,COADD_ID,INHIB_AVE,SMILES,HIT
0,CO-ADD:0303753,93.09,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(ccc3[N+](=O)[O-])s3)\C1=O)=O,1.0
1,CO-ADD:0307303,100.26,C(C(O)=O)(=CN(CC)c1c2cc(c(N(CC3)CCN3C(=S)NC(=O)c4ccccc4Cl)c1)F)C2=O,1.0
2,CO-ADD:0240410,100.0,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,1.0
3,CO-ADD:0242617,56.74,c(CN(CC1)CCN1C)(cc(Br)c(c23)cccn2)c3O,1.0
4,CO-ADD:0237159,100.66,C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O.Cl,1.0
5,CO-ADD:0241638,98.49,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,1.0
6,CO-ADD:0137133,101.02,c1cc(c(c(CCO)c([N+](=O)[O-])o2)c2cc3)c3cc1,1.0
7,CO-ADD:0164501,98.83,CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1,1.0
8,CO-ADD:0164754,53.62,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC,1.0
9,CO-ADD:0137610,99.14,O=C(NCCN1CCOCC1)C2=C(CCC3=CC=CC=C3)SC(NC(C4=CC(NC(C5=CC=C(OC)C=C5)=N)=CN4C)=O)=N2.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,1.0
10,CO-ADD:0164640,94.82,NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F.Cc1ccc(cc1)S(=O)(=O)O,1.0
11,CO-ADD:0137583,100.58,O=C(NCCN1CCOCC1)C2=C(CCC3=CC=CC=C3)SC(NC(C4=CC(NC(C5=CC(OC)=CC=C5)=N)=CN4C)=O)=N2.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,1.0
12,CO-ADD:0220122,69.99,[n+]([O-])(c(cccc1)c12)c(CO)c([n+]2[O-])CO,1.0
13,CO-ADD:0136975,100.15,[C@@H]1(O)[C@@]([C@@H](NC(=O)[C@](C)(N)[H])[C@@](C)(C(Cl)Cl)O2)(C(C2=O)=C(O)C[C@H]1O)[H],1.0
14,CO-ADD:0236706,98.5,[n+]1([O-])n(C(C)CC)nc(NC([H])=O)c1[N+](=O)[O-],1.0
15,CO-ADD:0236869,96.41,c1(ccc(C(OC(C)=O)OC(C)=O)s1)[N+](=O)[O-],1.0
16,CO-ADD:0221364,53.36,c1(c(ccn2)NCCCc3ccccc3)c2cc(cccc4)c4c1,1.0
17,CO-ADD:0290452,94.0,c1(C(O)=O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1.0
18,CO-ADD:0295965,96.69,c1([N+](=O)[O-])ncn(CCO)c1[N+](=O)[O-],1.0
19,CO-ADD:0295206,56.98,C12(C)C(C)(C)C(CC1OCC[N+](C)(C)CC(=O)OC3C(C)(C)C(CC34C)CC4)CC2.[Cl-],1.0
20,CO-ADD:0299548,90.03,[n+]12c(c(ccc1)c3)c(cc3)SCC2(C)C[Hg]Br.[Br-],1.0
21,CO-ADD:0292720,66.02,C1(N2C(S3)=NCCC2)=C3C(c(cccc4)c4C1=O)=O.Cl,1.0
22,CO-ADD:0292556,81.69,[n+]([O-])(c(cc(C)cc1)c12)c(C(C)=O)c([n+]2[O-])C,1.0
23,CO-ADD:0290446,99.21,c1(nonc1N)[N+](=O)[O-],1.0
24,CO-ADD:0318750,52.82,C(=O)(Nc(cccc1C2=NCCN2)c1)Nc(cccc3C4=NCCN4)c3,1.0
25,CO-ADD:0303057,100.62,[n+]([O-])(n(C)nc1[N+](=O)[O-])c1NCC=C,1.0
26,CO-ADD:0230906,100.2,c1(ccc(\C=N\NC(=O)c(cc2OC)cc(c2OC)OC)o1)[N+](=O)[O-],1.0
27,CO-ADD:0238636,100.02,CC1=C(C2=CC=C(C=C2)C3=CC=CC=C3)C(C)=C(C)C1C.NC4=NC(NC5=CC=CC=C5C)=N[Ir@](C)(N4)Cl,1.0
28,CO-ADD:0164431,91.67,CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(c(O)c3C)c(O)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c1=NC3(CCN(CC(C)C)CC3)N=c21,1.0
29,CO-ADD:0137636,85.52,c1(C(=O)NN=Cc(cc(Cl)cc2Br)c2O)nonc1N,1.0
30,CO-ADD:0136621,99.96,O=C1C(N)=C(C)C(C2=C1C(COC(N)=O)C(OC)(C3C(C4)N3C)N24)=O,1.0
31,CO-ADD:0135797,101.33,c1c(C=[N+](CCO)/[O-])oc([N+](=O)[O-])c1,1.0
32,CO-ADD:0135806,51.0,c1(N)nc2c(c3c(n(cc3)[H])cc2)c(N)n1,1.0
33,CO-ADD:0157745,54.71,OC1=C(CN2CCCC2)C=C(COC)C3=CC=CN=C13,1.0
34,CO-ADD:0165034,100.08,CC1C2C(O)C3C(N(C)C)C(=O)C(C(N)=O)=C(O)C3(O)C(O)=C2C(=O)c2c(O)cccc12,1.0
35,CO-ADD:0164650,100.16,CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCN(C)CC3.CS(=O)(=O)O,1.0
36,CO-ADD:0238635,98.28,CC1=C(C2=CC=C(C=C2)C3=CC=CC=C3)C(C)=C(C)C1C.NC4=NC(NC5=CC=C(C=C5)F)=N[Ir@](C)(N4)Cl,1.0
37,CO-ADD:0235983,58.03,c1(ccc(\C=N\c(ccc(c2I)C)c2)s1)[N+](=O)[O-],1.0
38,CO-ADD:0236505,100.0,c1(ccc(\C=N\c2ccc(cc2C(c3ccccc3)=O)Cl)s1)[N+](=O)[O-],1.0
39,CO-ADD:0164562,100.12,CN(C)C1C2CC3C(O)c4c(Cl)ccc(O)c4C(O)=C3C(=O)C2(O)C(O)=C(C(N)=O)C1=O,1.0
40,CO-ADD:0164399,97.59,COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC,1.0
41,CO-ADD:0164826,100.81,CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12,1.0
42,CO-ADD:0164891,98.12,C[C@H]1COc2c(c(F)cc3c2n1cc(C(O)=O)c3=O)C1(N)CC1,1.0
43,CO-ADD:0301784,78.29,[n+]1([O-])onc(cc2C(Cl)=O)c1cc2,1.0
44,CO-ADD:0149794,90.53,NC(C=1C#N)=N(C2=CC=CC=C2N1=O)=O,1.0
45,CO-ADD:0244457,89.6,N1(C)\C(=C\C=C\c2cc(c3ccccc3)cc(c4ccccc4)[o+]2)\C(c(cccc5)c15)(C)C,1.0
46,CO-ADD:0217091,101.08,N1(CCCCCCCCCC)C=CC(C=C1)=N.Br,1.0
47,CO-ADD:0241109,95.75,c(CN(CC1)CCO1)(cc(Br)c(c23)cccn2)c3O,1.0
48,CO-ADD:0240294,61.33,C(C#N)(C1c2scc(Br)c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,1.0
49,CO-ADD:0247666,85.71,c(cc1c2\C(=C\C=C(/C=C3)\c(cccc4)c4N3C)\C=N1)cc2.I,1.0
50,CO-ADD:0222847,100.27,[N+](=O)([O-])\C=C\c1ccc(cc1Cl)Cl,1.0
51,CO-ADD:0164474,92.69,CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(O)=C(C(N)=O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O.Cl,1.0
52,CO-ADD:0160212,93.87,N#CCS(C1=C([N+]([O-])=O)N=CN1C)=O,1.0
53,CO-ADD:0162414,95.01,C(NCCCCCCCCCCCC)(=O)c1ccc(cc1)NC(CCCCCCC)=O,1.0
54,CO-ADD:0235665,74.07,C(CCl)(=O)c1ccc(cc1)Oc(cc2)ccc2C(CCl)=O,1.0
55,CO-ADD:0232711,52.48,c12c(CCCC1\N=C/c(cc3)ccc3N(C)C)c4c(ccc(Br)c4)[nH]2,1.0
56,CO-ADD:0137617,82.91,CN1C=C(NC(C2=CC(NC(C3=CN=C(/C=C/C4=CC=C(OC)C=C4)C=C3)=O)=CN2C)=O)C=C1C(NCCN5CCC(O)CC5)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,1.0
57,CO-ADD:0164475,100.82,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,1.0
58,CO-ADD:0164386,101.07,CN1CCN(CC1)c1c(F)cc2c3c1SCCn3cc(C(O)=O)c2=O.Cl,1.0
59,CO-ADD:0164803,81.12,Oc1c(Cl)cc(Cl)c2cccnc12,1.0
60,CO-ADD:0164577,99.71,Nc1nc(cs1)C(=N/OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O.O.O.O,1.0
61,CO-ADD:0164876,94.67,CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c2c4nc5cc(C)ccn5c4c(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C,1.0
62,CO-ADD:0329404,92.72,C(C(O)=O)(=CN(CC)c1c2cc(c(N(CC3)CCN3C(=S)NC(=O)c4c(cccc4OC)OC)c1)F)C2=O,1.0
63,CO-ADD:0302989,88.96,c1(cc(Cl)c(c2c1O)cccn2)[N+](=O)[O-],1.0
64,CO-ADD:0300741,96.86,c1(nonc1NCn2cnnn2)[N+](=O)[O-],1.0
65,CO-ADD:0302470,53.09,c1([N+](=O)[O-])ncn(C)c1Sc2nnnn2C,1.0
66,CO-ADD:0307134,97.79,C(OC)(F)(C(F)(F)F)C(=O)Oc(c1c(cccn1)cc2[N+](=O)[O-])c2,1.0
67,CO-ADD:0302748,54.18,c1(nnc(C(F)(F)F)n1N)n2c(C)cc(C)n2.Cl,1.0
68,CO-ADD:0329979,98.06,N1(c2c(OC)ccc(OC)c2)C(=O)NC(\C(=C/c(ccc3[N+](=O)[O-])s3)\C1=O)=O,1.0
69,CO-ADD:0320014,92.65,c1(snc(OC)c1C#N)S(C)(=O)=O,1.0
70,CO-ADD:0164678,99.99,COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1.Cl,1.0
71,CO-ADD:0164995,99.27,COc1c(N2CCNC(C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1,1.0
72,CO-ADD:0164454,93.2,CON=C(C(=O)NC1C2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O)c1csc(N)n1.[Na+],1.0
73,CO-ADD:0217312,96.66,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\C(\Br)=C\c3ccccc3,1.0
74,CO-ADD:0164993,97.94,CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(C=NN4CCN(CC4)C4CCCC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C,1.0
75,CO-ADD:0164785,98.09,CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(C=NN4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C,1.0
76,CO-ADD:0164391,98.55,OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+]([O-])=O,1.0
77,CO-ADD:0217097,58.22,N1(CCCCCCCC)C=CC(C=C1)=N.Br,1.0
78,CO-ADD:0215283,51.74,S(=O)(=O)(c1ccc(cc1)\N=C\c(cc2)ccc2[N+](=O)[O-])Nc3nnc(CC)s3,1.0
79,CO-ADD:0234757,52.44,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2CC)N3CCNC(C)C3,1.0
80,CO-ADD:0238637,98.57,CC1=C(C2=CC=C(C=C2)C3=CC=CC=C3)C(C)=C(C)C1C.NC4=NC(NCCC5=CC=CC=C5)=N[Ir@](C)(N4)Cl,1.0
81,CO-ADD:0217322,88.11,c1(ccc(\C=N\c(ccc(c2N3)NC3=O)c2)o1)[N+](=O)[O-],1.0
82,CO-ADD:0164460,100.9,OCC1OC(CC1O)n1cc(F)c(=O)[nH]c1=O,1.0
83,CO-ADD:0164472,100.92,CON=C(C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1,1.0
84,CO-ADD:0153108,54.04,CN1C=C(NC(C2=CC(NC(C3=CN=C(C=CC=C4)C4=C3)=N)=CN2C)=O)C=C1C(NC5=CN(CCC(C)C)C(C(NCCCN(C)C)=O)=C5)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,1.0
85,CO-ADD:0149880,53.89,O=C1C(C(O)C)C2N1C(C(NC3=CC=C(C(O4)=NNC4=S)C=C3)=O)=C(SC5CC(C(N(C)C)=O)NC5)C2C.Cl,1.0
86,CO-ADD:0237248,99.38,NC(=N)Nc1ccc(c(Cl)c1)c2oc(cc2)c3ccc(NC(=N)N)cc3Cl.Cl.Cl,1.0
87,CO-ADD:0237325,68.88,NC(=N)Nc1ccc(cc1Cl)c2oc(cc2)c3ccc(N=C(N)N)c(Cl)c3.Cl.Cl,1.0
88,CO-ADD:0237354,99.91,COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2Cl)c1,1.0
89,CO-ADD:0237361,97.11,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C4=C(O)\C(=C/NN5CCN(C)CC5)\C(=N\C(=O)\C(=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)\C(=C4C(=C3C)O)O,1.0
90,CO-ADD:0286854,64.74,c1(NC2CCCCCCC2)sc(c(ccc3[N+](=O)[O-])n1)c3,1.0
91,CO-ADD:0294850,75.52,[n+]([O-])(c(cc(C)cc1)c12)c(C#N)c([n+]2[O-])N,1.0
92,CO-ADD:0252309,101.97,C(c(cc1)ccn1)(=O)N\N=C\C(\Br)=C/c2ccccc2,1.0
93,CO-ADD:0137581,93.25,O=C(NCCN1CCOCC1)C2=C(CCC3=CC=CC=C3)SC(NC(C4=CC(NC(C5=CC=C(/C=C/C6=CN=C(C=CC=C7)C7=C6)C=C5)=O)=CN4C)=O)=N2.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,1.0
94,CO-ADD:0258877,56.74,N12C(C(NC(Cc3ccccc3)=O)C1=O)SC(C)(C)C2C(=O)[O-].[Na+],1.0
95,CO-ADD:0294849,60.16,[n+]1([O-])onc(cc2C(O)=O)c1cc2,1.0
96,CO-ADD:0290684,93.15,c([N+](=O)[O-])(c1C)no[n+]1[O-],1.0
97,CO-ADD:0300068,86.89,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(ccc3[N+](=O)[O-])o3)\C1=O)=O,1.0
98,CO-ADD:0293311,75.57,c1(ccc(\C=C\C(O)=O)o1)[N+](=O)[O-],1.0
99,CO-ADD:0301515,94.21,c1([N+](=O)[O-])cc(cc(nsn2)c12)[N+](=O)[O-],1.0
100,CO-ADD:0311292,93.33,c1(c(Cl)cc(c(cccn2)c12)Cl)OC(=O)N3CCCCC3,1.0
101,CO-ADD:0221408,73.18,c1(ccc(\C=N/NC(=O)c2ccccc2[N+](=O)[O-])o1)[N+](=O)[O-],1.0
102,CO-ADD:0220077,100.19,c1(ccc(\C=N\NC(N)=O)o1)[N+](=O)[O-],1.0
103,CO-ADD:0233679,52.68,S(=O)(=O)(c1ccc(cc1)NC(CCl)=O)Nc2ncccn2,1.0
104,CO-ADD:0242701,99.04,c1(c(ccc2[N+](=O)[O-])o2)[nH]c(c(c3)n1)ccc3[N+](=O)[O-],1.0
105,CO-ADD:0232528,51.42,c(c(O)ccc1C(O)=O)(c1)\C=N\c2cccc(Cl)c2Cl,1.0
106,CO-ADD:0137607,78.4,CN1C=C(NC(C2=CC=C(/C=C/C3=CC4=NON=C4C=C3)C=C2)=O)C=C1C(NC5=CN(C)C(C(NCCN6CCOCC6)=O)=C5)=O.OC(C(F)(F)F)=O,1.0
107,CO-ADD:0137603,86.52,O=C(N([H])C1=CN(C)C(C(N(C2=CN(C)C(C(N([H])CCC(N)=N)=O)=C2)[H])=O)=C1)C3=CC=C(/C=C/C4=CC=CC(OC)=C4)C=C3.OC(C(F)(F)F)=O,1.0
108,CO-ADD:0247733,89.71,c12c(ccc(NN)n1)c(cc(Cl)c2O)Cl,1.0
109,CO-ADD:0137586,99.71,CN1C=C(NC(C2=CC(NC(C3=CC=C(/C=C/C4=CC(OC)=CC=C4)C=C3)=O)=CN2C)=O)C=C1C(NCCN5CCC(O)CC5)=O.OC(C(F)(F)F)=O,1.0
110,CO-ADD:0292305,96.51,N1(c2ccccc2C)C(=O)NC(\C(=C/c(ccc3[N+](=O)[O-])o3)\C1=O)=O,1.0
111,CO-ADD:0293003,95.28,C(=O)(Nc1ccccc1)C(CCl)=O,1.0
112,CO-ADD:0328018,55.14,N(c1c(cccc1)NC(CC(c(cc2)ccc2C(C)(C)C)CC3=O)=C34)(C(C(C)C)=O)C4c(cc5)ccn5,1.0
113,CO-ADD:0332128,86.78,c12c(CCCN1)c(Cl)cc(Cl)c2O,1.0
114,CO-ADD:0137116,100.84,N1(C)C=CC(c(cc([N+](=O)[O-])c2)c1c2)=N/c(ccc3C(Nc(ccc(c4)N=C(/C=CN5C)C=C5)c4)=O)cc3,1.0
115,CO-ADD:0149881,90.63,FC1=CC2=C(C=C1N3CCNCC3)N(C4CC4)C([H])=C(C(NC5=CC=C(C6=NNC(O6)=S)C=C5)=O)C2=O.Cl,1.0
116,CO-ADD:0136969,99.56,c1cc2c(ccc(nc(N)n3)c2c3N)n1Cc4ccc(N)cc4.Cl.Cl,1.0
117,CO-ADD:0244211,61.29,c1(ccc(\C=N\c(cccc2[N+](=O)[O-])c2)s1)[N+](=O)[O-],1.0
118,CO-ADD:0244719,100.98,N1(C(=O)CSC1=S)c(c2)cc(cc2[N+](=O)[O-])[N+](=O)[O-],1.0
119,CO-ADD:0256575,85.18,B1(O)c2c(CO1)cccc2,1.0
120,CO-ADD:0217883,96.78,c1(ccc(\C=N\c(cccc2NC(C)=O)c2)s1)[N+](=O)[O-],1.0
121,CO-ADD:0234274,81.24,C(=N\NC(CNC(=O)c1ccco1)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],1.0
122,CO-ADD:0164295,74.97,CN1CCN(C2=C(OCC3C)C(N3C=C(C(NC4=CC=C(C(O5)=NNC5=S)C=C4)=O)C6=O)=C6C=C2F)CC1.Cl,1.0
123,CO-ADD:0238634,98.85,CC1=C(C2=CC=C(C=C2)C3=CC=CC=C3)C(C)=C(C)C1C.NC4=NC(NC5=CC=CC=C5)=N[Ir@](C)(N4)Cl,1.0
124,CO-ADD:0155748,98.59,O=C(NC1=C(C=CC=C2)C2=NC3=C1C=CC=C3)C(C(F)(F)F)(F)OC(F)(F)C(F)(F)C(F)(F)F,1.0
125,CO-ADD:0290316,94.15,C(C(OCC)=O)(=CN(CC)c1c2cc(c(N(CC3)CCN3C)c1)F)C2=O,1.0
126,CO-ADD:0293916,70.6,C(=C(/O)\c1ccc(cc1)Br)/C(=O)C(F)(F)F,1.0
127,CO-ADD:0286501,65.41,c1([nH]nc2N=NN3CCCCC3)c2c(cc(C)n1)C,1.0
128,CO-ADD:0294587,94.21,[N+](=O)([O-])c1ccc(c2c1cccn2)NCCN,1.0
129,CO-ADD:0320841,56.47,n1(CC(CNCCc2ccccc2)O)c3c(c(CCCC4)c14)cccc3,1.0
130,CO-ADD:0302181,100.41,[N+](=O)([O-])c1ccccc1C(OC)C[Hg]Cl,1.0
131,CO-ADD:0137276,101.44,CC(N([H])C(=O)C1N([H])C(=O)c2nc(c(nc2)cc3)cc3)C(=O)N(C(C(=O)N(C(C(C)C)C(OC4)=O)C)CSC(SC)C(N(C(=O)C(N([H])C(=O)C4N([H])C(=O)c5nc(c(nc5)cc6)cc6)C)C)C(=O)N(C(C(C)C)C(OC1)=O)C)C,1.0
132,CO-ADD:0136580,100.33,C1(C)=C(N)C(=O)C2=C(N(C[C@]([H])(N3)[C@]34[H])[C@@]4(OC)[C@@H]2COC(N)=O)C1=O,1.0
133,CO-ADD:0231578,52.27,n1(nnc(C)c1C(=O)N\N=C\c(ccc2[N+](=O)[O-])o2)c3nonc3N,1.0
134,CO-ADD:0227773,69.02,C1(C2C(C)CC3)(C3C(C)C(O4)=O)C4OC(CC2)(C)OO1,1.0
135,CO-ADD:0234366,70.86,[n+]1(C)c(C)cc(cc1c2ccc(cc2)Cl)c3ccc(cc3)Cl,1.0
136,CO-ADD:0166187,62.55,c1(ccc(\C=N\NC(COc2c(C)cccc2C)=O)o1)[N+](=O)[O-],1.0
137,CO-ADD:0164999,99.54,CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O,1.0
138,CO-ADD:0164602,99.45,C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O,1.0
139,CO-ADD:0155692,95.89,O=C(NCCCCCCCCCCCC)CCC1=CC=C(C)O1,1.0
140,CO-ADD:0223328,87.03,S(=O)(=O)(c1ccc(cc1)\N=C\c(cc2)ccc2OC)Nc3cc(OC)ncn3,1.0
141,CO-ADD:0137604,88.16,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC(OC)=CC=C3)=O)C=C1C(NC4=CN(C)C(C(NCCN(C)C)=O)=C4)=O.OC(C(F)(F)F)=O,1.0
142,CO-ADD:0137574,100.48,CC(C)CCC1=C(C(NCCCN(C)C)=O)N=C(NC(C2=CC(NC(C3=CC(NC(N)=N)=CN3C)=O)=CN2C)=O)S1.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,1.0
143,CO-ADD:0215284,63.97,S(=O)(=O)(c1ccc(cc1)\N=C\c2ccccc2O)Nc3nnc(CC)s3,1.0
144,CO-ADD:0293851,59.06,c(c(N)ncc1[N+](=O)[O-])(c1)[N+](=O)[O-],1.0
145,CO-ADD:0304250,100.55,c(ccc1[N+](=O)[O-])(o1)C2N(CCCN2Cc3ccccc3)Cc4ccccc4,1.0
146,CO-ADD:0319383,64.75,[N+](=O)([O-])c(c1)c(cccn2)c2c(O)c1CN(CC3C)CC(O3)C,1.0
147,CO-ADD:0288940,62.99,n12c(c3c(Oc(cc(Br)cn4)c14)cccc3)cc(CN(CC5)CCO5)n2,1.0
148,CO-ADD:0288832,97.03,c1(C(NCC#C)=O)oc([N+](=O)[O-])cc1,1.0
149,CO-ADD:0290299,97.04,C1(NC(=O)C(C(=O)c(cc2F)c(N34)c(c2N(CC5)CCN5C)OCN3C)=C4)=C(C)N(N(c6ccccc6)C1=O)C,1.0
150,CO-ADD:0136780,80.68,c1c(c(ccc2)ccc1Sc(ccc(nc(N)n3)c4c3N)c4)c2.c1c(c(ccc2)ccc1Sc(ccc(nc(N)n3)c4c3N)c4)c2.CCO,1.0
151,CO-ADD:0219333,100.61,C(CCCC(CCCCCCCCCC)=O)(NCCCCCCCCCCCC)=O,1.0
152,CO-ADD:0240164,100.15,[N+](=O)([O-])c1ccc(c2c1cccn2)OC(=O)c3ccc(cc3Cl)Cl,1.0
153,CO-ADD:0238633,99.39,CC1=C(C2=CC=C(C=C2)C3=CC=CC=C3)C(C)=C(C)C1C.NC4=NC(N(C)C)=N[Ir@](C)(N4)Cl,1.0
154,CO-ADD:0137575,100.46,CN1C=C(NC(C(C=N2)=CC=C2/C=C/C(C=C3)=CC=C3OC)=O)C=C1C(NC4=CN(C)C(C(NCCN5CCOCC5)=O)=C4)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,1.0
155,CO-ADD:0254478,100.74,c1(ccc(\C=N\c2ccccc2C(=O)Nc(cc3)ccc3NC(C)=O)o1)[N+](=O)[O-],1.0
156,CO-ADD:0248218,97.78,c1(\N=C\c(ccc2[N+](=O)[O-])o2)sc(c3c1C(OCC)=O)CCC3,1.0
157,CO-ADD:0137609,83.27,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC(OC)=CC=C3)=O)C=C1C(NC4=CN(CCCC5=CC=CC=C5)C(C(NCCN6CCCCC6)=O)=C4)=O.OC(C(F)(F)F)=O,1.0
158,CO-ADD:0137606,79.13,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC(C=CC=C4)=C4N=C3)=O)C=C1C(NC5=CN(C)C(C(NCC[N+]6([O-])CCCCC6)=O)=C5)=O.OC(C(F)(F)F)=O,1.0
159,CO-ADD:0301039,96.24,[n+]1([O-])onc(ccc(c2)[N+](=O)[O-])c12,1.0
160,CO-ADD:0329168,96.96,C(C(O)=O)(=CN1CC)C(=O)c(c12)cnc(N(CC3)CCN3C(=S)Nc(cc4)ccc4C(OC)=O)n2,1.0
161,CO-ADD:0259180,92.33,C(C(O)=O)(=CN(CC)c(c12)ccc(c1)[N+](=O)[O-])C2=O,1.0
162,CO-ADD:0257262,95.09,N12C(SCC(CSc3nnc(C)s3)=C1C(=O)[O-])C(C2=O)NC(=O)Cn(cnn4)n4.[Na+],1.0
163,CO-ADD:0220163,71.98,c1(ccc(\C=N\NC(COc(cccc2[N+](=O)[O-])c2)=O)o1)[N+](=O)[O-],1.0
164,CO-ADD:0222544,52.57,N(=C\c(cc(I)cc1I)c1O)/c2c(C)cccc2O,1.0
165,CO-ADD:0286691,70.73,c1(c(O)ccc2\C=N\NC(CCc3ccccc3)=O)c2cccn1,1.0
166,CO-ADD:0290455,52.29,c1(C(N)=O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1.0
167,CO-ADD:0164406,101.15,CCN1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1,1.0
168,CO-ADD:0164809,100.79,CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O.[Na+],1.0
169,CO-ADD:0162412,81.41,C(=O)(c1cccc(C)c1)Nc(cccc2C(NCCCCCCCCCCCC)=O)c2,1.0
170,CO-ADD:0149620,59.1,NC1=C2C(CCCC2)=[NH+]C3=C1C4=CC=CC=C4N3.[Cl-],1.0
171,CO-ADD:0137633,75.06,c1(C(=O)NN=Cc2ccccc2O)nonc1N,1.0
172,CO-ADD:0240321,101.07,c(ccc1C(=O)N(CC2)CCN2C)(o1)[N+](=O)[O-].Cl,1.0
173,CO-ADD:0230014,97.83,C1(\C(\Br)=C\c2ccccc2)OC(CC)(CC)c3c(cccc3)N1,1.0
174,CO-ADD:0323275,89.6,c(Sc(cc1)ccc1Cl)(c(F)c(F)nc2N(CC3)CCN3)c2F,1.0
175,CO-ADD:0320560,89.55,[nH]1c(C)c(c(c(ccc2Cl)Cl)c12)CCN,1.0
176,CO-ADD:0329411,59.56,C(C(O)=O)(=CN1CC)C(=O)c(c12)cnc(N(CC3)CCN3C(=S)NC(=O)c(ccc(n4)Cl)c4)n2,1.0
177,CO-ADD:0137197,102.37,n1c(c2ccc(C(C(OC)=C3N)=O)c(C3=O)n2)c(N)c(c4ccc(OC)c(OC)c4O)c(C)c1C(O)=O,1.0
178,CO-ADD:0137075,99.21,[Cl-].C(/c(ccc(N(CC)CC)c1)c1)(c(ccc(N(CC)CC)c2)c2)=C(/C=CC3=[N+](CC)/CC)C=C3,1.0
179,CO-ADD:0231568,60.66,c(cc(I)cc1I)(\C=N\c2c(cccn2)O)c1O,1.0
180,CO-ADD:0164430,98.73,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,1.0
181,CO-ADD:0164427,88.08,Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,1.0
182,CO-ADD:0164880,93.71,Nc1nc(cs1)C(=N\O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O,1.0
183,CO-ADD:0165032,94.28,CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(O)=C3C(=O)[C@]2(O)C(O)=C(C(N)=O)C1=O)N(C)C.Cl,1.0
184,CO-ADD:0164827,97.86,Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)Cn2cnnn2)C3=O)C([O-])=O)s1.[Na+],1.0
185,CO-ADD:0164434,98.17,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)c2ccccc2)C(=O)C1=O.[Na+],1.0
186,CO-ADD:0164463,100.67,Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,1.0
187,CO-ADD:0164429,83.21,CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C([O-])=O.[Na+],1.0
188,CO-ADD:0154368,58.21,OC1=CC=C(CCl)C2=CC=C[N+]([H])=C21.[Cl-],1.0
189,CO-ADD:0331811,98.1,c1(c(Cl)ccc(Cl)n1)C(NCC[N+]2(CCCCC2)CCCCCCCCCCCC)=O.[Br-],1.0
190,CO-ADD:0329400,94.83,C(C(O)=O)(=CN(CC)c1c2cc(c(N(CC3)CCN3C(=S)Nc(cc4)ccc4C(C)=O)c1)F)C2=O,1.0
191,CO-ADD:0256956,93.81,c1(ccc(\C=N\c(cc2)ccc2F)o1)[N+](=O)[O-],1.0
192,CO-ADD:0283469,84.5,[N+](=O)([O-])c1cc(cccn2)c2c(O)c1,1.0
193,CO-ADD:0254435,100.36,[n+]1([O-])n(C)nc(NCCC#N)c1[N+](=O)[O-],1.0
194,CO-ADD:0137573,100.38,O=C(NCCN1CCOCC1)C2=CC(NC(C3=CC(NC(C4=CN=C(/C=C/C5=CC=C(OC)C=C5)C=C4)=O)=CN3C)=O)=CN2CCCC6=CN(CCC7=CC=CC=C7)N=N6,1.0
195,CO-ADD:0249969,94.2,C(F)(C(NCCC(F)([N+](=O)[O-])[N+](=O)[O-])=O)([N+](=O)[O-])[N+](=O)[O-],1.0
196,CO-ADD:0247722,77.13,N(/NC(SC)=S)=C(/c1ccccc1)\c2ccccn2,1.0
197,CO-ADD:0301783,92.24,N1=C(S)SSC1=N,1.0
198,CO-ADD:0302872,99.56,[n+]1([O-])onc(cc2C(N)=O)c1cc2,1.0
199,CO-ADD:0252482,100.4,c1(c2ccc(cc2)\N=C\c(ccc3[N+](=O)[O-])o3)sc4c(ccc(C)c4)n1,1.0
200,CO-ADD:0253934,80.76,c(c(Cl)c(C#N)nc1Cl)(S2)c1SC2=O,1.0
201,CO-ADD:0294851,80.96,c1(no[n+]2[O-])c2cccc1[N+](=O)[O-],1.0
202,CO-ADD:0293556,53.27,c1(c(C)cc(n2)C)c2nc(ccc(C)c3)c3c1N,1.0
203,CO-ADD:0329413,90.32,C(C(O)=O)(=C1)C(=O)c(c2N1C3CC3)cc(c(N(CC4)CCN4C(=S)NC(=O)c5ccc(cc5)Cl)c2)F,1.0
204,CO-ADD:0164296,85.55,FC1=CC2=C(N(C3CC3)C=C(C(NC4=CC=C(C(O5)=NNC5=S)C=C4)=O)C2=O)C(OC)=C1N6CC7CCCNC7C6.Cl,1.0
205,CO-ADD:0149635,72.09,ClCC(C=C1)=C2C(N=CC=C2)=C1OC,1.0
206,CO-ADD:0137611,76.98,CN1C=C(NC(C(C=C2)=CN=C2/C=C/C3=CC=C(OC)C=C3)=O)C=C1C(NC4=CN(CCCC5=CC=CC=C5)C(C(NCCN6CCCCC6)=O)=C4)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,1.0
207,CO-ADD:0137608,99.63,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC(C=CC=C4)=C4N=C3)=O)C=C1C(NC5=CN(CCCC6=CC=CC=C6)C(C(NCCN7CCOCC7)=O)=C5)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,1.0
208,CO-ADD:0249566,71.24,N1(\N=C\c(ccc2[N+](=O)[O-])o2)C(=O)C3C(C4C5(CC5)C3C=C4)C1=O,1.0
209,CO-ADD:0252627,91.3,C(/C#N)(=C/N=C(\C=C1)/C=CN1CCCCCCCCCCCCCCCC)\C(=O)C(OCC)=O,1.0
210,CO-ADD:0285542,57.46,C(=C(/C1CCN2CC1)\C2)(/c3ccc(Cl)s3)\c4ccc(Cl)s4.Cl,1.0
211,CO-ADD:0259579,61.62,C(C1CCN2CC1)(C2)(OC(C)=O)C#N.Cl,1.0
212,CO-ADD:0286500,88.29,c1([nH]nc2N=NN(CC)CC)c2c(cc(C)n1)C,1.0
213,CO-ADD:0157564,87.62,[N+]1(C2=NON=C2N3CCCCC3)=NC4=NON=C4[N-]1,1.0
214,CO-ADD:0160032,88.28,BrC(/C=N/NC1=NC(N2CCOCC2)=NC(N3CCOCC3)=N1)=C/C4=CC=CC=C4,1.0
215,CO-ADD:0149718,65.39,NC1=NNC2=C1C(C3=CC=CC=C3)=C4C(NN=C4N)=N2,1.0
216,CO-ADD:0223354,96.39,c1(ccc(\C=N\N=C\c2ccc(cc2O)O)o1)[N+](=O)[O-],1.0
217,CO-ADD:0286495,51.23,c1(cn[nH]c1C(NN)=O)[N+](=O)[O-],1.0
218,CO-ADD:0137605,96.85,CN1C=C(NC(C2=CC(NC(C3=CC=C(/C=C/C4=CC=C(OC)C=C4)C=C3)=O)=CN2C)=O)C=C1C(N5CCC(OCCOC)CC5)=O.S(O)(O)(=O)=O,1.0
219,CO-ADD:0293292,100.47,C12(C)C(C)(C)C(CC1OCC[N+](C)(C)CC(OCCCCCCCCC)=O)CC2.[Cl-],1.0
220,CO-ADD:0320564,52.15,[nH]1c(C)c(c2c1c(C)ccc2F)CCN,1.0
221,CO-ADD:0304583,52.55,c(ccc1[N+](=O)[O-])(o1)C2N(CCCN2Cc(cc3)ccc3OC)Cc(cc4)ccc4OC,1.0
222,CO-ADD:0136670,55.61,c1ccn(c(N=O)c(c2cc([N+](=O)[O-])ccc2)n3)c3n1,1.0
223,CO-ADD:0237360,100.58,C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O,1.0
224,CO-ADD:0244690,51.55,C(F)(F)(C(C)OS(=O)(=O)c1ccc(cc1)N)[N+](=O)[O-],1.0
225,CO-ADD:0244702,99.8,N(=C\C(\Br)=C\c1ccccc1)/N(c2ccccc2)c3ccccc3,1.0
226,CO-ADD:0235690,95.36,c1(nc2)n(cc2[N+](=O)[O-])nc(N)n1,1.0
227,CO-ADD:0295082,75.93,c1(c2ccc3c1OC(=O)C=C3C)\C(=N/O)\C(O2)=O,1.0
228,CO-ADD:0258946,90.68,c1(ccn(C)n1)C(=O)N\N=C\c(ccc2[N+](=O)[O-])o2,1.0
229,CO-ADD:0255097,97.91,n1(C)c(cc2)c(c3c1ccc(c3)[N+](=O)[O-])cn2,1.0
230,CO-ADD:0137587,99.97,CN1C=C(NC(C2=CC(NC(C3=CN=C(/C=C/C4=CC=C(OC)C=C4)C=C3)=O)=CN2C)=O)C=C1C(N5CCC(OCCOC)CC5)=O.S(O)(O)(=O)=O,1.0
231,CO-ADD:0252312,104.43,c(ccc(n1)C)(c1)C(=O)N\N=C\C(\Br)=C\c2ccccc2,1.0
232,CO-ADD:0290730,82.74,c1(c(Br)cc(c(cccn2)c12)Br)OC(=O)c3c(Cl)ccc(c3)[N+](=O)[O-],1.0
233,CO-ADD:0295205,55.38,C12(C)C(C)(C)C(CC1OCC[N+](C)(C)CC(=O)OC3CC(C)CCC3C(C)C)CC2.[Cl-],1.0
235,CO-ADD:0155065,94.04,NC1=NON=C1[N+]2=NC3=NON=C3[N-]2,1.0
236,CO-ADD:0137602,77.63,CN1C=C(NC(C2=CC=C(/C=C/C3CC3)C=C2)=O)C=C1C(NC4=CN(C)C(C(NCCN5CCOCC5)=O)=C4)=O.OC(C(F)(F)F)=O,1.0
237,CO-ADD:0255012,64.15,C(C(OC)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,1.0
238,CO-ADD:0253061,103.66,c1(ccc(\C=N\c2ccccc2)o1)[N+](=O)[O-],1.0
239,CO-ADD:0137582,75.68,O=C(NCCN1CCOCC1)C2=C(CCC3=CC=CC=C3)SC(NC(C4=CC(NC(C5=CN=C(/C=C/C6=CC=C(OC)C=C6)C=C5)=O)=CN4C)=O)=N2.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,1.0
240,CO-ADD:0137576,100.25,O=C(N([H])C1=CN(C)C(C(N(C2=CN(C)C(C(N([H])CCC(N)=N)=O)=C2)[H])=O)=C1)C3=CC=C(/C=C/C4=CC=C(OC)C=C4)N=C3.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,1.0
241,CO-ADD:0227808,104.43,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(ccc(c2OC)OCC#C)c2)c1,0.0
242,CO-ADD:0229460,103.66,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\NNC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
243,CO-ADD:0229094,102.37,C(=O)(c1ccc(cc1)Cl)Nc(cc2)ccc2C(=O)N\N=C\c3cc(OC)ccc3O,0.0
244,CO-ADD:0229102,101.97,C(=O)(Nc(cccc1C(=O)N\N=C\c(cc2)ccc2Cl)c1)c3ccccc3F,0.0
245,CO-ADD:0227846,101.44,N1(c2ccc(cc2)OC)C(=O)c3c(cc(cc3)Oc(cc4)ccc4N5C(=O)c(c6C5=O)ccc(C(O)=O)c6)C1=O,0.0
246,CO-ADD:0229080,101.33,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\c(cc(Br)cc3Br)c3O,0.0
247,CO-ADD:0227301,101.15,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C/c(cc2)cc(c2OC(=O)c3ccc(cc3)Br)OC,0.0
248,CO-ADD:0227560,101.08,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(COc3cccc(C)c3)=O,0.0
249,CO-ADD:0227168,101.07,C(=O)(OCC(C)C)c1ccc(cc1)NC(CCCCC)=O,0.0
250,CO-ADD:0229081,101.07,c(N)(c(I)c1)c(I)cc1C(OCC)=O,0.0
251,CO-ADD:0227251,101.02,CC(C)(C(C1)C2)C2[C@H](CSc3n(C)cnn3)C1,0.0
252,CO-ADD:0227899,100.98,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(C(C)(C)C)s3,0.0
253,CO-ADD:0227615,100.92,N(=C\c1cccc(F)c1O)/c2cc(C)c(cc2O)C,0.0
254,CO-ADD:0231283,100.9,C(=O)(Nc1cccc(Cl)c1C)c2ccccc2Cl,0.0
255,CO-ADD:0227567,100.84,N(=C\c1ccccc1O)/c2cc(CC)ccc2O,0.0
256,CO-ADD:0229717,100.82,C(COc(cc1)ccc1C)(=O)N\N=C\c2cccc(O)c2,0.0
257,CO-ADD:0227261,100.81,C(C1(C)C)(C[C@@H](S(O)N)[C@@](O)(C)C2)C12,0.0
258,CO-ADD:0227253,100.79,CC(C)(C(C1)C2)C2[C@@H](CSc3n(c4ccccc4)c(c5ccccc5)nn3)C1,0.0
259,CO-ADD:0227876,100.74,S(NCCNc1cc(Cl)ccc1[N+](=O)[O-])(=O)(=O)c2ccc(cc2)Cl,0.0
260,CO-ADD:0229580,100.67,c1(C(=O)c2ccc(cc2)Oc3ccccc3)coc(ccc(O)c4)c14,0.0
261,CO-ADD:0227319,100.66,N(=C(/C)\c1ccc(cc1)C)/NC(COc2ccc(cc2OC)Br)=O,0.0
262,CO-ADD:0227334,100.65,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(ccc(c3OC)OC)c3,0.0
263,CO-ADD:0231316,100.62,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2Br)\C=C\C(=O)Oc(cc3)ccc3\C=N\c(cc4)ccc4Br,0.0
264,CO-ADD:0227610,100.61,C1(=O)N(c(cc2)ccc2[N+](=O)[O-])Cc(ccc(OC)c3OC)c13,0.0
265,CO-ADD:0231335,100.58,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)C)CC(=O)N\N=C\c(cc3)ccc3OCc4ccccc4Cl,0.0
266,CO-ADD:0231250,100.58,c1(c(Cl)ccc(Cl)c1)NC(CCc2ccccc2)=O,0.0
267,CO-ADD:0231220,100.55,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(I)c1)C(=O)Nc(cc2)ccc2CC,0.0
268,CO-ADD:0227612,100.48,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c4cccc(F)c4O,0.0
269,CO-ADD:0231337,100.47,C(=O)(C(C)(C)C)Nc(cccc1C#C)c1,0.0
270,CO-ADD:0229723,100.46,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(COc(cc3)ccc3C)=O,0.0
271,CO-ADD:0229690,100.41,C(CNc1ccc(cc1Br)Br)(=O)N\N=C(/C)\CCc2ccccc2,0.0
272,CO-ADD:0227885,100.4,N1(c2cccc(Br)c2)C(=O)C(C3C1=O)C(C=C4)C5(C34)CC5,0.0
273,CO-ADD:0227335,100.38,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(ccc(c3O)O)c3,0.0
274,CO-ADD:0229077,100.36,C(=O)(N\N=C\c1cccc(OC)c1O)c2ccc(cc2)NC(CCC)=O,0.0
275,CO-ADD:0229724,100.33,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(COc2ccc(cc2Cl)Cl)=O,0.0
276,CO-ADD:0229664,100.27,n1c(c(cc2)ccc2c3ccccc3)csc1Nc4cccc(OC)c4,0.0
277,CO-ADD:0231781,100.26,N(\C(\C(O1)=O)=C/c2c(OCC)ccc(cccc3)c23)=C1c(ccc(c45)OCO4)c5,0.0
278,CO-ADD:0229226,100.25,C(CCCC(=O)Nc(cc1)ccc1Br)(=O)Nc(cc2)ccc2Br,0.0
279,CO-ADD:0229205,100.2,N1(c2cccc(C)c2)C(=O)c(c3C1=O)ccc(C(OCCCC)=O)c3,0.0
280,CO-ADD:0231734,100.19,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/CC)\Nc(cc2)ccc2CC)[N+](=O)[O-],0.0
281,CO-ADD:0227358,100.16,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNc2ccc(cc2Br)Br)=O,0.0
282,CO-ADD:0229260,100.15,C(=N)(N1CCCCC1)\C(\C#N)=N\Nc(cccc2C(F)(F)F)c2,0.0
283,CO-ADD:0227423,100.15,c1(\C=N\NC(CNc2ccc(cc2Br)Br)=O)cc(OC)ccc1O,0.0
284,CO-ADD:0229589,100.12,n1c2c(oc1c(cccc3NC(=O)c4cc(Cl)ccc4Cl)c3)cc(C)c(C)c2,0.0
285,CO-ADD:0229577,100.08,c1(coc(ccc(OC)c2)c12)C(=O)c3cccs3,0.0
286,CO-ADD:0227061,100.02,C(=N/NC(COc1ccccc1C)=O)(/c2c(N3C)cccc2)\C3=O,0.0
287,CO-ADD:0229078,100.0,c1(cc(OC)cc(\C=N\NC(=O)c2ccccc2NC(=O)c3ccc(cc3)F)c1O)[N+](=O)[O-],0.0
288,CO-ADD:0231190,100.0,c1(cc(ccc1C(O)=O)NC(CCCCCCCCCCC)=O)C(O)=O,0.0
289,CO-ADD:0229687,99.99,c1(NCC(=O)N\N=C\c(ccc(c2O)O)c2)c(Br)cc(cc1Br)Cl,0.0
290,CO-ADD:0227879,99.97,S(Cc1ccccc1)(NCCCNc(cc2)c(Cl)cc2[N+](=O)[O-])(=O)=O,0.0
291,CO-ADD:0227117,99.96,n1ncn(Cc(ccc(c2OC)O)c2)n1,0.0
292,CO-ADD:0227417,99.91,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc2ccccc2OC)=O,0.0
293,CO-ADD:0227283,99.8,c1(\C=N\NC(COc2ccc(cc2OC)Br)=O)cc(Br)ccc1OC,0.0
294,CO-ADD:0227954,99.71,c1(c(O)c(\C=N\NC(COc2ccc(cc2OC)Br)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
295,CO-ADD:0222116,99.71,S(c1ccccc1)(=O)(=O)NCc(ccc(c23)OCO2)c3,0.0
296,CO-ADD:0222286,99.63,c1(ccccc1Br)C(=O)NCC(=O)N\N=C(/C)\C=C\c2ccccc2,0.0
297,CO-ADD:0222675,99.56,C12(CC(CC3C1)CC(C3)C2)C(=O)Nc4cccc(CCCC5)c45,0.0
298,CO-ADD:0222143,99.56,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(CNc(ccc(c34)cccc3)c4)=O,0.0
299,CO-ADD:0220174,99.54,N(=C\c(cccc1Oc2ccccc2)c1)/NC(CCCCCCCCCCCCC)=O,0.0
300,CO-ADD:0226835,99.45,C1(=N2)N(c3c(cccc3)N=C1Oc(cc4)ccc4C)C(N2CC(=O)Nc(ccc(c56)OCO5)c6)=O,0.0
301,CO-ADD:0225979,99.39,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(Cc4onc(c5ccc(cc5)Cl)n4)C2=O,0.0
302,CO-ADD:0225987,99.38,n12c(ccc(c3ccc(cc3)C)n1)nnc2CCC(=O)NCc4cccc(OCC)c4,0.0
303,CO-ADD:0226599,99.27,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc(ccc(c4C)C)c4,0.0
304,CO-ADD:0226049,99.21,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4C)C(N2CC(=O)Nc(cccc5C(C)C)c5)=O,0.0
305,CO-ADD:0226040,99.21,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)NCc4ccccc4Cl)=O,0.0
306,CO-ADD:0226029,99.14,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc(ccc(c4Cl)C)c4)=O,0.0
307,CO-ADD:0226053,99.04,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4)C(N2CC(=O)NCc(cc5)ccc5OC)=O,0.0
308,CO-ADD:0226404,98.85,S(=O)(=O)(c1ccc(cc1)CCC)Nc(ccc(n2c3)nn3)n2,0.0
309,CO-ADD:0226540,98.83,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)c4ccccc4Cl,0.0
310,CO-ADD:0226788,98.73,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4cccc(F)c4)c(nn1)C(C)C,0.0
311,CO-ADD:0225956,98.59,N12C(C=CC(c3ccc(cc3)C)=N1)=NN(Cc4c(cccc4Cl)F)C2=O,0.0
312,CO-ADD:0225351,98.57,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc5cc(C)ccc5OC,0.0
313,CO-ADD:0226512,98.55,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(c4ccccc4)=O,0.0
314,CO-ADD:0226504,98.5,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)N(CC4)CCN4c5ccccc5OC,0.0
315,CO-ADD:0226117,98.49,S(=O)(=O)(N(Cc(cc1)ccc1C)c(cc2)ccc2C(C)C)c3cccn(cnn4)c34,0.0
316,CO-ADD:0226549,98.28,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)SCC(=O)c4ccc(cc4)OC,0.0
317,CO-ADD:0225936,98.17,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)N(CC4)CCN4c5ccccc5)C2=O,0.0
318,CO-ADD:0226808,98.12,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(ccc(c4Cl)Cl)c4)c(nn1)C(C)C,0.0
319,CO-ADD:0225960,98.1,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(Cc4cccc(F)c4)C2=O,0.0
320,CO-ADD:0226864,98.09,N1(c(ccs2)c2C(N3CCC)=O)C3=NN(CC(c4ccccc4)=O)C1=O,0.0
321,CO-ADD:0218678,98.06,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1F)c2cccc(cccc3)c23,0.0
322,CO-ADD:0218167,97.94,C(=O)(N\N=C\c(cccc1Oc2ccccc2)c1)c3ccc(cc3)OC,0.0
323,CO-ADD:0218583,97.91,N(=C\c(ccc(c1OC)OC)c1)/NC(CCC(CCCCCCC)O)=O,0.0
324,CO-ADD:0218055,97.86,c1(Br)ccc(\C=N\c2cc3c(cc2\N=C\c(ccc4Br)o4)cccc3)o1,0.0
325,CO-ADD:0218095,97.83,C(=O)(NCc(cccn1)c1)c2ccc(c3c2)cccc3,0.0
326,CO-ADD:0218098,97.79,N1(c2ccccc2)C(=O)C(CC1=O)Nc3cccc(c3)OC(=O)c(cc4)ccc4[N+](=O)[O-],0.0
327,CO-ADD:0218641,97.78,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c(cc3)ccc3Cl)c1,0.0
328,CO-ADD:0218077,97.59,s1c(N)nnc1CC(=O)N\N=C\c(c2c([nH]3)cccc2)c3,0.0
329,CO-ADD:0218685,97.11,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c1Cl)Cl)c1)C(=O)Nc2cccc(cccc3)c23,0.0
330,CO-ADD:0218117,97.04,C(C#N)(C1=O)=C(c(cc2)ccc2C(C)C)NC(=S)N1,0.0
331,CO-ADD:0218526,97.03,C(=O)(N\N=C\c(cc1)ccc1I)C(=O)Nc2ccccc2CC,0.0
332,CO-ADD:0218542,96.96,N1(CNc2ccccc2OC)C(=O)\C(\SC1=O)=C\c3ccccc3,0.0
333,CO-ADD:0218182,96.86,c1(CC(OCC)=O)[nH]c(c2n1)cccc2,0.0
334,CO-ADD:0218531,96.85,[N+](=O)([O-])c1ccc(c(\C=N\NC(CSc2ccccc2C)=O)c1)C,0.0
335,CO-ADD:0218782,96.78,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c(cc3)ccc3O,0.0
336,CO-ADD:0218745,96.69,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(=O)c(cc2)ccc2C(C)(C)C,0.0
337,CO-ADD:0218785,96.66,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1CC)C(=O)Nc2ccccc2,0.0
338,CO-ADD:0218735,96.51,C(=O)(N\N=C\c1ccccc1F)C(=O)Nc2ccccc2C,0.0
339,CO-ADD:0218743,96.41,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(=O)c2ccc(cc2)C,0.0
340,CO-ADD:0218355,96.39,o1c(C)ccc1\C=N\NC(c2ccccc2)=O,0.0
341,CO-ADD:0218267,96.24,[N+](=O)([O-])\C=C(/c1ccccc1)\c2ccccc2,0.0
342,CO-ADD:0218417,95.89,s1c(c2ccccc2)nnc1NC(=O)C(F)(F)F,0.0
343,CO-ADD:0218738,95.75,N(c1ccccc1Br)C(CCC(OC)=O)=O,0.0
344,CO-ADD:0166059,95.36,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(ccc(c3OC)OC)c3,0.0
345,CO-ADD:0166068,95.28,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
346,CO-ADD:0166443,95.09,C(=O)(N\N=C\c1cc(Br)ccc1O)C(=O)NC(C)c2ccccc2,0.0
347,CO-ADD:0166786,95.01,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc(ccc(c4C)C)c4,0.0
348,CO-ADD:0166721,94.83,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)Cl,0.0
349,CO-ADD:0166290,94.82,C(=O)(C(NCCCCc1ccccc1)=O)Nc2ccccc2F,0.0
350,CO-ADD:0218112,94.67,c1(SCC(=O)N\N=C\c2ccccc2OC)oc(c3n1)cccc3,0.0
351,CO-ADD:0218540,94.28,n1(c(C)cc(C)n1)C(=O)c(cccc2[N+](=O)[O-])c2,0.0
352,CO-ADD:0226687,94.21,C1(=NN(C2=O)CC#N)N2c3c(ccc(c3)C(=O)NC4CCCCC4)C(=O)N1Cc5ccccc5,0.0
353,CO-ADD:0225551,94.21,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)NCc4cccc(OC)c4)c2,0.0
354,CO-ADD:0225607,94.2,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc(ccc(c45)OCO4)c5)=O,0.0
355,CO-ADD:0225478,94.15,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc5cccc(C)c5C)=O,0.0
356,CO-ADD:0215479,94.04,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cccc4C(=O)\C=C\c5ccccc5)c4,0.0
357,CO-ADD:0215527,94.0,C(=O)(N\N=C\c(cc1)ccc1C(O)=O)C(=O)Nc(cc2)ccc2OC,0.0
358,CO-ADD:0215627,93.87,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)Cl)Nc2cc(C)ccc2OC,0.0
359,CO-ADD:0214965,93.81,S(=O)(=O)(c1ccc(cc1)C)N\N=C\c(ccc(c2[N+](=O)[O-])OC(c3ccccc3)=O)c2,0.0
360,CO-ADD:0215776,93.71,c1(Cl)c(Cl)sc(\C=N\c(cc2)ccc2Nc3ccccc3)c1Cl,0.0
361,CO-ADD:0215144,93.33,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3[N+](=O)[O-])N\C=C(\C(C)=NN4c5ccccc5)/C4=O)c3,0.0
362,CO-ADD:0166605,93.25,C(CCC(=O)OC(CC1)CCC1C(C)(C)C)(=O)Nc(cc2)ccc2C,0.0
363,CO-ADD:0166253,93.2,C(CCc1ccccc1)(=O)Nc(cc2)ccc2I,0.0
364,CO-ADD:0166286,93.15,C(=O)(NCC1CCCO1)C(NCCCCc2ccccc2)=O,0.0
365,CO-ADD:0166331,93.09,C(=O)(N\N=C\c(c1c([nH]2)cccc1)c2)C(NCCC)=O,0.0
366,CO-ADD:0166341,92.72,N1(c2cccc(Oc(ccc(c3C4=O)C(N4c5ccccc5)=O)c3)c2)C(=O)c(c6C1=O)ccc(c6)[N+](=O)[O-],0.0
367,CO-ADD:0166351,92.69,N(c1ccc(cn1)Br)C(OCC)=O,0.0
368,CO-ADD:0218751,92.65,C(=O)(c1cccc(Cl)c1)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
369,CO-ADD:0218775,92.33,C(=O)(C\C(\C)=N\NC(COc1ccccc1)=O)Nc2ccccc2CC,0.0
370,CO-ADD:0218343,92.24,N(=C\c(cc1)ccc1OC)/NC(CCCCC(=O)N\N=C\c(cc2)ccc2OC)=O,0.0
371,CO-ADD:0218311,91.67,C(=O)(N\N=C\c(cc1)ccc1Cl)c2ccc(cc2)OCc3ccccc3,0.0
372,CO-ADD:0218362,91.3,C(=O)(N\N=C\c1ccc(C)o1)c(cccn2)c2,0.0
373,CO-ADD:0218747,90.68,C(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\c(cc3)ccc3Br,0.0
374,CO-ADD:0225622,90.63,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccc(cc4Cl)F)=O,0.0
375,CO-ADD:0218229,90.53,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc(cc3)ccc3C,0.0
376,CO-ADD:0217989,90.32,c1(\C=N\NC(=O)Cc2cccc(cccc3)c23)c[nH]nc1c4cccc(Br)c4,0.0
377,CO-ADD:0217886,90.03,C(=O)(N1CCCCC1)c2ccccc2NC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
378,CO-ADD:0218470,89.71,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)ccc2Br,0.0
379,CO-ADD:0218478,89.6,C(=O)(N\N=C\c1ccccc1)OC(C)(C)C,0.0
380,CO-ADD:0215273,89.6,N1(c2cccc(c2)[N+](=O)[O-])C(=O)C(C3C1=O)C(c4ccccc4)C=CC3c5ccccc5,0.0
381,CO-ADD:0215113,89.55,C(=C\Nc1cccc(Br)c1)(/C2=O)\C(=O)NC(=S)N2,0.0
382,CO-ADD:0214935,88.96,C(=O)(C(NCC=C)=O)Nc1ccccc1OCC,0.0
383,CO-ADD:0214943,88.29,n1c(c2ccc(cc2)Br)csc1N\N=C\c3ccc(cc3Cl)Cl,0.0
384,CO-ADD:0215376,88.28,C(C(OCC)=O)(C1c2ccccc2)=C(CSc3nc(N)c(c(c4ccc(cc4)F)c3C#N)C#N)OC(N)=C1C#N.[Na+],0.0
385,CO-ADD:0166023,88.16,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
386,CO-ADD:0217910,88.11,N(c1ncccn1)C(=O)c2cccc(N)c2,0.0
387,CO-ADD:0225718,88.08,C1(=N2)N(C=Nc3c1sc(n3)N4CCCC4)C(N2CC(=O)Nc(cc5)ccc5C(F)(F)F)=O,0.0
388,CO-ADD:0217855,87.62,C1(C#N)=C(COC)C=C(NC1=S)C,0.0
389,CO-ADD:0218479,87.03,C(=O)(OC(C)(C)C)N\N=C(/C1)\CCCC1,0.0
390,CO-ADD:0217911,86.89,N(c1cccc(cccc2)c12)C(=O)CN(CC3)CCO3,0.0
391,CO-ADD:0215588,86.78,n1c(N\N=C\c(ccc(c2OC)O)c2)scc1c(ccc(c3Cl)Cl)c3,0.0
392,CO-ADD:0166234,86.52,C(=O)(NCC(=O)N\N=C\c(ccc(c12)cccc1)c2)c3ccco3,0.0
393,CO-ADD:0166701,85.71,C1(C#N)(C#N)C(c2ccccc2C(F)(F)F)C(C3)C(C(C#N)=C1N)=CCN3C(C)C,0.0
394,CO-ADD:0166060,85.55,c1(c(C)cccc1C)OCC(=O)N\N=C\c(cc2)ccc2C(O)=O,0.0
395,CO-ADD:0166501,85.52,C(=O)(N\N=C\c(cc1)ccc1Cl)C(=O)Nc2cc(C)ccc2C,0.0
396,CO-ADD:0165939,85.18,C(Oc(cccc1C(=O)Nc(ccc(c2C)C)c2)c1)(=S)Nc3ccccc3C,0.0
397,CO-ADD:0166394,84.5,[N+](=O)([O-])c1ccccc1C(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccccc3OC(C)=O,0.0
398,CO-ADD:0166623,83.27,C(CNc(cc1)ccc1I)(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
399,CO-ADD:0165865,83.21,C(=O)(Nc(cc(C)cc1C)c1)C\C(\C)=N\NC(=O)c2ccc(cc2)NC(C)=O,0.0
400,CO-ADD:0218153,82.91,c1(cc(ccc1Cl)SC)C(=O)Nc(cc2)ccc2NC(C)=O,0.0
401,CO-ADD:0218384,82.74,c(Nc1cccc(Cl)c1)(n2)nc(nc2Nc3cccc(Br)c3)Nc4cccc(Cl)c4,0.0
402,CO-ADD:0218365,81.69,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)c(cccn2)c2,0.0
403,CO-ADD:0218495,81.41,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(cc1)ccc1O,0.0
404,CO-ADD:0218511,81.24,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)Nc2cccc(F)c2,0.0
405,CO-ADD:0165957,81.12,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c2cccc(cccc3)c23,0.0
406,CO-ADD:0166016,80.96,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(ccc(c2OCC)OCC=C)c2,0.0
407,CO-ADD:0166480,80.76,C(=O)(C(NCCc1ccccc1Cl)=O)Nc2ccc(cc2C)C,0.0
408,CO-ADD:0165928,80.68,C(=O)(C\C(\C)=N\NC(COc(cc(C)c(c1)Br)c1Br)=O)Nc2ccccc2CC,0.0
409,CO-ADD:0166502,79.13,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCc2cccc(cccc3)c23,0.0
410,CO-ADD:0166481,78.4,C(=O)(Nc1ccccc1)C(=O)NCc(ccc(c23)OCO2)c3,0.0
411,CO-ADD:0166453,78.29,c1(c(C)cc(cc1C)Br)NC(COc(cc2)ccc2CC)=O,0.0
412,CO-ADD:0166430,77.63,C(=O)(N\N=C\c1c(cccc1Cl)Cl)C(=O)Nc2ccccc2OCC,0.0
413,CO-ADD:0166732,77.13,C1(C2c3cc(Br)ccc3OC)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
414,CO-ADD:0166494,76.98,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2ccccc2OCC,0.0
415,CO-ADD:0166142,75.93,c1(c(Br)cc(cc1\C=N\NC(COc2cc(C)ccc2C(C)C)=O)Br)OC(=O)c3ccco3,0.0
416,CO-ADD:0218396,75.68,c1(non2)c2nc(Nc3ccccc3Cl)c(N\N=C\c4ccc(cc4Cl)Cl)n1,0.0
417,CO-ADD:0218779,75.57,C(=O)(N\N=C\c(cc1)ccc1I)C(=O)Nc2ccc(cc2C)C,0.0
418,CO-ADD:0166488,75.52,C(=O)(c1ccc(cc1)OCCCC)NCc2cccc(cccc3)c23,0.0
419,CO-ADD:0166479,75.06,N1(CNc(ccc(c2Cl)Cl)c2)C(=O)\C(\SC1=O)=C/c(cc3)ccc3C(OC)=O,0.0
420,CO-ADD:0166715,74.97,C1(C#N)(C#N)[C@@H](c2ccccc2)[C@]([H])(C3)C(C(C#N)=C1N)=CCN3C(C)C,0.0
421,CO-ADD:0166381,74.07,C(CSCc1ccccc1Cl)(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
422,CO-ADD:0165980,73.18,C(=O)(N\N=C\c(cc1)ccc1Cl)c2ccc(cc2)COc(cc3)ccc3C,0.0
423,CO-ADD:0166235,72.09,C(=O)(NCC(=O)N\N=C\c1cc(Cl)ccc1O)c2ccco2,0.0
424,CO-ADD:0166396,71.98,S(=O)(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)O,0.0
425,CO-ADD:0166597,71.24,C1(C(=O)N\N=C(/C)\c(cc2)ccc2c3ccccc3)CC1c4ccccc4,0.0
426,CO-ADD:0166401,70.86,C(F)(F)(COc(cc1)ccc1\N=C\c2ccccc2O)C(F)F,0.0
427,CO-ADD:0166239,70.73,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2ccc(cc2C#N)Cc(ccc(c3C#N)NC(=O)c(cc4)ccc4[N+](=O)[O-])c3,0.0
428,CO-ADD:0166247,70.6,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)C(C(C34)C1=O)C(CC3=O)c(c45)cccc5,0.0
429,CO-ADD:0166338,69.99,c1(N\N=C/c2ccccc2C=O)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
430,CO-ADD:0166360,69.02,C(CSCc1ccccc1Br)(=O)N\N=C\c(cc2)ccc2OC(C)=O,0.0
431,CO-ADD:0166055,68.88,N(/NC(=O)Cc1cccc(cccc2)c12)=C(/C)\c3ccc(c4c3)cccc4,0.0
432,CO-ADD:0166661,66.02,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)OCC=C,0.0
433,CO-ADD:0166167,65.41,c1(cc(\C=N\NC(COc2ccc(cc2Cl)Cl)=O)cc(OC)c1O)[N+](=O)[O-],0.0
434,CO-ADD:0166184,65.39,c(c1)(cc(cn1)Br)C(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
435,CO-ADD:0218787,64.75,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c(cc3)ccc3OCCC,0.0
436,CO-ADD:0218515,64.74,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)Nc2cccc(C)c2C,0.0
437,CO-ADD:0217995,64.15,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Br)cc3Br)c3O)c4c(O)cc(c5c4)cccc5,0.0
438,CO-ADD:0217876,63.97,C1(SC)=C(C(C)=O)C(=S)NC(c2ccccc2)=N1,0.0
439,CO-ADD:0218484,62.99,n1(c(C)cc(C)n1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],0.0
440,CO-ADD:0225508,62.55,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5ccccc5C(OC)=O)=O,0.0
441,CO-ADD:0166379,61.62,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)C(C)Cc2cccc(OC)c2,0.0
442,CO-ADD:0166132,61.33,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
443,CO-ADD:0166137,61.29,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2cc(Cl)ccc2O,0.0
444,CO-ADD:0165968,60.66,[N+](=O)([O-])c1cccc(c1)\C=N/NC(=O)c2ccc(cc2)COc(cc3)ccc3C,0.0
445,CO-ADD:0166390,60.16,C(=O)(Oc(cc1)ccc1\C=N\N=C\c(cc2)ccc2OC(=O)c3ccccc3OC(C)=O)c4ccccc4OC(C)=O,0.0
446,CO-ADD:0166263,59.56,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc2cc(C)ccc2OC)Cl,0.0
447,CO-ADD:0166291,59.1,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)Nc(cc2)ccc2CCCC,0.0
448,CO-ADD:0166305,59.06,C12(\C=N\c(cc3)ccc3OCC)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OCC)=O)c(cccc7)c27,0.0
449,CO-ADD:0166408,58.22,N(=C(\C)/c1cccc(c1)NC(C)=O)/NC(CSCc2ccccc2Cl)=O,0.0
450,CO-ADD:0166316,58.21,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)Nc(cc2)ccc2OCCCCC,0.0
451,CO-ADD:0214960,58.03,C(=O)(N\N=C\c(ccc(c1OC)OCc2ccccc2)c1)C(=O)Nc3cccc(OC)c3,0.0
452,CO-ADD:0215369,57.46,C(C(=O)OC(C)C)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3ccccc3OC.[Na+],0.0
453,CO-ADD:0225620,56.98,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccccc4Cl)=O,0.0
454,CO-ADD:0225681,56.74,C1(=N2)N(C=CN=C1Oc3cccc(C)c3C)C(N2CC(=O)Nc4ccccc4C(F)(F)F)=O,0.0
455,CO-ADD:0226759,56.74,C1(=N2)N(C=Cn(nc(c3ccc(cc3)C)c4)c14)C(N2CC(=O)Nc5ccccc5Cl)=O,0.0
456,CO-ADD:0225485,56.47,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)NCc5ccccc5)=O,0.0
457,CO-ADD:0166561,55.61,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(=O)c3ccco3)o2)c1,0.0
458,CO-ADD:0166499,55.38,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(=O)c3ccc(cc3)OCCCCCCCCCC)o2,0.0
459,CO-ADD:0166324,55.14,c1(cc(ccc1Cl)SC)C(NCCOc2ccccc2F)=O,0.0
460,CO-ADD:0166708,54.71,C1(C#N)(C#N)[C@@H](c(cc2)ccc2C(C)C)[C@@]3([H])C(C(C#N)=C1N)=CCCC3,0.0
461,CO-ADD:0226474,54.18,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCc(cc4)ccc4C=C,0.0
462,CO-ADD:0226684,54.04,C1(=NN(C2=O)Cc(cc3)ccc3Cl)N2C=CN(c4cccc(Cl)c4C)C1=O,0.0
463,CO-ADD:0227012,53.89,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc5c(C)cccc5C,0.0
464,CO-ADD:0226613,53.62,c1(nnc2SC(C)C(=O)Nc(ccc(c34)OCCO3)c4)n2C=CN(c5ccc(cc5)OCC)C1=O,0.0
465,CO-ADD:0226632,53.36,C1(=NN(C2=O)Cc(cc3)ccc3C=C)N2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
466,CO-ADD:0214963,53.27,c1(C(F)(F)F)nc(sc1c2ccc(cc2)Cl)\N=C\c(cc3)ccc3N(C)C,0.0
467,CO-ADD:0214916,53.09,C(C(C)O)(NC(OCc1ccccc1)=O)C(=O)N\N=C\c(cc2)ccc2F,0.0
468,CO-ADD:0166201,52.82,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccco2)\C=N\NC(=O)c(c3)cc(cn3)Br,0.0
469,CO-ADD:0226672,52.68,c1(C2=O)n(c(nn1)CC)c3c(cccc3)N2CC(=O)Nc4ccc(cc4F)Br,0.0
470,CO-ADD:0225731,52.57,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4ccc(cc4OC)OC)=O,0.0
471,CO-ADD:0226467,52.55,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4C(C)C,0.0
472,CO-ADD:0225260,52.48,N12C(C=CC(SC(C)C)=N1)=NN(CC(=O)Nc3ccc(cc3F)Br)C2=O,0.0
473,CO-ADD:0214938,52.44,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2Cl)(=S)Nc(cc3)ccc3OC,0.0
474,CO-ADD:0215523,52.29,C(=O)(N\N=C\c(cc(OCO1)c1c2)c2Br)C(NCCc3ccccc3)=O,0.0
475,CO-ADD:0215531,52.27,C(=O)(N1CCC(CC1)C)C(=O)N\N=C\c2ccccc2,0.0
476,CO-ADD:0215596,52.15,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)C(=O)Nc2cccc(OC)c2,0.0
477,CO-ADD:0215628,51.74,c1(ccc(cc1Cl)Cl)C(=O)N\N=C(/C)\CC(=O)Nc2cc(C)ccc2OC,0.0
478,CO-ADD:0166735,51.55,c1(NC(=O)C=C2O)c2sc(nc(c3cccs3)cc4c5ccc(cc5)F)c14,0.0
479,CO-ADD:0166712,51.42,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c(cc4)ccc4C(C)C.[Na+],0.0
480,CO-ADD:0166685,51.23,C(C(OCC)=O)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3cccs3,0.0
481,CO-ADD:0215825,51.0,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1F)C(NCCO)=O,0.0
482,CO-ADD:0215274,49.94,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C,0.0
483,CO-ADD:0215674,49.84,c1(NC(c2ccccc2)=O)n[nH]nn1,0.0
484,CO-ADD:0215290,49.33,n(\N=C\c1ccc(cc1O)O)(cnn2)c2,0.0
485,CO-ADD:0215314,49.14,c1(C#N)c(c2ccccc2)c3c(nc1SCC(OCc4ccccc4)=O)CCCC3,0.0
486,CO-ADD:0215106,48.89,N1(c2cccc(C)c2)C(=O)\C(\C(C)=N1)=C\NNC(=O)c(cccc3[N+](=O)[O-])c3,0.0
487,CO-ADD:0226731,48.74,N1(c(ccs2)c2C(N3CC(C)C)=O)C3=NN(Cc(cc4)ccc4Br)C1=O,0.0
488,CO-ADD:0225317,48.58,c12n(c3c(cccc3)nc1N4CCCCC4)c(nn2)CCC(=O)NCc(ccc(c56)OCO5)c6,0.0
489,CO-ADD:0226681,48.51,C1(=NN(C2=O)Cc(cc3)ccc3C=C)N2C=CN(c4cccc(Cl)c4C)C1=O,0.0
490,CO-ADD:0226489,47.78,c1(nnc2SC(CC)C(=O)Nc3c(F)ccc(F)c3)n2C=CN(c4cccc(OC)c4)C1=O,0.0
491,CO-ADD:0226622,47.67,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCC(=O)Nc4cccc(F)c4,0.0
492,CO-ADD:0215539,47.3,n1c(c2ccc(cc2)I)csc1N\N=C\c(cc3)ccc3Br,0.0
493,CO-ADD:0215443,46.75,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)C)CC(=O)N\N=C\c(cccc3C(F)(F)F)c3,0.0
494,CO-ADD:0215550,46.53,n1c(c(cc2)ccc2c3ccccc3)csc1N\N=C\c4ccccc4OC,0.0
495,CO-ADD:0214926,45.71,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2C)C(=O)N3CCCC3,0.0
496,CO-ADD:0215630,45.61,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\c3ccccc3OC,0.0
497,CO-ADD:0221841,45.34,c1(C#N)c(c2ccc(cc2)Br)cc(nc1SCC(=O)Nc(cc3)ccc3Br)c4ccccc4,0.0
498,CO-ADD:0219450,45.34,C(=S)(N(CC(C)C)CC(C)C)Oc(c(Br)c1)c(Br)cc1C(OC)=O,0.0
499,CO-ADD:0220005,45.0,c1(N2)c(cc(c(Br)c1Br)Br)OC2=O,0.0
500,CO-ADD:0222806,44.72,[N+](=O)([O-])c1cc(ccc1OC(=O)Cc2cccc(cccc3)c23)\C=N\c(cc4)ccc4N=Nc5ccccc5,0.0
501,CO-ADD:0222420,44.62,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(ccc(n2)C)c2)c3ccccc3Br,0.0
502,CO-ADD:0226050,44.2,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4C)C(N2CC(=O)Nc(cc5)ccc5CCCC)=O,0.0
503,CO-ADD:0219994,43.67,C(COc(cc1)ccc1C)(=O)Nc(cc2)ccc2Br,0.0
504,CO-ADD:0219459,43.51,c1(Br)c(Br)c(\C=N\NC(COc2ccccc2OC)=O)cc(O)c1O,0.0
505,CO-ADD:0226072,43.38,C1(=N2)N(C=CN=C1N(C)CCC)C(N2CC(=O)Nc3cccc(Cl)c3F)=O,0.0
506,CO-ADD:0226521,43.38,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCc(cccc4C(F)(F)F)c4,0.0
507,CO-ADD:0226068,43.32,C1(=N2)N(C=CN=C1N(C)CCC)C(N2CC(=O)Nc(cc3)ccc3C#N)=O,0.0
508,CO-ADD:0225830,43.13,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)Nc4c(C)cccc4C)=O,0.0
509,CO-ADD:0226542,43.06,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCc4ccccc4C,0.0
510,CO-ADD:0226798,43.02,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4ccc(cc4C)C)c(nn1)C(C)C,0.0
511,CO-ADD:0226030,42.95,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc(ccc(c4Cl)OC)c4)=O,0.0
512,CO-ADD:0226095,42.94,S(=O)(=O)(N(Cc(cc1F)cc(c1)F)c2cccc(F)c2)c3cccn(c(nn4)C)c34,0.0
513,CO-ADD:0221147,42.92,c1(C#N)c(c2ccccc2)cc(nc1SCC(OCC)=O)c3ccccc3,0.0
514,CO-ADD:0221871,42.82,N1(c2ccccc2C)C(=O)c(c3C1=O)ccc(C(OC)=O)c3,0.0
515,CO-ADD:0220676,42.77,c1(N(CC2)CCN2C)nc(N\N=C\c(cc3)ccc3N(CC)CC)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
516,CO-ADD:0225345,42.56,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc(ccc(c5C)C)c5,0.0
517,CO-ADD:0225442,42.4,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5c(C)ccc(Cl)c5)=O,0.0
518,CO-ADD:0225981,42.39,n12c(ccc(c3ccccc3)n1)nnc2CCC(=O)NCc4ccccc4OCC,0.0
519,CO-ADD:0226795,42.38,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4ccccc4CC)c(nn1)C(C)C,0.0
520,CO-ADD:0226822,42.2,c12n(cnn1)c3c(cccc3)nc2SCC(=O)Nc4c(OC)ccc(Cl)c4,0.0
521,CO-ADD:0301986,42.19,c12c(ccc(cccc3)c13)NC(CC2c4ccc(c(OC)c4)OCc5ccccc5)=O,0.0
522,CO-ADD:0304374,42.19,N1(c(cc2)c(OC1=O)cc2S(=O)(=O)Nc3cccc(C)c3)C(=O)NC4CCCCC4,0.0
523,CO-ADD:0301605,42.08,C(=O)(Nc(cc1)ccc1F)CCN(CC2)CCN2CCO,0.0
524,CO-ADD:0302112,41.87,[N+](=O)([O-])c(ccc(c1NC(=O)c2ccccc2NC(=O)c(cc3)ccc3[N+](=O)[O-])OC)c1,0.0
525,CO-ADD:0301764,41.81,C(F)(F)(F)c(ccc(c1NC(COc(cc2)ccc2Cl)=O)Cl)c1,0.0
526,CO-ADD:0301305,41.64,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3sccn3)C2c4ccco4,0.0
527,CO-ADD:0304770,41.58,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)N(CC3)CCO3)n2)Cc4ccccc4Cl,0.0
528,CO-ADD:0304823,41.56,C(C(C)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(O)C(N1c3ccc(cc3)F)=O,0.0
529,CO-ADD:0305328,41.54,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCC#N)N3c4ccc(cc4)C,0.0
530,CO-ADD:0305352,41.53,[N+](=O)([O-])c(cccc1\C=C(/C(O)=O)\NC(=O)c2ccc(Br)o2)c1,0.0
531,CO-ADD:0304953,41.38,N1(c(ccc(c2s3)nc3SCC(=O)Nc4cccc(OC)c4)c2)C(=O)c5c(cccc5)C1=O,0.0
532,CO-ADD:0303751,41.27,N1(c2ccccc2C)C(=O)NC(\C(=C/c3c(OC)cc(cc3OC)OC)\C1=O)=O,0.0
533,CO-ADD:0302920,41.22,N1(c2ccc(cc2)Oc(cc3)ccc3Cl)C(c4cccs4)N(N=C1C(C)=O)c5ccccc5,0.0
534,CO-ADD:0303474,41.2,C(C(OCC)=O)(C(=O)CC(C1C(OCC)=O)=O)C1c2ccc(cc2)OC,0.0
535,CO-ADD:0303519,41.19,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)NC(C)=O)cccc4,0.0
536,CO-ADD:0302042,41.12,c(C(c1ccccc1)=O)(sc(c23)nc(cc2c4ccco4)C5CC5)c3N,0.0
537,CO-ADD:0302034,40.96,N1(C(=O)c2c(C(c3cc(C)ccc3C)=N1)cccc2)c4cc(ccc4[N+](=O)[O-])N5CCCC5,0.0
538,CO-ADD:0303480,40.7,N1(C(=O)CSC1c2ccccc2)c3cccc(c3)C(=O)NC4(CCCCC4)C(=O)Nc5ccccc5C,0.0
539,CO-ADD:0302874,40.67,C1(C#N)(CC(c2ccccc2)=O)C(N)=C(C(C)C1(C#N)C#N)C=O,0.0
540,CO-ADD:0303533,40.66,C(=C(C)NC(=C12)CC(CC1=O)(C)C)(C(=O)Nc3ccccc3C)C2c4ccc(c(F)c4)F,0.0
541,CO-ADD:0302035,40.64,N1(C(=O)c2c(C(c3ccc(cc3C)C)=N1)cccc2)c4cc(ccc4[N+](=O)[O-])N5CCCC5,0.0
542,CO-ADD:0303778,40.63,c1(C#N)c(C(CCC=C2)C2)c3c(nc1SCC(c4ccccc4)=O)CCC3,0.0
543,CO-ADD:0303516,40.51,C(C(OC)=O)(=CN(Cc(cc1)ccc1OC)C=C2C(OC)=O)C2c3cccs3,0.0
544,CO-ADD:0303716,40.28,c1(SCc(cc2)ccc2C#N)sc(c3n1)cccc3,0.0
545,CO-ADD:0301287,40.27,c1(cc(ccc1C(C)=O)C(C)(C)C)NC(CC)=O,0.0
546,CO-ADD:0301727,40.2,C(=C\c(cc1OCC)cc(c1OCCOc(ccc(c2C)C)c2)Br)(/C(=O)NC(N3)=O)\C3=O,0.0
547,CO-ADD:0301271,40.17,N1(C(=O)CSC1=N)c2nonc2NC=O,0.0
548,CO-ADD:0303621,40.13,N1(c2ccccc2C)C(=O)\C(=C\Nc3sccn3)\C(NC1=O)=O,0.0
549,CO-ADD:0304193,40.06,C(=O)(Nc(cc1)ccc1C(C)(C)C)C(=O)NC(C)C,0.0
550,CO-ADD:0303565,39.72,c(C(=O)Nc1sccn1)(sc(c23)nc(c(C#N)c2c(cc4)ccc4C(C)C)N)c3N,0.0
551,CO-ADD:0303596,39.66,c1(SCC(=O)NC(CSc2oc(c3n2)cccc3)=O)oc(c4n1)cccc4,0.0
552,CO-ADD:0303620,39.53,C(=C\NCCCC)(/C1=O)\C(=O)NC(=O)N1,0.0
553,CO-ADD:0301754,39.5,N1(CCC(O)=O)C(=O)\C(\SC1=S)=C/c2cc(OC)ccc2OC,0.0
554,CO-ADD:0301677,39.38,c1(ccc(cc1NC(=O)c2cccs2)[N+](=O)[O-])C(=O)N3CCC(CC3)Cc4ccccc4,0.0
555,CO-ADD:0301710,39.28,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c3cc(Cl)ccc3OCCOc(cc4)ccc4C)\C1=O)=O,0.0
556,CO-ADD:0303850,39.25,N(C(CCCC(=O)N\N=C\c(cc1)ccc1Br)=O)c2ccccc2Br,0.0
557,CO-ADD:0304247,39.24,[N+](=O)([O-])c1cc(OC)c(cc1Cc2nccc(cc(c(OC)c3)OC)c23)OC,0.0
558,CO-ADD:0303633,39.12,C(=O)(Nc(cc1)ccc1OCC(=O)N(CC2)CCO2)c3ccccc3SCc(cc4)ccc4F,0.0
559,CO-ADD:0303997,39.1,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(cco3)c3)\C1=O)=O,0.0
560,CO-ADD:0304080,39.07,c1(CC(NCCO)=O)n(C)c2c(cc(cc2)C)c1Sc3ccccc3,0.0
561,CO-ADD:0304050,38.95,C(=O)(N(CC1)CCN1c2ccc(cc2F)C(CC)=O)c3c(cccc3F)F,0.0
562,CO-ADD:0301330,38.9,n1(N)c(C)nnc1N\N=C/c(ccc2c3ccccc3F)o2.Cl.Cl,0.0
563,CO-ADD:0301419,38.89,C1(=O)Oc(c(cc(c2OC(OC)=O)Br)S1)c2,0.0
564,CO-ADD:0302437,38.8,C12(Nc(cccc3)c3C(=O)N1c(cccc4C(F)(F)F)c4)c5c(N(CC(=O)N(CC)CC)C2=O)cccc5,0.0
565,CO-ADD:0303863,38.76,N1C(CC2)(CCC2C(C)(C)CC)NN(C)C1=S,0.0
566,CO-ADD:0302118,38.71,c1(cc(Cl)ccc1NC(=O)\C=C\c2ccco2)C(O)=O,0.0
567,CO-ADD:0302140,38.66,c12c(cc(OC)c(OC)c1)N=C(OC2=O)COc(cc3)ccc3OC,0.0
568,CO-ADD:0302079,38.61,C(=O)(c1ccc(cc1)Cl)Nc(cc(cc2C(O)=O)C(O)=O)c2,0.0
569,CO-ADD:0302044,38.58,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C\c3cccc(OCCOc(cc4)ccc4[N+](=O)[O-])c3)\C1=O)=O,0.0
570,CO-ADD:0304123,38.54,c1([N+](=O)[O-])c([N+](=O)[O-])c2c(c([N+](=O)[O-])c1[N+](=O)[O-])[nH]c(N)n2,0.0
571,CO-ADD:0301889,38.54,c1(C(O)=O)[nH]nc(C)n1,0.0
572,CO-ADD:0304115,38.53,c1(N)c(Cl)ccc(N)c1,0.0
573,CO-ADD:0301756,38.41,N1(CC(OCC)=O)C(=O)c2c(C(c3ccccc3)=N1)cccc2,0.0
574,CO-ADD:0301296,38.15,C1(C)(C(OCC)=O)\C(=N/Nc2ccccc2C)\C(C(=O)N1c3ccccc3)=O,0.0
575,CO-ADD:0302639,38.1,c1(NC(COc(cc2)ccc2Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc(cc3)ccc3OC,0.0
576,CO-ADD:0301547,38.06,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCN3Cc4ccccc4)n2)CC(c5ccccc5)=O,0.0
577,CO-ADD:0301862,38.04,c1(C(=O)Nc2ccc(cc2F)F)c(Cl)c3c(cccc3)s1,0.0
578,CO-ADD:0302037,37.98,C1(=S)c2c(cccc2)NC3(CCCC3)N1,0.0
579,CO-ADD:0303092,37.97,[N+](=O)([O-])c1c(\C=N\NCC(OC)=O)ccc(c1)[N+](=O)[O-],0.0
580,CO-ADD:0301828,37.96,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(cc3OC)cc(c3O)I)\C1=O)=O,0.0
581,CO-ADD:0302563,37.92,c(c(\C=C\c(ccc(c1OC)OCCC(C)C)c1)nc(n2)O)([N+](=O)[O-])c2O,0.0
582,CO-ADD:0303787,37.89,c(C#N)(c1c2ccco2)c(SCC(=O)Nc(cc3)c(cccc4)c4c3[N+](=O)[O-])nc(N)c1C#N,0.0
583,CO-ADD:0303495,37.81,C(=O)(Nc1c(C)cccc1C)C2(CCCC2)N(C)C(=O)c3ccc(c4n3)cccc4,0.0
584,CO-ADD:0301893,37.67,C(=O)(N\N=C\c1ccccc1F)C(OCC)=O,0.0
585,CO-ADD:0303235,37.67,C(C(OC)=O)(C1c2ccc(cc2)CC)=C(C)N(C(C)=C1C(OC)=O)C,0.0
586,CO-ADD:0302738,37.65,N1(CC(COc2ccccc2)OC(c3ccccc3)O1)C(c4ccccc4)=O,0.0
587,CO-ADD:0303222,37.55,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)CC1c3cccc(Cl)c3Cl,0.0
588,CO-ADD:0301245,37.36,C(C(OCCc1ccccc1)=O)(C2c(cc3)ccc3N(C)C)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
589,CO-ADD:0302523,37.34,c(C(O)=O)(c(CC)c(c1C(OCC)=O)C)[nH]1,0.0
590,CO-ADD:0304225,37.32,S(NCCOc(cc1)ccc1C)(=O)(=O)c2ccc(cc2)SC,0.0
591,CO-ADD:0303642,37.16,c1([nH]c(c2n1)cccc2)\C(\C#N)=C(\c3c(N4)cccc3)/C4=O,0.0
592,CO-ADD:0302689,37.11,S(=O)(=O)(N(CC1)CCO1)c(c(OC)cc(c2S(=O)(=O)N(CC3)CCO3)OC)c2,0.0
593,CO-ADD:0304259,37.07,c1(SCC(=O)Nc2ccccc2F)nc(c3n1CCc4ccccc4)cccc3,0.0
594,CO-ADD:0304277,37.06,C1(C)(C)C(c2ccccc2)Nc(c3C1OC(C)=O)cccc3,0.0
595,CO-ADD:0302809,36.81,n1(c(cccc2C)c2n3)c3S\C(=C/c(ccc(c4OC)OCCC)c4)\C1=O,0.0
596,CO-ADD:0301433,36.75,c1(NC(=O)c2ccc(cc2)F)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OCC,0.0
597,CO-ADD:0305908,36.7,c1(NC(=O)C(C)Oc(cc2)ccc2F)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
598,CO-ADD:0312062,36.7,c1(C2=O)c(sc(CC(CC)CC3)c13)N=C(SCC(=O)Nc4ccccc4C(OC)=O)N2c5ccccc5,0.0
599,CO-ADD:0307171,36.64,n1c(c2)c(cn1c3ccccc3)ccc2[N+](=O)[O-],0.0
600,CO-ADD:0311983,36.63,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCCNC(=S)NC(=O)c2cccs2,0.0
601,CO-ADD:0306782,36.53,c12c(cc(C)c(C)c1)NC(CC2c3ccccc3Br)=O,0.0
602,CO-ADD:0305425,36.42,N1(c2ccc(cc2)Cl)CC(CC1=O)C(NCCCOC(C)C)=O,0.0
603,CO-ADD:0302731,36.36,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(c4)c(C)n(n4)C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
604,CO-ADD:0303091,36.19,n1(c2c(n3)cccc2)c3NC(CCCC4)=C4C1=O,0.0
605,CO-ADD:0301455,36.08,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3cc(Br)ccc3OC,0.0
606,CO-ADD:0302979,36.03,C(=O)(Nc1cccc(CCc2ccccn2)c1)c(cc3OC)cc(c3OC)OC,0.0
607,CO-ADD:0303020,36.02,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCOc3c(C)cccc3C)c1C,0.0
608,CO-ADD:0303634,35.99,n1c(c(ccc(c2Cl)Cl)c2)onc1c3ccccc3,0.0
609,CO-ADD:0304326,35.86,C1(C(C)=O)=C(Nc(cc2)ccc2Br)CC(C)(O)C(C(C)=O)C1c(cc3)ccc3C(C)C,0.0
610,CO-ADD:0301851,35.85,c1(NC(=O)c2ccc(cc2Cl)Cl)sc(c(C)c1C(OCC)=O)C(=O)Nc(cc3)ccc3OC,0.0
611,CO-ADD:0304330,35.81,C12(CC3CC(CC(C3)C1)C2)C(=O)N\N=C\c(cc4)ccc4N(CCC)CCC,0.0
612,CO-ADD:0304016,35.75,C1(C(=O)OC(C)C)=C(C)NC(NC1c2cc(Br)ccc2OC)=O,0.0
613,CO-ADD:0302109,35.6,c1(cc(ccc1NC(Cc(cc2)ccc2Cl)=O)Cc(ccc(c3C(O)=O)NC(Cc(cc4)ccc4Cl)=O)c3)C(O)=O,0.0
614,CO-ADD:0304089,35.45,C1(\N=C(/c2c(N3)ccc(Br)c2)\C3=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
615,CO-ADD:0312251,35.43,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cccs5,0.0
616,CO-ADD:0306091,35.41,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N2CCCC2,0.0
617,CO-ADD:0311646,35.32,C(=N\c(ccc(c12)OCO1)c2)(/SC(C(=O)Nc(cc3)ccc3I)CC4=O)\N4CC,0.0
618,CO-ADD:0306139,35.29,C(/N1)(=C(\c2ccccc2)/C(C)=O)\c3c(CC1(C)C)cc(C)c(C)c3,0.0
619,CO-ADD:0306827,35.24,C1(=COc(c2C1=O)cccc2)C3C4=C(CCCC4=O)NC(C)=C3C(OCCOCC)=O,0.0
620,CO-ADD:0306115,35.23,c1(ccc(cc1F)F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(CC)=O,0.0
621,CO-ADD:0312371,35.08,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(C)s5,0.0
622,CO-ADD:0311112,35.08,c12n(ncn1)C(C=C(c3ccc(cc3)Br)N2)c4ccc(c(OC)c4)OC,0.0
623,CO-ADD:0311104,35.01,N1(c2ccc(cc2)OCCC)CC(CC1=O)C(=O)NC(C)C,0.0
624,CO-ADD:0312031,34.99,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c4ccc(cc4)OCc5ccccc5F,0.0
625,CO-ADD:0306318,34.83,C(C)(C)(C(=O)OC(C1(C)C)c2ccccc2I)C1=O,0.0
626,CO-ADD:0311932,34.82,n1(ncn2)c2NC(CCCC3)=C3C1=O,0.0
627,CO-ADD:0303556,34.79,N1(c2ccc(c(Cl)c2)Cl)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4,0.0
628,CO-ADD:0302447,34.77,c1(c(cccc1Cl)F)CN(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3F,0.0
629,CO-ADD:0303630,34.63,c1(sc(c2n1)cccc2)\C(\C#N)=C\c3cc(OC)ccc3OC,0.0
630,CO-ADD:0301816,34.6,c1(NC(=O)c(ccc(c2Cl)Cl)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
631,CO-ADD:0304320,34.56,N12C(S\C(=C/c(cccn3)c3)\C1=O)=NCN(c4ccc(cc4)OC)C2,0.0
632,CO-ADD:0303199,34.52,c12c(n(c(NCCOc3ccccc3OC)n1)C)C(N(C)C(=O)N2C)=O,0.0
633,CO-ADD:0304054,34.45,C(Cc(c1c(ccc(c1)F)[nH]2)c2)N.Cl,0.0
634,CO-ADD:0302160,34.35,C1(C(=O)OCc2ccccc2)=C(C)NC(=O)CC1c3ccccc3[N+](=O)[O-],0.0
635,CO-ADD:0302476,34.34,n1(C(=O)\C(\S2)=N\Nc(cc3)ccc3[N+](=O)[O-])c2nc(c4ccccc4)c1c5ccccc5,0.0
636,CO-ADD:0301479,34.34,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c3ccccc3OC,0.0
637,CO-ADD:0303783,34.32,c1(C#N)c(C(CCC=C2)C2)c3c(nc1SCC(OCC)=O)CCC3,0.0
638,CO-ADD:0306803,34.3,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CCCC2=O)C3c4cccc(OCC)c4,0.0
639,CO-ADD:0307555,34.21,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c4c3)OCO4,0.0
640,CO-ADD:0307452,34.15,n(cnc1NC(=O)Nc2cccc(Cl)c2)(n1)c3nc(OC)nc(OC)n3,0.0
641,CO-ADD:0307023,34.07,N1(c2ccc(cc2)OC(C)=O)C(=O)C3C(CC(=C(C)C3)C)C1=O,0.0
642,CO-ADD:0307012,34.05,N1(c2ccc(cc2)CC)C(=O)C3C(C(CC34)C=C4)C1=O,0.0
643,CO-ADD:0312308,33.96,c1(cccc(cccc2)c12)C(NCCOc3ccccc3F)=O,0.0
644,CO-ADD:0311064,33.9,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cc(OC)c(cc4Cl)O,0.0
645,CO-ADD:0311153,33.9,n12c(ncc(C#N)c1N)c(c(C)n2)c3ccccc3,0.0
646,CO-ADD:0311210,33.87,N1(CC(C)C)C(=O)C2C(C(CC23)C=C3)C1=O,0.0
647,CO-ADD:0310921,33.8,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc4ccccc4,0.0
648,CO-ADD:0312318,33.79,C(C(=O)c1cccs1)(C2c3ccccc3Cl)=C(O)C(N2CCc4ccccc4)=O,0.0
649,CO-ADD:0303000,33.75,N1(c2ccc(cc2)OC(C)C)CC(CC1=O)C(=O)Nc(cc3)ccc3F,0.0
650,CO-ADD:0301246,33.73,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2ccc(cc2)OCC,0.0
651,CO-ADD:0304411,33.69,N(C(CSCC(c1ccccc1)=O)=O)c2ccccc2Cl,0.0
652,CO-ADD:0303154,33.66,C(=C/c(ccc(c1OC)OCCOc(cc2)ccc2[N+](=O)[O-])c1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
653,CO-ADD:0303720,33.64,C1(=S)NC(C)(C)C=C(C)N1c2ccc(cc2)Cl,0.0
654,CO-ADD:0302977,33.58,C1(=O)\C(=C(\C)/C)\C(NN1c2ccc(cc2)CC)=O,0.0
655,CO-ADD:0304246,33.55,n1c2c(oc1SCc(c(OC)ccc3C(C)=O)c3)ccc(Cl)c2,0.0
656,CO-ADD:0302870,33.54,c1(cc(cc(NC(C)=O)c1O)[N+](=O)[O-])[N+](=O)[O-],0.0
658,CO-ADD:0302839,33.43,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)Nc(cc3)ccc3CCO,0.0
659,CO-ADD:0301985,33.33,C1(CC(=O)Nc(ccc(cccc2)c23)c13)c4cc(OC)ccc4OC,0.0
660,CO-ADD:0301868,33.33,C(C(OC)=O)(C1c2cccc(OCC)c2)=C(C)N(C(C)=C1C(OC)=O)C,0.0
661,CO-ADD:0307528,33.3,N1(c(cc2)c(OC1=O)cc2S(=O)(=O)N3CCCCC3)C(=O)c4ccc(cc4)C,0.0
662,CO-ADD:0311481,33.29,c12c(n(cn1)CCC\N=C/N(CC3)CCO3)C(N(C)C(=O)N2C)=O.Cl,0.0
663,CO-ADD:0312029,33.29,C1(=CC=CN(CC(c2ccccc2)=O)C1=O)[N+](=O)[O-],0.0
664,CO-ADD:0306036,33.26,N(CCN1Cc(cc2)ccc2Cl)(Cc(cc3)ccc3Cl)C1c4ccc(cc4)F,0.0
665,CO-ADD:0306045,33.24,C1(C2=O)C(C(NC1(CCSC)C(O)=O)c3ccccc3O)C(N2c4ccc(cc4)Br)=O,0.0
666,CO-ADD:0305597,33.22,c1(Oc(cc2)ccc2F)nc(C)cc(C)c1C#N,0.0
667,CO-ADD:0305417,33.15,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCCNc(cc3)ccc3[N+](=O)[O-])c1C,0.0
668,CO-ADD:0311249,33.07,c1(NC(=O)c2ccc(cc2)OC)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
669,CO-ADD:0306266,33.07,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2ccc(cc2)Cl,0.0
670,CO-ADD:0305512,33.05,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)N3CCCC3,0.0
671,CO-ADD:0307066,33.04,c1(c(Cl)c(C)cc(F)c1F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
672,CO-ADD:0312054,33.0,s1c(N)nnc1SCC(=O)Nc(cc2)ccc2C(OCCCC)=O,0.0
673,CO-ADD:0301461,32.99,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3cccs3,0.0
674,CO-ADD:0304391,32.99,n1nc(c2n1OCc3oc(nn3)C)ccc(c2)[N+](=O)[O-],0.0
675,CO-ADD:0302472,32.97,C1(C(c2ccccc2)N3)=C(CN(c4ccc(cc4)C)C1=O)N(C3=O)C,0.0
676,CO-ADD:0301924,32.89,c12c(ccc(Oc3cccc(c3)Oc(ccc(c45)noc4c6ccccc6)c5)c1)noc2c7ccccc7,0.0
677,CO-ADD:0301430,32.89,C(C(OCC)=O)(C1c2ccc(cc2)OC)=CN(C=C1C(OCC)=O)c3ccc(cc3)C,0.0
678,CO-ADD:0304361,32.86,C(C(OCC)=O)(NC(CC)=O)(C(F)(F)F)Nc1sc(c(CCN2C)c1C(OC)=O)C2,0.0
679,CO-ADD:0302733,32.8,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc4)ccc4OC)\C1=O)=NC(C)=C2C(=O)Nc5ccccc5,0.0
680,CO-ADD:0311712,32.75,C(=C/c(ccc1c2ccccc2C(OC)=O)o1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
681,CO-ADD:0310904,32.73,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(=O)c4cccc(Cl)c4,0.0
682,CO-ADD:0306049,32.73,c1(OCC)cc(ccc1OCCCC)C=O,0.0
683,CO-ADD:0305570,32.71,N1(c2ccc(cc2)C)C(c3cccc(OC)c3OCc4ccccc4Cl)N(N=C1C(C)=O)c5ccc(cc5)C,0.0
684,CO-ADD:0307311,32.69,C1(=C(CC(c2ccc(cc2)OC)CC1=O)Nc(c3N4C(CCC(O)=O)=O)cccc3)C4c5cccs5,0.0
686,CO-ADD:0306699,32.62,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5)OCCC,0.0
687,CO-ADD:0306729,32.59,C1(OCCCO1)c2cccc(N)c2,0.0
688,CO-ADD:0312464,32.59,CCC[C@]1(C=C2)O[C@]23C(C1)C(=O)N(c4ccccc4)C3,0.0
689,CO-ADD:0307180,32.57,C(C(=O)c1cccs1)(C2c3ccc(cc3)Cl)=C(O)C(N2CCc4ccccc4)=O,0.0
690,CO-ADD:0306776,32.57,C1(C(=O)OCC(C)C)=C(C)NC(=C2C1c3ccccc3C(F)(F)F)CCCC2=O,0.0
691,CO-ADD:0306243,32.56,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(cccc4)c34,0.0
692,CO-ADD:0302145,32.56,N1(C(=O)c(c2C1=O)ccc(c2)C3=Nc(c4C(=O)O3)cccc4)c5cc(on5)C,0.0
693,CO-ADD:0302764,32.53,[nH]1c2c(nc1SCc3ccccc3Cl)cccn2,0.0
694,CO-ADD:0301983,32.53,C1(CC(=O)Nc(ccc(cccc2)c23)c13)c4ccc(cc4Cl)Cl,0.0
695,CO-ADD:0302363,32.52,c1(C(OCC)=O)c(CN(CC2)CCN2c3ccccc3C)oc(cc(Br)c(OC)c4)c14,0.0
696,CO-ADD:0302504,32.52,N1C(=O)\C(\SC1=S)=C/c(ccc(c2)N(CC)CC)c2OCc3ccc(cc3Cl)Cl,0.0
697,CO-ADD:0304350,32.5,N1(C)C(\C=C\c(cc2)ccc2[N+](=O)[O-])=Nc(c3C1=O)cccc3,0.0
698,CO-ADD:0311961,32.45,n1(C)c(COc(cc2)ccc2C(C)(C)c3ccccc3)nnc1S,0.0
699,CO-ADD:0306223,32.45,C(C#N)(C1=O)=C(c2ccc(cc2)OC)N=C(SCc3ccccc3C#N)N1,0.0
700,CO-ADD:0305515,32.44,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)N(CC3)CCO3,0.0
701,CO-ADD:0305522,32.39,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4ccc(cc4)Br)[N+](=O)[O-],0.0
702,CO-ADD:0312043,32.32,N1(CCCC(=O)Nc2nnc[nH]2)C(=O)c3c(cccc3)C1=O,0.0
703,CO-ADD:0307638,32.3,N(CCN1Cc(cc2)ccc2Cl)(Cc(cc3)ccc3Cl)C1\C=C\c(cc4)ccc4N(C)C,0.0
704,CO-ADD:0306854,32.27,c1(noc(COc(cc2)ccc2Cl)n1)c3nonc3N,0.0
705,CO-ADD:0306126,32.25,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(OCC)=O)F,0.0
706,CO-ADD:0306103,32.16,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccc(cc3F)F)N(CC4)CCO4)[N+](=O)[O-],0.0
707,CO-ADD:0307271,32.12,c12c([nH]nc1c3ccc(c(OC)c3)OC)OC(N)=C(C#N)C2c4c[nH]nc4c5ccc(cc5)F,0.0
708,CO-ADD:0311596,32.11,N1(CC(c2ccccc2)c3ccccc3)C(=O)CC(SCC(=O)Nc(cc4)ccc4Cl)C1=O,0.0
709,CO-ADD:0311909,32.06,C(=O)(Nc(cc1)ccc1C)C(NCCCNC(=O)c2cccc(Br)c2)=O,0.0
710,CO-ADD:0302789,32.02,C(=CC(\C=C\c1cc(Cl)cc(Cl)c1OCc2ccccc2F)=NC3=O)(C(F)(F)F)N3,0.0
711,CO-ADD:0303691,31.98,S(=O)(=O)(N(CC1)CCO1)c2cc(ccc2N(CC3)CCO3)[N+](=O)[O-],0.0
712,CO-ADD:0304200,31.95,N1(c2ccc(cc2)OCC)C(CC)(CC)Nc(c3C1=O)cccc3,0.0
713,CO-ADD:0302907,31.94,C(=C/c(cc1)ccc1OC(=O)c2ccc(cc2)OC)(/C(C)=NN3c(cc4)ccc4[N+](=O)[O-])\C3=O,0.0
714,CO-ADD:0303550,31.88,N1(CC(C)OC(c(ccc(c23)OCO2)c3)O1)C(c4ccccc4)=O,0.0
715,CO-ADD:0304150,31.78,O1C(=O)c2c(c(ccc3Oc4ccccc4c5ccccc5Oc(cc6)c(cc7)c(c6C8=O)c(c7)C(O8)=O)C1=O)c3ccc2,0.0
716,CO-ADD:0302173,31.75,N(C(C)(C)Cc(c12)cc(c(OC)c1)OC)=C2CCCCCl,0.0
717,CO-ADD:0312292,31.75,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3[N+](=O)[O-])F)c3,0.0
718,CO-ADD:0307609,31.73,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccc(cc3)Br)N4CCCC4)[N+](=O)[O-],0.0
719,CO-ADD:0305400,31.57,c(c1c(s2)CCC1)(C3=O)c2N=C(SCC(Br)=C)N3c4ccccc4,0.0
720,CO-ADD:0307142,31.53,C(OC)(F)(C(F)(F)F)C(=O)Nc(cc(Oc(cc1)ccc1F)cc2[N+](=O)[O-])c2,0.0
721,CO-ADD:0306957,31.47,N1(C(=O)\C(\SC1=N)=C\c(ccc2c3cccc(F)c3)o2)c4nonc4N,0.0
722,CO-ADD:0305810,31.44,c1(c2c(sc1NC(=O)c3c(Cl)ccc(c3)[N+](=O)[O-])CCCC2)C(=O)OC(C)C,0.0
723,CO-ADD:0305730,31.42,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(ccc(c4[N+](=O)[O-])O)c4,0.0
724,CO-ADD:0307624,31.4,C1(C2c3ccc(c(OC)c3)OCc(cc4)ccc4Cl)=C(CC(C)(C)CC1=O)N(C(CC(C)(C)CC5=O)=C25)CC(O)=O,0.0
725,CO-ADD:0312202,31.38,C(=N/c(cc1)ccc1OC)(/SC(C(=O)Nc2ccccc2)CC3=O)\N3CC,0.0
726,CO-ADD:0307632,31.37,S(C)(NCCOc1ccccc1c2ccccc2)(=O)=O,0.0
727,CO-ADD:0306852,31.35,n1(c2ccc(cc2)Cl)nnnc1SCC(=O)Nc3ccc(cc3Cl)Cl,0.0
728,CO-ADD:0306140,31.3,N1=C(C)c(ccc(c23)cccc2)c3C(C)C1(C)C,0.0
729,CO-ADD:0303667,31.29,N1(c2ccc(cc2)OCCC)CC(CC1=O)C(=O)Nc3ccccc3C(C)C,0.0
730,CO-ADD:0303173,31.27,N1(CC(O)=O)C(=O)c(c2C1=O)c3c(nc2C)cccc3,0.0
731,CO-ADD:0301615,31.22,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c3c(OC)cc(cc3OC)OC,0.0
732,CO-ADD:0304409,31.2,c1(c2cccc(c2)NC(=O)c3ccc(cc3)F)nncn1C,0.0
733,CO-ADD:0301780,31.09,c1(C(OCC)=O)c(c2ccccc2)csc1NC(CSc3oc(c4n3)cccc4)=O,0.0
734,CO-ADD:0301945,31.08,N1(c2ccc(c(Cl)c2)F)C(c3ccc(cc3)CC)Nc(c4C1=O)cccc4,0.0
735,CO-ADD:0310742,31.07,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5ccc(C)o5)cccc4,0.0
736,CO-ADD:0311879,31.05,c1(NC(=O)c2c(Cl)ccc(c2)[N+](=O)[O-])sc(c(C)c1C(OCC)=O)c3ccccc3,0.0
737,CO-ADD:0310991,31.04,c1(C(=O)C23CC4CC(CC(C4)C2)C3)sc5c(c(COC)cc(C)n5)c1N=[N+]=[N-],0.0
738,CO-ADD:0311397,31.03,C(=C\C(c1ccccc1)=O)(/C2=O)\Nc3c(ccc(C)c3)O2,0.0
739,CO-ADD:0305584,31.02,[N+](=O)([O-])c1cccc(COc2ccc(cc2OCC)C=O)c1,0.0
740,CO-ADD:0307164,30.98,C1(C2c3ccc(cc3)OCc4ccccc4F)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC5=O)=C25,0.0
741,CO-ADD:0312066,30.98,s1c(N)nnc1SCC(NCCc2ccccc2)=O,0.0
742,CO-ADD:0312216,30.97,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccccc4OC,0.0
743,CO-ADD:0311156,30.96,C1(=S)NC2(NN1c3ccc(c(C)c3)C)CCCCC2,0.0
744,CO-ADD:0310899,30.94,S(C)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NCc3ccco3,0.0
745,CO-ADD:0307221,30.92,S(=O)(=O)(NC(C)(C)C#C)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc4cccc(C)c4)c1,0.0
746,CO-ADD:0310837,30.9,N1(C(OCCCC)=O)c2c(OC1=O)ccc(Cl)c2,0.0
747,CO-ADD:0312080,30.89,c1(C(=O)c2ccc(cc2Cl)Cl)sc3c(c(COC)cc(C)n3)c1N,0.0
748,CO-ADD:0312270,30.88,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cc(OC)ccc5OC,0.0
749,CO-ADD:0306952,30.8,c1(C#N)c(cc(cc1S(=O)Cc2ccccc2)N=[N+]=[N-])N=[N+]=[N-],0.0
750,CO-ADD:0311681,30.76,[nH]1c2c(nc1SCC(=O)Nc3ccc(cc3OC)OC)cccn2,0.0
751,CO-ADD:0305733,30.71,C(C(OCCOCCC)=O)(C1c(cc2)ccc2C(OC)=O)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
752,CO-ADD:0306961,30.7,N1(c2sccn2)C(=O)\C(\SC1=N)=C/c(ccc3c4ccccc4C(O)=O)o3,0.0
753,CO-ADD:0303162,30.66,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C\c(ccc(c3OCC)OCCOc(cc4)ccc4C(C)(C)C)c3)\C1=O)=O,0.0
754,CO-ADD:0303901,30.49,C1(CCC(NC1c(cc2OC)cc(c2OC)OC)=O)[N+](=O)[O-],0.0
755,CO-ADD:0303856,30.44,C(/NC(N1c2ccccc2)=S)(\C1=O)=C(\c3c(N4)cccc3)/C4=O,0.0
756,CO-ADD:0303965,30.4,N1(c2ccc(cc2)OCc(cc3)ccc3Cl)CC(CC1=O)C(OC)=O,0.0
757,CO-ADD:0303848,30.35,N1(c2ccccc2F)CC(CC1=O)C(=O)Nc3cccc(C)c3,0.0
758,CO-ADD:0301790,30.33,c1(Sc2ccccc2)nc(C)cc(C)n1,0.0
759,CO-ADD:0307302,30.3,c1(NC(=S)NC(=O)c2ccccc2Cl)sc(c3c1C#N)CCCCCC3,0.0
760,CO-ADD:0307294,30.29,C(=O)(c1ccc(cc1)Br)N(CC2)CCN2c3ccc(cc3F)C(CCC)=O,0.0
761,CO-ADD:0310822,30.29,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4cccc(OC)c4)n1Cc5ccccc5,0.0
762,CO-ADD:0306749,30.27,C(C(=O)OCc1ccccc1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(F)c4)F,0.0
763,CO-ADD:0310913,30.26,[N+](=O)([O-])c1ccc(cc1NCc(cc2)ccc2C(C)C)N(CC3)CCN3C(=O)\C=C\c4ccc(cc4Cl)Cl,0.0
764,CO-ADD:0306780,30.23,C(C(=O)OC(C)CC)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(OCC)c3)OC(C)=O,0.0
765,CO-ADD:0311139,30.17,C1(NC(CSc2nnnn2C)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
766,CO-ADD:0311026,30.14,c1(cccc(NC(C)=O)c1O)C(O)=O,0.0
767,CO-ADD:0310990,30.08,c1(C2c3cccc(OC)c3OCc(cc4)ccc4F)c([nH]nc1c(ccc(c56)OCO5)c6)OC(N)=C2C#N,0.0
768,CO-ADD:0311943,30.05,c1(ccc(cc1OC)SC)C(=O)Nc(cccc2C3OCCCO3)c2,0.0
769,CO-ADD:0305891,30.02,c1(NC(=O)C(C)Oc2ccccc2Br)sc(c(C)c1C(OC)=O)C,0.0
770,CO-ADD:0312452,29.98,c1(N(C)C)nc(NCc2ccccc2)nc(Nc(cc3)ccc3OC(F)(F)F)n1,0.0
771,CO-ADD:0306893,29.97,c12c([nH]nc1c3ccc(cc3)C)OC(N)=C(C#N)C2c4c[nH]nc4c5ccc(cc5)F,0.0
772,CO-ADD:0305987,29.94,c(C(OC)=O)(c(cc(O)c(c12)cccc1)c2n3CCOc4ccccc4OC)c3C,0.0
773,CO-ADD:0305933,29.94,c1(NC(=O)C(C)Oc(ccc(c2C)Cl)c2)sc(c(C)c1C(OCC)=O)C,0.0
774,CO-ADD:0306329,29.92,n(c(c1ccc(cc1)C)c2c(c3Sc(cc4C(C)(C)C)cc(c4O)C(C)(C)C)cccc2)n3,0.0
775,CO-ADD:0312506,29.89,C(C(CN1Cc2ccccc2)[C@@H]3C1=O)c(c4[C@@]3(C)C(OC)=O)occ4,0.0
776,CO-ADD:0303684,29.88,N1(C2CCCCC2)CC(CC1=O)C(=O)Nc(cc3)c(Br)cc3[N+](=O)[O-],0.0
777,CO-ADD:0302746,29.86,N1(C2c3cccc(OC)c3)C(S\C(=C\c4ccccn4)\C1=O)=NC(C)=C2C(=O)Nc5ccccc5,0.0
778,CO-ADD:0301799,29.86,c1(oc(c2n1)cccc2)c(ccc3c4oc(c5n4)cccc5)s3,0.0
779,CO-ADD:0301578,29.84,C(C(OC)=O)(C1c(ccc(c2[N+](=O)[O-])C)c2)=C(C)N(C(C)=C1C(OC)=O)C,0.0
780,CO-ADD:0301362,29.84,c12c(n(c(Oc(cc3)c(OC)cc3c(c4)nc(c5c4C(O)=O)ccc(cccc6)c56)n1)C)C(N(C)C(=O)N2C)=O,0.0
781,CO-ADD:0301564,29.83,C1(N2CCC(CC2)C)=CC(OC13CCCCC3)=O,0.0
782,CO-ADD:0307395,29.79,c1(C(=O)Oc(cccc2C3SCC(C(O)=O)N3)c2)cc(nn1C)I,0.0
783,CO-ADD:0305455,29.76,S(=O)(=O)(c1ccc(cc1)SC)Nc(cc2)cc(c2N(CC3)CCO3)Cl,0.0
784,CO-ADD:0305415,29.76,S(=O)(=O)(c1cccc(c1)\N=C(/c2c(N3)cccc2)\C3=O)Nc4ccccc4,0.0
785,CO-ADD:0311261,29.75,C1(c2ccccc2I)=N\C(\C(=O)O1)=C/c(ccc3[N+](=O)[O-])o3,0.0
786,CO-ADD:0305407,29.74,S(NCCOc1ccccc1C)(=O)(=O)c(ccc2c3c4c(o2)cccc4)c3,0.0
787,CO-ADD:0311862,29.73,S(=O)(=O)(c1ccc(cc1)OC)N2CCSC2c3cc(Br)ccc3OC,0.0
788,CO-ADD:0306000,29.7,N1(CC(CC1=O)C(=O)Nc2cccc(OCC)c2)c3cccc(Cl)c3C,0.0
789,CO-ADD:0307315,29.67,N(c1c(cccc1)NC(CC(c2ccc(cc2)F)CC3=O)=C34)(C(c5ccccc5)=O)C4c(cc6)ccc6N(CC)CC,0.0
790,CO-ADD:0312144,29.65,c12c(nnc(SCC(=O)N3CCCCC3)n1)c(c4n2C(C)C)cccc4,0.0
791,CO-ADD:0306030,29.64,N(CCN1Cc(cc2)ccc2Cl)(Cc(cc3)ccc3Cl)C1c4cccc(Br)c4,0.0
792,CO-ADD:0307359,29.56,n1(c2cccc(Cl)c2)nnnc1SCc(cc3)ccc3F,0.0
793,CO-ADD:0306311,29.5,N1(c2c(cccc2)Sc(ccc(c3)C(F)(F)F)c13)C(=O)CN(CC4)CCN4CCO,0.0
794,CO-ADD:0306838,29.48,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CCCC1=O)C2c3ccccc3Br,0.0
795,CO-ADD:0310954,29.45,C(C(OC)=O)(C(F)(F)F)(Nc1scc(C2CC2)n1)NC(=O)c3ccccc3Cl,0.0
796,CO-ADD:0311422,29.39,c(N(CC1)CCO1)(cc2C)c(F)cc2C(CCC)=O,0.0
797,CO-ADD:0307481,29.37,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=C3C1c4cc5c(cc4Cl)OCO5)CCCC3=O,0.0
798,CO-ADD:0311020,29.34,C(/NC(c1ccccc1)=O)(\C(=O)NC2CC2)=C/c3ccc(C)o3,0.0
799,CO-ADD:0312303,29.34,c(OC)(c(OC)c1)c(OC)cc1C(NCCOc2ccccc2C)=O,0.0
800,CO-ADD:0305123,29.33,N1(CCC)C(=O)\C(\SC1=S)=C\C=C(\Sc(c23)cccc2)/N3CCC,0.0
801,CO-ADD:0300568,29.31,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2C(=O)Nc3ccccc3)c1)Nc4ccccc4,0.0
802,CO-ADD:0300729,29.3,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCN2C(=O)c3ccccc3Cl,0.0
803,CO-ADD:0305814,29.27,c1(NC(COc2ccccc2C)=O)sc(c(C)c1C(OC)=O)C,0.0
804,CO-ADD:0311348,29.27,c1(OC(=O)C=C2C)c2cc(OCC(C)=O)c(Cl)c1,0.0
805,CO-ADD:0307636,29.23,S(NCCOc1ccccc1Cl)(=O)(=O)c(cc2)ccc2N3CCCC3=O,0.0
806,CO-ADD:0312123,29.2,C(=O)(C(O)(c1ccc(cc1)C)c2ccc(cc2)C)NN(c3ccccc3)C(=O)c4ccc(Br)o4,0.0
807,CO-ADD:0312033,29.2,c12c(CCNC1c3ccc(cc3)O)cc(c(OCC)c2)OCC,0.0
808,CO-ADD:0306114,29.17,C(=O)(c1ccc(c(F)c1)F)N(CC2)CCN2c3ccc(cc3F)C(CC)=O,0.0
809,CO-ADD:0304866,29.16,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)C)c5ccc(cc5)Cl,0.0
810,CO-ADD:0300632,29.1,C(C(OCCOc1ccccc1)=O)(C2c(cc3)ccc3C(OC)=O)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
811,CO-ADD:0300561,29.1,S(=O)(=O)(c(ccc(c1C(NCCOC)=O)C)c1)N(CC2)CCO2,0.0
812,CO-ADD:0300761,29.09,C(=O)(Nc(cc1)ccc1N(C)C)C(NCCCn(ccn2)c2)=O,0.0
813,CO-ADD:0304156,29.06,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c3ccc(cc3)Cl,0.0
814,CO-ADD:0301716,29.04,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(ccc(c3OCC)OCCSc4cccc(cccc5)c45)c3)\C1=O)=O,0.0
815,CO-ADD:0303595,29.03,N1(c2ccc(cc2)Cl)C(=O)C(C(C3)C1=O)CC=C3,0.0
816,CO-ADD:0301725,29.02,C(=C\c(ccc(c1OCC)OCCOc2ccccc2OC)c1)(/C(=O)NC(N3)=S)\C3=O,0.0
817,CO-ADD:0304147,29.0,S(=O)(=O)(NC(C)C(O)=O)c1cccc(nsn2)c12,0.0
818,CO-ADD:0302679,28.98,C(Oc1c(C2c(c(O)nc(n3)O)c3O)ccc(O)c1)(C24)=NC(NC4=O)=O,0.0
819,CO-ADD:0301029,28.91,C(N(CCCCC)CCCCC)(=S)Nc1cccc(Cl)c1,0.0
820,CO-ADD:0305304,28.91,C(C(OCC)=O)(C(F)(F)F)(NC(c1ccccc1)=O)Nc2sc3c(CCC(C(C)(C)C)C3)c2C#N,0.0
821,CO-ADD:0304984,28.9,N1(c(cc2)cc(c2C(O)=O)Cl)C(=O)C(C(C3)C1=O)CC=C3,0.0
822,CO-ADD:0302533,28.88,c1(cc(C#N)c(cc1N2CCC(CC2)C)C#N)[N+](=O)[O-],0.0
823,CO-ADD:0301711,28.86,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c3ccccc3OCCOc(cc4)ccc4[N+](=O)[O-])\C1=O)=O,0.0
824,CO-ADD:0304300,28.81,c12n(C(C=C(C)N1)c3ccccc3)nc(SC)n2,0.0
825,CO-ADD:0302568,28.81,c1(cn(c(C)n1)CC#N)[N+](=O)[O-],0.0
826,CO-ADD:0303029,28.81,S1(=O)(=O)c2c(cc(Cl)cc2)c3c(ccc(OC)c3)N1,0.0
827,CO-ADD:0303471,28.76,C1(C#N)(C(C)C(N2)(N)C(C(c3ccc(cc3)OC)C1(C#N)C#N)C)C2=O,0.0
828,CO-ADD:0303535,28.75,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccs4,0.0
829,CO-ADD:0302376,28.73,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(ccc(c34)cccc3)c4)C2c5cccs5,0.0
830,CO-ADD:0300810,28.73,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(cc5OC)cc(c5OC)Br)cccc4,0.0
831,CO-ADD:0302711,28.73,C(/C(=O)CC(C1)C)(\C1=O)=C(/N)\CC(CC2=O)CC(N2)=O,0.0
832,CO-ADD:0304098,28.72,C(C(C)=O)(C1c2ccc(c(OC)c2)OC)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
833,CO-ADD:0302123,28.71,N1(c2ccccc2)C(=O)c3c(cc(cc3)NC(=O)c4ccco4)C1=O,0.0
834,CO-ADD:0303949,28.7,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5cccc(OC)c5OC)cccc4,0.0
835,CO-ADD:0303849,28.69,N(c1ccc(cc1)OCc2ccccc2Cl)(C3)C(=O)CC3C(=O)N(CC4)CCO4,0.0
836,CO-ADD:0302715,28.68,n1(c2cc(C)ccc2Oc3ccc(cc3C(N)=O)S(=O)(=O)N(CC4)CCO4)nc5c(cccc5)n1,0.0
837,CO-ADD:0302897,28.66,C(/C#N)(\C(OCC)=O)=C/Nc1c(C)ccc(Cl)c1,0.0
838,CO-ADD:0302885,28.65,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Nc(cc2)ccc2c3oc(c4n3)cccc4,0.0
839,CO-ADD:0301618,28.65,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(ccc(c56)OCO5)c6)cccc4,0.0
840,CO-ADD:0304274,28.64,N1(c2ccc(cc2)NC(C)=O)C(c3cccs3)N(N=C1C(C)=O)c4ccccc4,0.0
841,CO-ADD:0302487,28.63,C1(C#N)(C#N)C(N1c2ccccc2)c3ccccc3,0.0
842,CO-ADD:0303537,28.62,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc(OC)c(c4OC)OC)c4Br)cc(c(C)c3)C,0.0
843,CO-ADD:0303836,28.62,N(C(C)(C)Cc(c12)cc(c(OC)c1)OC)=C2C#N,0.0
844,CO-ADD:0303715,28.6,c(C(=O)N(CC)CC)(sc(c1C(OCC)=O)N)c1C,0.0
845,CO-ADD:0303707,28.59,C1(=O)c2c(cccc2)NC(\C=C\c3ccccc3)N1c4ccccc4,0.0
846,CO-ADD:0301776,28.58,c12c(C(N(C)C(=O)N1C)=O)n(c(Cl)n2)Cc(cccc3C(F)(F)F)c3,0.0
847,CO-ADD:0301987,28.57,c1(c2ccccc2)cc(c(cc3OC)cc(c3OC)OC)nc(ccc4c5cccn4)c15,0.0
848,CO-ADD:0304839,28.56,C(C(OC)=O)(CC(N1c2cccc(C)c2)=O)=C1C,0.0
849,CO-ADD:0304682,28.53,N1(c2ccc(cc2)OC)C(=O)C(Cc3ccccc3)=C(N=C1SCC(=O)N(CC)CC)O,0.0
850,CO-ADD:0304027,28.53,s1c(N)nnc1SCc2cc(Cl)ccc2Cl,0.0
851,CO-ADD:0301881,28.53,c1(c2c(sc1NC(Cc(cc3)ccc3OC)=O)CCCC2)C(=O)Nc4cccc(cccc5)c45,0.0
852,CO-ADD:0303730,28.51,C1(C)(C)Oc(c2O1)ccc(c2)NC(=O)c3ccco3,0.0
853,CO-ADD:0301579,28.41,c1(C(OCC)=O)c(C)c(sc1N)C(=O)Nc2ccc(cc2OC)OC,0.0
854,CO-ADD:0301580,28.37,C(C(OC)=O)(C1c2ccccc2Br)=C(C)N(C(C)=C1C(OC)=O)C,0.0
855,CO-ADD:0301558,28.36,c(C(=O)C1CC1)(c2N)sc3c2cc(c4n3)CCC4,0.0
856,CO-ADD:0302653,28.34,c1(C(=O)Nc2ccccc2O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
857,CO-ADD:0301619,28.34,c1(cc(Br)c(c23)cccc2)c3NC(=O)CC1c4ccccc4F,0.0
858,CO-ADD:0302495,28.33,N1(C(=O)C=CC1=O)c(cc2Cl)cc(c2N)Cl,0.0
859,CO-ADD:0301698,28.32,[nH]1c(SCc2[nH]c(c(ccc3[N+](=O)[O-])n2)c3)nc4c1ncnc4N,0.0
860,CO-ADD:0304296,28.28,N1(C(=O)CC(SC1=N)C(=O)Nc(cc2)ccc2C(O)=O)\N=C(/C)\c3cccs3,0.0
861,CO-ADD:0301620,28.26,C1(C(OCCOC)=O)=C(C)NC(=C2C1c(ccc3c4c(cccc5)c5n3CC)c4)CCCC2=O,0.0
862,CO-ADD:0319591,28.21,C1(C2c3ccc(cc3)OCC)=C(CC(C)(C)CC1=O)Nc(ccc4c5cccn4)c25,0.0
863,CO-ADD:0319144,28.18,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccc(cc1)F)N2CCCCC2c(cccn3)c3,0.0
864,CO-ADD:0319576,28.11,n12c(S\C(=C\c(cn(n3)C(CC)=O)c3c4ccc(cc4)F)\C1=O)nc(cc(C)c(C)c5)c25,0.0
865,CO-ADD:0318803,28.09,c1(C#N)c(c(cc2)ccc2C(C)C)cc(nc1N)C3CC3,0.0
866,CO-ADD:0319211,28.08,c1(NC(=O)c2c(cccc2OC)OC)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
867,CO-ADD:0321124,28.08,c1(NC(COc2ccccc2[N+](=O)[O-])=O)sc(c3c1C(OC)=O)CCCC3,0.0
868,CO-ADD:0319349,28.07,[N+](=O)([O-])c(cc(cc1Sc2cccc(C)c2)[N+](=O)[O-])c1C,0.0
869,CO-ADD:0319967,28.06,n1(c2ccccc2)c(SCC(=O)c3ccc(C)s3)nnc1c4cccc(F)c4,0.0
870,CO-ADD:0321160,28.03,C(F)(C(OC)=O)(C(F)(F)F)Sc(c1)c2c([nH]1)cccc2,0.0
871,CO-ADD:0319415,28.02,c(CN(c1ccccc1)C(CCCC(O)=O)=O)(c(C)[nH]c2C(OCC)=O)c2C,0.0
872,CO-ADD:0319474,28.01,c1(SCc2c(cccc2F)F)sc(c3n1)cccc3,0.0
873,CO-ADD:0319369,27.99,S1(=O)(=O)c2c(c3N1Cc(nc(N)nc4N5CCCCC5)n4)c(ccc2)ccc3,0.0
874,CO-ADD:0319410,27.98,N1(CCNC(=O)c2ccnn2C)C(C)(O)C(OC1=O)(C)CC\C=C(\C)/C,0.0
875,CO-ADD:0318675,27.98,C1(c(cccc2)c2N3C(C)=O)(C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)F)c14)C3=O,0.0
876,CO-ADD:0318797,27.98,c1(ccoc1C)C(=O)Nc(ccc(c2Cl)F)c2,0.0
877,CO-ADD:0318872,27.95,N1(\N=C(\C)/C=C/c(cc2)ccc2N(C)C)C(=O)CC(SC1=N)C(=O)Nc(cc3)ccc3C(O)=O,0.0
878,CO-ADD:0318696,27.94,c1(C2c3cccc(c3)OC(=O)N(CC4)CCO4)c([nH]nc1c5ccc(cc5)F)OC(N)=C2C#N,0.0
879,CO-ADD:0318671,27.93,S(=O)(=O)(NC(c1ccccc1)CC(O)=O)c2cccc(nsn3)c23,0.0
880,CO-ADD:0318687,27.9,c1(NC(=O)C(OC)(F)C(F)(F)F)sc(c2c1C#N)CCC2,0.0
881,CO-ADD:0320433,27.89,c12c([nH]nc1c3cccs3)OC(N)=C(C#N)C2c(ccc4[N+](=O)[O-])s4,0.0
882,CO-ADD:0325982,27.89,S(=O)(=O)(c1ccc(cc1)SC)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC(C)c4ccccc4,0.0
883,CO-ADD:0327331,27.88,c1(NC(=O)CCN(CC2)CCO2)cc(on1)C.Cl,0.0
884,CO-ADD:0320491,27.88,c1(nc(CCCC2)c2n3)n3cc(C45CC6CC(CC(C6)C4)C5)n1,0.0
885,CO-ADD:0318663,27.88,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1cccc(Cl)c1)Nc2sc3c(CCC(C(C)(C)C)C3)c2C#N,0.0
886,CO-ADD:0326305,27.87,N(C(=O)c(cc1)ccc1C(F)(F)F)C(=O)Nc2cc(on2)C,0.0
887,CO-ADD:0326321,27.87,C(NCCc(c1c([nH]2)cccc1)c2)(C(F)(F)F)(C(F)(F)F)NC(c3ccccc3)=O,0.0
888,CO-ADD:0326329,27.86,c1(cc(nn1c2ccc(cc2)OC(F)(F)Cl)C)NC(=O)Nc(ccc(c3Cl)Cl)c3,0.0
889,CO-ADD:0327180,27.85,n12c(c(c(c3ccc(cc3)CC)c1C(=S)Nc4ccccc4)CCCC5)n5c(c6ccc(cc6)OC)n2,0.0
890,CO-ADD:0327253,27.83,C1(SCC(=O)N1c2cc(C)cc(C)c2)(c3c(N4CN5CCC(CC5)Cc6ccccc6)cccc3)C4=O,0.0
891,CO-ADD:0326606,27.8,n(c(NCC)nc(n1)N\N=C\c2ccccc2I)c1NCC.Cl,0.0
892,CO-ADD:0326416,27.78,N1(CC=C)C(=O)C(N2C1=S)CCC2,0.0
893,CO-ADD:0329661,27.76,[N+](=O)([O-])c1ccccc1NC(Cc(ccc(c2OCC)OCC)c2)=O,0.0
894,CO-ADD:0330005,27.75,C(C(OCC)=O)(N=C(N)C(N1c(cc2)ccc2C(O)=O)=O)=N1,0.0
895,CO-ADD:0329877,27.74,N1(CCc(c2c([nH]3)cccc2)c3C)C(=O)C4C(C(CC45)C=C5)C1=O,0.0
896,CO-ADD:0326855,27.74,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c(cc4)cc(c45)COC5=O)o3,0.0
897,CO-ADD:0327955,27.72,C(O)(C(F)(F)F)(C(F)(F)F)c(cc(Cl)cc1C(O)(C(F)(F)F)C(F)(F)F)c1O,0.0
898,CO-ADD:0328036,27.72,[n+]1([O-])cc(Cl)cc(Cl)c1N(CC2)CCN2C(=S)Nc3ccccc3,0.0
899,CO-ADD:0327860,27.69,N1(c2ccc(cc2)Oc3ccccc3)C(=O)C(SC14CCCCC4)C,0.0
900,CO-ADD:0329455,27.65,n1(CC=C)c(SCc(ccc(c2n3)no3)c2)nnc1c4ccco4,0.0
901,CO-ADD:0319873,27.64,N1C(c(ccc(c2COc(cc3C)cc(c3Cl)C)OC)c2)SCC1C(O)=O,0.0
902,CO-ADD:0327262,27.64,C(C(c1ccccc1)=O)(C2c(cccn3)c3)=C(O)C(N2c4ccc(cc4)OCC(O)=O)=O.Cl,0.0
903,CO-ADD:0327294,27.6,n1(N)c(COc(cc2)ccc2C(C)(C)C)nnc1S,0.0
904,CO-ADD:0328241,27.59,c1(c(O)c(C)c(c(NS(=O)(=O)c2ccc(cc2)OC)c1)C)S(=O)(=O)c3ccc(cc3)OC,0.0
905,CO-ADD:0328322,27.56,S(NCCCC(NCCc(c1c([nH]2)cccc1)c2C)=O)(c3ccccc3)(=O)=O,0.0
906,CO-ADD:0325971,27.53,c1(C(=O)N2c3ccccc3)c(sc(COC(C(C)C)C4)c14)n(c25)cnn5,0.0
907,CO-ADD:0326635,27.49,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)NCc4ccccc4F)n2,0.0
908,CO-ADD:0326852,27.48,N(C1=O)C(NNC(N)=N)C(N1)NNC(N)=N.Cl.Cl,0.0
909,CO-ADD:0328104,27.47,c1(Sc2ncnc(cccc3)c23)nc(N)cc(N)n1,0.0
910,CO-ADD:0328152,27.46,S(=O)(=O)(N(CC1)CCC1C(=O)Nc(cc2)ccc2Cl)c3ccc(c4c3cccn4)OC,0.0
911,CO-ADD:0328369,27.43,c1(NC(=O)c(cccc2S(=O)(=O)Nc(cccc3[N+](=O)[O-])c3)c2)sc(c4c1C#N)CC(CC4)C,0.0
912,CO-ADD:0329817,27.42,N(c1ccccc1C)(CC(=O)c2ccc(cc2)OC([H])(F)F)C3=NCCCS3,0.0
913,CO-ADD:0329426,27.42,C1(=Cc(cccc2OC)c2OC1=O)C(=O)N(CC3)CCN3c4ccc(c(Cl)c4)C,0.0
914,CO-ADD:0329490,27.39,S(=O)(=O)(N(CC1)CCN1c2cccc(Cl)c2)c3c(C(C)C)cc(cc3C(C)C)C(C)C,0.0
915,CO-ADD:0329818,27.37,n12c(SCC(c(ccc(c34)OCCO3)c4)=N1)nnc2COc5ccc(cc5Cl)Cl,0.0
916,CO-ADD:0329850,27.35,n12c(ccc(N=P(c3ccccc3)(c4ccccc4)c5ccccc5)n1)nnc2C(F)(F)F,0.0
917,CO-ADD:0329866,27.34,c1(nsnc1N(CC2)CCO2)OC(=O)N(c3ccccc3)c4ccccc4,0.0
918,CO-ADD:0320355,27.33,C(/C(NCCCN1CCCC1=O)=O)(\NC(=O)c2ccc(c(C)c2)C)=C\c3cccs3,0.0
919,CO-ADD:0325979,27.32,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc(cc4)ccc4OC)[N+](=O)[O-])c13)cccc2,0.0
920,CO-ADD:0327135,27.3,N1(c2ccc(cc2)F)C(=O)\C(\SC1=S)=C\c(cc3OC)cc(c3O)Cl,0.0
921,CO-ADD:0326332,27.3,c1(cc[nH]n1)C(=O)NC(CC2(C)C)CC(N2)(C)C,0.0
922,CO-ADD:0329598,27.26,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3cc(C)ccc3OC,0.0
923,CO-ADD:0326595,27.24,n1(C2CCCCC2)c(SCC(=O)Nc3ccccc3C(F)(F)F)nnc1c4cccc(Br)c4,0.0
924,CO-ADD:0326692,27.24,c12c(ccc(C(=O)Nc(cc3)ccc3Br)c1SC)C(=O)c(c4C2=O)cccc4,0.0
925,CO-ADD:0328977,27.22,c12c(ccc(C(NCCc(c(cccc3C(F)(F)F)c3[nH]4)c4C)=O)c1[N+](=O)[O-])C(=O)c(c5C2=O)cccc5,0.0
926,CO-ADD:0328145,27.21,S(=O)(=O)(c(cccc1C(=O)Nc2sc(c3c2C#N)CC(CC3)C)c1)N4CCCCC4,0.0
927,CO-ADD:0327450,27.19,N1(C(=O)c2cccs2)c3c(cccc3)C(CC1(C)C)(C)c4ccccc4,0.0
928,CO-ADD:0329827,27.17,c1(cnccc1C(=O)Nc(cccc2C(F)(F)F)c2)C(O)=O,0.0
929,CO-ADD:0326514,27.16,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(c(OC)c4)O,0.0
930,CO-ADD:0329568,27.16,S(=O)(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(OCC)=O)c2cc(C)ccc2OC,0.0
931,CO-ADD:0328026,27.16,C1(C2c3cccc(F)c3)=C(c4c(cccc4)C1=O)NC(C)=C2C(OCC)=O,0.0
932,CO-ADD:0328042,27.15,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)NC3CCCNC3=O,0.0
933,CO-ADD:0327970,27.12,c(C(=O)OC(=N1)c2ccco2)(sc3c4c(COC)cc(C)n3)c14,0.0
934,CO-ADD:0329915,27.11,N1(CCC(=O)Nc2ccccc2OC)C(=O)c3c(c(ccc4[N+](=O)[O-])C1=O)c4ccc3,0.0
935,CO-ADD:0329707,27.09,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(c(OC)c3)OC)cc2C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
936,CO-ADD:0319547,27.07,[N+](=O)([O-])c(cc1)cc(c1C(NCC=C)=O)SCc2ccccc2,0.0
937,CO-ADD:0326740,27.07,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(=O)(=O)Nc4sccn4)n1)c5c(cccc5)n2C,0.0
938,CO-ADD:0326118,27.06,C(Cc(ccc(c1OCC)OCC)c1)(=O)Nc2ccccc2,0.0
939,CO-ADD:0326174,27.06,N1(C(c2ccccc2)=O)N(C=CC=N3)C3=NC1=S,0.0
940,CO-ADD:0326522,27.05,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccccc4F,0.0
941,CO-ADD:0326082,27.04,N1(CCCC(=O)OC2CSCC2NC(OC)=O)C(=O)c(c3C1=O)cccc3,0.0
942,CO-ADD:0326090,27.02,o(c(c1ccc(cc1)OCc2cccc(Br)c2)nn3)c3c4cccc(F)c4,0.0
943,CO-ADD:0325964,27.01,C(NCCOC(C1)(CC(CC12)CC3C2)C3)(NC(Cc4ccccc4)=O)(C(F)(F)F)C(F)(F)F,0.0
944,CO-ADD:0325996,27.0,c([N+](=O)[O-])(n1)nc(n1c(c2c3cccc2)c4c(n3)cccc4)Br,0.0
945,CO-ADD:0327584,26.99,c1(C#N)c(COC)cc(nc1SCC(=O)Oc2ccccc2)C,0.0
946,CO-ADD:0329326,26.98,N(C(N)=N)C(NCCc(c1)c2c([nH]1)ccc(OC)c2)=N,0.0
947,CO-ADD:0326778,26.98,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCN3C)n2)CC(=O)C45CC6CC(CC(C6)C4)C5,0.0
948,CO-ADD:0326298,26.98,C1(=C(C)NC(NC1=O)=O)S(=O)(=O)NCC(C2)(CC(CC23)CC4C3)C4,0.0
949,CO-ADD:0328837,26.95,C1([C@H]2[C@H](OC(C)(C)O2)[C@@H](OC)O1)C3NC(=O)NC(C)=C3C(=O)C,0.0
950,CO-ADD:0327334,26.93,C(Cl)(F)(F)Oc(cc1)ccc1NC(=O)CCN2CCC(CC2)C.Cl,0.0
951,CO-ADD:0326020,26.92,S(NCCCCCCC(NCCSc1ccccc1)=O)(c2ccccc2)(=O)=O,0.0
952,CO-ADD:0326533,26.92,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(C(C)(C)C)s4,0.0
953,CO-ADD:0326165,26.9,c1(c2c(cs1)CCCC2)C(=O)N(CC3)CCN3c4ccc(cc4)O,0.0
954,CO-ADD:0329603,26.9,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3ccc(c(C)c3)OC,0.0
955,CO-ADD:0330027,26.89,C1(NC(C)=O)(C(F)(F)F)C(=O)N(C(=O)N1)Cc2ccccc2,0.0
956,CO-ADD:0330059,26.88,C12(CC3CC(CC(C3)C1)C2)C(CC)NC(CSc4[nH]c(c5n4)cccc5)=O,0.0
957,CO-ADD:0329628,26.86,C1(C#N)=C(N)Oc2c(ccc(c2)N(CC)CC)C1c3ccccc3F,0.0
958,CO-ADD:0327345,26.84,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(NCCCn(ccn4)c4)=O)n2.Cl,0.0
959,CO-ADD:0327385,26.83,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(C)o4)cc(c(C)c3)C,0.0
960,CO-ADD:0328786,26.82,N12C(SC(C(F)(F)F)=N1)=NC(=O)\C(=C\c(c(cccc3)c3n4Cc5ccccc5F)c4)\C2=N,0.0
961,CO-ADD:0328227,26.82,c1(c(C)c(cc(C(C)C)c1O)NS(=O)(=O)c2ccc(cc2)Cl)S(=O)(=O)c3ccc(cc3)OC,0.0
962,CO-ADD:0329961,26.8,N#CCc(cc1)ccc1NC(CCCCC)=O,0.0
963,CO-ADD:0326850,26.77,C(F)(F)(F)c(ccc(c1NC(=O)c(cccn2)c2)Oc(cc3)ccc3c4ccccc4)c1.Cl,0.0
964,CO-ADD:0326290,26.74,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)OC)n1Cc5ccco5,0.0
965,CO-ADD:0326602,26.74,N(c1ccccc1C)(C(COc2ccc(cc2Cl)Cl)=NN3CN(CC4)CCO4)C3=S,0.0
966,CO-ADD:0326714,26.73,n1(c(CC)nn2)c2SCC(c3ccc(cc3)C)=N1.Br,0.0
967,CO-ADD:0328447,26.72,N1(c2ccccc2Cl)C(=S)NN=C1c3[nH]nc(c4ccc(cc4)OC)c3,0.0
968,CO-ADD:0328092,26.72,C1(=O)Nc(ccc(c2)C)c2Oc(cc(cc3Oc4ccc(cc4Br)Br)[N+](=O)[O-])c13,0.0
969,CO-ADD:0328900,26.71,c12c(nnc(SCc3ccccc3C)n1)c4c(cccc4)n2CC=C,0.0
970,CO-ADD:0328981,26.7,C(/c(cccc1)c1CC23CCCC2)(\N3)=C\C4=NC5(Cc6c4cccc6)CCCC5,0.0
971,CO-ADD:0328989,26.68,C12(SCC(=O)N1c3ccc(cc3)OC(F)(F)F)c4c(NC2=O)cccc4,0.0
972,CO-ADD:0328125,26.67,S(=O)(=O)(c(cc1)ccc1C(=O)NC(CC)C23CC(CC(C4)C2)CC4C3)N5CCCCC5,0.0
973,CO-ADD:0329251,26.67,c1(N\N=C\c(ccc2c3ccc(cc3)OC(F)(F)F)o2)nncn1N.Cl.Cl,0.0
974,CO-ADD:0328004,26.66,N(CC1)(CCN1CC(=O)Nc(cc2)ccc2OC(F)(F)F)C(OCC)=O,0.0
975,CO-ADD:0329747,26.65,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
976,CO-ADD:0329940,26.64,C(=O)(NCC1OCCc(cccc2)c12)C(NCCO)=O,0.0
977,CO-ADD:0329372,26.63,c1(C(O)=O)cc(OC)c(cc1NC(=O)c2ccccc2F)OC,0.0
978,CO-ADD:0329249,26.61,C1(C)(CCC2=O)N2c(c3C(=O)N1c4ccccc4)cccc3,0.0
979,CO-ADD:0329737,26.61,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(=O)(=O)Nc4onc(C)c4C)n1)c5c(cccc5)n2CCC,0.0
980,CO-ADD:0329258,26.58,C1(S2)(N(c3ccccc3)C(=C2C(OCC)=O)C)N(c4ccccc4)N=C(C(C)=O)S1,0.0
981,CO-ADD:0326856,26.58,N1(CCCCC1c(cccn2)c2)CC#CCO.Cl,0.0
982,CO-ADD:0326648,26.56,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc4ccccc4C(OC)=O)n2,0.0
983,CO-ADD:0328879,26.54,c12c(ccc(C(=O)Nc(cc3)ccc3OC(F)(F)F)c1[N+](=O)[O-])C(=O)c(c4C2=O)cccc4,0.0
984,CO-ADD:0326310,26.54,S(=O)(=O)(N(CC1)CCN1c2ncccn2)c3cccc(nsn4)c34,0.0
985,CO-ADD:0327161,26.53,C12(C#N)C(OCC)(OCC)N=C(N)C1(C23CCCCC3)C#N,0.0
986,CO-ADD:0325926,26.53,C(OC)(F)(C(F)(F)F)C(=O)Oc(ccc(c12)c3c(cccc3)o1)c2,0.0
987,CO-ADD:0327433,26.53,C1(CCC(NC1c2ccccc2OC)=O)[N+](=O)[O-],0.0
988,CO-ADD:0327489,26.52,n1(CC=C)c(SCC(=O)NCc2ccccc2)nnc1c3ccco3,0.0
989,CO-ADD:0328157,26.47,S(=O)(=O)(N(CC1)CCC1C(=O)Nc2cccc(F)c2)c3ccc(c4c3cccn4)OC,0.0
990,CO-ADD:0328041,26.47,C1(=C(CC(C)(C)CC1=O)Nc(c2N3CCc4ccccc4)cccc2)C3c5ccc(c(Cl)c5)Cl,0.0
991,CO-ADD:0328746,26.46,c12c(ccc(C(NS3)=O)c13)C(=O)c(c4C2=O)cccc4,0.0
992,CO-ADD:0328650,26.45,S(c1ccccc1)(=O)(=O)c(cc2)ccc2C(NCCc(c3c([nH]4)cccc3)c4)=O,0.0
993,CO-ADD:0329698,26.45,c1(C(F)(F)F)c2c(n(CC(NCCc(c3c([nH]4)ccc(OC)c3)c4C)=O)n1)CCCC2,0.0
994,CO-ADD:0327382,26.44,C(C(OC)=O)(C1c2ccc(cc2)OC(F)(F)F)=CN(C=C1C(OC)=O)C3CC3,0.0
995,CO-ADD:0327550,26.44,c(nn(c12)c(C)c(c(C)n1)C)(S(=O)(=O)N(CC)CC)n2,0.0
996,CO-ADD:0327566,26.42,S(=O)(=O)(N(CCC)CCC)c1[nH]ncn1,0.0
997,CO-ADD:0328792,26.41,c12c(nnc(SCc(ccc(c3n4)no4)c3)n1)c(c5n2C(C)C)cccc5,0.0
998,CO-ADD:0329993,26.41,c1(cc2c(cc1NC(=O)c3cccc(Cl)c3)OCCO2)C(=O)c4ccccc4Br,0.0
999,CO-ADD:0326697,26.4,c(c1N)(sc2c1cc(c3n2)CCCCC3)c4nc(N)nc(N(CC5)CCO5)n4,0.0
1000,CO-ADD:0328893,26.39,c(nnc1c2ccccc2OC)(o1)c(c(C)nc(c3C(OCC)=O)C)c3,0.0
1001,CO-ADD:0328982,26.39,C1(=C(CCCC1=O)OC(=C23)CCCC2=O)C3c4ccc(c(OC)c4)OC(CCCCCCC)=O,0.0
1002,CO-ADD:0328902,26.38,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2C(=O)OC(C)C)nnc1c3cccs3,0.0
1003,CO-ADD:0326333,26.37,C(=O)(N(C)C(CC1(C)C)CC(N1)(C)C)c2cc[nH]n2,0.0
1004,CO-ADD:0327456,26.37,c(NC(COc(cc1)ccc1C(OC)=O)=O)(c(C(N)=O)nn2c3ccccc3)n2,0.0
1005,CO-ADD:0325927,26.36,C(O)(C(O)=O)(c(cc1Cl)cc(c1O)Cl)C(F)(F)F,0.0
1006,CO-ADD:0326330,26.35,N1(C(C)(C)CC(CC1(C)C)OC(C)=O)OC(=O)c(cc2)ccc2n3cnnn3,0.0
1007,CO-ADD:0325946,26.34,c1(nc(C)cc(OC)n1)Oc2ccc(nn2)OCCOc3ccccc3,0.0
1008,CO-ADD:0327775,26.33,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCC(=O)c(ccc4c5Cc(c46)cccc6)c5)N3c7ccccc7,0.0
1009,CO-ADD:0327376,26.33,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5cccc(OC)c5)cccc4,0.0
1010,CO-ADD:0326646,26.32,n1(n2)c(nc(cc1C(F)(F)Cl)c3cccs3)cc2C(=O)N(CC4)CCS4,0.0
1011,CO-ADD:0326279,26.32,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc4ccccc4)c5ccc(cc5)F,0.0
1012,CO-ADD:0328685,26.3,S(=O)(=O)(c(cccc1S(=O)(=O)c2ccc(cc2)Cl)c1)N3CCC(C(CCCC4)C34)=O,0.0
1013,CO-ADD:0329990,26.3,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccs2)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
1014,CO-ADD:0326749,26.27,C1(c2csc(\C(\C#N)=C\c3cccs3)n2)=C(C)N(N(c4ccccc4)C1=O)C,0.0
1015,CO-ADD:0329780,26.27,c12c(cc(CCC3)c3c1)NC(CC2c4ccccc4F)=O,0.0
1016,CO-ADD:0329349,26.27,N1(C)C(=O)c2c(cc(cc2)Oc(ccc(c3C4=O)C(N4C)=O)c3)C1=O,0.0
1017,CO-ADD:0327933,26.26,c1(C2=O)c(NC(c3ccco3)N2Cc4ccccc4)c(c5s1)c(COC)cc(C)n5,0.0
1018,CO-ADD:0329244,26.24,[nH]1c2c(nc1SCC(=O)Nc3ccccc3C)cccn2,0.0
1019,CO-ADD:0329397,26.23,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)NC3=C(C)N(N(c4ccccc4)C3=O)C,0.0
1020,CO-ADD:0327480,26.21,n1c2c([nH]c1SCC(NCCc(ccc(c3OCC)OCC)c3)=O)cccn2,0.0
1021,CO-ADD:0329530,26.21,N(Cc1ccccc1)(C(=O)C(N2NC(=O)c3cccc(F)c3)CC(=O)Nc(cc4)ccc4OC)C2=S,0.0
1022,CO-ADD:0329554,26.2,n1(N)c(SCC(=O)Nc(cc2)ccc2C)nnc1SCC(=O)Nc(cc3)ccc3C,0.0
1023,CO-ADD:0326368,26.19,c1(N\C(\C(O)=O)=C/C(c2ccccc2)=O)sc(c3c1C#N)CCC3,0.0
1024,CO-ADD:0327443,26.19,N(Cc1ccccc1)(C(=O)C(C23)C(c4ccc(cc4O)OC)NC2(C)C(O)=O)C3=O,0.0
1025,CO-ADD:0328939,26.17,n1(CC=C)c(SCc(nc(N)nc2N3CCCCC3)n2)nnc1c(cccn4)c4,0.0
1026,CO-ADD:0329003,26.16,C1(c2c(N3Cc4ccccc4F)cccc2)(NC(C(C(N5c6ccccc6)=O)C1C5=O)CC(C)C)C3=O,0.0
1027,CO-ADD:0328956,26.16,C1(C(F)(F)F)(NC(C2CCCCC2)=O)C(=O)N(C3=N1)CCS3,0.0
1028,CO-ADD:0329525,26.16,C1(C(=O)N(C)C(N2C)=O)=C2NC(=O)C1(C(F)(F)F)NC(=O)c3ccc(cc3Cl)Cl,0.0
1029,CO-ADD:0329581,26.14,[N+](=O)([O-])c1cccc(c1)C(CC(OCC)=O)NC(=O)c(cc2OC)cc(c2OC)OC,0.0
1030,CO-ADD:0328442,26.14,S(=O)(=O)(Nc(cc1)ccc1CC(O)=O)c2ccc(c(Cl)c2OC)Cl,0.0
1031,CO-ADD:0328866,26.14,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(=O)(=O)Nc4sccn4)n1)c5c(cccc5)n2CCc6ccccc6,0.0
1032,CO-ADD:0327787,26.13,C1C(=O)C(C(=O)C(CC)C(c2ccccc2)O3)=C3CC1(C)C,0.0
1033,CO-ADD:0327899,26.13,C(=O)(c1ccc(cc1Cl)Cl)NC(=O)Nc(cc2)cc(c2N(CC3)CCN3C)Cl,0.0
1034,CO-ADD:0326547,26.12,c12n(nnn1)c(nc(NN)n2)OC,0.0
1035,CO-ADD:0326585,26.11,N1CC(C)CC(O)C1(C)C.Cl,0.0
1036,CO-ADD:0327580,26.1,c1(C#N)c(C)c(Cl)c(nc1SCC(NCCc(ccc(c2OCC)OCC)c2)=O)C,0.0
1037,CO-ADD:0329416,26.08,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)NC(c2ccccc2Cl)CC(OCC)=O,0.0
1038,CO-ADD:0330048,26.05,n1(cnn2)c2c3c(cccc3)nc1c4ccc(cc4)Br,0.0
1039,CO-ADD:0329856,26.05,N1(N=C(\C(=N\Nc2ccccc2OC)\C1=O)C)S(=O)(=O)Cc3ccccc3,0.0
1040,CO-ADD:0327807,26.03,c1cc(nc(c2cc(C)c(O)c([C@]3([H])C[C@H](C(C)(C)C34C)CC4)c2)[nH]5)c5cc1,0.0
1041,CO-ADD:0327847,26.02,C(=N\c1c(C)cccc1C)(/N2)\N=C(N=C2OCC(F)(F)F)OCC(F)(F)F,0.0
1042,CO-ADD:0327943,25.99,S(=O)(=O)(NC1CCCCC1)c2c(C)cc(nc2Cl)Cl,0.0
1043,CO-ADD:0327951,25.99,C(OC)(F)(C(F)(F)F)C(=O)Nc(cc1)ccc1Br,0.0
1044,CO-ADD:0329695,25.99,c1(nc(c2cccc(OC)c2)cc3C(F)(F)F)n3ncc1C(=O)N(C)c4ccc(cc4)OC(F)(F)Cl,0.0
1045,CO-ADD:0328456,25.99,n1(c(C)c(nn1)C(OCC)=O)c2nc(NCC)nc(N(CC3)CCO3)n2,0.0
1046,CO-ADD:0319993,25.97,c(C(=O)Nc(ccc(c12)cccc1)c2)(sc(c34)nc(c(Cl)c3C)C)c4N,0.0
1047,CO-ADD:0321178,25.94,C(/C(OCC)=O)(=C(\F)/SCC(C)=O)\C(F)(F)F,0.0
1048,CO-ADD:0319417,25.9,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3ccc(cc3)F,0.0
1049,CO-ADD:0318986,25.89,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(O)CN(CCCC)CCCC,0.0
1050,CO-ADD:0319996,25.88,S(=O)(=O)(NCc(cc1)ccc1Cl)c2ccc(c3c2cccn3)OC,0.0
1051,CO-ADD:0321141,25.87,n1c[nH]nc1SCC(=O)Nc2ccccc2CC,0.0
1052,CO-ADD:0319332,25.87,[N+](=O)([O-])c1cccc2c1cccc2NC(CCC3CCCC3)=O,0.0
1053,CO-ADD:0318949,25.83,c12c(C(N(C)C(=O)N1C)=O)n(c(N3CCC(CC3)C)n2)CC(=O)c4ccc(cc4)Br,0.0
1054,CO-ADD:0319206,25.81,c1(NC(COc(ccc(c23)OCO2)c3)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
1055,CO-ADD:0318994,25.8,c1(c(C)nn(c2ccccc2)c1O)C(c3ccccc3OCC)c4c(C)nn(c5ccccc5)c4O,0.0
1056,CO-ADD:0319002,25.8,c1(ccccc1Br)C(=O)NCc2cccc(cccc3)c23,0.0
1057,CO-ADD:0319362,25.78,n1c(C)scc1CN(CC2)CCN2C(=O)c3ccc(cc3)Br,0.0
1058,CO-ADD:0319995,25.77,N(=C(/C)\C)/NC(C)=O,0.0
1059,CO-ADD:0319467,25.77,[N+](=O)([O-])c(cc(cc1C(NCCOc(ccc(c23)CCCC2)c3)=O)C(NCCOc(ccc(c45)CCCC4)c5)=O)c1,0.0
1060,CO-ADD:0319071,25.74,n(c(N)cc(n1)O)c1SCC(O)=O,0.0
1061,CO-ADD:0319088,25.74,C1(CCCC)(Nc(cc2)ccc2C)C(=O)N(N(c3ccccc3)C1=O)c4ccccc4,0.0
1062,CO-ADD:0319951,25.73,n1(nnc(C(OCC)=O)c1CSc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)c3nonc3N,0.0
1063,CO-ADD:0319342,25.73,C(CSCc(cc1)ccc1C)(=O)Nc2ccccc2,0.0
1064,CO-ADD:0321174,25.73,C12C(CC3C1SC(CCl)C(F)(F)F)C(C3)C(=O)O2,0.0
1065,CO-ADD:0319044,25.73,C(=O)(c1cccs1)N(CC2)CCN2c3ccc(cc3F)C(CCC)=O,0.0
1066,CO-ADD:0319509,25.72,c1(C2c3c(cccc3Cl)F)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
1067,CO-ADD:0319534,25.71,N1(CCc(c23)cccc2)C3CN\C(=C\C(=O)c4ccc(c(OC)c4)OC)\C1=O,0.0
1068,CO-ADD:0318893,25.7,C1(=C(C=C(C)OC1=O)OC(=C2C#N)N)C2c3cc(Br)ccc3OC(=O)N(CC4)CCO4,0.0
1069,CO-ADD:0318999,25.7,c1(cc(F)c(cc1Cl)F)C(=O)Nc2ccccc2OC(C)C,0.0
1070,CO-ADD:0319031,25.69,c1(NC(=O)\C(\C#N)=C\c2ccccc2)sc(c3c1C(N)=O)CCCC3,0.0
1071,CO-ADD:0320016,25.68,c1(c(ccc2C(=O)N(CC)CC)C(=O)c(c3C1=O)cccc3)c2[N+](=O)[O-],0.0
1072,CO-ADD:0318952,25.67,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCO)c4ccc(cc4)OC,0.0
1073,CO-ADD:0244888,25.67,C1(C2NC(=S)N1)NC(=S)N2,0.0
1074,CO-ADD:0242797,25.66,n1(nnc(C(=O)N\N=C\c2ccccn2)c1CN(CC)CC)c3nonc3N,0.0
1075,CO-ADD:0244161,25.66,c1(cc(OCCCCCCOc(ccc(c2C(O)=O)C(O)=O)c2)ccc1C(O)=O)C(O)=O,0.0
1076,CO-ADD:0242721,25.65,C(=N\c1ccccc1)(/c2c3cccc2)\c(c(C)ccn4)c34,0.0
1077,CO-ADD:0242735,25.64,C(=O)(Nc(cc1)cc(c12)ccc(C)n2)c3ccccc3F,0.0
1078,CO-ADD:0242729,25.64,n(c1c(CCC1)cc2C#N)c2SCC(=O)Nc(cc3)ccc3OC,0.0
1079,CO-ADD:0241412,25.62,N(C(=O)\C(\S1)=C/c(cc2)ccc2OC)=C1N3CCC(CC3)C,0.0
1080,CO-ADD:0245380,25.62,C(F)(F)(C(F)(F)C(F)(F)C(C1(F)F)(F)F)C1(F)C(=O)Nc2ccc(cn2)Cl,0.0
1081,CO-ADD:0245529,25.6,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
1082,CO-ADD:0244530,25.6,C(=O)(N\N=C\c1ccc(cc1OC)OC)c2cccc(c2)NC(CCCC)=O,0.0
1083,CO-ADD:0245285,25.6,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\CCc(ccc(c34)OCO3)c4,0.0
1084,CO-ADD:0245990,25.6,c1(C2c3cc(I)cc(I)c3O)c(c4c(cccc4)s1)Oc(c5c(cccc5)s6)c26,0.0
1085,CO-ADD:0242989,25.59,N(C1=O)\C(=N\CCc(c2)[nH]cn2)\C(C(=O)N1)(CC)CC,0.0
1086,CO-ADD:0242183,25.59,[C@H]1(\C(=N\NC(=O)c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2)\[C@H]3O[C@@H]4CO3)[C@@H]4C1C(c5ccccc5)=O,0.0
1087,CO-ADD:0242172,25.55,[n+]1(noc([O-])n1)c2[nH]nc(C(OC)=O)n2,0.0
1088,CO-ADD:0246231,25.55,C(=O)(NC1CCCCC1)CC(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
1089,CO-ADD:0245430,25.54,c(C#N)(c(\C(\C#N)=C\c(ccc(c1[N+](=O)[O-])N2CCCCC2)c1)nn3c4ccccc4)c3N,0.0
1090,CO-ADD:0241116,25.53,C12(CC(CC3C1)CC(C3)C2)C(=O)Nc4ccccc4F,0.0
1091,CO-ADD:0241683,25.51,C1(C2c3cccc(Cl)c3)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
1092,CO-ADD:0241636,25.51,N1(c2ccc(cc2)F)C(=O)CC(N3CCCCC3)C1=O,0.0
1093,CO-ADD:0242824,25.51,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2OC)cc(c2OC)OC)n(c3c1S(CCC)(=O)=O)cccc3C,0.0
1094,CO-ADD:0241100,25.5,c1(c2ccco2)nnc(SCC(=O)Nc(cc3)ccc3CC)o1,0.0
1095,CO-ADD:0241623,25.5,S(=O)(=O)(c1ccc(cc1)C)NCc(nnc2NC(=O)c3ccc(cc3)NC(=O)C(F)(F)F)s2,0.0
1096,CO-ADD:0245767,25.5,N1(c2ccc(c(C)c2)C)C(=O)c(c(c3C(=O)c(cc4)ccc4C(O)=O)C1=O)cc(c3C(N5c6ccc(c(C)c6)C)=O)C5=O,0.0
1097,CO-ADD:0241744,25.49,C(C#N)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)OC(CC(c3ccccc3)CC4=O)=C14,0.0
1098,CO-ADD:0244978,25.49,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)\N=C\c(cccc4[N+](=O)[O-])c4)n1,0.0
1099,CO-ADD:0244966,25.48,C1(C(=O)Oc(cc2)ccc2OC)=Cc(c3)c(OC1=O)ccc3[N+](=O)[O-],0.0
1100,CO-ADD:0244654,25.47,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c12)cccc1)c2)C(=O)NCC(C)C,0.0
1101,CO-ADD:0244663,25.47,C(=O)(NNCC(OCC)=O)Nc1ccccc1C,0.0
1102,CO-ADD:0244662,25.46,C1(=O)c2c(cccc2)N=C(C)N1.[Cu](OC(C)=O)OC(C)=O,0.0
1103,CO-ADD:0244640,25.46,c1(c2c(cccc2)ccc1OC(=O)c3cccc(N)c3)Cc4c5c(cccc5)ccc4OC(=O)c6cccc(N)c6,0.0
1104,CO-ADD:0245082,25.43,C(=O)(N(CC1)CCN1CCNC(=O)C(=O)Nc(cc2)ccc2OC)c3ccccc3Br,0.0
1105,CO-ADD:0245067,25.42,C(C#N)(C(c(cccn1)c1)C2=C(N3c4ccc(cn4)Br)CCCC2=O)=C3N,0.0
1106,CO-ADD:0244935,25.41,[C@@H](O)([C@@H]1O)N(C)C(=S)N1c(c2)cccc2,0.0
1107,CO-ADD:0244976,25.41,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)\N=C\c(cc4)ccc4Br)n1,0.0
1108,CO-ADD:0244343,25.4,C(F)(F)(C(F)(F)c1[nH]nc(c2ccccc2)c1)C(F)(F)C(F)(F)c3[nH]nc(c4ccccc4)c3,0.0
1109,CO-ADD:0241301,25.4,C1(=S)N(c2cccc(C)c2)C3(\C(=N\c4cccc(C)c4)\N1)CCCCC3,0.0
1110,CO-ADD:0244707,25.39,c(c1c2cccc1)(c3c(n2)cccc3)Nc(c(C)ccc4[N+](=O)[O-])c4,0.0
1111,CO-ADD:0245737,25.39,N1(CC(OCC(=O)Nc2ccccn2)=O)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
1112,CO-ADD:0241795,25.38,c1(cc(ccc1N2CCc(c3C2)cccc3)[N+](=O)[O-])[N+](=O)[O-],0.0
1113,CO-ADD:0242703,25.37,c1(c(cccc2)c2C3(CCC#N)CCC#N)c3cc(cccc4)c4n1,0.0
1114,CO-ADD:0242775,25.36,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c(ccs4)c4,0.0
1115,CO-ADD:0246031,25.36,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5)ccc5Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
1116,CO-ADD:0241443,25.35,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(cc3)ccc3[N+](=O)[O-])nc(NCc4ccco4)n1.Cl,0.0
1117,CO-ADD:0244787,25.34,C1(c2cccc(c2)\N=C\c3ccccc3O)=Cc4c(OC1=O)cccc4,0.0
1118,CO-ADD:0245881,25.32,S(N)(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)\C=C\c2ccco2,0.0
1119,CO-ADD:0242883,25.31,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)NC3CC3,0.0
1120,CO-ADD:0241147,25.31,c1(c2ccc(cc2Cl)Cl)[nH]c3c(ccc(c3)\N=C\c4cccs4)n1,0.0
1121,CO-ADD:0244617,25.3,C(=O)(C(C)(C)O)NNc1ccccc1,0.0
1122,CO-ADD:0242876,25.3,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)\C=C\c4ccccc4)n1,0.0
1123,CO-ADD:0241686,25.29,c1(OC(N)=C(C2c3cccc(Cl)c3)C#N)c2c(n[nH]1)C,0.0
1124,CO-ADD:0241056,25.29,C1(C)(C)CC(CCO1)NCc2ccccc2.Cl,0.0
1125,CO-ADD:0241739,25.28,C1(C#N)(C#N)[C@@H](c2cccs2)[C@@]3([H])C(C(C#N)=C1N)=CCC(c4ccccc4)C3,0.0
1126,CO-ADD:0241992,25.28,C(C#N)(C1c2ccccc2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cccc4C(F)(F)F)c4,0.0
1127,CO-ADD:0241128,25.28,S(=O)(=O)(c(cc1)ccc1N2C(=O)CCC2=O)Oc(cc3)ccc3OC,0.0
1128,CO-ADD:0241675,25.28,c1(C(OC=C)=O)sc2c(c(C)cc(C)n2)c1N,0.0
1129,CO-ADD:0241157,25.28,n(ccn1CC(=O)Nc(cc2)ccc2C(OC)=O)c1,0.0
1130,CO-ADD:0245404,25.27,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc2c3ccccc3[N+](=O)[O-])o2,0.0
1131,CO-ADD:0245409,25.27,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(ccc(c3OC)OCc4ccc(cc4Cl)Cl)c3,0.0
1132,CO-ADD:0241669,25.27,C(C(OCC)=O)(C1c2ccccc2Cl)=C(c3ccccc3)OC(N)=C1C#N,0.0
1133,CO-ADD:0245411,25.26,C1(C(C)=O)=C(C)NC(NC1c2cccc(Br)c2)=O,0.0
1134,CO-ADD:0240586,25.26,c(c1SC)(c(SC)sn1)C(=O)Nc(cc2)ccc2C,0.0
1135,CO-ADD:0241288,25.26,c1(N(CC)CC)nc(N\N=C\c(ccc(c2OC)OCc3ccc(cc3Cl)Cl)c2)nc(Nc(ccc(c4Cl)C)c4)n1,0.0
1136,CO-ADD:0241520,25.26,s1c(C)nnc1SCc2[nH]c(c3n2)cccc3,0.0
1137,CO-ADD:0241498,25.25,C(=O)(C\C(\C)=N\NC(COc(ccc(c12)cccc1)c2)=O)Nc3cccc(Cl)c3C,0.0
1138,CO-ADD:0241020,25.24,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\NC(c(cc3)ccn3)=O)o2)Cl)c1,0.0
1139,CO-ADD:0242915,25.22,c1(c2ccccc2)cc(c3[nH]1)ccc(C)c3,0.0
1140,CO-ADD:0241909,25.21,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(NCCSc(cc3)ccc3Cl)=O,0.0
1141,CO-ADD:0241516,25.21,[N+](=O)([O-])c1c(F)ccc(c1)NC(CSc2sc(c3n2)cccc3)=O,0.0
1142,CO-ADD:0241475,25.21,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c34)OCO3)c4)nc(Nc(cc5)ccc5F)n1.Cl,0.0
1143,CO-ADD:0242134,25.21,N1C(SCC(=O)Nc2ccc(cn2)Br)=NN=C(C)C1=O,0.0
1144,CO-ADD:0242133,25.21,N(C(=O)CSc1[nH]c(c2n1)cccc2)(c3c4cccc3)c5c(S4)cccc5,0.0
1145,CO-ADD:0240498,25.2,C(C(OCC)=O)(=C1C)\C(=C\c2cccc(Br)c2)\C(N1CC(C)C)=O,0.0
1146,CO-ADD:0245434,25.2,c1(nc(c2n1CC(=O)N\N=C\c3cc(Br)cc(Br)c3OCc4ccc(cc4Cl)Cl)cccc2)c5nonc5N,0.0
1147,CO-ADD:0241747,25.2,c1(C#N)c(NCC=C)oc(c(cc(O)n2)O)c12,0.0
1148,CO-ADD:0240523,25.19,[nH]1c(N)nnc1c2ccccc2C,0.0
1149,CO-ADD:0244432,25.19,C(F)(F)(F)C(CN)S.Cl,0.0
1150,CO-ADD:0241844,25.16,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-])nc(Nc(cc6)ccc6C)n1.Cl,0.0
1151,CO-ADD:0241937,25.16,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccc(cc2)F)=O)c3cccs3,0.0
1152,CO-ADD:0244444,25.16,n(cn(n1)CC=C)c1,0.0
1153,CO-ADD:0242394,25.16,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N/NC(=O)c(cccc3[N+](=O)[O-])c3,0.0
1154,CO-ADD:0241507,25.15,C(=O)(Nc(cc1)ccc1C(N)=O)C\C(\C)=N\NC(COc(ccc(c23)cccc2)c3)=O,0.0
1155,CO-ADD:0242682,25.15,[N+](=O)([O-])c(c(C)ccc1C(=O)N2CCC(CC2)C)c1,0.0
1156,CO-ADD:0242662,25.14,C(C1=O)(C23Br)C(C(N1CC=C)=O)C(c(cccc4)c24)(c5c3cccc5)Br,0.0
1157,CO-ADD:0241921,25.09,c1(N(c2ccccc2)C3=O)n(nnn1)c(c34)sc(c45)COC(C)(C)C5,0.0
1158,CO-ADD:0241482,25.09,c1(ccc(cc1OC)SC)C(NCCOc(cc2)ccc2F)=O,0.0
1159,CO-ADD:0244428,25.09,C(=N\NC(N)=S)(/c1c(N2)ccc(C)c1)\C2=O,0.0
1160,CO-ADD:0244412,25.09,c1(nonc1c2ccccc2)[N+]([O-])=Nc3nonc3c4ccccc4,0.0
1161,CO-ADD:0244362,25.09,c1(c(ccc(c1)[N+](=O)[O-])NCc(cccn2)c2)[N+](=O)[O-],0.0
1162,CO-ADD:0242437,25.08,C(=O)(c1ccc(cc1)OC(C)C)NCC(=O)[O-].[Na+],0.0
1163,CO-ADD:0240744,25.07,C(=O)(\C=C\CCCCC)Nc(cc1)ccc1NC(=O)\C=C\CCCCC,0.0
1164,CO-ADD:0240239,25.07,N1(c2c(C)cc(cc2C)C)C(=O)C(C3C1=O)C(CC)(C(C34CC)=O)C(=C4c5ccccc5)c6ccccc6,0.0
1165,CO-ADD:0240939,25.06,s1c(c(cccn2)c2)nnc1NC(=O)c3ccc(cc3)Cl,0.0
1166,CO-ADD:0242307,25.06,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3cccc(Br)c3,0.0
1167,CO-ADD:0240938,25.05,c1(nnc(c2ccccc2)o1)NC(=O)c3ccc(c(OC)c3)OC,0.0
1168,CO-ADD:0244736,25.05,N1(C(C)=O)CC(N(OCC(O)COc2ccccc2)C1c3ccc(cc3Cl)Cl)=O,0.0
1169,CO-ADD:0244515,25.04,C(=O)(N\N=C/c1ccccc1OCC)c2cccc(c2)NC(Cc3ccccc3)=O,0.0
1170,CO-ADD:0240271,25.0,N(C(C)(CCCCCC)NN1c2ccccc2)=C1S,0.0
1171,CO-ADD:0240285,25.0,N1(C(c(cccc2[N+](=O)[O-])c2)CC(c3cc(C)ccc3C)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N6CCCC6)n4.Br,0.0
1172,CO-ADD:0242528,25.0,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c5ccc(cc5Cl)Cl)o4)\C1=O,0.0
1173,CO-ADD:0240245,24.97,s1c(\N=C\c(cc2)ccc2N(C)C)nnc1c3ccccc3,0.0
1174,CO-ADD:0245035,24.95,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2[N+](=O)[O-])CC(=O)N\N=C(\C3)/CCCC3,0.0
1175,CO-ADD:0244414,24.95,C(C)(C)(C(C)=O)NCC(C)=O.Cl,0.0
1176,CO-ADD:0244347,24.95,c12c(OC=CC1=O)c(c(F)c(F)c2F)F,0.0
1177,CO-ADD:0241858,24.94,c1(N(CC)CC)nc(N\N=C\c(ccc(c2[N+](=O)[O-])Br)c2)nc(Nc(ccc(c3Cl)C)c3)n1.Cl,0.0
1178,CO-ADD:0244941,24.93,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
1179,CO-ADD:0242465,24.92,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)\N=C\c4ccccc4O)n1,0.0
1180,CO-ADD:0240845,24.92,[N+](=O)([O-])c1ccc(cc1NC(C)C23CC(CC4C2)CC(C4)C3)N(CC5C)CC(N5)C,0.0
1181,CO-ADD:0240330,24.91,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc(cc2)ccc2OC)c3ccc(cc3Cl)Cl,0.0
1182,CO-ADD:0244287,24.9,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3C)c1,0.0
1183,CO-ADD:0242973,24.89,S(=O)(=O)(Oc1ccccc1)c2c(ccc(Br)c2)\C=C\c3ccc(cc3S(=O)(=O)Oc4ccccc4)Br,0.0
1184,CO-ADD:0241941,24.88,n1c2c(oc1c3cccc(Br)c3)ccc(c2)NC(=O)c(ccc(c4[N+](=O)[O-])C)c4,0.0
1185,CO-ADD:0241949,24.86,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)O1)=C/c(cn(n3)C(C)=O)c3c4ccccc4,0.0
1186,CO-ADD:0242554,24.86,N1(CCSC1c2ccccc2)C(=O)c(cccn3)c3,0.0
1187,CO-ADD:0241676,24.83,c(C(OC=C)=O)(sc(c12)nc(cc1C(F)(F)F)c3ccccc3)c2N,0.0
1188,CO-ADD:0244473,24.82,n1(c2ccccc2)nnnc1SCc(cc3)ccc3CSc4nnnn4c5ccccc5,0.0
1189,CO-ADD:0242594,24.82,c1(N\N=C\c(ccc(c2[N+](=O)[O-])OC)c2)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
1190,CO-ADD:0241835,24.82,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3[N+](=O)[O-])nc(Nc(ccc(c4Cl)C)c4)n1.CC(=O)O,0.0
1191,CO-ADD:0242744,24.82,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(cc3)ccc3C)n2)N(CC4)CCO4,0.0
1192,CO-ADD:0245399,24.81,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c4cccc(Cl)c4Cl)o3,0.0
1193,CO-ADD:0245342,24.8,N1(c2ccccc2OC)C(=O)CC(N(CC3)CCN3S(c4ccccc4)(=O)=O)C1=O,0.0
1194,CO-ADD:0241415,24.78,c12c(ccc(O)c1C)\C(\CCC2)=N\OC(=O)c3ccccc3F,0.0
1195,CO-ADD:0244606,24.78,C1(C([H])(C)C2=C(C)N(N(c3ccccc3)C2=O)C)=C(C)N(N(c4ccccc4)C1=O)C,0.0
1196,CO-ADD:0240243,24.76,C1(Nc(cc2)ccc2C(O)=O)OC(CO)C(C(O)C1O)O,0.0
1197,CO-ADD:0240776,24.76,c1(C(=O)N\N=C\c2cc(Br)cc(Br)c2OCc3ccc(cc3Cl)Cl)nonc1N,0.0
1198,CO-ADD:0240221,24.75,[N+](=O)([O-])c1ccc(cc1C)c2ccc(C=O)o2,0.0
1199,CO-ADD:0240873,24.74,N1(c(cc2)ccc2S(=O)(=O)Nc(cc3)ccc3OC)C(=O)c(c4C1=O)cccc4,0.0
1200,CO-ADD:0240858,24.73,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2OC)N3CCCCC3,0.0
1201,CO-ADD:0240819,24.73,N1(c2ccccc2)CC(CC1=O)C(NCCc(cc3)ccc3F)=O,0.0
1202,CO-ADD:0242487,24.73,N1(CCCC1=O)c(cc2)ccc2C(=O)N\N=C\c(cc3)ccc3N(C)C,0.0
1203,CO-ADD:0241466,24.71,c1(N(C)C)nc(N\N=C\c(ccc(c2OC)OC)c2)nc(Nc(cc3)ccc3F)n1.Cl,0.0
1204,CO-ADD:0240827,24.71,C1(=S)Nc(c2S1)ccc(c2)\N=C\c3ccccc3O,0.0
1205,CO-ADD:0240532,24.71,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
1206,CO-ADD:0245418,24.7,N1C(=O)\C(\SC1=N)=C/c2ccccc2OCc3ccc(cc3Cl)Cl,0.0
1207,CO-ADD:0246038,24.7,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4I)cc(c4OCC=C)I)\C1=O,0.0
1208,CO-ADD:0245330,24.7,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2OC)cc(c2OC)OC)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
1209,CO-ADD:0245301,24.69,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)\N=C\c(cc4)ccc4Cl)n1,0.0
1210,CO-ADD:0244237,24.69,C(=N\c1ccccc1C#N)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
1211,CO-ADD:0245042,24.69,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)\N=C\c(cc4)ccc4[N+](=O)[O-])n1,0.0
1212,CO-ADD:0244998,24.68,N1(CCCC1C(=O)Nc2c(C)cc(cc2C)C)C3CCCCC3,0.0
1213,CO-ADD:0244945,24.68,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2OC)N(CC3)CCO3,0.0
1214,CO-ADD:0245534,24.67,N1(CC(=O)OCC(=O)c(cc2)ccc2[N+](=O)[O-])C(=O)c3c(c4C1=O)c(c5cc3)c(cc4)CC5,0.0
1215,CO-ADD:0240423,24.67,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(\c3ccc(cc3)F)/c4ccc(cc4)F)c5nonc5N,0.0
1216,CO-ADD:0241571,24.66,n1c2c(oc1c(cc3)ccc3N(C)C)ccc(c2)\N=C\c4cccc(OC)c4O,0.0
1217,CO-ADD:0240941,24.66,C1(C2c3ccc(cc3)OCCCCCC)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC4=O)=C24,0.0
1218,CO-ADD:0240725,24.66,C(c(cc1)ccn1)(=O)N\N=C(\C)/CC(C)=O,0.0
1219,CO-ADD:0240153,24.65,C(=O)(N(C)c1ccccc1)C\C(\C)=N/NC(Cc(cc2)ccc2OC)=O,0.0
1220,CO-ADD:0242082,24.63,S(=O)(=O)(N(CC1)CCO1)c2c(OC)ccc(c2)C(=O)Nc3nnc(c4ccccc4)s3,0.0
1221,CO-ADD:0242222,24.62,c1(\C=N\NC(=O)c(cccn2)c2)cc(Br)cc(Br)c1OCc3ccc(cc3Cl)Cl,0.0
1222,CO-ADD:0246216,24.62,n(c(cccc1N=Nc2c(O)ccc(cccc3)c23)c1n4C)c4C,0.0
1223,CO-ADD:0241189,24.61,N1(C(=O)c(c2C1=O)ccc(c2)C(=O)Nc3cc(OC)c(cc3C(O)=O)OC)N4C(=O)c5c(cccc5)C4=O,0.0
1224,CO-ADD:0241421,24.61,C12(\C=N\c3cccc(C)c3)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OCC)=O)c(cccc7)c27,0.0
1225,CO-ADD:0240961,24.61,C1(C(C)=O)=Cc(cccc2CC=C)c2OC1=O,0.0
1226,CO-ADD:0241803,24.6,c(C(=O)Nc1ccc(cc1C#N)Cc(ccc(c2C#N)NC(=O)Cc3c(C#N)cc(c(N)n3)C#N)c2)(c(N)c(c45)cc(c(N)n4)C#N)s5,0.0
1227,CO-ADD:0241908,24.58,n1c2c([nH]c1c3ccc(cc3)NC(=O)c(cccc4[N+](=O)[O-])c4)ccc(c2)NC(=O)c(cccc5[N+](=O)[O-])c5,0.0
1228,CO-ADD:0240512,24.57,c(cc(C(=O)Nc(cc1)ccc1Cl)cc2[N+](=O)[O-])([N+](=O)[O-])c2Nc3ccccc3,0.0
1229,CO-ADD:0241851,24.57,c1(N(CC2)CCO2)nc(Cc3ccc(cc3Br)C)nc(N\N=C\c(cc4)ccc4N(CC5)CCO5)n1.Cl,0.0
1230,CO-ADD:0245423,24.57,c1(\N=C\c2cc(Br)cc(Br)c2OCc3ccc(cc3Cl)Cl)[nH]c(c4n1)cccc4,0.0
1231,CO-ADD:0240507,24.57,c1(cc(ccc1N2CCCCC2)\C=N\NC(N)=S)[N+](=O)[O-],0.0
1232,CO-ADD:0241241,24.57,c1(c2cc(OC)c(OC)c1)C(=O)OC(c3ccc(cc3)Oc(cc4)ccc4[N+](=O)[O-])=N2,0.0
1233,CO-ADD:0242616,24.57,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(CCCC)=O)sc(c3n1)cccc3,0.0
1234,CO-ADD:0240748,24.57,C(=O)(NC(Cc(cc1)ccc1O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(O)=O)C(CO)NC(OCc2ccccc2)=O,0.0
1235,CO-ADD:0244750,24.56,C(CC(C)(C)CC1=O)(Nc2cc(C)ccc2C)=C1,0.0
1236,CO-ADD:0240818,24.56,C(=N)(N1CCCCC1)\C(\C#N)=N\Nc2ccccc2C(F)(F)F,0.0
1237,CO-ADD:0240832,24.55,[N+](=O)([O-])c1cccc(\C=N\c2ccccc2N(CC3)CCO3)c1O,0.0
1238,CO-ADD:0240276,24.54,C(=O)(c1ccc(cc1)OC)N(CC2)CCN2CCNC(=O)C(=O)Nc3ccccc3,0.0
1239,CO-ADD:0240384,24.54,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\C=C(/C)\C=C(/C)\C)c3nonc3N,0.0
1240,CO-ADD:0240663,24.53,c1(nnc2\N=C\c3ccco3)n2ncn1N,0.0
1241,CO-ADD:0240647,24.53,N1(Cc(cccn2)c2)C(C)(O)C(OC1=O)(C)CC,0.0
1242,CO-ADD:0244521,24.52,C(=O)(c1ccccc1C)Nc(cccc2C(=O)N\N=C/c3cccc(cccc4)c34)c2,0.0
1243,CO-ADD:0240262,24.51,C(=O)(CN1CCCCC1)Nc2ccccc2C,0.0
1244,CO-ADD:0241952,24.51,C(C(OCC)=O)(C1c2ccc(cc2)OCC)=C(N)OC(CCCC3=O)=C13,0.0
1245,CO-ADD:0242386,24.5,C1(C#N)(C#N)[C@@H](c2cccc(OC)c2)[C@]([H])(C3)C(C(C(O)=O)=C1N)=CCN3Cc4ccccc4,0.0
1246,CO-ADD:0241473,24.5,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3OC)OC)c3)nc(Nc4ccc(cc4Br)C)n1,0.0
1247,CO-ADD:0240496,24.5,N1(CCN(CC2)CCO2)C(=S)SC(C)(C)C1N(O)C(=O)Nc(cc3)ccc3Cl,0.0
1248,CO-ADD:0242326,24.5,c(c(C)nn1c2cccc(C)c2)(\C=C(/C(C)=NN3c4ccccc4)\C3=O)c1O,0.0
1249,CO-ADD:0245518,24.5,C(C#N)(C1c2ccccc2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
1250,CO-ADD:0240374,24.49,C1(C(=O)N\N=C\c2cccc(Cl)c2Cl)CC1c3ccccc3,0.0
1251,CO-ADD:0240408,24.48,C(C#N)(C1c2ccc(cc2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
1252,CO-ADD:0241438,24.47,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c4ccc(cc4Cl)Cl)nc(Nc(cc5)ccc5C)n1.Cl,0.0
1253,CO-ADD:0245443,24.47,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c(cc5)c(OC)cc5[N+](=O)[O-])o4)\C1=O.Cl.Cl,0.0
1254,CO-ADD:0240906,24.47,c1(nonc1N)\C(=N/OCC)\Nc2ccccc2C,0.0
1255,CO-ADD:0240887,24.47,c1(NC(CN(CCCCCC)CCCCCC)=O)c2c(cccc2)nc(CCC3)c13,0.0
1256,CO-ADD:0245313,24.46,N1(CCc2ccccc2)\C(=N\c3ccccc3)\SC(CC(=O)Nc4ccccc4[N+](=O)[O-])C1=O,0.0
1257,CO-ADD:0242790,24.46,c1(SCc(ccc(c2[N+](=O)[O-])OC)c2)nnnn1C,0.0
1258,CO-ADD:0242431,24.46,C(C(=O)c1ccc(cc1)Cl)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2c(cc4)ccc4S(N)(=O)=O)=O,0.0
1259,CO-ADD:0244837,24.46,CN(C(=S)N1C)C(C1N2)N3C(S\C(=C(/C4=O)\c5c(cccc5)N4CC)\C3=O)=N2,0.0
1260,CO-ADD:0242418,24.45,C(=N\c1ccccc1Cl)(/S\C(\C2=O)=C\c(cc3)ccc3OCc(cc4)ccc4[N+](=O)[O-])\N2,0.0
1261,CO-ADD:0240298,24.45,N1(c2cc(Cl)cc(Cl)c2)C(=O)CC(N(CC3)CCN3c4ccccc4)C1=O,0.0
1262,CO-ADD:0245050,24.44,[C@@H]1(C(=O)NNC(=O)C23CC(CC4C2)CC(C4)C3)C[C@H]1c5ccccc5,0.0
1263,CO-ADD:0244687,24.42,[BH]1234[BH]56([BH]17([BH]58([C]9([BH]78%10%11)([BH]%12%13%14[BH]2%15%16%17)([BH]%10%12%15%18)CCC#N)[C]69%13%19CCC#N)[BH]3%11%16%18)[BH]4%14%17%19,0.0
1264,CO-ADD:0245716,24.42,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cccn2)c2)c3c(OC)ccc(OC)c3,0.0
1265,CO-ADD:0241961,24.42,N1(c(cccc2C(F)(F)F)c2)C(=O)C(C3(C)C1=O)C(CC34)C=C4,0.0
1266,CO-ADD:0244592,24.41,[N+](=O)([O-])c(cc(Oc(cc1)ccc1C(=O)Nc(cc(OC)cc2[N+](=O)[O-])c2)cc3[N+](=O)[O-])c3,0.0
1267,CO-ADD:0241233,24.41,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2c(C)cc(c(c2C)[N+](=O)[O-])C,0.0
1268,CO-ADD:0240880,24.41,C12(CC(CC3C1)CC(C3)C2)C(NCCCCc4ccccc4)=O,0.0
1269,CO-ADD:0240960,24.4,C1(C(C)=O)=Cc(c2)c(OC1=O)ccc2[N+](=O)[O-],0.0
1270,CO-ADD:0240454,24.4,C(C#N)(C(c1ccc(cc1)OC)C2=C(N3c4cccc(C)c4)CCCC2=O)=C3N,0.0
1271,CO-ADD:0240273,24.39,N1(c2ccccc2[N+](=O)[O-])C(=O)C(C3C1=O)C(CC)(C(C34CC)=O)C(=C4c5ccccc5)c6ccccc6,0.0
1272,CO-ADD:0240130,24.39,[N+](=O)([O-])c1ccc(cc1)CC(=O)N\N=C\c(cc2)ccc2C(O)=O,0.0
1273,CO-ADD:0240472,24.39,C(C#N)(C1c(cccc2[N+](=O)[O-])c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
1274,CO-ADD:0240393,24.38,C(C#N)(C(c1ccc(c2c1)OCO2)C3=C(N4c5cccc(c5)[N+](=O)[O-])CCCC3=O)=C4N,0.0
1275,CO-ADD:0240281,24.37,[N+](=O)([O-])c1cc(ccc1OC)CSc2ccccn2,0.0
1276,CO-ADD:0242096,24.37,N(C(=O)\C(\S1)=C/c(cc2)ccc2OC)=C1N(CC3)CCO3,0.0
1277,CO-ADD:0245410,24.37,n1c(N2CCC(CC2)Cc3ccccc3)c(Nc(cc4)ccc4F)nc(non5)c15,0.0
1278,CO-ADD:0245776,24.37,N1(c2ccccc2)C(=O)c3c(cc(cc3)NC(=O)c(cc(cc4C(=O)Nc(ccc(c5C6=O)C(N6c7ccccc7)=O)c5)NC(=O)c(cc8)ccc8[N+](=O)[O-])c4)C1=O,0.0
1279,CO-ADD:0241774,24.34,C1(C#N)(C#N)[C@@H](c2ccc(cc2)SC)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C(C)(C)C,0.0
1280,CO-ADD:0246082,24.34,N(C(=O)\C(\S1)=C/c(cc2)ccc2O)=C1N3CCCCC3,0.0
1281,CO-ADD:0242117,24.34,c1(cc(Cl)c(cc1C(O)=O)Cl)C(=O)Nc(cc2)ccc2[N+](=O)[O-],0.0
1282,CO-ADD:0242119,24.34,c(Oc1ccccc1)(nc(NCCN(CC2)CCO2)nc3Oc4ccccc4)n3,0.0
1283,CO-ADD:0241606,24.32,n(c1C)(nnc1C(=O)N\N=C(/C)\c2ccco2)c3nonc3N,0.0
1284,CO-ADD:0242309,24.32,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3[N+](=O)[O-])N(C)C)c3,0.0
1285,CO-ADD:0244725,24.32,C(OC=C1c2ccc(cc2)Cl)(=C(C#N)C(c3ccc(cc3)O)C=C4c5ccccc5)N14,0.0
1286,CO-ADD:0242358,24.31,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCc3ccccc3Cl)c4cccs4,0.0
1287,CO-ADD:0240445,24.31,c1(cc(cc(OC)c1OC(C)=O)\C=C(/SC(N2)=S)\C2=O)[N+](=O)[O-],0.0
1289,CO-ADD:0245055,24.3,n1(c2ccccc2)c(SCc(cc3)ccc3Br)nnc1c4ccco4,0.0
1290,CO-ADD:0241308,24.3,N1(c2ccc(cc2C)C)C(=O)c(c3C1=O)ccc(c3)C(OC4=O)=Nc(c45)cc(c(OC)c5)OC,0.0
1291,CO-ADD:0242280,24.3,C(=C/c(cc1)ccc1O)(/C2=O)\Sc(c23)cccc3,0.0
1292,CO-ADD:0242241,24.3,c1(c(Cl)cc(c(\C=N\NC(=O)Nc2ccccc2)c1)Cl)[N+](=O)[O-],0.0
1293,CO-ADD:0242564,24.29,c1(\C=N\CC2CCCO2)cc(Br)ccc1O,0.0
1294,CO-ADD:0242540,24.28,N1(c2ccc(cc2)OC)C(=O)C(C(C1=O)C(C)(c(c34)cccc3)c5c6cccc5)C46C,0.0
1295,CO-ADD:0242106,24.28,C(NCCOc(ccc(c1C)C)c1)(=O)\C=C\c2ccccc2,0.0
1296,CO-ADD:0240888,24.28,S1(=O)(=O)c(cccc2)c2C(Nc3cccc(Cl)c3C)=N1,0.0
1297,CO-ADD:0240881,24.28,S(=O)(=O)(N1CCC(CC1)C)c2cccc(cccn3)c23,0.0
1298,CO-ADD:0240595,24.27,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc2ccc(cn2)Cl,0.0
1299,CO-ADD:0242238,24.27,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)Nc2ccccc2,0.0
1300,CO-ADD:0244472,24.26,C1(OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCNC(CCCCCCCCCCCCCCCCC)=O)C(O)=O)C(C(CO)OC(O)C1NC(C)=O)OC2OC(CO)C(C(O)C2NC(C)=O)O,0.0
1301,CO-ADD:0242151,24.24,[N+](=O)([O-])c(cccc1\C=C(/C(NCCOC(C)=O)=O)\NC(c2ccccc2)=O)c1,0.0
1302,CO-ADD:0244809,24.24,n1c(c2ccc(cc2)C)csc1N\N=C(\C)/c3ccc(cc3)Cl,0.0
1303,CO-ADD:0245850,24.23,C1(N(C(CCl)=O)c2ccccc2Cl)=NC(CS1)=O,0.0
1304,CO-ADD:0245734,24.23,n1(nnc(C(=O)N\N=C(/C)\c(cccn2)c2)c1CN(CC3)CCO3)c4nonc4N,0.0
1305,CO-ADD:0244701,24.22,[N+](=O)([O-])c(ccc(c1\C=N\c2ncccc2NC(OCC)=O)O)c1,0.0
1306,CO-ADD:0244651,24.21,S(c1ccccc1)(=O)(=O)N\N=C(/C)\c2ccc(cc2)Cl,0.0
1307,CO-ADD:0245310,24.2,c1(SCC(=O)N\N=C\c2ccccc2OCC=C)sc(c3n1)cccc3,0.0
1308,CO-ADD:0245294,24.18,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(=O)c3c(O)cc(c4c3)cccc4,0.0
1309,CO-ADD:0245587,24.17,c1(Sc2ccc(\C=N\NC(=O)c3c(O)cc(c4c3)cccc4)o2)nnc(c5ccccc5)n1c6ccccc6,0.0
1310,CO-ADD:0245910,24.17,C(=S)(Nc(cc1)ccc1C(OCCN(CC)CC)=O)NC(=O)\C=C\c(ccc(c2OC)OC)c2,0.0
1311,CO-ADD:0242631,24.15,c1(scc(c(cccc2[N+](=O)[O-])c2)n1)NC(=O)c(cccn3)c3,0.0
1312,CO-ADD:0241585,24.15,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C)c1CSc3nc(C)c(c(C)c3C#N)CC=C,0.0
1313,CO-ADD:0241724,24.15,C(\C(\CC1)=C\c2cccc(Br)c2)(O3)=C1C(C(C#N)=C3N)c4cccc(Br)c4,0.0
1314,CO-ADD:0245964,24.14,N1(CN(CC2)CCO2)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
1315,CO-ADD:0241493,24.13,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4ccccc4Cl)\N2,0.0
1316,CO-ADD:0246199,24.13,c1(c2c(cccc2)cc(cccc3)c13)\C=N\c(cc4)ccc4C(N)=O,0.0
1317,CO-ADD:0246192,24.13,n(c1c(CCC1)cc2C#N)c2SCC#N,0.0
1318,CO-ADD:0241218,24.13,c1(C2(CCCCC2)N(C)C=O)nnnn1c3cccc(C)c3,0.0
1319,CO-ADD:0245576,24.12,C(=O)(c1cccc(cccc2)c12)Nc3ccc(cn3)C,0.0
1320,CO-ADD:0241253,24.12,S(=O)(=O)(c1ccc(cc1)C)NCc(nnc2NC(CCCOc3ccc(cc3Cl)Cl)=O)s2,0.0
1321,CO-ADD:0246172,24.11,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2c(cccc2Cl)F,0.0
1322,CO-ADD:0246154,24.11,c1(nc(c2n1CC(=O)N\N=C\c(cc3OCC)cc(c3O)I)cccc2)c4nonc4N,0.0
1323,CO-ADD:0241087,24.11,C1(c2ccccc2)=C(C1C(=O)Nc(cc3)ccc3[N+](=O)[O-])c4ccccc4,0.0
1324,CO-ADD:0241670,24.11,c1(C#N)c(SCc2ccccc2C)nsc1SCc3ccccc3C,0.0
1325,CO-ADD:0244247,24.1,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\NC(=O)CC(=O)N\N=C\c(cc3)ccc3OC(=O)c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4)c1,0.0
1326,CO-ADD:0241039,24.1,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2\C=N\c(cc3)ccc3F)[N+](=O)[O-],0.0
1327,CO-ADD:0244688,24.1,C(=O)(N(CC)CC)C(C)(Cl)CSSCC(C)(Cl)C(=O)N(CC)CC,0.0
1328,CO-ADD:0244645,24.1,c1(ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Oc2cccc(cccn3)c23,0.0
1329,CO-ADD:0244896,24.09,C1(C2NC(=S)N1)N(C(CO)(C)C)C(=O)N2,0.0
1330,CO-ADD:0245888,24.08,C1(c2ccccc2)(CC1(Cl)Cl)C(=O)Nc(cc3)ccc3C#N,0.0
1331,CO-ADD:0241808,24.08,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccccc2I)Nc3cc(OC)ncn3,0.0
1332,CO-ADD:0244332,24.07,C1(N(CC)S(C)(=O)=O)=C(C)N(N(c2ccccc2)C1=O)C,0.0
1333,CO-ADD:0246019,24.07,N1(N=C(CC1(O)c2cccc(Br)c2)C)C(=O)C(F)(F)F,0.0
1334,CO-ADD:0241970,24.07,C(C#N)(C1c2sccc2C)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
1335,CO-ADD:0241556,24.06,C(OCC)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2C(C)C,0.0
1336,CO-ADD:0246049,24.06,n(nnc1C(=O)N\N=C\c2ccccc2)(c1COC)c3nonc3N,0.0
1337,CO-ADD:0241309,24.06,N1(c(ccc(c2C(O)=O)O)c2)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(cc4)ccc4C(O)=O,0.0
1338,CO-ADD:0241814,24.06,c1(N(CC2)CCO2)nc(N\N=C\c(c(Cl)ccc3[N+](=O)[O-])c3)nc(Nc(cc4)ccc4F)n1.CC(=O)O,0.0
1339,CO-ADD:0241237,24.05,c1(nonc1N)C(=O)N2CCCCCC2,0.0
1340,CO-ADD:0245616,24.05,c1(C(=O)Oc2ccccc2\C=N\c(cc3)ccc3OC)c(Cl)c4c(cccc4)s1,0.0
1341,CO-ADD:0241311,24.05,N1(c2ccccc2C(O)=O)C(=O)c(c3C1=O)cc(c4c3c5ccccc5)cccc4,0.0
1342,CO-ADD:0245608,24.05,c1(cc(cc(C(O)=O)c1Nc(cc2)ccc2Cl)[N+](=O)[O-])[N+](=O)[O-],0.0
1343,CO-ADD:0241146,24.04,C(OCCN(CC1)CCN1CCOC(=O)c2ccc(cc2)F)(=O)c3ccc(cc3)F.Cl.Cl,0.0
1344,CO-ADD:0241751,24.04,c1(OC(N)=C(C2c3cccc(cccc4)c34)C#N)c2c([nH]n1)C,0.0
1346,CO-ADD:0241488,24.04,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)OCC(c3ccccc3)=O,0.0
1347,CO-ADD:0242858,24.04,C1(C(OCC)=O)=C(C)NC(C(C#N)=C1c2ccc(cc2)Cl)=S,0.0
1348,CO-ADD:0241680,24.03,c1(C#N)c(SCC(=O)Nc2c(Br)cc(cc2Br)Br)nsc1SCC(=O)Nc3c(Br)cc(cc3Br)Br,0.0
1349,CO-ADD:0242145,24.03,N(CCN1C(=O)CN2CCCCC2)(C(c3ccccc3)=O)C1,0.0
1350,CO-ADD:0242894,24.02,c1(c(ccc(c2[N+](=O)[O-])C)c2)c(C)c3c(cccc3)[nH]1,0.0
1351,CO-ADD:0245468,24.02,c1(C(=O)N\N=C\c(ccc(c2)N(CC)CC)c2OCc3ccc(cc3Cl)Cl)nonc1N,0.0
1352,CO-ADD:0244886,24.02,C1(C2NC(=S)N1)N(CCC)C(=O)N2,0.0
1353,CO-ADD:0244864,24.02,C(N(C)C(=O)N1C)(C1N2)N3C(S\C(=C/c(cc4)ccc4Br)\C3=O)=N2,0.0
1354,CO-ADD:0241789,24.01,C(C(OCC)=O)(C1c(cc2)ccc2C(F)(F)F)=C(c3ccccc3)OC(N)=C1C#N,0.0
1355,CO-ADD:0246079,24.01,[N+](=O)([O-])c(cc(Oc(cc1)ccc1CCC(=O)N2CCCCC2C)cc3[N+](=O)[O-])c3,0.0
1356,CO-ADD:0245971,24.0,C1(C)(c2c(c(cccc3)c13)cccc2)C(=O)Nc(cc4)ccc4OC,0.0
1357,CO-ADD:0241289,23.99,C1(=S)N(c2ccc(cc2)Br)C3(\C(=N\c4cccc(C)c4)\N1)CCCCC3,0.0
1358,CO-ADD:0245983,23.99,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3C=O)C1=O,0.0
1359,CO-ADD:0244614,23.98,C(=O)(N\N=C(/C)\c1ccccc1O)C(O)(c2ccc(cc2)OC)c3ccc(cc3)OC,0.0
1360,CO-ADD:0245499,23.98,n1c(c2ccccc2)nnn1CC(=O)N\N=C\C=C\c3ccccc3,0.0
1361,CO-ADD:0241531,23.97,c(CSC(N(CC)CC)=S)(c(C)c1C)c(C)c(c1Br)C,0.0
1362,CO-ADD:0245927,23.97,c1(N2CCCCC2)cc(N\N=C\c(cccc3[N+](=O)[O-])c3)nc(C)n1,0.0
1363,CO-ADD:0242809,23.96,C(C(OCC)=O)(C1c2ccc(cc2)Br)=C(C)N(C(C)=C1C(OCC)=O)c3ccc(cc3)OCC,0.0
1364,CO-ADD:0244812,23.95,c1(ccccc1Sc2ccccc2C#N)C(NCCOc3cccc(OC)c3)=O,0.0
1365,CO-ADD:0242943,23.95,c1(ccccc1Br)C(=O)N\N=C\CCCC,0.0
1366,CO-ADD:0245870,23.95,S(=O)(=O)(Nc(cccc1C(C)=O)c1)c2ccc(c(Cl)c2)Cl,0.0
1367,CO-ADD:0241161,23.94,n1c2c(oc1c3cccc(OC)c3)ccc(c2)NC(=O)c4ccc(cc4Cl)Cl,0.0
1368,CO-ADD:0246052,23.94,N1(C(c2ccc(c(OC)c2)OC)CC(c3cccs3)=N1)c4scc(c5ccc(cc5)CC(C)C)n4.Br,0.0
1369,CO-ADD:0245827,23.94,C1(c2cccc(F)c2)=Nc(c3C(=O)O1)cccc3,0.0
1370,CO-ADD:0241730,23.94,C1(C#N)(C#N)[C@H](c2ccc(cc2F)F)[C@@]([H])(C3)C(C(C#N)=C1N)=CCN3C(C)=O,0.0
1371,CO-ADD:0245711,23.93,[N+](=O)([O-])c(cc(cc1Sc2c(F)ccc(Br)c2)[N+](=O)[O-])c1C,0.0
1372,CO-ADD:0245684,23.93,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3cc(Br)ccc3F)c4nonc4N,0.0
1373,CO-ADD:0241760,23.93,C12(c3c(NC1=O)cccc3)C(C(=O)OCc4ccccc4)=C(C)OC(N)=C2C(=O)OCc5ccccc5,0.0
1374,CO-ADD:0245597,23.92,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
1375,CO-ADD:0244873,23.92,C(N(C)C(=O)N1C)(C1N2)N=C(SC3(C(c4ccc([N+](=O)[O-])cc4)CN(C)C3(c(cccc5)c5N6)C6=O)C7=O)N27,0.0
1376,CO-ADD:0244199,23.92,N1(c(cccc2C(=O)c3ccc(c(C)c3)C)c2)C(=O)C(C4C1=O)C(CC45)C=C5,0.0
1377,CO-ADD:0241543,23.91,N1(C(=O)C=CC(O)=N1)CN(c2ccccc2)c3ccccc3,0.0
1378,CO-ADD:0244208,23.91,N(C)(c1ccc(cc1)NC(C)=O)C(C)=O,0.0
1379,CO-ADD:0312581,23.91,C1=C[C@@]2([C@]([C@]34[H])([H])[C@@]5(O[C@H]3C(C(OC6=O)=O)C56)CN(C(OC(C)(C)C)=O)C2)O[C@H]14,0.0
1380,CO-ADD:0312589,23.91,C1=C[C@@]2([C@]([C@]3(CN(C2)C(C(F)(F)F)=O)O[C@H]4C=C3)([C@]45C(OC)=O)C(OC)=O)O[C@H]15,0.0
1381,CO-ADD:0312507,23.9,C(C(C1)[C@@H]2C(=O)N1c3ccccc3)c(c4[C@H]2C(OC)=O)oc(c4)C,0.0
1382,CO-ADD:0306953,23.89,C1(=O)Nc2c(Oc(cc(cc3Oc4cccc(Cl)c4Cl)[N+](=O)[O-])c13)cccc2,0.0
1383,CO-ADD:0306945,23.89,N1(c2ccc(cc2)OCCCC)C(=O)C(CC1=O)Cl,0.0
1384,CO-ADD:0305828,23.89,c1(NC(=O)c2cccc(OC)c2)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
1385,CO-ADD:0306811,23.89,C1(C(=O)OCC(C)C)=C(C)NC(=C2C1c3cccc(cccc4)c34)CCCC2=O,0.0
1386,CO-ADD:0310848,23.88,N(C1=O)C(=O)C(C(=O)N1)C(CCCC)=O,0.0
1387,CO-ADD:0306145,23.88,c1(C(OCC)=O)nnn(Cc2ccccc2)c1N,0.0
1388,CO-ADD:0311978,23.87,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)N(CC3)CCN3C(=O)c4ccccc4F,0.0
1389,CO-ADD:0311795,23.87,N1(CCCCCC1)c(cc2)ccc2C(=O)c3ccc(cc3)F,0.0
1390,CO-ADD:0306133,23.87,c1(S(=O)Cc2ccccc2)c(N)c(c3s1)c(C)cc(C)n3,0.0
1391,CO-ADD:0307331,23.87,N1(N=C(\C(=C(/C)\NNC(c(cc2)ccn2)=O)\C1=O)C)c3sc(c4n3)cccc4,0.0
1392,CO-ADD:0306920,23.87,c1(Cl)c(ccc(Cl)c1)OCC(=O)Nc2ccccc2,0.0
1393,CO-ADD:0305920,23.86,n1(CCN(CC)CC)c2c(cc1C(OCC)=O)cccc2.Cl,0.0
1394,CO-ADD:0312549,23.86,c1cc(C(=O)NC(c2oc(C)cc2)N3)c3cc1,0.0
1395,CO-ADD:0312541,23.86,c1([C@@H]([C@@H](C(=O)N(C2)c3ccccc3)C2C4)c5ccccc5)c4scc1,0.0
1396,CO-ADD:0312479,23.86,[C@@]1(O[C@@](CN2c3ccccc3)(CC1)[C@@H]4C2=O)(C4)C,0.0
1397,CO-ADD:0311995,23.86,N(CCc(c12)cc(c(OC)c1)O)(C2C)C(=O)c3ccco3,0.0
1398,CO-ADD:0312193,23.86,c1(N(CC2)CCO2)c(cc(c3n1)ccc(C)c3)\C=C(\c(cc4)ccc4[N+](=O)[O-])/C#N,0.0
1399,CO-ADD:0311419,23.86,c1(Nc(cc2)ccc2OC(F)(F)F)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
1400,CO-ADD:0311477,23.86,S(=O)(=O)(c1ccc(cc1)OCC)Nc(cc2)ccc2c3csc(C)n3,0.0
1401,CO-ADD:0311498,23.85,C1(=NCC(C)S1)N(c2ccc(cc2)OC(F)(F)F)C(=O)Nc3cccc(Cl)c3,0.0
1402,CO-ADD:0311220,23.85,N1(CC(O)CN(c2ccc(cc2)C)S(c3ccccc3)(=O)=O)C(=O)C(NC1=O)(C)C,0.0
1403,CO-ADD:0306996,23.85,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5cc(OC)ccc5OC)c24,0.0
1404,CO-ADD:0310833,23.84,n1(C)c(NC)nnc1SCc2ccc(cc2Cl)Cl,0.0
1405,CO-ADD:0311564,23.84,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)Br)n1Cc5ccccc5,0.0
1406,CO-ADD:0311144,23.84,N1(c2cccc(Cl)c2)C(=O)c(c(c3)C1=O)cc(c3[N+](=O)[O-])Br,0.0
1407,CO-ADD:0305778,23.84,[N+]1(C(C)Cc2ccccc2)=NO\C(=N\C(=O)Nc(cccc3C(F)(F)F)c3)\[CH-]1,0.0
1408,CO-ADD:0307117,23.84,S(=O)(=O)(NC(C)(C)C#C)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4OC(Cl)(F)F)c1,0.0
1409,CO-ADD:0312108,23.83,C(=O)(c(cc1)ccc1C#Cc2ccccc2)N(CC3)CCN3c4ccc(cc4)OC,0.0
1410,CO-ADD:0305462,23.83,S(=O)(=O)(Cc1ccccc1)c2ccccc2C(O)=O,0.0
1411,CO-ADD:0311390,23.82,C(/C(NCCc(c1c([nH]2)cccc1)c2)=O)(\NC(c3ccccc3)=O)=C/c4ccc(C)o4,0.0
1412,CO-ADD:0305587,23.82,N1=C(c2ccc(cc2)C)c(cccc3)c3C(=O)N1CCc4ccccc4,0.0
1413,CO-ADD:0305600,23.82,S(=O)(=O)(N\N=C/c1c(cccc1Cl)Cl)c2c(C)cc(nc2Cl)Cl,0.0
1414,CO-ADD:0311214,23.81,[N+](=O)([O-])c1ccccc1OCC(O)Cn(c2c(n3)cccc2)c3,0.0
1415,CO-ADD:0307493,23.81,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4ccccc4C,0.0
1416,CO-ADD:0306999,23.8,c1(NC(=O)CCn2c3c(nn2)cccc3)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
1417,CO-ADD:0312333,23.79,N1(C2CC2)C(C)(O)C(OC1=O)(C)C,0.0
1418,CO-ADD:0312400,23.78,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cccs5,0.0
1419,CO-ADD:0311512,23.77,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(cc3)OCC,0.0
1420,CO-ADD:0312427,23.77,C12(c3c(N(CC)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)F)c24,0.0
1421,CO-ADD:0310936,23.76,c1(non2)c2nc(NCCO)c(Nc(cc3)ccc3C)n1,0.0
1422,CO-ADD:0307009,23.76,c1(NC(=O)c(cccc2[N+](=O)[O-])c2C)sc(c(C)c1C(OCC)=O)C,0.0
1423,CO-ADD:0312282,23.76,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCC(NCCOc4ccccc4)=O)N3c5ccccc5,0.0
1424,CO-ADD:0306720,23.76,C(C(c1ccccc1)=O)C(c2ccc(cc2)F)Nc3ccccc3,0.0
1425,CO-ADD:0305785,23.76,C12(c3c(NC1=O)cccc3)C4=C(c5c(cccc5)C4=O)NC(c6c(cccc6)C7=O)=C27,0.0
1426,CO-ADD:0307628,23.76,S(=O)(=O)(c(cc1)cc(c12)CCN2S(C)(=O)=O)Nc3ccccc3C,0.0
1427,CO-ADD:0307620,23.75,c1(cccc(F)c1F)C(=O)N(CC2)CCN2c(cc3)c(F)cc3C(c4ccccc4)=O,0.0
1428,CO-ADD:0307041,23.75,C(=O)(c1ccc(c(Cl)c1)Cl)N(CC2)CCN2c(cc3C)c(F)cc3C(C)=O,0.0
1429,CO-ADD:0307471,23.75,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(OCCOc5ccccc5)=O,0.0
1430,CO-ADD:0311930,23.75,c1(ccc(cc1OCC(NCCc(ccc(c2OC)OC)c2)=O)OC)C(c3ccccc3)=O,0.0
1431,CO-ADD:0307595,23.75,c(c1c(s2)CCCC1)(C(=O)N(C)C(=N3)SCC(=O)Nc(ccc(c4s5)nc5SCC(OCC)=O)c4)c23,0.0
1432,CO-ADD:0310981,23.74,N1(C(=O)c(c2C1=O)ccc(C(c3ccccc3)=O)c2)c4sc(c5c4C#N)CC(CC5)C,0.0
1433,CO-ADD:0307069,23.74,c1(cc(F)c(cc1[N+](=O)[O-])F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
1434,CO-ADD:0305781,23.74,c1(NC(COc(cc2C)cc(c2Cl)C)=O)sc(c3c1C(N)=O)CCCC3,0.0
1435,CO-ADD:0311140,23.73,n1(c2ccc(c(C)c2)C)nnnc1SCC(=O)Nc(cc3)ccc3Br,0.0
1436,CO-ADD:0312644,23.72,[C@@H](C(=O)[C@H](C)[C@@H](c1ccc(c2ccccc2)o1)N3C(=O)C(F)(F)F)([C@@H]3c(cc4)oc4c5ccccc5)C,0.0
1437,CO-ADD:0323407,23.72,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(NCCc3ccccc3)=O)n2)Cc(cc4)ccc4C(C)(C)C,0.0
1438,CO-ADD:0321468,23.71,n1(CC(=O)NC2(CCCCC2)C(=O)Nc3ccccc3)nnnc1N,0.0
1439,CO-ADD:0324556,23.71,c12c(CCNC1C(C)CC)cc(c(OCC)c2)OCC.Cl,0.0
1440,CO-ADD:0323865,23.7,N1(c2ccc(cc2)N=Nc3ccccc3)C(=O)\C(\SC1=N)=C\c(cc4)ccc4OCc5ccccc5F,0.0
1441,CO-ADD:0323578,23.7,N(\C(=C\c1ccccc1OC(=O)\C=C\C)\C(O2)=O)=C2c3ccc(cc3)Cl,0.0
1442,CO-ADD:0323602,23.7,C1(c2ccccc2)=CC(OC(c3ccc(cc3)OCc4ccccc4F)O1)=O,0.0
1443,CO-ADD:0323536,23.7,N1(c2c(cccc2Cl)Cl)c(cc(cc3)C=O)c3\C(=C\OCC)\C1=O,0.0
1444,CO-ADD:0323587,23.7,N(CCc(c1c([nH]2)cccc1)c2C)(C(c3ccccc3)=O)C4(CCCCC4)C(=O)Nc5c(C)cccc5C,0.0
1445,CO-ADD:0319784,23.7,c1(NC(=O)c2cccc(OC)c2)sc(c3c1C(OCC)=O)CCCCC3,0.0
1446,CO-ADD:0319697,23.69,N(c1c(cccc1)NC(CC(c2ccc(cc2)Cl)CC3=O)=C34)(C(=O)C5CC5)C4c6ccc(cc6)F,0.0
1447,CO-ADD:0319705,23.69,C1(C2c(cc3)ccc3C(F)(F)F)=C(CC(c4cccs4)CC1=O)Nc(c5N2C(C)=O)cccc5,0.0
1448,CO-ADD:0320359,23.68,c1(nonc1N)\C(\N)=N\N,0.0
1449,CO-ADD:0320271,23.68,c(C(=O)Nc1cccc(cccc2)c12)(sc(c34)nc(c(Cl)c3C)C)c4N,0.0
1450,CO-ADD:0320295,23.68,c1(C2OCCO2)noc(cc(cc3Sc(cc4)ccc4Cl)[N+](=O)[O-])c13,0.0
1451,CO-ADD:0320283,23.67,c1(C(OC)=O)sc(c2c1N)cc(cc2SCC(OCC)=O)[N+](=O)[O-],0.0
1452,CO-ADD:0320031,23.66,c1(nonc1N)\C(\N)=N\OCc(cc2)ccc2C#N,0.0
1453,CO-ADD:0320964,23.66,n1(c2cccc(cccc3)c23)c4c(nn1)cc(C#N)c(C#N)c4,0.0
1454,CO-ADD:0323257,23.66,N1(CCCCCC(=O)Nc2ccccc2OCCCC)C(=O)c(c3C1=O)cccc3,0.0
1455,CO-ADD:0319825,23.65,N1(CC(=O)N2c3c(cccc3)C(=CC2(C)C)C)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
1456,CO-ADD:0320041,23.65,[N+](=O)([O-])c1c(NCCc(ccc(c2OCC)OCC)c2)ccc(c1)C(F)(F)F,0.0
1457,CO-ADD:0320665,23.65,c1(NC(c2ccccc2)=O)nonc1c3ccc(cc3)Cl,0.0
1458,CO-ADD:0320121,23.65,c12c(c(c3n1C(C)=O)cccc3)NC(=S)N2Cc4ccccc4,0.0
1459,CO-ADD:0319786,23.65,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
1460,CO-ADD:0320299,23.65,S(=O)(=O)(Nc1cc(OC)c(cc1C(O)=O)OC)c2cccc(nsn3)c23,0.0
1461,CO-ADD:0320229,23.64,n1(c2ccccc2)cc(c(CCc(c3c4)cn4c5ccccc5)c1)CC3,0.0
1462,CO-ADD:0320825,23.63,S(=O)(=O)(N1CCCCC1)c(ccc(c2S3)NC3=O)c2,0.0
1463,CO-ADD:0320969,23.62,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2Cc3csc(C)n3,0.0
1464,CO-ADD:0320881,23.6,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc(ccc(c4OC)OC)c4)c5ccc(cc5)Br,0.0
1465,CO-ADD:0323005,23.59,N1(CCc(cc2)ccc2F)C(=O)NC(\C(=C/c3cccc(cccc4)c34)\C1=O)=O,0.0
1466,CO-ADD:0320874,23.59,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCN3C)n2)CC(=O)c4ccc(cc4)OC,0.0
1467,CO-ADD:0320715,23.58,N1(c2ccccc2Cl)C(CSCC(=O)Nc3ccccc3)=Nc(c4C1=O)cccc4,0.0
1468,CO-ADD:0319425,23.57,c1(ncn2CC(=N)N(CC3)CCO3)c2C(N(C)C(=O)N1C)=O,0.0
1469,CO-ADD:0323668,23.57,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OC)c4)O,0.0
1470,CO-ADD:0323125,23.57,S(=O)(=O)(Nc1ccccc1OC)c2ccc(c3c2cccn3)OC,0.0
1471,CO-ADD:0323349,23.57,C1(=C(CC(c2ccco2)CC1=O)Nc(c3N4C(CCCCC)=O)cccc3)C4c5cccs5,0.0
1472,CO-ADD:0324191,23.56,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3ccc(c(OC)c3)O,0.0
1473,CO-ADD:0324208,23.55,C1(CCC(NC1c2ccc(cc2)C)=O)[N+](=O)[O-],0.0
1474,CO-ADD:0320627,23.55,c1(C(=O)NCc2oc(cc2C(OCC)=O)C(C)(C)C)c3c(oc1C)CCCC3,0.0
1475,CO-ADD:0320651,23.55,n1(CC(=O)NC2(CCCCC2)C(=O)Nc3ccccc3C)nnnc1N,0.0
1476,CO-ADD:0320333,23.55,S(=O)(=O)(c1ccc(cc1)NC(CSc2nnc(c(cccn3)c3)n2CC=C)=O)Nc4nc(C)cc(C)n4,0.0
1477,CO-ADD:0321443,23.54,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)OCC(F)(F)F,0.0
1478,CO-ADD:0320851,23.54,N1(c2ccccc2OC)C(=O)c3c(NC1c4cccc(Cl)c4Cl)cccc3,0.0
1479,CO-ADD:0321212,23.54,n(CCOc(cc1)ccc1C)(c(ncnc2N)c2n3)c3SCCO,0.0
1480,CO-ADD:0321221,23.54,N1(CCCC(=O)ON2C(C)(C)CC(CC2(C)C)OC(c3ccccc3)=O)C(=O)c(c4C1=O)cccc4,0.0
1481,CO-ADD:0320892,23.53,c1(SCC(=O)Nc(ccc(c23)OCO2)c3)[nH]c(c4n1)ccc(OCC)c4,0.0
1482,CO-ADD:0323482,23.53,c1(C(F)(F)F)nnc(SCC(=O)Nc(cc2)ccc2Oc3ccccc3)n1N,0.0
1483,CO-ADD:0323540,23.53,C(c1c(cccc1)NC2(C)C)(\C(=N\c(cc3)ccc3S(=O)(=O)NC(c4ccccc4)=O)\SS5)=C25,0.0
1484,CO-ADD:0320365,23.53,C(=CC(\C=C\c(cccc1Oc2ccccc2)c1)=NC3=O)(C(F)(F)F)N3,0.0
1485,CO-ADD:0320155,23.52,C1(C2c3ccc(cc3)F)=C(CCCC1=O)Nc(ccc4c5ccc(n4)C)c25,0.0
1486,CO-ADD:0320179,23.5,C(c1ccc(c2n1)cccc2)(C(C[N+](=O)[O-])c3c(N4CC(OCC)=O)cccc3)=C4,0.0
1487,CO-ADD:0323103,23.48,c1(C(NCCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)=O)cc(F)c(cc1Cl)F,0.0
1488,CO-ADD:0323577,23.48,N(\C(=C\c(cc1)cc(c1OC(=O)\C=C\C)OC)\C(O2)=O)=C2c3ccc(cc3)Cl,0.0
1489,CO-ADD:0323697,23.48,c1(OC)cc(CNCCc(ccc(c2OC)OC)c2)ccc1O.Cl,0.0
1490,CO-ADD:0323144,23.47,c1(C(OCC)=O)c(O)cc(nc1C)C,0.0
1491,CO-ADD:0320223,23.46,C1(C2c(cc3)ccc3c4ccccc4)=C(CCCC1=O)Nc(ccc5c6ccc(n5)C)c26,0.0
1492,CO-ADD:0321366,23.46,c(SCCC(O)=O)(c1c2cccc1)c(CCC)c(n2)C,0.0
1493,CO-ADD:0324541,23.46,C(=N/c(cc1Cl)cc(c1O)Cl)(/SC(C(=O)Nc(cc2)ccc2OC(F)(Cl)F)CC3=O)\N3CCc4ccccc4,0.0
1494,CO-ADD:0324837,23.46,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)cc(c3OC(=O)c4ccc(cc4)F)OC)\C2=N,0.0
1495,CO-ADD:0324597,23.46,c1(c2c(sc1NC(Cc(ccc(c3OCC)OCC)c3)=O)CCCC2)C(=O)OC(C)C,0.0
1496,CO-ADD:0324758,23.46,C(C(c1ccccc1)=O)(C2c3cccc(OC)c3)=C(O)C(N2c4ccc(cc4)OCC(O)=O)=O,0.0
1497,CO-ADD:0320274,23.45,n1(CC=C)c(SCC(=O)Nc2nnc(CC)s2)nnc1c3ccco3,0.0
1498,CO-ADD:0320411,23.45,N1(CCCCCC(=O)Nc2ccc(c(cccn3)c23)Br)C(=O)c(c4C1=O)cccc4,0.0
1499,CO-ADD:0321445,23.45,c1(SCC(=O)NCC(CC(CC2C3)CC34)(C4)C2)oc(c5n1)cccc5,0.0
1500,CO-ADD:0320973,23.45,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3C,0.0
1501,CO-ADD:0320838,23.45,n1(nc(c2n1)cccc2)c3cc(C)cc4c3oc(n4)S,0.0
1502,CO-ADD:0320751,23.45,C(=C\c(ccc1c(cccc2C(OC)=O)c2)o1)(/C3=O)\Sc(c34)cccc4,0.0
1503,CO-ADD:0324458,23.44,C1(C(NCCc(ccc(c2OCC)OCC)c2)=O)=Cc3c(OC1=O)ccc(Br)c3,0.0
1504,CO-ADD:0324051,23.44,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccc(c(F)c3)F)N4CCCCCC4)[N+](=O)[O-],0.0
1505,CO-ADD:0324531,23.44,c1(c2cccc(O)c2)c3c(CC(C)CC3)nc(ccc(cccc4)c45)c15.Cl,0.0
1506,CO-ADD:0324684,23.43,n1(CC=C)c(SCC(=O)Nc2cccc(Br)c2)nnc1c(cccn3)c3,0.0
1507,CO-ADD:0324444,23.43,S(NCCOC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4c(Cl)ccc(Cl)c4,0.0
1508,CO-ADD:0324484,23.43,n1(cnnn1)c(cc(OC)cc2NC(c(cc3)ccn3)=O)c2,0.0
1509,CO-ADD:0320235,23.43,c1([nH]nc2NC(=O)Nc(ccc(c3Cl)Cl)c3)c2c(cc(C)n1)C,0.0
1510,CO-ADD:0320815,23.42,n1(c2ccccc2OC)c(S)nnc1Cc(cc3)ccc3Cl,0.0
1511,CO-ADD:0320983,23.41,c12c(CCNC1C(CCC=C3)C3)cc(c(OCC)c2)OCC,0.0
1512,CO-ADD:0323030,23.41,n(c(F)cc(n1)F)c1NCCCC(O)=O,0.0
1513,CO-ADD:0323078,23.4,C(=O)(Nc1ccccc1OCCCC)C(C(F)(F)F)C(F)(F)F,0.0
1514,CO-ADD:0323222,23.4,S(=O)(=O)(N(CC1)CCN1C(=O)C2CCCO2)c3c(C)ccc(nsn4)c34,0.0
1515,CO-ADD:0320233,23.4,S(=O)(=O)(Nc(ccc(c1Cl)Cl)c1)c2ccc(c3c2cccn3)OC,0.0
1516,CO-ADD:0321292,23.39,C12(SC=C(C(OCC)=O)S1)C(C(OCC)=O)=CSC(C(N3C(C)=O)(C)C)=C2c(cc(OCC)cc4)c34,0.0
1517,CO-ADD:0324647,23.39,C(=C\c(cc1)ccc1O)(/C(=O)NC(N2)=O)\C2=O,0.0
1518,CO-ADD:0323184,23.39,C1(C(OCCOCC)=O)=C(C)NC(=O)CC1c2cccc(Cl)c2,0.0
1519,CO-ADD:0324736,23.39,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5ccc(cc5OC)OC)cccc4,0.0
1520,CO-ADD:0323105,23.38,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(c3ccccc3)c1CN4CCCCC4C,0.0
1521,CO-ADD:0323129,23.38,c(nn(c12)c(C)cc(C)n1)(S(=O)(=O)Nc3ccccc3[N+](=O)[O-])n2,0.0
1522,CO-ADD:0321358,23.37,c12c(cccc1C)c(C)cc(SCC(O)=O)n2,0.0
1523,CO-ADD:0319938,23.37,c1(cc(OC)cc(OC)c1)C(=O)c(cc2)ccc2C(=O)Nc(ccc3c4cccn3)c4,0.0
1524,CO-ADD:0324086,23.37,C(=O)(Nc1ccccc1)C(C2CCCO2)CC(O)=O,0.0
1525,CO-ADD:0323756,23.37,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(NCCc(c4c([nH]5)cccc4)c5)=O)n2,0.0
1526,CO-ADD:0323924,23.37,c1(S[C@H]2C\C(=N\O)\[C@H](O3)O[C@@H]2C3)nc(c4ccc(c5c4)cccc5)cc(n1)C(F)(F)F,0.0
1527,CO-ADD:0320226,23.37,C1(C(c2ccc(cc2)OCc3ccccc3F)c4c(N5)ccc(cccc6)c46)=C5c7c(cccc7)C1=O,0.0
1528,CO-ADD:0319848,23.37,c1(OCC(NCCc(c2c([nH]3)cccc2)c3C)=O)c(F)c(F)cc(F)c1F,0.0
1529,CO-ADD:0320552,23.37,C(C(N)c1ccc(cc1)OCc2ccccc2)C(O)=O,0.0
1530,CO-ADD:0321478,23.37,N1C(=O)CC(SC1=N)C(=O)Nc2cccc(cccc3)c23,0.0
1531,CO-ADD:0321247,23.35,n1(N)c(SCC(=O)Nc2nnc(C)s2)nnc1c(cccn3)c3,0.0
1532,CO-ADD:0321255,23.34,C(=O)(Nc(ccc(c1Br)C)c1)CCN(CC2)CCN2C,0.0
1533,CO-ADD:0319271,23.34,S1(=O)(=O)c2c(c3N1Cc(nc(N)nc4N(CC5)CCO5)n4)c(ccc2)ccc3,0.0
1534,CO-ADD:0321344,23.33,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(cc3)ccc3OCc(cc4)ccc4F)\C1=N,0.0
1535,CO-ADD:0319311,23.33,C(N)(COc(cc1)ccc1C=O)=O,0.0
1536,CO-ADD:0321242,23.32,N1(c(cccc2C(F)(F)F)c2)C(=O)C(N(CCc(ccc(c3OCC)OCC)c3)C1=S)CC(=O)Nc(cc4)ccc4C(OC)=O,0.0
1537,CO-ADD:0321266,23.31,n1(nnc(C(OCC)=O)c1CSc2[nH]c(c3n2)cccn3)c4nonc4N,0.0
1538,CO-ADD:0324485,23.31,c1(SCC(NCCC(CC(CC2C3)CC34)(C4)C2)=O)[nH]c(c5n1)cccc5,0.0
1539,CO-ADD:0324662,23.31,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c3cc(C)ccc3OC,0.0
1540,CO-ADD:0319282,23.3,C(CSCc1ccccc1)(=O)Nc2ccccc2,0.0
1541,CO-ADD:0321267,23.29,S(=O)(=O)(NCc(cc1)ccc1S(N)(=O)=O)c2cccc(nsn3)c23,0.0
1542,CO-ADD:0320522,23.29,[nH]1c(cccc2)c2c(CCNC(=O)c3ccccc3Br)c1C,0.0
1543,CO-ADD:0320533,23.28,c12c(CCNC1c3ccc(cc3)NC(C)=O)cc(c(OCC)c2)OCC,0.0
1544,CO-ADD:0319930,23.27,C1(c2ccccc2)(C(NCCc3scc(c4ccccc4)n3)=O)CC1,0.0
1545,CO-ADD:0320587,23.27,C(CC#N)(C1)(CC2CC1CC3C2)C3,0.0
1546,CO-ADD:0321560,23.26,c1(SC(C)C(O)=O)nc(N)cc(N)n1,0.0
1547,CO-ADD:0324587,23.26,C(O)(=O)c1cccc(OC(C)C)c1,0.0
1548,CO-ADD:0324891,23.24,S(=O)(=O)(N1CCCC1C(O)=O)c2c(C)ccc(nsn3)c23,0.0
1549,CO-ADD:0320595,23.24,C(C(N)c1cccc(c1)OCC(N)=O)C(O)=O,0.0
1550,CO-ADD:0319931,23.24,[N+](=O)([O-])c(cc(cc1C(NCCOc2ccccc2c3ccccc3)=O)C(NCCOc4ccccc4c5ccccc5)=O)c1,0.0
1551,CO-ADD:0320350,23.24,n1(c2ccccc2Cl)nc(c3c1CC(C)(C)CC3=O)C,0.0
1552,CO-ADD:0320559,23.23,[nH](c(ccc(c1)OC)c1c2CCN)c2C,0.0
1553,CO-ADD:0320351,23.23,C1(=O)N(CCN(C)C)C(C)=CC(=O)N1C,0.0
1554,CO-ADD:0323182,23.23,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(c(OC)c5OC)OC,0.0
1555,CO-ADD:0323623,23.23,C(NCC(C1)(C2)CC(CC2C3)CC13)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccco4,0.0
1556,CO-ADD:0321473,23.23,c1(c2ccccc2[N+](=O)[O-])nnc(ccc(cccc3)c34)n14,0.0
1557,CO-ADD:0312360,23.22,c1(C2c3ccc(c(OCC)c3)OCC)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
1558,CO-ADD:0307543,23.22,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cc6c(cc5Br)OCO6)cccc4,0.0
1559,CO-ADD:0312448,23.22,c1(N(CC2)CCO2)nc(OC)nc(Nc(cc3)ccc3OC(F)(F)F)n1,0.0
1560,CO-ADD:0312437,23.21,c1(SCC(=O)Nc2ccccc2)n(C)c3c(cccc3)n1,0.0
1561,CO-ADD:0311053,23.19,C(=O)(Oc(cc1)c(OC)cc1C(C)=O)N(CC2)CCO2,0.0
1562,CO-ADD:0310835,23.18,c1([N+](=O)[O-])nn(c(SC)n1)Cc2ccccc2,0.0
1563,CO-ADD:0307187,23.17,c12c(CC(C)(C)CC1=O)[nH]c(C)c2CC(Cl)(Cl)Cl,0.0
1564,CO-ADD:0305747,23.16,C(C(=O)OCc1ccccc1)(C2c3ccc(cc3)SC)=C(C)NC(CCCC4=O)=C24,0.0
1565,CO-ADD:0306700,23.16,C1(=C(CCCC1=O)OC(=C23)CCCC2=O)C3c4ccc(cc4)OCCC,0.0
1566,CO-ADD:0305477,23.15,[N+](=O)([O-])c(cc(NC(C1CCCCC1)=O)c(c23)C=Cc(cccc4)c4O2)c3,0.0
1567,CO-ADD:0306136,23.15,C1(C(=O)c2ccc(cc2)Cl)=C(O)C=C(OC1=O)c3ccc(cc3)Cl,0.0
1568,CO-ADD:0306112,23.15,C(=O)(c1cccc(F)c1)N(CC2)CCN2c3ccc(cc3F)C(CC)=O,0.0
1569,CO-ADD:0311947,23.14,n1(CC=C)c(COc(cc2)ccc2C(C)(C)c3ccccc3)nnc1S,0.0
1570,CO-ADD:0306041,23.14,N1(c2ccccc2)c(ncnc3N4CCCCC4)c3SC1=S,0.0
1571,CO-ADD:0307462,23.13,c1(C#N)c(C)c(Cl)c(nc1Cl)C,0.0
1572,CO-ADD:0312312,23.13,C(=O)(c(cccc1C(=O)NCc2cccc(cccc3)c23)c1)NCc4cccc(cccc5)c45,0.0
1573,CO-ADD:0311022,23.12,C(=C/c1cccc(F)c1)(/NC(=O)c2ccccc2Br)\C(=O)N3CCc(c4C3)cccc4,0.0
1574,CO-ADD:0307247,23.12,c1(C#N)c(C)cc(nc1OC)C,0.0
1575,CO-ADD:0312550,23.12,c1cc(C(=O)NC(c2sccc2)N3)c3cc1,0.0
1576,CO-ADD:0305611,23.12,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Nc(cc3)ccc3C)n1c4ccc(cc4)OC,0.0
1577,CO-ADD:0305591,23.11,C1(C#N)(C2)C(C#N)(CC([N+](=O)[O-])=C1N)C(=C2[N+](=O)[O-])N,0.0
1578,CO-ADD:0305540,23.11,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3c(cc4)cc(c4[N+](=O)[O-])NC(C)C56CC(CC7C5)CC(C7)C6,0.0
1579,CO-ADD:0312319,23.11,C(C(=O)c1cccs1)(C2c3ccc(cc3)C)=C(O)C(N2CCc4ccccc4)=O,0.0
1580,CO-ADD:0312625,23.11,c(cc1c2C(C(CC(=O)N(C\C=C\c3ccccc3)c4ccc(C(=O)OCC)cc4)C(=O)O)C5C(C1C(=O)O)C(=O)N(c6ccc(C(=O)OCC)cc6)C5)cc2,0.0
1581,CO-ADD:0306354,23.11,S(c1ccccc1)(=O)(=O)N(c2ccccc2)NC(=O)C(CCCCCC)(CCCCCC)O,0.0
1582,CO-ADD:0311998,23.1,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccccc1F)Nc2sc(c3c2C#N)CC(CC3)C,0.0
1583,CO-ADD:0306069,23.1,C(C(OC)=O)(=CN(CC(OC)=O)C=C1C(OC)=O)C1c2ccccc2Cl,0.0
1584,CO-ADD:0306322,23.09,c1(NC(COc2ccc(cc2F)F)=O)sc(c(C)c1C(OCC)=O)C,0.0
1585,CO-ADD:0312652,23.09,C1[C@@]2(O[C@H]3C1)[C@@]([C@]34[H])([H])[C@]([C@H](N([C@@H]25)C(=O)C(F)(F)F)C(C([C@H]5CC)=O)CC)(C(=C6C(OC)=O)C(OC)=O)O[C@@H]46,0.0
1586,CO-ADD:0312603,23.08,C1=C[C@@](C2)([C@]([C@@]3(O[C@H]4C(C(F)(F)F)=C3C(F)(F)F)CS2)([C@]45[H])[H])O[C@H]15,0.0
1587,CO-ADD:0311578,23.08,C1(C(OC)=O)(C(F)(F)F)N=C(c2cccc(Cl)c2)N(C3=N1)C=CC=C3C,0.0
1588,CO-ADD:0306754,23.08,C(C(OCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c(ccc(c3[N+](=O)[O-])Cl)c3,0.0
1589,CO-ADD:0305830,23.08,c1(NC(=O)c(cc2)cc(c2[N+](=O)[O-])C)sc(c3c1C(OC)=O)CCCC3,0.0
1590,CO-ADD:0311884,23.08,C(=O)(C(O)(c1ccc(cc1)C)c2ccc(cc2)C)NN(c3ccccc3)C(=O)c4cccnc4Cl,0.0
1591,CO-ADD:0311869,23.08,C12(C(=O)Nc(ccc(C)c3Br)c13)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)OCCCC)c24,0.0
1592,CO-ADD:0310793,23.08,S(=O)(=O)(N1CCC)N(CCC)C(C12)OC(C(O3)OC(C3N4CCC)N(S4(=O)=O)CCC)O2,0.0
1593,CO-ADD:0311136,23.07,c1(SCc2ccccc2)nc(c3n1CC(=O)Nc4ccccc4F)cccc3,0.0
1594,CO-ADD:0311212,23.07,N1(CC(O)COc2cc(cccc3)c3cc2C(=O)N4CCCCC4)C(=O)C(NC1=O)(C)C,0.0
1595,CO-ADD:0312425,23.07,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccc(cc3)Br)N(CC4)CCO4)[N+](=O)[O-],0.0
1596,CO-ADD:0311406,23.06,C(/C=C1C)(=N/c2ccccc2O)\c3c(N1)ccc(OC)c3.Cl,0.0
1597,CO-ADD:0311735,23.06,[N+](=O)([O-])c(cc1)ccc1c2nncn2C,0.0
1598,CO-ADD:0311714,23.06,S(=O)(=O)(c1ccc(cc1)Cl)Nc2nc(ccc(c3)C)c3nc2Nc(cc4)cc(c4N5CCCCC5)Cl,0.0
1599,CO-ADD:0310889,23.06,[N+](=O)([O-])c1ccc(c2c1cccn2)NCC(C)(C)CNc3sc(c(ccc4[N+](=O)[O-])n3)c4,0.0
1600,CO-ADD:0307249,23.06,c1(Cl)nc(C)cc(C)c1NC(=O)Nc2cccc(Cl)c2,0.0
1601,CO-ADD:0311262,23.05,c1(ccc(o1)\C=C(\NC(=O)c2cccc(Br)c2)/C(=O)Nc3ccccc3)[N+](=O)[O-],0.0
1602,CO-ADD:0305951,23.05,c([N+](=O)[O-])(nn(c1C(=O)Nc2sc(c3c2C(=O)OC(C)C)CCCC3)Cc4ccccc4)c1,0.0
1603,CO-ADD:0306343,23.05,N1(c2ccc(cc2)OC)C(=O)\C(=C\c3c(OC)cc(cc3OC)OC)\C(NC1=S)=O,0.0
1604,CO-ADD:0306911,23.05,c1(noc(COc(cc2)ccc2I)n1)c3nonc3N,0.0
1605,CO-ADD:0305526,23.05,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3C)CC(O3)C,0.0
1606,CO-ADD:0306709,23.05,c1(c2ccccc2)cc(c3ccc(cc3)OCCC)nc(ccc(cccc4)c45)c15,0.0
1607,CO-ADD:0305863,23.04,c1(NC(=O)c(cc2)cc(c2[N+](=O)[O-])C)sc(c3c1C(N)=O)CCCC3,0.0
1608,CO-ADD:0306746,23.04,C1(C)=CC(=O)Oc(ccc(c2)OC(OCC)=O)c12,0.0
1609,CO-ADD:0312475,23.03,[C@@H]12O[C@@]3(C=C1)[C@@H]([C@H]2C(=O)OCC)C(N(c4ccccc4)C3)=O,0.0
1610,CO-ADD:0311232,23.02,c1(O)c(C)cc(cc1C)CN2CCCCC2,0.0
1611,CO-ADD:0311612,23.02,C(=N/c(cc1)ccc1OC(F)(F)Cl)(/SC(C(=O)Nc2cccc(OCC)c2)CC3=O)\N3C,0.0
1612,CO-ADD:0311647,23.02,[N+](CC1)(CCC1C2=O)(C2)Cc3ccccc3[N+](=O)[O-],0.0
1613,CO-ADD:0311654,23.01,c1(Nc(cc2)ccc2OC)nc(NN)nc(OCC(F)(F)F)n1,0.0
1614,CO-ADD:0310911,23.0,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCN2C(=O)\C=C\c3ccc(cc3Cl)Cl,0.0
1615,CO-ADD:0312633,23.0,C(C(C1)C2C(=O)N1c3ccc(OC)cc3)c(c4C2C(=O)O)scc4,0.0
1616,CO-ADD:0306073,23.0,N1(c2ccccc2O)C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
1617,CO-ADD:0310891,22.99,c1(ccc(cc1N2CCCC2)N(CC3)CCN3C(=O)c4ccc(cc4)Br)[N+](=O)[O-],0.0
1618,CO-ADD:0312077,22.99,C1(NC(CSc2nnc(c3cccc(F)c3)n2c4ccccc4)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
1619,CO-ADD:0305903,22.99,[N+](=O)([O-])c1ccc(cc1)OCC(=O)Nc2cccc(C)n2,0.0
1620,CO-ADD:0306315,22.97,N1(\N=C\c(cc(Cl)cc2Cl)c2OC)C(=O)c(ccc(c3)[N+](=O)[O-])c3NC1c4cc(Cl)cc(Cl)c4OC,0.0
1621,CO-ADD:0312162,22.97,c12c(nnc(SCC(=O)N(CC3)CCO3)n1)c4c(cccc4)n2CCc5ccccc5,0.0
1622,CO-ADD:0241944,22.97,C(=O)(NCC(=O)N\N=C\c1ccc[nH]1)c2cccs2,0.0
1623,CO-ADD:0245334,22.97,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c(cccc4[N+](=O)[O-])c4,0.0
1624,CO-ADD:0241068,22.97,C(=C\c(ccc1c(cccc2[N+](=O)[O-])c2)o1)(/C(=O)OC(O3)(C)C)\C3=O,0.0
1625,CO-ADD:0244684,22.96,c1(C2=O)c(n(c(C)n1)c3ccccc3)C(c4c2non4)=O,0.0
1626,CO-ADD:0244807,22.96,[N+](=O)([O-])c(cc(cc1Sc(cc2)ccc2C)[N+](=O)[O-])c1C,0.0
1627,CO-ADD:0240505,22.96,C(C#N)(C1c2scc(Br)c2)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
1628,CO-ADD:0242256,22.96,C(=C/c(c1)c(O)c(cc1[N+](=O)[O-])Br)(/C2=O)\C(=O)c(c23)cccc3,0.0
1629,CO-ADD:0242090,22.96,c1(nonc1N)N(Cc2ccccc2Cl)N=Nc3nonc3N,0.0
1630,CO-ADD:0242281,22.96,S(=O)(=O)([O-])c1c(ccc(c1)S(=O)(=O)[O-])\C=C(/C2=O)\Sc(c23)cccc3.C(=O)O,0.0
1631,CO-ADD:0242450,22.95,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-],0.0
1632,CO-ADD:0242439,22.95,C(=O)(c1ccc(cc1)OCC)NC(CC(C)C)C(=O)[O-],0.0
1633,CO-ADD:0240307,22.95,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c3cc(Br)ccc3OC)\C1=O)=O,0.0
1634,CO-ADD:0240705,22.95,c12c(c(ccc1C(OC)=O)C(OC)=O)c(ccc2C(OC)=O)C(OC)=O,0.0
1635,CO-ADD:0240377,22.95,c(CC(=O)N\N=C\c1cccc(Cl)c1Cl)(c2c([nH]3)cccc2)c3,0.0
1636,CO-ADD:0240889,22.95,c1(Nc2c(OC)cc(c(OC)c2)Cl)[nH]nc(C)c1[N+](=O)[O-],0.0
1637,CO-ADD:0240932,22.94,c1(SCC(=O)Nc2ccccc2C(F)(F)F)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
1638,CO-ADD:0240694,22.93,[N+](=O)([O-])c1cccc(\C=N\c2cccc(cccc3)c23)c1O,0.0
1639,CO-ADD:0240435,22.92,N1(CC(CC1C(=O)Nc(cc2)ccc2C)O)C(=O)OC(C)(C)C,0.0
1640,CO-ADD:0240112,22.92,C(=O)(C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl)NN(c3ccccc3)C(=O)\C=C\c4ccco4,0.0
1641,CO-ADD:0242508,22.92,N(/NC(COc1ccccc1)=O)=C(\C(C)C)/c2ccccc2,0.0
1642,CO-ADD:0240970,22.92,C(C)(CN(CCCO[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.0
1643,CO-ADD:0240954,22.92,c1c(OC)c(OC)ccc1C(C)NC.Cl,0.0
1644,CO-ADD:0240570,22.92,C(C(N)c1ccc(cc1)OC(C)C)C(O)=O,0.0
1645,CO-ADD:0240610,22.91,c1([N+](=O)[O-])c(OC(OC)=O)c(Br)cc(OC(=O)S2)c12,0.0
1646,CO-ADD:0245848,22.91,c1(Cl)cc(Cl)ccc1\C=N\NC(CCC(=O)NC2CCCCC2)=O,0.0
1647,CO-ADD:0246168,22.91,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c3ccccc3F)\N2c4ccccc4,0.0
1648,CO-ADD:0241870,22.9,c12c(non1)nc(Nc3ccccc3Cl)c(N\N=C\c4cc(Cl)ccc4Cl)n2,0.0
1649,CO-ADD:0240794,22.9,c(NC(=O)c(cc1)ccc1[N+](=O)[O-])(sc(c2c3ccc(cc3)OC)c(cc4)ccc4[N+](=O)[O-])n2,0.0
1650,CO-ADD:0242598,22.89,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CCc3ccccc3)C(=O)\C=C\C(O)=O)C1=O,0.0
1651,CO-ADD:0240805,22.89,C(=O)(NCc1cccc(c1)CNC(=O)C(=O)NCC2CCCO2)C(=O)NCC3CCCO3,0.0
1652,CO-ADD:0240606,22.89,N1(CCCC1=O)c(cc2)ccc2C(=O)N\N=C\c3ccc(C)o3,0.0
1653,CO-ADD:0240267,22.89,N1(C(=O)c2ccc(cc2)Cl)N=CC(CCC3)C13O,0.0
1654,CO-ADD:0240656,22.89,n1(nnc(C(OCC)=O)c1CN(CC2)CCN2CCO)c3nonc3N,0.0
1655,CO-ADD:0240386,22.89,[nH]1c(cccc2)c2c(CCCC(=O)N\N=C\c(cc3)ccc3C)c1,0.0
1656,CO-ADD:0241661,22.88,N12C(S\C(=C/c3ccccc3F)\C1=O)=C(C(c4ccccc4F)C(C(OCC)=O)=C2N)C#N,0.0
1657,CO-ADD:0240317,22.88,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(C(C(C34)C(=C5c6ccccc6)C(C=C3)C(C4C7=O)C(N7c8ccc(c(Cl)c8)Cl)=O)C1=O)C5,0.0
1658,CO-ADD:0244495,22.88,c1(cccs1)\C=N\NC(CCCCCCC)=O,0.0
1659,CO-ADD:0240140,22.87,N(c1c(cccc1)NC2(C)c3ccc(cc3)I)=C(c4ccc(cc4)I)C2,0.0
1660,CO-ADD:0241621,22.86,n1c2c(oc1c3ccc(cc3)NC(CNC(C)(C)C)=O)ccc(c2)NC(CNC(C)(C)C)=O,0.0
1661,CO-ADD:0240202,22.86,c12c(non1)N\C(=N\N=C\c(cc3)ccc3C(C)(C)C)\C(Nc(cc4)ccc4I)=N2,0.0
1662,CO-ADD:0244293,22.86,c1(ccccc1Cl)C(=O)N\N=C\c2ccc(C)o2,0.0
1663,CO-ADD:0244833,22.86,C(C)N(C(=S)N1CC)C(C1N2)N=C3N2C(=O)\C(=C(\C4=O)/c(cc5)c(cc5)N4CCCC)\S3,0.0
1664,CO-ADD:0242715,22.85,c1(c2ccco2)c(C(OCC)=O)c(C)nc(C)c1C(OCC)=O,0.0
1665,CO-ADD:0244647,22.85,N1(c2c(cccc2)Sc(ccc(c3)C(F)(F)F)c13)C(=O)c4cc(Cl)cc(Cl)c4,0.0
1666,CO-ADD:0242502,22.85,[N+](=O)([O-])c1ccccc1C(=O)NNC(=O)c2cccc(C)c2,0.0
1667,CO-ADD:0241169,22.84,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2CC(O)COc(cc3)ccc3OCC(O)CN(CC4)CCN4c(cc5)ccc5[N+](=O)[O-],0.0
1668,CO-ADD:0244482,22.84,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(cc3Cl)Cl,0.0
1669,CO-ADD:0240910,22.84,C(/SC=C1c2ccccc2)(=N\c3ccc(cn3)Cl)\N1c4ccccc4,0.0
1670,CO-ADD:0245331,22.83,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
1671,CO-ADD:0244975,22.83,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c(cc(I)cc4I)c4O)n1,0.0
1672,CO-ADD:0245425,22.83,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4OC)cc(c4O)Br)\C1=O,0.0
1673,CO-ADD:0244954,22.83,[N+](=O)([O-])c1c(NCCOc(cc2)ccc2OC)ccc(c1)C(F)(F)F,0.0
1674,CO-ADD:0245407,22.83,n1(c2c(n3)cccc2)c3S\C(=C/c4ccccc4OCc5ccc(cc5Cl)Cl)\C1=O,0.0
1675,CO-ADD:0241240,22.82,n1c2c(oc1c3ccc(cc3)NC(=O)c4cccs4)cccc2,0.0
1676,CO-ADD:0242677,22.82,c1(c2ccc(cc2O)N)oc3c(cc(cc3C)C)n1,0.0
1677,CO-ADD:0241416,22.82,N(C(=O)\C(\S1)=C/c(cc2)ccc2CC)=C1N3CCCCC3,0.0
1678,CO-ADD:0245370,22.82,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)N1)=C\c3ccc(cc3Cl)Cl,0.0
1679,CO-ADD:0244441,22.82,n1c(c2ccccc2)csc1\C(\C#N)=C\c3ccccc3Cl,0.0
1680,CO-ADD:0242656,22.82,N1C(=O)\C(\SC1=S)=C\c2ccccc2OC(C)=O,0.0
1681,CO-ADD:0241856,22.82,c1(N(CC2)CCO2)nc(N\N=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3)nc(NCc5ccccc5)n1,0.0
1682,CO-ADD:0240800,22.82,N1(c2ccccc2)\C(\SCC1=O)=N\N=C(\C)/c3ccc(cc3)Cl,0.0
1683,CO-ADD:0240261,22.81,c1(C(O)=O)cc(ccc1C(O)=O)[Si](C)(C)c(ccc(c2C(O)=O)C(O)=O)c2,0.0
1684,CO-ADD:0242585,22.81,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)NCc2ccco2,0.0
1685,CO-ADD:0242277,22.81,C(=C/c(cc1)ccc1[N+](=O)[O-])(/C2=O)\Sc(c23)cccc3,0.0
1686,CO-ADD:0242275,22.81,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3C(F)(F)F)nc(Nc(ccc(c4Cl)C)c4)n1.Cl,0.0
1687,CO-ADD:0240405,22.8,n(c1C)(nnc1C(=O)N\N=C\c2cccc(OC)c2O)c3nonc3N,0.0
1688,CO-ADD:0244798,22.8,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)\N=C\c(cccc4[N+](=O)[O-])c4)n1,0.0
1689,CO-ADD:0240246,22.8,N(CCN(C(CCCCCCCCCCC)=O)c1ccccc1C)(C(CCCCCCCCCCC)=O)c2ccccc2C,0.0
1690,CO-ADD:0242676,22.79,n1c2c(oc1c(ccc(c3NC(=O)c(ccc(c4[N+](=O)[O-])C)c4)C)c3)ccc(C)c2,0.0
1691,CO-ADD:0240234,22.79,n(c(c1)c2ccc1C(=O)N(CC3)CCN3c4ccccc4)c(c5ccccc5)c(n2)c6ccccc6,0.0
1692,CO-ADD:0240249,22.78,c1([N+](=O)[O-])c([N+](=O)[O-])c(NC(N2)=O)c2c([N+](=O)[O-])c1[N+](=O)[O-],0.0
1693,CO-ADD:0240465,22.78,N1(c2cccc(OC)c2)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
1694,CO-ADD:0245391,22.78,c1(Nc(cc2)ccc2OC)nc(N\N=C/c3cccc(cccc4)c34)nc(NCc5ccco5)n1.Cl,0.0
1695,CO-ADD:0245524,22.77,[N+](=O)([O-])c1cc(C)ccc1NC(NC(C)=O)C(Cl)(Cl)Cl,0.0
1696,CO-ADD:0241433,22.77,c1(Nc(cc2)ccc2OC)nc(N\N=C\c3ccccc3C(F)(F)F)nc(NCc4ccco4)n1.Cl,0.0
1697,CO-ADD:0244581,22.76,[N+](=O)([O-])c1c(Br)ccc(c1)C(=O)Oc(cc2)ccc2C3CCCCC3,0.0
1698,CO-ADD:0244584,22.76,N1(c2ccccc2OC)C(=O)c3c(cc(cc3)Oc4ccccc4)C1=O,0.0
1699,CO-ADD:0246228,22.76,[N+](=O)([O-])c(cc1)ccc1\C(\O)=C\C(=O)c2ccccc2O,0.0
1700,CO-ADD:0245100,22.76,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)\N=C\c(cc4)ccc4Br)n1,0.0
1701,CO-ADD:0241491,22.76,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c(c(c3C(=O)c(cc4)ccc4C(O)=O)C1=O)cc(c3C(N5c(cc6)ccc6[N+](=O)[O-])=O)C5=O,0.0
1702,CO-ADD:0241439,22.75,c1(N(CC2)CCO2)nc(N\N=C\c(cc(Br)c(c3)O)c3O)nc(Nc4ccc(cc4Br)C)n1,0.0
1703,CO-ADD:0244925,22.75,C(N(CC)C1=O)C(C(=O)N2)(C(=O)NC2=S)CN1CC,0.0
1704,CO-ADD:0242098,22.74,N1(c2ccc(cc2)C)C(c(cccc3[N+](=O)[O-])c3)Nc(c4C1=O)cccc4,0.0
1705,CO-ADD:0242549,22.74,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c3cc(Br)ccc3OC)\C1=O)=O,0.0
1706,CO-ADD:0240381,22.73,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3cccc(OC)c3O)c4nonc4N,0.0
1707,CO-ADD:0240364,22.72,N1(C(=O)c2ccc(cc2)Cl)N=C(CC1(O)c(cccn3)c3)C(F)(F)F,0.0
1708,CO-ADD:0240247,22.72,C1(OCCO1)c(cc2)ccc2C3OCCO3,0.0
1709,CO-ADD:0241591,22.72,N1(c2ccc(cc2)OC)C(=O)c(c3C1=O)ccc(c3)C(=O)NC(=CNC(N4)=O)C4=O,0.0
1710,CO-ADD:0240747,22.72,c1(csc(\C(\C)=N/NC(=O)C(c2ccccc2)c3ccccc3)c1)[N+](=O)[O-],0.0
1711,CO-ADD:0242311,22.71,c1(\N=C\c(ccc2c(ccc(c3C(O)=O)Cl)c3)o2)c(c4ccc(c(OC)c4)O)nc(cccc5)n15,0.0
1712,CO-ADD:0244589,22.71,C(=O)(Nc(cc1)ccc1C)Nc(cc2)c(OC)cc2c(cc3)cc(c3NC(=O)Nc(cc4)ccc4C)OC,0.0
1713,CO-ADD:0240486,22.7,C1(=S)N(c(cc2)ccc2C(OCC)=O)C3(\C(=N\c4cccc(C)c4)\N1)CCCCC3,0.0
1714,CO-ADD:0240463,22.7,N1(CNc2ccc(cc2Cl)Cl)N=C(OC1=S)c3ccccc3,0.0
1715,CO-ADD:0244732,22.7,S(=O)(=O)(c(ccc(c12)C(=O)c3c(cccc3)C1=O)c2)N(CC4)CCN4c5ccccc5OC,0.0
1716,CO-ADD:0240133,22.7,S1(=O)(=O)c2c(C(Nc(c(OC)ccc3[N+](=O)[O-])c3)=N1)ccc(c2)[N+](=O)[O-],0.0
1717,CO-ADD:0242958,22.69,c1(c(\C=N\NC(=O)C(c2ccccc2)Nc(cc3)ccc3Br)cc4)c4c(C)cc(C)cc1C,0.0
1718,CO-ADD:0245512,22.69,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccccc4,0.0
1719,CO-ADD:0245541,22.69,n1(CC=C)c(SCC(=O)NC2CCCCC2)nnc1c3ccc(cc3)OC,0.0
1720,CO-ADD:0245588,22.69,C1(c(ccc(c2[N+](=O)[O-])Sc3nccn3C)c2)N(c4ccc(cc4)C)CCN1c5ccc(cc5)C,0.0
1721,CO-ADD:0245085,22.68,C(=O)(NCc1ccccc1)C(NCCc2ccccc2Cl)=O,0.0
1722,CO-ADD:0245400,22.68,c1(\N=C\c2ccc(cc2Cl)Cl)n3c(nc1c4ccc(cc4Cl)Cl)cccc3,0.0
1723,CO-ADD:0245645,22.68,S(=O)(=O)(NCC(c1ccccc1)=O)c(ccc(c23)C(=O)c(c4C2=O)cccc4)c3,0.0
1724,CO-ADD:0245953,22.66,N(C1c2ccc(cc2)OC)(C(=O)\C(\S3)=N/Nc(cc4)ccc4Br)C3=NC(C)=C1C(OCC)=O,0.0
1725,CO-ADD:0242505,22.66,[N+](=O)([O-])c1ccccc1C(=O)N\N=C(\C)/CCC=C,0.0
1726,CO-ADD:0242140,22.66,n1(c(C)c(nn1)\C(\C)=N\N=C\c(cccn2)c2)c3nonc3N,0.0
1727,CO-ADD:0242070,22.65,c(NC(=O)c(c1)cc(cc1[N+](=O)[O-])[N+](=O)[O-])(s2)c(C(OCC)=O)c(c2NC(=O)c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3)C(OCC)=O,0.0
1728,CO-ADD:0242252,22.65,C(=C/c(ccc1c2ccccc2[N+](=O)[O-])o1)(/C(=O)c3c4cccc3)\C4=O,0.0
1729,CO-ADD:0242574,22.65,c1(sc(c(c2ccc(cc2)Cl)n1)C)NC(c(cc3)ccn3)=O,0.0
1730,CO-ADD:0240985,22.65,C(=O)(N\N=C\c1c(cccc1Cl)F)C(=O)NC2CCCCC2,0.0
1731,CO-ADD:0241523,22.65,c12c(ccc(c1)NC(=O)c(cccc3C(=O)Nc(ccc(c45)c6c(cccc6)o4)c5)c3)c7c(cccc7)o2,0.0
1732,CO-ADD:0241069,22.64,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
1733,CO-ADD:0242034,22.64,S(=O)(=O)(c(cccc1C(=O)Nc(ccc(c23)OCCO2)c3)c1)N(CC4)CCO4,0.0
1734,CO-ADD:0242890,22.64,N1(c2ccc(cc2)OCC)C(c(cc3)ccc3N(C)C)Nc(c4C1=O)cccc4,0.0
1735,CO-ADD:0240313,22.64,c1(C(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)sc(nc1C)C,0.0
1736,CO-ADD:0240925,22.62,c1(\C(\CCC2)=N\NC(CCCc(cc3)ccc3OC)=O)c2cc(c(OC)c1)OC,0.0
1737,CO-ADD:0244445,22.61,C(#Cc(cc1)ccc1C(C)(C)C)C#Cc(cc2)ccc2C(C)(C)C,0.0
1738,CO-ADD:0241627,22.61,c1(NC(COC(=O)\C=C\c(cc2)ccc2[N+](=O)[O-])=O)sc(c3c1C#N)CCCC3,0.0
1739,CO-ADD:0244459,22.61,C(OC)(=O)C(CCl)N.Cl,0.0
1740,CO-ADD:0244492,22.61,C1(C)(C)C(C1\C=C(/Cl)\Cl)C(=O)NNC(=O)c(cccn2)c2,0.0
1741,CO-ADD:0240120,22.6,C(=O)(N\N=C\C=C\c1ccccc1)C(O)(c2ccccc2)c3ccccc3,0.0
1742,CO-ADD:0245646,22.6,C1(NS(=O)(=O)c(ccc(c23)C(=O)c4c(cccc4)C2=O)c3)=C(C)N(N(c5ccccc5)C1=O)C,0.0
1743,CO-ADD:0242921,22.6,C1(=O)c2c(c(cccc3)c13)cccc2,0.0
1744,CO-ADD:0241165,22.59,N1(CCSC1c2ccc(c(Br)c2)OC)C(=O)c(cc3)ccc3[N+](=O)[O-],0.0
1745,CO-ADD:0241880,22.59,C(=C\c(ccc(c1)N(CC)CC)c1O)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
1746,CO-ADD:0241074,22.59,N(c1ccccc1Br)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
1747,CO-ADD:0240535,22.59,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)\N=C\c4ccccc4O)n1,0.0
1748,CO-ADD:0234848,22.58,[N+](=O)([O-])c1ccc(cc1NCCN)N2CCCC2,0.0
1749,CO-ADD:0236214,22.58,C12(c3c(NC1=O)cccc3)C(C(OCC=C)=O)=C(C)OC(N)=C2C(OCC)=O,0.0
1750,CO-ADD:0236176,22.58,N1(c2ccc(cc2)OC)C(=O)C(CC3)C(C3(C)C1=O)(C)C,0.0
1751,CO-ADD:0231417,22.58,C1(=O)Nc(c2N1)ccc(c2)\N=C\c(cc(Br)cc3Br)c3O,0.0
1752,CO-ADD:0231421,22.58,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(ccc(c34)oc(c5ccc(c(Cl)c5)Cl)n3)c4)[N+](=O)[O-],0.0
1753,CO-ADD:0231789,22.57,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Br)cc3Br)c3O)c4cccc(Cl)c4Cl,0.0
1754,CO-ADD:0237301,22.57,OC(=O)c1cccc2oc(nc12)c3ccccc3NC(=O)c4ccccc4,0.0
1755,CO-ADD:0237302,22.56,Cc1ccc(cc1)S(=O)(=O)n2cc(c3ccnc(N)c3)c4cc(Br)cnc24,0.0
1756,CO-ADD:0237303,22.56,CCCCN(CCCC)c1c(cc(cc1C#N)S(=O)(=O)Nc2ccccc2)C#N,0.0
1757,CO-ADD:0237052,22.55,O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c4[nH]nc5CCCCc45,0.0
1758,CO-ADD:0237075,22.55,O=C(NC1CCCCC1)N2CCN(Cc3ccc4OCOc4c3)CC2,0.0
1759,CO-ADD:0237137,22.55,COC1=C(OCCCCOC2=CC=C(C3=NNN=N3)C=C2)C=C(C([C@@H]4[C@H]5CC=CC4)=NN(C6CCCCCC6)C5=O)C=C1,0.0
1760,CO-ADD:0237387,22.55,COc1ccc(c(O)c1)c2onc(c2c3ccc(Cl)cc3)C(F)(F)F,0.0
1761,CO-ADD:0237239,22.54,FC(F)(F)c1nc2ccccn2c1C(=O)NCc3cc(Cl)cc(Cl)c3,0.0
1763,CO-ADD:0237411,22.54,[O-][N+](=O)c1cn2C[C@@H](COc2n1)OCc3ccc(OC(F)(F)F)cc3,0.0
1764,CO-ADD:0237120,22.54,CN(C)CCNc1ncnc2c3cc(C)ccc3[nH]c12,0.0
1765,CO-ADD:0237201,22.53,CC(C)(C)n1nc(Cc2ccc(F)c(Cl)c2)c2c(N)ncnc12,0.0
1766,CO-ADD:0234677,22.53,c1(oc(c2n1)ccc(c2)\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])OC)c4c(O)cc(c5c4)cccc5,0.0
1767,CO-ADD:0236797,22.52,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c6ccc(cc6)C)C(OCC)=O,0.0
1768,CO-ADD:0233100,22.52,c1(SCCSc2[nH]c(c3n2)cccc3)[nH]c(c4n1)cccc4,0.0
1769,CO-ADD:0233092,22.52,C1(CC(CC2C1)CC3(C2)O)(C3)C(O)=O,0.0
1770,CO-ADD:0234516,22.51,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(ccc(c2OC(c3ccccc3)=O)OC(c4ccccc4)=O)c2)[N+](=O)[O-])[N+](=O)[O-],0.0
1771,CO-ADD:0236220,22.51,C12(c3c(NC1=O)cccc3)C(C(OC)=O)=C(C)OC(N)=C2C(=O)OC(C)C,0.0
1772,CO-ADD:0236759,22.51,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc2)ccc2C(OC)=O)c3ccc(cc3OC)OC,0.0
1773,CO-ADD:0227895,22.5,C(/CC1CC)(=C/c(cc2)ccc2Br)\C(=O)\C(\C1)=C\c(cc3)ccc3Br,0.0
1774,CO-ADD:0236771,22.5,C(=O)(Nc(cc1)ccc1OCC)CCN(CC2)CCN2CCO,0.0
1775,CO-ADD:0234263,22.5,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc(cc2)ccc2N(CC3)CCO3)c1,0.0
1776,CO-ADD:0234956,22.48,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3c(Br)cc(cc3Br)OC)=O,0.0
1777,CO-ADD:0234851,22.48,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2C(=O)\C=C\c(cc3)ccc3F)c4cccc(cccc5)c45,0.0
1778,CO-ADD:0230943,22.48,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc2)ccc2C)c3ccc(cc3OC)OC,0.0
1779,CO-ADD:0234827,22.47,c1(c(Br)cc(cc1\C=N\NC(CNc2cccc(C)c2)=O)Br)OC(=O)c3cccc(F)c3,0.0
1780,CO-ADD:0229711,22.46,c1(NCC(=O)N\N=C\c2ccccc2Cl)c(Br)cc(cc1Br)Cl,0.0
1781,CO-ADD:0233408,22.46,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
1782,CO-ADD:0233109,22.46,S(O)(=O)(=O)c(cc(N)c(c1C(O)=O)O)c1,0.0
1783,CO-ADD:0232883,22.46,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(Br)c2)c3ccc(cc3OC)OC,0.0
1784,CO-ADD:0227597,22.46,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C/c4cc(Br)cc(OC)c4O,0.0
1785,CO-ADD:0236734,22.45,n1(nc[nH]2)c2nnc1SCC(=O)Nc3ccccn3,0.0
1786,CO-ADD:0232878,22.45,n(c1c(CCCC1)cc2C#N)c2SCC(=O)Nc(cc3)ccc3OC,0.0
1787,CO-ADD:0231426,22.45,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(ccc4c(ccc(c5Cl)F)c5)o4,0.0
1788,CO-ADD:0227188,22.44,c1(cc(Br)cc(\C=N\c(ccc(c23)oc(c4cccc(I)c4)n2)c3)c1O)[N+](=O)[O-],0.0
1789,CO-ADD:0233702,22.44,c(C(CC1)CCN1C(CCCN)=O)(o2)c(C)cn2.Cl,0.0
1790,CO-ADD:0229807,22.43,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)S\C(\N)=N\c(ccc(c3C)C)c3,0.0
1791,CO-ADD:0234948,22.43,c1(OCC(=O)N\N=C\c(cc(Cl)cc2Br)c2O)c(Br)cc(cc1Br)OC,0.0
1792,CO-ADD:0228999,22.43,[N+](=O)([O-])c1ccc(cc1)COC(=O)c2cccc(N)c2,0.0
1793,CO-ADD:0229010,22.43,S(=O)(=O)(c1ccc(cc1)C)Nc2ccccn2,0.0
1794,CO-ADD:0227665,22.42,N1(c2ccccc2)C(=O)CC(N(CC3)CCN3c4ccccc4OC)C1=O,0.0
1795,CO-ADD:0231047,22.42,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1Br)C)=O)Nc2ccc(cc2OC)OC,0.0
1796,CO-ADD:0234630,22.42,c1(oc(c2n1)ccc(c2)\N=C\c3ccc(cc3Cl)Cl)c4c(O)cc(c5c4)cccc5,0.0
1797,CO-ADD:0236115,22.42,C(/C1)(=C\c(cc2)ccc2OCCCC)\C(=O)\C(\CCC1)=C/c(cc3)ccc3OCCCC,0.0
1798,CO-ADD:0236513,22.41,c12c(c3c(cccc3)o1)N=C(C)NC2=S,0.0
1799,CO-ADD:0234288,22.41,N(=C(/CC)\c(cc1)ccc1c2ccccc2)/NC(=O)Cc3cccc(cccc4)c34,0.0
1800,CO-ADD:0231660,22.41,c1(c2ccc(cc2)\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)sc(c4n1)cccc4,0.0
1801,CO-ADD:0233273,22.41,C(=O)(OCC(=O)c1ccc(cc1)Br)c(cccc2C(=O)OCC(=O)c3ccc(cc3)Br)c2,0.0
1802,CO-ADD:0229758,22.41,N1(C(=O)c(c2C1=O)ccc(c2)c(ccc(c3C4=O)C(N4C5=CNC(NC5=O)=O)=O)c3)C6=CNC(NC6=O)=O,0.0
1803,CO-ADD:0236003,22.4,c1(SCC(=O)Nc2ccccc2C#N)sc(c3n1)cccc3,0.0
1804,CO-ADD:0233519,22.4,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c3cccc(Br)c3,0.0
1805,CO-ADD:0227674,22.4,c1(cc(ccc1Cl)SC)C(=O)O\N=C(\CC2)/c(ccc(c3)OC)c3O2,0.0
1806,CO-ADD:0229005,22.4,[N+](=O)([O-])c1ccc(cc1)COC(=O)c2ccc(cc2)C,0.0
1807,CO-ADD:0234919,22.4,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(cc2)ccc2Cl)[N+](=O)[O-])[N+](=O)[O-],0.0
1808,CO-ADD:0234738,22.39,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2c(C)cccc2C)=O)c3ccccc3Cl,0.0
1809,CO-ADD:0231777,22.39,c1(oc(c2n1)ccc(c2)\N=C\c3cc(Cl)ccc3O)c4cccc(Cl)c4Cl,0.0
1810,CO-ADD:0234131,22.38,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2c(cc3)c(Cl)cc3[N+](=O)[O-])Cl,0.0
1811,CO-ADD:0227202,22.38,c1(ccccc1NC(=O)c(cc2)ccc2C(=O)Nc3ccccc3C(N)=O)C(N)=O,0.0
1812,CO-ADD:0231620,22.38,[N+](=O)([O-])c1cc2c(cc1\C=N\c(cc3)ccc3Cc(cc4)ccc4\N=C\c5cc(OCO6)c6cc5[N+](=O)[O-])OCO2,0.0
1813,CO-ADD:0234543,22.37,c1(cnn(cc[nH]2)c12)[N+](=O)[O-],0.0
1814,CO-ADD:0236212,22.37,N12C(S\C(=C/c3cc(Br)ccc3F)\C1=O)=C(C(c4cc(Br)ccc4F)C(C(OC)=O)=C2N)C#N,0.0
1815,CO-ADD:0231037,22.36,S(=O)(=O)(c1ccc(cc1)Cl)NC(C(C)C)C(OC)=O,0.0
1816,CO-ADD:0234530,22.36,c1(CCN2C)c2nc(cccc3)c3c1NC(CCl)=O,0.0
1817,CO-ADD:0236084,22.36,N1(C(C)C)C(=O)C(C2C1=O)C3\C(\C2C=C3)=C(\C)/C,0.0
1818,CO-ADD:0236345,22.36,c1(C#N)c(SCC(N)=O)nsc1SCc(cc2)ccc2Cl,0.0
1819,CO-ADD:0229767,22.36,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc(cccc2c3csc(C)n3)c2,0.0
1820,CO-ADD:0233157,22.36,c12c(ccc(OC)c1OC)C(OC2=O)Nc(cc3)ccc3OC,0.0
1821,CO-ADD:0236421,22.35,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5cccc(c5)[N+](=O)[O-])C(OCC)=O,0.0
1822,CO-ADD:0233484,22.35,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2ccc(cc2)Br)N(CC(C)C)CC(C)C)c1,0.0
1823,CO-ADD:0229388,22.35,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\C=C\c(cc4)ccc4Br,0.0
1824,CO-ADD:0236221,22.34,C12(c3c(NC1=O)cccc3)C(C(=O)OC(C)(C)C)=C(C)OC(N)=C2C(=O)OC(C)C,0.0
1825,CO-ADD:0231515,22.34,N(\C(=C\c(cc1)ccc1OC)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
1826,CO-ADD:0231380,22.34,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3Cl)c4ccc(cc4Cl)Cl,0.0
1827,CO-ADD:0231163,22.34,C(=O)(c1ccc(cc1)Br)Nc(cc2)ccc2CCCC,0.0
1828,CO-ADD:0233042,22.34,c1(nonc1N)\C(=N\OCc2c(C)ccc(cccc3)c23)\Nc(cc4)ccc4C,0.0
1829,CO-ADD:0231491,22.34,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccc(cc2Cl)Cl)=O)c3ccccc3Br,0.0
1830,CO-ADD:0231105,22.33,C(=O)(C\C(\C)=N\NC(COc1ccccc1C)=O)Nc2ccccc2CC,0.0
1831,CO-ADD:0236640,22.33,c1(C#N)c(SCC(OCC)=O)nsc1SCC(OCC)=O,0.0
1832,CO-ADD:0230917,22.33,S(c1ccccc1)(=O)(=O)N(CC(NCCSc(cc2)ccc2Cl)=O)c3ccc(cc3OC)OC,0.0
1833,CO-ADD:0231553,22.33,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2cccc(C)c2)=O)c3cccc(Br)c3,0.0
1834,CO-ADD:0231545,22.33,C1(=O)N(C)c(c2N1C)ccc(c2)\N=C\c3c(O)ccc(cccc4)c34,0.0
1835,CO-ADD:0235998,22.33,c([N+](=O)[O-])(n1)ncn1[C@H]2C(=O)C=C(C[C@@H]2c3cccs3)c4cccs4,0.0
1836,CO-ADD:0233516,22.32,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)c(c2)cc(cn2)Br)c3ccccc3Cl,0.0
1837,CO-ADD:0234374,22.31,n1(c2cc(C)ccc2OC(=O)c(cc3)ccc3[N+](=O)[O-])nc4c(cccc4)n1,0.0
1838,CO-ADD:0233722,22.31,c1([nH]nc(C(CC2)CCN2C([C@H](CCCC)N)=O)c1)C(F)(F)F.Cl,0.0
1839,CO-ADD:0233482,22.31,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(cc3)ccc3Cl,0.0
1840,CO-ADD:0236305,22.3,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
1841,CO-ADD:0236196,22.3,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CCCC4=O)=C14)c5ccc(cc5)Br,0.0
1842,CO-ADD:0234294,22.3,c1(c(O)c(\C=N\c(cc2)cc(c2c3sc(c4n3)cccc4)O)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
1843,CO-ADD:0232856,22.3,N(=C1C)C(=N)C(=CN1CC(c2ccccc2)=O)COCC.Br,0.0
1844,CO-ADD:0233116,22.3,N1(CCCC(=O)N2CCc(cccc3)c23)C(=O)c4c(cccc4)C1=O,0.0
1845,CO-ADD:0227208,22.29,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(ccc(c4Br)OC)c4,0.0
1846,CO-ADD:0233399,22.29,C(=O)(Nc1c(Cl)cc(cc1Cl)Cl)c2ccc(cc2Cl)Cl,0.0
1847,CO-ADD:0233474,22.28,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2ccc(cc2Br)Cl)=O)c3ccco3,0.0
1848,CO-ADD:0234521,22.28,C(=N\NC(COc1c(OC)cc(cc1[N+](=O)[O-])[N+](=O)[O-])=O)(/c2c(N3)ccc(C)c2)\C3=O,0.0
1849,CO-ADD:0234652,22.28,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)Br)OC(=O)c3cccc(C)c3,0.0
1850,CO-ADD:0229810,22.28,n1(c2cc(C)ccc2OS(=O)(=O)c3c(C)ccc(c3)C(=O)Nc(cc4)ccc4[N+](=O)[O-])nc5c(cccc5)n1,0.0
1851,CO-ADD:0234963,22.28,[N+](=O)([O-])c1cccc(c1)\C=N\NC(COc2ccc(cc2C)C)=O,0.0
1852,CO-ADD:0231444,22.28,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3Cl)\N=C/c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
1853,CO-ADD:0233072,22.27,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(C)N(C(C)=C1C(OCC)=O)c3ccc(cc3)OC,0.0
1854,CO-ADD:0234514,22.27,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(cc2)ccc2OCC=C)[N+](=O)[O-])[N+](=O)[O-],0.0
1855,CO-ADD:0236589,22.27,C12(c3c(NC1=O)ccc(c3)[N+](=O)[O-])C(C(C)=O)=C(C)OC(N)=C2C#N,0.0
1856,CO-ADD:0233396,22.27,c12c(ccc(c1)\C=N\Cc3ccccc3)OCO2,0.0
1857,CO-ADD:0236366,22.27,n1(c2ccccc2)c(SCC(=O)NCc3ccccc3)nnc1c4ccc(c(OC)c4)OC,0.0
1858,CO-ADD:0234808,22.27,C(c1ccccc1)(=O)NC(CCSC)C(=O)OCC(=O)Nc2cccc(cccc3)c23,0.0
1859,CO-ADD:0234496,22.26,C(=O)(c1ccccc1C(O)=O)Nc2ccccc2C#Cc(cc3)ccc3Br,0.0
1860,CO-ADD:0234621,22.26,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(CNC(=O)c3cccc(F)c3)=O,0.0
1861,CO-ADD:0233545,22.26,c(c1)(cc(cn1)Br)C(=O)N\N=C\c2cc(Br)ccc2OC(c3ccccc3)=O,0.0
1862,CO-ADD:0234998,22.26,C1(\N=C\c(cc(Cl)cc2I)c2O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
1863,CO-ADD:0233548,22.26,c(\C=N\c1cccc(C)c1)(c(C)c2Cl)c(O)c(c2C)Br,0.0
1864,CO-ADD:0233058,22.25,c(non1)(c2N)c1nc(C)c2C(OCC)=O,0.0
1865,CO-ADD:0236166,22.25,c12c(non1)nc(Cl)c(Nc(ccc(c3Cl)Cl)c3)n2,0.0
1866,CO-ADD:0233038,22.25,C(C(c1ccccc1)=O)(C2c(cc3)ccc3N(C)C)=C(O)C(N2c4ccccc4)=O,0.0
1867,CO-ADD:0232835,22.25,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc3c(C)cccc3Cl,0.0
1868,CO-ADD:0237032,22.24,O[C@H]1[C@@H](O)[C@H](N2C=CC(N)=NC2=O)O[C@@H]1CN3C=C(CCCNC([C@@H](O)C(C)(C)CO)=O)N=N3,0.0
1869,CO-ADD:0236275,22.24,c1(NC(=O)c(cccc2[N+](=O)[O-])c2C)sc(c3c1C#N)CCCC3,0.0
1870,CO-ADD:0236268,22.24,S(=O)(=O)(c1ccc(cc1)F)Nc(c(OC)cc(c23)c4c(cccc4)o2)c3,0.0
1871,CO-ADD:0234299,22.24,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)c(c2)cc(cn2)Br)c3ccccc3I,0.0
1872,CO-ADD:0233566,22.24,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc(c34)cccc3)c4,0.0
1873,CO-ADD:0236385,22.24,c1([nH]2)c(c(cc(C)n1)C)c(n2)N,0.0
1874,CO-ADD:0234321,22.23,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3ccco3)=O,0.0
1875,CO-ADD:0234646,22.23,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3[N+](=O)[O-])Cl)c3)c4c(O)cc(c5c4)cccc5,0.0
1876,CO-ADD:0231087,22.22,C(=O)(C\C(\C)=N\NC(COc1ccccc1C)=O)Nc2cccc(Cl)c2C,0.0
1877,CO-ADD:0234527,22.22,S(N)(=O)(=O)c(c(C)cc(c1S(N)(=O)=O)C)c1,0.0
1878,CO-ADD:0230986,22.21,c1(SCC(=O)Nc(cc2)ccc2C)nc(C)cc(C)n1,0.0
1879,CO-ADD:0227927,22.21,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c(cc(Cl)cc4I)c4O,0.0
1880,CO-ADD:0233551,22.21,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Cl)cc3[N+](=O)[O-])c3O)c4ccc(cc4Cl)F,0.0
1881,CO-ADD:0233034,22.21,N1(C(c2ccccc2)CC(c3ccccc3)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N(CC6)CCO6)n4.Br,0.0
1882,CO-ADD:0231142,22.21,C(Oc(cc1)ccc1C(=O)Nc2cccc(Br)c2)(=S)Nc(cc3)ccc3C(C)=O,0.0
1883,CO-ADD:0233005,22.21,C(=S)(Oc(cc1)ccc1C(=O)Nc2cccc(Br)c2)N(C)c3ccc(cc3)OC,0.0
1884,CO-ADD:0231399,22.21,c1(cc(Br)cc(\C=N\c(ccc(c23)oc(c4ccc(c(Cl)c4)Cl)n2)c3)c1O)[N+](=O)[O-],0.0
1885,CO-ADD:0234278,22.2,c1(c(O)c(\C=N\c(ccc(c2Cl)Cl)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
1886,CO-ADD:0237014,22.2,OCC(C)(C)[C@@H](O)C(NCCC(NNCCCCCC)=O)=O,0.0
1887,CO-ADD:0228994,22.2,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)ccc2C(C)=O,0.0
1888,CO-ADD:0229029,22.2,c1(cc(OC)ccc1NC(CSc2ccccn2)=O)[N+](=O)[O-],0.0
1889,CO-ADD:0233710,22.19,C(=O)([C@@H](C(C)C)N)N(CC1)CCC1c(o2)c(C)cn2.Cl,0.0
1890,CO-ADD:0233560,22.19,C1(COc(c2O1)cccc2)C(=O)N\N=C(/CC)\c(cc3)ccc3c4ccccc4,0.0
1891,CO-ADD:0235986,22.19,C(F)(F)(COc1ccc(cc1NC(=O)c2ccc(cc2)Br)Cl)C(F)F,0.0
1892,CO-ADD:0229024,22.18,C1(c(cc2)ccc2[N+](=O)[O-])=Nc(c3C(=O)O1)cccc3,0.0
1893,CO-ADD:0229062,22.17,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c2ccccc2)c3ccccc3Br,0.0
1894,CO-ADD:0234428,22.17,C1(\N=C(/c2c3cccc2)\c4c3cccc4)=C(C)N(N(c5ccccc5)C1=O)C,0.0
1895,CO-ADD:0234981,22.17,c1(O)c(OCC)cc(cc1Br)\C=N\NC(COc(cc2)ccc2Cl)=O,0.0
1896,CO-ADD:0233451,22.17,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
1897,CO-ADD:0236861,22.16,N1(c2ccc(cc2)OC)C(c3ccc(cc3)C)Nc(c4C1=O)cccc4,0.0
1898,CO-ADD:0234762,22.16,c1(c2c(sc1NC(c3ccccc3)=O)CCCC2)C(=O)NC4CCCCC4,0.0
1899,CO-ADD:0230911,22.15,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1[N+](=O)[O-],0.0
1900,CO-ADD:0233231,22.15,[N+](=O)([O-])c1c(C)ccc(c2c(cccn2)O)c1,0.0
1901,CO-ADD:0233211,22.15,n1(N)nnnc1N,0.0
1902,CO-ADD:0231077,22.15,S(=O)(=O)(c1ccc(cc1)I)NC(Cc2ccccc2)C(NCCOC)=O,0.0
1903,CO-ADD:0231165,22.14,C(=S)(c1ccc(cc1)Cl)N(CC2)CCO2,0.0
1904,CO-ADD:0231806,22.14,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C/c(cc4)ccc4C(OC)=O,0.0
1905,CO-ADD:0227943,22.14,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c4cc(C)ccc4O,0.0
1906,CO-ADD:0236576,22.14,c1(C#N)c(SCc2ccccc2Cl)nc(cc1C(F)(F)F)c3cccs3,0.0
1907,CO-ADD:0231603,22.13,n1c2c([nH]c1c3ccc(cc3)F)ccc(c2)\N=C\c(cccc4[N+](=O)[O-])c4,0.0
1908,CO-ADD:0233330,22.13,C(c1ccc(cc1)OC)(CC(O)=O)CC(O)=O,0.0
1909,CO-ADD:0233323,22.13,C(C)(N)(c1ccc(cc1)OCCC)C(O)=O.Cl,0.0
1910,CO-ADD:0236509,22.13,c12c(cccc1\N=C\c3cc(Br)ccc3O)C(=O)NNC2=O,0.0
1911,CO-ADD:0234392,22.12,c1(cc(nn1c2ccccc2)C(=O)N\N=C\c3ccccc3)c4c5c([nH]c4)cccc5,0.0
1912,CO-ADD:0236435,22.12,n1c(N)c(C#N)cc(C#N)c1SCC(=O)Nc2ccccc2Br,0.0
1913,CO-ADD:0236532,22.12,C1(C(=O)OCC(C)C)=C(C)NC(NC1c(ccc(c23)OCO2)c3)=O,0.0
1914,CO-ADD:0236334,22.11,c1(NC(CSc2snc(SCC(=O)Nc3sc(c4n3)cccc4)c2C#N)=O)sc(c5n1)cccc5.[Na+],0.0
1915,CO-ADD:0233352,22.11,c1(c(N)c(C#N)c(c23)CC(OC2)(C)C)c3C(OC1=O)=O,0.0
1916,CO-ADD:0231470,22.11,c1(c2cccc(c2)\N=C\c(ccc(c3Cl)Cl)c3)oc(c4n1)cccc4,0.0
1917,CO-ADD:0236500,22.1,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)Nc3ccccc3Cl,0.0
1918,CO-ADD:0234581,22.1,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)Cc2cccc(cccc3)c23)c4ccccc4Br,0.0
1919,CO-ADD:0231452,22.09,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(c(O)ccc4C(O)=O)c4,0.0
1920,CO-ADD:0236503,22.09,c1(NC(=O)C2=Cc3c(OC2=O)ccc(OC)c3)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
1921,CO-ADD:0231351,22.09,N1(c2ccc(cc2)N=Nc3ccccc3)C(=O)c4c(cc(cc4)Oc(cccc5[N+](=O)[O-])c5)C1=O,0.0
1922,CO-ADD:0233006,22.09,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)NCc3ccccc3,0.0
1923,CO-ADD:0233048,22.08,C(=O)(N(CC1)CCN1CCNC(=O)C(=O)Nc(cc2)ccc2CC)c3ccccc3Br,0.0
1924,CO-ADD:0231829,22.08,n1c2c(oc1c3ccc(cc3)\N=C\c(cc4)ccc4C(OC)=O)cc(C)c(C)c2,0.0
1925,CO-ADD:0233457,22.07,c(cc(Br)cc1Cl)(\C=N\c2ccccc2)c1O,0.0
1926,CO-ADD:0236290,22.07,S(=O)(=O)(c1ccc(cc1)C)N(CC(=O)N\N=C\c2cc(Br)ccc2OC)c3ccc(cc3Cl)Cl,0.0
1927,CO-ADD:0233650,22.06,n(Cc1ccccc1)(c2c(c3\C=N\NC(=O)Cc4cccc(cccc5)c45)cccc2)c3,0.0
1928,CO-ADD:0233620,22.06,C(=N\NC(=S)Nc1ccccc1)(/c2c(N3)cccc2)\C3=O,0.0
1929,CO-ADD:0233174,22.05,N1(CCSC(=S)N2CCCCCC2)C(=O)CCC1=O,0.0
1930,CO-ADD:0229519,22.05,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\Nc3ccc(cc3[N+](=O)[O-])Cl,0.0
1931,CO-ADD:0231030,22.05,S(=O)(=O)(c1ccc(cc1)C)N2CCCC2C(=O)N\N=C\c(cc3)ccc3Cl,0.0
1932,CO-ADD:0231022,22.05,C(=O)(Nc(cc1)ccc1N(C)C)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
1933,CO-ADD:0231098,22.05,C(C(=O)c1ccc(cc1)C)C(Nc(cc2)ccc2Br)c3ccc(c(OC)c3)OC,0.0
1934,CO-ADD:0229473,22.05,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3O,0.0
1935,CO-ADD:0231057,22.04,S(=O)(=O)(c1ccc(cc1)C)N2CCCC2C(=O)N\N=C\c(cc3)ccc3OCCC,0.0
1936,CO-ADD:0230966,22.04,c12c(C(SS1)=O)n(c(C(SS3)=O)c23)CC,0.0
1937,CO-ADD:0231521,22.03,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(COc3ccccc3C)=O,0.0
1938,CO-ADD:0237182,22.03,Brc1ccc2NC(=O)C3(NCCc4c3[nH]c5ccccc45)c2c1,0.0
1939,CO-ADD:0236170,22.03,[N+](=O)([O-])c1ccc(cc1)\C=N/NC(NCc(cc2)ccc2OCCCC)=S,0.0
1940,CO-ADD:0234291,22.02,c1(c(O)c(\C=N\c2c(C)cccc2O)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
1941,CO-ADD:0234250,22.02,c1(c(O)c(\C=N\c2cccc(C)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
1942,CO-ADD:0229702,22.01,C(c(cc1)ccc1\C=N\c2ccc(cc2C)Cc(cc3)cc(c3\N=C\c(cc4)ccc4C#Cc5ccccc5)C)#Cc6ccccc6,0.0
1943,CO-ADD:0232895,22.01,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccc(cc2Cl)Cl)c3ccc(cc3Cl)Cl,0.0
1944,CO-ADD:0237290,22.0,CC(C)CN1CCC(CC1)N(C)c2cc(NC(=O)c3cccc(C)c3)ccn2,0.0
1945,CO-ADD:0231443,22.0,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3Cl)\N=C/c(cc(Br)c(c4Br)O)c4O,0.0
1946,CO-ADD:0232902,21.99,S(c1ccccc1)(=O)(=O)N(CC(=O)NC(C)c2ccccc2)c3ccc(cc3Cl)Cl,0.0
1947,CO-ADD:0234836,21.98,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2c(C)cccc2C)=O)c3ccccc3I,0.0
1948,CO-ADD:0237117,21.97,COC(=O)c1c2CCN(Cc3ccccc3)Cc2sc1NC(=O)C4=Cc5ccccc5OC4=O,0.0
1949,CO-ADD:0237247,21.96,COc1cc(NC(=O)CC2=NN(C)C(=O)c3ccccc23)ccc1Cl,0.0
1950,CO-ADD:0237169,21.95,ClC1=CC(N=C(N)O2)=C2C=C1,0.0
1951,CO-ADD:0237312,21.95,NS(=O)(=O)c1cccc(c1)c2ccc3ncc(nc3c2)N4CCOCC4,0.0
1952,CO-ADD:0237323,21.95,FC(F)(F)c1ccc(CN2C(=O)COCc3ccc(Br)cc23)cc1,0.0
1953,CO-ADD:0237099,21.95,CNC(=O)C1Cc2ccccc2N1C(=O)Cc3ccc(F)cc3,0.0
1954,CO-ADD:0237100,21.94,O=C(NCCc1csc(n1)c2ccccc2)c3ccccc3,0.0
1955,CO-ADD:0237105,21.94,Nc1c2CCCCc2nc3sc4CCCCc4c13,0.0
1956,CO-ADD:0237193,21.93,CN(C)c1cc(NC(=O)Nc2ccccc2)c3ccccc3n1,0.0
1957,CO-ADD:0233066,21.93,C1(c2ccccc2)(c3ccccc3)OC(CC(C)OC(C)=O)Nc(cccc4)c14,0.0
1958,CO-ADD:0231473,21.92,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c4cccc(Br)c4,0.0
1959,CO-ADD:0229761,21.92,c1(NC(=O)c2ccc(cc2Cl)Cl)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
1960,CO-ADD:0232953,21.92,C1(c2ccc(cc2)CC)N(c3ccc(cc3)C)CCN1c4ccc(cc4)C,0.0
1961,CO-ADD:0236751,21.92,S(c1ccccc1)(=O)(=O)N(CC(NCC=C)=O)c2c(OC)ccc(OC)c2,0.0
1962,CO-ADD:0233102,21.91,c1(OC)cc(ccc1N)Cc(ccc(c2OC)N)c2,0.0
1963,CO-ADD:0219355,21.9,C(=O)(c1ccc(cc1)F)Nc(cccc2C(=O)N\N=C\c3ccccc3)c2,0.0
1964,CO-ADD:0220985,21.9,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(cc3)ccc3N(C)C,0.0
1965,CO-ADD:0218980,21.9,C(NCCOc1ccccc1F)(=O)Nc(cc2)ccc2OCCCCCCCCCC,0.0
1966,CO-ADD:0219419,21.89,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)c3ccc(cc3)Br,0.0
1967,CO-ADD:0220208,21.89,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N/c(cc3)ccc3c4ccc(cc4)\N=C/c(cccc5Oc6ccc(cc6[N+](=O)[O-])[N+](=O)[O-])c5)[N+](=O)[O-],0.0
1968,CO-ADD:0219986,21.89,N1(CNc(cc2)ccc2C)C(=O)CCC1=O,0.0
1969,CO-ADD:0222621,21.88,C1(CC(CC1C2CCC(CC2)O)C3(C)C)C3C,0.0
1970,CO-ADD:0222817,21.88,c1(cccc(CCCC2)c12)NC(COc(cc3)ccc3Br)=O,0.0
1971,CO-ADD:0221852,21.88,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC)C2c3ccccc3Cl,0.0
1972,CO-ADD:0226550,21.88,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)SCC(=O)c4cc(C)ccc4C,0.0
1973,CO-ADD:0226814,21.88,C1(=N2)N(C=Cn(nc(c3ccc(cc3)C)c4)c14)C(N2CC(=O)Nc(cc5)ccc5C(OCC)=O)=O,0.0
1974,CO-ADD:0225958,21.88,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(Cc4cc(C)ccc4C)C2=O,0.0
1975,CO-ADD:0226033,21.88,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)N(CC4)CCN4c5ccccc5F)=O,0.0
1976,CO-ADD:0218352,21.86,C(=O)(N\N=C\c1ccco1)c2cccc(C)c2,0.0
1977,CO-ADD:0226583,21.86,c12n(C=CN(c3ccc(c(C)c3)C)C1=O)c(nn2)SCC(=O)Nc4cc(OC)cc(OC)c4,0.0
1978,CO-ADD:0226807,21.85,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cccc4C(C)=O)c4)c(nn1)C(C)C,0.0
1979,CO-ADD:0218094,21.85,C1(C(=O)Nc(cc2)ccc2F)C(C13)CC\C=C/CC3,0.0
1980,CO-ADD:0218102,21.85,c(c(O)ccc1C(C)(C)c2ccccc2)(CN(CC3)CCO3)c1,0.0
1981,CO-ADD:0218118,21.85,c1(c(Cl)c2c(cccc2)s1)C(=O)N3CCCc(cccc4)c34,0.0
1982,CO-ADD:0218155,21.85,[N+](=O)([O-])c(cc1)ccc1C(=O)NCc(ccc(c23)OCO2)c3,0.0
1983,CO-ADD:0218721,21.85,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(Cc(cc2)ccc2O)C(=O)N\N=C\c(cc3)ccc3OCCC)c1,0.0
1984,CO-ADD:0226026,21.85,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc4ccc(cc4F)Br)=O,0.0
1985,CO-ADD:0226823,21.85,c12n(cnn1)c3c(cccc3)nc2SCC(=O)Nc4ccc(cc4C)C,0.0
1986,CO-ADD:0218727,21.84,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c2cccc(OC)c2O,0.0
1987,CO-ADD:0218299,21.83,N(=C(/CC)\c1ccccc1)/NC(Cc2ccccc2)=O,0.0
1988,CO-ADD:0218084,21.83,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
1989,CO-ADD:0218107,21.82,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)Oc(cc2)ccc2\C=N\C3CCCCC3,0.0
1990,CO-ADD:0225975,21.82,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4onc(c5ccc(cc5)OC(F)(F)F)n4)C2=O,0.0
1991,CO-ADD:0226792,21.82,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cc4)ccc4Br)c(nn1)C(C)C,0.0
1992,CO-ADD:0218063,21.81,N1(c2ccccc2[N+](=O)[O-])C(=O)C(C(C1=O)C34\C=N\c5ccccc5C(O)=O)C(c(c36)cccc6)c(c47)cccc7,0.0
1993,CO-ADD:0218655,21.81,C(=O)(N\N=C(/C)\CC(=O)Nc1ccc(cc1Cl)Cl)C(=O)NCC(C)C,0.0
1994,CO-ADD:0226513,21.81,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)c4ccc(cc4)F,0.0
1995,CO-ADD:0226576,21.81,c12n(C=CN(c3ccc(c(C)c3)C)C1=O)c(nn2)SCC(=O)c4c5c([nH]c4)cccc5,0.0
1996,CO-ADD:0225256,21.8,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc3cccc(C)c3)C2=O,0.0
1997,CO-ADD:0226849,21.8,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(ccc(c4C)Br)c4)c(nn1)C(C)C,0.0
1998,CO-ADD:0226018,21.8,C1(=N2)N(C=CN=C1N3CCC(CC3)C)C(N2CC(=O)NCc4ccccc4OC)=O,0.0
1999,CO-ADD:0226592,21.8,c1(C2=O)n(C=CN2c3cccc(Cl)c3C)c(nn1)SCC(=O)c4c5c([nH]c4)cccc5,0.0
2000,CO-ADD:0226876,21.8,c12n(c3c(cccc3)nc1SCC(=O)Nc4cccc(Cl)c4C)c(nn2)C,0.0
2001,CO-ADD:0218716,21.8,c1(c(C)cc(cc1C)C)NC(=O)C\C(\C)=N\NC(c(cc2)ccn2)=O,0.0
2002,CO-ADD:0218764,21.8,[N+](=O)([O-])c(cccc1C(=O)N\N=C(/Cc2ccccc2)\Cc3ccccc3)c1,0.0
2003,CO-ADD:0218699,21.79,c1(ccc(cc1O)O)C(=O)N\N=C(/C)\CC(=O)Nc2c(C)cc(cc2C)C,0.0
2004,CO-ADD:0218359,21.79,c1(ccccc1O)C(=O)N\N=C\c2ccco2,0.0
2005,CO-ADD:0218770,21.78,c1(cc(ccc1O)Cc(ccc(c2\C=N\c(cc3)ccc3Cl)O)c2)\C=N\c(cc4)ccc4Cl,0.0
2006,CO-ADD:0226114,21.78,S(=O)(=O)(N(Cc1cccc(OC)c1)c2ccc(cc2)CC)c3cccn(cnn4)c34,0.0
2007,CO-ADD:0218178,21.78,C1(C2c3ccc(cc3)O)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
2008,CO-ADD:0218218,21.77,N(=C\c(ccc(c1OC)OC)c1)/c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c(ccc(c4OC)OC)c4,0.0
2009,CO-ADD:0218698,21.77,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c2ccccc2O,0.0
2010,CO-ADD:0225448,21.77,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)NCc5ccccc5Cl)=O,0.0
2011,CO-ADD:0226597,21.77,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4C,0.0
2012,CO-ADD:0218053,21.77,C1(C(=O)Nc(ccc(c2C)C)c2)=Cc(c3)c(OC1=N)ccc3[N+](=O)[O-],0.0
2013,CO-ADD:0218061,21.76,N1(c2sccn2)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
2014,CO-ADD:0218085,21.76,C1(C(=O)Oc2ccccc2)=Cc3c(OC1=O)ccc(cccc4)c34,0.0
2015,CO-ADD:0218772,21.76,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(=O)c2ccc(cc2)OC,0.0
2016,CO-ADD:0218111,21.76,c1(SCC(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])oc(c3n1)cccc3,0.0
2017,CO-ADD:0226554,21.76,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)SCC(=O)c4c(C)cc(c(C)c4)C,0.0
2018,CO-ADD:0226837,21.75,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(Cc(cccc5C(F)(F)F)c5)C1=O,0.0
2019,CO-ADD:0226589,21.75,c1(nnc2SC(C)C(=O)Nc(ccc(c34)OCCO3)c4)n2C=CN(c5ccc(c(C)c5)C)C1=O,0.0
2020,CO-ADD:0218172,21.75,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc4nnc(CCC)s4)n2,0.0
2021,CO-ADD:0218628,21.75,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)O)Nc2ccc(cc2Cl)Cl,0.0
2022,CO-ADD:0218068,21.75,N1(Cc(cc2)ccc2F)c3c(C(=O)C1=O)cc(Br)cc3,0.0
2023,CO-ADD:0225986,21.75,n12c(ccc(c3ccc(cc3)C)n1)nnc2CCC(=O)NCc4ccccc4OCC,0.0
2024,CO-ADD:0225251,21.74,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc4ccc(cc4Cl)C)C2=O,0.0
2025,CO-ADD:0226832,21.74,c12n(cnn1)c3c(cccc3)nc2SCC(=O)N(CC4)CCN4c5ccccc5OC,0.0
2026,CO-ADD:0218161,21.74,N1(c2cccc(Br)c2)C(=O)CC(N3CCC(CC3)C)C1=O,0.0
2027,CO-ADD:0218158,21.73,N1(c2cccc(Br)c2)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Cl,0.0
2028,CO-ADD:0218742,21.73,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3O,0.0
2029,CO-ADD:0218262,21.73,c1(ccc(\C=N\NC(=O)c(cccc2[N+](=O)[O-])c2)o1)[N+](=O)[O-],0.0
2030,CO-ADD:0222764,21.72,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c3ccco3,0.0
2031,CO-ADD:0218971,21.72,C(CSc1ccccc1C)(=O)N\N=C\c2cccc(OC)c2,0.0
2032,CO-ADD:0221938,21.72,N1(Nc2ccccc2C)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
2033,CO-ADD:0220887,21.71,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c3ccccc3I,0.0
2034,CO-ADD:0221184,21.71,N(\C(=N/c(cccc1C(F)(F)F)c1)\C2(N3c(cccc4C(F)(F)F)c4)CCCCC2)=C3SC.I,0.0
2035,CO-ADD:0220912,21.71,N(=C(/CC)\c1ccccc1)/NC(CNc2c(Br)cc(c(Br)c2)Br)=O,0.0
2036,CO-ADD:0218974,21.71,C(C(=O)c1ccc(cc1)OC)C(c2cccc(Br)c2)Nc3cccc(Br)c3,0.0
2037,CO-ADD:0221186,21.71,S(=O)(=O)(N1CCCCC1)c(ccc(c2C(=O)Nc3sccn3)Cl)c2,0.0
2038,CO-ADD:0220898,21.71,c1(\C=N\NC(COc2cccc(Br)c2)=O)c(Br)cc(c(O)c1Br)Br,0.0
2039,CO-ADD:0221022,21.71,C(OCCCCCC)(=O)c1ccc(cc1)NC(CCCCCCCCC)=O,0.0
2040,CO-ADD:0220903,21.71,c1(c(cccc1)c(c23)cccc2)C3C(=O)N\N=C\c(cc4)ccc4O,0.0
2041,CO-ADD:0221851,21.7,C(C#N)(C(c1ccccc1I)C2C(OCC)=O)=C(SCC(OCC)=O)NC2=O,0.0
2042,CO-ADD:0218983,21.7,C(CSCC(c1ccccc1)=O)(=O)Nc2ccccc2,0.0
2043,CO-ADD:0329203,21.7,S(=O)(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)C)c3ccc(c(cccc4)c34)OC,0.0
2044,CO-ADD:0328212,21.7,S(=O)(=O)(c1ccc(cc1)OC)c2cc(cc(C)c2O)NS(=O)(=O)c3ccc(cc3)Cl,0.0
2045,CO-ADD:0326471,21.7,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc(cc4OC)cc(c4OC)OC)n2,0.0
2046,CO-ADD:0326208,21.7,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c3ccccc3)\NC(c4ccccc4)=O)c1C,0.0
2047,CO-ADD:0329532,21.69,C1(=S)N(NC(=O)c2cccc(F)c2)C(C(=O)N1c3ccc(cc3)OC)CC(=O)Nc4ccc(cc4C)C,0.0
2048,CO-ADD:0326304,21.68,C1(N(CC2C)CC(O2)C)=NC(\C(=C(\C)/c3ccccc3)\S1)=O,0.0
2049,CO-ADD:0326328,21.68,c1(cc(nn1c2ccc(cc2)OC(Cl)(F)F)C)NC(=O)Nc(cc3)ccc3Cl,0.0
2050,CO-ADD:0328494,21.68,N1(c2ccc(cc2)Cl)C(=O)\C(=C\c3ccc(c(cccc4)c34)OC)\C(NC1=S)=O,0.0
2051,CO-ADD:0330026,21.68,C1(C(F)(F)F)(NC(=O)c2ccco2)C(=O)N(C(=O)N1)CC(C)C,0.0
2052,CO-ADD:0329582,21.67,S(=O)(=O)(Nc(cc1)ccc1OCC(O)=O)c2c(Cl)ccc(OC)c2,0.0
2053,CO-ADD:0328694,21.67,c1([N+](=O)[O-])sc(c2c1Nc(cc3)ccc3OC)cccc2,0.0
2054,CO-ADD:0327997,21.67,C(F)(F)(F)c(ccc(c1NC(CSCCO)=O)Cl)c1,0.0
2055,CO-ADD:0327753,21.67,C(CCc(cc1)ccn1)(Cc2cccc(Cl)c2Cl)(C(=O)NC(N3)=O)C3=O,0.0
2056,CO-ADD:0329966,21.66,c([N+](=O)[O-])(n1)c(Br)c(n1C(C)C(=O)Nc(cc2)ccc2CC#N)C,0.0
2057,CO-ADD:0329718,21.66,C(Cl)(F)(F)Oc(cc1)ccc1NC(=O)CCN(CC2)CCN2C.Cl.Cl,0.0
2058,CO-ADD:0327297,21.65,C12(c3c(NC1=O)cccc3)Nc(cccc4)c4C(=O)N2c5ccc(cc5)C,0.0
2059,CO-ADD:0328287,21.65,S(=O)(=O)(c1ccc(c(Cl)c1)Cl)N(CC2)CCN2c3ccc(cc3)C,0.0
2060,CO-ADD:0328403,21.65,C1(CCC1)(NCC)c2cccc(Cl)c2.Cl,0.0
2061,CO-ADD:0329360,21.65,N1(c2ccccc2F)C(=O)\C(\SC1=N)=C/c(cc3)ccc3Cl,0.0
2062,CO-ADD:0328176,21.65,c1(c(C)c(cc(C(C)C)c1O)NC(=O)c2ccc(cc2)OC)S(c3ccccc3)(=O)=O,0.0
2063,CO-ADD:0328616,21.65,c1(n2)c(ccc(COC(=O)c(c3c4cccc3)c5c(n4)CCC5)c1)no2,0.0
2064,CO-ADD:0327818,21.64,c1([C@H]([C@](C)(C(C)(C)[C@@H]23)CC2)C3)c(O)c(C(C)=CC(=O)O4)c4c([C@@H]([C@@](C)(C(C)(C)[C@H]56)CC5)C6)c1,0.0
2065,CO-ADD:0329338,21.64,C(=C\c(cc1)ccc1OCc2ccccc2F)(/C3=O)\C(=O)OC4(CCCC4)O3,0.0
2066,CO-ADD:0326685,21.64,n(n(Cc(cc1C)cc(c1O)C)nn2)c2c3ccccc3,0.0
2067,CO-ADD:0329736,21.63,c12c(n(cn1)CCN(C)C)C(NC(=O)N2C)=O.Cl,0.0
2068,CO-ADD:0327840,21.63,C(C#N)(C(C)(C)C(C#N)C(N1)=O)=C1SCCCCC,0.0
2069,CO-ADD:0327763,21.63,N1(N=C(S2)CC)C2=NC(=O)\C(=C\c(ccc(c3OCC)OCc(cc4)ccc4F)c3)\C1=N,0.0
2070,CO-ADD:0328724,21.63,S(=O)(=O)(Oc1ccccc1)NC(=O)Nc2cc(on2)C,0.0
2071,CO-ADD:0329712,21.63,c(SCC(=O)N(C)c1ccc(cc1)OC(F)(F)F)(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3,0.0
2072,CO-ADD:0327592,21.63,c1(C#N)c(COC)cc(nc1SCC(=O)Nc2cccc(C)c2)C,0.0
2073,CO-ADD:0329893,21.62,C(C#N)(=C(C)C(C(O)=O)=NN1c(cccc2C(F)(F)F)c2)C1=O,0.0
2074,CO-ADD:0329741,21.62,C1(C(F)(F)F)(NC(=O)c(cccn2)c2)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
2075,CO-ADD:0328531,21.62,c1(SC(CC)C(=O)Nc2cc(on2)C)nc(N)c(c(c(cc3OC)cc(c3OC)OC)c1C#N)C#N,0.0
2076,CO-ADD:0329394,21.62,N1(c2ccc(cc2)OC)C(=O)C(N(CCCn3nc(cc3C(F)(F)F)C(F)(F)F)C1=S)CC(=O)Nc(cc4)ccc4OCCC,0.0
2077,CO-ADD:0329188,21.62,c1(C2c(cccn3)c3)c([nH]nc1c4cc(sc4C)C)OC(N)=C2C#N,0.0
2078,CO-ADD:0327886,21.62,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc(cc4)ccc4NC(=O)c5ccc(cc5)F,0.0
2079,CO-ADD:0328197,21.61,S(c1ccccc1)(=O)(=O)c2c(O)c(C)cc(NC(=O)c(cccc3[N+](=O)[O-])c3)c2C(C)C,0.0
2080,CO-ADD:0328606,21.61,C1(=O)N(CC)c2c(Oc(cc(cc3[N+](=O)[O-])Oc4ccccc4)c13)cccc2,0.0
2081,CO-ADD:0236492,21.61,C1(CCCC2)C2C1C(=O)N\N=C(/C)\CCc3ccccc3,0.0
2082,CO-ADD:0229625,21.61,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)cc(c4OC(C)=O)OCC)\C1=O,0.0
2083,CO-ADD:0236077,21.6,c1(C(=O)Nc(cc(Oc2ccc(cc2Cl)Cl)cc3[N+](=O)[O-])c3)c(Cl)c4c(cccc4)s1,0.0
2084,CO-ADD:0233684,21.6,[N+](=O)([O-])c1ccc(cc1)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4.[I-],0.0
2085,CO-ADD:0234411,21.6,[C@]12(CO3)[C@@]([H])(CCCC14CO4)C(C35)([C@@H](C)CC2)CC(O5)c6ccoc6,0.0
2086,CO-ADD:0233389,21.6,C(=O)(\C=C\c1ccccc1)N(O)c2ccc(cc2)Br,0.0
2087,CO-ADD:0234928,21.6,c1(\C=N\NC(COc2c(Br)cc(cc2Br)C)=O)c3c(cccc3)cc(Br)c1O,0.0
2088,CO-ADD:0236353,21.6,[n+]1(c(ccc(c2C(O)=O)O)c2)nc(c3[n-]1)non3,0.0
2089,CO-ADD:0233127,21.6,[N+](=O)([O-])c1cccnc1Nc2ccccc2,0.0
2090,CO-ADD:0231623,21.6,c1([nH]c(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c(cc(Cl)cc4Br)c4O,0.0
2091,CO-ADD:0233350,21.59,C(OCCCN(CC1)CCO1)(=O)c2ccc(c(OC)c2)O.Cl,0.0
2092,CO-ADD:0236056,21.59,c1(ccc(\C=N\NC(=O)C2CC23CCC3)s1)[N+](=O)[O-],0.0
2093,CO-ADD:0234686,21.59,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(COc(ccc(c3C)C)c3)=O,0.0
2094,CO-ADD:0234627,21.59,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c3ccccc3I,0.0
2095,CO-ADD:0234242,21.59,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccccc2Br)=O)c3ccccc3Br,0.0
2096,CO-ADD:0233570,21.58,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(=O)C(O)c3ccccc3,0.0
2097,CO-ADD:0233204,21.58,N1(c2ccccn2)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
2098,CO-ADD:0233615,21.58,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C\c(cc2)ccc2OCCCCCCCC,0.0
2099,CO-ADD:0233703,21.57,C(=O)(c1ccc(cc1)OCCN(C)C)N(CC2)CCC2(C)c3sccn3,0.0
2100,CO-ADD:0229414,21.57,C(=N\NC(c1ccccc1)=O)(/c(cc(Br)cc2C)c2N3C)\C3=O,0.0
2101,CO-ADD:0229836,21.57,c1(C(=O)c2ccc(cc2)F)oc(c3c1N)cccc3,0.0
2102,CO-ADD:0234357,21.56,C(=O)(Nc1ccccc1Cl)Nc2c(C)ccc(c2)NC(=O)Nc3ccccc3Cl,0.0
2103,CO-ADD:0234379,21.56,c1(n[nH]c(N)n1)c2n[nH]c(N)n2,0.0
2104,CO-ADD:0236873,21.56,C1(=Cc2c(OC1=O)ccc(Br)c2)c3csc(Nc(cc4)ccc4Br)n3,0.0
2105,CO-ADD:0234105,21.56,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)N\N=C\c3ccccc3,0.0
2106,CO-ADD:0236892,21.56,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)Nc2c(C)cccc2C,0.0
2107,CO-ADD:0234048,21.55,C(=C\c(cc1)ccc1F)/C(=O)c2ccc(cc2)I,0.0
2108,CO-ADD:0227620,21.54,c1(sc(c2n1)cccc2)c3ccc(cc3O)\N=C\c(cc4)ccc4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-],0.0
2109,CO-ADD:0231346,21.54,C(CSCc1cccc(Cl)c1)(=O)N\N=C\c(cc2)ccc2OCc3ccccc3Cl,0.0
2110,CO-ADD:0227303,21.54,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c(cc3OC)cc(c3OC)OC,0.0
2111,CO-ADD:0227863,21.53,c(C(F)(F)F)(n1)c(c2ccccc2)sc1NC(=O)c3ccccc3F,0.0
2112,CO-ADD:0229675,21.53,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])N2CCSC2c3ccc(c(Br)c3)OC,0.0
2113,CO-ADD:0227765,21.53,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/C=C2)\c(cccc3O)c3C2=O)[N+](=O)[O-],0.0
2114,CO-ADD:0227087,21.53,C12(c3c(NC1=O)cccc3)C4=C(CCCC4=O)OC(N)=C2C(OC)=O,0.0
2115,CO-ADD:0229256,21.52,N1(CN(c(ccc(c23)c4c(cccc4)o2)c3)C(=O)C(F)(F)F)C(=O)c5c(cc(cc5)Br)C1=O,0.0
2116,CO-ADD:0227955,21.52,c1(O)c(OC)cc(cc1OC)\C=N\NC(COc2cccc(C)c2)=O,0.0
2117,CO-ADD:0231844,21.51,c1(OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccc(cc3)Br)c(OC)cc(cc1Br)Br,0.0
2118,CO-ADD:0227411,21.51,c(\C=N\NC(CNc(ccc(c12)cccc1)c2)=O)(cc(Br)cc3Br)c3OC,0.0
2119,CO-ADD:0227395,21.5,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccccc2Br)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
2120,CO-ADD:0231708,21.5,c1(C(=O)N\N=C\c(cc(Cl)cc2Br)c2O)nn(c(c3ccccc3)n1)c4ccccc4,0.0
2121,CO-ADD:0227791,21.5,C(OCCN(C)C)(NCCCCNC(OCCN(C)C)=O)=O,0.0
2122,CO-ADD:0227944,21.5,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c(cc(Br)c(c4Br)O)c4O,0.0
2123,CO-ADD:0229139,21.5,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c(cc2)ccc2NC(=O)c3ccccc3Cl,0.0
2124,CO-ADD:0229467,21.49,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\NO,0.0
2125,CO-ADD:0229104,21.49,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2ccc(cc2)OCc3ccccc3)O)c1,0.0
2126,CO-ADD:0229351,21.49,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc(c2OCC)OCc(cc3)ccc3Cl)c2)c4c(OC)ccc(Cl)c4,0.0
2127,CO-ADD:0229363,21.49,S1(=O)(=O)c2c(C(Nc3ccccc3C(OC)=O)=N1)ccc(c2)[N+](=O)[O-],0.0
2128,CO-ADD:0231815,21.49,c1(Br)c(O)c(\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)cc(Br)c1OC,0.0
2129,CO-ADD:0227744,21.48,c(C(=O)c1ccc(cc1)C)(sc(c23)nc(cc2C(F)(F)F)c4cccs4)c3N,0.0
2130,CO-ADD:0229422,21.48,c1(O)c(cc(cc1C(C)(C)C)CCCOC(=O)c2ccccc2C(OCCCc(cc3C(C)(C)C)cc(c3O)C(C)(C)C)=O)C(C)(C)C,0.0
2131,CO-ADD:0229273,21.48,N1\C(=N/c(cccc2C(F)(F)F)c2)\C3(N(CC#N)C1=S)CCCCC3,0.0
2132,CO-ADD:0229903,21.47,c1(ccc(cc1Cl)Cl)C(=O)Nc(cc2)ccc2C(N)=O,0.0
2133,CO-ADD:0229530,21.47,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3O,0.0
2134,CO-ADD:0227513,21.47,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C/c(ccc(c3Cl)OC)c3,0.0
2135,CO-ADD:0227788,21.47,C1(C#N)(C#N)[C@H](c2cccc(cccc3)c23)[C@H](N(c4c(cccc4)C=C5)[C@@]15[H])C(c6ccccc6)=O,0.0
2136,CO-ADD:0229416,21.46,c1(ccc(cc1N2CCCC2)N3CCCC3)[N+](=O)[O-],0.0
2137,CO-ADD:0231314,21.46,c1(cc(ccc1NC(=O)\C=C\C=C\C)Cc(ccc(c2C(O)=O)NC(=O)\C=C\C=C\C)c2)C(O)=O,0.0
2138,CO-ADD:0228000,21.46,C(=N/NC(COc1ccc(cc1OC)Br)=O)(/c2c(N3)ccc(Br)c2)\C3=O,0.0
2139,CO-ADD:0229722,21.46,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(COc(cc2)ccc2C)=O,0.0
2140,CO-ADD:0229677,21.46,N1(Cc2ccccc2)C(=O)NC(\C(=C/c(c(cccc3)c3n4C)c4)\C1=O)=O,0.0
2141,CO-ADD:0227506,21.46,N(=C(/C)\c1ccc(cc1)N)/NC(COc2cccc(Cl)c2)=O,0.0
2142,CO-ADD:0229867,21.46,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(cc3)ccc3F)n2)N(CC4)CCO4,0.0
2143,CO-ADD:0229155,21.45,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)Nc2nnc(C)s2,0.0
2144,CO-ADD:0227326,21.45,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(ccc(c3OC)O)c3,0.0
2145,CO-ADD:0227563,21.45,c1(O)c(OCC)cc(cc1I)\C=N\NC(COc2cccc(C)c2)=O,0.0
2146,CO-ADD:0227232,21.45,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\C=C/c2ccccc2,0.0
2147,CO-ADD:0229685,21.44,C(CNc1cccc(Br)c1)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
2148,CO-ADD:0227292,21.44,c1(cc(Cl)cc(\C=N\NC(COc2ccc(cc2OC)Br)=O)c1O)[N+](=O)[O-],0.0
2149,CO-ADD:0227565,21.44,C(COc1cccc(C)c1)(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
2150,CO-ADD:0229134,21.44,C(=O)(N\N=C\c1ccccc1OC)c2ccc(cc2)NC(CCC)=O,0.0
2151,CO-ADD:0229466,21.44,N1(c2ccc(c(C)c2)C)N=C(CC1=O)C,0.0
2152,CO-ADD:0227960,21.44,c1(O)c(OC)cc(cc1OC)\C=N\NC(COc(cc2)ccc2C)=O,0.0
2153,CO-ADD:0231857,21.43,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)C(C)(C)C,0.0
2154,CO-ADD:0227557,21.43,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(COc3cccc(C)c3)=O,0.0
2155,CO-ADD:0231697,21.43,c1(C(=O)N\N=C\c2c(Br)cc(c(O)c2Br)Br)nn(c(c3ccccc3)n1)c4ccccc4,0.0
2156,CO-ADD:0229199,21.43,n1(nnc(C)c1C(=O)N\N=C\c(ccc(c2OC)O)c2)c3nonc3N,0.0
2157,CO-ADD:0227817,21.42,c1(ccc(\C=N\c(cc2)ccc2OC)o1)Sc3ccccn3,0.0
2158,CO-ADD:0227499,21.42,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(COc3cccc(Cl)c3)=O)Br,0.0
2159,CO-ADD:0227764,21.42,N1(CCCC(NCCCCC)=O)C(=O)c2c(cccc2)C1=O,0.0
2160,CO-ADD:0229485,21.42,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3cccc(n3)N\C=C(\C(C)=NN4c5ccc(cc5)C)/C4=O,0.0
2161,CO-ADD:0231729,21.42,c1(OCC(=O)N\N=C\c(ccc(c2Br)O)c2)c(OC)cc(cc1Br)Br,0.0
2162,CO-ADD:0227074,21.41,C1(C(OCC)=O)=C(c2c(cccc2)CC13CCCCC3)NC(c4ccccc4)=O,0.0
2163,CO-ADD:0229192,21.41,n1(c(C)c(nn1)\C(\C)=N\NC(c(cc2)ccn2)=O)c3nonc3N,0.0
2164,CO-ADD:0227207,21.41,[N+](=O)([O-])c1ccccc1C(OCCN(C(C)C)C(C)C)=O.Cl,0.0
2165,CO-ADD:0227548,21.4,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(CNc(cc3)ccc3C)=O,0.0
2166,CO-ADD:0227549,21.4,N(=C\c1cc(Br)ccc1O)/c2cc(CC)ccc2O,0.0
2167,CO-ADD:0231691,21.4,c1(C(=O)N\N=C\c2cccc(C)c2O)nn(c(c3ccccc3)n1)c4ccccc4,0.0
2168,CO-ADD:0227415,21.4,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c3ccc(cc3O)O,0.0
2169,CO-ADD:0229681,21.4,[N+](=O)([O-])c(cccc1C(=O)Nc(cccc2c3csc(C)n3)c2)c1,0.0
2170,CO-ADD:0229591,21.4,c(C(OCC)=O)(c(N)c(c12)ccc(c3ccccc3)n1)s2,0.0
2171,CO-ADD:0227184,21.4,N(=C\c(ccc(c1Br)OC)c1)/c2cc(ccc2O)Cc(ccc(c3\N=C\c(ccc(c4Br)OC)c4)O)c3,0.0
2172,CO-ADD:0231275,21.39,[N+](=O)([O-])c1cccc(c1)\N=C\c(cc2)ccc2OCc(cc3)ccc3Br,0.0
2173,CO-ADD:0229529,21.39,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3c4ccc(cc4)N\C=C(\C(C)=NN5c6ccc(cc6)C)/C5=O,0.0
2174,CO-ADD:0231315,21.39,[N+](=O)([O-])c(cccc1C(=O)Oc(cc2)ccc2\C=N\c3ccc(cc3C)C)c1,0.0
2175,CO-ADD:0229286,21.39,c1(NC(C)CCCN(CC)CC)c(ccc(c2)Cl)c2nc(C)n1,0.0
2176,CO-ADD:0227337,21.39,[N+](=O)([O-])c1ccccc1\C=N\NC(COc2ccc(cc2OC)Br)=O,0.0
2177,CO-ADD:0229634,21.38,c1(Nc2ccccc2OC)c(c(C)nc(Nc(cc3)ccc3OC)n1)[N+](=O)[O-],0.0
2178,CO-ADD:0231194,21.38,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)NCC(=O)N\N=C(\CCC2)/C2,0.0
2179,CO-ADD:0227439,21.38,C(CNc(cc1)ccc1Cl)(=O)N\N=C\C(\C)=C\c(cc2)ccc2C(C)C,0.0
2180,CO-ADD:0227194,21.37,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2Cl,0.0
2181,CO-ADD:0231217,21.37,c(c(F)c1F)(c(F)c(c1Oc2cccc(N)c2)F)c(c(F)c3F)c(F)c(c3Oc4cccc(N)c4)F,0.0
2182,CO-ADD:0229145,21.37,N(/c(cc1)ccc1I)=C\C=C\c2ccccc2,0.0
2183,CO-ADD:0229095,21.36,C(=O)(N\N=C\c(cc1)ccc1OCCCCC)c2ccc(cc2)NC(CCC)=O,0.0
2184,CO-ADD:0227425,21.36,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
2185,CO-ADD:0229666,21.36,[C@@]1(C#N)(C#N)[C@]([H])(c2cccc(OC)c2)[C@@](N3[C@]1([H])C=Cc4c3ccc(cccc5)c45)([H])C(c6ccccc6)=O,0.0
2186,CO-ADD:0229433,21.36,C(=O)(N\N=C\c(ccc(c1OC)O)c1)c2ccc(cc2)NC(CCCCCCC)=O,0.0
2187,CO-ADD:0229407,21.35,N1(C(c2ccccc2)CC(C3=CC=CC3[Fe]C4C=CC=C4)=N1)\C(\C)=C/C(OCC)=O,0.0
2188,CO-ADD:0227059,21.35,c1(\C=N\NC(=O)c2ccc(cc2)N)c(cccc1Cl)Cl,0.0
2189,CO-ADD:0227088,21.35,C12(c3c(NC1=O)cccc3)C(C(OCC)=O)=C(C)OC(N)=C2C(=O)OC(C)(C)C,0.0
2190,CO-ADD:0227236,21.34,c1(O)c(cccc1\C=N\c(cc2)ccc2NC(C)=O)F,0.0
2191,CO-ADD:0227889,21.34,c(ccc(c1)OC)(\C(\CCO2)=N/OC(=O)c3ccc(cc3)Oc4ccccc4)c12,0.0
2192,CO-ADD:0227532,21.34,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
2193,CO-ADD:0231679,21.34,c1(C(=O)N\N=C\c2ccccc2[N+](=O)[O-])nn(c(c3ccccc3)n1)c4ccccc4,0.0
2194,CO-ADD:0227250,21.34,CC(C)(C(C1)C2)C2[C@H](CSc3n(c4ccccc4)c(c5ccccc5)nn3)C1,0.0
2195,CO-ADD:0231234,21.33,C(=O)(c1cccc(Br)c1)Nc2ccc(cc2C)I,0.0
2196,CO-ADD:0236423,21.33,S1(=O)(=O)c(cccc2)c2C(SCCOC(=O)c3cccc(C)c3)=N1,0.0
2197,CO-ADD:0236399,21.32,C(=C/c(c(cccc1)c1n2Cc3ccccc3)c2)(/C4=O)\C(=O)NC(=O)N4,0.0
2198,CO-ADD:0236363,21.32,N1(Cc(cc2)ccc2S(=O)(=O)NCc(ccc(c34)OCO3)c4)C(=O)c5c(cccc5)C1=O,0.0
2199,CO-ADD:0234179,21.32,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(F)c3,0.0
2200,CO-ADD:0236300,21.32,S(=O)(=O)(N(CC1)CCO1)c2c(OC)ccc(c2)C(=O)OCC(c3ccccc3)=O,0.0
2201,CO-ADD:0233358,21.31,[N+](=O)([O-])c(cccc1C(=O)Nc(cc(cc2C(O)=O)C(O)=O)c2)c1,0.0
2202,CO-ADD:0229777,21.31,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(OCC)c3)n1,0.0
2203,CO-ADD:0233642,21.31,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
2204,CO-ADD:0234693,21.31,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(COc(ccc(c3C)C)c3)=O,0.0
2205,CO-ADD:0233469,21.31,c1(N(CC2)CCO2)nc(N\N=C/c(cc3)ccc3F)nc(Nc4ccccc4)n1,0.0
2206,CO-ADD:0233572,21.31,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3OCC)cc(c3O)Br,0.0
2207,CO-ADD:0236874,21.31,S(=O)(=O)(NCc1ccco1)c(ccc(c23)ccc(C)c2)c3,0.0
2208,CO-ADD:0234084,21.3,[N+](=O)([O-])c(cc1)ccc1C(=O)NNC(=O)c2cccc(OC)c2,0.0
2209,CO-ADD:0231796,21.3,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3Br)c4cccc(Cl)c4Cl,0.0
2210,CO-ADD:0234635,21.3,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(CNC(=O)c2ccco2)=O,0.0
2211,CO-ADD:0227697,21.29,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])Cl)c1)Nc2ccc(cc2C(=O)Nc3c(Cl)ccc(Cl)c3)Cl,0.0
2212,CO-ADD:0229009,21.29,S(=O)(=O)(c1ccc(cc1)C)Oc2c(ccc3c2OC(=O)C=C3C)OS(=O)(=O)c4ccc(cc4)C,0.0
2213,CO-ADD:0234491,21.29,c1(C(OCC)=O)c(CN(CC2)CCN2c3ccccc3)n(c(ccc(OC)c4S(c5ccccc5)(=O)=O)c14)C,0.0
2214,CO-ADD:0233580,21.28,c1(cc(Cl)cc(\C=N\c2cccc(Cl)c2Cl)c1O)[N+](=O)[O-],0.0
2215,CO-ADD:0236863,21.28,c1(SCC(=O)c2ccc(cc2)Cl)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
2216,CO-ADD:0233139,21.28,c12c(non1)nc(NC)c(Nc3ccccc3)n2,0.0
2217,CO-ADD:0233155,21.28,n1(c2cc(C)ccc2OC(COc3ccccc3)=O)nc(c4n1)cccc4,0.0
2218,CO-ADD:0233745,21.28,c1(C(=O)N(CC2)CCC2c(n[nH]c3C(F)(F)F)c3)nn(cc1Cl)CC,0.0
2219,CO-ADD:0236094,21.27,c1(\C=N\c(cc2)ccc2O)c3c([nH]c1C)cccc3,0.0
2220,CO-ADD:0236024,21.27,N1(CC(=O)Oc(ccc(c23)C=CC(=O)O2)c3)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
2221,CO-ADD:0235994,21.27,C1(C2=O)C(NN=C1C(OC)=O)C(N2c3ccccc3)=O,0.0
2222,CO-ADD:0229783,21.27,c1(ccc(\C=N\NC(=O)c2cccc(OC)c2)o1)Sc3cccc(cccn4)c34,0.0
2223,CO-ADD:0228978,21.27,S(N)(=O)(=O)c1ccc(cc1)NC(=O)C(F)(F)F,0.0
2224,CO-ADD:0227682,21.26,c1([nH]c(c2n1)cccc2)\C(=N/OC(C)=O)\C(\N)=N\OC(C)=O,0.0
2225,CO-ADD:0236910,21.26,N1(\N=C\C=C\c2ccccc2)C(=O)C(C3C1=O)C(CC4)C=CC34,0.0
2226,CO-ADD:0236327,21.26,C12=C(C(C(C#N)=C(N)O1)c3ccccc3F)C(N(C)C(=O)N2C)=O,0.0
2227,CO-ADD:0233385,21.26,n(\N=C\c1ccc(cc1OC)OC)(cnn2)c2,0.0
2228,CO-ADD:0233576,21.25,c1(c(Br)cc(cc1\C=N\NC(=O)c(c2)cc(cn2)Br)Br)OC(=O)c3cccc(F)c3,0.0
2229,CO-ADD:0233610,21.25,N1(CNc(cc2)ccc2C(O)=O)C(=O)c3c(cccc3)C1=O,0.0
2230,CO-ADD:0229069,21.25,c1(cc(OC)cc(\C=N\NC(=O)c(cccc2NC(=O)c3ccc(cc3)F)c2)c1O)[N+](=O)[O-],0.0
2231,CO-ADD:0229812,21.25,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)NC(C)c3ccccc3,0.0
2232,CO-ADD:0233733,21.25,C(=O)([C@@H]1CCC(=O)N1)N(CC2)CCC2(C)c(ccn3)o3,0.0
2233,CO-ADD:0258664,21.24,S(c1ccccc1)(=O)(=O)N(CC(NCCSc2sc(c3n2)cccc3)=O)c4ccc(cc4OC)OC,0.0
2234,CO-ADD:0257467,21.24,N1=C(N\N=C\c(cc2)ccc2OCCCCC)SCC1=O,0.0
2235,CO-ADD:0258611,21.24,C1(C(OCCOC)=O)=C(C)NC(NC1c2ccc(c(OCC)c2)O)=O,0.0
2236,CO-ADD:0258707,21.24,c1(c(C)onc1c2ccccc2Cl)C(=O)N(CC3)CCN3c(cc4)cc(c4[N+](=O)[O-])N5CCCC5,0.0
2237,CO-ADD:0257314,21.23,C(/C#N)(=C/c(cc1)ccc1N2Cc(c3C2)cccc3)\C(OCC)=O,0.0
2238,CO-ADD:0257354,21.23,n1c(c2ccc(c(OC)c2)OCc3ccccc3Cl)[nH]c(c4ccccc4)c1c5ccccc5,0.0
2239,CO-ADD:0258481,21.22,n1(c2ccccc2)c(COc(cc3)ccc3C(C)(C)C)nnc1SCC(N)=O,0.0
2240,CO-ADD:0278649,21.22,S1(=O)(=O)c(cccc2)c2C(NCCCNC(=O)c3cccc(cccc4)c34)=N1,0.0
2241,CO-ADD:0258523,21.22,[N+](=O)([O-])c(c(C)c1)cc(c1c2ccc(\C=N\c(ccc(c3Cl)Cl)c3)o2)C,0.0
2242,CO-ADD:0259837,21.22,c1(NC(=O)CC2c3cc(OC)c(cc3Br)OC)c2ccc(cccc4)c14,0.0
2243,CO-ADD:0277802,21.22,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)Nc3ncc(c4ccccc4)s3,0.0
2244,CO-ADD:0258815,21.22,c1(n2nc(C)c1[N+](=O)[O-])n(nc(c3[N+](=O)[O-])C)c3n(nc(C)c4[N+](=O)[O-])c24,0.0
2245,CO-ADD:0258126,21.22,N1(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C(=C\c(cc4OC)cc(c4OC)Br)\C1=O,0.0
2246,CO-ADD:0257347,21.22,c1(C#N)c(c2ccc(cc2)C)cc(nc1N)c3ccccc3,0.0
2247,CO-ADD:0257875,21.22,n1(c2c(nn1)cccc2)S(=O)(=O)c3c(C)ccc(c3)[N+](=O)[O-],0.0
2248,CO-ADD:0258123,21.22,N1(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C(=C\c(ccc(c4OCC)O)c4)\C1=O,0.0
2249,CO-ADD:0258785,21.22,C12(c(cccc3)c3C(c4ccc(cc4)C)(c5ccc(cc5)C)S1)N(c6ccc(cc6)C)N=C(C(C)=O)S2,0.0
2250,CO-ADD:0283043,21.21,o(c1c2cccc(c2)NC(C)=O)c(c3cccc(c3)NC(C)=O)nn1,0.0
2251,CO-ADD:0257236,21.21,N1\C(=N/C)\SC(CC(=O)Nc2ccc(cc2C)C)C1=O,0.0
2252,CO-ADD:0258388,21.21,N1(c2ccc(cc2C)I)C(=O)C(C(C1=O)C34CO)C(c(c35)cccc5)c(c46)cccc6,0.0
2253,CO-ADD:0259849,21.2,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\CCc(ccc(c34)OCO3)c4,0.0
2254,CO-ADD:0258127,21.2,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c3ccco3)\N2,0.0
2255,CO-ADD:0257904,21.18,C(F)(F)(F)c(ccc(n1)N\N=C\c(cc2)ccc2O)c1,0.0
2256,CO-ADD:0258392,21.18,N1(c2ccc(cc2Cl)Cl)C(=O)C(C(C1=O)C34CO)C(c(c35)cccc5)c(c46)cccc6,0.0
2257,CO-ADD:0259885,21.18,N(C(CCC(OC(C)C)=O)=O)c1ccc(cc1Cl)Cl,0.0
2258,CO-ADD:0277625,21.17,C(C#N)(C1c2ccccc2Cl)=C(SCC(=O)c3ccc(cc3)Cl)NC(C)=C1C(C)=O,0.0
2259,CO-ADD:0277385,21.17,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4cccc(C)c4)\N2C5CCCCC5,0.0
2260,CO-ADD:0258421,21.16,C(=O)(Nc(cc1)ccc1I)c2ccccc2C(=O)c3[nH]ccn3,0.0
2261,CO-ADD:0258469,21.16,n1(nnc(C(O)=O)c1CSc2oc(c3n2)cccc3)c4nonc4N,0.0
2262,CO-ADD:0284403,21.16,c1(C(O)=O)sc2c(c(C)cc(C)n2)c1N,0.0
2263,CO-ADD:0278867,21.16,C(/C(=O)C1)(\C(=O)CC1(C)C)=C(\c2c(cccc2)CC34CCCCCC3)/N4,0.0
2264,CO-ADD:0279107,21.16,[N+](=O)([O-])c1cccc(c1C)C(=O)Nc(cc2)c(Br)cc2[N+](=O)[O-],0.0
2265,CO-ADD:0278860,21.16,c1(SCC(=O)Nc(cc2)ccc2C#N)[nH]c(c3n1)ccc(OC)c3,0.0
2266,CO-ADD:0258830,21.15,C(F)(F)(COC(=O)C1CC=CCC1C(=O)Nc(cc2)ccc2Cl)C(F)F,0.0
2267,CO-ADD:0257917,21.15,c(CC(NC(OCC(C)C)=O)C(=O)NC1CCCCCC1)(c2c([nH]3)cccc2)c3,0.0
2268,CO-ADD:0258062,21.15,S(=O)(=O)(CCc(n1)oc(n1)c2ccc(cc2)F)c3ccc(cc3)C,0.0
2269,CO-ADD:0259648,21.14,C(/C#N)(=C/c1ccc(cc1Cl)Cl)\C(=O)Nc2ccccc2C,0.0
2270,CO-ADD:0259043,21.14,[nH]1c2c(c(ccc(C(C)=O)c3)c13)ccc(C(C)=O)c2,0.0
2271,CO-ADD:0259856,21.14,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3F)\N2CCc(cc4)ccc4OC)N(CC5)CCO5.Br,0.0
2272,CO-ADD:0259912,21.14,c1(SCc2ccccc2)sc3c(ccc(c3)\N=C\c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)n1,0.0
2273,CO-ADD:0259710,21.14,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(c(cccc4)c4n5Cc6ccccc6Cl)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
2274,CO-ADD:0259018,21.14,C(/S1)(=N\c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])\C(Cl)=NS1,0.0
2275,CO-ADD:0277573,21.14,C(C#N)(C(c1ccccc1)CC(N2)=O)=C2SCc(cc3)ccc3C,0.0
2276,CO-ADD:0283471,21.14,O=Cc1cccc(I)c1,0.0
2277,CO-ADD:0283559,21.14,N1(N=C(CC1(O)c(cccn2)c2)C)C(=O)c3ccccc3Cl,0.0
2278,CO-ADD:0277670,21.14,N1(CCc(ccc(c2OC)OC)c2)C(=O)CC(N(CC3)CCN3CC)C1=O,0.0
2279,CO-ADD:0323479,21.14,c(NC(=O)C(F)(F)F)(c(Oc1ccccc1)c(NC(=O)C(F)(F)F)c(c2NC(=O)C(F)(F)F)Oc3ccccc3)c2Oc4ccccc4,0.0
2280,CO-ADD:0324752,21.13,N1(C2(CCCCC2)C(=O)Nc(cc3)ccc3OC)C(c4ccc(c(OC)c4)OCC)CC1=O,0.0
2281,CO-ADD:0324768,21.13,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(cc3OC)OC)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
2282,CO-ADD:0323570,21.13,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C(=O)c4cccc(F)c4,0.0
2283,CO-ADD:0324706,21.13,N1(CCCCCC(=O)n2cc(c(N)n2)C#N)C(=O)c3c(cccc3)C1=O,0.0
2284,CO-ADD:0321269,21.12,c1(c2ccccc2Cl)nnc(cccc3Cl)n13,0.0
2285,CO-ADD:0323394,21.12,N1(C(=O)CSc2c(cc(c3n2)CCC3)C#N)c4c(cccc4)Sc(ccc(Cl)c5)c15,0.0
2286,CO-ADD:0324714,21.12,C(=O)(c1ccccc1F)NC(=O)Nc2cc([nH]n2)C,0.0
2287,CO-ADD:0321047,21.12,N1(c2ccc(cc2)OC(F)(F)Cl)C(=O)CC(N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)C1=O,0.0
2288,CO-ADD:0324239,21.12,c12c(CCNC1c3ccc(c(C)c3)OC)cc(c(OCC)c2)OCC.Cl,0.0
2289,CO-ADD:0321062,21.11,C(C(OC)=O)(=CN(CC(C1)(C2)CC(CC2CC13)C3)C=C4C(OC)=O)C4c5cccs5,0.0
2290,CO-ADD:0323548,21.11,n(CC(=O)N1CCC(CC1)C)(c2c(c3\C=C(/C#N)\C(=O)NC4CC4)cccc2)c3,0.0
2291,CO-ADD:0323350,21.11,N1(CC)C(=O)C(N(Cc(cc2)ccc2F)C1=S)CC(=O)Nc(cc3)ccc3OCC,0.0
2292,CO-ADD:0323374,21.1,S(=O)(=O)(N(C)C)c(c(C)ccc1C(c(cccc2)c2C(N3CC(=O)Nc(cc4)ccc4OC(Cl)(F)F)=O)=N3)c1,0.0
2293,CO-ADD:0323633,21.1,C(C)(C)(C(=O)OC(C1(C)C)C(=O)c2ccc(cc2)Br)C1=O,0.0
2294,CO-ADD:0321086,21.1,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2NS(=O)(=O)c3ccc(cc3)C)C(=O)c(cc4)ccc4C(F)(F)F,0.0
2295,CO-ADD:0323698,21.1,c1(OC)cc(CCNCc2ccccn2)ccc1OC.Cl,0.0
2296,CO-ADD:0320810,21.1,N1(Cc(cc2)ccc2Cl)\C(=N\c3ccccc3)\SC(C(=O)Nc(cc4)ccc4C(OC)=O)CC1=O,0.0
2297,CO-ADD:0320826,21.09,c1(scc(c2ccc(cc2)Cl)n1)N(CC3)CC(N34)CCC4,0.0
2298,CO-ADD:0323583,21.09,C(=O)(c(cccc1C(=O)NC2CCCCCCCCCCC2)c1)NC3CCCCCCCCCCC3,0.0
2299,CO-ADD:0324805,21.09,S(=O)(=O)(c(cc1)ccc1C(NCCc(c2c([nH]3)cccc2)c3)=O)N(CC4)CCO4,0.0
2300,CO-ADD:0323286,21.09,C1(=Cc2c(ccc(cccc3)c23)OC1c4ccc(c(OCC)c4)OCC)[N+](=O)[O-],0.0
2301,CO-ADD:0319788,21.08,c1(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])sc(c3c1C(OCC)=O)CCCCC3,0.0
2302,CO-ADD:0319708,21.08,C1(=C(CC(c2ccccc2)CC1=O)Nc(c3N4C(C)=O)cccc3)C4c5cccc(c5)OC(C)=O,0.0
2303,CO-ADD:0320992,21.07,N1(c2c(OC)ccc(OC)c2)C(=O)NC(\C(=C/c3ccc(C)o3)\C1=O)=O,0.0
2304,CO-ADD:0323947,21.07,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3ccc(c(cccc4)c34)OCC,0.0
2305,CO-ADD:0323636,21.07,C(C)(C)(C(=O)OC(C1(C)C)C(=O)c2ccc(cc2)C)C1=O,0.0
2306,CO-ADD:0324240,21.07,c12c(CCNC1c3cccc(O)c3)cc(c(OCC)c2)OCC.Cl,0.0
2307,CO-ADD:0320660,21.07,c1(noc(c2cccc(COc(cc3)ccc3C(C)(C)C)c2)n1)c4nonc4N,0.0
2308,CO-ADD:0319822,21.07,c1(NC(=O)c2ccc(cc2)OC)sc(c3c1C(OCC)=O)CCCCC3,0.0
2309,CO-ADD:0320614,21.07,n1(CC=C)c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1c(cccn3)c3,0.0
2310,CO-ADD:0319674,21.06,N(c1c(cccc1)NC(CC(c2ccc(cc2)C)CC3=O)=C34)(C(=O)C5CC5)C4c(cc6)ccc6C(OC)=O,0.0
2311,CO-ADD:0319802,21.06,c1(NC(=O)c2ccccc2OCC)sc(c(C)c1C(OC)=O)C,0.0
2312,CO-ADD:0320116,21.06,C(=O)(c1cccs1)Nn(cnn2)c2,0.0
2313,CO-ADD:0320668,21.06,c1(N2CCC(CC2)C(=O)N\N=C\c(ccc(c3OC)OC)c3)nonc1N,0.0
2314,CO-ADD:0320054,21.06,N(C(=O)c(cc1)ccc1C(F)(F)F)C(=O)Nc(cc2)ccc2OC(F)(F)Cl,0.0
2315,CO-ADD:0320694,21.05,N1(C(C)CCCC1C)C(=O)c2ccc(cc2)NC(=O)Nc3cccc(cccc4)c34,0.0
2316,CO-ADD:0323430,21.05,N1(c2cccc(C)c2)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
2317,CO-ADD:0324176,21.05,c1(NC(CSc2nnnn2c3ccc(cc3)Cl)=O)sc(c(C)c1C(OCC)=O)c4ccccc4,0.0
2318,CO-ADD:0319751,21.05,C12(C(=O)Nc(ccc(C)c3Br)c13)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)F)c24,0.0
2319,CO-ADD:0323454,21.05,C(=O)(c1cccc(OC)c1)Nc2cccc(C)n2.Cl,0.0
2320,CO-ADD:0323040,21.04,c12c(ccc(C(NC)=O)c1SCCO)C(=O)c(c3C2=O)cccc3,0.0
2321,CO-ADD:0323042,21.04,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)C1=O,0.0
2322,CO-ADD:0323769,21.04,c1(c2c(sc1NC(C)=O)CCCCC2)C(=O)Nc3c(C)cccc3C,0.0
2323,CO-ADD:0323785,21.03,S(=O)(=O)(c1ccc(cc1C)F)NC(CCC2)=N2,0.0
2324,CO-ADD:0324289,21.03,N1(CC(=O)Nc(cc2)ccc2OC(F)(F)Cl)c3c(c4C1=O)c(ccc3)ccc4,0.0
2325,CO-ADD:0324111,21.03,c1(c2c(sc1NC(C3CCCCC3)=O)CCCC2)C(=O)OC(C)C,0.0
2326,CO-ADD:0324575,21.02,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3OC)\NC(=O)c4ccc(cc4)Br)c1C,0.0
2327,CO-ADD:0323695,21.02,S(NCCN(CC)Cc1ccccc1)(=O)(=O)c2ccc(c3c2cccn3)OC,0.0
2328,CO-ADD:0324569,21.02,C12=C(CC(C)(C)CC1=O)Nc(c3C2c4cccc(Cl)c4Cl)ccc5c3ccc(n5)C,0.0
2329,CO-ADD:0324386,21.01,c1(N2)n(nc(SC)n1)C(C3=C2CC(C)(C)CC3=O)c4ccc(cc4)OC,0.0
2330,CO-ADD:0324850,21.01,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OCC)OCCOc(cc4)ccc4C)c3)\C1=N,0.0
2331,CO-ADD:0324075,21.01,P(OC(C)C)(OC(C)C)(=O)CC(=O)N(c1ccccc1)c2ccccc2,0.0
2332,CO-ADD:0324388,21.01,C1(=O)Nc(ccc(c2)C)c2Oc(cc(cc3Oc(cc4)ccc4OC)[N+](=O)[O-])c13,0.0
2333,CO-ADD:0324116,21.01,N(C(=O)c1cccs1)C(=S)Nc(cc2)ccc2C(=O)NCc(cccn3)c3,0.0
2334,CO-ADD:0324612,21.01,c1(C(F)(F)F)nnc(SCc2ccccc2Br)n1N,0.0
2335,CO-ADD:0320693,21.0,N1(CC(C)C)\C(=N\c(cc2)ccc2F)\SC(C(=O)Nc(cc3)ccc3OC(F)(F)Cl)CC1=O,0.0
2336,CO-ADD:0324840,21.0,N1(N=C(S2)CCCCCCC)C2=NC(=O)\C(=C/c3cccs3)\C1=N,0.0
2337,CO-ADD:0324897,21.0,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)NCc(cccn4)c4)n2,0.0
2338,CO-ADD:0324297,21.0,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(NCCc(ccc(c3OCC)OCC)c3)=O)n2)Cc4ccccc4Cl,0.0
2339,CO-ADD:0324305,21.0,N12C(S\C(=C\c(ccc3c4cc(OC)c(cc4OC)Cl)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
2340,CO-ADD:0324298,20.99,C(=C/c1c[nH]nc1c2ccc(cc2)F)(/C(=O)NN3c4ccc(c(C)c4)C)\C3=O,0.0
2341,CO-ADD:0323027,20.99,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)C1=O,0.0
2342,CO-ADD:0324212,20.99,c1(C(CC(N2)=O)c(ccs3)c3)c2cc(C)c(C)c1,0.0
2343,CO-ADD:0320802,20.99,C1(O)=C(c(cccn2)c2)Oc(ccc(Cl)c3)c3C1=O,0.0
2344,CO-ADD:0324554,20.99,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c5ccc(cc5)OC(F)(F)F)o4,0.0
2345,CO-ADD:0324864,20.98,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OC)OCCOc(cc4)ccc4[N+](=O)[O-])c3)\C1=N,0.0
2346,CO-ADD:0324361,20.98,c12c(CCNC1c(cc3)ccc3C(C)C)cc(c(OCC)c2)OCC.Cl,0.0
2347,CO-ADD:0323621,20.98,C(NCC(C1)(C2)CC(C3)CC1CC23)(NC(CCc4ccccc4)=O)(C(F)(F)F)C(F)(F)F,0.0
2348,CO-ADD:0323586,20.98,c(CN(c1ccccc1)C(=O)c(cc2)ccc2C(C)(C)C)(c(C)[nH]c3C(OCC)=O)c3C,0.0
2349,CO-ADD:0319780,20.98,N1(CCc(cccc2)c12)C(=O)COc3ccc(cc3Br)Cl,0.0
2350,CO-ADD:0320087,20.98,c12c(CCNC1c3ccc(c(F)c3)F)cc(c(OCC)c2)OCC,0.0
2351,CO-ADD:0320671,20.97,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c3ccccc3Cl)c2C,0.0
2352,CO-ADD:0324268,20.97,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCN(CC3)CCN3C(c4ccccc4)=O,0.0
2353,CO-ADD:0320787,20.96,N1(c2ccc(cc2)OCc3ccc(cc3Cl)Cl)CC(CC1=O)C(O)=O,0.0
2354,CO-ADD:0324183,20.96,[nH](c(ccc(c1)OCc2ccccc2)c1c3CCNC(=O)c4ccccc4OC)c3C,0.0
2355,CO-ADD:0324247,20.96,c12c(CCNC1c3ccccc3F)cc(c(OC)c2)OCC,0.0
2356,CO-ADD:0320632,20.96,C12(N(C)N=CN1C(=O)c3ccc(cc3)OC)SC(=NN2c4ccc(cc4)Br)C(C)=O,0.0
2357,CO-ADD:0319793,20.96,c1(NC(=O)C(C)Oc(ccc(c2C)C)c2)sc(c(C)c1C(OCC)=O)C,0.0
2358,CO-ADD:0324216,20.96,C1(C(OCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC)Br)=O,0.0
2359,CO-ADD:0320999,20.95,N1(c2ccccc2F)C(=O)NC(C([S+](C)C)=C1[O-])=O,0.0
2360,CO-ADD:0319280,20.95,c1(ccccc1Cl)C(NCCOc(cc2)ccc2OC)=O,0.0
2361,CO-ADD:0324652,20.95,c1(NC(CSc2nc(C)c(c3c2C#N)CCCC3)=O)nnc(CC)s1.c4(NC(CSc5nc(CCCC6)c6c(C)c5C#N)=O)nnc(CC)s4,0.0
2362,CO-ADD:0324716,20.95,C(F)(F)(C(F)F)Oc(cccc1C(=O)NC(=O)Nc2cc(on2)C)c1,0.0
2363,CO-ADD:0321448,20.95,c1(c(C)ccc(nsn2)c12)S(NCCC(CC(CC3C4)CC45)(C5)C3)(=O)=O,0.0
2364,CO-ADD:0323558,20.95,n1(C2CCCC2)nnnc1S,0.0
2365,CO-ADD:0323328,20.95,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccccc4)c5ccc(cc5)F,0.0
2366,CO-ADD:0324492,20.95,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3F,0.0
2367,CO-ADD:0323957,20.94,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4cc(C)ccc4OC,0.0
2368,CO-ADD:0323477,20.94,C(NCC(C1)(CC(CC12)CC3C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c(cccn4)c4,0.0
2369,CO-ADD:0321071,20.94,C(C(OC)=O)(=CN(CCOC(C1)(C2)CC(C3)CC1CC23)C=C4C(OC)=O)C4c5ccccc5OCCCC,0.0
2370,CO-ADD:0323994,20.94,S(=O)(=O)(c1ccc(cc1)OC)NCC(C2)(CC(CC23)CC4C3)C4,0.0
2371,CO-ADD:0324756,20.94,n1c(N(C)C)nc(nc1N(C)C)OC(C=CC(N2CCC)=O)=N2,0.0
2372,CO-ADD:0324036,20.94,n1c(O)cc(nc1SCC(=O)Nc(cc2)ccc2OC)CCC,0.0
2373,CO-ADD:0323340,20.93,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)F)n1Cc5ccccc5,0.0
2374,CO-ADD:0323516,20.93,n1(c2c(nc1)cccc2)C(=O)c3ccc(c(OC)c3)OCc(cc4)ccc4Cl,0.0
2375,CO-ADD:0324414,20.93,c1(nonc1NCn2c(C)cc(C)n2)\C(\N)=N\OCc3c(cccc3Cl)F,0.0
2376,CO-ADD:0324453,20.92,S(=O)(=O)(c1ccc(cc1)OC)NC(CC2(C)C)CC(N2)(C)C,0.0
2377,CO-ADD:0324694,20.92,N1(CCCCCC(=O)OC2CSCC2NC(c3ccccc3)=O)C(=O)c(c4C1=O)cccc4,0.0
2378,CO-ADD:0324244,20.92,c1(C(NCCC(CC(CC2C3)CC34)(C4)C2)=O)c(OC)cc(c5c1)cccc5,0.0
2379,CO-ADD:0321041,20.92,n1c(C)scc1CSC(N(CC)CC)=S,0.0
2380,CO-ADD:0323157,20.92,C12N(CCc(cc(OCC)c(OCC)c3)c13)C(=O)COc(cccc4)c24,0.0
2381,CO-ADD:0323181,20.91,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(c(OCC)c5)O,0.0
2382,CO-ADD:0319939,20.91,c1(ccccc1NC(=O)c(cc2)ccc2C(=O)c3cc(OC)cc(OC)c3)C(N)=O,0.0
2383,CO-ADD:0323606,20.91,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(F)c2)NC3=C1C(=O)NC(N3CCc(ccc(c4OCC)OCC)c4)=O,0.0
2384,CO-ADD:0320803,20.91,[N+](=O)([O-])c(cc(Sc1ccccc1)cc2NC3OCC(C(O)C3O)O)c2,0.0
2385,CO-ADD:0320714,20.91,S(=O)(=O)(c1cccc2c1cccc2S(=O)(=O)N3CCCC(C)C3C)N4CCCC(C)C4C,0.0
2386,CO-ADD:0323953,20.9,N1(CC(NCCc(c2C)c(ccc(c3Cl)Cl)c3[nH]2)=O)C(=O)c4c(C(C)=N1)cccc4,0.0
2387,CO-ADD:0324913,20.89,C1(C#N)=C(N)NC(C(C(OCC)=O)C12CCCCC2)=S,0.0
2388,CO-ADD:0323197,20.89,N1(c2cccc(Cl)c2)C(=O)CC(N(CC(CC3CC4CC5C3)(C5)C4)C(=O)\C=C\C(O)=O)C1=O,0.0
2389,CO-ADD:0323518,20.89,n1(C(=O)COc2cccc(Br)c2)c3c(nc1)cccc3,0.0
2390,CO-ADD:0324911,20.89,C(=S)(NC(=O)C(C12CCCCC1)C#N)C2C(N)=O,0.0
2391,CO-ADD:0226952,20.88,C1(=NNC2=S)N2c(c3C(=O)N1CC4CCCO4)ccs3,0.0
2392,CO-ADD:0225781,20.88,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4ccc(c(OC)c4)OC)=O,0.0
2393,CO-ADD:0225748,20.88,C1(=N2)N(C=CN=C1Sc3cccc(C)c3)C(N2CC(=O)Nc4c(OC)cc(c(Cl)c4)OC)=O,0.0
2394,CO-ADD:0226964,20.88,c12n(c(nn1)SCc(cccc3C(F)(F)F)c3)c(c4C(=O)N2Cc(cc5)ccc5F)ccs4,0.0
2395,CO-ADD:0225224,20.88,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc4cccc(F)c4)C2=O,0.0
2396,CO-ADD:0225865,20.88,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)NCc(cc4)ccc4OC)=O,0.0
2397,CO-ADD:0221269,20.88,c1(C(NCCN(CC)CC)=O)c(C)oc(cc2c3oc(c2C(NCCN(CC)CC)=O)C)c1c3.Cl.Cl,0.0
2398,CO-ADD:0225189,20.87,n1(c(ccc2C(=O)NCc3ccccc3)nnc1SCC(=O)Nc4ccccc4Br)c2,0.0
2399,CO-ADD:0225197,20.87,c12n(C=CN(Cc(cc3)ccc3F)C1=O)c(nn2)SCC(NCCCOC)=O,0.0
2400,CO-ADD:0225797,20.87,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc(ccc(c4F)C)c4)=O,0.0
2401,CO-ADD:0225429,20.86,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5ccc(c(OC)c5)OC)=O,0.0
2402,CO-ADD:0225437,20.86,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5cccc(C)c5C)=O,0.0
2403,CO-ADD:0226902,20.86,n(c1c(cccc1)nc2SCC(=O)Nc3ccccc3Br)(c(C(C)C)nn4)c24,0.0
2404,CO-ADD:0221505,20.86,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)C(=O)c(ccc(c2[N+](=O)[O-])Cl)c2,0.0
2405,CO-ADD:0221057,20.85,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2C,0.0
2406,CO-ADD:0221748,20.85,N1(CN(C)C2CCCCC2)c(cccc3)c3\C(=N\c(cc4)ccc4CC)\C1=O,0.0
2407,CO-ADD:0219513,20.85,C(=O)(Oc(cc1)ccc1\C=N\N=C\c(cc2)ccc2OC(=O)\C=C\c(ccc(c3OC)OC)c3)\C=C\c(ccc(c4OC)OC)c4,0.0
2408,CO-ADD:0219057,20.85,C(=O)(C\C(\C)=N\NC(=O)c1ccc(c(OC)c1)OC)Nc2cccc(Cl)c2C,0.0
2409,CO-ADD:0221795,20.85,C(=N/N=C\c(cccc1[N+](=O)[O-])c1)(/Sc(c23)cccc2)\N3CCCS(=O)(=O)[O-].[Na+],0.0
2410,CO-ADD:0226126,20.85,S(=O)(=O)(N(Cc1cc(C)ccc1C)c2ccc(c(F)c2)F)c3cccn(cnn4)c34,0.0
2411,CO-ADD:0225751,20.85,C1(=N2)N(C=CN=C1Sc3cccc(C)c3)C(N2CC(=O)N(CC4)CCN4c5ccc(cc5)OC)=O,0.0
2412,CO-ADD:0225393,20.84,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)NCc(cc5)ccc5OC,0.0
2413,CO-ADD:0226914,20.84,n(c1c(cccc1)nc2SCC(=O)Nc3ccc(cc3F)Br)(c(C(C)C)nn4)c24,0.0
2414,CO-ADD:0225770,20.84,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc4ccc(cc4C)F)=O,0.0
2415,CO-ADD:0225790,20.84,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc(cc4)ccc4F)=O,0.0
2416,CO-ADD:0225368,20.84,c12n(ccn(nc(c3ccccc3)c4)c14)c(nn2)SCC(=O)Nc5cccc(C)c5C,0.0
2417,CO-ADD:0225761,20.84,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc4c(OC)ccc(OC)c4)=O,0.0
2418,CO-ADD:0221509,20.84,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc3ccccc3Cl,0.0
2419,CO-ADD:0222004,20.83,N1(c2ccc(cc2)OCCOCCOc(cc3)ccc3N4C(=O)c(c5C4=O)ccc(C(=O)c(cc6)ccc6C(O)=O)c5)C(=O)c(c7C1=O)ccc(C(=O)c(cc8)ccc8C(O)=O)c7,0.0
2420,CO-ADD:0219732,20.83,N1(c2ccc(cc2)N=Nc3ccccc3)C(=O)c(c4C1=O)ccc(C(O)=O)c4,0.0
2421,CO-ADD:0226975,20.83,N1(c(ccs2)c2C(N3CC(C)C)=O)C3=NN(CC(=O)NC(C)(C)C)C1=O,0.0
2422,CO-ADD:0225436,20.82,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5cc(C)ccc5C)=O,0.0
2423,CO-ADD:0226928,20.82,C1(=N2)N(c3c(cccc3)N=C1Sc4ccccc4)C(N2CC(=O)Nc(ccc(c5C)C)c5)=O,0.0
2424,CO-ADD:0221839,20.82,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCc3ccccc3)c4ccccc4,0.0
2425,CO-ADD:0226929,20.82,C1(=N2)N(c3c(cccc3)N=C1Sc4cccc(C)c4)C(N2CC(=O)Nc(cc(C)cc5C)c5)=O,0.0
2426,CO-ADD:0226937,20.82,C1(=N2)N(c3c(cccc3)N=C1Sc4cccc(OC)c4)C(N2CC(=O)Nc(cc(C)cc5C)c5)=O,0.0
2427,CO-ADD:0226198,20.82,N12C(C=CC(=C1)S(=O)(=O)N3CCCCCC3)=NN(Cc(cccc4C#N)c4)C2=O,0.0
2428,CO-ADD:0226147,20.81,S(=O)(=O)(N(Cc1ccccc1)c2cc(C)cc(C)c2)c3cccn(c(nn4)C)c34,0.0
2429,CO-ADD:0226155,20.81,S(=O)(=O)(N(Cc(cc1)ccc1F)c2cc(C)cc(C)c2)c3cccn(c(nn4)C)c34,0.0
2430,CO-ADD:0137257,20.81,[C@@]12(O)C(C)(C)C(=C(C)[C@@H](O)C1)[C@@H](OC(C)=O)C([C@](C)([C@@H](O)C[C@@]3([C@@]4(OC(C)=O)CO3)[H])[C@@]4([C@@H]2OC(=O)c5ccccc5)[H])=O,0.0
2431,CO-ADD:0137264,20.8,c1c(O)c(c2c3c(c(O)c(C(=O)C(C)C(C)O4)c4c3)c(O)cc2O)c5c(c(O)c6c(OC(C)C(C)C6=O)c5)c1O,0.0
2432,CO-ADD:0137204,20.8,n1cnc(c(c(C#N)c2)c1N)n2C3C(O)C(O)C(CO)O3,0.0
2433,CO-ADD:0137222,20.8,O=C(C(C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@H](C)C=C(/C)[C@@H](OC(N)=O)[C@H](OC)C=C/C=C(C)/C(=O)N1[H])=C(OC)C2=O)C1=C2,0.0
2434,CO-ADD:0137247,20.8,O=C1CC(C2(C3C(OC4)=O)C14)C(C(C)(C)C2)CC3,0.0
2435,CO-ADD:0136379,20.8,s1c(SCCNc(cccc2)c2)nc(ccc3)c1c3,0.0
2436,CO-ADD:0135697,20.8,n12c(cc(C)cc1C)nnc2C,0.0
2437,CO-ADD:0135578,20.8,C(NC#N)(=N)c(cccc1)c1,0.0
2438,CO-ADD:0136519,20.8,c1(C)c(CCc2ccccc2)c(O)n3c(ccn3)n1,0.0
2439,CO-ADD:0136639,20.8,O=C(C=C(c(ccc(O)c1)c1)O2)c(c(O)c(O)c3O)c2c3O,0.0
2440,CO-ADD:0135862,20.79,c1c(C(NCCC)=O)ccc(S(=O)(=O)N)c1,0.0
2441,CO-ADD:0135743,20.79,n1c(c(ccc1)cn2)n2c(ccc3)cc3,0.0
2442,CO-ADD:0135775,20.78,ClC([C@H](O)[C@@H]([C@@](C(O)=O)(N)[H])O1)=N1,0.0
2443,CO-ADD:0135783,20.78,c1cc(O)c(nc(C)c(CO)c2)c2c1,0.0
2444,CO-ADD:0135895,20.78,s1c(c(ccc2)nc1c(c(O)cc(O)c3)c3)c2,0.0
2445,CO-ADD:0136610,20.78,c1(C)ccc(C(C)C)cc1NC(Nc(ccc(OCC)c2)c2)=O,0.0
2446,CO-ADD:0136771,20.78,O(CCN1C(=NC(N(c2ccccc2)C3=O)=O)C3=Nc(c1c4)ccc4)C,0.0
2447,CO-ADD:0136811,20.77,c1ccc(N2C(N([H])C(=O)C(C(O)=O)=N2)=O)c(C(=NN([H])C(=O)N3[H])C3=O)c1,0.0
2448,CO-ADD:0136739,20.77,n1(CCOC(C)=O)c(C=[N+](C2CCCCC2)/[O-])ncc1[N+](=O)[O-],0.0
2449,CO-ADD:0135621,20.77,N1(CC)CCc(cccc2)c2C1,0.0
2450,CO-ADD:0137150,20.77,O=C1C(=C/c2ccccc2)C3C4C(C(c5c6cccc5)(CC7)C(CC4C(C8)=CCO3)N78)N16,0.0
2451,CO-ADD:0135710,20.77,n1cccc(CCC(O)=O)c1,0.0
2452,CO-ADD:0135638,20.77,S=C1C=C(C)N([H])C(=S)N1[H],0.0
2453,CO-ADD:0136214,20.77,Clc1ccc(c(Nc2ccc(O)cc2)cc3)c(c1)n3,0.0
2454,CO-ADD:0136924,20.76,N1(CC(O)COc(c(cccc2)c2c3)cc3)CCN(CC1)c(ccc(c4)Cl)c4,0.0
2455,CO-ADD:0136931,20.76,c1c(c2c(C(OCC)=O)nns2)ccc(c3snnc3C(OCC)=O)c1,0.0
2456,CO-ADD:0136987,20.75,c1ccc(c(NC(c2ncccc2)=N)nc(c3ncccc3)c4)c4c1,0.0
2457,CO-ADD:0136010,20.75,C(/NO)(c(cccc1)c1)=N/Cc(cccc2)c2,0.0
2458,CO-ADD:0136933,20.75,O(C(CNC(=O)OCc(cccc1)c1)=O)CCS(=O)(=O)c(ccc(C)c2)c2,0.0
2459,CO-ADD:0136861,20.75,C1CN(c2nc(N)c(Br)c(Cl)n2)CCN1C,0.0
2460,CO-ADD:0136989,20.74,[H]N1C(C(=C(O)c(ccc2)c1c2)N=Nc(c(S(=O)(=O)N(C)C)cc(C)c3)c3)=O,0.0
2461,CO-ADD:0135944,20.74,n1cc2c(c(c(cccc3)c34)ccc2)c4c1,0.0
2462,CO-ADD:0136026,20.74,ClC1=C(C(=NN)C(=C1Cl)Cl)Cl,0.0
2463,CO-ADD:0136059,20.74,n1c(c(ccc2)ccc1)c2NC(=O)C=CC(O)=O,0.0
2464,CO-ADD:0136203,20.74,c1c(NC(=O)C(=O)Nc(c(C)ccc2)c2)c(C)ccc1,0.0
2465,CO-ADD:0136767,20.74,O(CCC)c1ccc(c2scc(c3ccc([N+](=O)[O-])cc3)n2)cc1,0.0
2466,CO-ADD:0136927,20.74,n1c(c(c(cc2CN3CCN(CC3)c(cccc4)c4)Br)ccc1)c2O,0.0
2467,CO-ADD:0136800,20.74,n1cccc(C(=O)OCC(CO)O)c1Nc(cccc2Cl)c2C,0.0
2468,CO-ADD:0135968,20.73,S1C(C)(C)C(C(O)=O)N(C=O)C1(C)C,0.0
2469,CO-ADD:0135761,20.73,[H]N1c(c(ccc2)Sc(c3)c1ccn3)c2,0.0
2470,CO-ADD:0136569,20.73,c1cc(nc(NS(=O)(=O)c2ccc(N)cc2)c(C)n3)c3cc1,0.0
2471,CO-ADD:0136689,20.73,Clc(c(ccc1NC(Nc2ccc([N+](=O)[O-])cn2)=O)Cl)c1,0.0
2472,CO-ADD:0136586,20.72,Clc(ccc1)c(C=C/C(Nc(cc(c(N)cc2C)c(c3)n2)c3)=O)c1,0.0
2473,CO-ADD:0136563,20.72,c1c(NS(=O)(=O)c(ccc(N)c2)c2)ccc(C(C)(C)C)c1,0.0
2474,CO-ADD:0136752,20.71,O(C(=O)Nc(c(OC)cc([N+](=O)[O-])c1)c1)c(ccc(OC)c2)c2,0.0
2475,CO-ADD:0136944,20.71,Clc(ccc(c1cnc(c(NC(C(F)(F)F)=O)n2)c(n2C)n1)c3)c3,0.0
2476,CO-ADD:0136896,20.71,Clc(cc(OC)c(NC(=O)c1c(O)cc(cccc2)c2c1)c3)c3OC,0.0
2477,CO-ADD:0136079,20.7,O=C(C=C(OC)C=C1CC(C(O)=O)=O)O1,0.0
2478,CO-ADD:0136144,20.7,c1ccc(n2c(c(C#N)nn2)nc3N)c3c1Cl,0.0
2479,CO-ADD:0136595,20.7,c1c([s+]c2c(cc(C)c(N)c2)n3)c3ccc1N(C)C.[Cl-],0.0
2480,CO-ADD:0136436,20.69,c1(OC(C)=O)c2c(c(OC(C)=O)cc1)CC(C)=C(C)C2,0.0
2481,CO-ADD:0136620,20.69,c1(N)ccc(NC(=O)c2ccc(C(Nc3ccc(N)cc3)=O)cc2)cc1,0.0
2482,CO-ADD:0136015,20.69,n1cccc(C)c1NC(=O)c(csn2)n2,0.0
2483,CO-ADD:0136180,20.69,O=C1c2c(CC(C(OCC)=O)C1)cc(OC)c(OC)c2,0.0
2484,CO-ADD:0136912,20.69,N1(CC(O)COc(c(C)ccc2)c2)CCN(CC1)c(ccc(c3)Cl)c3,0.0
2485,CO-ADD:0136296,20.68,C(Nc1ccc(c2ccccc2)cc1)(C=C/C(O)=O)=O,0.0
2486,CO-ADD:0136105,20.68,O=C1NC=CC=C1OC(Nc(ccc(c2)F)c2)=O,0.0
2487,CO-ADD:0136185,20.68,c1ccc(N=Cc2c(cc(C)cc2)O3)c3c1,0.0
2488,CO-ADD:0136361,20.68,O=C(c1c(cc(OC)cc1OC)O2)C=C2c(c3)cccn3,0.0
2489,CO-ADD:0136461,20.68,C1(C)(C)CC(Nc2ccc(OC)cc2)=CC(=S)N1[H],0.0
2490,CO-ADD:0136525,20.68,[O-][n+]1c(c(ccc2)[n+]([O-])c(Cc(cccc3)c3)c1C)c2,0.0
2491,CO-ADD:0136753,20.68,O(C(=O)Nc(c(OC)cc([N+](=O)[O-])c1)c1)c(ccc(NC(C)=O)c2)c2,0.0
2492,CO-ADD:0136873,20.67,O1C(C(NC(=O)c(c2)ccc(c2CCC3(C)C)O3)=C(O)c(ccc4O)c1c4C)=O,0.0
2493,CO-ADD:0136810,20.67,n1cnc2c(n(cc2C(C(O)C(O)C3CO)O3)[H])c1N.Cl,0.0
2494,CO-ADD:0136194,20.67,C1N=C(SC(C(OC)=O)=CC2=O)N2C1,0.0
2495,CO-ADD:0136382,20.67,O(CCOc(cccc1)c1)c(ccc(C(O)=O)c2)c2,0.0
2496,CO-ADD:0136842,20.67,c1ccc(sc(NC(Nc2c(cc([N+](=O)[O-])cc2)Cl)=O)n3)c3c1,0.0
2497,CO-ADD:0136882,20.66,n1c(C)c(C(OCC)=O)c(c2ccc(OC)cc2)c(C(OCC)=O)c1C,0.0
2498,CO-ADD:0137010,20.66,c1cc(c2ccccc2)c(NC(C(Nc(c(c3ccccc3)ccc4)c4)=O)=O)cc1,0.0
2499,CO-ADD:0135899,20.66,O=C1N(C(CC(OC)=O)=C(C(OC)=O)N1[H])[H],0.0
2500,CO-ADD:0135979,20.66,c1c(C(CNC(C)=O)O)ccc([N+](=O)[O-])c1,0.0
2501,CO-ADD:0136322,20.66,O=C(N(C)C(C(NC(OCC)=O)=C1Cl)=O)N1C,0.0
2502,CO-ADD:0137206,20.66,n1ccc2c(c1)c(C)c(c3c(cccc3)n4[H])c4c2C,0.0
2503,CO-ADD:0135699,20.66,s1ccnc1NC(=O)C(=C(/C(O)=O)[H])[H],0.0
2504,CO-ADD:0135844,20.66,C1C(=Cc2ccc(OC)cc2)C(=O)OC1,0.0
2505,CO-ADD:0136012,20.66,n1cccc([N+](=O)[O-])c1Oc(c2)cccn2,0.0
2506,CO-ADD:0136110,20.66,Fc1cc(F)c(n([H])c2c3CC(N(C)C)CC2)c3c1,0.0
2507,CO-ADD:0135627,20.65,n1c(N)sc(CC(C)C)n1,0.0
2508,CO-ADD:0137124,20.65,n1cnc(nc[nH]2)c2c1NC(C(O)C(O)C(NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C)C3C)O3,0.0
2509,CO-ADD:0135580,20.65,n1c(N)c(C#N)cn1C(C)C,0.0
2510,CO-ADD:0135829,20.65,O=C1c2c(cccc2)C(=O)N1c(nn([H])c3)n3,0.0
2511,CO-ADD:0135861,20.65,C1(C)(C)c(c(cc(C)c2C(C)=O)CCC1)c2,0.0
2512,CO-ADD:0135789,20.65,c1n2c(nnc2C(O)C)cc(C)c1,0.0
2513,CO-ADD:0135957,20.64,BrC(=C1C)C(N(C(C)C)C(=O)N1[H])=O,0.0
2514,CO-ADD:0136400,20.64,N(Cc(ccn1)cc1)(Nc(ccc2)cc2)c(cccc3)c3,0.0
2515,CO-ADD:0136552,20.64,C1c(cccc2)c2C3(CC(=C)C(=O)O3)c(cccc4)c4C1,0.0
2516,CO-ADD:0135718,20.64,O1CCCC1CNCCCC,0.0
2517,CO-ADD:0137277,20.63,C1(O)CN(CC[C@@H]2O)[C@H]2C(O)[C@@H]1O,0.0
2518,CO-ADD:0136561,20.63,O(C(=O)c1ccccc1C(OC2CCCCC2)=O)C(CCC3)CC3,0.0
2519,CO-ADD:0135913,20.63,n1cnc(c(cn2)c1N(C)c(c3)cccn3)n2[H],0.0
2520,CO-ADD:0136001,20.63,n1c(N)ccc(c1N)N=Nc(ccc(O)c2)c2,0.0
2521,CO-ADD:0136036,20.63,O=C1C(N=O)=C(NC)N=C(SC)N1C,0.0
2522,CO-ADD:0136886,20.62,Fc(ccc(Nc(c([N+](=O)[O-])c(C)nc1Nc(ccc(c2)F)c2)n1)c3)c3,0.0
2523,CO-ADD:0136918,20.62,c1ccc(C(O)(c(c(CN(C)C)cc(C(F)(F)F)c2)c2)c(cccc3)c3)cc1,0.0
2524,CO-ADD:0135624,20.62,S1C(=O)N(C)C(CC2)=C1C2,0.0
2525,CO-ADD:0135648,20.62,C1(N([H])CN(CCO)CN1[H])=O,0.0
2526,CO-ADD:0137017,20.62,n1c(N)nc(CC)c(c2cc([N+](=O)[O-])c(N(Cc3ccccc3)C)cc2)c1N,0.0
2527,CO-ADD:0135929,20.61,n1c(N)nc(Nc(ccc(OC)c2)c2)cc1C,0.0
2528,CO-ADD:0136033,20.61,c1cc2c(N(C(=S)c(cccc3)c23)[H])cc1,0.0
2529,CO-ADD:0135802,20.61,N(/C#N)=C(NCC=C)/SC,0.0
2530,CO-ADD:0136381,20.61,c1c(C=NN=CC=Cc(c([N+](=O)[O-])ccc2)c2)c(O)ccc1,0.0
2531,CO-ADD:0137105,20.61,[H]N(C(=O)N(CNc1ccc(C(NCCN(CC)CC)=O)cc1)C2=O)C2(c3ccccc3)c4ccccc4,0.0
2532,CO-ADD:0136109,20.61,[H]N1CCCc(oc([N+](=O)[O-])c2C)c2C1=O,0.0
2533,CO-ADD:0136384,20.61,O(CCNC(CC)CC)C(=O)c(ccc([N+](=O)[O-])c1)c1,0.0
2534,CO-ADD:0246109,20.61,c1(nnc(CCS(=O)(=O)c2ccc(cc2)Cl)s1)NC(=O)c3ccc(cc3)F,0.0
2535,CO-ADD:0241572,20.6,c1(c2ccccc2Cl)oc(c3n1)ccc(c3)NC(=O)c4ccccc4F,0.0
2536,CO-ADD:0245843,20.6,N(C)(C1C2)C(CC1)CC2NC(CC(CC3)N(C34)C)C4.C(O)(=O)C(O)=O.C(O)(=O)C(O)=O.C(O)(=O)C(O)=O,0.0
2537,CO-ADD:0242011,20.6,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)Nc2nnc(CC)s2)c1,0.0
2538,CO-ADD:0242004,20.59,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)Nc2cc(C)ccn2)c1,0.0
2539,CO-ADD:0246037,20.59,N1\C(=N/N=C/c2ccccc2F)\SC(C)C1=O,0.0
2540,CO-ADD:0245999,20.59,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccccc5OC(C)C,0.0
2541,CO-ADD:0241728,20.59,C1(C#N)(C#N)C(c2ccc(cc2F)F)C(C3)C(C(C#N)=C1N)=CCN3C,0.0
2542,CO-ADD:0241264,20.58,C(c1ccccc1)(=O)CN(CC2)CCO2.Cl,0.0
2543,CO-ADD:0245968,20.58,C(=O)(Nc(cc1)ccc1OCCCC)C2CCCCC2C(O)=O,0.0
2544,CO-ADD:0246086,20.58,[N+](=O)([O-])c(cc(Oc(cc1)ccc1CCC(=O)N(CC2)CCN2C)cc3[N+](=O)[O-])c3,0.0
2545,CO-ADD:0244824,20.58,C(N12)(C(N3C1=S)N4CN(C(C)(C)C)C3)N(CN(C(C)(C)C)C2)C4=O,0.0
2546,CO-ADD:0244868,20.58,[C@@]([H])(N(CC)C(=O)N1CC)([C@@]1([H])N2)N3C(S[C@]4([C@@H](c(c5)cccc5[N+](=O)[O-])CN(C)[C@]4(C6=O)c(cc7)c(cc7)N6)C3=O)=N2,0.0
2547,CO-ADD:0242768,20.58,N1(c2ccccc2)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3F,0.0
2548,CO-ADD:0242769,20.58,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3F,0.0
2549,CO-ADD:0242743,20.58,C(=O)(C(CCCCNC(OCc1ccccc1)=O)NC(OCc2ccccc2)=O)Nc3cc(C)ccc3C,0.0
2550,CO-ADD:0242649,20.58,N1(c2ccccc2OCC)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
2551,CO-ADD:0245898,20.57,C(F)(F)(C(F)(F)C(F)(F)F)C(F)(F)C(=O)N\N=C(/C1)\c(cccc2)c2\C(=N/O)\C1,0.0
2552,CO-ADD:0241817,20.57,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(c(O)ccc4[N+](=O)[O-])c4)nc(Nc(cc5)ccc5C)n1,0.0
2553,CO-ADD:0245921,20.57,N1(c2c(cccc2)CCc(cccc3)c13)C(=O)c4cccs4,0.0
2554,CO-ADD:0245940,20.57,c1(Br)c2c(cccc2)ccc1OC(CC)C(=O)N\N=C\c3ccc(C)o3,0.0
2555,CO-ADD:0246132,20.57,[N+](=O)([O-])c1ccc(cc1)COC(=O)NCc2ccco2,0.0
2556,CO-ADD:0245924,20.56,N(/N(Cc1ccccc1)Cc2ccccc2)=C\C(\Br)=C/c3ccccc3,0.0
2557,CO-ADD:0241167,20.56,C(=C/c(cc1)ccc1F)(/NC(C)=O)\C(=O)NC(Cc(c2c([nH]3)cccc2)c3)C(O)=O,0.0
2558,CO-ADD:0245579,20.56,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(cc3)ccc3OCCCCC)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
2559,CO-ADD:0241313,20.56,N1(c2cccc(I)c2)C(=O)c(c(c3C(=O)c(cc4)ccc4C(O)=O)C1=O)cc(c3C(N5c6cccc(I)c6)=O)C5=O,0.0
2560,CO-ADD:0241164,20.56,S(=O)(=O)(Oc(cc1)ccc1C)C(c2ccccc2F)C(F)(F)[N+](=O)[O-],0.0
2561,CO-ADD:0242173,20.55,C(CN(c1cccc(F)c1)CN2c3ccccc3[N+](=O)[O-])([N+](=O)[O-])=N2,0.0
2562,CO-ADD:0242907,20.55,C(=N/N=C(\C1)/CCC1)(/SC=C2c3ccccc3)\N2,0.0
2563,CO-ADD:0242141,20.55,n(c1C)(nnc1C(=O)N\N=C\c2ccccc2F)c3nonc3N,0.0
2564,CO-ADD:0241239,20.55,S(NCCCCc1ccccc1)(=O)(=O)c2c(C(C)C)cc(cc2C(C)C)C(C)C,0.0
2565,CO-ADD:0242860,20.54,C(C#N)(C(c1ccc(cc1)Br)C2=C(N3c4ccc(cn4)Br)CCCC2=O)=C3N,0.0
2566,CO-ADD:0246196,20.54,C1(c2ccccc2)(c3ccccc3)OC(C(Cl)(Cl)C1)O,0.0
2567,CO-ADD:0246189,20.54,c1(n(CC=C)c2c(cccc2)n1)c3nonc3N,0.0
2568,CO-ADD:0242723,20.54,C(=C\c(ccc(c1OC)OC)c1)(/c2c3cc(C)cc2)\c(cc(cccc4)c4n5)c35,0.0
2569,CO-ADD:0241174,20.54,[N+](=O)([O-])c1ccc(cc1)Sc(cc2)ccc2NC(=O)c3cccs3,0.0
2570,CO-ADD:0241610,20.54,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(cccn4)c4,0.0
2571,CO-ADD:0241757,20.54,C12(c3c(NC1=O)cccc3)C(C(=O)OCc4ccccc4)=C(C)OC(N)=C2C(OCC)=O,0.0
2572,CO-ADD:0245647,20.54,S(=O)(=O)(c(ccc(c12)C(=O)c3c(cccc3)C1=O)c2)n4c(C)cc(C)n4,0.0
2573,CO-ADD:0241648,20.54,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc(cc4)ccc4C#N,0.0
2574,CO-ADD:0242325,20.53,c1(c2ccco2)nc(n3c1\N=C\c(cc4)ccc4C(OC)=O)cccc3,0.0
2575,CO-ADD:0241294,20.53,C1(=S)N(c2ccc(cc2)OC)C3(\C(=N\c4cccc(C)c4)\N1)CCCC3,0.0
2576,CO-ADD:0242888,20.53,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2Cl)C(=O)NCC3CCCO3,0.0
2577,CO-ADD:0245421,20.53,c1(N2CCCCC2)nc(N\N=C\c(cc3)ccc3F)nc(Nc(cc4)ccc4F)n1.Cl,0.0
2578,CO-ADD:0241155,20.52,c1(ccccc1OCCCC)C(NCCCCCC(NN)=O)=O,0.0
2579,CO-ADD:0241550,20.52,N1(c(cc2)ccc2C(=O)N3CCC(CC3)C)C(=O)c(c4C1=O)cccc4,0.0
2580,CO-ADD:0245795,20.51,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C3CCCCC3)c1CN4CCCC4,0.0
2581,CO-ADD:0241325,20.51,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(c(OC)c4)OC,0.0
2582,CO-ADD:0241609,20.51,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)Cl,0.0
2583,CO-ADD:0241700,20.5,n1c(ccc(C#N)c1SCc2ccccc2C)c3cccs3,0.0
2584,CO-ADD:0241079,20.5,n(c(NCCCCCC(O)=O)cc(n1)Cl)c1N,0.0
2585,CO-ADD:0241645,20.5,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c(cc4)ccc4Cl)n1,0.0
2586,CO-ADD:0242613,20.5,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C/c(ccc4c5ccc(cc5)Br)o4)n1,0.0
2587,CO-ADD:0241118,20.5,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3ccccc3OC,0.0
2588,CO-ADD:0241672,20.49,c1(C#N)c(SCc(cc2)ccc2C)nsc1SCc(cc3)ccc3C,0.0
2590,CO-ADD:0241631,20.49,P(O)(CCc1ccccn1)(=O)CN(CC2)CCO2,0.0
2591,CO-ADD:0244929,20.49,C1(c(cc2)ccc2)(C3(c(cc4)ccc4)NC(=S)N1)NC(=S)N3,0.0
2592,CO-ADD:0244376,20.49,S1(=O)(=O)c(cccc2)c2C(Nc3c(Cl)ccc(Cl)c3)=N1,0.0
2593,CO-ADD:0244685,20.49,C(/C(C)=O)(\C(C)=O)=C/C(=C/N(C)C)/C#N,0.0
2594,CO-ADD:0240979,20.49,S(c1ccccc1)(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2c(OC)ccc(OC)c2,0.0
2595,CO-ADD:0244301,20.49,c1(ccccc1I)C(NCCOc(cc2)ccc2C)=O,0.0
2596,CO-ADD:0245006,20.49,[N+](=O)([O-])c1ccccc1\C=C\C(\c2ccccc2)=N\NC(=S)Nc3cccc(C)c3,0.0
2597,CO-ADD:0244217,20.48,C(C1CCCCC1)(=O)N\N=C\c(ccc(c2OC)OCC)c2,0.0
2598,CO-ADD:0245072,20.48,N1(CNc(cc2)ccc2Br)c3c(OC1=S)cccc3,0.0
2599,CO-ADD:0245095,20.48,n1(nnc(C(=O)N\N=C\c2c(cccc2Cl)Cl)c1CN(CC3)CCO3)c4nonc4N,0.0
2600,CO-ADD:0245016,20.48,c1(nncs1)NC(=O)C(C)(C)C,0.0
2601,CO-ADD:0241026,20.48,C(C#N)(C1c2ccc(cc2)Br)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
2602,CO-ADD:0241208,20.48,N(C(=O)c1ccccc1F)(C(=O)c2ccccc2F)c3n(c4ccccc4)ncc3C(OCC)=O,0.0
2603,CO-ADD:0245621,20.48,N(c1c(C)cccc1C)(C(=O)C(c(cc2)ccc2[N+](=O)[O-])N(CC3)CCO3)C(=O)c4ccc(cc4Cl)Cl,0.0
2604,CO-ADD:0245982,20.48,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3C=O)C1=O,0.0
2605,CO-ADD:0245599,20.48,c1(Sc2ccc(\C=N\c(ccc(c3s4)nc4SCC(=O)N(CC5)CCO5)c3)o2)nnnn1c6ccccc6,0.0
2606,CO-ADD:0242636,20.48,S(=O)(=O)(c1ccc(cc1)CC)NCc(cccn2)c2,0.0
2607,CO-ADD:0245326,20.48,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2cc(OC)ccc2O)n3c(cccc3)c1S(CCC)(=O)=O,0.0
2608,CO-ADD:0245311,20.48,c1(SCC(=O)N\N=C\c2ccccc2OCCCCCC)sc(c3n1)cccc3,0.0
2609,CO-ADD:0244571,20.48,c1(ccccc1\N=C\c(cc2)ccc2N(C)C)C(O)=O.Br,0.0
2610,CO-ADD:0244565,20.47,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)OC(C)(C)C,0.0
2611,CO-ADD:0241251,20.47,c1(NC(COC(=O)C(CC(C)C)NC(c2ccccc2)=O)=O)sc3c(ccc(OC)c3)n1,0.0
2612,CO-ADD:0244386,20.47,n(\N=C\c(cc(I)cc1I)c1OC)(cnn2)c2,0.0
2613,CO-ADD:0245083,20.47,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)Nc3cccc(F)c3,0.0
2614,CO-ADD:0245698,20.47,c1(NC(C2CCCCC2)=O)sc(c(C)c1C(OCC)=O)C,0.0
2615,CO-ADD:0240283,20.47,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2CC)N(CC3C)CC(N3)C,0.0
2616,CO-ADD:0241086,20.47,C(=C\c(ccc1c(cc2)ccc2[N+](=O)[O-])o1)(/C3=O)\C(=O)OC(C)(C)O3,0.0
2617,CO-ADD:0240874,20.46,n(c(c1)c2ccc1C(=O)Nc3cccc(Br)c3)c(c4ccccc4)c(n2)c5ccccc5,0.0
2618,CO-ADD:0240356,20.46,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c(ccc(c23)cccn2)c3,0.0
2619,CO-ADD:0240238,20.46,n(c(c1)c2ccc1C(=O)N(CC=C)c3ccccc3)c(c4ccccc4)c(n2)c5ccccc5,0.0
2620,CO-ADD:0240210,20.46,c(\C=C\C(=O)c1ccc(cc1Cl)Cl)(c2C)c(C)n(n2)C,0.0
2621,CO-ADD:0241414,20.46,N(C(=O)\C(\S1)=C\c2cccs2)=C1N3CCCCC3,0.0
2622,CO-ADD:0241392,20.45,n1c(c2ccccc2)csc1Nc(cc3)ccc3C,0.0
2623,CO-ADD:0245545,20.45,N1(c(ccc(c2[N+](=O)[O-])C)c2)C(=O)C3C(C1=O)C(C(=O)C34c5ccccc5)(c6ccccc6)C(=C4c7ccc(c8c7)OCO8)c9ccc(c%10c9)OCO%10,0.0
2624,CO-ADD:0242215,20.45,c1(NN=Nc(ccc(c2Cl)Cl)c2)c(C)c(c3n1C)cccc3.Cl,0.0
2625,CO-ADD:0244243,20.44,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)Cl)c1,0.0
2626,CO-ADD:0244299,20.44,N(/NC(Cc1ccccc1)=O)=C\c2ccco2,0.0
2627,CO-ADD:0245009,20.43,n1c(c(cc2)ccc2c3ccccc3)csc1Nc(cccc4C(F)(F)F)c4.Br,0.0
2628,CO-ADD:0244955,20.43,c1(c(cccc1C(O)=O)N)[N+](=O)[O-],0.0
2629,CO-ADD:0245566,20.43,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(cc3)ccc3I)n2)N(CC4)CCO4.Br,0.0
2630,CO-ADD:0241348,20.43,S(=O)(=O)(c1ccc(cc1)C)NNC(CSC(NCCOc(cc2)ccc2C)=S)=O,0.0
2631,CO-ADD:0242230,20.43,c1(O)c(OCC)cc(cc1I)\C=N\NC(=O)c(cccn2)c2,0.0
2632,CO-ADD:0240738,20.42,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc2sccn2,0.0
2633,CO-ADD:0240722,20.42,P(c1ccccc1)(c2ccccc2)(=S)Oc(cc3)ccc3[N+](=O)[O-],0.0
2634,CO-ADD:0240353,20.42,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NC(C)C(=O)N\N=C\c(cc2)ccc2O,0.0
2635,CO-ADD:0244522,20.42,C(=O)(c1cccc(c1)NC(Cc2ccccc2)=O)N\N=C(/C)\C,0.0
2636,CO-ADD:0240450,20.42,c1(c(cccc1)c(c23)cccc2)C3C(=O)N\N=C\c(cc(OCO4)c4c5)c5Br,0.0
2637,CO-ADD:0240286,20.41,n1c(c2ccccc2)csc1Nc(cc3)ccc3F.Br,0.0
2638,CO-ADD:0241215,20.41,c1(ccccc1F)C(=O)N\N=C(/C)\c(cc2)ccc2\C(\C)=N\NC(=O)c3ccccc3F,0.0
2639,CO-ADD:0242170,20.41,N1(c2ccc(cc2)Br)C(c3ccc(cc3)Cl)Nc(c4C1=O)cccc4,0.0
2640,CO-ADD:0242949,20.41,C(/F)(\N(CC)\C(\F)=N\C(F)(F)F)=N/C(F)(F)F,0.0
2641,CO-ADD:0245099,20.41,c12n(c(c3s1)ccc(c3)C(OC)=O)cc(c4ccc(cc4)OC)n2,0.0
2642,CO-ADD:0244613,20.4,C1(C([H])(CC(C)C)C2=C(C)N(N(c3ccccc3)C2=S)C)=C(C)N(N(c4ccccc4)C1=S)C,0.0
2643,CO-ADD:0242859,20.4,C(C#N)(C1c2ccc(cc2)OCC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
2644,CO-ADD:0242176,20.4,n(nnc1C(=O)N\N=C(/C)\c2ccccc2)(c1COC)c3nonc3N,0.0
2645,CO-ADD:0242314,20.39,c1(\N=C\c(ccc(c2OC)OCc3ccccc3)c2)c(c4ccc(c(OC)c4)O)nc(cccc5)n15,0.0
2646,CO-ADD:0242231,20.39,C(=O)(N\N=C\c(cc1)ccc1N(CC2)CCO2)c(cccn3)c3,0.0
2647,CO-ADD:0242068,20.39,c1(SCC(=O)N2CCCC(CCCC3)C23)[nH]c(c4n1)cccc4,0.0
2648,CO-ADD:0242310,20.38,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc(OCO3)c3c4)c4Br,0.0
2649,CO-ADD:0242271,20.38,c1(N(CC2)CCO2)nc(N\N=C\c(cc(I)cc3I)c3OC)nc(Nc(ccc(c4Cl)C)c4)n1,0.0
2650,CO-ADD:0242037,20.38,S(=O)(=O)(N(CC)CC)c1c(C)ccc(c1)C(=O)Nc2nncs2,0.0
2651,CO-ADD:0240480,20.38,n(c1C)(nnc1C(=O)N\N=C(/c2ccc(cc2)F)\c(cc3)ccc3N4CCCCC4)c5nonc5N,0.0
2652,CO-ADD:0244476,20.38,C12=C(CCCC1)C(NC=C2C#N)=S,0.0
2653,CO-ADD:0242278,20.38,C(=C/c1ccccc1C(F)(F)F)(/C2=O)\Sc(c23)cccc3,0.0
2654,CO-ADD:0240427,20.38,n1nc(c2n1C\C(\C)=N\NC(c3ccccc3)=O)cccc2,0.0
2655,CO-ADD:0240630,20.38,C(c1cccs1)#Cc(cc2)ccc2Br,0.0
2656,CO-ADD:0240693,20.38,[N+](=O)([O-])c1cccc(c1)\C=N/NC(=O)c2ccccc2I,0.0
2657,CO-ADD:0242166,20.38,N1(c2ccccc2)C(=O)\C(=C/c(cc3)ccc3Cl)\NC(c4ccccc4)=N1,0.0
2658,CO-ADD:0242163,20.37,N1(c2ccc(cc2)F)C(=O)C(CC1=O)S\C(\Nc3ccccc3)=N/c4ccccc4,0.0
2659,CO-ADD:0242882,20.36,C1(N(c2ccc(cc2)C)CCN1c3ccc(cc3)C)c4ccc(Sc5ccccc5)o4,0.0
2660,CO-ADD:0242147,20.36,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)NCc(cccn4)c4,0.0
2661,CO-ADD:0241614,20.36,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4cccs4,0.0
2662,CO-ADD:0245768,20.36,N1(c2c(O)ccc(c2)[N+](=O)[O-])C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
2663,CO-ADD:0240441,20.36,N(\C(=C\c(ccc(c1OC)OCCC)c1)\C(O2)=O)=C2c3ccccc3,0.0
2664,CO-ADD:0242120,20.36,S(N)(=O)(=O)c1ccc(cc1)NC(CSc2nccn2C)=O,0.0
2665,CO-ADD:0242415,20.36,c1(N2CCCCC2)nc(N\N=C\c(c(Cl)ccc3[N+](=O)[O-])c3)nc(Nc4ccccc4)n1,0.0
2666,CO-ADD:0244983,20.35,N1(c2ccccc2)\C(\SCC1=O)=N\N=C(\C)/c3ccc(cc3)Br,0.0
2667,CO-ADD:0240775,20.35,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCc5ccccc5,0.0
2668,CO-ADD:0242086,20.35,c1(\C(\CCC2)=N\NC(CSc3cccc(cccn4)c34)=O)c2cc(OC)cc1C,0.0
2669,CO-ADD:0240375,20.35,c1(SCC(=O)Nc(cc2)ccc2CC)oc(c3n1)cccc3,0.0
2670,CO-ADD:0240358,20.35,C12(C(OC)OC)c3c(cccc3)C(C(C1C4=O)C(N4CCO)=O)c(cccc5)c25,0.0
2671,CO-ADD:0240442,20.35,C1(C(OC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(OCC)=O)=S,0.0
2672,CO-ADD:0242291,20.35,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c4cccc(Cl)c4)o3,0.0
2673,CO-ADD:0242109,20.35,C(=O)(c(cc1)ccc1C(=O)Nc(cc2)ccc2C)N(C(C)C)C(C)C,0.0
2674,CO-ADD:0242123,20.34,c12c(nnc(SCC(=O)c3ccc(cc3)OC)n1)c4c(cccc4)n2CC,0.0
2675,CO-ADD:0245748,20.34,C(=C/Nc1cccc(F)c1)(/C2=O)\C(C(F)(F)F)=NN2c(cc3)ccc3[N+](=O)[O-],0.0
2676,CO-ADD:0241019,20.34,c1(C(=O)c2ccc(cc2)F)oc(c3c1NC(=O)CN4CCCCC4)cccc3,0.0
2677,CO-ADD:0244296,20.34,C(=C\c(ccc(c1OC)OC)c1)/C(OC)=O,0.0
2678,CO-ADD:0244262,20.33,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3ccccc3)c1,0.0
2679,CO-ADD:0244439,20.33,C1(C)(C)C(C1(C)C)C(=O)Nc(cc2)ccc2N=Nc3ccccc3,0.0
2680,CO-ADD:0242401,20.33,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2C(C)(C)C)=O)N(CC3)CCO3)c1,0.0
2681,CO-ADD:0240885,20.33,c1(ccc(cc1F)F)C(=O)N\N=C(/C)\c(cc2)cc(c2N3CCCCC3)F,0.0
2682,CO-ADD:0240665,20.33,C1(=O)OC(C(=C)N1c2ccccc2)(C)CC,0.0
2683,CO-ADD:0240636,20.32,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
2684,CO-ADD:0240691,20.32,C(Cl)(Cl)(Cl)C(O)CC(c1ccccc1)=O,0.0
2685,CO-ADD:0240179,20.32,N1(c2c(N)ccc(Cl)c2)C(=O)c3c(C(c4ccc(cc4)CC)=N1)cccc3,0.0
2686,CO-ADD:0240277,20.32,C1(=O)Oc(c(cc(c2OC(=O)Oc3ccccc3)Cl)S1)c2,0.0
2687,CO-ADD:0244466,20.32,[N+](=O)([O-])c1cccc(c1)NC(OCCCC)=O,0.0
2688,CO-ADD:0241328,20.31,n1(c2c(n3)cccc2)c3S\C(=C/c(cc(OCO4)c4c5)c5Br)\C1=O,0.0
2689,CO-ADD:0241668,20.31,N12C(S\C(=C/c3cccc(Br)c3)\C1=O)=C(C(c4cccc(Br)c4)C(C(OCC)=O)=C2N)C#N,0.0
2690,CO-ADD:0240199,20.31,C(=C\c(ccc1c(cc2)cc(c2[N+](=O)[O-])C)o1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
2691,CO-ADD:0241082,20.31,N1(c2ccc(c(C)c2)C)C(=O)\C(=C\c(ccc3c4ccc(cc4)Br)o3)\C(N(c5ccccc5)C1=S)=O,0.0
2692,CO-ADD:0242587,20.31,c1(c2ccc(cc2)NC(=O)c(cccc3[N+](=O)[O-])c3C)sc4c(ccc(C)c4)n1,0.0
2693,CO-ADD:0241506,20.31,C(=O)(N\N=C(/C)\CC(NCCC)=O)C(=O)Nc1cc(C)ccc1OC,0.0
2694,CO-ADD:0241886,20.31,C(=C\c(ccc1c2ccccc2[N+](=O)[O-])o1)(/C3=O)\C(=O)NC(=S)N3,0.0
2695,CO-ADD:0240504,20.31,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc(ccc(c4Cl)Cl)c4,0.0
2696,CO-ADD:0242687,20.31,c1(SCC(=O)N\N=C\c(ccc(c23)OCO2)c3)ncccn1,0.0
2697,CO-ADD:0240556,20.31,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3OC)OC)=C(O)C(N2c4ccccc4)=O,0.0
2698,CO-ADD:0241754,20.3,C12(c3c(NC1=O)cccc3)C(C#N)=C(COC)OC(N)=C2C(OC)=O.[Na+],0.0
2699,CO-ADD:0240347,20.3,c(C(=O)c(cccc1)c1C2=O)(c3c4ccccc4)c2c(n3c5ccc(cc5)N)c6ccc(cc6)CCC,0.0
2700,CO-ADD:0242511,20.3,N(=C\c1ccc(cc1Cl)Cl)/c2c(OC)cc(c(OC)c2)Cl,0.0
2701,CO-ADD:0246144,20.3,n1(c2c(n3)cccc2)c3S\C(=C\c4cc(Br)ccc4OCc5ccc(cc5Cl)Cl)\C1=O,0.0
2702,CO-ADD:0240864,20.3,N1(c2ccc(cc2)OC)C(=O)C3C(C(C=C4)C5C(=C(c6ccccc6)CC(C5C7=O)C(N7c8ccc(cc8)OC)=O)C34)C1=O,0.0
2703,CO-ADD:0241449,20.3,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c5ccc(cc5Cl)[N+](=O)[O-])o4)\C1=O,0.0
2704,CO-ADD:0244776,20.3,N(\C(=C/c(cc1)ccc1C(OC)=O)\C(O2)=O)=C2c3ccc(cc3)Cl,0.0
2705,CO-ADD:0242980,20.3,C(=O)(N\N=C\C1CC(CC12)C=C2)C(=O)N\N=C\C3CC(CC34)C=C4,0.0
2706,CO-ADD:0241890,20.3,C(=C\c(ccc1c(c(C)cc(c2[N+](=O)[O-])C)c2)o1)(/C(=O)NC(N3)=S)\C3=O,0.0
2707,CO-ADD:0241570,20.29,n1c2c(oc1c(cc3)ccc3N(C)C)ccc(c2)\N=C\c(cc(Cl)cc4Br)c4O,0.0
2708,CO-ADD:0242583,20.29,c1(C#N)c2c(sc1\N=C\c3sccc3C)CCCC2,0.0
2709,CO-ADD:0240444,20.29,N1(\N=C\c(ccc2I)o2)C(=O)C3C(C4C=CC3CC4)C1=O,0.0
2710,CO-ADD:0240639,20.29,c(C#N)(c1c2ccccc2)c(\N=C\c3ccc(cc3OC)OC)oc1c4ccccc4,0.0
2711,CO-ADD:0242849,20.29,c1(C(OCC)=O)c2c(oc1CSc3nc(C)c(c(C)c3C#N)CC(c4ccccc4)=O)ccc(O)c2,0.0
2712,CO-ADD:0244914,20.29,C1(C2NC(SC)=[N+]1[H])N(CC)C(=O)N2CC.[I-],0.0
2713,CO-ADD:0241503,20.29,C(=O)(N\N=C(/C)\CC(=O)NCc1ccccc1OC)C(=O)NC(C)C,0.0
2714,CO-ADD:0241863,20.29,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3[N+](=O)[O-])nc(Nc(ccc(c4Cl)C)c4)n1,0.0
2715,CO-ADD:0242343,20.29,C1(C#N)(C#N)[C@H](c2ccc(c(OC)c2)OC)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C(C)(C)C,0.0
2716,CO-ADD:0242366,20.29,c1(C#N)c(SCCCOc2ccccc2)nc(cc1c3cccc(F)c3)c4cccs4,0.0
2717,CO-ADD:0240848,20.29,C(=N\c1cccc(cccc2)c12)(/N(c(cc3)ccc3[N+](=O)[O-])N=C4C(OCC)=O)\S4,0.0
2718,CO-ADD:0240804,20.29,C(CSc1ccccn1)(=O)Nc(cc2)ccc2C(C)C,0.0
2719,CO-ADD:0241458,20.28,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3)n1,0.0
2720,CO-ADD:0240782,20.28,N(=C(/C1)\c2c(CC1)cccc2)/NC(=O)c3cccc(Br)c3,0.0
2721,CO-ADD:0240231,20.28,n(c(c1)c2ccc1C(NCCCCCCCC)=O)c(c3ccccc3)c(n2)c4ccccc4,0.0
2722,CO-ADD:0240226,20.27,c12c(c3c(cccc3)c(cccc4)c14)nc(ccc5C(NCCO)=O)c(c5)n2,0.0
2723,CO-ADD:0242580,20.27,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OCc5ccccc5)c4)\C1=O,0.0
2724,CO-ADD:0240786,20.27,c1(c2ccc(cc2)Br)ccc(\C=N\c(cc3)ccc3N(CC4)CCN4CC)o1,0.0
2725,CO-ADD:0240749,20.27,[n+]1(cnn2Cc3ccc(cc3Cl)Cl)c2c(cc(C)n1)[O-],0.0
2726,CO-ADD:0241307,20.27,N(c(ccc(c1)OC(C)=O)c12)=C(c3ccc(cc3)Oc(cc4)ccc4[N+](=O)[O-])OC2=O,0.0
2727,CO-ADD:0244350,20.27,c1(S(CC)(=O)=O)c(C(c2ccccc2)=O)n3c(ccc(C(C)=O)c3)c1S(CC)(=O)=O,0.0
2728,CO-ADD:0240300,20.27,N1(c2ccc(cc2)Br)C(=O)CC(N(CCc3ccccc3)C(C)=O)C1=O,0.0
2729,CO-ADD:0242391,20.27,C1(Cl)(CC(=O)c2ccc(cc2)Br)C(=O)OC(OC1=O)(C)C,0.0
2730,CO-ADD:0242615,20.27,S(=O)(=O)(N1CCCCCC1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c3ccccc3N(CCCC4C(=O)N(CC)CC)C4,0.0
2731,CO-ADD:0245444,20.27,C12=C(CC(C)(C)C=C1O)c3c(ccc(cccc4)c34)NC2c5cc(OCO6)c6cc5[N+](=O)[O-],0.0
2732,CO-ADD:0244573,20.27,c1(c(ccc(c1)[N+](=O)[O-])Oc2ccc(cc2OC)\C=N/c3cc(ccc3OC)Cc(ccc(c4\N=C/c(cc5)cc(c5Oc6ccc(cc6[N+](=O)[O-])[N+](=O)[O-])OC)OC)c4)[N+](=O)[O-],0.0
2733,CO-ADD:0245358,20.27,c1(csc(N\N=C(\C)/C)n1)\C(=N\OC)\C(O)=O,0.0
2734,CO-ADD:0245533,20.27,N(C(=O)\C(\S1)=C/c2ccccc2Cl)=C1N3CCC(CC3)C,0.0
2735,CO-ADD:0240876,20.26,N1(c(cc2)ccc2S(=O)(=O)N(CC=C)CC=C)C(=O)c3c(cccc3)C1=O,0.0
2736,CO-ADD:0240862,20.26,C(/NCc1ccccc1F)(\C(OCC)=O)=N\Nc2ccccc2,0.0
2737,CO-ADD:0240360,20.26,N1(c2ccccc2OCC)C(=O)C(C(C1=O)C34C(OC)OC)C(c(c35)cccc5)c(c46)cccc6,0.0
2738,CO-ADD:0240438,20.26,N1(\N=C\c2ccc(cc2OC)OC)C(=O)C(C3C1=O)C4C=CC3CC4,0.0
2739,CO-ADD:0240667,20.25,C(C#N)([C@@H](c1cccs1)[C@@H](S2)C(=O)c3ccc(cc3)F)=C2N,0.0
2740,CO-ADD:0242707,20.25,c12c(cc(cccc3)c3n1)C(c4c2cc(C)cc4)Cc(cc5)ccc5OC,0.0
2741,CO-ADD:0241179,20.25,N1(c2ccccc2c3ccccc3)C(=O)c(c4C1=O)ccc(c4)C(OC5=O)=Nc(c56)cc(c(OC)c6)OC,0.0
2742,CO-ADD:0241134,20.25,n1c2c(oc1c(cc3)ccc3c4oc(c5n4)cccc5)cccc2,0.0
2743,CO-ADD:0242066,20.25,N1(COC(COC(=O)CN2C(=O)c(c3C2=O)cccc3[N+](=O)[O-])=O)C(=O)c4c(cccc4)C1=O,0.0
2744,CO-ADD:0242486,20.25,c12c(c(nn1c3ccccc3)C)cc(C(=O)N\N=C\c4c(O)ccc(cccc5)c45)s2,0.0
2745,CO-ADD:0242520,20.25,C1(c2cccc(cccc3)c23)=N\C(\C(=O)O1)=C/c4cccc(c4)OCc5ccccc5,0.0
2746,CO-ADD:0241565,20.25,c1(oc(c2n1)ccc(c2)\N=C\C=C\c3cccc(Br)c3)c4ccc(cc4Cl)Cl,0.0
2747,CO-ADD:0245491,20.25,c1(C#N)c2c(sc1\N=C\c(ccc3c4cccc(Cl)c4Cl)o3)CCCC2,0.0
2748,CO-ADD:0241106,20.25,C(/CC1C)(=N/NC(CSc2cccc(cccn3)c23)=O)\c4c(C1)cc(OC)cc4,0.0
2749,CO-ADD:0240990,20.25,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3C(CC(N4c5ccc(cc5)F)=O)C4=O)C1=O,0.0
2750,CO-ADD:0241658,20.24,C12(c3c(NC1=O)cccc3)C(C(OC)=O)=C(CCC)OC(N)=C2C(OCC)=O,0.0
2751,CO-ADD:0246009,20.24,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
2752,CO-ADD:0241755,20.24,C12(c3c(NC1=O)cccc3)C(C(OCCOC)=O)=C(COC)OC(N)=C2C(OC)=O,0.0
2753,CO-ADD:0242593,20.23,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3c4ncccn4)C1=O,0.0
2754,CO-ADD:0242555,20.23,N1(c2cccc(cccc3)c23)C(=O)\C(=C\c(c4c([nH]5)cccc4)c5)\C(NC1=S)=O,0.0
2755,CO-ADD:0240604,20.22,n1(nnc(C(=O)N\N=C\C=C\C)c1CN(CC2)CCO2)c3nonc3N,0.0
2756,CO-ADD:0240937,20.22,s1c(C2CCCCC2)nnc1NC(=O)c3ccc(c(OC)c3)OC,0.0
2757,CO-ADD:0240771,20.22,c(C(=O)c1c(C2=O)cccc1)(c3c4ccccc4)c2c(n3c5ccc(cc5)N)c6ccc(cc6)CCCC,0.0
2758,CO-ADD:0245677,20.22,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SC)c3)sc(c(ccc5[N+](=O)[O-])n1)c5,0.0
2759,CO-ADD:0240807,20.22,c1(cccc(C)c1OC)C(=O)NC2CCCCCCC2,0.0
2760,CO-ADD:0242626,20.22,c1(C#N)c(CC2)c(sc1\N=C\c(cc(Br)cc3Br)c3O)CN2Cc4ccccc4,0.0
2761,CO-ADD:0242220,20.22,C1(=O)N[C@@H]([C@H]([C@H](S2)CCCCC(O)=O)N1)C2.C(N)(NCCCC(N)C(O)=O)=N,0.0
2762,CO-ADD:0245432,20.22,C1(C(OCC)=O)=C(C)NC(NC1c2cccc(Br)c2)=O,0.0
2763,CO-ADD:0241153,20.22,C(=C\c(cc1)ccc1Br)(/NC(c2ccccc2)=O)\C(=O)NC(CCSC)C(O)=O,0.0
2764,CO-ADD:0241859,20.22,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(ccc(c3OC)O)c3)n1,0.0
2765,CO-ADD:0241874,20.21,c1(non2)c2nc(Nc(cc3)ccc3C(OCC)=O)c(N\N=C\c4cccc(cccc5)c45)n1,0.0
2766,CO-ADD:0242400,20.21,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2C(C)(C)C)=O)N3CCCCCC3)c1,0.0
2767,CO-ADD:0242655,20.21,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCC(OC(C)C)=O,0.0
2768,CO-ADD:0241885,20.21,C(=C\c(ccc1c2ccc(cc2Cl)[N+](=O)[O-])o1)(/C3=O)\C(=O)NC(=O)N3,0.0
2769,CO-ADD:0244734,20.21,c1(CNc2ccccc2)c(C)sc(C)c1CNc3ccccc3,0.0
2770,CO-ADD:0240289,20.2,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
2771,CO-ADD:0246015,20.2,n12c(S\C(=C\c(ccc3c(cccc4C(O)=O)c4)o3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
2772,CO-ADD:0240728,20.19,n1(c(C)cc(C)n1)C(=O)c2ccccc2C(=O)Nc(ccc(c34)cccc3)c4,0.0
2773,CO-ADD:0242024,20.19,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)O1)=C\c(cc3)ccc3C(OC)=O,0.0
2774,CO-ADD:0241796,20.19,N1(c(cc2)ccc2C(=O)Nc(cccc3C(OC)=O)c3)C(=O)c(c4C1=O)cccc4,0.0
2775,CO-ADD:0244706,20.19,c(Nc(cc1)ccc1[N+](=O)[O-])(c2c3cccc2)c4c(n3)cccc4,0.0
2776,CO-ADD:0242410,20.19,C(C#N)(C(c1cccs1)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
2777,CO-ADD:0242351,20.19,c1(C#N)c(c2ccccc2)cc(nc1SCc(cc3)ccn3)c4cccs4,0.0
2778,CO-ADD:0241924,20.19,c1(cc(Cl)c(cc1C(O)=O)Cl)C(=O)Nc2c(Cl)ccc(Cl)c2,0.0
2779,CO-ADD:0241902,20.18,C(=C\c1ccccc1C(F)(F)F)(/C2=O)\C(=O)NC(=O)N2,0.0
2780,CO-ADD:0246041,20.18,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c2ccccc2O)F,0.0
2781,CO-ADD:0245814,20.18,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)C(=O)NC(=CNC(N4)=O)C4=O,0.0
2782,CO-ADD:0241262,20.18,N1(CC(OCC(=O)Nc2cccc(cccc3)c23)=O)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
2783,CO-ADD:0244278,20.18,c1(Cl)cc(Cl)ccc1\C=N\NC(CCC(=O)Nc(cc2)ccc2OC)=O,0.0
2784,CO-ADD:0245673,20.18,c1(cc(cc(C(=O)Nc(cc2)ccc2Cl)c1NC(CC(C)C)C(O)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
2785,CO-ADD:0245667,20.16,S(C)(=O)(=O)N(c1ccc(cc1)OC)C(C)C(=O)N\N=C\c2ccc(cc2OCC=C)OCC=C,0.0
2786,CO-ADD:0241809,20.16,N1(CC(OCC(=O)Nc2sc3c(ccc(OC)c3)n2)=O)C(=O)c4c(cccc4)C1=O,0.0
2787,CO-ADD:0244870,20.16,[C@@]([H])(N(CC)C(=O)N1CC)([C@@]1([H])N2)N3C(S[C@]4([C@@H](c(c5)ccc([N+](=O)[O-])c5)CN(C)[C@]4(C6=O)c(cc7)c(cc7)N6)C3=O)=N2,0.0
2788,CO-ADD:0244885,20.16,[C@@]([H])(N(CC)C(=O)N1CC)([C@@]1([H])N2)N3C(S[C@]4([C@@H](c(c5Cl)ccc(Cl)c5)CN(C)[C@]4(C6=O)c(cc7)c(cc7)N6)C3=O)=N2,0.0
2789,CO-ADD:0244224,20.16,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
2790,CO-ADD:0241798,20.16,n1(nnc(C(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)c1CN(CC)CC)c3nonc3N,0.0
2791,CO-ADD:0246224,20.16,C(/C(=O)C(OC)=O)=C(/c1ccccc1)\NN(C)c2ccccc2,0.0
2792,CO-ADD:0241812,20.15,c1(N(CC)CC)nc(N\N=C\c2ccccc2)nc(Nc(ccc(c3Cl)C)c3)n1.Cl,0.0
2793,CO-ADD:0241185,20.15,N1(c2ccccc2)C(=O)c3c(cc(cc3)NC(=O)c4cccs4)C1=O,0.0
2794,CO-ADD:0245605,20.15,c1(Sc2ccc(\C=N\NC(=O)c3ccccc3[N+](=O)[O-])o2)nnc(c4ccccc4)n1c5ccccc5,0.0
2795,CO-ADD:0241303,20.15,N1(CC(=O)Nc(cc(cc2C(O)=O)C(O)=O)c2)C(=O)c3c(cccc3)C1=O,0.0
2796,CO-ADD:0242609,20.14,C1(=C(O)CC(C)(C)CC1=O)C(c(cc2Br)cc(c2O)Br)C3C(=O)CC(CC3=O)(C)C,0.0
2797,CO-ADD:0244537,20.14,c1(cc(OC)cc(\C=N\c(ccc2c3[nH]c(n2)C)c3)c1O)[N+](=O)[O-],0.0
2798,CO-ADD:0242975,20.14,C(/C(OCC)=O)(\NNC(c1ccccc1)=O)=C(\C)/C(OCC)=O,0.0
2799,CO-ADD:0245861,20.14,C(C(CCCC)CC)(=O)Nc(cc1)ccc1C(NCCCCCCCCCCC)=O,0.0
2800,CO-ADD:0242855,20.14,C(C#N)(C1c2ccc(cc2)F)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
2801,CO-ADD:0242909,20.14,c1(c(cc2)ccn2)[nH]c(c3n1)cccc3.c4(c(cc5)ccn5)[nH]c(c6n4)cccc6.[Cu](Cl)Cl,0.0
2802,CO-ADD:0241061,20.14,N1(c2ccc(c(C)c2)C)C(=O)\C(=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3)\C(N(c5ccccc5)C1=S)=O,0.0
2803,CO-ADD:0245974,20.14,c1(Nc(cc2)ccc2OC)nc(N\N=C\c3cc(Br)ccc3OCc4ccccc4)nc(NCc5ccco5)n1,0.0
2804,CO-ADD:0245513,20.14,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)OC,0.0
2805,CO-ADD:0245559,20.14,N1(Cc2ccccc2)\C(=N\c3ccccc3)\SC(CC(=O)Nc4ccccc4[N+](=O)[O-])C1=O,0.0
2806,CO-ADD:0241595,20.14,C1(c2ccccc2)(CC1(Cl)Cl)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
2807,CO-ADD:0246133,20.13,c1(c2)c(cc(OC)c2NC(CCC3CCCC3)=O)c4c(cccc4)o1,0.0
2808,CO-ADD:0246160,20.12,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(cc3)ccc3[N+](=O)[O-])\N2c4ccccc4,0.0
2809,CO-ADD:0242704,20.12,C(Br)(C(OCC)=O)(C1c2ccccc2)C(C)(Br)NC(C)(Br)C1(Br)C(OCC)=O,0.0
2810,CO-ADD:0244222,20.12,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c5ccc(cc5)OC,0.0
2811,CO-ADD:0244832,20.12,C(C)N(C(=S)N1CC)C(C1N2)N=C3N2C(=O)\C(=C(\C4=O)/c(cc5)c(cc5)N4CCc6ccccc6)\S3,0.0
2812,CO-ADD:0241843,20.12,c1(N(CC2)CCO2)nc(N\N=C\c(cccc3[N+](=O)[O-])c3O)nc(Nc(cc4)ccc4F)n1.CC(=O)O,0.0
2813,CO-ADD:0245799,20.12,n1(CC=C)c(SCC(NCCOc2ccccc2)=O)nnc1c3ccc(cc3)OC,0.0
2814,CO-ADD:0245965,20.11,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)Nc(cc4)ccc4C(C)C)cccc3,0.0
2815,CO-ADD:0244642,20.11,N(=C\c(ccc(c1OC)OC)c1)/NC(Cc2ccccc2)=O,0.0
2816,CO-ADD:0244277,20.11,N(=C\c(cc1)ccc1I)/NC(CCC(=O)Nc(cc2)ccc2OC)=O,0.0
2817,CO-ADD:0242143,20.11,c1(C(=O)OCC(c2ccccc2)=O)cc(c3o1)cccc3,0.0
2818,CO-ADD:0241842,20.11,c1(N(CC)CC)nc(N\N=C\c(cc(Br)cc2Br)c2OC)nc(Nc(ccc(c3Cl)C)c3)n1.Cl,0.0
2819,CO-ADD:0244893,20.1,C1(C2NC(=S)N1)N(CC)C(=O)N2,0.0
2820,CO-ADD:0242623,20.1,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
2821,CO-ADD:0330867,20.1,c1(C2=O)c(sc(COC(C(C)C)C3)c13)N=C(SCCC(C)C)N2Cc4ccccc4,0.0
2822,CO-ADD:0330987,20.1,S(=O)(=O)(Nc(ccc(n1)OC)c1)c(ccc2c3c4c(o2)cccc4)c3,0.0
2823,CO-ADD:0331396,20.1,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(=O)(=O)Nc4onc(C)c4C)n1)c5c(cccc5)n2C,0.0
2824,CO-ADD:0331324,20.1,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)N(C(=O)N1)c3ccccc3,0.0
2825,CO-ADD:0331135,20.1,n1(Cc(cc2)ccc2C(C)C)c3c(nc1COc(cc4)ccc4Cl)cccc3,0.0
2826,CO-ADD:0332282,20.1,c1(ccc(cc1Cl)Cl)C(=O)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
2827,CO-ADD:0331398,20.09,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(=O)(=O)Nc4onc(C)c4C)n1)c5c(cccc5)n2CCc6ccccc6,0.0
2828,CO-ADD:0330816,20.09,c1(C#N)c(C)c(C)c(nc1SCC(=O)Nc2ccccc2)C,0.0
2829,CO-ADD:0330902,20.09,[nH](c(ccc(c1)OC)c1c2CCNCc(cc3)ccc3C#N)c2C,0.0
2830,CO-ADD:0331310,20.09,C(C(F)(F)F)(NC(=O)c1ccc(cc1)OC)(C2=O)NC(N2C(CC)C34CC(CC5C3)CC(C5)C4)=O,0.0
2831,CO-ADD:0330926,20.09,c1(C#N)c(COC)cc(nc1SCC(=O)Nc(cc2)ccc2OC)C,0.0
2832,CO-ADD:0330942,20.08,c1(C(=O)N(Cc2ccccc2)Cc3ccccc3)sc4c(c(COC)cc(C)n4)c1N=P(c5ccccc5)(c6ccccc6)c7ccccc7,0.0
2833,CO-ADD:0331056,20.08,S(NCCCNc(cc1)c(Cl)cc1[N+](=O)[O-])(=O)(=O)c2ccc(c(F)c2)OC,0.0
2834,CO-ADD:0330761,20.08,c1(c(C)nn(c2ccccc2)c1Cl)C3Nc4c(NC(CC(C(C(OC)=O)C5=O)C)=C35)cccc4,0.0
2835,CO-ADD:0331874,20.08,S(=O)(=O)(N(CC1)CCN1C(OCC)=O)c2ccc(c(cccc3)c23)OCC,0.0
2836,CO-ADD:0331388,20.08,C1(=O)Nc(c2N1CCC(C)C)cccc2,0.0
2837,CO-ADD:0332465,20.08,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(Nc(cc4)ccc4OCC)C(N2CCCCCC(O)=O)=O,0.0
2838,CO-ADD:0331957,20.08,C1(C(NCCc(c2c([nH]3)ccc(C)c2)c3C)=O)=Cc(c4)c(OC1=O)c(cc4[N+](=O)[O-])OC,0.0
2839,CO-ADD:0332046,20.08,C(c1ccccc1)(=O)NC(c2ccc(cc2)OC)CC(=O)OCC(c3ccccc3)=O,0.0
2840,CO-ADD:0330842,20.08,c1(OC)nc(Cl)cc(C)c1C(NCCc2ccccc2)=O,0.0
2841,CO-ADD:0331556,20.08,N1(CCCS2)C2=NC(C)=CC1=O,0.0
2842,CO-ADD:0331089,20.07,c1(C(C)O)n(CCOC)c2c(cccc2)n1,0.0
2843,CO-ADD:0135934,20.07,Clc(c(cccc1)c1c2C(N)=O)cc2,0.0
2844,CO-ADD:0136014,20.07,[H]N1C(=N/N=C(CCCC2)/C2)C=Cc(ccc3)c1c3,0.0
2845,CO-ADD:0135975,20.07,O(CC=C)c(ccn1)nc1c(cccc2)c2,0.0
2846,CO-ADD:0136707,20.07,o1c(NC(Cc(ccc(O)c2)c2)C(OCC)=O)nc(ccc3)c1c3,0.0
2847,CO-ADD:0136787,20.07,c12c(OCO1)cc(c3nnc(Nc4c(C)cc(C)cc4)o3)cc2,0.0
2849,CO-ADD:0137243,20.05,n1cnc(c(c1N)n2)n([C@](CCCCCC)([C@](C)(O)[H])[H])c2.Cl,0.0
2850,CO-ADD:0136075,20.05,O=C(CCCn1c2c(C#N)c(C)c1C)N2[H],0.0
2851,CO-ADD:0136871,20.05,c1ccc(c(C=C(P(OCC)(OCC)=O)/C#N)c[nH]2)c2c1,0.0
2852,CO-ADD:0136919,20.05,O1C(C(C(C(OCCOC(C(C(C(C2C3)O2)C34)CC45)C5)C6)CC67)C78)C1C8,0.0
2853,CO-ADD:0136824,20.05,Clc1c(nc(n([H])c(SCC(OCC)=O)n2)c2n1)Cl,0.0
2854,CO-ADD:0136888,20.05,O=[As](O)(c(ccc([N+](=O)[O-])c1)c1)c(ccc(NC(C)=O)c2)c2,0.0
2855,CO-ADD:0136231,20.05,Clc(nc(c1c2Nc(ccc3C)c(C)c3)ncn1C)n2,0.0
2856,CO-ADD:0136247,20.04,c1c(C=CC(=O)c2ccc(NC(=O)OCC)cc2)cccc1,0.0
2857,CO-ADD:0136343,20.04,O=C1NC(c2ccc(OC)cc2)C(c(ccc(OC)c3)c3)=N1,0.0
2858,CO-ADD:0136359,20.04,Clc(nc(c(cn1)c2N(CC)c3ccccc3)n1C)n2,0.0
2859,CO-ADD:0136367,20.04,n1c(c(cccc2)c2)nc(nnc3C)n3c1c4ccccc4,0.0
2860,CO-ADD:0136096,20.03,c1cnc(c2nn([H])c(c3ncccc3)n2)cc1,0.0
2861,CO-ADD:0136232,20.03,n1c2c(cc3c1cccc3)C(O)C(C)(C)c(c2c4)ccc4,0.0
2862,CO-ADD:0136248,20.03,c1c(O)ccc(C2CC(=O)c(c(O)cc3O)c(O2)c3)c1,0.0
2863,CO-ADD:0136153,20.03,Nc1c(ncn2C=C=CCO)c2ncn1,0.0
2864,CO-ADD:0136089,20.03,C(#C)CNc1ccc(C(=O)OCC)cc1,0.0
2865,CO-ADD:0136297,20.03,c1c(OC(=O)Nc2ccc(O)c(C(O)=O)c2)cccc1,0.0
2866,CO-ADD:0136305,20.03,[H]n1c(c(ccc2)nc(c13)c(cc([N+](=O)[O-])c4)c(c4)n3)c2,0.0
2867,CO-ADD:0137237,20.02,O=C1C(=C)C2CC(C(C)CC(O)C=C(/C)CCC=C(C)/CC2O)O1,0.0
2868,CO-ADD:0136389,20.02,C1CC(OC(=O)C2C(=N)C(C(OCC)=O)C#N)C2CC1,0.0
2869,CO-ADD:0136485,20.02,c1ccn(c2n(c3cc(Cl)ccc3)ncc2C#N)c1,0.0
2870,CO-ADD:0136421,20.02,c1c(S(NC(=N)SC)(=O)=O)ccc(NC(C)=O)c1,0.0
2871,CO-ADD:0136573,20.02,O=C(C=C(CC[C@]([C@@]1([C@@H](O)C2)F)([C@](CC3)([C@@]2(C)[C@H]3C(C)=O)[H])[H])[C@@]14C)CC4,0.0
2872,CO-ADD:0136494,20.02,n1ccc(c2nc(NC(C)C)nc(NCC)n2)cc1,0.0
2873,CO-ADD:0136430,20.01,Brc(c(OC)c1)c(ccc2)c(c1NC(C)=O)n2,0.0
2874,CO-ADD:0136756,20.01,c1(C(N)=O)ccccc1NC(Nc(cc(SC)cc2)c2)=O,0.0
2875,CO-ADD:0136850,20.01,c1c2c(c(cc([N+](=O)[O-])c3)C(=O)N(CCN(CCC4)C4)C2=O)c3cc1,0.0
2876,CO-ADD:0136866,20.01,c1c(SC(CC(=O)Nc2c(C)c(Cl)ccc2)C(=O)N3)c3ccc1,0.0
2877,CO-ADD:0135675,20.01,c1(O)nc(O)c(CC(O)=O)s1,0.0
2878,CO-ADD:0135611,20.01,c1c(NC(=CC(C)=O)C)c(O)ccc1,0.0
2879,CO-ADD:0136182,20.01,n1([H])c(CO)c(C(=O)OCC)c(C)c1C(OCC)=O,0.0
2880,CO-ADD:0136190,20.01,c1ccc(nc2c(cc(Cl)cc2)c3)c3c1,0.0
2881,CO-ADD:0136294,20.0,n1c(Cc2ccccc2)n(N)c(Cc(cccc3)c3)n1,0.0
2882,CO-ADD:0136318,20.0,O=C(N([H])C(C(=C/c1ccc(O)c(OC)c1)C2=O)=O)N2[H],0.0
2883,CO-ADD:0135643,20.0,c1c(c(O)nn1[H])C(=O)OCC,0.0
2884,CO-ADD:0135723,20.0,O1CC(CO)(CO)N([H])C12CCCC2,0.0
2885,CO-ADD:0137092,19.99,c1cc(nccc2Nc3ccc(C(Nc4ccc(Nc5ccncc5)cc4)=O)cc3)c2cc1[N+](=O)[O-],0.0
2886,CO-ADD:0137100,19.99,c1ccc(sc(NC(Nc2ccc(C)c(NC(Nc3sc(cccc4)c4n3)=O)c2)=O)n5)c5c1,0.0
2887,CO-ADD:0135636,19.99,O=C1C=C(SCCCC)N([H])C(N)=N1,0.0
2888,CO-ADD:0135644,19.99,n1c([N+](=O)[O-])c(NC(=N)N)n(C)c1,0.0
2889,CO-ADD:0137037,19.99,C(NOC(c1ccccc1)=O)(C(Cc2ccccc2)C(NOC(c3ccccc3)=O)=O)=N[H],0.0
2891,CO-ADD:0136315,19.99,c1c(CC(=O)c(c(O)cc(O)c2)c2)ccc(OC)c1,0.0
2892,CO-ADD:0136156,19.98,c1c(C=C(C(N)=O)/C#N)cc(O)c(O)c1O,0.0
2893,CO-ADD:0136632,19.98,O1c(c(O)cc2)c([C@@](CC3)([C@@H]1C(CC4)=O)[C@]4(O)[C@@H]5N3CC=C)c2C5,0.0
2894,CO-ADD:0136688,19.98,Clc(c(c(c(C(=O)N1N(C)C)c2C1=O)Cl)Cl)c2Cl,0.0
2895,CO-ADD:0135586,19.98,C1NCC(C#N)(N=NC2)C12,0.0
2896,CO-ADD:0135819,19.98,C1OC(N2CCN(C)CC2)=NC1,0.0
2897,CO-ADD:0135583,19.97,N1(C)C(=N)C=C(C)C=C1,0.0
2898,CO-ADD:0135679,19.97,[H]n1c(c(ccc2)nc1c(ccn3)cc3)c2,0.0
2899,CO-ADD:0137104,19.97,O(C)C(C(O)=C1C2C=C(C)/C=C/C=C/C(N(C(c3ccccc3)CC=CCCC(O)CC1=O)[H])=O)C2,0.0
2900,CO-ADD:0137032,19.97,[H][C@](OC)(C)[C@@](C(C)(C)O)(C(=O)OCC(=CC1)[C@]([C@H](CC2)OC(=O)C(C)=C(/C)[H])(N12)[H])O,0.0
2901,CO-ADD:0137128,19.97,c1(OC(C(O)C(OC(c2[nH]c(C)cc2)=O)C(OC)C3(C)C)O3)c(Cl)c(OC(=O)C(NC(c4cc(CC=C(/C)C)c(O)cc4)=O)=C5O)c5cc1,0.0
2902,CO-ADD:0135955,19.96,[O-][N+]1=Nc2c(Cc3c1cc(N)cc3)ccc(N)c2,0.0
2903,CO-ADD:0136092,19.95,o1c(CNC(=O)Nc2c(C)cccc2C)ccc1,0.0
2904,CO-ADD:0135576,19.95,C1(=N)SSC(N1[H])=S,0.0
2905,CO-ADD:0135728,19.95,n1c(c(c(C)cc2)c(O)cc1C)c2C,0.0
2906,CO-ADD:0137137,19.95,O(C(=O)C1(C(=O)OC(C)(C)C)C(C(C(C2(C(OC)=O)C(OC)=O)C23)=O)C13)C(C)(C)C,0.0
2907,CO-ADD:0136116,19.95,c1c2c(N([H])c(ccc3)c(S2)c3)nnc1Cl,0.0
2908,CO-ADD:0136348,19.95,s1cc(C=C(C(N([H])C2=O)=O)/C(N2[H])=O)c(ccc3)c1c3,0.0
2909,CO-ADD:0136149,19.95,c1c(NC(=S)Nc(ccc(N)c2)c2)cccc1,0.0
2910,CO-ADD:0136157,19.94,c1ccc(C=C(/C#N)C(O)=O)c(OC)c1,0.0
2911,CO-ADD:0135581,19.94,N1(C(C)(C)C)CCC1CN,0.0
2912,CO-ADD:0136733,19.94,O(CC(=O)Nc(c(C(N)=O)ccc1)c1)c(ccc(c2)Cl)c2,0.0
2913,CO-ADD:0135864,19.94,n1c(OCC)nc(c(c1OCC)cn2)n2C,0.0
2914,CO-ADD:0136008,19.94,c1ccc(c(O)cc(C(C)=O)c2O)c2c1,0.0
2915,CO-ADD:0136538,19.94,c1cc(Cl)c(NC(Nc2ccc(C)nc2)=O)c(Cl)c1,0.0
2916,CO-ADD:0136634,19.94,n1c(c(ccc2)ccc1C=C/C(=O)c3cc(ccc3O)Cl)c2,0.0
2917,CO-ADD:0136594,19.94,C1[C@@]2([C@]([C@](C(=O)O2)(C)CCC3)([H])[C@@]3(C)[C@@](O)(CCc4cocc4)[C@@H]1C)[H],0.0
2918,CO-ADD:0136508,19.93,c1(CC#N)ccc(C)c(C)c1c2c(C)c(C)ccc2CC#N,0.0
2919,CO-ADD:0136652,19.93,N1(CC(O)COc(cc(C)cc2)c2)CCN(CC1)c(ccc(C)c3)c3,0.0
2920,CO-ADD:0136497,19.93,c1([N+](=O)[O-])cc(NC(CNC(C)C)CC2)c2cc1CO,0.0
2921,CO-ADD:0136252,19.93,O=C(C(CC(=O)OCC)=CC(N1[H])=O)N1c(cccc2)c2,0.0
2922,CO-ADD:0136284,19.93,N1=NCC(c2ccc(cc2)Cl)C1C(=O)c(ccc3)cc3,0.0
2923,CO-ADD:0136889,19.93,N1(C(=O)Nc(ccc(OC)c2)c2)CCN(C(Nc(ccc(OC)c3)c3)=O)CC1,0.0
2924,CO-ADD:0136977,19.93,FC(F)(F)c(cc(C(=Cc1ccc(N(CCC#N)C)cc1)C#N)cc2)c2,0.0
2925,CO-ADD:0136794,19.93,c1coc(CNC(C(NN(C)C(NC2CCCCC2)=O)=O)=O)c1,0.0
2926,CO-ADD:0136362,19.93,n1(C)c(C)c(C(=O)OCC)c(C)c1C(OCC)=O,0.0
2927,CO-ADD:0137231,19.92,O1COC(C(C)=C(C(C)=O)[H])=C(c(c(OC(C)=O)c(C)c(N(C(C(C)=C([H])C(=C(/C(C)C(C(C)C(OC(O)C(C)C2O)C2C(=O)OC)O)[H])[H])=O)[H])c3O)c3C4=O)C1=C4C,0.0
2928,CO-ADD:0135733,19.92,N1(C)Cc(cc(c2c3)OCO2)c3CC1,0.0
2929,CO-ADD:0135813,19.92,c1csc(c2n([H])c(SC)nn2)c1,0.0
2930,CO-ADD:0135741,19.92,C(NC(=N)N)(=N)Nc(ccc(O)c1)c1,0.0
2931,CO-ADD:0136641,19.92,O=C1C=CC(=CC=C1OC(=O)C(C)=C)N=Nc(ccc(C)c2)c2,0.0
2932,CO-ADD:0135681,19.92,n1cc(CC)ccc1C=C(/CC)CC,0.0
2933,CO-ADD:0136160,19.91,c1c(C(C(C(OCC)=O)=O)C(=O)N2)c2ccc1,0.0
2934,CO-ADD:0135754,19.91,c1ccc(c2c(C(N(CC2)[H])=O)n3[H])c3c1,0.0
2935,CO-ADD:0135978,19.91,N1(C(C(Cl)Cl)=O)CC(CCC2C1)CC2,0.0
2936,CO-ADD:0137249,19.9,CC12C3(C4(C(=O)O1)O[H])OC5(C(=O)C3C(CC26)(C(C(=O)O6)CO5)C)C7C(CC4)C8(C(=CC7)CC=CC8=O)C,0.0
2937,CO-ADD:0137268,19.9,CC1C(OC(OC(CC2)(OO3)C)C3(C2C(CC4)C)C14)=O,0.0
2938,CO-ADD:0137173,19.9,O1[C@@]2(CC[C@@H](O)[C@@H](OC)[C@@]2([C@](C)([C@]3(CC=C(/C)C)[H])O3)[H])C1,0.0
2939,CO-ADD:0137251,19.89,c1(c(c(ccc1OC(C)=O)C=CC2=O)O2)OC(C)=O,0.0
2940,CO-ADD:0137203,19.89,n1c(c2ccc(C(O)=C(OC)C(C3=N4)=NC4(C)C)c3n2)c(N)c(c5ccc(OC)c(OC)c5O)c(C)c1C(O)=O,0.0
2941,CO-ADD:0137234,19.89,O=C(CC(C(N([H])C(c1ccccc1)C(OC(C)C(NC(=O)c2c(O)cccn2)C(=O)N([H])C(CC)C(=O)N3C(CCC3)C(=O)N(C)C(Cc4ccccc4)C5=O)=O)=O)N56)CC6,0.0
2942,CO-ADD:0137186,19.89,N12C(CC3C(CC(OC(=O)CCc(cc(OC)c4OC)cc4OC)C(OC)C3C(=O)OC)C1)c(c(CC2)c(ccc5OC)c6c5)n6[H],0.0
2943,CO-ADD:0137270,19.88,O(C)c1cc(OC(=C2)C(C(=CC2=O)OC(c3ccccc3)=C4)=C45)c5c(OC6c7ccccc7)c1CC6,0.0
2944,CO-ADD:0137187,19.88,O1c(cc(O)c(CC=C(C)/C)c2O)c2C(c(c1cc(O)c3OC)c3CC=C(/C)C)=O,0.0
2945,CO-ADD:0137193,19.88,O1C(C(C(C(O)C1CO)OC(C(O)C(O)C(O)C2CO)O2)OC(C(O)C(O)C(O)C3C)O3)OC4CCC(C)(C(CCC(C)(C(C(C)C(CCC(C)C5)N56)C6C7)C78)C8C9)C(=C9)C4.Cl,0.0
2946,CO-ADD:0136499,19.88,S(C)C(NC(NC(c1ccc([N+](=O)[O-])cc1)=O)=O)=O,0.0
2947,CO-ADD:0135625,19.87,C1(O)(CNC(C)=O)CC(C)CCC1,0.0
2948,CO-ADD:0137106,19.87,O=S(c1ccccc1)(=O)N=C(NNC(c2c(noc2C)c(c(Cl)ccc3)c3Cl)=O)/SC,0.0
2949,CO-ADD:0135618,19.87,c1c(O)c(O)ccc1C(C(C)C)=O,0.0
2950,CO-ADD:0136550,19.87,c1c(C=C(/C#N)C(c2ccccc2)=O)ccc(N(C)C)c1,0.0
2951,CO-ADD:0136439,19.87,O=C1C=CN(CC(Nc2sccn2)=O)C(=O)N1[H],0.0
2952,CO-ADD:0135774,19.87,N1=CN([H])c(c(C(O)=O)cn2)n2C1=S,0.0
2953,CO-ADD:0135982,19.87,n1cccc(C(C(=O)c(c2)cccn2)=O)c1,0.0
2954,CO-ADD:0135151,19.87,c1([N+]([O-])=O)nc(C(NN)=O)n(Cc2ccc(OC(F)(F)F)cc2)c1,0.0
2955,CO-ADD:0135132,19.87,O=C1N=C(N2CCC3(O[C@@H](C)CO3)CC2)Sc(c14)c([N+](=O)[O-])cc(C(F)(F)F)c4,0.0
2956,CO-ADD:0258555,19.87,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(cc4)ccc4[N+](=O)[O-])nc(Nc(cc5)ccc5C)n1.Cl,0.0
2957,CO-ADD:0258529,19.86,n1(N)c(C)nnc1N\N=C\C2c3c(N=C2)cccc3.Cl.Cl,0.0
2958,CO-ADD:0258298,19.86,n1c(c2cccc(O)c2)[nH]c(c(cc3)ccc3c4ccccc4)c1c(cc5)ccc5c6ccccc6,0.0
2959,CO-ADD:0259090,19.86,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc(OCO4)c4c5)c5Br)\C1=O)=NC(C)=C2C(C)=O,0.0
2960,CO-ADD:0284464,19.86,[N+](=O)([O-])c1ccc(c2c1cccn2)N3CCCCCC3,0.0
2961,CO-ADD:0284504,19.85,N12C(S\C(=C/c(ccc(c3OC)OC)c3)\C1=O)=C(C(c4ccc(c(OC)c4)OC)C(C#N)=C2N)C#N,0.0
2962,CO-ADD:0258364,19.85,C1(C2CCCC1C2c3ccccc3)C(=O)Oc4ccccc4,0.0
2963,CO-ADD:0283615,19.85,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4\C(=N\c(cc5)ccc5OCCCCC)\C1=O,0.0
2964,CO-ADD:0284479,19.85,[N+](=O)([O-])c1ccc(cc1)NC(=O)C2CCC(=O)N2,0.0
2965,CO-ADD:0277464,19.85,N1(CC(C)C)\C(=N\c(cccc2C(F)(F)F)c2)\SC=C1c3ccc(c(Br)c3)OC.Br,0.0
2966,CO-ADD:0283280,19.85,C1(=Cc2c(OC1=O)cccc2)c3csc(N\N=C(/C4)\CCC4)n3,0.0
2967,CO-ADD:0283657,19.85,C12=C(CC(C)(C)CC1=O)Oc(cccc3)c3C2CC(=O)c4ccc(cc4)O,0.0
2968,CO-ADD:0283281,19.85,n1c(c(cc2)ccc2c3cc(n(c4ccccc4)n3)O)cc(O)n1c5ccccc5,0.0
2969,CO-ADD:0284603,19.85,c12c(c(cc(Oc(c3N4)cccc3C)c14)NC5CCCCC5)C(c(cccc6)c6C2=O)=O,0.0
2970,CO-ADD:0283069,19.84,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)\C(\SC1=S)=C\c(ccc3c4ccc(cc4Cl)Cl)o3,0.0
2971,CO-ADD:0278501,19.84,C(C#N)(C1c2ccc(c(OC)c2)O)=C(N)SC(N)=C1C#N,0.0
2972,CO-ADD:0283119,19.84,C1(C(=O)OCC2CCCO2)=C(C)NC(=C3C1c4ccc(c(OC)c4)OCc5ccccc5)CCCC3=O,0.0
2973,CO-ADD:0283127,19.84,c12c(ccc(OCC=C)c1C)C3=C(C(=O)O2)CCC3,0.0
2974,CO-ADD:0284031,19.84,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(cc4OCC)cc(c4O)Cl)\C1=O,0.0
2975,CO-ADD:0278511,19.84,c12c(nnc(SC(CC)C(=O)Nc(cc3)ccc3[N+](=O)[O-])n1)c4c(cccc4)n2Cc5ccccc5,0.0
2976,CO-ADD:0283984,19.84,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4ccccc4OC(C)C,0.0
2977,CO-ADD:0279031,19.84,N(c1c2cccc1)=C(C(Cl)Cl)CC(=N2)c3ccccc3,0.0
2978,CO-ADD:0278399,19.83,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc4c(F)cc(cc4Br)F)c1Br,0.0
2979,CO-ADD:0278517,19.83,C1(SCC(=O)Nc2ccc(cn2)Cl)=NCCS1,0.0
2980,CO-ADD:0284119,19.83,c1(C(CCC(OC)=O)=O)cc(c2o1)cccc2,0.0
2981,CO-ADD:0283320,19.83,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c3cccs3)\N2CC=C,0.0
2982,CO-ADD:0279175,19.83,C(/C(C)=O)(=N/Nc1cccc(Cl)c1)\Sc2cccc(cccn3)c23,0.0
2983,CO-ADD:0278967,19.83,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)N\N=C(/C)\c2ccccc2O)c3cc(C)cc(C)c3,0.0
2984,CO-ADD:0278719,19.82,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc(c4OC)OCc(cc5)ccc5F)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
2985,CO-ADD:0283553,19.82,N1(C(OCC)=O)N=C(C2C1(O)C(F)(F)F)CCCCC2,0.0
2986,CO-ADD:0278728,19.82,c1(nonc1N)\C(=N/OC)\N(CC2)CCN2c(cc3)c(Cl)cc3[N+](=O)[O-],0.0
2987,CO-ADD:0283714,19.82,c1(ccc2c(c(ccc3)CC2)c13)C(c4ccccc4)=O,0.0
2988,CO-ADD:0283458,19.82,c1(\C(\c2ccccc2)=N\O)oc(c3c1C)ccc4c3OC(=O)C=C4C,0.0
2989,CO-ADD:0283530,19.82,N1(c2ccc(cc2Br)Br)C(=O)CC(N(CC3)CCO3)C1=O,0.0
2990,CO-ADD:0283546,19.82,C(=S)(SCc(cc1)ccc1CSC(=S)N(CC2)CCO2)N(CC3)CCO3,0.0
2991,CO-ADD:0284155,19.81,C(/C#N)(=C/c(ccc1c2ccccc2)o1)\C(=O)Nc3ccccc3O,0.0
2992,CO-ADD:0284132,19.81,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=O)NC1c3ccc(cc3)OCc4ccccc4,0.0
2993,CO-ADD:0279132,19.81,N(C1c2ccc(cc2)Br)(c3noc(C(C)(C)C)c3)C(=O)C(=C1C(c4ccccc4)=O)O,0.0
2994,CO-ADD:0284707,19.81,C(C(c1ccccc1)=O)(C2c3ccc(cc3)OC)=NNC2C(OCC)=O,0.0
2995,CO-ADD:0284780,19.81,c1(nc(c2n1Cc(ccc(c3Cl)Cl)c3)cccc2)\C=C(\c4ccccc4F)/OC(=O)c5ccccc5F,0.0
2996,CO-ADD:0259142,19.8,c1(C#N)c2c(sc1\N=C\c(ccc(c3Cn4cc(cn4)Br)OC)c3)CCCC2,0.0
2997,CO-ADD:0259238,19.8,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2cccc(cccc3)c23,0.0
2998,CO-ADD:0257204,19.8,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c(cc4OC)cc(c4OC)OC,0.0
2999,CO-ADD:0284279,19.8,C1(C2c(cc3)ccc3N(C)C)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
3000,CO-ADD:0279150,19.8,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c3cccs3)\N2C4CCCC4,0.0
3001,CO-ADD:0284816,19.79,C1(NC(=O)Cn2c(C)c(c(C)n2)Br)=C(C)N(N(c3ccccc3)C1=O)C,0.0
3002,CO-ADD:0278218,19.79,S1(=O)(=O)c(cccc2)c2C(Nc(ccc(c3CN(CC)CC)OC(=O)c4ccc(cc4)OC)c3)=N1.Cl,0.0
3003,CO-ADD:0258532,19.79,n1(N)c(C)nnc1N\N=C\c(ccc(c2OC)OCc3ccc(cc3Cl)Cl)c2.Cl.Cl,0.0
3004,CO-ADD:0258365,19.79,C(C(=O)OCC(O)=O)(C1c2ccccc2)C(C1C(O)=O)c3ccccc3,0.0
3005,CO-ADD:0283219,19.79,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2CCc4ccccc4)=O,0.0
3006,CO-ADD:0283252,19.79,c(OC)(c(OC)c1)c(OC)cc1C(=O)O\N=C(/C)\c2ccc(cc2)Cl,0.0
3007,CO-ADD:0284890,19.78,C(C)(NN=C1C(OC)=O)(C2=O)C1C(N2c3cccc(C)c3)=O,0.0
3008,CO-ADD:0278420,19.78,C(C#N)(C(c1ccc(cc1)CC)CC(N2)=O)=C2SCC(=O)Nc3ccccc3,0.0
3009,CO-ADD:0279110,19.78,n1c(c2ccc(cc2)Br)csc1Nc3ccccc3F,0.0
3010,CO-ADD:0277416,19.78,N1(CC)C(=S)NN=C1c2cccc(Br)c2,0.0
3011,CO-ADD:0279087,19.77,C(/C(=O)c1ccc(cc1)Cl)=C(\NCCO)/C(F)(F)F,0.0
3012,CO-ADD:0259991,19.77,C(/C#N)(=C/c(ccc(c12)OCO1)c2)\C(=O)NCc3ccccc3,0.0
3013,CO-ADD:0259071,19.77,c(c1c2ccccc2)(C3c4cccc(cccc5)c45)c([nH]n1)OC(N)=C3C#N,0.0
3014,CO-ADD:0259096,19.77,c1(SCC(=O)N\N=C\c2c(ccc(cccc3)c23)OCc4ccccc4)sc(c5n1)cccc5,0.0
3015,CO-ADD:0257683,19.77,N1(c(cc2)ccc2C(C)=O)C(CC(C)(C)CC3=O)=C3CC4=C1CC(C)(C)CC4=O,0.0
3016,CO-ADD:0257739,19.77,c1(C(F)(F)F)nc(sc1c2ccc(cc2)F)Nc(cc3)ccc3C,0.0
3017,CO-ADD:0257372,19.77,c1(C#N)c2c(sc1\N=C\c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3)CCCC2,0.0
3018,CO-ADD:0258761,19.76,C1(C(=O)OCC(Cl)(Cl)Cl)=C(C)NC(NC1c2cc(OC)ccc2OC)=O,0.0
3019,CO-ADD:0283050,19.76,N1(CCc(cc2)ccc2Cl)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
3020,CO-ADD:0283403,19.76,N1(C2c3c(OC)ccc(cccc4)c34)C(SC(CCC)C1=O)=NC(c5ccccc5)=C2C(OCC)=O,0.0
3021,CO-ADD:0283428,19.76,N1C(=O)\C(\SC1=N)=C\c2cccc(c2)OCc3ccccc3F,0.0
3022,CO-ADD:0283457,19.75,n(c1ccc(cc1)Cl)(c2C)c(C)cc2\C=C(/c3ccc(cc3)Br)\C#N,0.0
3023,CO-ADD:0278322,19.75,N1(C2CCCCC2)C(=O)\C(\SC1=S)=C/c(ccc(c3OC)OCc(cc4)ccc4F)c3,0.0
3024,CO-ADD:0284676,19.75,C(=C(/C=CC=C1)\N1C)(/OC(N2C)=S)\C2=O,0.0
3025,CO-ADD:0257517,19.74,N1(CC(=O)Nc(cccc2C#C)c2)C(=O)c3c(cccc3)C1=O,0.0
3026,CO-ADD:0257429,19.74,C(NCCSCc(cc1)ccc1Cl)(=O)\C=C\c(ccc(c2OC)OC)c2,0.0
3027,CO-ADD:0257821,19.74,C1(C(=O)OC2CCCCCCC2)=C(C)NC(NC1c3ccccc3OC(C)C)=O,0.0
3028,CO-ADD:0257837,19.74,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(OC)c5OCC(O)=O,0.0
3029,CO-ADD:0258047,19.73,C(=S)(c(cc1)cc(c1OC(=O)c2ccc(cc2)OC)OCC)N3CCCCC3,0.0
3030,CO-ADD:0259929,19.73,N1(c2ccccc2)C(=O)\C(=C\c3ccccc3C)\C(NC1=S)=O,0.0
3031,CO-ADD:0284303,19.73,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C(/CC2)\CCC2C(C)(C)C)c3ccccc3[N+](=O)[O-],0.0
3032,CO-ADD:0284321,19.73,C12(c3c(cccc3)C(=NN1c4ccccc4)c5cc(C)ccc5C)SC(=NN2c6ccc(cc6)Br)C(OCC)=O,0.0
3033,CO-ADD:0283887,19.72,N1(CN(CC2)CCN2Cc3ccccc3)c(cccc4)c4\C(=N\c5ccc(cc5C)C)\C1=O,0.0
3034,CO-ADD:0284663,19.72,S(=O)(=O)(c(cccc1C(=O)N2CCCc(cccc3)c23)c1)N(CC4)CCN4c5ccccc5,0.0
3035,CO-ADD:0278052,19.72,N(C(=O)CSc1nc(c2ccccc2)cc(c3ccccc3)n1)(c4c5cccc4)c6c(S5)cccc6,0.0
3036,CO-ADD:0278069,19.72,C(/S\C(\N1CC)=N/c(ccc2c3cccn2)c3)(\C1=O)=C(/Sc(c45)ccc(Cl)c4)\N5C,0.0
3037,CO-ADD:0257383,19.72,c1(C#N)c2c(sc1\N=C\c(ccc(c3OCC)OCc4ccc(cc4Cl)Cl)c3)CCCC2,0.0
3038,CO-ADD:0257407,19.71,c1(C2c3ccccc3)c(CCN2C(=O)c4cccc(C)c4)c5c(cccc5)[nH]1,0.0
3039,CO-ADD:0284681,19.71,C(/c1c(N2)ccc(Br)c1)(\C2=O)=C(/C#N)\C(N)=O,0.0
3040,CO-ADD:0278516,19.71,c1(SCC(OCC(=O)Nc2ccccc2C#N)=O)oc(c3n1)cccc3,0.0
3041,CO-ADD:0284416,19.71,c(C#N)(c(\C(\C#N)=C\c(cc1OC)cc(c1OCC#N)Br)nn2c3ccccc3)c2N,0.0
3042,CO-ADD:0278077,19.71,C(/c1c2cccc1)(=C(/C#N)\C(OCC)=O)\C(Cl)=C2Cl,0.0
3043,CO-ADD:0277991,19.71,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)OC(c4ccccc4)=O)\N2CCO.Br,0.0
3044,CO-ADD:0257439,19.7,C1(NC(=O)CN(c2ccc(cc2)OC)S(c3ccccc3)(=O)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
3045,CO-ADD:0257799,19.7,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(cc4)ccc4C(C)C)\C1=O,0.0
3046,CO-ADD:0257807,19.7,N1C(=O)\C(\SC1=N)=C\c(cc2)cc(c2Oc3ccc(cc3[N+](=O)[O-])C(F)(F)F)OC,0.0
3047,CO-ADD:0283651,19.7,S(=O)(=O)(c(ccc(c1C(=O)Nc2ccccc2C(O)=O)C)c1)N(CC3)CCO3,0.0
3048,CO-ADD:0277428,19.7,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc4)ccc4Cl)\C1=O)=NC(C)=C2C(C)=O,0.0
3049,CO-ADD:0283548,19.7,N1(c(ccc(c2NC(=O)c3ccc(cc3Cl)Cl)OC)c2)C(=O)c(c4C1=O)ccc(C(O)=O)c4,0.0
3050,CO-ADD:0283405,19.7,c(NC(C)=O)(sc(c1c2ccc(cc2)OC)c3ccc(cc3)OC)n1,0.0
3051,CO-ADD:0278055,19.69,c1(NC(COC(CSc2nc(c3ccccc3)cc(c4ccccc4)n2)=O)=O)sc(c(ccc5C(OC)=O)n1)c5,0.0
3052,CO-ADD:0277727,19.69,N12C(SC(CCC)C1=O)=NC(C)=C(C(C)=O)C2c3c(OC)ccc(cccc4)c34,0.0
3053,CO-ADD:0278080,19.69,C(=C\c(ccc1c(cc2)c(C)c(c2[N+](=O)[O-])C)o1)(/C3=O)\Sc(c34)cccc4,0.0
3054,CO-ADD:0257839,19.69,C1(C(OCCSC)=O)=C(C)NC(=O)NC1c2ccc(cc2)Cl,0.0
3055,CO-ADD:0259243,19.69,C(OC(N)=C(C1c2ccccc2F)C#N)(NC(=O)NC3=O)=C13,0.0
3056,CO-ADD:0284617,19.69,c1(c2c3c(cccc3)c(c(cccc4)c24)Cl)[nH]c(c(c5ccc(cc5)Br)n1)c6ccc(cc6)Br,0.0
3057,CO-ADD:0284354,19.69,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)NCC(C)C)c1Br,0.0
3058,CO-ADD:0284386,19.68,c(c(C)cc(c12)c(C(C)C)c(c(O)c1\C=N\NC(c3ccccc3)=O)O)(c2O)c(c(C)cc(c45)c(C(C)C)c(c(O)c4\C=N\NC(c6ccccc6)=O)O)c5O,0.0
3059,CO-ADD:0278355,19.68,c1(S(CCC)(=O)=O)c(C(=O)c2cc(C)ccc2C)n(c3c1S(CCC)(=O)=O)cc(cc3C)C,0.0
3060,CO-ADD:0277576,19.68,C1(C#N)=C(SCC(OCc2ccccc2)=O)NC(=O)CC1c3ccccc3Cl,0.0
3061,CO-ADD:0277657,19.68,c12c(nnc(SC(CC)C(=O)Nc3sc(c4c3C#N)CCCC4)n1)c5c(cccc5)n2CCc6ccccc6,0.0
3062,CO-ADD:0277665,19.68,n1(nnc(C(OC)=O)c1CSc2nncn2C)c3nonc3N,0.0
3063,CO-ADD:0257425,19.68,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)OC)CC(=O)NC(C)(C)C,0.0
3064,CO-ADD:0257978,19.68,N1(c2ccc(cc2)I)C(=O)\C(\SC1=S)=C\c(cc3)ccc3OC,0.0
3065,CO-ADD:0277444,19.67,N1(C(=O)c2ccccc2Cl)C(O)(c3ccc(cc3)F)CC(C(F)(F)F)=N1,0.0
3066,CO-ADD:0278356,19.67,C(/S(CCC)(=O)=O)(\C(Cl)S(CCC)(=O)=O)=C(\[n+]1ccccc1)/C(=O)c2ccc(cc2C)C,0.0
3067,CO-ADD:0284273,19.67,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc(OCO3)c3c4)c4Br)\N2C5CCCCC5,0.0
3068,CO-ADD:0283154,19.67,C1(C(=O)c2ccc(cc2)C)=C(O)C(NC1c3ccccc3)=O,0.0
3069,CO-ADD:0277699,19.67,C(/C(=O)C(C)(C)C)=C(/N)\c1ccccn1,0.0
3070,CO-ADD:0259752,19.66,c1(cccc(cccc2)c12)NC(CSc3cccc(cccn4)c34)=O,0.0
3071,CO-ADD:0259442,19.66,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)C(CC)Sc4nncn4C,0.0
3072,CO-ADD:0259340,19.66,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c2cccc(Cl)c2,0.0
3073,CO-ADD:0257826,19.66,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cccc(OC)c4OCC(O)=O,0.0
3074,CO-ADD:0257403,19.66,[N+](=O)([O-])c(c(CCO)c(N)cc1[N+](=O)[O-])c1,0.0
3075,CO-ADD:0283237,19.66,C(C#N)(C1c(cc2)ccc2N(C)C)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
3076,CO-ADD:0278397,19.66,S(N)(=O)(=O)c1ccc(cc1)NC(CSCCOC(=O)c2ccco2)=O,0.0
3077,CO-ADD:0278846,19.65,C(/S\C(\C1=O)=C/c2cccc(OC)c2OCc3ccc(cc3Cl)Cl)(=N\C(C)=O)\N1,0.0
3078,CO-ADD:0283533,19.65,C(=O)(c1cccc(c1)C#Cc2ccccc2)N(CC3)CCN3c4ccccc4OC,0.0
3079,CO-ADD:0279078,19.65,C1(C2c3cccs3)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
3080,CO-ADD:0284775,19.64,C(=O)(Nc1cc(OC)nc(OC)n1)c2c(cccc2F)F,0.0
3081,CO-ADD:0283793,19.64,n1(c(ccc2C(F)(F)F)nnc1c3ccccc3F)c2,0.0
3082,CO-ADD:0259806,19.64,C1(C(=O)OCc2ccco2)=C(C)NC(NC1c3ccccc3OC(C)C)=O,0.0
3083,CO-ADD:0260038,19.64,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4)cc(c4OC(C)C)OC)\C1=O,0.0
3084,CO-ADD:0259359,19.64,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2ccc(cc2)C,0.0
3085,CO-ADD:0259751,19.64,n1(C)cnnc1SCC(=O)Nc(ccc(c2C)Cl)c2,0.0
3086,CO-ADD:0257515,19.64,N(c1cccc(Cl)c1)(C(c(cc2)ccc2C(C)(C)C)C=C3Nc4cccc(Cl)c4)C3=O,0.0
3087,CO-ADD:0257547,19.63,C(\C=C(\C)/C)(=C(O)N=C(N12)C=CC=C1)C2=O,0.0
3088,CO-ADD:0258003,19.63,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C(/C)\c4ccc(cc4)OC,0.0
3089,CO-ADD:0257721,19.63,C(=O)(Nc(cc1)ccc1OC)C2C3CCCC2C3c4ccccc4,0.0
3090,CO-ADD:0257257,19.63,c1(C(=O)NNC(=O)c2ccc(cc2)F)c(Cl)c3c(cccc3)s1,0.0
3091,CO-ADD:0278418,19.62,C1(C#N)=C(SCCC)NC(=O)CC1c2ccccc2OC,0.0
3092,CO-ADD:0279036,19.62,C1(C2C3=C(CC(C)(C)CC3=O)OC(CC(C)(C)CC4=O)=C24)=C(C)N(N(C)C1=O)c5ccccc5,0.0
3093,CO-ADD:0259785,19.62,N1(C2CCCCC2)C(=S)NN=C1c3ccc(cc3)OCC,0.0
3094,CO-ADD:0260041,19.62,C(/C(C)=NN1c2cccc(Cl)c2)(=C/c(cn(n3)Cc4ccc(cc4Cl)Cl)c3c5ccccc5)\C1=O,0.0
3095,CO-ADD:0260065,19.62,N12C(S\C(=C/c(cc3)ccc3N(CC)CC)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)c(cc4Br)OC,0.0
3096,CO-ADD:0258352,19.62,c12c(n(c(SCC(OC)=O)n1)C)C(N(C)C(=O)N2C)=O,0.0
3097,CO-ADD:0258326,19.62,S(=O)(=O)(N(CCCC1C(=O)N(CC)CC)C1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c(cc3)ccc3OC,0.0
3098,CO-ADD:0259125,19.61,c(C(N)=O)(sc(c12)nc(c(C)c1C)C)c2N,0.0
3099,CO-ADD:0258373,19.61,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCc(cc5)ccc5C(C)(C)C)c3)sc(c6n1)cccc6,0.0
3100,CO-ADD:0283812,19.61,S(=O)(=O)(N1CCCCC1)c2csc(C(=O)Nc(cc3)ccc3F)c2,0.0
3101,CO-ADD:0283860,19.61,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4cccc(OC)c4OC,0.0
3102,CO-ADD:0284474,19.61,N1(CCC(=O)Nc2cccc(Cl)c2)C(=O)c(c3C1=O)cccc3,0.0
3103,CO-ADD:0284564,19.61,S(=O)(=O)(N1CCCCC1)c2c(C)ccc(c2)C(=O)Nc3sc(c(C)c3C(OCC)=O)C(OCC)=O,0.0
3104,CO-ADD:0258368,19.61,c1(Sc2ccc(\C=N\NC(=O)c(cccc3[N+](=O)[O-])c3)o2)sc4c(ccc(OCC)c4)n1,0.0
3105,CO-ADD:0258504,19.6,n12c(nnc1c3ccccc3C)nc(C)c(CC)c2O,0.0
3106,CO-ADD:0258600,19.6,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)N\N=C\c(cc2)cc(c2Oc(cc3)ccc3[N+](=O)[O-])OC,0.0
3107,CO-ADD:0284909,19.6,C(C(C)=O)(C1c2ccc(cc2)Cl)=C(O)C(N1c(cccn3)c3)=O,0.0
3108,CO-ADD:0284430,19.6,n1(cnc2c3ncn2)c3scc1c4ccc(cc4)Br,0.0
3109,CO-ADD:0284596,19.6,n1(CC(=O)OCC(c2ccccc2)=O)c(c3ccccc3)cc4c1CC(C)(C)CC4=O,0.0
3110,CO-ADD:0283848,19.6,N(\C(=C/c(cc1)ccc1OCc2ccccc2Cl)\C(O3)=O)=C3c4ccc(cc4)F,0.0
3111,CO-ADD:0283222,19.6,C(C(OC)=O)(C(C)(O)CC(C1C(OC)=O)=O)C1c(cc2)ccc2C(C)C,0.0
3112,CO-ADD:0258544,19.6,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Nc(cc4)ccc4C(C)=O,0.0
3113,CO-ADD:0258371,19.6,[N+](=O)([O-])c1cc(ccc1Sc2nnc(C)s2)\C=N\c(ccc(c3s4)nc4SCC(=O)Nc5ccccc5F)c3,0.0
3114,CO-ADD:0258539,19.59,C1(C(OCC)=O)=C(C)NC(NC1c2cccc(cccc3)c23)=S,0.0
3115,CO-ADD:0284271,19.59,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4ccccc4Cl)c3)\N2C5CCCCC5,0.0
3116,CO-ADD:0258582,19.59,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3cccs3)c4sc(c5c4C#N)CCCC5,0.0
3117,CO-ADD:0258518,19.59,C1(=O)Nc(c2N1)ccc(c2)\N=C\c(cc3)ccc3N(C)C,0.0
3118,CO-ADD:0258622,19.59,C1(C(OCCSC)=O)=C(C)NC(NC1c2cccc(OC)c2)=O,0.0
3119,CO-ADD:0283261,19.59,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc2nc(C)cc(C)n2,0.0
3120,CO-ADD:0258609,19.59,C(C1)(CN(C2)CN3CN12)(C3)\C(\c4ccc(cc4)Cl)=N/N=C/c5cccc(OC)c5,0.0
3121,CO-ADD:0236443,19.59,[nH]1c(C)nnc1SCC(=O)Nc2ccc(cn2)Br,0.0
3122,CO-ADD:0235981,19.59,C1(N(c2ccccc2)CCN1c3ccccc3)c4cccc(OC)c4O,0.0
3123,CO-ADD:0233535,19.58,c1(c(Br)cc(cc1\C=N\NC(=O)c(c2)cc(cn2)Br)Br)OC(c3ccccc3)=O,0.0
3124,CO-ADD:0149444,19.58,c(OC)(cc1C#N)c(OC(=O)N2)c2c1,0.0
3125,CO-ADD:0149401,19.58,c(OC)(c(c1c(c(cc2)ccc2OC)[nH]nn1)c3)c(OCO4)c4c3OC,0.0
3126,CO-ADD:0149409,19.58,C(#N)C(=C(N)Oc(cc1O)c2cc1)C2c3cc([N+](=O)[O-])c(OCCO4)c4c3,0.0
3127,CO-ADD:0149504,19.58,c(C(=O)C1OC1c(cc2)ccc2OC)(c3Br)cc(OC)c(OC)c3,0.0
3128,CO-ADD:0149466,19.58,c1(C(=O)O)c(c(cc2)ccc2)n(c(cc3Cl)ccc3)nn1,0.0
3129,CO-ADD:0137895,19.57,COC1=C2C(OCO2)=C(OC)C(CC3ON=C(C4=CC=C(F)C=C4)C3)=C1Br,0.0
3130,CO-ADD:0149403,19.57,c(OC)(cc1c2nc(Cc(cc3)ccc3OC)no2)ccc1,0.0
3131,CO-ADD:0149419,19.57,c(C1C(C#N)=C(N)Oc(cc2O)c1cc2)(c(OC)c3)c(OC)cc3OC,0.0
3132,CO-ADD:0149014,19.57,C(c(n1)[nH]c(c12)cccc2NC(c3ccc(Br)cc3F)=O)(F)(F)F,0.0
3133,CO-ADD:0149038,19.57,c1(c2c(C(C(=O)Nc3ccncc3)=O)cn1Cc4ccc(Cl)cc4)cccc2,0.0
3134,CO-ADD:0149046,19.57,c(cc1c(C(OCC1)c2cc(OCO3)c3cc2)c4)(OC)c4OC,0.0
3135,CO-ADD:0149054,19.57,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)ccc(C(F)(F)F)c4)c2)cc1,0.0
3136,CO-ADD:0149372,19.56,c(C(C#N)C(=O)c(cc1)ccc1OC)(c2)c(OC)c(OCO3)c3c2OC,0.0
3137,CO-ADD:0149059,19.56,c1(c2c([nH]c1)cccc2)C(=O)C(=O)NCc(cc3)ccc3Cl,0.0
3138,CO-ADD:0148899,19.56,c1(nc(c2n1Cc3cccc(F)c3)cccc2)c4nonc4N,0.0
3139,CO-ADD:0149293,19.56,c(C(CC1)CCN1)(nc2c(cc3OC)ccc3OC)[nH]c2.Cl.Cl,0.0
3140,CO-ADD:0149339,19.56,c(cc(O)cc1)(c1C2c(cc3)cc4c3OCO4)NC(=O)C2,0.0
3141,CO-ADD:0149312,19.56,c(c1\C=C/c(cc2O)ccc2OC)c(OC)c(OC)c(OC)c1OC,0.0
3142,CO-ADD:0149336,19.56,c(cc(O)cc1)(c1C2c(cc3)cc(OC)c3)NC(=O)C2,0.0
3143,CO-ADD:0137901,19.55,COC1=CC(C2C(C#N)=C(N)SC(N)=C2C#N)=C(OC)C3=C1OCO3,0.0
3144,CO-ADD:0149023,19.55,c1(c2nc(C(F)(F)F)[nH]1)c(NC(c(c3)c(Cl)ccc3Cl)=O)ccc2,0.0
3145,CO-ADD:0234904,19.55,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2cccc(F)c2)=O)Br)OC(c3ccccc3)=O,0.0
3146,CO-ADD:0149280,19.55,c(cc1N(CC)CC)(OC(N)=C(C#N)C2c(cc3OC)cc4c3OCO4)c2cc1,0.0
3147,CO-ADD:0234875,19.55,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(CNc3ccccc3C)=O,0.0
3148,CO-ADD:0149031,19.55,c1(c2c([nH]c1)cccc2)C(=O)C(=O)Nc3cccc(OC)c3,0.0
3149,CO-ADD:0149100,19.55,c12c(Oc3c(ccc(c3)O)C1c4ccc(c(OC)c4)OC)nc(N)c(C#N)c2N,0.0
3150,CO-ADD:0148756,19.54,c1(OC)ccc(n(c(c2C3c(cc4OC)ccc4OC)NC(=O)C3)cn2)cc1,0.0
3151,CO-ADD:0149180,19.54,C(C1ON=C(c(c2)ccc(Cl)c2)C1)c(c3Br)c(OC)c(OC)c4c3OCO4,0.0
3152,CO-ADD:0148755,19.54,c1(OC)ccc(n(c(c2C3c(c(OC)c(OCO4)c45)cc5OC)NC(=O)C3)cn2)cc1,0.0
3153,CO-ADD:0149163,19.54,c(c1F)c([nH]2)c(c(C(=O)C(=O)Nc(c3)cc(OC)c(OC)c3OC)c2)cc1,0.0
3154,CO-ADD:0234925,19.54,c1(cc(cc(OC)c1OCC(=O)N\N=C\c2cccc(cccc3)c23)[N+](=O)[O-])[N+](=O)[O-],0.0
3155,CO-ADD:0233314,19.54,C(=N/O)(/c1c(c23)c(ccc1)ccc2)\N3,0.0
3156,CO-ADD:0233718,19.53,C(=O)(c1ccc(cc1)OCCNC)N(CC2)CCC2c(o3)c(C)cn3.Cl,0.0
3157,CO-ADD:0233698,19.53,c1([nH]nc(C(CC2)CCN2C(=O)[C@H]3CCCN3)c1)C(F)(F)F.Cl,0.0
3158,CO-ADD:0148911,19.53,c12c(cc(Br)c(cccc3)c13)C(CC(=O)N2)c(cc4OC)cc(c4OC)Br,0.0
3159,CO-ADD:0148879,19.53,c1(nc(c2n1Cc(nc3N)nc(n3)N)cccc2)c4nonc4N,0.0
3160,CO-ADD:0148988,19.52,n1c(c2ccc(c(OC)c2)OC)csc1Nc(cc3)ccc3OC,0.0
3161,CO-ADD:0148929,19.52,c12c(CCNC1c(cc3OC)cc(c3OC)OC)cc(c(OCC)c2)OCC,0.0
3162,CO-ADD:0234991,19.52,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc2ccccc2C)=O)c3cccc(F)c3,0.0
3163,CO-ADD:0227538,19.52,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c4cc(C)cc(Br)c4O,0.0
3164,CO-ADD:0149103,19.51,c1(c(nn2)oc2Nc(c3)cc(OCO4)c4c3)cc(cccc5)c5nc1N,0.0
3165,CO-ADD:0149135,19.51,C1COc2c(O1)cc(NC(=O)C(=O)c(c(cc3Br)c(n4Cc(cc5)ccc5Cl)cc3)c4)cc2,0.0
3166,CO-ADD:0149167,19.51,c(c(n1)C)(C(c(cc(OC)c2O)cc2OC)CC(=O)N3)c3n1c(ccc(n4)Cl)n4,0.0
3167,CO-ADD:0148827,19.51,c(OC=C(c(cc(OC)c(OC)c1OC)c1)C2=O)(c23)cc(OC)c(OC)c3,0.0
3168,CO-ADD:0148901,19.51,C1(=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=S)C(=O)Nc(cc3)ccc3OC,0.0
3169,CO-ADD:0149345,19.5,c1(c2cc(c(c3)c(OC)ccc3)[nH]1)cc([N+](=O)[O-])cc2O,0.0
3170,CO-ADD:0148848,19.5,C1(C(OCC)=O)=C(C)NC(=S)NC1c2ccc(cc2)O,0.0
3171,CO-ADD:0149109,19.5,N([C@@H](c1cccs1)[C@H](N2)c3cccs3)=C2c4cccs4,0.0
3172,CO-ADD:0148741,19.5,C(=O)(N(CCc1c(cc(C)c2)c(c2)[nH]c1)C(O)(C)C3(C)CC)O3,0.0
3173,CO-ADD:0148680,19.5,c1(c[nH]n2)c2NC(=O)CC1c(cc(OC)c(c34)OCO3)c4OC,0.0
3174,CO-ADD:0149000,19.49,c1(nc(c2n1CC(=O)Nc(cc3OC)cc(c3OC)OC)cccc2)c4nonc4N,0.0
3175,CO-ADD:0233528,19.49,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(c2)cc(cn2)Br)c3ccccc3Br,0.0
3176,CO-ADD:0234751,19.49,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2C)N(CC3)CCN3CCO,0.0
3177,CO-ADD:0149174,19.49,c1(N)sc(c(cc2)ccc2OC)c(c(cc3)ccc3OC)n1,0.0
3178,CO-ADD:0148807,19.49,c1noc(c(cc(OC)c(OC)c2OC)c2)c1c(ccc(OC)c3)c3,0.0
3179,CO-ADD:0148800,19.49,c1(c2c(N)c(C(c(c3)ccc(OCC4)c3O4)=O)s1)nc(C)cc2C,0.0
3180,CO-ADD:0149184,19.49,c(c1)c([nH]2)c(c(C(=O)C(Nc(cc3)cc(OC)c3OC)=O)c2)cc1,0.0
3181,CO-ADD:0149198,19.49,C(CC(O1)Cc(cc2OC)cc(c23)OCO3)(C(N)=O)=N1,0.0
3182,CO-ADD:0149214,19.49,s1c(C(c2cccc(F)c2)CC(=O)N3)c3c(c1)c4ccc(OC)c(c4)OC,0.0
3183,CO-ADD:0149222,19.48,c12c(cc(cc1OC)\C=C\C(O)=O)OCO2,0.0
3184,CO-ADD:0148656,19.48,c1(F)ccc(n(c(c2C3c(cc(OCO4)c45)c(OC)c5OC)NC(=O)C3)cn2)cc1,0.0
3185,CO-ADD:0149338,19.48,c(cc(O)cc1)(c1C2c(cc3)cc(Cl)c3)NC(=O)C2,0.0
3186,CO-ADD:0227690,19.48,n1(c(C)c(nn1)\C(\C)=N\O)c2nonc2N,0.0
3187,CO-ADD:0149263,19.48,COc(c(c(OC)cc1C(c(c2N3)nn(c2)C)C(=C3C4)C(O4)=O)OC)c1,0.0
3188,CO-ADD:0137812,19.48,COC1=C(OCO2)C2=C(OC)C3=C1C=CC=C3C4=CC=C(OC)C=C4,0.0
3189,CO-ADD:0149381,19.48,C(=O)(c1c(c2ccc1NCCCO)C3=CC(=O)N2C)c(cc4)c3cc4,0.0
3190,CO-ADD:0149305,19.47,COc(ccc(C(C(c1cc(OCO2)c2c(OC)c1OC)=O)C#N)c3)c3,0.0
3191,CO-ADD:0148639,19.47,s1c(Nc2ccccc2)nc3c1C(c4c(OC)c(O)c(O)c(OC)c4)CC(N3)=O,0.0
3192,CO-ADD:0149310,19.47,c(c1\C=C\c(ccc(OC)c2O)c2)c(OC)c(OCO3)c3c1,0.0
3193,CO-ADD:0148653,19.47,c1c(C(F)(F)F)cc(n(c(c2C3c(c(OC)c(OCO4)c45)cc5OC)NC(=O)C3)cn2)cc1,0.0
3194,CO-ADD:0148897,19.47,C1(C(OC)=O)=C(C)NC(NC1c(ccc(c23)OCO2)c3)=S,0.0
3195,CO-ADD:0148652,19.47,c(OC1)(c(OC)cc2\C=C\C(=O)C)c(O1)c2OC,0.0
3196,CO-ADD:0148669,19.47,c12c(C(CC(=O)N1)c3ccc(cc3)OC)snc2c4cccc(F)c4,0.0
3197,CO-ADD:0149106,19.47,n1c(c(ccn2)cc2)[nH]c(c(ccn3)cc3)c1c(ccn4)cc4,0.0
3198,CO-ADD:0149042,19.47,n(nc1c(ccc2)cn2)c(S)n1c(c3)ccc4c3OCCO4,0.0
3199,CO-ADD:0148618,19.47,c1(OC)c(OC)c(CC(CC(=N2)c3ccc(OC)cc3)O2)cc(OC)c1OC,0.0
3200,CO-ADD:0148768,19.46,c1(c2OC)c(C(CC)C(C)C1c3cc(OC)c4c(OCO4)c3OC)c(OC)c5c2OCO5,0.0
3201,CO-ADD:0148905,19.46,c1(c(C)nc(cccc2)n12)c3csc(Nc4ccc(cc4C)C)n3.Br,0.0
3202,CO-ADD:0148825,19.46,C(=O)(C(c(cc1)ccc1OC)=CO2)c(cc3O)c2cc3OC,0.0
3203,CO-ADD:0148924,19.46,N1(c2ccc(cc2)NC(C)=O)C(c3ccc(cc3)OC)Nc(c4C1=O)cccc4,0.0
3204,CO-ADD:0148868,19.45,c1(ccccc1NC(=O)c2cccc(c2)NC(C)=O)C(O)=O,0.0
3205,CO-ADD:0148972,19.45,c1(c(ccc2c(ccc(OCCO3)c34)c4)OCCO1)c2,0.0
3206,CO-ADD:0229027,19.45,S(=O)(=O)(Nc(cccc1C(F)(F)F)c1)c2c(C(C)C)cc(cc2C(C)C)C(C)C,0.0
3207,CO-ADD:0236461,19.45,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c3ccc(cc3)F)c4nonc4N,0.0
3208,CO-ADD:0236013,19.44,c1(NC(CSc2nccn2C)=O)sc(c3c1C(OCC)=O)CCC3,0.0
3209,CO-ADD:0234942,19.44,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(cc(Cl)cc2Br)c2O)[N+](=O)[O-])[N+](=O)[O-],0.0
3210,CO-ADD:0149241,19.44,s1cc(C(CC(=O)N2)c(snc3c4ccc(cc4)Cl)c23)cc1,0.0
3211,CO-ADD:0149441,19.44,c1c(OC)c(OCCO2)c2cc1C(Nc(ccc(OC)c3)c3)=O,0.0
3212,CO-ADD:0149199,19.44,C(C(OCC)=O)(C1C)=NOC1c(cc(OCO2)c2c3OC)c3OC,0.0
3213,CO-ADD:0149508,19.43,c(C(=O)C1OC1c(cc2OC)ccc2)(c3Br)cc(OC)c(OC)c3,0.0
3214,CO-ADD:0149213,19.43,c(ccc(c12)NC(c3cc(OC)c(OC)c(OC)c3)N(c(ccc4c5OCO4)c5)C1=O)c2,0.0
3215,CO-ADD:0149278,19.43,c1(OC)ccc(n(c(c2C3c(cc4)ccc4OC)NC(=O)C3)cn2)cc1,0.0
3216,CO-ADD:0149494,19.42,c(cc1OC)(OC(N)=C(C#N)C2c(cc3OC)ccc3)c2cc1,0.0
3217,CO-ADD:0149518,19.42,COc(c1OC)c(Br)cc(C(=O)Cc2ccc(OC)cc2)c1,0.0
3218,CO-ADD:0149481,19.42,c(OC)(cc1C(C#N)C(=O)c(ccc(OC)c2)c2)c(OC)c(OC)c1,0.0
3219,CO-ADD:0149250,19.42,c1(c2ccc(cc2O)OC)n[nH]c(C)c1c3ccccc3OC,0.0
3220,CO-ADD:0149442,19.42,COc1cc(C2C(C(=O)OC3)=C3Nc(cc4OC)c2cc4)cc(OC)c1OC,0.0
3221,CO-ADD:0149445,19.42,n(c1c(c2c3cc(OCO4)c4c(OC)c3)SC(N1)=O)c(c25)N(NC5=O)C(C)C,0.0
3222,CO-ADD:0149277,19.42,c(OC1)(c(OC)c(N)c2C(=O)N)c(O1)c2OC,0.0
3223,CO-ADD:0149429,19.42,c(cc1OC)(OC(N)=C(C#N)C2c(cc3OC)cc(OC)c3)c2cc1,0.0
3224,CO-ADD:0149424,19.42,c(C1c(c2N)c(nc(N)c2C#N)Oc(cc3O)c1cc3)(cc4)c(OC)c(OC)c4,0.0
3225,CO-ADD:0149248,19.41,c(c(cc1)ccn1)(cc2)nc3c2c(N)c(C(c(cc4)cc(OCO5)c45)=O)s3,0.0
3226,CO-ADD:0137837,19.41,O=S(C1=CSC(C(C2)C3=CC(OC)=C(OC)C(OC)=C3)=C1NC2=O)(C(C=C4)=CC=C4Cl)=O,0.0
3227,CO-ADD:0328870,19.41,C1(=C(Nc(cc2)ccc2OC)C(c(cccc3)c3C1=O)=O)n4c5c(nn4)cccc5,0.0
3228,CO-ADD:0328910,19.41,S1(=O)(=O)c2c(c3N1CC(=O)NC(C)(CC)C#C)c(ccc2)ccc3,0.0
3229,CO-ADD:0328150,19.41,S(=O)(=O)(N(CC1)CCC1C(=O)Nc(cc2)ccc2C)c3ccc(c4c3cccn4)OC,0.0
3230,CO-ADD:0329538,19.41,S(=O)(=O)(NC(c1ccccc1)CC(O)=O)c2cccs2,0.0
3231,CO-ADD:0329578,19.41,[N+](=O)([O-])c(cccc1C(CC(OCC)=O)NC(=O)c2ccccc2F)c1,0.0
3232,CO-ADD:0327525,19.41,COc(cccc1N(N=NN2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S)c1,0.0
3233,CO-ADD:0328655,19.4,S(=O)(=O)(c1ccc(cc1)Cl)c(cccc2S(NCCC(CC3CC4CC5C3)(C5)C4)(=O)=O)c2,0.0
3234,CO-ADD:0328735,19.4,n1(c2c(C)cccc2C)nnnc1C3(CCCCC3)NCCc(c4C)c(c(Cl)ccc5Cl)c5[nH]4,0.0
3235,CO-ADD:0328656,19.4,S(c1ccccc1)(=O)(=O)c(cc2)ccc2C(NCCC(CC3CC4CC5C3)(C4)C5)=O,0.0
3236,CO-ADD:0328680,19.4,S(NCCC(C1)(C2)CC(C3)CC1CC23)(=O)(=O)c4ccc(cc4)Oc(cc5)ccc5[N+](=O)[O-],0.0
3237,CO-ADD:0328257,19.4,n(c1c(N)cc(c(C)c1)C)(c2C)c(C)c(c2c(C)nn3)c3C,0.0
3238,CO-ADD:0328634,19.4,C(C(OC)=O)(CC(=C)c1ccccc1)(C(F)(F)F)NS(c2ccccc2)(=O)=O,0.0
3239,CO-ADD:0328258,19.39,c([nH]c(c1O)c2cc(OC)ccc2OC)(C3=O)c1N(C(=O)N3C)C,0.0
3240,CO-ADD:0329540,19.39,S(=O)(=O)(N(CC1)CCO1)c(cc2)c3c(c2SC4=O)c4ccc3,0.0
3241,CO-ADD:0328045,19.39,c12c(nnc(SCc(ccc(c3n4)no4)c3)n1)c(c5n2C)cc(cc5)Br,0.0
3242,CO-ADD:0327909,19.39,N(c1c(N2S(=O)(=O)c3ccc(cc3)OC)cccc1)(S(=O)(=O)c4ccc(cc4)OC)C2=O,0.0
3243,CO-ADD:0325970,19.38,C12(c3c(cccc3)C(C(C1C4=O)C(N4c5ccc(cc5)O)=O)c(cccc6)c26)[N+](=O)[O-],0.0
3244,CO-ADD:0326307,19.38,c1(N(CC2)CCN2C(=O)c3c4c(cs3)CCCC4)oc(c5n1)cccc5,0.0
3245,CO-ADD:0326363,19.38,C12=C(OC1c3cc(ccc3N(CC4)CCO4)[N+](=O)[O-])OC(C)(C)OC2=O,0.0
3246,CO-ADD:0326387,19.38,c1(c(NCCCC)c(Cl)c(nc1Cl)Cl)C(=O)Nc2c(Cl)ccc(Cl)c2,0.0
3247,CO-ADD:0326011,19.38,C(=O)(Nc1cc(OC)c(cc1Cc2nccc(cc(c(OC)c3)OC)c23)OC)c4ccccc4SC,0.0
3248,CO-ADD:0326107,19.38,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])Oc(c3NC2=O)ccc(Cl)c3,0.0
3249,CO-ADD:0327206,19.38,c1(C(NCCc(c2c([nH]3)cccc2)c3C)c4ccc(cc4Cl)Cl)nnnn1c5ccc(cc5)OC,0.0
3250,CO-ADD:0329215,19.38,c(c(F)c1F)(c(F)c(n1)F)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C,0.0
3251,CO-ADD:0327826,19.38,c1([C@H]([C@](C)(C(C)(C)[C@@H]23)CC2)C3)cc(C(=O)C)c(O)cc1O,0.0
3252,CO-ADD:0327418,19.38,N1(c2cccc(c2)[N+](=O)[O-])C(c3ccccc3OC)C(C1=O)Oc4ccccc4,0.0
3253,CO-ADD:0326206,19.38,N1(c2cccc(OC)c2)C(=O)CC(c3c4c([nH]c3)cccc4)C1=O,0.0
3254,CO-ADD:0326715,19.38,N1(\N=C\c(ccc(c23)OCO2)c3)C(C)=NN=C(c4ccccc4)C1=O,0.0
3255,CO-ADD:0326668,19.38,c1(c(cccn2)c2)cc(c(cc3OCC)cc(c3O)Br)nc(ccc(cccc4)c45)c15,0.0
3256,CO-ADD:0326213,19.37,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c3ccccc3)\NC(=O)c4ccccc4Cl)c1C,0.0
3257,CO-ADD:0328506,19.37,N1(c(cc2)ccc2S(N)(=O)=O)C(=O)N(N(C)C1=O)C,0.0
3258,CO-ADD:0329011,19.37,c1(scc(c2ccc(cc2)F)n1)N(CC3)CCC3(C(N)=O)N4CCCCC4,0.0
3259,CO-ADD:0328851,19.37,N1c(ccc(c2)C(OCCCC)=O)c2C3C(CC=C3)C1C(O)=O,0.0
3260,CO-ADD:0325951,19.37,c1(C(OCC)=O)c2c(sc1NC(=O)C3CC(OC34CCCCC4)=O)COC(C)(C)C2,0.0
3261,CO-ADD:0327490,19.37,c(NC(=O)Cn1nnc(c2ccc(cc2)C)n1)(c(C(N)=O)nn3c4ccccc4)n3,0.0
3262,CO-ADD:0328500,19.37,c1(CN2CCCCC2)cc(oc1C(C)(C)C)C(O)=O.Cl,0.0
3263,CO-ADD:0326045,19.37,c(cc1)ccc1S(=O)(=O)NC(c2ccc(Cl)cc2)C(O)=O,0.0
3264,CO-ADD:0326477,19.37,[nH]1c(cccc2)c2c3c1ccc(c3)C(=O)NCC(CO)O,0.0
3265,CO-ADD:0326190,19.36,n1(c2c(n3)cccc2)c3SC(C(=O)Nc(cc4)ccc4CC)=CC1=O,0.0
3266,CO-ADD:0326198,19.36,P(=O)(N(CC)CC)(Oc1c(c2ccc1)cc(cc2)O3)Oc4c(c5ccc4)cc(cc5)OP3(=O)N(CC)CC,0.0
3267,CO-ADD:0329541,19.36,S(=O)(=O)(c1ccc(cc1C)C)N(C(C)=O)c(ccc(c23)oc(CCCC4)c24)c3,0.0
3268,CO-ADD:0329557,19.36,S(=O)(=O)(c1ccc(cc1)OCC)NC(c2ccc(cc2)OC)CC(OCC)=O,0.0
3269,CO-ADD:0326417,19.36,C(C)(C)(C(=O)OC(C1(C)C)C(=O)c2ccc(cc2)CC)C1=O,0.0
3270,CO-ADD:0326441,19.36,C12(CC(CC(C3)C1)CC3C2)C(C(=O)c(cc4)ccc4n5cccc5)C(=O)C(F)(F)F,0.0
3271,CO-ADD:0328434,19.35,C(F)(F)(F)Oc(cc1)ccc1NC(=O)CN2CCCCC2.Cl,0.0
3272,CO-ADD:0328082,19.35,c(C(=O)Nc1cc(on1)C)(c(N)c(c2Nc3ccccc3)C#N)s2,0.0
3273,CO-ADD:0328874,19.35,c12c(ccc(C(=O)Nc3ccccc3)c1N=[N+]=[N-])C(=O)c(c4C2=O)cccc4,0.0
3274,CO-ADD:0327839,19.34,C(C#N)(C(C)(C)C(C#N)C(N1)=O)=C1SCC(N)=O,0.0
3275,CO-ADD:0327639,19.34,C(F)(F)(F)Oc(cc1)ccc1NC(=O)CCN(CC2)CCN2Cc3ccccc3.Cl.Cl,0.0
3276,CO-ADD:0328048,19.34,c1(c(C)ccc(nsn2)c12)S(=O)(=O)NCc(ccc3C(OCC)=O)o3,0.0
3277,CO-ADD:0326154,19.34,c12c(c3c(cccc3)[nH]1)nnc(SCc4ccccc4F)n2,0.0
3278,CO-ADD:0326515,19.34,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(c(OC)c4)O,0.0
3279,CO-ADD:0330081,19.34,N1(c2ccccn2)C(=O)C3C(C(CC34)C5C4N=NN5c6ccc(cc6)Br)C1=O,0.0
3280,CO-ADD:0327209,19.34,c1(C2(CCCCC2)NCCc(c3C)c(ccc(c4Cl)Cl)c4[nH]3)nnnn1c5ccc(cc5)C,0.0
3281,CO-ADD:0329643,19.34,n1c(c2ccc(cc2)C)nnn1CC(=O)NCc3ccccn3,0.0
3282,CO-ADD:0326013,19.34,S(=O)(=O)(c(cc1)ccc1C(NCCOc2ccccc2)=O)N3CCC(CC3)C,0.0
3283,CO-ADD:0328360,19.34,c1(c(O)c(C)c(c(NS(=O)(=O)c2ccc(cc2)Cl)c1)C)S(c3ccccc3)(=O)=O,0.0
3284,CO-ADD:0327304,19.33,c1(sc(c2c1N)nc(c(C)c2C)C)C(=O)N3c4c(cccc4)Sc(ccc(c5)C(F)(F)F)c35,0.0
3285,CO-ADD:0327159,19.33,C1(C(OC)=O)(C(OC)=O)C(C1(C#N)C(OC)=O)c2ccccc2,0.0
3286,CO-ADD:0326325,19.33,C(NCCc(c1c([nH]2)cccc1)c2)(C(F)(F)F)(C(F)(F)F)NC(=O)c3cccc(F)c3,0.0
3287,CO-ADD:0327513,19.33,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3Oc4c(Cl)cc(cn4)Cl)n2)Cc5ccccc5Cl,0.0
3288,CO-ADD:0330039,19.33,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc(cc3)ccc3CC(O)=O,0.0
3289,CO-ADD:0326853,19.33,C(F)(F)(C(F)(F)F)\C(\Nc(cc1)ccc1Oc2ccccc2)=C(\C#N)/C#N,0.0
3290,CO-ADD:0326242,19.33,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)NCC(CC(CC3C4)CC45)(C5)C3,0.0
3291,CO-ADD:0326275,19.32,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)F)n1Cc5ccco5,0.0
3292,CO-ADD:0328431,19.32,c1(O2)c(cc(O)cc1c(cccc3C(F)(F)F)c3)SC2=O,0.0
3293,CO-ADD:0328143,19.32,c1(NC(=O)c(cccc2S(=O)(=O)Nc3ccccc3Cl)c2)sc(c4c1C#N)CC(CC4)C,0.0
3294,CO-ADD:0326238,19.32,c1(ccc(cc1NC(=O)c2ccccc2I)C(F)(F)F)C(F)(F)F,0.0
3295,CO-ADD:0326246,19.32,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCC(O)c3ccccc3,0.0
3296,CO-ADD:0326710,19.32,S(=O)(=O)(CC(C12)CC(N1c3ccc(cc3)OC(F)(F)F)=O)C2,0.0
3297,CO-ADD:0328834,19.32,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc(cc2)ccc2CC#N,0.0
3298,CO-ADD:0328788,19.32,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc3sc(c4c3C(OCC)=O)CCCC4,0.0
3299,CO-ADD:0328376,19.31,N12C(CSC1c(cc3)ccc3C#CC(C)(C)O)C(N(c4ccc(cc4)OC)C2=S)=O,0.0
3300,CO-ADD:0328384,19.31,N12c(c(C(C)CC1(C)C)cc(c3)OC)c3C(=O)C2=O,0.0
3301,CO-ADD:0326479,19.31,c1(OC(=O)C(=C2C)C)c2c(n[nH]1)C,0.0
3302,CO-ADD:0326263,19.3,c1(cnn2c3ccc(cc3)F)c2CC(C)(C)c(nc4c(cccc4)n5)c15,0.0
3303,CO-ADD:0326711,19.3,N1(c2ccc(cc2Cl)Cl)C(=O)CC(CS3(=O)=O)C1C3,0.0
3304,CO-ADD:0326334,19.3,C(NCCOc(cc1)ccc1F)(=O)c2ccc(cc2)OCCCC,0.0
3305,CO-ADD:0326374,19.3,S(=O)(=O)(N1CCCC1)c2csc(C(O)=O)c2,0.0
3306,CO-ADD:0327417,19.3,N1(c(cc2)ccc2C(OCC)=O)C(c3ccccc3OC)C(C1=O)Oc4ccc(cc4C)Cl,0.0
3307,CO-ADD:0328475,19.3,C1(C#N)=C(SCC(=O)Nc2c(C)cc(cc2Br)Br)NC(=C(C(C)=O)C1c3cc(cs3)C)C,0.0
3308,CO-ADD:0329828,19.3,C1(=C(NCCc(c2c([nH]3)cccc2)c3)CC(C)(C)CC1=O)C(=S)Nc4ccccc4,0.0
3309,CO-ADD:0326870,19.3,S(=O)(=O)(c1ccc(cc1)C)N2\C(\SCC2)=N\S(=O)(=O)c3ccc(cc3)C,0.0
3310,CO-ADD:0326598,19.3,N(c1ccc(cc1)Br)(CC(=O)c(cc2)ccc2C3CCCCC3)C(CCCCC4)=N4.Br,0.0
3311,CO-ADD:0326702,19.3,c1(C(C)=O)c(C)n(c(C)c1C(C)=O)Cc(cc2)ccc2Cl,0.0
3312,CO-ADD:0325942,19.29,n1(C)c(SCC(=O)N(C)C)nnc1c2ccc(cc2)NC(=O)c3ccccc3F,0.0
3313,CO-ADD:0327425,19.29,N1(C(C(O)=O)CSC1c2ccccc2Cl)C(=O)c3ccccc3F,0.0
3314,CO-ADD:0327194,19.29,[nH](c(ccc(c1)OC)c1c2CCNCc(cc3)ccc3OC(F)(F)F)c2C,0.0
3315,CO-ADD:0329421,19.29,C12(CC3CC(CC(C3)C1)C2)C(=O)N(CC4)CCN4c5ccc(c(C)c5)C,0.0
3316,CO-ADD:0329437,19.29,C1(C(=O)Oc(cc2)ccc2Oc3c(Cl)cc(cn3)Cl)=Cc(cccc4OC)c4OC1=O,0.0
3317,CO-ADD:0329622,19.29,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)(=O)(=O)c3ccc(c(C)c3C)C,0.0
3318,CO-ADD:0329536,19.28,C1(c(c(ccc2)NC3=O)c2C(=O)c(cccc4)c14)=C3C(CCC)=O,0.0
3319,CO-ADD:0328049,19.28,S(=O)(=O)(NC(C)(CC)C#C)c1c(C)ccc(nsn2)c12,0.0
3320,CO-ADD:0328781,19.28,N1(c2ccc(cc2)OC)C(=O)CC(CC(OC)=O)=N1,0.0
3321,CO-ADD:0329846,19.28,N12c(c3CCC1)c(Oc(cc(C#N)c(C#N)c4)c24)ccc3Cl,0.0
3322,CO-ADD:0330046,19.28,C(CC)(C1)(C2)C(=O)C(CN2C(C)=O)(CN1C(C)=O)CC,0.0
3323,CO-ADD:0327202,19.28,n1(c2c(CC)cccc2C)nnnc1C3(CCCCC3)NCC(OCC)=O,0.0
3324,CO-ADD:0326040,19.28,C(F)(F)(F)c(cc1)ccc1C(=O)Nc(cccc2C(O)=O)c2,0.0
3325,CO-ADD:0326193,19.28,C(=N/c(cccc1C(F)(F)F)c1)(/SC(C(=O)Nc(cc2)ccc2OC(F)(F)Cl)CC3=O)\N3CCc(cc4)ccc4Cl,0.0
3326,CO-ADD:0326739,19.28,S(=O)(=O)(CC(C12)CC(N1c(cc(Oc(cc3)ccc3F)cc4[N+](=O)[O-])c4)=O)C2,0.0
3327,CO-ADD:0327810,19.28,C1[C@@H](C)[C@@H](SC[C@H](N)C(=O)O)C[C@@H](C2(C)C)[C@H]12,0.0
3328,CO-ADD:0328002,19.28,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)Nc3ccccc3NC(=O)c(cc4)ccc4C(F)(F)F,0.0
3329,CO-ADD:0326473,19.28,c12c(ccc(OC(C)C(OCC)=O)c1C)C(C)=C(C(=O)O2)C,0.0
3330,CO-ADD:0326114,19.27,n1(c2ccc(c3c2)OCO3)nnnc1SCc4n[nH]nn4,0.0
3331,CO-ADD:0327181,19.27,c1(CN(c2ccc(cc2)Cl)C(=O)Nc(ccc(c3Cl)Cl)c3)nnc(CCCCC4)n14,0.0
3332,CO-ADD:0327711,19.27,S(=O)(=O)(c1ccc(cc1)OC)N(CCc(c23)cc(c(OC)c2)OC)C3,0.0
3333,CO-ADD:0328673,19.27,S(=O)(=O)(c(cccc1C(=O)Nc(cccc2[N+](=O)[O-])c2)c1)NC(CC)C34CC5CC(CC(C5)C3)C4,0.0
3334,CO-ADD:0328993,19.27,c12c(c3c(OC1=O)cccc3)c4c(nc2NC(CC)=O)CCCCC4,0.0
3335,CO-ADD:0328089,19.27,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2ccc(c(C)c2Cl)Cl,0.0
3336,CO-ADD:0328153,19.27,S(=O)(=O)(N(CC1)CCC1C(=O)Nc2ccccc2OC)c3ccc(c4c3cccn4)OC,0.0
3337,CO-ADD:0326349,19.26,C(NCCOC(CC(CC1C2)CC23)(C3)C1)(C(F)(F)F)(C(F)(F)F)NC(=O)c4cccc(C)c4,0.0
3338,CO-ADD:0326381,19.26,[nH]1c(cccc2)c2c(CCNCc3ccc(cc3F)F)c1C,0.0
3339,CO-ADD:0327440,19.26,c(C1)(c2c([nH]3)ccc(C)c2)c3CCN1C(OCC)=O,0.0
3340,CO-ADD:0329305,19.26,C(C#N)(S1)=C(C#N)SC(C#N)=C1C#N,0.0
3341,CO-ADD:0329946,19.26,[N+](=O)([O-])c(ccc(c1NC(=O)C(CC2)(CCO2)c3ccccc3)OC)c1,0.0
3342,CO-ADD:0329274,19.26,C(O)(C(OC)=O)(c1ccc(c(Cl)c1)O)C(F)(F)F,0.0
3343,CO-ADD:0326849,19.26,n1(CC=C)c(SCC(=O)Nc(ccc(c23)CCC2)c3)nnc1c4cccs4,0.0
3344,CO-ADD:0326005,19.26,S(=O)(=O)(N1CCCCC1)c2ccc(c(NS(C)(=O)=O)c2C)C,0.0
3345,CO-ADD:0329593,19.25,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3ccc(c(cccc4)c34)OC,0.0
3346,CO-ADD:0326601,19.25,n1(c2c(s3)cccc2)c3nnc1SCC(=O)c4ccc(cc4)C,0.0
3347,CO-ADD:0326705,19.25,c1(c2C)c(C(=O)C=CC=C1OCC)c(n2Cc3ccccc3)C,0.0
3348,CO-ADD:0327565,19.25,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)N(CC)c2ccccc2,0.0
3349,CO-ADD:0328663,19.25,S(c1ccccc1)(=O)(=O)c(cc2)ccc2C(=O)NCc(ccc3C(OCC)=O)o3,0.0
3350,CO-ADD:0330001,19.25,N(c1cccc(cccc2)c12)(C(=O)C(C3ON4c5ccccc5)C4c6ccc(cc6)OC)C3=O,0.0
3351,CO-ADD:0329849,19.25,c(C(F)(F)F)(n1)c2c(nc1S[C@@H](CC3=O)[C@@H](C4)O[C@H]3O4)CCC(C)C2,0.0
3352,CO-ADD:0327667,19.25,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1CCc(ccc(c5OC)OC)c5)CC,0.0
3353,CO-ADD:0327796,19.24,c1(O)cc(Oc(cc(O)c(C\C=C(/C)\C)c2O)c2C3=O)c3c(C\C=C(/C)\C)c1OC,0.0
3354,CO-ADD:0329771,19.24,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)N(C(=O)N1)c3ccc(cc3)Cl,0.0
3355,CO-ADD:0329316,19.24,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)Cl)C(=N)Nc3nc(C)cc(C)n3,0.0
3356,CO-ADD:0329956,19.24,c1(Cl)c(cccc1OCC(=O)Nc(cc2)ccc2CC#N)Cl,0.0
3357,CO-ADD:0326784,19.24,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCN3C)n2)CC(=O)c4ccc(cc4)Cl,0.0
3358,CO-ADD:0329398,19.24,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc(s3)nc(c3C(OCC)=O)C,0.0
3359,CO-ADD:0329734,19.24,n12c(c(c(cc(C)cc3)c13)ncn4)c4Sc(cc(C#N)c(C#N)c5)c25,0.0
3360,CO-ADD:0329327,19.24,N(C(=O)NC=C1NC(CCCOc2ccc(cc2Cl)Cl)=O)C1=O,0.0
3361,CO-ADD:0327367,19.24,N1(c(cccc2C(F)(F)F)c2)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccccc4C,0.0
3362,CO-ADD:0329945,19.24,C(=O)(N1CCCCC1)C2(CCCC2)c3ccc(c(OC)c3)OC,0.0
3363,CO-ADD:0328264,19.23,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(cc4)CC)cc(c(C)c3)C,0.0
3364,CO-ADD:0327705,19.23,C1(C(OCC)=O)=C(SCC(=O)Nc2ccccc2)NC(=O)C(C#N)C13CCCCC3,0.0
3365,CO-ADD:0327249,19.23,C12=C(C(NC(C)=N1)=O)SC(=S)N2C,0.0
3366,CO-ADD:0327738,19.23,c1(NC(=O)CCN2CCCCC2)cc(on1)C.Cl,0.0
3367,CO-ADD:0329175,19.22,N#CCc(cc1)ccc1NC(COc2ccccc2Cl)=O,0.0
3368,CO-ADD:0328200,19.22,S(c1ccccc1)(=O)(=O)c2cc(cc(C(C)C)c2O)NS(=O)(=O)c3ccc(cc3)OC,0.0
3369,CO-ADD:0329591,19.22,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3c(C)cc(cc3C)C,0.0
3370,CO-ADD:0329784,19.22,[N+](=O)([O-])c(cccc1C2CC(=O)Nc(cc(OC)c(OC)c3)c23)c1,0.0
3371,CO-ADD:0329730,19.21,c1(nc(C)cc(C)n1)NC(=N)Nc(cc2)ccc2NC(CC)=O,0.0
3372,CO-ADD:0326303,19.21,C(C(NCCCC(O)=O)=O)(NC1=O)=CC(N1)=O,0.0
3373,CO-ADD:0327259,19.21,C1(=CC=CN(CC(=O)NC2(CCCCC2)C(=O)Nc3c(C)cccc3C)C1=O)[N+](=O)[O-],0.0
3374,CO-ADD:0328461,19.21,n1(c2ccccc2)cnnc1SCc3ccccc3,0.0
3375,CO-ADD:0328693,19.21,C1(C)(c2ccccc2NC(=O)c3ccc(cc3)OC)CC1,0.0
3376,CO-ADD:0329144,19.21,N1(c2cccc(c2)[N+](=O)[O-])C(c3ccccc3OC)C(C1=O)Oc4ccc(cc4C)Cl,0.0
3377,CO-ADD:0326636,19.21,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(NCCc(c4c([nH]5)cccc4)c5)=O)n2,0.0
3378,CO-ADD:0329428,19.21,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)N(CC3)CCN3c4cccc(Cl)c4,0.0
3379,CO-ADD:0326153,19.21,c1(nc(c2n1Cc3c(cccc3F)Cl)cccc2)c4nonc4NC(=O)c5ccccc5Cl,0.0
3380,CO-ADD:0327540,19.2,[N+](=O)([O-])c(cc(Oc1cccc(OC)c1)c(c23)C=Cc(cccc4)c4O2)c3,0.0
3381,CO-ADD:0328298,19.2,C(C(C)=O)(C1c(cc2)ccc2C(OC)=O)=C(O)C(N1c3ccc(c(Br)c3)C)=O,0.0
3382,CO-ADD:0328013,19.2,C1(=S)N(Nc2c(Cl)cc(cn2)Cl)C(C(=O)N1c3ccc(cc3)F)CC(=O)Nc(cc4)ccc4OC,0.0
3383,CO-ADD:0329001,19.2,C12(c3c(N(C\C=C/c4ccccc4)C1=O)cccc3)NC(C(C(N5c6ccccc6OC)=O)C2C5=O)C,0.0
3384,CO-ADD:0326377,19.2,C(C)(C)(C(=O)OC(C1(C)C)c(cc2)ccc2C(OC3=O)C(C)(C)C(C3(C)C)=O)C1=O,0.0
3385,CO-ADD:0326195,19.2,N(C(=O)c(cc1)ccc1C(F)(F)F)C(=O)Nc2cc([nH]n2)C,0.0
3386,CO-ADD:0326427,19.19,C(C)(C)(C(=O)OC(C12CCCCC1)c3ccccc3)C2=O,0.0
3387,CO-ADD:0328091,19.19,N(c1ccccc1OC)(C(=O)C(C23)C(c4ccc(cc4O)O)NC2(CC(C)C)C(O)=O)C3=O,0.0
3388,CO-ADD:0326557,19.19,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)N(C3=N1)C=CC=C3C,0.0
3389,CO-ADD:0328801,19.19,N1(c2cccc(C)c2)C(=O)C(CC1=O)NNc3c(Cl)cc(cn3)Cl,0.0
3390,CO-ADD:0328514,19.19,c1(n2cccc2)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
3391,CO-ADD:0329385,19.19,c1(N2CCCCC2c3ccccn3)nc(N\N=C\c(cccc4[N+](=O)[O-])c4O)nc(OCC(F)(F)F)n1,0.0
3392,CO-ADD:0326121,19.18,c1(cc(OC)c(cc1Cl)O)C2NCCc(cc(c(OCC)c3)OCC)c23,0.0
3393,CO-ADD:0326586,19.18,c1(c(ccc2C(CNC)=O)OCCO1)c2.Cl,0.0
3394,CO-ADD:0326202,19.18,C(=C\C(=O)c1ccc(cc1)C)(/C2=O)\Nc3c(ccc(Cl)c3)O2,0.0
3395,CO-ADD:0326574,19.18,c1(c2c3c(cccc3)ncc2c4ccc(c5n4)cccc5)n(C(C)C)c6c(cccc6)n1,0.0
3396,CO-ADD:0326070,19.18,n1(c2ccccc2F)nnnc1SCC(=O)NCc(ccc(c34)OCO3)c4,0.0
3397,CO-ADD:0329125,19.18,C(Cc(cc1)ccc1Cl)(=O)Nc(cc2)ccc2CC#N,0.0
3398,CO-ADD:0328172,19.18,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)c(C)cc(NC(=O)c3ccc(cc3)Cl)c2C,0.0
3399,CO-ADD:0329126,19.17,[N+](=O)([O-])c1ccc(cc1)CC(=O)Nc(cc2)ccc2CC#N,0.0
3400,CO-ADD:0325976,19.17,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc4cccc(C)c4)[N+](=O)[O-])c13)cccc2,0.0
3401,CO-ADD:0327880,19.17,[N+](=O)([O-])c1cccc(c1)N2CCCC2,0.0
3402,CO-ADD:0329148,19.17,N(c1ccc(cc1)OCC)(COc(c23)ccc(Cl)c2)C3,0.0
3403,CO-ADD:0329180,19.17,N#CCc(cc1)ccc1NC(CCCOc2ccc(cc2Cl)Cl)=O,0.0
3404,CO-ADD:0330008,19.17,C(c1ccccc1)(c2c(ccc(Cl)c2)NC3=O)=C3N(CC4)CCN4c5ccc(cc5)F,0.0
3405,CO-ADD:0328452,19.17,n1(c(C)c(nn1)C(C)=O)c2nc(OC)nc(N(CC)CC)n2,0.0
3406,CO-ADD:0327498,19.17,c1(NC(=O)CCN(CC2)CCN2C(OCC)=O)cc(on1)C,0.0
3407,CO-ADD:0329650,19.16,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3OC)OCc(cc4)ccc4F)c3,0.0
3408,CO-ADD:0326673,19.16,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc4sc(c(C)c4C(N)=O)C(OC)=O)n2,0.0
3409,CO-ADD:0326790,19.16,n1(c(CC)nn2)c2SCC(c3ccc(c(OC)c3)OC)=N1.Br,0.0
3410,CO-ADD:0326610,19.16,C(=S)(NC(CC)CO)Nc1ccccc1C,0.0
3411,CO-ADD:0328297,19.16,C(C(C)=O)(C1c2cccc(F)c2)=C(O)C(N1c3ccc(c(Br)c3)C)=O,0.0
3412,CO-ADD:0328263,19.16,c1(c2C)c(C(=O)C=CC=C1OCC)c(n2c3cccc(OC)c3)C,0.0
3413,CO-ADD:0326148,19.15,C12(c(cccc3)c3C(c4ccccc4)(c5ccccc5)S1)N(c6ccc(cc6)C)N=C(C(OC)=O)S2,0.0
3414,CO-ADD:0327126,19.15,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OC)OCc(cc4)ccc4F)c3)\C1=N,0.0
3415,CO-ADD:0331285,19.15,n1(C)c2c(cc1c3ccccc3)cc(cc2)N\C(\C(F)(F)F)=C/C(OCC)=O,0.0
3416,CO-ADD:0331938,19.15,[N+](=O)([O-])c(c1)cc(cc1C(=O)N(CC2)CCN2Cc(ccc(c34)OCO3)c4)[N+](=O)[O-],0.0
3417,CO-ADD:0332426,19.15,S(=O)(=O)(c1ccc(cc1)C)N2Cc(cccc3)c3CC2C(=O)Nc4sccn4,0.0
3418,CO-ADD:0331891,19.15,S(=O)(=O)(c(cc1)ccc1C2CCCCC2)N(CC3)CCN3c4cccc(C)c4C,0.0
3419,CO-ADD:0332556,19.15,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCN4c5ccc(cc5)OC,0.0
3420,CO-ADD:0331796,19.14,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccccc4F,0.0
3421,CO-ADD:0331673,19.14,C1(c(c2)cc(c(O)c2C)C)(C(F)(F)F)C(=O)N(C(C)=C1C(OCC)=O)C,0.0
3422,CO-ADD:0332026,19.14,c1(cc(nn1c2ccccc2OC)C)NC(=O)NC(=O)c(cc3)ccc3C(F)(F)F,0.0
3423,CO-ADD:0332514,19.14,C(=O)(c1ccc(cc1)Oc2ccccc2)Nc3c(CCC)cc(c4c3)OCO4,0.0
3424,CO-ADD:0332315,19.14,c1(cn2c(CCCC2)n1)C34CC(CC(C5)C3)CC5C4.Br,0.0
3425,CO-ADD:0332308,19.14,C(Nc(ccc(c12)OCO1)c2)(OC(C)=CC3=O)=C3C(C)=O,0.0
3426,CO-ADD:0332588,19.13,c(N(CC1)CCN1)(n2)nc(nc2N3CCCCC3)N4CCCCC4,0.0
3427,CO-ADD:0331820,19.13,c1(nncn1\N=C\c2ccccc2Cl)n3c(C)cc(C)n3,0.0
3428,CO-ADD:0331852,19.13,C(NCCC(NCCOc(cc1)ccc1CCC)=O)(=O)Nc2cccc(Cl)c2,0.0
3429,CO-ADD:0332301,19.13,N(NC(=O)c(cccn1)c1)(C(CC(=O)Nc(cc2)ccc2F)C(N3CC)=O)C3=S,0.0
3430,CO-ADD:0332229,19.13,C1(C(OCCSCC)=O)=C(C)NC(=O)NC1c(cc2)ccc2C(F)(F)F,0.0
3431,CO-ADD:0331148,19.13,n1(C(C)c2ccccc2)c3c(nc1CCCO)cccc3,0.0
3432,CO-ADD:0331101,19.13,c1(SCc(cc2)ccc2OCCC)[nH]c(c3n1)cccc3,0.0
3433,CO-ADD:0331415,19.13,c(NC(COc(cc1)ccc1Cl)=O)(c(C(N)=O)nn2c3ccccc3)n2,0.0
3434,CO-ADD:0331327,19.13,C1(C(F)(F)F)(NC(=O)c2ccccc2OC)C(=O)N(C(=O)N1)c3ccc(cc3)F,0.0
3435,CO-ADD:0331471,19.12,C1(CC(CC2C1)CC3(C2)NC(C)=O)(C3)n4cnc(C)n4,0.0
3436,CO-ADD:0330856,19.12,c(C(NCCc1ccccc1)=O)(sc(c23)nc(cc2C(F)(F)F)c4ccccc4)c3N,0.0
3437,CO-ADD:0330952,19.12,c1(C(O)=O)sc(c2c1n3cccc3)nc(c(Cl)c2C)C,0.0
3438,CO-ADD:0332020,19.12,c12c(c3c(cccc3)C1=O)nc4n(ncn4)c2c5ccc(cc5)F,0.0
3439,CO-ADD:0331948,19.12,S(=O)(=O)(NC(c1ccc(cc1)OC)CC(OCC)=O)c2c(Cl)ccc(c2)[N+](=O)[O-],0.0
3440,CO-ADD:0331973,19.12,c(C#N)(c(SCC(=O)Nc1ccccc1)nc(c2C#N)N)c2c(cc3OC)cc(c3OC)OC,0.0
3441,CO-ADD:0331877,19.11,S(=O)(=O)(N(CC1)CCN1C(OCC)=O)c2c(OCC)ccc(OCC)c2,0.0
3442,CO-ADD:0332570,19.11,S(=O)(=O)(c1ccc(cc1)Br)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N4CCCCC4,0.0
3443,CO-ADD:0330861,19.11,C(=O)(Nc1ccccc1)Nc2ccccn2,0.0
3444,CO-ADD:0330959,19.11,N1c(cccc2)c2C(OC1c3ccc(c(OC)c3)OCC)(C)C,0.0
3445,CO-ADD:0330976,19.11,c1(scc(OCCO2)c12)C(=O)Nc3c(OC)cc(c(OC)c3)Cl,0.0
3446,CO-ADD:0331449,19.1,n(Cc(ccc(c12)cccc1)c2)(c3c(n4)cccc3)c4CCCO,0.0
3447,CO-ADD:0331361,19.1,C(O)(c1c(N2Cc3ccccc3C)cccc1)(c4c5c([nH]c4)cccc5)C2=O,0.0
3448,CO-ADD:0332462,19.1,c(OC(C(F)(F)F)C(F)(F)F)(nc(Nc(cc1)ccc1O)nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
3449,CO-ADD:0331020,19.1,C1(C(F)(F)F)(NC(=O)c2cccs2)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)OC)=O,0.0
3450,CO-ADD:0331005,19.1,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)Cl)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
3451,CO-ADD:0330934,19.1,c1(C#N)c(COC)cc(nc1SCC[N+](C)(C)CC=C)C.[Br-],0.0
3452,CO-ADD:0330870,19.1,c1(CN(c2ccc(cc2)F)C(=O)Nc3cccc(Cl)c3)nnc(CCCCC4)n14,0.0
3453,CO-ADD:0330886,19.1,C(=O)(NC(c1ccc(cc1)Cl)CC(O)=O)c2c(cccc2F)F,0.0
3454,CO-ADD:0331650,19.1,c12c(c(cc(C)n1)C)c(nn2C3CCCC3)O,0.0
3455,CO-ADD:0331147,19.1,n1c2c([nH]c1COc(cc3)ccc3Cl)cccc2,0.0
3456,CO-ADD:0331627,19.09,C(CNC(=O)c(cc1)ccc1C(C)(C)C)(C2)(C3)CC(C4)CC2CC34,0.0
3457,CO-ADD:0331643,19.09,S(NCCOC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4c(OC)cc(c(C)c4)C,0.0
3458,CO-ADD:0330722,19.09,c1(cc(OC)c(c2)OC)c2C(CC(=O)N1)c3cccs3,0.0
3459,CO-ADD:0330770,19.08,c1(nc(c2[nH]1)cccn2)S(=O)(=O)Cc(cccc3C(F)(F)F)c3,0.0
3460,CO-ADD:0331003,19.08,N1(CC(=O)OC2CSCC2NC(OC)=O)C(=O)c3c(cccc3)C1=O,0.0
3461,CO-ADD:0332303,19.08,N(NC(=O)c(c1)cc(cn1)Br)(C(CC(=O)Nc2cc(Cl)cc(Cl)c2)C(N3CC)=O)C3=S,0.0
3462,CO-ADD:0332615,19.08,C(CO)(C(O)=O)NC(N)=O,0.0
3463,CO-ADD:0332192,19.07,C(=O)(Nc(cc1)ccc1N2CCC(CC2)C)c3cccs3,0.0
3464,CO-ADD:0332257,19.07,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2c3ccc(c(C)c3)C,0.0
3465,CO-ADD:0332289,19.07,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(CCC4CCCCC4)=O)cc(cc3C)C,0.0
3466,CO-ADD:0331490,19.07,C1(NC(C)=O)(C(F)(F)F)C(=O)N(C(=O)N1)CCc2ccccc2,0.0
3467,CO-ADD:0331061,19.07,n1(c2ccccc2F)nnnc1SCc(ccc(c3OCC)OCC)c3,0.0
3468,CO-ADD:0332334,19.07,c(C(F)(F)F)(cc(n1CC(=O)N(C)c2ccc(cc2)OC(F)(F)F)C)n1,0.0
3469,CO-ADD:0332224,19.07,C1(C(OCCCC)=O)=C(C)NC(NC1c2ccc(c(Br)c2)F)=O,0.0
3470,CO-ADD:0331146,19.06,n(c1c(n2)cccc1)(CC(=O)N(C(C)C)c3ccccc3)c2C,0.0
3471,CO-ADD:0332052,19.06,n12c(nc(cc1C(Cl)(F)F)c3cccs3)cc(C(=O)NCC(CC(CC4C5)CC56)(C6)C4)n2,0.0
3472,CO-ADD:0331771,19.06,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cc(OC)c(c4[N+](=O)[O-])O)c4,0.0
3473,CO-ADD:0332212,19.06,C1(C(OC)=O)=C(C)NC(NC1c(cc(OC)c(c2[N+](=O)[O-])O)c2)=O,0.0
3474,CO-ADD:0332332,19.06,c(c(O)[nH]n1)(C2c3ccc(cc3)C)c1CC(C)(O)C2C(OC)=O,0.0
3475,CO-ADD:0332205,19.05,C1(C(=O)OC(C)C)=C(C)NC(NC1c2ccc(Br)s2)=O,0.0
3476,CO-ADD:0327780,19.05,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2F)NC3=C1C(=O)NC(N3CCc(c4c([nH]5)cccc4)c5C)=O,0.0
3477,CO-ADD:0327316,19.05,N(C(=O)\C(\S1)=C/c(ccc(c2OC)OC)c2)=C1N(CC3)CCN3CCO,0.0
3478,CO-ADD:0327564,19.05,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)NC(C)CC,0.0
3479,CO-ADD:0327757,19.04,N1(C2CCCCC2)C(=O)NC(C([S+](CC)CC)=C1[O-])=O,0.0
3480,CO-ADD:0328882,19.04,C12(CC(CC3C1)CC(C3)C2)N(CC)C(=O)CSc4sc(c5n4)ccc(Cl)c5,0.0
3481,CO-ADD:0328922,19.04,c1(c(cccc1F)F)CNC(c2ccccc2Cl)CC(OCC)=O.Cl,0.0
3482,CO-ADD:0327883,19.04,S(=O)(=O)(c1ccc(c(F)c1)OC)N(CC2)CCN2C(c3ccccc3)=O,0.0
3483,CO-ADD:0327891,19.04,c1(Nc2ccccc2)nnc(SCC(=O)c3ccc(cc3)F)n1c4ccccc4,0.0
3484,CO-ADD:0326155,19.04,C(=N/OCc1cccc(F)c1)(/C(C)=Nc(c23)cccc2)\C(C)=N3,0.0
3485,CO-ADD:0326435,19.04,c1(N(CC2)CCN2CCCN3c4c(cccc4)Sc(ccc(c5)C(F)(F)F)c35)scc(c6ccc(cc6)Cl)n1,0.0
3486,CO-ADD:0329972,19.04,n1(Cc(cc2)ccc2C(=O)Nc(cc3)ccc3CC#N)c(C)c(c(C)n1)Cl,0.0
3487,CO-ADD:0327587,19.03,c1(sc2c3c(COC)cc(C)n2)c3N=NN(c4cccc(C)c4)C1=O,0.0
3488,CO-ADD:0328067,19.03,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2c(OC)ccc(OC)c2,0.0
3489,CO-ADD:0327683,19.03,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc(c4[N+](=O)[O-])O)c4,0.0
3490,CO-ADD:0326489,19.03,C1(=O)Nc2c(Oc(cc(cc3Oc4ccccc4C)[N+](=O)[O-])c13)ccc(Cl)c2,0.0
3491,CO-ADD:0328548,19.03,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(NCCc(c4c([nH]5)ccc(OC)c4)c5C)=O)n2,0.0
3492,CO-ADD:0328237,19.03,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)cc(c(c2)NS(=O)(=O)c3ccc(cc3)Cl)C,0.0
3493,CO-ADD:0328285,19.03,S(=O)(=O)(NCc(ccc1C(OCC)=O)o1)c2c(C)cc(cc2C)C,0.0
3494,CO-ADD:0328349,19.02,N(c1c(cccc1)NC(CC(c(cc2)ccc2C(C)(C)C)CC3=O)=C34)(C(=O)C(F)(F)F)C4c5ccco5,0.0
3495,CO-ADD:0328638,19.02,C(=O)(Nc(cc1)ccc1CC#N)c(cc2OC)cc(c2OC)OC,0.0
3496,CO-ADD:0328278,19.02,S(=O)(=O)(Nc(cc1)ccc1CC(O)=O)c2c(C)cc(c(C)c2)OC,0.0
3497,CO-ADD:0329496,19.01,C1(C(NCCc(c2c([nH]3)ccc(C)c2)c3C)=O)=Cc4c(OC1=O)cccc4,0.0
3498,CO-ADD:0329808,19.01,C(=O)(NC1CCCCC1)NC(CC2(C)C)CC(N2)(C)C,0.0
3499,CO-ADD:0329824,19.01,C(/SC=C1c2ccc(c(OC)c2)OC)(=N/c3ccccn3)\N1CC=C,0.0
3500,CO-ADD:0329673,19.01,c1(Oc(cc2)ccc2OC(=O)c3cccs3)c(Cl)cc(cn1)Cl,0.0
3501,CO-ADD:0328020,19.0,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/NCCCOCC,0.0
3502,CO-ADD:0326572,19.0,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)F)NC3=C1C(=O)NC(N3CCc(c4c([nH]5)cccc4)c5C)=O,0.0
3503,CO-ADD:0327354,19.0,C(C(C)=O)(C1c2ccccc2)=C(O)C(N1CCCN(CC)CC)=O,0.0
3504,CO-ADD:0327547,19.0,c(nn(c12)c(C)c(c(C)n1)C)(S(=O)(=O)N(C)CCO)n2,0.0
3505,CO-ADD:0329690,19.0,N1(c2ccc(cc2)Cl)C(=O)C(N(CCc(cc3)ccc3F)C1=S)CC(=O)Nc4cccc(OC)c4,0.0
3506,CO-ADD:0328291,19.0,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3ccc(c(C)c3)C,0.0
3507,CO-ADD:0328299,19.0,C(C(C)=O)(C1c2ccc(cc2OC)OC)=C(O)C(N1c3ccc(c(Br)c3)C)=O,0.0
3508,CO-ADD:0328180,18.99,c1(c(C)c(cc(C(C)C)c1O)NC(=O)c(cc2)ccc2[N+](=O)[O-])S(=O)(=O)c3ccc(cc3)Cl,0.0
3509,CO-ADD:0329124,18.99,C(Cc(cc1)ccc1OC)(=O)Nc(cc2)ccc2CC#N,0.0
3510,CO-ADD:0328302,18.99,C(C(c1ccccc1)=O)(C2c3cccc(F)c3)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
3511,CO-ADD:0329657,18.99,c1(cnc(C)n1CC(=O)N(CC)c2ccccc2)[N+](=O)[O-],0.0
3512,CO-ADD:0326840,18.99,c(sc(n1)Nc2ccccc2F)(C(=O)Nc3onc(C)c3)c1N,0.0
3513,CO-ADD:0329518,18.99,N1(C(=O)c2ccccc2OC)N3C(=NC1=S)C=C(C)C=C3,0.0
3514,CO-ADD:0327348,18.99,C(Nc(cc1)ccc1O)(OC(C)=CC2=O)=C2C(C)=O,0.0
3515,CO-ADD:0328944,18.99,N1(c(cc2)ccc2C(OCC)=O)C(=O)\C(\SC1=N)=C\c(ccc3c4ccc(cc4)OC(F)(F)F)o3,0.0
3516,CO-ADD:0328096,18.99,C12(C#N)C(OC)(OC)N=C(N)C1(C23CCCCC3)C#N,0.0
3517,CO-ADD:0329283,18.99,N1(C)C(\C=C\c(ccc2[N+](=O)[O-])o2)=Nc(c3C1=O)ccc(I)c3,0.0
3518,CO-ADD:0327866,18.98,S(=O)(=O)(NC1CCCCC1)c2ccc(c(cccc3)c23)OC,0.0
3519,CO-ADD:0329347,18.98,N1(c(ccc(c2)OC)c2S3)C3=NC(C(OC)=O)=CC1=O,0.0
3520,CO-ADD:0329243,18.98,c1(cnc(C)n1CC(=O)Nc(ccc(c2Cl)F)c2)[N+](=O)[O-],0.0
3521,CO-ADD:0328276,18.98,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c3ccc(cc3)OCC,0.0
3522,CO-ADD:0327965,18.98,C1(O)(C(F)(F)F)C(=O)Oc(ccc(cccc2)c23)c13,0.0
3523,CO-ADD:0327678,18.98,N1C(=O)C=C(N=C1NCCO)C,0.0
3524,CO-ADD:0326119,18.98,C(Cc(ccc(c1OCC)OCC)c1)(=O)Nc2cccc(Cl)c2,0.0
3525,CO-ADD:0326439,18.98,n1(c2ccccc2)nnnc1SCC(=O)Nc(cc3)ccc3SC#N,0.0
3526,CO-ADD:0328364,18.97,S(NCCc(c1c([nH]2)cccc1)c2)(=O)(=O)c(cccc3C(=O)Nc(cccc4[N+](=O)[O-])c4)c3,0.0
3527,CO-ADD:0329295,18.97,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c3cccc(c3)OCc4ccccc4)\C1=N,0.0
3528,CO-ADD:0329783,18.97,C12=C(CC(C(C(OC)=O)C1=O)C)Nc(c3NC2c4ccc(Cl)s4)cccc3,0.0
3529,CO-ADD:0327608,18.97,n1(c2ccc(c3c2)OCO3)nnnc1SCC(=O)N4c5c(cccc5)Sc(ccc(c6)C(F)(F)F)c46,0.0
3530,CO-ADD:0329352,18.97,N(C(=O)NC=C1NC(COc(cc2)ccc2Br)=O)C1=O,0.0
3531,CO-ADD:0329296,18.97,n1(c2c(n3)cccc2)c3S\C(=C/c(c(cccc4)c4n5CCOc(cc6)ccc6OC)c5)\C1=O,0.0
3532,CO-ADD:0329268,18.97,C(/Nc1ccccc1OCCC)(\Nc2nc(C)cc(C)n2)=N\C(COc(cc3)ccc3OC)=O,0.0
3533,CO-ADD:0329365,18.97,c1(N)c2c(ccc1C(C)=O)OCCO2,0.0
3534,CO-ADD:0329717,18.97,c1(NC(=O)CN(CC2)CCO2)cc(on1)C.Cl,0.0
3535,CO-ADD:0329334,18.97,C(=C/c(ccc1c2c(C)ccc(C(O)=O)c2)o1)(/C3=O)\C(=O)OC(C)(CCCC)O3,0.0
3536,CO-ADD:0327493,18.97,c1(SCC(NCCC(C2)(CC(C3)CC4CC23)C4)=O)[nH]c(c5n1)ccc(C)c5,0.0
3537,CO-ADD:0327533,18.97,c1(C(c2ccccc2)=O)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)ccc(OC)c3,0.0
3538,CO-ADD:0225800,18.96,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4ccc(cc4Br)C)=O,0.0
3539,CO-ADD:0250258,18.96,N1(c2c(Cl)ccc(c2)[N+](=O)[O-])C(=O)C3C(C(CC4)C=CC34)C1=O,0.0
3540,CO-ADD:0225365,18.96,c12n(ccn(nc(c3ccccc3)c4)c14)c(nn2)SCC(=O)Nc5cccc(Br)c5,0.0
3541,CO-ADD:0226141,18.96,S(=O)(=O)(N(Cc(cc1)ccc1C)c(cc2)ccc2C(C)C)c3cccn(c(nn4)CC)c34,0.0
3542,CO-ADD:0255800,18.96,S(c1ccccc1)(=O)(=O)NNC(=O)C(=O)Nc2ccccc2OC,0.0
3543,CO-ADD:0226969,18.96,N1(c(ccs2)c2C(N3CCC(C)C)=O)C3=NN(CC(=O)NC(C)CC)C1=O,0.0
3544,CO-ADD:0226190,18.96,S(=O)(=O)(N(Cc(cc1)ccc1C=C)c2ccc(cc2)Cl)c3cccn(c(nn4)C)c34,0.0
3545,CO-ADD:0225430,18.96,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5c(OC)ccc(OC)c5)=O,0.0
3546,CO-ADD:0226948,18.96,c12n(c(nn1)CCC(=O)NC(C)C34CC5CC(CC(C5)C3)C4)c(c6C(=O)N2CCCC)ccs6,0.0
3547,CO-ADD:0225412,18.95,C1(=N2)N(C=Cn(nc(c3ccc(cc3)F)c4)c14)C(N2CC(=O)Nc5c(C)cc(cc5C)C)=O,0.0
3548,CO-ADD:0255415,18.95,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3OC(c4ccccc4)=O)=N1,0.0
3549,CO-ADD:0225362,18.95,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)NCc(cc5)ccc5C,0.0
3550,CO-ADD:0250391,18.95,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(c5)Oc6ccc(cc6[N+](=O)[O-])C(F)(F)F,0.0
3551,CO-ADD:0253744,18.95,C12=C(C(NC(c(cc3)ccc3[N+](=O)[O-])N1)=O)SC(=S)N2c4ccccc4,0.0
3552,CO-ADD:0221238,18.95,c1(sc2c(ccc(C)c2)n1)NC(=O)c(cccc3[N+](=O)[O-])c3,0.0
3553,CO-ADD:0255459,18.94,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(c4c3)OCO4)c5sc(c6c5C(OCC)=O)CCCC6,0.0
3554,CO-ADD:0221260,18.94,C(/C(C)=NN1)(=N\Nc(c(OC)ccc2C(=O)Nc3c(Cl)ccc(Cl)c3)c2)\C1=O,0.0
3555,CO-ADD:0220268,18.94,n1c2c(oc1c3cccc(Br)c3)ccc(c2)\N=C\c4cc(C)cc(I)c4O,0.0
3556,CO-ADD:0220127,18.94,C(CCCCC(=O)N\N=C\C=C\c1ccccc1)(=O)N\N=C\C=C\c2ccccc2,0.0
3557,CO-ADD:0256139,18.94,c(Nc1cccc(cccc2)c12)(s3)nc(c3C(C)=O)C.Cl,0.0
3558,CO-ADD:0255483,18.94,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(Br)s3)c4sc(c5c4C#N)CCCCC5,0.0
3559,CO-ADD:0225901,18.93,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)Nc4c(OC)ccc(OC)c4)C2=O,0.0
3560,CO-ADD:0256179,18.93,N(\C(=C/c(ccc(c1OCC)OCc2ccccc2)c1)\C(O3)=O)=C3c4ccc(cc4)Cl,0.0
3561,CO-ADD:0225173,18.93,c1(nnc2c(cc3OC)cc(c3OC)OC)n2C=CN(Cc(cc4)ccc4Cl)C1=O,0.0
3562,CO-ADD:0249944,18.93,C(C#N)(C1c2ccc(cc2)Cl)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
3563,CO-ADD:0225229,18.93,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc4cc(C)ccc4OC)C2=O,0.0
3564,CO-ADD:0225854,18.93,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)N(CC4)CCN4c5ccccc5)=O,0.0
3565,CO-ADD:0225862,18.93,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)NCc(cc4)ccc4F)=O,0.0
3566,CO-ADD:0225210,18.93,N1(c(cccc2)c2C(N3CCC(=O)NC4CCCCC4)=O)C3=NN(Cc5cccc(OC)c5)C1=O,0.0
3567,CO-ADD:0253903,18.92,C12=C(C(NC(c3ccc(c(OC)c3)OCc4ccccc4)N1)=O)SC(=S)N2c5ccccc5,0.0
3568,CO-ADD:0253888,18.92,n(c1c2cccc1)c(SCC(=O)N3CCCCC3)c(n2)SCC(=O)N4CCCCC4,0.0
3569,CO-ADD:0255767,18.92,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cccn3)c3)c4sc(c5c4C(OC)=O)CCCC5,0.0
3570,CO-ADD:0226235,18.92,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(cc2)OCC)c(ccc(n3c4)nn4)c3,0.0
3571,CO-ADD:0225851,18.92,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)N(CC4)CCN4c5ccccc5)=O,0.0
3572,CO-ADD:0250028,18.92,C(C#N)(C1c(cc2)ccc2N(C)C)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,0.0
3573,CO-ADD:0226259,18.92,S(=O)(=O)(N(Cc1cccc(F)c1)c2cccc(F)c2)c(ccc3n4c(C)nn3)c4,0.0
3574,CO-ADD:0225915,18.91,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc4cccc(OC)c4)C2=O,0.0
3575,CO-ADD:0253859,18.91,c1(sc(cc1C(OCC)=O)CC)NC(=O)c(cc2)ccc2S(=O)(=O)N(CCC)CCC,0.0
3576,CO-ADD:0226323,18.91,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)N4CCCC4,0.0
3577,CO-ADD:0256123,18.91,n1c2c(oc1c(ccc(c3NC(=O)c(cc(c(c4[N+](=O)[O-])C)[N+](=O)[O-])c4)Cl)c3)ccc(C)c2,0.0
3578,CO-ADD:0250579,18.91,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cccn3)c3)c4sc(c5c4C(OCC)=O)CCCC5,0.0
3579,CO-ADD:0256291,18.9,N1(Cc2ccccc2)C(=O)CSC1c(cc(C(C)(C)C)c(c3C(C)(C)C)O)c3,0.0
3580,CO-ADD:0226232,18.9,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(cc2)OC)c(ccc3n4c(CC)nn3)c4,0.0
3581,CO-ADD:0253999,18.9,N1(CCCCC1)C(=O)COc(cc2)ccc2\C=N\NC(c3ccccc3)=O,0.0
3582,CO-ADD:0225848,18.9,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)N(CC4)CCN4c5ccccc5)=O,0.0
3583,CO-ADD:0256565,18.9,c(c(C)c(s1)C)(C(=O)N(C)C(=N2)SCc3ccccc3)c12,0.0
3584,CO-ADD:0226240,18.9,S(=O)(=O)(N(Cc(cc1)ccc1Cl)c2ccc(c3c2)OCO3)c(ccc(n4c5)nn5)c4,0.0
3585,CO-ADD:0256566,18.9,n1(c2ccccc2)c(SCC(=O)NC3CC3)nnc1c4ccc(cc4)OC,0.0
3586,CO-ADD:0256438,18.9,N1(CN(CC2)CCC2C(N)=O)N=C(N(C)C1=S)COc(ccc(c3C)C)c3,0.0
3587,CO-ADD:0226264,18.9,S(=O)(=O)(N(c1ccc(cc1)F)Cc(cc2F)cc(c2)F)c(ccc(n3c4)nn4)c3,0.0
3588,CO-ADD:0226280,18.9,S(=O)(=O)(N(Cc(cc1)ccc1OC)c2ccc(c(F)c2)F)c(ccc(n3c4)nn4)c3,0.0
3589,CO-ADD:0257135,18.9,N(C(=O)COC(=O)CC(c1ccccc1)NC(c2ccccc2)=O)(c3c4cccc3)c5c(S4)cccc5,0.0
3590,CO-ADD:0225904,18.9,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)Nc(cc4)ccc4C(OCC)=O)C2=O,0.0
3591,CO-ADD:0225200,18.9,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(NCCC)=O,0.0
3592,CO-ADD:0256479,18.9,n1c(c2ccccc2)cc(\N=C\c3ccccc3OCC=C)n1c4ccccc4,0.0
3593,CO-ADD:0226371,18.89,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(=O)Nc(ccc(c4F)OC)c4)=O,0.0
3594,CO-ADD:0257112,18.89,C(=O)(C(C)Oc1ccc(cc1Cl)Cl)NNC(COC)=O,0.0
3595,CO-ADD:0256384,18.89,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c3ccccc3F,0.0
3596,CO-ADD:0255934,18.89,c(cc(Br)c(c1)OC)(\C=N\c2cccc(cccc3)c23)c1OC,0.0
3597,CO-ADD:0257001,18.89,N(c1ccc(cc1)F)(C2)Cc(c2cc(c3CN4c5ccc(cc5)F)C4)c3,0.0
3598,CO-ADD:0254101,18.89,C1(C(OCCOCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
3599,CO-ADD:0250679,18.88,C1(=NCC(C)(C)S1)Nc2c(cccn2)C,0.0
3600,CO-ADD:0256499,18.88,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(Cl)cc(Cl)c5OCc6ccc(cc6Cl)Cl,0.0
3601,CO-ADD:0256667,18.88,S(c1ccccc1)(=O)(=O)N(CC(NCCSc2ccccn2)=O)c3cc(C)ccc3C,0.0
3602,CO-ADD:0255810,18.88,c1(Nc2ccc(cc2C)C)sc(c3n1)CCC3,0.0
3603,CO-ADD:0250711,18.88,S(=O)(=O)(c(cccc1C(=O)Oc(cccc2NC(c3ccccc3)=O)c2)c1)N4CCC(CC4)C,0.0
3604,CO-ADD:0253758,18.88,[N+](=O)([O-])c1ccccc1C(=O)Nc(ccc(c2s3)nc3SCc(cc4)ccc4C(C)(C)C)c2,0.0
3605,CO-ADD:0256873,18.88,C1(C(=O)OC(C)CC)=C(C)NC(NC1c(cc2OC)cc(c2O)Cl)=O,0.0
3606,CO-ADD:0257042,18.87,n1(c2ccccc2)c(SCC(=O)c3ccc(cc3)CC)nnc1c4ccco4,0.0
3607,CO-ADD:0250090,18.87,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
3608,CO-ADD:0225215,18.87,N1(c2c(cc(Cl)cc2)C(N3CCC(=O)NC(C)C)=O)C3=NN(CC#N)C1=O,0.0
3609,CO-ADD:0255462,18.87,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cccc3[N+](=O)[O-])c3)c4sc(c5c4C(OC)=O)CCCC5,0.0
3610,CO-ADD:0221705,18.87,N1(CNc2ccc(cc2C)I)C(=O)\C(\SC1=S)=C\c3cccc(Br)c3,0.0
3611,CO-ADD:0221775,18.87,C(/c1c(N2)cccc1)(=N\NC(=O)c3ccc(cc3)OCCCCCCCCCC)\C2=O,0.0
3612,CO-ADD:0256078,18.87,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C/c4ccccc4F)nc(Nc(cc5)ccc5C)n1.Cl,0.0
3613,CO-ADD:0221728,18.87,c1(\C(\CCC2)=N/NC(=O)Cc3cccc(cccc4)c34)c2cc(c(C)c1)OC,0.0
3614,CO-ADD:0221409,18.87,C(=O)(N\N=C\c1ccc(cc1O)O)c2cccc(I)c2,0.0
3615,CO-ADD:0221602,18.87,c1(C#N)c(c2ccc(cc2)Cl)c3c(nc1SCc(cc4)ccc4C(C)(C)C)CCC3,0.0
3616,CO-ADD:0221591,18.86,n(c(SCC(O)=O)nc(c1Oc2ccccc2)C)c1O,0.0
3617,CO-ADD:0221564,18.86,N1(c2ccc(cc2)OC)C(CC(C)(C)CC3=O)=C3CC4=C1CC(C)(C)CC4=O,0.0
3618,CO-ADD:0221302,18.86,C1(C)(C)C(CCC1(C)C(O)=O)C(=O)Nc(cc2)ccc2C,0.0
3619,CO-ADD:0250335,18.86,c1(ccccc1OC)CNC(CSCc(cc2)ccc2Br)=O,0.0
3620,CO-ADD:0256110,18.86,c1(N(C)C)nc(N\N=C/c(ccc(c2OC)O)c2)nc(Nc(cc3)ccc3F)n1.Cl,0.0
3621,CO-ADD:0256617,18.85,n12c(ccc(Cl)c1)nc(C)c2C(=O)N\N=C/c(cc3)ccc3C(O)=O,0.0
3622,CO-ADD:0253472,18.85,N(/NC(=O)c1ccc(cc1)C)=C(/c2ccc(cc2)F)\c(cc3)ccc3N(CC4)CCO4,0.0
3623,CO-ADD:0226228,18.85,S(=O)(=O)(N(c1ccc(cc1)OC)Cc(cc2F)cc(c2)F)c(ccc3n4c(C)nn3)c4,0.0
3624,CO-ADD:0250154,18.85,c1(NC(=O)c2ccccc2Cl)n(c3ccccc3)ncc1C(OCC)=O,0.0
3625,CO-ADD:0255770,18.85,C1(C(OCCCCCC)=O)=C(C)NC(NC1c2cccc(OC)c2OC)=O,0.0
3626,CO-ADD:0255802,18.85,c1(C(N2CCCCC2)c(cccc3[N+](=O)[O-])c3)nnnn1c4cccc(Cl)c4,0.0
3627,CO-ADD:0221121,18.85,n1nc(cn1c2ccccc2)CO,0.0
3628,CO-ADD:0256590,18.85,[N+](=O)([O-])c1ccccc1NC(CSc2nnc(\N=C\N(C)C)s2)=O,0.0
3629,CO-ADD:0256262,18.85,c1(Nc(cc2)ccc2[N+](=O)[O-])nc(NCc3ccco3)nc(NCc4ccco4)n1,0.0
3630,CO-ADD:0220059,18.85,C(NCCNC(=O)c1cccc(Br)c1)(=O)c2cccc(Br)c2,0.0
3631,CO-ADD:0256378,18.84,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(cc3)ccc3OC,0.0
3632,CO-ADD:0256691,18.84,C(/C#N)(\C(N)=O)=C/c(ccc1c2cccc(Cl)c2Cl)o1,0.0
3633,CO-ADD:0220184,18.84,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(ccc(c34)oc(c5ccc(cc5)C)n3)c4)[N+](=O)[O-],0.0
3634,CO-ADD:0255433,18.84,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc2cccc(O)c2,0.0
3635,CO-ADD:0255849,18.84,n12c(S\C(=C\c(cc3OC)cc(c3OC)OC)\C1=O)nc(cc4c5N(Cc6ccc(cc6Cl)Cl)C(N4Cc7ccc(cc7Cl)Cl)=O)c2c5,0.0
3636,CO-ADD:0221400,18.84,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)Nc(cc3)ccc3[N+](=O)[O-],0.0
3637,CO-ADD:0221089,18.84,N(c1c(cccn1)C)C(=O)c2cccs2,0.0
3638,CO-ADD:0256848,18.84,c1(nncs1)NC(=O)c2ccc(cc2)Cl,0.0
3639,CO-ADD:0221687,18.84,c1(SCc2cccc(cccc3)c23)oc(c4n1)cccc4,0.0
3640,CO-ADD:0257184,18.83,C(/C(C)=NN1c(ccc(c2C(O)=O)Cl)c2)(=C\c3c[nH]nc3c4ccccc4)\C1=O,0.0
3641,CO-ADD:0257050,18.83,n1(c2ccccc2)c(COc3ccccc3)nnc1SCC(=O)c(cccc4[N+](=O)[O-])c4,0.0
3642,CO-ADD:0256874,18.83,C1(C(=O)OC(C)CC)=C(C)NC(=O)NC1c2ccc(cc2)OC,0.0
3643,CO-ADD:0256811,18.83,N1(c(cc2)ccc2C(=O)C(c3ccccc3)=O)C(=O)c(c4C1=O)ccc(C(O)=O)c4,0.0
3644,CO-ADD:0256069,18.83,c1(N2CCCCC2)nc(N\N=C\c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3)nc(Nc(cc4)ccc4F)n1.Cl,0.0
3645,CO-ADD:0253253,18.83,c1(N\N=C\c2ccccc2Br)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
3646,CO-ADD:0226244,18.83,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(c3c2)OCO3)c(ccc4n5c(C)nn4)c5,0.0
3647,CO-ADD:0225860,18.83,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)NCc(cc4)ccc4C)=O,0.0
3648,CO-ADD:0253166,18.83,S(=O)(=O)(N1CCCC1)c2c(C)ccc(c2)C(=O)Nc(cc3)ccc3Cl,0.0
3649,CO-ADD:0253247,18.82,c(cc(Br)c(c1)OC)(\C=N\c(cc2)ccc2Nc3ccccc3)c1OC,0.0
3650,CO-ADD:0221092,18.82,N1(CCCC1=O)c2ccc(cc2)OC,0.0
3651,CO-ADD:0253334,18.82,c1(\C=N/Nc2nc(C)cc(C)n2)c3c(cccc3)cc(cccc4)c14,0.0
3652,CO-ADD:0221114,18.82,N1(CC(CC1=O)C(=O)Nc(cc2)ccc2Cc(cc3)ccn3)c4cc(C)ccc4C,0.0
3653,CO-ADD:0253719,18.82,s1c(c2cccc(C)c2)nnc1NC(=O)c(cc3)ccc3C(C)(C)C,0.0
3654,CO-ADD:0256100,18.82,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C/c(cc4)ccc4OC)nc(Nc(cc5)ccc5C)n1.Cl,0.0
3655,CO-ADD:0221413,18.82,C1(=O)Nc2c(Oc(ccc(c3)\N=C\c(cc4)ccc4[N+](=O)[O-])c13)cccc2,0.0
3656,CO-ADD:0253946,18.82,[N+](=O)([O-])c1ccc(cc1)\C=N\c2cccc(Cl)c2C,0.0
3657,CO-ADD:0221688,18.82,n1(c2c(nn1)cccc2)\C(\C(OCC)=O)=N\Nc3ccccc3,0.0
3658,CO-ADD:0253962,18.82,c1(c(OC)ccc(Cl)c1)NC(=O)CCN(CC2)CCN2C.Cl.Cl,0.0
3659,CO-ADD:0256591,18.82,C(CSc1ccccc1N)(=O)OCC(=O)c2ccc(cc2)Br,0.0
3660,CO-ADD:0218911,18.82,N(=C(\C)/c(cc1)ccc1c2ccccc2)/NC(CSc(cc3)ccc3Cl)=O,0.0
3661,CO-ADD:0255275,18.81,c1(C(OCC)=O)cc2c(ccc(c2)NC(C)=O)[nH]1,0.0
3662,CO-ADD:0226292,18.81,S(=O)(=O)(N(Cc1cccc(F)c1)c2cc(F)cc(F)c2)c(ccc3n4c(C)nn3)c4,0.0
3663,CO-ADD:0225364,18.81,c12n(ccn(c(nn3)CCC(NCCc(cc4)ccc4Cl)=O)c13)nc(c5cc(C)ccc5C)c2,0.0
3664,CO-ADD:0254005,18.81,C(CC)(NC(=O)OC1CCCCC1C)(C(F)(F)F)C(F)(F)F,0.0
3665,CO-ADD:0225881,18.81,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc4ccc(c(OC)c4)OC)C2=O,0.0
3666,CO-ADD:0256431,18.81,N(CN(CC1)CCC1C(N)=O)(N=C(N2c3ccccc3)c4ccccc4Cl)C2=S,0.0
3667,CO-ADD:0221763,18.81,N(C)(C(=O)\C(=C/NCCCCCCCCCCCCCCCCCC)\C(N1C)=O)C1=O,0.0
3668,CO-ADD:0221660,18.81,n1c(N2CCCC2)nc(nc1N(CC3)CCO3)N\N=C\c(cc(Br)cc4Br)c4O,0.0
3669,CO-ADD:0221261,18.81,C(C(OCC)=O)(C=NC(N1)=S)=C1N,0.0
3670,CO-ADD:0250537,18.81,N1(CC(=O)Nc(cc2)ccc2F)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
3671,CO-ADD:0249908,18.81,C1(Nc(c(Nc(cc2)ccc2I)nc3c4non3)n4)=C(C)N(N(c5ccccc5)C1=O)C,0.0
3672,CO-ADD:0256584,18.8,c12c(c3c(cccc3)[nH]1)nnc(S)n2,0.0
3673,CO-ADD:0256647,18.8,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3c[nH]nc3c4ccccc4,0.0
3674,CO-ADD:0250195,18.8,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
3675,CO-ADD:0253667,18.8,S(c1ccccc1)(=O)(=O)N2CCCC2C(=O)Nc3sc(c(C)c3C(OCC)=O)C,0.0
3676,CO-ADD:0256104,18.8,c1(N(C)C)nc(N\N=C/c(cc(OCO2)c2c3)c3Br)nc(Nc(cc4)ccc4F)n1.Cl,0.0
3677,CO-ADD:0250377,18.79,n1(c2c(n3)cccc2)c3S\C(=C\c(c(cccc4)c4n5Cc6ccccc6)c5)\C1=O,0.0
3678,CO-ADD:0226223,18.79,S(=O)(=O)(N(Cc(cc1)ccc1C)c2ccc(cc2)OC)c(ccc3n4c(C)nn3)c4,0.0
3679,CO-ADD:0250226,18.79,N1(CC(CC1C(=O)Nc(cc2)ccc2I)O)C(=O)OCc3ccccc3,0.0
3680,CO-ADD:0226167,18.79,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(cc2)CC)c3cccn(c(nn4)C)c34,0.0
3681,CO-ADD:0253727,18.79,c12c(c3c(NC(c4cccc(C)n4)O1)cccc3)nnc(SCCC)n2,0.0
3682,CO-ADD:0222312,18.79,n1c2c(oc1c3cccc(c3)\N=C\c4c(O)cc(c(Cl)c4C)C)ccc(C)c2,0.0
3683,CO-ADD:0221403,18.79,[N+](=O)([O-])c(cccc1C(=O)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3Br)c1,0.0
3684,CO-ADD:0219075,18.79,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\c(cc2)ccc2I)I,0.0
3685,CO-ADD:0221883,18.79,C(=O)(Nc(cc1)ccc1OCCCCC)C(=O)NCc2ccccc2,0.0
3686,CO-ADD:0221699,18.79,N1(CNc2cccc(F)c2)C(=O)\C(\SC1=S)=C/c3ccccc3Cl,0.0
3687,CO-ADD:0221336,18.78,c12c(c(nn1c3ccccc3)C)cc(C(=O)Nc(cc4)ccc4Cl)s2,0.0
3688,CO-ADD:0250671,18.78,n1(N)c(C)nnc1N\N=C\c2cccc(Cl)c2Cl.Cl.Cl,0.0
3689,CO-ADD:0255372,18.78,[N+](=O)([O-])c1ccc(cc1)NC(=O)c(c2c3cccc2)cc(n3)c4ccccc4,0.0
3690,CO-ADD:0253668,18.78,c1(nnc(Cc2ccccc2)s1)NC(=O)c3cccc(OC)c3,0.0
3691,CO-ADD:0253342,18.78,N1(C(=O)c2cccc(C)c2)N=C(CC1(O)C(F)(F)F)CC,0.0
3692,CO-ADD:0253993,18.78,c(c1c2ccccc2)(C3c(cc4)ccc4[N+](=O)[O-])c([nH]n1)OC(N)=C3C#N,0.0
3693,CO-ADD:0257168,18.78,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(c(OC)c4)OCC#N)c3C#N)C#N,0.0
3694,CO-ADD:0250736,18.78,S(=O)(=O)(N1CCCC1)c2c(C)ccc(c2)C(=O)Nc(cccc3[N+](=O)[O-])c3,0.0
3695,CO-ADD:0256875,18.78,C1(C(=O)OCc(ccc(c23)OCO2)c3)=C(C)NC(NC1c4ccc(c(Cl)c4)Cl)=O,0.0
3696,CO-ADD:0257068,18.78,C(NCCc(cc1)ccc1Cl)(=O)C(NCCCCCC)=O,0.0
3697,CO-ADD:0253810,18.78,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(cc3)OCc4ccccc4)c5c(C)nn(c6ccccc6)c5O,0.0
3698,CO-ADD:0226191,18.77,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(cc2)Cl)c3cccn(c(nn4)C)c34,0.0
3699,CO-ADD:0250555,18.77,C12(C)C(C1C(=O)N\N=C\c(ccc(c3OCC)OCc4ccccc4)c3)CCCC2,0.0
3700,CO-ADD:0255836,18.77,C(=O)(c1ccc(cc1)Cl)NCc(ccc(c23)OCO2)c3,0.0
3701,CO-ADD:0225755,18.77,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc4cccc(CC)c4)=O,0.0
3702,CO-ADD:0221464,18.77,c12c(cccc1NC(=O)c3c(Cl)ccc(c3)[N+](=O)[O-])C(=O)c(c4C2=O)cccc4,0.0
3703,CO-ADD:0221610,18.77,C(C(C)C)(=O)N\N=C(/C)\CC(NCC=C)=O,0.0
3704,CO-ADD:0221375,18.76,n(CC(OCC)=O)(c(cccc1)c1c2Sc3ccccc3)c2C,0.0
3705,CO-ADD:0221809,18.76,S(CCCCCCCCC)(NCCSCCCCCCCCCCCCCCCCCC)(=O)=O,0.0
3706,CO-ADD:0221518,18.76,N1(N(C)c2ccccc2)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
3707,CO-ADD:0221700,18.76,C(c1ccccc1)(c2ccccc2)(c3ccccc3)NC(=O)Nc4cccc(cccc5)c45,0.0
3708,CO-ADD:0221345,18.76,N1(N=C(CC1(O)c2ccc(cc2)F)C)C(=O)c(cccn3)c3,0.0
3709,CO-ADD:0250475,18.76,C(CSCc(cc1)ccc1OC)(=O)N\N=C\c2ccco2,0.0
3710,CO-ADD:0256440,18.75,N(CN(CC1)CCC1C(N)=O)(N=C(N2C)c3ccccc3Cl)C2=S,0.0
3711,CO-ADD:0220945,18.75,N1\C(=N\N=C\c(cc(I)cc2I)c2O)\S\C(=C\c(ccc(c3[N+](=O)[O-])Br)c3)\C1=O,0.0
3712,CO-ADD:0256484,18.75,c1(N(C)C)nc(SC)nc(NCCNS(=O)(=O)c2ccc(cc2)Cl)n1,0.0
3713,CO-ADD:0221630,18.75,N1C(C)(C)C\C(\CC1(C)C)=N\NC(CCCCCCCCCCCCCCCCC)=O,0.0
3714,CO-ADD:0221165,18.75,c1(c2nnnc1Cl)sc3c2cc(c4n3)COC(C)(C)C4,0.0
3715,CO-ADD:0256652,18.75,c1(cc(ccc1NC(=O)c2ccccc2I)Cc(ccc(c3C(O)=O)NC(=O)c4ccccc4I)c3)C(O)=O,0.0
3716,CO-ADD:0221240,18.75,[C@@]1(C)(CCC2C3CCc(cc(OC(C)=O)cc4)c24)C3C[C@@H](Br)C1=O,0.0
3717,CO-ADD:0221557,18.74,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
3718,CO-ADD:0221251,18.74,C(C(=O)OC(CC1)CCN1C)(=C(C)NC(=C2C(OCC)=O)C)C2c3ccc(c4c3)OCO4,0.0
3719,CO-ADD:0221709,18.74,C(C(c1ccc(cc1)OCCCC)Nc(cc2)ccc2I)C(=O)c3ccc(cc3)C,0.0
3720,CO-ADD:0221735,18.74,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(c(O)ccc1[N+](=O)[O-])c1,0.0
3721,CO-ADD:0221787,18.74,c1(ccccc1Br)C(=O)NCC(=O)N\N=C(/C)\C,0.0
3722,CO-ADD:0221607,18.74,c(cc(c1N(C(C(C)=O)[C@@]([C@@]23[H])([H])[C@H](C4)O[C@H](O4)C2=O)C35[H])C=C5)cc1,0.0
3723,CO-ADD:0255725,18.74,C(c1ccccc1NC(=O)c2ccco2)#Cc3ccccc3NC(=O)c4ccco4,0.0
3724,CO-ADD:0255679,18.74,C(=N/c(cc1)ccc1C(O)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
3725,CO-ADD:0255616,18.74,c1(ccccc1NC(c2ccccc2)=O)C(NCCCOC)=O,0.0
3726,CO-ADD:0253404,18.73,C(C(OCC)=O)(=C1C)\C(=C\c2ccccc2F)\C(N1c3ccc(cc3)C)=O,0.0
3727,CO-ADD:0253885,18.73,S1(=O)(=O)c(cccc2)c2C(NCC(O)CN(CC)CC)=N1.Cl,0.0
3728,CO-ADD:0225182,18.73,N12C(C=CC(C(=O)NCc3ccccc3)=C1)=NN(CC(=O)Nc4cccc(SC)c4)C2=O,0.0
3729,CO-ADD:0256493,18.73,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc(c5[N+](=O)[O-])N6CCCC(C)C6)c5,0.0
3730,CO-ADD:0222352,18.73,c1(oc(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
3731,CO-ADD:0218907,18.73,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(OCC)=O,0.0
3732,CO-ADD:0221384,18.73,N(c1ccccn1)C(COc(cc2)ccc2\C=N\c(cc3)ccc3c4ccc(cc4)\N=C\c(cc5)ccc5OCC(=O)Nc6ccccn6)=O,0.0
3733,CO-ADD:0221576,18.73,c1(nc(c2cccs2)cc3C(F)(F)F)n3nc(C(=O)Nc4ccccc4C(F)(F)F)n1,0.0
3734,CO-ADD:0221549,18.73,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc4ccccc4,0.0
3735,CO-ADD:0221230,18.73,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NCC(OCCCC)=O,0.0
3736,CO-ADD:0221701,18.72,c1(ccccc1I)C(NCCOCc2ccccc2)=O,0.0
3737,CO-ADD:0221304,18.72,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Nc4nnc(C)s4,0.0
3738,CO-ADD:0221311,18.72,C(c1ccccc1)(=O)NCC(=O)OC2CCCCC2,0.0
3739,CO-ADD:0253314,18.72,c1(C(=O)Nc(cc2)ccc2C(OC)=O)c(Cl)c3c(cccc3)s1,0.0
3740,CO-ADD:0250093,18.72,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
3741,CO-ADD:0249894,18.72,s1c(C(C)(C)C)nnc1NC(=O)c(cc2)ccc2C(C)(C)C,0.0
3742,CO-ADD:0255635,18.72,N1(c2ccc(cc2C)c(cc3)cc(c3N4C(=O)c(c5C4=O)ccc(c5)C(=O)Nc6ccccc6OC)C)C(=O)c(c7C1=O)ccc(c7)C(=O)Nc8ccccc8OC,0.0
3743,CO-ADD:0256860,18.72,c1(sc(c2n1)cccc2)NC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
3744,CO-ADD:0257053,18.71,C(/c1ccccc1)(=C/c(cc2)ccc2N)\C(O)=O,0.0
3745,CO-ADD:0255695,18.7,c1(C#N)c2c(sc1\N=C\c3c(cccc3Cl)Cl)CCC2,0.0
3746,CO-ADD:0255863,18.7,n1(c2ccccc2)c(CCCO)nnc1S,0.0
3747,CO-ADD:0256628,18.7,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)Nc2c(Cl)ccc(Cl)c2,0.0
3748,CO-ADD:0225198,18.7,c12n(C=CN(Cc(cc3)ccc3F)C1=O)c(nn2)SCC(=O)NC4CCCC4,0.0
3749,CO-ADD:0256108,18.7,c1(N(C)C)nc(N\N=C/c(ccc(c2[N+](=O)[O-])Cl)c2)nc(Nc(cc3)ccc3F)n1.Cl,0.0
3750,CO-ADD:0226350,18.7,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc(cc4)ccc4CC,0.0
3751,CO-ADD:0225172,18.7,c12n(C=CN(c3ccc(cc3)OC)C1=O)c(nn2)c(cc4)ccc4[N+](=O)[O-],0.0
3752,CO-ADD:0249961,18.7,C(=O)(Nc1cccc(C)n1)c2ccc(cc2Cl)Cl,0.0
3753,CO-ADD:0249932,18.69,C1(C#N)(C#N)C(c2ccc(cc2)OC)C3C(C(C#N)=C1N)=CCCC3,0.0
3754,CO-ADD:0221546,18.69,N1(c2ccccc2C(O)=O)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
3755,CO-ADD:0221565,18.69,c1(Nc2ccccc2)sc(c(nc(n3)N)c1C#N)c3N.[Na+],0.0
3756,CO-ADD:0221301,18.69,c1(cc(Br)ccc1O)\C=N\c2cccc(cccc3)c23,0.0
3757,CO-ADD:0249901,18.69,C1(c2ccccc2)=C(C1C(=O)Nc3cccc(Br)c3)c4ccccc4,0.0
3758,CO-ADD:0250078,18.69,s1c(N)nnc1CC(=O)N\N=C\c2c(cccc2Cl)Cl,0.0
3759,CO-ADD:0253252,18.69,S(=O)(=O)(N(CC1)CCO1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c(ccc(c3[N+](=O)[O-])N4CCCC4)c3,0.0
3760,CO-ADD:0253316,18.69,n1(c2cc(C)ccc2OC(=O)C(c3c4cccc3)c5c(O4)cccc5)nc6c(cccc6)n1,0.0
3761,CO-ADD:0253902,18.69,C12=C(C(NC(c(cc3Br)cc(c3OCc4ccccc4)Br)N1)=O)SC(=S)N2c5ccccc5,0.0
3762,CO-ADD:0253697,18.68,s1c(N)nnc1SCC(NCCCCNC(CSc2nnc(N)s2)=O)=O,0.0
3763,CO-ADD:0255500,18.68,C(=O)(Nc1cccc(F)c1)c2ccccc2C(=O)c3[nH]ccn3,0.0
3764,CO-ADD:0226332,18.68,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(=O)Nc(ccc(c4F)C)c4,0.0
3765,CO-ADD:0226380,18.68,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(=O)N(CC4)CCO4)=O,0.0
3766,CO-ADD:0256205,18.68,n1(Cc2ccccc2)c(cccc3)c3c(SC)c1CC(NCCCO)=O,0.0
3767,CO-ADD:0256037,18.68,c(C(OCC)=O)(c(cc(O)c(c1)Br)c1n2Cc3ccccc3)c2CN4CCCCC4,0.0
3768,CO-ADD:0226287,18.68,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(c(F)c2)F)c(ccc3n4c(C)nn3)c4,0.0
3769,CO-ADD:0221733,18.68,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(cc1)ccc1N(CC)CC,0.0
3770,CO-ADD:0255835,18.68,C(=O)(c1ccc(cc1)F)NCc(ccc(c23)OCO2)c3,0.0
3771,CO-ADD:0221082,18.68,n(Cc1ccccc1)(c2c(c3\C=N\c(cc4)ccc4C)cccc2)c3C,0.0
3772,CO-ADD:0219470,18.68,C(=O)(N\N=C\c(cc1)ccc1OC)CN(C)c2ccccc2,0.0
3773,CO-ADD:0221457,18.68,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc(cc2)ccc2c(cc3)ccc3NC(=O)c4c(Cl)ccc(c4)[N+](=O)[O-],0.0
3774,CO-ADD:0256760,18.67,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OC)cc(c5O)Br,0.0
3775,CO-ADD:0255319,18.67,C(=N)(N1CCCCC1)\C(\C#N)=N\Nc(cc2)ccc2Br,0.0
3776,CO-ADD:0250277,18.66,N1(c(cc2)ccc2C(=O)Nc(cc3)ccc3c4oc(c5n4)cccc5)C(=O)c(c6C1=O)ccc(c6)C(=O)Nc(cc7)ccc7c8oc(c9n8)cccc9,0.0
3777,CO-ADD:0250371,18.66,c(C#N)(c(\C(\C#N)=C\c1ccccc1OC)nn2c3ccccc3)c2N,0.0
3778,CO-ADD:0250355,18.66,N(c1c(C)cccc1C)(CC(=O)N2CCCCC2)S(C)(=O)=O,0.0
3779,CO-ADD:0250180,18.66,c1(C#N)c(SCc2ccccc2)nsc1N\N=C\c3cccc(OC)c3,0.0
3780,CO-ADD:0254058,18.66,N1(c2ccccc2)C(=O)C(CC1=O)S\C(\NCC)=N\c(cc3)ccc3Cl,0.0
3781,CO-ADD:0253516,18.66,C1(C#N)(C#N)[C@H](c2ccc(cc2)OCC)[C@@]([H])(C3)C(C(C#N)=C1N)=CCN3CC,0.0
3782,CO-ADD:0226233,18.66,S(=O)(=O)(N(Cc1ccccc1)c2ccc(cc2)OCC)c(ccc(n3c4)nn4)c3,0.0
3783,CO-ADD:0225783,18.66,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4ccccc4OCC)=O,0.0
3784,CO-ADD:0253445,18.66,N1(c2cccc(c2)C(=O)Nc3ccccc3O)C(=O)c(c4C1=O)ccc(c4)[N+](=O)[O-],0.0
3785,CO-ADD:0253509,18.65,c1(N(c2ccccc2)c3ccccc3)nc(Cl)nc(N(CC4)CCN4c5cccc(Cl)c5)n1,0.0
3786,CO-ADD:0253793,18.65,N1c(ccc(c2)C(=O)OCC(=O)c(cc3)ccc3c4ccccc4)c2C5C(CC=C5)C1c(cc6)ccc6[N+](=O)[O-],0.0
3787,CO-ADD:0256283,18.65,C12(C3CCC(C=C3)C1(C#N)C(=NC2(OC)OC)N)C#N,0.0
3788,CO-ADD:0255624,18.65,N1(c2ccc(cc2)Cl)C(c3ccc(cc3)Cl)CC(c4ccc(cc4)Cl)=N1,0.0
3789,CO-ADD:0253537,18.65,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
3790,CO-ADD:0253586,18.64,c(cc(C(=O)Nc(cc1)ccc1Br)cc2[N+](=O)[O-])([N+](=O)[O-])c2Nc(cc3)ccc3Oc4ccccc4,0.0
3791,CO-ADD:0253739,18.64,N1C(=O)\C(\SC1=O)=C/c2ccccc2Sc(cc3)ccc3Cl,0.0
3792,CO-ADD:0225766,18.64,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc(cccc4C(OC)=O)c4)=O,0.0
3793,CO-ADD:0226942,18.64,C1(=N2)N(c3c(cccc3)N=C1N(CC4)CCO4)C(N2CC(=O)Nc5cccc(Cl)c5C)=O,0.0
3794,CO-ADD:0254074,18.64,C(C(OCC)=O)(C(c(cc1OC)cc(c1OC)OC)C2=C(N3c4cccc(C)c4)CCCC2=O)=C3N,0.0
3795,CO-ADD:0225376,18.64,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)N(C)c5ccccc5,0.0
3796,CO-ADD:0250173,18.64,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(OC)=O,0.0
3797,CO-ADD:0250722,18.64,C(=C\c(cc1OC)cc(c1O)OC)(/C(=O)NN2c3ccc(c(C)c3)C)\C2=O,0.0
3798,CO-ADD:0256702,18.64,n1c(c(cc2)ccc2C#Cc3ccccc3)[nH]c(c4ccccc4)c1c(ccc(c56)c(c7C5=O)cccc7)c6,0.0
3799,CO-ADD:0226145,18.63,S(=O)(=O)(N(Cc1cccc(C)c1)c2ccc(cc2)Cl)c3cccn(c(nn4)CC)c34,0.0
3800,CO-ADD:0225762,18.63,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc4ccc(c(OC)c4)OC)=O,0.0
3801,CO-ADD:0225786,18.63,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc(cc4)ccc4C#N)=O,0.0
3802,CO-ADD:0226138,18.63,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(cc2)CC)c3cccn(c(nn4)CC)c34,0.0
3803,CO-ADD:0221781,18.63,C(=O)(Nc1ccc(c(OC)c1)OC)NC(C)c2cccc(cccc3)c23,0.0
3804,CO-ADD:0250725,18.63,C(=C\c1cccc(Br)c1)(/C(=O)NN2c3ccc(cc3)Cl)\C2=O,0.0
3805,CO-ADD:0221770,18.63,[N+](=O)([O-])c(c1)cc(cc1C(=O)N(C)CCOc2ccccc2)[N+](=O)[O-],0.0
3806,CO-ADD:0256473,18.63,c1(nnc(C)s1)NC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],0.0
3807,CO-ADD:0254057,18.62,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)S\C(\NCCCO)=N\c3ccccc3,0.0
3808,CO-ADD:0225792,18.62,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4ccccc4Br)=O,0.0
3809,CO-ADD:0226184,18.62,S(=O)(=O)(N(Cc1ccccc1F)c2cc(F)cc(F)c2)c3cccn(c(nn4)C)c34,0.0
3810,CO-ADD:0253683,18.62,N1(N=C(CC1(O)c2ccc(cc2)Br)CC)C(=O)c3ccccc3C,0.0
3811,CO-ADD:0226913,18.62,n(c1c(cccc1)nc2SCC(=O)Nc3c(OC)ccc(Cl)c3)(c(C(C)C)nn4)c24,0.0
3812,CO-ADD:0250517,18.62,N1(C(=O)c(cc2)ccc2[N+](=O)[O-])N=C(CC1(C)O)C,0.0
3813,CO-ADD:0253891,18.61,N1(CN2CCCc(cc(OC)cc3)c23)N=C(N(C)C1=S)COc4ccccc4,0.0
3814,CO-ADD:0255876,18.61,c(c1c(s2)CCCC1)(C(=O)N(C)C(=N3)SCC(=O)Nc4ccccc4OC(C)C)c23,0.0
3815,CO-ADD:0255397,18.61,N1(C2c3ccccc3)C(S\C(=C\c(cc(OC)c(c4)OC)c4Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
3816,CO-ADD:0255709,18.61,C(Nc1ccc(cn1)C)(C(F)(F)F)(C(F)(F)F)NC(OCC)=O,0.0
3817,CO-ADD:0225799,18.6,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4ccc(cc4C)Br)=O,0.0
3818,CO-ADD:0226959,18.6,N1(c(ccs2)c2C(N3CCC(C)C)=O)C3=NN(CC(=O)Nc4ccccc4CC)C1=O,0.0
3819,CO-ADD:0253223,18.6,c1(NC(=O)C(CC)Sc2nc(C)cc(C)n2)sc(c3c1C#N)CCCC3,0.0
3820,CO-ADD:0253448,18.6,S(=O)(=O)(N(CC)CC)c1c(Cl)ccc(c1)C(=O)NC2CCCCCC2,0.0
3821,CO-ADD:0253488,18.6,n1(c2cccc(cccc3)c23)nnnc1SCC(=O)N4CCCc(cccc5)c45,0.0
3822,CO-ADD:0250330,18.6,c1(SCC(=O)N\N=C(\C2)/CCCCC2)ncccn1,0.0
3823,CO-ADD:0255458,18.6,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cc3)ccc3[N+](=O)[O-])c4sc(c5c4C(OC)=O)CCCC5,0.0
3824,CO-ADD:0249945,18.6,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c3ccc(cc3)Cl,0.0
3825,CO-ADD:0254044,18.59,N1(CC)C(=O)\C(\SC1=S)=C\c2c(cccc2Cl)Cl,0.0
3826,CO-ADD:0250013,18.59,n1c(N2CCCCC2)c(Nc3cccc(Cl)c3)nc(non4)c14,0.0
3827,CO-ADD:0256287,18.59,n1c(c(cc2)ccc2[N+](=O)[O-])csc1\C(\C#N)=C\c3sccc3C,0.0
3828,CO-ADD:0332367,18.59,c1(N2)n(nc(SC)n1)C(C3=C2CC(C)(C)CC3=O)c4ccccc4,0.0
3829,CO-ADD:0256560,18.59,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)F)c4sc(c5c4C#N)CCCCC5,0.0
3830,CO-ADD:0256996,18.59,C(COc(cc1)ccc1C2CCCCC2)(NCCOc3ccccc3C)=O,0.0
3831,CO-ADD:0255323,18.59,[B]123([H])([B]45([B]16(S47)([B]2([B]89%10[H])([B]678[H])([B]39%11([B]%10%12([H])[N]%13=CC=C(C)C=C%13)[H])[H])[H])[H])[B]5%11%12[H],0.0
3832,CO-ADD:0250730,18.59,n1(nncc1C(C)(C)O)c2nonc2N,0.0
3833,CO-ADD:0255784,18.59,C1(C(=O)OCC(F)(F)F)=C(C)NC(NC1c(ccc(c23)OCO2)c3)=O,0.0
3834,CO-ADD:0250029,18.58,n1(nnc(C(=O)N\N=C(/C)\c2ccc(c(OC)c2)O)c1CN(CC)CC)c3nonc3N,0.0
3835,CO-ADD:0331731,18.58,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(c(OC)c5)O,0.0
3836,CO-ADD:0330742,18.58,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(c(OC)c3)OC)cc2C(=O)N(CC4)CCN4C56CC(CC7C5)CC(C7)C6,0.0
3837,CO-ADD:0249891,18.58,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(OC)c(cc5Br)OCC(OCC)=O,0.0
3838,CO-ADD:0256257,18.58,c1(NC(=O)C(CC)SC2=NC(C(c3ccccc3)C(=O)N2)=O)sc(c4c1C#N)CCCC4,0.0
3839,CO-ADD:0255446,18.58,C(C(C)=O)(C1c2ccc(cc2)F)=C(O)C(N1CCN(CC)CC)=O,0.0
3840,CO-ADD:0331134,18.58,n1(Cc(cc2)ccc2OCCC)c3c(nc1C(C)O)cccc3,0.0
3841,CO-ADD:0331598,18.58,c1(C(=O)Nc(cc2)ccc2Cl)nnn(Cc(cc3)ccc3OC)c1N,0.0
3842,CO-ADD:0255812,18.58,c1(Nc2cccc(C)c2)sc(c3n1)CCC3,0.0
3843,CO-ADD:0331230,18.57,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)Nc2cccc(OCCCC)c2)Cl)c1,0.0
3844,CO-ADD:0250033,18.57,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccccc3)c4sc(c5c4C#N)CCCCC5,0.0
3845,CO-ADD:0255805,18.57,s1c(c(cc2)ccc2C(C)(C)C)nnc1NC(=O)c3cccs3,0.0
3846,CO-ADD:0250305,18.57,N1(c2ccccc2[N+](=O)[O-])C(CCCC3=O)=C3C(C(C(OC)=O)=C1N)c4ccc(cc4)OC,0.0
3847,CO-ADD:0332055,18.57,n1(n2)c(nc(cc1C(F)(F)F)c(ccc(c34)OCO3)c4)cc2C(=O)N(CC5)CCN5C67CC8CC(CC(C8)C6)C7,0.0
3848,CO-ADD:0256952,18.57,N1(c(ccc(c2s3)nc3SCC(c4ccccc4)=O)c2)C(=O)c5c(cccc5)C1=O,0.0
3849,CO-ADD:0255683,18.56,c1(Nc2cccc(cccc3)c23)sc(c(c4ccc(c(Cl)c4)Cl)n1)CCC,0.0
3850,CO-ADD:0256362,18.56,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(cc3)ccn3,0.0
3851,CO-ADD:0248224,18.56,C(C(OCC)=O)(C1c2ccc(cc2)Br)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
3852,CO-ADD:0247815,18.56,C(O)(=O)c1ccc(cc1)N\N=C(\C)/C=C/c2ccccc2,0.0
3853,CO-ADD:0252578,18.55,C1(C)(\C(\C2)=N/Nc3ncc(c4ccc(cc4)Cl)s3)C(C)(C)C2CC1,0.0
3854,CO-ADD:0252980,18.55,N1(C(=O)c(cccc2[N+](=O)[O-])c2)N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
3855,CO-ADD:0252316,18.55,C(/c1c2cccc1)(\c3c2cccc3)=N/NS(CCCCCCCC)(=O)=O,0.0
3856,CO-ADD:0248208,18.55,c1(SC(C)C(=O)N\N=C(/C)\c2ccccc2O)nc(C)cc(C)n1,0.0
3857,CO-ADD:0254925,18.55,c(n1)(c2)c(ccc2C(=O)Nc(cc3)ccc3C)ns1,0.0
3858,CO-ADD:0252891,18.55,N1(c2ccccc2c3ccccc3)C(=O)c(c4C1=O)ccc(c4)C5=Nc6c(ccc(Cl)c6)C(=O)O5,0.0
3859,CO-ADD:0247419,18.55,c1(N2CCC(CC2)C)nc(Cl)nc(NC(C)(C)CO)n1,0.0
3860,CO-ADD:0252292,18.55,C(Cc1ccccc1)(\N=C\c2ccccc2O)C(O)(c3ccccc3)c4ccccc4,0.0
3861,CO-ADD:0253088,18.55,c1(\C=N\NC(=O)CCSc(cc2)ccc2Cl)cc(OC)ccc1OC,0.0
3862,CO-ADD:0253145,18.54,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c(ccc(c2OC)OCc3ccc(cc3Cl)Cl)c2)F,0.0
3863,CO-ADD:0253813,18.54,c(C#N)(c1C)c(N)sc1C(=O)N\N=C\c(ccc(c2[N+](=O)[O-])O)c2,0.0
3864,CO-ADD:0250192,18.54,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
3865,CO-ADD:0257078,18.54,C(=O)(N\N=C\c1cc(Br)ccc1O)C(=O)NC2CCCCC2,0.0
3866,CO-ADD:0253257,18.54,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(NCCc(ccc(c2OC)OC)c2)=O)c3c(OC)ccc(OC)c3,0.0
3867,CO-ADD:0331887,18.54,S(=O)(=O)(c1ccc(c(OC)c1)Cl)N(CC2)CCN2c3cccc(C)c3C,0.0
3868,CO-ADD:0331919,18.54,C1(=Cc2c(OC1=O)cccc2)C(=O)N(CC3)CCN3c4ccccc4OC,0.0
3869,CO-ADD:0332243,18.54,C1(=C(N2CCCCC2)C(c(cccc3)c3C1=O)=O)n4c5c(nn4)cccc5,0.0
3870,CO-ADD:0332632,18.54,C(C(OC)=O)(=CN(c1ccc(cc1)F)C=C2C(OC)=O)C2c(cccc3[N+](=O)[O-])c3,0.0
3871,CO-ADD:0332377,18.53,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3cc(F)c(cc3Cl)F)N(CC4)CCO4)[N+](=O)[O-],0.0
3872,CO-ADD:0253738,18.53,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=S)=C/c(cc(n3c4ccccc4)C)c3C,0.0
3873,CO-ADD:0250710,18.53,S(=O)(=O)(N1CCCC1)c(ccc(c2C(=O)Nc3cccc(O)c3)Cl)c2,0.0
3874,CO-ADD:0332044,18.53,C(Nc1ccccc1N)(OC(C)=CC2=O)=C2C(C)=O,0.0
3875,CO-ADD:0252587,18.53,c(C(=O)Nc(cc1)ccc1O)(c2)oc(c2COc3ccccc3)C,0.0
3876,CO-ADD:0255241,18.53,C(C(OC)=O)(C(c1ccc(c(OC)c1)OC)C2=C(N3c4ccccc4F)CC(C)(C)CC2=O)=C3N,0.0
3877,CO-ADD:0248093,18.53,S(N)(=O)(=O)c1ccc(cc1)NC(CSc2nncn2C)=O,0.0
3878,CO-ADD:0253140,18.53,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C(/C)\c4ccccc4O)C2,0.0
3879,CO-ADD:0253099,18.52,n1(c(COC)nnc1SCc2cccc(Br)c2)c3cccc(cccc4)c34,0.0
3880,CO-ADD:0331063,18.52,c(c(O)ccc1N(N=NN2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S)c1,0.0
3881,CO-ADD:0331753,18.52,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(=O)OCC(C)C,0.0
3882,CO-ADD:0331451,18.52,c(sc(c12)nc(cc1C(F)(F)F)c3cccs3)(C4=NC(Cc(cccc5)c45)(C)C)c2N,0.0
3883,CO-ADD:0331540,18.52,c1(sc(c2n1)cccc2)Nc(nc3)nc(c34)CC(CC4=O)(C)C,0.0
3884,CO-ADD:0256894,18.52,n1(c2ccccc2)c(SCC(=O)Nc(cccc3C(F)(F)F)c3)nnc1c4ccco4,0.0
3885,CO-ADD:0256289,18.52,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCc5ccccc5)c3,0.0
3886,CO-ADD:0250597,18.52,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cc4)ccc4OCc5ccccc5,0.0
3887,CO-ADD:0256175,18.52,c(nn(c12)c(C)cc(C)n1)(n2)S(=O)(=O)Nc3c(Cl)nc(c(Cl)c3C)C,0.0
3888,CO-ADD:0255382,18.52,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5)ccc5N(C)C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
3889,CO-ADD:0331950,18.51,S(=O)(=O)(c1ccc(c(C)c1)OC)NC(c(cccc2[N+](=O)[O-])c2)CC(OCC)=O,0.0
3890,CO-ADD:0331410,18.51,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3C(CCC)=O)n2)Cc(ccc(c4Cl)Cl)c4,0.0
3891,CO-ADD:0250438,18.51,c1(C#N)c2c(sc1\N=C\c(cc3Br)cc(c3OCc(cc4)ccc4C)Br)CCCC2,0.0
3892,CO-ADD:0256080,18.51,c1(N(CC2)CCO2)nc(N\N=C\c3cc(Br)ccc3O)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
3893,CO-ADD:0256791,18.51,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(=O)Nc2cccc(F)c2,0.0
3894,CO-ADD:0252698,18.51,C1(=CC(Oc(cccc2)c12)=O)P(OC)(OC)=O,0.0
3895,CO-ADD:0252644,18.5,c1(c(O)cc(c2c1)cccc2)C(=O)N\N=C(/C)\CC(=O)Nc3ccccc3Br,0.0
3896,CO-ADD:0252617,18.5,c1(cnn(C)c1C(=O)Nc2ccccc2C(O)=O)[N+](=O)[O-],0.0
3897,CO-ADD:0256984,18.5,C(=C\c(cc1)ccc1C(OC)=O)(/C(c2ccccc2)=NN3c(cc4)ccc4[N+](=O)[O-])\C3=O,0.0
3898,CO-ADD:0331680,18.5,C(F)(F)(F)c(cc(c1ccco1)nc2SCCC(=O)N(C)c3ccc(cc3)OC(F)(F)F)n2,0.0
3899,CO-ADD:0331112,18.5,S(=O)(=O)(c1ccc(cc1)Cl)N(Cc2ccccc2F)CC(=O)NCc(cc3)ccn3,0.0
3900,CO-ADD:0331128,18.5,c1(ccc(CCC(O)=O)o1)c2cccs2,0.0
3901,CO-ADD:0256762,18.49,c1(cnc(C)n1CCOc2c(C)non2)[N+](=O)[O-],0.0
3902,CO-ADD:0331489,18.49,C1(C(F)(F)F)(NC(=O)c2ccccc2OC)C(=O)N(C(=O)N1)C,0.0
3903,CO-ADD:0331129,18.49,c1(c2ccc(cc2)OC)ccc(CCC(O)=O)[nH]1,0.0
3904,CO-ADD:0253015,18.49,S(=O)(=O)(N(CC1)CCN1C)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c(cc3)ccc3OC,0.0
3905,CO-ADD:0253040,18.49,C12(c3c(NC1=O)cccc3)SC(C(=O)N2c4cccc(Cl)c4)C,0.0
3906,CO-ADD:0331955,18.49,C1(C(NCCc(c2c([nH]3)ccc(Br)c2)c3C)=O)=Cc(c4)c(OC1=O)c(cc4[N+](=O)[O-])OC,0.0
3907,CO-ADD:0253439,18.49,C(=O)(Nc(ccc(c1C)C)c1)c(cc(cc2C(=O)Nc(ccc(c3C)C)c3)NC(=O)C(C)(C)C)c2,0.0
3908,CO-ADD:0257151,18.49,c12c(nnc(SCC(=O)Nc3nnc(C(C)C)s3)n1)c4c(cccc4)n2CC=C,0.0
3909,CO-ADD:0256348,18.49,c1(NC(COC(CSc2nc(C)cc(C)n2)=O)=O)sc3c(ccc(C)c3)n1,0.0
3910,CO-ADD:0252297,18.49,c1(ccc(cc1Cl)Cl)C(=O)Nc2ccc(cc2C#N)Cl,0.0
3911,CO-ADD:0253068,18.49,n1(c(C)c(nn1)C(OCC=C)=O)c2nonc2N,0.0
3912,CO-ADD:0253108,18.49,C(N)(SCC(=O)NC(C)c1ccccc1)=N.Cl,0.0
3913,CO-ADD:0252393,18.49,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3OCC#N)OC)c3.Cl,0.0
3914,CO-ADD:0254399,18.49,c12c(cnn1C)c(c3N(CC)C2=O)cc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
3915,CO-ADD:0252401,18.48,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)N\N=C\c(c(cccc4)c4n5Cc6ccc(cc6Cl)Cl)c5.Cl,0.0
3916,CO-ADD:0247396,18.48,N(C(=O)C(CC)C(N1)=O)=C1SCC(=O)Nc2ccccn2,0.0
3917,CO-ADD:0247383,18.48,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c3ccccc3F,0.0
3918,CO-ADD:0252473,18.48,N1(CC(=O)Nc(cccc2C(F)(F)F)c2)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
3919,CO-ADD:0252474,18.48,c1(NC(CSc2sc(c3n2)cccc3)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
3920,CO-ADD:0247998,18.48,O1C(=O)C=Cc(ccc(OC(COc(ccc(c23)cccc2)c3)=O)c4)c14,0.0
3921,CO-ADD:0252636,18.48,N1(CCOC(C)=O)C(=O)c2c(c(ccc3N(CC4)CCO4)C1=O)c3ccc2,0.0
3922,CO-ADD:0252585,18.47,C(c1ccccc1)(=O)NCC(=O)N\N=C\c(cc2)ccc2NC(C)=O,0.0
3923,CO-ADD:0247947,18.47,n1c(N)[nH]nc1SCCCCCCCCC,0.0
3924,CO-ADD:0247892,18.47,N1(c2ccccc2c3ccccc3)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5ccccc5c6ccccc6,0.0
3925,CO-ADD:0331322,18.46,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)N(C(=O)N1)C,0.0
3926,CO-ADD:0331362,18.46,c1(nonc1NC(C)=O)N2C(=O)CSC2=N,0.0
3927,CO-ADD:0247341,18.46,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(Cl)c5Cl,0.0
3928,CO-ADD:0252733,18.46,c1(C(F)(F)F)nc(c2ccc(cc2)Br)cc(c3ccc(cc3)Br)n1,0.0
3929,CO-ADD:0254909,18.46,c12c(non1)N\C(=N/OC(C)=O)\C(Nc(cc3)ccc3C(OCC)=O)=N2,0.0
3930,CO-ADD:0330810,18.46,c1(C(OC)=O)sc2c(c(COC)cc(C)n2)c1n3cccc3,0.0
3931,CO-ADD:0250091,18.46,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
3932,CO-ADD:0253153,18.45,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)Nc3cccc(O)c3,0.0
3933,CO-ADD:0250291,18.45,C(/S\C(\C1=O)=C/c(cc(OCO2)c2c3)c3Cl)(=N\C(C)=O)\N1,0.0
3934,CO-ADD:0248182,18.45,c1(SCC(NCCc(ccc(c2OC)OC)c2)=O)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
3935,CO-ADD:0248175,18.45,c1(C(F)(F)F)c(c2cccc(Cl)c2)nc(c3n1)cccc3,0.0
3936,CO-ADD:0247356,18.45,n1(nnc(C(=O)N\N=C(\CCC)/c2ccccc2)c1CN3CCCCC3)c4nonc4N,0.0
3937,CO-ADD:0254859,18.45,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
3938,CO-ADD:0252404,18.45,c1(N2CCCCC2)nc(N\N=C\c(ccc3c4cccc(Cl)c4)o3)nc(Nc(cc5)ccc5F)n1,0.0
3939,CO-ADD:0248269,18.45,c1(c2ccccc2Cl)nnn(CC(=O)N([H])\N=C\c(ccc(c3[N+](=O)[O-])Cl)c3)n1,0.0
3940,CO-ADD:0252284,18.44,N(/c(cc1)ccc1OC(C)=O)=C\c(cc2)ccc2OC,0.0
3941,CO-ADD:0252949,18.44,C(CSc1ccccn1)(=O)Nc2cccc(OCCCC)c2,0.0
3942,CO-ADD:0248103,18.44,c1(NC(CSC(c2ccccc2)=O)=O)nnc(CC)s1,0.0
3943,CO-ADD:0252885,18.44,N1(c2ccc(c(C)c2)C)C(=O)c(c3C1=O)ccc(c3)C(O4)=Nc(c5C4=O)ccc(I)c5,0.0
3944,CO-ADD:0252732,18.44,[N+](=O)([O-])c1ccccc1C(=O)N\N=C\c2cc(Br)ccc2O,0.0
3945,CO-ADD:0252722,18.44,c1(cc(sc1S(C)(=O)=O)C)c(nsc2C(Cl)(Cl)Cl)n2,0.0
3946,CO-ADD:0331524,18.44,n1(C2CCOC(C)(C)C2)nc(cc1N)O,0.0
3947,CO-ADD:0248275,18.44,c1(C(=O)N\N=C\c(cc(Br)cc2Br)c2OCC=C)nonc1N,0.0
3948,CO-ADD:0256195,18.44,C(=O)(NNC(COc1ccccc1)=O)C(=O)NC(C)(C)C,0.0
3949,CO-ADD:0256043,18.44,n1(N)c(C)nnc1N\N=C\c(cc2)cc(c2OC(C)=O)OCC.Cl.Cl,0.0
3950,CO-ADD:0249920,18.44,n12c(S\C(=C\c(cc(Br)cc3Br)c3OCC=C)\C1=O)nc(cc(C)c(C)c4)c24,0.0
3951,CO-ADD:0331585,18.44,C(F)(F)(F)c(cc(c1ccc(cc1)OC)nc2SCCC(=O)N(C)c3ccc(cc3)OC(F)(F)F)n2,0.0
3952,CO-ADD:0331209,18.43,n1c(c(cc2)ccc2S(C)(=O)=O)nnn1CC(NCCc(ccc(c3OC)OC)c3)=O,0.0
3953,CO-ADD:0256578,18.43,C1(C)(CC[C@H](C2(C)C)OC(C)=O)C2CC=C(C)C1COc(ccc(c34)C=CC(=O)O3)c4,0.0
3954,CO-ADD:0255666,18.43,S(=O)(=O)(N(CC1)CCO1)c2csc(C(=O)Nc3cccc(C)c3)c2,0.0
3955,CO-ADD:0255791,18.43,C1(C(OCCC)=O)=C(C)NC(=O)NC1c(cc2)ccc2N(C)C,0.0
3956,CO-ADD:0331961,18.43,C1(=Cc(c2)c(OC1=O)ccc2[N+](=O)[O-])C(=O)NC(c3ccc(cc3)OC)CC(OCC)=O,0.0
3957,CO-ADD:0255761,18.43,c12c(cccn1)cccc2SCCO,0.0
3958,CO-ADD:0253225,18.43,c1(NC(=O)C(CC)Sc2nncn2C)sc(c3c1C#N)CCCC3,0.0
3959,CO-ADD:0256210,18.43,N1(c2ccc(cc2)OC)C(=O)C3C(C4\C(=C(\CCC5)/C5)\C3C=C4)C1=O,0.0
3960,CO-ADD:0255945,18.43,S(=O)(=O)(N(CC1)CCO1)c2c(F)ccc(c2)C(=O)Nc(cc3)ccc3O,0.0
3961,CO-ADD:0256729,18.42,c1(SCC(=O)Nc(ccc(c2s3)nc3SC)c2)sc4c(ccc(c4)\N=C\c5ccccc5O)n1,0.0
3962,CO-ADD:0250382,18.42,C(=C/c(cc1OC)cc(c1O)OC)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
3963,CO-ADD:0255962,18.42,C(=N/c(cc1)ccc1C(c2ccccc2)=O)(/c3c(N4)cccc3)\C4=O,0.0
3964,CO-ADD:0253693,18.42,n1c(COC(=O)C(CCC)NC(c2ccccc2)=O)c(oc1c3ccccc3)COC(=O)C(CCC)NC(c4ccccc4)=O,0.0
3965,CO-ADD:0255939,18.42,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2[N+](=O)[O-])c1)N3CCCC3,0.0
3966,CO-ADD:0332591,18.42,[N+](=O)([O-])c1ccc(cc1NC(C)C23CC(CC4C2)CC(C4)C3)N(CC5)CCN5C(=O)c6ccc(cc6)OC,0.0
3967,CO-ADD:0256907,18.42,C(=O)(NNC(=O)c1ccc(cc1)Oc(cc2)ccc2C(=O)NNC(=O)C(F)(F)F)C(F)(F)F,0.0
3968,CO-ADD:0332011,18.42,C1(C(NCCc(c2c([nH]3)ccc(Br)c2)c3C)=O)=Cc(c4)c(OC1=O)ccc4[N+](=O)[O-],0.0
3969,CO-ADD:0257125,18.42,N1C(SCC(=O)Nc2ccccc2C#N)=NN=C(C)C1=O,0.0
3970,CO-ADD:0332105,18.42,S(=O)(=O)(Oc(cc1C)c2c(n1)cccc2)c3ccc(c(cccc4)c34)OC,0.0
3971,CO-ADD:0331065,18.42,n(c(NCCN(CC1)CCO1)nc(n2)Cl)c2NCc(cc3)ccc3Cl,0.0
3972,CO-ADD:0331927,18.42,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N3CCc(cccc4)c34,0.0
3973,CO-ADD:0331896,18.42,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3c(OC)ccc(Cl)c3,0.0
3974,CO-ADD:0253647,18.41,C1(C#N)=C(N)SC(=C2C1c3ccc(C)o3)CCCC2=O,0.0
3975,CO-ADD:0253192,18.41,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCN3CC)C1=O,0.0
3976,CO-ADD:0256770,18.41,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(Br)cc(Br)c5O,0.0
3977,CO-ADD:0257022,18.41,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
3978,CO-ADD:0255874,18.41,c1(Nc2ccccc2)nc(CSc3ccccn3)nc(N)n1,0.0
3979,CO-ADD:0253454,18.41,S(=O)(=O)(N1CCCCCC1)c2c(C)ccc(c2)C(=O)Nc3cccc(O)c3,0.0
3980,CO-ADD:0255378,18.4,[N+](=O)([O-])c(cccc1C(=O)Nc(c2)c(ccc2C(F)(F)F)Oc(cc3)ccc3Cl)c1,0.0
3981,CO-ADD:0253271,18.4,c1(sc(c(ccc2[N+](=O)[O-])n1)c2)N(CC3C)CC(O3)C,0.0
3982,CO-ADD:0257139,18.4,c12c(nnc(SC(CC)C(=O)Nc3cccc(cccc4)c34)n1)c5c(cccc5)n2C,0.0
3983,CO-ADD:0253224,18.4,c12c(nnc(SC(CC)C(=O)Nc(cc3)ccc3S(N)(=O)=O)n1)c4c(cccc4)n2CC,0.0
3984,CO-ADD:0332408,18.4,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2F)NC3=C1C(=O)N(C)C(N3C)=O,0.0
3985,CO-ADD:0331977,18.39,C(/C(NCCc1ccccc1F)=O)(\NC(=O)c2ccc(c(C)c2)C)=C\c3ccco3,0.0
3986,CO-ADD:0236946,18.39,O=C1C2=CC(OC)=CC=C2CC/C1=CC3=CC=CN=C3Cl.Cl,0.0
3987,CO-ADD:0236950,18.39,O=C(C1=CC(OC)=CC=C1CC/2)C2=CC3=CC(Br)=CN=C3,0.0
3988,CO-ADD:0243616,18.39,c(C(=O)O)(c1[N+](=O)[O-])cc(OCO2)c2c1OC,0.0
3989,CO-ADD:0243406,18.39,COc(c(c(O1)cc2C(c(c([nH]3)N4)c(n3)C)C(=C4C5)C(O5)=O)OC1)c2,0.0
3990,CO-ADD:0243000,18.39,c1(OC)c(OC)c(CC(CC(=N2)CNCCc(ccc(c3OC)OC)c3)O2)cc(OCO4)c14.Cl,0.0
3991,CO-ADD:0243646,18.39,c(C)(cc1COC)nc2c1c(N)c(c(onc3c(cc4c5OCO4)cc5OC)n3)s2,0.0
3992,CO-ADD:0243086,18.39,c(C1C(C(=O)OCC)=C(N)OC(CC2(C)C)=C1C(=O)C2)(c3OC)c(CCC)c(OC)c(OCO4)c34,0.0
3993,CO-ADD:0242990,18.39,c(C(OC)=O)(cc(OC)c(c12)OCO1)c2Br,0.0
3994,CO-ADD:0243094,18.39,c(\C=N/NC(c(no1)cc1CO)=O)(c2OC)c(CC3CC(C(OCC)=O)=NO3)c(OC)c(OCO4)c24,0.0
3995,CO-ADD:0243921,18.39,CCOc1cc(CCNC(=O)CC(c(cc(OCO2)c23)cc3OC)C(C(=O)Oc(cccc4)c45)=C5O)ccc1OCC,0.0
3996,CO-ADD:0243126,18.38,c(c(CCC)c(OC)c1c2OCO1)(c2OC)\C=C(/C#N)\C(=O)OC(C)C,0.0
3997,CO-ADD:0243070,18.38,c1(OC)c(OC)c(C\C(\C)=N\NC(=O)c2cccs2)cc(OCO3)c13,0.0
3998,CO-ADD:0243068,18.38,c1(c(Br)c(OC)c(c2c1Br)OCO2)C(ON=C3C(=O)N\N=C\c(ccs4)c4)C3C,0.0
3999,CO-ADD:0243866,18.38,C1=C(C)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)Nc(cc4)cc(Cl)c4Cl)=C1O,0.0
4000,CO-ADD:0243626,18.38,c(OCO1)(c1c2OC)c(OC)c(C=C(C=O)C3)c2C3,0.0
4001,CO-ADD:0243930,18.37,C(C)(=C1)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)NCCc(cc4)ccc4F)=C1O,0.0
4002,CO-ADD:0243642,18.37,c(C)(cc1C)nc2c1c(n(ccc3)c3)c(C(=O)N\N=C\c(c(OC)c4c5OCO4)c(CC6CC(C(=O)OCC)=NO6)c5OC)s2,0.0
4003,CO-ADD:0243938,18.37,c(cccc1)(c12)OC(=O)C(C(c(c(OC)c3c4OCO3)cc4OC)CC(=O)NCCc5nc[nH]c5)=C2O,0.0
4004,CO-ADD:0243619,18.37,c(OC)(cc1C#CBr)c(OCO2)c2c1OC,0.0
4005,CO-ADD:0243931,18.37,C(C)(=C1)OC(=O)C(C(c(cc2c3OCO2)cc3OC)CC(=O)NCCc4nc[nH]c4)=C1O,0.0
4006,CO-ADD:0243643,18.37,c(C)(cc1C)nc2c1c(n(ccc3)c3)c(C(=O)N\N=C\c(c(OC)c4c5OCO4)c(CC6CC(c(c7)ccc(Cl)c7)=NO6)c5OC)s2,0.0
4007,CO-ADD:0243651,18.36,c(OCO1)(cc2c3onc(Cc(cc4)ccc4OC)n3)c1c(OC)c2OC,0.0
4008,CO-ADD:0243697,18.36,C(#N)CN1C(Sc(c2c3cc(OCO4)c4c(OC)c3)c1nc(c2c5)n(C(C)C)n5)=O,0.0
4009,CO-ADD:0243705,18.36,c1cc2c(cc1)OC(=O)C3=C2OC(C3c(cc(OCO4)c4c5OC)c5OC)C(OC)=O,0.0
4010,CO-ADD:0243513,18.36,C12=C(C(CC(=O)N1c3ccc(F)cc3)c(cc(c4c5OCO4)OC)c5)SC(=O)N2CC(OC)=O,0.0
4011,CO-ADD:0243545,18.36,s1c(C(c2c(OC)c(OC)c(OCO3)c3c2)CC(N4)=O)c4nc1NC,0.0
4012,CO-ADD:0243479,18.36,c(c1)c(OC)c(OCO2)c2c1OC,0.0
4013,CO-ADD:0243535,18.36,C12=C(C(CC(=O)N1c3cccc(OC)c3)c(cc(OC)c(c45)OCO4)c5OC)SC(=O)N2C,0.0
4014,CO-ADD:0243288,18.36,c(CC(C1)ON=C1C(N)=O)(c(OC)c2OC)c(Br)c(c23)OCO3,0.0
4015,CO-ADD:0243728,18.36,n(cc1)cn1CCCN(C(=O)C(O)=C2C(=O)c3cc(OCO4)c4cc3)C2c(cc5c6OCO5)c(OC)c6OC,0.0
4016,CO-ADD:0243768,18.36,N1(CCCC1)CCN2C(=O)C(O)=C(C2c3cc(OC)c4c(c3OC)OCO4)C(=O)c5cc6c(OCCO6)cc5,0.0
4017,CO-ADD:0243504,18.35,c1ncc(n(c(c2C3c(c(OC)c(OCO4)c45)cc5OC)NC(=O)C3)cn2)cc1,0.0
4018,CO-ADD:0243821,18.35,c(OC)(c1c2OCO1)cc(c(c3)c(c4ccccc4)on3)c2OC,0.0
4019,CO-ADD:0243541,18.35,c(c(CC(CC(O)=O)C(OC)=O)c1)c(OC2)c(O2)c1OC,0.0
4020,CO-ADD:0243294,18.35,C1(O2)=C(OC(CO)=CC1=O)C(C(C(OCC)=O)=C2N)c(cc(c3c4OCO3)OC)c4,0.0
4021,CO-ADD:0243302,18.35,c(C1c(c2c(cc3)cc(OC)c3)c([nH]n2)OC(N)=C1C#N)(c(OC)c(OCO4)c45)cc5OC,0.0
4022,CO-ADD:0243726,18.35,c(cc1CN(C(=O)C(O)=C2C(=O)c3cc(OCO4)c4cc3)C2c5c(OC)c(OC)c(OCO6)c6c5)(OC7)c(cc1)O7,0.0
4024,CO-ADD:0243510,18.35,C12=C(C(CC(=O)N1c3ccccc3)c(cc(c4c5OCO4)OC)c5)SC(=O)N2C,0.0
4025,CO-ADD:0243806,18.34,c1c(c(cc2)ccc2OC)n(c(cc(OC)c3c4OCO3)c4OC)nn1,0.0
4026,CO-ADD:0243526,18.34,C12=C(C(CC(=O)N1c3ccc(cc3)OC)c(cc(OC)c(c45)OCO4)c5OC)SC(=O)N2C,0.0
4027,CO-ADD:0243540,18.34,c(c(\C=C(/CC(O)=O)\C(OC)=O)c1)c(OC2)c(O2)c1OC,0.0
4028,CO-ADD:0243844,18.34,C1=C(C)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)Nc(cc4)ccc4F)=C1O,0.0
4029,CO-ADD:0243671,18.34,N1C(=O)CC(c2c(OC)c(OC)c(OCO3)c3c2)c(cnn4Cc(c5)occ5)c14,0.0
4030,CO-ADD:0243319,18.34,c(OC)(cc1\C=C\C(c(cc2)cc(O3)c2OCC3)=O)c(OC4)c(O4)c1,0.0
4031,CO-ADD:0243818,18.34,c(n[nH]1)c(c(cc(OC)c2c3OCO2)c3)c1c(ccc(OC)c4)c4,0.0
4032,CO-ADD:0243307,18.34,s(c(C(c1c(OC)c(OC)c(OCO2)c2c1)CC(N3)=O)c34)c(Nc5ccccc5)n4,0.0
4033,CO-ADD:0243469,18.33,COc(c(O)c1)ccc1c([nH]c2c3c(OC)c(OCO4)c4c(OC)c3)nn2,0.0
4034,CO-ADD:0243253,18.33,c(OC1)(c(OC)cc2C(=O)NC(CCC)CCC)c(O1)c2OC,0.0
4035,CO-ADD:0320684,18.33,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c3cccnc3Cl)c2C,0.0
4036,CO-ADD:0319791,18.33,c1(NC(=O)c2ccc(c(OC)c2)OCc3cccc(F)c3)sc(c(C)c1C(OCC)=O)C,0.0
4037,CO-ADD:0324148,18.33,S(=O)(=O)(Nc(ccc(c1Cl)C)c1)c2c(OC)ccc(OC)c2,0.0
4038,CO-ADD:0320628,18.33,C(=O)(c1ccco1)N(C)C(CC2(C)C)CC(N2)(C)C,0.0
4039,CO-ADD:0324377,18.33,C(=O)(CN(CC1)CCN1CCO)Nc(ccc(c2Br)C)c2.Cl.Cl,0.0
4040,CO-ADD:0320626,18.33,[N+](=O)([O-])c1c(OC)ccc(c1)C(NCCOc2ccccc2OC)=O,0.0
4041,CO-ADD:0323470,18.32,N1(CCCCCC(=O)Nc2ccccc2NC(=O)c(cccc3C(F)(F)F)c3)C(=O)c4c(cccc4)C1=O,0.0
4042,CO-ADD:0324104,18.32,c12c(c(c(C)s1)C)c(nc(SCC(=O)c3ccc(c(C)c3)OC)n2)O,0.0
4043,CO-ADD:0324545,18.32,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(NCCc(ccc(c3OCC)OCC)c3)=O)n2)Cc(cc4)ccc4C,0.0
4044,CO-ADD:0324905,18.32,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc4cc(C)ccc4OC)n2,0.0
4045,CO-ADD:0324105,18.32,O(c1c2cccc1)c(ccc(c3)C)c3CN2,0.0
4046,CO-ADD:0324129,18.32,S(=O)(=O)(NCc1ccccc1)c2cc(C)ccc2OC,0.0
4047,CO-ADD:0324402,18.32,S(=O)(=O)(NCc(cccn1)c1)c2cccc(nsn3)c23,0.0
4048,CO-ADD:0324403,18.32,C1(C(F)(F)F)=CC(=S)SC(N)=N1,0.0
4049,CO-ADD:0324851,18.32,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc3c(cc4)c(OC)cc4[N+](=O)[O-])o3)\C2=N,0.0
4050,CO-ADD:0324616,18.32,c1(NC(=O)C(C(F)(F)F)C(F)(F)F)c(c2ccccc2)c(nn1c3ccccc3)C,0.0
4051,CO-ADD:0323662,18.32,c1(noc(COc2c(Cl)cc(c(Cl)c2)Cl)n1)c3nonc3N,0.0
4052,CO-ADD:0321091,18.31,c1(c2NCCO)c(ccc2C(=O)N3CCCCC3)C(=O)c(c4C1=O)cccc4,0.0
4053,CO-ADD:0323909,18.31,C1(c2ccccc2)(CC1)NC(=O)NNC(=O)c(cc3)ccc3C(=O)c4c(C)cc(cc4C)C,0.0
4054,CO-ADD:0320088,18.31,c12c(CCNC1c(cc3)cc(c3OC(C)C(O)=O)OC)cc(c(OCC)c2)OCC,0.0
4055,CO-ADD:0320611,18.31,c1(C)cc(Cl)ccc1OCC(NCCOc(cc2)ccc2OC)=O,0.0
4056,CO-ADD:0324432,18.31,n1(c2ccc(c(Cl)c2)C)nnnc1SCCC#N,0.0
4057,CO-ADD:0323763,18.3,C1(N(CC2)CCN2c3ccc(cc3)F)=CC(OC14CCCCC4)=O,0.0
4058,CO-ADD:0319781,18.3,c1(NC(COc2cccc(Br)c2)=O)sc(c(C)c1C(OCC)=O)C,0.0
4059,CO-ADD:0319821,18.3,c1(NC(=O)c2ccccc2[N+](=O)[O-])sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
4060,CO-ADD:0319694,18.3,N(c1c(cccc1)NC(CC(c2ccc(cc2)OC)CC3=O)=C34)(C(C(C)C)=O)C4c5cccc(OC)c5,0.0
4061,CO-ADD:0319798,18.3,c([N+](=O)[O-])(nn(c1C(=O)Nc2sc(c3c2C(OCC)=O)CC(CC3)C)Cc4ccccc4)c1,0.0
4062,CO-ADD:0320670,18.3,c(C(NCCc(c1c([nH]2)cccc1)c2C)=O)(c(Cl)cn3)n3C,0.0
4063,CO-ADD:0323399,18.3,N1(C(=O)Cn(nnc2c3ccccc3C)n2)c4c(C(CN(C)CC5)C15)cc(C)cc4,0.0
4064,CO-ADD:0323728,18.3,n1c(SCc(cccc2Oc3ccccc3)c2)nnc(C)c1O,0.0
4065,CO-ADD:0324845,18.3,N1(N=C(S2)CCCCCCC)C2=NC(=O)\C(=C/c(ccc(c3OC)OC)c3)\C1=N,0.0
4066,CO-ADD:0215571,18.29,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(cccc3)c23)\C=N\NC(=O)c4cccc(O)c4,0.0
4067,CO-ADD:0215391,18.29,c1(C#N)c(c2cccs2)c3c(nc1SCc(cc4)ccc4F)CCCC3,0.0
4068,CO-ADD:0215495,18.29,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c(cc2)ccc2Br,0.0
4069,CO-ADD:0215522,18.29,C(=O)(N\N=C\c(cc1)ccc1C(O)=O)C(=O)Nc(ccc(c2Cl)Cl)c2,0.0
4070,CO-ADD:0215442,18.29,C(Oc(cccc1C(=O)Nc(cc2)ccc2Cl)c1)(=S)Nc(cc3)ccc3I,0.0
4071,CO-ADD:0214914,18.29,C(=O)(N1CCC(CC1)C)C(=O)N\N=C\c2ccc(cc2OC)OC,0.0
4072,CO-ADD:0215535,18.29,S(=O)(=O)(c1ccc(cc1)C)Oc2cc(ccc2\C=N\NC(=O)c3ccccc3[N+](=O)[O-])OS(=O)(=O)c4ccc(cc4)C,0.0
4073,CO-ADD:0215439,18.29,C(=S)(Oc(cc1)ccc1C(=O)Nc2cccc(cccc3)c23)N(C(C)C)C(C)C,0.0
4074,CO-ADD:0215447,18.29,S(c1ccccc1)(=O)(=O)N(c2ccc(c(C)c2)C)CC(=O)N\N=C\c(cccc3C(F)(F)F)c3,0.0
4075,CO-ADD:0214941,18.29,n1c(c2ccc(cc2)Br)csc1N\N=C\c(ccc(c3OC)O)c3,0.0
4076,CO-ADD:0215374,18.29,C(C(=O)OC(C)C)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3cccc(c3)OCc4ccccc4,0.0
4077,CO-ADD:0215414,18.29,C(\C(\CCC1)=C\c(cc2)ccc2OC)(O3)=C1C(C(C#N)=C3N)c4ccc(cc4)OC,0.0
4078,CO-ADD:0215088,18.28,C(=O)(N\N=C\c1ccccc1Cl)C(C)(C)Oc(cc2)ccc2CC,0.0
4079,CO-ADD:0215120,18.28,n1(c2c(n3)cccc2)c3c(c(C)c(\C=N\c4ccc(cc4[N+](=O)[O-])C)c1O)C#N,0.0
4080,CO-ADD:0215832,18.28,C(N(C)C)(=S)Oc(cc1)ccc1C(=O)Nc(ccc(c23)cccc2)c3,0.0
4081,CO-ADD:0215673,18.28,[N+](=O)([O-])c1cc(ccc1OC)\C=N\OC(=O)c2ccccc2F,0.0
4082,CO-ADD:0215345,18.28,c1(C#N)c(c2ccc(cc2)Cl)c3c(nc1SCC(=O)CC(OCC)=O)CCCC3,0.0
4083,CO-ADD:0215737,18.28,C(=O)(c(cc1)ccc1C(C)(C)C)NCc(cccn2)c2,0.0
4084,CO-ADD:0166517,18.27,N1(CNc2ccccc2Br)C(=O)\C(\SC1=O)=C/c(cc3)ccc3C(OC)=O,0.0
4085,CO-ADD:0165907,18.27,[N+](=O)([O-])c1cccc(c1)NC(=O)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O,0.0
4086,CO-ADD:0166058,18.27,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(cc2)ccc2\C=N\NC(COc(ccc(c3C)C)c3)=O,0.0
4087,CO-ADD:0166734,18.27,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3cc(Br)ccc3OC,0.0
4088,CO-ADD:0165965,18.27,C(=O)(NC(C)CC)C\C(\C)=N\NC(COc(cc(C)c(c1)Br)c1Br)=O,0.0
4089,CO-ADD:0166465,18.27,N1(CNc(ccc(c2C)C)c2)C(=O)C(SC1=S)CC,0.0
4090,CO-ADD:0166751,18.27,N1(NC(=O)c(cccc2[N+](=O)[O-])c2)C(=O)c3c(c(c4)C1=O)c(ccc3)c(c4[N+](=O)[O-])Br,0.0
4091,CO-ADD:0165992,18.26,c1(c2c(cccc2)ccc1OC(=O)c3cccc(cccc4)c34)\C=N\c(cc5)ccc5NC(C)=O,0.0
4092,CO-ADD:0166519,18.26,N1(CNc2ccccc2OC)C(=O)\C(\SC1=O)=C/c(cc3)ccc3C(OC)=O,0.0
4093,CO-ADD:0166109,18.26,c1(\C=N\NC(CNC(=O)c2cccc(F)c2)=O)cc(Br)cc(C)c1O,0.0
4094,CO-ADD:0166695,18.26,c1(C#N)c(c2cccs2)cc(nc1SCc(cc3)ccc3C(C)(C)C)c4cccs4,0.0
4095,CO-ADD:0166271,18.26,C(c1ccccc1)(=O)N(C)CC(=O)N\N=C/c(ccc(c2OC)O)c2,0.0
4096,CO-ADD:0166158,18.26,c1(\C=N\NC(COc2c(C)cccc2C)=O)c(OCC)ccc(cccc3)c13,0.0
4097,CO-ADD:0166654,18.26,C1(C2c3ccc(cc3)OCc4ccccc4)=C(c5c(cccc5)OC1=O)OC(N)=C2C#N,0.0
4098,CO-ADD:0166375,18.26,C(=O)(N\N=C\c(cc1)ccc1O)c2ccc(cc2)COc(cc3)ccc3C,0.0
4099,CO-ADD:0166317,18.25,S1(=O)(=O)c(cccc2)c2C(Oc(cc3)ccc3CC)=N1,0.0
4100,CO-ADD:0320308,18.25,S(=O)(=O)(N1CCCCC1)c2ccc(c(NC(=O)C3CCCCN3CCCC)c2C)C,0.0
4101,CO-ADD:0165908,18.25,c1(ccccc1NC(=O)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O)C(OC)=O,0.0
4102,CO-ADD:0324258,18.24,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCC3CCCO3,0.0
4103,CO-ADD:0324187,18.24,[N+](=O)([O-])c1c(C)ccc2c1ccc(n2)c(c3)cc4c(ccc(C)c4)n3,0.0
4104,CO-ADD:0324172,18.24,N1(c2ccc(cc2)Cl)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
4105,CO-ADD:0215448,18.24,C(=N\Nc1ccc(cc1[N+](=O)[O-])OC)(/C(=O)NC(N2)=O)\C2=O,0.0
4106,CO-ADD:0166518,18.24,C(=O)(Nc(cc1)ccc1CCCC)C(NCCCCc2ccccc2)=O,0.0
4107,CO-ADD:0319314,18.24,c1(C=O)c[nH]nc1c2ccccc2,0.0
4108,CO-ADD:0215409,18.24,C1(C#N)(C#N)C(N)=C(C#N)C(C2C13c4c(NC3=O)cccc4)=CCCC2,0.0
4109,CO-ADD:0215137,18.24,C(=C\Nc1cccc2c1cccc2N)(/C(=O)NC(N3)=O)\C3=O,0.0
4110,CO-ADD:0215809,18.24,C(=O)(NC(C)CC)C\C(\C)=N\NC(COc(cc1)ccc1OC)=O,0.0
4111,CO-ADD:0215500,18.23,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/C)\c(ccc(c2[N+](=O)[O-])OC)c2)[N+](=O)[O-],0.0
4112,CO-ADD:0215153,18.23,C(C(=O)N\N=C\c(cc1)cc(c12)ccc(OC)c2)C(=O)N\N=C\c(cc3)cc(c34)ccc(OC)c4,0.0
4113,CO-ADD:0215802,18.23,c1(cc(ccc1O)Cc(ccc(c2\C=N\c3cccc(C)c3C)O)c2)\C=N\c4cccc(C)c4C,0.0
4114,CO-ADD:0215154,18.22,N#Cc(cc1)ccc1\C=N\NC(CCCCCCC)=O,0.0
4115,CO-ADD:0324252,18.22,N1(CCOC(CC(CC2C3)CC34)(C4)C2)C(C)(O)C(OC1=O)(C)CC,0.0
4116,CO-ADD:0324157,18.22,c12c(n(c(Oc(cc3)ccc3Cc(c4C)sc(n4)N)n1)C)C(N(C)C(=O)N2C)=O,0.0
4117,CO-ADD:0324229,18.22,N1(c2sccn2)C(=O)\C(\SC1=N)=C/c(ccc3c4cc(Cl)c(cc4Cl)Cl)o3,0.0
4118,CO-ADD:0215572,18.22,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(Br)c1)C(NCCO)=O,0.0
4119,CO-ADD:0166638,18.22,C(C(=O)N(CC1)CCO1)(C2c3ccccc3)C(C2C(=O)N\N=C\c(ccc(c4OC)OC)c4)c5ccccc5,0.0
4120,CO-ADD:0166208,18.21,c1(c(C)cccc1C)OCC(=O)N\N=C\c2ccc(cc2OC)OC,0.0
4121,CO-ADD:0166026,18.21,C(=S)(Oc(cccc1C(=O)Nc(cc2)ccc2C)c1)N3CCCCC3,0.0
4122,CO-ADD:0166541,18.21,N1(\N=C\c2ccccc2[N+](=O)[O-])C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
4123,CO-ADD:0165906,18.21,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C/c2ccccc2OCc3ccccc3,0.0
4124,CO-ADD:0166159,18.21,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c4ccccc4OC(=O)c5ccco5,0.0
4125,CO-ADD:0323086,18.21,N1(C(C)=O)C(C)(C)CC(CC1(C)C)N(C(C)=O)Cc2ccccc2OC,0.0
4126,CO-ADD:0324314,18.21,c1(cc(c2s1)cccc2)C3NCCc(cc(c(OCC)c4)OCC)c34.Cl,0.0
4127,CO-ADD:0215469,18.21,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccn1)C(NCCO)=O,0.0
4128,CO-ADD:0320901,18.21,C(=O)(c1cccc(F)c1)NCC(O)=O,0.0
4129,CO-ADD:0323824,18.21,c1(N(CC2)CCN2C34CC5CC(CC(C5)C3)C4)nc(NCCCC)nc(OCC(F)(F)F)n1,0.0
4130,CO-ADD:0166552,18.21,C(=O)(c1ccc(cc1)OCCCC)NCc2ccccc2F,0.0
4131,CO-ADD:0321407,18.2,S(=O)(=O)(Cc1ccccc1)c2cc(ccc2C#N)Oc3ccccc3,0.0
4132,CO-ADD:0215517,18.2,C(N(C)C)(=S)Oc(cc1)ccc1C(=O)Nc(cc2)ccc2F,0.0
4133,CO-ADD:0215525,18.2,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\NC(=O)c3ccccc3O,0.0
4134,CO-ADD:0215429,18.2,C(=O)(N\N=C(/C)\CC(=O)Nc1cc(C)ccc1OC)C(=O)Nc(cc2)ccc2OC,0.0
4135,CO-ADD:0323034,18.2,c12c(ccc(C(N3c4ccc(cc4)C)=O)c1S3)C(=O)c(c5C2=O)cccc5,0.0
4136,CO-ADD:0320919,18.2,S(C)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NCc(cccn3)c3,0.0
4137,CO-ADD:0215276,18.2,N1(Cc2ccccc2)C(=O)C3C(C(c4ccccc4)C=CC3c5ccccc5)C1=O,0.0
4138,CO-ADD:0165836,18.2,c12c(cccc1)c(OC)cc(C(c3c(N)non3)=NC(C)(C)C4)c24,0.0
4139,CO-ADD:0165877,18.2,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)NCC(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
4140,CO-ADD:0166671,18.2,c1(C#N)c(C)c(C)c(nc1SCC(=O)Nc(cccc2C(F)(F)F)c2)C,0.0
4141,CO-ADD:0166663,18.2,C(C#N)(C1c2ccc(cc2)OCc3ccccc3)=C(N)SC(N)=C1C#N,0.0
4142,CO-ADD:0165994,18.19,N(c1ccc(cc1)OC)(Cc(c2c3)ccc3C(=O)N\N=C\c4ccccc4Cl)C2,0.0
4143,CO-ADD:0166557,18.19,C(=O)(N\N=C\c1ccc(cc1OCC)OCC)c2ccc(cc2)OCc(cc3)ccc3C,0.0
4144,CO-ADD:0320781,18.19,n1c(CCNC(=O)c(cc2)ccc2C(=O)c3c(C)cc(cc3C)C)scc1c4ccccc4,0.0
4145,CO-ADD:0320885,18.19,N1(c2ccccc2)C(=O)c3c(N=C1SNCCc4ccccc4)cccc3,0.0
4146,CO-ADD:0320735,18.19,N1(c2cccc(Cl)c2)C(c3ccc(c4c3)OCO4)C(C1=O)Oc5ccccc5,0.0
4147,CO-ADD:0215811,18.18,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1C)C(NCCO)=O,0.0
4148,CO-ADD:0215819,18.18,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1C(C)C)C(NCCO)=O,0.0
4149,CO-ADD:0215163,18.18,N1(c2ccccc2Cl)C(c3ccc(cc3)Br)CC(c4ccc(cc4)F)=N1,0.0
4150,CO-ADD:0324559,18.18,n1(CC2)c(C(=N2)CCC3)c3c(cc(C)cc4)c14.Cl,0.0
4151,CO-ADD:0320509,18.17,C(=N/c(cc1)ccc1F)(/SC(C(=O)Nc(cc2)ccc2OC(F)(F)Cl)CC3=O)\N3CCc(cc4)ccc4OC,0.0
4152,CO-ADD:0166342,18.17,[N+](=O)([O-])c1c(O)ccc(CCCC2)c12,0.0
4153,CO-ADD:0166266,18.17,C(=O)(NCc1ccccc1OC)c2cccs2,0.0
4154,CO-ADD:0166377,18.17,C(CSCc1ccccc1Cl)(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3C,0.0
4155,CO-ADD:0324578,18.17,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3OC)\NC(=O)c4ccc(cc4)OCCCC)c1C,0.0
4156,CO-ADD:0320622,18.17,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(C)c2ccccc2,0.0
4157,CO-ADD:0319671,18.17,C1(=C(CC(c2ccc(cc2)C)CC1=O)Nc(c3N4C(CCCCC)=O)cccc3)C4c5cccc(F)c5,0.0
4158,CO-ADD:0323017,18.17,c(C(OCC)=O)(c1Cl)nc(c(Cl)c1Nc(cc2)ccc2F)Cl,0.0
4159,CO-ADD:0324249,18.17,N1(CCOC(CC(CC2C3)CC34)(C4)C2)C(C)(O)C5(OC1=O)CCCCC5,0.0
4160,CO-ADD:0324623,18.17,N(Cc1ccccc1)(C(=O)C(C23)C(c4cc(Br)ccc4O)NC2(C)C(O)=O)C3=O,0.0
4161,CO-ADD:0319687,18.17,N(c1c(cccc1)NC(CC(c2ccc(cc2)OC)CC3=O)=C34)(C(=O)c(cc5OC)cc(c5OC)OC)C4c6ccccc6Cl,0.0
4162,CO-ADD:0319760,18.16,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1cccc(Cl)c1)Nc2sc3c(CCC(C(C)(C)C)C3)c2C#N,0.0
4163,CO-ADD:0320107,18.16,C(OC)(F)(C(F)(F)F)C(=O)Sc(cc1C(C)(C)C)cc(c1O)C(C)(C)C,0.0
4164,CO-ADD:0252726,18.16,[N+](=O)([O-])c1ccc(cc1)C\C(\c2ccc(cc2)OC)=N\OC(C)=O,0.0
4165,CO-ADD:0252683,18.16,[N+](=O)([O-])c(cc(cc1C(=O)NNC(=O)c(cc2)ccc2[N+](=O)[O-])[N+](=O)[O-])c1C,0.0
4166,CO-ADD:0247575,18.16,s1c(c2ccc(cc2)OC)nnc1NC(CCCCCC)=O,0.0
4167,CO-ADD:0254510,18.15,N1(c(cc2)ccc2C(=O)N(CC3)CCN3C(OCC)=O)C(=O)CCC1=O,0.0
4168,CO-ADD:0248207,18.15,C1(c2ccccc2C)(c3ccccc3C)CC1C(=O)Nc(cccc4C(F)(F)F)c4,0.0
4169,CO-ADD:0247422,18.15,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(c5)c(N(CC6)CCN6C)cc(N(CC7)CCN7C)c5[N+](=O)[O-],0.0
4170,CO-ADD:0252225,18.15,c1(Nc(cc2)ccc2OC)nc(N\N=C/c(cc3OC)cc(c3OCc4ccccc4)Br)nc(NCc5ccco5)n1,0.0
4171,CO-ADD:0254898,18.14,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)cc(c5Oc6ccc(cc6[N+](=O)[O-])C(F)(F)F)OC,0.0
4172,CO-ADD:0247556,18.14,C12=C(CC(c3ccccc3)CC1=O)NC(C)=C(C#N)C2c(cccc4[N+](=O)[O-])c4,0.0
4173,CO-ADD:0252205,18.14,C(=O)(N\N=C/c(ccc(c1OCC)O)c1)c2ccc(cc2)Br,0.0
4174,CO-ADD:0252197,18.14,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
4175,CO-ADD:0247838,18.14,C1(CC2CC(C1)CC3(C2)C(=O)Nc(cc(Oc4cccc(N(CC)CC)c4)cc5[N+](=O)[O-])c5)(C3)n(c6)nc(n6)Cl,0.0
4176,CO-ADD:0247823,18.14,C(c(cccc1C)c12)(\C(\SS3)=N\c4cccc(Cl)c4C)=C3C(N2)(C)C,0.0
4177,CO-ADD:0252988,18.13,c(c(C)sc1c2c3c(CCCCC3)nc(N)c2C#N)([N+](=O)[O-])c1,0.0
4178,CO-ADD:0249633,18.13,c1(c2ccc(cc2)NC(=O)\C=C\c3ccccc3)nc(c4ccc(cc4)NC(=O)\C=C\c5ccccc5)cc(c6ccc(cc6)NC(=O)\C=C\c7ccccc7)n1,0.0
4179,CO-ADD:0249399,18.13,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)cc(c3OC(=O)c4cc(F)c(cc4Cl)F)OC)nc(Nc(ccc(c5Cl)C)c5)n1,0.0
4180,CO-ADD:0255048,18.13,n1c2c(oc1c3ccc(cc3)NC(CSc4sc(c5n4)cccc5)=O)ccc(c2)NC(CSc6sc(c7n6)cccc7)=O,0.0
4181,CO-ADD:0249162,18.13,N1(c2ccc(cc2[N+](=O)[O-])OC)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
4182,CO-ADD:0249645,18.13,c(C#N)(c(N)n(n1)CCO[H])c1\C(\C#N)=C\c(cc2OC)cc(c2OCc(cc3)ccc3Cl)I,0.0
4183,CO-ADD:0252524,18.13,S(C)(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
4184,CO-ADD:0255096,18.12,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(O)C(N2c4ccc(cc4)O)=O,0.0
4185,CO-ADD:0248966,18.12,n1(nnc(C(=O)N\N=C\c2cccc(Cl)c2)c1CN3CCCCCC3)c4nonc4N,0.0
4186,CO-ADD:0255126,18.12,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)NCc4ccco4,0.0
4187,CO-ADD:0248961,18.12,N1(c2cccc(Br)c2)C(=O)C(CC1=O)NCc(ccc(c34)OCO3)c4,0.0
4188,CO-ADD:0254437,18.12,c1(\C=N\NC(c2ccccc2)=O)c(OCC=C)ccc(cccc3)c13,0.0
4189,CO-ADD:0248976,18.12,C(/C(OCC)=O)(\SP(OCC)(OCC)=S)=C(\C)/Nc1ccccc1N,0.0
4190,CO-ADD:0249051,18.12,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OCC)c4)OCc5ccc(cc5Cl)Cl,0.0
4191,CO-ADD:0247485,18.11,[nH](c(ccc(c1)C(OCC)=O)c1c2C)c2C,0.0
4192,CO-ADD:0254503,18.11,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5OC)cc(c5OCC=C)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
4193,CO-ADD:0247726,18.11,[N+](=O)([O-])c1ccc(cc1)\C=N\c(cc2Cl)cc(c2N)Cl,0.0
4194,CO-ADD:0249363,18.11,c1(ccccc1OCc2ccccc2)C(=O)N\N=C\c(cccc3Oc4ccccc4)c3,0.0
4195,CO-ADD:0249103,18.11,n1(nnc(C(=O)N\N=C\C(C)c2ccccc2)c1CN3CCCCC3)c4nonc4N,0.0
4196,CO-ADD:0254374,18.11,c12c(nnc(N\N=C\C(\C)=C\c3ccco3)n1)c(c4[nH]2)cccc4C,0.0
4197,CO-ADD:0249040,18.11,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c(ccs4)c4,0.0
4198,CO-ADD:0252529,18.11,n1c(c2ccccc2)csc1Nc3c(OC)cc(c(OC)c3)Cl.Br,0.0
4199,CO-ADD:0252825,18.1,N1(c2ccc(cc2)CC)C(c3ccc(cc3)OCc4ccccc4)Nc(c5C1=O)cccc5,0.0
4200,CO-ADD:0249075,18.1,C1(=S)NC(NN1c2ccccc2)(CCC)CCC,0.0
4201,CO-ADD:0249117,18.1,S(=O)(=O)(N1CCCCC1)c2c(F)ccc(C(O)=O)c2,0.0
4202,CO-ADD:0254751,18.1,[N+](=O)([O-])c1ccccc1c2ccc(\C=N\n(cnn3)c3)o2,0.0
4203,CO-ADD:0255139,18.09,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(NCCSCc(cc3)ccc3C)=O,0.0
4204,CO-ADD:0247776,18.09,[N+](=O)([O-])c1cccc(c1)\C=N\c(ccc(c23)nccn2)c3,0.0
4205,CO-ADD:0249266,18.09,N1(c2ccccc2)C(=O)\C(\SC1=S)=C/c3cccc(c3)OCc4ccccc4,0.0
4206,CO-ADD:0318885,18.09,C(=O)(c1ccc(cc1)F)N(CC2)CCN2c3ccc(cc3F)C(CCC)=O,0.0
4207,CO-ADD:0320487,18.09,c12c(C(N(C)C(=O)N1C)=O)n(c(NN=C3C45CC6CC(CC(C6)C4)C5)n2)C3,0.0
4208,CO-ADD:0252501,18.09,n12c(ccc(N\N=C\c3ccccc3[N+](=O)[O-])n1)nnc2c4ccccc4,0.0
4209,CO-ADD:0254671,18.09,n1c(N)c(C#N)cc(C#N)c1SCC(=O)Nc(cccc2C(F)(F)F)c2,0.0
4210,CO-ADD:0254983,18.09,C(=S)(c(ccc(c1OC(=O)c2ccc(cc2)C)OC)c1)N3CCCCC3,0.0
4211,CO-ADD:0318965,18.09,c1(C(=O)N(C)C(N2C)=O)c2nc(n(c3c4cccs4)c5ccc(cc5)OC)n1c3,0.0
4212,CO-ADD:0254961,18.09,N12C(OC(C(C(CO)O3)O)C13)=NC(=O)C(C)=C2,0.0
4213,CO-ADD:0318981,18.09,N(C(C)(C)C(N1CC(O)COc2ccccc2C)=O)(CN(C(C)(C)C(N3CC(O)COc4ccccc4C)=O)C3=O)C1=O,0.0
4214,CO-ADD:0319958,18.09,n1c(C)ccc(cccc2SCC(=O)NC(C)(C)CC(C)(C)C)c12,0.0
4215,CO-ADD:0249785,18.08,C12(\C=N/c3ccc(cc3C)C)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OC)=O)c(cccc7)c27,0.0
4216,CO-ADD:0248983,18.08,N1(c2cccc(Cl)c2C)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4sccc4C,0.0
4217,CO-ADD:0254335,18.08,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N/NC(=O)c(ccc(c34)OCO3)c4)o2,0.0
4218,CO-ADD:0252826,18.08,n1(C)c(COc(cc2)ccc2C3CCCCC3)nnc1S,0.0
4219,CO-ADD:0319587,18.08,c1(c2ccco2)c3c(CCCC3)nc(ccc(cccc4)c45)c15,0.0
4220,CO-ADD:0319196,18.08,c1(NC(=O)c2ccccc2[N+](=O)[O-])sc(c(C)c1C(OCC)=O)C(C)=O,0.0
4221,CO-ADD:0319588,18.08,c1(c2ccc(cc2O)O)c3c(ccc(cccc4)c34)nc(CCC(C)C5)c15,0.0
4222,CO-ADD:0249687,18.07,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C\c(cc2)ccc2Cl)c3ccccc3[N+](=O)[O-],0.0
4223,CO-ADD:0254701,18.07,N(C(=O)CS1)(C2c3ccc(c4c3)OCO4)C1=NC(C)=C2C(OCC)=O,0.0
4224,CO-ADD:0249689,18.07,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C(/C)\c2ccc(cc2)Cl)c3ccccc3[N+](=O)[O-],0.0
4225,CO-ADD:0254570,18.07,c(\C=N\NC(COc1ccc(cc1OC)CC=C)=O)(cc(Br)cc2Br)c2O,0.0
4226,CO-ADD:0247792,18.07,P(=O)(Nc1ccccc1)(Nc2ccccc2)\C=C(/Cl)\Oc3ccccc3,0.0
4227,CO-ADD:0248188,18.07,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)\N=C\c(cc4)ccc4F)n1,0.0
4228,CO-ADD:0319366,18.07,c1(cnc(C)n1CC(=O)N\N=C/c2ccccc2OCCC)[N+](=O)[O-],0.0
4229,CO-ADD:0254764,18.07,[N+](=O)([O-])c1ccc(cc1\C=N\NC(=O)\C(=C\c2ccccc2)\NC(c3ccccc3)=O)O,0.0
4230,CO-ADD:0249341,18.07,c(c1c(s2)CCC1)(C3=O)c2N=C(SCc(cc4)ccc4c5ccccc5)N3c6ccccc6,0.0
4231,CO-ADD:0249255,18.06,[N+](=O)([O-])c1cccc(C(=O)COC(=O)c2ccc(cc2)C)c1,0.0
4232,CO-ADD:0319055,18.06,C1(c2ccccc2)(OC(CCl)=O)CCN(C(C)C1C)C,0.0
4233,CO-ADD:0252479,18.06,C1(C(=O)Nc(cccc2[N+](=O)[O-])c2)=Cc(cc(Br)cc3Br)c3OC1=O,0.0
4234,CO-ADD:0319437,18.06,C(NCCOc(cc1)ccc1OC)(=O)\C=C\c2ccccc2,0.0
4235,CO-ADD:0319157,18.06,n12c(cccc1Cl)nnc2c(cc3)ccc3C(F)(F)F,0.0
4236,CO-ADD:0254747,18.06,[N+](=O)([O-])c(cc1)cc(c1c2ccc(\C=N\N(c3ccccc3)c4ccccc4)o2)OC,0.0
4237,CO-ADD:0319470,18.05,c(c1c(s2)CCC1)(C3=O)c2N=C(SCC(=O)Nc(ccc(c4[N+](=O)[O-])F)c4)N3c5ccccc5,0.0
4238,CO-ADD:0249681,18.05,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(=O)OCC(c3ccccc3)=O,0.0
4239,CO-ADD:0254530,18.05,C(C(OC)=O)(C(c1ccccc1)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
4240,CO-ADD:0249397,18.05,c(C#N)(c(\C(\C#N)=C\c(ccc(c1[N+](=O)[O-])OC)c1)nn2c3ccccc3)c2N,0.0
4241,CO-ADD:0254673,18.05,n1(Cc2ccccc2)c(cccc3)c3c(SC)c1CC(O)=O,0.0
4242,CO-ADD:0254622,18.05,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc(c5OC)OCc6cccc(cccc7)c67)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
4243,CO-ADD:0254742,18.04,c(C(=O)N1CCCCC1)(s2)c(C)c(c2NC(Cc3ccccc3)=O)C(OCC)=O,0.0
4244,CO-ADD:0321556,18.04,n(c(SCC(N)=O)nn1)(C(c2c(cccc2)CC34CCCCC3)=C4C(N5c6cccc(C)c6)=O)c15,0.0
4245,CO-ADD:0324825,18.04,S(=O)(=O)(c1ccc(c(OC)c1)Cl)Nc2ccccc2OCC,0.0
4246,CO-ADD:0319294,18.04,c1(SCC(=O)Nc(cc2)ccc2Br)sc(c3n1)cccc3,0.0
4247,CO-ADD:0254300,18.04,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
4248,CO-ADD:0249074,18.04,N(C(=O)\C(\S1)=C/c2cccc(Br)c2)=C1N3CCCC3,0.0
4249,CO-ADD:0249028,18.04,c1(Br)ccc(\C=N\c(cc2)ccc2Oc(cc3)ccc3Cl)o1,0.0
4250,CO-ADD:0248869,18.03,C(F)(F)(F)c(ccc(n1)N\N=C(/C)\c2ccc(cc2)OCC)c1,0.0
4251,CO-ADD:0319478,18.03,C(CCc(cc1)ccc1OC)(NCCOc(cc2)ccc2Cl)=O,0.0
4252,CO-ADD:0252547,18.03,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc(OC)c(c4)OC)c4Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
4253,CO-ADD:0252560,18.03,C1(=O)N(c2ccccc2)Sc(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c13,0.0
4254,CO-ADD:0249668,18.03,C(=N/c1ccccc1)(/SC(C2=O)CC(=O)Nc(cc3)ccc3C(O)=O)\N2CCOC,0.0
4255,CO-ADD:0249106,18.03,C(C#N)(C1c2ccc(cc2)F)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
4256,CO-ADD:0247719,18.03,c1(c([O-])cc(c(O)c1)SC(=O)N(CC)CC)[N+](=O)[O-].[N+]([H])([H])(CC)CC,0.0
4257,CO-ADD:0249760,18.03,n1(nnc(C(=O)N\N=C(/C)\c(cccn2)c2)c1c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
4258,CO-ADD:0249009,18.03,c(C(=O)OC(C)(C)C)(c1C)c(c2ccccc2)c(n1C(Cl)(C(OCC)=O)C(OCC)=O)C,0.0
4259,CO-ADD:0323792,18.02,N(CC1)(CCN1CC(=O)Nc(cc2)ccc2OC(F)(F)Cl)c3ccc(cc3)Cl,0.0
4260,CO-ADD:0249465,18.02,c1(cc2c(cc1[N+](=O)[O-])nc(c(Cl)n2)Cl)[N+](=O)[O-],0.0
4261,CO-ADD:0254727,18.02,n1c(O)ncc(Cc(cc2)ccc2OCC)c1O,0.0
4262,CO-ADD:0249426,18.02,C1(C(=O)Nc(cc2)ccc2[N+](=O)[O-])C3C1C4CC3CC4,0.0
4263,CO-ADD:0249049,18.02,C(C)(C)(C(C)=O)NCC(c1ccccc1)=O.Cl,0.0
4264,CO-ADD:0323797,18.02,c(CN(c1ccc(cc1)F)C(=O)c(cc2)ccc2C(C)(C)C)(c(C)[nH]c3C(OCC)=O)c3C,0.0
4265,CO-ADD:0247424,18.02,C(/SCC1=O)(=N/c2ccccn2)\N1c3ccccc3,0.0
4266,CO-ADD:0252842,18.02,N1(\N=C\c(ccs2)c2)C(C)=Nc(c3C1=O)cccc3,0.0
4267,CO-ADD:0254615,18.02,N1(C2c3ccccc3)C(S\C(=C/c4c(OCC)ccc(cccc5)c45)\C1=O)=NC(C)=C2C(OCC)=O,0.0
4268,CO-ADD:0254815,18.01,C(C(OCC)=O)(C1c(ccs2)c2)=C(CC(OCC)=O)OC(N)=C1C#N,0.0
4269,CO-ADD:0249367,18.01,N1(c(cc2)ccc2C(=O)NNC(=O)c(cc3)ccc3[N+](=O)[O-])C(=O)c(c4C1=O)ccc(c4)C(=O)NNC(=O)c(cc5)ccc5[N+](=O)[O-],0.0
4270,CO-ADD:0247477,18.01,N(C(CCC(=O)N\N=C\c(cc1)ccc1OC)=O)c2ccc(cc2C)C,0.0
4271,CO-ADD:0247686,18.01,C(=O)(c1ccc(cc1)OC(C)CCCCCC)NNC(=O)c2ccc(cc2)OC(C)CCCCCC,0.0
4272,CO-ADD:0248918,18.01,C(=O)(Nc(ccc(c1C)I)c1)c2ccccc2Cl,0.0
4273,CO-ADD:0319982,18.01,S(c1ccccc1)(=O)(=O)Nc(c(Cl)c2)cc(c2C(OC)=O)OC,0.0
4274,CO-ADD:0252973,18.01,N12C(C=CC(Cl)=C1)=[NH+][B-](N(c3ccccc3)C2=O)(CCCC)CCCC,0.0
4275,CO-ADD:0249275,18.01,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)\N=C\c4cc(I)ccc4O)n1,0.0
4276,CO-ADD:0249244,18.01,N1(c2ccc(cc2)Cl)C(=O)C3C(C4C=CC3CC4)C1=O,0.0
4277,CO-ADD:0319998,18.01,S(NCCCC)(=O)(=O)c1ccc(c2c1cccn2)OC,0.0
4278,CO-ADD:0254999,18.0,N(CN(CC1)CCC1C(N)=O)(N=C(N2c3ccccc3)c4ccc(cc4)OC)C2=S,0.0
4279,CO-ADD:0324273,18.0,c1(N(CC2)CCN2c3cccc(Cl)c3)nc(Nc(cc4)ccc4OC(Cl)(F)F)nc(N(C)C)n1,0.0
4280,CO-ADD:0254973,18.0,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c(ccc(c3OCC)OC)c3)c4nonc4N,0.0
4281,CO-ADD:0254794,18.0,N1(c2ccccc2F)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Cl,0.0
4282,CO-ADD:0252531,18.0,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c4cc(I)cc(I)c4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
4283,CO-ADD:0324154,18.0,c1(c(c2)scn2)nc(c3n1Cc(nc(N)nc4N(CC5)CCO5)n4)cccc3,0.0
4284,CO-ADD:0255187,18.0,N1C(=O)NC=C(CSCC(OCC(=O)Nc2ccccn2)=O)C1=O,0.0
4285,CO-ADD:0254736,18.0,c1(NC(=O)c2ccc(cc2)Cl)sc(c(C)c1C(OCC)=O)C(=O)Nc3cccc(Cl)c3,0.0
4286,CO-ADD:0254805,18.0,c1(nnc(CCCCC)s1)NC(=O)c2ccc(cc2)Cl,0.0
4287,CO-ADD:0252530,18.0,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc(c4OC)OCc5ccccc5)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
4288,CO-ADD:0252629,18.0,C12(c(cccc3)c3C(c4ccccc4)(c5ccccc5)S1)N(c6ccccc6)N=C(c7ccccc7)S2,0.0
4289,CO-ADD:0252803,17.99,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
4290,CO-ADD:0248911,17.99,C(O)(c(cc1)ccc1N(C)C(=O)c2ccco2)(C(OC)=O)C(F)(F)F,0.0
4291,CO-ADD:0254462,17.99,[N+](=O)([O-])c1ccc(cc1)NC(=O)C\C(\C)=N\NC(=O)c2ccc(cc2)OC,0.0
4292,CO-ADD:0247680,17.99,c1(SCC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)oc(c3n1)cccc3,0.0
4293,CO-ADD:0249709,17.99,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2Cl)Cl)CC(=O)N3CCC(CC3)C,0.0
4294,CO-ADD:0247732,17.98,c12c(cccn1)cccc2NN.Cl.Cl,0.0
4295,CO-ADD:0252977,17.98,c12n(ncn1N)c(nn2)SCC(=O)Nc3nnc(SCC(=O)Nc(cc4)ccc4S(N)(=O)=O)s3,0.0
4296,CO-ADD:0248046,17.98,C1(=Cc2c(OC1=O)ccc(OC)c2)c3csc(Nc(cc4)ccc4Br)n3,0.0
4297,CO-ADD:0323788,17.98,n1c(N)n[nH]c1CC(=O)N(C)C2(CCCCC2)C(=O)Nc3ccccc3C,0.0
4298,CO-ADD:0323159,17.98,n1(c2ccc(cc2)F)nc(c(CNN(CC3)CCO3)c1O)CCC,0.0
4299,CO-ADD:0254769,17.98,c1(C(O)=O)cc2c(ccc(OCc3ccccc3)c2)[nH]1,0.0
4300,CO-ADD:0318913,17.97,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)Cl)c24,0.0
4301,CO-ADD:0249362,17.97,c1(\C=N\NC(=O)c2ccc(cc2)OCC=C)c(C)cc(cc1C)C,0.0
4302,CO-ADD:0254431,17.97,C1(C)(OCCO1)CC(=O)N\N=C\c(cc2)ccc2Br,0.0
4303,CO-ADD:0248898,17.97,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c4ccccc4OCc5ccccc5)C2,0.0
4304,CO-ADD:0249320,17.97,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc(cc4)ccc4I,0.0
4305,CO-ADD:0249541,17.97,S(N)(=O)(=O)c1c(F)ccc(C(O)=O)c1,0.0
4306,CO-ADD:0249164,17.97,s1c(N)nnc1SCC(=O)NCc2ccco2,0.0
4307,CO-ADD:0254637,17.97,N1(c2ccc(cc2)Br)C(c3ccc(cc3)F)Nc(c4C1=O)cccc4,0.0
4308,CO-ADD:0254631,17.97,c1(cc(Cl)ccc1O)C(=O)NNC(=O)\C=C\c2ccccc2,0.0
4309,CO-ADD:0254591,17.97,S(NCCCCCCCC(OC)=O)(=O)(=O)c(cc1)ccc1[N+](=O)[O-],0.0
4310,CO-ADD:0254305,17.97,N1(c2ccccc2)\C(=N/N=C/c(cc3)ccc3Br)\SC(CC(O)=O)C1=O,0.0
4311,CO-ADD:0254845,17.97,N12C(S\C(=C\c3cc(Br)ccc3F)\C1=O)=C(C(c4cc(Br)ccc4F)C(C#N)=C2N)C(OC)=O,0.0
4312,CO-ADD:0254768,17.97,c1(NC(=O)c2cccc(cccc3)c23)sc(c4c1C(OCC)=O)CCCC4,0.0
4313,CO-ADD:0254875,17.97,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)ccc4OC(C)=O)\C1=O,0.0
4314,CO-ADD:0252833,17.97,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc(cc2)ccc2\C(\C)=N\NC(=O)CC3(CCCCC3)O)c1,0.0
4315,CO-ADD:0249650,17.96,C(/S\C(\C1=O)=C/c(cc(OC)c(c2)OC)c2Br)(=N\C(C)=O)\N1,0.0
4316,CO-ADD:0249258,17.96,C(=O)(Nc(cc1)ccc1OC)C(NCCC2=CCCCC2)=O,0.0
4317,CO-ADD:0249197,17.96,c1(C(N)=O)sc2c(c(C)cc(COC)n2)c1N,0.0
4318,CO-ADD:0249536,17.96,c(sc(c1C(F)(F)F)c2ccc(cc2)Cl)(n1)N(c3ccc(cc3C)C)C(=O)c4ccc(cc4Cl)Cl,0.0
4319,CO-ADD:0249157,17.96,N(c1ccccc1F)C(COc(ccc(c2C)Br)c2)=O,0.0
4320,CO-ADD:0254675,17.96,C1(C#N)(C(OCC)=O)C(c2ccc(cc2)F)C(N(c3c(cccc3)C=C4)C14)C(c5ccccc5)=O,0.0
4321,CO-ADD:0255081,17.96,C(OC)(=O)c1ccc(cc1)NC(=O)CCN(CC2)CCN2Cc3ccccc3,0.0
4322,CO-ADD:0254342,17.96,c1(Nc(cc2)ccc2C)c(CC=C)c(C)nc(c3ccccc3)n1,0.0
4323,CO-ADD:0253080,17.96,c1(NC(=O)Cn(ccn2)c2)nnc(C)s1,0.0
4324,CO-ADD:0320498,17.96,C(=N/c(cc1)ccc1F)(/SC(C(=O)Nc(cc2)ccc2OC(F)(F)Cl)CC3=O)\N3C,0.0
4325,CO-ADD:0320459,17.95,c12c(CCNC1c3ccc(c(O)c3)OC)cc(c(OCC)c2)OCC,0.0
4326,CO-ADD:0254291,17.95,C1(C)(C(C)(C)N(C(=S)S1)C)\[N+](\[O-])=C([H])\c(cc2)ccc2[N+](=O)[O-],0.0
4327,CO-ADD:0320507,17.95,C(=N/c(cccc1C(F)(F)F)c1)(/SC(C(=O)Nc(cc2)ccc2OC(F)(F)Cl)CC3=O)\N3CCc(cc4)ccc4OC,0.0
4328,CO-ADD:0248273,17.95,c1([nH]c(c(c2ccccc2)n1)c3ccccc3)c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4O,0.0
4329,CO-ADD:0318778,17.95,c1(ccoc1C)C(=O)Nc2ccc(cn2)Br,0.0
4330,CO-ADD:0254670,17.95,c1(SCC(=O)Nc(cccc2C(F)(F)F)c2)[nH]c(c3n1)ccc(C)c3,0.0
4331,CO-ADD:0249716,17.95,n1(\N=C\c2cccc(OC)c2)c(S)nnc1c3ccccc3,0.0
4332,CO-ADD:0247491,17.95,c1(cc(C)ccc1N)C(CCCCC(OC)=O)=O.Cl,0.0
4333,CO-ADD:0253042,17.95,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccccc5)SC(=NN2c6ccc(cc6)Br)C(C)=O,0.0
4334,CO-ADD:0247669,17.95,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c(cccc3[N+](=O)[O-])c3,0.0
4335,CO-ADD:0252775,17.95,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c4c5c(cccc5)cc(cccc6)c46,0.0
4336,CO-ADD:0247429,17.95,n1(CCC(O)=O)c2c(c(cccc3)c13)cccc2,0.0
4337,CO-ADD:0255131,17.94,S(=O)(=O)(N(c1ccccc1)CC(=O)NC2CCCCC2)c3ccccc3[N+](=O)[O-],0.0
4338,CO-ADD:0319941,17.94,c1(C2c3cccs3)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
4339,CO-ADD:0255107,17.94,C1(CC1)(C(C=C2)C(C3C(=O)Nc(cc4)ccc4C(OC)=O)C(O)=O)C23,0.0
4340,CO-ADD:0249459,17.94,c1(\C=N\NC(COc2c(C)ccc(C(C)C)c2)=O)cc(OC)ccc1OCc3cccc(Br)c3,0.0
4341,CO-ADD:0318811,17.94,c1(NC(=O)c(cc2)cc(c2[N+](=O)[O-])C)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
4342,CO-ADD:0247765,17.94,[N+]1([O-])=C(c2ccccc2)C(N(O)C1c3ccccc3O)(C)C,0.0
4343,CO-ADD:0247749,17.94,c1(c2c(C3=O)cccc2)c3cccc1C(=O)N(CC4)CCO4,0.0
4344,CO-ADD:0248031,17.94,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc2n[nH]cn2,0.0
4345,CO-ADD:0254963,17.94,n1(nnc(C(=O)N\N=C/c(ccc(c2)N(CC)CC)c2O)c1CN3CCCCCC3)c4nonc4N,0.0
4346,CO-ADD:0252653,17.94,c1(ccc(CN2CCCCC2)o1)C(O)=O.Cl,0.0
4347,CO-ADD:0252581,17.93,N1(Cc(ccc(c2Cl)Cl)c2)C(CCCC3)=C3C(C4=C1CCC4)=N,0.0
4348,CO-ADD:0253000,17.93,N(CCN1C(=O)COc2ccccc2)(C1c3ccccc3)S(=O)(=O)c4ccc(cc4)C,0.0
4349,CO-ADD:0254933,17.93,C(=O)(N\N=C\c1ccccc1Cl)c2ccccc2C,0.0
4350,CO-ADD:0252663,17.93,N1(Cc(ccc(c2Br)OC)c2)\C(=N\N=C\c(cc3)ccc3OC)\SCC1=O,0.0
4351,CO-ADD:0320395,17.93,N1C(COc(ccc2C(OC)=O)c1c2)=O,0.0
4352,CO-ADD:0253064,17.93,c12c(cc(C)nc1)c3c(cccc3)C2=O,0.0
4353,CO-ADD:0252301,17.93,[N+](/[O-])(=C/c(cc1)ccc1Br)\C2(CCCCC2=O)C,0.0
4354,CO-ADD:0320203,17.93,c1(C(OCC)=O)sc(c2c1NC(C)=O)cc(cc2[N+](=O)[O-])[N+](=O)[O-],0.0
4355,CO-ADD:0247846,17.93,N1(c2ccccc2c3ccccc3)C(=O)c(c4C1=O)ccc(c4)C(O5)=Nc(c6C5=O)ccc(Br)c6,0.0
4356,CO-ADD:0254700,17.93,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc4c5ccc(cc5[N+](=O)[O-])Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
4357,CO-ADD:0252262,17.93,N(\C(=C/c(ccc(c1OCC)OCc2ccccc2)c1)\C(O3)=O)=C3c4ccc(cc4)C,0.0
4358,CO-ADD:0254765,17.93,C(C(c1ccccc1)=O)(C2c(cc3)ccc3N(C)C)=C(O)C(N2c4cccc(C)c4)=O,0.0
4359,CO-ADD:0252990,17.93,c1(NC(COC(CSc2nc(C)cc(C)n2)=O)=O)sc(c3n1)cccc3,0.0
4360,CO-ADD:0252288,17.92,N#Cc1ccccc1\C=C\C(OCCN(CC)CC)=O,0.0
4361,CO-ADD:0254502,17.92,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc4)ccc4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])\C1=O)=NC(C)=C2C(OCC)=O,0.0
4362,CO-ADD:0253114,17.92,c1(NC(=O)\C=C\C)nnc(C)s1,0.0
4363,CO-ADD:0254398,17.92,N1C(Oc(c2C1=O)cccc2)C(Cl)(Cl)Cl,0.0
4364,CO-ADD:0248061,17.92,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
4365,CO-ADD:0252576,17.92,C(=O)(c1ccc(cc1)Cl)Oc(cc2)ccc2\C=N\NC(CCC3CCCCC3)=O,0.0
4366,CO-ADD:0255222,17.92,N1(c2c(OC1=O)cccc2)CC(=O)N(CC)CC,0.0
4367,CO-ADD:0253133,17.92,C(CSCc1ccccc1Cl)(=O)N\N=C\c(ccc(c2Cl)Cl)c2,0.0
4368,CO-ADD:0248165,17.92,C(C(=O)OCc1ccccc1)(C2c3ccc(cc3)OCC)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
4369,CO-ADD:0248108,17.92,c1(SCC(=O)NC(C)CNC(CSc2nc(C)cc(C)n2)=O)nc(C)cc(C)n1,0.0
4370,CO-ADD:0253013,17.92,C1(=O)Oc(c(c2)N1C)cc(c2C(=O)N(CCCC)CCCC)Cl,0.0
4371,CO-ADD:0248003,17.92,n1cn[nH]c1SCC(=O)Nc(cc2)ccc2C(OC)=O,0.0
4372,CO-ADD:0247969,17.92,C(=C/c(cc1)ccc1F)(/NC(C)=O)\C(=O)N(C)C,0.0
4373,CO-ADD:0247864,17.91,s1c(C2CCCCC2)nnc1NC(=O)C(C)(C)C,0.0
4374,CO-ADD:0319946,17.91,c1(C2c3cccs3)c([nH]nc1c4ccc(c(OC)c4)OCC)OC(N)=C2C#N,0.0
4375,CO-ADD:0319954,17.91,c1(noc(c2cc(F)c(cc2Cl)F)n1)c3nonc3N,0.0
4376,CO-ADD:0319117,17.91,S(=O)(=O)(c1ccc(cc1)F)Nc(cc2)ccc2OCC(=O)N(CC3)CCO3,0.0
4377,CO-ADD:0320171,17.91,C(c1ccc(c2n1)cccc2)(C(C#N)c3c(N4C)cccc3)=C4,0.0
4378,CO-ADD:0319095,17.91,C(NCCOc(cc1)ccc1C)(=O)c2cccc(c3ccc(cc3)OC)c2,0.0
4379,CO-ADD:0319048,17.91,C(c1ccccc1)(=O)N(CC2)CCN2c3ccc(cc3F)C(CCC)=O,0.0
4380,CO-ADD:0319433,17.91,C(NC(CCCN1CC)C1)(C2(CCCCC2)OC3=O)=C3,0.0
4381,CO-ADD:0319447,17.91,N1(C(C)(C)CC(CC1(C)C)NC(C)=O)OC(=O)c2ccco2,0.0
4382,CO-ADD:0319215,17.91,S(NCCC(c1ccccc1)c2ccccc2)(=O)(=O)c3ccc(cc3)F,0.0
4383,CO-ADD:0319113,17.91,c1(c(OC)ccc(c1)[N+](=O)[O-])C(=O)Nc(cc2)ccc2OCC(=O)N(CC3)CCO3,0.0
4384,CO-ADD:0319082,17.91,c1(ccc(c(OC)c1OC)OC)C(=O)Nc(cc2)ccc2OCC(=O)N(CC3)CCO3,0.0
4385,CO-ADD:0318764,17.91,N1(c2ccccc2)C(=O)CC(N(Cc(cc3)ccc3OC)C(=O)C(F)(F)F)C1=O,0.0
4386,CO-ADD:0318693,17.91,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5cccs5)c24,0.0
4387,CO-ADD:0319193,17.9,c1(NC(=O)C2CC2c3ccccc3)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
4388,CO-ADD:0319404,17.9,S(=O)(=O)(Nc(ccc1c2c3c(o1)cccc3)c2)c(ccc(c4[N+](=O)[O-])C)c4,0.0
4389,CO-ADD:0318744,17.9,S(c1ccccc1)(=O)(=O)N(CC(O)CN(CCCC)CCCC)c2ccccc2OC,0.0
4390,CO-ADD:0318703,17.9,c1(cccs1)C(NCCc(ccc(c2OCC)OCC)c2)=O,0.0
4391,CO-ADD:0319122,17.9,c1(cc(Cl)ccc1OC)C(=O)Nc(cc2)ccc2OCC(=O)N(CC3)CCO3,0.0
4392,CO-ADD:0321164,17.9,C(/S1)(\Oc2c1cc(cc2C)C)=C(/C(OC)=O)\C(F)(F)F,0.0
4393,CO-ADD:0319012,17.89,C(CSCc(cc1)ccc1Cc(cc2)ccc2CSCC(=O)Nc3ccccc3)(=O)Nc4ccccc4,0.0
4394,CO-ADD:0319398,17.89,n1(c2ccccc2)c(SCC(=O)N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-])nnc1c5ccc(cc5)Cl,0.0
4395,CO-ADD:0165885,17.89,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(=O)c2ccc(cc2)NC(C)=O,0.0
4396,CO-ADD:0166205,17.89,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
4397,CO-ADD:0320575,17.89,N1(C(C(C)C)C(O)=O)C(=O)c2c(cccc2)C1=O,0.0
4398,CO-ADD:0166588,17.89,C(=C\c(ccc(c1OC)OC)c1)(/C(NCC=C)=O)\NC(c2ccccc2)=O,0.0
4399,CO-ADD:0321105,17.89,N(C(COc(cc1)ccc1F)=O)c2cccc(C)n2,0.0
4400,CO-ADD:0319344,17.89,n1(c2ccccc2)c(SCc3ccccc3[N+](=O)[O-])nnc1c4ccc(cc4)OC,0.0
4401,CO-ADD:0318807,17.89,C1(NC(=O)C(C)Oc2ccccc2Br)=C(C)N(N(c3ccccc3)C1=O)C,0.0
4402,CO-ADD:0321139,17.89,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2CC(=O)Nc3ccccc3C(F)(F)F,0.0
4403,CO-ADD:0318695,17.88,c1(C2c3cccc(F)c3)c([nH]nc1c4ccc(cc4)F)OC(N)=C2C#N,0.0
4404,CO-ADD:0320192,17.88,c1(c(ccc2C(=O)N(C)C)C(=O)c(c3C1=O)cccc3)c2[N+](=O)[O-],0.0
4405,CO-ADD:0319465,17.88,c1(SCc2cccc(c3ccccc3)c2C)sc4c(ccc(OCC)c4)n1,0.0
4406,CO-ADD:0320489,17.88,c1(C(=O)N(C)C(N2C)=O)c2nc(n(c3C45CC6CC(CC(C6)C4)C5)c7ccc(cc7)OC)n1c3,0.0
4407,CO-ADD:0318995,17.88,N1(c2cc(Cl)ccc2[N+](=O)[O-])N=C(\C(=C\c(ccc3c4cccc(Cl)c4C)o3)\C1=O)C,0.0
4408,CO-ADD:0318936,17.88,C(O)(O1)(CC(=N1)C(C)(C)C)C(F)(F)F,0.0
4409,CO-ADD:0318736,17.88,n(CC(O)COc(cc1)ccc1I)(c2c(n3)cccc2)c3CC,0.0
4410,CO-ADD:0319353,17.88,c1(SCc2c(cccc2Cl)Cl)oc(c3n1)cccc3,0.0
4411,CO-ADD:0320468,17.88,c1(c(Cl)cc(c(F)c1)F)NC(NCCSc2ccccc2C)=O,0.0
4412,CO-ADD:0319473,17.88,n1(CC=C)c(SCC(NCCOc2ccccc2)=O)nnc1c3ccc(cc3)OCCCCCCCCCC,0.0
4413,CO-ADD:0321107,17.88,N1(CCc(cccc2)c12)C(=O)c3ccc(c(OC)c3)OCc4cccc(F)c4,0.0
4414,CO-ADD:0319436,17.88,c1(cc(OC)cc(OC)c1)C(NCCOc2ccccc2)=O,0.0
4415,CO-ADD:0319460,17.88,C(=O)(NC(NCCCC)=O)c1c(Cl)cc(nc1Cl)Cl,0.0
4416,CO-ADD:0321162,17.88,C(F)(Cl)(OC(F)(F)F)C(F)(F)Sc1ccc(cc1O)O,0.0
4417,CO-ADD:0319188,17.88,c1(NC(=O)c2ccc(Br)o2)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
4418,CO-ADD:0320410,17.88,N1(CCCCCC(=O)Nc(cccc2C(=O)Nc3cccc(Cl)c3)c2)C(=O)c4c(cccc4)C1=O,0.0
4419,CO-ADD:0318988,17.88,C(=O)(N1CCCCC1)c2ccccc2C(=O)Nc(cc3)ccc3C,0.0
4420,CO-ADD:0319989,17.88,c1(C2c3ccc(cc3)OCc4c(cccc4F)Cl)c([nH]nc1c5ccc(c(OC)c5)OCC)OC(N)=C2C#N,0.0
4421,CO-ADD:0243824,17.88,C(c1ccccc1O)(=NC(C)C2)c(c(OCO3)c34)c2cc4OC.Cl,0.0
4422,CO-ADD:0243305,17.87,C(CCCC1=O)(OC(N)=C2C#N)=C1C2c(c(OC)c3OC)cc(O4)c3OC4,0.0
4423,CO-ADD:0243109,17.87,c(OC)(c1OC)c(CC2CC(C(OCC)=O)=NO2)c(\C=N/NC(c(cc3)ccc3[N+](=O)[O-])=O)c(OCO4)c14,0.0
4424,CO-ADD:0243013,17.87,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCCc(cc4)ccc4C)O3)OC.Cl,0.0
4425,CO-ADD:0243219,17.87,c1(c(OCO1)c2\C=N\NC(Cc3ccccc3)=O)c(OC)c(c2CC(C4)ON=C4C(OCC)=O)OC,0.0
4426,CO-ADD:0243251,17.87,C1(C(NN)=O)=NOC(c(cc2OC)cc(c23)OCO3)C1C,0.0
4427,CO-ADD:0243659,17.87,c(OCO1)(c1c2OC)c(OC)cc2C(=O)C[N+](=O)[O-],0.0
4428,CO-ADD:0243656,17.86,c(C(=O)O\N=C(\NC(=O)C)/Cc(cc1)ccc1OC)(c2)c(OC)c(OCO3)c3c2OC,0.0
4429,CO-ADD:0243448,17.86,c(C1c2cc(OC)c3c(OCO3)c2OC)(c(NC(C1)=O)c4C(O)=O)n(c5cc(Cl)ccc5)c4,0.0
4430,CO-ADD:0243185,17.86,C(C1ON=C(CN2CCN(C)CC2)C1)c(c3OC)cc(OC)c4c3OCO4,0.0
4431,CO-ADD:0243855,17.86,C1=C(C)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)Nc(cc4OC)cc(OC)c4OC)=C1O,0.0
4432,CO-ADD:0243911,17.86,C(C(NC=C1C(OCC)=O)=O)(C(CC(NCCc(cc2)ccc2O)=O)c3c(OC)c4c(OCO4)c(OC)c3)=C1O,0.0
4433,CO-ADD:0243177,17.86,C(C1ON=C(C(=O)N\N=C\c(c2)cncc2)C1)c(c3OC)cc(OC)c4c3OCO4,0.0
4434,CO-ADD:0243561,17.86,c12c(C(CC(=O)N1)c(cc(OC)c(c34)OCO3)c4)snc2c5ccc(cc5)F,0.0
4435,CO-ADD:0243082,17.86,c(C1C(C#N)=C(N)OC(CC2)=C1C(=O)C2)(c3OC)c(CC4CC(C(OCC)=O)=NO4)c(OC)c(OCO5)c35,0.0
4436,CO-ADD:0243754,17.86,N(CC1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3sccc3)C2c4c(OC)c(OCO5)c5c(OC)c4,0.0
4437,CO-ADD:0243381,17.86,c1(c(ns2)c3ccc(cc3)OC)c2C(CC(=O)N1)c(cc(OC)c(c45)OCO4)c5OC,0.0
4438,CO-ADD:0243437,17.85,c(OCO1)(c(OC)c([N+](=O)[O-])c2C=O)c1c2OC,0.0
4439,CO-ADD:0243388,17.85,c(C1c(cc(c2c3OCO2)OC)c3)(c4N)c(NC(=C1C(OCC)=O)C)sc4C(=O)c5ccc(OC)cc5,0.0
4440,CO-ADD:0243438,17.85,COc1c(C\C(=N\O)\N)cc(OC)c2c1OCO2,0.0
4441,CO-ADD:0243750,17.85,N(CC1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3sccc3)C2c4c(OC)c(OC)c(OCO5)c5c4,0.0
4442,CO-ADD:0243446,17.85,c(OC1)(c(OC)cc2CCN)c(O1)c2OC.Cl,0.0
4443,CO-ADD:0243375,17.85,c(OC)(cc1C(=O)O)c(OC2)c(O2)c1,0.0
4444,CO-ADD:0243431,17.85,c(OC1)(c(OC)cc2c(nc(CCl)o3)n3)c(O1)c2OC,0.0
4445,CO-ADD:0243198,17.85,c(OC1)(c(OC)c(OC)c2\C=C\C(=O)NCCO)c(O1)c2,0.0
4446,CO-ADD:0243808,17.85,c(c(c1)ccc(OC)c1)(c2c(c3)cc(OCO4)c4c3OC)[nH]nn2,0.0
4447,CO-ADD:0215670,17.84,[N+](=O)([O-])c1c(C)ccc(c1)NC2CC(C(CO)O2)O,0.0
4448,CO-ADD:0164611,17.84,Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1,0.0
4449,CO-ADD:0165063,17.84,CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,0.0
4450,CO-ADD:0164964,17.84,O[C@@H]1CCCC[C@H]1N1CCC(CC1)c1ccccc1.Cl,0.0
4451,CO-ADD:0165009,17.84,Cc1onc(c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C([O-])=O)-c1ccccc1.[Na+],0.0
4452,CO-ADD:0164782,17.84,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,0.0
4453,CO-ADD:0164493,17.84,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1,0.0
4455,CO-ADD:0164911,17.83,CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O,0.0
4456,CO-ADD:0164784,17.83,O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12,0.0
4457,CO-ADD:0165022,17.83,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,0.0
4458,CO-ADD:0165046,17.83,CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O.Cl,0.0
4459,CO-ADD:0164400,17.83,[O-]S(=O)(=O)CCS.[Na+],0.0
4460,CO-ADD:0164638,17.83,CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12.Cl,0.0
4461,CO-ADD:0164397,17.83,CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C)c1,0.0
4462,CO-ADD:0164624,17.82,CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12.Cl,0.0
4463,CO-ADD:0165004,17.82,CC(C)(S)C(N)C(O)=O,0.0
4464,CO-ADD:0164628,17.82,Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,0.0
4465,CO-ADD:0164668,17.82,FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1,0.0
4466,CO-ADD:0164676,17.82,Cc1c(O)cccc1C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C.CS(=O)(=O)O,0.0
4467,CO-ADD:0165056,17.82,CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1.[Br-],0.0
4468,CO-ADD:0164547,17.82,C(C1=NCCN1)c1cccc2ccccc12.Cl,0.0
4469,CO-ADD:0164579,17.81,CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl,0.0
4470,CO-ADD:0218488,17.81,C(=O)(Nc1ccc(c(OC)c1)OC)Nc2ccccc2I,0.0
4471,CO-ADD:0218512,17.81,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)Nc2cc(C)ccc2C,0.0
4472,CO-ADD:0218000,17.81,C1(=O)Nc(c2N1)ccc(c2)\N=C\c3cccc(C)c3O,0.0
4473,CO-ADD:0218008,17.81,N(\C(=C/c1cccc(Br)c1)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
4474,CO-ADD:0165019,17.81,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12,0.0
4475,CO-ADD:0164981,17.81,CC(C[C@@H](C(N[C@@H](C(N1CCC[C@@H]1C(NNC(N)=O)=O)=O)CCCNC(N)=N)=O)NC([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]2CCC(N2)=O)=O)CC3=CNC=N3)=O)CC4=CNC5=C4C=CC=C5)=O)CO)=O)CC6=CC=C(C=C6)O)=O)COC(C)(C)C)=O)C.CC(O)=O,0.0
4476,CO-ADD:0164661,17.81,COc1nc(C)nc(Cl)c1NC1=NCCN1.Cl,0.0
4477,CO-ADD:0164714,17.81,COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1,0.0
4478,CO-ADD:0164748,17.81,COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,0.0
4479,CO-ADD:0164764,17.81,CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,0.0
4480,CO-ADD:0217865,17.81,n1cn[nH]c1SCC(=O)Nc2ccccn2,0.0
4481,CO-ADD:0218442,17.81,C(CCC(OC)=O)(=O)Nc(cc1)ccc1OC,0.0
4482,CO-ADD:0217890,17.8,C(=O)(COc1ccc(cc1OC)C=O)N(CC2)CCO2,0.0
4483,CO-ADD:0217898,17.8,C(=O)(CN(CC1)CCN1CC(=O)Nc(cc2)ccc2C)Nc(cc3)ccc3C,0.0
4485,CO-ADD:0164830,17.8,CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl,0.0
4486,CO-ADD:0164484,17.8,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O[N+](=O)[O-],0.0
4487,CO-ADD:0164870,17.8,CC(C)(C)C(O)\C=C\c1ccc2OCOc2c1,0.0
4488,CO-ADD:0164476,17.79,CN(C)CCCN1c2ccccc2CCc2ccccc12.Cl,0.0
4489,CO-ADD:0164693,17.79,NCCc1ccccn1,0.0
4490,CO-ADD:0164912,17.79,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1.[Na+],0.0
4491,CO-ADD:0164433,17.79,Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1.Cl,0.0
4492,CO-ADD:0164519,17.79,COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12,0.0
4493,CO-ADD:0164881,17.79,CC(N)C(=O)Nc1c(C)cccc1C,0.0
4494,CO-ADD:0164455,17.79,NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O,0.0
4495,CO-ADD:0218490,17.79,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c1ccccc1,0.0
4496,CO-ADD:0218234,17.78,C(=N/c(cc1)ccc1c2ccccc2)(/c3c(N4)ccc(Br)c3)\C4=O,0.0
4497,CO-ADD:0164799,17.78,CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)=O,0.0
4498,CO-ADD:0164747,17.78,COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C,0.0
4499,CO-ADD:0164692,17.78,Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1,0.0
4500,CO-ADD:0164820,17.78,NS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1Cl,0.0
4501,CO-ADD:0164700,17.78,C[N+]1(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CCCCC1.[Br-],0.0
4502,CO-ADD:0164550,17.78,CCN1CC(CCN2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1.Cl,0.0
4503,CO-ADD:0218018,17.78,c1(oc(c2n1)ccc(c2)\N=C\c3cc(Cl)ccc3O)c4c(O)cc(c5c4)cccc5,0.0
4504,CO-ADD:0218480,17.78,C(NCCCC)(=O)C(Cc(cc1)ccc1O)NC(C)=O,0.0
4505,CO-ADD:0164966,17.78,Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0.0
4506,CO-ADD:0164989,17.78,CC(C)(C(=O)c1cccnc1)c1cccnc1,0.0
4507,CO-ADD:0164649,17.78,Oc1ncc(F)cn1,0.0
4508,CO-ADD:0165029,17.78,Nc1nc(O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1,0.0
4509,CO-ADD:0165061,17.78,C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12,0.0
4510,CO-ADD:0164818,17.77,CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.OC(=O)/C=C\C(=O)O,0.0
4511,CO-ADD:0164418,17.77,Clc1ccc(CO\N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O[N+](=O)[O-],0.0
4512,CO-ADD:0164520,17.77,Nc1nc(O)ncc1F,0.0
4513,CO-ADD:0164379,17.77,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O,0.0
4514,CO-ADD:0215678,17.77,[N+](=O)([O-])c1ccccc1C(=O)Nc2ccc(cc2C)C,0.0
4515,CO-ADD:0215302,17.77,c(C#N)(cc(C(C)=O)c(n1)C)c1SCC(=O)Nc2cccc(C)c2,0.0
4516,CO-ADD:0215806,17.77,C(=O)(\C=C\C=C\C)Nc(cc1)ccc1Cc(cc2)ccc2NC(=O)\C=C\C=C\C,0.0
4517,CO-ADD:0215799,17.77,C(F)(F)(F)C(=O)Nc(c1)cc(cc1C(O)=O)NC(=O)C(F)(F)F,0.0
4518,CO-ADD:0153101,17.77,CN1C=C(NC(C2=CC(NC(C3=CC(NC([H])=O)=CN3C)=O)=CN2C)=O)C=C1C(NC4=NC(C(NCCCN(C)C)=O)=C(C(C)C)S4)=O.OC(C(F)(F)F)=O,0.0
4519,CO-ADD:0149741,17.77,NC1=C2C(CCCC2)=NC3=C1C=C(C(NC(C)=O)=NN4C)C4=N3,0.0
4520,CO-ADD:0149689,17.76,CC(C(C(OCC)=O)=C1C2=CC=CC=C2)=NC(NCCCCC3CCN(CC4=CC=CC=C4)CC3)=C1C#N,0.0
4521,CO-ADD:0149618,17.76,BrC1=C2C(NC(C(C)C2)=O)=C3C(N=C(CCCC4)C4=C3N)=N1,0.0
4522,CO-ADD:0149753,17.76,NC(OC1=C2C(C=CC=C3)=C3C=C1)=C(C2C4=CC=C(C=C4)OC)C#N,0.0
4523,CO-ADD:0148578,17.76,O=C(NC1=CC(O)=CC=C1O)NC2=CC=C(O)C=C2O,0.0
4524,CO-ADD:0148583,17.76,O=C(C1=CC(OC)=CC=C1OC)CCC2=CC=CC=C2O,0.0
4525,CO-ADD:0148588,17.76,COC(C=CC(OC)=C1)=C1C2=CN(C3=CC(OC)=C(OC)C=C3)N=N2,0.0
4526,CO-ADD:0149726,17.76,O=C1NC(C2=CC=C(C=C2)OC)=CC(C3=C(Cl)N=C(C(OC)=CC=C4OC)C4=C3)=C1,0.0
4527,CO-ADD:0149691,17.76,Cl/C=C(C1)/N2C(C(C#N)=C(C3=CC=CC=C3)C(C#N)=C2N1C)=O,0.0
4528,CO-ADD:0149846,17.76,BrC(/C(OC1=C2C(C=CC=C3)=C3C=C1)=NBr)(C2C4=CC=C(C=C4)OC)C#N,0.0
4529,CO-ADD:0153085,17.76,CN1C=C(NC(C(C=C2)=CC3=C2N=C(/C=C/C4=CC=C(C=C4)SC)C=C3)=O)C=C1C(NC5=CN(C)C(C(NCCN6CCOCC6)=O)=C5)=O.OC(C(F)(F)F)=O,0.0
4530,CO-ADD:0149625,17.76,NC(C1=CC2=CC(OCC3=CC=CC=C3)=CC=C2N1)=O,0.0
4531,CO-ADD:0153106,17.76,CN1C=C(NC(C2=CC(NC(C)=N)=CN2C)=O)C=C1C(NC3=CN(C)C(C(NCCCN(C)C)=O)=C3)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
4532,CO-ADD:0148590,17.75,O=C(CC1=CC(O)=CC=C1O)NC2=CC=C(O)C=C2,0.0
4533,CO-ADD:0148593,17.75,O=C(CC1=CC(OC)=CC=C1OC)NC2=C(OC)C=CC(OC)=C2,0.0
4534,CO-ADD:0149673,17.75,NC(C(C#N)=C1C2=CC=CC=C2)=NC(OCC)=C1C#N,0.0
4535,CO-ADD:0149851,17.75,BrC(/C(OC1=C2C=CC3=C1C=CC=C3)=NBr)(C2C4=CC=C(C(OC)=C4)OC)C#N,0.0
4536,CO-ADD:0149874,17.75,O=C(O)C(O)=O.[H]N1C2=CC=C(OCC3=CC=CC=C3)C=C2C=C1CN(CC#CC)C,0.0
4537,CO-ADD:0153111,17.75,CN1C=C(NC(C2=CC(NC(C3=CC=CC=C3)=N)=CN2C)=O)C=C1C(NC4=CN(CCC(C)C)C(C(NCCCN(C)C)=O)=C4)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
4538,CO-ADD:0149643,17.75,NC(C(C#N)=C1)=NC(C)=C1C(OCC)=O,0.0
4539,CO-ADD:0149649,17.75,NC1=C2C(CCCC2)=NC3=C1N=C(C=CC=C4)C4=N3,0.0
4540,CO-ADD:0153065,17.75,CC(C)CCC1=C(C(NCCCN(C)C)=O)N=C(NC(C2=CC(NC(C3=CC(NC(C4=CC=C(C(OC)=O)C=C4)=O)=CN3C)=O)=CN2C)=O)S1.OC(C(F)(F)F)=O,0.0
4541,CO-ADD:0149600,17.75,C#CCN(CC1=CC2=CC(OCC3=CC=C(OC(N(C)C)=O)C4=C3C=CC=N4)=CC=C2N1C)C,0.0
4542,CO-ADD:0149697,17.75,O=C1CC(C2=CC=CC=C2)C3=C(NN=C3N)N1,0.0
4543,CO-ADD:0149675,17.74,NC(C(C#N)=C1)=NC(NCC2=CC=CC=C2)=C1C#N,0.0
4544,CO-ADD:0245871,17.74,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])N(Cc2ccccc2)Cc3ccccc3)c1,0.0
4545,CO-ADD:0242978,17.74,C1(C)(CC(CC12)C=C2)C(=O)NNC(=O)C3(C)CC(CC34)C=C4,0.0
4546,CO-ADD:0242368,17.74,c(C(=O)OCc1ccccc1)(sc(c23)nc(cc2c4ccccc4)c5ccccc5OC)c3N,0.0
4547,CO-ADD:0245687,17.74,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
4548,CO-ADD:0244992,17.74,c1(SCC(=O)Nc(cc2)ccc2OCCCCC)sc(c3n1)cccc3,0.0
4549,CO-ADD:0244704,17.73,C(/C#N)(=C/c1ccccc1)\C(=O)NCc2ccccc2,0.0
4550,CO-ADD:0244835,17.73,C(C)N(C(=S)N1CC)C(C1N2)N=C3N2C(=O)\C(=C(\C4=O)/c(cc5)c(cc5)N4CC)\S3,0.0
4551,CO-ADD:0242722,17.73,C(/c1ccccc1)(\c2ccccc2)=N/c3ccccc3,0.0
4552,CO-ADD:0244568,17.73,C(/C(=O)c1ccc(cc1)Cl)=C\C(O)=O,0.0
4553,CO-ADD:0245494,17.73,n1(CC(OCC)=O)nnnc1N,0.0
4554,CO-ADD:0244542,17.73,N1(c2cccc(c2)\C=C\C(OCCC(C)C)=O)C(=O)c(c3C1=O)cccc3,0.0
4555,CO-ADD:0242783,17.73,c12c(cccn1)cccc2SCc(cc3)ccc3OC,0.0
4556,CO-ADD:0246142,17.73,N1(\N=C\c(ccc2I)o2)C(=O)C3C(C4C5(CC5)C3C=C4)C1=O,0.0
4557,CO-ADD:0245586,17.73,c1(N\N=C(/C)\c2ccc(cc2)Br)sc(c3n1)cccc3,0.0
4558,CO-ADD:0242653,17.73,C1(C2c3ccc(cc3)OCC(OC(C)C)=O)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
4559,CO-ADD:0245829,17.73,C(OCCOc1ccccc1)(=O)Nc2cccc(C)c2,0.0
4560,CO-ADD:0244874,17.73,[C@@]([H])(N(C)C(=O)N1C)([C@@]1([H])N2)N3C(S[C@]4([C@@H](c(c5)ccc([N+](=O)[O-])c5)CN(C)[C@]4(C6=O)c(cc7Br)c(cc7)N6CC)C3=O)=N2,0.0
4561,CO-ADD:0242756,17.73,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
4562,CO-ADD:0244171,17.73,c1(OC)c(OC)cc(cc1OC)\C=N\NC(=O)c2cccc(C)c2,0.0
4563,CO-ADD:0244901,17.73,C1(c(cc2)ccc2)(C3(c(cc4)ccc4)NC(=S)N1)N(C)C(=O)N3C,0.0
4564,CO-ADD:0242641,17.73,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N3CCSC3c4ccccc4,0.0
4565,CO-ADD:0241997,17.73,N1(c2ccc(c3c2)cccc3)C(=O)C(C4C1=O)C(C=C5)C6(C45)CC6,0.0
4566,CO-ADD:0244834,17.72,C(C)N(C(=S)N1CC)C(C1N2)N=C3N2C(=O)\C(=C(\C4=O)/c(cc5)c(cc5)N4C)\S3,0.0
4567,CO-ADD:0241729,17.72,C1(C#N)(C#N)C(c2ccc(cc2F)F)C(C3)C(C(C#N)=C1N)=CCN3C(C)C,0.0
4568,CO-ADD:0245368,17.72,C(OCCCCCC)(=O)c1ccc(cc1)NC(CCC)=O,0.0
4569,CO-ADD:0244529,17.72,C(=O)(c1cccc(c1)NC(CCCC)=O)N\N=C(\C)/C,0.0
4570,CO-ADD:0241437,17.72,c1(Nc(cc2)ccc2OC)nc(N\N=C\c3ccc(cc3Cl)Cl)nc(NCc4ccco4)n1.Cl,0.0
4571,CO-ADD:0245376,17.72,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccc(c(OC)c2)OC)c3cc(C)cc(C)c3,0.0
4572,CO-ADD:0245362,17.72,N1(c2cccc(C)c2)C(=O)C3C(C1=O)C(C(=O)C34c5ccccc5)(c6ccccc6)C(=C4c7ccc(c8c7)OCO8)c9ccc(c%10c9)OCO%10,0.0
4573,CO-ADD:0245552,17.72,S(C)(=O)(=O)N(c1ccccc1)CC(=O)N\N=C\c2ccccc2C(F)(F)F,0.0
4574,CO-ADD:0246096,17.72,N1(NC(=O)C2CC2)C(=O)C(C(C34)C1=O)C(c5c3cccc5)c6c4cccc6,0.0
4575,CO-ADD:0241263,17.71,c(C(OCC)=O)(sc(c12)nc(cc1c3ccccc3)c4ccc(cc4C)C)c2N,0.0
4576,CO-ADD:0246028,17.71,N1(\N=C\c2cccc(I)c2)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
4577,CO-ADD:0245846,17.71,N1([O])C(C)(C)CC(CC1(C)C)NC(=O)c2ccccc2C(=O)NC(CC3(C)C)CC(N3[O])(C)C,0.0
4578,CO-ADD:0245622,17.71,N(\C(=N/c1cccc(C)c1)\C2(N3c4ccccc4C)CCCCC2)=C3SC.I,0.0
4579,CO-ADD:0245573,17.71,N(C(=O)c(cc1)ccc1C(c2ccccc2)=O)c3c(C)cc(cc3C)C,0.0
4580,CO-ADD:0246219,17.71,N(/C(C)c1ccccc1)=C\c(cc2)ccc2OCc(cc3)ccc3Br,0.0
4581,CO-ADD:0246155,17.71,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(cc3OC)cc(c3OCC#C)I,0.0
4582,CO-ADD:0246126,17.71,C(C#N)(C1c2ccc(cc2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)F,0.0
4583,CO-ADD:0245919,17.71,C(CSC1CCCCO1)(NC(=O)C2CCC(=O)N2)C(NN)=O,0.0
4584,CO-ADD:0245625,17.71,N(c1c(C)cccc1C)(C(=O)c2ccc(cc2)Cl)C(=O)C(c(cc3)ccc3[N+](=O)[O-])N(CC4)CCO4,0.0
4585,CO-ADD:0241221,17.71,C1(=S)N\C(\C2(CCCC2)N1c3ccccc3Cl)=N/c4cccc(C)c4,0.0
4586,CO-ADD:0241168,17.7,n(Cc1cccc(Cl)c1)(nc(c2c3ccccc3)C)c2N,0.0
4587,CO-ADD:0246223,17.7,C(CSc(cc1)ccc1Cl)(=O)N\N=C(/CC)\Cc2ccccc2,0.0
4588,CO-ADD:0242793,17.7,c1(C(OCC)=O)sc(c2c1C)ncnc2N,0.0
4589,CO-ADD:0246140,17.7,N1(c(ccc(c2C(O)=O)Cl)c2)C(=O)C(C3C1=O)C4C=CC3CC4,0.0
4590,CO-ADD:0241245,17.7,c1(c2ccc(cc2)NC(=O)c3cccs3)[nH]c(c4n1)cccc4,0.0
4591,CO-ADD:0245886,17.7,[N+](=O)([O-])\N=C(/N)\N\N=C(\C)/C[N+](=O)[O-],0.0
4592,CO-ADD:0245894,17.7,N(c(ccc(c12)cccc1)c2)c3ccccc3C,0.0
4593,CO-ADD:0245577,17.7,n(c(SCC(=O)N(CC1)CCO1)nc(n2)SCC(=O)N(CC3)CCO3)c2SCC(=O)N(CC4)CCO4,0.0
4594,CO-ADD:0242912,17.7,c1(c(cc2)cc[n+]2C)cc3c(ccc(C)c3)[nH]1.[I-],0.0
4595,CO-ADD:0246211,17.7,C(OCC)(=O)N\N=C\c(cc1)ccc1N(C)c2ccccc2,0.0
4596,CO-ADD:0246204,17.7,N(c1ccccc1C)C(CCC(=O)N\N=C\c2ccccc2Cl)=O,0.0
4597,CO-ADD:0245906,17.7,C(c1ccccc1)(c2ccccc2)(c3ccc(cc3)\N=C\c4ccco4)c5ccc(cc5)\N=C\c6ccco6,0.0
4598,CO-ADD:0242874,17.7,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
4599,CO-ADD:0245905,17.7,C(=O)(NNC(C1CCCCC1)=O)c(cccn2)c2,0.0
4600,CO-ADD:0241133,17.7,c1(C(OCC)=O)[nH]c(c(C(CCCCCCC)=O)c1C)C,0.0
4601,CO-ADD:0241678,17.69,c1(C#N)c(SCC(=O)Nc2c(Br)cc(cn2)Br)nsc1SCC(=O)Nc3c(Br)cc(cn3)Br,0.0
4602,CO-ADD:0245762,17.69,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
4603,CO-ADD:0245403,17.69,n1c(N2CCCCC2)c(Nc(cc3)ccc3OC)nc(non4)c14,0.0
4604,CO-ADD:0241149,17.69,N1(CNc2ccccc2OCC)C(=O)c3c(cccc3)C1=O,0.0
4605,CO-ADD:0241715,17.69,C1(C#N)(C#N)[C@H](c2ccc(cc2)OC)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5ccc(cc5)OC,0.0
4606,CO-ADD:0241070,17.69,C1(c2ccccc2)=C(C1C(=O)Nc(cc3)ccc3Br)c4ccccc4,0.0
4607,CO-ADD:0241666,17.69,C12(c3c(NC1=O)cccc3)C(C(OCCOC)=O)=C(C)OC(N)=C2C(=O)OC(C)C,0.0
4608,CO-ADD:0245449,17.69,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5)F,0.0
4609,CO-ADD:0241716,17.69,C1(C#N)(C#N)[C@H](c2cccc(Br)c2)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5ccc(cc5)OC,0.0
4610,CO-ADD:0241132,17.69,N1(c2c(OC1=S)cccc2)CNc3c(cccn3)C,0.0
4611,CO-ADD:0245446,17.69,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc(c56)OCO5)c6,0.0
4612,CO-ADD:0245451,17.69,n(Cc1ccc(cc1Cl)Cl)(c2c(c3\C=N\Nc(nc(NCc4ccco4)nc5Nc(cc6)ccc6OC)n5)cccc2)c3,0.0
4613,CO-ADD:0244367,17.69,C(C1)(CN(C2)CN3CN12)(C3)\C(=N/N=C/c(ccc(c4OC)OC)c4)\c5ccc(c(Cl)c5)Cl,0.0
4614,CO-ADD:0244970,17.68,c1(c2ccc(cc2)Cl)nc(sc1c(cc3)ccc3[N+](=O)[O-])\N=C/c(ccc(c4OC)OC)c4,0.0
4615,CO-ADD:0242031,17.68,N1(C(=O)c(c2C1=O)ccc(c2)C(=O)Nc(cccc3C(=O)c4ccc(c(C)c4)C)c3)N5C(=O)c6c(cccc6)C5=O,0.0
4616,CO-ADD:0242246,17.68,C(=C/c(ccc(c1OC)OC)c1)(/C2=O)\C(=O)c(c23)cccc3,0.0
4617,CO-ADD:0242430,17.68,C(C(=O)c1ccc(cc1)OC)(C2c3ccccc3)=C(O)C(N2c(cc4)ccc4C(OCC)=O)=O,0.0
4618,CO-ADD:0242530,17.68,N(\C(=C/c1cccc(c1)OCc2ccccc2)\C(O3)=O)=C3c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
4619,CO-ADD:0242089,17.68,c1(nonc1N)N(Cc2c(C)ccc(cccc3)c23)N=Nc4nonc4N,0.0
4620,CO-ADD:0240124,17.68,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(O)(c2ccc(cc2)C)c3ccc(cc3)C,0.0
4621,CO-ADD:0245087,17.68,C(=O)(C(NCCOC)=O)Nc1ccc(cc1C)C,0.0
4622,CO-ADD:0245771,17.68,n1c(ccnc1c2ccc(cc2)NC(=O)\C=C\c3ccccc3)c4ccc(cc4)NC(=O)\C=C\c5ccccc5,0.0
4623,CO-ADD:0245102,17.68,c1(SCC(=O)Nc(cc2)ccc2CC)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
4624,CO-ADD:0245487,17.68,c1(C#N)c2c(sc1\N=C\c(ccc(c3)N(CC)CC)c3OC)CCCC2,0.0
4625,CO-ADD:0245023,17.68,c1(C(=O)Oc2ccc(cc2OC)\C=N\NC(=O)CC#N)c(Cl)c3c(cccc3)s1,0.0
4626,CO-ADD:0241093,17.68,N1(C(c(cc2)ccc2C(C)C)CC(c3ccc(cc3)F)=N1)c4scc(c(cc5)ccc5NS(=O)(=O)c6ccc(cc6)C)n4.Br,0.0
4627,CO-ADD:0241857,17.68,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3O)nc(Nc4ccc(cc4Br)C)n1,0.0
4628,CO-ADD:0242339,17.67,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c2cccc(Br)c2,0.0
4629,CO-ADD:0242338,17.67,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c2ccccc2F,0.0
4630,CO-ADD:0241472,17.67,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3Cl)nc(Nc(ccc(c4Cl)C)c4)n1.CC(=O)O,0.0
4631,CO-ADD:0242377,17.67,c(C(=O)Nc(cccc1C(F)(F)F)c1)(sc(c23)nc(cc2c4ccc(cc4)F)c5ccccc5)c3N,0.0
4632,CO-ADD:0241945,17.67,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccc(cc2)F)=O)c3cccs3,0.0
4633,CO-ADD:0242121,17.67,c1(scc(c2ccccc2)n1)NC(CSc3oc(c4n3)cccc4)=O,0.0
4634,CO-ADD:0240367,17.67,N1C(Cc2ccccc2)=NNC1=S,0.0
4635,CO-ADD:0242419,17.67,c1(N\N=C\c(cc(Br)c(c2Br)O)c2O)sc(c3n1)cccc3,0.0
4636,CO-ADD:0241267,17.67,C(=N\c(cc1)ccc1C#N)(/C2=O)\c3c(N2)ccc(C)c3Br,0.0
4637,CO-ADD:0241838,17.67,c1(N(C)C)nc(N\N=C\c2ccccc2F)nc(NCc3ccccc3)n1.Cl,0.0
4638,CO-ADD:0242551,17.66,N1(c2ccccc2OC)C(=O)NC(\C(=C/c(ccc(c3Br)OC)c3)\C1=O)=O,0.0
4639,CO-ADD:0240677,17.66,C(c1ccccc1)(=O)N\N=C\C=N\NC(c2ccccc2)=O,0.0
4640,CO-ADD:0241182,17.66,N1(c2cccc(OC(C)=O)c2)C(=O)c(c3C1=O)ccc(c3)c4oc(c5n4)cccc5,0.0
4641,CO-ADD:0244621,17.66,C(=O)(C(CC)(CC)O)NNc1ccccc1C,0.0
4642,CO-ADD:0240230,17.66,n(c(c1)c2ccc1C(=O)N(CC)CC)c(c3ccccc3)c(n2)c4ccccc4,0.0
4643,CO-ADD:0240466,17.66,N1(C(=O)c2c(C(C)=N1)cccc2)c3cc(ccc3[N+](=O)[O-])N(CC4)CCO4,0.0
4644,CO-ADD:0242085,17.66,N1(c2ccc(c(Cl)c2)C)C(=O)C(C(C(C34)C(=C5c6ccccc6)C(C=C3)C(C4C7=O)C(N7c8ccc(c(Cl)c8)C)=O)C1=O)C5,0.0
4645,CO-ADD:0244678,17.66,C(#CCN(CC)c1ccccc1)C#CCN(CC)c2ccccc2,0.0
4646,CO-ADD:0244270,17.66,[N+](=O)([O-])c1ccccc1C(=O)N\N=C\c2c3c(cccc3)cc(cccc4)c24,0.0
4647,CO-ADD:0245665,17.66,C(C#N)(C1c2ccc(cc2)Cl)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,0.0
4648,CO-ADD:0244952,17.66,P(O)(CCc(ccc(n1)C)c1)(=O)CN2CCCCC2,0.0
4649,CO-ADD:0244404,17.66,[nH]1c(cccc2)c2c3c1CCCC3,0.0
4650,CO-ADD:0244943,17.66,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
4651,CO-ADD:0241932,17.66,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccc(cc2)Br)=O)c3cccs3,0.0
4652,CO-ADD:0241917,17.65,c1(ccc(C(O)=O)o1)C(c2ccccc2)=O,0.0
4653,CO-ADD:0242396,17.65,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)\N=C\c(cccc4[N+](=O)[O-])c4)n1,0.0
4654,CO-ADD:0245644,17.65,n1(c2c(nn1)cccc2)S(=O)(=O)c(ccc(c34)C(=O)c(c5C3=O)cccc5)c4,0.0
4655,CO-ADD:0241509,17.65,C12(CC(CC(C3)C1)CC3C2)C(=O)N\N=C(/C)\CC(NCCC)=O,0.0
4656,CO-ADD:0244541,17.65,C(c1ccccc1)(=O)NC(Cc(cc2)ccc2O)C(OC)=O,0.0
4657,CO-ADD:0242036,17.65,S(=O)(=O)(c(cccc1C(=O)Nc2nnc(CC)s2)c1)N(CC3)CCO3,0.0
4658,CO-ADD:0240248,17.65,[N+](=O)([O-])c1ccc(cc1)Oc(cc2)ccc2c3ccc(cc3)Oc(cc4)ccc4[N+](=O)[O-],0.0
4659,CO-ADD:0240743,17.65,C(=O)(Nc(cc1)ccc1OC)\C=C\C(=O)Nc(cc2)ccc2OC,0.0
4660,CO-ADD:0245021,17.65,c1(C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3OC)c(Cl)c4c(cccc4)s1,0.0
4661,CO-ADD:0241413,17.65,C(/CC1C)(=N/OC(c2ccccc2)=O)\c3c(C1)cc(O)cc3,0.0
4662,CO-ADD:0242108,17.65,N(c1cccc(C)c1)(C(=O)C(C23)C4OC2C=C4)C3=O,0.0
4663,CO-ADD:0244829,17.65,C(C)N(C(=O)N1CC)C(C1N2)N3C(S\C(=C(/C4=O)\c5c(cccc5)N4C(C)C)\C3=O)=N2,0.0
4664,CO-ADD:0245015,17.65,c1(ccc(cc1OC)SC)C(NCCOc2ccccc2C)=O,0.0
4665,CO-ADD:0245017,17.65,N1(CC(=O)NC2CCCCC2)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
4666,CO-ADD:0245668,17.65,S(C)(=O)(=O)N(c1ccc(cc1)C)CC(=O)N\N=C\c(cc2)ccc2OCC(OC)=O,0.0
4667,CO-ADD:0242739,17.65,[N+](=O)([O-])c1cccc(C(=O)COC(=O)c2cccc(I)c2)c1,0.0
4668,CO-ADD:0244170,17.64,C(=O)(Nc(cc1)ccc1C(N)=O)c2ccccc2C(O)=O,0.0
4669,CO-ADD:0244930,17.64,C1(C2NC(=S)N1)N(c3ccccc3)C(=S)N2C,0.0
4670,CO-ADD:0244937,17.64,n(nnc1C(=O)N\N=C\c2ccccn2)(c1COC)c3nonc3N,0.0
4671,CO-ADD:0245061,17.64,c1(C(OCC)=O)[nH]c(c(C(CCCCCBr)=O)c1C)C,0.0
4672,CO-ADD:0244333,17.63,n12c(cc(c3ccc(cc3)Br)n1)nc(C)c(CC)c2O,0.0
4673,CO-ADD:0244239,17.63,C1(=NNC(=S)N1CC=C)c2c3c([nH]c2)cccc3,0.0
4674,CO-ADD:0245842,17.63,c12c(ccc(OC)c1OC)C(OC2=O)Nc3scc(c4ccccc4)n3,0.0
4675,CO-ADD:0240418,17.62,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(O)(c2ccccc2)c3ccccc3,0.0
4676,CO-ADD:0240962,17.62,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NNC(c(cc2)ccn2)=O,0.0
4677,CO-ADD:0240624,17.62,N1(c2ccccc2OC)C(=O)NC(\C(=C/c(ccc(c3[N+](=O)[O-])OC)c3)\C1=O)=O,0.0
4678,CO-ADD:0240706,17.62,c(c(ccc1[N+](=O)[O-])C(C2=O)=O)(c2ccc3[N+](=O)[O-])c13,0.0
4679,CO-ADD:0240774,17.62,c1(N(CC)CC)nc(N\N=C\c(cc(Br)cc2Br)c2OC)nc(Nc(ccc(c3Cl)C)c3)n1,0.0
4680,CO-ADD:0244741,17.62,N(C1=O)=C(N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-])NN=C1Cc(ccc(c3OC)OC)c3,0.0
4681,CO-ADD:0240492,17.62,N1\C(=N/C(COc2ccccc2)C(C)(C)C)\C3(N(CC#N)C1=S)CCCCC3,0.0
4682,CO-ADD:0241900,17.62,C(=C\c(ccc1c(cc2)c(OC)cc2[N+](=O)[O-])o1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
4683,CO-ADD:0242102,17.62,n1c2c([nH]c1\C=C\c3[nH]c(c4n3)cccc4)cccc2,0.0
4684,CO-ADD:0244392,17.62,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c6ccccc6Cl)C(C)=O,0.0
4685,CO-ADD:0242269,17.61,c1(Nc(cccc2C(F)(F)F)c2)nc(N\N=C\c(c(O)ccc3[N+](=O)[O-])c3)nc(NC)n1.Cl,0.0
4686,CO-ADD:0242550,17.61,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(c(cccc3)c3n4C)c4)\C1=O)=O,0.0
4687,CO-ADD:0242777,17.61,N(CCNc1cccc(CC)c1)c2cccc(CC)c2,0.0
4688,CO-ADD:0245279,17.61,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
4689,CO-ADD:0241679,17.61,c1(C#N)c(SCC(=O)Nc2ccc(cc2C)I)nsc1SCC(=O)Nc3ccc(cc3C)I,0.0
4690,CO-ADD:0242836,17.61,n1c(c2ccc(cc2)NC(c3ccccc3)=O)csc1Nc4ccccc4OC,0.0
4691,CO-ADD:0246107,17.61,C(=C/Nc1cccc(Cl)c1C)(/C2=O)\C(C(F)(F)F)=NN2c(cc3)ccc3[N+](=O)[O-],0.0
4692,CO-ADD:0240515,17.61,C(F)(F)(C(CC1=O)=Nc2c(N1)cccc2)C(F)(F)C(F)(F)F,0.0
4693,CO-ADD:0244918,17.61,C1(C2N(CC(=O)O)C(=O)N1)N(c3ccccc3)C(=O)N2C,0.0
4694,CO-ADD:0241329,17.61,N1\C(=N/C(COc2ccccc2)C(C)(C)C)\C(N(Cc3ccccc3)C1=S)(C)C,0.0
4695,CO-ADD:0242705,17.61,c(cc(C)cc1)(c2c(C3=O)cccc2)c13,0.0
4696,CO-ADD:0245363,17.6,n1(Cc2cccc(Cl)c2)c(N)cc(c3ccc(cc3)Br)n1,0.0
4697,CO-ADD:0245034,17.6,C(=N\c1ccccc1Cl)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4ccccc4[N+](=O)[O-])c3)\N2,0.0
4698,CO-ADD:0245008,17.6,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c(cc4)ccc4[N+](=O)[O-],0.0
4699,CO-ADD:0241225,17.6,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4)ccc4OCc5ccccc5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
4700,CO-ADD:0241887,17.6,C(=C\c(ccc1c2ccc(cc2Cl)[N+](=O)[O-])o1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
4701,CO-ADD:0240459,17.6,N1(CCc2ccccc2)C(=O)CC(N(CC3)CCN3c4cccc(Cl)c4)C1=O,0.0
4702,CO-ADD:0244724,17.59,[N+](=O)([O-])c1ccc(c(OCCO)c1)OCCO,0.0
4703,CO-ADD:0244468,17.59,C(=O)(c(cc1)ccc1C2CCCCC2)Nc3ccccc3Oc4ccccc4,0.0
4704,CO-ADD:0244609,17.59,C1(C([H])(CCCCCC)C2=C(C)N(N(c3ccccc3)C2=O)C)=C(C)N(N(c4ccccc4)C1=O)C,0.0
4705,CO-ADD:0242680,17.59,S(=O)(=O)(N1CCC(CC1)C)c2ccc(c(cccc3)c23)OCC,0.0
4706,CO-ADD:0245273,17.58,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
4707,CO-ADD:0241066,17.58,[N+](=O)([O-])c(cccc1c2ccc(\C=N\c(ccc(c3C)C)c3)o2)c1,0.0
4708,CO-ADD:0241210,17.58,N1(c2cccc(Cl)c2C)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(cccn4)c4,0.0
4709,CO-ADD:0241080,17.58,[N+](=O)([O-])c1ccccc1c2ccc(\C=N\NC(c(cc3)ccn3)=O)o2,0.0
4710,CO-ADD:0241202,17.58,N(c1cc(C)ccc1C)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
4711,CO-ADD:0245863,17.58,C(=C/Nc1cccc(N)n1)(/C(=O)C2)\C(=O)CC2(C)C,0.0
4712,CO-ADD:0246149,17.58,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(cc3)ccc3Br)\N2c4ccccc4,0.0
4713,CO-ADD:0242897,17.58,C(C(OCC)=O)(=C(C)NC(=C1C(OCC)=O)C)C1c(cc2)ccc2[N+](=O)[O-],0.0
4714,CO-ADD:0245565,17.58,n1c(c2ccc(cc2)I)csc1Nc(cc3)ccc3I.Br,0.0
4715,CO-ADD:0242838,17.57,c(sc(c1c2ccc(cc2)Cl)c(cc3)ccc3[N+](=O)[O-])(NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
4716,CO-ADD:0240291,17.57,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)Nc(cc3)ccc3F,0.0
4717,CO-ADD:0240143,17.57,c1(\N=C\c(cc2)cc(c2OC(C)=O)OC)c(c3ccc(c(OC)c3)O)nc(cccc4)n14,0.0
4718,CO-ADD:0242192,17.57,N1=C(N\N=C\c(cc2)ccc2OC(=O)c3cccc(Br)c3)SCC1=O,0.0
4719,CO-ADD:0240944,17.57,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3)c(cc4OC)cc(c4OC)OC,0.0
4720,CO-ADD:0240718,17.57,N1(c(cc2)ccc2C(O)=O)C(=O)c3c(cc(cc3)Br)C1=O,0.0
4721,CO-ADD:0240156,17.57,N1(CNc2c(Cl)ccc(Cl)c2)C(=O)\C(\SC1=O)=C\c3cccc(Cl)c3,0.0
4722,CO-ADD:0241664,17.56,N12C(S\C(=C/c(ccs3)c3)\C1=O)=C(C(c(ccs4)c4)C(C(OCC)=O)=C2N)C#N,0.0
4723,CO-ADD:0240439,17.56,N1(\N=C\c(ccc2c3c(Cl)ccc(c3)[N+](=O)[O-])o2)C(=O)C4C(C5C=CC4CC5)C1=O,0.0
4724,CO-ADD:0240332,17.56,c1(C2c3ccc(cc3)OCC)c(CCN2C(=O)c4cccc(Br)c4)c5c(cccc5)[nH]1,0.0
4725,CO-ADD:0240904,17.56,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3cccc(C)n3,0.0
4726,CO-ADD:0240158,17.56,C(=N/O)(/Nc1c(Cl)ccc(Cl)c1)\C(=N\O)\Nc2c(Cl)ccc(Cl)c2,0.0
4727,CO-ADD:0242749,17.56,C1(=Cc(c2)c(OC1=O)ccc2[N+](=O)[O-])C(=O)Nc3ccccc3C,0.0
4728,CO-ADD:0245804,17.56,n1(CC=C)c(SCC(=O)Nc(cccc2C(F)(F)F)c2)nnc1c3ccc(cc3)OC,0.0
4729,CO-ADD:0242961,17.56,C(Cl)(Cl)(Cl)C(CC(C)=C)OC(CCC(=O)OC1CCCCCCCCCCC1)=O,0.0
4730,CO-ADD:0245348,17.56,N1(c2ccccc2)C(=O)\C(\SC1=S)=C/c(c(Cl)ccc3[N+](=O)[O-])c3,0.0
4731,CO-ADD:0242951,17.56,[N+](=O)([O-])c(cc(Oc1ccccc1)cc2NC(=O)c3ccc(cc3)OC)c2,0.0
4732,CO-ADD:0246156,17.56,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3Br)cc(c3O)Br,0.0
4733,CO-ADD:0241706,17.56,n1c(ccc(C#N)c1SCC#C)c2cccs2,0.0
4734,CO-ADD:0241248,17.56,c1(cc(Br)ccc1NC(=O)c2cccs2)C(O)=O,0.0
4735,CO-ADD:0241099,17.55,c1(nonc1N)\C(=N\OCC(=O)NC(c2ccccc2)c3ccccc3)\Nc(cc4)ccc4C,0.0
4736,CO-ADD:0240568,17.55,n1(c2ccccc2)c(SCC(=O)Nc(cc3)ccc3C(C)C)nnc1c4cccc(Br)c4,0.0
4737,CO-ADD:0240550,17.55,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)OC)=C(O)C(N2c4ccccc4C)=O,0.0
4738,CO-ADD:0245560,17.55,C(=O)(NC1CC(CC12)CC2)c3c(cccc3Cl)Cl,0.0
4739,CO-ADD:0240883,17.55,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)oc(c3n1)cccc3,0.0
4740,CO-ADD:0240675,17.55,C(C(c1ccccc1)Nc2ccccc2)C(c3ccccc3)=O,0.0
4741,CO-ADD:0240668,17.55,n([C@H]1C(=O)C=C(C[C@@H]1c2cccs2)\C=C\c3cccs3)(nnc4[N+](=O)[O-])n4,0.0
4742,CO-ADD:0240209,17.55,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c4ccccc4Cl)\C1=O,0.0
4743,CO-ADD:0240409,17.55,C(C#N)(C1c(cccc2[N+](=O)[O-])c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
4744,CO-ADD:0240619,17.55,C(=N\c1cccc(cccc2)c12)(/N3c4ccc(cc4)Br)\SC(=N3)C(C)=O,0.0
4745,CO-ADD:0240178,17.55,N1(Cc(cc2)ccc2S(=O)(=O)Nc3ccc(cn3)Cl)C(=O)c4c(cccc4)C1=O,0.0
4746,CO-ADD:0240349,17.54,N(CCCC(=O)c1ccc(cc1)F)(CC2)CCN2C.Cl.Cl,0.0
4747,CO-ADD:0242692,17.54,c1(C#N)c(Cl)nc(c(N)c1COC)C,0.0
4748,CO-ADD:0240926,17.54,N1(C(=O)c2ccc(cc2)N)C(O)(c3ccc(cc3)Br)CC(C(F)(F)F)=N1,0.0
4749,CO-ADD:0240901,17.54,C(F)(F)(F)c1ccccc1N\N=C(/C#N)\C#N,0.0
4750,CO-ADD:0244579,17.54,N1(c2cccc(C(C)=O)c2)C(=O)c(c3C1=O)ccc(C(=O)c(ccc(c4C5=O)C(N5c6cccc(C(C)=O)c6)=O)c4)c3,0.0
4751,CO-ADD:0245791,17.54,N1(c2ccc(c(Cl)c2)Cl)C(=O)CC(N(C)Cc3ccccc3)C1=O,0.0
4752,CO-ADD:0244677,17.54,[N+](=O)([O-])c1ccccc1C(=O)NNC(CCCCCCCC)=O,0.0
4753,CO-ADD:0242691,17.54,n1c(cc(C)cc2C)c2oc1c3cccc(c3)\N=C\c4cccc(C)c4O,0.0
4754,CO-ADD:0242671,17.54,N1(c2ccc(c(Cl)c2)Cl)C(=O)C3C(CC(=C(C)C3)C)C1=O,0.0
4755,CO-ADD:0242930,17.54,C(/C#N)(=C/C=C(/C=C1)\C=CN1Cc2ccccc2)\C(OCC)=O,0.0
4756,CO-ADD:0242941,17.54,c1(ccccc1OCCC)C(=O)N\N=C(/CC)\CNC(c2ccccc2)=O,0.0
4757,CO-ADD:0242965,17.54,n1n(CCCCC(Cl)(Cl)Cl)c2c(cccc2)n1,0.0
4758,CO-ADD:0241028,17.54,C(C#N)(C1c2ccc(cc2)Br)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
4759,CO-ADD:0245040,17.53,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc(c2OC)OCC(OCC)=O)c2,0.0
4760,CO-ADD:0244905,17.53,C1(C2NC(=S)N1)N(C(C)(C)C)C(=O)N2,0.0
4761,CO-ADD:0245929,17.53,C1(C(C1)CCCCCCCC)C(=O)Nc(cc2)ccc2C(=O)N(CC)c3ccccc3,0.0
4762,CO-ADD:0240359,17.53,C1(C2=O)C(NN=C1C(OC)=O)C(N2c3ccc(cc3)OCC)=O,0.0
4763,CO-ADD:0240687,17.53,c1(ccc(cc1)CNc(cc2)ccc2C)N(C)C.Cl.Cl,0.0
4764,CO-ADD:0244720,17.53,N(/NC(Cc1ccccc1)=O)=C/C(/Br)=C/c2ccccc2,0.0
4765,CO-ADD:0244771,17.53,c1(C(C)=O)c2c(oc1C)ccc(OCCN3CCCCC3)c2.Cl,0.0
4766,CO-ADD:0244507,17.53,[N+](=O)([O-])c(cccc1C(=O)Nc(cc2)ccc2NC(=O)c3ccc(cc3)F)c1,0.0
4767,CO-ADD:0244769,17.52,C1(CC2CC(C1)CC3(C2)C(=O)Nc(cc(Oc4ccc(cc4Cl)Cl)cc5[N+](=O)[O-])c5)(C3)n(c6)nc(n6)Cl,0.0
4768,CO-ADD:0242370,17.52,c1(oc(c2n1)cccc2)NC(CSc3nc(c4cccc(OC)c4)cc(c5ccccc5)c3C#N)=O,0.0
4769,CO-ADD:0242688,17.52,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c(ccc2c(ccc(c3Cl)OC)c3)o2,0.0
4770,CO-ADD:0245429,17.52,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(cc3)ccc3C(C)C)nc(NCc4ccco4)n1.Cl,0.0
4771,CO-ADD:0245436,17.52,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)ccc5C(C)(C)C,0.0
4772,CO-ADD:0244940,17.52,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N/NC(=O)c3cccc(F)c3,0.0
4773,CO-ADD:0245815,17.52,N(C(=O)\C(\S1)=C/c(cc2)ccc2N(C)C)=C1N3CCC(CC3)C,0.0
4774,CO-ADD:0245018,17.52,s1c(c(cc2)ccc2[N+](=O)[O-])nnc1NC(=O)CN3CCCCC3,0.0
4775,CO-ADD:0244368,17.52,c1(CC2(C)C)c(ccc(cccc3)c13)C=N2,0.0
4776,CO-ADD:0242293,17.52,C1(=O)N(C)c2c(cc(cc2)\C=C(/C#N)\c3[nH]c(c4n3)cccc4)N1C.Cl,0.0
4777,CO-ADD:0242306,17.51,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3ccccc3[N+](=O)[O-].Cl,0.0
4778,CO-ADD:0241137,17.51,S(c1ccccc1)(=O)(=O)N(CC(NC)=O)c2cccc(Cl)c2Cl,0.0
4779,CO-ADD:0246034,17.51,N1(C2c3ccccc3)C(S\C(=C\c(ccc4c5ccc(cc5)I)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
4780,CO-ADD:0244758,17.51,s1c(N)nnc1SCC(NCCCCCCNC(CSc2nnc(N)s2)=O)=O,0.0
4781,CO-ADD:0240118,17.51,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)C(O)(c2ccc(cc2)Cl)c3ccc(cc3)Cl,0.0
4782,CO-ADD:0240411,17.51,C(C#N)(C1c2scc(Br)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
4783,CO-ADD:0240618,17.51,N1(CCCC1=O)c(cc2)ccc2C(=O)N\N=C\CCC,0.0
4784,CO-ADD:0240700,17.51,C(c(cc1)ccn1)(=O)N\N=C\c2cccc(Br)c2,0.0
4785,CO-ADD:0240389,17.51,c1(c[nH]nc1C(=O)N\N=C(/C)\Cn2c3c(nn2)cccc3)[N+](=O)[O-],0.0
4786,CO-ADD:0245059,17.5,n(c1C)(nnc1C(=O)N\N=C\c2cc(Br)ccc2F)c3nonc3N,0.0
4787,CO-ADD:0241529,17.5,c1(sc2c(ccc(c2)NC(=O)C(C)=C)n1)c3cc(ccc3O)NC(=O)C(C)=C,0.0
4788,CO-ADD:0240565,17.5,c1(N(CC)N=Nc2nonc2N)nonc1N,0.0
4789,CO-ADD:0241495,17.5,[N+](=O)([O-])c(cccc1C(=O)N\N=C(/C)\CC(=O)NCc2ccccc2OC)c1,0.0
4790,CO-ADD:0240501,17.5,C1(C2=O)C(NN=C1C(OC)=O)C(N2c3ccc(cc3)OC)=O,0.0
4791,CO-ADD:0241850,17.5,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c3ccccc3Cl)n1,0.0
4792,CO-ADD:0241436,17.5,c1(N(CC)CC)nc(N\N=C\c2cccc(cccc3)c23)nc(Nc(ccc(c4Cl)C)c4)n1.Cl,0.0
4793,CO-ADD:0242425,17.5,C(COc(cc1)ccc1OC)(=O)N\N=C(/C)\CC(=O)NCc2ccccc2OC,0.0
4794,CO-ADD:0244853,17.5,C(N(C)C(=O)N1C)(C1N2)N=C3N2C(=O)\C(=C\c(cc([N+](=O)[O-])cc4)c4)\S3,0.0
4795,CO-ADD:0240339,17.5,c(cc(C(C)(C)C)cc1c2cccs2)(c1)c3cccs3,0.0
4796,CO-ADD:0245824,17.49,C(=C/c(ccc(c1OCC)OCc(cc2)ccc2[N+](=O)[O-])c1)(/C3=O)\Sc(c34)cccc4,0.0
4797,CO-ADD:0242118,17.49,s1c(CCCCCc2nnc(N)s2)nnc1N,0.0
4798,CO-ADD:0244796,17.49,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n1,0.0
4799,CO-ADD:0240296,17.49,N1(c2ccc(cc2)F)C(=O)CC(N3CCC(CC3)Cc4ccccc4)C1=O,0.0
4800,CO-ADD:0240490,17.49,C(/C(=O)C1)(\C(=O)CC1(C)C)=C(/N2)\c3c(CC2(C)C)cc(C)c(C)c3,0.0
4801,CO-ADD:0242557,17.49,N1(c2ccccc2)C(=O)NC(\C(=C/c(c(cccc3)c3n4C(C)=O)c4)\C1=O)=O,0.0
4802,CO-ADD:0240632,17.49,c1(c2c(cccc2)c(c34)cccc3)c4nc(ccc5C(=O)Nc(ccc(c6C)C)c6)c(c5)n1,0.0
4803,CO-ADD:0241602,17.49,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(cc4Cl)cc(c4OC(C)=O)Cl,0.0
4804,CO-ADD:0245415,17.49,c12c(non1)nc(Nc(cc3)ccc3F)c(N\N=C\c(ccc(c4[N+](=O)[O-])N(C)C)c4)n2,0.0
4805,CO-ADD:0240422,17.49,n(c1C)(nnc1C(=O)N\N=C(/C)\c(ccc(c2F)F)c2)c3nonc3N,0.0
4806,CO-ADD:0241662,17.48,N12C(S\C(=C/c3ccc(cc3Cl)Cl)\C1=O)=C(C(c4ccc(cc4Cl)Cl)C(C(OCC)=O)=C2N)C#N,0.0
4807,CO-ADD:0241091,17.48,N1(C(c(cc2)ccc2C(C)C)CC(c3ccc(cc3)F)=N1)c4scc(c(cc5)ccc5[N+](=O)[O-])n4.Br,0.0
4808,CO-ADD:0242835,17.48,N(CN(CN1CN2S(=O)(=O)c(cc3)ccc3[N+](=O)[O-])C2)(C1)S(=O)(=O)c(cc4)ccc4[N+](=O)[O-],0.0
4809,CO-ADD:0242983,17.48,[N+](=O)([O-])c1cccnc1NC(C2)(CC3CC2CC4C3)C4,0.0
4810,CO-ADD:0241292,17.48,C1(=S)N(c2cccc(c2)C(O)=O)C3(\C(=N\c4cccc(C)c4)\N1)CCCCC3,0.0
4811,CO-ADD:0241312,17.48,N(=C\c(cc1)ccc1OC(C2)CS2)/c3ccc(cc3Cl)Cl,0.0
4812,CO-ADD:0241047,17.48,N1(c2cccc(Cl)c2C)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(ccs4)c4,0.0
4813,CO-ADD:0241002,17.48,N1(c2cc(Cl)cc(Cl)c2)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Cl,0.0
4814,CO-ADD:0241016,17.48,S(=O)(=O)(c(cc1)ccc1N2C(=O)CCC2=O)N(CCC)Cc3ccccc3,0.0
4815,CO-ADD:0245860,17.48,C1(C(=O)NNC(CCCCCCC)=O)C(C1C)CCCC,0.0
4816,CO-ADD:0242137,17.47,c1(NC(=O)c2ccc(cc2)NC(=O)C(F)(F)F)sc(c3c1C(N)=O)CCCC3,0.0
4817,CO-ADD:0241780,17.47,C1(C#N)(C#N)[C@H](c2cccc(Br)c2)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C(C)(C)C,0.0
4818,CO-ADD:0246068,17.47,C(F)(F)(F)C(=O)NC(c1ccc(cc1)OC)CC(=O)NCc2ccco2,0.0
4819,CO-ADD:0241579,17.47,c1(ccc(C(=O)NC2CCCCC2)o1)C(c3ccccc3)=O,0.0
4820,CO-ADD:0245976,17.47,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(cc3OC)cc(c3OCC#C)I)nc(NCc4ccco4)n1,0.0
4821,CO-ADD:0245950,17.47,n1c(N2CCC(CC2)Cc3ccccc3)c(Nc4cccc(C)c4C)nc(non5)c15,0.0
4822,CO-ADD:0245818,17.47,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4O,0.0
4823,CO-ADD:0245465,17.47,c1(C(=O)N\N=C\c(ccc(c2OC)OCc3ccc(cc3Cl)Cl)c2)nonc1N,0.0
4824,CO-ADD:0241816,17.47,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3)n1,0.0
4825,CO-ADD:0244202,17.46,N1(c2cc3c(cc2NC(C)=O)cccc3)C(=O)c(c4C1=O)ccc(C(O)=O)c4,0.0
4826,CO-ADD:0244147,17.46,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)Nc(cc3)ccc3OCC,0.0
4827,CO-ADD:0245585,17.46,c1(SCC(=O)N\N=C\c2ccccn2)sc(c3n1)cccc3,0.0
4828,CO-ADD:0244221,17.46,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
4829,CO-ADD:0244166,17.46,N1(\N=C\c2cccc(Cl)c2)C(=O)c(c3C1=O)cccc3,0.0
4830,CO-ADD:0242823,17.46,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CCCC4=O)=C14)c5ccc(cc5)OC,0.0
4831,CO-ADD:0242919,17.46,C(Cc(cc1)ccc1CC)(OC(CC)=O)(C(C)C2)CC(N2C)C.Cl,0.0
4832,CO-ADD:0245874,17.45,[N+](=O)([O-])c(cccc1C(NCCC#N)=O)c1,0.0
4833,CO-ADD:0242805,17.45,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccco3)OC,0.0
4834,CO-ADD:0242190,17.45,c12c(cc(c(OC(C)=O)c1C)C)Sc(c3C2=O)cccc3,0.0
4835,CO-ADD:0242127,17.45,c1(SCC(=O)Nc2cc(on2)C)sc(c3n1)cccc3,0.0
4836,CO-ADD:0244820,17.45,C(CCC)N(CN(C1=O)C(N23)C(N4C2=S)N1CN(CCCC)C4)C3,0.0
4837,CO-ADD:0244877,17.45,C(N(CC)C(=O)N1CC)(C1N2)N=C(SC3(C(c4ccc([N+](=O)[O-])cc4)CN(C)C3(c(cccc5)c5N6CC=C)C6=O)C7=O)N27,0.0
4838,CO-ADD:0242650,17.45,c1(scc(c2ccccc2)n1)NC(=O)C(CC(C)C)NC(=O)Oc3ccccc3,0.0
4839,CO-ADD:0244826,17.45,CN(C(=O)N1C)C(C1N2)N=C3N2C(=O)\C(=C(\C4=O)/c(cc5)c(cc5)N4CC)\S3,0.0
4840,CO-ADD:0244149,17.45,C(=O)(c1ccc(cc1)Cl)Nc2ccc(cn2)C,0.0
4841,CO-ADD:0242708,17.45,C(=C\c(cc1)ccc1OC)(/c(cccn2)c23)\c(cc(C)cc4)c34,0.0
4842,CO-ADD:0330775,17.45,c12c(c3c(OC1=O)cccc3)c4c(CCC(C)C4)nc2NC(CC)=O,0.0
4843,CO-ADD:0330793,17.45,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)N\N=C(/C)\C,0.0
4844,CO-ADD:0330963,17.45,N(C1c2cccs2)(C(=O)C(=C1C(=O)c3ccco3)O)c4nnn(C)n4,0.0
4845,CO-ADD:0330986,17.45,c1(cc(F)c(cc1Cl)F)C(=O)Nc(ccc(n2)OC)c2,0.0
4846,CO-ADD:0331377,17.45,C(F)(F)(Cl)Oc(cc1)ccc1NC(COc2ccccc2C#N)=O,0.0
4847,CO-ADD:0330875,17.44,c12n(nc(C)n1)c(C)nc3c2c4c(s3)CCCC4,0.0
4848,CO-ADD:0330908,17.44,C(Cl)(c1ccc(cc1)O)(C(OC)=O)C(F)(F)F,0.0
4849,CO-ADD:0331654,17.44,C1(SC(CC)C(=O)Nc2cc(on2)C)=N\C(\C(=O)N1c3ccccc3)=C\c4ccccc4,0.0
4850,CO-ADD:0332124,17.44,C1(=Cc(c2)c(OC1=O)ccc2[N+](=O)[O-])C(=O)N(CC3)CCN3c4cc(C)ccc4C,0.0
4851,CO-ADD:0331445,17.44,N1(c2ccc(cc2)C)Cc3c(Oc(cc(C#N)c(C#N)c4)c14)cccc3,0.0
4852,CO-ADD:0330948,17.44,c1(C#N)c(C)cc(nc1SCC(=O)Nc(cc2)ccc2C(C)=O)C,0.0
4853,CO-ADD:0332019,17.44,N(C(=O)c1cccs1)C(=O)Nc2cc([nH]n2)C,0.0
4854,CO-ADD:0332520,17.44,C1(N2CCc(c3C2)cccc3)=C(NC(C)=O)C(c(cccc4)c4C1=O)=O,0.0
4855,CO-ADD:0331623,17.44,S(=O)(=O)(NCC(C1)(CC(C2)CC3CC12)C3)c4ccc(c(cccc5)c45)OC,0.0
4856,CO-ADD:0332227,17.44,C1(C(OCCOC)=O)=C(C)NC(NC1c2ccc(Br)s2)=O,0.0
4857,CO-ADD:0330991,17.44,c1(C(F)(F)F)nc(c2n1CC(=O)Nc3ccccc3C(OC)=O)cccc2,0.0
4858,CO-ADD:0329980,17.44,C1(=O)Nc2c(Oc3c1ccc(c3)Sc(cc4)ccc4C)cccc2,0.0
4859,CO-ADD:0327717,17.44,N1(c2c(OC)ccc(OC)c2)C(=S)NN=C1c3ccc(c4n3)cccc4,0.0
4860,CO-ADD:0327868,17.43,[n+]1(ccc(c2c1)cccc2)Cc3c(cccc3Cl)Cl.[Br-],0.0
4861,CO-ADD:0327596,17.43,c1(C#N)c(C)c(C)c(nc1SCC(C)C)C,0.0
4862,CO-ADD:0327948,17.43,C(C(OC)=O)(c(c1)cc(c(O)c1C)C)(c(c2)cc(c(O)c2C)C)C(F)(F)F,0.0
4863,CO-ADD:0327964,17.43,C(=O)(Nc1ccccc1C(C)C)C(C(F)(F)F)C(F)(F)F,0.0
4864,CO-ADD:0327845,17.43,N1(O)C(C)(C)CC(CC1(C)C)NC(=O)C(F)(F)F,0.0
4865,CO-ADD:0326100,17.43,n1(nc(n2)CC(OCC)=O)c2NC(C)=C(Br)C1=O,0.0
4866,CO-ADD:0326509,17.43,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4cccc(Cl)c4,0.0
4867,CO-ADD:0326391,17.43,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Oc4ccccc4N,0.0
4868,CO-ADD:0327466,17.43,C(NCCCC(O)=O)(=O)c(ccc(c1Cl)Cl)c1,0.0
4869,CO-ADD:0328992,17.43,N1(C=Cc(c2C1C[N+](=O)[O-])cccc2)Cc3c(cccc3Cl)Cl,0.0
4870,CO-ADD:0329252,17.42,c(c1ccc(cc1)Cl)(nn2)nnc2c3ccc(cc3)Cl,0.0
4871,CO-ADD:0328028,17.42,C12(OC(C(C(N3c4c(Cl)ccc(c4)C(F)(F)F)=O)C1C3=O)c5ccccc5)C(=O)c6c(cccc6)C2=O,0.0
4872,CO-ADD:0326410,17.42,C(=C/c(ccc1c2cccc(F)c2)o1)(/C(=O)NN3c4ccccc4)\C3=O,0.0
4873,CO-ADD:0328356,17.42,n1(cnnn1)c2ccc(cc2OC)N,0.0
4874,CO-ADD:0328224,17.42,c1(c(C)c(cc(C(C)C)c1O)NS(c2ccccc2)(=O)=O)S(=O)(=O)c3ccc(cc3)Cl,0.0
4875,CO-ADD:0327865,17.42,S(=O)(=O)(Nc(ccc(c12)OCO1)c2)c3ccc(c(cccc4)c34)OC,0.0
4876,CO-ADD:0327601,17.42,c(NC(=O)C(C(F)(F)F)C(F)(F)F)(s1)c(C#N)c(c1C(=O)N2CCCCC2)C,0.0
4877,CO-ADD:0329764,17.42,C1(C(F)(F)F)(NC(=O)c(cccn2)c2)C(=O)N(C(=O)N1)CC(C)C,0.0
4878,CO-ADD:0328261,17.42,c1(c2C)c(C(=O)C=CC=C1OCC)c(n2Cc3ccco3)C,0.0
4879,CO-ADD:0330042,17.41,C(C(OC)=O)(C(F)(F)F)(C(C(C)=O)C(C)=O)NS(c1ccccc1)(=O)=O,0.0
4880,CO-ADD:0326608,17.41,c(SC(=O)c1cccs1)([nH]c(c2c3ccccc3)c4ccccc4)n2,0.0
4881,CO-ADD:0326609,17.41,c1(C(F)(F)F)nnc(SCC(=O)Nc2sc(c3c2C(OCC)=O)CCC3)n1N,0.0
4882,CO-ADD:0328970,17.41,N(c(cc1)ccc1C(OCC)=O)(C(c2ccc(c(OCC)c2)O)C=C3Nc(cc4)ccc4C(OCC)=O)C3=O,0.0
4883,CO-ADD:0329981,17.41,N1(C(=O)c2ccccc2OC)C(=S)N=C(C=CC(Cl)=C3)N13,0.0
4884,CO-ADD:0326779,17.41,c1(n2)c(C(N(C)C(=O)N1C)=O)n(c23)CCN3c4cccc(C)c4,0.0
4885,CO-ADD:0328807,17.41,C(c1ccccc1)(OC(CC)=O)(CC(C(C)(C)C)CN2C)C2C.Cl,0.0
4886,CO-ADD:0329382,17.41,N12C(S\C(=C/c(ccc3c(cc(C)c(c4[N+](=O)[O-])C)c4)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
4887,CO-ADD:0329735,17.41,c(CN(Cc1ccco1)S(C)(=O)=O)(c(C)[nH]c2C(OCC)=O)c2C,0.0
4888,CO-ADD:0329790,17.41,C1(C(OC)=O)=C(C)N(C(=O)NC1c2c(cccc2Cl)F)CC,0.0
4889,CO-ADD:0326781,17.41,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(Cl)c4)c5ccc(cc5)Cl,0.0
4890,CO-ADD:0330058,17.41,C(=O)(C(c1ccccc1)c2ccccc2)NC(c3ccc(c(OC)c3)OCC)CC(O)=O,0.0
4891,CO-ADD:0328148,17.41,S(=O)(=O)(N(CC1)CCC1C(=O)Nc2ccccc2C)c3ccc(c4c3cccn4)OC,0.0
4892,CO-ADD:0329721,17.4,c1(C(OCC)=O)c(C)c(c(C)[nH]1)CNCc2ccccc2,0.0
4893,CO-ADD:0329931,17.4,S(c1ccccc1)(=O)(=O)N(CC2)CCN2C(=O)c3ccc(cc3)C,0.0
4894,CO-ADD:0327383,17.4,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5ccccc5Cl)cccc4,0.0
4895,CO-ADD:0328573,17.4,c1(CS(=O)(=O)c2ccc(cc2)Cl)n(C)c3c(cccc3)c1C#N,0.0
4896,CO-ADD:0327747,17.4,C1(NCc2ccco2)(C(F)(F)F)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
4897,CO-ADD:0330049,17.39,c1(c2c(cccc2Cl)Cl)noc(C)c1C(=O)NC(C)COC,0.0
4898,CO-ADD:0328620,17.39,C1(C(OC)=O)(C2CC(C=C2)N1S(C)(=O)=O)C(F)(F)F,0.0
4899,CO-ADD:0328532,17.39,n1(nnc(C(OCC)=O)c1CSCc2c(C(OCC)=O)nnn2c3nonc3N)c4nonc4N,0.0
4900,CO-ADD:0327174,17.39,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(c(OCC)c3)O)=C(O)C(N2Cc4ccco4)=O,0.0
4901,CO-ADD:0326196,17.39,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc2c3ccc(cc3)OC(F)(F)F)o2,0.0
4902,CO-ADD:0328785,17.39,N12C(SC(C(F)(F)F)=N1)=NC(=O)\C(=C\c(cc3)ccc3OCc4ccccc4Cl)\C2=N,0.0
4903,CO-ADD:0328340,17.38,c1(scc(c2ccc(cc2Cl)Cl)n1)N(CC3)CCC3(C(N)=O)N4CCCCC4,0.0
4904,CO-ADD:0329832,17.38,C(=O)(NC(C)(C)Cc(ccc(c1Br)O)c1)CC(OCC)=O,0.0
4905,CO-ADD:0328621,17.38,c12c(CCCC1C(N)=O)c3c(ccc(Cl)c3)[nH]2,0.0
4906,CO-ADD:0328574,17.38,c1(C(N)=O)oc(c2c1NC(Cc(ccc(c3OCC)OCC)c3)=O)cccc2,0.0
4907,CO-ADD:0327832,17.38,c(C(OCC)=O)(cc(C#N)c(n1)SCC(=O)Nc(cc2)ccc2C(C)=O)c1O,0.0
4908,CO-ADD:0330057,17.37,C(=O)(c1ccc(c(Br)c1)C)NC(c2ccc(cc2)OC)CC(O)=O,0.0
4909,CO-ADD:0329160,17.37,S(=O)(=O)(c1c(C)cc(cc1C)C)Nc2nc(C)cc(C)n2,0.0
4910,CO-ADD:0329189,17.37,C1(C(=O)NC(N2CCc(ccc(c3OCC)OCC)c3)=O)=C2NC(=O)C1(NC(CC)=O)C(F)(F)F,0.0
4911,CO-ADD:0328188,17.37,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)c(C)cc(NC(=O)c3ccc(cc3)OC)c2C(C)C,0.0
4912,CO-ADD:0329276,17.37,C1(O)(C(F)(F)F)C(=O)Oc2c1ccc(c23)cccc3,0.0
4913,CO-ADD:0326446,17.37,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)NCC4CCCO4)n2,0.0
4914,CO-ADD:0326567,17.37,C(C(OC)=O)(Nc1ccc(cc1F)F)(C(F)(F)F)NC(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
4915,CO-ADD:0329293,17.37,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OC)OCCOc(cc4)ccc4Br)c3)\C1=N,0.0
4916,CO-ADD:0328213,17.37,S(c1ccccc1)(=O)(=O)c2c(O)c(C)cc(NS(c3ccccc3)(=O)=O)c2C,0.0
4917,CO-ADD:0329943,17.37,C1(CC(OC12CCCCC2)=O)C(=O)N(CCCC)CCCC,0.0
4918,CO-ADD:0329941,17.37,c1(ccc(CSCCC#N)o1)C(O)=O,0.0
4919,CO-ADD:0329248,17.37,N1(c2ccccc2)C(c3ccc(c(cc4)ccc4C(OCC)=O)o3)Nc(c5C1=O)cccc5,0.0
4920,CO-ADD:0329321,17.37,[N+]1(CCc(ccc(c2OC)OC)c2)=NO\C(=N\C(C)=O)\[C-]1[H],0.0
4921,CO-ADD:0327908,17.37,N(c1c(N2S(=O)(=O)c3cccs3)cccc1)(S(=O)(=O)c4cccs4)C2=O,0.0
4922,CO-ADD:0328742,17.36,n1(CC(=O)NC2(CCCCC2)C(=O)Nc(cc3)ccc3OC)nnnc1N,0.0
4923,CO-ADD:0326573,17.36,c1(c(cccn1)C)NCC(O)COc2ccccc2,0.0
4924,CO-ADD:0329353,17.36,N1(c2ccccc2C)C(=S)NN=C1c3cccs3,0.0
4925,CO-ADD:0327737,17.36,c1(cnc(c2c1OCCC)cccc2)c3ccc(c4n3)cccc4,0.0
4926,CO-ADD:0327265,17.36,n1(c2c(C)cccc2C)nnnc1C3(CCCC3)NC(C)(C)C#C,0.0
4927,CO-ADD:0329868,17.36,S(=O)(=O)(N(CCc1ccccc1)CC(=O)N2CCCCCC2)c3c(Cl)ccc(Cl)c3,0.0
4928,CO-ADD:0329158,17.36,n(c1c(s2)cccc1)(c(SCCOc3ccccc3OC)nn4)c24,0.0
4929,CO-ADD:0328310,17.36,C(C(=O)c1ccc(cc1)C)(C2c(cccn3)c3)=C(O)C(N2CCN(CC4)CCO4)=O,0.0
4930,CO-ADD:0328335,17.36,c1(cc(F)c(cc1Cl)F)C(=O)Nc(ccc(c2O3)OC3(C)CC)c2,0.0
4931,CO-ADD:0328192,17.36,c1(c(O)c(C)c(c(NC(=O)c2ccc(cc2)Cl)c1)C)S(=O)(=O)c3ccc(cc3)Cl,0.0
4932,CO-ADD:0326200,17.36,C1(C)(C(OCC)=O)C(Br)=C(C(=O)N1c2ccc(cc2)Br)O,0.0
4933,CO-ADD:0328259,17.36,c1(c2C)c(C(=O)C=CC=C1OCC)c(n2Cc(cc3)ccc3Cl)C,0.0
4934,CO-ADD:0327548,17.36,c(nn(c12)c(C)c(c(C)n1)C)(n2)S(=O)(=O)N3CCC(CC3)C,0.0
4935,CO-ADD:0327292,17.35,c1(nn(cn1)Cc2cc(C)ccc2OC)[N+](=O)[O-],0.0
4936,CO-ADD:0328686,17.35,S(=O)(=O)(c(ccc(c1C(=O)Nc2ccccc2)Cl)c1)N3CCC(C(CCCC4)C34)=O,0.0
4937,CO-ADD:0217197,17.35,N(=C(/CCC)\c1ccc(cc1)OCC)/NC(=O)c2ccc(cc2)Br,0.0
4938,CO-ADD:0217485,17.35,c1(oc(c2n1)ccc(c2)\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])OC)c4ccc(cc4Cl)F,0.0
4939,CO-ADD:0158200,17.35,O=S(N(C(C=C1Cl)=CC=C1C)CC(N/N=C/C2=CC(OCC)=C(OCCC)C=C2)=O)(C3=CC=CC=C3)=O,0.0
4940,CO-ADD:0158243,17.35,O=C1N=C(N2CCOCC2)S/C1=C\C3=CC=C(N(C)C)C=C3,0.0
4941,CO-ADD:0154542,17.35,CC(C=C1)=CC=C1/C=C(C#N)/C(C2=CC=CC=C2)=O,0.0
4942,CO-ADD:0154566,17.35,C1CNCCNCCNCCCN1,0.0
4943,CO-ADD:0154593,17.35,ClC1=NC2=CC(OC)=CC=C2C=C1C3C(C(CC(C)(C)C4)=O)=C4OC5=C3C(N)=C6C(CCC6)=N5,0.0
4944,CO-ADD:0154583,17.34,O=C(C(C#N)=C1C2=CC(OC)=CC=C2)OC3=C1C=CC4=C3C=CC=C4,0.0
4945,CO-ADD:0156551,17.34,Cl[Pt](N[C@@H]1C)(S(C)(C)=O)C2=C1C3=CC=CC=C3C=C2,0.0
4946,CO-ADD:0217198,17.34,N(=C(/CCC)\c1ccc(cc1)C)/NC(=O)c2ccc(cc2)Br,0.0
4947,CO-ADD:0217678,17.34,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(=O)c4cccc(Br)c4,0.0
4948,CO-ADD:0217294,17.34,c1(ccccc1NC(=O)c2ccco2)C(=O)N\N=C\c3c4c(cccc4)cc(cccc5)c35,0.0
4949,CO-ADD:0158004,17.34,[O-][N+](C(CNC(C)=O)(CN1CCOCC1)[N+]([O-])=O)=O,0.0
4950,CO-ADD:0158276,17.34,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC=C(C4=CC=CC([N+]([O-])=O)=C4)O3)=C(C)N1C,0.0
4951,CO-ADD:0158149,17.34,O=C(CSCC1=CC=C(C=C1)Cl)N/N=C/C2=CC=CC=C2OC,0.0
4952,CO-ADD:0157973,17.34,N#CC1=C(N)OC2=C(C(C=CC=C3)=C3C=C2)C1C4=CC=CC=C4,0.0
4953,CO-ADD:0158181,17.34,N#CC1=C(SCC2=CC=CC=N2)N=C(N)N=C1SC,0.0
4954,CO-ADD:0158261,17.33,[O-][N+](C1=CC=C(C(/C=N/NC(C2=CC=C(F)C=C2)=O)=C1)N3CCCCC3)=O,0.0
4955,CO-ADD:0158158,17.33,[O-][N+](C(C=C1)=CC=C1N/N=C/C2=C(OC)C=CC(OC)=C2)=O,0.0
4956,CO-ADD:0217103,17.33,C(/O)(\c1ccc(cc1)Cl)=C/C=N/c(cc2)ccc2C,0.0
4957,CO-ADD:0216911,17.33,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c3ccccc3C,0.0
4958,CO-ADD:0217543,17.33,C(=O)(Oc1ccccc1\C=N\NC(=O)c(c2)cc(cn2)Br)c3ccco3,0.0
4959,CO-ADD:0157937,17.33,O=C(N/N=C/C1=CC(OC)=C(OCC=C)C=C1)C(NCC(C)C)=O,0.0
4960,CO-ADD:0158209,17.33,N#CC1=C(/N=C/C2=CC=CC(OC)=C2)OC(C3=CC=C(Br)C=C3)=C1,0.0
4961,CO-ADD:0159660,17.33,O=S(C1=CC=CC(C2=CC3=NC=NC(N)=C3S2)=C1)(N)=O,0.0
4962,CO-ADD:0159670,17.32,COC(C(OC)=C1)=CC2=C1C3(CCN(CC4=CC=CC=C4)CC3)OCC2,0.0
4963,CO-ADD:0217674,17.32,C(=O)(Nc1c(C)cccc1C)C(=S)N(CC2)CCO2,0.0
4964,CO-ADD:0217666,17.32,c1(\C=N\NC(COc2ccccc2Br)=O)cc(Br)ccc1OCCC,0.0
4965,CO-ADD:0217638,17.32,c12c(cccn1)cccc2SCC(=O)OCC(=O)c3ccc(cc3)Br,0.0
4966,CO-ADD:0216894,17.32,C(CSCc1ccccc1C)(=O)N\N=C\c(ccc(c2OCC)OCc(cc3)ccc3Cl)c2,0.0
4967,CO-ADD:0217049,17.32,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)N\N=C(\C)/c4ccc(cc4)OCC,0.0
4968,CO-ADD:0216988,17.32,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c3ccc(cc3C)C,0.0
4969,CO-ADD:0217159,17.32,C(C(OCCOC)=O)(C1c(cc2)ccn2)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
4970,CO-ADD:0217000,17.32,C(CSCc1ccccc1C)(=O)N\N=C\c(cc2)ccc2Br,0.0
4971,CO-ADD:0217561,17.31,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(ccc3c4ccc(cc4)I)o3,0.0
4972,CO-ADD:0217265,17.31,c1(C#N)c(C)c(C)c(nc1SCc2ccccc2)C,0.0
4973,CO-ADD:0216818,17.31,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C(/C)\c2ccccc2,0.0
4974,CO-ADD:0216842,17.31,C(=O)(N(C(C)C)C(C)C)C\C(\C)=N\NC(=O)C(c1ccccc1)c2ccccc2,0.0
4975,CO-ADD:0217470,17.31,C(=N/c1cccc(C)c1)(/SCC2=O)\N2c3cccc(C)c3,0.0
4976,CO-ADD:0216860,17.31,n1(cnc(n2nnc(C3CC3)c2)c1)C(C)(C)C,0.0
4977,CO-ADD:0217260,17.31,C(=O)(N\N=C(/C)\CC(=O)NC(C)CC)C(=O)Nc1ccccc1OC,0.0
4978,CO-ADD:0215068,17.31,[N+](=O)([O-])c1c(ccc(OC)c1)N\C=C(/C(OCC)=O)\C(OCC)=O,0.0
4979,CO-ADD:0215213,17.3,c1(N(CC2)CCO2)nc(N\N=C\c(cc(Cl)cc3Br)c3O)nc(Nc4cc(C)ccc4C)n1,0.0
4980,CO-ADD:0215653,17.3,C(=O)(C(NCCc1ccccc1Cl)=O)Nc2ccccc2CC,0.0
4981,CO-ADD:0215005,17.3,C(=C/c(cc1)ccc1OC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc3c4ccc(OC)c3)c4,0.0
4982,CO-ADD:0217725,17.3,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(cc1OC)cc(c1OC)OC,0.0
4983,CO-ADD:0217749,17.3,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(cc1)ccc1OCCCC,0.0
4984,CO-ADD:0215650,17.3,C(=O)(N\N=C\c(cc1)ccc1C)C(=O)Nc2ccccc2CC,0.0
4985,CO-ADD:0215050,17.3,N1(c2ccc(cc2)C#C\C=C\c(cc3)ccc3N4C(=O)c(c5C4=O)ccc(c5)[N+](=O)[O-])C(=O)c(c6C1=O)ccc(c6)[N+](=O)[O-],0.0
4986,CO-ADD:0215006,17.3,C(=O)(OCC(=O)c1ccc(cc1)Cl)c(cccc2C(=O)OCC(=O)c3ccc(cc3)Cl)c2,0.0
4987,CO-ADD:0217734,17.3,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c1ccc(cc1O)O,0.0
4988,CO-ADD:0217758,17.3,C(=O)(N\N=C\c1cc(Br)ccc1OC)C(O)c2ccccc2,0.0
4989,CO-ADD:0215079,17.3,N1(c2ccc(cc2)OCC)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
4990,CO-ADD:0215176,17.3,c1(ccccc1C(=O)OCC(=O)c2ccc(cc2)Cl)C(=O)OCC(=O)c3ccc(cc3)Cl,0.0
4991,CO-ADD:0215200,17.3,c1(c(NCCCN(C)C)ccc(c1)[N+](=O)[O-])[N+](=O)[O-].Cl,0.0
4992,CO-ADD:0215216,17.3,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)nc(Nc(cccc4C(F)(F)F)c4)n1,0.0
4993,CO-ADD:0217211,17.3,C(F)(F)(COc1ccc(cc1NC(=O)c2ccc(cc2)C)C(F)(F)F)C(F)F,0.0
4994,CO-ADD:0215201,17.29,[N+](=O)([O-])c1ccc(cc1)NCCNCCO,0.0
4995,CO-ADD:0215364,17.29,C(C(=O)OC(C)C)(C1c2ccc(cc2)Cl)=C(CSc3nc(C)c(c(C)c3C#N)C)OC(N)=C1C#N,0.0
4996,CO-ADD:0215255,17.29,c1(C2=O)c(sc(CC(CC)CC3)c13)N=C(SCC(=O)Nc(cc4)ccc4Br)N2c5ccccc5,0.0
4997,CO-ADD:0215263,17.29,C(=O)(C(=O)NCc1ccco1)Nc2cccc(Cl)c2Cl,0.0
4998,CO-ADD:0215225,17.29,c1(non2)c2nc(Nc3cccc(Br)c3)c(N\N=C\c(ccc(c4[N+](=O)[O-])Br)c4)n1,0.0
4999,CO-ADD:0217435,17.29,c1(oc(c2n1)ccc(c2)\N=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3)c5cccc(Cl)c5Cl,0.0
5000,CO-ADD:0216863,17.29,C(=O)([C@H](Cc1c[nH]cn1)NC(C)=O)N(CCC2c(o3)c(C)cn3)CC2,0.0
5001,CO-ADD:0216895,17.29,c1(ccc(C(=O)Oc(cc2)ccc2\C=N\c3ccc(cc3C)C)o1)[N+](=O)[O-],0.0
5002,CO-ADD:0217592,17.28,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(COc4ccccc4C)=O,0.0
5003,CO-ADD:0215065,17.28,c1(SCc(cc2)ccc2[N+](=O)[O-])sc(c3n1)cccc3,0.0
5004,CO-ADD:0217624,17.28,n1c(c2ccc(cc2)C)c(cn1c3ccccc3)C=O,0.0
5005,CO-ADD:0217648,17.28,C(=O)(N\N=C\c(ccc(c12)OCO1)c2)C(C)Oc3cccc(cccn4)c34,0.0
5006,CO-ADD:0217408,17.28,[N+](=O)([O-])c1c(ccc(Cl)c1)NCC(C)O,0.0
5007,CO-ADD:0217424,17.28,n1(CC)c2c(c(cc(cc3)\C=N\c(cc4)ccc4C)c13)cccc2,0.0
5008,CO-ADD:0217456,17.28,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)Oc(cccc2NC(=O)c3cccc(OC)c3)c2)Cl)c1,0.0
5009,CO-ADD:0216821,17.28,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C(/C)\c2cccc(c2)NC(C)=O,0.0
5010,CO-ADD:0217136,17.28,C12(c3c(NC1=O)cccc3)C(C(OCC)=O)=C(C)OC(N)=C2C(OCCOC)=O,0.0
5011,CO-ADD:0217168,17.28,C1(C2c3ccc(cc3Cl)Cl)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
5012,CO-ADD:0217348,17.28,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\NC(=O)c(cc3)ccc3N(C)C,0.0
5013,CO-ADD:0217372,17.28,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C/c(ccc2c3ccc(cc3)F)o2)nc4Nc(cc5)ccc5OC)n4,0.0
5014,CO-ADD:0217165,17.27,C1(C2c3c(cccc3Cl)Cl)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
5015,CO-ADD:0217040,17.27,C(CSCc(cc1)ccc1Cl)(=O)Nc2cccc(Cl)c2,0.0
5016,CO-ADD:0217413,17.27,c1(c2cccc(Cl)c2)oc3c(ccc(c3)\N=C\c4cccc(I)c4O)n1,0.0
5017,CO-ADD:0217229,17.27,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c(cc3)ccc3\N=C\c(ccc(c4[N+](=O)[O-])OC(=O)c5ccc(cc5)OC)c4,0.0
5018,CO-ADD:0217298,17.27,N1(CNc2ccccc2OCC)C(=O)\C(\SC1=O)=C\c3ccc(C)o3,0.0
5019,CO-ADD:0217082,17.27,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)C)CC(=O)N\N=C\c(cc3)ccc3C#N,0.0
5020,CO-ADD:0217343,17.27,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c(ccc2c(cc3)ccc3C(O)=O)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
5021,CO-ADD:0217093,17.27,C(/CCCC1)(\N1C)=N/c2ccccc2C#N,0.0
5022,CO-ADD:0217134,17.27,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)C#N,0.0
5023,CO-ADD:0216979,17.27,C(=O)(C\C(\C)=N\NC(Cc(cc1)ccc1c2ccccc2)=O)Nc3cc(C)ccc3OC,0.0
5024,CO-ADD:0217491,17.27,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br,0.0
5025,CO-ADD:0158310,17.27,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1N/N=C(C)\C(C)C(OCC)=O)=O,0.0
5026,CO-ADD:0157959,17.27,N#CC1=C(C)N(C2=C1C=CC=C2)C,0.0
5027,CO-ADD:0158191,17.27,N#CC1=C(N)OC(CCl)=C(C(OCC)=O)C1C(C=C2)=CC=C2Cl,0.0
5028,CO-ADD:0158178,17.27,N#CC1=C(SCC(C(Cl)=CC=C2)=C2F)N=C(C3=CC=CS3)C=C1C(C=C4)=CC=C4F,0.0
5029,CO-ADD:0158010,17.26,O=C1N(C(CC1)=O)C(NC2=NC=C(Br)C=C2)C(C(Cl)=C3)=CC=C3Cl,0.0
5030,CO-ADD:0158290,17.26,O=C(N/N=C/C1=C(Cl)OC(C2=CC=CC=C2)=C1)C3=CC4=CC=CC=C4C=C3O,0.0
5031,CO-ADD:0137556,17.26,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC(C=CC=C4)=C4N=C3)=O)C=C1C(NC5=CN(CCCN=[N+]=[N-])C(C(NCCN6CCOCC6)=O)=C5)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
5032,CO-ADD:0137553,17.26,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C(C)=O)=O)C=C1C(NC3=CN(C)C(C(NCCN4CCOCC4)=O)=C3)=O.OC(C(F)(F)F)=O,0.0
5033,CO-ADD:0137547,17.26,CN1C=C(NC(C(C=C2)=CN=C2/C=C/C3=CC=C(N(C)C)C=C3)=O)C=C1C(NC4=CN(C)C(C(NCCN(C)C)=O)=C4)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
5035,CO-ADD:0329970,17.26,N#CCc(cc1)ccc1NC(COc(ccc(c2C)C)c2)=O,0.0
5036,CO-ADD:0329242,17.26,n1c(c2ccc(cc2)OC)nnn1CC(=O)Nc(cc3)ccc3F,0.0
5037,CO-ADD:0329290,17.26,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OC)OC)c3)\C1=N,0.0
5038,CO-ADD:0328086,17.26,c1(c2C)c(c(nn2)C)c([nH]c1C)C,0.0
5039,CO-ADD:0327471,17.25,N(C(=O)\C(\S1)=C/c2ccccc2OCC)=C1N(CC3)CCN3c4ccc(cc4)Cl,0.0
5040,CO-ADD:0329546,17.25,N1(CC(O)=O)C(=O)C2C(C(CC23)C4C3N=NN4c(cc5)ccc5[N+](=O)[O-])C1=O,0.0
5041,CO-ADD:0325928,17.25,C(OC)(F)(C(F)(F)F)C(=O)Nc1ccccc1C(O)=O,0.0
5042,CO-ADD:0325968,17.25,c1(N(C)C2=O)n(c(nn1)SCc(ccc(c34)OCO3)c4)c(c25)sc(c56)COC(C)(CC)C6,0.0
5043,CO-ADD:0327460,17.25,C1(=O)Nc2c(Oc(cc(cc3Oc4ccccc4Cl)[N+](=O)[O-])c13)cccc2,0.0
5044,CO-ADD:0327213,17.25,S(=O)(=O)(c1ccc(cc1)CCNC(=O)c2ccccc2SC)N3CCCCC3,0.0
5045,CO-ADD:0327742,17.25,C1(N2CCCCC2)(C(F)(F)F)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
5046,CO-ADD:0327526,17.25,C(/S\C(\C1=O)=C/c(ccc2c3ccc(cc3)OC(F)(F)F)o2)(=N\C(C)=O)\N1,0.0
5047,CO-ADD:0328512,17.25,N1(c2ccccc2)C(=O)C(N(CCc3ccccc3F)C1=S)CC(=O)Nc4ccccc4,0.0
5048,CO-ADD:0328321,17.24,C(=O)(NCc(cc1)ccc1C(C)C)c2cccc(cccc3)c23,0.0
5049,CO-ADD:0328586,17.24,N(C(c1ccccc1)=O)(N(C=CC=C2C)C2=N3)C3=S,0.0
5050,CO-ADD:0328602,17.24,N1(CC(c2ccccc2)=O)c3c(cccc3)Oc(cc(cc4[N+](=O)[O-])Oc5ccccc5)c4C1=O,0.0
5051,CO-ADD:0329571,17.24,S(=O)(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(OCC)=O)c2c(C)cc(cc2C)C,0.0
5052,CO-ADD:0329579,17.24,[N+](=O)([O-])c1cccc(c1)C(CC(OCC)=O)NC(=O)c(cc2)ccc2C(C)(C)C,0.0
5053,CO-ADD:0328061,17.23,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3c(C)ccc(c3)[N+](=O)[O-],0.0
5054,CO-ADD:0327613,17.23,N1(CC(=O)N2CCCC2C(O)=O)C(=O)C3C(C4CC3C=C4)C1=O,0.0
5055,CO-ADD:0327645,17.23,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)Nc2c(C)cc(cc2C)C,0.0
5056,CO-ADD:0327957,17.23,C(O)(c1ccc(cc1)O)(C(OC)=O)C(F)(F)F,0.0
5057,CO-ADD:0327790,17.23,C1C(=O)C(C(=O)CC(c2ccc(cc2)OC)N3c4ccc(cc4)OC)=C3CC1(C)C,0.0
5058,CO-ADD:0328014,17.23,C1(c(ccc2[N+](=O)[O-])o2)=Nc(c3C(CC)(CC)O1)ccc(Br)c3,0.0
5059,CO-ADD:0327469,17.22,N(C(=O)\C(\S1)=C/c(cc2)ccc2OC(C)C)=C1N(CC3)CCN3c4cccc(cccc5)c45,0.0
5060,CO-ADD:0326323,17.22,C(NCCc(c1c([nH]2)cccc1)c2)(C(F)(F)F)(C(F)(F)F)NC(=O)c3ccc(cc3)OC,0.0
5061,CO-ADD:0325963,17.22,C(NCCOC(C1)(CC(CC12)CC3C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccc(cc4)OC,0.0
5062,CO-ADD:0326614,17.22,C1(=O)Oc(c2N1CCCc(nnc3NC(C)=O)s3)cccc2,0.0
5063,CO-ADD:0326079,17.22,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(NCCN(CC4)CCO4)=O)c1Br,0.0
5064,CO-ADD:0328359,17.22,c1(c(O)c(C)c(c(NC(=O)c2ccc(cc2)OC)c1)C)S(=O)(=O)c3ccc(cc3)Cl,0.0
5065,CO-ADD:0327783,17.22,S(c1ccccc1)(=O)(=O)c2c(O)c(C)cc(NC(=O)c3ccc(cc3)Cl)c2C,0.0
5066,CO-ADD:0326192,17.22,C1(C(c2ccco2)C3=C(N4)CCCC3=O)=C4c5c(cccc5)C1=O,0.0
5067,CO-ADD:0326409,17.21,[nH]1c2c(nc1SCC(=O)Nc3ccccc3)cccn2,0.0
5068,CO-ADD:0325954,17.21,C1(CCOC(C)(C)C1)(c2ccc(cc2)C)CC(=O)Nc(cc3)ccc3OC,0.0
5069,CO-ADD:0327327,17.21,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccc(cc5)Cl)C(OC)=O,0.0
5070,CO-ADD:0327127,17.21,C(NCCNC(=O)c1ccc(cc1)C)(=O)c2ccc(cc2)C,0.0
5071,CO-ADD:0326582,17.21,n1(c(CC)nn2)c2SCC(c3ccc(cc3)OCC)=N1.Br,0.0
5072,CO-ADD:0326438,17.21,S(=O)(=O)(Oc1cccc(F)c1)\N=C(/O)\NNc2c(Cl)c(C#N)nc(Cl)c2Cl,0.0
5073,CO-ADD:0329611,17.21,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3c(C)cc(cc3C)C,0.0
5074,CO-ADD:0329659,17.21,s1c(SCc2ccccc2F)nnc1SCc3ccccc3F,0.0
5075,CO-ADD:0327743,17.21,C1(NC2CCCCC2)(C(F)(F)F)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
5076,CO-ADD:0327527,17.2,c12c(n(cn1)CC(NCCc(ccc(c3OCC)OCC)c3)=O)C(N(C)C(=O)N2C)=O,0.0
5077,CO-ADD:0327287,17.2,c12c(c3c(cccc3)OC1=O)nc(c4ccc(cc4)Br)nc2NC(CC)=O,0.0
5078,CO-ADD:0327312,17.2,N(C(=O)\C(\S1)=C/c2ccc(cc2OC)OC)=C1N3CCC(CC3)Cc4ccccc4,0.0
5079,CO-ADD:0326364,17.2,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c(c(C)c3)c(C)cc3N4CCCC4=O,0.0
5080,CO-ADD:0327175,17.2,c1(CN(c2ccccc2)C(=O)Nc(ccc(c3Cl)Cl)c3)nnc(CCCCC4)n14,0.0
5081,CO-ADD:0329475,17.2,S(=O)(=O)(Nc(cc(Sc1ccccc1)cc2[N+](=O)[O-])c2)c3c(C(C)C)cc(cc3C(C)C)C(C)C,0.0
5082,CO-ADD:0326287,17.2,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(C45CC(CC6C4)CC(C6)C5)n1CC(O)c7ccccc7,0.0
5083,CO-ADD:0330030,17.2,C(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(O)=O)c2c(cccc2F)F,0.0
5084,CO-ADD:0329604,17.2,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3ccc(c(Cl)c3OC)Cl,0.0
5085,CO-ADD:0329652,17.2,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4OC)cc(c4OCc5ccccc5F)OC)\C1=O,0.0
5086,CO-ADD:0329660,17.19,[N+](=O)([O-])c1ccc(cc1)NC(Cc(ccc(c2OCC)OCC)c2)=O,0.0
5087,CO-ADD:0328473,17.19,c1(SCc(ccc(c2Cl)Cl)c2)nc(CCC)ccc1C#N,0.0
5088,CO-ADD:0329629,17.19,c1(N\N=C\c(cc2)ccc2I)nncn1N.Cl,0.0
5089,CO-ADD:0329469,17.19,C1(=O)Oc(c(c2)S1)cc(c2OC(OCCCC)=O)Br,0.0
5090,CO-ADD:0330045,17.19,C1(C(=O)CC(N2c3cccc(c3)[N+](=O)[O-])c4ccc(c(OC)c4)OC)=C2CC(C)(C)CC1=O,0.0
5091,CO-ADD:0330069,17.19,c1(cc(OC)ccc1OC)C(=O)c(cc2)ccc2C(=O)Nc3ccccc3C#N,0.0
5092,CO-ADD:0327264,17.19,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(NCCCn(ccn4)c4)=O)n2.Cl,0.0
5093,CO-ADD:0327552,17.19,c(nn(c12)c(C)c(c(C)n1)C)(S(=O)(=O)Nc3cccc(OC)c3)n2,0.0
5094,CO-ADD:0326810,17.19,C(C(=O)c1ccc(cc1)F)(C2c3ccccc3F)=C(O)C(N2Cc(cccn4)c4)=O,0.0
5095,CO-ADD:0326250,17.19,N1(c2ccccc2C(F)(F)F)C(=O)CC(N(CC3)CCN3Cc4ccccc4)C1=O,0.0
5096,CO-ADD:0326859,17.18,[nH](c(ccc(c1)OCc2ccccc2)c1c3CCNC(CCCCCNC(=O)c4ccccc4C(O)=O)=O)c3C,0.0
5097,CO-ADD:0327353,17.18,N1C(=O)\C(\NC1=S)=C/c2cc(cccc3)c3nc2N4CCCCC4,0.0
5098,CO-ADD:0329607,17.18,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c(cc3)ccc3C(C)(C)C,0.0
5099,CO-ADD:0329663,17.18,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)(=O)(=O)c3c(OC)ccc(OC)c3,0.0
5100,CO-ADD:0328847,17.18,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)c4ccc(Br)o4,0.0
5101,CO-ADD:0328408,17.18,C1(CC(OC12CCCCC2)=O)C(=O)Nc3c(cccc3Cl)Cl,0.0
5102,CO-ADD:0328729,17.18,C1(c2ccc(c3n2)cccc3)=CNc(c4C1c5ccccc5)cccc4,0.0
5103,CO-ADD:0328498,17.18,N(c1cccc(cccc2)c12)(C(=O)C(C34)C(C)NC35c6c(NC5=O)cccc6)C4=O,0.0
5104,CO-ADD:0329614,17.18,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3c(Cl)ccc(c3)[N+](=O)[O-],0.0
5105,CO-ADD:0326604,17.17,N1(\N=C\c(ccc(c2O)O)c2)C(C)=NN=C(c3ccccc3)C1=O,0.0
5106,CO-ADD:0326764,17.17,c(cn(n1)c(cc2)ccc2[N+](=O)[O-])(c(c3ccco3)nnc4c5sc(c6n5)cccc6)c14,0.0
5107,CO-ADD:0328128,17.17,S(NCCc(c1c([nH]2)cccc1)c2)(=O)(=O)c3ccc(cc3)Oc(cc4)ccc4[N+](=O)[O-],0.0
5108,CO-ADD:0328904,17.17,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3Oc4c(Cl)cc(cn4)Cl)n2)Cc(cc5)ccc5C#N,0.0
5109,CO-ADD:0328373,17.17,N1(c2c(cccc2)CCc(cccc3)c13)C(=O)CN(CC4)CCN4c5ccc(cc5)F,0.0
5110,CO-ADD:0329543,17.17,S(=O)(=O)(c1c(C)cc(c(C)c1)C)N(C(C)=O)c(ccc(c23)oc(CCCC4)c24)c3,0.0
5111,CO-ADD:0327985,17.17,C1(=C(C)N(N(c2ccccc2)C1=O)C)N3C(=O)C(C4C3=O)C(C=C5)OC45,0.0
5112,CO-ADD:0329000,17.17,C12(c3c(N(C\C=C/c4ccccc4)C1=O)cccc3)NC(C(C(N5c6cccc(Cl)c6)=O)C2C5=O)C,0.0
5113,CO-ADD:0328031,17.17,C12=C(CN(CCN(CC3)CCO3)CN1)C(N(C)C(=O)N2C)=O,0.0
5114,CO-ADD:0327615,17.17,c(c(C)nc(c1C(OCC)=O)C)(c1)c2ocnn2,0.0
5115,CO-ADD:0327911,17.17,S(=O)(=O)(c1c(C)cc(cc1C)C)Nc(c(cccc2)c23)cc4c3oc(CCC(C)C5)c45,0.0
5116,CO-ADD:0327479,17.17,n1(nc(n2)N)c2nc(C)c(Br)c1[O-],0.0
5117,CO-ADD:0327993,17.17,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])Cl)c1)N(CC2)CCN2C34CC5CC(CC(C5)C3)C4,0.0
5118,CO-ADD:0328009,17.16,c1(SCC(NCCOC(CC2CC3CC4C2)(C3)C4)=O)oc(c5n1)cccc5,0.0
5119,CO-ADD:0328017,17.16,N1C(c2ccc(cc2)Cl)C(CC=C3)C3c4c1c(O)ccc4Cl,0.0
5120,CO-ADD:0329671,17.16,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)Oc(cc2)ccc2Oc3c(Cl)cc(cn3)Cl,0.0
5121,CO-ADD:0329679,17.15,S(=O)(=O)(c1ccc(cc1)F)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
5122,CO-ADD:0326051,17.15,C1(=C(Nc(cc2)ccc2O)C(c(cccc3)c3C1=O)=O)n4c5c(nn4)cccc5,0.0
5123,CO-ADD:0326075,17.15,o(c(c1ccc(cc1)F)nn2)c2c3ccc(cc3)OC,0.0
5124,CO-ADD:0326512,17.15,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4cccc(OC)c4,0.0
5125,CO-ADD:0328648,17.15,S(c1ccccc1)(=O)(=O)c(cc2)ccc2C(=O)NC(CC)C34CC5CC(CC(C5)C3)C4,0.0
5126,CO-ADD:0329696,17.15,c(SCC(=O)N(C)c1ccc(cc1)OC(F)(Cl)F)(nc(c2ccco2)cc3C(F)(F)F)n3,0.0
5127,CO-ADD:0326261,17.15,n1(cnc2c3ncn2)c3scc1c4ccc(cc4)Cl,0.0
5128,CO-ADD:0326845,17.15,n(c(c1ccccc1)nn2N)c2c3ccccc3,0.0
5129,CO-ADD:0326637,17.15,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)NC4CC4)n2,0.0
5130,CO-ADD:0325949,17.14,c12c(ncnc1N(CC3)CCO3)scc2C4COc(c5O4)cccc5,0.0
5131,CO-ADD:0327762,17.14,N1(N=C(S2)CC)C2=NC(=O)\C(=C\c(ccc3c(cc4[H])c(OC)cc4[N+](=O)[O-])o3)\C1=N,0.0
5132,CO-ADD:0327554,17.14,c(nn(c12)c(C)c(c(C)n1)C)(n2)S(=O)(=O)N(CC)Cc3ccccc3,0.0
5133,CO-ADD:0327363,17.14,C1(=C(Nc(cccc2C(O)=O)c2)C(c(cccc3)c3C1=O)=O)n4c5c(nn4)cccc5,0.0
5134,CO-ADD:0327515,17.14,c12c(n(cn1)CC(=O)Nc(cc3)ccc3OC(F)(F)F)C(N(C)C(=O)N2C)=O,0.0
5135,CO-ADD:0328873,17.14,N1(c2ccc(cc2)OC)C(=O)C(N(CCc(cc3)ccc3F)C1=S)CC(=O)Nc(cc4)ccc4C(OCC)=O,0.0
5136,CO-ADD:0326033,17.14,N1(CC)C(=O)C(N(Cc(cc2)ccc2OC)C1=S)CC(=O)Nc3ccccc3,0.0
5137,CO-ADD:0326465,17.14,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc(cc4)ccc4CCC(C)=O)[N+](=O)[O-])c13)cccc2,0.0
5138,CO-ADD:0326018,17.14,c1(cc(ccc1OC)CSc2sc3c(ccc(OCC)c3)n2)C(=O)N(CC4)CCO4,0.0
5139,CO-ADD:0326042,17.14,S(=O)(=O)(NC1CC1)C2=C(C)NC(NC2=O)=O,0.0
5140,CO-ADD:0326141,17.14,N1(Cc(cc2)ccc2F)C(=O)NC(\C(=C/c3cc(OCO4)c4cc3[N+](=O)[O-])\C1=O)=O,0.0
5141,CO-ADD:0326181,17.14,C(C(F)(F)F)(C(F)(F)F)(N=C1c2ccc(cc2)Cl)N=C3N1C=C(C=C3Cl)Cl,0.0
5142,CO-ADD:0327794,17.14,c1([C@H]2C[C@@H](C(C)(C)[C@@]23C)CC3)c(O)c([C@H]4[C@](C(C)(C)[C@H]5C4)(C)CC5)cc(CN(C(C)=O)CCCCCC)c1,0.0
5143,CO-ADD:0329217,17.14,C(C(OC)=O)(Nc1c(OC)ccc(OC)c1)(C(F)(F)F)NC(=O)C(F)(F)F,0.0
5144,CO-ADD:0329601,17.14,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3ccc(c(OC)c3)Cl,0.0
5145,CO-ADD:0328074,17.14,S(=O)(=O)(NC(c1ccccc1Cl)CC(OCC)=O)c2c(OC)ccc(Cl)c2,0.0
5146,CO-ADD:0329014,17.14,c1(nn(cn1)CCOc(ccc(c23)C=CC(=O)O2)c3)[N+](=O)[O-],0.0
5147,CO-ADD:0329022,17.13,C12(c3c(N(C\C=C/c4ccccc4)C1=O)cccc3)NC(C(C(N5c6ccccc6)=O)C2C5=O)C,0.0
5148,CO-ADD:0329273,17.13,C(O)(C(F)(F)F)(C(F)(F)F)c1ccc(c(C)c1O)C,0.0
5149,CO-ADD:0329524,17.13,C1(C(F)(F)F)(C(F)(F)F)N=C(C2CCCCC2)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
5150,CO-ADD:0215108,17.13,[N+](=O)([O-])NC(N)N\N=C\c(cc1)ccc1[N+](=O)[O-],0.0
5151,CO-ADD:0215140,17.13,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C\NNC(=O)c3ccccc3O,0.0
5152,CO-ADD:0215110,17.13,C(=C/NNc1cccc(Cl)c1)(/C(=O)NC(N2)=S)\C2=O,0.0
5153,CO-ADD:0215838,17.13,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(cccc2)c12)C(NCCO)=O,0.0
5154,CO-ADD:0164619,17.13,Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C.Cl,0.0
5155,CO-ADD:0164932,17.13,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O,0.0
5156,CO-ADD:0164980,17.13,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,0.0
5157,CO-ADD:0165001,17.13,Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,0.0
5158,CO-ADD:0165035,17.13,COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl,0.0
5159,CO-ADD:0165051,17.13,CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1.Cl,0.0
5160,CO-ADD:0165041,17.13,CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1.Cl,0.0
5161,CO-ADD:0164630,17.13,CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1.Cl,0.0
5162,CO-ADD:0164900,17.13,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O.Cl,0.0
5163,CO-ADD:0164752,17.12,OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1.NC(CO)(CO)CO,0.0
5164,CO-ADD:0164878,17.12,CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1,0.0
5165,CO-ADD:0164709,17.12,CCC1=C[C@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@@H]7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC.OC(C(O)C(=O)O)C(=O)O.OC(C(O)C(=O)O)C(=O)O,0.0
5166,CO-ADD:0164745,17.12,CN1C(=O)COc2c1cc(Cl)cc2C(=O)NC1CN2CCC1CC2.Cl,0.0
5167,CO-ADD:0164381,17.12,C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O,0.0
5168,CO-ADD:0164415,17.12,NC(=O)OCCCc1ccccc1,0.0
5169,CO-ADD:0164723,17.12,N[C@@H]1CONC1=O,0.0
5170,CO-ADD:0164411,17.12,O=C1NC(C(=O)[N-]1)(c1ccccc1)c1ccccc1.[Na+],0.0
5171,CO-ADD:0164797,17.12,O=C(O[C@H]1C[C@H]2C[C@H]3C[C@@H](C1)N2CC3=O)c4c[nH]c5ccccc45.CS(=O)(=O)O,0.0
5172,CO-ADD:0164813,17.11,CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12,0.0
5173,CO-ADD:0164819,17.11,[O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1,0.0
5174,CO-ADD:0164481,17.11,C[n+]1ccccc1\C=N\O.[Cl-],0.0
5175,CO-ADD:0164445,17.11,ClCCN(CCCl)P1(=O)NCCCO1.O,0.0
5176,CO-ADD:0164727,17.11,NC(=O)N1c2ccccc2CC(=O)c2ccccc12,0.0
5177,CO-ADD:0164765,17.11,Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12,0.0
5178,CO-ADD:0164925,17.11,COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C.Cl,0.0
5179,CO-ADD:0164958,17.11,C[C@H](Cc1ccccc1)N(C)CC#C.Cl,0.0
5180,CO-ADD:0164606,17.11,FC(F)(F)c1cccc(c1)N1CCNCC1.Cl,0.0
5181,CO-ADD:0165037,17.11,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,0.0
5183,CO-ADD:0164985,17.1,OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12.OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12.OC(=O)/C=C/C(=O)O,0.0
5184,CO-ADD:0164941,17.1,Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1.OC(=O)/C=C\C(=O)O,0.0
5185,CO-ADD:0164970,17.1,Oc1[nH]c2ccccc2c1C1=Nc2ccccc2C1=O,0.0
5186,CO-ADD:0164571,17.1,N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1,0.0
5187,CO-ADD:0164559,17.1,CN(C)[C@H]1C2CC3C(=C(O)[C@]2(O)C(O)=C(C(=O)NCN2CCCC2)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O,0.0
5188,CO-ADD:0165027,17.1,COc1ccccc1OCC(O)COC(N)=O,0.0
5189,CO-ADD:0164790,17.1,CC(N)(Cc1ccc(O)c(O)c1)C(O)=O,0.0
5190,CO-ADD:0164390,17.09,OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO,0.0
5191,CO-ADD:0164517,17.09,Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O)-c1c(Cl)cccc1Cl.[Na+],0.0
5192,CO-ADD:0164461,17.09,CC(N)COc1c(C)cccc1C.Cl,0.0
5193,CO-ADD:0164768,17.09,COc1c2occc2cc2ccc(=O)oc12,0.0
5194,CO-ADD:0164432,17.09,CC(C)c1cccc(C(C)C)c1O,0.0
5195,CO-ADD:0215661,17.08,N1(C2CCCCC2)CC(CC1=O)C(=O)Nc(cc3)ccc3I,0.0
5196,CO-ADD:0215696,17.08,c1(c(cccc1[N+](=O)[O-])C(=O)OCC(=O)c2ccc(cc2)Br)C(=O)Nc(cc3)c(C)cc3[N+](=O)[O-],0.0
5197,CO-ADD:0215669,17.08,C(=O)(N\N=C\c(cc1)ccc1C)C(=O)Nc2cc(C)ccc2C,0.0
5198,CO-ADD:0215285,17.08,C(=N/O)(/Nc(cc1)ccc1OC)\C(=N/O)\Nc(cc2)ccc2OC,0.0
5199,CO-ADD:0215815,17.08,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(C)c1)C(NCCO)=O,0.0
5200,CO-ADD:0215159,17.08,C1(C#N)(C#N)[C@H](c2cccc(cccc3)c23)[C@H](N4[C@]1([H])C=Cc(c45)cc(cc5)Cl)C(=O)c6ccc(cc6)C,0.0
5201,CO-ADD:0215728,17.08,c1(cc(ccc1N(C)C)\C=N\c2ccccc2O)[N+](=O)[O-],0.0
5202,CO-ADD:0215837,17.08,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1I)C(NCCO)=O,0.0
5203,CO-ADD:0215310,17.08,c(C(=O)c1ccc(cc1)Cl)(sc(n2)NCC=C)c2N,0.0
5204,CO-ADD:0137588,17.08,CN1C=C(NC(C2=CC(NC(C3=CC=C(/C=C/C4=CC=C(OC)C=C4)C=C3)=O)=CN2C)=O)C=C1C(NCCN5CCC(OCCOC)CC5)=O.S(O)(O)(=O)=O,0.0
5205,CO-ADD:0219164,17.08,N(=C\c1ccccc1I)/NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
5206,CO-ADD:0219739,17.07,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2F,0.0
5207,CO-ADD:0219481,17.07,C(=O)(N\N=C\c1cccc(Br)c1)CN(C)c2ccccc2,0.0
5208,CO-ADD:0220635,17.07,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/C)\c3ccc(cc3)N,0.0
5209,CO-ADD:0220547,17.07,c1(\C=N\NC(CNc(cc2)ccc2C)=O)cc(Br)cc(C)c1O,0.0
5210,CO-ADD:0220346,17.07,C(CNc1cccc(C)c1)(=O)N\N=C\C=C\c2ccco2,0.0
5211,CO-ADD:0220696,17.07,c1(N(CC2)CCO2)nc(N\N=C\c3cc(I)ccc3O)nc(Nc(cc4)ccc4C)n1,0.0
5212,CO-ADD:0220563,17.07,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(COc3ccc(cc3Cl)Cl)=O,0.0
5213,CO-ADD:0222841,17.07,c1(C)c(cccc1NC(COc(cc2)ccc2C)=O)Cl,0.0
5214,CO-ADD:0222815,17.07,n1(CC)c2c(c(cc(cc3)NC(=O)C\C(\C)=N\NC(=O)c4cccc(C)c4O)c13)cccc2,0.0
5215,CO-ADD:0222107,17.07,C(=O)(c1cccc(c1)OCc2cccc(Cl)c2)Nc(cc3)ccc3OC,0.0
5216,CO-ADD:0222390,17.07,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\NC(=O)c3ccc(cc3)C,0.0
5217,CO-ADD:0222310,17.06,c(Nc1ccccc1)(nc(N\N=C/c(ccc2c(ccc(c3Cl)Cl)c3)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
5218,CO-ADD:0219823,17.06,C(COc(cc1)ccc1OC)(=O)NCc2ccccc2,0.0
5219,CO-ADD:0219783,17.06,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)c2ccccc2N,0.0
5220,CO-ADD:0222409,17.06,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(c(cc3)ccn3)=O,0.0
5221,CO-ADD:0220518,17.06,C(/[N+](=O)[O-])(\C(\Br)=C(\Cl)/Cl)=C(/Nc1cccc(C)c1)\Nc2cccc(C)c2,0.0
5222,CO-ADD:0220358,17.06,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(CNc(cc3)ccc3C)=O)o1,0.0
5223,CO-ADD:0220967,17.06,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(ccc(c3[N+](=O)[O-])O)c3,0.0
5224,CO-ADD:0219305,17.06,c(Nc1ccccc1)(nc(N\N=C\c(ccc(c2Cl)Cl)c2)nc3Nc4ccccc4)n3,0.0
5225,CO-ADD:0220134,17.06,C(=O)(N\N=C\c(cc1)ccn1)c2ccco2,0.0
5226,CO-ADD:0220114,17.06,N1(CNc2c(Cl)ccc(Cl)c2)C(=O)\C(\SC1=O)=C/c3ccccc3,0.0
5227,CO-ADD:0220609,17.05,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)\C(=C\c2ccccc2O)\NC(c3ccccc3)=O)O)c1,0.0
5228,CO-ADD:0219675,17.05,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1C)C(=O)Nc2cccc(Cl)c2C,0.0
5229,CO-ADD:0222231,17.05,c(\C=N\NC(CNc(ccc(c12)cccc1)c2)=O)(cc(OCO3)c3c4)c4Cl,0.0
5230,CO-ADD:0222839,17.05,C12(CC(CC3C1)CC(C3)C2)C(=O)NC4CCCCCCC4,0.0
5231,CO-ADD:0219835,17.05,c1(cccc(cccc2)c12)NC(=O)CC#N,0.0
5232,CO-ADD:0219831,17.05,[N+](=O)([O-])c1ccc(cc1)NC(COc2ccccc2)=O,0.0
5233,CO-ADD:0220166,17.05,c(\C=N\NC(CNc(cc1)ccc1C)=O)(cc(Br)cc2Br)c2OC,0.0
5234,CO-ADD:0220610,17.05,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccc(cc3)Br)OC,0.0
5235,CO-ADD:0222120,17.05,N1(c2ccc(cc2)C)C(=O)C(C(C1=O)C34C=O)C(c(c35)cccc5)c(c46)cccc6,0.0
5236,CO-ADD:0222680,17.05,[N+](=O)([O-])c1ccc(c(C)c1)\N=C\c(cc2)ccc2N(CC)CC,0.0
5237,CO-ADD:0220554,17.05,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CNc(cc2)ccc2C)=O,0.0
5238,CO-ADD:0220521,17.05,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(CNc(cc3)ccc3C)=O)o1,0.0
5239,CO-ADD:0219615,17.05,[N+](=O)([O-])c(cccc1C(=O)N\N=C\C=C(/O)\c2ccc(cc2)Br)c1,0.0
5240,CO-ADD:0220264,17.05,C(=N\NC(COc(cccc1[N+](=O)[O-])c1)=O)(/c2c(N3)ccc(C)c2)\C3=O,0.0
5241,CO-ADD:0221971,17.04,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c4cc(Cl)ccc4O,0.0
5242,CO-ADD:0220575,17.04,c1(Br)c(O)c(\C=N\NC(CNc2ccccc2C)=O)cc(Br)c1O,0.0
5243,CO-ADD:0220667,17.04,c1(N(CC2)CCO2)nc(N\N=C\c3cc(I)ccc3O)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
5244,CO-ADD:0219269,17.04,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c2ccc(cc2)OCCCCCCC,0.0
5245,CO-ADD:0222797,17.04,C12(C)C(C1C(=O)N\N=C\c3c4c(cccc4)cc(cccc5)c35)CCCC2,0.0
5246,CO-ADD:0222098,17.04,N1(c2ccc(cc2C)C)C(=O)C(C(C1=O)C34C=O)C(c(c35)cccc5)c(c46)cccc6,0.0
5247,CO-ADD:0222798,17.04,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc(cccn2)c2,0.0
5248,CO-ADD:0220555,17.04,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3c(Br)cc(cc3Br)Br)=O,0.0
5249,CO-ADD:0222552,17.04,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2ccc(cc2OC)OC,0.0
5250,CO-ADD:0222600,17.04,C(=O)(Nc(cc1)ccc1OCC)C\C(\C)=N\NC(COc(cc2)ccc2OC)=O,0.0
5251,CO-ADD:0222146,17.04,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc2cccc(cccc3)c23)=O)c4ccccc4Cl,0.0
5252,CO-ADD:0220352,17.03,c1(ccc(\C=N\NC(CNc(cc2)ccc2C)=O)o1)c3ccc(cc3Cl)Cl,0.0
5253,CO-ADD:0219642,17.03,N(=C\c1cccc(Cl)c1)/NC(CCC(=O)Nc(cc2)ccc2OC)=O,0.0
5254,CO-ADD:0218935,17.03,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)I)Nc2cccc(Cl)c2C,0.0
5255,CO-ADD:0219686,17.03,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2C(N)=O,0.0
5256,CO-ADD:0218949,17.02,N(c1ccccc1Br)C(CCC(=O)N\N=C\c2ccccc2Cl)=O,0.0
5257,CO-ADD:0222786,17.02,c1(c(CCC2)c2c3c(ccc(cccc4)c34)n1)c5ccc(cc5Cl)Cl,0.0
5258,CO-ADD:0222092,17.02,C(=O)(c(cc1)ccc1C(C)(C)C)Nc2cccc(N(C)C)c2,0.0
5259,CO-ADD:0222034,17.02,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(COc3cccc(C)c3)=O)[N+](=O)[O-],0.0
5260,CO-ADD:0220135,17.02,C1(C(c2ccc(cc2)Br)C3C(=O)CC(CC3=O)(C)C)=C(O)CC(C)(C)CC1=O,0.0
5261,CO-ADD:0222307,17.02,c(cc(Cl)cc1Cl)(\C=N\c(cc2)ccc2C(OCC)=O)c1O,0.0
5262,CO-ADD:0222529,17.02,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2ccccc2,0.0
5263,CO-ADD:0219630,17.02,C(=O)(N\N=C\c(cc1)ccc1C(C)C)C(=O)Nc2ccc(cc2C)Cl,0.0
5264,CO-ADD:0220462,17.02,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc3ccccc3OC)=O,0.0
5265,CO-ADD:0220458,17.02,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c(cc2)ccn2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
5266,CO-ADD:0220928,17.02,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)C2c3c(c(cccc4)c24)cccc3,0.0
5267,CO-ADD:0220978,17.02,C(=N/NC(=O)c1ccc(cc1)OC)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
5268,CO-ADD:0220874,17.02,C(c1ccc(cc1)F)(Nc2cccc(C)c2)C3CCCC3=O,0.0
5269,CO-ADD:0222740,17.02,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2,0.0
5270,CO-ADD:0222479,17.02,c1(cc(ccc1N(CC2)CCO2)[N+](=O)[O-])C(F)(F)F,0.0
5271,CO-ADD:0222156,17.02,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(CNc(ccc(c34)cccc3)c4)=O,0.0
5272,CO-ADD:0219329,17.02,c1(SCC(=O)Nc2ccc(cc2C)C)nc(cc(C)c1C#N)C(F)(F)F,0.0
5273,CO-ADD:0222856,17.01,C(=O)(C(c1ccccc1)c2ccccc2)Nc3c(OC)ccc(Cl)c3,0.0
5274,CO-ADD:0222130,17.01,C(=C\c(c(Cl)ccc1[N+](=O)[O-])c1)(/C2=O)\Sc(c23)cccc3,0.0
5275,CO-ADD:0222237,17.01,c1(c(Br)cc(cc1\C=N\NC(CNc2cccc(cccc3)c23)=O)Br)OC(=O)c(cc4OC)cc(c4OC)OC,0.0
5276,CO-ADD:0222690,17.01,[N+](=O)([O-])c(cc1)ccc1c2ccc(cc2)NC(CCCCCCCCCCC)=O,0.0
5277,CO-ADD:0220918,17.01,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
5278,CO-ADD:0221934,17.01,N1(C(=O)CC(NC(=O)c(cccc2NC(=O)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c2)=N1)c4c(Cl)cc(cc4Cl)Cl,0.0
5279,CO-ADD:0222372,17.01,c1(c(O)cc(c(Cl)c1C)C)\C=N\c2cc(C)ccc2O,0.0
5280,CO-ADD:0220202,17.01,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C(/C)\c2ccc(cc2)Cl,0.0
5281,CO-ADD:0219397,17.01,C(=O)(N\N=C\c1ccccc1I)C(=O)NCc(cc2)ccc2C,0.0
5282,CO-ADD:0221901,17.01,S(=O)(=O)(Nc(c1)cc(cc1C(OC)=O)C(OC)=O)c(ccc(c2[N+](=O)[O-])Cl)c2,0.0
5283,CO-ADD:0222190,17.01,c1(c2cccc(Br)c2)oc3c(ccc(c3)\N=C\c(cc4)ccc4[N+](=O)[O-])n1,0.0
5284,CO-ADD:0222464,17.01,N(/c1cccc(Cl)c1Cl)=C\c2ccc(cc2Cl)Cl,0.0
5285,CO-ADD:0221175,17.01,N1(C(=O)c2ccc(cc2)Cl)N=C(CC1(O)c(cc3)ccn3)C,0.0
5286,CO-ADD:0220315,17.01,c1(Br)c(O)c(\C=N\NC(CNc2cccc(C)c2)=O)cc(Br)c1O,0.0
5287,CO-ADD:0220485,17.0,S(=O)(=O)(c1ccc(cc1)C)N\N=C\c(c2)c(N(CCCC)CC)ccc2[N+](=O)[O-],0.0
5288,CO-ADD:0220872,17.0,C(=O)(Nc(cc1)ccc1C(=O)OC(CC2)CCC2C(C)(C)C)c3ccccc3Br,0.0
5289,CO-ADD:0220841,17.0,c(Nc1ccccc1)(nc(N\N=C\c(cc2)ccc2Br)nc3Nc(cc4)ccc4OC)n3,0.0
5290,CO-ADD:0222423,17.0,c1(c(Br)cc(cc1\C=N\NC(c(cc2)ccn2)=O)Br)OC(=O)c3cccc(C)c3,0.0
5291,CO-ADD:0218913,17.0,c1(ccccc1F)C(=O)N\N=C(/C)\CC(=O)NC(C)CC,0.0
5292,CO-ADD:0220831,17.0,c(Nc1ccccc1)(nc(N\N=C\c(c(O)ccc2[N+](=O)[O-])c2)nc3Nc(cc4)ccc4OC)n3,0.0
5293,CO-ADD:0219111,17.0,C(=C\c(cc1)ccc1[N+](=O)[O-])(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
5294,CO-ADD:0220511,16.99,C(/[N+](=O)[O-])(=C(\Nc(cc1)ccc1N)/Nc(cc2)ccc2N)\C=C(\Cl)/[N+](=O)[O-],0.0
5295,CO-ADD:0219159,16.99,C(=O)(c(cc1)ccc1C(C)(C)C)Nc2ccccc2OCCCC,0.0
5296,CO-ADD:0220434,16.99,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(ccc(c3OC)OC)c3,0.0
5297,CO-ADD:0222124,16.99,C(=O)(c1ccc(cc1)F)Oc(cc2)ccc2C(c3ccccc3)=O,0.0
5298,CO-ADD:0222526,16.99,c1(cc(Br)cc(OC)c1O)\C=N\c(ccc(c2Cl)OC)c2,0.0
5299,CO-ADD:0220405,16.99,c1(c(O)c(\C=N\c(ccc(c2[nH]3)nc3c4ccccc4)c2)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
5300,CO-ADD:0222713,16.99,N1(CNc2ccccc2C(OC)=O)C(=O)\C(\SC1=O)=C/c(cc3OC)cc(c3OC)OC,0.0
5301,CO-ADD:0222315,16.98,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3[N+](=O)[O-])nc(Nc4cccc(Br)c4)n1,0.0
5302,CO-ADD:0221015,16.98,c1(cc(ccc1C(=O)OCC2CCCCC2)[N+](=O)[O-])[N+](=O)[O-],0.0
5303,CO-ADD:0220198,16.98,N(=C(/C)\c1cccc(Br)c1)/NC(CNc(cc2)ccc2C)=O,0.0
5304,CO-ADD:0220053,16.98,c12c(c(CC3)ccc1[N+](=O)[O-])c3ccc2[N+](=O)[O-],0.0
5305,CO-ADD:0219190,16.98,C(COc(cc1)ccc1OCCCCCCCC)(=O)N\N=C\c2cccc(Cl)c2,0.0
5306,CO-ADD:0220001,16.98,C(O\N=C\c(cc1)ccc1OC)(=O)Nc(cc2)ccc2Cl,0.0
5307,CO-ADD:0222350,16.98,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c(ccc(c5[N+](=O)[O-])Cl)c5,0.0
5308,CO-ADD:0220627,16.98,C(=N\NC(=O)c1cccc(O)c1)(/c(cccc2C)c2N3)\C3=O,0.0
5309,CO-ADD:0222043,16.98,S(c1ccccc1)(=O)(=O)Oc2c(ccc3c2OC(=O)C=C3C)OS(c4ccccc4)(=O)=O,0.0
5310,CO-ADD:0219770,16.98,C(=O)(c1ccc(cc1)Cl)Oc2ccccc2\C=N\c(cc3)ccc3\N=C\c4ccccc4OC(=O)c5ccc(cc5)Cl,0.0
5311,CO-ADD:0220078,16.98,c1(NC(CC)=O)sc(c(C)c1C(OCC)=O)C,0.0
5312,CO-ADD:0219712,16.98,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c2ccccc2,0.0
5313,CO-ADD:0219532,16.98,C(=O)(c1cccc(F)c1)N\N=C(/C)\C=C\c2ccccc2F,0.0
5314,CO-ADD:0220820,16.97,c(Nc1ccccc1)(nc(N\N=C\c(ccc(c23)OCO2)c3)nc4Nc(cc5)ccc5OC)n4,0.0
5315,CO-ADD:0220804,16.97,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)OC2CCCCCCCCCCC2,0.0
5316,CO-ADD:0221940,16.97,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3C(C)=O,0.0
5317,CO-ADD:0222234,16.97,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3cccc(O)c3,0.0
5318,CO-ADD:0222403,16.97,C(=O)(Oc(cc1)ccc1\C=N\NC(c(cc2)ccn2)=O)c3ccccc3I,0.0
5319,CO-ADD:0220633,16.97,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c1,0.0
5320,CO-ADD:0220269,16.97,C(CNc(cc1)ccc1C)(=O)N\N=C\c2cccc(O)c2,0.0
5321,CO-ADD:0220214,16.97,N(\C(\C(O1)=O)=C/c2c(OCC)ccc(cccc3)c23)=C1c(cccc4[N+](=O)[O-])c4,0.0
5322,CO-ADD:0220028,16.97,n1c(c2ccccc2)cc(cc1c3ccccc3)c4ccccc4,0.0
5323,CO-ADD:0222193,16.97,c1(c2cccc(Br)c2)oc3c(ccc(c3)\N=C\c(cc(I)cc4I)c4O)n1,0.0
5324,CO-ADD:0221932,16.97,N1(Nc2ccc(cc2C)C)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
5325,CO-ADD:0220678,16.97,C(=N\N=C/c1ccccc1)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
5326,CO-ADD:0220683,16.97,c1(N(CC2)CCO2)nc(N\N=C\c3ccc(cc3Cl)Cl)nc(Nc(cc4)ccc4C)n1,0.0
5327,CO-ADD:0220258,16.96,C(CNc(cc1)ccc1C)(=O)N\N=C\c(ccc(c2Cl)OC)c2,0.0
5328,CO-ADD:0221875,16.96,N1(c2ccccc2)C(=O)C(C(C1=O)C34\C=N/Cc5cccc(cccc6)c56)C(c(c37)cccc7)c(c48)cccc8,0.0
5329,CO-ADD:0222442,16.96,c1(c(Br)cc(cc1\C=N\NC(c(cc2)ccn2)=O)Br)OC(=O)c3cccc(Br)c3,0.0
5330,CO-ADD:0222188,16.96,c1(c2cccc(Br)c2)oc3c(ccc(c3)\N=C\c(cc(OCO4)c4c5)c5Br)n1,0.0
5332,CO-ADD:0137570,16.96,O=C(NC1=CN(C)C(C(NCCN2CCOCC2)=O)=C1)C(C=C3)=CC=C3/C=C/C4=CC5=C(C=CC=C5)N=C4.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
5333,CO-ADD:0231624,16.96,c1(C(=O)N\N=C\c(cc2)ccc2F)nn(c(c3ccccc3)n1)c4ccccc4,0.0
5334,CO-ADD:0234147,16.96,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)ccc4OC(=O)c5ccccc5I,0.0
5335,CO-ADD:0234090,16.95,N1(CCc(c2C1CNC(C3CCCCC3)=O)cccc2)C(CCl)=O,0.0
5336,CO-ADD:0236867,16.95,n1(c2c(nn1)cccc2)S(=O)(=O)c3ccc(cc3)Cl,0.0
5337,CO-ADD:0236314,16.95,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCO3)C1=O,0.0
5338,CO-ADD:0233477,16.95,N(\C(=C/c1ccccc1C)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
5339,CO-ADD:0234484,16.95,c1(N(c2ccccc2)c3ccccc3)nc(NCCO)nc(OC(C(F)(F)F)C(F)(F)F)n1,0.0
5340,CO-ADD:0229764,16.95,c12c(CCNC1c3ccc(cc3)OCC)c4c(cccc4)[nH]2,0.0
5341,CO-ADD:0233652,16.95,c1(ccc(cc1O)\N=C\c(cc(Br)cc2Cl)c2O)C(O)=O,0.0
5342,CO-ADD:0229795,16.95,N1(CNc(cccc2C(F)(F)F)c2)N=C(OC1=S)c3ccccc3,0.0
5343,CO-ADD:0227678,16.95,C12=C(CC(C)(C)CC1=O)C(Nc(ccc(cccc3)c34)c24)c5ccc(cc5)F,0.0
5344,CO-ADD:0229792,16.95,N1C(=O)\C(\SC1=S)=C\c(ccc(c2OC)OCC(OCC)=O)c2,0.0
5345,CO-ADD:0236489,16.95,C(=O)(c1cccc(Cl)c1)N\N=C(/CC(C)(C)CC2=O)\C2,0.0
5346,CO-ADD:0236004,16.95,c1(SCC(=O)Nc2ccc(cn2)Br)[nH]c(c3n1)cccc3,0.0
5347,CO-ADD:0229829,16.94,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C3CCCCC3)c1CN(CC4)CCO4,0.0
5348,CO-ADD:0236469,16.94,C(F)(F)(F)C(=O)Nc(cc1)ccc1C(=O)Nc(c(Cl)ccc2C(F)(F)F)c2,0.0
5349,CO-ADD:0236911,16.94,N1(\N=C\c(cc(OCO2)c2c3)c3Br)C(=O)C4C(C(CC5)C=CC45)C1=O,0.0
5350,CO-ADD:0233356,16.94,c1(O)c(cc(cc1C(C)(C)C)CCC(NCCO)=O)C(C)(C)C,0.0
5351,CO-ADD:0135143,16.94,Cc1nc(OCCOC(=O)C)c2n(cc([N+](=O)[O-])n2)c1,0.0
5352,CO-ADD:0135135,16.93,O=C1NC(C)=Cn(c12)cc([N+](=O)[O-])n2,0.0
5353,CO-ADD:0240106,16.93,C[C@]1(CC2)[C@@]3([H])[C@@](C=C[C@@H]3OC(C4=CC=CC=C4)=O)([H])[C@]2(C5=CC=C(C(F)(F)F)C=C5)O1,0.0
5354,CO-ADD:0236932,16.93,O=C(C1=CC=CC(OC)=C1CC/2)C2=CC3=COC=C3,0.0
5355,CO-ADD:0236938,16.93,O=C(C1=CC(OC)=CC=C1CC/2)C2=CC3=CC=CC=N3,0.0
5356,CO-ADD:0244009,16.93,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(c6c(C(=O)Oc7ccc(CCO[N+]([O-])=O)cc7)cccc6)=O,0.0
5357,CO-ADD:0221832,16.93,C1(C(=O)CSc2nc(N)c(c(c3cccc(O)c3)c2C#N)C#N)=Cc4c(OC1=O)cccc4,0.0
5358,CO-ADD:0221219,16.93,S(=O)(=O)(c1ccc(cc1)NC(C)=O)NNC(COc2ccc(cc2Cl)Cl)=O,0.0
5359,CO-ADD:0219456,16.93,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc2c(C)ccc(Cl)c2,0.0
5360,CO-ADD:0222182,16.93,n1c(ccc(c2)\N=C\c(cc(OCO3)c3c4)c4Br)c2oc1c5ccc(cc5)Cl,0.0
5361,CO-ADD:0220171,16.93,c1(oc(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c(cccc4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])c4,0.0
5362,CO-ADD:0220216,16.92,S1(=O)(=O)c2c(c(ccc(c3)\N=C\c(cc4)ccc4Br)c13)ccc(c2)\N=C\c(cc5)ccc5Br,0.0
5363,CO-ADD:0221169,16.92,n1(\N=C\C(O)=O)nnnc1Nc2ccccc2,0.0
5364,CO-ADD:0219295,16.92,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(ccc(c45)OCO4)c5,0.0
5365,CO-ADD:0218972,16.92,c1(cccs1)C(CCNc(ccc(c2Cl)Cl)c2)=O,0.0
5366,CO-ADD:0220988,16.91,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(cc3)ccc3Br,0.0
5367,CO-ADD:0221905,16.91,C(=C/c(cc1)ccc1\C=C(/C(=O)NC(N2)=O)\C2=O)(/C(=O)NC(N3)=O)\C3=O,0.0
5368,CO-ADD:0220877,16.91,C(C(=O)N(CC1)CCO1)(C2c3ccccc3)C(C2C(=O)N\N=C\c(cc4)ccc4Br)c5ccccc5,0.0
5369,CO-ADD:0220862,16.91,C(OCCCCCCCCC)(=O)c1ccc(cc1)NC(CCCCC)=O,0.0
5370,CO-ADD:0258580,16.91,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Br)c4sc(c5c4C#N)CCCC5,0.0
5371,CO-ADD:0283915,16.91,n1nc(c2n1CNc3nonc3N)cccc2,0.0
5372,CO-ADD:0284715,16.91,N1(C(c2ccc(cc2)Br)CC(c3ccc(cc3)C)=N1)C(=N)SC(CC(N4c5ccc(cc5)Br)=O)C4=O,0.0
5373,CO-ADD:0283963,16.91,C(C(OCCSCC)=O)(C1c(cc2)ccc2N(CC)CC)=C(C)NC(CCCC3=O)=C13,0.0
5374,CO-ADD:0258344,16.9,N1(c2c(S3)cccc2)C3=NC=C(C(OCC)=O)C1=O,0.0
5375,CO-ADD:0258480,16.9,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2CCNC(=O)c3cc(F)c(cc3Cl)F,0.0
5376,CO-ADD:0258656,16.9,c(C(=O)c1ccc(cc1)Cl)(sc(c23)nc(c(C)c2C)C)c3N,0.0
5377,CO-ADD:0222569,16.9,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc4cccc(C)c4,0.0
5378,CO-ADD:0222282,16.9,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C(/CCCC)\c2ccccc2,0.0
5379,CO-ADD:0222833,16.9,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)N\N=C\c(cccc4[N+](=O)[O-])c4,0.0
5380,CO-ADD:0259081,16.9,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(cc3OC)cc(c3O)I)\N2,0.0
5381,CO-ADD:0219314,16.9,N1(c2c(cccc2)C=C3)C3C(C(c4ccccc4)C1C(c5ccccc5)=O)\C(\c6ccccc6)=C(/C#N)\C#N,0.0
5383,CO-ADD:0258642,16.9,C(=C\c(ccc(c1Cl)Cl)c1)(/C2=O)\Sc(c23)cccc3,0.0
5384,CO-ADD:0222264,16.89,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4ccccc4I,0.0
5385,CO-ADD:0226884,16.89,c12n(c3c(cccc3)nc1SCC(=O)Nc4cccc(OC)c4)c(nn2)CC,0.0
5386,CO-ADD:0226060,16.89,C1(=N2)N(C=CN=C1N3CC(C)CC(C)C3)C(N2CC(=O)Nc4ccc(cc4OC)OC)=O,0.0
5387,CO-ADD:0258323,16.89,s1c(c(cc2)ccc2[N+](=O)[O-])nnc1NC(=O)c3ccccc3[N+](=O)[O-],0.0
5388,CO-ADD:0226518,16.89,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)c4ccc(c(OC)c4)OC,0.0
5389,CO-ADD:0258579,16.88,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cccn3)c3)c4sc(c5c4C#N)CCCC5,0.0
5390,CO-ADD:0258493,16.88,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3ccccc3OCc4ccc(cc4Cl)Cl,0.0
5391,CO-ADD:0226534,16.88,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)c4ccc(cc4)OC,0.0
5392,CO-ADD:0225942,16.88,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)NC4CCCCC4)C2=O,0.0
5393,CO-ADD:0258621,16.88,C1(C(=O)OC(C)C)=C(C)NC(=O)NC1c(cc2)ccc2N(CC)CC,0.0
5394,CO-ADD:0284763,16.88,N1(CCC(Nc(ccc(c2)[N+](=O)[O-])c12)=O)C(C)=O,0.0
5395,CO-ADD:0278079,16.87,C(C(OC)=O)(=C1C)\C(=C\c(cc2)ccc2C(O)=O)\C(N1)=O,0.0
5396,CO-ADD:0284827,16.87,c1(c(C)nn(c2ccccc2)c1O)C(NC(CC)=O)(C(F)(F)F)C(F)(F)F,0.0
5397,CO-ADD:0218691,16.87,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(COc2ccccc2)=O,0.0
5398,CO-ADD:0218524,16.87,N(=C\c(cc1)ccc1Br)/NC(CCC(=O)Nc(cc2)ccc2CC)=O,0.0
5399,CO-ADD:0218759,16.87,c(\C=N\NC(COc1cccc(Cl)c1)=O)(cc(Br)cc2Br)c2O,0.0
5400,CO-ADD:0218287,16.87,P(OCC)(OCC)(S)=S.N1CCCCC1c(cccn2)c2,0.0
5401,CO-ADD:0283828,16.87,c1(NC(=O)c(cccc2S(=O)(=O)Nc3ccccc3)c2)sc(c4c1C#N)CCCC4,0.0
5402,CO-ADD:0283062,16.86,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(cc(Br)c(c2)OC)c2OC)c1,0.0
5403,CO-ADD:0284109,16.86,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CSc4ccccc4,0.0
5404,CO-ADD:0279125,16.86,C(=O)(c1ccc(cc1)C)Nc2c(C)cc(c(C)c2)O,0.0
5405,CO-ADD:0218773,16.86,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(CSCc2ccccc2)C(=O)N\N=C(/C)\CCCC,0.0
5406,CO-ADD:0284716,16.86,N1(C(c2ccc(cc2)Br)CC(c3ccc(cc3)C)=N1)C(=N)SC(CC(N4c5cc(Cl)cc(Cl)c5)=O)C4=O,0.0
5407,CO-ADD:0284677,16.86,P(NCCOP(c1ccccc1)(c2ccccc2)=O)(c3ccccc3)(c4ccccc4)=O,0.0
5408,CO-ADD:0284582,16.86,N1(CC(CC1C(=O)Nc(cc2)ccc2c3sc4c(ccc(C)c4)n3)O)C(=O)OC(C)(C)C,0.0
5409,CO-ADD:0284061,16.86,N1(NC(=O)c2ccc(cc2)OC)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
5410,CO-ADD:0284023,16.86,S(=O)(=O)(c(cccc1C(=O)Nc2cc(C)ccn2)c1)N3CCCCCC3,0.0
5411,CO-ADD:0283390,16.86,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)Nc3sc4c(ccc(C)c4)n3,0.0
5412,CO-ADD:0218689,16.86,C(F)(F)(F)c1cccc(c1)NC(CCC(=O)N\N=C\c(ccc(c2OC)O)c2)=O,0.0
5413,CO-ADD:0218591,16.86,N(C(C(C)C)C(=O)OCc1ccccc1)C(c2ccccc2)=O,0.0
5414,CO-ADD:0218181,16.85,N(CC(OCC)=O)(NC(=O)c(cccc1[N+](=O)[O-])c1)C(=O)c(cccc2[N+](=O)[O-])c2,0.0
5415,CO-ADD:0284103,16.85,c1(C(OCC)=O)c(cc(O)c(c23)cccc2)c3n(C)c1CSc4ccccc4,0.0
5416,CO-ADD:0259406,16.85,C(=C/c(cc1)ccc1[N+](=O)[O-])(/c(cccn2)c23)\c(cc(C)cc4)c34.Cl,0.0
5417,CO-ADD:0218508,16.85,n1c(c2cccc(Cl)c2)[nH]c(c3ccccc3)c1c4ccccc4.Cl,0.0
5418,CO-ADD:0218516,16.85,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)Nc(cc2)ccc2F,0.0
5419,CO-ADD:0218485,16.85,N1(c2ccccc2)C(=O)CSC1c3ccc(cc3)Br,0.0
5420,CO-ADD:0226784,16.85,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cc4)ccc4C)c(nn1)C(C)C,0.0
5421,CO-ADD:0284327,16.85,c1(C#N)c(c2ccccc2)cc(nc1SCC(O)CN(CC3)CCO3)c4cccs4,0.0
5422,CO-ADD:0258358,16.84,c1(cc(ccc1N(CC2)CCO2)\C=N\O)[N+](=O)[O-],0.0
5423,CO-ADD:0283087,16.84,C(=N/c1ccccc1)(/SC=C2c3ccc(c(F)c3)OC)\N2CCc4ccccc4,0.0
5424,CO-ADD:0278471,16.84,c(c1c2ccccc2)(C3c4ccc(cc4)Br)c([nH]n1)OC(N)=C3C#N,0.0
5425,CO-ADD:0226529,16.84,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCc4cccc(C)c4,0.0
5426,CO-ADD:0226514,16.84,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)c4ccc(cc4)C,0.0
5427,CO-ADD:0218202,16.84,S(=O)(=O)(Nc(cc1)ccc1C(O)=O)c(cccc2[N+](=O)[O-])c2,0.0
5428,CO-ADD:0284143,16.84,C1(C(OCCSC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCCC,0.0
5429,CO-ADD:0218677,16.84,C(F)(F)(F)c1cccc(c1)NC(CCC(=O)N\N=C\c(cc2)ccc2Br)=O,0.0
5430,CO-ADD:0218566,16.83,C(OCC)(=O)N\N=C\c1cccc(Cl)c1,0.0
5431,CO-ADD:0283697,16.83,S1(=O)(=O)c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2Nc3c1cc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
5432,CO-ADD:0283545,16.83,N1(CN(Cc2ccccc2)Cc3ccccc3)N=C(OC1=S)c4ccc(cc4)C,0.0
5433,CO-ADD:0218282,16.83,C(=O)(c1ccc(cc1)Cl)Nc(cccc2C(OC)=O)c2,0.0
5434,CO-ADD:0218736,16.83,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(c2ccccc2)=O,0.0
5435,CO-ADD:0218744,16.83,C(=O)(C\C(\C)=N/NC(=O)c1cccc(O)c1)Nc2ccccc2CC,0.0
5436,CO-ADD:0259135,16.83,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2Oc(cc3)ccc3S(=O)(=O)c4ccc(cc4)Cl)c5ccc(cc5)Cl,0.0
5437,CO-ADD:0259116,16.83,C(=C\c(ccc1c(ccc(c2C(O)=O)Cl)c2)o1)(/C(=O)NN3c4ccc(cc4)C)\C3=O,0.0
5438,CO-ADD:0284258,16.83,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Br)cc(C(=O)Nc(cc(OC)cc4[N+](=O)[O-])c4)n2,0.0
5439,CO-ADD:0225938,16.83,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)N(CC4)CCN4c5ccccc5F)C2=O,0.0
5440,CO-ADD:0226539,16.83,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)c4c(C)cc(c(C)c4)C,0.0
5441,CO-ADD:0226119,16.83,S(=O)(=O)(N(Cc1cccc(OC)c1)c(cc2)ccc2C(C)C)c3cccn(cnn4)c34,0.0
5442,CO-ADD:0226875,16.83,c12n(c3c(cccc3)nc1SCC(=O)Nc(ccc(c4C)C)c4)c(nn2)C,0.0
5443,CO-ADD:0226508,16.82,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)N(CC4)CCN4c5ccccc5F,0.0
5444,CO-ADD:0278994,16.82,n(c1C)(nnc1C(=O)NNC(=O)c2nn(cc2Cl)C)c3nonc3N,0.0
5445,CO-ADD:0218706,16.82,C(=O)(N\N=C\c1c(cccc1Cl)Cl)C(=O)Nc2ccccc2C,0.0
5446,CO-ADD:0283308,16.82,n12c(ccc(N(CC3)CCN3Cc4ccccc4)n1)nnc2C(F)(F)F,0.0
5447,CO-ADD:0218662,16.82,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NC(C(C)C)C(OC)=O,0.0
5448,CO-ADD:0218539,16.82,C(CCc1ccccc1)(NCCOc(cc2)ccc2C)=O,0.0
5449,CO-ADD:0218555,16.82,C(=C/c(cc1)ccc1[N+](=O)[O-])(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
5450,CO-ADD:0218627,16.82,[N+](=O)([O-])c1ccc(cc1)NC(=O)\C=C\c(cc2)ccc2Br,0.0
5451,CO-ADD:0259768,16.81,C(/SC(N1C)=S)(\C1=O)=C(/Sc(c23)cccc2)\N3c4ccccc4,0.0
5452,CO-ADD:0259784,16.81,C1(c2ccc(cc2Cl)Cl)=NNC(=S)N1C3CCCCC3,0.0
5453,CO-ADD:0259424,16.81,c1(NC(COC(=O)\C=C\c2ccco2)=O)sc(c3c1C(OCC)=O)CCC3,0.0
5454,CO-ADD:0259440,16.81,c1(NC(CSc2nncn2C)=O)sc3c(ccc(OC)c3)n1,0.0
5455,CO-ADD:0260009,16.81,C(F)(F)(F)c(cc(cc1C(F)(F)F)C(NCCOc2cccc(cccn3)c23)=O)c1,0.0
5456,CO-ADD:0259746,16.81,N1=C(SCC1=O)NC(CSc2oc(c3n2)cccc3)=O,0.0
5457,CO-ADD:0284371,16.81,C1(O)(C(C)(C)O)CC(ON1)c2ccc(cc2)OC,0.0
5458,CO-ADD:0284365,16.81,c(C(=O)c1ccc(cc1)Cl)(sc(c23)nc(c(C#N)c2c4ccccc4)N)c3N,0.0
5459,CO-ADD:0226548,16.81,c1(nnc2SC(CC)C(=O)Nc3cc(OC)cc(OC)c3)n2C=CN(c4ccc(cc4)F)C1=O,0.0
5460,CO-ADD:0225252,16.81,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc4cccc(CC)c4)C2=O,0.0
5461,CO-ADD:0226804,16.81,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4ccc(cc4F)F)c(nn1)C(C)C,0.0
5462,CO-ADD:0226812,16.81,C1(=N2)N(C=Cn(nc(c3ccc(cc3)C)c4)c14)C(N2CC(=O)Nc(cc5)ccc5OCC)=O,0.0
5463,CO-ADD:0279123,16.81,C(=O)(c1ccc(cc1)OC)\N=C(\C=C2)/C=C(C2=O)C,0.0
5464,CO-ADD:0218793,16.81,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c(cc3)ccc3OCC=C,0.0
5465,CO-ADD:0283340,16.81,N1(CSc(nnc(c23)c4c(cccc4)n2CCC)n3)C(=O)c(c5C1=O)cccc5,0.0
5466,CO-ADD:0284126,16.81,c12c(nc(C)nc1Sc3ccccc3)c4c(cccc4)o2,0.0
5467,CO-ADD:0279134,16.8,C(/C(C)=O)(=N/Nc1ccc(cc1Cl)Cl)\Sc2cccc(cccn3)c23,0.0
5468,CO-ADD:0277864,16.8,C1(=C(c2c(cccc2)CC13CCCC3)N=C(N4c5ccc(cc5)OC)SCC#N)C4=O,0.0
5469,CO-ADD:0277305,16.8,c12c(c(cc(Oc(c(ccc3C(C)(C)C)N4)c3)c14)NCCO)C(c(cccc5)c5C2=O)=O,0.0
5470,CO-ADD:0218389,16.8,S(=O)(=O)(c1ccc(cc1)OC)N(C)[N+](=O)[O-],0.0
5471,CO-ADD:0284597,16.8,c1(c(Br)cc(cn1)Br)NC(COC(=O)C(CC(C)C)NC(c2ccccc2)=O)=O,0.0
5472,CO-ADD:0284413,16.8,c(C#N)(c(\C(\C#N)=C\c1cccc(OC)c1OCc2ccc(cc2Cl)Cl)nn3c4ccccc4)c3N,0.0
5473,CO-ADD:0284583,16.8,C1(=NC2=O)C(=Cc(cccc3)c3N1c4ccc(cc4)C)C(N2C)=O,0.0
5474,CO-ADD:0284639,16.8,c1(C#N)c(SC)nsc1N\N=C(/C)\c2ccc(c(OC)c2)OC,0.0
5475,CO-ADD:0283096,16.8,N1(c(ccc(c2s3)nc3SC(C)C(=O)Nc4c(C)cc(cc4C)C)c2)C(=O)c5c(cccc5)C1=O,0.0
5476,CO-ADD:0279096,16.8,n1c(c2ccc(c(OC)c2)OC)[nH]c(c3c(cccc3)c4c5cc(I)cc4)c15,0.0
5477,CO-ADD:0279112,16.8,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c3c4c(cccc4)cc(cccc5)c35)\C1=O)=O,0.0
5478,CO-ADD:0277450,16.8,n1(c(c2ccccc2)c(nn1)C(=O)NNC(=O)c3nn(cc3Br)C)c4nonc4N,0.0
5479,CO-ADD:0283035,16.8,C1(C)(CCC(C2(C)CO)O)C2CCC(C)C13CCC(C)(CO)O3,0.0
5480,CO-ADD:0284019,16.79,S(=O)(=O)(N1CCC(CC1)C)c2c(C)ccc(c2)C(=O)Oc3cccc(cccn4)c34,0.0
5481,CO-ADD:0218302,16.79,[N+](=O)([O-])c1ccccc1N\N=C\c2cccc(CC=C)c2O,0.0
5482,CO-ADD:0284790,16.79,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CSc3nc(C)ccc3C#N,0.0
5483,CO-ADD:0218379,16.79,[N+](=O)([O-])\N=C(\N)/N\N=C\c(ccc(c1O)OC)c1,0.0
5484,CO-ADD:0218740,16.79,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2Br)c3cccc(cccc4)c34,0.0
5485,CO-ADD:0283934,16.79,n1(C)c(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)N(CC4)CCO4)c2)nnc1Cc5cccc(cccc6)c56,0.0
5486,CO-ADD:0218687,16.79,C(=O)(Nc(cc1)ccc1F)C\C(\C)=N\NC(COC)=O,0.0
5487,CO-ADD:0278027,16.78,C1(=Cc(cccc2)c2NC1=O)C3C4=C(CC(C)(C)CC4=O)OC(CC(C)(C)CC5=O)=C35,0.0
5488,CO-ADD:0218128,16.78,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)SCC(=O)Nc(ccc(c3Cl)Cl)c3,0.0
5489,CO-ADD:0218177,16.78,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(cc2)ccn2,0.0
5490,CO-ADD:0278043,16.78,C(/c1c(N2)ccc(OC)c1)(\C2=O)=C(\SC(N3)=S)/C3=O,0.0
5491,CO-ADD:0277923,16.78,N1(CC=C)C(C)(O)C2(OC1=O)CCCCC2,0.0
5492,CO-ADD:0218392,16.78,n1(c2)c(cccc1)cc2c3ccc(cc3)Br,0.0
5493,CO-ADD:0283824,16.78,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)NC(CC3(C)C)CC(N3)(C)C,0.0
5494,CO-ADD:0283856,16.78,C12=C(CC(c3ccc(cc3)OC)CC1=O)NC(C)=C(C#N)C2c4ccc(c(OC)c4)OC(C)=O,0.0
5495,CO-ADD:0284486,16.78,c12n(ncn1N)c(nn2)SCC(=O)N(c3c4cccc3)c5c(S4)cccc5,0.0
5496,CO-ADD:0225255,16.77,N12C(C=CC(Sc3ccccc3)=N1)=NN(CC(=O)Nc4c(OC)ccc(Cl)c4)C2=O,0.0
5497,CO-ADD:0226584,16.77,c12n(C=CN(c3ccc(c(C)c3)C)C1=O)c(nn2)SCC(=O)NCc4cccc(OC)c4OC,0.0
5498,CO-ADD:0226004,16.77,C1(=N2)N(C=CN=C1N3CCCC3)C(N2CC(=O)Nc(ccc(c4Cl)C)c4)=O,0.0
5499,CO-ADD:0226405,16.77,S(=O)(=O)(c1ccc(cc1)CC(C)C)Nc(ccc(n2c3)nn3)n2,0.0
5500,CO-ADD:0284727,16.77,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(=O)c3ccc(c(F)c3)F)F,0.0
5501,CO-ADD:0284897,16.77,c1(ccccc1NC(=O)c(cccc2NC(=O)c3cccc(OCCC)c3)c2)C(O)=O,0.0
5502,CO-ADD:0218703,16.77,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1F)C(=O)Nc2cccc(C)c2,0.0
5503,CO-ADD:0218604,16.77,C(COc(cc1)ccc1OCCCCCCCC)(=O)N\N=C\c2ccccc2Br,0.0
5504,CO-ADD:0218052,16.77,C(/C#N)(=C\c(cc1)ccc1N(C)C)\C(=O)Nc(ccc(c2C)C)c2,0.0
5505,CO-ADD:0278249,16.77,C(=C\c(cc1OC)cc(c1OC2=O)S2)(/C3=O)\Sc(c34)cccc4,0.0
5506,CO-ADD:0277984,16.76,c1(NC(=O)\C=C/C(O)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc2ccccc2,0.0
5507,CO-ADD:0218475,16.76,C(OCc1ccccc1)(=O)NC(Cc2ccccc2)C(=O)NCC(NN)=O,0.0
5508,CO-ADD:0259260,16.76,C(C(OC)=O)(=C1C)\C(=C\c2ccccc2OC)\C(N1CCOC)=O,0.0
5509,CO-ADD:0259452,16.76,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3F)\N2Cc(ccc(c45)OCO4)c5)N(CC6)CCO6.Br,0.0
5510,CO-ADD:0218035,16.76,N1(CCCOC)C(=O)c2c(c3C1=O)c(ccc2)c(cc3)N,0.0
5511,CO-ADD:0218011,16.76,C(=C\c1ccccc1OC)(/C(=O)NN2c3ccc(c(C)c3)C)\C2=O,0.0
5512,CO-ADD:0283607,16.76,c12n(ncn1)C(C=C(c3ccc(cc3)Cl)N2)c4ccc(cc4)CC,0.0
5513,CO-ADD:0284185,16.76,c1(C#N)c(c2ccccc2)cc(nc1SCC(O)CN(CC3)CCO3)c4ccccc4,0.0
5514,CO-ADD:0278441,16.76,C(C#N)(=C(SCC=C)N1)C(c2ccccc2[N+](=O)[O-])C(C1=O)C(OC)=O,0.0
5515,CO-ADD:0226109,16.76,S(=O)(=O)(N(Cc1cccc(Cl)c1)c2cc(C)cc(C)c2)c3cccn(cnn4)c34,0.0
5516,CO-ADD:0225984,16.76,n12c(ccc(c3ccccc3)n1)nnc2CCC(NCCCN(CC)c4ccccc4)=O,0.0
5517,CO-ADD:0283172,16.76,S(CCC[n+]1ccc(cc1)\C=C\c(c2)c3c([nH]2)ccc(Br)c3)(=O)(=O)[O-],0.0
5518,CO-ADD:0283028,16.76,N1(Cc2ccco2)\C(=N\c(cc3)ccc3F)\SC=C1c4ccc(cc4)CC.Br,0.0
5519,CO-ADD:0278616,16.76,c1(NC(=O)c2cnccn2)sc(c3c1C#N)CCC3,0.0
5520,CO-ADD:0278745,16.76,N(c1ccc(cc1)F)(C(c2ccc(cc2)OCCCC)C=C3Nc(cc4)ccc4F)C3=O,0.0
5521,CO-ADD:0218584,16.75,c1(Cl)c(ccc(Cl)c1)OCC(=O)Nc(cc2)ccc2I,0.0
5522,CO-ADD:0278170,16.75,s1c(COc(cc2)ccc2C3CCCCC3)nnc1N,0.0
5523,CO-ADD:0218688,16.75,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c1Cl)Cl)c1)C(=O)NCc2ccccc2,0.0
5524,CO-ADD:0218675,16.75,C(=O)(N\C(=C\c1ccccc1)\C(=O)N\N=C\c2cc(Br)ccc2OC)c3ccccc3Cl,0.0
5525,CO-ADD:0277561,16.75,N1(Cc2ccccc2)\C(=N\c(cccc3C(F)(F)F)c3)\SC=C1c(cccc4[N+](=O)[O-])c4.Br,0.0
5526,CO-ADD:0218413,16.75,N1(c2ccc(cc2)C)C(=O)c3c(c(ccc4N(CC5)CCO5)C1=O)c4ccc3,0.0
5527,CO-ADD:0218364,16.75,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)c2cccc(C)c2,0.0
5528,CO-ADD:0277666,16.75,C(=O)(Nc(cccc1C(O)=O)c1)C2C(C(=O)OCC(F)(F)C(F)F)C(CC23)C=C3,0.0
5529,CO-ADD:0218771,16.75,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CCC(=O)NCc2ccccc2)=O,0.0
5530,CO-ADD:0278123,16.75,N1(Cc(cc2)ccc2Cl)\C(=N\c(cccc3C(F)(F)F)c3)\SC=C1c4ccc(c5c4)cccc5.Br,0.0
5531,CO-ADD:0283179,16.75,C(=N/Nc(cc1)ccc1[N+](=O)[O-])(/C(=O)NC(N2)=O)\C2=O,0.0
5532,CO-ADD:0284435,16.75,C12(c3c(NC1=O)ccc(Br)c3)C(C#N)=C(N)Oc([nH]n4)c2c4c5ccccc5,0.0
5533,CO-ADD:0283100,16.75,c1(C(=O)c2ccc(cc2)F)coc(ccc(O)c3CN(CC4)CCO4)c13.Cl,0.0
5534,CO-ADD:0226070,16.75,C1(=N2)N(C=CN=C1N(C)CCC)C(N2CC(=O)Nc3cccc(Br)c3)=O,0.0
5535,CO-ADD:0279146,16.75,N1(C(=O)c(cc2)ccc2[N+](=O)[O-])c3c([C@]([H])(CN(C)CC4)[C@@]14[H])cc(C)cc3.Cl,0.0
5536,CO-ADD:0283030,16.75,c12c(ccc(OC(C)C)c1C)C(C)=C(C(=O)O2)Cc3ccccc3,0.0
5537,CO-ADD:0283046,16.75,C(c1ccc(c(OC)c1)OC)(NC(=O)\C=C\c2ccccc2)NC(=O)\C=C\c3ccccc3,0.0
5538,CO-ADD:0278330,16.75,c1(c2F)c(c(c(Sc(cc3)ccc3C)c2Sc(cc4)ccc4C)F)C(c5c(cccc5)C1=O)=O,0.0
5539,CO-ADD:0277826,16.74,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c3ccccc3Cl)\N2C4CCCC4,0.0
5540,CO-ADD:0278099,16.74,C(OC)(C(OCC)=O)(C(F)(F)F)NC(=O)N(c1cccc(C)n1)C2=NCC(C)S2,0.0
5541,CO-ADD:0277981,16.74,c1(nnc(C)s1)NC(=O)C(CC)OC(=O)C(CCSC)NC(c2ccccc2)=O,0.0
5542,CO-ADD:0278141,16.74,c1(sc(cc1C(OCC)=O)CC)NC(=O)c2cc3c(cc2NS(=O)(=O)c4ccc(cc4)C)cccc3,0.0
5543,CO-ADD:0278150,16.74,c1(NC(CSc2oc(c3n2)cccc3)=O)n(c4ccccc4)ncc1C(OCC)=O,0.0
5544,CO-ADD:0278124,16.74,N1(Cc(cc2)ccc2Cl)\C(=N\c(cccc3C(F)(F)F)c3)\SC=C1c4ccc(cc4)Br.Br,0.0
5545,CO-ADD:0259360,16.74,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2ccc(cc2)OC,0.0
5546,CO-ADD:0218408,16.74,c12n(cc(c3ccc(cc3)Br)n1)nc(c4ccc(cc4)C)s2,0.0
5547,CO-ADD:0221906,16.74,[N+](=O)([O-])c1ccc(c(Cl)c1)NC(=O)c(cc2)ccc2C(=O)Nc(cc3)c(Cl)cc3[N+](=O)[O-],0.0
5548,CO-ADD:0220907,16.74,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(=O)C2c3c(c(cccc4)c24)cccc3)c1,0.0
5549,CO-ADD:0221925,16.74,S(=O)(=O)(c(ccc(c1NC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])Cl)c1)Nc(c3)cc(cc3C(OC)=O)C(OC)=O,0.0
5550,CO-ADD:0221928,16.73,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)c(C)cc3[N+](=O)[O-],0.0
5551,CO-ADD:0221987,16.73,N(=C(/C)\c1ccc(cc1)Br)/NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
5552,CO-ADD:0218909,16.73,C(=O)(NC(C)CC)C\C(\C)=N/NC(COc1ccccc1)=O,0.0
5553,CO-ADD:0221994,16.73,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C(/C)\c2ccc(c3c2)cccc3,0.0
5554,CO-ADD:0220372,16.73,C(CNc1cccc(C)c1)(=O)N\N=C\C(\C)=C\c(cc2)ccc2\C=C(/C)\C=N\NC(CNc3cccc(C)c3)=O,0.0
5555,CO-ADD:0219345,16.73,C(F)(F)(C(F)F)Oc1ccccc1NC(=O)C(=O)N\N=C\c2ccccc2OC,0.0
5556,CO-ADD:0260124,16.72,C(=O)(Nc1ccccc1Sc2ccccc2)c3ccccc3F,0.0
5557,CO-ADD:0259588,16.72,c1(SCC(=O)c2ccc(cc2)CC)sc3c(ccc(OCC)c3)n1,0.0
5558,CO-ADD:0219336,16.72,C(/O)(\c1ccc(cc1)Cl)=C/C=N/c2ccccc2C,0.0
5559,CO-ADD:0259293,16.72,C1(N(C)C(N2)=O)C2N(C(=O)N1)C.N3(C)C(=O)NC(NC(=O)N4C)C34,0.0
5560,CO-ADD:0221882,16.72,N(C(=O)c1ccc(cc1)C)c2c(C)cc(cc2Br)Br,0.0
5561,CO-ADD:0219611,16.72,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc2cccc(C)c2,0.0
5562,CO-ADD:0221907,16.72,N1(c2ccc(cc2)O)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
5563,CO-ADD:0219659,16.72,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Cl,0.0
5564,CO-ADD:0219492,16.72,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)C(=O)Nc2ccc(cc2C)Cl,0.0
5565,CO-ADD:0220420,16.71,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O,0.0
5566,CO-ADD:0222039,16.71,[N+](=O)([O-])c1ccc(cc1)\C=N/c2ccccc2c3ccccc3\N=C/c(cc4)ccc4[N+](=O)[O-],0.0
5567,CO-ADD:0222006,16.71,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Oc(cccc3NC(=O)c(cc4)ccc4[N+](=O)[O-])c3,0.0
5568,CO-ADD:0222078,16.71,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)Nc3cccc(Cl)c3,0.0
5569,CO-ADD:0222025,16.71,c(\C=N\NC(COc(cc1)ccc1C)=O)(cc(Br)cc2I)c2O,0.0
5570,CO-ADD:0219394,16.71,N(=C\c1ccccc1OC)/NC(CCC(=O)Nc2cccc(Cl)c2)=O,0.0
5571,CO-ADD:0219577,16.71,N(C(CCC(=O)N\N=C\c1ccccc1)=O)c2ccc(cc2C)I,0.0
5572,CO-ADD:0219671,16.71,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N\N=C\c3ccccc3OCCCCC,0.0
5573,CO-ADD:0219578,16.71,C(=O)(N\N=C(/C)\CC(=O)NCc1ccccc1)C(=O)Nc(ccc(c2Cl)C)c2,0.0
5574,CO-ADD:0219654,16.71,c1(c(Cl)ccc(Cl)c1)NC(CCC(=O)N\N=C\c2cccc(Br)c2)=O,0.0
5576,CO-ADD:0220081,16.7,n1(CC(O)CN2CCCCC2)c3c(c(cc(Br)cc4)c14)cc(Br)cc3,0.0
5577,CO-ADD:0220416,16.7,c1(NCC(=O)N\N=C\c(ccc(c23)OCO2)c3)c(Br)cc(cc1Br)Br,0.0
5578,CO-ADD:0220766,16.7,N(=C(/C)\c1ccc(c2c1)cccc2)/NC(CNc3ccccc3C)=O,0.0
5579,CO-ADD:0219274,16.7,S(CCCCCCCCCC)(=O)(=O)N\N=C\c1cccc(cccc2)c12,0.0
5580,CO-ADD:0220879,16.7,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C(/C)\c(cc3)ccc3[N+](=O)[O-],0.0
5581,CO-ADD:0257533,16.7,S1(=O)(=O)c(cccc2)c2C(N\N=C/c3ccccc3OC(c4ccccc4)=O)=N1,0.0
5582,CO-ADD:0257463,16.7,N1(CN2CCCCC2)N=C(N(C)C1=S)COc3ccccc3,0.0
5583,CO-ADD:0257458,16.7,C(F)(F)(F)c(ccc(c1NC(=O)c2ccc(cc2)OC)Oc(cc3)ccc3C(C)(C)c4ccccc4)c1,0.0
5584,CO-ADD:0257475,16.7,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)NC3CCCCC3,0.0
5585,CO-ADD:0257419,16.7,C(=S)(c(cc1)cc(c1OC(c2ccccc2)=O)OC)N3CCCCC3,0.0
5586,CO-ADD:0257958,16.7,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C\c(ccc(c45)OCO4)c5,0.0
5587,CO-ADD:0257992,16.7,c12c(nnc(SCC(=O)Nc3nnc(C)s3)n1)c4c(cccc4)n2CCC,0.0
5588,CO-ADD:0259732,16.69,c1(N2CCC(CC2)C)nc(N\N=C\c(cc(Br)cc3Br)c3O)nc(Nc4cccc(C)c4C)n1,0.0
5589,CO-ADD:0257187,16.69,C1(=CC=CNC1=O)[N+](=O)[O-],0.0
5590,CO-ADD:0257747,16.69,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4OCC)OCc5ccccc5)c4)\C1=O,0.0
5591,CO-ADD:0257230,16.69,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)Br)=C(O)C(N2CCCCCC(O)=O)=O,0.0
5592,CO-ADD:0259736,16.69,C(/S\C(\C1=O)=C/c(ccc2c(cc3)cc(c34)COC4=O)o2)(=N\C(C)=O)\N1,0.0
5593,CO-ADD:0257215,16.69,n1(nnc(C(OCC)=O)c1CN(CC2)CCC2=O)c3nonc3N,0.0
5594,CO-ADD:0258573,16.69,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c2n[nH]cc2c3ccccc3)F,0.0
5595,CO-ADD:0278357,16.69,C1(=O)OC(C2O1)CCCC2,0.0
5596,CO-ADD:0284195,16.69,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2CC(O)COc3ccccc3,0.0
5597,CO-ADD:0278371,16.69,C(C)(\C(\C=CC1=O)=N\OC(=O)Nc(cc2)ccc2Cl)=C1C,0.0
5598,CO-ADD:0277437,16.69,N1(C2c3cccs3)C(S\C(=C\c(cc(Br)c(c4)OC)c4OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
5599,CO-ADD:0278429,16.68,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c(cc3)ccc3C4CCCCC4)\N2CCO.Br,0.0
5600,CO-ADD:0278870,16.68,c1(NC(CSc2nnc(C)s2)=O)sc(c3c1C(OCC)=O)CCC3,0.0
5601,CO-ADD:0277439,16.68,N1(C2c3cccs3)C(S\C(=C\c4cc(Br)ccc4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
5602,CO-ADD:0278474,16.68,c1(OC(N)=C(C2c3cc(OC)ccc3OC)C#N)c2c(n[nH]1)CCC,0.0
5603,CO-ADD:0284782,16.68,c1(nnc(SCC(=O)Nc(cc2)ccc2NC(C)=O)s1)NS(C)(=O)=O,0.0
5604,CO-ADD:0283912,16.68,n1nc(c2n1CNc3nonc3c4nocn4)cccc2,0.0
5605,CO-ADD:0284432,16.68,c12c(ncnc1SCC(c3ccccc3)=O)[nH]cn2,0.0
5606,CO-ADD:0284305,16.68,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C(\CC3)/CCC3C(C)(C)C,0.0
5607,CO-ADD:0278469,16.68,c(c1c2ccccc2)(C3c(cc4)ccc4N(C)C)c([nH]n1)OC(N)=C3C#N,0.0
5608,CO-ADD:0278533,16.68,c1(C(OCC)=O)[nH]c(c(\C(\Br)=C\Br)c1C)C,0.0
5609,CO-ADD:0284778,16.68,S(=O)(=O)(c1ccc(cc1)C)\C=C(/Cl)\Cl,0.0
5610,CO-ADD:0284205,16.68,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(=O)N\N=C\c3ccc(cc3Cl)Cl,0.0
5611,CO-ADD:0257849,16.68,N1(C2c3ccccc3)C(S\C(=C\c(cc(n4c5ccc(cc5)Cl)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
5612,CO-ADD:0283797,16.67,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)Nc(c(Cl)ccc4C(F)(F)F)c4)c1Br,0.0
5613,CO-ADD:0257716,16.67,C(/C#N)(\C(N)=O)=C/c(cc1I)cc(c1OCC=C)I,0.0
5614,CO-ADD:0283053,16.67,N1(c2ccc(cc2)F)C(=O)c(c3C1=O)ccc(C(=O)c(cccc4[N+](=O)[O-])c4)c3,0.0
5615,CO-ADD:0284025,16.67,S(=O)(=O)(N1CCCC1)c(ccc(c2C(=O)Nc3ccccc3C(O)=O)Cl)c2,0.0
5616,CO-ADD:0284058,16.67,n(c(c1)c2ccc1C(O)=O)c(c3ccc(cc3)F)c(n2)c(cc4)ccc4c5ccccc5,0.0
5617,CO-ADD:0278599,16.67,C(C(OCC)=O)(Nc1cc(on1)C)(C(F)(F)F)NS(c2ccccc2)(=O)=O,0.0
5618,CO-ADD:0278690,16.67,c(C(c1ccccc1)=O)(c(C)c(c2c3C)cc4c3OC(C=C4C)=O)o2,0.0
5619,CO-ADD:0283555,16.67,C(c1ccccc1)(CC2)(CCN2Cc(cccc3C(N)=O)c3)C(OCC)=O,0.0
5620,CO-ADD:0284517,16.67,c12c(c(no1)ccc3)c3c4c(c(ccc5)no4)c25,0.0
5621,CO-ADD:0259206,16.67,C1(C#N)(C#N)C(c2ccc(cc2)C)C3C(C(C#N)=C1N)=CCCC3,0.0
5622,CO-ADD:0258911,16.67,[N+](=O)([O-])c(cc1)ccc1C(=O)OC(c2ccccc2)CN(CC)CC,0.0
5623,CO-ADD:0258743,16.67,C1(=CN(C(=O)N1C)C)S(=O)(=O)c2ccc(cc2)C,0.0
5624,CO-ADD:0257268,16.67,c1(C(NC)c2ccccc2[N+](=O)[O-])nnnn1c3cccc(Cl)c3,0.0
5625,CO-ADD:0284447,16.66,N1(C(=O)c2cccc(N)c2)C(O)(c3ccc(cc3)F)CC(C(F)(F)F)=N1,0.0
5626,CO-ADD:0283826,16.66,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)C(=O)NC(CC2(C)C)CC(N2)(C)C,0.0
5627,CO-ADD:0284570,16.66,S(=O)(=O)(Nc(cccc1C(O)=O)c1)c(c(Cl)cc(c2C(=O)Nc(c(C)ccc3[N+](=O)[O-])c3)Cl)c2,0.0
5628,CO-ADD:0283699,16.66,[N+](=O)([O-])c1c(N)ccc(C(O)=O)c1,0.0
5629,CO-ADD:0283436,16.66,n1(c2ccccc2)c(c3ccccc3)nnc1Sc(cc4)c(cccn5)c5c4[N+](=O)[O-],0.0
5630,CO-ADD:0283557,16.66,C(=C(/C)\Nc1cc(C)ccc1Cl)/C(=O)c(cccn2)c2,0.0
5631,CO-ADD:0278202,16.66,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
5632,CO-ADD:0279202,16.66,N1(C(=O)c2ccc(cc2)Cl)N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
5633,CO-ADD:0278283,16.66,N1(c2cccc(Cl)c2Cl)C(=O)\C(=C\c3c(OCC)ccc(cccc4)c34)\C(NC1=S)=O,0.0
5634,CO-ADD:0278549,16.66,c1(C(OCCSCC(=O)Nc2cccc(cccc3)c23)=O)cc(c4o1)cccc4,0.0
5635,CO-ADD:0283332,16.66,c12c(nnc(SCC(=O)Nc(ncc3[N+](=O)[O-])s3)n1)c4c(cccc4)n2Cc5ccccc5,0.0
5636,CO-ADD:0283758,16.66,C12(C(F)(F)F)OC(c(ccc3N(C)C)c(c3c4N(C)C)c1cc4)(c(ccc5N(C)C)c(c5c6N(C)C)c2cc6)C(F)(F)F,0.0
5637,CO-ADD:0278693,16.66,C(/C(=O)c1c2cccc1)(\C2=O)=C\c3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
5638,CO-ADD:0279180,16.66,s1c(CCCCCCCCCCC)nnc1N,0.0
5639,CO-ADD:0283416,16.66,N1(c2ccc(cc2)O)CC(CC1=O)C(O)=O,0.0
5640,CO-ADD:0284105,16.65,c1(C(OCC)=O)c(cc(cc2)OC(C)=O)c2n(c3ccccc3)c1CSc4ccccc4,0.0
5641,CO-ADD:0259228,16.65,C1(C#N)=C(N)OC(=C2C1c3ccccc3[N+](=O)[O-])CCCC2=O,0.0
5642,CO-ADD:0260045,16.65,N1(c2ccccc2C(OCC)=O)C(=O)C(C(C1=O)C3(C)c4c5cccc4)C5(C)c(c36)cccc6,0.0
5643,CO-ADD:0277372,16.65,c12c(c(cc(Oc3c(ccc(C)c3)N4)c14)N(CC5)CCO5)C(c6c(cccc6)C2=O)=O.O,0.0
5644,CO-ADD:0284410,16.65,c1(Sc2[nH]c(c3n2)cccc3)c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0.0
5645,CO-ADD:0277422,16.65,C1(O)(CC(=O)c(ccc(c23)OCCO2)c3)c4c(NC1=O)cccc4,0.0
5646,CO-ADD:0283487,16.65,c1(nonc1CC(O)=O)[N+](=O)[O-],0.0
5647,CO-ADD:0283552,16.65,N1(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C(=C\c(cc4OC)cc(c4OC)OC)\C1=O,0.0
5648,CO-ADD:0283417,16.65,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(CSc4sc(c5n4)cccc5)=O)n1,0.0
5649,CO-ADD:0284145,16.65,N(Cc1ccccc1)(C2(CCCCC2)C(=O)Nc3ccccc3)C(=O)c4ccc(c5n4)cccc5,0.0
5650,CO-ADD:0283362,16.65,c1(C(c2ccccc2)=O)oc(c3c1N)ccc(Br)c3,0.0
5651,CO-ADD:0283420,16.65,C(=C\c1ccccc1OCc2ccccc2F)(/C(=O)NC(N3)=S)\C3=O,0.0
5652,CO-ADD:0284510,16.64,N(CCc(c12)c3c(cccc3)[nH]1)(C2c4ccc(cc4)OCC)C(=O)c5ccccc5Cl,0.0
5653,CO-ADD:0284248,16.64,c1(SCC(=O)c(cc2)ccc2c(cc3)ccc3C(=O)CSc4c(ccc(CC(C)C)n4)C#N)c(ccc(CC(C)C)n1)C#N,0.0
5654,CO-ADD:0284226,16.64,n1(C(=O)c2ccc(cc2)Cl)c(C)c(c(C)n1)Cl,0.0
5655,CO-ADD:0258940,16.64,c1(\C=N\NC(CCC(=O)Nc2cccc(C)c2)=O)cc(OC)ccc1O,0.0
5656,CO-ADD:0278903,16.64,N1(C(=O)c2ccc(c3c2)cccc3)c4c([C@]([H])(CN(C)CC5)[C@@]15[H])cc(C)cc4.Cl,0.0
5657,CO-ADD:0278367,16.64,N(c1c(N2C(CC)=O)cccc1)(C2c(cc3)ccc3N(C)C)S(=O)(=O)c4ccc(cc4)C,0.0
5658,CO-ADD:0278778,16.64,n(n(Cc(ccc(c1Cl)Cl)c1)nn2)c2c3ccccc3,0.0
5659,CO-ADD:0278214,16.64,S1(=O)(=O)c(cccc2)c2C(N(CC3)CCN3C(C(C)C)=O)=N1,0.0
5660,CO-ADD:0283971,16.64,C1(C(OCCSCC)=O)=C(C)NC(=C2C1c3ccc(c(Cl)c3)Cl)CCCC2=O,0.0
5661,CO-ADD:0283433,16.64,c1(SCC(=O)Nc(cc2)ccc2OC)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
5662,CO-ADD:0283763,16.64,c12n(ncn1N)c(nn2)SCC(=O)Nc3nnc(SCC(=O)Nc(ccc(c4Cl)Cl)c4)s3,0.0
5663,CO-ADD:0278302,16.64,S(=O)(=O)(N(CC)CC)c1c(Br)ccc(c1)C(=O)Oc(cccc2c3cnc(c4n3)cccc4)c2,0.0
5664,CO-ADD:0278326,16.63,n12c(nc(cc1C(F)(F)F)c3cccs3)cc(C(=O)NNC(=O)c4nn(cc4[N+](=O)[O-])C)n2,0.0
5665,CO-ADD:0278167,16.63,s1c(COc(cc(C)cc2C)c2)nnc1N,0.0
5666,CO-ADD:0277572,16.63,C(C#N)(C(c1ccc(cc1)OCC)CC(N2)=O)=C2SCC(OCc3ccccc3)=O,0.0
5667,CO-ADD:0277309,16.63,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(c4c3)OCO4)c5sc(c6c5C#N)CCCC6,0.0
5668,CO-ADD:0260035,16.63,N12C(=NCC1)SC=C2c3ccc(c(F)c3)OC.Br,0.0
5669,CO-ADD:0277608,16.63,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)SC(=N)NC(N)=N,0.0
5670,CO-ADD:0277411,16.63,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(ccc4c(cccc5C(F)(F)F)c5)o4)\C1=O,0.0
5671,CO-ADD:0278890,16.63,C12(C(C)NCc(ccc(c34)OCO3)c4)CC(CC5C1)CC(C5)C2,0.0
5672,CO-ADD:0283429,16.63,N1C(=O)\C(\NC1=S)=C\c2cccc(c2)OCc(cc3)ccc3F,0.0
5673,CO-ADD:0278666,16.63,S(c1ccccc1)(=O)(=O)c2c(O)cc(c(c2C)NS(=O)(=O)c3ccc(cc3)C)C,0.0
5674,CO-ADD:0278772,16.63,c(C#N)(c(\C(\C#N)=C\c1cc(Br)cc(Br)c1OC(C)C)nn2c3ccccc3)c2N,0.0
5675,CO-ADD:0278596,16.63,C(CCCCCCC)(=O)c1ccc(cc1)CCc(cc2)ccc2C(CCCCCCC)=O,0.0
5676,CO-ADD:0277837,16.63,C(CSc1cccc(cccn2)c12)(=O)N\N=C\C(CCC=C3)C3,0.0
5677,CO-ADD:0277853,16.62,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c5cc(OC)ccc5OC)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
5678,CO-ADD:0259172,16.62,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(cc3)F)\N2CCc4ccccc4.Br,0.0
5679,CO-ADD:0258796,16.62,C(=O)(N\N=C\c1ccc(C)o1)c2cccs2,0.0
5680,CO-ADD:0258828,16.62,c(C#N)(c1c2ccccc2)c(SCC#N)nc(N)c1C#N,0.0
5681,CO-ADD:0283757,16.62,n1(CC)c2c(nc1c3ccco3)c4c(cccc4)c(cccc5)c25,0.0
5682,CO-ADD:0283534,16.62,n1(nnc(C(OCC)=O)c1CSc(nnc(c23)c4c(cccc4)n2Cc5ccccc5)n3)c6nonc6N,0.0
5683,CO-ADD:0278671,16.62,c1(C#N)c2c(sc1\N=C\c(ccc3c(cc4)c(C)c(c4[N+](=O)[O-])C)o3)CCC2,0.0
5684,CO-ADD:0283560,16.62,n1(c2ccccc2)nnnc1SCCBr,0.0
5685,CO-ADD:0278615,16.62,c1(C(OCC)=O)c2c(n(CCCC)c1C)ccc(O)c2CN(CC3)CCO3,0.0
5686,CO-ADD:0278209,16.61,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
5687,CO-ADD:0278800,16.61,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(ccc4c5ccccc5C(O)=O)o4)\C1=O,0.0
5688,CO-ADD:0277854,16.61,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C/c5c(OCC)ccc(cccc6)c56)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
5689,CO-ADD:0260018,16.61,C(=O)(Nc1ccc(c2n1)cccc2)c3ccccc3O,0.0
5690,CO-ADD:0277863,16.61,c12c(sc(COC(C)(C)C3)c13)nc(SC(C)C)nc2SC(C)C,0.0
5691,CO-ADD:0278993,16.61,n(c1C)(nnc1C(=O)NNC(=O)c2nn(cc2I)C)c3nonc3N,0.0
5692,CO-ADD:0278685,16.6,c(C(=S)NC=N1)(ncn2CN3CCCCC3)c12,0.0
5693,CO-ADD:0283695,16.6,C(O)(=O)CC(CN)c1ccccc1.Cl,0.0
5694,CO-ADD:0284568,16.6,c1(NCc2nc(c3n2Cc4ccccc4)cccc3)nc(c5n1Cc6ccccc6)cccc5,0.0
5695,CO-ADD:0284608,16.6,c12c(c(cc(Oc3c(ccc(Cl)c3)N4)c14)N(CC5)CCO5)C(c(cccc6)c6C2=O)=O,0.0
5696,CO-ADD:0278247,16.6,C(=CC(\C=C\c1cccc(OC)c1OC)=NC2=O)(C(F)(F)F)N2,0.0
5697,CO-ADD:0278582,16.6,N1(c2cccc(OCC)c2)C(=O)C(CC1=O)S\C(\N)=N\NC(C)=O,0.0
5698,CO-ADD:0278606,16.6,C1(C(=O)OCc(ccc(c23)OCO2)c3)=C(C)NC(NC1c4cccc(OC)c4OC)=O,0.0
5699,CO-ADD:0277599,16.6,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)F)\N2CCO.Br,0.0
5700,CO-ADD:0277647,16.6,N(C(=O)COC(=O)C(CCCC)NC(c1ccccc1)=O)(c2c3cccc2)c4c(S3)cccc4,0.0
5701,CO-ADD:0259391,16.6,C(F)(F)(COC(=O)C1CC=CCC1C(=O)Nc(cccc2C(O)=O)c2)C(F)F,0.0
5702,CO-ADD:0260040,16.6,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c4cccc(OC)c4OCc5ccccc5Cl)\C1=O,0.0
5703,CO-ADD:0260000,16.6,N1(c2ccccc2)C(=O)c3c(N=C1SC\C=C\c4ccccc4)cccc3,0.0
5704,CO-ADD:0259417,16.6,c12c(nnc(SC(CC)C(=O)Nc3sc(c4c3C(OCC)=O)CCCC4)n1)c5c(cccc5)n2CC=C,0.0
5705,CO-ADD:0257823,16.59,n12c(S\C(=C\c3cccn3c(cc4)ccc4[N+](=O)[O-])\C1=O)nc(cc(C)c(C)c5)c25,0.0
5706,CO-ADD:0257779,16.59,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(cc3)ccc3C(C)C)\N2,0.0
5707,CO-ADD:0257979,16.59,N1(c(ccc(c2C(=O)NNC(c3ccccc3)=O)Cl)c2)C(=O)c(c4C1=O)cccc4,0.0
5708,CO-ADD:0257819,16.59,n(Cc1ccccc1Cl)(c2c(c3\C=C(/C#N)\c4[nH]c(c5n4)cccc5)cccc2)c3,0.0
5709,CO-ADD:0284475,16.59,C(=O)(c1ccccc1C)Nc2cccc(n2)NC(=O)c3ccccc3C,0.0
5710,CO-ADD:0260081,16.59,C1([N+](=O)[O-])=C(NCc(cc2)ccc2C(C)C)c3c(cccc3)OC1=O.[Na+],0.0
5711,CO-ADD:0259467,16.59,C(C(=O)c1ccc(cc1)OC)(C2c3ccccc3)=C(O)C(N2c4cccc(c4)C(O)=O)=O,0.0
5712,CO-ADD:0259299,16.59,c1(c(ccc(c1)[N+](=O)[O-])Nc(ccc(c2I)C)c2)[N+](=O)[O-],0.0
5713,CO-ADD:0257476,16.59,C(COc(cc1)ccc1C2CCCCC2)(=O)Nc(cc3)ccc3NC(COc(cc4)ccc4C5CCCCC5)=O,0.0
5714,CO-ADD:0257500,16.59,N(/NC(COc1ccccc1)=O)=C(\c2ccccc2)/C=C/c3ccccc3,0.0
5715,CO-ADD:0257436,16.59,N1(c2cccc(F)c2)C(=O)\C(\SC1=S)=C\c(ccc3c(ccc(c4[N+](=O)[O-])Cl)c4)o3,0.0
5716,CO-ADD:0283604,16.59,n1c(C)ccc(cccc2OCCNC(C)=O)c12,0.0
5717,CO-ADD:0284834,16.59,c12c(ccc(c1)[N+](=O)[O-])O\C(=C\COc3ccc(c4c3Br)cccc4)\C2N(CC5)CCO5,0.0
5718,CO-ADD:0283922,16.59,C(=O)(NCc1ccccc1OC)C2CCCCC2C(O)=O,0.0
5719,CO-ADD:0257796,16.59,N1(N(C)C)\C(=N\c2ccccc2)\S\C(=C/c3c(OC)ccc(cccc4)c34)\C1=O,0.0
5720,CO-ADD:0258625,16.58,C1(C(=O)OC2CCCC2)=C(C)NC(NC1c3cccc(OC)c3)=O,0.0
5721,CO-ADD:0258001,16.58,c1(NC(CSc2nncn2C)=O)nnc(C)s1,0.0
5722,CO-ADD:0278104,16.58,N1C(=O)C(F)=CN(CC=C)C1=O,0.0
5723,CO-ADD:0278016,16.58,N1(CN(CC2)CCN2C(OCC)=O)c(cccc3)c3\C(=N/c(cc4)ccc4OC)\C1=O,0.0
5724,CO-ADD:0233511,16.58,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cccc4OC(=O)c5ccccc5Br)c4,0.0
5725,CO-ADD:0277888,16.58,N1(CCC(=O)[O-])C(C)(O)C(OC1=O)(C)CC\C=C(/C)\C.[Na+],0.0
5726,CO-ADD:0277713,16.58,c1(C#N)c2c(sc1\N=C\c(cc3OC)cc(c3OCC)I)CCCC2,0.0
5727,CO-ADD:0234715,16.58,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(CNC(=O)c3cccc(F)c3)=O,0.0
5728,CO-ADD:0259502,16.58,C(=O)(Nc1cccc(SC)c1)c2ccccc2C(O)=O,0.0
5729,CO-ADD:0259518,16.58,N1=C(NC(C)=O)S\C(=C\c2ccccc2)\C1=O,0.0
5730,CO-ADD:0236430,16.57,N1(c(cc2)ccc2C(O)=O)C(=O)CC(N3CCCCC3)C1=O,0.0
5731,CO-ADD:0234127,16.57,C(=O)(N\N=C\c1ccccc1O)c2ccco2,0.0
5732,CO-ADD:0260176,16.57,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2C(CCc3ccccc3)=O,0.0
5733,CO-ADD:0236380,16.57,C(=N/c(ccc(c1Cl)C)c1)(/c(cccc2)c23)\C=C(C3=O)O,0.0
5734,CO-ADD:0260164,16.57,N1\C(=N/N=C(\C)/c2ccc(cc2)Br)\SC(CC)C1=O,0.0
5735,CO-ADD:0259266,16.57,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)Br)n(c3c1S(CCC)(=O)=O)cccc3C,0.0
5736,CO-ADD:0234793,16.57,N1(CC(N(OC)C1(C)C)=O)C(c2ccccc2)=O,0.0
5737,CO-ADD:0234726,16.56,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3ccco3)=O,0.0
5738,CO-ADD:0260202,16.56,c(CC(NC(OCC(C)C)=O)C(=O)Nc(cc(C)cc1C)c1)(c2c([nH]3)cccc2)c3,0.0
5739,CO-ADD:0231631,16.56,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3Br)nc(Nc(cc4)ccc4OC)n1,0.0
5740,CO-ADD:0236857,16.56,s1c(C)nnc1SCC(=O)Nc(cc2)ccc2C(C)C,0.0
5741,CO-ADD:0236136,16.56,C(C#N)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
5742,CO-ADD:0231626,16.56,c1(C(=O)N\N=C\c(ccc(c2Br)O)c2)nn(c(c3ccccc3)n1)c4ccccc4,0.0
5743,CO-ADD:0233568,16.56,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(cc2)ccc2Br,0.0
5744,CO-ADD:0234515,16.56,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3Br)nc(Nc4ccccc4)n1,0.0
5745,CO-ADD:0229769,16.56,C1(NC(=O)C2=Cc3c(OC2=O)ccc(OC)c3)=C(C)N(N(c4ccccc4)C1=O)C,0.0
5746,CO-ADD:0233206,16.56,N1(C(c2ccccc2)CC(O)=O)C(=O)c3c(cc(cc3)F)C1=O,0.0
5747,CO-ADD:0234273,16.56,C(=N\NC(CNC(=O)c1cccc(F)c1)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
5748,CO-ADD:0234266,16.56,C(=O)(NCC(=O)N\N=C\c(cc1)ccc1C)c2ccco2,0.0
5749,CO-ADD:0234799,16.56,C(c1ccccc1)(=O)NC(CCSC)C(=O)OCC(=O)Nc(cc2)ccc2C(C)=O,0.0
5750,CO-ADD:0234887,16.55,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3ccco3)=O,0.0
5751,CO-ADD:0234684,16.55,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
5752,CO-ADD:0234653,16.55,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O,0.0
5753,CO-ADD:0233161,16.55,c1(scc(c2ccc(cc2)C)n1)NC(=O)c(cccc3[N+](=O)[O-])c3,0.0
5754,CO-ADD:0233754,16.55,C(=O)([C@H]1CCCN1)N(CC2)CCC2(C)c(ccn3)o3.Cl,0.0
5755,CO-ADD:0227531,16.55,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c(cc2)ccc2OCC,0.0
5756,CO-ADD:0236411,16.55,N1(c(cc2)ccc2C(OCCCCCCC)=O)C(=O)c3c(cc(c(Cl)c3)Cl)C1=O,0.0
5757,CO-ADD:0234184,16.55,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c3ccccc3Br,0.0
5758,CO-ADD:0236830,16.55,C1(=C(C)NC(NC1=O)=O)S(=O)(=O)NCC2CCCO2,0.0
5759,CO-ADD:0236262,16.55,S(=O)(=O)(N(C)CCc1ccccc1)c2cccc3c2cccc3S(=O)(=O)N(C)CCOc4ccccc4,0.0
5760,CO-ADD:0234254,16.54,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C(/CCCC)\c2ccccc2,0.0
5761,CO-ADD:0234244,16.54,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3ccccc3Br,0.0
5762,CO-ADD:0229832,16.54,C(=O)(Nc(cc1)ccc1OCC)CCN(CC2)CCN2C,0.0
5763,CO-ADD:0229381,16.54,S(=O)(=O)(c1ccc(cc1)NC(=S)NC(=O)c2ccco2)Nc3cc(on3)C,0.0
5764,CO-ADD:0229312,16.54,c(cc1Cl)(c(Cl)cc1C(=O)c2ccc(cc2)C)C(=O)c3ccc(cc3)C,0.0
5765,CO-ADD:0229514,16.54,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/NNc3cccc(Cl)c3,0.0
5766,CO-ADD:0229171,16.54,[N+](=O)([O-])c1ccc(cc1)Oc2ccc(cc2OC)\C=N\OC,0.0
5767,CO-ADD:0227419,16.54,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(ccc(c3Br)OC)c3,0.0
5768,CO-ADD:0231744,16.54,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(cc(Br)c(c4Br)O)c4O,0.0
5769,CO-ADD:0236110,16.54,c12c(C(Nc(ccc(OC)c3)c13)(C)C)s[s+]c2SC(CCC)=O.[Cl-],0.0
5770,CO-ADD:0236495,16.54,c(sc(c1c2ccc(cc2)C)c(cc3)ccc3[N+](=O)[O-])(NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
5771,CO-ADD:0236522,16.54,C(=C/c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3OC(=O)c(cc4OC)cc(c4OC)OC,0.0
5772,CO-ADD:0229383,16.54,c1(c2ccccc2Br)oc(c3n1)ccc(N)c3,0.0
5773,CO-ADD:0227488,16.54,c1(ccc(\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C\c3cccs3)o1)c4cc(Cl)ccc4Cl,0.0
5774,CO-ADD:0229132,16.53,c1(OC)c(OC)cc(cc1OC)\C=N\NC(=O)c2ccc(cc2)OCCCCCCCCCC,0.0
5775,CO-ADD:0236066,16.53,C(=N/c1ccc(cc1[N+](=O)[O-])OC)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
5776,CO-ADD:0236914,16.53,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
5777,CO-ADD:0236063,16.53,c1(\C=N\c(cc2)ccc2NC(C)=O)c3c([nH]c1C)cccc3,0.0
5778,CO-ADD:0227099,16.53,C12(c3c(NC1=O)ccc(Br)c3)C(C#N)=C(N)OC(C=C(C)OC4=O)=C24,0.0
5779,CO-ADD:0234058,16.53,N1(c2cccc(C)c2)C(=O)C=CC1=O,0.0
5780,CO-ADD:0227576,16.53,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N/NC(COc3ccc(cc3Br)Cl)=O,0.0
5781,CO-ADD:0227921,16.53,C12(c3c(NC1=O)ccc(Br)c3)C(C#N)=C(N)OC(C)=C2C(OC)=O,0.0
5782,CO-ADD:0227975,16.52,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(cc3)ccc3C(O)=O,0.0
5783,CO-ADD:0227780,16.52,C1(C#N)=C(N)\C(\SC1=N)=C\c(cc2)ccn2.Cl,0.0
5784,CO-ADD:0229119,16.52,c(\C=N\Nc(cc1)ccc1C(O)=O)(cc(I)cc2I)c2O,0.0
5785,CO-ADD:0229866,16.52,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(cc3)ccc3F)n2)N4CCCCC4,0.0
5786,CO-ADD:0229154,16.52,c(NC(=O)C(F)(F)F)(s1)c(C(OCC)=O)c(c1NC(=O)C(F)(F)F)C(OCC)=O,0.0
5787,CO-ADD:0229074,16.51,C(=O)(c1ccc(cc1)OC)Nc(cccc2C(=O)N\N=C\c3ccc(cc3OC)OC)c2,0.0
5788,CO-ADD:0231674,16.51,c1(OCC(=O)N\N=C\c(cc(Cl)cc2Br)c2O)c(OC)cc(cc1Br)Br,0.0
5789,CO-ADD:0227058,16.51,c(C(=O)c1ccc(cc1)CC)(sc(c23)nc(cc2C(F)(F)F)c4ccccc4)c3N,0.0
5790,CO-ADD:0227715,16.51,C(=S)(Oc(cc1)ccc1C(=O)Nc2ccccc2Cl)N(CC3)CCO3,0.0
5791,CO-ADD:0227148,16.51,C12c3c(cccc3)C(CC1C(=O)Nc4ccccc4OC)c(cccc5)c25,0.0
5792,CO-ADD:0227471,16.51,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2OC)cc(c2O)OC)=C/c3cccs3,0.0
5793,CO-ADD:0229861,16.51,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(=O)N3CCCCC3)=O,0.0
5794,CO-ADD:0229902,16.51,C(c1ccccc1)(OC(C)=O)(CC2)C(C)CN2C3CCCCC3,0.0
5795,CO-ADD:0236038,16.51,c1(Nc(cc2)ccc2C)nc(Cl)nc(NCCN(CC3)CCO3)n1,0.0
5796,CO-ADD:0231319,16.51,N(/c1cccc(Cl)c1)=C\c(cc2)ccc2OCc3cccc(Cl)c3,0.0
5797,CO-ADD:0229604,16.51,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc5c6ccccc6[N+](=O)[O-])o5,0.0
5798,CO-ADD:0227811,16.51,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(cc4OC)OC)c3C#N)C#N,0.0
5799,CO-ADD:0227505,16.51,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N/NC(COc3cc(C)ccc3C(C)C)=O,0.0
5800,CO-ADD:0227967,16.51,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3ccc(cc3OC)Br)=O)o1,0.0
5801,CO-ADD:0233458,16.51,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c4cc(Br)cc(Br)c4OC(=O)c(ccc(c56)OCO5)c6,0.0
5802,CO-ADD:0233454,16.5,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2c(C)cccc2C)=O)c(cc3OC)cc(c3OC)OC,0.0
5803,CO-ADD:0258848,16.5,N1C(c(cc2OC)cc(c2OC)Br)SCC1C(O)=O,0.0
5804,CO-ADD:0258721,16.5,[N+](=O)([O-])c1cc(ccc1Sc2nnc(C)s2)\C=N\c(ccc(c3s4)nc4SCC(=O)N(CC5)CCO5)c3,0.0
5805,CO-ADD:0258694,16.5,C12(c3c(cccc3)C(=NN1c4ccccc4)c5cc(C)ccc5C)SC(=NN2c6ccccc6C)C(C)=O,0.0
5806,CO-ADD:0227660,16.5,c1(sc(cc1Cl)Cl)c2c3c(CCCC3)nc(N)c2C#N,0.0
5807,CO-ADD:0234215,16.5,c1(c(OC)cc(c(\C=N\NC(COc(cc2)c(Br)cc2[N+](=O)[O-])=O)c1)OC)[N+](=O)[O-],0.0
5808,CO-ADD:0234219,16.5,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cccc2OC(=O)c3cccc(Br)c3)c2,0.0
5809,CO-ADD:0233205,16.5,N1(C(c2ccccc2)CC(O)=O)C(=O)c3c(cc(cc3)Br)C1=O,0.0
5810,CO-ADD:0260134,16.5,c1(ccc(C)o1)C(=O)Nc2ccccc2OCC,0.0
5811,CO-ADD:0259614,16.5,S1(=O)(=O)c(cccc2)c2C(N(CCO)N)=N1,0.0
5812,CO-ADD:0259287,16.5,c1(nnc(\C=C\c2ccccc2)s1)NC(=O)c(ccc(c3Cl)Cl)c3,0.0
5813,CO-ADD:0258661,16.5,n1c(c2ccc(c(O)c2)OC)[nH]c(c3ccccc3)c1c4ccccc4,0.0
5814,CO-ADD:0260179,16.5,c1(c(cc2)ccc2C(O)=O)ccc(\C=N\NC(=O)c3cccc(O)c3)o1,0.0
5815,CO-ADD:0227722,16.5,N1C(=O)\C(\SC1=S)=C/C=C/C=C/c(cc2)ccc2[N+](=O)[O-],0.0
5816,CO-ADD:0233780,16.5,C(=O)([C@@H](N)CC(O)=O)N(CC1)CCC1(C)c2sccn2.Cl,0.0
5817,CO-ADD:0259621,16.5,N1(c(cc2)ccc2N(CC)CC)C(=O)\C(\SC1=S)=C/c(cccn3)c3,0.0
5818,CO-ADD:0258739,16.5,C(=CNC(N1)=O)(NC(=O)c2ccccc2c3ccccc3C(O)=O)C1=O,0.0
5819,CO-ADD:0259205,16.5,c1(OC(N)=C(C2c3ccccc3F)C#N)c2c(n[nH]1)C,0.0
5820,CO-ADD:0258837,16.49,c1(ccn(C)n1)C(=O)N\N=C(/c2ccccc2)\C=C\c3ccccc3,0.0
5821,CO-ADD:0259229,16.49,C1(C#N)=C(N)OC(=C2C1c3cccc(cccc4)c34)CCCC2=O,0.0
5822,CO-ADD:0260108,16.49,C1(=O)NCCSC1CC(=O)Nc(cc2)ccc2OCC,0.0
5823,CO-ADD:0277728,16.49,N1(c2c(OC)ccc(C(C)=O)c2)C(=O)C(C3C1=O)C4C=CC3CC4,0.0
5824,CO-ADD:0234136,16.49,[N+](=O)([O-])c1ccc(cc1N)NCCCCN,0.0
5825,CO-ADD:0259327,16.49,C12(\C=C\c(cc3)ccc3N(C)C)N(CCC(=O)N1)c4c(cc(cc4)C)C2(C)C,0.0
5826,CO-ADD:0258807,16.49,C12(c3c(cccc3)C(=NN1c4ccccc4)c5cc(C)ccc5C)SC(=NN2c6cccc(Cl)c6)C(OCC)=O,0.0
5827,CO-ADD:0259263,16.49,C(C(OCC)=O)(=C1C)\C(=C\c2cc(Br)ccc2OC)\C(N1c3ccc(cc3)C)=O,0.0
5828,CO-ADD:0233616,16.49,n1c[nH]nc1\N=C\c2ccccc2O,0.0
5829,CO-ADD:0260199,16.49,C12c(cccc3)c3C(C(CCC)C1C(=O)Nc4ccccc4)c(cccc5)c25,0.0
5830,CO-ADD:0233142,16.49,c12c(n(c(S)n1)CCCCCC)C(NC(=O)N2C)=O,0.0
5831,CO-ADD:0259631,16.49,N1(CNc2ccccc2C(OC)=O)C(=S)OC(c3ccc(cc3Cl)Cl)=N1,0.0
5832,CO-ADD:0229818,16.49,c1(c2)c(c3c(cccc3)c2OC(C)=O)occ1C(C)=O,0.0
5833,CO-ADD:0233726,16.48,S(=O)(=O)(c1ccc(cc1)Br)N2CCC[C@@H](C2)c(ccn3)o3,0.0
5834,CO-ADD:0234115,16.48,c1(c2c(s3)CCCC2)c3ncnc1N(CC4)CCO4,0.0
5835,CO-ADD:0277744,16.48,n1c(c(cc2OC)cc(c2OC)OC)[nH]c(c3ccccc3)c1c4ccc(cc4)Sc5ccccc5,0.0
5836,CO-ADD:0278073,16.48,c1(scc(c2ccccc2)n1)NC(CSc3nc(c4ccccc4)cc(c5ccccc5)n3)=O,0.0
5837,CO-ADD:0278129,16.48,s1c(c(cc2)ccc2C(C)(C)C)nnc1NC(=O)c(cccc3[N+](=O)[O-])c3,0.0
5838,CO-ADD:0258839,16.48,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c(ccc(c4Cl)Cl)c4)n1,0.0
5839,CO-ADD:0258712,16.47,S(=O)(=O)(Nc1ccccc1C(=O)Nc(ccc(c2Cl)Cl)c2)c3cccc(nsn4)c34,0.0
5840,CO-ADD:0259313,16.47,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(ccs3)c3)c4sc(c5c4C#N)CCCC5,0.0
5841,CO-ADD:0259521,16.47,N1(c2ccc(c(Cl)c2)C)CC(CC1=O)C(=O)OCC(=O)c3ccc(cc3)Cl,0.0
5842,CO-ADD:0260169,16.47,C(=O)(Nc(cc1)ccc1OCC)C(=O)NCC(C)O,0.0
5843,CO-ADD:0277308,16.47,C1(C(=O)c2ccc(cc2)OC)=COc(c3C1=O)ccc(C)c3,0.0
5844,CO-ADD:0259472,16.47,C(F)(C(F)(F)F)(C(=O)Nc(cc1)ccc1[N+](=O)[O-])OC(F)(F)C(F)(F)C(F)(F)F,0.0
5845,CO-ADD:0234209,16.47,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
5846,CO-ADD:0259480,16.47,c1(C#N)c2c(sc1\N=C\c3c(Br)cc(c(O)c3Br)Br)CCCC2,0.0
5847,CO-ADD:0234168,16.46,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3c(C)cc(c(C)c3O)O,0.0
5848,CO-ADD:0236291,16.46,c1(N(CC)CC)nc(N\N=C(/C)\c2ccc(cc2)NC(C)=O)nc(Nc(ccc(c3Cl)C)c3)n1,0.0
5849,CO-ADD:0260128,16.46,c1(nonc1N)\C(=N/OC)\N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])Cl,0.0
5850,CO-ADD:0233372,16.46,N1(CNc2ccccc2)C(=O)c(c3C1=O)cccc3,0.0
5851,CO-ADD:0236508,16.46,[N+](=O)([O-])c1cc2c(cc1\C=N\c(ccc(c3Br)C)c3)OCO2,0.0
5852,CO-ADD:0236913,16.46,N(\C(=N/c1cccc(C)c1)\C2(N3c4cccc(C)c4)CCCCC2)=C3SC,0.0
5853,CO-ADD:0277921,16.46,c12c(nnc(SCC(=O)N3CCCc(cccc4)c34)n1)c5c(cccc5)n2C,0.0
5854,CO-ADD:0278042,16.46,N(CC(N)=O)(c(cccc1)c1C23OCCO2)C3=O,0.0
5855,CO-ADD:0277318,16.46,N1(c2ccc(cc2)OCCCC)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
5856,CO-ADD:0277550,16.46,S(=O)(=O)(c1c(C)cc(cc1C)C)Nc2nnc(C)s2,0.0
5857,CO-ADD:0277552,16.46,C(=O)(c1ccc(cc1)Br)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3OCCCCC,0.0
5858,CO-ADD:0258302,16.46,C1(O)(c2c(NC1=O)cccc2)C3CCc(c4C3=O)cc(cc4)OC,0.0
5859,CO-ADD:0244315,16.46,s1c(C(C)C)nnc1NC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
5860,CO-ADD:0244965,16.46,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc2ccc(cn2)C,0.0
5861,CO-ADD:0245066,16.46,C(C#N)(C(c1ccccc1)C2=C(N3c4ccc(cn4)Br)CCCC2=O)=C3N,0.0
5862,CO-ADD:0242645,16.45,n1(c2c(nn1)cccc2)S(=O)(=O)c(ccc(c34)ccc(C)c3)c4,0.0
5863,CO-ADD:0245357,16.45,C1(=C(C)NC(=O)C1CC(O)=O)C(=O)OC2C(CC(CC23)CC4C3)C4,0.0
5864,CO-ADD:0245352,16.45,c1(N2CCCCC2)nc(N\N=C\c(ccc3c4ccc(cc4)Cl)o3)nc(Nc5ccccc5)n1,0.0
5865,CO-ADD:0245366,16.45,C1(c2ccco2)=N\C(\C(=O)O1)=C/c3cccc(c3)OCc4ccccc4,0.0
5866,CO-ADD:0244658,16.45,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C(\CCC)/CCC,0.0
5867,CO-ADD:0245857,16.44,c(CC(=O)N\N=C(\CCCCC1)/C1)(c2c([nH]3)cccc2)c3,0.0
5868,CO-ADD:0242697,16.44,C(N)(N\N=C\c1ccccc1)=S,0.0
5869,CO-ADD:0245104,16.44,CC(/C=C/C=C/C(NCCC(NC(C(NC(C(NC(C(NC(Cc1ccc(OC2OCC(C(C2O)O)O)cc1)C(NC(C)C(C(NC(CC(c3c(O)cc(O)cc3)=O)C(N(C(C(N4CCCC4C(O)=O)=O)C)[H])=O)=O)NC(CNC(C(NC(CNC(C(NC(C(NC(CCN)=O)CC(C)C)=O)CC(C)=O)=O)=O)CO)=O)=O)=O)=O)CC(C(O)=O)O)=O)CC(c5ccccc5)O)=O)CCCN)=O)=O)C,0.0
5870,CO-ADD:0241350,16.44,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1\N=C\c3ccc(Br)s3,0.0
5871,CO-ADD:0242957,16.44,C1(CC(OC1c2ccccc2)=O)C(=O)Nc3ccccc3,0.0
5872,CO-ADD:0242658,16.44,C1(C(OC)=O)=C(C)NC(NC1c2ccccc2OCC(OCC)=O)=S,0.0
5873,CO-ADD:0241873,16.44,c12c(non1)nc(Nc(cc3)ccc3Br)c(N\N=C\c(ccc4c(cc5)c(OC)cc5[N+](=O)[O-])o4)n2,0.0
5874,CO-ADD:0242664,16.44,N(c1ccccc1C)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
5875,CO-ADD:0245455,16.44,n1(N)c(C)nnc1N\N=C\c2ccccc2,0.0
5876,CO-ADD:0244365,16.44,[N+](=O)([O-])c1cc(ccc1\N=C\c(ccc(c2OC)O)c2)\N=C\c(ccc(c3OC)O)c3,0.0
5877,CO-ADD:0244240,16.44,N1(C(c2ccccc2)=O)N=C(CC1(O)c3ccccc3O)C(F)(F)F,0.0
5878,CO-ADD:0244382,16.44,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(ccc2c(cccc3C(F)(F)F)c3)o2,0.0
5879,CO-ADD:0244844,16.44,C(C)N(C(=S)N1CC)C(C1N2)N3C(S\C(=C(/C4=O)\c5c(cccc5)N4C)\C3=O)=N2,0.0
5880,CO-ADD:0240557,16.43,c12n(ncn1)C(C=C(c3ccc(cc3)Cl)N2)c4ccccc4,0.0
5881,CO-ADD:0241936,16.43,n1c2c(oc1c(cc3)ccc3N(C)C)ccc(c2)NC(=O)c4ccc(cc4Cl)Cl,0.0
5882,CO-ADD:0241513,16.43,C(=O)(N\N=C(/C)\CC(=O)NC1CCCC1)C(=O)Nc2cc(C)ccc2OC,0.0
5883,CO-ADD:0240517,16.43,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2Cl)N3CCCCC3,0.0
5884,CO-ADD:0242696,16.43,n(c1c([nH]2)ccc(N)c1)c2C,0.0
5885,CO-ADD:0242369,16.43,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)NC3CC3)c4cccc(OC)c4,0.0
5886,CO-ADD:0242318,16.43,c1(\N=C\c2cccc(cccc3)c23)c(c4ccc(c(O)c4)OC)nc(cccc5)n15,0.0
5887,CO-ADD:0240503,16.42,N1(c2cccc(c2)c(csc3N4C(c5ccc(cc5)F)CC(c(cccc6[N+](=O)[O-])c6)=N4)n3)C(=O)c7c(cccc7)C1=O.Br,0.0
5888,CO-ADD:0241454,16.42,c1(Nc(cccc2C(F)(F)F)c2)nc(N\N=C\c(cc(I)cc3I)c3O)nc(NC)n1,0.0
5889,CO-ADD:0241434,16.42,c1(N(CC)CC)nc(N\N=C\c2ccccc2C(F)(F)F)nc(Nc(ccc(c3Cl)C)c3)n1.Cl,0.0
5890,CO-ADD:0241368,16.42,N1(c2ccc(cc2C)C)C(=O)CC(N(C)Cc3ccccc3)C1=O.Cl,0.0
5891,CO-ADD:0241524,16.42,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)\N=C\c(cc4)ccc4Cl)n1,0.0
5892,CO-ADD:0242104,16.42,c1(N\N=C\c2cccc(OC)c2O)nc(c3ccccc3)cc(c4ccc(c(OC)c4)OC)n1,0.0
5893,CO-ADD:0242249,16.42,C(=C/c(c1)c(N2CCCCC2)cc(N3CCCCC3)c1[N+](=O)[O-])(/C4=O)\C(=O)c(c45)cccc5,0.0
5894,CO-ADD:0242454,16.41,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c6ccc(cc6)OC)C(C)=O,0.0
5895,CO-ADD:0240484,16.41,C1(=S)N(c2ccc(cc2)OC)C3(\C(=N\c4cccc(C)c4)\N1)CCCCC3,0.0
5896,CO-ADD:0242451,16.41,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)N2CCCC(C)(C)C2,0.0
5897,CO-ADD:0242516,16.41,[N+](=O)([O-])c1ccc(cc1)COc2ccc(cc2OCC)\C=N\NC(=O)CC3(C)OCCO3,0.0
5898,CO-ADD:0242095,16.41,N(/NC(=O)c(ccc(c1F)F)c1)=C(/c2ccc(cc2)F)\c(cc3)ccc3N4CCCCC4,0.0
5899,CO-ADD:0242229,16.41,c1(c(O)ccc(c1)c2ccc(\C=N\NC(=O)c(cccn3)c3)o2)C(O)=O,0.0
5900,CO-ADD:0242581,16.41,N1(c2cccc(C)c2C)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
5901,CO-ADD:0242543,16.41,c1(scc(c2ccccc2)n1)NC(=O)Oc3ccccc3,0.0
5902,CO-ADD:0244772,16.41,C(c1ccccc1)(CN2CCCC2)C(=O)c3ccc(cc3)OCC.Cl,0.0
5903,CO-ADD:0240457,16.4,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
5904,CO-ADD:0242048,16.4,N1(c2ccc(cc2)F)C(c3ccc(cc3)Cl)Nc(c4C1=O)cccc4,0.0
5905,CO-ADD:0242046,16.4,N1(c2ccc(cc2)Cl)C(c(cc3)ccc3N(C)C)Nc(c4C1=O)cccc4,0.0
5906,CO-ADD:0241276,16.4,C(=N\c1ccccc1)(/N(c2ccccc2)\C(\C3=O)=C\c(ccc4c(cc5)cc(c5[N+](=O)[O-])C)o4)\S3,0.0
5907,CO-ADD:0240425,16.4,n(c1C)(nnc1C(=O)N\N=C(/C)\c2c(C)cc(c(F)c2)F)c3nonc3N,0.0
5908,CO-ADD:0240964,16.39,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc(c2OCC)OCCC)c2)c3ccccc3OC,0.0
5909,CO-ADD:0245548,16.39,N1(c2ccccc2)\C(=N/N=C/c(cc3)ccc3C)\SCC1=O,0.0
5910,CO-ADD:0244384,16.39,N1(c2cccc(C)c2C)C(=O)C(C3C1=O)C4C5(C3C=C4)CC5,0.0
5911,CO-ADD:0244238,16.39,N1(NC(=O)c(cccn2)c2)C(=O)C3C(C4C5(CC5)C3C=C4)C1=O,0.0
5912,CO-ADD:0242474,16.39,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
5913,CO-ADD:0242069,16.39,c1(SCC(=O)Oc2cccc(c2)OC(CSc3nc(C)cc(C)n3)=O)nc(C)cc(C)n1,0.0
5914,CO-ADD:0242226,16.39,[N+](=O)([O-])c1c(Cl)ccc(c1)c2ccc(\C=N\NC(=O)c(cccn3)c3)o2,0.0
5915,CO-ADD:0244743,16.39,C(Nc(cc1)ccc1C(F)(F)F)(C(OCC)=O)(C(F)(F)F)NC(=O)c(cccc2C(F)(F)F)c2,0.0
5916,CO-ADD:0242436,16.39,C(NCCCCCC(O)=O)(=O)c1ccc(cc1)OCC(C)C,0.0
5917,CO-ADD:0245282,16.39,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
5918,CO-ADD:0245048,16.39,c12c(nc(C)nc1SCC(OC)=O)c3c(cccc3)o2,0.0
5919,CO-ADD:0242780,16.39,S(=O)(=O)(Cc(cc1)ccc1[N+](=O)[O-])N(C)[N+](=O)[O-],0.0
5920,CO-ADD:0244162,16.39,N1(c(cc2)ccc2C(N)=O)C(=O)C=CC1=O,0.0
5921,CO-ADD:0241446,16.38,n1(c2c(n3)cccc2)c3S\C(=C/c(cc(Br)cc4Br)c4OC)\C1=O,0.0
5922,CO-ADD:0242445,16.38,C(=O)(c1ccc(cc1)OCCC(C)C)NC(c2ccccc2)CC(=O)[O-].[Na+],0.0
5923,CO-ADD:0242568,16.38,C1(C(=O)NNC(=O)c2ccc(cc2)Br)=Cc(cccc3CC=C)c3OC1=O,0.0
5924,CO-ADD:0242080,16.38,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c(ccc(c23)OCCO2)c3)=O)c4cccs4,0.0
5925,CO-ADD:0242416,16.38,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c(c(Cl)ccc2[N+](=O)[O-])c2,0.0
5926,CO-ADD:0240471,16.38,C(C#N)(C(c1ccc(c(OC)c1)OC)C2=C(N3c4cccc(C)c4)CCCC2=O)=C3N,0.0
5927,CO-ADD:0244789,16.38,C(=O)(Nc(cccc1NC(=O)c2ccccc2Cl)c1)c3ccccc3I,0.0
5928,CO-ADD:0242083,16.38,S(=O)(=O)(N1CCCCC1)c(ccc(c2C(=O)Nc(cccn3)c3)Cl)c2,0.0
5929,CO-ADD:0241389,16.38,N1(C(C)(C)CO)CC1C(=O)[O-].[Na+],0.0
5930,CO-ADD:0241915,16.38,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3C=O)CCCC2,0.0
5931,CO-ADD:0245520,16.38,N(=C(N\N=C\c(c(O)ccc1[N+](=O)[O-])c1)NN=C2Cc(ccc(c3OC)OC)c3)C2=O,0.0
5932,CO-ADD:0241361,16.38,c1(sc(c2n1)cccc2)NC(=O)c(cccc3N4C(=O)CCC4=O)c3,0.0
5933,CO-ADD:0245484,16.37,c(C#N)(c(\C(\C#N)=C\c(cc1)ccc1Br)nn2c3ccccc3)c2N,0.0
5934,CO-ADD:0245498,16.37,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(cc3)cc(c3OC(C)=O)OC,0.0
5935,CO-ADD:0242045,16.37,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(ccc(c4C5=O)C(N5c6ccccc6)=O)c4,0.0
5936,CO-ADD:0240198,16.37,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c3cc(Br)cc(Br)c3OCc4ccc(cc4Cl)Cl)n1,0.0
5937,CO-ADD:0240201,16.37,n1(CC(=O)N\N=C\c2cc(Br)cc(Br)c2OCc3ccc(cc3Cl)Cl)nnnc1N,0.0
5938,CO-ADD:0240383,16.37,c1(\C=N\NC(CCCc(c2c([nH]3)cccc2)c3)=O)c(cccc1F)Cl,0.0
5939,CO-ADD:0240487,16.37,C1(=S)N(c(cccc2C(F)(F)F)c2)C3(\C(=N\c4cccc(C)c4)\N1)CCCCC3,0.0
5940,CO-ADD:0244255,16.37,C(=O)(C(Cc(cc1)ccc1OC(OCc2ccccc2)=O)NC(OCc3ccccc3)=O)NC(Cc4ccccc4)C(=O)N\N=C\c(cc5)ccc5OCc(ccc(c67)cccc6)c7,0.0
5941,CO-ADD:0242458,16.37,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(=O)c3ccccn3)sc(c4n1)cccc4,0.0
5942,CO-ADD:0244387,16.37,N1(c2ccc(cc2)C)C(=O)c(c3C1=O)ccc(C(OCCCCCCCCCC)=O)c3,0.0
5943,CO-ADD:0240608,16.37,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4O)nc(Nc(cc5)ccc5C)n1,0.0
5944,CO-ADD:0244385,16.37,c1(CC(=O)Nc(cc2)ccc2OC)c(Sc3ccccc3)c4c(cccc4)n1Cc5ccccc5,0.0
5945,CO-ADD:0244786,16.37,N(Cc1ccccc1)(C2(CCC(CC2)C(C)(C)C)C(=O)Nc3c(C)cccc3C)C(=O)c4ccccc4O,0.0
5946,CO-ADD:0242209,16.37,S(c1ccccc1)(=O)(=O)N(CC(=O)NC2CCCC2)c3ccc(cc3Cl)Cl,0.0
5947,CO-ADD:0246097,16.36,C(C#N)(C(c(cc1)ccc1N(CC)CC)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
5948,CO-ADD:0245923,16.36,C(=O)(Nc1ccccc1C(=O)NC(C)Cc2ccccc2)c3ccccc3F,0.0
5949,CO-ADD:0241250,16.36,c1(NC(CSc2oc(c3n2)cccc3)=O)sc4c(ccc(OC)c4)n1,0.0
5950,CO-ADD:0240852,16.36,[N+](=O)([O-])c1ccc(cc1NCCOc(ccc(c2C)C)c2)N3CCCC3,0.0
5951,CO-ADD:0240808,16.36,C(CC(CC1)CCO1)(=O)Nc(cc2)ccc2Cl,0.0
5952,CO-ADD:0240875,16.36,N1(c(cc2)ccc2C(=O)N(CC3)CCN3c4ccccc4)C(=O)c(c5C1=O)cccc5,0.0
5953,CO-ADD:0242456,16.36,N1C(SCC(=O)Nc2sccn2)=NN=C(C)C1=O,0.0
5954,CO-ADD:0241903,16.36,c1(ccc(cc1NC(c(cc2)ccn2)=O)C)C(O)=O,0.0
5955,CO-ADD:0240949,16.36,C(F)(F)(C(F)(F)C(F)(F)C(=O)NC(C)C(=O)[O-])C(F)(F)C(F)(F)C(=O)NC(C)C(=O)[O-].C(=O)O,0.0
5956,CO-ADD:0241190,16.35,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(c3)C(OC4=O)=Nc(c45)cc(c(OC)c5)OC,0.0
5957,CO-ADD:0240345,16.35,C(/c(ccc(c1)OC)c12)(\C(=S)C(N2C(=O)c3ccc(cc3)C)(C)C)=C(/SC(=C4C(OC)=O)C(OC)=O)\S4,0.0
5958,CO-ADD:0244223,16.35,C(C#N)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
5959,CO-ADD:0245723,16.35,n12c(S\C(=C/c(ccc(c3OC)OC)c3)\C1=O)nc(cc(Br)cn4)c24,0.0
5960,CO-ADD:0244501,16.34,C(=O)(c1cccc(c1)\N=C\c2ccccc2O)N(c3ccccc3)c4ccccc4,0.0
5961,CO-ADD:0240516,16.34,n1c(c2ccc(cc2)I)csc1Nc3cccc(OC)c3.Br,0.0
5962,CO-ADD:0242321,16.34,c1(\N=C\c2cc(OCO3)c3cc2[N+](=O)[O-])c(c4ccc(c(OC)c4)O)nc(cccc5)n15,0.0
5963,CO-ADD:0245281,16.34,C(C(OCC)=O)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
5964,CO-ADD:0240860,16.34,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2OC)N3CCCCC3,0.0
5965,CO-ADD:0240833,16.34,N1(CN(Cc2ccccc2)CN3C(=O)C4C(CC(=CC4)Cl)C3=O)C(=O)C5C(CC(=CC5)Cl)C1=O,0.0
5966,CO-ADD:0240741,16.34,C1(C#N)(C(C)(C)C2)\C(=C(/C#N)\C#N)\NC2(C(C#N)=C1N)C,0.0
5967,CO-ADD:0240407,16.34,C(F)(C(F)(F)F)(C(=O)Nc1n[nH]cn1)OC(F)(F)C(F)(F)C(F)(F)F,0.0
5968,CO-ADD:0245920,16.34,[N+](=O)([O-])c(ccc(c1nc(c23)ccc(OCC)c2)c3Cl)c1,0.0
5969,CO-ADD:0240654,16.34,n1(nnc(C(OCC)=O)c1CN(CC2)CCC2C(OCC)=O)c3nonc3N,0.0
5970,CO-ADD:0240952,16.34,C(C1CCCCC1)(=O)NCC(=O)[O-],0.0
5971,CO-ADD:0240720,16.34,C(=O)(NCc(cc1)ccc1Cl)c2ccc(c(OC)c2)OC,0.0
5972,CO-ADD:0240362,16.34,N1(C(C)=O)N=C(CC1(O)c2cccc(OC)c2)C(F)(F)F,0.0
5973,CO-ADD:0242892,16.34,n1c2c(cccc2C)ccc1c(c(C)ccc3[N+](=O)[O-])c3,0.0
5974,CO-ADD:0242099,16.34,C(/CC1C)(=N/OC(=O)c2ccc(cc2)C)\c3c(C1)cc(O)cc3,0.0
5975,CO-ADD:0240189,16.34,s1c(\C=N\c2ccc(cc2C)C)ccc1Br,0.0
5976,CO-ADD:0242047,16.33,N1(c2ccc(cc2)F)C(c3ccc(cc3)OC)Nc(c4C1=O)cccc4,0.0
5977,CO-ADD:0240542,16.33,c1(C(=O)Oc2ccccc2\C=N\c(cc3)ccc3N(CC)CC)c(Cl)c4c(cccc4)s1,0.0
5978,CO-ADD:0241367,16.33,C(C(F)F)(Oc(ccc(c1)OC)c1C2=O)=C2,0.0
5979,CO-ADD:0241141,16.33,n1(CCS2)c2nc(c3ccc(cc3)Cl)c1\N=C\c(cc4)ccc4Cl,0.0
5980,CO-ADD:0241461,16.33,c1(N(C)C)nc(N\N=C\c2cc(Cl)ccc2O)nc(Nc(cc3)ccc3F)n1,0.0
5981,CO-ADD:0240967,16.33,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3cccc(c3)\N=C\c(cc4)ccc4OC(=O)c(c5)cc(cc5[N+](=O)[O-])[N+](=O)[O-])c1,0.0
5982,CO-ADD:0242922,16.33,c1(cc2c(cc1[N+](=O)[O-])ccc(c(C)cc(C)n3)c23)[N+](=O)[O-],0.0
5983,CO-ADD:0242481,16.33,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
5984,CO-ADD:0240695,16.33,[N+](=O)([O-])c1cccc(c1)\C=N\n(cnn2)c2,0.0
5985,CO-ADD:0240658,16.33,n1(nnc(C(OCC)=O)c1CN2CCc(cccc3)c23)c4nonc4N,0.0
5986,CO-ADD:0244751,16.33,c1(N\N=C(/C)\c2ccc(cc2)Nc(nc3N(CC4)CCO4)nc(n3)N(CC5)CCO5)nnc(C)n1N.Cl,0.0
5987,CO-ADD:0244603,16.33,n1c(cccc1c2ccc(cc2)OC(CCCCCCCCCCC)=O)c3ccc(cc3)OC(CCCCCCCCCCC)=O,0.0
5988,CO-ADD:0241894,16.33,C(=C\c(cc1)ccc1N(CC2)CCO2)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
5989,CO-ADD:0244526,16.33,[N+](=O)([O-])c1ccccc1COc2ccccc2\C=N\NC(=O)c3cccc(c3)NC(CCC)=O,0.0
5990,CO-ADD:0240187,16.32,c1(\C=N\c(cc2)ccc2Cl)c3c([nH]c1C)cccc3,0.0
5991,CO-ADD:0244212,16.32,N1(CCc2ccccc2)C(=O)CC(SCC(=O)Nc(ccc(c34)cccc3)c4)C1=O,0.0
5992,CO-ADD:0245379,16.32,N1(c2cccc(Cl)c2C)C(=O)C(C(C34)C1=O)C(c5c3cccc5)c(c46)cccc6,0.0
5993,CO-ADD:0245514,16.32,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(Br)s4,0.0
5994,CO-ADD:0245708,16.32,c12n(c(nn1)SCC)ncn2N,0.0
5995,CO-ADD:0240711,16.32,C(=O)(c1ccc(cc1)CCCC)Nc(cc2)ccc2Br,0.0
5996,CO-ADD:0240139,16.32,C1(O)C(O)C(O)COC1Nc(cc2)ccc2[N+](=O)[O-],0.0
5997,CO-ADD:0242788,16.32,C1(c2ccccc2C)=N\C(\C(=O)O1)=C/c3cc(C)ccc3OC,0.0
5998,CO-ADD:0240129,16.32,C1(C([H])(c(c2)c(O)c(cc2[N+](=O)[O-])Br)C3=C(C)N(N(c4ccccc4)C3=O)C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
5999,CO-ADD:0244582,16.32,N1(c2ccccc2C)C(=O)c(c3C1=O)ccc(C(=O)c(ccc(c4C5=O)C(N5c6ccccc6C)=O)c4)c3,0.0
6000,CO-ADD:0242093,16.31,n1(c(\C(\C)=N\NC(=O)c2ccc(cc2F)F)c(nn1)C)c3nonc3N,0.0
6001,CO-ADD:0242276,16.31,C(=C/c(ccc1c2ccc(cc2Cl)[N+](=O)[O-])o1)(/C3=O)\Sc(c34)cccc4,0.0
6002,CO-ADD:0244344,16.31,c1(C(=O)\C=C(\Nc2c(N3)cccc2)/C3=O)c(O)c(F)c(c(F)c1F)F,0.0
6003,CO-ADD:0246171,16.31,C(=C/c1ccccc1)(/C(=O)NN2c(cc3)ccc3C(OCC)=O)\C2=O,0.0
6004,CO-ADD:0241681,16.31,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c2cccc(Cl)c2,0.0
6005,CO-ADD:0242475,16.31,S(=O)(=O)(N(CC1)CCO1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c(ccc(c34)OCO3)c4,0.0
6006,CO-ADD:0240115,16.31,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)C(O)(c2cccc(C)c2)c3cccc(C)c3,0.0
6007,CO-ADD:0241226,16.31,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc4c(ccc(c5Cl)Cl)c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
6008,CO-ADD:0240448,16.31,N1(\N=C\c2ccco2)C(=O)C3C(C4C=CC3CC4)C1=O,0.0
6009,CO-ADD:0240872,16.31,c12c(c3c(cccc3)c(cccc4)c14)nc(ccc5C(=O)N(CC=C)c6ccccc6)c(c5)n2,0.0
6010,CO-ADD:0241599,16.3,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1\N=C\c3scc(Br)c3,0.0
6011,CO-ADD:0242424,16.3,C(=O)(N\N=C(/C)\CC(=O)Nc1c(C)cc(cc1C)C)c2ccco2,0.0
6012,CO-ADD:0242049,16.3,C1(O)(c2c(NC1=O)cccc2)CC(=O)c3ccccc3O,0.0
6013,CO-ADD:0240166,16.3,n1c2c(oc1c3ccc(cc3)\N=C\c4cccc(OCC)c4O)cccn2,0.0
6014,CO-ADD:0242100,16.3,N1(c2ccc(cc2)Cl)C(c3ccccc3)Nc(c4C1=O)cccc4,0.0
6015,CO-ADD:0240458,16.3,n1(cnc2c1ncnc2N)C3OC(C(OC(OC)O4)C34)CO,0.0
6016,CO-ADD:0240223,16.3,N1(c(cc2)ccc2C(=O)N(CC3)CCN3c4ccccc4)C(=O)CCC1=O,0.0
6017,CO-ADD:0240769,16.3,C1(=C(CCC1)NNC(=O)c(cccn2)c2)C(=O)C(F)(F)F,0.0
6018,CO-ADD:0240853,16.3,[N+](=O)([O-])c1ccc(cc1NCCOc(ccc(c2C)C)c2)N3CCCCC3,0.0
6019,CO-ADD:0242972,16.29,S(=O)(=O)(Oc1ccccc1)c2ccccc2\C=C\c3ccccc3S(=O)(=O)Oc4ccccc4,0.0
6020,CO-ADD:0244474,16.29,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCC(N)=O)C3CC3,0.0
6021,CO-ADD:0245080,16.29,N1(c2ccccc2)C(=O)C(NC1=S)CC(C)C,0.0
6022,CO-ADD:0244912,16.29,C1(C2NC(SCC(=O)O)=[N+]1[H])N(C)C(=O)N2.[Br-],0.0
6023,CO-ADD:0244399,16.29,N1(c2cccc(C)c2)C(=O)CC(N(CC3)CCN3c4cccc(Cl)c4)C1=O,0.0
6024,CO-ADD:0241837,16.29,c1(N(C)C)nc(N\N=C\c2cccc(Br)c2)nc(NCc3ccccc3)n1.Cl,0.0
6025,CO-ADD:0245475,16.28,c1(N(CC2)CCO2)nc(N\N=C\c(cccc3[N+](=O)[O-])c3)nc(Nc4ccc(cc4Br)C)n1.CC(=O)O,0.0
6026,CO-ADD:0245477,16.28,c1(N(C)C)nc(NCc2ccccc2)nc(N\C=N\Cc(ccc3c4ccc(cc4Cl)[N+](=O)[O-])o3)n1.Cl,0.0
6027,CO-ADD:0240984,16.28,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2ccccc2F,0.0
6028,CO-ADD:0240766,16.28,N1(C(c2ccc(cc2)F)CC(c(cccc3[N+](=O)[O-])c3)=N1)c4scc(c5ccc(cc5)C)n4.Br,0.0
6029,CO-ADD:0240781,16.28,c1(C(=O)N\N=C\c(ccc2c(cc3)cc(c3[N+](=O)[O-])C)o2)nonc1N,0.0
6030,CO-ADD:0240956,16.28,S(=O)(=O)(c(ccc(c1C(=O)Oc(cccc2NC(=O)c3cccc(OC)c3)c2)Cl)c1)N(CC4)CCO4,0.0
6031,CO-ADD:0240684,16.28,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c2ccc(cc2)F,0.0
6032,CO-ADD:0244346,16.27,c1(n[nH]c(O)c1)C(F)(F)C(F)F,0.0
6033,CO-ADD:0241005,16.27,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c(cccc4[N+](=O)[O-])c4)n1,0.0
6034,CO-ADD:0244307,16.27,S1(=O)(=O)c(cccc2)c2C(OCc(cccc3[N+](=O)[O-])c3)=N1,0.0
6035,CO-ADD:0242776,16.27,S(NCCC(O)=O)(=O)(=O)c1ccc(cc1)C,0.0
6036,CO-ADD:0242747,16.27,S(=O)(=O)(N(CC)CC)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c(c2)c(N(C)C)ccc2[N+](=O)[O-],0.0
6037,CO-ADD:0245628,16.27,c1(C2(CCCCC2)N3CCCC3)nnnn1c4cccc(C)c4,0.0
6038,CO-ADD:0241562,16.27,[N+](=O)([O-])c1cc(ccc1\N=C\c(c2c([nH]3)cccc2)c3)\N=C\c(c4c([nH]5)cccc4)c5,0.0
6039,CO-ADD:0241712,16.26,C1(C2c3cccc(cccc4)c34)=C(c5c(cccc5)OC1=O)OC(N)=C2C#N,0.0
6040,CO-ADD:0241792,16.26,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c(cc3)ccc3C(F)(F)F,0.0
6041,CO-ADD:0242977,16.26,C(=O)(N\N=C(\C)/C(OCC)=O)C(=O)N(CC1)CCO1,0.0
6042,CO-ADD:0241374,16.26,c1(ccccc1OCC(=O)N\N=C/c(ccc(c2OC)OC)c2)C(=O)N\N=C\c(ccc(c3OC)OC)c3,0.0
6043,CO-ADD:0240295,16.26,N1(c2cc(Cl)cc(Cl)c2)C(=O)CC(N3CCCCC3)C1=O,0.0
6044,CO-ADD:0240117,16.26,c1(ncccc1C(NCCCC)=O)Nc2ccccc2.Cl,0.0
6045,CO-ADD:0240451,16.26,N1(\N=C\c(c(O)cc(c2[N+](=O)[O-])O)c2)C(=O)C3C(C4C=CC3CC4)C1=O,0.0
6046,CO-ADD:0244624,16.26,C(CCCCCCC)(=O)Nc(cc1)ccc1SCC(OC)=O,0.0
6047,CO-ADD:0244626,16.26,N(c1ccccc1)(CC2)CCN2CN(CC3)CCN3c4ccccc4,0.0
6048,CO-ADD:0240992,16.25,C(C#N)(C1c2ccc(cc2)Br)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
6049,CO-ADD:0245317,16.25,N1(CCO)C(=O)C(C(C1=O)C23C)C(c(c24)cccc4)c(c35)cccc5,0.0
6050,CO-ADD:0241212,16.25,C(/c(cccc1C)c1N2)(=N\c3ccccc3C(O)=O)\C2=O,0.0
6051,CO-ADD:0245858,16.25,C1(C(=O)Nc(cc2)ccc2C(NCCCCCCCCCCC)=O)C(C1C)CCCC,0.0
6052,CO-ADD:0241135,16.25,N1(c(cc2)ccc2C(=O)Nc(cccc3C(=O)c4ccc(c(C)c4)C)c3)C(=O)c(c5C1=O)ccc(c5)C(=O)Nc(cccc6C(=O)c7ccc(c(C)c7)C)c6,0.0
6053,CO-ADD:0241115,16.25,S(=O)(=O)(c1ccc(cc1)Cl)NCc(cccn2)c2,0.0
6054,CO-ADD:0244273,16.25,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCC(=O)Nc(ccc(c2C)C)c2)=O)O)c1,0.0
6055,CO-ADD:0229898,16.25,C(C1)(C2)(CN(CN2C3)CN13)\C(\c4ccc(cc4)C)=N/NC(=O)Cc(c5c([nH]6)cccc5)c6,0.0
6056,CO-ADD:0229912,16.25,C(=O)(c1ccc(cc1)F)Nc(cc2)ccc2NC(C)=O,0.0
6057,CO-ADD:0229285,16.25,c1(cn(nc1C(=O)Nc(cc2)ccc2Cl)C)[N+](=O)[O-],0.0
6058,CO-ADD:0227500,16.25,C(COc1cccc(Cl)c1)(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
6059,CO-ADD:0227774,16.25,S(=O)(=O)(N(CC)CC)c1c(Cl)ccc(c1)c2nnc(c3ccc(cc3)Br)o2,0.0
6060,CO-ADD:0227938,16.25,C(c(cc1)ccc1\C=N\c(cc2)ccc2OC)#Cc3ccccc3,0.0
6061,CO-ADD:0231278,16.24,S(=O)(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c(cc3)ccc3NC(C)=O,0.0
6062,CO-ADD:0227193,16.24,c(c(Br)c1Br)c(NCC(=O)N\N=C\c2ccccc2O)c(c1)Br,0.0
6063,CO-ADD:0231330,16.24,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N\N=C\c(cc3)ccc3OCc4ccccc4Cl,0.0
6064,CO-ADD:0227573,16.24,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N/NC(COc3ccc(cc3Br)Cl)=O)Br,0.0
6065,CO-ADD:0229905,16.24,C(=O)(c1ccc(cc1)Cl)Nc2ccc(cc2C)Br,0.0
6066,CO-ADD:0229164,16.24,c1(NC(COC(=O)CN2C(=O)CCC2=O)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
6067,CO-ADD:0229512,16.24,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3OC,0.0
6068,CO-ADD:0227447,16.24,[N+](=O)([O-])c(cc1)ccc1\C(\c(cc2)ccc2[N+](=O)[O-])=C(/c3ccccc3)\c4ccccc4,0.0
6069,CO-ADD:0227713,16.24,C(/CC1CC)(=C/c(cc2)ccc2OC)\C(=O)\C(\C1)=C\c(cc3)ccc3OC,0.0
6070,CO-ADD:0229284,16.24,C1(C(OCC)=O)=C(C)NC(NC1c2c(ccc(cccc3)c23)OCC(OCC)=O)=S,0.0
6071,CO-ADD:0229157,16.24,c1(c(CCCC(OCC)=O)sc(N)n1)C2=C(C)NC(=O)N2,0.0
6072,CO-ADD:0229107,16.24,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c(cc3)ccc3OC)c2,0.0
6073,CO-ADD:0229092,16.24,N(=C\c(cc1)ccc1OCCCCC)/NC(CCCC(=O)Nc(cc2)ccc2Br)=O,0.0
6074,CO-ADD:0229655,16.24,c1(\C=N\NC(COc2c(C)ccc(C(C)C)c2)=O)cc(Br)ccc1OCCC,0.0
6075,CO-ADD:0319919,16.24,C1(=O)Nc2c(Oc(cc(Sc(cc3)ccc3C)cc4Oc5ccccc5)c14)cccc2,0.0
6076,CO-ADD:0324313,16.24,n1c(c2ccc(cc2)C)nnn1CC(NCCc3ccccc3)=O,0.0
6077,CO-ADD:0323018,16.24,c(Sc(cc1)ccc1C)(c2Cl)nc(c(C#N)c2Sc(cc3)ccc3C)Cl,0.0
6078,CO-ADD:0324264,16.24,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCN(CC3)CCO3,0.0
6079,CO-ADD:0323067,16.23,c1(N2)c(C(C=C2C(OC)=O)=O)c(nc(c3ccccc3)n1)SC,0.0
6080,CO-ADD:0318709,16.23,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)OC)c5ccc(cc5)Br,0.0
6081,CO-ADD:0318662,16.23,N1(C(=O)CSc2sc(c3n2)ccc(Cl)c3)c4c(cccc4)Sc(ccc(Cl)c5)c15,0.0
6082,CO-ADD:0319052,16.23,c12c(ccc(\C=N\Nc3ccccc3)c1N)C(=O)c(c4C2=O)cccc4,0.0
6083,CO-ADD:0319108,16.23,C(NCCOc(cc1)ccc1C(C)(C)C)(=O)c2cccc(Br)c2,0.0
6084,CO-ADD:0319493,16.23,N(Cc1ccccc1)(C(c2ccc(cc2)OC)=NN3CN(CC4)CCC4c5ccccc5)C3=S,0.0
6085,CO-ADD:0319061,16.23,c1(C(OCC)=O)c(cc(O)cc2)c2n(c3ccccc3)c1CSc4ccccc4,0.0
6086,CO-ADD:0320186,16.23,C(/C(OCC)=O)(\C(OCC)=O)=C\Nc1ccccc1N,0.0
6087,CO-ADD:0324448,16.23,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4ccc(c(OC)c4)OC,0.0
6088,CO-ADD:0319078,16.23,C(OCCCC)(=O)c1ccc(cc1)NC(COc(ccc(c23)cccc2)c3)=O,0.0
6089,CO-ADD:0319937,16.23,c1(c2ccccc2Cl)noc(C)c1C(NCCOC(C3)(C4)CC(CC4C5)CC35)=O,0.0
6090,CO-ADD:0319503,16.23,[N+](=O)([O-])c1c(SCC)ccc(c1)C(NCCOc(cc2)ccc2C)=O,0.0
6091,CO-ADD:0319047,16.23,C(=O)(c1ccc(cc1)F)N(CC2)CCN2c(cc3)ccc3C(=O)c4cccc(F)c4,0.0
6092,CO-ADD:0319543,16.23,C1(=O)Nc2c(Oc(cc(cc3Oc4ccccc4OC)[N+](=O)[O-])c13)cccc2,0.0
6093,CO-ADD:0319456,16.23,C1(N(CC2)CCO2)=NC(=O)NC(Sc3ccccc3)=N1,0.0
6094,CO-ADD:0319186,16.22,c1(ccoc1C)C(=O)Nc(cccn2)c2,0.0
6095,CO-ADD:0319506,16.22,c1(SCC(=O)Nc2c(C)cccc2C)oc(c3n1)cccc3,0.0
6096,CO-ADD:0319488,16.22,c1(ccc(cc1OCC(NCCOc2ccccc2)=O)OC)C(c3ccccc3)=O,0.0
6097,CO-ADD:0319216,16.22,c1(ccc(cc1OC)SC)C(=O)Nc(c(Cl)ccc2C(F)(F)F)c2,0.0
6098,CO-ADD:0319554,16.22,c1(c2ccccc2F)nnn(CC(=O)Nc(cc3)ccc3OC(F)(Cl)F)n1,0.0
6099,CO-ADD:0319990,16.22,c1(c[nH]nc1c2ccc(cc2)F)C3c4c(ccc5c4cccn5)NC(CCCC6=O)=C36,0.0
6100,CO-ADD:0319397,16.22,S(c1ccccc1CC(=O)Nc(cc2)ccc2Cc(cc3)ccn3)c4ccccc4C#N,0.0
6101,CO-ADD:0319405,16.22,n1(c2ccccc2)c(COc3ccccc3)nnc1SCC(=O)NC4CCCCC4,0.0
6102,CO-ADD:0321095,16.22,c1(NC(C2CCCC2)=O)sc(c3c1C#N)CCC3,0.0
6103,CO-ADD:0319056,16.22,N1(CC=C)C(=O)\C(=C/Nc(cc2)ccc2C(OCCN(CC)CC)=O)\C(NC1=O)=O,0.0
6104,CO-ADD:0323987,16.22,c1(c2ccc(cc2Cl)Cl)nnc(cccc3Cl)n13,0.0
6105,CO-ADD:0324318,16.22,c1(\C(\CCC2)=N\OCc(cc(OCO3)c3c4)c4Cl)c2non1,0.0
6106,CO-ADD:0318691,16.22,c1(NC(=O)C(OC)(F)C(F)(F)F)sc(c(C)c1C(OCC)=O)C(=O)Nc2ccccc2,0.0
6107,CO-ADD:0318852,16.22,C(=N\c(cc1)ccc1OC(Cl)(F)F)(/SC(C(=O)Nc(ccc(c2Cl)Cl)c2)CC3=O)\N3CCc4ccccc4,0.0
6108,CO-ADD:0320453,16.21,c1(N=Nc2nonc2c3ccc(cc3)OC)nonc1c4ccc(cc4)OC,0.0
6109,CO-ADD:0318932,16.21,C(=C/c(cc1)ccc1OCc2ccccc2F)(/C(=O)NN3c4ccccc4)\C3=O,0.0
6110,CO-ADD:0318937,16.21,c12c(n(c(N(CC3)CCO3)n1)CCCN)C(N(C)C(=O)N2C)=O,0.0
6111,CO-ADD:0318681,16.21,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c4cccc(F)c4,0.0
6112,CO-ADD:0319948,16.21,c1(C2c3c(cccc3Cl)F)c([nH]nc1c4ccc(c(OC)c4)OCC)OC(N)=C2C#N,0.0
6113,CO-ADD:0320012,16.21,C(c1cccc(Br)c1)(CC(c2ccco2)=CC3=O)C3C(C)=O,0.0
6114,CO-ADD:0318836,16.21,c1(NC(=O)C(C)Oc(cc2)ccc2F)sc(c(C)c1C(OCC)=O)C,0.0
6115,CO-ADD:0323046,16.21,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc(cc2)ccc2OC)SCC,0.0
6116,CO-ADD:0319435,16.21,C1(=Cc(cccc2OC)c2OC1c(ccc(c34)OCO3)c4)[N+](=O)[O-],0.0
6117,CO-ADD:0319219,16.21,C(=O)(c1ccc(cc1)Oc2ccccc2)NC(CC(C)CC3(C)C)C3,0.0
6118,CO-ADD:0324406,16.21,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(NCCc3ccccc3)=O)n2)Cc4ccccc4Cl,0.0
6119,CO-ADD:0323674,16.21,c1(C(=O)NCc2ccccc2)sc3c(c(COC)cc(C)n3)c1N,0.0
6120,CO-ADD:0320189,16.21,c1(c2ccc(cc2)Br)cc(c(cc3OCC)cc(c3O)Br)nc(ccc(cccc4)c45)c15,0.0
6121,CO-ADD:0319916,16.21,C(=N/c1ccccc1)(/SC(C(=O)Nc(cc2)ccc2OC(F)(Cl)F)CC3=O)\N3CCc(cc4)ccc4Cl,0.0
6122,CO-ADD:0319901,16.21,c1(C2c3ccccc3OC)c([nH]nc1c4ccc(cc4OCC)OCC)OC(N)=C2C#N,0.0
6123,CO-ADD:0157562,16.21,O=C(CSC1=NC(C)=CC(C)=N1)NC2=NC=CC=C2,0.0
6124,CO-ADD:0157570,16.2,O=C(C1)N(C2=CC=C(OC)C=C2)C(C1S/C(N)=N/C3=CC=CC=C3)=O,0.0
6125,CO-ADD:0157874,16.2,[O-][N+](C1=CC(Cl)=CC(/C=N/C2=CC(C3=NC(C=C4)=C(C=C4C)O3)=CC=C2)=C1O)=O,0.0
6126,CO-ADD:0157786,16.2,[O-][N+](C1=CC=C(/C=N/NC(COC(C(Cl)=C2)=CC=C2Cl)=O)S1)=O,0.0
6127,CO-ADD:0157541,16.2,O=C(C1=NC=CN=C1)N/N=C(C)/CC(NC(C(Cl)=CC=C2)=C2C(F)(F)F)=O,0.0
6128,CO-ADD:0157797,16.2,O=C(COC(C=CC=C1)=C1C)N/N=C/C2=CC(I)=CC=C2O,0.0
6129,CO-ADD:0157824,16.2,ClC1=CC(/C=N/C2=CC(N=C(C3=CC=C(F)C=C3)O4)=C4C=C2)=C(O)C=C1,0.0
6130,CO-ADD:0157601,16.2,C1(SC2=CC=C(/C=N/C3=CC=C(C=C3)C4=CC=CC=C4)O2)=NC(C=CC=C5)=C5N1,0.0
6131,CO-ADD:0157134,16.2,[O-][N+](C(C=C1)=CC=C1NC(C(C2)(C3=CC=CC=C3)C2(Cl)Cl)=O)=O,0.0
6132,CO-ADD:0157120,16.2,O=C(NC1=CC=C(Br)C=C1)CCCC(N/N=C/C2=CC=CN=C2)=O,0.0
6133,CO-ADD:0157567,16.2,N#CC1=C(NC(C2=CC=CC=C2)=O)SC(C(OCC)=O)=C1C,0.0
6134,CO-ADD:0157511,16.2,O=C(C1=CC=C(Cl)C=C1)NC(C=C2OC)=C(Cl)C=C2NC(COC3=CC=CC=C3C)=O,0.0
6135,CO-ADD:0157519,16.2,BrC1=CC(Br)=CC(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=CC(Cl)=C4)=C1O,0.0
6136,CO-ADD:0157619,16.2,N#CC(C(C(F)(F)F)=C1)=C(SCC(OC)=O)N=C1C2=CC=CS2,0.0
6137,CO-ADD:0157627,16.2,O=C(C(C=C1)=CC=C1NC(C2=CC(C)=CC=C2)=O)N(C3=CC=CC=C3)C4=CC=CC=C4,0.0
6138,CO-ADD:0157755,16.2,[O-][N+](C1=CC=C(C(/C=N/NC(CNC2=CC=CC=C2)=O)=C1)N3CCCCC3)=O,0.0
6139,CO-ADD:0163099,16.2,C1(C#N)=C(N)Oc(c2C1c3cccc(F)c3)ccc(cccc4)c24,0.0
6140,CO-ADD:0163516,16.2,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
6141,CO-ADD:0163300,16.19,c1(cc(\C=N\NC(=O)c(ccc(n2)CO)c2)cc(OC)c1O)[N+](=O)[O-],0.0
6142,CO-ADD:0157871,16.19,[O-][N+](C1=CC(Cl)=CC(/C=N/C2=CC=C(C=C2)C3=NC(C=CC=C4)=C4O3)=C1O)=O,0.0
6143,CO-ADD:0157576,16.19,CN1C2=C(OC3=C1C=CC=C3)N=NC(N4CCN(CC)CC4)=C2,0.0
6144,CO-ADD:0157074,16.19,N#CC1=C(N)N(CC2=CC=CC=C2)C3=NC4=NON=C4N=C31,0.0
6145,CO-ADD:0157290,16.19,O=C(NC1=C(C=CC=C1)C(N/N=C/C(C=CC=C2)=C2O)=O)C3=CC=CC=C3Cl,0.0
6146,CO-ADD:0157298,16.19,O=C(CCC1=CC=CC=C1)NC2=C(C)C=CC(NC(CCC3=CC=CC=C3)=O)=C2,0.0
6147,CO-ADD:0157628,16.19,O=C(C(C=C1)=CC=C1NC(CCCCCCCCC)=O)NC2=CC=CC(NC(C3=CC=CC=C3)=O)=C2,0.0
6148,CO-ADD:0156985,16.19,N#CC1=C(SCC(C(C)(C)C)=O)N=C(CC)C(C)=C1,0.0
6149,CO-ADD:0157001,16.18,N#CC1=C2[N+](C(C(Br)C3=CC=CC=C3)CS2)=C(C)C=C1C.[Br-],0.0
6150,CO-ADD:0157009,16.18,N#CC(C(C(F)(F)F)=CC(C1=CC=CS1)=N2)=C2SCC(NC3=NC(C=CC=C4)=C4S3)=O.Cl.Cl,0.0
6151,CO-ADD:0157322,16.18,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1C(OC/2=O)=NC2=C/C(C=C3)=CC=C3C)=O,0.0
6152,CO-ADD:0157154,16.18,O=C(N/N=C(C)/CC(NC1=C(C)C(Cl)=CC=C1)=O)C2=CC(Cl)=CC=C2O,0.0
6153,CO-ADD:0163612,16.18,[N+](=O)([O-])c(cc1)ccc1\C=C(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cc(Br)ccc3OCC(O)=O,0.0
6154,CO-ADD:0163660,16.18,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2c(C)cccc2C)=O)OC)c1,0.0
6155,CO-ADD:0157002,16.18,N#CC1=C(C2=CC=CC=C2)C(CN(C)CC3)=C3NC1=S,0.0
6156,CO-ADD:0157267,16.18,O=C(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)N/N=C/C(C(Cl)=CC=C2)=C2Cl,0.0
6157,CO-ADD:0157291,16.18,O=C(N1)C(N(CC2)CC3=CC=CC=C3)(C4=C1C=CC=C4)N2CC5=CC=CC=C5,0.0
6158,CO-ADD:0156979,16.18,NC1=C(C(C2=CC=C(Cl)C=C2)=O)SC(N=C3C)=C1C4=C3CCCC4,0.0
6159,CO-ADD:0157059,16.18,N#CC1=C(N=C(C(C=C2)=CC=C2Br)C=C1C3=CC=CC=C3)SC(C(OCC)=O)C(OCC)=O,0.0
6160,CO-ADD:0157916,16.18,OC1=CC(O)=CC=C1/C=N\NC2=NC(N3CCOCC3)=NC(NC4=CC=C(OC)C=C4)=N2,0.0
6161,CO-ADD:0157828,16.18,ClC1=CC(N=C(C(C=C2)=CC=C2/N=C/C3=C(O)C=CC(Cl)=C3)O4)=C4C=C1,0.0
6162,CO-ADD:0157565,16.18,O=C1N(C2=CC=C(CC)C=C2)C(C(C=C3)=CC=C3Br)SC1,0.0
6163,CO-ADD:0157092,16.18,N#CC1=C(S/C2=C\C3=CC=CC=C3)N(C2=O)C(N)=C(C#N)C1C4=CC=CC=C4,0.0
6164,CO-ADD:0157124,16.17,N#CC1=C(C)C(/C=N/C2=CC=C(Br)C=C2)=C(O)N3C1=NC4=CC=CC=C34,0.0
6165,CO-ADD:0157013,16.17,N#CC(C(C(F)(F)F)=C1)=C(SCC(NC2=CC=C(C=C2)C(N)=O)=O)N=C1C3=CC=CC=C3,0.0
6166,CO-ADD:0157266,16.17,ClCC(CC1=CN=CN1)NCC2=CC=CC=C2.Cl.Cl,0.0
6167,CO-ADD:0157174,16.17,[O-][N+](C1=CC=CC(/C=N/NC(C(NC2=CC(Cl)=CC=C2C)=O)=O)=C1)=O,0.0
6168,CO-ADD:0157785,16.17,[O-][N+](C1=CC(/C=N/NC(C2OC(C=CC=C3)=C3OC2)=O)=CC=C1OC)=O,0.0
6169,CO-ADD:0157802,16.17,[O-][N+](C1=C(O)C(/C=N/C2=CC(C3=NC(C=C4)=C(C=C4C)O3)=CC=C2)=CC(C)=C1)=O,0.0
6170,CO-ADD:0157750,16.17,[O-][N+](C(C=C1O)=C(/C=N/NC(COC(C(Br)=C2)=CC=C2C)=O)C=C1O)=O,0.0
6171,CO-ADD:0157790,16.17,O=C1C2=C(CCC1)OC(CCC3)=C(C3=O)C2C4=CC=CC(Br)=C4,0.0
6172,CO-ADD:0157806,16.16,[O-][N+](C1=C(O)C(/C=N/C2=CC=CC3=CC=CN=C23)=CC(C)=C1)=O,0.0
6173,CO-ADD:0157303,16.16,[O-][N+](C1=CC(CC)=CC=C1OCC(N/N=C/C2=CC(C=CC=C3)=C3C=C2)=O)=O,0.0
6174,CO-ADD:0157486,16.16,NC1=NN2C(C3=CC(Cl)=CC(Cl)=C3N=C2C)=N1,0.0
6175,CO-ADD:0157553,16.16,CC1(C)CC2[C@H](CSC(C)=O)CC[C@H]3[C@](C)(O3)CCC21,0.0
6176,CO-ADD:0157585,16.16,O=C(NC1=CC=NC=C1)C2=C(Cl)C=C(Cl)C=C2,0.0
6177,CO-ADD:0157497,16.16,O=C(COC(C=C1)=CC=C1I)N/N=C/C2=CC=C(OCCCC)C=C2,0.0
6178,CO-ADD:0157318,16.16,[O-][N+](C1=C(O)C(/C=N/C2=CC3=C(C=C2)N=C(C(F)(F)F)N3)=CC([N+]([O-])=O)=C1)=O,0.0
6179,CO-ADD:0157338,16.16,OC1=C(C=CC=C1)/C=N/NC2=NC(N3CCOCC3)=NC(NCC4=CC=CC=C4)=N2,0.0
6180,CO-ADD:0156994,16.16,N#CC1=C(SCC(NC2=CC=C(OC)C=C2)=O)N=C(CC)C(C)=C1,0.0
6181,CO-ADD:0157202,16.16,O=C(C1=CC=CC=C1)NC(C(C)C)C(OCC2=CN=C(C3=CC=CC=C3)O2)=O,0.0
6182,CO-ADD:0157276,16.16,O=C(NC1=CC=CC=C1)CSCC(C2=CC3=C(C=C2)C(C=CC=C4)=C4C3)=O,0.0
6183,CO-ADD:0157116,16.16,[O-][N+](C(C=C1[N+]([O-])=O)=C(C=C1)OC(C=C2)=CC=C2/C=N/C3=CC(C4=NC(C=C5C)=C(C=C5)O4)=C(O)C=C3)=O,0.0
6184,CO-ADD:0156996,16.16,N#CC1=C(SCC(NCC2=CC=CC=C2)=O)N=C(N)N=C1SC,0.0
6185,CO-ADD:0157028,16.16,N#CC1=C(SCC(NCC2=CC=CC=C2)=O)N=C(C3=CC=CC=C3)C=C1C(C=C4)=CC=C4OC,0.0
6186,CO-ADD:0157093,16.15,N#CC1=C(SCC(C2=CC=CC=C2)=O)N=C(N)N=C1SC,0.0
6187,CO-ADD:0157117,16.15,[O-][N+](C(C=C1)=CC=C1C(NC2=CC=C(C=C2)C(NC3=CC=CC=C3C)=O)=O)=O,0.0
6188,CO-ADD:0157341,16.15,[O-][N+](C1=CC=C(C(/C=N/NC([C@H](C(C)CC)NC(C2=CC=CC=C2)=O)=O)=C1)O)=O,0.0
6189,CO-ADD:0164017,16.15,O=C1N(S(=O)(C2=CC=C(C)C=C2)=O)N(S(=O)(C3=CC=C(C)C=C3)=O)CC1C,0.0
6190,CO-ADD:0163044,16.15,N(c1ccccc1C)(c2ccc(c3c2)cccc3)C(=O)c4ccc(cc4)N,0.0
6191,CO-ADD:0163068,16.15,[N+](=O)([O-])c1ccccc1N\N=C(/C#N)\C(=N)N(CC2)CCO2,0.0
6192,CO-ADD:0163092,16.15,S(=O)(=O)(c1c(C)ccc(c1)C(=O)Nc2ccccc2)Nc3cc(Br)cc(cccn4)c34,0.0
6193,CO-ADD:0163229,16.15,c1(OCC(=O)N\N=C\C=C\c2ccco2)c(OC)cc(cc1Br)Br,0.0
6194,CO-ADD:0163301,16.15,c1(c(O)c(\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
6195,CO-ADD:0161571,16.15,C(COc(cc1)ccc1I)(=O)N\N=C\c2cccc(cccc3)c23,0.0
6196,CO-ADD:0161627,16.14,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(=O)C(O)c3ccccc3,0.0
6197,CO-ADD:0155999,16.14,[O-][N+](C(C=C(Cl)C=C1)=C1NCC(C)NC(C(C(Cl)=C2)=CC(F)=C2F)=O)=O,0.0
6198,CO-ADD:0156007,16.14,O=C(N1)/C(C2=C1C=CC(Br)=C2)=N/C3=CC=CC(C(O)=O)=C3,0.0
6199,CO-ADD:0161340,16.14,C1(C#N)=C(N)OC(=C2C1c(ccc(c3[N+](=O)[O-])Cl)c3)CCCC2=O,0.0
6200,CO-ADD:0155968,16.14,O=C(NC1=CC=CC=C1)CC(N(CC2=CC=CC=C2)C3=C4C=CC=C3)=C4SC,0.0
6201,CO-ADD:0163101,16.14,C(C#N)(C(c1ccccc1)c(ccc(c2)N)c2O3)=C3N,0.0
6202,CO-ADD:0158392,16.14,O=C(NC1=CC=C(C=C1)C(N/N=C/C2=CNC3=CC=CC=C23)=O)C(C=CC=C4)=C4Br,0.0
6203,CO-ADD:0158464,16.14,O=S(N1CCOCC1)(C(C=C2)=CC=C2OC3=CC=C(C=C3)NC(C4=CC=C(C=C4)[N+]([O-])=O)=O)=O,0.0
6204,CO-ADD:0158032,16.14,O=C(NCCCO)CC1=C(SC2=CC=CC=C2)C(C=CC=C3)=C3N1C,0.0
6205,CO-ADD:0157449,16.14,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCCOC3=C(C(C)C)C=CC(C)=C3,0.0
6206,CO-ADD:0157644,16.13,O=C(C1=C2C=CC=C1)C(C2=N3)=C(C4=CC(Br)=CC=C4)C5=C3C6=C(C=CC=C6)C5=O,0.0
6207,CO-ADD:0160295,16.13,[O-][N+](C1=CSC(/C(C)=N/NC(COC2=C(Cl)C=C(Cl)C=C2Cl)=O)=C1)=O,0.0
6208,CO-ADD:0154996,16.13,N#CC(C(C(F)(F)F)=C1)=C(SCC2=CC=CC=C2)N=C1C3=CC=CS3,0.0
6209,CO-ADD:0155044,16.13,[O-][N+](C(C(C1=CC=CO1)NC2C3=CC=CO3)=NN2C(C=C4)=CC=C4C)=O,0.0
6210,CO-ADD:0155060,16.13,ClC1=NSS/C1=N\C(N=C2)=CC=C2C,0.0
6211,CO-ADD:0155300,16.13,O=C(C(C=C1)=CC=C1C)NC2=CC=CN=C2,0.0
6212,CO-ADD:0155236,16.13,O=C1NC(C(C)=CC=C2)=C2/C1=N/NC(C(C=CC=C3)=C3O)=O,0.0
6213,CO-ADD:0159797,16.13,[O-][N+](C(C=C1)=CC=C1/C(C)=N\NC2=NC(N3CCCCC3)=NC(N4CCCCC4)=N2)=O,0.0
6214,CO-ADD:0159762,16.13,O=C1C(Cl)=C(C(NC(C2=CC=CC=C2)=O)O1)N3N=NC(CO)=C3,0.0
6215,CO-ADD:0160490,16.13,O=S(NN1C=NN=C1)(C(C=C2)=CC=C2C)=O,0.0
6216,CO-ADD:0160096,16.13,O=C(N/N=C/C1=C(O)C=C(C)C=C1)C(N=C2C3=CC=CC=C3)=NN2C4=CC=CC=C4,0.0
6217,CO-ADD:0161103,16.13,C(=O)(NCC(=O)N\N=C\c(cc1)ccc1N(CC)CC)c2ccco2,0.0
6218,CO-ADD:0161127,16.12,c1(ccc(\C=N\NC(=O)\C(=C\c(cc2)ccc2N(CC)CC)\NC(c3ccccc3)=O)o1)c4cc(Cl)ccc4Cl,0.0
6219,CO-ADD:0160589,16.12,S=C(S/1)N(CNC(C=C2)=CC=C2I)C(C1=C/C3=CC=C(C(Cl)=C3)Cl)=O,0.0
6220,CO-ADD:0158465,16.12,O=C(NC1=CC=C(C=C1)C(N/N=C/C2=C(C=CC=C3)C3=CC4=C2C=CC=C4)=O)C(C=CC=C5)=C5Br,0.0
6221,CO-ADD:0160594,16.12,S=C(S/1)N(CNC2=C(C)C=C(C)C=C2)C(C1=C\C3=CC(Cl)=C(Cl)C=C3)=O,0.0
6222,CO-ADD:0156929,16.12,O=C(NC1=CC=C(C=C1)C(N)=O)C2=C(N)C(C(C)=C3)=C(N=C3C(F)(F)F)S2,0.0
6223,CO-ADD:0158351,16.12,O=C(C1C(C2=CC=C(Br)C=C2)C3C(N(N=C3C)C(C=CC=C4)=C4Br)=O)N(C5=CC=CC=C5Br)N=C1C,0.0
6224,CO-ADD:0158367,16.12,S=C(OC1=CC=C(C=C1)C(NC2=CC=CC=C2)=O)NC3=CC=C(C)C=C3,0.0
6225,CO-ADD:0158458,16.12,O=C(N/N=C/C1=C(OC)C=C(OC)C=C1)C2=CC(Br)=C(OC)C=C2,0.0
6226,CO-ADD:0160388,16.12,[O-][N+](C(C=C1)=CC=C1C(OC(C(/C=N/NC(COC(C(Br)=C2)=CC=C2Cl)=O)=C3)=CC=C3Br)=O)=O,0.0
6227,CO-ADD:0159766,16.12,O=S(NC1C(Cl)=C(C(O1)=O)OC2=CC=CC=C2)(C(C=CC=C3)=C3C)=O,0.0
6228,CO-ADD:0160070,16.12,ClC(C=C(Cl)C=C1)=C1/C=N/NC2=NC(NCC3=CC=CC=C3)=NC(N(C)C)=N2,0.0
6229,CO-ADD:0161072,16.12,C(CNc(cc1)ccc1I)(=O)N\N=C\c2ccccc2,0.0
6230,CO-ADD:0161080,16.12,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(CNc3cccc(cccc4)c34)=O)o1,0.0
6231,CO-ADD:0154820,16.12,O=C(CC1=CC=CC=C1)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(C5=CC=C(C=C5)C6=NC(C(C=C7)=CC=C7NC(CC8=CC=CC=C8)=O)=NC9=CC=CC=C69)=N3,0.0
6232,CO-ADD:0154776,16.11,O=C(NC1=CC=C(C(C)=C1)C)C2=CC(C(NC3=CC=C(C(C)=C3)C)=O)=CC=C2,0.0
6233,CO-ADD:0154832,16.11,O=C(C1=C2C=CC(C(OC3=CC=C(C=C3)OC(C4=CC5=C(C=C4)C(N(C(C=CC=C6)=C6C(O)=O)C5=O)=O)=O)=O)=C1)N(C2=O)C(C=CC=C7)=C7C(O)=O,0.0
6234,CO-ADD:0163046,16.11,c1(C#N)c2c(sc1\N=C\c3ccc(Br)s3)CCCC2,0.0
6235,CO-ADD:0157167,16.11,[O-][N+](C1=CC(/C=N/NC(N)=S)=C(C=C1)N(CCC2)CC2C(N(CC)CC)=O)=O,0.0
6236,CO-ADD:0158127,16.11,O=C(N/N=C/C1=CC=C(C=C1)OCC2=CC=C(Cl)C=C2)C(NC3CCCCC3)=O,0.0
6237,CO-ADD:0160201,16.11,O=C(C)NC1=CC=C(C=C1)/N=C/C2=CC(Cl)=CC(Br)=C2O,0.0
6238,CO-ADD:0158479,16.11,O=S(C1=C(C)C=CC(C(NC2=CC(O)=CC=C2)=O)=C1)(N3CCOCC3)=O,0.0
6239,CO-ADD:0163543,16.11,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3)c4ccco4,0.0
6240,CO-ADD:0157433,16.11,O=C1N(CCCCCCCCCCCCCCCCCC)C(C2=CC=C3CCC4=CC=C1C2=C43)=O,0.0
6241,CO-ADD:0160083,16.11,ClC1=C(Cl)C=CC(C(N2)=NC(C3=CC=CC=C3)=C2C4=CC=CC=C4)=C1,0.0
6242,CO-ADD:0159851,16.11,[O-][N+](C1=CC2=C(C=C1)N=C(SC3=CC=C(/C=N/NC(C4=CC=NC=C4)=O)O3)S2)=O,0.0
6243,CO-ADD:0160582,16.11,O=C(N/N=C/[C@H]1[C@H](C2)C=C[C@H]2C1)C(C=C3)=CC=C3NC(C)=O,0.0
6244,CO-ADD:0159846,16.11,[O-][N+](C1=CC(OC)=CC=C1N[C@@H](O[C@@H]2CO)[C@@H](O)[C@@H]2O)=O,0.0
6245,CO-ADD:0160102,16.11,O=C(C1=CC=CC(OC)=C1)NC2=C(C(OCC)=O)C(CCCC3)=C3S2,0.0
6246,CO-ADD:0159894,16.11,NC1=NC(N)=NC(C2=CC=C(C=C2)C3=NC(N)=NC(N)=N3)=N1,0.0
6247,CO-ADD:0160158,16.1,O=C1C(C(C(C(CC2(C)C)=O)C(C2)=O)C3=COC(C)=C3)=C(O)CC(C)(C)C1,0.0
6248,CO-ADD:0160598,16.1,O=C(CSCC1=CC=CC=C1Br)N/N=C/C2=CC=C3OCOC3=C2,0.0
6249,CO-ADD:0161066,16.1,C(=O)(N\N=C\c(cc1)ccc1OCCC)c2ccc(cc2)OCC=C,0.0
6250,CO-ADD:0161525,16.1,c1(C(OCC)=O)oc(c2c1c3ccccc3)cc(c(O)c2CN(C)C)CN(C)C,0.0
6251,CO-ADD:0161533,16.1,c(cc(I)cc1I)(\C=N\c(ccc(c2OC)OC)c2)c1O,0.0
6252,CO-ADD:0161269,16.1,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCc(cc3)ccc3C(C)(C)C)c4ccccc4,0.0
6253,CO-ADD:0158082,16.1,O=C(N/N=C/C(C=C1)=CC=C1C)CN(C)C2=CC=CC=C2,0.0
6254,CO-ADD:0157714,16.1,O=C(C1)N(C(C=C2)=CC=C2C)CC1C(NC3=NC=CC=C3)=O,0.0
6255,CO-ADD:0157664,16.09,S=C(NC1=O)NC(C1=CC(C=C2)=CC=C2C)=O,0.0
6256,CO-ADD:0158072,16.09,O=C(OC(C=C1)=CC=C1/C=N/CC2=CC=CC=C2)/C=C/C3=CC=C(Br)C=C3,0.0
6257,CO-ADD:0158059,16.09,O/C(C(C=C1)=CC=C1Cl)=C\C=N\C(C=CC=C2)=C2OC,0.0
6258,CO-ADD:0157675,16.09,O=C(OCC)C1=C(/N=C/C2=C(O)C(Br)=C(O)C(Br)=C2)SC3=C1CCCC3,0.0
6259,CO-ADD:0159759,16.09,N#CC1(C#N)C(N)=C(C2=CCN(CC3=CC=CC=C3)C[C@@]2([H])[C@]1([H])C4=CC=C(C=C4)[N+]([O-])=O)C#N,0.0
6260,CO-ADD:0159867,16.09,O=S(C(C1=NSN=C12)=CC=C2C)(NCCC3=CC=CC=C3)=O,0.0
6261,CO-ADD:0160020,16.09,ClC1=CC(Cl)=CC=C1/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N(CC)CC)=N2,0.0
6262,CO-ADD:0160028,16.09,BrC1=CC(/C=N/C2=CC(N=C(C3=CC=C(OC)C=C3)O4)=C4C=C2)=CC=C1OC,0.0
6263,CO-ADD:0160412,16.09,CCN(CC)C(C=C1)=CC=C1/C=N/C2=NC(/N=C\C3=CC=C(C=C3)N(CC)CC)=NC(/N=C/C4=CC=C(N(CC)CC)C=C4)=N2,0.0
6264,CO-ADD:0159980,16.09,[O-][N+](C1=CC(/C=N/N=C(S/2)\NC(C2=C\C3=C(Cl)C=C(Cl)C=C3)=O)=CC=C1)=O,0.0
6265,CO-ADD:0155416,16.09,[O-][N+](C1=CC(C)=C(C2=C1)NC(C2=O)=O)=O,0.0
6266,CO-ADD:0158762,16.09,O=C(N/N=C/C1=CC=NC=C1)CC2=NN=C(N)S2,0.0
6267,CO-ADD:0155524,16.08,O=C(N/N=C/C1=CC=C(C(OC)=C1)OC(C2=CC=CC=C2)=O)C3OC(C=CC=C4)=C4OC3,0.0
6268,CO-ADD:0155540,16.08,O=C(N(N=C1C)C(C=C2C)=CC=C2C)C31C4(C(N(N=C4C)C(C=C5C)=CC=C5C)=O)C3C6=CC=CC=C6Cl,0.0
6269,CO-ADD:0154865,16.08,OC1(C2)NC3=NC(C=CC=C4)=C4N3[C@@H]2[C@H]5CO[C@@H]1O5,0.0
6270,CO-ADD:0156494,16.08,O=C(OCCCCCCC)NC1=C(C)C=CC(NC(OCCCCCCC)=O)=C1,0.0
6271,CO-ADD:0157731,16.08,O=C(N/N=C/C1=CC=C(C=C1)I)C(NC2=CC(C)=CC=C2)=O,0.0
6272,CO-ADD:0157435,16.08,O=C(CC1=CC=CC2=CC=CC=C12)N/N=C/C3=CC=C(SC4=C5N=CC=CC5=CC=C4)O3,0.0
6273,CO-ADD:0157684,16.08,BrC1=CC=C(C=C1)C2OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5N2,0.0
6274,CO-ADD:0155293,16.08,O=C(C1=CC=CC2=CC=CC=C12)NC3=CC=C(C=C3)C(NC(C=C4)=CC=C4NC(C5=CC=CC6=CC=CC=C56)=O)=O,0.0
6275,CO-ADD:0155309,16.07,S=C(OC1=CC(C(NC2=C(C=CC=C3)C3=CC=C2)=O)=CC=C1)NC4=CC=CC=C4C,0.0
6276,CO-ADD:0160333,16.07,O=C(C1=CC=CC(C)=C1)OC2=CC=C(C=C2)C3=CC=CC(C(C=C4)=CC=C4OC(C5=CC=CC(C)=C5)=O)=N3,0.0
6277,CO-ADD:0160373,16.07,FC(C(F)(F)C(Cl)(F)F)(F)C(F)(F)C(F)(F)C(NC(CCCCNC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)F)=O)C([O-])=O)=O.[Na+],0.0
6278,CO-ADD:0160512,16.07,O=C(N/N=C/C1=C(C)C(Br)=C(C(C)=C1O)O)/C(NC(C2=CC=CC=C2)=O)=C\C3=CC=CS3,0.0
6279,CO-ADD:0160545,16.07,O=C(C1=CC=CC(C)=C1)OC2=C(/C=N/NC(COC3=CC=C(C=C3)C(C)(C)CC(C)(C)C)=O)C=C(Br)C=C2Br,0.0
6280,CO-ADD:0160308,16.07,O=C1NC(C(Br)=CC(C)=C2)=C2/C1=N/NC(C3=CC=C(Cl)C=C3)=O,0.0
6281,CO-ADD:0160508,16.07,O=C1C2=C(CC(C)(C)C1)N(C(CC(C)(C)C3)=C(C3=O)C2C4=CC=CC=C4)CCCCCCCC,0.0
6282,CO-ADD:0160632,16.07,O=C(OC(C=C1)=CC=C1Br)NC2=CC(C)=CC=C2,0.0
6283,CO-ADD:0160656,16.07,C(N=C1CCCC1)(C2=CC=C3)=CC=CC2=C3N=C4CCCC4,0.0
6284,CO-ADD:0155987,16.07,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC3=CC(C(F)(F)F)=C(Cl)C=C3,0.0
6285,CO-ADD:0156035,16.07,O=C(NN=C1CCC(C2=CC=CC=C2)CC1)C3=CC=CC=C3O,0.0
6286,CO-ADD:0160217,16.07,O=C(N/N=C/C1=C(O)C(CC=C)=CC=C1)C(C2=CC=CC=C2)(O)C3=CC=CC=C3,0.0
6287,CO-ADD:0160609,16.07,O=C(C1=CC=CO1)N2C3=C(C(NC4=CC=CC=C4)CC2C)C=CC=C3,0.0
6288,CO-ADD:0157701,16.06,N#CC1=C(N)OC(NN=C2C)=C2C1C3=CC=CC=C3,0.0
6289,CO-ADD:0158093,16.06,O=C(COC1=CCCC1)N/N=C/C2=CC=C(C)O2,0.0
6290,CO-ADD:0157424,16.06,O=C(C(C)(C)C)NC1=C(Cl)C=CC(C(F)(F)F)=C1,0.0
6291,CO-ADD:0157708,16.06,[O-][N+](C1=CC=C2N=C(SC3=CC=C(/C=N/NC(C4=C(Cl)C=C(Cl)C=C4)=O)O3)SC2=C1)=O,0.0
6292,CO-ADD:0156932,16.06,O=C(C1CC=CC(C)C21)N(C(C=C3)=CC=C3C(O)=O)C2=O,0.0
6293,CO-ADD:0154998,16.06,N#CC1=C(C2=CC=NC=C2)C(CCC3)=C3NC1=S,0.0
6294,CO-ADD:0160516,16.06,N(C1=C2C=CC=C1)(C3=C2C=CC=C3)CN(C4=C5C=CC=C4)C6=C5C=CC=C6,0.0
6295,CO-ADD:0160674,16.06,O=C(CNC(C=C1)=CC=C1I)N/N=C/C2=CC(OC)=CC=C2O,0.0
6296,CO-ADD:0160123,16.06,O=C(CC1)N(C1=O)CN(C(C)=O)C2=CC=CC=C2OC,0.0
6297,CO-ADD:0160423,16.06,[O-][N+](C(C=C1)=CC=C1/C=N/NC(C(C=C2)=CC=C2NC(CCCCCC)=O)=O)=O,0.0
6298,CO-ADD:0160431,16.06,C(/C=N/C1=CC=C(C=C1)C(C=C2)=CC=C2/N=C/C3=CC=CC=C3SC4=CC=CC=C4)(C=CC=C5)=C5SC6=CC=CC=C6,0.0
6299,CO-ADD:0160439,16.06,O=C(N1C2=CC=CC=C2)C(NC(C(F)(F)C(F)(F)C(F)(F)C(F)F)=O)=CN1C,0.0
6300,CO-ADD:0160379,16.06,O=C(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)N/N=C(C)\C(C=C2)=CC=C2O,0.0
6301,CO-ADD:0160238,16.05,O=C(N/N=C/C(C=C1)=CC=C1O)CSC2=NN=NN2C3=CC=CC=C3,0.0
6302,CO-ADD:0160607,16.05,N#CC(NC(OC)=O)=C(NCC1=CC=CC=C1)NCC2=CC=CC=C2,0.0
6303,CO-ADD:0160615,16.05,N#CC1=C(N=C(COC)C=C1C)SCC(C2(C[C@@H]3C4)C[C@@H]4C[C@@H](C3)C2)=O,0.0
6304,CO-ADD:0160152,16.05,O=C(N/N=C/C1=CC(Br)=CC=C1OCC)C2=CC=C3C(C=CC=C3)=N2,0.0
6305,CO-ADD:0160192,16.05,[O-][N+](C1=C(O)C(/C=N/C2=CC=C(C=C2)N3CCOCC3)=CC(C)=C1)=O,0.0
6306,CO-ADD:0163039,16.05,c1(sccn1)\N=C\c(cccn2)c2,0.0
6307,CO-ADD:0163256,16.05,C1(C(=O)N\N=C\c2ccccc2)CC1c3ccccc3,0.0
6308,CO-ADD:0163560,16.05,c1(O)c(OCC)cc(cc1Br)\C=N\NC(COc2c(C)cccc2C)=O,0.0
6309,CO-ADD:0163592,16.05,N(/c1cccc(C)c1)=C\c(cc2)ccc2OCc3ccccc3,0.0
6310,CO-ADD:0163632,16.05,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(COc2ccc(cc2Br)OC)=O)c1,0.0
6311,CO-ADD:0155070,16.04,O=C(C)O[C@@H]([C@H](SC1=NC=CC=C1)O[C@H]2C)[C@H](OC(C)=O)[C@H]2OC(C)=O,0.0
6312,CO-ADD:0155350,16.04,O=C(C1=CC(C)=CC=C1)NC2=CC=C(C=C2)C(NC3=CC=CC=C3OCC)=O,0.0
6313,CO-ADD:0157390,16.04,[O-][N+](C1=CC(Br)=C(O)C(/C=N/C2=C(C)C=CC([N+]([O-])=O)=C2)=C1)=O,0.0
6314,CO-ADD:0156918,16.04,O=C(N(C1=CC=CC=C1)C2=CC=CC3=CC=CC=C23)C4=C(N)C(C=C5)=C(N=C5C6=CC=CS6)S4,0.0
6315,CO-ADD:0157422,16.04,O=C(CN1CCN(CC(NC2=CC=C(Br)C=C2)=O)CC1)NC3=CC=C(Br)C=C3,0.0
6316,CO-ADD:0155743,16.04,[O-][N+](C1=CC(/C(C(N2)=O)=N/NC(C(C=C3)=CC=C3Br)=O)=C2C=C1)=O,0.0
6317,CO-ADD:0160259,16.04,O=C(N/N=C/C(C=C1)=CC=C1OCC)CN2N=NC3=C2C=CC=C3,0.0
6318,CO-ADD:0161279,16.04,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c3ccc(cc3)SC,0.0
6319,CO-ADD:0161499,16.04,c(C(c1ccccc1)=O)(c(N)c(c23)cc(c(N)n2)C#N)s3,0.0
6320,CO-ADD:0161123,16.03,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(OCC)ccc2O)=C\c3cccs3,0.0
6321,CO-ADD:0161147,16.03,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CNc2ccccc2)=O,0.0
6322,CO-ADD:0154938,16.03,N#CC1=C(N)OC(C=C(N)C=C2)=C2C1C3=CC(Cl)=C(Cl)C=C3,0.0
6323,CO-ADD:0154877,16.03,N#CC1=C(N)OC(NN=C2C)=C2C1C3=CC=C(C)S3,0.0
6324,CO-ADD:0163648,16.03,c(\C=N\NC(=O)Cc1cccc(cccc2)c12)(cc(I)cc3I)c3O,0.0
6325,CO-ADD:0163273,16.03,C1(C(c(c2)cc(c(O)c2C(C)(C)C)C(C)(C)C)C3=C(C)N(N(c4ccccc4)C3=O)C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
6326,CO-ADD:0163033,16.03,N1(CCCCN2C(=O)C(NC2=O)(C)c3ccc(cc3)OCCCC)C(=O)C(NC1=O)(C)c4ccc(cc4)OCCCC,0.0
6327,CO-ADD:0163522,16.03,C(=O)(Oc1cccc(c1)\C=N\NC(COc2cccc(C)c2)=O)c3ccco3,0.0
6328,CO-ADD:0163290,16.03,c1(\C=N\NC(CNc2cccc(cccc3)c23)=O)cc(C)ccc1O,0.0
6329,CO-ADD:0155287,16.03,O=C(NC(C=C1)=CC=C1OC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(C4=CC=CC5=CC=CC=C45)=O)C6=CC=CC7=CC=CC=C67,0.0
6330,CO-ADD:0155335,16.03,O=C(NC1=CC=CC=C1)NC2=NN=C(CCCCC)S2,0.0
6331,CO-ADD:0155016,16.03,N#CC1=C(N)OC(C2=NC=CC=C2C=C3)=C3C1C(C=CC=C4)=C4F,0.0
6332,CO-ADD:0155736,16.03,O=C(C(C=C1)=CC=C1Cl)N(C2=CC=CC=C2)C3=NC(C4=CC=CC=C4)=C(C)S3,0.0
6333,CO-ADD:0155673,16.03,[O-][N+](C1=CC=CC(C2=CC=C(/C=N/C3=CC(N=C(C4=CC=CC(Cl)=C4)O5)=C5C=C3)O2)=C1)=O,0.0
6334,CO-ADD:0155305,16.03,S=C(NC1=CC=C(C=C1)C(C)=O)OC2=CC(C(NC(C=CC=C3)=C3Cl)=O)=CC=C2,0.0
6335,CO-ADD:0161259,16.03,C(C#N)([C@@H](c1ccc(cc1)F)[C@@H](S2)C(=O)c3ccc(cc3)F)=C2N,0.0
6336,CO-ADD:0161328,16.03,c1(C#N)c(c2cccs2)cc(nc1SCC(=O)CC(OCC)=O)c3cccs3,0.0
6337,CO-ADD:0161460,16.02,c1(SCC(=O)NCc2ccccc2)[nH]c(c3n1)cccc3,0.0
6338,CO-ADD:0161484,16.02,C(/C(OC)=O)(\C(OC)=O)=C\C(\OCC)=C\N(C)C,0.0
6339,CO-ADD:0159815,16.02,O=S1(/C(C(N(C2=CC=C(Cl)C=C2)C1C3=CC=C(Cl)C=C3)=O)=C/C4=CC=C(C=C4)N(C)C)=O,0.0
6340,CO-ADD:0161129,16.02,C(=N\NC(COc1c(Br)cc(cc1Br)C)=O)(/c(cc(C)cc2)c2N3C)\C3=O,0.0
6341,CO-ADD:0160274,16.02,O=C(NCCCCCC(N/N=C/C1=CC=C(C)O1)=O)C(C=C2OC)=CC=C2OC,0.0
6342,CO-ADD:0155439,16.02,S=C(OC1=CC=C(C=C1)C(NC2=C(C)C(C)=CC=C2)=O)N3CCCCC3,0.0
6343,CO-ADD:0155455,16.01,O=C(N/N=C/C(C)=C\C1=CC=C(C=C1)/C=C(C)\C=N\NC(C(C2)C2(C3=CC=CC=C3)C4=CC=CC=C4)=O)C5C(C6=CC=CC=C6)(C7=CC=CC=C7)C5,0.0
6344,CO-ADD:0155509,16.01,O=C(C(C=C1)=CC=C1OC)CC(NC2=CC=C(Br)C=C2)C(C=C3OC)=CC=C3OC,0.0
6345,CO-ADD:0158665,16.01,O=C1/C(N=C(C2=CC=C3OCOC3=C2)O1)=C/C4=CC=CC=C4Cl,0.0
6346,CO-ADD:0155533,16.01,IC1=CC(/C=N/C2=CC(C(O3)=NC4=C3C=C(C)C(C)=C4)=CC=C2)=CC=C1,0.0
6347,CO-ADD:0163642,16.01,c1(O)c(Br)cc(cc1Br)\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
6348,CO-ADD:0163515,16.01,C(=N/NC(COc(cc1)c(C)cc1C(C)(C)C)=O)(/c(cc(C)cc2)c2N3C)\C3=O,0.0
6349,CO-ADD:0163555,16.01,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
6350,CO-ADD:0163651,16.01,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)Cc2cccc(cccc3)c23)O)c1,0.0
6351,CO-ADD:0163659,16.01,c1(\C=N\NC(COc2c(C)cccc2C)=O)c(C)cc(cc1O)O,0.0
6352,CO-ADD:0158421,16.01,O=C(C(C=C1)=CC=C1NC(CCC)=O)NC2=CC=CC=C2C,0.0
6353,CO-ADD:0155257,16.01,CC([C@H]1C[C@H](C2)C3)[B@-]3(C[C@H]2C1)[N+]4(C[C@@H]5C6)C[C@@H]6C[C@@H](C5)C4,0.0
6354,CO-ADD:0155682,16.01,O=C(NCC(N/N=C/C1=CC=C(C2=CC=C(C(Cl)=C2)Cl)O1)=O)C(C=CC=C3)=C3Br,0.0
6355,CO-ADD:0155738,16.01,C12=NC(C3=CC=CC=C3)=CN1CCS2,0.0
6356,CO-ADD:0158459,16.01,O=S(C1=CC=C(C(C(NC(C=C2)=CC=C2Br)=O)=C1)Cl)(NC3=CC=C(C=C3)C(C)=O)=O,0.0
6357,CO-ADD:0155298,16.01,OC1=C(Br)C(C)=NC2=NC(N)=NN21,0.0
6358,CO-ADD:0155067,16.0,O[C@@H]([C@@H]([C@@H]1O[C@@H]2OC)OC(OC1)C(C=C3)=CC=C3OC)[C@H]2OCC4=CC=CC=C4,0.0
6359,CO-ADD:0161513,16.0,C1(=O)Oc(c(c2)S1)cc(c2OC(=O)NC3CCCCC3)Br,0.0
6360,CO-ADD:0160473,16.0,O=C(CC1=CC=CC=C1)NC2=NC=CS2,0.0
6361,CO-ADD:0160522,16.0,O=S(NNC(CCCCCCCCCCCCC)=O)(C1=CC=C(CCCl)C=C1)=O,0.0
6362,CO-ADD:0160442,16.0,[O-][N+](C1=CC(/C=C2C(N/C(S\2)=N/N=C/C(C=CC=C3)=C3Cl)=O)=CC=C1Cl)=O,0.0
6363,CO-ADD:0159934,16.0,N#CCC(N/N=C/C1=CC=C(N2CCOCC2)O1)=O,0.0
6364,CO-ADD:0160401,16.0,O=S(C1=CC=C(C([N+]([O-])=O)=C1)C)(OC(C=C2)=CC=C2/C=N/NC(C(N/N=C/C3=CC=C(C=C3)OS(C4=CC=C(C([N+]([O-])=O)=C4)C)(=O)=O)=O)=O)=O,0.0
6365,CO-ADD:0159858,16.0,[O-][N+](C1=CC(OCO2)=C2C=C1/C=N/NC(CN3N=C(C4=CC=CC=C4)N=N3)=O)=O,0.0
6366,CO-ADD:0159914,16.0,O=C(C1=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=CC=C31)N(C4=CC=C(I)C=C4)C3=O,0.0
6367,CO-ADD:0159755,16.0,N#CC1(C#N)C(N)=C(C2=CCN(CCC)C[C@@]2([H])[C@]1([H])C3=CC=C(C=C3)[N+]([O-])=O)C#N,0.0
6368,CO-ADD:0160104,16.0,O=C(C1N2CCN(C3=CC=C(F)C=C3)CC2)N(C4=CC=CC5=C4C=CC=C5)C(C1)=O,0.0
6369,CO-ADD:0159889,16.0,O=C(C(C=C1)=C2C3=CC=CC2=C1N4CCOCC4)N(C(C=C5)=CC=C5C(OC)=O)C3=O,0.0
6370,CO-ADD:0157226,16.0,O=C(NC1CC1)C2C3C2C4C5C3C6C4C6C5,0.0
6371,CO-ADD:0157127,15.99,O=C1C2=C(NC)C(Cl)=CC3=NC(C=C4)=C(C=C4C)C(C5=C1C=CC=C5)=C23,0.0
6372,CO-ADD:0157335,15.99,O=C(N/N=C/C1=CC=C(C)O1)COC2=CC(C)=CC=C2C(C)C,0.0
6373,CO-ADD:0157151,15.99,O=C(N/N=C/C1=CC=CC2=CC=CC=C12)C(NC3=CC(Cl)=CC=C3C)=O,0.0
6374,CO-ADD:0157917,15.99,OC1=CC=CC=C1/C=N/NC2=NC(NC3=CC=CC=C3)=NC(NC4=C(C)C=C(C)C=C4)=N2,0.0
6375,CO-ADD:0157458,15.99,O=C(C1=C2C=CC=C1)C(C2=O)=CNC3=CC=C(C=C3)C(OC)=O,0.0
6376,CO-ADD:0157554,15.99,CC1(C)CC2[C@H](CS)CC[C@H]3[C@](C)(O3)CCC21,0.0
6377,CO-ADD:0157578,15.99,O=C(N(CC)CC)N1CCN(C(C=C2)=CC=C2NC3=CC=NC4=CC5=C(C=CC=C5)C=C34)CC1,0.0
6378,CO-ADD:0157858,15.99,OC1=CC=C(C)C=C1/C=N/C2=CC(N=C(C(C=C3)=CC=C3C(C)(C)C)O4)=C4C=C2,0.0
6379,CO-ADD:0157591,15.99,CC(C)C(CCC(C)C1)C1OP2OC3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5O2,0.0
6380,CO-ADD:0157759,15.99,[O-][N+](C(C=C1)=C(N)C=C1N2CC(NCC2)C)=O.Cl,0.0
6381,CO-ADD:0157891,15.99,CCN(CC)C1=NC(N2CCN(C3=NC=CC=C3)CC2)=C4C(N(C5=CC=CC=C5)N=C4)=N1,0.0
6382,CO-ADD:0157799,15.98,[O-][N+](C1=CC(C)=CC(/C=N/C2=CC3=C(C=C2)OC(C(C=C4)=CC=C4F)=N3)=C1O)=O,0.0
6383,CO-ADD:0157592,15.98,O=C(C1=CC=CC2=C1C=CC=C2)NC(C=C3)=C(C(O)=O)C=C3C4=CC=C(NC(C5=CC=CC6=C5C=CC=C6)=O)C(C(O)=O)=C4,0.0
6384,CO-ADD:0157784,15.98,O=C(C1=CC=NC=C1)N/N=C/C2=CC(Br)=C(Br)O2,0.0
6385,CO-ADD:0157510,15.98,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC3=CC(Cl)=C(NC(C4=CC=CC=C4)=O)C=C3OC,0.0
6386,CO-ADD:0157606,15.98,[O-][N+](C1=CC=C(Cl)C(C2=CC=C(/C=N/C3=C(C(C(Cl)=C4)=CC=C4Cl)N=C5N3C=CC=C5)O2)=C1)=O,0.0
6387,CO-ADD:0157870,15.98,[O-][N+](C1=CC(Cl)=CC(/C=N/C2=CC=C(C=C2)C3=NC(C=C4C)=C(C=C4)O3)=C1O)=O,0.0
6388,CO-ADD:0157782,15.98,O=C(CC1=CC=CC=C1)N/N=C/C2=CC(Br)=C(Br)O2,0.0
6389,CO-ADD:0157525,15.98,O=C(CSCC(C1=CC=CC=C1)=O)NC2=CC(C=CC=C3)=C3C=C2,0.0
6390,CO-ADD:0157457,15.98,O=C(C1=CC=CC=C1)NC2=CC(N)=CC(N)=C2C,0.0
6391,CO-ADD:0157209,15.98,[O-][N+](C1=CC(OC)=CC(/C=N/C2=CC3=C(C=C2)N=CN3)=C1O)=O,0.0
6392,CO-ADD:0157892,15.98,[O-][N+](C1=CC(C)=CC(/C=N/C2=CC=C(OCC)C=C2)=C1O)=O,0.0
6393,CO-ADD:0158610,15.98,O=S(C1=CC(C(NC2=CC=CC=C2C)=O)=CC=C1C)(NC3=CC=CC(C(C)=O)=C3)=O,0.0
6394,CO-ADD:0158618,15.97,O=C(C1=C2C=CC(Br)=C1)N(C3=CC=CC=C3C(OCC(C)C)=O)C2=O,0.0
6395,CO-ADD:0155450,15.97,O=C(N/N=C/C1=CC=CS1)COC(C(Br)=C2)=C(Br)C=C2C,0.0
6396,CO-ADD:0156473,15.97,ClC1=C(C=C(Cl)C=C1)C2=NC3=CC(/N=C/C4=C(O)C=CC(Cl)=C4)=CC=C3O2,0.0
6397,CO-ADD:0156344,15.97,O=C1/C(C2=CC(C)=CC=C2N1C)=N\NC(COC3=CC=C(C=C3C)C(C)C)=O,0.0
6398,CO-ADD:0156477,15.97,N#CC1=C(SCC(NC2=CC=CC(C)=N2)=O)N=C(C3=CC=CC=C3)C=C1C4=CC=CC=C4,0.0
6399,CO-ADD:0243119,15.97,c1(C(=O)N\N=C\c(c2OC)c(CC(CC(=N3)c4ccc(F)cc4)O3)c(c(OCO5)c25)OC)c[nH]c(ccc(F)c6)c16,0.0
6400,CO-ADD:0156125,15.97,O=C(CCC(N/N=C/C1=CC=C(C=C1)I)=O)NC(C=CC=C2)=C2C,0.0
6401,CO-ADD:0155789,15.97,O=C(CNC(C=C1)=CC=C1I)N/N=C/C2=CC=C(C(OC)=C2)OC,0.0
6402,CO-ADD:0155597,15.97,O=C(NC(C=C1)=CC=C1Br)C2=C(N)C(C(C)=C3C)=C(N=C3C)S2,0.0
6403,CO-ADD:0156442,15.97,O=C(NCC(N/N=C/C1=CC=C(O)C=C1)=O)C2=CC=CO2,0.0
6404,CO-ADD:0156149,15.97,O=C(NC(C=C1)=CC=C1CC)CCC(N/N=C/C2=CC3=C(C=C2)OCO3)=O,0.0
6405,CO-ADD:0156181,15.97,O=C(C1=CC=CC=C1)N/N=C(CC2)\C3=C2C=CC=C3,0.0
6406,CO-ADD:0156046,15.97,ClC1=C(C=CC(Cl)=C1)C2=NC3=CC(/N=C/C4=C(Cl)C=C(Cl)C=C4)=CC=C3O2,0.0
6407,CO-ADD:0156318,15.97,O=S(C1=CC(C(NC2=CC=C(C=C2)C(O)=O)=O)=CC=C1Cl)(N(CC)CC)=O,0.0
6408,CO-ADD:0156297,15.97,O=C1N(C2=CC(C(NC(C=CC=C3)=C3OC4=CC(C(O)=O)=C(C(O)=O)C=C4)=O)=CC(C(NC5=CC=CC=C5OC6=CC=C(C(C(O)=O)=C6)C(O)=O)=O)=C2)C(C7=C1C=CC=C7)=O,0.0
6409,CO-ADD:0158712,15.96,O=S(NCC(N/N=C/C1=CC=C(F)C=C1)=O)(C(C=C2)=CC=C2[N+]([O-])=O)=O,0.0
6410,CO-ADD:0155609,15.96,O=C(C(C=C1)=CC=C1NC(CCCCCCCCC)=O)NC2=CC=C(C=C2)C(NCC3=CC=CC=C3)=O,0.0
6411,CO-ADD:0158739,15.96,[O-][N+](C1=C(OC)C=CC(/C=N/NC(COC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)=O)=C1)=O,0.0
6412,CO-ADD:0156248,15.96,ClC1=CC(Cl)=CC(/C=N/C2=CC(Cl)=C(Cl)C=C2)=C1O,0.0
6413,CO-ADD:0156250,15.96,O=CC1=C(C)C(Cl)=C(C)C=C1O,0.0
6414,CO-ADD:0155792,15.96,ClC1=C(C=CC=C1)N(C(C2)C(C(OC)=C3)=CC=C3OC)N=C2C(C=C4)=CC=C4Cl,0.0
6415,CO-ADD:0155563,15.96,[O-][N+](C(C=C1)=CC=C1C2=CC=C(/C=N/NC(C3=CC=C(N=C3)C)=O)O2)=O,0.0
6416,CO-ADD:0156332,15.96,[O-][N+](/N=C(N)\N/N=C/C1=CC=C(C2=CC([N+]([O-])=O)=C(Cl)C=C2)O1)=O,0.0
6417,CO-ADD:0243152,15.96,c(OC)(c(Br)c1C2ON=C(C(=O)OCC)C2C)c(OC3)c(O3)c1,0.0
6418,CO-ADD:0243125,15.96,c1(c2OC)c(OCO1)c(OC)c(c2CC(C)Cl)\C=N\NC(N)=O,0.0
6419,CO-ADD:0155084,15.96,O=S(C(C=C1)=CC=C1C)(NCCCOC(NC2=NON=C2C)=O)=O,0.0
6420,CO-ADD:0156039,15.96,O=C(N/N=C/C1=CC=C(C=C1)C(C)(C)C)C2=CN=CC=C2,0.0
6421,CO-ADD:0155899,15.96,N#CC(C(C(F)(F)F)=CC(C1=CC=CS1)=N2)=C2SCC(NC3=NC(C=CC=C4)=C4S3)=O,0.0
6422,CO-ADD:0243165,15.96,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCCc4cccs4)O3)OC,0.0
6423,CO-ADD:0243069,15.95,c1(c(Br)c(OC)c(c2c1Br)OCO2)C(ON=C3C(=O)N\N=C\c(cccn4)c4)C3C,0.0
6424,CO-ADD:0155863,15.95,O=C(C1=CC=C(Cl)C=C1)N(C2=CC=C(OCC)C=C2)C3=NC(C(C=C4)=CC=C4OC)=C(C5=CC=CC=C5)S3,0.0
6425,CO-ADD:0243160,15.95,c(OC)(c(OC)c1[N+](=O)[O-])c(OCO2)c2c1[N+](=O)[O-],0.0
6426,CO-ADD:0154887,15.95,N#CC1=C(SCCCC)N=C(C2=CC=C(C)C=C2)C=C1C(C=C3)=CC=C3Cl,0.0
6427,CO-ADD:0243168,15.95,c1(c2OC)c(OCO1)c(OC)cc2CC(CC(=N3)CNCC(CC4)CCO4)O3,0.0
6428,CO-ADD:0243033,15.95,C(C(NN)=O)(C1C)=NOC1c(cc(c2c3OC)OCO2)c3OC,0.0
6429,CO-ADD:0243158,15.95,C1(C(O)=O)=NOC(c(cc(c2c3OCO2)OC)c3)C1C,0.0
6430,CO-ADD:0243163,15.95,c(CC(CC(=N1)CO)O1)(c(OC)c(c2c3OCO2)OC)c3Br,0.0
6431,CO-ADD:0243860,15.95,C1=C(C)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)Nc(cc4)c(F)cc4F)=C1O,0.0
6432,CO-ADD:0243932,15.95,C(C)(=C1)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)NCCc4c(ccc5)c(c5)[nH]c4)=C1O,0.0
6433,CO-ADD:0155879,15.95,O[C@]1(C2)NC3=NN=NN3[C@@H]2[C@H]4CO[C@@H]1O4,0.0
6434,CO-ADD:0243603,15.94,c1c(C)nc2c(c(n(ccc3)c3)c(C(=O)N\N=C\c(c(OC)c4c(OCO4)c5OC)c5CC(CC(C(=O)OCC)=N6)O6)s2)c1COC,0.0
6435,CO-ADD:0155927,15.94,O=C(COC1=CC=C(C)C=C1)N/N=C/C2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2,0.0
6436,CO-ADD:0243899,15.94,C(C(=O)N1)(C(c2cc(OC)c(OCO3)c3c2)CC(NCc4ccco4)=O)=C(O)C(C(=O)OCC)=C1,0.0
6437,CO-ADD:0154986,15.94,N#CC1=C([C-](C#N)C#N)NC(C2CC2)(O)C(C1C(C=C3)=CC=C3Br)[N+](C=CC=C4)=C4C,0.0
6438,CO-ADD:0243819,15.94,c1(c(S(=O)(=O)OC2C)c(C2)c(c3c1OCO3)OC)OC,0.0
6439,CO-ADD:0243835,15.94,c(OC)(cc1C(=O)\C=C\Nc(cc2)ccc2OC)c(OCO3)c3c1OC,0.0
6440,CO-ADD:0243907,15.94,C(C(NC=C1C(OCC)=O)=O)(C(c2cc(OC)c(OCO3)c3c2)CC(NCCc(ccc(c4OCC)OCC)c4)=O)=C1O,0.0
6441,CO-ADD:0154498,15.94,O=C1OC(C2=CC=CC=C2)=NC1=CC3=CC=C(C)C=C3,0.0
6442,CO-ADD:0242995,15.93,C1c2c(c(c(OCO3)c3c2)OC)C(N(C1)C)CC(=O)c4c(OC)cc(OC)cc4,0.0
6443,CO-ADD:0243737,15.93,c(NC1=O)(nc2)c(C(C1)c(cc3OC)c(OC)c4c3OCO4)n2c5ccc(cc5)F,0.0
6444,CO-ADD:0154503,15.93,O=C1SC(SCC2=CC=CC=C2)=NC1=NNC,0.0
6445,CO-ADD:0162467,15.93,c12c(OC(=O)S1)c(c(Br)c(O)c2Br)C,0.0
6446,CO-ADD:0243212,15.93,c(\C=N\NC(c(ccnc1)c1)=O)(c2OC)c(CCC)c(OC)c(OCO3)c23,0.0
6447,CO-ADD:0243894,15.93,C(C(=O)N1)(C(c(cc2c(OCO2)c3OC)c3)CC(NCc4cc(Cl)c(Cl)cc4)=O)=C(O)C(C(OCC)=O)=C1,0.0
6448,CO-ADD:0161800,15.93,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(cc(OCO2)c2c3)c3Br)nc4Nc(cc5)ccc5OC)n4,0.0
6449,CO-ADD:0161393,15.92,N1(C=CC(=NC1=O)N)C2CC(C(COP(O)(=O)[O-])O2)O.[Na+],0.0
6450,CO-ADD:0243056,15.92,c1(c(Br)c(OC)c(c2c1Br)OCO2)C(ON=C3C(=O)N\N=C\c(cc4)ccc4F)C3C,0.0
6451,CO-ADD:0161893,15.92,N1(CNc(ccc(c2Cl)C)c2)C(=O)\C(\SC1=S)=C/c(cc3)ccc3C(C)C,0.0
6452,CO-ADD:0155156,15.92,O=C(N/N=C/C1=CC=C(C2=CC(Cl)=C(Cl)C=C2)O1)C3=CC=C(N=C3)C,0.0
6453,CO-ADD:0243618,15.92,c(OC)(cc1C#CBr)c(OCO2)c2c1,0.0
6454,CO-ADD:0155869,15.92,O=C(O)CN1N=NC(CC(C=C2)=CC=C2OCC)=N1,0.0
6455,CO-ADD:0243130,15.91,c(OC)(c1OC)c(CC2CC(C(OCC)=O)=NO2)c(\C=N/NC(C(=CC3=O)N=C4N3C=CS4)=O)c(OCO5)c15,0.0
6456,CO-ADD:0243066,15.91,[N+](=O)([O-])C(C)\C(=N\O)\c(cc(c1c2OCO1)OC)c2,0.0
6457,CO-ADD:0155885,15.91,O=C(C1=C2C=CC=C1)N([C@@H](C3)[C@@H](CO4)O[C@@H]4C3=O)NC2=O,0.0
6458,CO-ADD:0163932,15.91,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c3ccc(cc3C)Cl,0.0
6459,CO-ADD:0163901,15.91,C1(\N=C(/c2c(N3CN(CC4)CCN4Cc5ccccc5)cccc2)\C3=O)=C(C)N(N(c6ccccc6)C1=O)C,0.0
6460,CO-ADD:0162675,15.91,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCc(cc3)ccc3F)c4ccccc4,0.0
6461,CO-ADD:0162307,15.91,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc3ccccc3C)=O,0.0
6462,CO-ADD:0243503,15.91,c(OC1)(c(OC)c([N+](=O)[O-])c2CO)c(O1)c2OC,0.0
6463,CO-ADD:0154338,15.91,NC(OC1=NNC(C)=C1C2C3=CC([N+]([O-])=O)=CC=C3)=C2C#N,0.0
6464,CO-ADD:0154344,15.91,CC1=CN=C2N1C=C(Cl)C=C2,0.0
6465,CO-ADD:0162471,15.91,N(C(C)(C)C)(C(=O)NC(C1(Cl)Cl)(C)OCCCC)C1=O,0.0
6466,CO-ADD:0243712,15.91,N1(CCCC1)CCN(C(=O)C(O)=C2C(=O)c3cc(OC)ccc3)C2c(cc4c5OCO4)c(OC)c5OC,0.0
6467,CO-ADD:0162367,15.91,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3O)OC)c3)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
6468,CO-ADD:0243191,15.91,C(C1ON=C(c(cc2Cl)ccc2)C1)c(c3)c(OC)c(OC)c4c3OCO4,0.0
6469,CO-ADD:0162751,15.91,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)OC)c1,0.0
6470,CO-ADD:0162432,15.91,[N+](=O)([O-])c1ccccc1NC(=O)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
6471,CO-ADD:0162117,15.9,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)NCC2CCCO2,0.0
6472,CO-ADD:0243595,15.9,c(c1C(=O)CC)c(OC)c(OCO2)c2c1,0.0
6473,CO-ADD:0243489,15.9,COc(c(cc(c(o1)nc(n1)Cc2c(c(c(c(OC)c2)O3)OC3)OC)c4)O)c4,0.0
6474,CO-ADD:0155077,15.9,[O-][N+](C1=NC([N+]([O-])=O)=NN1C(CCCC2)C2O)=O,0.0
6475,CO-ADD:0158505,15.9,C1(N2CCOCC2)=NC(NC3=CC=CC4=CC=CC=C34)=NC(N/N=C/C5=CC(OCO6)=C6C=C5)=N1,0.0
6476,CO-ADD:0243314,15.9,C12[C@@](C)(C(=O)\C(=C\c3cc(OC)c(OC4)c(O4)c3)\C1)CCC5C2CC[C@@]([H])(CCC6)[C@]5(C)C6,0.0
6477,CO-ADD:0162344,15.89,C(=O)(c1ccc(cc1)NC(CCCCCCC)=O)Nc2ccc(cc2C)I,0.0
6478,CO-ADD:0162561,15.89,N(c1cccc(Cl)c1C)(C2=O)C(=O)C(C2C3(Br)c4c5cccc4)C5(Br)c(c36)cccc6,0.0
6479,CO-ADD:0162293,15.89,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
6480,CO-ADD:0162686,15.89,c1(C#N)c2c(sc1N)CCCCCCCCCC2,0.0
6481,CO-ADD:0162853,15.89,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc3cccc(Cl)c3)Nc4cccc(Cl)c4,0.0
6482,CO-ADD:0162869,15.89,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc2ccc(cc2C)Cl,0.0
6483,CO-ADD:0162789,15.89,C(=O)(C\C(\C)=N/NC(=O)c1cccc(F)c1)Nc2ccccc2CC,0.0
6484,CO-ADD:0162855,15.89,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
6485,CO-ADD:0162529,15.89,P1(=O)(Oc2ccccc2)N(CC3(CN1CC4(C3=O)C)C)C4,0.0
6486,CO-ADD:0161434,15.89,n1c(c2ccc(cc2)Br)csc1Nc(cc3)ccc3O.Br,0.0
6487,CO-ADD:0163341,15.89,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C(/C)\c2ccc(cc2)C,0.0
6488,CO-ADD:0163373,15.89,c1(\C=N\NC(COc2ccc(cc2Br)OC)=O)c(Br)cc(c(O)c1Br)Br,0.0
6489,CO-ADD:0243506,15.89,c(OC1)(c(OC)cc2C#N)c(O1)c2OC(C)=O,0.0
6490,CO-ADD:0162268,15.89,C1(c2cccc(I)c2)=N\C(\C(=O)O1)=C/C=C/c3ccco3,0.0
6491,CO-ADD:0243810,15.88,c(c1ccc(OC)cc1)(c(NC(=O)C)no2)c2c3cc(OCO4)c4c(OC)c3OC,0.0
6492,CO-ADD:0162573,15.88,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(c2)cc(cc2C(=O)Nc(cc3)ccc3Oc(ccc(c4C(O)=O)C(O)=O)c4)C(=O)Nc(cc5)ccc5Oc(ccc(c6C(O)=O)C(O)=O)c6,0.0
6493,CO-ADD:0161770,15.88,c1(\C=N\NC(COc(cc2)ccc2I)=O)cc(OC)ccc1OCc3cccc(OC)c3,0.0
6494,CO-ADD:0243776,15.88,c(cc1CN(C(=O)C(O)=C2C(=O)c3cc(OC)c(OC)cc3)C2c4cc(OCO5)c5c(OC)c4)(OC6)c(cc1)O6,0.0
6495,CO-ADD:0243151,15.88,[nH]1c(cccc2)c2c(CCNCC(CC(O3)Cc(cc(c4c5OCO4)OC)c5)=N3)c1C,0.0
6496,CO-ADD:0243640,15.88,c(C)(cc1C)nc2c1c(n(ccc3)c3)c(C(=O)N\N=C\c(cc4OC)c(OC)c5c4OCO5)s2,0.0
6497,CO-ADD:0161203,15.88,N1(c(ccc(c2C(O)=O)O)c2)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
6498,CO-ADD:0243477,15.88,c(C(C(C(=O)OCC)C(=O)OCC)C[N+](=O)[O-])(c1)c(OC)c(OCO2)c2c1OC,0.0
6499,CO-ADD:0162487,15.88,N1(c2ccc(c(Cl)c2)C)C(=O)C(CC3)C(C3(C)C1=O)(C)C,0.0
6500,CO-ADD:0162495,15.88,N1(CNc2ccccc2C)C(=O)\C(\SC1=S)=C\c3cccs3,0.0
6501,CO-ADD:0161225,15.88,N1(c2ccc(cc2)OC(C)=O)C(=O)c(c3C1=O)ccc(C(=O)c(cccc4[N+](=O)[O-])c4)c3,0.0
6502,CO-ADD:0163765,15.88,N(=C(\C1)/CCCCCCCCCC1)/NC(Cc(cc2)ccc2C)=O,0.0
6503,CO-ADD:0163397,15.87,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
6504,CO-ADD:0163978,15.87,C(=O)(N\N=C(/C)\CC(=O)NCc1ccccc1)C(NCCOC)=O,0.0
6505,CO-ADD:0163386,15.87,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cccc4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])c4,0.0
6506,CO-ADD:0163419,15.87,c1(c2ccc(cc2)I)ccc(\C=N\NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O)o1,0.0
6507,CO-ADD:0163721,15.86,C(=O)(Nc(cc1)ccc1I)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O,0.0
6508,CO-ADD:0162637,15.86,C1(C#N)(C#N)C(N)=C(C#N)C(=C2C13c4c(NC3=O)cccc4)CCN(C(C)C)C2,0.0
6509,CO-ADD:0162278,15.86,c1(N(CC2)CCO2)nc(N\N=C/c3ccc(cc3Cl)Cl)nc(Nc4cccc(Br)c4)n1,0.0
6510,CO-ADD:0243501,15.86,c(OC1)(c(OC)cc2Cc(noc3CCl)n3)c(O1)c2OC,0.0
6511,CO-ADD:0243702,15.86,O1CCCC1CN2C(=O)C(O)=C(C2c3cc(OC)c4c(OCO4)c3OC)C(=O)c5cc(OCO6)c6cc5,0.0
6512,CO-ADD:0243936,15.86,CCOc1cc(CCNC(=O)CC(c(c(OC)c(OCO2)c23)cc3OC)C(C(=O)Oc(cccc4)c45)=C5O)ccc1OCC,0.0
6513,CO-ADD:0243710,15.86,n(c1c(c2c3cc(OCO4)c4c(OC)c3OC)SC(N1CC#N)=O)c(c2cn5)n5C(C)C,0.0
6514,CO-ADD:0243814,15.86,c(c1c(OC)c(OCO2)c2c(OC)c1)(c(N)no3)c3c4ccc(OC)cc4,0.0
6515,CO-ADD:0243550,15.86,c(OCO1)(c1c2OC)cc(\C=C(\c(cc(OC)c(OCO3)c34)c4)/C#N)c2,0.0
6516,CO-ADD:0243569,15.86,c(OCO1)(c1c2OC)c(OC)cc2\C=C\[N+](=O)[O-],0.0
6517,CO-ADD:0162827,15.86,c12c(ccc(CNC(CCCCCCCCCCCCCCCCC)=O)c1)OCO2,0.0
6518,CO-ADD:0242993,15.85,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2OC)cc(c23)OCO3,0.0
6519,CO-ADD:0162892,15.85,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2OCC,0.0
6520,CO-ADD:0163438,15.85,c(\C=N\NC(=O)\C(=C/c(cc1)ccc1N(CC)CC)\NC(c2ccccc2)=O)(c(C)c(Br)c(c3C)O)c3O,0.0
6521,CO-ADD:0163950,15.85,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(=O)CN(CC2)CCO2)c1,0.0
6522,CO-ADD:0243346,15.85,c12c(C(CC(=O)N1)c(cc(OC)c(c34)OCO3)c4)snc2c5ccc(cc5)Cl,0.0
6523,CO-ADD:0163467,15.85,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(=O)\C(=C\c(cc2)ccc2N(CC)CC)\NC(c3ccccc3)=O,0.0
6524,CO-ADD:0243736,15.85,c1c(C2C(C(=O)OC)OC3=C2C(=O)OC(C)=C3)c(OC)c4c(OCO4)c1OC,0.0
6525,CO-ADD:0163963,15.85,N1(c2cccc(Cl)c2)C(=O)c(c3C1=O)cc(c4c3)cccc4,0.0
6526,CO-ADD:0243716,15.85,N1(CCCC1)CCN2C(=O)C(O)=C(C2c3cc(OC)c4c(c3OC)OCO4)C(=O)c5ccc(OC)c(OC)c5,0.0
6527,CO-ADD:0162334,15.85,c1(ccc(Br)s1)\C(\C)=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
6528,CO-ADD:0243724,15.85,n(cc1)cn1CCCN(C(=O)C(O)=C2C(=O)c3cc(OC)ccc3)C2c4cc(OCO5)c5c(OC)c4,0.0
6529,CO-ADD:0162687,15.85,C(C1)(C2c3cccs3)=C(OC(N)=C2C#N)\C(\CN1C(C)C)=C\c4cccs4,0.0
6530,CO-ADD:0162306,15.85,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(=O)\C(=C/c(cc3)ccc3N(CC)CC)\NC(=O)c4ccccc4Cl,0.0
6531,CO-ADD:0162900,15.85,C(COc1cccc(Br)c1)(=O)N\N=C\c(ccc(c2OC)OCCCCC)c2,0.0
6532,CO-ADD:0243827,15.85,c(c1OC)(C(C)=NC(C)C2)c2cc3c1OCO3.Cl,0.0
6533,CO-ADD:0161668,15.85,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c2ccc(cc2O)O,0.0
6534,CO-ADD:0243332,15.84,c1(OC)ccc(n(c(c2C3c(cc(OCO4)c45)cc5OC)NC(=O)C3)cn2)cc1,0.0
6535,CO-ADD:0161219,15.84,N1(NC(=O)c2ccc(cc2)C)C(=O)C3C(C4C(C5)C5C3C=C4)C1=O,0.0
6536,CO-ADD:0162094,15.84,C12(CCCCC1)OC(CC2C(CCl)=O)=O,0.0
6537,CO-ADD:0154495,15.84,O=C1OC(C2=CC=CC=C2)=N/C1=CC3=CC(OC(C)=O)=CC=C3,0.0
6538,CO-ADD:0154485,15.84,O=C(N(C)N=O)NC1(CC1C2=CC=CC=C2)C(O)=O,0.0
6539,CO-ADD:0162458,15.84,S(=O)(=O)(c1ccc(cc1)C)N(Cc(cc2)ccc2C(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4C)c5cccc(cccn6)c56,0.0
6540,CO-ADD:0154325,15.84,CC(C=C1)=CC=C1C2C3=C(N=NN=C3Cl)OC4=C2C5=C(C=C4)C=CC=C5,0.0
6541,CO-ADD:0162506,15.84,c1(C(NCCNS(C)(=O)=O)=O)nonc1N,0.0
6542,CO-ADD:0154331,15.84,O=C(O)C(O)=O.CC#CCN(CC1=CC2=CC(OCC3=CC=CC=C3)=CC=C2N1C)C,0.0
6543,CO-ADD:0161372,15.83,c1(C#N)c(SCCC(=O)c2ccc(cc2)F)nc(cc1c3cccs3)c4cccs4,0.0
6544,CO-ADD:0243740,15.83,c1c(C)nc2c(c(N)c(C3=NOC(Cc(c(OC)c4c(OCO4)c5OC)c5)C3)s2)c1C,0.0
6545,CO-ADD:0243498,15.83,C(c(c1N2)cccc1)(c(cc(OCO3)c3c4OC)c4)C(=C2C5)C(O5)=O,0.0
6546,CO-ADD:0161375,15.83,C1(=C(C=C(C)OC1=O)OC(=C2C#N)N)C2c3ccccc3C(F)(F)F,0.0
6547,CO-ADD:0243794,15.83,c(cc1)(OC(=O)C(C(c(c(OC)c2c(OCO2)c3OC)c3)C(C(=O)Nc(cc(OC)c(OC)c4OC)c4)O5)=C56)c6cc1,0.0
6548,CO-ADD:0243206,15.83,c(OC1)(c(OC)cc2\C=C\C(N3CC(C)OC(C)C3)=O)c(O1)c2OC,0.0
6549,CO-ADD:0161233,15.83,C1(C(=O)NC(=N2)c3ccccc3)=C2c4c(cccc4)CC15CCCC5,0.0
6550,CO-ADD:0161737,15.83,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c1,0.0
6551,CO-ADD:0161362,15.83,C(C(OCC)=O)(=C(CSc1nc(C)cc(C)c1C#N)OC(=C2C#N)N)C2c3ccccc3I,0.0
6552,CO-ADD:0161418,15.82,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(c(cc3)ccn3)=O,0.0
6553,CO-ADD:0162962,15.82,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3cccc(O)c3,0.0
6554,CO-ADD:0163323,15.82,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\C=C\c2ccccc2,0.0
6555,CO-ADD:0163727,15.82,C(OCC)(=O)c1ccc(cc1)\N=C/C=C(\O)/C(C)(C)C,0.0
6556,CO-ADD:0163980,15.82,C(=O)(N\N=C(/C)\CC(NCCc1ccccc1)=O)C(NCCOC)=O,0.0
6557,CO-ADD:0163740,15.82,N(=C/c1ccccc1OCCCCCC)/NC(Cc(cc2)ccc2C)=O,0.0
6558,CO-ADD:0163448,15.82,c1(c(OC)cc(c(\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c1)OC)[N+](=O)[O-],0.0
6559,CO-ADD:0163952,15.82,N1(c2ccc(cc2)OCC)C(=O)c(c3C1=O)cc(c4c3)cccc4,0.0
6560,CO-ADD:0154378,15.82,CC(N=C(/N=N/C1=C(C(C2=CC=CC=C2)=C(C(C)=N1)C(OCC)=O)C#N)C(C#N)=C3C4=CC=CC=C4)=C3C(OCC)=O,0.0
6561,CO-ADD:0161958,15.82,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c2ccco2,0.0
6562,CO-ADD:0162014,15.82,n1c2c(oc1c3ccc(cc3)NC(=O)c4ccc(cc4Cl)Cl)ccc(C)c2,0.0
6563,CO-ADD:0243214,15.82,c(C=O)(c1OC)c(CC2CC(c(c3)ccc(OC)c3)=NO2)c(OC)c(OCO4)c14,0.0
6564,CO-ADD:0243366,15.82,c(cccc1)(nc(\C=C\c2c(OC)c(OC3)c(O3)c(OC)c2)c4)c1c4C(=O)O,0.0
6565,CO-ADD:0243142,15.81,N1(CC(CC(O2)Cc(cc(c3c4OC)OCO3)c4Br)=N2)C(=O)c(c5C1=O)cccc5,0.0
6566,CO-ADD:0243067,15.81,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCc(cn(n4)CC)c4C)O3)OC,0.0
6567,CO-ADD:0243140,15.81,c12c(cc(cc1OC)CC(CC(=N3)CCl)O3)OCO2,0.0
6568,CO-ADD:0243670,15.81,C1(SC(C)=NC(N(C2CCCCCC2)NC3=O)=C13)c4cc(OCO5)c5c(c4OC)OC,0.0
6569,CO-ADD:0163328,15.81,n1c(c2ccc(cc2)Cl)csc1Nc(cc3)ccc3OCC.Br,0.0
6570,CO-ADD:0163712,15.81,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O,0.0
6571,CO-ADD:0243804,15.81,c(C)(cc1C)nc2c1c(N3)c(C(=O)NC3c(c(OC)c4OC)cc(OCO5)c45)s2,0.0
6572,CO-ADD:0162393,15.81,C(=O)(Nc(ccc(c1C)C)c1)Nc2c(C)ccc(c2)NC(=O)Nc(ccc(c3C)C)c3,0.0
6573,CO-ADD:0243687,15.81,n(c1c(c2c3cc(OCO4)c4c(OC)c3OC)N(C)C(N1)=O)c(c2c5)n(C(C)C)n5,0.0
6574,CO-ADD:0162401,15.81,N(=C(/C)\c(ccc(c12)OCCO1)c2)/NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O,0.0
6575,CO-ADD:0162378,15.81,c(\C=N\NC(CNC(=O)C(c1ccccc1)c2ccccc2)=O)(cc(I)cc3I)c3O,0.0
6576,CO-ADD:0161852,15.8,c1(cc(ccc1N(C)C)\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)[N+](=O)[O-],0.0
6577,CO-ADD:0161666,15.8,c(C(NCCCCCCC)=O)(c(F)c1F)c(F)c(c1C(NCCCCCCC)=O)F,0.0
6578,CO-ADD:0162838,15.8,C(c1ccccc1)(=O)N\N=C\c2ccccc2OCCCCCCCC,0.0
6579,CO-ADD:0243459,15.8,C1(N2CC(OC)=O)=C(C(CC(=O)N1c3ccc(OC)cc3)c(cc(OCO4)c4c5OC)c5OC)SC2=O,0.0
6580,CO-ADD:0162878,15.8,C(=O)(N\N=C\c1cccc(Cl)c1)C(=O)Nc2ccccc2Cl,0.0
6581,CO-ADD:0161391,15.8,C(=O)(NCC1CCCO1)C(NCCO)=O,0.0
6582,CO-ADD:0243156,15.8,c12c(cc(CC(CC(=N3)CNCC(CC4)CCO4)O3)cc1OC)OCO2.Cl,0.0
6583,CO-ADD:0161399,15.8,S(=O)(=O)(CCC(C)=O)c1ccc(cc1)Oc(cc2)ccc2S(=O)(=O)CCC(C)=O,0.0
6584,CO-ADD:0163020,15.8,c1(\C=N\NC(=O)Cc2cccc(cccc3)c23)cc(C)ccc1O,0.0
6585,CO-ADD:0161368,15.8,c1(C#N)c(c2ccccc2)cc(nc1SCCC(=O)c3ccc(cc3)F)c4ccccc4,0.0
6586,CO-ADD:0161165,15.8,c(\C=N\NC(COc1c(C)cccc1C)=O)(c(cccc2)c2n3C)c3,0.0
6587,CO-ADD:0162456,15.8,c1(O)c(cc(cc1C(C)(C)C)CN(Cc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)\N=C\c3ccccc3O)C(C)(C)C,0.0
6588,CO-ADD:0162512,15.79,N1(C(=O)c2c(cc(cc2)Oc(cccc3[N+](=O)[O-])c3)C1=O)C4=CNC(NC4=O)=O,0.0
6589,CO-ADD:0154435,15.79,O=C(N/N=C/C1=CC=CO1)CC2=CNC3=C2C=CC=C3,0.0
6590,CO-ADD:0154390,15.79,O=C(NNC(CC)CC1=CC=CC=C1)C2=CC3=CC=CC=C3N2,0.0
6591,CO-ADD:0161240,15.79,C1(OC(O2)(C)C)[C@@H]2O[C@H](C3COC(C)(C)O3)C1OC(=O)Nc(cc4)ccc4Cc(cc5)ccc5NC(=O)OC6[C@@H](C7COC(C)(C)O7)O[C@H]8C6OC(O8)(C)C,0.0
6592,CO-ADD:0243133,15.79,N1=C(CN2CCCCC2)CC(Cc(cc3OC)cc(c34)OCO4)O1,0.0
6593,CO-ADD:0162965,15.79,N(/NC(CNc1cccc(cccc2)c12)=O)=C(/C)\c3ccco3,0.0
6594,CO-ADD:0243037,15.79,c12c(cc(cc1OC)\C=N\O)OCO2,0.0
6595,CO-ADD:0243574,15.79,c(c(OC)c1c(OCO1)c2)c2C3C(C(=O)O)C(=O)NC3,0.0
6596,CO-ADD:0162981,15.79,S(=O)(=O)(c1ccc(cc1)C)Oc2ccc(c3c2\C=N\N=C\c4c5c(cccc5)ccc4OS(=O)(=O)c6ccc(cc6)C)cccc3,0.0
6597,CO-ADD:0243885,15.79,c(cc1)(OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)NCc(cc4)ccc4F)=C5O)c5cc1,0.0
6598,CO-ADD:0243594,15.79,c(c(c1c(OC)c2)OCO1)c2C(N)=O,0.0
6599,CO-ADD:0161382,15.78,C(C(OCC)=O)(C(C)N1)=C(C)NC1=O,0.0
6600,CO-ADD:0243318,15.78,c(OC)(c(OC)c1\C=C\C(c(cc2)cc(OC)c2)=O)c(OC3)c(O3)c1,0.0
6601,CO-ADD:0154948,15.78,N#CC1=C(N)OC(NN=C2C)=C2C1C3=CC=C(OCC)C=C3,0.0
6602,CO-ADD:0154780,15.78,O=C(NC1=CC=C(C=C1)C(NCCCCCCCC)=O)C2CC2CCCCCCCC,0.0
6603,CO-ADD:0243470,15.78,c1(c2cc(OC)c(OC)c(OC)c2)oc(c3cc(OCO4)c4c(OC)c3)nn1,0.0
6604,CO-ADD:0243515,15.78,C12=C(C(CC(=O)N1c3ccc(F)cc3)c(cc(OCO4)c4c5OC)c5OC)SC(=O)N2CC(OC)=O,0.0
6605,CO-ADD:0155494,15.78,O=C(N/N=C/C1=CC=C(C=C1)OCC2=CC=CC=C2)C3OC(C=CC=C4)=C4OC3,0.0
6606,CO-ADD:0156087,15.78,[O-][N+](C1=CC(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=CC(C)=C4)=CC=C1)=O,0.0
6607,CO-ADD:0156359,15.78,O=C(/C(C1=C2C(C)=CC(Br)=C1)=N\NC(C3=CC=C(OC)C=C3)=O)N2C,0.0
6608,CO-ADD:0162388,15.78,n1n(CCC(=O)N\N=C(/C)\CCc2ccccc2)c3c(cccc3)n1,0.0
6609,CO-ADD:0162132,15.78,N1(CC(CC1=O)C(=O)N\N=C\c(cc2)ccc2Br)c3ccc(cc3C)C,0.0
6610,CO-ADD:0162852,15.78,C(=O)(NC1CCCCC1)CC(=O)N\N=C\c(ccc(c2OCC)OCCC)c2,0.0
6611,CO-ADD:0162418,15.78,C(=O)(c1ccc(cc1)NC(CCCCC)=O)Nc(cc2)ccc2C(NCCCCCCCCCCC)=O,0.0
6612,CO-ADD:0162874,15.78,C(=O)(N\N=C\c1ccccc1OC)C(=O)Nc2ccc(cc2C)Cl,0.0
6613,CO-ADD:0162359,15.78,C(=O)(c1ccc(cc1)NC(CCCCC)=O)Nc(cc2)ccc2OCC,0.0
6614,CO-ADD:0156497,15.78,O=C(NCCCCCCNC(OC(C=CC=C1)=C1C)=O)OC(C=CC=C2)=C2C,0.0
6615,CO-ADD:0156484,15.78,N#CC1=C(SC2=C1CCCC2)NC(C3=CC=C(C)C(S(N4CCCCC4)(=O)=O)=C3)=O,0.0
6616,CO-ADD:0156364,15.78,N#CC1=C(/N=C/C2=CC=C(C=C2)[N+]([O-])=O)SC3=C1CCC3,0.0
6617,CO-ADD:0156372,15.77,O=C(N/N=C/C1=C(OC)C=CC(Cl)=C1)C2=CC=CN=C2,0.0
6618,CO-ADD:0156345,15.77,O=C(N1C)/C(C2=C1C=CC(C)=C2)=N/NC(C(C=C3)=CC=C3Cl)=O,0.0
6619,CO-ADD:0154839,15.77,O=C1N(NC(C2=CC=C(F)C=C2)=O)C(C)=NC3=C1C=CC=C3,0.0
6620,CO-ADD:0155526,15.77,O=C(COC(C=CC=C1)=C1C)NN=C2CCCCCCCCCCC2,0.0
6621,CO-ADD:0155382,15.77,O=C(NC1=CC=C(OC)C=C1)C(C=C2)=CC=C2NC(C(C=C3)=CC=C3NC(CCCCC)=O)=O,0.0
6622,CO-ADD:0156199,15.77,O=C(C(C=CC=C1)=C1C)NC2=C(C=CC=C2)C(N/N=C/C3=CC(OC)=CC=C3)=O,0.0
6623,CO-ADD:0154774,15.77,[O-][N+](C1=CC=CC(C(NC2=C3C(C(NC(C4=CC([N+]([O-])=O)=CC=C4)=O)=CC=C3)=CC=C2)=O)=C1)=O,0.0
6624,CO-ADD:0156078,15.77,ClC1=C(C=CC(Cl)=C1)C2=NC(C=C3/N=C/C4=C(C=CC=C5)C5=CC=C4O)=C(C=C3)O2,0.0
6625,CO-ADD:0155782,15.77,S=C(NC1CC2=CC=CC=C2O)N(C3=CC=CC=C3)C1=O,0.0
6626,CO-ADD:0155618,15.77,N#CC1=C(NC(COC2=CC=CC=C2Br)=O)SC3=C1CCC3,0.0
6627,CO-ADD:0156259,15.76,[O-][N+](C1=C(O)C(/C=N/C2=CC(Cl)=C(OC)C=C2)=CC([N+]([O-])=O)=C1)=O,0.0
6628,CO-ADD:0156385,15.76,N#CC1(C#N)C(N)=C(C2=CCCC[C@@]2([H])[C@@H]1C3=CC=CC=C3)C#N,0.0
6629,CO-ADD:0156432,15.76,ClC1=CC(Cl)=CC(/C=N/C2=CC(O)=C(C=C2)C3=NC4=CC=CC=C4O3)=C1O,0.0
6630,CO-ADD:0156336,15.76,O=C1/C(C2=CC(C)=CC=C2N1C)=N\NC(C3=CC=C(C)C=C3)=O,0.0
6631,CO-ADD:0243007,15.76,N1(CC(CC(O2)Cc(cc(OC)c(c34)OCO3)c4OC)=N2)C(=O)c5c(cccc5)C1=O,0.0
6632,CO-ADD:0155446,15.76,O=C(COC(C=C1)=CC=C1F)N/N=C/C2=CC(OC)=CC=C2OC,0.0
6633,CO-ADD:0158521,15.76,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C(C)/C2=CC=C3C4=C2C=CC=C4CC3,0.0
6634,CO-ADD:0155530,15.76,ClC1=CC=C(C=C1)/C=N/C2=CC(C(O3)=NC4=C3C=C(C)C(C)=C4)=CC=C2,0.0
6635,CO-ADD:0155481,15.76,S=C(S/1)N(CNC2=CC=C(F)C=C2)C(C1=C\C(C(Cl)=CC=C3)=C3Cl)=O,0.0
6636,CO-ADD:0155505,15.76,[O-][N+](C(C=C1)=CC=C1/C=N/N2C(C3=CC=C(Br)C=C3)=NC4=CC=CC=C4C2=O)=O,0.0
6637,CO-ADD:0154955,15.76,N#CC1(C#N)[C@]2([H])N([C@H](C(C3=CC=CC=C3)=O)[C@H]1C(C=C4)=CC=C4OCC)C5=CC=CC=C5C=C2,0.0
6638,CO-ADD:0156067,15.76,N#CC(C=CC=C1)=C1OCC(N/N=C/C2=CC=CC([N+]([O-])=O)=C2)=O,0.0
6639,CO-ADD:0156091,15.75,[O-][N+](C(C=C1)=CC=C1C(OC/2=O)=NC2=C\C3=CC=C(C(OCC)=C3)OC(C)=O)=O,0.0
6640,CO-ADD:0156499,15.75,O=C(NC1=CC=CC(Cl)=C1)OC(C=CC=C2)=C2C,0.0
6641,CO-ADD:0155627,15.75,[O-][N+](C1=CC(Cl)=C(C=C1)N2CCN(CC2)/C(C3=NON=C3N)=N/O)=O,0.0
6642,CO-ADD:0156312,15.75,O=C(CNC1=CC=C2C=CC=CC2=C1)N/N=C(C)/C3=CC(OC)=C(OC)C=C3,0.0
6643,CO-ADD:0155814,15.75,O=C1C2=C(N=CN1)N([C@H](O[C@@H]3CO)[C@H](O)[C@@H]3O)C(N4CCNCC4)=N2,0.0
6644,CO-ADD:0163159,15.75,c1(c2cc(C)cc(C)c2)nnc(c(cc3)ccc3c4ccccc4)o1,0.0
6645,CO-ADD:0163167,15.75,C(=C\c(ccc1c(ccc(c2[N+](=O)[O-])Cl)c2)o1)(/C3=O)\Sc(c34)cccc4,0.0
6646,CO-ADD:0163880,15.75,C(Oc(cccc1C(=O)Nc(cc2)ccc2OCC)c1)(=S)Nc(cc3)ccc3Br,0.0
6647,CO-ADD:0162639,15.75,c1(OC(N)=C(C2c3cc(Br)ccc3OCC)C#N)c2c(n[nH]1)C,0.0
6648,CO-ADD:0162009,15.75,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(ccc2Sc3cccc(cccn4)c34)o2,0.0
6649,CO-ADD:0136475,15.75,c1c2c(ccc1)n([H])c(N=C(/NC3=O)c4c3cccc4)n2,0.0
6650,CO-ADD:0136443,15.75,o1c(C(=O)NC(=S)Nc(ccc(OCC)c2)c2)ccc1,0.0
6651,CO-ADD:0135633,15.75,O1CC(c(ccc2O)c1c2O)=O,0.0
6652,CO-ADD:0161711,15.75,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
6653,CO-ADD:0135641,15.74,[H]N1C(SC)=NC(C=C1C)=S,0.0
6654,CO-ADD:0229910,15.74,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(cc2)ccc2Br,0.0
6655,CO-ADD:0231271,15.74,S(=O)(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c(cc3)ccc3Br,0.0
6656,CO-ADD:0136050,15.74,C12CC(C(=N/N=C(/C(C3)CC45)C4C35)C1C26)C6,0.0
6657,CO-ADD:0136147,15.74,Clc(ccc(NC(NC(=N)N)=S)c1)c1,0.0
6659,CO-ADD:0227183,15.74,c1(\C=N/NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c(OCC)ccc(cccc4)c14,0.0
6660,CO-ADD:0136406,15.74,n1ccc(C)cc1NC(=O)Nc(ccc(SC)c2)c2,0.0
6661,CO-ADD:0136414,15.74,N1(C(=O)OCc(cccc2)c2)C(CCC1C(O)=O)=O,0.0
6662,CO-ADD:0137035,15.74,o1c([N+](=O)[O-])ccc1C=NN2C(OC(CN(Cc(ccc3)cc3)Cc(cccc4)c4)C2)=O,0.0
6663,CO-ADD:0135579,15.74,c1cnc2c(OCC(=O)N2[H])c1,0.0
6664,CO-ADD:0135915,15.74,N1(Cc2ccc(OC)c(OC)c2)CCOC1=O,0.0
6665,CO-ADD:0136027,15.74,c12c(nc(NC(N)=N)[nH]1)cc([N+](=O)[O-])cc2,0.0
6666,CO-ADD:0135748,15.73,n1c(C(O)=O)ccc(OC)c1C,0.0
6667,CO-ADD:0135868,15.73,n1ccccc1C=Cc(cc([N+](=O)[O-])cc2)c2,0.0
6668,CO-ADD:0135988,15.73,O=C1C([N+](=O)[O-])=C(N(N=C2C)[H])N2C(=O)N1[H],0.0
6669,CO-ADD:0135932,15.73,n1c(c(c(nc1)Sc2ccccc2)ccc3)c3,0.0
6670,CO-ADD:0136326,15.73,O(c(ccc(C(N)=O)c1)c1)c(ccc(C(N)=O)c2)c2,0.0
6671,CO-ADD:0136254,15.73,c1cc(cc(C(NC2CCCCC2)=O)c(O)c3)c3cc1,0.0
6672,CO-ADD:0137132,15.73,C1(O)C(COS(N)(=O)=O)OC(n(cn2)c(ncnc3N)c23)C1O,0.0
6673,CO-ADD:0137156,15.72,O=C1CC2C(CCC(CC(OC(C)=O)CC3)C23C)C(CC(C4C(C)=O)N5CC5)C14C,0.0
6674,CO-ADD:0137141,15.72,Clc(cc(c(c1)OCC(C[As](O)(c(c(OC)ccc2)c2)=O)O)Cl)c1,0.0
6675,CO-ADD:0136488,15.72,C1CCCC2(N=C(S)N(c3ccccc3)N2[H])CC1,0.0
6676,CO-ADD:0136512,15.72,ClC1=C(C)Oc2c(c(C)nn2c3ccccc3)C1=O,0.0
6677,CO-ADD:0136664,15.72,O=C(N(C)c(c1C2=O)nc(Cc(ccc(NC(C)=O)c3)c3)n1[H])N2C,0.0
6678,CO-ADD:0229153,15.72,C(C(OCC)=O)(C1c2ccc(cc2)OCC)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
6679,CO-ADD:0229101,15.72,C(=O)(Nc(cccc1C(=O)N\N=C\c2cccc(I)c2)c1)c3ccccc3F,0.0
6680,CO-ADD:0136592,15.72,c1c2c(sc(n2)SCSc(n3)sc(ccc4)c3c4)ccc1,0.0
6681,CO-ADD:0231304,15.72,c1(c2c(cccc2)ccc1OC(=O)c3ccc(cc3)C)\C=N\c4ccc(cc4C)C,0.0
6682,CO-ADD:0136680,15.72,c1cc(cc(N=Nc2ccc(N(C)C)cc2C)cc3)c3nc1,0.0
6683,CO-ADD:0137039,15.72,c1c(C(C)C)cc(CCC(C(CN)(C)CCC2)C23C)c3c1.c4(C(O)=O)ccccc4,0.0
6684,CO-ADD:0135695,15.72,n1scc(NC(OCC)=O)n1,0.0
6685,CO-ADD:0137016,15.72,c1ccc(C2N(C(=O)C(C#N)=C(Nc3ccccc3Cl)S2)[H])c(O)c1,0.0
6686,CO-ADD:0135916,15.72,c1c(C=C(C(O)=O)/c(cccc2)c2)cccc1,0.0
6687,CO-ADD:0227575,15.71,C(=O)(Oc1ccc(cc1OC)\C=N/NC(COc2cc(C)ccc2C(C)C)=O)c3ccccc3Cl,0.0
6688,CO-ADD:0135999,15.71,n1c(C)nc([nH]cc2)c2c1NCc3ccccc3,0.0
6689,CO-ADD:0136830,15.71,O=S1(C(C(CCC23)C=C2)C3C(C4C1C(C=CC45)CC5)=O)=O,0.0
6690,CO-ADD:0136854,15.71,c1(C)ccc(C(c2n(C)c(C=C(S(C)=O)/SC)cc2)=O)cc1,0.0
6691,CO-ADD:0136958,15.71,C1Cc(cc(C)c([N+](=O)[O-])c2)c2NC1CNC(C)C.CS(O)(=O)=O,0.0
6692,CO-ADD:0136974,15.71,c1cc(NC(Nc(c(C)cc([N+](=O)[O-])c2)c2)=O)cc(c(ccc3)c(n4CC)c3)c14,0.0
6693,CO-ADD:0136791,15.71,c1(O)ccc(C(c2ccc(C(c3ccc(O)cc3)=O)cc2)=O)cc1,0.0
6694,CO-ADD:0227195,15.71,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2c(Br)cc(c(Br)c2)Br)=O)O)c1,0.0
6695,CO-ADD:0135608,15.71,c1c(OC(C)C)ccc(C(O)=O)c1,0.0
6696,CO-ADD:0137097,15.71,S1c(c(cc(SC)c2)C(Cc(ccc3)c1c3)N4CCN(C)CC4)c2.[H]C(/C(O)=O)=C(/C(O)=O)[H],0.0
6697,CO-ADD:0231239,15.71,S(=O)(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccccc2O)c(cccc3[N+](=O)[O-])c3,0.0
6698,CO-ADD:0135585,15.71,n1ccn(CCCC)c1C,0.0
6699,CO-ADD:0136124,15.71,C1CC(=O)N(CC#CCN2CCCC2)C1,0.0
6700,CO-ADD:0136332,15.71,c1c(S(N=S(/C)C)(=O)=O)ccc(NC(C)=O)c1,0.0
6701,CO-ADD:0136093,15.71,n1cccc(NC(=O)c(cc([N+](=O)[O-])cc2)c2)c1,0.0
6702,CO-ADD:0136117,15.71,c1(N=C=S)ccccc1S(N(C)C)(=O)=O,0.0
6703,CO-ADD:0135678,15.71,C1C(O)C(O)C(O)CC1C(OC)=O,0.0
6704,CO-ADD:0135614,15.71,c1ccc(nc1N(C(C)=O)[H])N([H])C(C)=O,0.0
6705,CO-ADD:0231225,15.7,C(=O)(N\N=C(/C)\CC(=O)NCc1ccccc1)C(=O)Nc(cc2)ccc2CC,0.0
6706,CO-ADD:0136972,15.7,O=C1N([H])C(c2cc(OC)c(O)cc2)SC(Nc3cccc(C)c3)=C1C#N,0.0
6707,CO-ADD:0231218,15.7,[N+](=O)([O-])c(cccc1C(=O)Oc(cc2)ccc2\C=N\NC(=O)c3cccc(O)c3)c1,0.0
6708,CO-ADD:0136693,15.7,c1(OC)ccc([N+](=O)[O-])cc1NS(=O)(=O)c(ccc(C)c2)c2,0.0
6709,CO-ADD:0229700,15.7,C(CNc1ccccc1OC)(=O)N\N=C\c2ccccc2O,0.0
6710,CO-ADD:0227421,15.7,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c2cccc(CC=C)c2O,0.0
6711,CO-ADD:0231715,15.7,c1(C(=O)N\N=C\c(cc2)ccc2OCC)nn(c(c3ccccc3)n1)c4ccccc4,0.0
6712,CO-ADD:0227069,15.7,S(=O)(=O)(c1ccc(cc1)C)N(C)CC(=O)N\N=C\c(cc2)ccc2OC,0.0
6713,CO-ADD:0227339,15.7,c1(\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)cc(Br)ccc1O,0.0
6714,CO-ADD:0136869,15.7,c1c(C=C(/C#N)P(OCC)(OCC)=O)ccc([N+](=O)[O-])c1,0.0
6715,CO-ADD:0136917,15.7,O1C(C(C(NC(c2ccccc2)=O)C(OC)O3)=O)C3COC1c4ccccc4,0.0
6716,CO-ADD:0135952,15.7,N1=C(SC)N([H])C(O)=C(CCOCC)C1=O,0.0
6717,CO-ADD:0136602,15.7,O=C1c2c(C(C(=C1NCCc(cccc3)c3)Cl)=O)cccc2,0.0
6718,CO-ADD:0135738,15.7,N12N(CCCC1)C(C(CCO)=C2C)=O,0.0
6719,CO-ADD:0135770,15.69,[H]N1C(CO)=CC(C(CO)=N1)=O,0.0
6720,CO-ADD:0231698,15.69,c1(OCC(=O)N\N=C\c2ccccc2Cl)c(OC)cc(cc1Br)Br,0.0
6721,CO-ADD:0227129,15.69,c1(N\N=C\c(ccc(c2[N+](=O)[O-])Cl)c2)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
6722,CO-ADD:0136741,15.69,Clc(ccc1)c(NC(Nc(ccc(c2)Br)c2)=O)c1,0.0
6723,CO-ADD:0136667,15.69,N1(C(CC(=O)C=Cc(ccc2)cc2)c(cccc3)c3)CCOCC1,0.0
6724,CO-ADD:0135959,15.69,n1c(N)nc(C)c(CCC(OCC2)O2)c1Cl,0.0
6725,CO-ADD:0136809,15.69,O1COc(c1c(O)c(C(N[C@@]([C@H](O)[C@H](O)[C@H]2O)([C@]3([H])[C@H]2O)[H])=O)c34)c4,0.0
6726,CO-ADD:0136170,15.69,N(C(CC1)[C@H]2COC(c3ccccc3)=O)(C)C1C[C@@H]2O,0.0
6727,CO-ADD:0136314,15.69,N1(C(=S)NCC=C)CCN(CC1)c(c(ccc2)Cl)c2,0.0
6728,CO-ADD:0136346,15.69,C1(C(O)=O)(Nc(ccc(S(N)(=O)=O)c2)c2)CCCC1,0.0
6729,CO-ADD:0137254,15.69,C1(C)(C)C=Cc(c(c(C(O)=C(c2ccc(O)cc2)C(=O)O3)c3c4CC=C(/C)C)OC)c4O1,0.0
6730,CO-ADD:0137200,15.69,N1(CC)C[C@](COC)([C@H](O)C[C@@H]2OC)[C@@]3([C@@]24C1[C@H]([C@@H]3OC)[C@](OC(C)=O)([C@]([C@]4(C5)[H])([C@H]([C@]56O)OC(c7ccccc7)=O)[H])[C@@H](O)[C@@H]6OC)[H],0.0
6731,CO-ADD:0227897,15.69,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(C(C)(C)C)s2,0.0
6732,CO-ADD:0137225,15.68,c1(OC)cc(CCN(C[C@H](CC)[C@@]([H])(C[C@@](NC2)(c([nH]c(ccc(O)c3)c34)c4C2)[H])C5)[C@@]56[H])c6cc1OC,0.0
6733,CO-ADD:0227847,15.68,N1(c(cc(cc2C(=O)Nc(cc3)ccc3OC)C(=O)Nc(cc4)ccc4OC)c2)C(=O)c(c5C1=O)cccc5,0.0
6734,CO-ADD:0135612,15.68,n1ccncc1C=C/c(ccc(O)c2)c2,0.0
6735,CO-ADD:0137021,15.68,S1C(N(C)C)=NC(=Nc2cc(Cl)ccc2)S1.Br,0.0
6737,CO-ADD:0135981,15.68,c1(N)c(OC)cc(S(N)(=O)=O)c(OC)c1,0.0
6738,CO-ADD:0229670,15.68,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccc(cc5)Br)C(C)=O,0.0
6739,CO-ADD:0229620,15.68,c(C(=O)c1ccc(cc1)Cl)(c(N)c(c23)ccc(c4ccccc4)n2)s3,0.0
6740,CO-ADD:0227528,15.68,c1(NCC(=O)N\N=C\c2ccccc2)c(Br)cc(cc1Br)Br,0.0
6741,CO-ADD:0227179,15.68,N(=C\c1cc(Cl)ccc1O)/c2cc(ccc2O)Cc(ccc(c3\N=C\c4cc(Cl)ccc4O)O)c3,0.0
6742,CO-ADD:0135989,15.68,N1=CN([H])c(c(C1=O)n2)n(c3ccc(N)c(C)c3)c2,0.0
6743,CO-ADD:0227215,15.68,c(\C=N\NC(COc1cccc(Cl)c1)=O)(cc(I)cc2I)c2O,0.0
6744,CO-ADD:0227530,15.67,c1(NCC(=O)N\N=C/c(cc2)ccc2OC)c(Br)cc(cc1Br)Cl,0.0
6745,CO-ADD:0136208,15.67,O=C(C(C(=O)OC)=CC=C1C(OC)=O)N1[H],0.0
6746,CO-ADD:0137149,15.67,c1cc([N+](=O)[O-])cc(C2=NON(c3ncc(C)cc3)C(C=C4)N2C=C4C)c1,0.0
6747,CO-ADD:0231338,15.67,C(=C\c(ccc(c12)OCO1)c2)(/C3=O)\C(=O)NC(=S)N3,0.0
6748,CO-ADD:0231299,15.67,c1(ccc(cc1Cl)Cl)C(=O)Nc2ccc(cc2Br)Br,0.0
6749,CO-ADD:0227233,15.67,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
6750,CO-ADD:0227915,15.66,[N+](=O)([O-])c(cc(Oc(cccn1)c1)cc2Sc(cc3)ccc3Cl)c2,0.0
6751,CO-ADD:0227279,15.66,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)O)c1,0.0
6752,CO-ADD:0136553,15.66,CC(CC[N+](C)(C)C)=O.[I-],0.0
6753,CO-ADD:0136633,15.66,Clc(nc(c(c1N(C)C)n2)n(C(CCCC3)O3)c2Cl)n1,0.0
6754,CO-ADD:0136373,15.66,FCC(N(O)c(ccc1C=Cc(cccc2)c2)cc1)=O,0.0
6755,CO-ADD:0137248,15.66,N(C(C(NC(c1nc(C(NC2c3nc(C4C(c5nc(C(NC6C(C)O)=O)cs5)(NC(=O)C(C)NC(=O)C(=C)NC(=O)C(=C)NC(=O)C(C(C)C)NC(C(O)c(nc7C(=O)OC2C)c8c(C(O)C)c7)C=C8)CCC(c9nc(C(NC(=C)C(NC(=C)C(N)=O)=O)=O)cs9)=N4)cs3)=O)cs1)C(O)(C)C(O)C)=O)C%10)=C(C(NC6=O)=CC)S%10,0.0
6756,CO-ADD:0135937,15.66,C1C(N(CCCC)C(C)=C1C(=O)OCC)=O,0.0
6757,CO-ADD:0136041,15.66,n1c(c(c(SC(C)C)nc2N)c(C)cc1C)n2,0.0
6758,CO-ADD:0227900,15.66,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(cc3)ccc3C)n2)N4CCCC4.Br,0.0
6759,CO-ADD:0231687,15.66,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3c(OC)cc(cc3Br)Br)=O,0.0
6760,CO-ADD:0229684,15.66,c1(NCC(=O)N\N=C\c(cc2)ccc2N(CC)CC)c(Br)cc(cc1Br)Cl,0.0
6761,CO-ADD:0227833,15.66,C1(NC(=O)CN(c2cc(C)ccc2C)S(c3ccccc3)(=O)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
6762,CO-ADD:0227103,15.66,C(O1)(\C(\C2)=C\c(cc3)ccc3OC)=C(CN2CC)C(C(C#N)=C1N)c4ccc(cc4)OC,0.0
6763,CO-ADD:0163825,15.65,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNC(CNC(c2ccccc2)=O)=O)=O,0.0
6764,CO-ADD:0163841,15.65,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\NC(c3ccccc3)=O)C(=O)Oc(cc4)ccc4\C=N\NC(c5ccccc5)=O,0.0
6765,CO-ADD:0163215,15.65,N(=C(/C)\c1ccc(cc1)F)/NC(CNc(ccc(c23)cccc2)c3)=O,0.0
6766,CO-ADD:0163503,15.65,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\C(\C)=C\c3ccccc3,0.0
6767,CO-ADD:0137219,15.65,[H]C(/C)=C(C(=CC(=C(C1=O)C([C@@H](O)[C@@H]2C)=O)O2)O1)[H],0.0
6768,CO-ADD:0137050,15.65,O=C1c2c(cccc2)c3c(ccc(NC(=O)c4ccccc4c5ccccc5C(O)=O)c3)O1,0.0
6769,CO-ADD:0135602,15.65,O=C1c2c(cccc2)C(c(c13)ncn3[H])=O,0.0
6770,CO-ADD:0227431,15.65,c1(NCC(=O)N\N=C\c(ccc(c2OC)O)c2)c(Br)cc(cc1Br)Br,0.0
6771,CO-ADD:0162015,15.65,N1(c2cccc(c2)C(O)=O)C(=O)C(CC1=O)SC(N\N=C\c(cc3)ccc3Cl)=N,0.0
6772,CO-ADD:0161661,15.65,C(F)(F)(C(F)(F)F)C(F)(F)C(=O)Nc(cc(cc1[N+](=O)[O-])NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1,0.0
6773,CO-ADD:0161723,15.64,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c(cc3)ccc3[N+](=O)[O-])OC,0.0
6774,CO-ADD:0227080,15.64,N1(CC(=O)OCc(oc(n2)c3ccccc3)c2COC(=O)CN4C(=O)CCC4=O)C(=O)CCC1=O,0.0
6775,CO-ADD:0161843,15.64,c(Nc1ccccc1C)(nc(N\N=C\c2ccccc2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
6776,CO-ADD:0163124,15.64,C1(C(OCC)=O)=C(C)NC(=S)NC1c2ccc(cc2)OCC(OC)=O,0.0
6777,CO-ADD:0163805,15.64,[N+](=O)([O-])c1ccccc1\C=N\NC(CSCc(cc2)ccc2[N+](=O)[O-])=O,0.0
6778,CO-ADD:0163874,15.64,C(=O)(Nc(cc1)ccc1Cl)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O,0.0
6779,CO-ADD:0137263,15.64,O([H])C12OC(CC(=C/C(=O)OC)C1OC(=O)C=CC=CCCC)CC(OC(CC(CC(OC3(O[H])CC(CC(=CC(=O)OC)C4)OC4C=CC2(C)C)CC(OC(=O)C)C3(C)C)O[H])=O)C(O[H])C,0.0
6780,CO-ADD:0163830,15.64,C(COc(ccc(c1C)Br)c1)(=O)N\N=C(/C)\CC(NCCc2ccccc2)=O,0.0
6781,CO-ADD:0137246,15.64,O(CCCCCCCCCCCCCCCCCC)CC(O)CO,0.0
6782,CO-ADD:0137216,15.64,C(/C)(C(O)C(O)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)C(C(CCCCC)(O)[H])C(OC1C)=O)=C/C=C/C=C/C=C/C=C/C1O,0.0
6783,CO-ADD:0137259,15.64,c1c(CC[C@](O)([C@](C)([C@]2([H])C(C)(C)C3)CC3)[C@H](C)C(=O)C2)coc1,0.0
6784,CO-ADD:0136622,15.63,Clc(c(N)cc1)c(C(c(ccc2N)c3c2Cl)=O)c1C3=O,0.0
6785,CO-ADD:0136471,15.63,c1(nnc(Cl)c(Sc(c(N)ccc2)c2)c1)Cl,0.0
6786,CO-ADD:0136599,15.63,n1(C)cnc([N+](=O)[O-])c1S(=O)(=O)Oc2c3c(cccc3)ccc2,0.0
6787,CO-ADD:0136776,15.63,O=C(N(C)C(=N/N=C(N(CC(=C)C)C(=O)C1C)/S1)S2)C2,0.0
6788,CO-ADD:0136872,15.63,c1([N+](=O)[O-])ccc(C(c(ccc(N(C)C)c2)c2)c(ccc(N(C)C)c3)c3)cc1,0.0
6789,CO-ADD:0136103,15.63,O=C1NC=CC=C1OC(Nc(cccc2)c2)=O,0.0
6790,CO-ADD:0136199,15.63,c1c2c(cc(N(C(C)=O)[H])c1)nc(cc(N(C(C)=O)[H])c3)c(c3)c2,0.0
6791,CO-ADD:0136239,15.63,N1(C)CCCC(C(Nc(ccc(OCC)c2)c2)=O)C1,0.0
6792,CO-ADD:0136360,15.63,O=C(N(C)c(c1C2=O)nc(NC(C)CC)n1C)N2C,0.0
6793,CO-ADD:0163821,15.63,N(=C\c(cc1)ccc1OC(=O)\C=C\c(cc2)ccc2Br)/c3ccc(cc3C)C,0.0
6794,CO-ADD:0163837,15.62,C(=S)(Oc(cccc1C(=O)Nc2ccccc2)c1)N(CC(C)C)CC(C)C,0.0
6795,CO-ADD:0163137,15.62,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2ccccc2O,0.0
6796,CO-ADD:0163216,15.62,c(ccc(n1)C)(c1)C(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
6797,CO-ADD:0229663,15.62,c1(\C=N\NC(=O)c2ccc(cc2)OCC)cc(Br)ccc1OCC,0.0
6798,CO-ADD:0227843,15.62,c1(cccc(nsn2)c12)S(NCCCc3ccccc3)(=O)=O,0.0
6799,CO-ADD:0227276,15.62,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c(cc3)ccc3[N+](=O)[O-])OC,0.0
6800,CO-ADD:0227294,15.62,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O,0.0
6801,CO-ADD:0229622,15.62,n1c(c2ccccc2)ccc(C#N)c1SCC(=O)c3ccc(cc3)C,0.0
6802,CO-ADD:0227426,15.62,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3OCC,0.0
6803,CO-ADD:0227605,15.61,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C/c(ccc(c4Cl)OC)c4,0.0
6804,CO-ADD:0135823,15.61,O1COC(C(CO)O)C(O)C1C(CO)O,0.0
6805,CO-ADD:0135919,15.61,N1([H])C(C(O)=O)=CC(N=C1SCCCC)=O,0.0
6806,CO-ADD:0136891,15.61,[O-][N+]1=C(c2c(ccc(c2)Cl)N=C(N(C)C(=O)CCC)C1)c(ccc3)cc3,0.0
6807,CO-ADD:0227600,15.61,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C/c2ccc(cc2O)C,0.0
6808,CO-ADD:0136740,15.61,C(/CC(C(C#N)c(cccc1)c1)c(cccc2)c2)(c(cc3)ccc3)=N/O,0.0
6809,CO-ADD:0136169,15.61,O1c(cc(O)c(O)c2)c2C(C)=C3C1=CC(C(O)=C3)=O,0.0
6810,CO-ADD:0161953,15.61,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
6811,CO-ADD:0161879,15.61,c1(\C=N\NC(COc(cc2)ccc2CCCC)=O)c(OCC=C)ccc(cccc3)c13,0.0
6812,CO-ADD:0161911,15.61,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(cccc3)c23)=O)N(CCCC)CC)c1,0.0
6813,CO-ADD:0136413,15.61,Clc(c(n1)Cl)c(c(NC2CCCCC2)n1)Cl,0.0
6814,CO-ADD:0161648,15.61,C(COc(cc1)ccc1F)(=O)N\N=C\c2ccccc2Cl,0.0
6815,CO-ADD:0163408,15.61,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(=O)C(C3)=NNC3(c4ccccc4)c5ccccc5)[N+](=O)[O-],0.0
6816,CO-ADD:0163165,15.61,C(=O)(Oc(cc1)ccc1C=O)c2ccccc2Br,0.0
6817,CO-ADD:0163151,15.61,C(F)(F)(C(F)F)Oc(cc1)ccc1NC(=O)Nc2cccc(cccc3)c23,0.0
6818,CO-ADD:0215763,15.61,C(=O)(OC(C)(C)C)NNC(CNC(OCc1ccccc1)=O)=O,0.0
6819,CO-ADD:0215787,15.61,c1(c(Br)cc(cc1Br)\C=N\c2ccccc2C)OC(c3ccccc3)=O,0.0
6820,CO-ADD:0215724,15.61,c1(C#N)c(C)c(sc1\N=C\c2cc(Br)ccc2O)C,0.0
6821,CO-ADD:0166071,15.61,C(=N\NC(COc(ccc(c1C)C)c1)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
6822,CO-ADD:0166665,15.61,C(C#N)(C1c2ccc(cc2)CC)=C(N)SC(N)=C1C#N,0.0
6823,CO-ADD:0215680,15.6,N1(c2cccc(c2)C#C)C(=O)c(c3C1=O)cc(c4c3c5ccccc5)cccc4,0.0
6824,CO-ADD:0215830,15.6,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1Cl)C(NCCO)=O,0.0
6825,CO-ADD:0215295,15.6,S(c1ccccc1)(=O)(=O)NC(C(C)C)C(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
6826,CO-ADD:0215775,15.6,c1(C(OCC)=O)sc(c(C)c1NC(=O)CN2CCCCC2)C,0.0
6827,CO-ADD:0215100,15.6,C(=C/Nc(cc1)ccc1OC)(/C2=O)\C(=O)NC(=S)N2,0.0
6828,CO-ADD:0215309,15.59,C1(C2c3cccc(OC)c3)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
6829,CO-ADD:0215701,15.59,C(=O)(c1cccc(Cl)c1)Nc(cc2)ccc2C(C)=O,0.0
6830,CO-ADD:0215085,15.59,[N+](=O)([O-])c1cccc(c1)\C(\C)=N\NC(=O)c2ccc(cc2OCc3ccccc3)OCc4ccccc4,0.0
6831,CO-ADD:0215286,15.59,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c(ccc2c3cc(C)c(cc3[N+](=O)[O-])C)o2)[N+](=O)[O-],0.0
6832,CO-ADD:0215726,15.59,c1(C#N)c(C)c(sc1\N=C\c(cc(Br)cc2Br)c2O)C,0.0
6833,CO-ADD:0215350,15.59,C1(C(OCCOC)=O)=C(N)OC(CCCC2=O)=C2C1c3ccccc3[N+](=O)[O-],0.0
6834,CO-ADD:0166666,15.59,C(C#N)(C1c2ccc(cc2)CC)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
6835,CO-ADD:0166619,15.59,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(C)Oc(cc2)ccc2Br,0.0
6836,CO-ADD:0327698,15.59,C(/c(cc(C)cc1)c12)(\C(=S)C(N2C(=O)Cc3cccs3)(C)C)=C(/S4)\SC(=C4C(OC)=O)C(OC)=O,0.0
6837,CO-ADD:0329219,15.59,c1(\C(\CCC2)=N\OCc3ccccc3C#N)c2non1,0.0
6838,CO-ADD:0328220,15.59,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)c(C)cc(NS(=O)(=O)c3ccc(cc3)Cl)c2C,0.0
6839,CO-ADD:0330055,15.58,C(C(O)=O)C(c1ccc(cc1)OC)NC(COc2ccccc2)=O,0.0
6840,CO-ADD:0327326,15.58,N1(c2ccccc2)N=C(C(C(C)C)C1=S)O,0.0
6841,CO-ADD:0329664,15.58,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)(=O)(=O)c(cc3)ccc3C(C)(C)C,0.0
6842,CO-ADD:0332345,15.58,N1(C=C(CCCCN2C)C2=C3)C3NC=C(C(OCC)=O)C1=O.Cl,0.0
6843,CO-ADD:0332249,15.58,N1(c2cccc(cccc3)c23)C(=S)NN=C1c(cccn4)c4,0.0
6844,CO-ADD:0332577,15.58,[N+](=O)([O-])c1ccc(cc1NC(C)C23CC4CC(CC(C4)C2)C3)N(CC5)CCN5C(=O)c6cccs6,0.0
6845,CO-ADD:0331373,15.58,C(=O)(c1cccs1)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
6846,CO-ADD:0330949,15.58,C1(C#N)=C(COC)C=C(N(CC(=O)Nc2ccc(cc2Cl)Cl)C1=O)C,0.0
6847,CO-ADD:0331302,15.58,n12c(CCCCC1)nnc2c3ccc(cc3)NC(=O)c(cc4OC)cc(c4OC)OC,0.0
6848,CO-ADD:0331318,15.57,C1(C(=O)NC(N2c3ccc(cc3)F)=O)=C2NC(=O)C1(NC(C)=O)C(F)(F)F,0.0
6849,CO-ADD:0330830,15.57,c1(c(C)c(Cl)c(nc1Oc(cc2)ccc2F)C)C(=O)Nc3cc(C)ccc3C,0.0
6850,CO-ADD:0332613,15.57,C(C(C1)CC[N+]2(C1)CC)(C2)C(=O)c3cccs3.[Br-],0.0
6851,CO-ADD:0331189,15.57,n1(Cc(ccc(c23)cccc2)c3)c4c(nc1C(C)O)cccc4,0.0
6852,CO-ADD:0330945,15.57,c1(C(=O)Nc(cc2)ccc2[N+](=O)[O-])sc3c(c(C)cc(C)n3)c1N,0.0
6853,CO-ADD:0330889,15.57,c(C(NCCc1ccccc1)=O)(c2N)sc3c2cc(c4n3)CCC4,0.0
6854,CO-ADD:0332442,15.57,[N+](=O)([O-])c(ccc(c1C(=O)c2ccc(cc2)OC)Cl)c1,0.0
6855,CO-ADD:0331978,15.57,C(/C(NCCc1ccccc1OC)=O)(\NC(=O)c2ccc(c(C)c2)C)=C\c3ccco3,0.0
6856,CO-ADD:0332002,15.57,[N+](=O)([O-])c1ccc(cc1)Sc(cc2)ccc2NC(=O)\C(\NC(c3ccccc3)=O)=C/c4ccc(C)o4,0.0
6857,CO-ADD:0332287,15.56,C(C(OC)=O)(=C1C)\C(=C\c2cccs2)\C(N1CCCOC)=O,0.0
6858,CO-ADD:0135142,15.56,O=C1N(CCOC(=O)C)C(C)=Cn(c12)cc([N+](=O)[O-])n2,0.0
6859,CO-ADD:0135134,15.56,O=[N+]([O-])c1nc2n(ccnc2OCCc3ccc(OC(F)(F)F)cc3)c1,0.0
6860,CO-ADD:0332219,15.56,C1(C(=O)OCC(C)C)=C(C)NC(NC1c2cc(Br)ccc2OC)=O,0.0
6861,CO-ADD:0332235,15.56,C1(C(OCCSC)=O)=C(C)NC(NC1c2ccccc2C)=O,0.0
6862,CO-ADD:0332611,15.56,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(OCCSCC)=O,0.0
6863,CO-ADD:0332215,15.56,C1(C(OC)=O)=C(C)NC(NC1c2ccc(c(Br)c2)F)=O,0.0
6864,CO-ADD:0332567,15.56,[N+](=O)([O-])c1ccc(cc1NC(c2ccccc2)c3ccccc3)N(CC4)CCN4Cc5ccccc5,0.0
6865,CO-ADD:0332168,15.56,[N+](=O)([O-])c1ccc(cc1)CC(=O)NC(C)(CC)C#C,0.0
6866,CO-ADD:0331482,15.56,[N+](=O)([O-])c(cc(Oc1ccc(cc1Cl)Cl)c(c23)C=Cc(cccc4)c4O2)c3,0.0
6867,CO-ADD:0331218,15.56,c1(NC(CSc2sc(c3n2)cccc3)=O)c(c4ccccc4)nc(cccc5)n15,0.0
6868,CO-ADD:0331626,15.56,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4c(C)ccc(c4)[N+](=O)[O-],0.0
6869,CO-ADD:0332619,15.56,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cccc4[N+](=O)[O-])c4,0.0
6870,CO-ADD:0332068,15.56,C1(C(NCCc(c2c([nH]3)ccc(C)c2)c3C)=O)=Cc4c(OC1=O)ccc(Br)c4,0.0
6871,CO-ADD:0331068,15.56,n1(Cc2ccccc2C)c3c(nc1COc(cc4)ccc4C)cccc3,0.0
6872,CO-ADD:0331351,15.55,N12c(c(C(C)=CC1(C)C)cc(c3)CC)c3C(=O)C2=O,0.0
6873,CO-ADD:0331408,15.55,S1(=O)(=O)c2c(c3N1CC(=O)Nc4ccc(cc4F)F)c(ccc2)ccc3,0.0
6874,CO-ADD:0331819,15.55,n1(c(C)c(c(C)n1)Br)c2nncn2\N=C\c(cc3)ccc3OC,0.0
6875,CO-ADD:0332164,15.55,[N+](=O)([O-])c1ccccc1OCC(=O)Nc(cc2)ccc2CC#N,0.0
6876,CO-ADD:0332338,15.55,c1(nc(c2ccccc2)cc3C(F)F)n3ncc1C(=O)NCC(CC(CC4C5)CC56)(C6)C4,0.0
6877,CO-ADD:0331966,15.55,n1c2c(CCCCCC2)cc(C#N)c1SCC(=O)N(c3ccccc3)c4ccccc4,0.0
6878,CO-ADD:0330912,15.55,C(O)(C(OC)=O)(c1ccc(c(Br)c1)O)C(F)(F)F,0.0
6879,CO-ADD:0330920,15.55,c(C(=O)Nc(cccc1C(F)(F)F)c1)(sc(c23)nc(c(Cl)c2C)C)c3N,0.0
6880,CO-ADD:0331882,15.55,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3c(C)cc(c(C)c3)OC,0.0
6881,CO-ADD:0332036,15.55,n12c(c(c(c3ccc(cc3)F)c1C(=O)Nc(cc4)ccc4C)CCCC5)n5c(COc6cc(C)ccc6C(C)C)n2,0.0
6882,CO-ADD:0332461,15.54,c1(Nc(cc2)ccc2N)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
6883,CO-ADD:0332362,15.54,N(C(=O)\C(\S1)=C/c2ccccc2OC(C)C)=C1N3CCCCC3,0.0
6884,CO-ADD:0331898,15.54,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3c(C)cc(c(OC)c3)C,0.0
6885,CO-ADD:0332037,15.54,c12c(ccc(C(NCCc(c(ccc(c3)OC(F)(F)F)c3[nH]4)c4C)=O)c1[N+](=O)[O-])C(=O)c(c5C2=O)cccc5,0.0
6886,CO-ADD:0331885,15.54,S(=O)(=O)(c1ccc(c(C)c1)OC)N(CC2)CCN2c3cccc(C)c3C,0.0
6887,CO-ADD:0331756,15.54,C(C(OC)=O)(C1c2ccc(cc2)F)=CN(C=C1C(OC)=O)C3CC3,0.0
6888,CO-ADD:0332117,15.54,C1(C(=O)NCc2ccco2)=Cc(cc(Cl)cc3Cl)c3OC1=O,0.0
6889,CO-ADD:0134099,15.54,O=C(c1[nH]c([N+](=O)[O-])cn1)N(CCO)C,0.0
6890,CO-ADD:0332410,15.54,C1(C(F)(F)F)(C(F)(F)F)N=C(C=CC(=C2)C)N2C(c3ccccc3F)=N1,0.0
6891,CO-ADD:0331788,15.54,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(=O)OCC(C)C,0.0
6892,CO-ADD:0332213,15.54,C1(C(=O)OC(C)C)=C(C)NC(NC1c2ccc(c(Br)c2)F)=O,0.0
6893,CO-ADD:0331821,15.54,c1(nncn1\N=C\c2ccccc2Br)n3c(C)cc(C)n3,0.0
6894,CO-ADD:0332122,15.54,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(cc4)Cl)cc(c(C)c3)C,0.0
6895,CO-ADD:0332454,15.53,c12n(ccc(C)c1)cc(c3ccc(cc3)F)n2.Br,0.0
6896,CO-ADD:0332039,15.53,C1(C(OC)=O)=C(C(c2ccccc2)=O)C(c3ccc(c(OC)c3)OC)Nc4n1nnn4,0.0
6897,CO-ADD:0332256,15.53,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
6898,CO-ADD:0331026,15.53,C1(C(F)(F)F)(NC(c(cc2)ccn2)=O)C(=O)N(C(=O)N1)CCc3ccccc3,0.0
6899,CO-ADD:0330848,15.53,c1(Oc(cccc2NC(=O)c3cccc(C)c3)c2)nc(C)cc(C)c1C#N,0.0
6900,CO-ADD:0329974,15.53,c12n(ncn1N)c(nn2)SCc3ccc(cc3Cl)Cl,0.0
6901,CO-ADD:0329562,15.53,C(=O)(c1cccc(Cl)c1)NC(c2ccc(cc2)OC)CC(OCC)=O,0.0
6902,CO-ADD:0328953,15.53,N(C1c2ccccc2)(C(=O)C(=C1C(=O)c3ccco3)O)c4nnn(C)n4,0.0
6903,CO-ADD:0327124,15.53,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)NC3=C1C(=O)NC(N3CCc(c4c([nH]5)cccc4)c5C)=O,0.0
6904,CO-ADD:0328199,15.53,c1(c(O)c(C)c(c(NC(=O)c(cccc2[N+](=O)[O-])c2)c1)C)S(=O)(=O)c3ccc(cc3)OC,0.0
6905,CO-ADD:0326782,15.53,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)Cl)n1Cc5ccccn5,0.0
6906,CO-ADD:0326590,15.53,N1(c2ccccc2C)C(=O)c3c(N=C1SCC(=O)Nc4ccc(cc4C)C)cccc3,0.0
6907,CO-ADD:0326296,15.53,C(F)(F)(F)c(cc1)ccc1C(NCCc2ccccc2)=O,0.0
6908,CO-ADD:0327420,15.53,C1(CCC(NC1c2ccc(cc2)OCC)=O)[N+](=O)[O-],0.0
6909,CO-ADD:0327484,15.53,c1(N(C)C2=O)c(n(c(SCC(NCCc(ccc(c3OCC)OCC)c3)=O)n1)C)C(N2Cc4ccccc4Cl)=O,0.0
6910,CO-ADD:0331385,15.53,N12C(c3c(cccc3)CC14CCCCC4)=C(C(=O)C2=O)C(OCC)=O,0.0
6911,CO-ADD:0329461,15.53,N1C(=O)\C(\SC1=S)=C\C=C(\CCC2)/N2C,0.0
6912,CO-ADD:0326131,15.53,c1(ccccc1SCc2ccccc2)C(NCCOc(ccc(c3C)C)c3)=O,0.0
6913,CO-ADD:0328139,15.53,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2[N+](=O)[O-])NCc(ccc3C(OCC)=O)o3,0.0
6914,CO-ADD:0326008,15.52,S(=O)(=O)(c(cc1)ccc1C(=O)NC(C2)(C3)CC(CC3C4)CC24)N5CCC(CC5)C,0.0
6915,CO-ADD:0326111,15.52,C1C(O)C(O)COC1Nc2cccc(OCCCCCC)c2,0.0
6916,CO-ADD:0328479,15.52,C(C1CCCC1)(C(OC)=O)C(=O)NCC2CCCO2,0.0
6917,CO-ADD:0329259,15.52,N1(c2ccccc2F)C(=O)\C(\SC1=N)=C\c(cc3OC)cc(c3OCc4ccccc4F)Cl,0.0
6918,CO-ADD:0328312,15.52,C12(OC(C(O)=C1C(=O)c3ccc(cc3)Cl)=O)C(=O)NC(NC2=O)=O,0.0
6919,CO-ADD:0329133,15.52,N#CCc(cc1)ccc1NC(CCc2ccccc2)=O,0.0
6920,CO-ADD:0329787,15.52,c1(cc(OC)c(c2)OC)c2C(CC(=O)N1)c3cccc(F)c3,0.0
6921,CO-ADD:0330075,15.52,C1(OC(C)=O)(C(F)(F)F)Oc2c(NC1=O)cccc2,0.0
6922,CO-ADD:0327437,15.52,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c3ccc(cc3)F,0.0
6923,CO-ADD:0327190,15.52,N1(N)C(C)=Nc(c2C1=O)ccc(c2)c(ccc(c3C4=O)N=C(N4N)C)c3,0.0
6924,CO-ADD:0328482,15.52,n1(CC(=O)N(c2ccc(cc2)OC)C(C)(CC)C(=O)Nc(cc3)ccc3OC)nnnc1N,0.0
6925,CO-ADD:0332341,15.52,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)NCC(C4)(CC(C5)CC6CC45)C6)c1Cl,0.0
6926,CO-ADD:0243849,15.52,C1=C(C)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)Nc(cc4)c(F)cc4F)=C1O,0.0
6927,CO-ADD:0243385,15.51,C12=C(OC(=O)CC1c(cc(OC)c(c34)OCO3)c4OC)c5c(cccc5)OC2=O,0.0
6928,CO-ADD:0330773,15.51,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(c(cccc3)c3n4Cc5ccccc5Cl)c4,0.0
6929,CO-ADD:0243433,15.51,c(OC1)(c(OC)cc2c3nnc(N)s3)c(O1)c2OC,0.0
6930,CO-ADD:0330718,15.51,C12=C(CC(C(C(OC)=O)C1=O)C)Nc(c3NC2c4cc5c(cc4Cl)OCO5)cccc3,0.0
6931,CO-ADD:0331686,15.51,S(=O)(=O)(c1ccc(cc1)F)NC(c(cccc2[N+](=O)[O-])c2)CC(O)=O,0.0
6932,CO-ADD:0331618,15.51,S(=O)(=O)(c1ccc(cc1)OCC)NCC(C2)(CC(CC23)CC4C3)C4,0.0
6933,CO-ADD:0331486,15.51,C1(C(F)(F)F)(NC(C2CCCCC2)=O)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
6934,CO-ADD:0331502,15.51,C1(C(=O)NC(N2c3ccccc3)=O)=C2NC(=O)C1(NC(Cc4ccccc4)=O)C(F)(F)F,0.0
6935,CO-ADD:0331182,15.51,n1(Cc2ccc(cc2Cl)Cl)c3c(nc1C(F)(F)F)cccc3,0.0
6936,CO-ADD:0331214,15.51,n1(nnc(C(OCC)=O)c1CSc(cc2)ccc2C)c3nonc3N,0.0
6937,CO-ADD:0243747,15.51,c(OC)(c(OC)c1OC)c2c(C(=O)CC2c3cc(OC)c4c(OCO4)c3)c1,0.0
6938,CO-ADD:0243153,15.51,COc1cc(cc(c12)OCO2)CC(O3)CC(CNCCc4c5c(ccc(c5)F)[nH]c4)=N3,0.0
6939,CO-ADD:0243917,15.51,C(C)(=C1)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)NCCc(cc4)ccc4O)=C1O,0.0
6940,CO-ADD:0243647,15.51,c(C)(cc1COC)nc2c1c(NC3c(c(OC)c(OCO4)c45)c(CCC)c5OC)c(C(=O)N3)s2,0.0
6941,CO-ADD:0243080,15.51,c(\C=C(\C(=O)N)/C#N)(c1OC)c(CC2CC(C(OCC)=O)=NO2)c(OC)c(OCO3)c13,0.0
6942,CO-ADD:0243386,15.51,C12=C(OC(=O)CC1c(cc(OCO3)c3c4OC)c4OC)c5c(cccc5)NC2=O,0.0
6943,CO-ADD:0243179,15.51,C(C1ON=C(C(=O)N\N=C\c(c2)ccc(F)c2)C1)c(c3OC)cc(OC)c4c3OCO4,0.0
6944,CO-ADD:0243347,15.51,C(/C(=O)c(cc1)c(F)cc1OC)=C\c(c(OC)c2OC)cc(OCO3)c23,0.0
6945,CO-ADD:0243427,15.5,c1(c(ns2)c3cccc(F)c3)c2C(CC(=O)N1)c(cc(OC)c(c45)OCO4)c5OC,0.0
6946,CO-ADD:0243416,15.5,c(OC1)(cc(CCC(=O)O)c2)c(O1)c2OC,0.0
6947,CO-ADD:0243440,15.5,c(c(N)c1)c(OC2)c(O2)c1OC,0.0
6948,CO-ADD:0332535,15.5,c1(cc(C)c(cc1Cl)NC(=S)NC(=O)c2ccccc2Br)[N+](=O)[O-],0.0
6949,CO-ADD:0332033,15.5,C12(OC(C(C(N3c(cc4)c(C)cc4[N+](=O)[O-])=O)C1C3=O)c5ccc(cc5)CC)C(=O)c(c6C2=O)cccc6,0.0
6950,CO-ADD:0332361,15.5,N(C(=O)\C(\S1)=C/c2ccccc2OC(C)C)=C1N(CC3)CCN3c4ccccc4[N+](=O)[O-],0.0
6951,CO-ADD:0331679,15.5,c1(nc(c2cccs2)cc3C(F)(F)F)n3nc(C(=O)NC(C)(CC)C#C)c1Br,0.0
6952,CO-ADD:0331703,15.5,C1(C(F)(F)F)(NC(=O)c2cccc(Cl)c2)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
6953,CO-ADD:0331711,15.5,C1(C(F)(F)F)(C(F)(F)F)N=C(c(cc2)ccn2)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
6954,CO-ADD:0331168,15.5,n1c2c([nH]c1\C=C\c3cccc(Br)c3)cccc2,0.0
6955,CO-ADD:0331751,15.5,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c(ccc(c34)OCO3)c4,0.0
6956,CO-ADD:0331117,15.5,C1(c2ccccc2OC)=N\C(\C(=O)O1)=C\c(cc3)ccc3C(O)=O,0.0
6957,CO-ADD:0331665,15.5,N(NC(c1ccccc1)=O)(C(CC(=O)Nc(cc2)ccc2OCC)C(N3CC)=O)C3=S,0.0
6958,CO-ADD:0331299,15.49,C12=C(CC(CC1=O)c(cc3OC)cc(c3OC)OC)Nc(c4NC2c5cccc(F)c5)cccc4,0.0
6959,CO-ADD:0331315,15.49,C1(C(F)(F)F)(NC(=O)c2ccco2)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
6960,CO-ADD:0332088,15.49,[nH](c(ccc(c1)Br)c1c2CCNC(=O)c3cccs3)c2C,0.0
6961,CO-ADD:0331635,15.49,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5ccc(cc5OC)C,0.0
6962,CO-ADD:0331104,15.49,c1(Cc2ccccc2)nc(c3n1Cc(cc4)ccc4OCCC)cccc3,0.0
6963,CO-ADD:0332534,15.49,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccccc2)N(CC3)CCN3C(=O)c4ccccc4C,0.0
6964,CO-ADD:0331287,15.49,[nH](c(ccc(c1)N\C(\c2ccccc2)=C/C(c3ccccc3)=O)c1c4C)c4C,0.0
6965,CO-ADD:0332138,15.49,n1(n2)c(nc(cc1C(F)(F)F)c3ccccc3)cc2C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
6966,CO-ADD:0330935,15.49,[N+](=O)([O-])c1ccc(cc1)C[N+](C)(C)CCSc2nc(C)cc(COC)c2C#N.[Br-],0.0
6967,CO-ADD:0331071,15.49,n1(Cc2cccc(C)c2)c3c(nc1c4cccs4)cccc3,0.0
6968,CO-ADD:0331543,15.49,C(=O)(c1cccc(Br)c1)NC(c2ccc(OCCC)c(OC)c2)CC(O)=O,0.0
6969,CO-ADD:0331183,15.49,c1(SCCC2CCCCC2)[nH]c(c3n1)cccc3,0.0
6970,CO-ADD:0331231,15.49,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(NCCc2ccccc2)=O)Cl)c1,0.0
6971,CO-ADD:0330835,15.49,c(c(C)nc(c1C(=O)NCc2ccccc2)Cl)(c1C)[N+](=O)[O-],0.0
6972,CO-ADD:0332274,15.49,C(=O)(c1cccc(C)c1)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
6973,CO-ADD:0331544,15.49,N1=C(CSc2nc(C)cc(C)n2)c(c3CC1(C)C)cccc3,0.0
6974,CO-ADD:0331584,15.49,c(nc1c(c2C(F)(F)F)CCc(cccc3)c13)(c4Cl)n2nc4C(=O)N(C)c5ccc(cc5)OC(F)(F)F,0.0
6975,CO-ADD:0331372,15.49,c1(C(=O)NC(c2ccc(cc2)F)CC(O)=O)c(Cl)c3c(cccc3)s1,0.0
6976,CO-ADD:0330972,15.48,c1(c2c(cs1)CCCC2)C(=O)N(CC3)CCO3,0.0
6977,CO-ADD:0331256,15.48,C12(CCOC(C)(C)C1)OC(CC2C(=O)N(CCCC)CCCC)=O,0.0
6978,CO-ADD:0331255,15.48,N1(c2ccc(cc2)F)C(=O)\C(\SC1=N)=C\c(ccc3c4ccc(cc4)OC(F)(F)F)o3,0.0
6979,CO-ADD:0331668,15.48,N(Cc1ccccc1)(C(=O)C(N2NC(=O)c3cccs3)CC(=O)Nc(cc4)ccc4C(OCC)=O)C2=S,0.0
6980,CO-ADD:0331861,15.48,c1(N2CCCCC2)c(cc(c3n1)cccc3)\C=C(\C#N)/C(N)=O,0.0
6981,CO-ADD:0331998,15.48,[N+](=O)([O-])c(ccc(c1C(NCCCc2ccccc2)=O)Cl)c1,0.0
6982,CO-ADD:0331432,15.48,S(=O)(=O)(CC(C12)CC(N1Cc(cccn3)c3)=O)C2,0.0
6983,CO-ADD:0332418,15.48,C1(C(OC)=O)(C(F)(F)F)N=C(c2cccc(F)c2)N(C3=N1)C=CC=C3C,0.0
6984,CO-ADD:0331494,15.48,C1(C(F)(F)F)(NC(C2CCCCC2)=O)C(=O)N(C(=O)N1)c3ccc(cc3)F,0.0
6985,CO-ADD:0331624,15.48,S(=O)(=O)(NCC(C1)(CC(C2)CC3CC12)C3)c4ccc(c(cccc5)c45)Cl,0.0
6986,CO-ADD:0331750,15.48,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
6987,CO-ADD:0332081,15.48,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3c(OCC)ccc(OCC)c3,0.0
6988,CO-ADD:0331346,15.48,c1(SCC(=O)Nc(cccc2C(C)=O)c2)[nH]c(c3n1)ccc(OCC)c3,0.0
6989,CO-ADD:0331466,15.47,n12c(nc(c3ccccc3)cc1c4ccccc4)cc(C(=O)OCC5CCCN6C5CCCC6)n2,0.0
6990,CO-ADD:0330818,15.47,c1(C(=O)Oc2ccccc2)sc3c(c(C)cc(C)n3)c1n4cccc4,0.0
6991,CO-ADD:0330962,15.47,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(cc3)O)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
6992,CO-ADD:0331096,15.47,c1(SCCCOc2ccccc2)[nH]c(c3n1)cccc3,0.0
6993,CO-ADD:0332025,15.47,c1(C(N)=O)nsc(Cl)c1Cl,0.0
6994,CO-ADD:0331681,15.47,c(C(=O)N(C)c1ccc(cc1)OC(F)(F)F)(nn2c3nc(cc2C(F)F)C)n3,0.0
6995,CO-ADD:0331729,15.47,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OC)c4)O,0.0
6996,CO-ADD:0331745,15.46,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cccc4[N+](=O)[O-])c4,0.0
6997,CO-ADD:0332417,15.46,C1(C(F)(F)F)(C(F)(F)F)N=C(C=CC=C2)N2C(c3ccccc3C)=N1,0.0
6998,CO-ADD:0331349,15.46,C1(C2(C)C)=C(C(SS1)=S)c3c(cc(c(C)c3)C)N2C(=O)COc(cc4)ccc4CC,0.0
6999,CO-ADD:0330922,15.46,c(C(=O)Nc(cc1)ccc1C(C)=O)(sc(c23)nc(c(Cl)c2C)C)c3N,0.0
7000,CO-ADD:0332404,15.46,C(C(OC)=O)(NNc1cccc(Cl)c1)(C(F)(F)F)NC(=O)c2ccccc2F,0.0
7001,CO-ADD:0331124,15.46,n1(c(CCC(O)=O)ccc1c2ccc(cc2)OC)c3ccccc3C(F)(F)F,0.0
7002,CO-ADD:0331125,15.46,n1(c(CCC(O)=O)ccc1c2ccc(cc2)OC)c3ccc(c(C)c3)C,0.0
7003,CO-ADD:0331106,15.46,N12[C@@]([H])(CSC1c3ccc(cc3)OC)C(N(c4ccc(cc4)Cl)C2=S)=O,0.0
7004,CO-ADD:0331662,15.46,n1(nnc(C(OCC)=O)c1COc2c(cccc2C=O)OC)c3nonc3N,0.0
7005,CO-ADD:0332008,15.46,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)NCC(C2)(CC(CC23)CC4C3)C4,0.0
7006,CO-ADD:0243863,15.46,C1=C(C)OC(=O)C(C(c(c(OC)c2c3OCO2)cc3OC)CC(=O)Nc(cc4)ccc4OC(F)(F)F)=C1O,0.0
7007,CO-ADD:0332368,15.45,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)N(CC2)CCN2c3ccccn3,0.0
7008,CO-ADD:0331581,15.45,C(C(=O)N(CC1)CCO1)(C2=O)=C(c3c(cccc3)CC45CCCCC4)N5C2=O,0.0
7009,CO-ADD:0226294,15.45,S(=O)(=O)(N(c1cccc(Cl)c1)Cc2ccccc2F)c(ccc3n4c(C)nn3)c4,0.0
7010,CO-ADD:0226322,15.45,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)N(CC4)CCO4,0.0
7011,CO-ADD:0225836,15.45,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)Nc4c(C)cc(cc4C)C)=O,0.0
7012,CO-ADD:0226377,15.45,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(=O)N(CC)c4ccccc4)=O,0.0
7013,CO-ADD:0225233,15.45,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc(cc4)ccc4C)C2=O,0.0
7014,CO-ADD:0225399,15.45,c12n(ccn(c(nn3)CCC(=O)NCc4ccccc4Cl)c13)nc(c5ccc(cc5)F)c2,0.0
7015,CO-ADD:0225439,15.45,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5c(C)cc(cc5C)C)=O,0.0
7016,CO-ADD:0219120,15.45,C(/CC1)(=C/c(cc2)ccc2OC)\C(=O)\C(\C1)=C\c(cc3)ccc3OC,0.0
7017,CO-ADD:0221508,15.45,N1(c2ccccc2)C(=O)c3c(cc(cc3)Oc(cc4)ccc4N)C1=O,0.0
7018,CO-ADD:0221973,15.45,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
7019,CO-ADD:0221526,15.45,[N+](=O)([O-])c1ccc(cc1)COC(=O)c(cc2)ccc2C(=O)OCc(cc3)ccc3[N+](=O)[O-],0.0
7020,CO-ADD:0221478,15.45,c1(NC(c2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
7021,CO-ADD:0219724,15.45,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c(cc2)ccc2OCc3ccccc3Cl)[N+](=O)[O-],0.0
7022,CO-ADD:0221248,15.45,n1(C2)c(C(CN2CC(O)COc3ccccc3C)CCC4)c4c5c1ccc(c5)C6CCCCC6,0.0
7023,CO-ADD:0221573,15.45,C(=C\c1ccccc1)(/C2=O)\C(N(CC3)CCO3)=NN2c(cc4)ccc4[N+](=O)[O-],0.0
7024,CO-ADD:0218999,15.44,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3N=Nc4ccccc4,0.0
7025,CO-ADD:0220733,15.44,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3c(Br)cc(cc3Br)C)=O)o1,0.0
7026,CO-ADD:0220179,15.44,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(ccc(c34)oc(c5cccc(Br)c5)n3)c4)[N+](=O)[O-],0.0
7027,CO-ADD:0222296,15.44,n1c2c(sc1c3ccc(cc3)\N=C\c4c(O)cc(c(Cl)c4C)C)ccc(C)c2,0.0
7028,CO-ADD:0225916,15.44,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc4ccc(c(OC)c4)OC)C2=O,0.0
7029,CO-ADD:0225175,15.44,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)c(cc4)ccc4[N+](=O)[O-],0.0
7030,CO-ADD:0225191,15.44,N1(C(C=CC(C(=O)Nc2cccc(C)c2)=C1)=NN3CC(=O)N4CCc(c5C4)cccc5)C3=O,0.0
7031,CO-ADD:0226351,15.44,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)Nc4c(F)ccc(F)c4,0.0
7032,CO-ADD:0222067,15.44,N1(CC1)C(C(O)=O)CC(=O)c2ccc(c3c2)CCCC3,0.0
7033,CO-ADD:0221581,15.44,N1(OC(N(c2ccc(c(Cl)c2)Cl)C1=O)=O)C3C(C)(C)N(C(=O)N3c4ccc(c(Cl)c4)Cl)C(C)CC,0.0
7034,CO-ADD:0221580,15.44,N(OC(N1c2cccc(cccc3)c23)=O)(C1=O)C4C(C)(C)N(C(=O)N4c5cccc(cccc6)c56)CC(C)C,0.0
7035,CO-ADD:0221276,15.44,C(=N\CC)(/SCC1(C)\C=N\OC(NC)=O)\S1,0.0
7036,CO-ADD:0226316,15.44,N1(C2=O)C(C=C(N=C1Nc(cc3)ccc3F)C)=NN2CC(=O)Nc(ccc(c4F)OC)c4,0.0
7037,CO-ADD:0226324,15.44,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(NCCC)=O,0.0
7038,CO-ADD:0219339,15.44,C(=O)(N\N=C\c(ccc(c1OCC)OCCC)c1)C(=O)Nc(cc2)ccc2OCC,0.0
7039,CO-ADD:0221318,15.43,N12C(C=CC(Cl)=N1)=Nc(c3C2=O)cccc3,0.0
7040,CO-ADD:0220867,15.43,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc(cc2)ccc2C(NCCCCCCCCCCC)=O,0.0
7041,CO-ADD:0220169,15.43,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(ccc(c34)oc(c5cccc(Cl)c5)n3)c4)[N+](=O)[O-],0.0
7042,CO-ADD:0221637,15.43,C(NCCCCCCCCCCNC(=O)Nc1cccc(Cl)c1)(=O)Nc2cccc(Cl)c2,0.0
7043,CO-ADD:0221826,15.43,C(Cc1ccccc1)(NCCSCCCCCCCCCCCCCCCCCC)=O,0.0
7044,CO-ADD:0221611,15.43,C(=O)(N\N=C\c1cc(OC)ccc1OC)c2cccc(Cl)c2,0.0
7045,CO-ADD:0225196,15.43,c12n(C=CN(Cc(cc3)ccc3F)C1=O)c(nn2)SCC(=O)N(C)CCCC,0.0
7046,CO-ADD:0225236,15.43,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)NCc4ccccc4)C2=O,0.0
7047,CO-ADD:0221625,15.43,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C(/C)\c3ccc(cc3)Br,0.0
7048,CO-ADD:0221740,15.43,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
7049,CO-ADD:0221903,15.43,[N+](=O)([O-])c1c(Cl)ccc(c1)NC(=O)c(cc2)ccc2C(=O)Nc(ccc(c3[N+](=O)[O-])Cl)c3,0.0
7050,CO-ADD:0220274,15.43,n1c2c(oc1c3ccccc3)ccc(c2)\N=C\c4cc(C)cc(I)c4O,0.0
7051,CO-ADD:0219031,15.43,N(\C(=C\c1ccc(cc1C)C)\C(O2)=O)=C2c3ccccc3,0.0
7052,CO-ADD:0219033,15.43,c1(OC(N)=C(C2c3c(C)c(C)cc(C)c3C)C#N)c2c([nH]n1)C,0.0
7053,CO-ADD:0221350,15.43,N1(C=CS2)C2=NC(C)=CC1=O,0.0
7054,CO-ADD:0221465,15.43,c1(cc(Br)ccc1O)C(=O)N\N=C\c2cc(Br)ccc2OC,0.0
7055,CO-ADD:0226245,15.42,S(=O)(=O)(Nc(ccc(c12)OCCO1)c2)c(ccc(n3c4)nn4)c3,0.0
7056,CO-ADD:0226319,15.42,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)N(C)c4cccc(C)c4,0.0
7057,CO-ADD:0221537,15.42,S(=O)(=O)(c1ccc(cc1)N\C=C(/C(C)=NN2c3ccc(cc3)Cl)\C2=O)N4CCCCC4,0.0
7058,CO-ADD:0219590,15.42,C(=O)(N\N=C\c(cc1)ccc1OC)C(=O)Nc2ccc(cc2C)Cl,0.0
7059,CO-ADD:0221586,15.42,N1(OC(N(c2cccc(Cl)c2)C1=O)=O)C3C(C)(C)SC(=S)N3CCCC,0.0
7060,CO-ADD:0221303,15.42,C(COc1ccc(cc1Br)C)(=O)N\N=C(/C)\CC(=O)NCc2ccco2,0.0
7061,CO-ADD:0221298,15.42,c1(C(N)=O)cc(sc1SCC)CC,0.0
7062,CO-ADD:0221354,15.42,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Oc3ccc(cc3n4nc5c(cccc5)n4)C,0.0
7063,CO-ADD:0219406,15.41,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(=O)NC2CCCC2,0.0
7064,CO-ADD:0219145,15.41,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc(cc3)ccc3OCCCCCCCC)Nc(cc4)ccc4OCCCCCCCC,0.0
7065,CO-ADD:0225843,15.41,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)Nc(ccc(c4Cl)F)c4)=O,0.0
7066,CO-ADD:0226275,15.41,S(=O)(=O)(N(Cc(ccc(c1F)OC)c1)c2ccc(cc2)F)c(ccc3n4c(C)nn3)c4,0.0
7067,CO-ADD:0226283,15.41,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(c(F)c2)F)c(ccc(n3c4)nn4)c3,0.0
7068,CO-ADD:0226331,15.41,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(=O)NCc4ccco4,0.0
7069,CO-ADD:0225870,15.41,C1(=N2)N(C=CN=C1SCc3ccccc3)C(N2CC(=O)Nc4cccc(C)c4C)=O,0.0
7070,CO-ADD:0225894,15.41,N12C(C=CC(c3ccc(cc3)C)=N1)=NN(CC(=O)Nc4ccc(cc4F)Br)C2=O,0.0
7071,CO-ADD:0226382,15.41,N1(C(C)=CC(=N2)Nc(cc3)ccc3F)C2=NN(CCc4ccccc4)C1=O,0.0
7072,CO-ADD:0225391,15.41,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)NCc5ccccc5,0.0
7073,CO-ADD:0237234,15.41,CCc1ccc(cc1)S(=O)(=O)Nc2cc(CN3CCN(CCC(C)C)CC3)ccc2C,0.0
7074,CO-ADD:0237400,15.41,CC(C)(CN)c1nc(c2ccc(Cl)c(O)c2)c([nH]1)c3ccnc(N)n3.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
7075,CO-ADD:0237431,15.4,CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,0.0
7076,CO-ADD:0237037,15.4,C(Nc1nn2c(cnc2s1)c3cccs3)C4CCOCC4,0.0
7077,CO-ADD:0237039,15.4,CC(C)(C)OC(=O)N1CCN(CC1)c2nccc(n2)c3ccc(s3)c4ccc(Cl)cc4,0.0
7078,CO-ADD:0237377,15.4,CCS(=O)(=O)N(Cc1occc1)Cc2cc3ccc(C)cc3nc2O,0.0
7079,CO-ADD:0237382,15.4,Nc1ncnc2n(CC3CCNCC3)nc(-c3cnc4ccccc4c3)c12,0.0
7080,CO-ADD:0237055,15.4,FC(F)(F)c1cccc(c1)C(=O)Nc2oc(nn2)c3ccc(Cl)cc3,0.0
7081,CO-ADD:0237304,15.4,COc1ccc(cc1c2cn(nn2)c3ccc(cc3)C(=N)N)C(=N)N.Cl.Cl,0.0
7082,CO-ADD:0237143,15.4,COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c2cnn(n2)c3ccccc3,0.0
7083,CO-ADD:0237144,15.4,COc1ccccc1CNC(=O)c2cc(nc3c2cnn3C(C)C)C4CC4,0.0
7084,CO-ADD:0237243,15.4,COc1ccc(Oc2ccc(cc2)[C@@H](C)N(C)c3ncc4c(N)nc(N)nc4n3)cc1,0.0
7085,CO-ADD:0237165,15.4,Cc1ccc2cc(C3NC(=O)c4ccccc4N3)c(Cl)nc2c1,0.0
7086,CO-ADD:0234853,15.4,C(=C\c(cc1)ccc1F)/C(=O)c2ccc(cc2)\N=C\c(cc3)ccc3Br,0.0
7087,CO-ADD:0236769,15.4,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(ccc(c2C)C)c2)c3c(OC)ccc(OC)c3,0.0
7088,CO-ADD:0231382,15.4,c1(N2CCCC2)nc(N\N=C/c3cc(OCO4)c4cc3[N+](=O)[O-])nc(Nc5ccccc5)n1,0.0
7089,CO-ADD:0233105,15.4,C(CCCC(C(OCC)=O)(C(OCC)=O)OC(c1ccccc1)=O)(C(OCC)=O)(C(OCC)=O)OC(c2ccccc2)=O,0.0
7090,CO-ADD:0233081,15.39,C1(C2=O)C(NN=C1C(OCC)=O)C(N2c3ccc(cc3)Br)=O,0.0
7091,CO-ADD:0234843,15.39,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccccc2C#N)=O)c3ccccc3Br,0.0
7092,CO-ADD:0237335,15.39,COc1cc(ccc1n2cc(nn2)c3cccc(c3)C4=NCCN4)C5=NCCN5.C(=O)[O-].C(=O)[O-],0.0
7093,CO-ADD:0237266,15.39,CN1CCC(CC1)c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1,0.0
7094,CO-ADD:0237429,15.39,Cc1ccc2nc(C)c(c3ccn(Cc4ccccc4)n3)n2c1,0.0
7095,CO-ADD:0229122,15.39,C(=O)(N\N=C\c(cc1)ccc1C#N)c2ccc(cc2)OCCCCCCCCCC,0.0
7096,CO-ADD:0231456,15.39,N(/c(cc1)ccc1c2ccc(cc2)\N=C\c(ccc(c3Cl)Cl)c3)=C\c(ccc(c4Cl)Cl)c4,0.0
7097,CO-ADD:0237426,15.39,CO[C@@H]1CN(C[C@H]1O)c2ccc(C#CC3(O)CN4CCC3CC4)c(Cc5ccccc5)n2,0.0
7098,CO-ADD:0233098,15.39,C(C(CCC)=O)(=CN(Cc1ccccc1)C=C2C(CCC)=O)C2c(cccc3[N+](=O)[O-])c3,0.0
7099,CO-ADD:0233082,15.39,N1C(c(ccc(c23)OCO2)c3)Oc(c4C1=O)cccc4,0.0
7100,CO-ADD:0232888,15.38,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc(cc2)ccc2C)c3ccc(cc3Cl)Cl,0.0
7101,CO-ADD:0232858,15.38,c12c(ccc(OC)c1OC)C(OC2=O)OC(C)=O,0.0
7102,CO-ADD:0230912,15.38,c1(ccccc1NC(=O)c2ccco2)C(OC)=O,0.0
7103,CO-ADD:0233083,15.38,c1(C(OC)=O)c(c(cc2)ccc2[N+](=O)[O-])c([nH]c1C)C,0.0
7104,CO-ADD:0230900,15.38,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCN(C)C.Cl,0.0
7105,CO-ADD:0231464,15.38,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(=O)c(ccc(c34)OCCO3)c4,0.0
7106,CO-ADD:0234517,15.38,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(ccc2c(ccc(c3Cl)Cl)c3)o2)[N+](=O)[O-])[N+](=O)[O-],0.0
7107,CO-ADD:0234282,15.38,c1(c(O)c(\C=N\c(cc2)ccc2NC(C)=O)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
7108,CO-ADD:0232830,15.38,C1(c2ccc(cc2)OC(=O)c(cc3)ccc3C(=O)Oc(cc4)ccc4C5=Nc(c6C(=O)O5)cccc6)=Nc(c7C(=O)O1)cccc7,0.0
7109,CO-ADD:0232960,15.38,S1(=O)(=O)c(cccc2)c2C(Nc3c(OC)ccc(OC)c3)=N1,0.0
7110,CO-ADD:0231405,15.38,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4cc(I)ccc4O,0.0
7111,CO-ADD:0230913,15.38,c(C(OCC)=O)(sc(n1)N)c1C,0.0
7112,CO-ADD:0231496,15.37,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c34)OCO3)c4)c5ccc(cc5Cl)F,0.0
7113,CO-ADD:0231114,15.37,C(=O)(Nc(cc1)ccc1C(C)C)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
7114,CO-ADD:0227929,15.37,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c(cc(OCO4)c4c5)c5Br,0.0
7115,CO-ADD:0236709,15.37,c1(C#N)c2c(sc1\N=C\c3c(O)ccc(cccc4)c34)CCCC2,0.0
7116,CO-ADD:0229930,15.37,c1(ccc(cc1Cl)Cl)\C=N/c(cc2)ccc2c3ccc(cc3)\N=C/c4ccc(cc4Cl)Cl,0.0
7117,CO-ADD:0236742,15.37,C(C#N)([C@@H](c1cccs1)[C@@H](S2)C(=O)c3ccc(cc3)Br)=C2N,0.0
7118,CO-ADD:0236213,15.37,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)OC(C)=C2C(OCC=C)=O,0.0
7119,CO-ADD:0227762,15.37,C(=N\NC(COc1c(OC)cc(cc1Br)Br)=O)(/c2c(N3C)cccc2)\C3=O,0.0
7120,CO-ADD:0233016,15.37,C(F)(C(F)(F)F)(C(=O)N(CC1)CCN1c2ccc(cc2)F)OC(F)(F)C(F)(F)C(F)(F)F,0.0
7121,CO-ADD:0236249,15.37,C1(C#N)(C#N)[C@H](c2ccccc2F)[C@H](N3[C@]1([H])C=Cc(c34)cc(cc4)F)C(c5ccccc5)=O,0.0
7122,CO-ADD:0232968,15.37,N1(C(c2ccc(cc2)F)CC(c(cccc3[N+](=O)[O-])c3)=N1)c4scc(c5ccc(cc5)Cl)n4.Br,0.0
7123,CO-ADD:0231763,15.37,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Cl)cc3Cl)c3O)c4cccc(Cl)c4Cl,0.0
7124,CO-ADD:0231384,15.36,c1(N2CCCC2)nc(N\N=C/c(cc3OC)cc(c3O)Br)nc(Nc4ccccc4)n1,0.0
7125,CO-ADD:0227935,15.36,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c(cc(Cl)cc4Br)c4O,0.0
7126,CO-ADD:0234578,15.36,c1(c(Br)cc(cc1\C=N\NC(COc2c(C)cccc2C)=O)Br)OC(=O)c3cccc(C)c3,0.0
7127,CO-ADD:0233641,15.36,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c(cc(Br)cc5Cl)c5O,0.0
7128,CO-ADD:0234181,15.36,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3Br)c4cc(Cl)ccc4Cl,0.0
7129,CO-ADD:0234213,15.36,n1c2c(oc1c3cccc(c3)\N=C\c(cc(Br)cc4[N+](=O)[O-])c4O)cccc2C,0.0
7130,CO-ADD:0231709,15.36,n1c2c(sc1c3ccc(cc3)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])Br)ccc(C)c2,0.0
7131,CO-ADD:0236179,15.36,S(=O)(=O)(Nc(c1)cc2c(cccc2)n1)C3=C(C)NC(NC3=O)=O,0.0
7132,CO-ADD:0236149,15.36,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
7133,CO-ADD:0230949,15.36,N(c1ccc(cn1)Br)(C2c3ccccc3)C(=O)C(=C2C(=O)c4ccc(cc4)Cl)O,0.0
7134,CO-ADD:0237096,15.36,Cc1ccc2oc(nc2c1)c3cc(NC(=O)Cc4ccccc4)ccc3Cl,0.0
7135,CO-ADD:0229149,15.36,C(=O)(N\N=C\c1ccccc1)c2ccc(cc2)OCCCCCCCCC,0.0
7136,CO-ADD:0236727,15.36,c1(nnc2\N=C\c3cccs3)n2ncn1\N=C\c4cccs4,0.0
7137,CO-ADD:0227065,15.36,[N+](=O)([O-])c1ccc(c(c1)\N=C\c(cccc2[N+](=O)[O-])c2)C,0.0
7138,CO-ADD:0233655,15.35,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(COc3c(C)cccc3C)=O)o2,0.0
7139,CO-ADD:0231488,15.35,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccc(cc2Cl)Cl)=O)c3cccc(Br)c3,0.0
7140,CO-ADD:0236617,15.35,C1(C#N)(C#N)[C@H](c2c(cccc2Cl)F)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5ccc(cc5)F,0.0
7141,CO-ADD:0231089,15.35,C(CCC(=O)N\N=C\c1cccc(Cl)c1)(=O)Nc2cccc(Br)c2,0.0
7142,CO-ADD:0234540,15.35,C(=O)(NCc1ccco1)N2CCCCC2,0.0
7143,CO-ADD:0234177,15.35,c1(oc(c2n1)ccc(c2)\N=C\c(cccc3[N+](=O)[O-])c3)c4cc(Cl)ccc4Cl,0.0
7144,CO-ADD:0234164,15.35,c1(oc(c2n1)ccc(c2)\N=C\c3c4c(cccc4)cc(cccc5)c35)c6cc(Cl)ccc6Cl,0.0
7145,CO-ADD:0232844,15.34,C1(N2CCCCC2)=CC(OC13CCCCC3)=O,0.0
7146,CO-ADD:0236544,15.34,C1(C#N)(C#N)[C@]([H])(c2c(cccc2)C=C3)N3[C@@H](C(=O)c4cccs4)[C@@H]1c5cccs5,0.0
7147,CO-ADD:0231527,15.34,N(\C(=C/c(cc1)ccc1I)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
7148,CO-ADD:0236412,15.34,N1(c2cccc(c2)C(O)=O)C(=O)c(c3C1=O)cc(c(Cl)c3)Cl,0.0
7149,CO-ADD:0234536,15.34,c1(n(CCO)cnc1c2ccc(cc2)OCCC)[N+](=O)[O-],0.0
7150,CO-ADD:0236351,15.34,N1(c2ccccc2)C(=O)\C(\SC1=S)=C\c(ccc3c4ccccc4Cl)o3,0.0
7151,CO-ADD:0229749,15.34,N1(c2cccc(O)c2)C(=O)c(c3C1=O)ccc(C(=O)c(cc4)ccc4[N+](=O)[O-])c3,0.0
7152,CO-ADD:0231145,15.34,C(=O)(C(N)=O)Nc1ccccc1C,0.0
7153,CO-ADD:0233355,15.34,c1(Sc(cc(cc2[N+](=O)[O-])NC(=O)C(=O)Nc(cc(cc3[N+](=O)[O-])Sc4sc(c5n4)cccc5)c3)c2)sc(c6n1)cccc6,0.0
7154,CO-ADD:0231522,15.34,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(cc2)ccc2C)=O)c3ccccc3Br,0.0
7155,CO-ADD:0231468,15.34,c1(Cl)c(Cl)ccc(c1)\N=C\c(ccc(c2Cl)Cl)c2,0.0
7156,CO-ADD:0230907,15.34,C1([N+](=O)[O-])=C(\C=C\c(cc2)ccc2\C=N\c(cc3)ccc3OC)NC(N=C1O)=O,0.0
7157,CO-ADD:0236696,15.34,S(=O)(=O)(c1ccc(cc1)NC(Cc2ccccc2)=O)Nc3nnc(CC)s3,0.0
7158,CO-ADD:0236673,15.34,c1(c(SC)nsc1SC)NC(=O)N(CC2)CCO2,0.0
7159,CO-ADD:0231401,15.33,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4cc(C)ccc4O,0.0
7160,CO-ADD:0231161,15.33,C(=O)(c1cccc(Br)c1)Nc2ccc(cc2F)F,0.0
7161,CO-ADD:0236232,15.33,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCc3ccccc3Cl)c4ccccc4,0.0
7162,CO-ADD:0232964,15.33,S1(=O)(=O)c(cccc2)c2C(N(CCOc3ccccc3)CCOc4ccccc4)=N1,0.0
7163,CO-ADD:0234734,15.33,n1c2c(oc1c3cccc(c3)\N=C\c(cc(Br)cc4Cl)c4O)ccc(C)c2,0.0
7164,CO-ADD:0231529,15.33,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)ccc3C)=O,0.0
7165,CO-ADD:0233281,15.33,c1(c(cccc1[N+](=O)[O-])C(O)=O)C(=O)Nc2ccc(cc2[N+](=O)[O-])C,0.0
7166,CO-ADD:0234548,15.33,[N+](=O)([O-])c1ccccc1OCc(cc(C)cc2COc3ccccc3[N+](=O)[O-])c2OC,0.0
7167,CO-ADD:0236781,15.33,S(=O)(=O)(c1ccc(cc1C)Br)Oc2cccc(cccn3)c23,0.0
7168,CO-ADD:0231544,15.33,C1(COc(c2O1)cccc2)C(=O)N\N=C\c3cc(Br)cc(Br)c3OC(=O)c4cccc(F)c4,0.0
7169,CO-ADD:0234789,15.33,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc4cccc(cccc5)c45)n2,0.0
7170,CO-ADD:0231516,15.33,N(\C(=C\c(cc1)ccc1Cl)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
7171,CO-ADD:0227698,15.33,C1(c2ccc(cc2)\N=C\c(cc3)ccc3OCc4ccccc4)=Cc5c(OC1=O)cccc5,0.0
7172,CO-ADD:0236692,15.33,S(N)(=O)(=O)c1ccc(cc1)NC(CSc2[nH]c(c3n2)cccc3)=O,0.0
7173,CO-ADD:0236271,15.33,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)CC)SC(=NN2c6cccc(Cl)c6)C(OCC)=O,0.0
7174,CO-ADD:0227523,15.33,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(cc(Cl)cc4Br)c4O,0.0
7175,CO-ADD:0236280,15.33,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
7176,CO-ADD:0233411,15.32,c(cc(Br)cc1Cl)(\C=N\c2ccc(cc2O)C)c1O,0.0
7177,CO-ADD:0234205,15.32,c1(oc(c2n1)ccc(c2)\N=C\c3ccccc3[N+](=O)[O-])c4cc(Cl)ccc4Cl,0.0
7178,CO-ADD:0233581,15.32,n1c2c(oc1c3ccc(cc3)\N=C\c(ccc(c4Cl)Cl)c4)cccc2C,0.0
7179,CO-ADD:0227783,15.32,C1(Nc(c(Nc(ccc(c2Cl)Cl)c2)nc(c34)non3)n4)=C(C)N(N(c5ccccc5)C1=O)C,0.0
7180,CO-ADD:0231012,15.32,C(=O)(C\C(\C)=N\NC(COc1ccccc1C)=O)Nc2c(Cl)ccc(Cl)c2,0.0
7181,CO-ADD:0236240,15.32,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC(=O)c(cc3)ccc3c4ccccc4)c5ccccc5,0.0
7182,CO-ADD:0230978,15.32,c1(NC(CSc2nc(C)cc(C)n2)=O)sc3c(ccc(OC)c3)n1,0.0
7183,CO-ADD:0231014,15.32,S(c1ccccc1)(=O)(=O)N(c2ccc(c(C)c2)C)CC(=O)Nc3cccc(Cl)c3C,0.0
7184,CO-ADD:0231009,15.32,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NC(C)C(=O)N\N=C\c2cc(OC)ccc2OC,0.0
7185,CO-ADD:0236650,15.32,n1c(c(cc2)ccn2)ccc(C#N)c1SCC(=O)NC3CC3,0.0
7186,CO-ADD:0236804,15.31,c12c(cccc1\N=C\c3cccc(OC)c3O)C(=O)NNC2=O,0.0
7187,CO-ADD:0236787,15.31,S(=O)(=O)(c1ccc(cc1)C)N2CCSC2c(ccc(c3[N+](=O)[O-])OC)c3,0.0
7188,CO-ADD:0236782,15.31,C1(NC(=O)c(cccc2[N+](=O)[O-])c2C)=C(C)N(N(c3ccccc3)C1=O)C,0.0
7189,CO-ADD:0233225,15.31,N1(c2ccc(cc2)Cl)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
7190,CO-ADD:0233423,15.31,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(cc3OC)cc(c3OC)OC,0.0
7191,CO-ADD:0231780,15.31,c1(oc(c2n1)ccc(c2)\N=C\c3cc(Br)ccc3O)c4cccc(Cl)c4Cl,0.0
7192,CO-ADD:0234938,15.31,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)N\N=C\c(ccc4c5ccc(cc5Cl)[N+](=O)[O-])o4,0.0
7193,CO-ADD:0236190,15.31,c1(SCc(c(C)c2C)c(C)c(c2CSc3[nH]c(c4n3)cccc4)C)[nH]c(c5n1)cccc5,0.0
7194,CO-ADD:0236670,15.3,c([N+](=O)[O-])(n1)ncn1[C@@H]2[C@@H](c3ccccc3)CC(=CC2=O)c4ccccc4,0.0
7195,CO-ADD:0234566,15.3,S(N)(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)\C=C\c(cc2)ccc2OC,0.0
7196,CO-ADD:0236856,15.3,N1C(=O)\C(\NC1=S)=C/c(ccc(c2OC)OCc3ccc(cc3Cl)Cl)c2,0.0
7197,CO-ADD:0233414,15.3,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Br)cc4Cl)c4O)cc(C)c(C)c2,0.0
7198,CO-ADD:0229574,15.3,c1(c(C)c(s2)C)c2ncnc1Nc3c(Cl)ccc(Cl)c3,0.0
7199,CO-ADD:0231480,15.3,n1c2c(oc1c3ccc(cc3)OC)ccc(c2)\N=C\c(ccc(c4Cl)Cl)c4,0.0
7200,CO-ADD:0233215,15.3,n1c(N2CCCC2)c3c(nc1c4ccccc4O)cccc3,0.0
7201,CO-ADD:0229214,15.3,c1(C#N)c2c(sc1\N=C\c(c(Cl)ccc3[N+](=O)[O-])c3)CCCC2,0.0
7202,CO-ADD:0231540,15.3,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2ccc(cc2Br)Cl)=O)c3ccccc3I,0.0
7203,CO-ADD:0236478,15.3,n(c1C)(nnc1C(=O)N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-])c3nonc3N,0.0
7204,CO-ADD:0233293,15.3,C(=O)(c1c(cccc1F)F)N(C(C)C(OC)=O)c2c(C)cccc2C,0.0
7205,CO-ADD:0234613,15.3,c1(c2ccc(cc2)I)ccc(\C=N\NC(=O)Cc3cccc(cccc4)c34)o1,0.0
7206,CO-ADD:0233383,15.3,N1(CNc2cccc(C)c2)C(=O)c3c(cccc3)C1=O,0.0
7207,CO-ADD:0237031,15.29,O[C@H]1[C@@H](O)[C@H](N2C=CC(N)=NC2=O)O[C@@H]1CN3C=C(CCNC([C@@H](O)C(C)(C)CO)=O)N=N3,0.0
7208,CO-ADD:0231420,15.29,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
7209,CO-ADD:0231184,15.29,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1OC)C(=O)Nc(cc2)ccc2CC,0.0
7210,CO-ADD:0233022,15.29,c1(N(CC)CC)nc(N\N=C/c(cc2)ccc2[N+](=O)[O-])nc(Nc(ccc(c3Cl)C)c3)n1,0.0
7211,CO-ADD:0236809,15.29,N(=C/c1cccc(Cl)c1)/c2cccc3c2cccc3\N=C/c4cccc(Cl)c4,0.0
7212,CO-ADD:0231508,15.29,c1(oc(c2n1)ccc(c2)\N=C\c3cc(Cl)ccc3O)c4ccc(cc4Cl)F,0.0
7213,CO-ADD:0234746,15.29,n1c2c(oc1c3cccc(Br)c3)ccc(c2)\N=C\c(cc4)ccc4OCc5ccccc5,0.0
7214,CO-ADD:0231181,15.29,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(=O)c3cccc(Cl)c3,0.0
7215,CO-ADD:0231156,15.28,C(N(CC)CC)(=S)Oc(cc1)ccc1C(=O)Nc2cccc(Br)c2,0.0
7216,CO-ADD:0236191,15.28,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)Nc(cc3)ccc3OC,0.0
7217,CO-ADD:0233283,15.28,c1(c(O)ccc(cccc2)c12)\C=N\C(C)C\N=C\c3c(O)ccc(cccc4)c34,0.0
7219,CO-ADD:0236587,15.28,C12(c3c(NC1=O)ccc(c3)[N+](=O)[O-])C(C#N)=C(N)OC(C)=C2C(OC)=O,0.0
7220,CO-ADD:0236456,15.28,s1c(c(cc2)ccc2[N+](=O)[O-])nnc1NC(=O)c3ccco3,0.0
7221,CO-ADD:0227925,15.28,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\C=C\c4ccccc4[N+](=O)[O-],0.0
7222,CO-ADD:0232994,15.28,C(=O)(N(CC1)CCN1CCNC(=O)C(=O)NCc2ccccc2)c3ccccc3Cl,0.0
7223,CO-ADD:0237314,15.28,CC(C)(C)c1cc(C(=O)N2CCN(CC2)c3nccnc3C#N)n(Cc4ccccc4)n1,0.0
7224,CO-ADD:0237228,15.28,Clc1ccc(Cl)c(CO[C@H]2CCCC[C@@H]2n3ccnc3)c1,0.0
7225,CO-ADD:0237090,15.28,CCC(=O)Nc1ccccc1C(=O)Nc2ccccn2,0.0
7226,CO-ADD:0237153,15.28,Cc1cc2ccccc2n1CC(=O)N3CC(Oc4ccccc34)C(=O)N5CCCCC5,0.0
7227,CO-ADD:0234455,15.28,C(c1cccs1)#Cc2ccccc2,0.0
7228,CO-ADD:0235972,15.28,C1(C2=O)C(NN=C1C(OC)=O)C(N2c3ccc(cc3)Br)=O,0.0
7229,CO-ADD:0233779,15.28,N(CC1)(CCC1(C)c2sccn2)C([C@@H](N)CCC(O)=O)=O.Cl,0.0
7230,CO-ADD:0236387,15.27,n1c(c(ccc(c2F)OC)c2)csc1Nc3ccccc3OC.Br,0.0
7231,CO-ADD:0236382,15.27,n1c(c2ccc(cc2)Cl)csc1Nc(cc3)ccc3F.Br,0.0
7232,CO-ADD:0233426,15.27,c1(c2ccc(cc2)\N=C\c(cc(Br)cc3Cl)c3O)sc(c4n1)cccc4,0.0
7233,CO-ADD:0236464,15.27,n(c1C)(nnc1C(=O)N\N=C\c(cc2)ccc2Br)c3nonc3N,0.0
7234,CO-ADD:0234877,15.27,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(COc(cc3)ccc3Cl)=O)Br,0.0
7235,CO-ADD:0234918,15.27,c1(OCC(=O)N\N=C\c2ccc(C)o2)c(Br)cc(cc1Br)OC,0.0
7236,CO-ADD:0234739,15.27,c1(c(\C=N\NC(=O)\C(=C/c(ccc(c23)OCO2)c3)\NC(c4ccccc4)=O)ccc(OC(C)=O)c1OC)[N+](=O)[O-],0.0
7237,CO-ADD:0233597,15.27,c(c1)(c(N(C)C)cc(OC)c1C(=O)N(CC2)CCN2C)[N+](=O)[O-],0.0
7238,CO-ADD:0231646,15.27,c1([nH]c(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c(cc4)ccc4Cl,0.0
7239,CO-ADD:0234698,15.27,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)c3ccccc3Br,0.0
7240,CO-ADD:0234480,15.26,C(=C\c1ccccc1)/C(=O)C2(CCCCC2)C,0.0
7241,CO-ADD:0236458,15.26,n(c1C)(nnc1C(=O)N\N=C\c2cccc(Br)c2)c3nonc3N,0.0
7242,CO-ADD:0229040,15.26,C(NC(OCC)=O)(NC(OCC)=O)NC(OCC)=O,0.0
7243,CO-ADD:0229811,15.26,c1(NC(=O)c(cc2)ccc2S(c3ccccc3)(=O)=O)sc(c4c1C#N)CCC4,0.0
7244,CO-ADD:0236095,15.26,N1(C(c(cccc2[N+](=O)[O-])c2)CC(c3cc(C)ccc3C)=N1)c4scc(c5ccccc5)n4.Br,0.0
7245,CO-ADD:0233683,15.26,N(=C(\N)/c(cc1)ccc1\C(\N)=N/C(OC(=O)C(F)(F)F)C(Cl)(Cl)Cl)/C(OC(=O)C(F)(F)F)C(Cl)(Cl)Cl,0.0
7246,CO-ADD:0236338,15.26,C(=C(C)NC(=C1C#N)SCC#N)(C(=O)Nc2ccccc2Cl)C1c3ccccc3,0.0
7247,CO-ADD:0234655,15.26,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(CNC(=O)c2ccco2)=O,0.0
7248,CO-ADD:0233623,15.26,C(=O)(Nc(cc1)ccc1OC)c2ccccc2F,0.0
7249,CO-ADD:0233608,15.26,C(c1ccccc1)(=O)NCc2ccco2,0.0
7250,CO-ADD:0234401,15.26,N1(c2cccc(cccc3)c23)C(C)=Nc(c4C1=O)cccc4,0.0
7251,CO-ADD:0236299,15.26,S(=O)(=O)(c(cccc1C(=O)Nc(cccc2c3nnc(c4ccccc4)o3)c2)c1)N(CC5)CCO5,0.0
7252,CO-ADD:0236277,15.26,c1(ccccc1NC(c2ccccc2)=O)C(=O)N\N=C\c(c3c([nH]4)cccc3)c4,0.0
7253,CO-ADD:0233434,15.26,c(cc(Br)cc1Cl)(\C=N\c(cc2)ccc2I)c1O,0.0
7254,CO-ADD:0234346,15.25,S(=O)(=O)(c1ccc(cc1)CC)Nc(cc2)ccn2,0.0
7255,CO-ADD:0236394,15.25,C(=O)(c1ccc(cc1)C)NCC(=O)OCC(=O)c2ccc(cc2)Br,0.0
7256,CO-ADD:0234930,15.25,C(=N/NC(COc1c(OC)cc(cc1[N+](=O)[O-])[N+](=O)[O-])=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
7257,CO-ADD:0234969,15.25,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(COc(cc2)ccc2C)=O,0.0
7258,CO-ADD:0234975,15.25,c1(OCC(=O)N\N=C\c(cc2)ccc2Br)c(C)cc(cc1C)Br,0.0
7259,CO-ADD:0236008,15.25,c1(NC(CSc2nccn2C)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
7261,CO-ADD:0236871,15.25,S(=O)(=O)(N(CC1)CCO1)c2cccc(Cl)c2Cl,0.0
7262,CO-ADD:0227427,15.25,N(/c(ccc(c12)cccc1)c2)=C\c(cccc3\C=N\c(ccc(c45)cccc4)c5)c3,0.0
7263,CO-ADD:0234419,15.25,C1(OCCO1)(c2c(N3CC(C)=C)cccc2)C3=O,0.0
7264,CO-ADD:0233177,15.25,S(=O)(=O)(c1cccc(c1)C(O)=O)N(CC2)CCO2,0.0
7265,CO-ADD:0233617,15.24,[N+](=O)([O-])c1ccc(cc1NCCNc(cc2)c(Cl)cc2[N+](=O)[O-])Cl,0.0
7266,CO-ADD:0234657,15.24,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccccc2Br)=O)Br)OC(=O)c3cccc(Br)c3,0.0
7267,CO-ADD:0234473,15.24,N(c1ccccc1)(CC2)CCN2CCOc3cccc(Cl)c3.Cl.Cl,0.0
7268,CO-ADD:0233381,15.24,[N+](=O)([O-])c1ccc(cc1)Oc(cc2)ccc2C,0.0
7269,CO-ADD:0236422,15.24,C(=O)(c1cccc(I)c1)Nc2ccc(cn2)Br,0.0
7270,CO-ADD:0236140,15.24,C(C#N)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
7271,CO-ADD:0234777,15.24,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)CC)SC(=NN2c6ccccc6)C(C)=O,0.0
7272,CO-ADD:0234270,15.24,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)O)c1,0.0
7273,CO-ADD:0234513,15.24,C(c1ccccn1)(=S)Nc(cc2)ccc2C,0.0
7274,CO-ADD:0231655,15.24,c1(OCC(=O)N\N=C\c2cccc(cccc3)c23)c(OC)cc(cc1Br)Br,0.0
7275,CO-ADD:0229740,15.24,C(=O)(Oc1ccc(cc1OCC)\C=N/NC(COc2ccc(cc2Br)Cl)=O)c3ccccc3Cl,0.0
7276,CO-ADD:0228009,15.24,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C/c(cc3)ccc3OCc4ccccc4,0.0
7277,CO-ADD:0231257,15.24,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc3c(C)ccc(Cl)c3,0.0
7278,CO-ADD:0229712,15.23,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2cccc(Br)c2)=O)O)c1,0.0
7279,CO-ADD:0229756,15.23,c1(c2ccc(cc2)NC(=O)C(F)(F)F)nc(c(cc3)ccc3NC(=O)C(F)(F)F)cc(c(cc4)ccc4NC(=O)C(F)(F)F)n1,0.0
7280,CO-ADD:0231651,15.23,c1(OCC(=O)N\N=C\c2ccccc2F)c(OC)cc(cc1Br)Br,0.0
7281,CO-ADD:0231306,15.23,S(=O)(=O)(c1ccc(cc1)C)N\N=C\c2ccc(cc2OCC)OCC,0.0
7282,CO-ADD:0227577,15.23,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc2cccc(Cl)c2)=O,0.0
7283,CO-ADD:0227874,15.23,S(NCCNc(cc1)c(Cl)cc1[N+](=O)[O-])(=O)(=O)c2ccc(c3c2)cccc3,0.0
7284,CO-ADD:0229883,15.23,N1(c2ccc(cc2Br)Br)NC(=C(\C=N\CCCCCCC)C1=O)C,0.0
7285,CO-ADD:0229275,15.23,C(F)(F)(C(F)(F)C(F)(F)C(NCCS(=O)(=O)[O-])=O)C(F)(F)C(F)(F)C(NCCS(=O)(=O)[O-])=O,0.0
7286,CO-ADD:0229253,15.23,N1(CNc(ccc(c23)c4c(cccc4)o2)c3)C(=O)c(c5C1=O)cccc5[N+](=O)[O-],0.0
7287,CO-ADD:0229557,15.22,C1(C(=O)NNC(=O)c2ccc(cc2)OC)=Cc3c(OC1=O)cccc3,0.0
7288,CO-ADD:0231358,15.22,c1(ccc(cc1Cl)Cl)C(=O)Oc2cc(ccc2\C=N\c(cc3)ccc3C)OC(=O)c4ccc(cc4Cl)Cl,0.0
7289,CO-ADD:0227104,15.22,c1(c(CCN(C)C1)nc(c2C#N)N)c2c3ccccc3,0.0
7290,CO-ADD:0227106,15.22,C1(C#N)(C#N)C(c2ccccc2F)C(C3)C(C(C#N)=C1N)=CCN3CC.[Na+],0.0
7291,CO-ADD:0227860,15.22,S(NCCN(CC)CC)(=O)(=O)c(cccc1[N+](=O)[O-])c1.Cl,0.0
7292,CO-ADD:0233761,15.22,N1(CCC[C@@H](C1)c(ccn2)o2)C(=O)C(C)(C)N.Cl,0.0
7293,CO-ADD:0229803,15.22,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(=O)N(CC3)CCO3)=O,0.0
7294,CO-ADD:0227654,15.22,N1(CN(CC2)CCO2)c(cccc3)c3\C(=N\NC(=O)c4ccccc4Cl)\C1=O,0.0
7295,CO-ADD:0234396,15.22,S(=O)(=O)(c(cccc1C(=O)Nc(cc2)ccc2Cl)c1)Nc3ccccn3,0.0
7296,CO-ADD:0234128,15.22,c1(\C=N\NC(=O)c2ccco2)c3c(cccc3)cc(cccc4)c14,0.0
7297,CO-ADD:0236098,15.22,N1(c2cccc(c2)c3csc(Nc4ccccc4OC)n3)C(=O)c5c(cccc5)C1=O.Br,0.0
7298,CO-ADD:0227875,15.22,S(C)(NCCCNc(cc1)c(Cl)cc1[N+](=O)[O-])(=O)=O,0.0
7299,CO-ADD:0227348,15.22,c1(\C=N/NC(CNc(ccc(c23)cccc2)c3)=O)c(O)ccc(cccc4)c14,0.0
7300,CO-ADD:0227517,15.22,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C/c3ccc(C)o3,0.0
7301,CO-ADD:0227809,15.22,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(c(OC)c4)OC)c3C#N)C#N,0.0
7302,CO-ADD:0229156,15.22,C(/S1)(\C(Cl)=NS1)=N/c2nncs2,0.0
7303,CO-ADD:0229347,15.22,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OCc3ccccc3)c4c(OC)ccc(Cl)c4,0.0
7304,CO-ADD:0227476,15.22,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(I)ccc2O)=C/c3cccs3,0.0
7305,CO-ADD:0231265,15.22,C(=O)(Nc1cccc(C)c1)\C(\C)=C\c2cccc(OC)c2,0.0
7306,CO-ADD:0231243,15.22,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc(cc3)ccc3OC,0.0
7307,CO-ADD:0229136,15.22,C(=O)(N\N=C\c1ccccc1OC)c(cccc2C(=O)N\N=C\c3ccccc3OC)c2,0.0
7308,CO-ADD:0236081,15.21,C(=O)(N\N=C\c(cc1OC)cc(c1O)Br)c2ccco2,0.0
7309,CO-ADD:0231576,15.21,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c(cc4)ccc4C(C)C,0.0
7310,CO-ADD:0236922,15.21,C(=O)(NC(C)(C)C)C(Br)C(Br)c1ccc(cc1)C#N,0.0
7311,CO-ADD:0227355,15.21,c1(\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)c(O)ccc(cccc4)c14,0.0
7312,CO-ADD:0229404,15.21,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Br)CC(=O)N\N=C(/C)\c3ccccc3O,0.0
7313,CO-ADD:0229111,15.21,[N+](=O)([O-])c1ccccc1COc2ccccc2\C=N\NC(=O)c3ccc(cc3)OCc4ccccc4,0.0
7314,CO-ADD:0229096,15.21,C(=O)(Nc1ccccc1C(=O)N\N=C\c(cc2)ccc2OCC)c3ccccc3F,0.0
7315,CO-ADD:0229288,15.21,N(=C\c(cc1)ccn1)/NC(Cc2ccccc2)=O,0.0
7316,CO-ADD:0227823,15.21,C(/C(OC)=O)(\CC(=O)c1ccc(cc1)OC)=N\NC(=O)C(C)(C)C,0.0
7317,CO-ADD:0227543,15.21,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(=O)\C(=C\c(ccc(c23)OCO2)c3)\NC(c4ccccc4)=O,0.0
7318,CO-ADD:0229349,15.21,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c2ccccc2O)c3c(OC)ccc(Cl)c3,0.0
7319,CO-ADD:0229292,15.21,C(C1CCCCC1)(=O)N(CC2)CCO2,0.0
7320,CO-ADD:0229575,15.21,C(OC)(=O)c1ccc(cc1)NC(=O)CCN(CC2)CCN2CCC(=O)Nc(cc3)ccc3C(OC)=O,0.0
7321,CO-ADD:0227572,15.21,c1(O)c(OC)cc(cc1OC)\C=N\NC(COc2cccc(Cl)c2)=O,0.0
7322,CO-ADD:0227435,15.21,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C/c(ccc(c2OC)O)c2,0.0
7323,CO-ADD:0229251,15.21,C(=S)(NC(C)(C)CC1(C)c2ccc(cc2O)O)N1c3ccccc3,0.0
7324,CO-ADD:0234972,15.21,c1(OCC(=O)N\N=C\c2ccc(cc2Cl)Cl)c(C)cc(cc1C)Br,0.0
7325,CO-ADD:0236078,15.21,S(=O)(=O)(c1cccc(c1)C(=O)N\N=C(/c2c(N3)cccc2)\C3=O)N(CC4)CCO4,0.0
7326,CO-ADD:0233447,15.2,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(=O)Cc2cccc(cccc3)c23)c4ccccc4Cl,0.0
7327,CO-ADD:0229437,15.2,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)c2ccc(cc2)NC(CCCCCCC)=O,0.0
7328,CO-ADD:0229393,15.2,N1(CC(=O)NCC(OC)=O)C(=O)c(c2C1=O)cccc2,0.0
7329,CO-ADD:0231850,15.2,c1(O)c(O)c(\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)cc(Br)c1O,0.0
7330,CO-ADD:0229544,15.2,N1(c(cc(cc2C(=O)Nc3cccc(c3)Oc(ccc(c4C5=O)C(O5)=O)c4)C(=O)Nc6cccc(c6)Oc(ccc(c7C8=O)C(O8)=O)c7)c2)C(=O)c(c9C1=O)cccc9,0.0
7331,CO-ADD:0229124,15.2,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c(cc3)ccc3F)c2,0.0
7332,CO-ADD:0231772,15.2,c1(oc(c2n1)ccc(c2)\N=C\c3ccccc3O)c4cccc(Cl)c4Cl,0.0
7333,CO-ADD:0227229,15.2,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c2ccccc2Cl,0.0
7334,CO-ADD:0231353,15.2,C(=O)(\C=C\c1ccccc1)Oc2ccccc2\C=N\Nc3ccccc3,0.0
7335,CO-ADD:0227589,15.2,c1(\C=N\NC(CNc2ccc(cc2Br)Br)=O)c(O)ccc(cccc3)c13,0.0
7336,CO-ADD:0236257,15.2,N1(c2ccc(cc2)OC)C(=O)\C(=C\c(c(cccc3)c3n4C)c4)\C(NC1=S)=O,0.0
7337,CO-ADD:0233172,15.2,C(=O)(Nc1ccc(cn1)Br)c2ccc(cc2Cl)Cl,0.0
7338,CO-ADD:0233602,15.2,S(=O)(=O)(c1ccc(cc1)Cl)c2c(C)cc(cc2C)C,0.0
7339,CO-ADD:0229509,15.2,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3I,0.0
7340,CO-ADD:0229323,15.2,C(=N/OC(=O)c1ccc(c(OC)c1)OC)(/c2c(N3C)cccc2)\C3=O,0.0
7341,CO-ADD:0229345,15.2,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OCC(=O)OC(C)(C)C)c3c(OC)ccc(Cl)c3,0.0
7342,CO-ADD:0229921,15.2,C(=O)(N\N=C\c(cc1)ccc1N(CC)CC)c2cccc(Br)c2,0.0
7343,CO-ADD:0229158,15.2,C(\C=N\c(cc1)ccc1I)#Cc2ccccc2,0.0
7344,CO-ADD:0229109,15.2,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c3ccccc3O)c2,0.0
7345,CO-ADD:0227888,15.2,C1(NC(=O)c2ccc3c(c(ccc4)CC3)c24)=C(C)N(N(c5ccccc5)C1=O)C,0.0
7346,CO-ADD:0229224,15.2,C(=O)(c(cccc1C(=O)N(c2ccccc2)c3ccccc3)c1)N(c4ccccc4)c5ccccc5,0.0
7347,CO-ADD:0229699,15.2,c1(NCC(=O)N\N=C\c2ccc(cc2O)O)c(Br)cc(cc1Br)Cl,0.0
7348,CO-ADD:0227149,15.2,N1(c2ccccc2C)C(=O)C(C(C34)C1=O)C(CC3=O)c(c45)cccc5,0.0
7349,CO-ADD:0229636,15.2,C1(C(OCC)=O)=C(C)NC(=O)NC1c(cc2)ccc2C(C)(C)C,0.0
7350,CO-ADD:0227518,15.2,c1(\C=N/NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c(C)cc(cc1O)O,0.0
7351,CO-ADD:0234661,15.19,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c(ccc(c23)OCO2)c3)=O)Br)OC(=O)c4cccc(Br)c4,0.0
7352,CO-ADD:0234236,15.19,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c3cccc(Br)c3,0.0
7353,CO-ADD:0233199,15.19,c1(N)nonc1N,0.0
7354,CO-ADD:0233607,15.19,C(=O)(Nc(cccc1C(F)(F)F)c1)c2ccccc2F,0.0
7355,CO-ADD:0229929,15.19,N1(CNc2cccc(OC)c2)C(=O)\C(\SC1=S)=C/c3cccc(Cl)c3Cl,0.0
7356,CO-ADD:0229148,15.19,C(OC)(=O)c1cccc(c1)NC(CCCCCCC)=O,0.0
7357,CO-ADD:0227497,15.19,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c4cccc(O)c4,0.0
7358,CO-ADD:0227983,15.19,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(ccc(c2Br)OC)c2,0.0
7359,CO-ADD:0231832,15.19,c1(\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)c(Br)cc(c(O)c1Br)Br,0.0
7360,CO-ADD:0227498,15.19,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c4cc(Cl)ccc4O,0.0
7361,CO-ADD:0227466,15.19,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(=O)\C(\NC(c3ccccc3)=O)=C\c4cccs4,0.0
7362,CO-ADD:0227314,15.18,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2OC)cc(c2O)OC,0.0
7363,CO-ADD:0228002,15.18,N1(C(C)=O)c2c(\C(=N/NC(COc3ccc(cc3OC)Br)=O)\C1=O)cccc2,0.0
7364,CO-ADD:0227920,15.18,C12(c3c(NC1=O)ccc(Br)c3)C(C#N)=C(N)OC(C)=C2C(OCC)=O,0.0
7365,CO-ADD:0229714,15.18,N(=C(/C)\c1ccc(cc1)Br)/NC(CNc2cccc(Br)c2)=O,0.0
7366,CO-ADD:0227272,15.18,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(cc3)ccc3Cl,0.0
7367,CO-ADD:0227120,15.18,c1(N(CC2)CCO2)nc(Nc(cc3)ccc3Cl)nc(Nc(cc4)ccc4Cl)n1,0.0
7368,CO-ADD:0227352,15.18,C(COc1ccc(cc1OC)Br)(=O)N\N=C(/C)\C=C\c2ccccc2,0.0
7369,CO-ADD:0229451,15.18,C(COc(cc1)ccc1F)(=O)N\N=C\c(cc2)ccc2OCCCCC,0.0
7370,CO-ADD:0236439,15.18,c1(SCC(=O)Nc2ccccc2Br)oc(c3n1)cccc3,0.0
7371,CO-ADD:0236124,15.18,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(\C3)/c4c(C3)cccc4)c5nonc5N,0.0
7372,CO-ADD:0236282,15.18,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
7373,CO-ADD:0236090,15.18,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C#N,0.0
7374,CO-ADD:0236502,15.18,C1(=Cc2c(OC1=O)ccc(Br)c2)c3csc(Nc4cccc(C)c4)n3,0.0
7375,CO-ADD:0234060,15.18,c1(ccccc1Cl)C(=O)N\N=C\c2ccccc2,0.0
7376,CO-ADD:0229480,15.18,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3I,0.0
7377,CO-ADD:0229185,15.18,c(C(=O)c1ccc(cc1)C)(sc(c23)nc(cc2c4ccccc4)c5ccccc5)c3N,0.0
7378,CO-ADD:0229318,15.18,N1(C(=O)c2c(cc(cc2)Oc(ccc(c3C4=O)C(N4C5=CNC(NC5=O)=O)=O)c3)C1=O)C6=CNC(NC6=O)=O,0.0
7379,CO-ADD:0229633,15.17,c1(Nc2ccccc2OC)c(c(C)nc(Nc(cc3)ccc3C)n1)[N+](=O)[O-],0.0
7380,CO-ADD:0231267,15.17,S(=O)(=O)(c1ccc(cc1)C)N\N=C\c2ccccc2OCC=C,0.0
7381,CO-ADD:0236333,15.17,c1(C#N)c(SCC(=O)Nc2ccccc2)nsc1SCC(=O)Nc3ccccc3,0.0
7382,CO-ADD:0233420,15.17,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3ccccc3Br,0.0
7383,CO-ADD:0231310,15.17,C(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\c3ccc(cc3C)C,0.0
7384,CO-ADD:0229885,15.17,c(C(=O)c(cccc1)c1C2=O)(c3c4ccc(cc4)OC)c2c(n3c5ccc(cc5)OC)c6ccccc6,0.0
7385,CO-ADD:0229895,15.17,[N+](=O)([O-])c(cc(Oc(cccn1)c1)cc2Sc3ccccc3)c2,0.0
7386,CO-ADD:0229922,15.17,C(c1ccccc1)(=O)Oc(cc2)ccc2OCc3ccccc3,0.0
7387,CO-ADD:0227881,15.17,N1(CN(CC)c2ccccc2)C(=O)c3c(cccc3)C1=O,0.0
7388,CO-ADD:0229559,15.17,N(c1ccccc1)(CC2)CCN2CCC(=O)Nc3cccc(Cl)c3,0.0
7389,CO-ADD:0227545,15.17,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\c2cc(CC)ccc2O)Br,0.0
7390,CO-ADD:0227167,15.17,C(=O)(c1ccc(cc1)NC(=O)c2cccc(C)c2)N(CC)c3ccccc3,0.0
7391,CO-ADD:0227171,15.17,C(NCCCCCC)(=O)c1ccc(cc1)NC(CCCCCCCCC)=O,0.0
7392,CO-ADD:0227581,15.16,C(=N\NC(COc1cccc(Cl)c1)=O)(/c2c(N3C)cccc2)\C3=O,0.0
7393,CO-ADD:0231259,15.16,N(/c(cc1)ccc1Br)=C\c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
7394,CO-ADD:0231232,15.16,C(c1ccccc1)(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3F,0.0
7395,CO-ADD:0229511,15.16,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)c(O)cc3[N+](=O)[O-],0.0
7396,CO-ADD:0229098,15.16,C(c1ccccc1)(=O)Nc(cc2)ccc2C(=O)N\N=C\c(cc(Cl)cc3Cl)c3OC,0.0
7397,CO-ADD:0227718,15.16,c1(NC(=O)c2ccc(cc2Cl)Cl)sc(c3c1C#N)CCCC3,0.0
7398,CO-ADD:0227795,15.16,c1(ccn(CC(C)=O)n1)[N+](=O)[O-],0.0
7399,CO-ADD:0227482,15.16,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5ccc(cc5)Br)OCC,0.0
7400,CO-ADD:0227749,15.16,c(cc(NC(Cc(cc1)ccc1F)=O)cc2Sc3ccccc3)(NC(Cc(cc4)ccc4F)=O)c2C,0.0
7401,CO-ADD:0231331,15.15,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(cc2)ccc2OCc(ccc(c34)cccc3)c4,0.0
7402,CO-ADD:0227291,15.15,c1(O)c(I)cc(cc1I)\C=N\NC(COc2ccc(cc2OC)Br)=O,0.0
7403,CO-ADD:0227850,15.15,s1c(c2ccccc2)nnc1NC(=O)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
7404,CO-ADD:0227383,15.15,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O,0.0
7405,CO-ADD:0229583,15.15,c1([N+](=O)[O-])nn(c(C)c1Cl)CC(=O)Nc(cc(Oc(cccn2)c2)cc3[N+](=O)[O-])c3,0.0
7406,CO-ADD:0227328,15.15,c1(\C=N\NC(COc2ccc(cc2OC)Br)=O)c(Br)cc(c(O)c1Br)Br,0.0
7407,CO-ADD:0237013,15.15,O[C@@H](C(N/C=C/C(NCCCCCCC)=O)=O)C(C)(C)CO,0.0
7408,CO-ADD:0227635,15.15,c1(c2ccc(cc2)OC)nc(sc1c(cc3)ccc3[N+](=O)[O-])N,0.0
7409,CO-ADD:0234440,15.15,C1(C)(OCCO1)CC(=O)N\N=C\c(cc2)ccc2C#N,0.0
7410,CO-ADD:0234747,15.15,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2c(C)cccc2C)=O)c3ccccc3Br,0.0
7411,CO-ADD:0234965,15.15,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-],0.0
7412,CO-ADD:0233783,15.15,n1(cc(nc1)n(cc2C(=O)OC)nn2)C(C)(C)C,0.0
7413,CO-ADD:0236440,15.15,c1(SCC(=O)Nc(cc2)ccc2C#N)oc(c3n1)cccc3,0.0
7414,CO-ADD:0236125,15.14,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c(ccc(c3OC)OC)c3)c4nonc4N,0.0
7415,CO-ADD:0236843,15.14,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
7416,CO-ADD:0234869,15.14,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2c(C)cccc2C)=O)c3ccccc3Cl,0.0
7417,CO-ADD:0234920,15.14,c1(N(CC2)CCO2)nc(N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])nc(Nc(cccc5[N+](=O)[O-])c5)n1,0.0
7418,CO-ADD:0234325,15.14,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
7419,CO-ADD:0234945,15.14,c1(OCC(=O)N\N=C\c(cc2OC)cc(c2OC)OC)c(Br)cc(cc1Br)OC,0.0
7420,CO-ADD:0236480,15.14,n(c1C)(nnc1C(=O)N\N=C(/C)\c(cccn2)c2)c3nonc3N,0.0
7421,CO-ADD:0234289,15.14,c1(c2ccc(cc2)I)ccc(\C=N\NC(=O)c(c3)cc(cn3)Br)o1,0.0
7422,CO-ADD:0234217,15.14,c1(oc(c2n1)ccc(c2)\N=C\c3ccc(cc3O)O)c4cc(Cl)ccc4Cl,0.0
7423,CO-ADD:0234101,15.14,S(=O)(=O)(c1ccc(cc1)C)NCC(NN)=O,0.0
7424,CO-ADD:0236515,15.14,C(C#N)(C1c2ccc(cc2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,0.0
7425,CO-ADD:0233577,15.14,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(=O)c(c3)cc(cn3)Br)o1,0.0
7426,CO-ADD:0234782,15.14,c1(nnc(SCC)s1)NC(=O)c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2,0.0
7427,CO-ADD:0233134,15.14,o(c1c2ccc(cc2)OC)c(c3ccc(cc3)OC)nn1,0.0
7428,CO-ADD:0233416,15.13,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c3cccc(Br)c3,0.0
7429,CO-ADD:0233776,15.13,N1(CCC[C@@H](C1)c(ccn2)o2)C(=O)[C@@H](N)CC(C)C.Cl,0.0
7430,CO-ADD:0233768,15.13,N(CCC[C@@H]1c(ccn2)o2)(C1)C(=O)CC[C@H](N)C(N)=O.Cl,0.0
7431,CO-ADD:0233760,15.13,N1(CCC[C@@H](C1)c(ccn2)o2)C(=O)[C@@H]3CCCCN3.Cl,0.0
7432,CO-ADD:0234404,15.13,S(=O)(=O)(Nc(cc1)ccc1[N+](=O)[O-])C2=C(C)NC(NC2=O)=O,0.0
7433,CO-ADD:0236427,15.13,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
7434,CO-ADD:0234059,15.13,C(O)(C(F)(F)F)(C(F)(F)F)c1ccc(C)o1,0.0
7435,CO-ADD:0234352,15.13,n(c(c1)c(n2CC)ccc1C(=O)Nc3ccccc3)c2C,0.0
7436,CO-ADD:0233360,15.13,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2C)C)CC(=O)N3CCCCC3,0.0
7437,CO-ADD:0233344,15.13,C1(CCCC1)(CNC(Cc(ccc(c2OC)OC)c2)=O)c3ccc(cc3)OCCC,0.0
7438,CO-ADD:0233194,15.12,[N+](=O)([O-])c(cc1)ccc1C2NCCc(cc(c(OC)c3)OC)c23,0.0
7439,CO-ADD:0234512,15.12,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(c5)c(N(CC6)CCO6)cc(N(CC7)CCO7)c5[N+](=O)[O-],0.0
7440,CO-ADD:0233569,15.12,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(=O)\C(\NC(c3ccccc3)=O)=C/c4cccs4)[N+](=O)[O-],0.0
7441,CO-ADD:0236403,15.12,c1(ccc(Br)o1)C(=O)Oc(cc2)ccc2C(C)(C)c3ccc(cc3)OC(=O)c4ccc(Br)o4,0.0
7442,CO-ADD:0229019,15.12,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2C(=O)Nc(cc3)ccc3C,0.0
7443,CO-ADD:0227800,15.12,N1(C(NC)=O)c(ccc(c2)Cl)c2OC1=S,0.0
7444,CO-ADD:0233538,15.12,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cccc3OC(=O)c4cccc(Br)c4)c3,0.0
7445,CO-ADD:0233534,15.12,c1(c(OC)cc(c(\C=N\NC(=O)\C(=C/c(ccc(c23)OCO2)c3)\NC(c4ccccc4)=O)c1)OC)[N+](=O)[O-],0.0
7446,CO-ADD:0235968,15.12,N1(c2ccccc2C(O)=O)C(=O)c3c(cc(c(Cl)c3)Cl)C1=O,0.0
7447,CO-ADD:0233517,15.12,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccccc2OC)=O)N(CC(C)C)CC(C)C)c1,0.0
7448,CO-ADD:0233387,15.12,S(=O)(=O)(c1ccc(cc1)C)Nc(cc2)ccc2OCC,0.0
7449,CO-ADD:0234072,15.12,c1(c(O)cc(c(O)c1)S)[N+](=O)[O-],0.0
7450,CO-ADD:0234707,15.12,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
7451,CO-ADD:0234754,15.12,c1(c2c(sc1NC(c3ccccc3)=O)CCCC2)C(=O)N(CC4)CCN4C,0.0
7452,CO-ADD:0234724,15.12,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
7453,CO-ADD:0236009,15.12,c1(NC(CSC2=NN=C(C(=O)N2)C)=O)sc(c3c1C(OCC)=O)CCC3,0.0
7454,CO-ADD:0230548,15.12,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C(/C)\c3ccc(c4c3)cccc4,0.0
7455,CO-ADD:0228828,15.11,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3C(C)=O,0.0
7456,CO-ADD:0223777,15.11,C(/c(cc1)ccc1OC)=C\c(cc2)ccc2OC,0.0
7457,CO-ADD:0223769,15.11,c(C(O)=O)(c1Cl)c(Cl)sn1,0.0
7458,CO-ADD:0223738,15.11,c1(Br)c2c(cccc2)ccc1OC(CC)C(=O)N\N=C\c3ccccc3Cl,0.0
7459,CO-ADD:0223521,15.11,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3NC(C)=O,0.0
7460,CO-ADD:0223791,15.11,C(NCCCCCC(O)=O)(=O)c1ccc(cc1)Br,0.0
7461,CO-ADD:0228656,15.11,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(NCc(cc2)ccc2OC(C)C)=S,0.0
7462,CO-ADD:0230124,15.11,N#Cc1cc(ccc1C#N)Oc(cc2)cc(c2Oc(ccc(c3C#N)C#N)c3)Br,0.0
7463,CO-ADD:0230404,15.1,N(C(C)Oc(c12)ccc(c1)[N+](=O)[O-])(c(cccc3)c34)C2OC4(c5ccccc5)c6ccccc6,0.0
7464,CO-ADD:0223446,15.1,N(CC1)(CCO1)CC(NCCCCCNC(=O)CN(CC2)CCO2)=O,0.0
7465,CO-ADD:0228625,15.1,S(=O)(=O)(c1c(C)ccc(c1)C(=O)Nc(cc2)ccc2[N+](=O)[O-])Nc3ccccn3,0.0
7466,CO-ADD:0230885,15.1,C(=C/c(cc1)ccc1Br)(/c2c3ccc(c2)[N+](=O)[O-])\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
7467,CO-ADD:0228736,15.1,c12c(cc(cccc3)c3n1)C(c(cc(C)c(C)c4)c24)=O,0.0
7468,CO-ADD:0223213,15.1,c1(cc(\C=N\NC(CNc(cc2)ccc2C)=O)cc(OC)c1O)[N+](=O)[O-],0.0
7469,CO-ADD:0228829,15.1,C(=O)(N\N=C\c(ccc(c1O)O)c1)N\N=C\c(ccc(c2O)O)c2,0.0
7470,CO-ADD:0230686,15.1,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O,0.0
7471,CO-ADD:0230668,15.1,C(=O)(Nc(cccn1)c1)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O,0.0
7472,CO-ADD:0223325,15.1,[N+](=O)([O-])c(cc1)cc(c1c2ccc(\C=N\NC(=O)c3ccc(cc3)N)o2)Cl,0.0
7473,CO-ADD:0230707,15.1,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O,0.0
7474,CO-ADD:0230611,15.1,c1(c2ccco2)c(C(O)=O)c(C)nc(C)c1C(O)=O,0.0
7475,CO-ADD:0223087,15.1,N1(CCc(cccc2)c12)C(OC)=O,0.0
7476,CO-ADD:0223072,15.1,C(=O)(N\N=C\c1cccs1)C(=O)Nc2cc(C)ccc2C,0.0
7477,CO-ADD:0228248,15.1,c1(N(CC2)CCO2)nc(NCc3ccco3)nc(Nc4ccc(cc4Br)C)n1,0.0
7478,CO-ADD:0230601,15.1,C(CC(C1)CC1)(=O)Nc(ccc(c2C)C)c2,0.0
7479,CO-ADD:0228493,15.1,N1(CCOCc2ccccc2)C(=O)c3c(c4C1=O)c(c(CC5)cc3)c5cc4,0.0
7480,CO-ADD:0230097,15.09,C(COc1cccc(Cl)c1)(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
7481,CO-ADD:0228317,15.09,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2Cl)\C(N1c3ccc(cc3)OC)=O,0.0
7482,CO-ADD:0228702,15.09,N1(C(c2ccc(cc2)F)CC(c(cccc3[N+](=O)[O-])c3)=N1)c4scc(c5cc(C)ccc5C)n4.Br,0.0
7483,CO-ADD:0228434,15.09,c1(ccoc1C)C(=O)NCc2ccccc2,0.0
7484,CO-ADD:0230438,15.09,N#Cc(cc(cc1Oc2cccc(c2)Oc(c3)cc(cc3C#N)C#N)C#N)c1,0.0
7485,CO-ADD:0230512,15.09,N(=C/c1ccccc1O)/NC(CCCc(ccc(c2C)OC)c2)=O,0.0
7486,CO-ADD:0228714,15.09,N1(C)C(=O)CC(N(CC2)CCN2Cc3ccccc3)C1=O,0.0
7487,CO-ADD:0228511,15.09,C1(C#N)(C#N)C(c2ccc(cc2F)F)C(C3)C(C(C#N)=C1N)=CCN3Cc4ccccc4,0.0
7488,CO-ADD:0232004,15.09,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(ccc(c4Br)OC)c4,0.0
7489,CO-ADD:0230284,15.09,N(=C(/C)\c(cc1)ccc1C(C)(C)C)/NC(COc2ccc(cc2Br)Cl)=O,0.0
7490,CO-ADD:0228302,15.09,c1(cc(ccc1N(CC2)CCN2Cc3ccccc3)\C=N\n(c4)cnn4)[N+](=O)[O-],0.0
7491,CO-ADD:0228950,15.09,c1(c(O)ccc(cccc2)c12)\C=N\c(ccc3c4Cc(c35)cccc5)c4,0.0
7492,CO-ADD:0223174,15.09,c1(CC(NN)=O)oc(c2n1)cccc2,0.0
7493,CO-ADD:0223715,15.09,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\c(ccc(c2OC)OCCCCCC)c2,0.0
7494,CO-ADD:0223644,15.09,c1(\C=N\NC(COc(cc2)ccc2OCc3ccccc3)=O)cc(Br)ccc1OCCC,0.0
7495,CO-ADD:0228527,15.09,c1(C(=O)Nc2ccccn2)sc3c(c(C)cc(C)n3)c1N,0.0
7496,CO-ADD:0228520,15.09,C1(C#N)(C#N)[C@H](c2ccc(cc2)Br)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(C)=O,0.0
7497,CO-ADD:0228811,15.09,N(c1ccc(c(C)c1)C)(N=C(C2C(c(cc3)ccc3[N+](=O)[O-])C(C(C)=NN4c5ccc(c(C)c5)C)C4=O)C)C2=O,0.0
7498,CO-ADD:0223752,15.08,c1(ccc(\C=N\NC(c2ccccc2)=O)s1)[N+](=O)[O-],0.0
7499,CO-ADD:0223145,15.08,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(COc(ccc(c3C)C)c3)=O)[N+](=O)[O-],0.0
7500,CO-ADD:0230392,15.08,c1(C(F)(F)F)nc(sc1c2ccc(cc2)Cl)N\N=C\c(ccc(c3OC)O)c3,0.0
7501,CO-ADD:0228370,15.08,n1c(c2ccc(cc2)F)csc1Nc3ccccc3OC.Br,0.0
7502,CO-ADD:0230319,15.08,C(c1ccccc1)(=O)Nc2cccc(C)c2,0.0
7503,CO-ADD:0223674,15.08,c1(\C=N\NC(=O)C(C)Oc(cc2)ccc2Br)c(cccc1Cl)Cl,0.0
7504,CO-ADD:0235589,15.08,N12C(C=CC=C1)=NC(=O)CC2=O,0.0
7505,CO-ADD:0223500,15.08,c1(N\N=C\c2ccccc2O)nncn1N,0.0
7506,CO-ADD:0223456,15.08,c1(ccccc1OC)C(=O)N\N=C\C=N\NC(=O)c2ccccc2OC,0.0
7507,CO-ADD:0223748,15.08,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c2ccccc2OCCC,0.0
7508,CO-ADD:0223587,15.08,C(CN(CCCC1(CCOC2(C)C)C2)C1)#C.Cl,0.0
7509,CO-ADD:0228816,15.07,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C\Nc3ccc(cc3[N+](=O)[O-])C,0.0
7510,CO-ADD:0230435,15.07,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cc3)ccc3I,0.0
7511,CO-ADD:0228048,15.07,n1c2c(oc1c3ccc(cc3)Cl)ccc(c2)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
7512,CO-ADD:0230298,15.07,c1(\C(=N/N)\c2c3cccc2)c3nc4c(cccc4)n1,0.0
7513,CO-ADD:0223659,15.07,s1c(\C=N\NC(COc(cc2)ccc2C(C)C)=O)ccc1Br,0.0
7514,CO-ADD:0223651,15.07,c1(\C=N\NC(COc2cccc(Br)c2)=O)cc(Br)ccc1OCCC,0.0
7515,CO-ADD:0230135,15.07,C(=O)(N\N=C\c1ccccc1Cl)c2ccc(cc2)OCC=C,0.0
7516,CO-ADD:0228688,15.07,N1(c2ccc(cc2)Sc(cc3)ccc3Sc(cc4)ccc4Sc(cc5)ccc5N6C(=O)C7C(C8CC7C=C8)C6=O)C(=O)C9C(C%10CC9C=C%10)C1=O,0.0
7517,CO-ADD:0223574,15.07,[N+](=O)([O-])\N=C(/N)\N\N=C(/C)\c1ccc(cc1)O,0.0
7518,CO-ADD:0223655,15.06,c1(ccccc1OCc2cccc(Br)c2)C(=O)N\N=C\c3ccc(Br)s3,0.0
7519,CO-ADD:0232259,15.06,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c5c(O)cc(c(Cl)c5C)C,0.0
7520,CO-ADD:0228275,15.06,N(/c(cc1)ccc1Cc(cc2)ccc2\N=C\c(cc3)ccc3Br)=C\c(cc4)ccc4Br,0.0
7521,CO-ADD:0228315,15.06,S(=O)(=O)(N1CCCCC1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c3ccccc3F,0.0
7522,CO-ADD:0228061,15.06,n(Cc1ccccc1)(c2c(c3\C=N\NC(CNc4ccccc4C)=O)cccc2)c3,0.0
7523,CO-ADD:0230499,15.06,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2C(C)C)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4C,0.0
7524,CO-ADD:0230442,15.06,C(Nc1cccc(Br)c1)(C(=O)c(cccc2)c2C3=O)=C3N(CC4)CCO4,0.0
7525,CO-ADD:0230436,15.06,C(=O)(Nc(cc1)ccc1OCC)c2ccc(c(OC)c2)OC,0.0
7526,CO-ADD:0230838,15.06,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C(/C)\c2ccc(cc2)OCC,0.0
7527,CO-ADD:0228501,15.06,C12(c3c(NC1=O)ccc(Br)c3)C4=C(CCCC4=O)OC(N)=C2C(OC)=O.[Na+],0.0
7528,CO-ADD:0231964,15.06,n1c2c(oc1c3ccc(cc3)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])Br)cccc2C,0.0
7529,CO-ADD:0228878,15.06,C1(CN(C)C)\C(=N\O)\C(CC12)C(C2(C)C)C,0.0
7530,CO-ADD:0232444,15.05,c1(c(O)c(\C=N\c(cc2)ccc2c3oc(c4n3)cccc4C)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
7531,CO-ADD:0223118,15.05,c(\C=N\NC(COc(cc1)ccc1Cl)=O)(cc(I)cc2I)c2O,0.0
7532,CO-ADD:0228471,15.05,N1(c2ccc(c(Cl)c2)Cl)C(=O)c(c(cc(c3C4=O)C(N4c5ccc(c(Cl)c5)Cl)=O)C1=O)c3,0.0
7533,CO-ADD:0230133,15.05,N#CCC(=O)N\N=C\c1ccccc1Cl,0.0
7534,CO-ADD:0228907,15.05,c(cc(I)cc1I)(\C=N\c2cc(ccc2O)Cc(ccc(c3\N=C\c(cc(I)cc4I)c4O)O)c3)c1O,0.0
7535,CO-ADD:0232247,15.05,n1c2c(oc1c3cccc(c3)\N=C\c4c(O)cc(c(Cl)c4C)C)cc(C)c(C)c2,0.0
7536,CO-ADD:0235731,15.05,C(C1)(CN(C2)CN3CN12)(C3)\C(=N/N=C/c4c5c(cccc5)cc(cccc6)c46)\c7ccc(c(Cl)c7)Cl,0.0
7537,CO-ADD:0223441,15.05,C(C#N)(C1CCCCCCC)=C(N)SC(N)=C1C#N,0.0
7538,CO-ADD:0223515,15.05,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/NNc(ccc(c3C)C)c3,0.0
7539,CO-ADD:0223723,15.05,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c2ccccc2OCC,0.0
7540,CO-ADD:0235048,15.04,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3Cl)c4c(O)cc(c5c4)cccc5,0.0
7541,CO-ADD:0223495,15.04,C(=N/Nc1nonc1N)(/C2=O)\C(=O)NC(=O)N2,0.0
7542,CO-ADD:0223469,15.04,C(=C(/C)\C)(/C(=O)N\N=C(\c1ccccc1)/C(O)c2ccccc2)\NC(c3ccccc3)=O,0.0
7543,CO-ADD:0223356,15.04,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C\Nc(c(Cl)ccc3[N+](=O)[O-])c3,0.0
7544,CO-ADD:0230523,15.04,C(=O)(Nc(ccc(c1Cl)Cl)c1)C(NCCCO)=O,0.0
7545,CO-ADD:0223790,15.04,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CCCCCCC)=O,0.0
7546,CO-ADD:0228413,15.04,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3c4ccc(cc4)F)C1=O,0.0
7547,CO-ADD:0230160,15.04,[N+](=O)([O-])c1ccccc1NC(=O)\C=C\c2ccccc2,0.0
7548,CO-ADD:0228363,15.04,c12c(ccc(OC)c1OC)C(OC2=O)Nc(cc3)ccc3C(OC)=O,0.0
7549,CO-ADD:0228443,15.04,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)OCC(=O)c3ccc(cc3)Cl,0.0
7550,CO-ADD:0230328,15.04,S(CCCCCCCC)(=O)(=O)N\N=C\c(cc1C(C)(C)C)cc(c1O)C(C)(C)C,0.0
7551,CO-ADD:0231962,15.04,c1(oc(c2n1)ccc(c2)\N=C\c(cc(OCO3)c3c4)c4Br)c5cc(Cl)ccc5Cl,0.0
7552,CO-ADD:0232488,15.04,c(\C=N\c1ccc2c(c(ccc3)CC2)c13)(c(C)c4Cl)c(O)c(c4C)Br,0.0
7553,CO-ADD:0228410,15.03,C1(=O)c2c(CN1CC\N=C\c(ccc(c3OC)OC)c3)cccc2,0.0
7554,CO-ADD:0223657,15.03,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c2cccc(OC)c2,0.0
7555,CO-ADD:0230316,15.03,c1(c2ccccn2)cc(c3[nH]1)cccc3,0.0
7556,CO-ADD:0230674,15.03,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
7557,CO-ADD:0230116,15.03,C(CSc1ccccc1)(=O)N\N=C\c2cccc(Cl)c2,0.0
7558,CO-ADD:0232243,15.03,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c4ccc(cc4Cl)Cl,0.0
7559,CO-ADD:0223463,15.03,C(c1ccccc1)(=O)NC(Cc2ccccc2)C(=O)OC\C(\c3ccc(cc3)Br)=N\O,0.0
7560,CO-ADD:0230575,15.03,C(=O)(N\N=C\c(cc1)ccc1OCCCCCCC)c2cccc(F)c2,0.0
7561,CO-ADD:0230108,15.03,N#CCC(=O)N\N=C/c1ccccc1OCCCCCCCC,0.0
7562,CO-ADD:0228667,15.03,C1(CC)(C(OCC)=O)CC(OC1=O)(C)c2csc(Nc3ccccc3)n2,0.0
7563,CO-ADD:0228663,15.02,S(=O)(=O)(Nc1ccc(cc1C(=O)Nc(cc2)ccc2Cl)Cl)c3cccc(nsn4)c34,0.0
7564,CO-ADD:0230872,15.02,C(F)(F)(C(=O)N\N=C\c(cc1)ccc1NC(C)=O)C(F)(F)C(F)(F)F,0.0
7565,CO-ADD:0228489,15.02,N1(\N=C\c(cc2)ccc2O)C(=S)SC(C)(C)C1N(O)C(=O)NC3CCCCC3,0.0
7566,CO-ADD:0228159,15.02,C(CNc1cccc(Br)c1)(=O)N\N=C\c2ccccc2O,0.0
7567,CO-ADD:0232187,15.02,c1(\C=N\c(cccc2c3oc(c4n3)cccc4)c2)c(O)c(OC)cc(Br)c1Br,0.0
7568,CO-ADD:0229956,15.02,C1(C(NC)=O)=C(C=C(C)NC1=S)C(=O)Cc2ccc(C)o2,0.0
7569,CO-ADD:0229941,15.02,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C/c(ccc3I)o3,0.0
7570,CO-ADD:0230802,15.02,C(OC)(=O)c1ccc(cc1)\C=N\NC(CCC(=O)Nc(cc2)ccc2OC)=O,0.0
7571,CO-ADD:0230042,15.02,N1(c2c(OC1=O)cccc2)CN3c4c(OC3=O)cccc4,0.0
7572,CO-ADD:0230656,15.02,C(=C\c(cc1)ccc1Br)(/c2c3cc(C)cc2)\c(cc(cccc4)c4n5)c35,0.0
7573,CO-ADD:0228890,15.02,c1(\N=C\c2c3c(cccc3)cc(cccc4)c24)n(c5ccccc5)nc(C)c1c6cccc(Br)c6,0.0
7574,CO-ADD:0230854,15.02,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3c4c(cccc4)cc(cccc5)c35,0.0
7575,CO-ADD:0230730,15.02,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2Br)(=S)Nc(cc3)ccc3Br,0.0
7576,CO-ADD:0230716,15.02,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccc2OCC,0.0
7577,CO-ADD:0230770,15.02,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)C(C)NC(c2ccccc2)=O,0.0
7578,CO-ADD:0230726,15.02,N(C(c1ccccc1)C(=O)N\N=C\c2ccccc2)C(c3ccccc3)=O,0.0
7579,CO-ADD:0230777,15.02,C(COc1ccccc1C)(=O)N\N=C(/C)\CC(=O)NCc(cc2)ccc2N(CC)CC,0.0
7580,CO-ADD:0232549,15.01,n(\N=C\c1ccccc1OC)(cnn2)c2,0.0
7581,CO-ADD:0230745,15.01,[N+](=O)([O-])c1cccc(c1)NC(=O)c2ccc(cc2)OC(=S)Nc(cc3)ccc3I,0.0
7582,CO-ADD:0231919,15.01,N(=C(/CC)\c1ccccc1)/NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
7583,CO-ADD:0235648,15.01,c(NC(CCCC(OC)=O)=O)(c1c2CCCC1)c3c(n2)CCC3,0.0
7584,CO-ADD:0235808,15.01,C(NCCNC(c1ccccc1)=O)(c2ccccc2)=O,0.0
7585,CO-ADD:0235800,15.01,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3O)CCC2,0.0
7586,CO-ADD:0223301,15.01,C(Cl)(Cl)(Cl)C(c(cc1)cc(c1OC(c2ccccc2)=O)C)c(cc3)cc(c3OC(c4ccccc4)=O)C,0.0
7587,CO-ADD:0230684,15.01,[N+](=O)([O-])c1ccccc1C(=O)N\N=C\c(cc2)ccc2OC(=O)c(cc3)ccc3C(=O)Oc(cc4)ccc4\C=N\NC(=O)c5ccccc5[N+](=O)[O-],0.0
7588,CO-ADD:0232577,15.01,[N+](=O)([O-])c(ccc(c1\C=N\c(ccc(c23)c4c(cccc4)o2)c3)N(CC5)CCO5)c1,0.0
7589,CO-ADD:0232562,15.01,C1(=Cc(cccc2)c2OC1c3ccc(c(OC)c3)OCc4ccccc4)[N+](=O)[O-],0.0
7590,CO-ADD:0223288,15.01,[N+](=O)([O-])c1ccc(cc1)Oc(cc2)ccc2C(=O)Oc(ccc(c3C)C)c3,0.0
7591,CO-ADD:0235437,15.01,n1(c2c(c(cccc3)c13)cccc2)\N=C(/c4c5cccc4)\c6c5cccc6,0.0
7592,CO-ADD:0235347,15.01,n1c(c2ccc(cc2)Cl)n[nH]c1N=Nc(cc3)ccc3O,0.0
7593,CO-ADD:0235438,15.01,n1(\N=C\c2ccccc2)c3c(c(cccc4)c14)cccc3,0.0
7594,CO-ADD:0222991,15.01,[N+](=O)([O-])c1ccccc1C(=O)N\N=C\c(ccc2SCC(=O)Nc(ccc(c34)cccc3)c4)o2,0.0
7595,CO-ADD:0232396,15.0,c1(\C=N\O)c2c([nH]c1C)cccc2,0.0
7596,CO-ADD:0232455,15.0,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C/c3cccs3)OC(c4ccccc4)=O)c1,0.0
7597,CO-ADD:0232435,15.0,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(cccc2OC(=O)c3cccc(F)c3)c2,0.0
7598,CO-ADD:0235385,15.0,N(c1c(C)cc(cc1C)C)(C2=O)C(=O)C(C2C34Br)C(Br)(c(c35)cccc5)c6c4cccc6,0.0
7599,CO-ADD:0235725,15.0,c1(CNC(C)C)c(C)sc(C)c1CNC(C)C.Cl.Cl,0.0
7600,CO-ADD:0235208,15.0,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O)Br,0.0
7601,CO-ADD:0222923,15.0,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc2ccccc2Br,0.0
7602,CO-ADD:0235757,15.0,[N+](=O)([O-])c1ccc(cc1Sc2cccc(cccn3)c23)N4CCCCC4,0.0
7603,CO-ADD:0235584,15.0,C1(=O)C(C(c2ccccc2)C(C#N)C#N)C(=NN1c3ccccc3)C,0.0
7604,CO-ADD:0222930,15.0,C(=O)(Oc(cc1)ccc1OCc2ccccc2)c3cccc(OC)c3,0.0
7605,CO-ADD:0235280,15.0,c(c1ccccc1I)(nnc2c3ccccc3I)o2,0.0
7606,CO-ADD:0223330,15.0,N1C(CCC1=O)C(=O)NCO,0.0
7607,CO-ADD:0235502,15.0,C(=N\c(cc1)ccc1C(N)=O)(/C2=O)\c3c(N2)ccc(C)c3Br,0.0
7608,CO-ADD:0235069,14.99,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
7609,CO-ADD:0222869,14.99,C(=O)(c1ccc(cc1)Br)Nc2cccc(c2)NC(C)=O,0.0
7610,CO-ADD:0235028,14.99,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2C(=O)\C=C\c3ccccc3)c4ccccc4OC,0.0
7611,CO-ADD:0232728,14.99,c1(c(C)cccc1C)NC(COc2ccccc2OCC(=O)Nc3c(C)cccc3C)=O,0.0
7612,CO-ADD:0232145,14.99,N1(c2ccc(cc2)C)C(=O)C(SC1=O)Nc(cc3)ccc3OC,0.0
7613,CO-ADD:0232113,14.99,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
7614,CO-ADD:0232764,14.99,N1(c2cccc(Br)c2)C(=O)C(C3C1=O)C(C=C4)\C(\C34)=C(\C)/C,0.0
7615,CO-ADD:0232289,14.99,c1(C(=O)\C=C\c2ccccc2)cc(c3o1)cccc3,0.0
7616,CO-ADD:0231866,14.99,n1c2c(sc1c3ccc(cc3)\N=C\c(cccc4OC(=O)c(cc(cc5[N+](=O)[O-])[N+](=O)[O-])c5)c4)ccc(C)c2,0.0
7617,CO-ADD:0232138,14.99,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
7618,CO-ADD:0232625,14.98,S1(=O)(=O)c(cccc2)c2C(OCc3ccccc3)=N1,0.0
7619,CO-ADD:0235852,14.98,N(C(C)=O)(C1c2ccccc2)N=C(S1)NC(C)=O,0.0
7620,CO-ADD:0235234,14.98,[N+](=O)([O-])c1ccc(cc1)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
7621,CO-ADD:0232147,14.98,c12c(cc(OC)c(OC)c1)c(cc(O)c2CC(=O)Nc3ccccc3)NCCc(ccc(c4OC)OC)c4,0.0
7622,CO-ADD:0235219,14.98,N(C(=O)\C(\S1)=C/c2cccs2)=C1N(CC3)CCO3,0.0
7623,CO-ADD:0223284,14.98,N(C(C)=O)c1ccc(cc1Cl)\N=C\c2ccc(cc2OC)OC,0.0
7624,CO-ADD:0223026,14.98,C(NCCOc1ccccc1OC)(=O)c2ccc(cc2)Oc3ccccc3,0.0
7625,CO-ADD:0235203,14.98,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O,0.0
7626,CO-ADD:0235838,14.98,c1(ccccc1NC(c2ccccc2)=O)C(OCCCC)=O,0.0
7627,CO-ADD:0235947,14.98,[N+](=O)([O-])c(cccc1C(=O)Nc2cccc(I)c2)c1,0.0
7628,CO-ADD:0232542,14.97,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)NCC(OCC)=O,0.0
7629,CO-ADD:0223280,14.97,C(OCCCCCCCCCC)(=O)c1ccc(cc1)NC(CCC(=O)OCC(c2ccccc2)=O)=O,0.0
7630,CO-ADD:0222879,14.97,C1(\N=C\c(cc2)ccn2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
7631,CO-ADD:0235320,14.97,N1(N=C(CC1(O)C(F)(F)F)C)C(=O)c2ccccc2[N+](=O)[O-],0.0
7632,CO-ADD:0232434,14.97,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc(c5n1)cccc5,0.0
7633,CO-ADD:0235890,14.97,N1(c(cc2)ccc2C(OCCCCCCCC)=O)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
7634,CO-ADD:0235835,14.97,N1(c2cccc(O)c2)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
7635,CO-ADD:0235935,14.97,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
7636,CO-ADD:0235787,14.97,N(=C\c(ccc(c1OC)OC)c1)/NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
7637,CO-ADD:0235780,14.97,c1(cc(O)ccc1O)\C(\C)=N/NC(COc2cccc(C)c2)=O,0.0
7638,CO-ADD:0235889,14.97,N1(c2cc(C)ccc2C)C(=O)C(C(C3c4c5cccc4)C1=O)C5c(c36)cccc6,0.0
7639,CO-ADD:0235015,14.97,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3[N+](=O)[O-])c4c(O)cc(c5c4)cccc5,0.0
7640,CO-ADD:0235834,14.97,C(c1ccccc1)(=O)Nc(cc2)ccc2C(OCCCC)=O,0.0
7641,CO-ADD:0235885,14.97,N1(c2cccc(c2)[N+](=O)[O-])C(=O)C(C(C(c3c4cccc3)c(c56)cccc5)C1=O)C46,0.0
7642,CO-ADD:0235623,14.96,c1(C(=O)N(CC2)CCO2)c(Cl)c(c3s1)ccc(c3)[N+](=O)[O-],0.0
7643,CO-ADD:0222915,14.96,C(=O)(c1cccc(Br)c1)Nc2ccc(cc2C)Br,0.0
7644,CO-ADD:0223347,14.96,c1(SCC(=O)N\N=C\c(ccc(c23)OCO2)c3)sc(c4n1)cccc4,0.0
7645,CO-ADD:0232065,14.96,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(COc3ccccc3C)=O)Br,0.0
7646,CO-ADD:0223038,14.96,c1(SCC(=O)Nc(ccc(c23)cccc2)c3)ccc(\C=N\NC(c(cc4)ccn4)=O)o1,0.0
7647,CO-ADD:0235267,14.96,N1(c2ccc(cc2)C)C(=O)C3C(C(C=C4)C5C(=C(c6ccccc6)CC(C5C7=O)C(N7c8ccc(cc8)C)=O)C34)C1=O,0.0
7648,CO-ADD:0235865,14.96,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c2ccc(cc2)C,0.0
7649,CO-ADD:0235231,14.96,c1(ccc(cc1OC)\C=N\c(cc2)ccc2C)OC(C)=O,0.0
7650,CO-ADD:0223319,14.96,N1(CNc2cc(C)ccc2C)C(=O)CCC1=O,0.0
7651,CO-ADD:0235426,14.96,C(C(OC)=O)(C1c2ccccc2Cl)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
7652,CO-ADD:0235703,14.96,S(=O)(=O)(Cc1ccccc1)c2cccc3c2cccc3S(=O)(=O)Cc4ccccc4,0.0
7653,CO-ADD:0232662,14.95,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
7654,CO-ADD:0235464,14.95,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c3ccccc3)c4nonc4N,0.0
7655,CO-ADD:0235414,14.95,c(C(=O)Nc1ccc(cn1)C)(sc(c23)nc(cc2C(F)(F)F)C)c3N,0.0
7656,CO-ADD:0235217,14.95,N1(c2ccc(cc2)OC)C(=O)c(c3C1=O)ccc(c3)C(=O)OCC(c4ccccc4)=O,0.0
7657,CO-ADD:0235032,14.95,C(=O)(c1ccc(cc1)Cl)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(=O)\C=C\c4ccccc4,0.0
7658,CO-ADD:0235760,14.95,n(c1c2cccc1)c(c3ccc(cc3)OC(CCCCCC)=O)cn2,0.0
7659,CO-ADD:0223351,14.95,N1(c(cc2)ccc2S(=O)(=O)Nc(cc3)ccc3Cl)C(=O)c(c4)c(c(c5)C1=O)c(cc4[N+](=O)[O-])cc5[N+](=O)[O-],0.0
7660,CO-ADD:0232703,14.95,C1(C(=O)OCc2ccccc2)=C(C)NC(=O)NC1c3ccc(cc3)OCCC,0.0
7661,CO-ADD:0235368,14.95,C(C#N)(C1c2ccc(cc2)Br)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
7662,CO-ADD:0235753,14.95,C(C#N)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
7663,CO-ADD:0235392,14.95,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2C(OC)=O)\C(N1c3ccccc3)=O,0.0
7664,CO-ADD:0235225,14.94,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
7665,CO-ADD:0235218,14.94,N1(c(cc2)cc(c2C(OC)=O)O)C(=O)c3c(cccc3)C1=O,0.0
7666,CO-ADD:0222972,14.94,c1(ccccc1Br)C(=O)NCc(cc2)ccc2C(C)(C)C,0.0
7667,CO-ADD:0235714,14.94,c1(NC(=O)\C=C/C(O)=O)sc(c(C)c1C#N)C,0.0
7668,CO-ADD:0232652,14.94,C(C(OC)=O)(=C(C)NC(=C1C(OC)=O)C)C1c2ccco2,0.0
7669,CO-ADD:0232406,14.94,C(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3ccccc3,0.0
7670,CO-ADD:0235026,14.94,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2N=Nc3ccccc3,0.0
7671,CO-ADD:0222892,14.94,[N+](=O)([O-])c1ccc(cc1)\C=N\c2ccccn2,0.0
7672,CO-ADD:0231973,14.94,N1(Cc2ccccc2)C(=O)C(C3C1=O)C(c4ccccc4)(C(C35c6ccccc6)=O)C(=C5c7ccccc7)c8ccccc8,0.0
7673,CO-ADD:0232706,14.94,c1(\C(\CCC2)=N\NC(=S)Nc3ccccc3)c2c4c(ccc(C5CCCCC5)c4)[nH]1,0.0
7674,CO-ADD:0232712,14.94,n1(CC)c2c(c3c1\C(\CCC3)=N\O)cc(Cl)cc2,0.0
7675,CO-ADD:0232707,14.94,C(/SC=C1c2ccc(cc2)Br)(=N\C(c3ccccc3)=O)\N1c4ccc(c(C)c4)C,0.0
7676,CO-ADD:0232759,14.94,c1(C#N)c(c(cccn2)c2)c3c(nc1N)CCCCCC3,0.0
7677,CO-ADD:0231859,14.93,c1(OCC(=O)N\N=C\c(cc2)ccc2OCc3ccccc3)c(OC)cc(cc1Br)Br,0.0
7678,CO-ADD:0232077,14.93,C(=O)(N\N=C\c(cc1)cc(c1OC(=O)c2ccc(cc2)Br)OCC)C(O)(c3ccccc3)c4ccccc4,0.0
7679,CO-ADD:0222961,14.93,C(=O)(c1ccccc1C)Oc2ccc(c3c2\C=N\NC(=O)c4ccc(cc4)Br)cccc3,0.0
7680,CO-ADD:0235095,14.93,C(=O)(Oc1cccc(c1)\C=N\NC(CNc2ccccc2C)=O)c3ccccc3Br,0.0
7681,CO-ADD:0223334,14.93,N1(c2ccc(cc2)O)C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
7682,CO-ADD:0235768,14.93,N1(c2ccc(cc2C)C)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
7683,CO-ADD:0230785,14.93,c1(ccc(cc1O)OCC=C)\C=N\c(cc2)ccc2OC,0.0
7684,CO-ADD:0232566,14.93,C(=O)(c1cccs1)Nc2ccccc2C#N,0.0
7685,CO-ADD:0235486,14.93,N1(CCc2ccccc2)C(=O)CC(NCc3ccco3)C1=O,0.0
7686,CO-ADD:0235864,14.93,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)\C=C\c2ccccc2,0.0
7687,CO-ADD:0223290,14.93,N#CC(c1ccccc1)c2ccccc2,0.0
7688,CO-ADD:0232771,14.93,N1(c(cc2)ccn2)C(=O)C(C3C1=O)C(C=C4)C5(C34)CC5,0.0
7689,CO-ADD:0232319,14.93,c1(N\N=C/c(cc2)ccc2[N+](C)(C)C)c(Cl)c(Cl)c(c(Cl)n1)C#N.[I-],0.0
7690,CO-ADD:0232795,14.93,C1(c2cccc(cccc3)c23)N(CCN1Cc4ccccc4)Cc5ccccc5,0.0
7691,CO-ADD:0232327,14.93,C1(O)=C(c2ccc(cc2)OC)Oc(cccc3)c3C1=O,0.0
7692,CO-ADD:0232087,14.92,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc2ccccc2C)=O)c3ccccc3Cl,0.0
7693,CO-ADD:0232067,14.92,c1(c(O)c(\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
7694,CO-ADD:0235962,14.92,c1(ccc(cc1Cl)Cl)C(=O)Oc2ccccc2\C=N\c(cc3)ccc3Cl,0.0
7695,CO-ADD:0231957,14.92,c(\C=N\c(cccc1C(F)(F)F)c1)(c(C)c2Cl)c(O)c(c2C)Br,0.0
7696,CO-ADD:0232752,14.92,c1(C#N)c(c2ccc(cc2)C)cc(nc1SCCSCc(cc3)ccc3Cl)c4ccccc4,0.0
7697,CO-ADD:0232733,14.92,S(=O)(=O)(c1ccc(c(OCCC)c1)OCCC)Nc2c(F)cc(cc2F)Br,0.0
7698,CO-ADD:0232769,14.92,N1(c2c(C)cc(cc2C)C)C(=O)C(C(C34)C1=O)C(CC3=O)c(c45)cccc5,0.0
7699,CO-ADD:0232328,14.92,C(=C/c(c1c([nH]2)cccc1)c2)(/C(=O)OC(O3)(C)C)\C3=O,0.0
7700,CO-ADD:0232632,14.92,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccccc4OCc(cc5)ccc5Cl,0.0
7701,CO-ADD:0232085,14.92,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(=O)C(O)c3ccccc3,0.0
7702,CO-ADD:0223346,14.92,C(/C#N)(\C(=O)Nc(ccc(c1C)C)c1)=C/c2c3c(cccc3)cc(cccc4)c24,0.0
7703,CO-ADD:0235776,14.92,c1(SCCN2CCCCC2)[nH]c(c3n1)cccc3.Cl,0.0
7704,CO-ADD:0235736,14.92,N1(c2ccc(cc2)OCCC)C(=O)CC(N3CCCCC3)C1=O,0.0
7705,CO-ADD:0235210,14.92,N(=C\c(cc1)ccc1OCc2ccccc2)/c3cc(C)ccc3O,0.0
7706,CO-ADD:0232380,14.91,N1(\N=C(\C=C2)/C=CC2=O)C(=O)c3c(cccc3)C1=O.CC(=O)O,0.0
7707,CO-ADD:0232659,14.91,P(c1ccccc1)(c2ccccc2)(c3ccccc3)=Nc(cc4)ccc4F,0.0
7708,CO-ADD:0235755,14.91,c1(NC(=O)c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2)n(c3ccccc3)ncc1C(OCC)=O,0.0
7709,CO-ADD:0232681,14.91,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3F,0.0
7710,CO-ADD:0235337,14.91,C12(CCCCCC1)Sc(c3N2)cccc3,0.0
7711,CO-ADD:0230729,14.91,c1(ccccc1NC(=O)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O)C(OC)=O,0.0
7712,CO-ADD:0222912,14.91,C(=O)(OCC(=O)c1ccc(cc1)Br)\C=C\c(cc2)ccc2Cl,0.0
7713,CO-ADD:0235415,14.91,c1(C#N)c(SCC(=O)Nc2ccccn2)nc(cc1C(F)(F)F)c3cccs3,0.0
7714,CO-ADD:0230011,14.91,c1(cc(C)nc2n1ncn2)C(F)(F)F,0.0
7715,CO-ADD:0228294,14.91,N1(C(c2ccc(cc2)OC)CC(c3ccc(cc3)OC)=N1)c4scc(c5ccc(cc5)I)n4.Br,0.0
7716,CO-ADD:0228698,14.9,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)S\C(\NCC)=N\CC,0.0
7717,CO-ADD:0228928,14.9,C(F)(F)(C(Cl)(F)F)C(F)(F)C(=O)NC(CCCC)C(O)=O,0.0
7718,CO-ADD:0228939,14.9,n1c2c(cccc2)ccc1c3ccccc3C,0.0
7719,CO-ADD:0228884,14.9,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C/c(cc(I)cc4I)c4O,0.0
7720,CO-ADD:0228178,14.9,S1(=O)(=O)c(cccc2)c2C(Nc(c(C)ccc3[N+](=O)[O-])c3)=N1,0.0
7721,CO-ADD:0230560,14.9,[N+](=O)([O-])c(cccc1C(=O)Nc(cc2)ccc2CC)c1,0.0
7722,CO-ADD:0230474,14.9,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c2c3c(cccc3)cc(cccc4)c24)nc5Nc(cc6)ccc6[N+](=O)[O-])n5,0.0
7723,CO-ADD:0230428,14.9,C(=C\c(cc1)ccc1F)/C(=O)c(ccc(c23)OCCO2)c3,0.0
7724,CO-ADD:0223125,14.9,c1(cc(\C=N\NC(COc2ccccc2[N+](=O)[O-])=O)cc(OC)c1O)[N+](=O)[O-],0.0
7725,CO-ADD:0230290,14.9,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)C)CC(=O)N\N=C\c(ccc(c3OCC)OCC=C)c3,0.0
7726,CO-ADD:0230164,14.9,N(c1ccccc1C)C(=O)\C=C\c(ccc(c2OC)OC)c2,0.0
7727,CO-ADD:0230166,14.9,C(c1ccccc1)(=O)NC(c2ccccc2)CC(=O)OCC(=O)c3ccc(cc3)Br,0.0
7728,CO-ADD:0229976,14.9,C1(C(=O)Oc(cc2)ccc2[N+](=O)[O-])CC1c3ccccc3,0.0
7729,CO-ADD:0228941,14.89,n1c2c(cccc2)ccc1c3ccc(cc3C)C,0.0
7730,CO-ADD:0228283,14.89,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)OC(c5cccs5)O1,0.0
7731,CO-ADD:0230624,14.89,c1(c2ccccc2)[nH]c(c3c1C=O)cccc3,0.0
7732,CO-ADD:0232211,14.89,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C\c4c(O)c(OC)cc(Br)c4Br,0.0
7733,CO-ADD:0228901,14.89,S(NCCCCCCCCCCCCCCCCCC)(=O)(=O)c1ccc(cc1)CCCl,0.0
7734,CO-ADD:0223612,14.89,c1(c(C)cc(c(C=O)c1C)C)Cc2c(C)cc(c(C=O)c2C)C,0.0
7735,CO-ADD:0235516,14.89,c1(C#N)c2c(sc1\N=C\c3cc(Br)cc(Br)c3OCc4ccc(cc4Cl)Cl)CCCC2,0.0
7736,CO-ADD:0228706,14.89,n1c(csc1Nc2cccc(cccc3)c23)c4cc(C)ccc4C.Br,0.0
7737,CO-ADD:0228286,14.89,S(c1ccccc1)(=O)(=O)N(CC(NCCCNC(=O)CN(c2c(OC)ccc(Cl)c2)S(c3ccccc3)(=O)=O)=O)c4c(OC)ccc(Cl)c4,0.0
7738,CO-ADD:0228383,14.89,C1(=Cc2c(OC1=O)cccc2)c3csc(N\N=C(\C)/C)n3,0.0
7739,CO-ADD:0230306,14.88,c1(c(cccn2)c2)[nH]c(c(c3)n1)ccc3[N+](=O)[O-],0.0
7740,CO-ADD:0232180,14.88,c1(\C=N\c(ccc(c2Cl)Cl)c2)c(O)c(OC)cc(Br)c1Br,0.0
7741,CO-ADD:0230252,14.88,c1(OC)cc(OC)ccc1\C=N\NC(CCCCCCC)=O,0.0
7742,CO-ADD:0228841,14.88,C(C(C)SCc1ccccc1)(=O)N\N=C\c2cccc(Br)c2,0.0
7743,CO-ADD:0230625,14.88,N(/Nc1ccccc1)=C(/C)\c2ccccn2,0.0
7744,CO-ADD:0228590,14.88,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3Cc4ccccc4)C1=O,0.0
7745,CO-ADD:0228240,14.88,C(=C/c(ccc(c1OC)OC)c1)(/C(=O)NN2c3ccc(cc3)Cl)\C2=O,0.0
7746,CO-ADD:0235772,14.88,c1(cc(c(cc1[N+](=O)[O-])n2)nc(c2Nc3cccc(Cl)c3)OCC)[N+](=O)[O-],0.0
7747,CO-ADD:0232334,14.88,c1(SCCC)[nH]c(c2n1)cccc2,0.0
7748,CO-ADD:0232618,14.88,S(c1ccccc1)(=O)(=O)Oc(cc2)ccc2C3C4=C(CC(C)(C)CC4=O)NC(CC(C)(C)CC5=O)=C35,0.0
7749,CO-ADD:0230796,14.88,C(=O)(Nc(ccc(c12)cccc1)c2)C\C(\C)=N\NC(COc3ccccc3C)=O,0.0
7750,CO-ADD:0230787,14.88,N(/c1ccc(cc1C)C)=C\c2ccc(cc2O)OCC=C,0.0
7751,CO-ADD:0231930,14.88,N(=C(/C)\c1ccc(cc1)Cl)/NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
7752,CO-ADD:0230216,14.88,N(=C(\CCC)/c1ccccc1)/NC(=O)c2ccc(cc2)OCCCCCCCCCC,0.0
7753,CO-ADD:0229959,14.88,c1(SSc2nc(C)cc(COC)c2C#N)nc(C)cc(COC)c1C#N,0.0
7754,CO-ADD:0235391,14.88,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1\N=C\c3ccc(I)s3,0.0
7755,CO-ADD:0223226,14.87,c1(c(O)c(\C=N\NC(CNc2ccccc2C)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
7756,CO-ADD:0228973,14.87,C(COc(cc1)ccc1C)(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
7757,CO-ADD:0228940,14.87,n1c2c(cccc2)ccc1c3cc(C)ccc3C,0.0
7758,CO-ADD:0223603,14.87,C1(Nc(cc2)ccc2N=Nc3ccccc3)OC(CO)C(C(O)C1O)O,0.0
7759,CO-ADD:0231875,14.87,c1(c2cccc(F)c2)oc3c(ccc(c3)\N=C\c4cc(Cl)ccc4O)n1,0.0
7760,CO-ADD:0223062,14.87,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C(\C2)/CCCC2)c3cc(C)ccc3C,0.0
7761,CO-ADD:0232227,14.87,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(cc4)ccc4Cl,0.0
7762,CO-ADD:0230063,14.87,C(O)(=O)C(c1ccccc1)c2ccccc2.NC3CCCCC3,0.0
7763,CO-ADD:0230069,14.87,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc(cc2)ccc2c3cnc(c4n3)cccc4,0.0
7764,CO-ADD:0223321,14.87,n1c2c(cccc2)ncc1c3cccc(c3)OC(=O)c4ccco4,0.0
7765,CO-ADD:0232603,14.87,C1(C(OCCOC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCc3ccccc3,0.0
7766,CO-ADD:0232155,14.87,n(C)(c1c(c2\C=C\[N+](=O)[O-])cccc1)c2,0.0
7767,CO-ADD:0235292,14.86,c1(C(F)(F)F)nc(sc1c2ccc(cc2)F)\N=C\c(cc3)ccc3OC,0.0
7768,CO-ADD:0230790,14.86,c1(ccc(cc1O)OCC=C)\C=N\c(ccc(c2Cl)Cl)c2,0.0
7769,CO-ADD:0223308,14.86,[N+](=O)([O-])c1ccc(cc1)COC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
7770,CO-ADD:0228036,14.86,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O,0.0
7771,CO-ADD:0230339,14.86,C(/c1c(N2)cccc1)(=N\c3c(C)ccc(Cl)c3)\C2=O,0.0
7772,CO-ADD:0228182,14.86,S1(=O)(=O)c2c(C(Nc3ccccc3Cl)=N1)ccc(c2)[N+](=O)[O-],0.0
7773,CO-ADD:0228148,14.86,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c2ccc(cc2O)O,0.0
7774,CO-ADD:0228128,14.86,C(CNc1ccc(cc1Br)Br)(=O)N\N=C(/C2)\CCCC2,0.0
7775,CO-ADD:0230072,14.86,c1(cc(C)ccc1C)CNC(C)=O,0.0
7776,CO-ADD:0226980,14.86,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(CC(NCCC(C)C)=O)C1=O,0.0
7777,CO-ADD:0225328,14.86,C1(=N2)N(C=Cn(nc(c3cc(C)ccc3C)c4)c14)C(N2CC(=O)Nc5ccc(cc5OC)OC)=O,0.0
7778,CO-ADD:0226416,14.86,C1(=N2)N(C=CN(c3ccccc3)C1=O)C(N2Cc4c(cccc4Cl)F)=O,0.0
7779,CO-ADD:0226440,14.85,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCc4cccc(OC)c4,0.0
7780,CO-ADD:0226423,14.85,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCc(cc4)ccc4Cl,0.0
7781,CO-ADD:0227007,14.85,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc5cc(OC)cc(OC)c5,0.0
7782,CO-ADD:0225503,14.85,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5cc(OC)cc(OC)c5)=O,0.0
7783,CO-ADD:0225518,14.85,c12n(ccn(c(nn3)CCC(=O)NCc(ccc(c4OC)OC)c4)c13)nc(c5ccc(cc5)Cl)c2,0.0
7784,CO-ADD:0225614,14.85,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc(cccc4C(OC)=O)c4)=O,0.0
7785,CO-ADD:0217863,14.85,c1(sccn1)NC(=O)CN(CC2)CCN2Cc3ccccc3,0.0
7786,CO-ADD:0217887,14.85,c1(c2ccc(cc2Cl)Cl)[nH]c3c(ccc(c3)\N=C\c(cc4)ccc4OC)n1,0.0
7787,CO-ADD:0218463,14.85,[N+](=O)([O-])c1cccc(c1)\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O,0.0
7788,CO-ADD:0217895,14.85,N1(CCCC1=O)c2cccc(N)c2,0.0
7789,CO-ADD:0217967,14.85,C(=N\c(cccn1)c1)(/c2c(N3)ccc(Br)c2)\C3=O,0.0
7790,CO-ADD:0218519,14.85,C(=O)(N\N=C\c(cc1)ccc1F)C(=O)Nc2cccc(C)c2C,0.0
7791,CO-ADD:0226720,14.85,C1(=NN(C2=O)CC(=O)Nc(ccc(c34)OCO3)c4)N2c(c5C(=O)N1Cc6ccccc6)cccc5,0.0
7792,CO-ADD:0165975,14.85,c(c(Br)c(C)cc1OCC(=O)N\N=C(/C)\CC(NCCC)=O)c1Br,0.0
7793,CO-ADD:0166007,14.85,c1(OC)c(OC)cc(cc1OC)\C=N\NC(=O)CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
7794,CO-ADD:0165987,14.85,C(=O)(N\N=C\c(cc1)ccc1OC)c2ccc(cc2)COc(cc3)ccc3C,0.0
7795,CO-ADD:0165936,14.85,C(=C\c(cc1)ccc1[N+](=O)[O-])(/C(=O)N\N=C/c(cc2)ccc2OC(=O)c3ccc(cc3)OC)\C(=O)N\N=C\c(cc4)ccc4OC(=O)c5ccc(cc5)OC,0.0
7796,CO-ADD:0166113,14.85,c1(O)c(I)cc(cc1I)\C=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
7797,CO-ADD:0166415,14.85,C(F)(F)(C(F)(F)COc1ccc(cc1NC(=O)c(cccc2[N+](=O)[O-])c2)C(F)(F)F)C(F)(F)C(F)F,0.0
7798,CO-ADD:0166356,14.84,C(=O)(C(NCCc(cc1)ccc1F)=O)Nc2ccc(cc2C)C,0.0
7799,CO-ADD:0166398,14.84,N1(CN2CCC(CC2)Cc3ccccc3)c(cccc4)c4\C(=N\c(cc5)ccc5Cl)\C1=O,0.0
7800,CO-ADD:0166507,14.84,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)c2ccc(cc2)OCc3ccccc3,0.0
7801,CO-ADD:0166211,14.84,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(COc2c(C)cccc2C)=O)c1,0.0
7802,CO-ADD:0166526,14.84,C(=O)(N\N=C\c1cc(Br)ccc1O)C(=O)Nc2cc(C)ccc2C,0.0
7803,CO-ADD:0215411,14.84,c(C#N)(c1c2ccccc2)c(SCc(cc3)ccc3C(C)(C)C)nc(N)c1C#N,0.0
7804,CO-ADD:0215446,14.84,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)N\N=C(/C4)\CCCCC4,0.0
7805,CO-ADD:0214966,14.84,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1c2ccccc2)C(NCCO)=O,0.0
7806,CO-ADD:0215519,14.84,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2C#N)c3ccccc3OC,0.0
7807,CO-ADD:0215514,14.84,C(=O)(NC(C)C)CC(=O)N\N=C\c(cc1)ccc1C(O)=O,0.0
7808,CO-ADD:0215562,14.84,C(=O)(c1ccc(cc1)OC)Oc2cc(ccc2\C=N\c3ccccc3I)OC(=O)c4ccc(cc4)OC,0.0
7809,CO-ADD:0215586,14.84,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2cccc(c2)\C=N\NC(=O)c(cc3)ccc3[N+](=O)[O-])c1,0.0
7810,CO-ADD:0214903,14.83,N1(c(cc2)ccc2S(=O)(=O)Nc(cc3)ccc3CC)C(=O)c(c4)c(c(c5)C1=O)c(cc4[N+](=O)[O-])cc5[N+](=O)[O-],0.0
7811,CO-ADD:0215422,14.83,C(\C(\CCC1)=C\c(ccs2)c2)(O3)=C1C(C(C#N)=C3N)c(ccs4)c4,0.0
7812,CO-ADD:0215096,14.83,C(=C\Nc1ccccc1I)(/C2=O)\C(=O)NC(=S)N2,0.0
7813,CO-ADD:0215684,14.83,c1(c2ccc(cc2)NC(CC)=O)ncc(cn1)c3ccc(cc3)NC(CC)=O,0.0
7814,CO-ADD:0215352,14.83,C1(C#N)(C#N)[C@@H](c2ccc(cc2)Cl)[C@]([H])(C3)C(C(C#N)=C1N)=CCS3,0.0
7815,CO-ADD:0215121,14.83,c1(nonc1N)N(CC(=O)N\N=C\c2ccccc2)N=Nc3nonc3N,0.0
7816,CO-ADD:0215161,14.83,C1(C#N)(C#N)[C@H](c2ccc(c(OC)c2)OC)[C@H](N3[C@]1([H])C=Cc(c34)cc(cc4)Cl)C(=O)c5ccc(cc5)C,0.0
7817,CO-ADD:0215730,14.83,c1(C#N)c(C)c(sc1\N=C\c2ccccc2O)C,0.0
7818,CO-ADD:0215346,14.83,C(C(OCCOC)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)OC(CCCC3=O)=C13,0.0
7819,CO-ADD:0215082,14.83,c1(cc(Cl)cc(Cl)c1OCC(=O)N\N=C\c(c(O)ccc2[N+](=O)[O-])c2)[N+](=O)[O-],0.0
7820,CO-ADD:0215122,14.83,c1(nonc1N)N(CC(=O)N\N=C\c(cc2)ccc2N(C)C)N=Nc3nonc3N,0.0
7821,CO-ADD:0215130,14.83,c1(nonc1N)N(CC(=O)N\N=C\c2ccccc2Cl)N=Nc3nonc3N,0.0
7822,CO-ADD:0214927,14.83,C(=O)(N\N=C\c1cccc(Br)c1)c2ccc(cc2)NC(CC)=O,0.0
7823,CO-ADD:0215639,14.83,C(F)(F)(F)c1ccccc1\C=N\NC(=O)CCSc(cc2)ccc2Cl,0.0
7824,CO-ADD:0214967,14.83,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\NC(=O)c3ccc(cc3)O,0.0
7825,CO-ADD:0166630,14.83,N(/CCc1ccccc1)=C\c(cc2)ccc2O,0.0
7826,CO-ADD:0215291,14.82,N1(N=CC(=NC1=O)N)C2OC(C(O)C2O)CO,0.0
7827,CO-ADD:0215307,14.82,C1(C2c3cccc(OC)c3)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
7828,CO-ADD:0166598,14.82,C1(C(=O)Nc(ccc(c23)cccc2)c3)CC14CCC4,0.0
7829,CO-ADD:0215496,14.82,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\c3ccccc3C,0.0
7830,CO-ADD:0215400,14.82,N12C(S\C(=C/c(ccs3)c3)\C1=O)=C(C(c(ccs4)c4)C(C#N)=C2N)C#N,0.0
7831,CO-ADD:0166672,14.82,c1(NC(CSc2nc(C)c(c(C)c2C#N)C)=O)sc(c3n1)cccc3,0.0
7832,CO-ADD:0166556,14.82,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2cc(C)ccc2C,0.0
7833,CO-ADD:0166594,14.82,C(COc(cc1)ccc1C(C)C)(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
7834,CO-ADD:0165848,14.82,[C@@H]1(C[C@@H]2S(=O)\N=C\c(cc(Br)cc3)c3O)[C@@H](C1(C)C)C[C@H]2C,0.0
7835,CO-ADD:0215444,14.82,C(Oc(cccc1C(=O)Nc(cc2)ccc2Cl)c1)(=S)Nc(cc3)ccc3Cl,0.0
7836,CO-ADD:0214892,14.82,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)N4CCCCC4)n2,0.0
7837,CO-ADD:0215620,14.81,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(cccc2C(F)(F)F)c2,0.0
7838,CO-ADD:0215440,14.81,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2C(C)C)CC(=O)N\N=C\c(c(OC)ccc3[N+](=O)[O-])c3,0.0
7839,CO-ADD:0166346,14.81,c1(NNC(C)=O)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
7840,CO-ADD:0166372,14.81,C(CSCc1ccccc1C)(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
7841,CO-ADD:0166323,14.81,C(OC)(COc(cc1)ccc1C=O)=O,0.0
7842,CO-ADD:0166133,14.81,c1(ccc(\C=N\NC(CNC(=O)c2cccc(F)c2)=O)o1)c3ccc(cc3Cl)Cl,0.0
7843,CO-ADD:0166150,14.81,c1(ccc(C(=O)Oc2ccc(cc2\C=N\NC(=O)\C(=C/c(ccc(c34)OCO3)c4)\NC(c5ccccc5)=O)Br)o1)[N+](=O)[O-],0.0
7844,CO-ADD:0166227,14.81,C(COc1c(C)cccc1C)(=O)N\N=C(/C)\C=C\c2ccccc2,0.0
7845,CO-ADD:0166533,14.81,C(=O)(N\N=C\c(cc1)ccc1C#N)c2ccccn2,0.0
7846,CO-ADD:0166476,14.81,c1(ccc(\C=N\NC(CCCCCCC)=O)o1)Sc2ccccn2,0.0
7847,CO-ADD:0165894,14.81,C(=O)(C\C(\C)=N\NC(COc(ccc(c1C)Br)c1)=O)Nc2ccccc2Br,0.0
7848,CO-ADD:0166752,14.81,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\NNC(=O)c3cccc(Br)c3,0.0
7849,CO-ADD:0165853,14.81,[C@@H]1(C[C@@H]2S(=O)\N=C\c(cccc3)c3O)[C@@H](C1(C)C)C[C@H]2C,0.0
7850,CO-ADD:0166222,14.81,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(cc2)ccc2F,0.0
7851,CO-ADD:0166726,14.81,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c3ccccc3F,0.0
7852,CO-ADD:0165946,14.81,C(Oc(cccc1C(=O)Nc(ccc(c2C)C)c2)c1)(=S)NC(C)c3ccccc3,0.0
7853,CO-ADD:0166711,14.81,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c(cc2)ccc2C(C)C,0.0
7854,CO-ADD:0215600,14.8,c1(\N=C\c(cc2)ccc2OC(c3ccccc3)=O)n(c4ccccc4)nc(C)c1c5cccc(Br)c5,0.0
7855,CO-ADD:0166111,14.8,c1(O)c(Br)cc(cc1Br)\C=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
7856,CO-ADD:0166777,14.8,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc4ccccc4C,0.0
7857,CO-ADD:0166475,14.8,N(=C\c1ccccc1OCc2ccccc2Cl)/NC(CCCCC(NCCCC)=O)=O,0.0
7858,CO-ADD:0165985,14.8,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)c2ccc(cc2)COc(cc3)ccc3C,0.0
7859,CO-ADD:0166788,14.8,c1(ncnc2N\N=C\c3ccc(cc3O)OCC)c2c4c(CCCC4)s1,0.0
7860,CO-ADD:0166687,14.8,C(C(OCC)=O)(=C(CSc1nc(CC)c(cc1C#N)C)OC(=C2C#N)N)C2c3cccs3,0.0
7861,CO-ADD:0166446,14.8,C(F)(F)(C(F)(F)COc1ccccc1\N=C\c(cc(Br)cc2[N+](=O)[O-])c2O)C(F)(F)C(F)F,0.0
7862,CO-ADD:0166438,14.8,C(F)(F)(C(F)(F)COc(cc1)c(cc1C(F)(F)F)\N=C\c(cc(Br)cc2[N+](=O)[O-])c2O)C(F)(F)C(F)F,0.0
7863,CO-ADD:0165955,14.8,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
7864,CO-ADD:0166768,14.8,N1(c2ccc(cc2)OCCCC)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\c3ccc(cc3)OC,0.0
7865,CO-ADD:0166135,14.8,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
7866,CO-ADD:0166106,14.8,c1(Br)c(O)c(\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c(c(Br)c1O)C,0.0
7867,CO-ADD:0166237,14.8,c1(cc(\C=N\NC(COc2cc(C)ccc2C(C)C)=O)cc(OC)c1O)[N+](=O)[O-],0.0
7868,CO-ADD:0166775,14.79,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)SC(N\N=C\c(ccc(c3O)O)c3)=N,0.0
7869,CO-ADD:0166130,14.79,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(ccc(c2OCC)O)c2,0.0
7870,CO-ADD:0165990,14.79,C(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\c(ccc(c3C)C)c3,0.0
7871,CO-ADD:0166407,14.79,c1(N(c2ccc(cc2)Cl)C(=O)c3ccc(cc3)OC)sc(c(c4ccc(cc4)OC)n1)c5ccccc5,0.0
7872,CO-ADD:0166345,14.79,N1(c2cccc(I)c2)C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
7873,CO-ADD:0166429,14.79,C(COc(cc1)ccc1CC)(=O)Nc(cc2)ccc2OCCCCC,0.0
7874,CO-ADD:0166238,14.79,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(COc(cc2)ccc2Cl)=O)c1,0.0
7875,CO-ADD:0166660,14.79,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)OCc3ccccc3,0.0
7876,CO-ADD:0166185,14.79,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
7877,CO-ADD:0166219,14.79,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNC(=O)c2ccco2)=O)O)c1,0.0
7878,CO-ADD:0166024,14.79,C(N(CCC)CCC)(=S)Oc(cccc1C(=O)Nc(cc2)ccc2C)c1,0.0
7879,CO-ADD:0166366,14.79,C(Oc(cccc1C(=O)Nc(cc2)ccc2OCC)c1)(=S)Nc(cc3)ccc3OCC,0.0
7880,CO-ADD:0166209,14.79,c1(c(C)cccc1C)OCC(=O)N\N=C\c2ccc(cc2O)O,0.0
7881,CO-ADD:0165883,14.79,C(=O)(Nc(cc1)ccc1Cl)C\C(\C)=N\NC(=O)c2ccc(cc2)NC(C)=O,0.0
7882,CO-ADD:0166097,14.79,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(=O)Cc2cccc(cccc3)c23)c1,0.0
7883,CO-ADD:0225449,14.79,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)NCc(cc5)ccc5Cl)=O,0.0
7884,CO-ADD:0225649,14.79,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc(cc4)ccc4OC)=O,0.0
7885,CO-ADD:0225665,14.79,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)N(CC4)CCN4c5ccc(cc5)OC)=O,0.0
7886,CO-ADD:0226777,14.78,c1(C2=O)n(c(nn1)CCC)c3c(cccc3)N2CC(=O)Nc(cc4)ccc4C#N,0.0
7887,CO-ADD:0227016,14.78,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)NCc5ccccc5Cl,0.0
7888,CO-ADD:0226448,14.78,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4cccc(Cl)c4,0.0
7889,CO-ADD:0226307,14.78,N1(C2=O)C(C=C(N=C1Nc3ccccc3C)C)=NN2CC(=O)Nc4ccc(cc4Cl)F,0.0
7890,CO-ADD:0226439,14.78,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCC(=O)c4ccc(cc4C)C,0.0
7891,CO-ADD:0225662,14.78,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc4ccc(cc4Cl)C)=O,0.0
7892,CO-ADD:0218005,14.78,[N+](=O)([O-])c1ccc(cc1OC)N2CCCC2,0.0
7893,CO-ADD:0217870,14.78,c1(c(C)non1)C(=O)N\N=C\c2cccc(CC=C)c2O,0.0
7894,CO-ADD:0217934,14.78,c1(sc(n2)N)c2CC(C)(C)CC1=O,0.0
7895,CO-ADD:0226719,14.78,N1(c(ccs2)c2C(N3Cc(cc4)ccc4CC)=O)C3=NN(Cc5c(cccc5Cl)F)C1=O,0.0
7896,CO-ADD:0225711,14.78,C1(=N2)N(C=Nc3c1sc(n3)N4CCCC4)C(N2CC(=O)Nc5ccccc5Cl)=O,0.0
7897,CO-ADD:0225708,14.78,C1(=N2)N(C=CN=C1Oc3ccccc3Cl)C(N2CC(=O)Nc(ccc(c4F)C)c4)=O,0.0
7898,CO-ADD:0226780,14.78,c1(C2=O)n(c(nn1)CCC)c3c(cccc3)N2CC(=O)Nc(ccc(c45)OCCO4)c5,0.0
7899,CO-ADD:0226994,14.78,N1(c(ccs2)c2C(N3CCCC)=O)C3=NN(CC(=O)NC(C)C)C1=O,0.0
7900,CO-ADD:0226211,14.77,S(=O)(=O)(N(c1ccc(cc1)C)Cc2ccccc2F)c(ccc(n3c4)nn4)c3,0.0
7901,CO-ADD:0226409,14.77,C1(=NN(C2=O)Cc3cc(C)ccc3C)N2C=CN(c4ccc(c(Cl)c4)OC)C1=O,0.0
7902,CO-ADD:0226985,14.77,N1(c(ccs2)c2C(N3Cc4ccco4)=O)C3=NN(CC(=O)NC(C)C)C1=O,0.0
7903,CO-ADD:0226417,14.77,C1(=NN(C2=O)Cc(cc3)ccc3[N+](=O)[O-])N2C=CN(c4ccccc4)C1=O,0.0
7904,CO-ADD:0225289,14.77,N12C(C=CC(S(=O)(=O)C(C)(C)C)=N1)=NN(CC(=O)N3CCOc(ccc(C)c4)c34)C2=O,0.0
7905,CO-ADD:0226214,14.77,S(=O)(=O)(N(c1ccc(cc1)C)Cc(ccc2C(OC)=O)o2)c(ccc3n4c(C)nn3)c4,0.0
7906,CO-ADD:0225303,14.77,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)N4CCOc(ccc(C)c5)c45)C2=O,0.0
7907,CO-ADD:0225472,14.77,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc(cc5)ccc5C(OC)=O)=O,0.0
7908,CO-ADD:0226782,14.77,c1(C2=O)n(c(nn1)CCC)c3c(cccc3)N2CC(=O)Nc(cc4)ccc4CCCC,0.0
7909,CO-ADD:0226458,14.77,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCc4cccc(F)c4,0.0
7910,CO-ADD:0226306,14.77,N1(C2=O)C(C=C(N=C1Nc3ccccc3C)C)=NN2CC(=O)Nc4cc(F)cc(F)c4,0.0
7911,CO-ADD:0226773,14.76,c1(C2=O)n(c(nn1)CCC)c3c(cccc3)N2CC(=O)Nc(cc4)ccc4Br,0.0
7912,CO-ADD:0226754,14.76,c12n(ccn(nc(c3ccc(cc3)C)c4)c14)c(nn2)SCC(=O)NCc5ccccc5OC,0.0
7913,CO-ADD:0226420,14.76,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc(cc4)ccc4C(C)C,0.0
7914,CO-ADD:0226649,14.76,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4ccccc4F,0.0
7915,CO-ADD:0226693,14.76,N1(c2c(ccc(c2)C(=O)NC3CCCC3)C(N4CCC(C)C)=O)C4=NN(CC#N)C1=O,0.0
7916,CO-ADD:0226679,14.76,C1(=NN(C2=O)Cc3cc(C)ccc3C)N2C=CN(c4cccc(Cl)c4C)C1=O,0.0
7917,CO-ADD:0225471,14.76,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc(cc5)ccc5C(OCC)=O)=O,0.0
7918,CO-ADD:0329396,14.76,N1(C(=S)NN=C1c2[nH]nc(c3ccc(cc3)OC)c2)c4ccccc4C(F)(F)F,0.0
7919,CO-ADD:0330063,14.76,c1(NC(CSc2nnnn2c3ccccc3)=O)c(c4ccccc4)nc(cccc5)n15,0.0
7920,CO-ADD:0330071,14.76,c1(scc(OCCO2)c12)C(=O)Nc3scc(c4ccccc4)c3C(OCC)=O,0.0
7921,CO-ADD:0327636,14.76,S(=O)(=O)(CC(C12)CC(N1c3cccc(OCCCCCC)c3)=O)C2,0.0
7922,CO-ADD:0327660,14.76,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1c5ccccc5)CC,0.0
7923,CO-ADD:0329414,14.76,S(=O)(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(OCC)=O)c2ccc(c(cccc3)c23)Cl,0.0
7924,CO-ADD:0329563,14.75,C(=O)(NC(c1ccc(cc1)OC)CC(OCC)=O)c2ccccc2F,0.0
7925,CO-ADD:0329624,14.75,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)(=O)(=O)c3c(C)cc(c(C)c3)C,0.0
7926,CO-ADD:0329548,14.75,C(O)(C(OC)=O)(C(F)(F)F)NC(OCc1ccccc1)=O,0.0
7927,CO-ADD:0328121,14.75,n1(c(c2ccccc2)nn3)c3c4c(cc(c(O)c4)OC)CC1(C)C,0.0
7928,CO-ADD:0329245,14.75,n(cccc1C)(cc(c2)c3ccc(cc3)Cl)c12,0.0
7929,CO-ADD:0329277,14.75,S(=O)(=O)(c(cc1)ccc1N2C(=O)C(CC2=O)SC(N(CC)CC)=S)NC(C)=O,0.0
7930,CO-ADD:0329222,14.75,N1(c2ccccc2F)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
7931,CO-ADD:0329766,14.75,C1(C(F)(F)F)(NC(=O)c2cccc(OC)c2)C(=O)N(C(=O)N1)Cc3ccccc3,0.0
7932,CO-ADD:0329367,14.75,N(C1)(C2=O)C(C(N2C3)N(C4=O)CN3Cc5ccccc5)N4CN1Cc6ccccc6,0.0
7933,CO-ADD:0329791,14.74,C12=C(CC(C(C(OC)=O)C1=O)C)Nc(c3NC2c4ccc(C)o4)cccc3,0.0
7934,CO-ADD:0328589,14.74,C(C(OC)=O)(NC(Cc1ccccc1)=O)(C(F)(F)F)Nc2sc(c(CC)c2C(OC)=O)C,0.0
7935,CO-ADD:0328613,14.74,n1c(N2CCCCC2)nc(nc1N3CCCCC3)NC(c4ccc(cc4)C)CC(OCC)=O,0.0
7936,CO-ADD:0328333,14.74,N(c1ccccc1OC)(C(=O)C(C23)C(c4cccc(OCC)c4O)NC2(CC(C)C)C(O)=O)C3=O,0.0
7937,CO-ADD:0328630,14.74,N1(C(=O)c2ccc(cc2)OC)N3C(=NC1=S)C=C(C)C=C3,0.0
7938,CO-ADD:0328294,14.74,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c2ccc(cc2)F,0.0
7939,CO-ADD:0326225,14.74,[nH]1c(cccc2)c2c(CCNC(=O)\C(\NC(=O)c3ccco3)=C\c4ccco4)c1C,0.0
7940,CO-ADD:0329767,14.74,C1(C(F)(F)F)(NC(=O)c2cccc(OC)c2)C(=O)N(C(=O)N1)c3ccccc3,0.0
7941,CO-ADD:0329944,14.74,C(=O)(N1CCCC1)C2(CCCC2)c3ccc(c(OC)c3)OC,0.0
7942,CO-ADD:0329256,14.74,C(C(c1ccc(cc1)C)NCc(ccc(c23)OCO2)c3)C(OCC)=O.Cl,0.0
7943,CO-ADD:0329182,14.74,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cc3)ccc3CC#N,0.0
7944,CO-ADD:0332554,14.74,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N4CCc(c5C4)cccc5,0.0
7945,CO-ADD:0331842,14.74,C(C(c(cc1)ccn1)C(C(=O)NC(N2Cc3ccccc3)=O)=C2O)(C(=O)NC(N4Cc5ccccc5)=O)=C4O,0.0
7946,CO-ADD:0329198,14.74,N#CCc(cc1)ccc1NC(COc(ccc(c23)CCC2)c3)=O,0.0
7947,CO-ADD:0328319,14.73,n12c(c3c(cccc3)c(NCCCCO)n1)nnc2C(F)(F)C(F)(F)F,0.0
7948,CO-ADD:0326834,14.73,N(CC(C)OC1c2cccs2)(C(=O)c(ccc(c34)OCO3)c4)O1,0.0
7949,CO-ADD:0326842,14.73,C(C(N)=O)(=CC(N1OC(c2ccccc2)=O)(C)C)C1(C)C,0.0
7950,CO-ADD:0328420,14.73,N1(c2ccccc2OC)C(=O)CC(N(CCC(CC(CC3C4)CC45)(C5)C3)C(C)=O)C1=O,0.0
7951,CO-ADD:0328436,14.73,C(c1ccccc1)(CC2)(CCN2CCC(=O)Nc(cc3)ccc3OC(F)(F)F)C(OCC)=O.Cl,0.0
7952,CO-ADD:0329559,14.73,S(=O)(=O)(NC(c1ccc(cc1)OC)CC(OCC)=O)c2c(C)cc(c(C)c2)OC,0.0
7953,CO-ADD:0327406,14.73,c1(c(c2)scn2)n(CCC#N)c3c(cccc3)n1,0.0
7954,CO-ADD:0328591,14.73,C(F)(F)(F)c1ccccc1CNC(c2ccc(cc2)C)CC(OCC)=O.Cl,0.0
7955,CO-ADD:0329785,14.73,C1(C(OCCSC)=O)=C(C)Nc(c2S1)ccc(C)c2,0.0
7956,CO-ADD:0329746,14.73,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)OC)=O,0.0
7957,CO-ADD:0329762,14.72,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)N(C(=O)N1)CC(C)C,0.0
7958,CO-ADD:0329446,14.72,c(nc(C)cc1C)(nnc2SCC(c3ccccc3)=O)n12,0.0
7959,CO-ADD:0329494,14.72,S(=O)(=O)(N(CC1)CCN1c2ccccc2OC)c3c(Br)cc(c(OC)c3)OC,0.0
7960,CO-ADD:0326444,14.72,c1(cnn(c2ccccc2)c1N)C(=O)Nc3ccccc3,0.0
7961,CO-ADD:0328833,14.72,[N+](=O)([O-])c(cccc1C(=O)Nc(cc2)ccc2CC#N)c1,0.0
7962,CO-ADD:0329322,14.72,[N+]1(CC(C2)(C3)CC(C4)CC2CC34)=NOC(=N)[C-]1[H].Cl,0.0
7963,CO-ADD:0328262,14.72,c1(c2C)c(c(OCC)cccc1OCC)c(n2)C,0.0
7964,CO-ADD:0327227,14.72,C(F)(F)(F)c(ccc(c1NC(=O)c2ccco2)Oc(cc3)ccc3F)c1,0.0
7965,CO-ADD:0328541,14.72,c1(nnc(c(cc(I)cc2[N+](=O)[O-])c2)o1)c3c(OC)cc(c4c3)cccc4,0.0
7966,CO-ADD:0329561,14.72,S(=O)(=O)(NC(c1ccc(cc1)OC)CC(OCC)=O)c2ccc(c(cccc3)c23)OC,0.0
7967,CO-ADD:0328245,14.72,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)cc(c(c2C)NS(c3ccccc3)(=O)=O)C,0.0
7968,CO-ADD:0329141,14.72,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5cc(OCO6)c6cc5[N+](=O)[O-])cccc4,0.0
7969,CO-ADD:0328463,14.72,n1(CC)c(C)nnc1SCc2ccccc2,0.0
7970,CO-ADD:0327981,14.72,S(=O)(=O)(N(CC1)CCN1c2ccccc2OC)c3c(C)ccc(nsn4)c34,0.0
7971,CO-ADD:0328236,14.72,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)cc(c(c2)NS(=O)(=O)c3ccc(cc3)OC)C,0.0
7972,CO-ADD:0327538,14.72,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3Oc4c(Cl)cc(cn4)Cl)n2)Cc(cc(OCO5)c5c6)c6Cl,0.0
7973,CO-ADD:0328401,14.72,C(/Nc(cc1)ccc1OC)(\C(OC)=O)=C/C(c2ccccc2)=O,0.0
7974,CO-ADD:0329132,14.71,C(=O)(Nc(cc1)ccc1CC#N)c2ccccc2OCC,0.0
7975,CO-ADD:0328986,14.71,c1(cccc(cccc2)c12)C(NCCOc3cccc(OC)c3)=O,0.0
7976,CO-ADD:0328969,14.71,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(ccc(c4OC)OCC(=O)Nc(c(C(N)=O)nn5c6ccccc6)n5)c4)\C1=O,0.0
7977,CO-ADD:0329429,14.71,C1(=Cc(cccc2OC)c2OC1=O)C(=O)N(CC3)CCN3c4cccc(Cl)c4,0.0
7978,CO-ADD:0329669,14.71,S(=O)(=O)(Oc(cc1)ccc1Oc2c(Cl)cc(cn2)Cl)c3ccc(c(OC)c3)OC,0.0
7979,CO-ADD:0326219,14.71,[N+](=O)([O-])c(cccc1\C=C(\C(NCCc(c2c([nH]3)cccc2)c3C)=O)/NC(=O)c4ccc(cc4)OC)c1,0.0
7980,CO-ADD:0329493,14.71,n1(cnc(cc(C)c(C)c2)c12)C(=O)N3CCCCCC3,0.0
7981,CO-ADD:0326280,14.71,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCC)c4ccc(cc4)F,0.0
7982,CO-ADD:0331805,14.71,C(c1ccccc1)(=O)NC(CCSC)C(=O)Nc(cc2)ccc2C,0.0
7983,CO-ADD:0329821,14.71,n12c(SCC(c3ccc(cc3)Cl)=N1)nnc2C(F)(F)F,0.0
7984,CO-ADD:0326458,14.71,n1(n2)c(nc(cc1C(F)(F)Cl)c3cccs3)cc2C(=O)N4CCCCCC4,0.0
7985,CO-ADD:0329502,14.71,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2C(=O)C(c3ccccc3)c4ccccc4,0.0
7986,CO-ADD:0332609,14.71,S(O)(=O)(=O)Oc1ccccc1C=O,0.0
7987,CO-ADD:0332290,14.71,C1(N2CCC(CC2)C)=NC(NC(=O)N1)=O,0.0
7988,CO-ADD:0227095,14.7,C1(C#N)(C#N)[C@H](c2ccc(cc2)F)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(C)=O,0.0
7989,CO-ADD:0227266,14.7,c1(ccc(cc1NC(C)=O)NC(C)=O)C(N)=O,0.0
7990,CO-ADD:0227341,14.7,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3ccc(cc3OC)OC,0.0
7991,CO-ADD:0227977,14.7,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2ccccc2OC,0.0
7992,CO-ADD:0227143,14.7,N1(c2cccc(Br)c2)C(=O)C(C(C1=O)C34C(OC)OC)C(c(c35)cccc5)c(c46)cccc6,0.0
7993,CO-ADD:0231803,14.7,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c(ccc(c2OCC)O)c2,0.0
7994,CO-ADD:0328355,14.7,C(Nc(cc1)ccc1OC)(OC(C)=CC2=O)=C2C(C)=O,0.0
7995,CO-ADD:0326873,14.7,C(CN)(CC(CC12)CC3(C1)CN)(C2)C3.Cl.Cl,0.0
7996,CO-ADD:0326105,14.7,C1(N(CC2C)CC(O2)C)=NC(\C(=C(\C3)/CCCC3)\S1)=O,0.0
7997,CO-ADD:0329440,14.7,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N(CC3)CCN3c4ccccc4F,0.0
7998,CO-ADD:0330000,14.7,C(O1)(C2=O)C(C(N1c3ccccc3)c4ccc(cc4)OC)C(N2c(cc5)ccc5[N+](=O)[O-])=O,0.0
7999,CO-ADD:0329933,14.7,c12n(ncn1N)c(nn2)SCc3nnc(CSc4nnc5n4ncn5N)n3N,0.0
8000,CO-ADD:0329709,14.7,c(SCC(=O)N(C)c1ccc(cc1)OC(F)(F)F)(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3,0.0
8001,CO-ADD:0329301,14.7,C(=C/c(cc1)ccc1N(CC)CC)(/C2=O)\C(=O)OC(c3ccccc3)O2,0.0
8002,CO-ADD:0329318,14.7,c1(N(CC2)CCN2)cc(C(OC)=O)c3c(cccc3)n1.Cl,0.0
8003,CO-ADD:0328078,14.7,S(=O)(=O)(NC(c1ccccc1Cl)CC(OCC)=O)c2ccc(c(cccc3)c23)OCC,0.0
8004,CO-ADD:0327684,14.7,c1(c2ccccc2F)nnn(CC(=O)NCc(ccc(c34)OCO3)c4)n1,0.0
8005,CO-ADD:0327332,14.69,c1(NC(=O)CCN(CC2)CCN2C)cc(on1)C.Cl,0.0
8006,CO-ADD:0327212,14.69,C1(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(SCC(CCl)O)C1NC(C)=O,0.0
8007,CO-ADD:0329816,14.69,c1(CN(c2ccc(cc2)Br)C(=O)Nc3cccc(Cl)c3)nnc(CCCCC4)n14,0.0
8008,CO-ADD:0330032,14.69,[N+](=O)([O-])c1cccc(c1)C(CC(O)=O)NC(=O)c2cccc(Br)c2,0.0
8009,CO-ADD:0329902,14.69,c(cc1OC)ccc1NS(=O)(=O)c2cccc(c2n3)ns3,0.0
8010,CO-ADD:0326490,14.69,n1(CC(=O)N(c2ccc(cc2)NC(C)=O)C3(CCCCC3)C(=O)Nc4ccccc4C)nnnc1N,0.0
8011,CO-ADD:0326106,14.68,C1(=O)Nc2c(Oc(cc(cc3Oc(cc4)ccc4Cl)[N+](=O)[O-])c13)ccc(Cl)c2,0.0
8012,CO-ADD:0329552,14.68,c12n(ncn1N)c(nn2)SCc(cccc3C(F)(F)F)c3,0.0
8013,CO-ADD:0329923,14.68,c12c(C(c3ccc(c(OC)c3)OC)SCC(=O)N1)c(nn2c4ccccc4)c5ccccc5,0.0
8014,CO-ADD:0329955,14.68,c1([N+](=O)[O-])cc(n(Cc(cc2)ccc2C(=O)Nc(cc3)ccc3CC#N)n1)C,0.0
8015,CO-ADD:0329971,14.68,c1(ccnn1C)C(=O)Nc(cc2)ccc2CC#N,0.0
8016,CO-ADD:0328813,14.68,c1(c2c(cs1)CCCC2)C(=O)N3CCCC3,0.0
8017,CO-ADD:0329449,14.68,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc(cccc3C(C)=O)c3,0.0
8018,CO-ADD:0326823,14.68,c12c(ccc(C(=O)Nc3ccccc3Cl)c1[N+](=O)[O-])C(=O)c(c4C2=O)cccc4,0.0
8019,CO-ADD:0328550,14.68,N1c(ccc(c2)C(OCCCC)=O)c2C3C(CC=C3)C1c(cc4)ccc4[N+](=O)[O-],0.0
8020,CO-ADD:0330033,14.68,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(c2ccc(cc2)F)CC(O)=O,0.0
8021,CO-ADD:0328316,14.68,c1(C(=O)c2ccc(cc2)F)oc3c(c(C)cc(C)n3)c1N,0.0
8022,CO-ADD:0327806,14.68,c1cc(nc(c2cc([C@@]3([H])C[C@@H](C(C)(C)[C@@]34C)CC4)c(O)c([C@]5([H])C[C@H](C(C)(C)C56C)CC6)c2)[nH]7)c7cc1,0.0
8023,CO-ADD:0327614,14.67,c(c(C)nc(c1c2ocnn2)C)(c1)c3ocnn3,0.0
8024,CO-ADD:0327915,14.67,S(=O)(=O)(c1cccc(c1)C(O)=O)N(C)Cc2ccco2,0.0
8025,CO-ADD:0329892,14.67,C(C#N)(=C(C)C(C(O)=O)=NN1c2ccc(c(Cl)c2)C)C1=O,0.0
8026,CO-ADD:0221255,14.67,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(=O)N(CC3)CCN3C(=O)CN(c4ccc(cc4)OC)S(=O)(=O)c5ccc(cc5)C,0.0
8027,CO-ADD:0221703,14.67,C(NCCCCCCNC(NCCOCc1ccccc1)=O)(NCCOCc2ccccc2)=O,0.0
8028,CO-ADD:0221329,14.67,c1(cccc(nsn2)c12)S(NCCCCCC(O)=O)(=O)=O,0.0
8029,CO-ADD:0220200,14.67,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(cc3)ccc3c4sc(c5n4)cccc5)[N+](=O)[O-],0.0
8030,CO-ADD:0219109,14.66,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2,0.0
8031,CO-ADD:0222567,14.66,N(C(CCCC(O)=O)=O)c1ccc(cc1C)Br,0.0
8032,CO-ADD:0222026,14.66,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(COc3cccc(C)c3)=O,0.0
8033,CO-ADD:0219186,14.66,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c2ccc(C)o2)c1,0.0
8034,CO-ADD:0222827,14.66,C(OCc1ccccc1)(=O)NC(C)C(NCCc2ccccc2)=O,0.0
8035,CO-ADD:0222787,14.66,C(COc1ccc(cc1C)C)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
8036,CO-ADD:0219573,14.66,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(COc3ccccc3C)=O,0.0
8037,CO-ADD:0221801,14.66,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cco2)c2,0.0
8038,CO-ADD:0219443,14.66,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)C(=O)Nc(cccc2C(F)(F)F)c2,0.0
8039,CO-ADD:0221199,14.66,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C3CCCCC3)c1C,0.0
8040,CO-ADD:0220395,14.66,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2OC,0.0
8041,CO-ADD:0222599,14.66,C(=O)(Nc(cc1)ccc1OC)C\C(\C)=N\NC(COc(cc2)ccc2OC)=O,0.0
8042,CO-ADD:0221193,14.66,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Nc3ccc(cn3)Cl,0.0
8043,CO-ADD:0219289,14.66,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cc4)ccc4OC,0.0
8044,CO-ADD:0222714,14.66,C(=O)(Nc1cccc(C)c1)C(=O)NCc2ccccc2Cl,0.0
8045,CO-ADD:0222530,14.66,c1(Br)c(O)c(\C=N\c(ccc(c2Cl)OC)c2)cc(Br)c1O,0.0
8046,CO-ADD:0222371,14.66,c1(N(CC2)CCO2)nc(N\N=C/c(c3)c(O)c(cc3[N+](=O)[O-])Br)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
8047,CO-ADD:0220468,14.66,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(c2)c(O)c(cc2[N+](=O)[O-])Br)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
8048,CO-ADD:0220359,14.65,c1(cc(C)cc(I)c1O)\C=N\c(cc2)ccc2F,0.0
8049,CO-ADD:0219249,14.65,C(=O)(c1ccc(cc1)F)Nc(cccc2C(=O)N\N=C\c(cc3)ccc3F)c2,0.0
8050,CO-ADD:0222173,14.65,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(=O)Cc3ccc(c(cccc4)c34)Br)Br,0.0
8051,CO-ADD:0222147,14.65,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNc2cccc(cccc3)c23)=O)c4ccccc4Cl,0.0
8052,CO-ADD:0222788,14.65,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(CNc2cccc(C)c2)=O,0.0
8053,CO-ADD:0222181,14.65,c1(O)c(OC)cc(cc1OC)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
8054,CO-ADD:0220361,14.65,C(CNc1ccccc1C)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
8055,CO-ADD:0220423,14.65,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(=O)c3ccc(c4n3)cccc4,0.0
8056,CO-ADD:0220863,14.65,C(=O)(c1ccc(cc1)NC(C)=O)OC2CCCCCCCCCCC2,0.0
8057,CO-ADD:0219996,14.65,N1(CNc(cc2)ccc2C(OC)=O)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
8058,CO-ADD:0221174,14.64,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)N\N=C\c(cc3)ccc3C,0.0
8059,CO-ADD:0221159,14.64,N1(c2ccc(cc2)F)C(=O)C(CC1=O)SCC(O)=O,0.0
8060,CO-ADD:0219398,14.64,C(=O)(N\N=C\c1cccc(I)c1)C(=O)NCc(cc2)ccc2C,0.0
8061,CO-ADD:0220697,14.64,c1(N(CC2)CCO2)nc(N\N=C\c3cccc(Cl)c3)nc(Nc(cc4)ccc4C)n1,0.0
8062,CO-ADD:0220514,14.64,c1(\C=N\NC(=O)\C(=C\c2ccccc2O)\NC(c3ccccc3)=O)c4c([nH]c1C)cccc4,0.0
8063,CO-ADD:0220490,14.64,c1(OCC(=O)N\N=C\c2ccccc2Cl)c(Br)cc(cc1Br)C,0.0
8064,CO-ADD:0220293,14.64,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(CNc(cc3)ccc3C)=O)o2)c1,0.0
8065,CO-ADD:0222349,14.64,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3[N+](=O)[O-])nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
8066,CO-ADD:0222065,14.64,N1(C(=O)Cc2ccccc2)N=C(CC1(O)c3ccccc3)CC,0.0
8067,CO-ADD:0222650,14.64,c1(cc(ccc1Cl)NC(=O)C\C(\C)=N\NC(=O)c2cccc(F)c2)C(F)(F)F,0.0
8068,CO-ADD:0222593,14.64,C(=O)(CCCl)NCC1(CCCC1)c2ccccc2,0.0
8069,CO-ADD:0222835,14.64,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)N2CCCCC2,0.0
8070,CO-ADD:0222821,14.64,C(/C(OCC)=O)(\C(OCC)=O)=C/Nc(cc1)ccn1,0.0
8071,CO-ADD:0222850,14.64,S(=O)(=O)(c1ccc(cc1)C)N(C)CC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2,0.0
8072,CO-ADD:0219570,14.63,C(=O)(N\N=C\c1c(cccc1Cl)Cl)C(=O)Nc2cccc(C)c2,0.0
8073,CO-ADD:0220082,14.63,n1(CC(O)CN(CC2)CCO2)c3c(c(cc(Br)cc4)c14)cc(Br)cc3,0.0
8074,CO-ADD:0222770,14.63,C(c1ccccn1)(=S)Nc2ccccc2OC,0.0
8075,CO-ADD:0219211,14.63,c1(ccc(cc1Cl)Cl)C(=O)NC2CC2,0.0
8076,CO-ADD:0219752,14.63,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c(cc2)ccc2N(C)C,0.0
8077,CO-ADD:0219420,14.63,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2OC,0.0
8078,CO-ADD:0219218,14.63,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c2ccc(cc2)OCCC,0.0
8079,CO-ADD:0222800,14.63,C(N)(=O)c1ccc(cc1)NC(COc(cc2)ccc2C)=O,0.0
8080,CO-ADD:0222260,14.63,N12C(C=CC=C1)=NC(C)=CC2=O.O,0.0
8081,CO-ADD:0219212,14.63,C(O)(=O)c1ccc(cc1)NC(CCCCCCCCC(OC)=O)=O,0.0
8082,CO-ADD:0222294,14.63,c1([nH]c(c2n1)cccc2)c3cc(ccc3O)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
8083,CO-ADD:0221218,14.63,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)Nc3cccc(C)c3)c4ccccc4,0.0
8084,CO-ADD:0222625,14.63,C(COc1ccccc1)(=O)Nc(cc2)ccc2C(C)C,0.0
8085,CO-ADD:0220123,14.63,C(=C/c1ccc(cc1OC)OC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\C(C3)C(C)CC(C)=C3,0.0
8086,CO-ADD:0222401,14.63,c1(OCC(=O)N\N=C\c2cccc(I)c2)c(OC)cc(cc1Br)Br,0.0
8087,CO-ADD:0222270,14.63,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccccc2Br)=O)c3ccccc3I,0.0
8088,CO-ADD:0220107,14.62,C(/c1ccc(cc1)OCC)(\c2ccc(cc2)OCC)=C(/Cl)\Cl,0.0
8089,CO-ADD:0219572,14.62,c1(ccccc1I)C(O\N=C/c(cc2)ccc2OCC)=O,0.0
8090,CO-ADD:0219238,14.62,N(=C(/CCC)\c1ccccc1)/NC(=O)c2ccc(cc2)NC(CCCCCCC)=O,0.0
8091,CO-ADD:0220396,14.62,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c2cccc(OC)c2,0.0
8092,CO-ADD:0219531,14.62,C(/O)(\c1ccc(cc1)OC)=C/C=N/c2cccc(Br)c2,0.0
8093,CO-ADD:0221058,14.62,c1(\C=N\NC(COc2ccc(cc2OC)Br)=O)c(C)cc(cc1O)O,0.0
8094,CO-ADD:0219286,14.62,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c4ccc(cc4Cl)Cl,0.0
8096,CO-ADD:0221600,14.62,N1(O)C(=O)CNC1c(cccc2[N+](=O)[O-])c2,0.0
8097,CO-ADD:0221481,14.62,C(=O)(N\N=C\c(cc1)ccc1N(CC)CC)c2ccc(cc2)Br,0.0
8098,CO-ADD:0221519,14.62,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\NNC(=O)C(=O)NN\C=C(/C(C)=NN3c4ccccc4C)\C3=O,0.0
8099,CO-ADD:0221232,14.62,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])N(CCC#N)C(C)C,0.0
8100,CO-ADD:0221617,14.61,C(F)(F)(F)c1cccc(c1)NC(=O)C\C(\C)=N\NC(CCCC)=O,0.0
8101,CO-ADD:0219021,14.61,C(C)(C)(c1ccc(cc1)Oc(cc2)ccc2\N=C/c(cc3)ccc3OC)c4ccc(cc4)Oc(cc5)ccc5\N=C/c(cc6)ccc6OC,0.0
8102,CO-ADD:0219192,14.61,C(=O)(N\N=C\c(cc1)ccc1OCC)c2ccc(cc2)NC(CCCCCCC)=O,0.0
8103,CO-ADD:0221711,14.61,N(=C\c1ccccc1Cl)/NC(CCCC(=O)Nc2cccc(Br)c2)=O,0.0
8104,CO-ADD:0221373,14.61,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CC(c3ccccc3)(c4ccccc4)C#N,0.0
8105,CO-ADD:0221382,14.61,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)Oc(cccc2NC(=O)c3ccccc3Cl)c2)Cl)c1,0.0
8106,CO-ADD:0221608,14.61,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(/C)\CC(=O)Nc2ccc(cc2F)F,0.0
8107,CO-ADD:0221310,14.61,C(O)(=O)C(NC=O)Cc1ccccc1,0.0
8108,CO-ADD:0221283,14.61,c1(N(CC(OC)=O)C#N)nc(NCC)nc(NC(C)C)n1,0.0
8109,CO-ADD:0157342,14.61,O=C(C1=CC=CC=C1)N[C@@H](C(C)CC)C(N/N=C/C2=CC=C(C=C2)N(C)C)=O,0.0
8110,CO-ADD:0157095,14.61,N#CC1=CC(C2=CC=CC=C2)=C(C3=CC=C(OC)C=C3)NC1=S,0.0
8111,CO-ADD:0157610,14.61,O=C(N/N=C(C)/C1=CC=CS1)COC2=C(Br)C=C(Br)C=C2OC,0.0
8112,CO-ADD:0157614,14.61,[O-][N+](C1=CC=C(Cl)C(C(OC/2=O)=NC2=C/C3=C(Cl)C=C(Cl)C=C3)=C1)=O,0.0
8113,CO-ADD:0157526,14.61,O=C(NCC1=CN=CC=C1)NC(C=C2)=CC=C2OCCCCCCCCCC,0.0
8114,CO-ADD:0157878,14.61,N(N=C1)(C2=CC=CC=C2)C3=C1C(NCCC4=CC=CC=C4)=NC=N3,0.0
8115,CO-ADD:0157517,14.61,O=C(C1=CC=CC=C1)N/N=C/C2=C(OCC)C=CC(Br)=C2,0.0
8116,CO-ADD:0157637,14.61,O=C(C1[C@@H](C=C2)[C@@H]3[C@@H](C3)[C@@H]2C41)N(C5=CC=NC=C5)C4=O,0.0
8117,CO-ADD:0157861,14.61,CC(C)(C)C1=CC=C(C=C1)C(O2)=NC3=C2C=CC(/N=C/C4=CC=CC=C4)=C3,0.0
8118,CO-ADD:0157593,14.6,O=C(COC1=CC=C(C)C=C1)NC2=CC=CC=N2,0.0
8119,CO-ADD:0157102,14.6,O=C(CSC1=NC(C)=CC(C)=N1)NC(N=C2)=CC=C2Br,0.0
8120,CO-ADD:0156983,14.6,N#CC1=C(N)S[C@@H](C(C)=O)[C@@H]1C2=CC=CS2,0.0
8121,CO-ADD:0157031,14.6,N#CC1=C(C2=CC=CS2)C=C(C3=CC=CS3)NC1=S,0.0
8122,CO-ADD:0157555,14.6,CC1(C)C(C(C)(O)CC2)CC32C1CCC3C,0.0
8123,CO-ADD:0157280,14.6,O=C(C)N1C(/C=C/C2=CC=CC=C2)OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=C1C=CC=C5,0.0
8124,CO-ADD:0157587,14.6,O=C(C1=C2C=CC(C(OCCC)=O)=C1)N(C3=CC=C(C)C=C3)C2=O,0.0
8125,CO-ADD:0157336,14.6,O=C(N/C(C(N/N=C/C1=CC=C(C=C1)C(C)(C)C)=O)=C\C2=CC=C(N(C)C)C=C2)C3=CC=CC=C3Cl,0.0
8126,CO-ADD:0157008,14.6,NC1=C(C(OCC2=CC=CC=C2)=O)SC3=C1C(C(F)(F)F)=CC(C4=CC=CS4)=N3,0.0
8127,CO-ADD:0157575,14.6,O=C(OCC)C1=C(O)C2=C(N=C1)C3=NSN=C3C=C2,0.0
8128,CO-ADD:0157487,14.59,O=C(C(C=C1)=CC=C1Br)NC2=CC(C)=C(C)C=C2,0.0
8129,CO-ADD:0157583,14.59,O=C(C=C1C)N2C(N1)=NC(N)=N2,0.0
8130,CO-ADD:0157607,14.59,[O-][N+](C1=C(Cl)C=CC(C(NC(C=C2)=CC=C2OCC(F)(F)C(F)(F)C(F)(F)C(F)F)=O)=C1)=O,0.0
8131,CO-ADD:0157623,14.59,O=C(C1=CC=CO1)NC2=C(C(OCC)=O)SC3=C2C(C4=CC=CC=C4)=CC(C5=CC=CC=C5)=N3,0.0
8132,CO-ADD:0157635,14.59,[N+]1(C2=NON=C2N3CCCCCC3)=NC4=NON=C4[N-]1,0.0
8133,CO-ADD:0157919,14.59,OC1=CC=C(C=C1)/C=N/NC2=NC(NC3=CC=CC=C3)=NC(NC4=C(C)C=C(C)C=C4)=N2,0.0
8134,CO-ADD:0157560,14.59,BrC1=C(C2=CC=CC=C2)NC3=CC([N+]([O-])=O)=CC(O)=C31,0.0
8135,CO-ADD:0157232,14.59,BrC1=CC=C(C=C1)C2=CC=C(/C=N/C3=CC=C(C=C3)C(O4)=NC5=C4C=C(C)C=C5)O2,0.0
8136,CO-ADD:0157240,14.59,O=C(OC1=CC=C(C2=CC=CC=C2)C=C1)C(C3)C3C4=CC=CC=C4,0.0
8137,CO-ADD:0157612,14.59,O=C(N/C(S/1)=N\N=C\C2=CC=C(Cl)C=C2)C1=C\C(C=C3)=CC=C3OC,0.0
8138,CO-ADD:0163524,14.59,C(=O)(N\N=C\c(ccc(c12)cccc1)c2)c(ccc(c34)OCCO3)c4,0.0
8139,CO-ADD:0163252,14.59,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2ccccc2[N+](=O)[O-],0.0
8140,CO-ADD:0157185,14.59,O=C(COC(C=CC=C1)=C1C)NC2=CC(Cl)=C(OC)C=C2OC,0.0
8141,CO-ADD:0163999,14.59,O=C(N1OC(O)C(CC2=CC=CC=C2)C1)OCC3=CC=CC=C3,0.0
8142,CO-ADD:0157274,14.59,O=C(NCC1=CC=C2OCOC2=C1)C3=CC=CC=C3Cl,0.0
8143,CO-ADD:0157106,14.59,O=C(NC1=C/2C=C(Br)C=C1)C2=C\C(C3=CC=C(Cl)C=C3)=O,0.0
8144,CO-ADD:0163620,14.58,C(=N\NC(COc1c(Br)cc(cc1Br)C)=O)(/c(cc(Br)cc2C)c2N3C)\C3=O,0.0
8145,CO-ADD:0163636,14.58,N(=C(/C)\c1ccc(cc1)Br)/NC(=O)Cc2cccc(cccc3)c23,0.0
8146,CO-ADD:0163100,14.58,C(C#N)(C1c(cc2)ccc2C(C)C)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
8147,CO-ADD:0157346,14.58,S=C(S/1)N(CN(CCCC)CCCC)C(C1=C\C(C=C2)=CC=C2Cl)=O,0.0
8148,CO-ADD:0157178,14.58,[O-][N+](C1=CC=CC=C1COC2=C(C=CC=C2)/C=N/NC(C3=CC=CC(NC(CC4=CC=CC=C4)=O)=C3)=O)=O,0.0
8149,CO-ADD:0157275,14.58,O=C(NC1=CC=C(F)C=C1)CCC(N/N=C/C2=C(C=CC=C3)C3=CC4=C2C=CC=C4)=O,0.0
8150,CO-ADD:0157091,14.58,N#CC1=C(S/C2=C\C3=CC=C(F)C=C3)N(C2=O)C(N)=C(C#N)C1C(C=C4)=CC=C4F,0.0
8151,CO-ADD:0157299,14.58,O=C(COC1=CC=C(CCCCC)C=C1)N/N=C/C(C=C2)=C(OC(C)=O)C=C2OC(C)=O,0.0
8152,CO-ADD:0163108,14.57,c(C(=O)c1ccc(cc1)Br)(sc(c23)nc(cc2C(F)(F)F)c4cccs4)c3N,0.0
8153,CO-ADD:0157195,14.57,S=C(NC(C)=C1)C(C(O/2)=O)=C1C2=C/C3=C(OC)C=C(OC)C=C3,0.0
8154,CO-ADD:0157132,14.57,O=C(C(C=CC=C1)=C1Cl)N/C(C(N/N=C/C2=CC=C(C(OC)=C2)O)=O)=C/C3=CC=CS3,0.0
8155,CO-ADD:0163517,14.57,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(=O)c(ccc(c23)OCCO2)c3,0.0
8156,CO-ADD:0163589,14.57,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(CSCc3cccc(Cl)c3)=O,0.0
8157,CO-ADD:0157012,14.57,N#CC(C(C(F)(F)F)=C1)=C(SCC(NC(N=C2)=C(Br)C=C2Br)=O)N=C1C3=CC=CC=C3,0.0
8158,CO-ADD:0157350,14.57,O=C(C(C=C1)=CC=C1NC(CCCCCCC)=O)N/N=C(C)/C=C/C2=CC=CC=C2,0.0
8159,CO-ADD:0157158,14.57,O=C(CCCCCN(CC(O)COC1=CC=CC=C1)CC(O)COC2=CC=CC=C2)O,0.0
8160,CO-ADD:0157881,14.57,[O-][N+](C1=C(O)C(/C=N/C2=CC(C3=NC(C=C4)=C(C=C4C)O3)=C(Cl)C=C2)=CC(Cl)=C1)=O,0.0
8161,CO-ADD:0157793,14.57,[O-][N+](C1=CC=C(/C=N/NC(C(C=CC=C2)=C2[N+]([O-])=O)=O)S1)=O,0.0
8162,CO-ADD:0157190,14.57,N#CC1=C(SCC(C2(C[C@H]3C4)C[C@H]4C[C@H](C3)C2)=O)N=C(C(C=C5)=CC=C5C)C=C1C6=CC=C(Cl)C=C6,0.0
8163,CO-ADD:0157850,14.57,O=C1OC(C(C(Cl)=C2)=CC=C2Cl)=N/C1=C\C(C)=C\C3=CC=CC=C3,0.0
8164,CO-ADD:0157866,14.57,[O-][N+](C1=C(O)C(/C=N/C2=CC3=C(C=C2)OC(C(C=C4)=CC=C4F)=N3)=CC(Cl)=C1)=O,0.0
8165,CO-ADD:0157198,14.56,O=C(CN1CCOCC1)NC2=NC=CS2,0.0
8166,CO-ADD:0157079,14.56,N#CC(C(C1=CC(Br)=CS1)C(C2=O)=C(C3=CC=CC=C3O2)O4)=C4N,0.0
8167,CO-ADD:0157279,14.56,O=C(OCC1=CC=CC=C1)NCC(NCC(NCCO)=O)=O,0.0
8168,CO-ADD:0243387,14.56,C12=C(OC(=O)CC1c(cc3OC)cc(c34)OCO4)c5c(cccc5)NC2=O,0.0
8170,CO-ADD:0243591,14.56,c(OC)(cc1O)c(OCO2)c2c1OC,0.0
8171,CO-ADD:0243717,14.56,n(cc1)cn1CCCN(C(=O)C(O)=C2C(=O)c3cc(OC)c(OC)cc3)C2c(c4)cc(OCO5)c5c4OC,0.0
8172,CO-ADD:0243049,14.56,c1(c(Br)c(OC)c(c2c1Br)OCO2)C(ON=C3C(=O)N\N=C\c(ccc4C(C)(C)C)cc4)C3C,0.0
8173,CO-ADD:0243161,14.56,c(CC(CC(=N1)CO)O1)(c(OC)c(c23)OCO2)c(Br)c3OC,0.0
8174,CO-ADD:0243169,14.56,c1(OC)c(OC)c(CC(C)NC(=O)c2ccccc2Cl)cc(OCO3)c13,0.0
8175,CO-ADD:0243927,14.56,CCOc1cc(CCNC(=O)CC(c(cc(OCO2)c23)cc3OC)C(C(=O)OC(C)=C4)=C4O)ccc1OCC,0.0
8176,CO-ADD:0243266,14.56,c1(C2c(cc(c3c4OCO3)OC)c4)c(n[nH]c1C(C)C)OC(N)=C2C#N,0.0
8178,CO-ADD:0243731,14.56,n(ccn1CCCN(C(=O)C(O)=C2C(=O)c3ccc(OC)c(OC)c3)C2c(cc(OC)c4c5OCO4)c5OC)c1,0.0
8179,CO-ADD:0243538,14.56,c(C(CNC1=O)C1C(O)=O)(c2)c(OC)c(OCO3)c3c2OC,0.0
8180,CO-ADD:0243237,14.56,c1(c2OC)c(OCO1)c(OC)cc2CC(CC(=N3)CO)O3,0.0
8181,CO-ADD:0243182,14.56,c(OC1)(c(OC)cc2\C=C\C(=O)NC(CCC)CCC)c(O1)c2OC,0.0
8182,CO-ADD:0243800,14.56,C(C)(=C1)OC(=O)C(C(c(cc2c(OCO2)c3OC)c3)C(C(=O)Nc(cc(OC)c(OC)c4OC)c4)O5)=C15,0.0
8183,CO-ADD:0243512,14.55,C12=C(C(CC(=O)N1c3ccccc3)c(cc(c(OCO4)c45)OC)c5OC)SC(=O)N2C,0.0
8184,CO-ADD:0243422,14.55,COc(c(c(O1)cc2c(c(c(c(c(CC3)c4)CC3)n5)c4)c(c5C6)C(O6)=O)OC1)c2,0.0
8185,CO-ADD:0243079,14.55,c(\C=C(/C#N)\C#N)(c1OC)c(CC2CC(C(OCC)=O)=NO2)c(OC)c(OCO3)c13,0.0
8186,CO-ADD:0218251,14.55,c1(\C=N\NC(COc(cc2)ccc2I)=O)cc(OC)ccc1OC,0.0
8187,CO-ADD:0217923,14.55,C(=O)(CN(CC1)CCN1Cc2ccccc2)Nc3ccc(cn3)Br,0.0
8188,CO-ADD:0217940,14.55,c1(c(ccc(c1)[N+](=O)[O-])NC(=O)c2ccco2)[N+](=O)[O-],0.0
8189,CO-ADD:0226753,14.55,c12n(ccn(nc(c3ccc(cc3)C)c4)c14)c(nn2)SCC(=O)Nc(cc5)ccc5CCCC,0.0
8190,CO-ADD:0226703,14.55,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc4cccc(Br)c4,0.0
8191,CO-ADD:0225671,14.55,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(NCCC4=CCCCC4)=O)=O,0.0
8192,CO-ADD:0225467,14.55,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc(cc5)ccc5OCC)=O,0.0
8193,CO-ADD:0225475,14.54,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc5c(OC)ccc(OC)c5)=O,0.0
8194,CO-ADD:0225315,14.54,c12n(c3c(cccc3)nc1N4CCCCC4)c(nn2)CCC(=O)NCc(cc5)ccc5C(C)C,0.0
8195,CO-ADD:0226767,14.54,C1(=NN(C2=O)CC#N)N2c(c3C(=O)N1Cc(cc4)ccc4C)cccc3,0.0
8196,CO-ADD:0225719,14.54,C1(=N2)N(C=Nc3c1sc(n3)N4CCCC4)C(N2CC(=O)Nc5ccccc5Br)=O,0.0
8197,CO-ADD:0225499,14.54,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5ccccc5OC)=O,0.0
8198,CO-ADD:0225515,14.54,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)NCc(cc5)ccc5OC)=O,0.0
8199,CO-ADD:0225469,14.54,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc(cc5)ccc5C(C)=O)=O,0.0
8200,CO-ADD:0226690,14.54,C1(=NNC2=S)N2c3c(ccc(c3)C(=O)NC4CCCCC4)C(=O)N1CCC(C)C,0.0
8201,CO-ADD:0225570,14.54,N12C(C=CC(Sc3ccccc3)=N1)=NN(CC(=O)Nc(ccc(c4Cl)F)c4)C2=O,0.0
8202,CO-ADD:0226983,14.54,N(C1=O)(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN1CC(=O)N(C)c5ccccc5,0.0
8203,CO-ADD:0226652,14.54,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4cc(OC)cc(OC)c4,0.0
8204,CO-ADD:0225498,14.54,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)N5CCCc(cccc6)c56)=O,0.0
8205,CO-ADD:0226996,14.53,n12c(ccc(N(C)CCCC)n1)nnc2CCc3onc(c4cccc(Br)c4)n3,0.0
8206,CO-ADD:0226428,14.53,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCc4cc(C)ccc4C,0.0
8207,CO-ADD:0226487,14.53,c1(nnc2SC(CC)C(=O)Nc3c(OC)ccc(OC)c3)n2C=CN(c4cccc(OC)c4)C1=O,0.0
8208,CO-ADD:0218381,14.53,c([N+](=O)[O-])(c(Cl)c(cc1[N+](=O)[O-])[N+](=O)[O-])c1NCC(C)([N+](=O)[O-])[N+](=O)[O-],0.0
8209,CO-ADD:0218372,14.53,c([N+](=O)[O-])(c(C)c([N+](=O)[O-])c(c1[N+](=O)[O-])C)c1NCCO,0.0
8210,CO-ADD:0218292,14.52,S(N)(=O)(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)C,0.0
8211,CO-ADD:0218316,14.52,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(c2ccccc2)=O,0.0
8212,CO-ADD:0218131,14.52,S1(=O)(=O)c2c(C(NCCC3=CCCCC3)=N1)ccc(c2)[N+](=O)[O-],0.0
8213,CO-ADD:0217852,14.52,c(Nc(cc1)ccc1OC)(nc(Nc(cc2)ccc2OC)nc3Nc(cc4)ccc4OC)n3,0.0
8214,CO-ADD:0217916,14.52,n1c(c2ccccc2)ccc(C#N)c1SCC(=O)c3cccs3,0.0
8215,CO-ADD:0259539,14.52,c1(NC(=O)c(cc2)cc(c2[N+](=O)[O-])C)sc(c3c1C#N)CCC3,0.0
8216,CO-ADD:0259635,14.52,C(=O)(Nc(cc1)ccc1OCC)C(NCCCn(ccn2)c2)=O,0.0
8217,CO-ADD:0257945,14.52,N1(c2ccccc2C)C(=O)\C(=C\c(cc(n3c4ccccc4)C)c3C)\C(NC1=S)=O,0.0
8218,CO-ADD:0258095,14.52,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc(c4Br)OCc5cccc(cccc6)c56)c4)\C1=O,0.0
8219,CO-ADD:0257911,14.52,c1(NC(Cc(ccc(c2OC)OC)c2)=O)n(c3ccccc3)ncc1c4ccc(c(OC)c4)OC,0.0
8220,CO-ADD:0257656,14.52,N1(c2cccc(C(O)=O)c2C)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
8221,CO-ADD:0257577,14.52,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(NCCOc2cccc(C)c2)=O,0.0
8222,CO-ADD:0259704,14.52,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc(c34)OCO3)c4)\N2C5CCCCC5,0.0
8223,CO-ADD:0258627,14.51,C1(C(OCCOc2ccccc2)=O)=C(C)NC(NC1c3cccc(Oc4ccccc4)c3)=O,0.0
8224,CO-ADD:0215664,14.51,n(c1ccc(cc1)C)(c2c(c3C(C)=O)cc(O)cc2)c3C,0.0
8225,CO-ADD:0215688,14.51,C(=O)(COc1ccc(cc1OC)\C=N\c(cc2)ccc2c3ccc(cc3)\N=C\c(ccc(c4OC)OCC(=O)N(CC5)CCO5)c4)N(CC6)CCO6,0.0
8226,CO-ADD:0257652,14.51,N1(c2c(C)cc(cc2C)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(c4)cc(cc4C(O)=O)C(O)=O,0.0
8227,CO-ADD:0258408,14.51,c1(NC(CC)=O)nnc(Cc(cc2)ccc2Cl)s1,0.0
8228,CO-ADD:0277574,14.51,C(C#N)(C(c1ccc(cc1)CC)CC(N2)=O)=C2SCC(OCC)=O,0.0
8229,CO-ADD:0258081,14.51,n(c1c(n2)cccc1)(c3N)c2c(c(c4cccc(Cl)c4)c3C#N)C#N,0.0
8230,CO-ADD:0258876,14.51,N1(c2ccc(cc2)Sc(cc3)ccc3N)C(=O)c4c(cc(cc4)N)C1=O,0.0
8231,CO-ADD:0257906,14.51,C(F)(F)(F)c(ccc(n1)N\N=C\c2ccccc2)c1,0.0
8232,CO-ADD:0258114,14.51,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c3cccc(cccc4)c34)\N2,0.0
8233,CO-ADD:0257299,14.51,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4cccc(cccc5)c45)c3)\N2,0.0
8234,CO-ADD:0257883,14.51,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N(CC2)CCN2Cc3ccccc3,0.0
8235,CO-ADD:0258099,14.51,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc4c5cc(Cl)ccc5Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
8236,CO-ADD:0215736,14.51,s1c(c2ccccc2)nnc1NC(=O)c3cccc(OC)c3,0.0
8237,CO-ADD:0215327,14.51,c1(C#N)c(c2ccc(cc2)C)c3c(nc1SCc(ccc(c4Cl)Cl)c4)CCCC3,0.0
8238,CO-ADD:0278584,14.51,C1=C(NCc(ccc(c2Cl)Cl)c2)C3(OC1=O)CCCCC3,0.0
8239,CO-ADD:0284746,14.51,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(ccc(c3OC)OCC=C)c3)\C1=O)C,0.0
8240,CO-ADD:0278545,14.51,n1(C(C)=O)ncc2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-],0.0
8241,CO-ADD:0258862,14.51,n12c(S\C(=C\c(ccc3c4c(Cl)ccc(c4)[N+](=O)[O-])o3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
8242,CO-ADD:0277849,14.51,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(ccc(c5OC)OCc6ccccc6C#N)c5)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
8243,CO-ADD:0284516,14.51,c(c(c1c(C2=O)cccc1)on3)(c2ccc4C(=O)Nc(cc5)ccc5Br)c34,0.0
8244,CO-ADD:0284934,14.51,N1(c(cc2)ccc2C(=O)N\N=C/c3cccs3)Cc4c(cccc4)C1,0.0
8245,CO-ADD:0277868,14.51,N(C1CCOC(C)(C)C1)(C(=S)NC(=C23)c4c(CC25CCCC5)cccc4)C3=O,0.0
8246,CO-ADD:0278636,14.5,N1(C2c3ccc(cc3)OC)C(S\C(=C\c4ccccc4)\C1=O)=NC(C)=C2C(C)=O,0.0
8247,CO-ADD:0283397,14.5,N12C(S\C(=C\c(cc(n3c4ccccc4)C)c3C)\C1=O)=NC(C)=C(C(C)=O)C2c5ccc(cc5OC)OC,0.0
8248,CO-ADD:0257574,14.5,N1(C2c3cccs3)C(S\C(=C\c(ccc4c(cccc5C(F)(F)F)c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
8249,CO-ADD:0257294,14.5,C(=C/c(ccc(c1OC)OCc2cccc(cccc3)c23)c1)(/C#N)\C#N,0.0
8250,CO-ADD:0215686,14.5,c1(ccc(\C=N\c(cc2)ccc2Oc(cc3)ccc3\N=C\c(ccc4[N+](=O)[O-])s4)s1)[N+](=O)[O-],0.0
8251,CO-ADD:0277602,14.5,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4OC)OCc5ccccc5Cl)c4)\C1=O,0.0
8252,CO-ADD:0258428,14.5,N1=C(c2ccc(cc2)C)S\C(=C/c3ccccc3OCC(OC)=O)\C1=O,0.0
8253,CO-ADD:0284333,14.5,c12n(nc(SCc3ccccc3)n1)c(c(C)c(C)n2)C,0.0
8254,CO-ADD:0284621,14.5,n1(cc(cn1)Cl)C(=O)c2ccccc2C,0.0
8255,CO-ADD:0278358,14.5,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc4sccn4)n2,0.0
8256,CO-ADD:0215084,14.5,N(/c(cc1)ccc1Oc(cc2)ccc2\N=C\c(ccc(c3OC)OCCCCC)c3)=C\c(ccc(c4OC)OCCCCC)c4,0.0
8257,CO-ADD:0259690,14.5,S(C)(=O)(=O)N(Cc(cc1)ccc1C(=O)N\N=C(/C2)\CCCC2)c3ccc(c(C)c3)C,0.0
8258,CO-ADD:0259714,14.5,N1(C2c3ccccc3)C(S\C(=C\c4cc(Cl)ccc4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
8259,CO-ADD:0259866,14.5,c1(c2c(sc1N)CCC2)C(=O)Nc(cc3)ccc3OC,0.0
8260,CO-ADD:0257457,14.5,N1(c(cc2)ccc2N(CC3)CCO3)C(c4ccc(c5c4)OCO5)N(N=C1C(C)=O)c6ccc(cc6)Cl,0.0
8261,CO-ADD:0279101,14.5,n1(c(cc(C)cc2C)c2n3)c3S\C(=C\c4cccs4)\C1=O,0.0
8262,CO-ADD:0215156,14.49,C(=O)(Nc(cc1)ccc1F)Nc(cc2)ccc2C(OCCCCCC)=O,0.0
8263,CO-ADD:0257990,14.49,N(C(=O)COC(=O)C(C)NC(c1ccccc1)=O)(c2c3cccc2)c4c(S3)cccc4,0.0
8264,CO-ADD:0215836,14.49,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1Br)C(NCCO)=O,0.0
8265,CO-ADD:0284048,14.49,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(c(F)c3)OC)\N2CCCCCCO.Br,0.0
8266,CO-ADD:0260117,14.49,C(=N/c(cc1)ccc1F)(/SC=C2c3cc(C)ccc3C)\N2CCc4ccccc4.Br,0.0
8267,CO-ADD:0277390,14.49,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc3c(ccc(c4C(O)=O)Cl)c4)o3)\N2C5CCCCC5,0.0
8268,CO-ADD:0283404,14.49,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4c5c([nH]c4C)cccc5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
8269,CO-ADD:0259455,14.49,C(CSc1ccccn1)(=O)Nc(cc2)ccc2NC(CSc3ccccn3)=O,0.0
8270,CO-ADD:0260135,14.49,c1(c(C)oc(c2ccccc2)c1)C(=O)Nc3cccc(Oc4ccccc4)c3,0.0
8271,CO-ADD:0257735,14.49,c1(Nc2ccccc2C)sc(c3n1)CCC3,0.0
8272,CO-ADD:0277447,14.49,N(C(=O)CS1)(C2c3ccc(cc3OC)OC)C1=NC(C)=C2C(C)=O,0.0
8273,CO-ADD:0278972,14.49,S(c1ccccc1)(=O)(=O)N(CC(=O)NCC(OC)=O)c2ccc(cc2OC)OC,0.0
8274,CO-ADD:0215343,14.49,n(c1N)c(SCc2c(cccc2F)Cl)c(c(SC)n1)C#N,0.0
8275,CO-ADD:0215087,14.49,C(=O)(N\N=C(/C)\CCCCCCCCC)C(=O)N\N=C(\C)/CCCCCCCCC,0.0
8276,CO-ADD:0278676,14.49,N1(Cc(cc2)ccc2Cl)\C(=N\c(cccc3C(F)(F)F)c3)\SC=C1c4ccc(c(F)c4)OC.Br,0.0
8277,CO-ADD:0259691,14.49,C1(C)(OCCCO1)CC(=O)N\N=C\c(ccc(c2OCC)OCc(cc3)ccc3Cl)c2,0.0
8278,CO-ADD:0260021,14.49,N(C(=O)\C(\S1)=C/c2cccc(Cl)c2)=C1N(CC3)CCO3,0.0
8279,CO-ADD:0277679,14.48,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c(cc3C)c(F)cc3C(C)=O,0.0
8280,CO-ADD:0283859,14.48,C1(C2c3ccccc3OC(C)C)=C(CC(c4ccccc4)CC1=O)NC(C)=C2C#N,0.0
8281,CO-ADD:0257582,14.48,N(=C\c(cc1)ccn1)/NC(CCC(=O)NC2CCCCC2)=O,0.0
8282,CO-ADD:0279192,14.48,N1(c2ccc(cc2)OCCC)C(=O)CC(N(Cc(cc3)ccc3OC)C(CC)=O)C1=O,0.0
8283,CO-ADD:0259727,14.48,c(\C=N\NC(=O)c(cccn1)c1)(cc(OC)c(c2)O)c2Br,0.0
8284,CO-ADD:0278190,14.48,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2C(O)=O)\C(N1c3ccc(c(C)c3)C)=O,0.0
8285,CO-ADD:0278019,14.48,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)NC(C)=O)n1,0.0
8286,CO-ADD:0215710,14.48,S(=O)(=O)(c1ccc(cc1)Br)Nc(cc2)ccn2,0.0
8287,CO-ADD:0215311,14.48,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)Nc3ccccc3)c(cccc4[N+](=O)[O-])c4,0.0
8288,CO-ADD:0258394,14.48,c1(C(C)=O)cc2c(cc1N)OCCO2,0.0
8289,CO-ADD:0257584,14.48,N(=C\c1cccc(cccc2)c12)/NC(CCC(=O)NC3CCCCC3)=O,0.0
8290,CO-ADD:0257344,14.48,c1(\C=N\Nc2ccccn2)cc(OC)ccc1O,0.0
8291,CO-ADD:0215119,14.48,C(=C1)(\C(=N/c(ccc(c2C)C)c2)\Oc(ccc(cccc3)c34)c14)c5sc(c6n5)cccc6,0.0
8292,CO-ADD:0215143,14.47,s1c(C(C)C)nnc1NC(CCl)=O,0.0
8293,CO-ADD:0277584,14.47,N1(c2ccccc2F)C(=O)C(CC1=O)S\C(\NC)=N\c(cc3)ccc3Br,0.0
8294,CO-ADD:0283880,14.47,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4ccc(cc4Cl)Cl,0.0
8295,CO-ADD:0259897,14.47,C(C(=O)c1ccc(cc1)C)(C2c3ccc(c(OC)c3)OC)=C(O)C(N2c4ccccc4)=O,0.0
8296,CO-ADD:0259682,14.47,C(=N\NC(CSc1nc(C)cc(C)n1)=O)(/c2c(N3)ccc(Br)c2)\C3=O,0.0
8297,CO-ADD:0278270,14.47,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(C4CCCCC4)=O)n1,0.0
8298,CO-ADD:0257780,14.47,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4ccccc4)c3)\N2,0.0
8299,CO-ADD:0257645,14.47,N1(c2ccccc2F)C(=O)C3C(C(CCC4)C4=C5C3CCC5)C1=O,0.0
8300,CO-ADD:0257893,14.47,C(=C\c(cc(OC)c(c1)OC)c1OC)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
8301,CO-ADD:0215109,14.47,N1(N\C=C(\C2=O)/C(=O)NC(=S)N2)C(=O)c(c3C1=O)cccc3,0.0
8302,CO-ADD:0215813,14.47,[N+](=O)([O-])c(ccc(c1NC(=O)C\C(\C)=N\NC(=O)C(NCCO)=O)C)c1,0.0
8303,CO-ADD:0215149,14.47,N(/c(cc1)ccc1\N=C\c(ccc(c2OC)OCC=C)c2)=C\c(ccc(c3OC)OCC=C)c3,0.0
8304,CO-ADD:0259977,14.46,N(c1ccccc1)(CC2)CCN2CC(=O)Nc3cccc(cccc4)c34,0.0
8305,CO-ADD:0257619,14.46,N1(C(=O)CCC1=O)c(ccc(c2C(=O)Nc3ccccc3Cl)Cl)c2,0.0
8306,CO-ADD:0258366,14.46,c1(Sc2ccc(\C=N\NC(=O)c3cccc(OC)c3)o2)sc4c(ccc(OCC)c4)n1,0.0
8307,CO-ADD:0278519,14.46,c1(nnc(C)s1)NC(=O)C(CC)SC2=NCCS2,0.0
8308,CO-ADD:0258887,14.46,c1(c(cccc1Cl)Cl)COc2cccc(c2)CNc3ccccc3,0.0
8309,CO-ADD:0258719,14.46,N1(C(c2ccccc2)CC(c3ccccc3)=N1)C(=N)SC(CC(N4c5cccc(Br)c5)=O)C4=O,0.0
8310,CO-ADD:0259215,14.46,c1(OC(N)=C(C2c(cccc3[N+](=O)[O-])c3)C#N)c2c(n[nH]1)CCC,0.0
8311,CO-ADD:0257918,14.46,N1(CC(CC1C(=O)Nc(c2)cc(cc2C)C)O)C(=O)Oc3ccccc3,0.0
8312,CO-ADD:0278958,14.46,S(=O)(=O)(c1ccc(cc1)N=NN(C)C)NC(CCC(=O)[O-])=O.[K+],0.0
8313,CO-ADD:0258306,14.46,c1(SC)nc(c2n1CC(=O)Nc3c(C)cccc3C)cccc2,0.0
8314,CO-ADD:0258969,14.46,c1(cc(Cl)ccc1\N=C(\CC(C)(C)CC2=O)/C2)[N+](=O)[O-],0.0
8315,CO-ADD:0258441,14.45,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)NCc(ccc(c34)OCO3)c4,0.0
8316,CO-ADD:0258457,14.45,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccccc3)c4sc(c5c4C(OC)=O)CCCC5,0.0
8317,CO-ADD:0259918,14.45,C(c1ccc(c(OCC)c1)OCc2ccccc2)(NC(Cc3ccccc3)=O)NC(Cc4ccccc4)=O,0.0
8318,CO-ADD:0258986,14.45,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c(ccc(c4C(O)=O)Cl)c4)o3,0.0
8319,CO-ADD:0259010,14.45,S(CCCCCCCCC)(=O)(=O)Nc1cc(C)ccn1,0.0
8320,CO-ADD:0278394,14.45,c1(nnc(SCC(=O)Nc2c(Br)cc(cn2)Br)s1)NS(C)(=O)=O,0.0
8321,CO-ADD:0277429,14.45,C(C)(C(=O)NCc1ccco1)(CC(c(c23)cccc2)c(c45)cccc4)C35,0.0
8322,CO-ADD:0258355,14.45,C(=C/c(ccc(c1OC)O)c1)(/C2=O)\C(c3ccc(cc3)Cl)=NO2,0.0
8323,CO-ADD:0277658,14.45,c12c(nnc(SCC(=O)Nc3sc(c4c3C(OCC)=O)CCC4)n1)c5c(cccc5)n2CCc6ccccc6,0.0
8324,CO-ADD:0277386,14.45,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc(I)c(c3[N+](=O)[O-])O)c3)\N2C4CCCCC4,0.0
8325,CO-ADD:0257760,14.45,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(cc4)ccc4OCC(C)C)\C1=O,0.0
8326,CO-ADD:0215719,14.45,s1c(c2ccccc2)nnc1NC(=O)c3cccc(I)c3,0.0
8327,CO-ADD:0257599,14.45,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(ccc(c3OCC)OCc4cccc(cccc5)c45)c3)\N2,0.0
8328,CO-ADD:0259871,14.45,C1(Nn(cnn2)c2)=NC3(Cc4c1cccc4)CCCCC3,0.0
8329,CO-ADD:0258466,14.45,c1(sc(cc1C(OCC)=O)CC)NC(=O)c(ccc(c23)OCO2)c3,0.0
8330,CO-ADD:0259677,14.44,n1(cnc2c1ncnc2N(CC3)CCO3)C(C(Cl)(Cl)Cl)NC(=O)c4ccco4,0.0
8331,CO-ADD:0258400,14.44,N1(c2ccc(c(Cl)c2)C)C(=O)C(C(C1=O)C34CO)C(c(c35)cccc5)c(c46)cccc6,0.0
8332,CO-ADD:0277562,14.44,N1(c(cccc2C3=CS\C(=N/c(cc4)ccc4F)\N3Cc5ccccc5)c2)C(=O)c(c6C1=O)cccc6.Br,0.0
8333,CO-ADD:0258385,14.44,N(Cc(cccn1)c1)(C(=O)C(C2C3(Br)c(c45)cccc4)C5(Br)c(c36)cccc6)C2=O,0.0
8334,CO-ADD:0259718,14.44,c1(cc(ccc1N(CC2)CCN2C)[N+](=O)[O-])C(=O)Nc(cc3)ccc3OC,0.0
8335,CO-ADD:0259540,14.44,c1(nc(c(C(C)=O)s1)C)N2C(c(cc3)ccc3C(C)C)CC(c4ccc(cc4)F)=N2.Cl,0.0
8336,CO-ADD:0284201,14.44,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(=O)N\N=C\CCc3ccccc3,0.0
8337,CO-ADD:0260136,14.44,S(c1ccccc1)(=O)(=O)N(c2ccccc2C)CC(NCCc(cc3)ccc3Cl)=O,0.0
8338,CO-ADD:0284923,14.44,c12c(nnc(SCC(=O)NC(SCC3=O)=N3)n1)c4c(cccc4)n2CCC,0.0
8339,CO-ADD:0284916,14.44,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Br)=C(O)C(N2CO)=O,0.0
8340,CO-ADD:0278443,14.44,C1(C#N)=C(SC)NC(=O)CC1c2ccccc2OC,0.0
8341,CO-ADD:0284452,14.44,n12c(S\C(=C/c3cccc(Cl)c3)\C1=O)nnc2c4ccccc4,0.0
8342,CO-ADD:0259830,14.44,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3Cl)C2c4cc(OC)ccc4OC,0.0
8343,CO-ADD:0278521,14.44,C(=N/c(cc1)ccc1F)(/SC=C2c(cc3)ccc3[N+](=O)[O-])\N2CCCCCCO,0.0
8344,CO-ADD:0258652,14.44,N1(c(cccc2C(F)(F)F)c2)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
8345,CO-ADD:0288595,14.44,C(=O)(OC(C)(C)C)N(CC1)CCC1n2c(C)cnc2c(ccc3)cc3,0.0
8346,CO-ADD:0288931,14.44,n12c(cc(C)n1)c3c(Oc(cccn4)c24)ccc(C)c3,0.0
8347,CO-ADD:0289136,14.44,c(C(=O)Nc1cccc(C)c1)(nnc2C(OCC)=O)s2,0.0
8348,CO-ADD:0288772,14.44,C12(CCN(CC1)C(c(c3)oc([N+](=O)[O-])c3)=O)CC(CCO2)OCc4ccc(F)cc4,0.0
8349,CO-ADD:0285722,14.44,N1(C(=O)\C(\SC1=N)=C/c2cccc(OC)c2)c3nonc3N,0.0
8350,CO-ADD:0285730,14.43,n1(C)cnnc1SCC(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
8351,CO-ADD:0285050,14.43,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c3ccco3,0.0
8352,CO-ADD:0291800,14.43,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc4c5cccc(Cl)c5Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
8353,CO-ADD:0288573,14.43,C1(CCN(C1)C(OC(C)(C)C)=O)Cc2ncc(C)n2CCOC,0.0
8354,CO-ADD:0288765,14.43,C12(CCN(CC1)C(c(c3)oc([N+](=O)[O-])c3)=O)CC(CCO2)Cc4nc(C5CC5)no4,0.0
8355,CO-ADD:0288589,14.43,C(=O)(OC(C)(C)C)N1CCC(Cc2ncc(C)n2CCCOC)CC1,0.0
8356,CO-ADD:0291128,14.43,N(c1ncccn1)(C2c3cccc(F)c3)C(=O)C(=C2C(c4ccccc4)=O)O,0.0
8357,CO-ADD:0290347,14.43,S(c1ccccc1)(=O)(=O)N(CC(OC)=O)c2cc(C)cc(C)c2,0.0
8358,CO-ADD:0290340,14.43,C(CN(CC1)CCO1)#CCCCCCCC#CCCCCCCC#CCN(CC2)CCO2,0.0
8359,CO-ADD:0291076,14.43,N(CC(=O)N(CC)CC)(c(cccc1)c1C2(O)CC(=O)c3ccc(cc3)Br)C2=O,0.0
8360,CO-ADD:0291952,14.43,C1(C(=O)c2ccc(cc2)Br)=C(O)C(NC1c3ccccc3Cl)=O,0.0
8361,CO-ADD:0286806,14.43,n12c(S\C(=C/c(c(cccc3)c3n4Cc5ccccc5F)c4)\C1=O)nc(cc(C)c(C)c6)c26,0.0
8362,CO-ADD:0299989,14.43,N(CN1CCC(CC1)C)(c2c(N3CN4CCC(CC4)C)cccc2)C3=S,0.0
8363,CO-ADD:0288681,14.43,C(=O)(OC(C)(C)C)N(CCC1c(n(CCC)c2C)nc2)CC1,0.0
8364,CO-ADD:0285704,14.43,C(=N/c1cccc(Cl)c1)(/SC=C2c3ccc(c(Br)c3)OC)\N2CCc4ccccc4.Br,0.0
8365,CO-ADD:0290769,14.43,C1([N+](=O)[O-])=C(N(CC2)CCN2C=O)c3c(cccc3)OC1=O,0.0
8366,CO-ADD:0291153,14.43,c1(C2c(cccc3[N+](=O)[O-])c3)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
8367,CO-ADD:0290283,14.43,N1(C2c3cc(Br)c(cc3OC)OC)C(S\C(=C/c4c(OCC)ccc(cccc5)c45)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
8368,CO-ADD:0290285,14.43,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c5ccccc5O)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
8369,CO-ADD:0291093,14.42,C1(=C(CC(C)(C)CC1=O)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCc(cc5)ccc5Cl,0.0
8370,CO-ADD:0299918,14.42,C(=C(C)NC(=C1C#N)SCC(=O)Nc2sccn2)(C(=O)Nc3ccccc3OC)C1c4ccccc4,0.0
8371,CO-ADD:0300049,14.42,c(C(=O)Nc(cc1)ccc1OCC)(sc(c23)nc(c(C#N)c2c4ccc(c(OC)c4)OC)N)c3N,0.0
8372,CO-ADD:0290351,14.42,N1(\N=C(/C)\c2ccc(cc2)Cl)C(=O)CN(Cc3ccccc3)C1c4ccccc4Cl,0.0
8373,CO-ADD:0285965,14.42,O=C(NNC(C1=CC=NC=C1)=O)[C@@H]([C@@H]2[C@H]3CC=C2)C[C@@H]3C(O)=O,0.0
8374,CO-ADD:0285977,14.42,O=C(C1=CC=NC=C1)N/N=C2C3C[C@H]4C([C@@H]/24)C3C(O)=O,0.0
8375,CO-ADD:0288800,14.42,c(nc1)(nnc1C)Cc2cc(F)ccc2,0.0
8376,CO-ADD:0287498,14.42,C(/C(OCC)=O)(\C(N)=O)=C(/O)\C(\Nc(cc1)ccc1C)=C\C(c2ccccc2)=O,0.0
8377,CO-ADD:0288617,14.42,C(OC(C)(C)C)(N(CC1n2c(C)cnc2c(ccc3)cn3)C1)=O,0.0
8378,CO-ADD:0285964,14.42,O=C(NNC(C1=CC=NC=C1)=O)[C@@H]([C@@H]2[C@H]3CCC2)C[C@@H]3C(O)=O,0.0
8379,CO-ADD:0290361,14.42,n(c1ccc(cc1)F)(c2C)c(C)cc2\C=C(/C#N)\C(=O)Nc3ccccc3,0.0
8380,CO-ADD:0287171,14.42,c1(NC(=S)NC(=O)c2ccccc2F)sc(c(CCN3CC)c1C(N)=O)C3,0.0
8381,CO-ADD:0287772,14.42,c1(ccc(cc1Cl)Cl)C(=O)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
8382,CO-ADD:0286241,14.42,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
8383,CO-ADD:0291065,14.42,c1(sc(c2n1)cccc2)NC(=O)c3cc(C)ccc3C(O)=O,0.0
8384,CO-ADD:0290354,14.42,C(C#N)(C(c1ccc(c2c1)OCO2)C3=C(N4c5ccccc5C#N)CC(C)(C)CC3=O)=C4N,0.0
8385,CO-ADD:0289058,14.42,c(C(=O)N1CCC(CC1)CC(O)=O)(nnc2C(=O)Nc(cc3)ccc3OC)s2,0.0
8386,CO-ADD:0289016,14.41,c1(C(=O)Nc(ccc(c2F)F)c2)sc(nn1)COc(cc3)ccc3C(O)=O,0.0
8387,CO-ADD:0290756,14.41,S(=O)(=O)(N(CC1)CCN1Cc2ccccc2)c3c(C)ccc(c3)[N+](=O)[O-],0.0
8388,CO-ADD:0291207,14.41,[N+](=O)([O-])c1c(OCC)ccc(c1)C(=O)Nc2scc(c3ccccc3)n2,0.0
8389,CO-ADD:0286973,14.41,C(/c1c(cccc1)CC2(C)C)(\N2)=C(/C(C)=NN3)\C3=O,0.0
8390,CO-ADD:0286997,14.41,C(=O)(Nc(cc1)ccc1F)Nc2cc(C)ccn2,0.0
8391,CO-ADD:0287155,14.41,c12c(ccc3c1OC(=O)C=C3C)O\C(=N/Nc(cc4)ccc4OC)\C2=O,0.0
8392,CO-ADD:0288754,14.41,c(C)(c1)n(CC2CCN(C(c3oc([N+](=O)[O-])cc3)=O)C2)c(n1)c4ccccc4,0.0
8393,CO-ADD:0289189,14.41,N1(C)CCC(CC1)CC(N)=N.Cl,0.0
8394,CO-ADD:0289145,14.41,N1(Cc(cc2)ccc2OC)C(COCC1C(O)=O)=O,0.0
8395,CO-ADD:0291381,14.41,c1(C(OCC)=O)c2c(n(c3ccccc3)c1CN4CCCCC4)cc(Br)c(O)c2CN(CC5)CCO5,0.0
8396,CO-ADD:0287741,14.41,c1(cc(ccc1N2CCc(cccc3)c23)C(F)(F)F)[N+](=O)[O-],0.0
8397,CO-ADD:0288616,14.41,C(=O)(OC(C)(C)C)N(CC1Cn2c(C)cnc2c3cccnc3)C1,0.0
8398,CO-ADD:0279025,14.41,C(=C/c(ccc(c1OCC)OCc(cc2)ccc2F)c1)(/C(=O)NC(N3)=S)\C3=O,0.0
8399,CO-ADD:0257639,14.41,N1(c2ccc(c(Cl)c2)C)C(=O)C3C(C(CCC4)C4=C5C3CCC5)C1=O,0.0
8400,CO-ADD:0257880,14.41,n(Cc1ccccc1)(c2c(c3\C=N\c(cccc4C(O)=O)c4)cccc2)c3,0.0
8401,CO-ADD:0258996,14.41,[N+](=O)([O-])c1cccc(\C=N\N=C(/SCC2=O)\N2)c1O,0.0
8402,CO-ADD:0260180,14.4,C(=C\c(cc(I)c(c1[N+](=O)[O-])OC)c1)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
8403,CO-ADD:0284163,14.4,N1(c2cccc(Br)c2)C(=O)\C(\C=C1c3ccccc3)=C\c(ccc4c(ccc(c5Cl)Cl)c5)o4,0.0
8404,CO-ADD:0259305,14.4,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Br)c4sc(c5c4C#N)CCCCC5,0.0
8405,CO-ADD:0283304,14.4,C(=O)(OC(C)(C)C)C([H])(c1ccc(nn1)Cl)C(=O)OC(C)(C)C,0.0
8406,CO-ADD:0257191,14.4,c12c(nnc(SCC(=O)NC(SCC3=O)=N3)n1)c4c(cccc4)n2C,0.0
8407,CO-ADD:0258458,14.4,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(C(C)(C)C)s3)c4sc(c5c4C#N)CCCCC5,0.0
8408,CO-ADD:0258420,14.4,C(=O)(Nc(cc1)ccc1Br)c2ccccc2C(=O)c3[nH]ccn3,0.0
8409,CO-ADD:0257528,14.4,N(C(=O)NN=C1SCc(cc2)ccc2[N+](=O)[O-])C1=O,0.0
8410,CO-ADD:0277753,14.4,C(F)(F)(F)Oc(cc1)ccc1NC(COc2ccc(cc2Cl)Cl)=O,0.0
8411,CO-ADD:0278220,14.4,n1c(c2ccc(cc2)Cl)cc(N)n1c3ccc(cc3)C,0.0
8412,CO-ADD:0259503,14.4,C(CCC(O)=O)(=O)NCc(cc1)ccc1CNC(CCC(O)=O)=O,0.0
8413,CO-ADD:0258078,14.4,c1(\N=C\c(cc2)ccc2OCc3c(cccc3Cl)F)c(c4ccc(c(OCC)c4)O)nc(cccc5)n15,0.0
8414,CO-ADD:0283587,14.4,c(cc(cccc1N2N=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S)c15)cc5,0.0
8415,CO-ADD:0284445,14.4,N1(C(=O)Cc(cc2)ccc2OC)N=C(CC1(O)c(cccn3)c3)C,0.0
8416,CO-ADD:0284865,14.4,N1(c2ccccc2C#N)C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(\c5ccccc5)/c6ccccc6,0.0
8417,CO-ADD:0284074,14.39,N12C(S\C(=C\c(ccc3c4ccc(cc4)Br)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cccc(cccc6)c56,0.0
8418,CO-ADD:0258462,14.39,N1(CCC#N)C(C)(O)C(OC1=O)(C)CC\C=C(/C)\C,0.0
8419,CO-ADD:0259023,14.39,c(cc1)ccc1N(C(c2ccccc2)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5)C3=S,0.0
8420,CO-ADD:0257358,14.39,c1(N2CCC(CC2)Cc3ccccc3)nc4c(nc1N5CCC(CC5)Cc6ccccc6)cccc4,0.0
8421,CO-ADD:0259432,14.39,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)C(CC)Sc4nc(C)cc(C)n4,0.0
8422,CO-ADD:0259401,14.39,c1(N(CC)CC)nc(Nc2ccccc2)nc(Nc3cc(C)ccc3C)n1.Cl,0.0
8423,CO-ADD:0258118,14.39,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(ccc(c3Br)OC)c3)\N2,0.0
8424,CO-ADD:0286187,14.39,C12(SCC(=O)N1c(cc3)ccc3C(C)C)c4c(NC2=O)cccc4,0.0
8425,CO-ADD:0287742,14.39,N(\C(=C/c1ccccc1OC(=O)c2ccc(cc2)Br)\C(O3)=O)=C3c4ccc(cc4)C,0.0
8426,CO-ADD:0287758,14.39,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(CC1=O)S\C(\NC)=N/c(ccc(c3C(F)(F)F)Cl)c3,0.0
8427,CO-ADD:0288038,14.39,C1(C(OCC)=O)(C(F)(F)F)N=C(c2ccccc2F)OC(N(C)C)=N1,0.0
8428,CO-ADD:0285702,14.39,N(=Nc(cc1)ccc1C(O)=O)N2CCCCCC2,0.0
8429,CO-ADD:0288703,14.39,N(CCC(C1)CCn(c2C)c(c3cnccc3)nc2)C1.Cl.Cl.Cl,0.0
8430,CO-ADD:0289336,14.39,n1c(CCN)onc1COC.Cl,0.0
8431,CO-ADD:0290947,14.39,c(NC(=O)c1cc(F)cc(F)c1)(s2)c(C(OCC)=O)c(c2C(=O)N(CC)CC)C,0.0
8432,CO-ADD:0291931,14.39,c1(oc(c2n1)ccc(c2)NC(=O)c3ccc(c4c3)cccc4)c5cc(Br)ccc5Cl,0.0
8433,CO-ADD:0291963,14.39,C12=C(C(Nc3c1cc(C)cc3C)(C)C)SN(c4ccc(cc4)OCC)C2=S,0.0
8434,CO-ADD:0291971,14.39,N1(C(C)CC(c(cccc2)c12)Nc3ccccc3)C(=O)c4ccccc4[N+](=O)[O-],0.0
8435,CO-ADD:0289213,14.39,n1c(C)onc1C(CC2)CCN2.Cl,0.0
8436,CO-ADD:0288441,14.39,c1(C(CCCN2)C2)ncc(C)n1Cc3ccccc3.Cl.Cl,0.0
8437,CO-ADD:0289275,14.39,C(=O)(c1cccc(c1)OCC(CCN2)CC2)NC3CC3.Cl,0.0
8438,CO-ADD:0289355,14.39,c1(C(=O)Nc2cccc(Cl)c2)nnc(C(CCCN3)C3)s1,0.0
8439,CO-ADD:0288896,14.38,c(n1CCC)(nc([N+](=O)[O-])c1C)CC2CCN(C(C(F)(F)F)=O)CC2,0.0
8440,CO-ADD:0288489,14.38,c1(C2CCCCN2)n(CCCOC)c(cn1)C.Cl.Cl,0.0
8441,CO-ADD:0288834,14.38,c(ccc1)c([N+](=O)[O-])c1CC(=O)NCC#C,0.0
8442,CO-ADD:0289333,14.38,n1c(CCNC)noc1COc2ccc(F)cc2F.Cl,0.0
8443,CO-ADD:0288874,14.38,c1(ncc(n1Cc(cc2Cl)ccc2F)C)c3oc([N+](=O)[O-])cc3,0.0
8444,CO-ADD:0289286,14.38,C(O)(C(CC1)CCN1)c2ccccc2,0.0
8445,CO-ADD:0289326,14.38,c1(C(=O)N2CCCC2)nn(c(CCN3Cc(ccc4C(O)=O)cc4)c1C3)C,0.0
8446,CO-ADD:0288892,14.38,c(C1CCNCC1)(n(CCC)c(c2[N+](=O)[O-])C)n2.Cl.Cl,0.0
8447,CO-ADD:0288477,14.38,c1(c(cccn2)c2)ncc(C)n1C(C3)CCN3.Cl.Cl.Cl,0.0
8448,CO-ADD:0289330,14.38,n1c(CCNC)noc1COc2cc(ccc2Cl)C.Cl,0.0
8449,CO-ADD:0299898,14.38,c1(cn[nH]n1)[N+](=O)[O-],0.0
8450,CO-ADD:0289244,14.38,n1c(CCNC)noc1C2CC2.Cl,0.0
8451,CO-ADD:0290627,14.38,C(C(C)=N)(C1c2ccccc2)=C(O)C(N1C)=O,0.0
8452,CO-ADD:0299686,14.37,N1(c(cc2)ccc2C(OCC)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cccc4C(O)=O)c4,0.0
8453,CO-ADD:0299694,14.37,c1(c2ccccc2C)nnn(Cc3ccc(cc3Cl)F)n1,0.0
8454,CO-ADD:0285464,14.37,C12(CC(OC1=O)COCCC(C)C)CC(OC2=O)(C)c3csc(Nc4ccccc4)n3,0.0
8455,CO-ADD:0289301,14.37,C1C(C#N)CCN(C(OC(C)(C)C)=O)C1,0.0
8456,CO-ADD:0299153,14.37,c1(NC(=O)C(C)Oc(cc2)ccc2F)sc(c3c1C(N)=O)CCC3,0.0
8457,CO-ADD:0285474,14.37,n1c2c(oc1c3ccccc3)ccc(c2)NCc(cccn4)c4,0.0
8458,CO-ADD:0292068,14.37,N1(c(cc2)c(C)cc2S(O)(=O)=O)N=C(CC1=O)C,0.0
8459,CO-ADD:0290494,14.37,c1(cc(Br)ccc1N)C(=O)N(CC2)CCN2C(=O)c3cc(Br)ccc3N,0.0
8460,CO-ADD:0290710,14.37,C1(C)(C(OCC)=O)\C(=N\Nc2ccccc2OC)\C(C(=O)N1c3ccccc3)=O,0.0
8461,CO-ADD:0290382,14.37,c1(C(=O)N(CC2)CCN2C)c(cc(OC)cc3)c3n(c4ccccc4)c1C.Cl,0.0
8462,CO-ADD:0289074,14.37,C(=O)(Nc(cc1OC)cc(c1OC)OC)N2CCC(CC2)CC(O)=O,0.0
8463,CO-ADD:0289040,14.37,c(ccc1)(cc1)NC(=O)c(c(c(CC2)n3C)CN2Cc(c4)ccc(C(=O)O)c4)n3,0.0
8464,CO-ADD:0288533,14.37,n(C(CC1)CCN1)(c(C)cn2)c2C.Cl.Cl,0.0
8465,CO-ADD:0288997,14.37,N1(OC)C(=O)c2c(Oc(cc(C(OC)=O)cn3)c13)cccc2,0.0
8466,CO-ADD:0285721,14.37,C1(OC(OC1C(Cl)(c2ccccc2)c3ccccc3)(C)C)C(Cl)(c4ccccc4)c5ccccc5,0.0
8467,CO-ADD:0288982,14.37,S1(=O)(=O)c2c(ccc(Cl)c2)Oc(nccn3)c3N1C(C)C,0.0
8468,CO-ADD:0290995,14.36,c1(SCCOc2cccc(C)c2)nc(c3n1CCC(O)=O)cccc3,0.0
8469,CO-ADD:0286221,14.36,[N+](=O)([O-])c1ccc(cc1)\C=N\Nc(cc2)ncc2C(F)(F)F,0.0
8470,CO-ADD:0287560,14.36,c1(C(O)=O)c(cccc1[N+](=O)[O-])C(=O)Nc2sccn2,0.0
8471,CO-ADD:0299152,14.36,n1(C)cnnc1SCc2ccc(cc2Cl)F,0.0
8472,CO-ADD:0299208,14.36,c1(C2c3ccc(cc3)F)c([nH]nc1c(cccc4[N+](=O)[O-])c4)OC(N)=C2C#N,0.0
8473,CO-ADD:0288598,14.36,C(N(CC(Cn1c(C)cnc1c(ccc2)cc2)C3)C3)(OC(C)(C)C)=O,0.0
8474,CO-ADD:0300081,14.36,c1(N2CCCCC2)nc(Cl)cc(N3CCCCC3)n1,0.0
8475,CO-ADD:0299861,14.36,[n+](C(CI)CS1)(c2c(o3)cccc2)c13.[I-],0.0
8476,CO-ADD:0290997,14.36,c1(NC(CCCOc2ccc(cc2Cl)Cl)=O)cc(on1)C,0.0
8477,CO-ADD:0290958,14.36,S(=O)(=O)(Oc1cccc(ccc(C)n2)c12)c3ccc(c(cccc4)c34)Cl,0.0
8478,CO-ADD:0290487,14.36,c1(S(CCC)(=O)=O)c(C(N)=O)n2c(c3c(cc2)cccc3)c1S(CCC)(=O)=O,0.0
8479,CO-ADD:0285196,14.36,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCCCC2)C(=O)Nc4ccccn4,0.0
8480,CO-ADD:0290729,14.36,S(=O)(=O)(N(CC1)CCN1c2ccc(cc2)F)c3c(OC)ccc(I)c3,0.0
8481,CO-ADD:0290621,14.36,c1(c(C)on2)c2CC(C)(O)C(C(C)=O)C1c3ccc(cc3)Cl,0.0
8482,CO-ADD:0287694,14.36,C1(CC(C)Nc(cccc2)c12)N(c3ccccc3)C(=O)c4cccs4,0.0
8483,CO-ADD:0286653,14.36,c1(NC(CSc(cc2)ccc2C)=O)nnc(CCS(=O)(=O)c3ccc(cc3)Br)s1,0.0
8484,CO-ADD:0286526,14.36,N1(c2ccc(cc2)OCCC)C(=O)CC(N3CCNC3=S)C1=O,0.0
8485,CO-ADD:0286839,14.36,C(=N/NC(=O)C(C)(C)O)(/c1c(N2C)cccc1)\C2=O,0.0
8486,CO-ADD:0286903,14.36,C12(c(cccc3)c3C(c4ccc(cc4)Br)(c5ccc(cc5)Br)S1)N(c6ccc(cc6)Br)N=C(C(OCC)=O)S2,0.0
8487,CO-ADD:0291038,14.36,c1(CN(C)Cc2oc(nn2)C)oc(nn1)C,0.0
8488,CO-ADD:0286259,14.35,N1(c2ccc(c(Cl)c2)C)C(=O)CC(N(CC3)CCN3c4cccc(Cl)c4)C1=O,0.0
8489,CO-ADD:0291735,14.35,c12c(n(c(SC\C=C(\C)/Cl)n1)C\C=C\C)C(NC(=O)N2C)=O,0.0
8490,CO-ADD:0291783,14.35,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc4c(ccc(c5[N+](=O)[O-])Cl)c5)o4)\C1=O)=NC(C)=C2C(C)=O,0.0
8491,CO-ADD:0292014,14.35,N1(C(=O)c2ccccc2[N+](=O)[O-])C(O)(c3ccc(cc3)CCCCC)CC(C(F)(F)F)=N1,0.0
8492,CO-ADD:0292054,14.35,n(c(c1ccc(c(C)c1)C)c2)c3c(c2C(=O)Nc4ccccc4Cl)cccc3Cl,0.0
8493,CO-ADD:0286685,14.35,N1(c2c(OC)ccc(C(C)=O)c2)C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(/C)\C,0.0
8494,CO-ADD:0286373,14.35,N12C(NC(=O)c(c3c(CCCCC3)s4)c14)=C(C(c5ccc(cc5)OC)C6=C2CC(C)(C)CC6=O)C#N,0.0
8495,CO-ADD:0285376,14.35,C12(C#N)C(C#N)(C3=C(CCCC3)NC1c4ccccc4)C(N5C2=NC(c6ccccc6)NC5c7ccccc7)=O,0.0
8496,CO-ADD:0285392,14.35,c(C#N)(c1c2ccc(cc2)OC)c(SCC(N)=O)nc(N)c1C#N,0.0
8497,CO-ADD:0286912,14.35,c12c(nnc(SC(CC)C(=O)Nc(cc3)ccc3OC(F)(F)F)n1)c4c(cccc4)n2Cc5ccccc5,0.0
8498,CO-ADD:0299336,14.35,C1(C)=CC(=O)Oc(ccc(O)c2)c12,0.0
8499,CO-ADD:0290943,14.35,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C/c(cccn4)c4)\C1=O)=NC(c5ccccc5)=C2C(OCC)=O,0.0
8500,CO-ADD:0291752,14.35,N1(C2c3ccccc3Cl)C(S\C(=C/c(ccc4c(ccc(c5Cl)Cl)c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
8501,CO-ADD:0300024,14.35,C1(=Cc(cccc2OC)c2OC1=O)c3oc(c4n3)cccc4,0.0
8502,CO-ADD:0291937,14.35,S(=O)(=O)(N(c1ccccc1)CC(=O)Nc(cccn2)c2)c3ccccc3[N+](=O)[O-],0.0
8503,CO-ADD:0291803,14.35,S1(CCC(CNC(=O)Oc2ccccc2)C1)(=O)=O,0.0
8504,CO-ADD:0287801,14.34,c1(C2c3ccccc3OC)c(n[nH]c1C(F)(F)F)OC(N)=C2C#N,0.0
8505,CO-ADD:0287809,14.34,c1(C2c(cc3OC)cc(c3OC)OC)c(n[nH]c1c4ccccc4)OC(N)=C2C#N,0.0
8506,CO-ADD:0287833,14.34,C(O1)(\C(\C2)=C\c(cc3)ccc3Cl)=C(CN2CCC)C(C(C#N)=C1N)c4ccc(cc4)Cl,0.0
8507,CO-ADD:0287849,14.34,N1(CC(=O)CC(OCC)=O)C(=O)c(c2C1=O)cccc2,0.0
8508,CO-ADD:0300088,14.34,c1(SCCOc2ccccc2OC)n(C)c3c(cccc3)n1,0.0
8509,CO-ADD:0288564,14.34,N(C1)(C(OC(C)(C)C)=O)CCCC1Cc(n(c2C)C(C)C)nc2,0.0
8510,CO-ADD:0288788,14.34,c1cc(c2nnc(C)cn2)ccn1,0.0
8511,CO-ADD:0290677,14.34,C(N(C)C)(=CNC(N1)=O)C1=O,0.0
8512,CO-ADD:0290717,14.34,C1(=Cc(cccc2CC=C)c2OC1=O)C(=O)Nc3cccc(C(=O)c(c4C5=O)cccc4)c35,0.0
8513,CO-ADD:0292069,14.34,S(=O)(=O)(c(cccc1S(=O)(=O)N(CC2)CCO2)c1)N(CC3)CCO3,0.0
8514,CO-ADD:0291758,14.34,C12(CC3CC(CC(C3)C1)C2)C(=O)O\N=C(/N)\c4ccc(cc4)C,0.0
8515,CO-ADD:0286172,14.34,N1(c2ccc(c(Cl)c2)Cl)C(c3ccccc3OCc4c(cccc4Cl)Cl)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
8516,CO-ADD:0291376,14.33,N(CN(CC1)CCC12OCCO2)(N=C(N3C)c4cccc(OC)c4)C3=S,0.0
8517,CO-ADD:0288047,14.33,c(C(OCC)=O)(c(cc(O)cc1)c1n2CC(C)C)c2C,0.0
8518,CO-ADD:0300040,14.33,C(C#N)(C(c1ccccc1OCC)C2C(OCC)=O)=C(SCC(=O)Nc(cc3)ccc3Br)NC2=O,0.0
8519,CO-ADD:0291798,14.33,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc4c5ccc(cc5)Br)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
8520,CO-ADD:0285219,14.33,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)SCC(N)C(OCC)=O.Cl,0.0
8521,CO-ADD:0290944,14.33,N1(C2c3cccc(OC)c3)C(S\C(=C/c(ccc4N5CCCCC5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
8522,CO-ADD:0290810,14.33,c1(OC(N)=C(C2c3ccccc3OCc4cccc(Br)c4)C#N)c2c(n[nH]1)C,0.0
8523,CO-ADD:0290763,14.33,C1(c2ccccc2)(Nc(cc3)ccc3SC#N)C(=O)c(c4C1=O)cccc4,0.0
8524,CO-ADD:0291004,14.33,N1=C(SCCOc(cc2)ccc2C)Nc(c3C1=O)cccc3,0.0
8525,CO-ADD:0290916,14.33,N1(CCc2ccccc2)C(=O)c3c(NC1C(C)c4ccccc4)cccc3,0.0
8526,CO-ADD:0300017,14.33,c1(ncn2Cc(cc(OCO3)c3c4)c4Cl)c2C(N(C)C(=O)N1C)=O,0.0
8527,CO-ADD:0286925,14.33,n1nc(c2n1C\C(\C)=N\NC(=O)c3ccc(cc3)Br)cccc2,0.0
8528,CO-ADD:0286096,14.33,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)S\C(\NCc3ccccc3)=N/c(cc4)ccc4F,0.0
8529,CO-ADD:0289096,14.33,c1(C(OCC)=O)c(C)c(c(C)[nH]1)CNCc2ccco2,0.0
8530,CO-ADD:0287746,14.33,C(=C/c(cc1)cc(c1OS(=O)(=O)c2ccc(cc2)F)OC)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
8531,CO-ADD:0291347,14.33,n1(c(cc2)ccc2C(N)=O)nnnc1SCC(=O)Nc(ccc(c3C)C)c3,0.0
8532,CO-ADD:0285133,14.32,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C/c(ccc3c4ccccc4[N+](=O)[O-])o3)\C1=O)C,0.0
8533,CO-ADD:0290393,14.32,c1(cc(Br)ccc1NC(CSCc(cc2)ccc2Cl)=O)C(O)=O,0.0
8534,CO-ADD:0292089,14.32,N1(CCO)C(=O)c2c(c(ccc3N4CCCCC4)C1=O)c3ccc2,0.0
8535,CO-ADD:0287497,14.32,N(CC(C)OC1c2c3c(cccc3)cc(cccc4)c24)(C(c5ccccc5)=O)O1,0.0
8536,CO-ADD:0291001,14.32,c1(SCCOc2ccc(cc2C(C)C)C)[nH]c(c3n1)cccc3,0.0
8537,CO-ADD:0299830,14.32,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(cc3OC)cc(c3O)OC)\C1=O)=O,0.0
8538,CO-ADD:0299854,14.32,N1(Cc(cc2)ccc2F)C(=O)NC(\C(=C/c(cc3OC)cc(c3O)Br)\C1=O)=O,0.0
8539,CO-ADD:0291227,14.32,C(/C(=O)NN1c2ccc(c(Cl)c2)Cl)(\C1=O)=C(/c3c(N4)ccc(Br)c3)\C4=O,0.0
8540,CO-ADD:0290875,14.32,C1(c2ccc(cc2)Cl)(Cc3ccccc3F)C(=O)c4c(cccc4)C1=O,0.0
8541,CO-ADD:0285167,14.32,C12=C(c3c(cccc3)CC14CCCCC4)N=C(SCC(=O)c5ccc(cc5)Cl)NC2=O,0.0
8542,CO-ADD:0290419,14.31,S(=O)(=O)([O-])c(ccc(c1P(c2ccccc2)(c3ccccc3)=O)O)c1.[Na+],0.0
8543,CO-ADD:0285160,14.31,c1(CO)nc(c2n1N)cccc2,0.0
8544,CO-ADD:0291524,14.31,C(/c(cc(OCC)cc1)c12)(\C(=S)C(N2C(=O)COc(cc3)ccc3F)(C)C)=C(\S4)/SC(=C4C(OC)=O)C(OC)=O,0.0
8545,CO-ADD:0285605,14.31,c(C#N)(c(\C(\C#N)=C\c1cccc(c1)OCc2ccccc2F)nn3c4ccccc4)c3N,0.0
8546,CO-ADD:0285061,14.31,N1(c2ccccc2)C(=O)C(CC1=O)S\C(\NCc(ccc(c34)OCO3)c4)=N/c(cc5)ccc5OCC,0.0
8547,CO-ADD:0285726,14.31,c1(SCC(=O)Nc(cc2)ccc2OC(F)(F)Cl)nc(C)cc(C)n1,0.0
8548,CO-ADD:0285118,14.31,N(C(c1ccccc1)=O)C(c2cccc(Br)c2)NC(c3ccccc3)=O,0.0
8549,CO-ADD:0291407,14.31,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)Nc3ccccc3Oc4ccccc4,0.0
8550,CO-ADD:0291649,14.31,c1(Nc(cc2)ccc2I)nc(Cl)nc(Cl)n1,0.0
8551,CO-ADD:0299419,14.31,N1(c2cccc(OC(C)=O)c2)C(=O)c(c3C1=O)cccc3N,0.0
8552,CO-ADD:0299619,14.31,C1(C)(C)C(=O)O[C@@H]([C@@H](C(C)C)C1=O)c2ccc(cc2Cl)Cl,0.0
8553,CO-ADD:0300099,14.31,c1(C2(CCCCC2)N(CC3)CCO3)nnnn1c4ccc(cc4)OC,0.0
8554,CO-ADD:0289298,14.31,N1(C(CC2)CCN2C(=O)OC(C)(C)C)C(=S)NN=C1c(cccn3)c3,0.0
8555,CO-ADD:0287828,14.3,C(=N/c1ccccc1)(/SC=C2c3ccc(c(Cl)c3)Cl)\N2CCO.Br,0.0
8556,CO-ADD:0291689,14.3,c1(NC(c2ccccc2)=O)sc3c(ccc(CN(CO4)CC=C)c34)c1C(OCC)=O,0.0
8557,CO-ADD:0289099,14.3,c(C(=O)Nc(ccc(OCO1)c12)c2)(nnc3C(OCC)=O)s3,0.0
8558,CO-ADD:0289014,14.3,c1(C(=O)Nc2ccccc2)sc(nn1)CCC(O)=O,0.0
8559,CO-ADD:0289053,14.3,n1c(CCN(C)C(=O)c2ccc(cc2)C)noc1c(ccc3C(O)=O)cc3,0.0
8560,CO-ADD:0299428,14.3,N1(c2cc(C)ccc2C)C(=O)c3c(cc(cc3)Oc(cc4)ccc4N)C1=O,0.0
8561,CO-ADD:0291922,14.3,N1(C2c3ccc(cc3)C)C(S\C(=C/c(ccc4c5cc(Cl)ccc5Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
8562,CO-ADD:0291946,14.3,N1(c2ccccc2)C(=O)\C(=C\c(cc(n3c4ccc(c(C)c4)I)C)c3C)\C(NC1=S)=O,0.0
8563,CO-ADD:0287180,14.3,C1(C2c(ccs3)c3)=C(c4c(cccc4)NC1=O)OC(N)=C2C#N.C(=O)O,0.0
8564,CO-ADD:0287860,14.3,S(=O)(=O)(N1CCCCCC1)c(ccc(c2C(=O)Nc(cc3)ccc3Br)C)c2,0.0
8565,CO-ADD:0287524,14.3,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4c5c([nH]c4)cccc5)cccc3,0.0
8566,CO-ADD:0291623,14.3,n1(c2c(n3)cccc2)c3c(c(CCCC4)c4c1Nc5ccccc5)C#N,0.0
8567,CO-ADD:0289076,14.29,c1(C(=O)N2CCC(CC2)C(O)=O)nn(c(CCN3C(=O)C4CC4)c1C3)C,0.0
8568,CO-ADD:0299366,14.29,C(=C/c(c(cccc1)c1n2Cc3c(cccc3F)Cl)c2)(/C(=O)NC(N4)=S)\C4=O,0.0
8569,CO-ADD:0291746,14.29,C1(c2ccc(cc2C)C)=C\C(\C(=O)O1)=C\c3ccccn3,0.0
8570,CO-ADD:0285318,14.29,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)C)=C(O)C(N2c(cccc4C(F)(F)F)c4)=O,0.0
8571,CO-ADD:0290666,14.29,C1(=O)OC2(C(=C)N1CCCCCCCC)CCCCC2,0.0
8572,CO-ADD:0285137,14.29,N1(c2ccc(c(C)c2)C)C(=O)\C(\SC1=N)=C\c(ccc(c3OC)OC)c3,0.0
8573,CO-ADD:0290502,14.29,c(C#N)(c(\C(\C#N)=C\c(ccc1c2ccccc2F)o1)nn3c4ccccc4)c3N,0.0
8574,CO-ADD:0287559,14.29,c1(C(OC)=O)c(N)scc1c2ccccc2,0.0
8575,CO-ADD:0290528,14.29,c12c(non1)nc(Nc(cc3)ccc3C)c(NC4C(C5)CC(CC5C6)CC46)n2,0.0
8576,CO-ADD:0290376,14.29,C(C(c1ccccc1)=O)(C2c3ccccc3[N+](=O)[O-])=C(O)C(N2c(cccc4C(F)(F)F)c4)=O,0.0
8577,CO-ADD:0287430,14.29,C(c1c2cccc1)(=CC3=O)c(c(N3C)ccc4N(CC5)CCO5)c4C2=O,0.0
8578,CO-ADD:0287478,14.29,C1(C2c(cc3)ccc3N(C)C)=C(c4c(cccc4)OC1c(cc5)ccc5N(C)C)Nc6n2ncn6,0.0
8579,CO-ADD:0291196,14.29,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)N4CCCC4,0.0
8580,CO-ADD:0299246,14.29,N1(c2ccc(c(Cl)c2)Cl)C(=O)CC(N(CC3)CCC3(C(N)=O)N4CCCCC4)C1=O,0.0
8581,CO-ADD:0299321,14.29,c1(OC(N)=C(C2c3ccccc3OC)C#N)c2c(n[nH]1)C,0.0
8582,CO-ADD:0299380,14.29,n1(c2ccc(cc2)F)nnnc1SCC#N,0.0
8583,CO-ADD:0287206,14.29,C(C#N)(C(c1ccc(cc1Cl)Cl)C2=C(N3c4ccc(cc4F)Br)CC(C)(C)CC2=O)=C3N,0.0
8584,CO-ADD:0287536,14.29,C(C#N)(C(c1ccc(cc1)Br)C2=C(N3c4ccc(cc4F)Br)CCCC2=O)=C3N,0.0
8585,CO-ADD:0291645,14.28,C(c1ccccc1)(=O)N(CC2)CCN2CC(O)COc3cccc(cccc4)c34.Cl,0.0
8586,CO-ADD:0291653,14.28,c1(NC(C)=O)nc(CC(C)C)cc(c2cccc(Br)c2)c1C#N,0.0
8587,CO-ADD:0299912,14.28,S(NCCCCC(=O)NCc1ccco1)(c2ccccc2)(=O)=O,0.0
8588,CO-ADD:0286999,14.28,C(=O)(Nc(cc1)ccc1F)Nc2ccc(cn2)C,0.0
8589,CO-ADD:0286809,14.28,S(=O)(=O)(c1ccc(cc1)Br)Nc(c(C)cc(c2C(C)C)O)c2,0.0
8590,CO-ADD:0300000,14.28,N1=C(SCc2ccccc2)NC(C(c3ccccc3)C1=O)=O,0.0
8591,CO-ADD:0299242,14.28,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCC3(O)c4ccc(cc4)Br)C1=O,0.0
8592,CO-ADD:0299514,14.28,c(cccn1)(\C(\C=CC2=O)=N/Nc3ccccc3Cl)c12,0.0
8593,CO-ADD:0299300,14.28,N1(c2c(C)cccc2Cl)C(=O)c3c(cc(cc3)C)C1=O,0.0
8594,CO-ADD:0291321,14.28,[N+](=O)([O-])c(cccc1C2CC(=O)Nc(ccc(cccc3)c34)c24)c1,0.0
8595,CO-ADD:0291323,14.28,N1(NC(=O)c(cccn2)c2)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(ccc(c4C5=O)C(N5NC(=O)c(cccn6)c6)=O)c4,0.0
8596,CO-ADD:0299463,14.28,C(=O)(Nc(cc1)ccc1Cc(cc2)ccn2)C3CC3,0.0
8597,CO-ADD:0299279,14.28,c1(cc2c(cc1NC(C)=O)OCCO2)C(=O)c3ccc(cc3)Br,0.0
8598,CO-ADD:0291823,14.28,C1(=COc(c2C1=O)cc(cc2C)OC)c3scc(C)n3,0.0
8599,CO-ADD:0291831,14.28,C(/c1c(N2CCCCCCC)cccc1)(\C2=O)=C(\SC(N3NC(=O)c4ccccc4C)=S)/C3=O,0.0
8600,CO-ADD:0287128,14.28,c1(nonc1\C(\c2ccccc2)=N\O)\C(\c3ccccc3)=N\O,0.0
8601,CO-ADD:0286780,14.28,N1(C(CC)=O)c2c([C@]([H])(CN(C)CC3)[C@]13[H])cc(C)cc2.Cl,0.0
8602,CO-ADD:0289341,14.28,n1c(COCc2ccccc2)onc1C(CCCN3)C3.Cl,0.0
8603,CO-ADD:0287286,14.28,C(=C\c1cccc(OC)c1OC)(/C(=O)NC(N2)=S)\C2=O,0.0
8604,CO-ADD:0287334,14.28,C12=C(C(N(c3ccccc3)C1=O)c4ccc(cc4)Br)\C(\C(=O)N2c5ccccc5)=C\c(cc6)ccc6F,0.0
8605,CO-ADD:0287192,14.28,C1(c(c(ccc2)NC3=O)c2C(=O)c(cccc4)c14)=C3C#N,0.0
8606,CO-ADD:0292187,14.28,c12c(n(c(Br)n1)C)C(NC(=O)N2C)=O,0.0
8607,CO-ADD:0288591,14.27,C(N(CC1)CCC1Cc2ncc(C)n2Cc3ccccc3)(=O)OC(C)(C)C,0.0
8608,CO-ADD:0288983,14.27,S1(=O)(=O)c2c(ccc(Cl)c2)Oc(cc(cc3)C#N)c3N1C(C)C,0.0
8609,CO-ADD:0223178,14.27,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(ccc(c2C)C)c2)=O)c3ccco3,0.0
8610,CO-ADD:0288768,14.27,C12(CCN(CC1)C(=O)c3oc([N+](=O)[O-])cc3)CC(CCO2)N(C4CC4)C(=O)C,0.0
8611,CO-ADD:0230573,14.27,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)NCc2ccco2,0.0
8612,CO-ADD:0230515,14.27,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2C)CCSc(cc3)ccc3Cl,0.0
8613,CO-ADD:0290642,14.27,S(=O)(=O)(c1ccc(cc1)N=NN2CCCCCC2)NC(C)=O,0.0
8614,CO-ADD:0287658,14.27,c1(C(=O)N(C)C)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
8615,CO-ADD:0287666,14.27,c1(nc(C)cc2C)n2c(c(C#N)c1C#N)OCC,0.0
8616,CO-ADD:0286147,14.27,S(=O)(=O)(c1ccc(cc1)CCNC(C)=O)N2CCc(cccc3)c23,0.0
8617,CO-ADD:0299524,14.27,N1(CN(CC2)CCN2Cc3ccccc3)c(cccc4)c4\C(=N\c(cc5)ccc5Br)\C1=O,0.0
8618,CO-ADD:0286141,14.27,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(NCCOc4cccc(cccc5)c45)=O,0.0
8619,CO-ADD:0286647,14.27,c1(SCC(=O)Nc(cc2)ccc2F)n(c3ccccc3)c(c(c4ccccc4)n1)c5ccccc5,0.0
8620,CO-ADD:0291448,14.27,c1(C(=O)Nc(cc2)ccc2Br)c3c(sc1NC(=O)C(F)(F)F)CC(C)CC3,0.0
8621,CO-ADD:0291857,14.27,C(/SC(N1CC(O)=O)=S)(\C1=O)=C(\Sc(c23)cccc2)/N3CC,0.0
8622,CO-ADD:0291585,14.26,C(C#N)(C(CC(N1)=O)c(ccc(c2OCc3ccccc3)OC)c2)=C1SCC(=O)Nc(cc4)ccc4Br,0.0
8623,CO-ADD:0287704,14.26,[N+](=O)([O-])c(cc1)ccc1N(CCCN2C)CC2,0.0
8624,CO-ADD:0291345,14.26,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCN3c4ccccc4Cl)C1=O,0.0
8625,CO-ADD:0286191,14.26,c1(O2)c(c([nH]n1)C)C(C(C#N)=C2N)C(C)C,0.0
8626,CO-ADD:0292139,14.26,N(C(=O)c1cccc(OCC)c1)c2sccn2,0.0
8627,CO-ADD:0287370,14.26,C(Cc1cccs1)(CCc(cc2)ccn2)(C(=O)N(C)C(N3C)=O)C3=O,0.0
8628,CO-ADD:0287949,14.26,C1(C#N)(C#N)[C@H](c2ccc(cc2)Cl)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5cccs5,0.0
8629,CO-ADD:0287333,14.26,C1(=C(C)N(N(c2ccccc2)C1=O)C)N(C3c4ccccc4)C(=O)C(=C3C(=O)c5ccc(cc5)C)O,0.0
8630,CO-ADD:0287327,14.26,c1(c2O)c(ccc2C(=O)Nc(cc3)ccc3Cl)C(=O)c(c4C1=O)cccc4,0.0
8631,CO-ADD:0299260,14.26,C1(C(F)(F)F)(C(F)(F)F)C=C(C)N(C(N)=C1C#N)c(cc2)ccc2C(N)=O,0.0
8632,CO-ADD:0287738,14.26,c12n(cnn1N)c(nn2)SCC(=O)Nc3nncs3,0.0
8633,CO-ADD:0288044,14.26,n(c1ccccc1OC)(c2c(c3C(OCC)=O)cc(O)c(cccc4)c24)c3C,0.0
8634,CO-ADD:0287343,14.26,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5cccs5)C6=C2CCCC6=O)C#N,0.0
8635,CO-ADD:0287232,14.25,c1(C(C(C)CC)=O)c(C)[nH]c(C(OCC)=O)c1C,0.0
8636,CO-ADD:0287633,14.25,C(/C#N)(=C/c1ccccc1C)\C(=O)Nc2ccccc2,0.0
8637,CO-ADD:0287654,14.25,C1(c2ccc(cc2)OC)(N3CCCCC3)Oc(cccc4)c4C(C#Cc5ccccc5)=C1C,0.0
8638,CO-ADD:0287225,14.25,c1(C(=O)N(CC2)CCO2)cn(nc1C34CC5CC(CC(C5)C3)C4)c6ccccc6,0.0
8639,CO-ADD:0287906,14.25,c(NC(=O)c1nn(cc1Br)C)(s2)c(C(OC)=O)c(c2C(=O)N(CC)CC)C,0.0
8640,CO-ADD:0285228,14.25,N1(Cc2c(cccc2Cl)Cl)c(cccc3)c3\C(=N/NC(NC)=S)\C1=O,0.0
8641,CO-ADD:0284964,14.25,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)Cl)C3c5ccccc5OCC,0.0
8642,CO-ADD:0285286,14.25,N1(CN2CCCC2)N=C(OC1=S)c3ccccc3,0.0
8643,CO-ADD:0285627,14.25,C(/SC(N1CC(O)=O)=S)(\C1=O)=C(\Sc(c23)cccc2)/N3CCCS(=O)(=O)[O-].[Na+],0.0
8644,CO-ADD:0285643,14.25,n1(c(ccc2C(F)(F)F)nnc1c(cccc3C(F)(F)F)c3)c2,0.0
8645,CO-ADD:0285856,14.25,N1(C(=O)COc(cc2)ccc2Cl)c3c(cccc3)C(CC1(C)C)(C)c4ccccc4,0.0
8646,CO-ADD:0287902,14.25,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccccc1F)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
8647,CO-ADD:0286439,14.25,c1(Nc2ccccc2)nc(N\N=C\c(cc(OCO3)c3c4)c4Br)nc(NC)n1.Cl,0.0
8648,CO-ADD:0286447,14.25,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Br)=C(Nc4ccccc4)C(N2c5ccccc5)=O,0.0
8649,CO-ADD:0291593,14.25,C1(C(OCC)=O)=C(C)NC(NC1c2cccc(Oc3ccccc3)c2)=O,0.0
8650,CO-ADD:0292114,14.25,C1([N+](=O)[O-])C(=O)N(C(C)=N1)c2ccccc2,0.0
8651,CO-ADD:0292116,14.24,n1c(c(ccc(c2[N+](=O)[O-])OC)c2)[nH]c(c3ccccc3)c1c4ccccc4,0.0
8652,CO-ADD:0291492,14.24,c(C(F)(F)F)(c(Cl)c(n1CC(=O)Nc(cc2OC)cc(c2OC)OC)C)n1,0.0
8653,CO-ADD:0292164,14.24,c1(nnc(CC)s1)NC(C2CCCCC2)=O,0.0
8654,CO-ADD:0299371,14.24,C(=C/c(cc1OC)cc(c1OCC(OCC)=O)Br)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
8655,CO-ADD:0287345,14.24,N12C(S\C(=C\c3cccc(O)c3)\C1=O)=NC(C)=C(C(C)=O)C2c4c(OC)ccc(cccc5)c45,0.0
8656,CO-ADD:0287282,14.24,c12c(ncnc1NC3CCCCC3)c4c(cccc4)o2.Cl,0.0
8657,CO-ADD:0287691,14.24,N1(C(Cc2ccccc2)C(=O)Oc(ccc(c34)NC(C=C3C)(C)C)c4)C(=O)c(c5C1=O)cccc5,0.0
8658,CO-ADD:0286649,14.24,N1(C2c3ccccc3)C(S\C(=C\c(ccc(c4OC)OCc(cc5)ccc5F)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
8659,CO-ADD:0286513,14.24,S(=O)(=O)(c1ccc(cc1)N\C=C\C(=O)c2ccc(c(OC)c2)OC)Nc3cc(OC)nc(OC)n3,0.0
8660,CO-ADD:0299341,14.24,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2)ccc2N3CCCC3,0.0
8661,CO-ADD:0291692,14.24,c1(NC(=O)c(cc2)ccc2[N+](=O)[O-])sc3c(cccc3NC(=O)c(cc4)ccc4[N+](=O)[O-])c1C(OCC)=O,0.0
8662,CO-ADD:0230670,14.24,C(COc1ccc(cc1Br)C)(=O)N\N=C(/C)\CC(NCC)=O,0.0
8663,CO-ADD:0223121,14.24,c1(c(\C=N\NC(=O)c(ccc(n2)C)c2)ccc(OC(C)=O)c1OC)[N+](=O)[O-],0.0
8664,CO-ADD:0287900,14.24,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccco1)Nc2sc(c3c2C#N)CCCC3,0.0
8665,CO-ADD:0287924,14.24,C1(=C2NCCCC)c(c(NC2=O)ccc3)c3C(=O)c(cccc4)c14,0.0
8666,CO-ADD:0287302,14.24,c1(c2c(sc1NC(COc3ccccc3)=O)CCC2)C(=O)Nc(cc4)ccc4OCC,0.0
8667,CO-ADD:0292149,14.24,C(=S)(Nc1c(Br)cc(cn1)Br)NC(=O)c2ccc(cc2)C,0.0
8668,CO-ADD:0287740,14.24,c1(SC(C)C(OCC)=O)nnnn1c2ccccc2,0.0
8669,CO-ADD:0291551,14.23,C12=C(C(CC3)CCN13)NC(=S)NC2c4ccc(cc4Cl)Cl,0.0
8670,CO-ADD:0285620,14.23,C1(c2ccc(cc2)Cl)(CC(=O)NC(c3ccccc3)c4ccccc4)C(=O)c(c5C1=O)cccc5,0.0
8671,CO-ADD:0285269,14.23,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N4CCCC4,0.0
8672,CO-ADD:0284986,14.23,C(/SC=C1c2ccccc2)(=N\c3c(OC)cc(c(OC)c3)Cl)\N1CC.Br,0.0
8673,CO-ADD:0286714,14.23,n1(c(cc2)ccc2C(O)=O)nnnc1SCC(=O)NC(C)(C)C,0.0
8674,CO-ADD:0291258,14.23,N1=C(CC(NCCO)=O)c2c(cccc2)C(=O)N1,0.0
8675,CO-ADD:0299845,14.23,N1(c2ccccc2)C(=O)NC(\C(=C/c3ccc(C)o3)\C1=O)=O,0.0
8676,CO-ADD:0287340,14.23,c1(onc(c2ccc(cc2)F)c1)c3cc(C)ccc3O,0.0
8677,CO-ADD:0287652,14.23,c12c(nnc(SCC(=O)Nc3ncccn3)n1)c(c4n2C(C)C)cccc4,0.0
8678,CO-ADD:0286408,14.23,n(c1c(CCC1)cc2C#N)c2SCc(cc3)ccc3Br,0.0
8679,CO-ADD:0286450,14.23,C1(N2CC[Se]1)=C(C#N)C(C(C#N)C2=O)(C)C,0.0
8680,CO-ADD:0292121,14.23,c1(oc(c2n1)cccn2)c3cc(ccc3Cl)NC(=O)c4cccc(OCCCC)c4,0.0
8681,CO-ADD:0285846,14.23,N1(c2c(cccc2)C(CC1(C)C)(C)c3ccc(cc3)CC)C(=O)c4ccc(cc4Cl)Cl,0.0
8682,CO-ADD:0299218,14.23,c1(NC(=O)Nc(cc2)ccc2Cl)sc(c3c1C(OC)=O)CCCC3,0.0
8683,CO-ADD:0290343,14.23,C(CN(CC)CC)#CC(CC)OC(C)=O.Cl,0.0
8684,CO-ADD:0299707,14.23,n1c(N2CCC(CC2)Cc3ccccc3)c(Nc(ccc(c45)OCO4)c5)nc(non6)c16,0.0
8685,CO-ADD:0299667,14.23,c12c(ccc(C(O)=O)c1NCCCOC(C)=O)C(=O)c(c3C2=O)cccc3,0.0
8686,CO-ADD:0299637,14.23,c1(cc(C#N)c(cc1Oc(cc2)ccc2Br)C#N)N(CC3)CCO3,0.0
8687,CO-ADD:0286842,14.23,N12C(NC(=O)c(c3c(CCCCC3)s4)c14)=C(C(c(cccn5)c5)C6=C2CCCC6=O)C#N,0.0
8688,CO-ADD:0285352,14.23,C(/SSC1=S)(=N/C(/c2ccccc2)=N/c3ccccc3)\N1c4ccccc4,0.0
8689,CO-ADD:0285870,14.23,C12=C(C=C(C)NC1=S)\C(\OC2=O)=C\c(ccc3c4ccc(cc4)Br)o3.Cl.Cl,0.0
8690,CO-ADD:0284959,14.22,C(=N\c1cccc(cccc2)c12)(/S\C(\C3=O)=C/c4ccc(cc4OC)OC)\N3,0.0
8691,CO-ADD:0285255,14.22,S(=O)(=O)(c1ccc(cc1)C)N(Cc(cc2)ccc2Cl)c3ccccc3C(=O)N\N=C/c(cc4)ccc4OC(C5)CS5,0.0
8692,CO-ADD:0299164,14.22,n1c(N(CC2)CCO2)nc(nc1N3CCC(CC3)Cc4ccccc4)NCc5ccco5,0.0
8693,CO-ADD:0299206,14.22,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c(cc3)cc(c3OC(=O)N(CC4)CCO4)OC,0.0
8694,CO-ADD:0285489,14.22,C(C(=O)c1ccc(cc1)Br)(C2c3ccc(cc3)OC)=C(O)C(N2CCCCCC(O)=O)=O,0.0
8695,CO-ADD:0228650,14.22,n1(nnc(C)c1C(=O)N\N=C\c2c(O)ccc(cccc3)c23)c4nonc4N,0.0
8696,CO-ADD:0228608,14.22,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCN3C(=O)CN4CCCC4)C1=O,0.0
8697,CO-ADD:0289080,14.22,c(C(=O)Nc(cc1)ccc1C)(nnc2C(OCC)=O)s2,0.0
8698,CO-ADD:0290622,14.22,c1(SCC2COc(c3O2)cccc3)[nH]c(c4n1)cccc4,0.0
8699,CO-ADD:0299194,14.22,N(CC1)(CCN1)Cc(cc2)ccc2Cl.Cl,0.0
8700,CO-ADD:0285437,14.22,N(c1ccccn1)(C2c3ccc(cc3)C)C(=O)C(=C2C(C)=O)O,0.0
8701,CO-ADD:0288506,14.22,n(C1CCCCC1)(c(C)cn2)c2CCN.Cl.Cl,0.0
8702,CO-ADD:0287972,14.22,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)CC1c3ccc(c(Cl)c3)Cl,0.0
8703,CO-ADD:0291040,14.22,n1(c2c(nn1)cccc2)C(=O)c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3Cl,0.0
8704,CO-ADD:0288624,14.22,C(=O)(OC(C)(C)C)N(C1)CC(CC1)Cn2c(C)cnc2C(CCO3)CC3,0.0
8705,CO-ADD:0288722,14.22,c1cc(cc(c2ccco2)c1)NC(=O)C(=S)N\N=C\c3ccc([N+](=O)[O-])o3,0.0
8706,CO-ADD:0284975,14.22,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)Cl)C3c5cc(OC)c(cc5Br)OC,0.0
8707,CO-ADD:0223788,14.22,[N+](=O)([O-])c1ccccc1NC(=O)c2ccccc2OC,0.0
8708,CO-ADD:0228215,14.22,N1(OC(N(c2ccc(c(Cl)c2)Cl)C1=O)=O)C3C(C)(C)N(C(=O)N3c4ccc(c(Cl)c4)Cl)CC(C)C,0.0
8709,CO-ADD:0285288,14.22,N1(CN2CCCCCC2)C(=O)\C(\SC1=S)=C\c(cc3)ccc3C,0.0
8710,CO-ADD:0285673,14.22,C(O)(COc(cc1)ccc1N)=O,0.0
8711,CO-ADD:0223136,14.22,c1(cc(\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)cc(OC)c1O)[N+](=O)[O-],0.0
8712,CO-ADD:0290629,14.22,c12c(ncnc1Nc(cc3)ccc3F)c4c(cccc4)o2,0.0
8713,CO-ADD:0299635,14.22,C(NC(C)=O)(C(F)(F)F)(C(F)(F)F)Nc1sccn1,0.0
8714,CO-ADD:0299636,14.21,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(ccc(c4Cl)Cl)c4,0.0
8715,CO-ADD:0287130,14.21,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Nc3cccc(F)c3)n1c4cccc(F)c4,0.0
8716,CO-ADD:0287202,14.21,c1(c2ccccc2)[nH]c(c3c1C(=O)CSc4nc(C)cc(C)n4)cccc3,0.0
8718,CO-ADD:0287442,14.21,C(C#N)(C1c2ccc(cc2)Br)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(ccc(c4[N+](=O)[O-])F)c4,0.0
8719,CO-ADD:0286601,14.21,C(/C#N)(=C\c1cccc(Br)c1)\C(=O)Nc(cccc2C(F)(F)F)c2,0.0
8720,CO-ADD:0291190,14.21,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)NC(C)(C)C,0.0
8721,CO-ADD:0290822,14.21,n1c(ccc(C#N)c1SCc2c(cccc2Cl)F)c3cccs3,0.0
8722,CO-ADD:0287521,14.21,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCS2,0.0
8723,CO-ADD:0287451,14.2,C(F)(C(F)(F)F)(C(=O)Nc1cccc(C)n1)OC(F)(F)C(F)(F)C(F)(F)F,0.0
8724,CO-ADD:0287475,14.2,[N+](=O)([O-])\N=C(/N)\N\N=C\c(cc1)cc(c1Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)OC,0.0
8725,CO-ADD:0287582,14.2,N(C(=O)CSc(nnc1NC(=O)CN(CC2)CCO2)s1)(c3c4cccc3)c5c(S4)cccc5,0.0
8726,CO-ADD:0287594,14.2,c(c1c([nH]2)cccc1)(C3)c2CCN3C(=O)c4ccccc4[N+](=O)[O-],0.0
8727,CO-ADD:0286171,14.2,N1(c2ccc(cc2)Cl)C(c3ccccc3OCc(cc4)ccc4Cl)N(N=C1C(C)=O)c5ccccc5,0.0
8728,CO-ADD:0287847,14.2,c1(OC(N)=C(C2c(cccc3[N+](=O)[O-])c3)C#N)c2c(n[nH]1)COC,0.0
8729,CO-ADD:0287191,14.2,C(C(OC)=O)(=C(C)NC(=C1C#N)SCC(=O)C23CC(CC4C2)CC(C4)C3)C1c5cccs5,0.0
8730,CO-ADD:0287439,14.2,N(CN(CC1)CCO1)(c(cccc2)c2C34OCCCO3)C4=O,0.0
8731,CO-ADD:0290778,14.2,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C/c(cc3Br)cc(c3OC)Br,0.0
8732,CO-ADD:0299299,14.2,N1(c2c(C)cccc2Cl)C(=O)c3c(cc(cc3)Br)C1=O,0.0
8733,CO-ADD:0299499,14.2,[N+](=O)([O-])c1ccc(cc1)\C=N\Nc2cccc(Cl)c2Cl,0.0
8734,CO-ADD:0287824,14.2,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)Oc4c2c(C)[nH]n4,0.0
8735,CO-ADD:0291505,14.2,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(=O)Nc(ccc(c4Cl)Cl)c4)c1Cl,0.0
8736,CO-ADD:0287179,14.2,c1(C2c3cc(Br)ccc3F)c(OC(N)=C2C#N)n(nc1C(F)(F)F)c4ccccc4,0.0
8737,CO-ADD:0291540,14.2,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Oc(ccc(c23)NC(C=C2C)(C)C)c3,0.0
8738,CO-ADD:0291564,14.2,C1(c2sc(c3n2)cccc3)=C(C(F)(F)F)Oc(cc(O)c(CCC)c4)c4C1=O,0.0
8739,CO-ADD:0291598,14.2,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(=O)NCC(C)C)c1Cl,0.0
8740,CO-ADD:0291359,14.2,c1(c(O)ccc(cccc2)c12)C3SCc4c(cc(c(C)c4)C)CS3,0.0
8741,CO-ADD:0287428,14.2,C(C)(NN=C1C(OC)=O)(C2=O)C1C(N2c3ccc(c(C)c3)C)=O,0.0
8742,CO-ADD:0287149,14.19,c1(ccc(cc1NC(CSCc2ccccc2)=O)Cl)C(O)=O,0.0
8743,CO-ADD:0286393,14.19,C(C#N)(C(CC(N1)=O)c2ccc(c(OC)c2)O)=C1SCC(OCc3ccccc3)=O,0.0
8744,CO-ADD:0228451,14.19,N1(c2ccc(cc2)OC)C(=O)\C(=C\c(c3c([nH]4)cccc3)c4)\C(NC1=S)=O,0.0
8745,CO-ADD:0228616,14.19,n1c(c2ccccc2)csc1Nc(ccc(c3C)C)c3.Br,0.0
8746,CO-ADD:0287026,14.19,S(=O)(=O)(N(C)Cc1ccccc1)c2[nH]ncn2,0.0
8747,CO-ADD:0299730,14.19,c1(ccc(c(cccn2)c12)NCCCN(CC3)CCO3)[N+](=O)[O-],0.0
8748,CO-ADD:0285550,14.19,c1(c(NCc2ccco2)oc(c3ccc(cc3)C)n1)S(c4ccccc4)(=O)=O,0.0
8749,CO-ADD:0299726,14.19,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccc(cc2)Br)N(CC3)CCO3,0.0
8750,CO-ADD:0299742,14.19,c1(c2)c(cc(OC)c2NC(=O)c3ccccc3SCc(cc4)ccc4F)c5c(cccc5)o1,0.0
8751,CO-ADD:0285411,14.18,C1(C(N)=O)=C(C)NC(=S)NC1c2ccccc2,0.0
8752,CO-ADD:0287788,14.18,C(C#N)(C1c(cccn2)c2)=C(N)OC(CC(c3ccccc3)CC4=O)=C14,0.0
8753,CO-ADD:0286368,14.18,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3OC)\N2CCc(ccc(c4OC)OC)c4)N5CCCC5.Br,0.0
8754,CO-ADD:0286677,14.18,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCCC2)C(=O)N4CCCCCC4,0.0
8755,CO-ADD:0291923,14.18,N1(c2ccc(cc2)OC(C)=O)C(=O)c3c(c(ccc4[N+](=O)[O-])C1=O)c4ccc3,0.0
8756,CO-ADD:0228718,14.18,c(cc(ccc(c1)C)c1n2)(c23)\C(=N/C4CCCCC4)\c5c3cccc5,0.0
8757,CO-ADD:0230064,14.18,P(O)(=O)(Oc1ccccc1)Oc2ccccc2.NC3CCCCC3,0.0
8758,CO-ADD:0223185,14.18,c1(c(OC)cc(c(\C=N\NC(COc(cc2)ccc2Cl)=O)c1)OC)[N+](=O)[O-],0.0
8759,CO-ADD:0287918,14.18,c1(c(C)nn(c2ccccc2)c1Cl)C3C(C#N)=C(N)OC(CCC)=C3C(OCC)=O,0.0
8760,CO-ADD:0287935,14.18,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc(OC)c(c3)O)c3Br,0.0
8761,CO-ADD:0228110,14.18,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(CNc3cccc(cccc4)c34)=O,0.0
8762,CO-ADD:0228831,14.18,c1(N\N=C\c2cccc(I)c2)[nH]nnn1,0.0
8763,CO-ADD:0228509,14.18,C1(C#N)=C(N)Oc2c(c(O)ccc2\C=N/c3ccccc3)[C@H]1c4ccccc4[N+](=O)[O-],0.0
8764,CO-ADD:0228583,14.18,c1(c(ccc(c1)[N+](=O)[O-])N(C)Cc2ccccc2)[N+](=O)[O-],0.0
8765,CO-ADD:0230207,14.18,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(OCC)=O,0.0
8766,CO-ADD:0223608,14.18,C(F)(F)(F)c1cccc(c1)NC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
8767,CO-ADD:0286093,14.17,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)S\C(\NCc(cc3)ccc3OC)=N\c(cc4)ccc4Cl,0.0
8768,CO-ADD:0228734,14.17,c12c(cc(c3n1)cccc3)Cc(cccc4)c24,0.0
8769,CO-ADD:0287928,14.17,s1c(SCC(=O)Nc2ccccc2C(OC)=O)nnc1SCC(=O)Nc3ccccc3C(OC)=O,0.0
8770,CO-ADD:0228080,14.17,c1(\C=N\NC(CNc2cccc(cccc3)c23)=O)cc(I)ccc1O,0.0
8771,CO-ADD:0287013,14.17,c(c1C)([N+](=O)[O-])c(Cl)nc(Cl)c1C(=O)NC(NCCCC)=O,0.0
8772,CO-ADD:0285679,14.17,[N+](=O)([O-])c1cccc(ccc(C)n2)c12,0.0
8773,CO-ADD:0228771,14.17,[N+](=O)([O-])c(cc1)ccc1C(=O)OC2CCC(CC2)C,0.0
8774,CO-ADD:0286871,14.16,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc4c(C)cc(cc4C)C)c2)sc5c(ccc(N)c5)n1,0.0
8775,CO-ADD:0291340,14.16,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)C(Cc4ccccc4)N5C(=O)c(c6C5=O)cccc6)(C)C)=C1c(cc(OC)cc7)c37,0.0
8776,CO-ADD:0230694,14.16,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2Br)N(C(C)C)C(C)C,0.0
8777,CO-ADD:0286362,14.16,N(CC1)(C(C)(C)C)CC(C1(O)c2ccccc2)C,0.0
8778,CO-ADD:0285621,14.16,N(N=C(S1)CC)(C2=O)C1=NC(O)=C2C(c3ccc(cc3)Cl)C(=C(O)N=C4N5N=C(S4)CC)C5=O,0.0
8779,CO-ADD:0286189,14.16,C(C#N)(C(c1ccccc1)CC(N2)=O)=C2SCC=C,0.0
8780,CO-ADD:0288027,14.16,[nH]1cc(c(cc(OC)cc2Cl)c12)CC\N=C\c(cc3)ccc3N(C)C,0.0
8781,CO-ADD:0286754,14.16,N1(C(=O)c2ccc(cc2)Br)N=C(CC1(O)C(F)(F)F)CCCC,0.0
8782,CO-ADD:0286283,14.16,C1(c(cccc2)c2C3(c4ccccc4C)c5ccccc5C)(S3)N(c6ccc(cc6)C)N=C(C(OCC)=O)S1,0.0
8783,CO-ADD:0299796,14.16,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c(ccc(c3OC)OC)c3OC)\C1=O)=O,0.0
8784,CO-ADD:0223459,14.16,C(C#N)(C1C(C)C)=C(N)SC(N)=C1C#N,0.0
8785,CO-ADD:0228385,14.16,c1(C(O)=O)oc(c2c1NC(C)=O)ccc(Br)c2,0.0
8786,CO-ADD:0299376,14.16,n1c2c([nH]c1SCc(cc(OCO3)c3c4)c4Cl)cccc2C,0.0
8787,CO-ADD:0291824,14.16,C1(=NC2=O)C(C(N2)=O)=Nc(cc(C)c(C)c3)c3N1CC(O)C(O)C(CO)O,0.0
8788,CO-ADD:0285148,14.16,C(=C/c(c(cccc1)c1n2Cc3ccccc3F)c2)(/C4=O)\C(=O)N(C(=O)N4C)C,0.0
8789,CO-ADD:0223712,14.16,C(CSc1ccccc1)(=O)N\N=C\c(ccc(c2OC)OCCCCC)c2,0.0
8790,CO-ADD:0285259,14.16,N1(c(cccc2N3C(=O)C(CC3=O)Sc4ccccc4)c2)C(=O)C(CC1=O)Sc5ccccc5,0.0
8791,CO-ADD:0291941,14.16,N1(C2c3ccccc3Cl)C(S\C(=C/c(cc(n4c(cc5)ccc5[N+](=O)[O-])C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
8792,CO-ADD:0294775,14.15,N1(C)C(\C=C\c2cccc(OC)c2O)=Nc(c3C1=O)cccc3,0.0
8793,CO-ADD:0223537,14.15,S1(=O)(=O)c(cccc2)c2C(NC(c3ccccc3)c4ccccc4)=N1,0.0
8794,CO-ADD:0294267,14.15,c1(NC(c2ccccc2)CC3c4ccccc4F)n3ncn1,0.0
8795,CO-ADD:0295193,14.15,n1(cc(n2)c3ccccc3)c2ncc(c4ccccc4)n1,0.0
8796,CO-ADD:0294085,14.15,c1(NC(=O)c2cccnc2Cl)sc(c3c1C#N)CCCCC3,0.0
8797,CO-ADD:0294059,14.15,c1(nnc(ccc(Sc2sc(c3n2)cccc3)n4)n14)C(F)(F)C(F)(F)F,0.0
8798,CO-ADD:0228773,14.15,C(OCCCCC)(=O)c1ccc(cc1)N,0.0
8799,CO-ADD:0296006,14.15,n12c(nc(C)cc1O)nnc2c3ccc(cc3)C,0.0
8800,CO-ADD:0223633,14.15,c1(cc(Cl)cc(Cl)c1OCC(=O)Nc2cccc(C)c2)[N+](=O)[O-],0.0
8801,CO-ADD:0294387,14.15,c1(NC(CN(CCC)CCC)=O)sc(c2c1C(OCC)=O)CC(CC2)C,0.0
8802,CO-ADD:0293627,14.15,c(C1c2ccc(cc2)Cl)(c3N)c(NC(CCCC4=O)=C14)sc3C(=O)Nc(cc5)ccc5OCC,0.0
8803,CO-ADD:0294329,14.15,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5cc(OCO6)c6cc5[N+](=O)[O-])cccc4,0.0
8804,CO-ADD:0294282,14.15,n(c(cccc1)c1n2CCOc(cc3)ccc3C)c2CO,0.0
8805,CO-ADD:0228371,14.15,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(cc3)ccc3Br)n2)N4CCCC4.Br,0.0
8806,CO-ADD:0294380,14.15,c1(c2c(sc1NC(C)=O)CCCC2)C(=O)Nc(cc3)ccc3OCC,0.0
8807,CO-ADD:0230414,14.15,C1(C(c2ccc(cc2)OC)C3C(=O)CC(CC3=O)(C)C)=C(O)CC(C)(C)CC1=O,0.0
8808,CO-ADD:0230278,14.15,c1(SCC(=O)c2ccc(cc2C)C)nc(COC)cc(C)c1C#N,0.0
8809,CO-ADD:0223169,14.15,n(c(c1)c2ccc1C(O)=O)c(c3ccc(cc3)Br)c(n2)c4ccc(cc4)Br,0.0
8810,CO-ADD:0294822,14.15,S(NCCCNc(cc1)ccc1[N+](=O)[O-])(=O)(=O)c2ccc(cc2)Cl,0.0
8811,CO-ADD:0295586,14.15,N(C(=O)\C(\S1)=C/c(cc2OC)cc(c2OC)OC)=C1N3CCCC3,0.0
8812,CO-ADD:0293550,14.14,n(Cc1ccccc1)(c(ccc(c2)NCc(cc3)ccc3OC)c2n4)c4C,0.0
8813,CO-ADD:0293421,14.14,C1(SC(=C2C(OC)=O)C(OC)=O)(S2)C(C(OC)=O)=C(C(OC)=O)SC(C(N3Cc4ccccc4)(C)C)=C1c(cc(C)cc5)c35,0.0
8814,CO-ADD:0293438,14.14,C(=CC(\C=C\c(cc(I)cc1I)c1OC)=NC2=O)(C(F)(F)F)N2,0.0
8815,CO-ADD:0295803,14.14,C(F)(C(F)(F)F)(C1=O)SC(=N1)NC(=O)Nc(cccc2C(F)(F)F)c2,0.0
8816,CO-ADD:0296035,14.14,C(=O)(c(cc1)ccc1C#CC2(CCCCC2)O)N(CC3)CCN3c4ccc(cc4)OC,0.0
8817,CO-ADD:0295995,14.14,C1(C(OCC)=O)=C(C)NC(NC1c2ccccc2C(F)(F)F)=O,0.0
8818,CO-ADD:0293832,14.14,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(cc5)cc(c5OC(=O)C6CC6)OCC)cccc4,0.0
8819,CO-ADD:0228318,14.14,c1(OC)c(OC)cc(cc1OC)CNC(=O)C(c2ccccc2)c3ccccc3,0.0
8820,CO-ADD:0295709,14.14,c1(NC(=O)Nc(ccc(c2Cl)Cl)c2)sc(c3c1C(OC)=O)CCCC3,0.0
8821,CO-ADD:0293930,14.14,C(N)(=O)N\N=C\c(ccc(c1OCC)OCCOc(ccc(c2C)C)c2)c1,0.0
8822,CO-ADD:0223579,14.14,C1(CC2)(C(O1)C3)[C@](C)(CC24OCCO4)C(C35)CC[C@](C)(CCC6=O)C56,0.0
8823,CO-ADD:0223556,14.14,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)OCC(c3ccccc3)=O,0.0
8824,CO-ADD:0295366,14.14,c1(OC(N)=C(C2c3cccc(c3)OC(=O)c4ccco4)C#N)c2c(n[nH]1)CCC,0.0
8825,CO-ADD:0296176,14.14,N(C(CC)(c1ccccc1)NN2CC(OCC)=O)C2=S,0.0
8826,CO-ADD:0292628,14.13,C(/NC(c1ccccc1)=O)(=C/c(ccc2c3ccc(cc3)Cl)o2)\C(=O)N4CCCCC4,0.0
8827,CO-ADD:0295319,14.13,N1(c2ccccc2C)C(=O)NC(\C(=C/c(ccc(c3OC)OC)c3OC)\C1=O)=O,0.0
8828,CO-ADD:0294135,14.13,S1(=O)(=O)c(cccc2)c2C(Nc3cc(Cl)ccc3OC(c4ccccc4)=O)=N1,0.0
8829,CO-ADD:0295723,14.13,n1(C)cnnc1SCC(=O)Nc(ccc(c2Cl)F)c2,0.0
8830,CO-ADD:0293927,14.13,N1(c2ccc(cc2)OCCCC)CC(CC1=O)C(=O)NCc3ccco3,0.0
8831,CO-ADD:0232173,14.13,c1(oc(c2n1)ccc(c2)\N=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3)c5ccc(cc5Cl)F,0.0
8832,CO-ADD:0223095,14.13,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(COc(cc2)ccc2Cl)=O,0.0
8833,CO-ADD:0228570,14.13,C1(=O)OC(C(=C)N1c2ccc(cc2)C)(C)C,0.0
8834,CO-ADD:0228252,14.13,C(C(OCC)=O)(=C(CCl)OC(=C1C#N)N)C1c2cccc(Cl)c2Cl,0.0
8835,CO-ADD:0293004,14.13,C1(NS(=O)(=O)c(cc2)ccc2[N+](=O)[O-])=C(C)N(N(c3ccccc3)C1=O)C,0.0
8836,CO-ADD:0228483,14.13,N1(\N=C\c2ccco2)C(=S)SC(C)(C)C1N(O)C(=O)Nc3cccc(Cl)c3,0.0
8837,CO-ADD:0294783,14.13,c1(C(OCC)=O)nonc1N,0.0
8838,CO-ADD:0230065,14.13,c1(ccccc1OCCOc2ccccc2N)N,0.0
8839,CO-ADD:0230078,14.13,c1(n[nH]c(c([nH]nc2[N+](=O)[O-])n2)n1)[N+](=O)[O-],0.0
8840,CO-ADD:0230083,14.12,c1(Cl)c(Br)c(nn1c(cc2)ccc2[N+](=O)[O-])C,0.0
8841,CO-ADD:0223540,14.12,C1(C#N)=C(C)c2c(OC1=O)cccc2,0.0
8842,CO-ADD:0228777,14.12,C(=O)(c1cccc(I)c1)Oc2ccccc2c3ccccc3OC(=O)c4cccc(I)c4,0.0
8843,CO-ADD:0228430,14.12,S1C(CC2)(CCC2C(C)(C)C)NN=C1c3ccccc3,0.0
8844,CO-ADD:0230145,14.12,C(COC(CCCC(NCCCCCCCC)=O)=O)#C,0.0
8845,CO-ADD:0228665,14.12,c12c(CC(C)(C)CC1=O)oc(cc(OC(C)=O)c(OC(C)=O)c3)c23,0.0
8846,CO-ADD:0228629,14.12,S(=O)(=O)(Nc1ccccc1)c(c(Cl)cc(c2C(=O)Nc3ccccc3)Cl)c2.CC(=O)O,0.0
8847,CO-ADD:0294418,14.12,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)Nc(cc4)c(Cl)cc4[N+](=O)[O-])c1Cl,0.0
8848,CO-ADD:0228263,14.12,N(c1ccc(cc1)Sc(cc2)ccc2Sc(cc3)ccc3Sc(cc4)ccc4N(C(C)=O)C(C)=O)(C(C)=O)C(C)=O,0.0
8849,CO-ADD:0294025,14.12,N(c1sccn1)C(=O)c2cccc(cccc3)c23,0.0
8850,CO-ADD:0292307,14.12,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c3ccc(C)s3)\C1=O)=O,0.0
8851,CO-ADD:0228963,14.11,c(cc(cccc1)c1n2)(c23)\C(=N/C4CCCCC4)\c(c35)cc(cc5C)C,0.0
8852,CO-ADD:0293210,14.11,N(C(=O)\C(\S1)=C\c(cc2)ccc2N(C)C)=C1N(CC3)CCN3C(c4ccccc4)c5ccccc5,0.0
8853,CO-ADD:0293814,14.11,N1(C(=O)c2c(cc(cc2)Oc(cc3)ccc3[N+](=O)[O-])C1=O)c4nnc(SCC)s4,0.0
8854,CO-ADD:0292998,14.11,c1(ccc(cc1Cl)Cl)C(=O)N(CC2)CCN2C.Cl,0.0
8855,CO-ADD:0292990,14.11,S(c1ccccc1)(=O)(=O)C(Nc2ccccc2OC)C(=O)N\N=C\c(cc3)ccc3C,0.0
8856,CO-ADD:0295804,14.11,C(F)(C(F)(F)F)(C1=O)SC(=N1)NC(=O)Nc2ccccc2,0.0
8857,CO-ADD:0292620,14.11,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(ccc3c4[nH]c(n3)C)c4,0.0
8858,CO-ADD:0292559,14.11,c1(NN(CC2)CCN2C)c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0.0
8859,CO-ADD:0292844,14.11,C(c(cccc1)c1N2C(C)=O)(c3c4c([nH]c3)cccc4)(c5c6c([nH]c5)cccc6)C2=O,0.0
8860,CO-ADD:0293323,14.11,N1(CCCCCC1=O)CO,0.0
8861,CO-ADD:0294032,14.11,c12c(CN(CCN(CC3)CCO3)CC1(CC4)CCO4)cc(OC)c(OC)c2.Cl.Cl,0.0
8862,CO-ADD:0228276,14.11,C(c1ccccc1)(=S)N(CC2)CCO2,0.0
8863,CO-ADD:0292298,14.11,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
8864,CO-ADD:0292225,14.11,C(/SC(N1c2ccc(cc2)C)=S)(\C1=O)=C(\S\C(\C3=O)=C(/C=Cc(c45)cccc4)\N5CC)/N3CCC,0.0
8865,CO-ADD:0230825,14.11,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)Nc2cccc(Cl)c2C,0.0
8866,CO-ADD:0294341,14.11,c1(OC(N)=C(C2c(cc3)cc(c3OC(=O)N(CC4)CCO4)OC)C#N)c2c(n[nH]1)COC,0.0
8867,CO-ADD:0294568,14.11,N1(C(CCC(=O)Nc(cc2)ccc2Br)=O)C(c3ccc(cc3)Br)CC(c4ccc(cc4)Br)=N1,0.0
8868,CO-ADD:0295588,14.1,N(C(=O)\C(\S1)=C/c2cccc(cccc3)c23)=C1N(CC4)CCO4,0.0
8869,CO-ADD:0294469,14.1,c(C(F)(F)F)(nn(c12)cc(n1)c3ccccc3)s2,0.0
8870,CO-ADD:0292958,14.1,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)OC)=C(O)C(N2CCNC(C)=O)=O,0.0
8871,CO-ADD:0296090,14.1,n(cnc1NC(=O)Nc(cc2)ccc2Cl)(n1)c3nc(OC)nc(OC)n3,0.0
8872,CO-ADD:0295421,14.1,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccccc1Cl)Nc2sc(c3c2C(N)=O)CCC3,0.0
8873,CO-ADD:0294966,14.1,N(CC1)(C(C)CN1C(=O)c2cccs2)C(=O)c3cccs3,0.0
8874,CO-ADD:0294999,14.1,n1c(SCC(=O)Nc2cccc(C)c2)snc1SCC(=O)Nc3cccc(C)c3,0.0
8875,CO-ADD:0295473,14.1,c1(NC(=O)C23CC4CC(CC(C4)C2)C3)sc(c(C)c1C(OCC)=O)C(=O)Nc5ccccc5C(OCC)=O,0.0
8876,CO-ADD:0296082,14.1,C1(=COc(c2C1=O)cccc2)C3Nc4c(NC(CC(c5ccccc5)CC6=O)=C36)cccc4,0.0
8877,CO-ADD:0292677,14.09,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc2C(=O)N4CCCCC4,0.0
8878,CO-ADD:0223491,14.09,C(=C\c1ccccc1)(/C(C)=NN2c3ccc(cc3)C)\C2=O,0.0
8879,CO-ADD:0230574,14.09,C(=O)(c1ccc(cc1)Cl)Nc(cc2)ccc2F,0.0
8880,CO-ADD:0235004,14.09,c1(oc(c2n1)ccc(c2)\N=C\c3cc(Br)cc(OC)c3O)c4c(O)cc(c5c4)cccc5,0.0
8881,CO-ADD:0294581,14.09,c1(c2c(sc1NC(Cc3ccccc3)=O)CCC2)C(=O)Nc(cc4)ccc4OC,0.0
8882,CO-ADD:0232465,14.09,n1c2c(oc1c3cccc(c3)\N=C\c4c(O)ccc(cccc5)c45)cccc2C,0.0
8883,CO-ADD:0295097,14.09,c1(cc(ccc1N(CC2)CCC2C(=O)Nc3cc(ccc3N4CCCCC4C)C(F)(F)F)C(F)(F)F)[N+](=O)[O-],0.0
8884,CO-ADD:0292223,14.09,n1c(C2CCC(CC2)CCCCC)onc1c(cc3)ccc3C4CCC(CC4)CCC,0.0
8885,CO-ADD:0295998,14.09,n1(cnnn1)c2c(OC)ccc(OC)c2,0.0
8886,CO-ADD:0295311,14.09,N1(c2ccccc2C)C(=O)\C(=C\NC(C)CC)\C(NC1=O)=O,0.0
8887,CO-ADD:0235110,14.09,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c2ccc(cc2Cl)Cc(ccc(c3Cl)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4)c3,0.0
8888,CO-ADD:0295559,14.09,c1(cn[nH]c1C(NC)=O)[N+](=O)[O-],0.0
8889,CO-ADD:0230271,14.09,c1(OC)c(cccc1\C=N\c(cc2)ccc2\N=C\c3cccc(OC)c3OC)OC,0.0
8890,CO-ADD:0228399,14.09,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)OCC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
8891,CO-ADD:0292481,14.09,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)ccc5c([nH]nn6)n6,0.0
8892,CO-ADD:0295078,14.09,C1(C)=CC(=O)Oc(ccc(c2)OC(C)C(OCC)=O)c12,0.0
8893,CO-ADD:0294630,14.09,C(/NC(c1ccccc1)=O)(=C(\c2ccccc2)/Sc3ccccn3)\C(=O)N(CC4)CCO4,0.0
8894,CO-ADD:0223531,14.09,N1(CCc(cccc2)c12)C(=O)c3ccccc3Cl,0.0
8895,CO-ADD:0295653,14.09,c12c(c3c(CCCC3)s1)c(nc(c4cccc(OC)c4)n2)O,0.0
8896,CO-ADD:0295333,14.09,C(=O)(N(CC1)CCO1)Oc2c(OC)cc(cc2OC)C=O,0.0
8897,CO-ADD:0294631,14.09,N1(C(CCS2(=O)=O)C2)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
8898,CO-ADD:0292786,14.09,n1(C)c(COc(cc2)ccc2C)nnc1S,0.0
8899,CO-ADD:0293862,14.09,c1(Nc(cccc2C(F)(F)F)c2)nc(NN)nc(NN)n1,0.0
8900,CO-ADD:0294892,14.09,c1(NC(CSc2ncccn2)=O)sc(c3c1C(N)=O)CCC3,0.0
8901,CO-ADD:0294589,14.09,c1(cc(ccc1N(CC2)CCO2)\C=C\c3nc(O)nc(O)c3[N+](=O)[O-])[N+](=O)[O-],0.0
8902,CO-ADD:0228703,14.08,n1(c(C)c(nn1)C(OCC)=O)c2nonc2N,0.0
8903,CO-ADD:0230833,14.08,C(=O)(N\N=C\CCC\C=N\NC(=O)c1ccc(cc1)F)c2ccc(cc2)F,0.0
8904,CO-ADD:0295028,14.08,C1(Sc2[nH]c(c3n2)cccc3)=C(c4ccccc4)c5c(ccc(Cl)c5)NC1=O,0.0
8905,CO-ADD:0295396,14.08,c1(C2c(cc3OC)cc(c3OC(=O)N(CC4)CCO4)OC)c([nH]nc1c(cccc5[N+](=O)[O-])c5)OC(N)=C2C#N,0.0
8906,CO-ADD:0230420,14.08,c(c(cc1)ccn1)(c2)c[nH]n2,0.0
8907,CO-ADD:0228848,14.08,n1c(NCCO)cc(nc1NCCO)C,0.0
8908,CO-ADD:0223741,14.08,c1(Br)c2c(cccc2)ccc1OC(CC)C(=O)N\N=C\c3cc(Br)ccc3OCC,0.0
8909,CO-ADD:0223742,14.08,c1(\C=N\NC(=O)c2ccc(cc2)OCc3cccc(OC)c3)cc(Br)ccc1OCC,0.0
8910,CO-ADD:0228899,14.08,C1(CCCC2)C2C1C(NCCCCCCCC)=O,0.0
8911,CO-ADD:0235232,14.07,C12C(C1C(=O)N\N=C\c3c(C)cc(cc3C)C)CCCC2,0.0
8912,CO-ADD:0232508,14.07,n1c2c(oc1c(cc3)ccc3C(C)(C)C)ccc(c2)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
8913,CO-ADD:0292521,14.07,N(CCC(C)C)(C(=O)CCN1C(C)=O)c2c1cccc2,0.0
8914,CO-ADD:0292961,14.07,N1(O)C(C)(C)CC(CC1(C)C)NC(=O)c(cc2)ccc2[N+](=O)[O-].Cl,0.0
8915,CO-ADD:0296116,14.07,c1(C(NCCCNC(=O)c2cc(F)c(cc2Cl)F)=O)nonc1N,0.0
8916,CO-ADD:0295951,14.07,c1(Nc2ccccc2)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
8917,CO-ADD:0292471,14.07,n1(nnc(C(=O)OC(C)C)c1CN(CC2)CCN2CC)c3nonc3N,0.0
8918,CO-ADD:0293394,14.07,C1(N2)=C(C(C3=C2c4c(C3=O)cccc4)c5ccc(cc5)Br)C(NC(=O)N1C)=O,0.0
8919,CO-ADD:0293945,14.07,N1(CC(=O)Nc(cc2)ccc2C(OC)=O)C(=O)c3c(C(C)=N1)cccc3,0.0
8920,CO-ADD:0295913,14.07,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c3ccc(cc3)OC(=O)N(CC4)CCO4,0.0
8921,CO-ADD:0295360,14.07,c(c1C(C)C)(C2c3ccc(cc3)OC(=O)c4ccco4)c([nH]n1)OC(N)=C2C#N,0.0
8922,CO-ADD:0295353,14.07,c1(C2c(cc3)ccc3c4ccccc4)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
8923,CO-ADD:0295878,14.07,C1(C#N)=C(N)OC(=C2C1c(cc3)cc(c3OC(=O)N(CC4)CCO4)OC)CCCC2=O,0.0
8924,CO-ADD:0293367,14.07,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5ccc(cc5Cl)Cl)cccc4,0.0
8925,CO-ADD:0292963,14.07,N1(OC(C)=O)C(C)(C)CC(CC1(C)C)OC(C)=O,0.0
8926,CO-ADD:0223278,14.07,c1(ccc(cc1Cl)Cl)\C=N\c(cc2)ccc2\N=C\c3ccc(cc3Cl)Cl,0.0
8927,CO-ADD:0292472,14.07,C(=O)(N\N=C(\CCCC1)/C1)C(O)(c2ccc(cc2)C)c3ccc(cc3)C,0.0
8928,CO-ADD:0293745,14.06,c1(NC(C)=O)cc(nn1Cc2ccccc2)c3ccc(cc3)Cl,0.0
8929,CO-ADD:0293515,14.06,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c(cc3)ccc3N(CC)CC,0.0
8930,CO-ADD:0228924,14.06,[N+](=O)([O-])c1ccccc1NC(=O)Nc(c(CC)cc(c2NC(=O)Nc3ccccc3[N+](=O)[O-])Br)c2Br,0.0
8931,CO-ADD:0231999,14.06,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c4ccccc4O,0.0
8932,CO-ADD:0295390,14.06,c1(OCc(cc2)ccc2F)c(OCC)cc(cc1Br)C=O,0.0
8933,CO-ADD:0228801,14.06,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3C)C)c3,0.0
8934,CO-ADD:0230822,14.06,C(CCC(NCCc1ccccc1)=O)(=O)Nc(cc2)ccc2F,0.0
8935,CO-ADD:0230472,14.06,[n+]1(cnn(CCCCCCCCCCCCCCCC)c1)[N-][N+](=O)[O-],0.0
8936,CO-ADD:0293025,14.06,C1(C2c(cc3)ccc3c4nnc(N)s4)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC5=O)=C25,0.0
8937,CO-ADD:0295453,14.06,c1(OCC)cc(ccc1OCc(cc2)ccc2C)C=O,0.0
8938,CO-ADD:0295976,14.06,c1(C2c3ccc(c(OCC)c3)O)c([nH]nc1c(cccc4[N+](=O)[O-])c4)OC(N)=C2C#N,0.0
8939,CO-ADD:0294962,14.06,C1(c2ccccc2F)=N\C(\C(=O)O1)=C\c(cc3)cc(c3OC(c4ccccc4)=O)OCC,0.0
8940,CO-ADD:0292619,14.06,N1(c2ccc(cc2)Br)C(=O)\C(\C(C)=N1)=C/Nc3ccc(cc3OC)SC#N,0.0
8941,CO-ADD:0292953,14.06,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)Br)=C(O)C(N2CCNC(C)=O)=O,0.0
8942,CO-ADD:0293067,14.06,c1(sccn1)NC(CSc2ncccn2)=O,0.0
8943,CO-ADD:0294436,14.06,C1(C(=O)OC(C)C)=C(C)NC(=C2C1c3cc4c(cc3Br)OCO4)CCCC2=O,0.0
8944,CO-ADD:0292868,14.06,c(CNC(=O)c1cccc(Br)c1)(cn(n2)C)c2C,0.0
8945,CO-ADD:0295266,14.05,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c(cccc1C(F)(F)F)c1)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
8946,CO-ADD:0292241,14.05,N1\C(=N\c2ccccc2)\C(\SC1=O)=C\c(cc3)ccc3OC,0.0
8947,CO-ADD:0294023,14.05,N1(c2ccc(cc2)C)C(=O)c3c(c(ccc4Sc5ccccc5NC(C)=O)C1=O)c4ccc3,0.0
8948,CO-ADD:0293229,14.05,n1c(c2cccc(F)c2)[nH]c(c3ccccc3)c1c(ccc(c45)c6c(cccc6)s4)c5,0.0
8949,CO-ADD:0294792,14.05,c1(ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc2ccccc2Cl,0.0
8950,CO-ADD:0292732,14.05,N1(C(C)=O)c2c(cccc2)NC(=O)CC1C,0.0
8951,CO-ADD:0292566,14.05,n12c(cc(c(cc3)ccc3C(C)(C)C)n1)nc(cc2C(F)(F)F)c4ccccc4,0.0
8952,CO-ADD:0296139,14.05,c1(cc(ccc1N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCO)C(F)(F)F)[N+](=O)[O-],0.0
8953,CO-ADD:0292833,14.05,c(c1c2ccccc2)(C3c4ccc(cc4)OC(=O)N(CC5)CCO5)c([nH]n1)OC(N)=C3C#N,0.0
8954,CO-ADD:0230407,14.05,N#CCC(=O)NCC1(CCCC1)c2ccc(c(OC)c2)OC,0.0
8955,CO-ADD:0230109,14.05,c1(cc(cc(OC)c1OCC(OCC)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
8956,CO-ADD:0295346,14.05,c(c(I)cn1)(n1C)C(=O)Oc(cc2)ccc2\C=N\NC(=O)c3ccoc3C,0.0
8957,CO-ADD:0228196,14.05,S(=O)(=O)(c(cccc1C(=O)NC2CCCCC2)c1)N3CCCCC3,0.0
8958,CO-ADD:0229995,14.05,c1(n(c(cc(C)n1)C)nc2C(NN)=O)n2,0.0
8959,CO-ADD:0230891,14.05,C(=C/c(cc1)ccc1N(CC)CC)(/c2c3ccc(c2)[N+](=O)[O-])\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
8960,CO-ADD:0292907,14.05,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4Cl)c1Cl,0.0
8961,CO-ADD:0228836,14.05,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\NCc3ccccc3,0.0
8962,CO-ADD:0228021,14.05,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3ccccc3Cl,0.0
8963,CO-ADD:0294984,14.05,c1(scc(c2ccccc2)n1)NC(CSc(nn3)nc(c3c4ccccc4)c5ccccc5)=O,0.0
8964,CO-ADD:0232005,14.04,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cccc4[N+](=O)[O-])c4,0.0
8965,CO-ADD:0294484,14.04,N1(c2ccc(cc2)OC(F)(F)Cl)C(=O)C(CC1=O)S\C(=N/CC)\Nc(cc3)ccc3I,0.0
8966,CO-ADD:0235534,14.04,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OCc5ccc(cc5Cl)Cl)c4)\C1=O,0.0
8967,CO-ADD:0292479,14.04,N1(C)C(C)(C)CC(CC1(C)C)N(C)C(=O)c2cc(N)cc(N)c2.Cl.Cl.Cl,0.0
8968,CO-ADD:0292418,14.04,c1(c(OC)ccc(c1)NC(C)=O)P(c2ccccc2)(c3ccccc3)=O,0.0
8969,CO-ADD:0292539,14.04,N1(C(=O)CCBr)c(ccc(c2)[N+](=O)[O-])c2N(C(C)CC1=O)C(=O)CCBr,0.0
8970,CO-ADD:0230877,14.04,C(=C/c(ccc(c1OC)OC)c1)(/c2c3ccc(c2)[N+](=O)[O-])\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
8971,CO-ADD:0293617,14.04,S(N)(=O)(=O)c1ccc(cc1)CCNC(C2(CCCCC2)OC3=O)=C3,0.0
8972,CO-ADD:0292231,14.04,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4F)c2)[nH]c(c5n1)cccc5,0.0
8973,CO-ADD:0292551,14.04,C(F)(F)(F)c(ccc(c1\N=C\c2cc(OC)ccc2O)Oc3c(Cl)ccc(Cl)c3)c1,0.0
8974,CO-ADD:0228141,14.04,N(=C(/CC)\c1ccccc1)/NC(CNc2cccc(Br)c2)=O,0.0
8975,CO-ADD:0294718,14.04,C1(C#N)(CC(N2)(O)C(C(c3ccccc3)C1(C#N)C#N)CCC)C2=O,0.0
8976,CO-ADD:0228475,14.04,N1(\N=C\c2ccco2)C(=S)SC(C)(C)C1N(O)C(=O)Nc3ccccc3,0.0
8977,CO-ADD:0293379,14.04,N1(c2ccc(cc2)OC(F)(F)F)C(=O)CC(N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-])C1=O,0.0
8978,CO-ADD:0292965,14.04,N1(O)C(C)(C)CC(CC1(C)C)NC(c2ccccc2)=O.Cl,0.0
8979,CO-ADD:0292936,14.03,c1(c[nH]nc1C)[N+](=O)[O-],0.0
8980,CO-ADD:0232184,14.03,c1(\C=N\c2ccc(cc2O)C)c(O)c(OC)cc(Br)c1Br,0.0
8981,CO-ADD:0223070,14.03,C(=O)(NC1CCCCCCCCCCC1)Nc(cc2)ccc2OCCCCCCCCCC,0.0
8982,CO-ADD:0230277,14.03,[N+](=O)([O-])c(cc(C(=O)c(c1)cc(c(C)c1[N+](=O)[O-])[N+](=O)[O-])cc2[N+](=O)[O-])c2C,0.0
8983,CO-ADD:0292557,14.03,c1(nc(Nc2ccccc2)c(n3)Nc4ccccc4F)c3non1,0.0
8984,CO-ADD:0296064,14.03,C(C(c1ccccc1)=O)(C2c(cc3)ccc3N(C)C)=C(O)C(N2CCCOC)=O,0.0
8985,CO-ADD:0292280,14.03,N1C(=O)\C(\SC1=S)=C/c2cccc(C)c2O,0.0
8986,CO-ADD:0295327,14.03,N1(c2ccccc2)C(=O)NC(\C(=C/c(ccc3[N+](=O)[O-])s3)\C1=O)=O,0.0
8987,CO-ADD:0292454,14.03,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C/c(cc(OCO5)c5c6)c6Br)\C7=O)N37)N(C(=O)N1C)C,0.0
8988,CO-ADD:0295433,14.03,s1c(C)nnc1SCC(=O)Nc(ccc(c2Cl)F)c2,0.0
8989,CO-ADD:0295517,14.03,N1C(c(cc2)ccc2C(C)C)SCC1C(O)=O,0.0
8990,CO-ADD:0292296,14.03,c1(SCc(cc(OCO2)c2c3)c3Cl)[nH]c(c4n1)cc(c(C)c4)C,0.0
8991,CO-ADD:0296177,14.03,c12c(CCCC1O)c3c(ccc(Br)c3)[nH]2,0.0
8992,CO-ADD:0292672,14.03,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc2C(=O)N(C)Cc4ccccc4,0.0
8993,CO-ADD:0293867,14.03,n1(Cc2ccccc2)c(SCCN(CC3)CCN3c4ccc(cc4[N+](=O)[O-])C(F)(F)F)nnc1c5ccccc5,0.0
8994,CO-ADD:0232565,14.03,N1C(=O)\C(\SC1=S)=C\c(cc(OC)c(c2)OC)c2OC,0.0
8995,CO-ADD:0223109,14.03,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(COc3c(Br)cc(cc3Br)Br)=O)o1,0.0
8996,CO-ADD:0228742,14.02,C(=C\c(cc1)ccc1Br)(/c2c3cccc2)\c(cc(cccc4)c4n5)c35,0.0
8997,CO-ADD:0294110,14.02,C12=C(CC(C)(C)CC1=O)Nc(c(ccc3C(c4ccccc4)=O)NC2c5ccc(c(Cl)c5)Cl)c3,0.0
8998,CO-ADD:0295443,14.02,c1(NC(COc(cc2)ccc2Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccc(cc3OC)OC,0.0
8999,CO-ADD:0294302,14.02,N1(c2cccc(OCC)c2)C(=O)CC(N(CC3)CCC3(C(N)=O)N4CCCCC4)C1=O,0.0
9000,CO-ADD:0293495,14.02,n(c1C)c2c(c(Cl)c1CCC(C)=O)cccc2C,0.0
9001,CO-ADD:0294686,14.02,N1(C(C)=Nc(c2C1=O)cccc2)c3c(C)cc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
9002,CO-ADD:0294679,14.02,N(c1ccccc1)(CC2)CCN2CC(=O)Nc(cc3)ccc3F,0.0
9003,CO-ADD:0295172,14.02,c1(nc(c2ccccc2)c(n3)c4ccccc4)n3cc(c5cccs5)n1,0.0
9004,CO-ADD:0296048,14.02,c12c(C(N(C)C(=O)N1C)=O)n(c(Br)n2)CC(N)=O,0.0
9005,CO-ADD:0230489,14.02,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4C,0.0
9006,CO-ADD:0294551,14.02,c1(c2ccccc2)c3c(ccc(Br)c3)nc(C)c1C(=O)\C=C\c4ccccc4OC,0.0
9007,CO-ADD:0294448,14.02,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccccc4OCC,0.0
9008,CO-ADD:0228280,14.02,C(=O)(Nc(ccc(c12)cccc1)c2)c3ccco3,0.0
9009,CO-ADD:0294440,14.02,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c(cc4OC)cc(c4O)Cl,0.0
9010,CO-ADD:0295774,14.01,N1(c2cccc(c2)C(=O)Nc3ccc(cc3C)Br)C(=O)c(c4C1=O)cccc4,0.0
9011,CO-ADD:0230422,14.01,N1(CCCNC)c2c(cccc2)CCc(cccc3)c13,0.0
9012,CO-ADD:0292794,14.01,N(\C(=C/c(cc1)ccc1OC(=O)c2ccc(cc2)C)\C(O3)=O)=C3c(cc4)ccc4C(C)(C)C,0.0
9013,CO-ADD:0293856,14.01,C12(CCCCC1)Oc(c3O2)ccc(c3)NC(=O)c4ccc(cc4)OCCCC,0.0
9014,CO-ADD:0232038,14.01,c(\C=N\c(ccc1c2cccn1)c2)(c(C)c3Cl)c(O)c(c3C)Br,0.0
9015,CO-ADD:0294101,14.01,c1(cccnc1N2CCCCC2)C(O)(c3ccc(cc3)Cl)c4ccc(cc4)Cl,0.0
9016,CO-ADD:0292709,14.01,N(\C(=C/c1ccccc1OC(=O)c2ccccc2Br)\C(O3)=O)=C3c(cc4)ccc4C(C)(C)C,0.0
9017,CO-ADD:0296054,14.01,N(CCc(c12)cc(c(OC)c1)OC)(C(C)=O)C2c3cccc(F)c3,0.0
9018,CO-ADD:0295813,14.01,N1(CC(c2ccccc2)c3ccccc3)C(=O)CC(N(CC4)CCN4Cc(ccc(c56)OCO5)c6)C1=O,0.0
9019,CO-ADD:0292603,14.01,C12(CCC(=O)O1)c3c(C(=O)O2)cccc3,0.0
9020,CO-ADD:0294516,14.01,[N+](=O)([O-])c1ccc(cc1NCc(cc2)ccc2Cl)N(CC3)CCN3C,0.0
9021,CO-ADD:0228970,14.01,C(C(OCC)=O)(C1)=C(C)NC(C)=C1C(OCC)=O,0.0
9022,CO-ADD:0228076,14.01,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(CNc(ccc(c34)cccc3)c4)=O,0.0
9023,CO-ADD:0228055,14.0,c(Br)(c(C)c(C)cc1\C=N\c(cc2)ccc2NC(C)=O)c1O,0.0
9024,CO-ADD:0232658,14.0,N1(c(cc2)ccc2C(O)=O)C(=O)CC(N(CC3)CCN3Cc4ccccc4)C1=O,0.0
9025,CO-ADD:0223771,14.0,[N+](=O)([O-])\N=C(/NC1)\NCN1c(cccc2[N+](=O)[O-])c2,0.0
9026,CO-ADD:0230459,14.0,C(=O)(Nc(cc1)ccc1C)C(NCCCN(CCC)CCC)=O,0.0
9027,CO-ADD:0293005,14.0,C(N1CC(C)OC(C)C1)(C2=O)=C(Cl)C(C(N3CC(C)OC(C)C3)=C2Cl)=O,0.0
9028,CO-ADD:0295344,14.0,c1(c2)c(cc(OC)c2NC(=O)C(C)(C)Br)c3c(cccc3)o1,0.0
9029,CO-ADD:0294555,14.0,N1(C(c2ccccc2)CC(=N1)C3=C(c4ccccc4)c5c(ccc(Br)c5)NC3=O)C(=O)c(cc6OC)cc(c6OC)OC,0.0
9030,CO-ADD:0294122,14.0,c1(cc(ccc1N(CC2)CCN2Cc3ccccc3)[N+](=O)[O-])C(=O)Nc(cc4)ccc4OC(F)(F)F,0.0
9031,CO-ADD:0293249,14.0,C1(SCC(=O)N1c(cccc2C(F)(F)F)c2)(c3c(N4CN(CC5)CCN5c6ccccc6)cccc3)C4=O,0.0
9032,CO-ADD:0293908,14.0,c1(c(ccc(c1)C(=O)N(CC2)CCO2)Sc3ncccn3)[N+](=O)[O-],0.0
9033,CO-ADD:0295374,14.0,n1(c2ccc(c(C)c2)Br)c(C)c(cc1C)C=O,0.0
9034,CO-ADD:0231879,14.0,c1(c2cccc(F)c2)oc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
9035,CO-ADD:0292815,14.0,[N+](=O)([O-])c(cccc1c2ccc(\C=C/C(=O)N(CC3)CCO3)o2)c1,0.0
9036,CO-ADD:0295912,14.0,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c(ccc3c4ccccc4Cl)o3,0.0
9037,CO-ADD:0228334,14.0,N1(C(c2ccccc2)CC(c3ccccc3)=N1)c4scc(c5ccc(cc5)F)n4.Br,0.0
9038,CO-ADD:0295734,14.0,C1(C(OCCCc2ccccc2)=O)=C(C)NC(=O)CC1c3ccccc3[N+](=O)[O-],0.0
9039,CO-ADD:0295207,14.0,C12=C(C=C(C)NC1=S)\C(\OC2=O)=C\c(ccc(c3OCC)O)c3,0.0
9040,CO-ADD:0228690,14.0,[C@@]1(C)(CC2)C(CCC1C(C)CC(CC)CC(C)C)C(C23)CC=C(CC(CC4)OC(=O)c(cccn5)c5)[C@@]34C,0.0
9041,CO-ADD:0292774,13.99,C1(N(CC2)CCN2CCO)=CC(OC13CCCCC3)=O,0.0
9042,CO-ADD:0293650,13.99,c1(ccccc1Cl)NN.Cl,0.0
9043,CO-ADD:0232474,13.99,c1(c(O)c(\C=N\c(ccc(c2c3oc(c4n3)cccc4C)O)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
9044,CO-ADD:0299552,13.99,N1(c(cc2)ccc2C(O)=O)C(=O)C=CC1=O,0.0
9045,CO-ADD:0299297,13.99,C(/c(cc(OC)cc1)c12)(\C(=S)C(N2C(=O)c(cccc3[N+](=O)[O-])c3)(C)C)=C(\SC(=C4C(OC)=O)C(OC)=O)/S4,0.0
9046,CO-ADD:0299773,13.99,c1(sc(c2n1)cccc2)\C(\C#N)=C\c(cc3)ccn3,0.0
9047,CO-ADD:0286838,13.99,C(C(C)=O)(C1c2ccc(cc2)F)=C(O)C(N1c(cccn3)c3)=O,0.0
9048,CO-ADD:0285583,13.99,C12c(cccc3)c3C(C(C)C1C(=O)Nc(ccc(c4Cl)Cl)c4)c5c2cccc5,0.0
9049,CO-ADD:0299550,13.99,N(C(=O)c1ccc(cc1)C)C(=S)Nc(cccc2C(F)(F)F)c2,0.0
9050,CO-ADD:0228891,13.99,C1(C(=O)Nc(ccc(c2C)C)c2)C(C13)CCCCCC3,0.0
9051,CO-ADD:0230642,13.99,c(cc(cccc1)c1n2)(\C(=N/C3CCCCC3)\c4c5cc(cc4)C)c25,0.0
9052,CO-ADD:0230315,13.99,[n+](C)(c(C)c1)cc(c1Nc2ccccc2)C.[I-],0.0
9053,CO-ADD:0286558,13.99,S1(=O)(=O)c(cccc2)c2C(N(c3ccccc3)CC(=O)N\N=C\c(cc4)ccc4F)=N1,0.0
9054,CO-ADD:0299974,13.99,S(=O)(=O)(Nc(c(OC)cc(c12)c3c(cccc3)o1)c2)c4ccc(c(cccc5)c45)OC,0.0
9055,CO-ADD:0223231,13.99,c1(\C=N\NC(COc(ccc(c2C)C)c2)=O)cc(Cl)ccc1OC,0.0
9056,CO-ADD:0286978,13.98,c1(sc(c2c1C(OCC)=O)CCCC2)N3C(=O)CSC3=N,0.0
9057,CO-ADD:0223228,13.98,c1(ccc(C(=O)Oc(cc2)ccc2\C=N\NC(COc3ccccc3[N+](=O)[O-])=O)o1)[N+](=O)[O-],0.0
9058,CO-ADD:0235612,13.98,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1\N=C\c(ccc3c4cccs4)s3,0.0
9059,CO-ADD:0230659,13.98,c12c(c(c(C)cc1)ccc3)c3c4c(cccc4)C2=O,0.0
9060,CO-ADD:0293263,13.98,N1(c2c(C)ccc(Cl)c2)C(=O)C(C(C1=O)C34CC)C(c(c35)cccc5)c(c46)cccc6,0.0
9061,CO-ADD:0294998,13.98,C(=O)(c1cccc(C)c1)N(CCCN2C(=O)c3cccc(C)c3)CC2,0.0
9062,CO-ADD:0294943,13.98,C1(=Cc2c(OC1=O)cccc2)c3[nH]c4c(ccc(C)c4)n3,0.0
9063,CO-ADD:0223078,13.98,[N+](=O)([O-])c(cc1)ccc1C(=O)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3C,0.0
9064,CO-ADD:0230607,13.98,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CSCc(cc2)ccc2Br)=O,0.0
9065,CO-ADD:0230384,13.98,n1c(C)c(CC=C)c(c(cccc2OC)c12)Cl,0.0
9066,CO-ADD:0285600,13.98,C(/S\C(\C1=O)=C/c(ccc(c2OC)OCc3c(cccc3F)Cl)c2)(=N\C(C)=O)\N1,0.0
9067,CO-ADD:0230363,13.98,C(=O)(N\N=C\c(cc1)ccc1N(C)c2ccccc2)c3ccc(cc3)OC,0.0
9068,CO-ADD:0228859,13.98,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C(\C)/C=C/c2ccccc2,0.0
9069,CO-ADD:0299240,13.98,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCN3C(c4ccc(cc4)F)c5ccc(cc5)F)C1=O,0.0
9070,CO-ADD:0223435,13.98,C(=O)(\C=C\C(O)=O)N(CC1)CCO1,0.0
9071,CO-ADD:0223518,13.98,C(=C\Nc1ccc(cc1[N+](=O)[O-])C(O)=O)(/C(=O)NC(N2)=O)\C2=O,0.0
9072,CO-ADD:0285547,13.98,N1C(=O)C(SC1=N)Cc(cccc2C(F)(F)F)c2,0.0
9073,CO-ADD:0299538,13.98,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)OC)OC(N3CCCCC3)=N1,0.0
9074,CO-ADD:0223141,13.98,C(Cc1ccccc1)(=O)Nc(cc2)ccc2C(=O)\C=C\c(cc3)ccc3F,0.0
9075,CO-ADD:0223133,13.98,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc(c3I)OC)c3,0.0
9076,CO-ADD:0299755,13.97,C(=O)(C(OC)c1ccccc1)NCc(cccn2)c2,0.0
9077,CO-ADD:0291767,13.97,N1(c2ccc(c(C)c2)C)C(=O)\C(=C/c(ccc3c4cccc(Cl)c4Cl)o3)\C(N(c5ccccc5)C1=S)=O,0.0
9078,CO-ADD:0291238,13.97,N1(c2ccc(cc2)C)C(=O)\C(=C/Nc(cc3)ccc3S(=O)(=O)Nc4sccn4)\C(NC1=O)=O,0.0
9079,CO-ADD:0291382,13.97,c1(N2CCCCC2)nc(NCC(O)=O)nc(NCC(O)=O)n1,0.0
9080,CO-ADD:0286546,13.97,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3Oc4ccccc4)\N2CC)N(CC5)CCO5.Br,0.0
9081,CO-ADD:0285029,13.97,C12(\C=C\C=C\c(cc3)ccc3N(C)C)N(CC(=O)N1)c4c(cccc4)C2(C)C,0.0
9082,CO-ADD:0286684,13.97,N1(c2cccc(c2)C(O)=O)C(=O)C(C3C1=O)C(c4ccccc4)(C(C35c6ccccc6)=O)C(=C5c7ccc(cc7)C)c8ccc(cc8)C,0.0
9083,CO-ADD:0299799,13.97,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(ccc(c3OC)O)c3)\C1=O)=O,0.0
9084,CO-ADD:0300070,13.97,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(ccc3[N+](=O)[O-])s3)\C1=O)=O,0.0
9085,CO-ADD:0286431,13.97,C1(=CNc(c2C1=O)cccc2)[N+](=O)[O-],0.0
9086,CO-ADD:0299615,13.96,N1(c2ccc(cc2)OC(F)(F)F)C(=O)c3c(c(cccc4)c4C1=O)cccc3,0.0
9087,CO-ADD:0285749,13.96,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n1,0.0
9088,CO-ADD:0299761,13.96,[N+](=O)([O-])c(ccc(c1O2)OC23CCCC3)c1,0.0
9089,CO-ADD:0228414,13.96,c1(ccccc1Sc2ccccc2C#N)C(=O)NCc(ccc(c34)OCO3)c4,0.0
9090,CO-ADD:0299553,13.96,N(c1ccccc1OCC)C(=O)\C=C\C(O)=O,0.0
9091,CO-ADD:0230403,13.96,N(C=O)(C(NC(N1)=N)C12)C3C(N2C=O)NC(=N)N3,0.0
9092,CO-ADD:0286493,13.96,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCCc(cc3)ccc3Cl,0.0
9093,CO-ADD:0285063,13.96,N1(C(=O)CSC1=N)c2nonc2N,0.0
9094,CO-ADD:0299531,13.96,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccccc5OC(C)C)cccc4,0.0
9095,CO-ADD:0223197,13.96,[N+](=O)([O-])c(cc1\C=N\NC(=O)Cc2cccc(cccc3)c23)cc(c1OC(=O)c4ccco4)Br,0.0
9096,CO-ADD:0285589,13.96,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)\C=C/c4ccccc4)n1,0.0
9097,CO-ADD:0299540,13.96,C(=O)(N\N=C(\CCCC1)/C1)C(O)(c2ccc(cc2)OC)c3ccc(cc3)OC,0.0
9098,CO-ADD:0223718,13.96,c1(ccc(cc1O)O)C(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
9099,CO-ADD:0299957,13.96,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)Nc(cc3)ccc3SC(F)F)C4CC4,0.0
9100,CO-ADD:0291994,13.95,N1(C(=O)Cc(cc2)ccc2C)N=C(CC1(O)c3ccc(cc3)Br)CC,0.0
9101,CO-ADD:0230646,13.95,c1(c2nc3c(cccc3)n1)\C(=N/c(cc4)ccc4OC)\c5c2cccc5,0.0
9102,CO-ADD:0291523,13.95,C(=O)(N(CC1)CCN1c2cccc(Cl)c2)c3c(cccc3Cl)Cl,0.0
9103,CO-ADD:0235018,13.95,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c3cccc(Cl)c3Cl,0.0
9104,CO-ADD:0299652,13.95,C(=O)(CN1CCC(CC1)C)Nc(ccc(c23)cccc2)c3,0.0
9105,CO-ADD:0285762,13.95,P(CCCC)(CCCC)(=O)c(cc1)ccc1C(O)=O,0.0
9106,CO-ADD:0291584,13.95,C1(C2C(C)c3ccccc3)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
9107,CO-ADD:0286918,13.95,C(F)(F)(F)Oc(cc1)ccc1NC(COC(=O)\C=C/c2ccco2)=O,0.0
9108,CO-ADD:0291841,13.95,c1(cnc(NC(COc(cc2)ccc2C(C)C)=O)s1)S(=O)(=O)c(cc3)ccc3[N+](=O)[O-],0.0
9109,CO-ADD:0285383,13.95,c1(N(CC2)CCN2C(C)=O)sc(c3n1)cccc3,0.0
9110,CO-ADD:0286399,13.95,C(C#N)(C(CC(N1)=O)c(ccs2)c2)=C1SCC(OC)=O,0.0
9111,CO-ADD:0228677,13.95,S1(=O)(=O)c(cccc2)c2C(N(C)N)=N1,0.0
9112,CO-ADD:0223721,13.95,c1(ccc(cc1OC)OC)C(=O)N\N=C\c(ccc(c2O)O)c2,0.0
9113,CO-ADD:0228255,13.95,C1(C)(C)C(C1(C)C)C(=O)Nc2cccc(C)c2C,0.0
9114,CO-ADD:0286697,13.95,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCC(=O)c4cc(sc4Cl)Cl)N3c5ccccc5,0.0
9115,CO-ADD:0332207,13.95,C1(C(OCCSC)=O)=C(C)NC(=O)NC1c(cc2)ccc2C(C)C,0.0
9116,CO-ADD:0332184,13.95,C(C(=O)c1ccc(cc1)Br)(C2c3ccccc3F)=C(O)C(N2CCCC(O)=O)=O,0.0
9117,CO-ADD:0331827,13.95,n1(c2ccc(cc2)OC)nnnc1SCC=C,0.0
9118,CO-ADD:0332530,13.95,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4cccc(OC)c4)[N+](=O)[O-],0.0
9119,CO-ADD:0332394,13.95,C1(C(F)(F)F)(C(F)(F)F)NC(=O)N(C2=N1)C=CC=C2C,0.0
9120,CO-ADD:0331971,13.95,c(c1N)(sc2c1cc(c3n2)CCC3)C(=O)N(c4ccccc4)c5ccccc5,0.0
9121,CO-ADD:0331875,13.95,S(=O)(=O)(N(CC1)CCN1C(OCC)=O)c2cc(C)ccc2OC,0.0
9122,CO-ADD:0332452,13.95,c1(c2ccccc2F)nnn(CC(=O)Nc(cc3)ccc3Br)n1,0.0
9123,CO-ADD:0332580,13.95,[N+](=O)([O-])c1ccc(cc1NC(C)C23CC4CC(CC(C4)C2)C3)N(CC5)CCN5C(C)=O,0.0
9124,CO-ADD:0330864,13.94,c(c1CCCC2)(n3cc1c4ccc(cc4)Cl)n2c(n3)c5ccc(cc5)C,0.0
9125,CO-ADD:0331297,13.94,C12=C(CC(c3ccc(cc3)C)CC1=O)Nc(c4NC2c5cccc(O)c5)cccc4,0.0
9126,CO-ADD:0330841,13.94,c1(OC)nc(Cl)cc(C)c1C(NCC=C)=O,0.0
9127,CO-ADD:0330977,13.94,c1(scc(OCCO2)c12)C(=O)N3CCC(CC3)C,0.0
9128,CO-ADD:0330985,13.94,C(=O)(Nc(ccc(n1)OC)c1)c(cc2OC)cc(c2OC)OC,0.0
9129,CO-ADD:0332082,13.94,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3ccc(cc3)OC,0.0
9130,CO-ADD:0331863,13.94,c1(NC2CC2)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
9131,CO-ADD:0332343,13.94,S(=O)(=O)(N(CC1)CCC1(C(N)=O)N2CCCCC2)c3ccccc3[N+](=O)[O-].Cl,0.0
9132,CO-ADD:0332177,13.94,c(nnc1c2ccccc2F)(o1)c(c(C)nc(c3C(OCC)=O)C)c3,0.0
9133,CO-ADD:0332321,13.94,N1(CC2C)CC(C2O)(C)CNC1c3ccc(c(OC)c3)OC,0.0
9134,CO-ADD:0331162,13.94,c1(COc2ccccc2)nc(c3n1C(C)C)cccc3,0.0
9135,CO-ADD:0330752,13.94,C(O)(C(OC)=O)(c1ccc(cc1C)O)C(F)(F)F,0.0
9136,CO-ADD:0330901,13.94,C12=C(CCc(cccc3)c13)C(c4ccccc4)Sc(cccc5)c5N2,0.0
9137,CO-ADD:0331381,13.94,N12C(c3c(cccc3)CC1(C)C)=C(C(=O)C2=O)C(NCC)=O,0.0
9138,CO-ADD:0332402,13.94,C(C(OC)=O)(NNc1ccccc1C)(C(F)(F)F)NC(=O)c2ccc(cc2)F,0.0
9139,CO-ADD:0332424,13.94,C(C(OC)=O)(C(F)(F)F)(Nc1sc(c2n1)cccc2C)NC(=O)c3ccccc3C,0.0
9140,CO-ADD:0332056,13.94,C12=C(CC3(CCCCCCC3)OC1=O)c4c(ccc5c4cccn5)NC2c6ccc(cc6OC)OC,0.0
9141,CO-ADD:0332152,13.94,c1(C2=O)c(cn(c3ccc(cc3)F)c1c4ccccc4)N(C(=O)N2C)C,0.0
9142,CO-ADD:0331864,13.94,c(OC(C(F)(F)F)C(F)(F)F)(nc(NC(C)(C)C)nc1OC(C(F)(F)F)C(F)(F)F)n1,0.0
9143,CO-ADD:0331900,13.93,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3ccc(cc3OC)C,0.0
9144,CO-ADD:0330725,13.93,c12c(cc(OCO3)c3c1)NC(CC2c4ccccc4C(F)(F)F)=O,0.0
9145,CO-ADD:0330781,13.93,N(\C(=C\c(ccc(c1OC)OCCC)c1)\C(O2)=O)=C2c3ccc(cc3)F,0.0
9146,CO-ADD:0330797,13.93,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)OCC#N,0.0
9147,CO-ADD:0331757,13.93,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OCC)c4)O,0.0
9148,CO-ADD:0331239,13.93,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc2C(=O)N(C)c4ccc(cc4)OC(F)(F)Cl,0.0
9149,CO-ADD:0331208,13.93,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(cc3)ccc3OC(F)(F)Cl)n2)Cc(ccc(c4OCC)OCC)c4,0.0
9150,CO-ADD:0331224,13.93,n1(c2ccc(cc2)OC(F)(F)F)nnnc1SCC(=O)Nc3ccccc3Cl,0.0
9151,CO-ADD:0332493,13.93,N(C(=O)\C(\S1)=C/c2ccc(cc2OC)OC)=C1N(CC3)CCN3Cc4ccccc4,0.0
9152,CO-ADD:0331380,13.93,c1(C(=O)c2ccc(cc2)Cl)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)cccc3,0.0
9153,CO-ADD:0331054,13.93,n1(c2c(cccc2)CN3)c(ccc1)C3c4ccccc4.Cl,0.0
9154,CO-ADD:0332071,13.93,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)NC(c(cccc3[N+](=O)[O-])c3)CC(OCC)=O,0.0
9155,CO-ADD:0331139,13.93,n1(CCc2ccccc2)c3c(nc1COc4ccc(cc4Cl)Cl)cccc3,0.0
9156,CO-ADD:0331722,13.93,N(NC(=O)c1ccc(cc1)Cl)(C(CC(=O)Nc(cc2)ccc2C(OCC)=O)C(N3C)=O)C3=S,0.0
9157,CO-ADD:0330747,13.93,C(O)(C(O)=O)(c1ccc(c(OC)c1)OC)C(F)(F)F,0.0
9158,CO-ADD:0331878,13.93,S(=O)(=O)(N(CC1)CCN1C(OCC)=O)c2ccc(c(Cl)c2OC)Cl,0.0
9159,CO-ADD:0330764,13.92,C12=C(CC(C(C(OC)=O)C1=O)C)Nc(c3NC2c4cccc(F)c4)cccc3,0.0
9160,CO-ADD:0331250,13.92,n1(c2c(cccc2)CNC3c4cc(OC)ccc4F)c3ccc1.Cl,0.0
9161,CO-ADD:0332505,13.92,C(=O)(C(c1ccccc1)c2ccccc2)Nc3c(CCC)cc(c4c3)OCO4,0.0
9162,CO-ADD:0332126,13.92,c12c(C(c(cccc3[N+](=O)[O-])c3)SCC(=O)N1)c(nn2C4CCCCC4)O,0.0
9163,CO-ADD:0331724,13.92,C1(=S)N(NC(=O)c2cccc(F)c2)C(C(=O)N1c(cc3)ccc3C(OCC)=O)CC(=O)Nc(cc4)ccc4F,0.0
9164,CO-ADD:0330780,13.92,C1(c2ccccc2F)=N\C(\C(=O)O1)=C\c3cccc(OCC)c3,0.0
9165,CO-ADD:0331029,13.92,c1(Sc2cccn2C)nc(C)nc(O)c1C(F)(F)F,0.0
9166,CO-ADD:0331069,13.92,n1c2c([nH]c1COc3ccccc3C)cccc2,0.0
9167,CO-ADD:0331085,13.92,n1(Cc2ccccc2Cl)c3c(nc1COc4cccc(cccc5)c45)cccc3,0.0
9168,CO-ADD:0331237,13.92,c(cc1N(CC)S(=O)(=O)c2cccc(c2n3)ns3)ccc1C(O)=O,0.0
9169,CO-ADD:0331645,13.92,n(cnn1)(C(c2c(cccc2)CC34CCCCC3)=C4C(N5c6cccc(OC)c6)=O)c15,0.0
9170,CO-ADD:0331527,13.92,N(CC1)(CCO1)CCC(O)c2ccccc2,0.0
9171,CO-ADD:0331548,13.92,c([N+](=O)[O-])(c(C)nn1CC(=O)N(CC2)CCN2C34CC(CC5C3)CC(C5)C4)c1C,0.0
9172,CO-ADD:0331039,13.92,C12=C(C=C(C)OC1=O)O\C(=C(/C(F)(F)F)\C(F)(F)F)\S2,0.0
9173,CO-ADD:0331047,13.92,C1(=Cc2c(OC1=O)cccc2)C3=NC4(Cc(cccc5)c35)CCCCC4,0.0
9174,CO-ADD:0332111,13.91,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)N(CC3)CCN3c4ccc(c(C)c4)C,0.0
9175,CO-ADD:0331195,13.91,c(nc1c(c2C(F)(F)F)CCc(cccc3)c13)(c4Cl)n2nc4C(=O)N(C)c5ccc(cc5)OC(F)(Cl)F,0.0
9176,CO-ADD:0331173,13.91,n1c2c([nH]c1COc(cc3)ccc3OC)cccc2,0.0
9177,CO-ADD:0331837,13.91,n1(c2c(nn1)cccc2)C(c3ccccc3)NC(=O)c4ccc(cc4)C,0.0
9178,CO-ADD:0332270,13.91,C1(c2ccccc2F)=Nc3c(ccc(Cl)c3)C(=O)O1,0.0
9179,CO-ADD:0332354,13.91,C(/C#N)(=C/c1ccco1)\C(=O)Nc(cc2)ccc2SC#N,0.0
9180,CO-ADD:0332268,13.91,N1(OC(=O)c2cccc(OC)c2)C(=O)c(c3C1=O)cccc3,0.0
9181,CO-ADD:0332182,13.91,C(C(=O)c1ccc(cc1)F)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCCC(O)=O)=O,0.0
9182,CO-ADD:0331830,13.91,C(=C\c(ccc(c1[N+](=O)[O-])C(C)C)c1)(/C2=O)\Sc(c23)cccc3,0.0
9183,CO-ADD:0331846,13.91,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(cc3)ccc3OCC(O)=O)\C1=O)=O,0.0
9184,CO-ADD:0331295,13.91,c1(c(C)c([nH]2)C)c2cc(C)c(N\C(\C)=C\C(OCC)=O)c1,0.0
9185,CO-ADD:0331407,13.91,c(C(OC)=O)(sc(c1C(F)(F)F)OC)c1O,0.0
9186,CO-ADD:0332208,13.91,C1(C(OCCCCC)=O)=C(C)NC(NC1c2ccc(Br)s2)=O,0.0
9187,CO-ADD:0331352,13.91,N12c(c(C(C)=CC1(C)C)c3)c(C(=O)C2=O)cc3OC(=O)c4ccccc4F,0.0
9188,CO-ADD:0331666,13.91,C1(=S)N(NC(=O)c2ccc(cc2)Cl)C(C(=O)N1c3ccc(cc3)F)CC(=O)Nc(cc4)ccc4OC,0.0
9189,CO-ADD:0330899,13.91,n(nnn1)(C2c3ccc(cc3)F)c1NC(C(OC)=O)=C2C(c4ccccc4)=O,0.0
9190,CO-ADD:0332487,13.9,C(/c(cc1)ccn1)(\c2ccc(cc2)Cl)=N\O,0.0
9191,CO-ADD:0331314,13.9,C1(C(F)(F)F)(NC(c(cc2)ccn2)=O)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)C)=O,0.0
9192,CO-ADD:0330882,13.9,N1(N=C(\C(=C(/C)\NCc2ccccc2)\C1=O)CC(OC)=O)c3sc(c4n3)cccc4,0.0
9193,CO-ADD:0332139,13.9,C(/C(c1ccccc1)=O)=C(/O)\C(=O)Nc(ccc(c2Br)C)c2,0.0
9194,CO-ADD:0332265,13.9,C(C#N)(C1c2ccc(cc2)Cl)=C(SCC(=O)Nc(cc3)ccc3C(O)=O)NC(C)=C1C(C)=O,0.0
9195,CO-ADD:0332313,13.9,n12c(SCC(c3ccc(cc3)OC)=N1)nnc2C(C)(C)C.Br,0.0
9196,CO-ADD:0330955,13.9,c1(C(O)=O)sc(c2c1n3cccc3)nc(cc2c4ccccc4)c5ccccc5,0.0
9197,CO-ADD:0331405,13.9,n1(C(C)CS2)c2nnc1c(cccc3[N+](=O)[O-])c3,0.0
9198,CO-ADD:0332415,13.9,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2Cl)NC3=C1C(=O)N(C)C(N3C)=O,0.0
9199,CO-ADD:0330855,13.9,c1(cnccc1C(NCCc2ccccc2)=O)C(O)=O,0.0
9200,CO-ADD:0332118,13.9,C1(C(=O)NCc(cc2)ccc2OC)=Cc3c(OC1=O)ccc(OC)c3,0.0
9201,CO-ADD:0331443,13.9,C1(C(=O)Cc2ccccc2)=C(NCCc(ccc(c3OC)OC)c3)CC(C)(C)CC1=O,0.0
9202,CO-ADD:0330907,13.89,c1(nc(c2ccc(cc2)C)cc3C(F)F)n3ncc1C(=O)N(C)c4ccc(cc4)OC(F)(Cl)F,0.0
9203,CO-ADD:0330968,13.89,N(c(cc1)ccc1C(O)=O)(C(c2ccccc2)C=C3Nc(cc4)ccc4C(O)=O)C3=O,0.0
9204,CO-ADD:0332075,13.89,S(=O)(=O)(N(CC1)CCN1C(OCC)=O)c2c(C)cc(c(OC)c2)C,0.0
9205,CO-ADD:0332472,13.89,c1(NC(=O)c(cc2)ccc2C(=O)Nc3sc(c4c3C(OCC)=O)CCCC4)sc(c5c1C(OCC)=O)CCCC5,0.0
9206,CO-ADD:0331736,13.89,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c(cc(OC)c(c5[N+](=O)[O-])O)c5,0.0
9207,CO-ADD:0330800,13.89,c1(N(c2ccccc2)c3ccccc3)nc(SCC(OCC)=O)nc(SCC(OCC)=O)n1,0.0
9208,CO-ADD:0331232,13.89,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(NCCc(c2c([nH]3)ccc(OC)c2)c3C)=O)Cl)c1,0.0
9209,CO-ADD:0332536,13.89,c1(cc(C)c(cc1Cl)NC(=S)NC(=O)c2ccccc2Cl)[N+](=O)[O-],0.0
9210,CO-ADD:0331446,13.89,c12c(cc(C#N)c(C#N)c1)N3C(CCCC3)C(CCCC4)N24,0.0
9211,CO-ADD:0330910,13.89,C1(NCCNC1=O)(c(cc(C)c(c2C)O)c2)C(F)(F)F,0.0
9212,CO-ADD:0331713,13.89,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
9213,CO-ADD:0331137,13.89,n1(Cc2ccc(cc2Cl)Cl)c3c(nc1COc4ccccc4)cccc3,0.0
9214,CO-ADD:0331145,13.89,n(Cc1ccccc1Cl)(c2c(n3)cccc2)c3C,0.0
9215,CO-ADD:0331094,13.89,c1(COc(cc2)ccc2C)n(CCC)c3c(cccc3)n1,0.0
9216,CO-ADD:0330923,13.89,c1(C(=O)Nc(cccc2C(F)(F)F)c2)sc3c(c(C)cc(C)n3)c1N,0.0
9217,CO-ADD:0330939,13.89,c1(C#N)c(COC)cc(nc1SCC[N+](C)(C)CC(=O)c2ccc(cc2)Br)C.[Br-],0.0
9218,CO-ADD:0330812,13.88,c1(n2cccc2)c(c(COC)cc(n3)C)c3sc1c(cc4)ccc4[N+](=O)[O-],0.0
9219,CO-ADD:0330846,13.88,c(c(C)nc(c1C#N)Oc2cccc(N)c2)(c1C)[N+](=O)[O-],0.0
9220,CO-ADD:0331397,13.88,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(=O)(=O)Nc4onc(C)c4C)n1)c5c(cccc5)n2CC=C,0.0
9221,CO-ADD:0331103,13.88,n1(Cc2ccccc2Cl)c3c(nc1c4cccs4)cccc3,0.0
9222,CO-ADD:0331201,13.88,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc3c(C)cc(cc3C)C)n2)Cc(ccc(c4OCC)OCC)c4,0.0
9223,CO-ADD:0332146,13.88,c(c1c2ccccc2)(C3=O)c(cn1c4ccccc4N)N(C(=O)N3C)C,0.0
9224,CO-ADD:0330802,13.88,n1(cc(nn1)c2ccccc2)c(n3)nc(nc3N(CC4)CCO4)N(CC5)CCO5,0.0
9225,CO-ADD:0164005,13.88,O=C(N1N(S(=O)(C2=CC=C([N+]([O-])=O)C=C2)=O)CC(C)C1O)OC(C)(C)C,0.0
9226,CO-ADD:0163262,13.88,c(n[nH]c1[N+](=O)[O-])([N+](=O)[O-])n1,0.0
9227,CO-ADD:0163670,13.88,c1(C(=O)N\N=C\c(ccc2c3ccc(cc3)Br)o2)c(O)cc(c4c1)cccc4,0.0
9228,CO-ADD:0163678,13.88,C(=O)(N\N=C\c(cc1)ccc1Br)C(=O)Nc2cc(C)ccc2C,0.0
9229,CO-ADD:0163102,13.88,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc(cc3)ccc3C(OCCCC)=O,0.0
9230,CO-ADD:0163993,13.88,O=C(N1N(S(=O)(C2=CC=C([N+]([O-])=O)C=C2)=O)C3C(CCC3)C1O)OC(C)(C)C,0.0
9231,CO-ADD:0163245,13.88,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\N(c3ccccc3)c4ccccc4)o2)Cl)c1,0.0
9232,CO-ADD:0163293,13.88,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(cc2)ccc2C)c1,0.0
9233,CO-ADD:0163061,13.88,c1(C#N)c2c(sc1\N=C\c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3)CCC2,0.0
9234,CO-ADD:0164002,13.88,O=C(N1N(S(=O)(C2=CC=C([N+]([O-])=O)C=C2)=O)CC(CC3=CC=CC=C3)C1=O)OC(C)(C)C,0.0
9235,CO-ADD:0163553,13.88,c1(c(C)cccc1C)OCC(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
9236,CO-ADD:0163275,13.88,c1(cc(\C=N\NC(c(cc2)ccn2)=O)cc(OC)c1O)[N+](=O)[O-],0.0
9237,CO-ADD:0158797,13.87,FC1=C(C(F)(F)F)C(F)=C(F)C(NCCCCNC2=NC(OC(C(F)(F)F)C(F)(F)F)=NC(OC(C(F)(F)F)C(F)(F)F)=N2)=C1F,0.0
9238,CO-ADD:0157933,13.87,C1(C(NCCC2=CC=CC=C2)=NC=N3)=C3C(C=CC=C4)=C4O1.Cl,0.0
9239,CO-ADD:0157264,13.87,O=C(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)N/N=C/C2=C(C=CC=C3)C3=CC=C2O,0.0
9240,CO-ADD:0158372,13.87,O=C(COC(C=C1)=CC=C1C)N/N=C/C2=CC=C(C(O)=C2)O,0.0
9241,CO-ADD:0157257,13.87,[O-][N+](C1=CC(C)=CC(C)=C1N/C=C2C(N(C3=CC=C(Cl)C=C3)N=C/2C)=O)=O,0.0
9242,CO-ADD:0158438,13.87,O=C(NC1=CC=C(C=C1)C(NC2=CC=CC=C2C)=O)C(C)(C)CC(C)(C)C,0.0
9243,CO-ADD:0157354,13.87,O=C(COC1=CC=C(CCCCC)C=C1)N/N=C/C2=C(OCC)C=CC3=C2C=CC=C3,0.0
9244,CO-ADD:0158434,13.86,O=C(N/N=C/C1CC=CCC1)C(C=CC=C2)=C2O,0.0
9245,CO-ADD:0158375,13.86,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(OC2=CC(/C=N/C3=CC=CC=C3Br)=CC=C2)=O)=C1)=O,0.0
9246,CO-ADD:0158431,13.86,O=C(NC1=CC=C(C=C1)C(NC2=CC=C(OC)C=C2)=O)C3=CC=CC=C3C(C4=CC=CC=C4)=O,0.0
9247,CO-ADD:0158439,13.86,O=C(C(C=C1)=CC=C1NC(CCC)=O)N(C2=CC=CC=C2)C3=CC=CC=C3,0.0
9248,CO-ADD:0158447,13.86,O=C(NC1=CC=C(C=C1)C(NC2=CC=CC=C2OCC)=O)C(C)(C)CC(C)(C)C,0.0
9249,CO-ADD:0157743,13.86,[O-][N+](C1=CC=CC=C1/C=N/NC(C(NC(C(C)=C2)=CC=C2Cl)=O)=O)=O,0.0
9250,CO-ADD:0158503,13.86,O=C1OC(C2=CC=CC=C2OC)=N/C1=C/C3=CC=C(C4=CC=C(Br)C=C4)O3,0.0
9251,CO-ADD:0158608,13.86,O=S(NC1=CC(C(C)=O)=CC=C1)(C(C=C2)=CC=C2OC3=CC=C(C=C3)[N+]([O-])=O)=O,0.0
9252,CO-ADD:0156945,13.86,[O-][N+](C1=CC=CC=C1C(NC2=CC([N+]([O-])=O)=CC=C2O)=O)=O,0.0
9253,CO-ADD:0157650,13.86,N#CC1=C(SCC(CC(OCC)=O)=O)N=C(C2=CC=CS2)C=C1C(C=C3)=CC=C3F,0.0
9254,CO-ADD:0157666,13.86,S=C(NC1=O)NC(C1=CC(C=C2)=CC=C2Br)=O,0.0
9255,CO-ADD:0156946,13.86,O=C(C1=CC=CC=C1)NC2=NN=C(C(C=CC=C3)=C3F)S2,0.0
9256,CO-ADD:0158035,13.86,O=S(N(C1=CC(Cl)=CC=C1)CC(NCCC2=CC=C(C=C2)Cl)=O)(C3=CC=C(C)C=C3)=O,0.0
9257,CO-ADD:0156943,13.86,O=C(C1=CC(C(NC2=CC=CC=C2)=O)=CC=C31)N(C(C=C4)=CC=C4/N=N/C5=CC=CC=C5)C3=O,0.0
9258,CO-ADD:0157672,13.86,O=C(NCCOC1=CC(OC)=CC=C1)NC(C=C2F)=C(Cl)C=C2F,0.0
9259,CO-ADD:0158088,13.85,FC(F)(F)C1=C(C2=CC=CC3=CC=CC=C23)SC(NC4=CC(Cl)=CC=C4Cl)=N1,0.0
9260,CO-ADD:0158036,13.85,O/C(C1=CC=C(OC)C=C1)=C\C=N\C2=CC=C(C)C=C2,0.0
9261,CO-ADD:0157692,13.85,O=S(N(C1=CC=CC=C1)CC2=CC=C(C=C2)C(N3CCOCC3)=O)(C4=CC=CC=C4)=O,0.0
9262,CO-ADD:0157685,13.85,FC1=CC(CSC2=NN=C(C)S2)=CC=C1OC,0.0
9263,CO-ADD:0156893,13.85,[O-][N+](C1=CC(Cl)=C(C=C1)C2=CC=C(/C=N/C3=C(Cl)C=CC(Cl)=C3)O2)=O,0.0
9264,CO-ADD:0156928,13.85,O=C1N(C2=CC=CC=C2)C(C(C)=C1)=O,0.0
9265,CO-ADD:0157440,13.85,O=C(C1=CC(Br)=CC=C1)N/N=C/C2=CC=C(O2)SC3=NC(C=CC=C4)=C4N3,0.0
9266,CO-ADD:0158065,13.85,O=C(N/N=C/C1=CC=CC=C1O)CN(C)C2=CC=CC=C2,0.0
9267,CO-ADD:0157697,13.85,N#CC(C#N)C(C1=CC=CC=C1OC)C2=C(O)NN=C2C,0.0
9268,CO-ADD:0157729,13.85,O=C(N/N=C/C1=CC=CC=C1OCC2=CC=CC=C2Cl)C3=C(O)C=C4C=CC=CC4=C3,0.0
9269,CO-ADD:0156940,13.85,O=C(NCCO)C(C1)N1CCCC(NCCO)=O,0.0
9270,CO-ADD:0155357,13.85,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCC(N/N=C/C3=CC(OC)=CC=C3)=O,0.0
9271,CO-ADD:0155022,13.84,S=C(O1)N(C2=C1C=CC=C2)[C@@H](C3)[C@@H](CO4)O[C@@H]4C3=O,0.0
9272,CO-ADD:0155054,13.84,O=C(O)CCC1=NC(C2=CC=C(OC)C=C2)=NO1,0.0
9273,CO-ADD:0155742,13.84,O=C(O1)C(C(OCC(C2=CC=C(Br)C=C2)=O)=O)=CC3=C1C=CC=C3,0.0
9274,CO-ADD:0155278,13.84,O=C(N1C)/C(C2=CC=CC=C21)=N\C3=C(C)C=C(C)C=C3,0.0
9275,CO-ADD:0155286,13.84,O=S(C(C=C1)=CC=C1NC(C2=CC=CC3=CC=CC=C23)=O)(C(C=C4)=CC=C4NC(C5=CC=CC6=CC=CC=C56)=O)=O,0.0
9276,CO-ADD:0160290,13.84,O=C(COC1=CC(C=CC=C2)=C2C=C1)N/N=C/C3=CC(Br)=C(OC)C=C3,0.0
9277,CO-ADD:0155973,13.84,O=C(C(NCCCCCCCCCCCC)=O)NC1=NC=CS1,0.0
9278,CO-ADD:0155326,13.84,O=C(C1=CC=CC(C)=C1)NC2=CC=CC=C2C(O)=O,0.0
9279,CO-ADD:0157398,13.84,[O-][N+](C(C=C1)=CC=C1NC(N=C(NC2=CC=CC=C2)N/3)=NC3=N/N)=O,0.0
9280,CO-ADD:0300636,13.84,C(C(=O)OCc(cc1)ccc1OC)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(F)c4)F,0.0
9281,CO-ADD:0157163,13.84,O=C(NCCOC1=C(C=CC=C1)Cl)C2=CC=CC=C2I,0.0
9282,CO-ADD:0157739,13.84,O=C(COC1=CC=CC(C)=C1)N/N=C/C2=CC(Br)=C(Br)O2,0.0
9283,CO-ADD:0160046,13.84,O=C(/C1=C/C2=CC=CS2)N(N=C1C)C3=CC=C(Br)C=C3,0.0
9284,CO-ADD:0161615,13.84,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(=O)c3ccccn3,0.0
9285,CO-ADD:0161139,13.83,c1(\C=N\NC(CCC(=O)Nc(cc2)ccc2Cl)=O)cc(OC)ccc1O,0.0
9286,CO-ADD:0161576,13.83,c1(\C=N\NC(COc(cc2)ccc2I)=O)c3c(cccc3)cc(cccc4)c14,0.0
9287,CO-ADD:0161608,13.83,c1(O)c(Br)cc(cc1Br)\C=N\NC(=O)CCOc2cccc(Br)c2,0.0
9288,CO-ADD:0158039,13.83,O=C(N/N=C/C=C(O)/C(C=C1)=CC=C1Cl)C2=CC=C(OC)C=C2,0.0
9289,CO-ADD:0157663,13.83,N#CC1=C(SCC(NC2=CC(C(F)(F)F)=CC=C2)=O)N=C(C)C=C1C(F)(F)F,0.0
9290,CO-ADD:0155071,13.83,O=C1NC(CSC2=NC(NC3=CC=CC=C43)=C4N=N2)=C(C(CCCCC(OCC)=O)=O)N1,0.0
9291,CO-ADD:0160197,13.83,BrC1=C(O)C(/C=N/C2=CC=CC(C3=NC(C=C4)=C(C=C4C)O3)=C2)=CC(Cl)=C1,0.0
9292,CO-ADD:0230114,13.83,c1(Br)c(ccc(cccc2)c12)OCC(=O)N\N=C\c3ccccc3OCc4cccc(Br)c4,0.0
9293,CO-ADD:0160293,13.83,[O-][N+](C1=CC(/C=N/NC(CNC(C=CC=C2)=C2OC)=O)=C(N3CCOCC3)C=C1)=O,0.0
9294,CO-ADD:0228145,13.83,c1(NCC(=O)N\N=C/c(cc2)ccc2Cl)c(Br)cc(cc1Br)Cl,0.0
9295,CO-ADD:0160652,13.83,C1(N2C(SC3=NC4=CC=CC=C4O3)=NC=N2)=NC5=CC=CC=C5O1,0.0
9296,CO-ADD:0160268,13.82,ClC1=CC=C(Cl)C=C1C2=CC=C(/C=N/C3=CC=C(C=C3)C(O4)=NC5=C4C=C(C)C=C5)O2,0.0
9297,CO-ADD:0230541,13.82,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(C)c1)C(=O)Nc(cc2)ccc2CC,0.0
9298,CO-ADD:0230461,13.82,C(=O)(C(c1ccccc1)c2ccccc2)NCC(OCc3ccccc3)=O,0.0
9299,CO-ADD:0161335,13.82,c1(C#N)c(c2cccs2)cc(nc1SCC(=O)c3ccc(cc3)Br)c4cccs4,0.0
9300,CO-ADD:0161488,13.82,c12c(non1)NC(=O)C(Nc(ccc(c3C)C)c3)=N2,0.0
9301,CO-ADD:0305111,13.82,C(=C/c(cc1Br)cc(c1O)Br)(/C(O)=NN2c(cc3)ccc3C(OCC)=O)\C2=O,0.0
9302,CO-ADD:0160415,13.82,O=C(CCCC(C(C)=C1)=CC=C1OC)N/N=C/C2=C(Cl)C=C(Cl)C=C2,0.0
9303,CO-ADD:0160603,13.82,NC1=NC(C2=CC=CC=C2)=C(NC(C)=O)S1,0.0
9304,CO-ADD:0160275,13.82,[O-][N+](C1=CC=CC=C1/C=C/C=N/C2=CC(N=C(C3=CC=CC(Br)=C3)O4)=C4C=C2)=O,0.0
9305,CO-ADD:0161551,13.82,S(N)(=O)(=O)c(ccc(c1NC(=O)Nc2cccc(c2)NC(=O)Nc(c(C)ccc3S(N)(=O)=O)c3)C)c1,0.0
9306,CO-ADD:0161602,13.82,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)N(CC)CC)c1,0.0
9307,CO-ADD:0155239,13.81,NC1=C(C(C)=O)C(C)=NC2=NON=C21,0.0
9308,CO-ADD:0155359,13.81,O=C1C(C(C(NC2=CC=CC=C2)=O)=CC=C3)=C3C4=C1C=CC=C4,0.0
9309,CO-ADD:0229947,13.81,C(=C\c1ccc(C)o1)(/C(=O)OC(O2)(C)C)\C2=O,0.0
9310,CO-ADD:0229969,13.81,N1(c2cccc(Br)c2)C(=O)C(CC1=O)SCC(=O)Nc(ccc(c34)cccc3)c4,0.0
9311,CO-ADD:0230881,13.81,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])\C(\c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c23)=C/C=C/c4ccccc4,0.0
9312,CO-ADD:0161112,13.81,C(=O)(N\N=C\c(cccn1)c1)C(C)Oc(cc2)ccc2Br,0.0
9313,CO-ADD:0161504,13.81,c1(C(OC)=O)sc2c(c(C)cc(C)n2)c1N,0.0
9314,CO-ADD:0161144,13.81,c(\C=N\NC(COc1ccccc1C)=O)(cc(OC)c(c2)OC)c2OC,0.0
9315,CO-ADD:0160453,13.81,FC(C(F)(F)C(F)(F)C(NC(CCCC)C(O)=O)=O)(F)C(F)(F)C(F)(F)C(F)(F)F,0.0
9316,CO-ADD:0160461,13.81,[O-][N+](C1=CC=CC=C1/C=N/NC(COC(C=C2)=CC=C2C)=O)=O,0.0
9317,CO-ADD:0159997,13.81,O=C(N/N=C/C1=CC(Br)=C(O)C(Br)=C1O)/C(NC(C2=CC=CC=C2)=O)=C\C3=CC(OCO4)=C4C=C3,0.0
9318,CO-ADD:0155688,13.81,S=C(S/1)N(CNC2=CC=CC(F)=C2)C(C1=C/C3=CC=C(C=C3)C(OC)=O)=O,0.0
9319,CO-ADD:0155032,13.81,N#CC1(C#N)[C@]2([H])N([C@H](C(C3=CC=CC=C3)=O)[C@H]1C4=CN=CC=C4)C(C=CC(Cl)=C5)=C5C=C2,0.0
9320,CO-ADD:0155064,13.81,[N+]1(C2=NON=C2N3CCOCC3)=NC4=NON=C4[N-]1,0.0
9321,CO-ADD:0155224,13.81,O=C(NCC1OCCC1)C2=C(C=CC=C3)C3=C(F)C=C2,0.0
9322,CO-ADD:0304638,13.81,n12c(C(C3C(n4c(C)cc(C)n4)=N1)C=CC=C3)nnc2C(F)(F)C(F)(F)C(F)(F)F,0.0
9323,CO-ADD:0158483,13.81,O=C(C(C=C1)=CC=C1OC)NC2=CC=C(C=C2)C(N/N=C/C(C(OC)=C3)=CC=C3OC)=O,0.0
9324,CO-ADD:0155074,13.81,N#CC1=C([O-])N(C(C([N+]2=CC=CC=C2)C1C3=CC=C(C=C3)[N+]([O-])=O)=O)CCC4=CC=CC=C4,0.0
9325,CO-ADD:0155011,13.8,N#CC([C@@H]1C(C=C2Cl)=CC=C2Cl)=C([S-])N[C@](C3=CC=CC=C3)(O)[C@@H]1[N+]4=CC=C5C=CC=CC5=C4,0.0
9326,CO-ADD:0155691,13.8,O=C(N/N=C/C1=CC=C(Br)S1)C(C=CC=C2)=C2OCC3=CC=CC=C3,0.0
9327,CO-ADD:0161264,13.8,C(C#N)(=C(N)OC(=C12)CCCC1=O)C2c3cccc(c3)OCc4ccccc4,0.0
9328,CO-ADD:0159771,13.8,O=C(O1)C(OC2=CC=CC=C2)=C(Br)C1CC(C)=O,0.0
9329,CO-ADD:0161108,13.8,c1(C#N)c(SCc2ccccc2)nsc1SCc3ccccc3,0.0
9330,CO-ADD:0161548,13.8,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(COc(ccc(c23)cccc2)c3)=O,0.0
9331,CO-ADD:0159775,13.8,O=C(C1=CC=CC(OC)=C1)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3,0.0
9332,CO-ADD:0161553,13.8,C(c1ccccc1)(=O)NC(C)C(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
9333,CO-ADD:0159876,13.8,O=C(C1=C2C=CC(C(OCCC)=O)=C1)N(C3=CC=CC4=C3C=CC=C4)C2=O,0.0
9334,CO-ADD:0159993,13.8,O=C(N/N=C/C1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)CN(C4=CC=CC=C4)C3,0.0
9335,CO-ADD:0155001,13.8,S=C(NC(C)=C1)C(C(O/2)=O)=C1C2=C/C(C=C3)=CC=C3Br,0.0
9336,CO-ADD:0155297,13.8,O=C(CCCCCCCCCCC(NC1=CC=C(N(CC)CC)C=C1)=O)NC2=CC=C(C=C2)N(CC)CC,0.0
9337,CO-ADD:0155313,13.8,S=C(OC1=CC(C(NC2=CC=C(Br)C=C2)=O)=CC=C1)NC3=CC=C4C=CC=CC4=C3,0.0
9338,CO-ADD:0155233,13.8,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC=C(C=C3)OC(C(C=CC=C4)=C4OC(C)=O)=O)=C(C)N1C,0.0
9339,CO-ADD:0155337,13.8,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC(C(C)=C3)=C(C)C=C3Br,0.0
9340,CO-ADD:0156018,13.8,O=C1C2=C(C(C(NC)=O)=CC=C2)C3=C1C=CC=C3,0.0
9341,CO-ADD:0155059,13.8,C(N1C2CCCCC2)(N1)C(N3)N3C4CCCCC4,0.0
9342,CO-ADD:0155323,13.8,O=C(C1=CC(C(NC2=CC(C)=CC=C2)=O)=CC=C31)N(C3=O)C(C=C4)=CC=C4OC5=CC=C(C=C5)N(C6=O)C(C7=CC(C(NC8=CC(C)=CC=C8)=O)=CC=C67)=O,0.0
9343,CO-ADD:0160483,13.8,BrC1=CC=C(C=C1)/C=N/C(C2=CC=C3)=CC=CC2=C3/N=C/C4=CC=C(Br)C=C4,0.0
9344,CO-ADD:0160003,13.79,O=C(N/N=C(C)/C1=CC=C(Br)C=C1)C2C3C2CCCC3,0.0
9345,CO-ADD:0159886,13.79,NC1=NON=C1/C(NC(C=CC=C2)=C2OC)=N/O,0.0
9346,CO-ADD:0161083,13.79,C(CNc(cc1)ccc1I)(=O)N\N=C\c2cccc(Br)c2,0.0
9347,CO-ADD:0228496,13.79,C1(\N=C\c(ccc2Sc3nnnn3c4ccccc4)o2)=C(C)N(N(c5ccccc5)C1=O)C,0.0
9348,CO-ADD:0161507,13.79,n(c1N)c(SC)c(cc1C#N)C#N,0.0
9349,CO-ADD:0155187,13.79,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)N/N=C/C3=CC=C(C4=CC=C(Cl)C=C4)O3,0.0
9350,CO-ADD:0158795,13.79,OC(N(N=C1C)C2=CC=CC=C2)=C1C(C(C=C3)=CC=C3OC(C4=CC(C)=CC=C4)=O)C5=C(O)N(N=C5C)C6=CC=CC=C6,0.0
9351,CO-ADD:0155251,13.79,O=C(N/N=C/C1=CC=C(C)O1)C2(C[C@H]3C4)C[C@H]4C[C@H](C3)C2,0.0
9352,CO-ADD:0155363,13.79,O=C(COC1=CC=C(OC)C=C1)NC2=NC=CS2,0.0
9353,CO-ADD:0159724,13.79,N#CC(C(C(F)(F)F)=C1)=C(SCCCC)N=C1C2=CC=CS2,0.0
9354,CO-ADD:0160525,13.79,OC1=C(CCCCC)C(C(C2=C1C=CC=C2)=N3)=NC4=C3C=C(C=CC=C5)C5=C4,0.0
9355,CO-ADD:0160459,13.79,O=C(C(C=C1)=CC=C1NC(CCCCC)=O)NC2=CC=C(C=C2)C(NNC(CCCCCCC)=O)=O,0.0
9356,CO-ADD:0160360,13.79,O=C(NC1=C(C)C=CC(NC(C(C2CCCCC2)C(OCC)=O)=O)=C1)C(C3CCCCC3)C(OCC)=O,0.0
9357,CO-ADD:0160560,13.78,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC3=C(C(OCC)=O)C(CCCC4)=C4S3,0.0
9358,CO-ADD:0160494,13.78,O=C(NC1=CC=CC=C1)C2=C(C3=CC=C(OC)C=C3)C4=C(N=C2C)SC(C(OCC)=O)=C4N,0.0
9359,CO-ADD:0159961,13.78,N#CC1=C(N)OC2=C(C=C(/C=N/C3=CC(C(F)(F)F)=CC=C3Cl)C(O)=C2)C1C4=CC=CO4,0.0
9360,CO-ADD:0159977,13.78,O=C(N/C(S/1)=N\N=C/C2=CC(OCO3)=C3C=C2)C1=C/C4=CC=C(O)C=C4,0.0
9361,CO-ADD:0161579,13.78,C(=O)(Nc(ccc(c12)cccc1)c2)c3ccccc3NC(=O)\C=C\c(cc4)ccc4\C=C\C(=O)Nc5ccccc5C(=O)Nc(ccc(c67)cccc6)c7,0.0
9362,CO-ADD:0300829,13.78,N1(CCCc(cc(CC)cc2)c12)Cc3c(cccc3Cl)Cl,0.0
9363,CO-ADD:0300756,13.78,C(C)(C)(C(=O)OC(C1(C)C)c(cccc2[N+](=O)[O-])c2)C1=O,0.0
9364,CO-ADD:0155732,13.78,CC1=NN(C2=CC=CC=C2)C(/N=C/C3=CC=CC=C3O)=C1C4=CC(Br)=CC=C4,0.0
9365,CO-ADD:0155324,13.78,[O-][N+](C1=CC(C(N2)=NC(C3=CC=C(C=C3)[N+]([O-])=O)=C2C4=CC=CC=C4)=CC=C1)=O,0.0
9366,CO-ADD:0155228,13.78,OC1=C(C=C(C)C(C)=C1)/C=N/C2=CC=C(C=C2)N3CCOCC3,0.0
9367,CO-ADD:0158218,13.78,O=C(CSCC1=CC=C(Cl)C=C1)NN=C2CCCC2,0.0
9368,CO-ADD:0160475,13.77,O=C1C(C(C(C)C)C(C(CC2(C)C)=O)C(C2)=O)=C(O)CC(C)(C)C1,0.0
9369,CO-ADD:0160532,13.77,O=C(N/N=C/C1=CC(C=CC=C2)=C2C=C1)/C(NC(C3=CC=CC=C3)=O)=C\C4=CC(OCO5)=C5C=C4,0.0
9370,CO-ADD:0160348,13.77,O=C(O)C1=CC=CC=C1NC(COC(C=C2)=CC=C2Cl)=O,0.0
9371,CO-ADD:0160306,13.77,O=C1NC(C(Br)=CC(C)=C2)=C2/C1=N/NC(COC3=CC=C4C=CC=CC4=C3)=O,0.0
9372,CO-ADD:0160506,13.77,O=C(C1=CC(OC2=CC=C3C(N(N(C4=O)C(C5=CC=CC=C45)=O)C(C3=C2)=O)=O)=CC=C61)N(C6=O)N(C(C7=CC=CC=C87)=O)C8=O,0.0
9373,CO-ADD:0159922,13.77,OC1=C(C=C(C)C=C1)/C=N/C2=CC=CC(C3=NC(C=CC=C4)=C4O3)=C2,0.0
9374,CO-ADD:0158466,13.77,O=C(N/N=C/C1=CC=CC=C1)CSC2=NC3=CC=CC=C3C=C2,0.0
9375,CO-ADD:0229965,13.77,C(=C\c(ccc(c1OC)O)c1)(/C(=O)NC(N2)=S)\C2=O,0.0
9376,CO-ADD:0228198,13.77,S(=O)(=O)(c(cccc1C(=O)Oc(cccc2NC(=O)c3ccc(cc3)Br)c2)c1)N(CC4)CCO4,0.0
9377,CO-ADD:0163625,13.77,N(=C(/CC)\c(cc1)ccc1c2ccccc2)/NC(COc3ccc(cc3Br)OC)=O,0.0
9378,CO-ADD:0163641,13.77,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(ccc(c3OCC)O)c3,0.0
9379,CO-ADD:0163226,13.77,N1(C(=O)c2c(C(c3ccccc3)=N1)cccc2)c4cc(Cl)ccc4[N+](=O)[O-],0.0
9380,CO-ADD:0163578,13.77,N(=C(/C)\c1ccc(cc1)Br)/NC(COc2c(C)cccc2C)=O,0.0
9381,CO-ADD:0163594,13.77,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(I)c1)C(=O)Nc2cccc(Cl)c2C,0.0
9382,CO-ADD:0158128,13.77,N#CC(C=CC=C1)=C1OCC(N/N=C/C2=CC=C(C=C2)OC(C3=CC=C(C=C3)[N+]([O-])=O)=O)=O,0.0
9383,CO-ADD:0160202,13.77,O=C(N/N=C/C1=CC(Br)=C(OC)C=C1)C2C(C3=CC=CC=C3)(C4=CC=CC=C4)C2,0.0
9384,CO-ADD:0158462,13.77,O=C(N/N=C/C(C=CC=C1)=C1I)CSC2=CC=C3C(C=CC=C3)=N2,0.0
9385,CO-ADD:0158322,13.77,[O-][N+](C1=CC(Cl)=CC(Cl)=C1OCC(NC(C=C2)=CC=C2Cl)=O)=O,0.0
9386,CO-ADD:0163591,13.76,C(=O)(N\N=C\c1cccc(OC)c1)C(NCCOC)=O,0.0
9387,CO-ADD:0163280,13.76,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c2ccccc2F,0.0
9388,CO-ADD:0163034,13.76,[nH]1c(cccc2)c2c(CCNCCC(c3ccccc3)c4ccc(cc4)O)c1.Cl,0.0
9389,CO-ADD:0163682,13.76,n1(c2ccccc2)nnnc1N\N=C\c(cc3)ccc3OCc4ccccc4,0.0
9390,CO-ADD:0230850,13.76,n1c(n[nH]c1C(OCC)=O)N[N+](=O)[O-],0.0
9391,CO-ADD:0300586,13.76,C(C(=O)OC1CCCC1)(C2c(cc3)ccc3c4ccccc4)=C(C)NC(CCCC5=O)=C25,0.0
9392,CO-ADD:0158488,13.76,[O-][N+](C1=C(C)C=CC(C2=NC(C=CC=C3)=C3S2)=C1)=O,0.0
9393,CO-ADD:0158369,13.76,O=C(COC1=CC(C)=CC=C1C(C)C)N/N=C(C)/C2=CC=CS2,0.0
9394,CO-ADD:0163064,13.76,N1(CNc2cccc(C)c2)C(=O)C(C3C1=O)CC=CC3C,0.0
9395,CO-ADD:0163104,13.76,c1(C#N)c(SCC(=O)Nc(cc2)ccc2C)nc(cc1C(F)(F)F)c3cccs3,0.0
9396,CO-ADD:0163545,13.76,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(cc2)ccc2C)=O)c3ccco3,0.0
9397,CO-ADD:0222278,13.76,c1(ccccc1Br)C(=O)NCC(=O)N\N=C(/C)\c2cc(O)ccc2O,0.0
9398,CO-ADD:0155976,13.76,OC1=C(C=CC(/N=C/C(C=C2)=CC=C2OCC3=CC=CC=C3)=C1)C4=NC(C=CC=C5)=C5S4,0.0
9399,CO-ADD:0219784,13.76,S(c1ccccc1)(=O)(=O)N(c2ccc(c(C)c2)C)CC(=O)N\N=C\c(ccc(c3OCC)OCCC)c3,0.0
9400,CO-ADD:0160150,13.76,[O-][N+](C1=CC=CC(C(NC2=CC=C(C(C)=C2)[N+]([O-])=O)=O)=C1C(O)=O)=O,0.0
9401,CO-ADD:0220360,13.75,c1(cc(C)cc(I)c1O)\C=N\c(cc2)ccc2OC,0.0
9402,CO-ADD:0220536,13.75,c1(\C=N\NC(CNc2cccc(C)c2)=O)c(OCC)ccc(cccc3)c13,0.0
9403,CO-ADD:0220996,13.75,c(\C=N\NC(COc1ccc(cc1OC)Br)=O)(c(cccc2)c2n3C)c3,0.0
9404,CO-ADD:0161305,13.75,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCCCC(=O)c3ccc(cc3)F)c4ccccc4,0.0
9405,CO-ADD:0161609,13.75,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
9406,CO-ADD:0221954,13.75,C(=O)(C(=O)NCc1ccccc1)Nc2cccc(Cl)c2Cl,0.0
9407,CO-ADD:0219155,13.75,n(c(Oc(cc1)ccc1I)cc(n2)Cl)c2N,0.0
9408,CO-ADD:0219819,13.75,C(CN(C)C)(=O)Nc(cc1)ccc1Br,0.0
9409,CO-ADD:0161341,13.75,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCc3ccccc3)c4cccs4,0.0
9410,CO-ADD:0160375,13.75,O=C(N/N=C/C1=C(O)C=CC2=CC=CC=C12)CCN3N=NC4=C3C=CC=C4,0.0
9411,CO-ADD:0160355,13.75,[O-][N+](C(C=C(OCC)C=C1)=C1NC(CC2CCC2)=O)=O,0.0
9412,CO-ADD:0220919,13.75,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c(cc2)ccn2,0.0
9413,CO-ADD:0222272,13.75,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3ccccc3I,0.0
9414,CO-ADD:0220631,13.75,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(oc(c2Br)C)c2)c1,0.0
9415,CO-ADD:0219083,13.75,N(C(c1ccccc1)C(OCC)=O)C(c2ccccc2)=O,0.0
9416,CO-ADD:0160677,13.75,O=C(N/N=C(CCC)/C(C(O)=C1)=CC=C1OCCCCCCC)C(C2)C2C3=CC=CC=C3,0.0
9417,CO-ADD:0160605,13.75,O=C(NCCCC(N)=O)C1=CC(OC)=C(OC)C(OC)=C1,0.0
9418,CO-ADD:0160245,13.74,O=C1C(C(C2=CC=CC=C2OC)C(C3=O)=C(C4=CC=CC=C34)O5)=C5C6=CC=CC=C16,0.0
9419,CO-ADD:0160253,13.74,N#CCC/C(CC(C)C)=N\NC(C=C1)=C(C=C1[N+]([O-])=O)[N+]([O-])=O,0.0
9420,CO-ADD:0222003,13.74,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cccc2NC(=O)c3ccc(cc3)Br)c2,0.0
9421,CO-ADD:0219776,13.74,c1(\C=N\NC(CSCc(cc2)ccc2Cl)=O)c(cccc1Cl)Cl,0.0
9422,CO-ADD:0160261,13.74,O=C(N/N=C/C1=CC=CC=C1F)CN2N=NC3=C2C=CC=C3,0.0
9423,CO-ADD:0219176,13.74,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc3ccccc3I)Nc4ccccc4I,0.0
9424,CO-ADD:0220460,13.74,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\C=C\c3ccccc3,0.0
9425,CO-ADD:0160606,13.74,O=C1NC(C=C(C(NC2=CC=C(C=C2)C(C)=O)=O)N1)=O,0.0
9426,CO-ADD:0160111,13.74,O=C(C1=C2C=CC=C1)C3=C(C(NC(C=C4)=CC=C4C)=CC=C3NC5=CC=C(C)C=C5)C2=O,0.0
9427,CO-ADD:0155969,13.74,O=C(NC1=CC=C(C=C1)C2=NC(C=CC=C3)=C3S2)C4=C(Cl)C=C(Cl)C=C4,0.0
9428,CO-ADD:0160143,13.73,O=C(COC1=CC=C(Cl)C=C1)NC2=C(Br)C=C(OC)C=C2Br,0.0
9429,CO-ADD:0161454,13.73,c1(c[nH]c2c1ccc(c23)cccc3)C(=O)C(F)(F)F,0.0
9430,CO-ADD:0161078,13.73,C(=O)(N\N=C\c(cc1)ccc1Cl)C(C)Oc(cc2)ccc2c3ccccc3,0.0
9431,CO-ADD:0161534,13.73,c1(cc(Br)ccc1O)\C=N\c(ccc(c2OC)OC)c2,0.0
9432,CO-ADD:0161558,13.73,C(c1ccccc1)(=O)NC(C)C(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
9433,CO-ADD:0161574,13.73,n1c(c(cc2)ccc2NC(=O)c3ccc(cc3NC(=O)\C=C\c(cc4)ccc4[N+](=O)[O-])[N+](=O)[O-])c5c(nc1c(cc6)ccc6NC(=O)c7ccc(cc7NC(=O)\C=C\c(cc8)ccc8[N+](=O)[O-])[N+](=O)[O-])cccc5,0.0
9434,CO-ADD:0220280,13.73,n1c2c(oc1c3ccc(cc3)\N=C\c4cc(C)cc(I)c4O)cccc2,0.0
9435,CO-ADD:0219138,13.73,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc(ccc(c34)cccc3)c4)Nc(ccc(c56)cccc5)c6,0.0
9436,CO-ADD:0219548,13.73,C(=O)(c1ccc(cc1)F)Nc(cccc2C(=O)N\N=C\c3ccccc3OC)c2,0.0
9437,CO-ADD:0161582,13.73,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2C)=O)N3CCCCC3)c1,0.0
9438,CO-ADD:0220606,13.73,C(=C/c1ccccc1O)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc3I)o3,0.0
9439,CO-ADD:0220617,13.73,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C/c3cccs3,0.0
9440,CO-ADD:0220159,13.73,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3ccc(cc3Cl)Cl)=O)o1,0.0
9441,CO-ADD:0219207,13.72,[N+](=O)([O-])c1cc(CC)ccc1OCC(=O)N\N=C\c2cccc(Cl)c2,0.0
9442,CO-ADD:0155521,13.72,[O-][N+](C(C=C1)=CC=C1NC2=NC(N3CCCCCC3)=NC(N/N=C/C4=CC=C(N(C)C)C=C4)=N2)=O,0.0
9443,CO-ADD:0220906,13.72,c1(\C=N\NC(Cc(cc2)ccc2Cl)=O)cc(OC)ccc1OC,0.0
9444,CO-ADD:0221214,13.72,C(c1ccc(cc1)Oc2cccc(N)c2)(c3ccc(cc3)Oc4cccc(N)c4)(C(F)(F)F)C(F)(F)F,0.0
9445,CO-ADD:0155421,13.72,O=C(C1=CC=CC(Br)=C1)NC2=C(C(OCC)=O)C(C3=CC=CC=C3)=CS2,0.0
9446,CO-ADD:0155553,13.72,N#CC(C1C2=CC=CC=C2)(C#N)C(C([N+]([O-])=O)=CC3=C4C=CC=C3)N4C1C(C5=CC=C(OC)C=C5)=O,0.0
9447,CO-ADD:0160663,13.72,O=C(N/N=C/C(C(Cl)=CC=C1)=C1F)C(NCC2=CC=CO2)=O,0.0
9448,CO-ADD:0160279,13.72,ClC1=C(OC)C=CC(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=C(C)C=C4)=C1,0.0
9449,CO-ADD:0160177,13.72,O=C(C1=C2C=CC=C1[N+]([O-])=O)N(CNC(C=C3)=CC=C3OC)C2=O,0.0
9450,CO-ADD:0160289,13.72,[O-][N+](C1=CC=C(C(/C=N/NC(CNC(C=CC=C2)=C2I)=O)=C1)N(C)C)=O,0.0
9451,CO-ADD:0156510,13.72,O=C(C1=CC=C(C)C=C1)NC2=CC=C(C=C2)/C(C)=N/NC(C)=O,0.0
9452,CO-ADD:0156334,13.72,O=C1C(C=CC=C2)=C2N(CC(N/N=C/C3=CC=C(C4=CC=C(C(Cl)=C4)Cl)O3)=O)C5=C1C=CC=C5,0.0
9453,CO-ADD:0154901,13.72,O=C1C2=CN=C(N=C2CCC1)N,0.0
9454,CO-ADD:0154773,13.72,[O-][N+](C1=CC(OC)=CC(/C=N/NC(COC2=CC=CC=C2CC=C)=O)=C1O)=O,0.0
9455,CO-ADD:0220946,13.71,N(\C(=C/c(cccn1)c1)\C(O2)=O)=C2c3cccc(C)c3,0.0
9456,CO-ADD:0220961,13.71,n(Cc1ccccc1)(c2c(c3\C=N\NC(COc4ccccc4OC)=O)cccc2)c3C,0.0
9457,CO-ADD:0221182,13.71,n1(nnnc1C(N2CCCCC2)c3ccccc3Cl)C(C(C)(C)C)C(Oc(cc4)ccc4Cl)n(c5)ncn5,0.0
9458,CO-ADD:0220858,13.71,c1(ccccc1NC(c2ccccc2)=O)C(OCCCCCCCCC)=O,0.0
9459,CO-ADD:0160027,13.71,O=C1NC(C)=C(C(C)=O)C(N1)C2=CC=CC3=C2OCO3,0.0
9460,CO-ADD:0160041,13.71,C1(N2CCCC2)=NC(N/N=C/C3=CC=C(C=C3)/C=N/NC4=NC(N5CCOCC5)=NC(N6CCCC6)=N4)=NC(N7CCOCC7)=N1,0.0
9461,CO-ADD:0218941,13.71,c1(c(C)cc(cc1C)C)NC(=O)C\C(\C)=N\NC(=O)c2cccc(Br)c2,0.0
9462,CO-ADD:0159761,13.71,O=C(O1)C(OC2=CC=CC=C2)=C(Br)C1C(CCCC3)C3=O,0.0
9463,CO-ADD:0156004,13.71,O=C1N(CCC1)C(C=C2)=CC=C2C(OC)=O,0.0
9464,CO-ADD:0160194,13.71,BrC1=C(O)C(/C=N/C2=CC(O)=C(C=C2)C3=NC(C=C4)=C(C=C4C)O3)=CC(Cl)=C1,0.0
9465,CO-ADD:0154872,13.71,N#CC1=C(N)OC(C)=C(C(OC)=O)C1C2=CC=CS2,0.0
9466,CO-ADD:0154968,13.71,N#CC(C(C(F)(F)F)=C1)=C(SCC(C2(CC3C4)CC4C[C@H](C3)C2)=O)N=C1C5=CC=CS5,0.0
9467,CO-ADD:0154787,13.71,O=C(O)C1=CC=CC=C1NC(CCCCCCCCC)=O,0.0
9468,CO-ADD:0159817,13.71,O=S1(/C(C(N(C(C=C2)=CC=C2Cl)C1C(C=C3)=CC=C3F)=O)=C/C(C(OC)=C4)=CC=C4OC)=O,0.0
9469,CO-ADD:0160045,13.71,O=C(N1C(C=C2)=CC=C2C)N(CC3=CC=CC=C3)C(C1=O)=O,0.0
9470,CO-ADD:0160069,13.71,[O-][N+](C1=CC(C(OC/2=O)=NC2=C/C3=CC=C4C=CC=CC4=C3)=CC=C1)=O,0.0
9471,CO-ADD:0159905,13.71,O=C(N/N=C/C1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)/C(NC(C3=CC=CC=C3)=O)=C\C4=CC=C(N(C)C)C=C4,0.0
9472,CO-ADD:0220615,13.7,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNc2ccccc2C)=O)c3ccccc3Cl,0.0
9473,CO-ADD:0160210,13.7,ClC1=CC=C(O)C(/C=N/NC2=NC(N3CCOCC3)=NC(NC4=C(C=CC=C5)C5=CC=C4)=N2)=C1,0.0
9474,CO-ADD:0160618,13.7,O=C(NC(C=C1)=CC=C1C)C2C3CC/C=C\CCC23,0.0
9475,CO-ADD:0155412,13.7,ClC1=CC=C(C=C1)C2=CSC(NC3=C(C)C=CC(C)=C3)=N2,0.0
9476,CO-ADD:0220590,13.7,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2cc(Br)ccc2OC(c3ccccc3)=O,0.0
9477,CO-ADD:0154816,13.7,NC1=C(C(OCC2=CC=CC=C2)=O)SC3=C1C(C)=CC(C)=N3,0.0
9478,CO-ADD:0220719,13.7,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/C)\c(cc3)ccc3C(C)(C)C,0.0
9479,CO-ADD:0222556,13.7,C(=O)(C(NCCCCCCCCCCCC)=O)Nc1cc(C)ccc1C,0.0
9480,CO-ADD:0155452,13.7,COC1=CC=C(C=C1)/C=N/C2=CC=C(C=C2)C(N3)=NC4=C3C=CC(/N=C/C(C=C5)=CC=C5OC)=C4,0.0
9481,CO-ADD:0219264,13.7,C(=O)(c1ccc(cc1)OC)Nc(cccc2C(=O)N\N=C\c3ccc(cc3Cl)Cl)c2,0.0
9482,CO-ADD:0158687,13.7,O=C(C(C=CC=C1)=C1Br)OC2=C(/C=N/NC(CNC(C3=CC=C(Cl)C=C3)=O)=O)C=C(Br)C=C2Br,0.0
9483,CO-ADD:0220101,13.7,C(=O)(c1ccc(cc1)Br)NC(C)c2ccccc2,0.0
9484,CO-ADD:0154772,13.7,[O-][N+](C1=C(N/N=C/C2=CC=C(C)O2)C([N+]([O-])=O)=CC(C(F)(F)F)=C1)=O,0.0
9485,CO-ADD:0154972,13.7,N#CC1=C(NCC)SC(C(C2(C[C@@H]3C4)C[C@@H]4C[C@@H](C3)C2)=O)=C1N,0.0
9486,CO-ADD:0154788,13.69,O=C(C1=CC=CC=C1)NC2=CC(CC3=CC=C(C(NC(C4=CC=CC=C4)=O)=C3)NC5=CC=CC=C5)=CC=C2NC6=CC=CC=C6,0.0
9487,CO-ADD:0219721,13.69,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C\c2ccccc2OCCCC,0.0
9488,CO-ADD:0218942,13.69,C(=O)(C\C(\C)=N\NC(=O)c1cccc(O)c1)Nc2cccc(Cl)c2C,0.0
9489,CO-ADD:0220402,13.69,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c2ccco2,0.0
9490,CO-ADD:0155419,13.69,O=C(NC1=CC=C(OCC)C=C1)CCN2CCN(C3=CC=CC=C3)CC2,0.0
9491,CO-ADD:0155536,13.69,S=C(N(C1=CC=CC=C1)C/2=O)N(C3=CC=C(OC)C=C3)C(C2=C\C4=CNC5=C4C=CC=C5)=O,0.0
9492,CO-ADD:0222018,13.69,C(CNc1ccccc1C)(=O)N\N=C\c(cc2)ccc2F,0.0
9493,CO-ADD:0220833,13.69,c(Nc1ccccc1)(nc(N\N=C\c(cc(OCO2)c2c3)c3Br)nc4Nc(cc5)ccc5OC)n4,0.0
9494,CO-ADD:0222460,13.69,[N+](=O)([O-])c1cccc(\C=N\c2cccc(Cl)c2Cl)c1O,0.0
9495,CO-ADD:0222448,13.69,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)c(cccn2)c2)c3ccccc3Br,0.0
9496,CO-ADD:0220415,13.69,c1(c2ccccc2)[nH]c3c(ccc(c3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n1,0.0
9497,CO-ADD:0222024,13.69,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccccc2C)=O)c3ccccc3Br,0.0
9498,CO-ADD:0222469,13.69,C(=N/O)(/Nc1ccccc1Cl)\C(=N\O)\Nc2ccccc2Cl,0.0
9499,CO-ADD:0220422,13.68,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(cc3)ccc3Br,0.0
9500,CO-ADD:0220385,13.68,C(OCCCCCCCCCCC)(=O)c1ccc(cc1)NC(CCCCCCCCC)=O,0.0
9501,CO-ADD:0221858,13.68,C(/c1c(N2)cccc1)(=N/c3ccccc3F)\C2=O,0.0
9502,CO-ADD:0219596,13.68,C(=O)(N\N=C\c1ccccc1F)C(=O)Nc2ccc(cc2C)Cl,0.0
9503,CO-ADD:0218890,13.68,c1(c2c(cccc2)ccc1OC(=O)c3ccc(cc3)Cl)\C=N\c4ccccc4C,0.0
9504,CO-ADD:0158516,13.68,IC1=CC(Cl)=CC(/C=N/C2=CC=C3C=CC=CC3=C2)=C1O,0.0
9505,CO-ADD:0155392,13.68,O=C(C1=CC=C(Cl)C=C1)ON=C2CCN(C)CC2.Cl,0.0
9506,CO-ADD:0221980,13.68,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/CC)\Nc2cccc(C)c2)[N+](=O)[O-],0.0
9507,CO-ADD:0155449,13.68,[O-][N+](C1=CC=C(C(/C=N/NC(CNC2=C(Br)C=C(C)C=C2)=O)=C1)N3CCCCC3)=O,0.0
9508,CO-ADD:0219328,13.68,c1(N(c2ccccc2)c3ccccc3)nc(N\N=C\c4ccc(cc4Cl)Cl)nc(N\N=C\c5ccc(cc5Cl)Cl)n1,0.0
9509,CO-ADD:0221865,13.68,C(=O)(Cc1cccc(cccc2)c12)Nc3cccc(N(C)C)c3,0.0
9510,CO-ADD:0221833,13.67,C(C#N)(C(C)=CC(N1)=O)=C1SCC(O)=O,0.0
9511,CO-ADD:0219276,13.67,C(=O)(c1ccc(cc1)F)Nc(cccc2C(=O)N\N=C\c(cc3)ccc3OCC)c2,0.0
9512,CO-ADD:0154926,13.67,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C3=C(OC)C=CC(OC)=C3,0.0
9513,CO-ADD:0221205,13.67,n1c2c(cccc2)ccc1SCC(=O)N\N=C\c3cccc(F)c3,0.0
9514,CO-ADD:0154942,13.67,N#CC1=C(N)NC(C)=C(C(OCC)=O)C1C2=CC=NC=C2,0.0
9515,CO-ADD:0220853,13.67,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)OC(CC2)CCC2C(C)(C)C,0.0
9516,CO-ADD:0160098,13.67,O=C(C1C2C=CC(C2)C31)N(C3=O)C4=CC=CC(OC(C(F)=C5F)=C(F)C(F)=C5OC6=CC=CC(N(C7=O)C(C8C9C=CC(C9)C78)=O)=C6)=C4,0.0
9517,CO-ADD:0161310,13.66,C1(C2c3ccc(cc3)F)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
9518,CO-ADD:0158564,13.66,[O-][N+](C(C=C1)=CC=C1NC2=NC(Cl)=NC(N(CCCC)CCCC)=N2)=O,0.0
9519,CO-ADD:0158680,13.66,[O-][N+](C1=CC=C(Cl)C(C(OC/2=O)=NC2=C/C(C=C3)=CC=C3Br)=C1)=O,0.0
9520,CO-ADD:0154977,13.66,N#CC(C(C(F)(F)F)=C1)=C(SCC(C2=CC=CC=C2)=O)N=C1C3=CC=CS3,0.0
9521,CO-ADD:0155534,13.66,OC(C(OC)=CC(Br)=C1)=C1/C=N/C2=CC(C(O3)=NC4=C3C=C(C)C(C)=C4)=CC=C2,0.0
9522,CO-ADD:0155438,13.66,ClC1=CC=C(C=C1)NC2=NC(C3=CC=CC4=C3C=CC=C4)=CS2,0.0
9523,CO-ADD:0220007,13.66,C(Cl)(Cl)(Cl)C(c1ccc(cc1)OCC)c2ccc(cc2)OCC,0.0
9524,CO-ADD:0221828,13.66,S(CCCCCCCCC)(=O)(=O)N\N=C\c(cc1)ccc1F,0.0
9525,CO-ADD:0156206,13.66,[O-][N+](C1=CC=CC(/C=N/C2=CC=C(C(C=C3)=C2)N=C3C)=C1O)=O,0.0
9526,CO-ADD:0154850,13.66,O=C(NCC1=CC=CC2=C1C=CC=C2)C3(C[C@@H]4C5)C[C@@H]5C[C@@H](C4)C3,0.0
9527,CO-ADD:0161455,13.66,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc2sccn2)c1,0.0
9528,CO-ADD:0219588,13.66,N(C(CCC(=O)N\N=C\c1ccccc1F)=O)c2ccc(cc2C)I,0.0
9529,CO-ADD:0219538,13.66,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2cccc(Br)c2)c3cccc(cccc4)c34,0.0
9530,CO-ADD:0220933,13.66,N1\C(=N/N=C/c2ccccc2Cl)\S\C(=C\c3ccccc3F)\C1=O,0.0
9531,CO-ADD:0161495,13.66,s1c(C[N+](C)(C)C)ccc1SCC.[I-],0.0
9532,CO-ADD:0220073,13.66,C(/c1c(N2)cccc1)(=N\NS(=O)(=O)c(cc3)ccc3[N+](=O)[O-])\C2=O,0.0
9533,CO-ADD:0155454,13.66,O=C(N/N=C/C1=CC=C(C(OCC)=C1)O)C2C(C3=CC=CC=C3)(C4=CC=CC=C4)C2,0.0
9534,CO-ADD:0155495,13.66,O=C(N/C(S/1)=N/N=C/C(C(OC)=C2)=CC=C2OC)C1=C/C(C(Cl)=C3)=CC=C3Cl,0.0
9535,CO-ADD:0155490,13.65,[O-][N+](C1=CC(C)=CC(/C=N/C2=CC(C3=NC(C=C4Cl)=C(C=C4)O3)=CC=C2)=C1O)=O,0.0
9536,CO-ADD:0158694,13.65,O=C(N/N=C/C1=CC=C(C=C1)OC(C2=CC=CC(F)=C2)=O)/C(NC(C3=CC=CC=C3)=O)=C\C4=CC=C(C=C4)N(C)C,0.0
9537,CO-ADD:0222031,13.65,C1(c(cc(cc2C3=N\C(\C(=O)O3)=C\c(cc4)ccc4OCCCC)C5=N\C(\C(=O)O5)=C/c(cc6)ccc6OCCCC)c2)=N\C(\C(=O)O1)=C\c(cc7)ccc7OCCCC,0.0
9538,CO-ADD:0219634,13.65,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc2cccc(OC)c2,0.0
9539,CO-ADD:0219537,13.65,c1(C)c(cccc1\N=C\C=C(/O)\c2ccc(cc2)C)Cl,0.0
9540,CO-ADD:0218958,13.65,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c1Cl)Cl)c1)C(=O)Nc2cccc(C)c2,0.0
9541,CO-ADD:0221950,13.65,C(=O)(NCC1CCCO1)C(NCCc2ccccc2)=O,0.0
9542,CO-ADD:0219598,13.65,C(c1ccccc1)(=O)N\N=C\C=C(/O)\c2cccc(C)c2,0.0
9543,CO-ADD:0220832,13.65,c(Nc1ccccc1)(nc(N\N=C\c2cccc(I)c2)nc3Nc(cc4)ccc4OC)n3,0.0
9544,CO-ADD:0160276,13.65,O=C(NCC(N/N=C/C1=CC=C(C)O1)=O)C2=CC=CC=C2Br,0.0
9545,CO-ADD:0160141,13.65,O=S(NC1=NC=C(Cl)C=C1)(C2=CC=C(CC)C=C2)=O,0.0
9546,CO-ADD:0218936,13.65,N(c1ccccc1Br)C(CCC(=O)N\N=C\c2ccccc2)=O,0.0
9547,CO-ADD:0161077,13.65,C(OCC)(CNc(cc1)ccc1I)=O,0.0
9548,CO-ADD:0161106,13.65,n1c(c2ccc(c(OC)c2)OC)csc1N\N=C(\C)/c3ccc(cc3)OC.Br,0.0
9549,CO-ADD:0221988,13.65,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c1,0.0
9550,CO-ADD:0220784,13.65,C(c1ccccc1)(=O)Oc2cc(ccc2OC(c3ccccc3)=O)\C=N\NC(CNc4cccc(C)c4)=O,0.0
9551,CO-ADD:0220651,13.65,c1(\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)cc(Br)cc(C)c1O,0.0
9552,CO-ADD:0219980,13.65,n1(c2c(nn1)cccc2)C(=O)c(cccc3[N+](=O)[O-])c3,0.0
9553,CO-ADD:0161625,13.65,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3)c(cc4OC)cc(c4OC)OC,0.0
9554,CO-ADD:0219117,13.64,C1(\N=C\c2ccccc2O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
9555,CO-ADD:0161461,13.64,N(Cc1ccccc1)(C2C3N(Cc4ccccc4)C(N(Cc5ccccc5)C6N2Cc7ccccc7)C(N3Cc8ccccc8)N9Cc%10ccccc%10)C69,0.0
9556,CO-ADD:0161109,13.64,C(CNc(cc1)ccc1I)(=O)N\N=C\c(cc2)ccc2OC,0.0
9557,CO-ADD:0219434,13.64,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)C(=O)NCc(cc2)ccc2Cl,0.0
9558,CO-ADD:0155960,13.64,O=C(NC1=CC(N=C(C2=CC=CC(Cl)=C2)O3)=C3C=C1)C4=C(Cl)C=C(Cl)C=C4,0.0
9559,CO-ADD:0220976,13.64,C(COc1ccccc1OC)(=O)N\N=C\c2ccccc2OCC(O)=O,0.0
9560,CO-ADD:0160363,13.64,BrC1=CC=CC(NC2=NC(N3CCOCC3)=NC(N/N=C/C(C=C4)=CC=C4/C=N/NC5=NC(N6CCOCC6)=NC(NC7=CC(Br)=CC=C7)=N5)=N2)=C1,0.0
9561,CO-ADD:0220188,13.64,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\C=C\c2ccccc2)c1,0.0
9562,CO-ADD:0222396,13.64,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\NC(=O)C(Cc3ccccc3)C(=O)N\N=C\c(ccc(c4[N+](=O)[O-])OC(=O)c5cccc(C)c5)c4,0.0
9563,CO-ADD:0219550,13.64,C(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\NC(=O)c3cccc(Br)c3,0.0
9564,CO-ADD:0222719,13.64,c1(SCC(=O)NCc2ccccc2)nc(C)cc(C)n1,0.0
9565,CO-ADD:0222398,13.64,c1(cc(Br)cc(\C=N\c(ccc(c23)[nH]c(c4ccc(cc4)F)n2)c3)c1O)[N+](=O)[O-],0.0
9566,CO-ADD:0160678,13.64,O=C(N/N=C/C1=CC=C(Cl)C=C1)C(C)OC2=CC=C(Br)C=C2,0.0
9567,CO-ADD:0222416,13.64,c(Nc1ccccc1)(nc(N\N=C\c2ccccc2[N+](=O)[O-])nc3Nc4ccccc4)n3,0.0
9568,CO-ADD:0222358,13.64,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c(ccc(c2OC)OC)c2,0.0
9569,CO-ADD:0161114,13.64,s1c(ccc1C(=O)NCc2ccccc2)C(=O)NCc3ccccc3,0.0
9570,CO-ADD:0218931,13.64,N(=C(\CCC)/c1ccccc1)/NC(=O)c2cccc(Br)c2,0.0
9571,CO-ADD:0161557,13.64,c(c(F)c1F)(c(F)c(c1C(=O)Nc2cccc(Cl)c2Cl)F)C(=O)Nc3cccc(Cl)c3Cl,0.0
9572,CO-ADD:0218892,13.64,c1(\C=N\NC(=O)c2cccc(Br)c2)c3c(cccc3)cc(cccc4)c14,0.0
9573,CO-ADD:0220876,13.64,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(ccc(c3O)O)c3,0.0
9574,CO-ADD:0222760,13.63,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccco2)=O)Br)OC(=O)c3ccco3,0.0
9575,CO-ADD:0222736,13.63,c1(ccc(C(=O)Oc2cccc(c2)\C=N\NC(COc3ccccc3C#N)=O)o1)[N+](=O)[O-],0.0
9576,CO-ADD:0222715,13.63,c1([Ge](CC)(CC)CC)c(CNCc2ccccc2)[nH]nn1,0.0
9577,CO-ADD:0222707,13.63,c1(cc(ccc1Cl)SC)C(=O)Nc2ccc(cn2)Cl,0.0
9578,CO-ADD:0222162,13.63,n1c(ccc(c2)\N=C\c3cc(Cl)ccc3O)c2oc1c(cc4)ccc4C(C)(C)C,0.0
9579,CO-ADD:0222221,13.63,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
9580,CO-ADD:0160555,13.63,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1OC(C=C2)=CC=C2/C=N/C3=CC=C4CCC5=CC=CC3=C54)=O,0.0
9581,CO-ADD:0159947,13.63,OC1=C(C2=CC=CC=C2C=C1)/C=N/NC3=NC(NC4=CC=CC=C4)=NC(N(CC)CC)=N3,0.0
9582,CO-ADD:0219780,13.63,[N+](=O)([O-])c1cccc(c1)\N=C\c(cc2)ccc2OCc(cc3)ccc3F,0.0
9583,CO-ADD:0160503,13.63,O=C(C1=C2C=CC(C(NC3=CC=C(C(C)=C3)C)=O)=C1)N(C(C=C4)=CC=C4OC5=CC=C(C=C5)C(NC6=CC(C)=C(C)C=C6)=O)C2=O,0.0
9584,CO-ADD:0226106,13.63,S(=O)(=O)(N(c1ccc(cc1)F)Cc(cc2F)cc(c2)F)c3cccn(c(nn4)CC)c34,0.0
9585,CO-ADD:0226043,13.63,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)NCc(cc4)ccc4C(F)(F)F)=O,0.0
9586,CO-ADD:0226511,13.63,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCc(cccc4C(F)(F)F)c4,0.0
9587,CO-ADD:0226519,13.63,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)c4c(C)cc(c(C)c4)C,0.0
9588,CO-ADD:0226102,13.63,S(=O)(=O)(N(c1ccc(cc1)F)Cc(ccc2C(OC)=O)o2)c3cccn(c(nn4)C)c34,0.0
9589,CO-ADD:0226041,13.62,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)NCc(cc4)ccc4Cl)=O,0.0
9590,CO-ADD:0226881,13.62,c12n(c3c(cccc3)nc1SCC(=O)N(CC4)CCN4c5ccc(cc5)F)c(nn2)C,0.0
9591,CO-ADD:0225539,13.62,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc(cc4)ccc4C(OC)=O)c2,0.0
9592,CO-ADD:0226088,13.62,S(=O)(=O)(N(Cc1cccc(OC)c1)c2cccc(C)c2)c3cccn(c(nn4)CC)c34,0.0
9593,CO-ADD:0226016,13.62,C1(=N2)N(C=CN=C1N3CCCC(C)C3)C(N2CC(=O)Nc4ccc(cc4F)F)=O,0.0
9594,CO-ADD:0226545,13.62,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCc4ccccc4F,0.0
9595,CO-ADD:0226497,13.62,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCC(=O)c4ccc(cc4)OC,0.0
9596,CO-ADD:0226833,13.62,c12n(cnn1)c3c(cccc3)nc2SCC(=O)N(CC4)CCN4c5ccc(cc5)F,0.0
9597,CO-ADD:0226841,13.62,C1(=N2)N(c3c(cccc3)N=C1Oc4ccccc4)C(N2CC(=O)Nc(ccc(c56)OCO5)c6)=O,0.0
9598,CO-ADD:0225985,13.62,n12c(ccc(c3ccc(cc3)C)n1)nnc2CCC(=O)NCc4cccc(OC)c4,0.0
9599,CO-ADD:0226594,13.62,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4OCC,0.0
9600,CO-ADD:0226842,13.62,C1(=N2)N(c3c(cccc3)N=C1Oc4ccccc4)C(N2CC(=O)Nc5ccsc5C(OC)=O)=O,0.0
9601,CO-ADD:0225978,13.62,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(Cc(onc4c5cccc(OC)c5OC)n4)C2=O,0.0
9602,CO-ADD:0226403,13.62,N(C=Nc(c12)ccc(F)c1)(C3=O)C2=NN3CC(=O)Nc(ccc(c45)OCO4)c5,0.0
9603,CO-ADD:0226555,13.62,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)SCC(=O)c4ccccc4Cl,0.0
9604,CO-ADD:0225443,13.62,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(ccc(c56)OCO5)c6)=O,0.0
9605,CO-ADD:0225955,13.62,N12C(C=CC(c3ccc(cc3)C)=N1)=NN(Cc4cccc(Br)c4)C2=O,0.0
9606,CO-ADD:0226524,13.61,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCc4ccccc4F,0.0
9607,CO-ADD:0226020,13.61,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc4ccc(cc4OC)OC)=O,0.0
9608,CO-ADD:0225636,13.61,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4ccccc4Br)=O,0.0
9609,CO-ADD:0226564,13.61,c12n(C=CN(c3cccc(F)c3)C1=O)c(nn2)SCC(=O)Nc4ccc(cc4F)Br,0.0
9610,CO-ADD:0226836,13.61,C1(=N2)N(c3c(cccc3)N=C1Oc(cc4)ccc4C)C(N2CC(=O)Nc5ccsc5C(OC)=O)=O,0.0
9611,CO-ADD:0227002,13.61,n12c(ccc(N(CCCC)CC)n1)nnc2CCc3onc(c4ccc(cc4)OCc5ccccc5)n3,0.0
9612,CO-ADD:0225522,13.61,c12n(ccn(c(nn3)CCC(=O)N(CC4)CCN4c5ccccn5)c13)nc(c6ccc(cc6)Cl)c2,0.0
9613,CO-ADD:0226844,13.61,C1(=N2)N(c3c(cccc3)N=C1Oc4cccc(C)c4C)C(N2CC(=O)Nc(ccc(c56)OCCO5)c6)=O,0.0
9614,CO-ADD:0225943,13.61,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)NCc(cc4)ccc4Cl)C2=O,0.0
9615,CO-ADD:0218340,13.61,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(CCCCCCC)=O,0.0
9616,CO-ADD:0226888,13.61,c12n(c3c(cccc3)nc1SCC(=O)Nc(cc4)ccc4Br)c(nn2)CC,0.0
9617,CO-ADD:0226696,13.61,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc4ccccc4F,0.0
9618,CO-ADD:0225683,13.61,C1(=N2)N(C=CN=C1Oc3cccc(C)c3C)C(N2CC(=O)Nc4ccc(cc4Br)C)=O,0.0
9619,CO-ADD:0226879,13.6,c12n(c3c(cccc3)nc1SCC(=O)Nc4c(C)ccc(Cl)c4)c(nn2)C,0.0
9620,CO-ADD:0218331,13.6,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c2ccccc2O,0.0
9621,CO-ADD:0218339,13.6,N(=C\c(cc1)ccc1Br)/NC(CCC(=O)N\N=C\c(cc2)ccc2Br)=O,0.0
9622,CO-ADD:0218347,13.6,C(=O)(c(cc1)ccc1C(=O)Nc(cc2)ccc2C)Nc(cc3)ccc3C,0.0
9623,CO-ADD:0226694,13.6,N1(c2c(ccc(c2)C(=O)NC3CCCCC3)C(N4CCC(C)C)=O)C4=NN(CC#N)C1=O,0.0
9624,CO-ADD:0225343,13.6,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc5cccc(C)c5C,0.0
9625,CO-ADD:0225463,13.6,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc5ccccc5OC)=O,0.0
9626,CO-ADD:0218652,13.6,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\C=C\C)c1,0.0
9627,CO-ADD:0218668,13.6,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c3ccccc3Cl)c1,0.0
9628,CO-ADD:0218200,13.6,[N+](=O)([O-])c1ccc(cc1)\C=N\c(cc2)ccc2Oc(cc3)ccc3\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
9629,CO-ADD:0218259,13.6,C(OC)(=O)NC(C(C)C)C(OC)=O,0.0
9630,CO-ADD:0217899,13.59,C(O)(c1ccccc1)(c2ccccc2)C(=O)OCC(C)N(CC)CC.Cl,0.0
9631,CO-ADD:0218483,13.59,n1(c(C)cc(C)n1)C(=O)c(cc2)ccc2[N+](=O)[O-],0.0
9632,CO-ADD:0225653,13.59,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc(ccc(c45)OCO4)c5)=O,0.0
9633,CO-ADD:0225587,13.59,c12n(ccn(c(nn3)CCC(=O)N(CC4)CCN4c5c(C)ccc(Cl)c5)c13)nc(c6ccccc6)c2,0.0
9634,CO-ADD:0225735,13.59,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4cccc(SC)c4)=O,0.0
9635,CO-ADD:0218391,13.59,c12c(non1)N\C(=N\O)\C(=N/O)\N2,0.0
9636,CO-ADD:0218418,13.59,C(=C\c(cc1)ccc1N(CC)CC)(/C(=O)c2c3cccc2)\C3=O,0.0
9637,CO-ADD:0218723,13.58,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(Cc(cc2)ccc2O)C(=O)N\N=C\c(cc3)ccc3OCC=C)c1,0.0
9638,CO-ADD:0218428,13.58,c1(c(cccc1Cl)Cl)\C=N\c(cc2)ccc2c(cc3)ccc3\N=C\c4c(cccc4Cl)Cl,0.0
9639,CO-ADD:0217860,13.58,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(cc2)ccc2[N+](=O)[O-])N(CC3)CCN3C)c1,0.0
9640,CO-ADD:0226657,13.58,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)NCc(cc4)ccc4Cl,0.0
9641,CO-ADD:0226437,13.58,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCC(=O)Nc(ccc(c45)OCCO4)c5,0.0
9642,CO-ADD:0218697,13.58,C(=C/c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3c4c(cccc4)cc(cccc5)c35,0.0
9643,CO-ADD:0218559,13.58,C(=O)(Nc(ccc(c1Cl)Cl)c1)Nc2ccc(cc2OC)Cc(cc3)cc(c3NC(=O)Nc(ccc(c4Cl)Cl)c4)OC,0.0
9644,CO-ADD:0218663,13.58,C(=O)(N\N=C\c1ccccc1)C(=O)Nc2ccccc2C,0.0
9645,CO-ADD:0217884,13.58,N(c1ccccn1)C(COc(cc2)ccc2C=O)=O,0.0
9646,CO-ADD:0217900,13.58,[N+](=O)([O-])c(cccc1C(=O)Nc(cc2)ccc2C(=O)Nc(cc3)ccc3C(OC)=O)c1,0.0
9647,CO-ADD:0218461,13.58,c1(OC)c(OC)cc(cc1OC)\C=N/NC(c(cc2)ccn2)=O,0.0
9648,CO-ADD:0218477,13.58,N(=C\c1ccccc1Cl)/NC(CCCc2ccccc2)=O,0.0
9649,CO-ADD:0217925,13.58,C1(Nc2ccccc2)=C(C#N)C(N3C(C=CC=C3)=N1)=O,0.0
9650,CO-ADD:0225473,13.58,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc5ccccc5C(OC)=O)=O,0.0
9651,CO-ADD:0226779,13.58,c1(C2=O)n(c(nn1)CCC)c3c(cccc3)N2CC(=O)Nc4ccc(cc4F)Br,0.0
9652,CO-ADD:0218087,13.57,n1(CC)c2c(c(cc(cc3)NC(=O)C\C(\C)=N\NC(=O)c4ccc(c(OC)c4)OC)c13)cccc2,0.0
9653,CO-ADD:0218045,13.57,c1(ccc(C)o1)C(c(cc2)ccc2[N+](=O)[O-])c3ccc(C)o3,0.0
9654,CO-ADD:0218629,13.57,c1(SCc2ccccc2)n(CCO)c3c(cccc3)n1,0.0
9655,CO-ADD:0218693,13.57,C(=O)(Nc(cc1)ccc1F)C\C(\C)=N\NC(COc(cc2)ccc2Br)=O,0.0
9656,CO-ADD:0218558,13.57,N1(C)C(=O)c(cc2)c(c3C1=O)c(c2c4c(S5)cccc4)c5cc3,0.0
9657,CO-ADD:0218590,13.57,N(C(CCCC(OCC#C)=O)=O)c1ccccc1C,0.0
9658,CO-ADD:0225524,13.57,c12n(ccn(c(nn3)CCC(=O)N4CCC(CC4)Cc5ccccc5)c13)nc(c6ccc(c(C)c6)C)c2,0.0
9659,CO-ADD:0225644,13.57,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc(ccc(c4Cl)OC)c4)=O,0.0
9660,CO-ADD:0225308,13.57,N(C=Nc1c2c3c(s1)CCCCC3)(C4=O)C2=NN4CC(=O)Nc5c(C)ccc(Cl)c5,0.0
9661,CO-ADD:0225316,13.57,c12n(c3c(cccc3)nc1N4CCCCC4)c(nn2)CCC(=O)NCc(ccc(c5OC)OC)c5,0.0
9662,CO-ADD:0218139,13.57,c1(c(OC)ccc(Cl)c1)NC(=O)CN2CCCC2.Cl,0.0
9663,CO-ADD:0218734,13.57,C(=O)(C\C(\C)=N/NC(=O)c1cccc(I)c1)Nc2ccccc2CC,0.0
9664,CO-ADD:0218766,13.57,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c2cccc(OC)c2,0.0
9665,CO-ADD:0218416,13.57,C(C)(CNc1c(cc(cc1[N+](=O)[O-])F)[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.0
9666,CO-ADD:0226697,13.57,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc4cccc(F)c4,0.0
9667,CO-ADD:0225458,13.57,c12n(ccn(c(nn3)CCC(=O)N(CC4)CCN4c5ccccc5F)c13)nc(c6ccc(cc6)OC)c2,0.0
9668,CO-ADD:0226887,13.57,c12n(c3c(cccc3)nc1SCC(=O)Nc4cccc(Br)c4)c(nn2)CC,0.0
9669,CO-ADD:0226454,13.57,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCc4ccccc4C,0.0
9670,CO-ADD:0225734,13.57,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc(cc4)ccc4OCC)=O,0.0
9671,CO-ADD:0218342,13.57,N(=C(\C)/c1ccc(cc1)CC)/NC(=O)c2cccc(Cl)c2,0.0
9672,CO-ADD:0218571,13.57,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(/CCC2)\C2,0.0
9673,CO-ADD:0218353,13.56,C(=O)(N\N=C\c1ccco1)c2ccc(cc2)O,0.0
9674,CO-ADD:0218281,13.56,c(cc(I)cc1I)(\C=N\c(cc2)ccc2C(OCC)=O)c1O,0.0
9675,CO-ADD:0218385,13.56,n1(nc(n2)c3ccc(cc3)Br)c2sc(nc(cccc4)c4n5)c15,0.0
9676,CO-ADD:0225535,13.56,n(c1c(cccc1)nc2SCc3c(C)oc(c4ccc(cc4)C)n3)(c(C(C)C)nn5)c25,0.0
9677,CO-ADD:0225695,13.56,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)Nc4ccccc4C(OC)=O)=O,0.0
9678,CO-ADD:0226775,13.56,c1(C2=O)n(c(nn1)CCC)c3c(cccc3)N2CC(=O)Nc(cccc4C(C)=O)c4,0.0
9679,CO-ADD:0226748,13.56,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(Cc(cc5)ccc5Br)C1=O,0.0
9680,CO-ADD:0226441,13.56,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4ccc(cc4)Br,0.0
9681,CO-ADD:0226977,13.56,N(C1=O)(c(ccs2)c2C(N3CCCC)=O)C3=NN1CC(=O)N(CCCC4C(OCC)=O)C4,0.0
9682,CO-ADD:0218310,13.56,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c(cc2)ccc2NC(c3ccccc3)=O,0.0
9683,CO-ADD:0218395,13.56,c12c(non1)ncc(c3ccccc3)n2,0.0
9684,CO-ADD:0218261,13.56,N(=C\c1ccccc1)/C(c2ccccc2)\N=C\c3ccccc3,0.0
9685,CO-ADD:0226764,13.56,c12n(c3c(cccc3)NC1=S)c(nn2)C,0.0
9686,CO-ADD:0225557,13.56,N12C(C=CC(C(=O)Nc(cc3)ccc3OC)=C1)=NN(CC(=O)Nc4cccc(OC)c4)C2=O,0.0
9687,CO-ADD:0227020,13.56,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)N(CC5)CCN5c6ccccc6)=O,0.0
9688,CO-ADD:0226476,13.56,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4Cl,0.0
9689,CO-ADD:0226492,13.56,c1(nnc2SC(CC)C(=O)Nc3cc(OC)cc(OC)c3)n2C=CN(c4cccc(OC)c4)C1=O,0.0
9690,CO-ADD:0225323,13.56,c12n(c3c(cccc3)nc1N4CCCCC4)c(nn2)CCC(=O)NCc(cc5)ccc5Br,0.0
9691,CO-ADD:0220014,13.56,N(=C(/C)\c1ccc(cc1)Br)/NC(CCCCCCCC(=O)N\N=C(/C)\c2ccc(cc2)Br)=O,0.0
9692,CO-ADD:0220185,13.56,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c2cccs2)c1,0.0
9693,CO-ADD:0220015,13.55,C1(NC(=S)Nc2ccccc2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
9694,CO-ADD:0226882,13.55,c12n(c3c(cccc3)nc1SCC(=O)N(CC4)CCN4c5ccccc5F)c(nn2)C,0.0
9695,CO-ADD:0226883,13.55,c12n(c3c(cccc3)nc1SCC(=O)Nc4ccsc4C(OC)=O)c(nn2)C,0.0
9696,CO-ADD:0219147,13.55,[N+](=O)([O-])c1cccc(C(CCNc(cc2)ccc2Cc(cc3)ccn3)=O)c1,0.0
9697,CO-ADD:0221146,13.55,c1(SCC(NCCCC)=O)sc(c(ccc2[N+](=O)[O-])n1)c2,0.0
9698,CO-ADD:0226031,13.55,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc4c(OC)cc(c(Cl)c4)OC)=O,0.0
9699,CO-ADD:0221888,13.55,c1(cc(F)c(cc1Cl)F)C(=O)Nc2cccc(N(C)C)c2,0.0
9700,CO-ADD:0226846,13.54,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4ccccc4)c(nn1)C(C)C,0.0
9701,CO-ADD:0226862,13.54,N1(c(ccs2)c2C(N3CCC)=O)C3=NN(CC(=O)c4cc(C)ccc4C)C1=O,0.0
9702,CO-ADD:0226055,13.54,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4C)C(N2CC(=O)NCc(cc5)ccc5C)=O,0.0
9703,CO-ADD:0226063,13.54,C1(=N2)N(C=CN=C1N3CC(C)CC(C)C3)C(N2CC(=O)NCc(cc4)ccc4OC)=O,0.0
9704,CO-ADD:0226071,13.54,C1(=N2)N(C=CN=C1N(C)CCC)C(N2CC(=O)Nc(cc3)ccc3Br)=O,0.0
9705,CO-ADD:0226034,13.54,C1(=N2)N(C=CN=C1N3CCCCCC3)C(N2CC(=O)NCc4ccccc4OC)=O,0.0
9706,CO-ADD:0226042,13.54,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)NCc(cccc4C(F)(F)F)c4)=O,0.0
9707,CO-ADD:0226082,13.54,S(=O)(=O)(N(Cc1ccccc1)c2cccc(C)c2)c3cccn(c(nn4)C)c34,0.0
9708,CO-ADD:0260044,13.54,N1(c2c(C)ccc(Cl)c2)C(=O)C(C(C1=O)C(C)(c3c4cccc3)c5c6cccc5)C46C,0.0
9709,CO-ADD:0230597,13.54,C(=O)(N\N=C\c1cc(OC)ccc1OC)c2cccc(Br)c2,0.0
9710,CO-ADD:0260012,13.54,N1(c(cc2)ccc2C(OCCC)=O)C(=O)C(C(C34)C1=O)C(c(c35)cccc5)c6c4cccc6,0.0
9711,CO-ADD:0228830,13.54,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/NC,0.0
9712,CO-ADD:0284175,13.54,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(=O)c3ccc(c(Cl)c3)Cl)F,0.0
9713,CO-ADD:0258832,13.53,c1(\C(\C)=N\NC(N)=S)[nH]c(c2n1)cccc2,0.0
9714,CO-ADD:0230502,13.53,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)C(=O)NCC(C)C,0.0
9715,CO-ADD:0258713,13.53,N1C(=O)\C(\SC1=S)=C/c(ccc(c2OC)OCc3ccccc3F)c2,0.0
9716,CO-ADD:0230803,13.53,c(OC)(c(OC)c1)c(OC)cc1C(NCCOc2cc(C)ccc2C(C)C)=O,0.0
9717,CO-ADD:0258945,13.53,C(/c1c(N2)cccc1)(=N/NC(=O)c3ccn(C)n3)\C2=O,0.0
9718,CO-ADD:0258809,13.53,N(c1ccc(cc1)CC)(C(c2ccc(cc2)Br)C=C3Nc(cc4)ccc4CC)C3=O,0.0
9719,CO-ADD:0277946,13.53,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc4OCC)cc(c4O)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
9720,CO-ADD:0277828,13.53,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc(cc4)ccc4F)c3)\N2C5CCCC5,0.0
9721,CO-ADD:0277556,13.53,C(=O)(Nc(cc1)ccc1C(C)C)C(NCCCCCCC)=O,0.0
9722,CO-ADD:0259581,13.53,N1(c2cccc(c2)C(O)=O)C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(/C)\C,0.0
9723,CO-ADD:0259278,13.53,n1(nnc(C(=O)N\N=C\c(ccc(c2OC)OC)c2)c1CSc3oc(c4n3)cccc4)c5nonc5N,0.0
9724,CO-ADD:0228815,13.53,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C/Nc(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3,0.0
9725,CO-ADD:0223105,13.53,[N+](=O)([O-])c(cc1)cc(c1c2ccc(\C=N/Nc3cccc(Cl)c3)o2)Cl,0.0
9726,CO-ADD:0260158,13.53,n1(c2c(nc1SC)cccc2)CC(=O)N(CC3)CCO3,0.0
9727,CO-ADD:0232339,13.52,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3ccc(cc3Br)C,0.0
9728,CO-ADD:0260182,13.52,c(CC(NC(=O)OC(C)(C)C)C(=O)Nc1c(C)cccc1C)(c2c([nH]3)cccc2)c3,0.0
9729,CO-ADD:0259456,13.52,n1(C(CCC(OC(C)C)=O)=O)c2c(nn1)cccc2,0.0
9730,CO-ADD:0259496,13.52,N1(c2cccc(OC)c2)C(=O)c(c3C1=O)ccc(c3)C(O4)=Nc(c5C4=O)ccc(Br)c5,0.0
9731,CO-ADD:0228708,13.52,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
9732,CO-ADD:0230005,13.52,c(cnc(c12)ccc(C(C)C)c1)(C(OCC)=O)c2O,0.0
9733,CO-ADD:0259457,13.52,C1(O)(CCNC(CCCC2)C12)c3ccccc3,0.0
9734,CO-ADD:0260130,13.52,C(C1CCCCC1)(=O)Nc2ccccc2Sc3ccccc3,0.0
9735,CO-ADD:0260154,13.52,n1(c2ccc(cc2)I)c(C)c(cc1C)\C=N\NC(=O)c3cccc(O)c3,0.0
9736,CO-ADD:0228770,13.52,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)ccc2C(=O)OCC(C)C,0.0
9737,CO-ADD:0259523,13.52,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3CCNC(=O)C(=O)Nc(cc4)ccc4OCC,0.0
9738,CO-ADD:0223229,13.52,c1(cc(\C=N\NC(CNc2ccccc2C)=O)cc(OC)c1O)[N+](=O)[O-],0.0
9739,CO-ADD:0230871,13.52,C(=C/c(cc1)ccc1OCCCCCC)(/c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c23)\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
9740,CO-ADD:0260139,13.52,c1(SC)nc(c2n1CC(=O)Nc(cc3)ccc3CC)cccc2,0.0
9741,CO-ADD:0230421,13.51,C(F)(F)(F)c1cccc(c1)\N=C\c(c2c([nH]3)cccc2)c3,0.0
9742,CO-ADD:0259627,13.51,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
9743,CO-ADD:0228059,13.51,c1(oc(c2n1)cccc2)c3cc(ccc3O)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
9744,CO-ADD:0230220,13.51,c(cc(I)cc1I)(\C=N\c(cc2)ccc2C(OCCCC)=O)c1O,0.0
9745,CO-ADD:0229940,13.51,N1c(cccc2)c2C(OC1c(ccc(c34)OCO3)c4)(C)C,0.0
9746,CO-ADD:0228461,13.51,c1(C#N)c(N)nc(c2c1c3ccc(cc3Cl)Cl)CCCCCC2,0.0
9747,CO-ADD:0230481,13.51,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc(cc3)ccc3NC(=O)c4ccc(cc4)CSc(cc5)ccc5Cl,0.0
9748,CO-ADD:0231865,13.51,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c4c5c(cccc5)cc(cccc6)c46,0.0
9749,CO-ADD:0228026,13.51,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O)o1,0.0
9750,CO-ADD:0223522,13.51,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(cccc3C(F)(F)F)c3,0.0
9751,CO-ADD:0228332,13.51,N1(C(c2ccc(cc2)F)CC(c(cccc3[N+](=O)[O-])c3)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N(CC)CC)n4.Br,0.0
9752,CO-ADD:0235693,13.51,c1(CC(=O)NC(C)(C)CO)n(C)c(c2c1Sc3ccccc3)cccc2,0.0
9753,CO-ADD:0235567,13.51,c1(NC(CSc2nc(C)cc(C)n2)=O)nnc(SCC)s1,0.0
9754,CO-ADD:0235651,13.51,S(=O)(=O)(C(C)(C)C)c1ccc(cc1I)C,0.0
9755,CO-ADD:0232152,13.5,c1(C(c2ccccc2)=O)oc(c3c1NC(C)=O)cccc3,0.0
9756,CO-ADD:0230848,13.5,N1(c2cccc(Cl)c2)C(=O)C=C(N(CC3)CCN3c4ccccc4)C1=O,0.0
9757,CO-ADD:0228188,13.5,N(c1ccccc1)(CC2)CCN2CCC(=O)Nc3ccccc3OC,0.0
9758,CO-ADD:0223452,13.5,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/c2ccccc2)\COC(=O)c3cccc(C)c3)[N+](=O)[O-],0.0
9759,CO-ADD:0232610,13.5,n1c(N)[nH]nc1c2ccccc2,0.0
9760,CO-ADD:0231944,13.5,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(=O)C(O)(c3ccccc3)c4ccccc4,0.0
9761,CO-ADD:0232561,13.5,N1C(=O)\C(\SC1=S)=C\c(cc2)cc(c2OC(C)=O)OC,0.0
9762,CO-ADD:0232176,13.5,c1(c(Br)cc(cc1\C=N\NC(=O)c(ccc(n2)C)c2)Br)OC(=O)c3cccc(Br)c3,0.0
9763,CO-ADD:0222893,13.5,[N+](=O)([O-])c1ccc(cc1)\C=N\c(cc2)ccc2I,0.0
9764,CO-ADD:0235643,13.5,c1(c(C)cc(cc1C)C)NC(CNC2C(CC(CC23)CC4C3)C4)=O.Cl,0.0
9765,CO-ADD:0230698,13.5,c1(ccccc1Br)C(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccc(cc3)OC,0.0
9766,CO-ADD:0232377,13.5,N(C)(C(=O)\C(=C\Nc(cc1)ccc1Cc(cc2)ccn2)\C(N3C)=O)C3=O,0.0
9767,CO-ADD:0232590,13.49,N1(Cc2c(cccc2)C1)NC(c3ccccc3)=O,0.0
9768,CO-ADD:0230738,13.49,C(=O)(Nc(cc1)ccc1NC(C)=O)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O,0.0
9769,CO-ADD:0232627,13.49,N(C(=O)C(C)Sc(cc1)ccc1Sc(cc2)ccc2SC(C)C(=O)Nc3c(C)cc(cc3C)C)c4c(C)cc(cc4C)C,0.0
9770,CO-ADD:0235297,13.49,N1(Cc2ccccc2)C(=O)C(C(C3c4c5cccc4)C1=O)C5c(c36)cccc6,0.0
9771,CO-ADD:0235793,13.49,C(=O)(N\N=C\c(ccc(c1OCC)OCCC)c1)C(=O)NCC(C)C,0.0
9772,CO-ADD:0223291,13.49,c1(SCC(=O)N\N=C\c2ccccc2I)sc(c3n1)cccc3,0.0
9773,CO-ADD:0232540,13.49,C1(\N=C(/C)\C(=N\O)\C(OCC)=O)=C(C)N(N(c2ccccc2)C1=O)C,0.0
9774,CO-ADD:0232537,13.49,C(=O)(N\N=C\c(cccn1)c1)c2ccccn2,0.0
9775,CO-ADD:0223358,13.49,c1(SCC(NN)=O)[nH]c(c2n1)cccc2,0.0
9776,CO-ADD:0235738,13.49,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
9777,CO-ADD:0235348,13.49,c1(nonc1N)N(CC(=O)Nc2ccccc2[N+](=O)[O-])N=Nc3nonc3N,0.0
9778,CO-ADD:0222975,13.49,N1(c2ccccc2)C(=O)C(C(C1=O)C34\C=N\O)C(c(c35)cccc5)c(c46)cccc6,0.0
9779,CO-ADD:0223369,13.49,c(cc1)ccc1CCNC(=O)c2ccccc2S(=O)O,0.0
9780,CO-ADD:0235390,13.49,c1(C#N)c(C)c(oc1\N=C\c2cccc(Cl)c2)C,0.0
9781,CO-ADD:0231941,13.49,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(=O)C(O)(c3ccccc3)c4ccccc4)Br,0.0
9782,CO-ADD:0235538,13.49,c(C#N)(c(\C(\C#N)=C\c(cc1)ccc1\C=C(/C#N)\c2nn(c(N)c2C#N)c3ccccc3)nn4c5ccccc5)c4N,0.0
9783,CO-ADD:0235067,13.48,C(=C\c(cc1)ccc1F)/C(=O)c2ccc(cc2)\N=C\c3ccccc3OC,0.0
9784,CO-ADD:0232550,13.48,N1(C(C)=O)C(c2ccc(cc2)OC)SCC1C(=O)N(CC3)CCO3,0.0
9785,CO-ADD:0222906,13.48,c1(c(O)ccc(cccc2)c12)\C=N\c3ccc(cc3C)Br,0.0
9786,CO-ADD:0223348,13.48,C(CSc1ccccn1)(=O)N\N=C\C=C\c2ccccc2,0.0
9787,CO-ADD:0222992,13.48,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)NCC2CCCO2,0.0
9788,CO-ADD:0232359,13.48,c1(NC(=O)c2ccccc2C(O)=O)sc(c(C)c1C#N)C,0.0
9789,CO-ADD:0235580,13.48,N1(c2ccc(c(Cl)c2)Cl)N=C(\C(=C/c(cc3)ccc3N(C)C)\C1=O)C,0.0
9790,CO-ADD:0235399,13.48,n1(nc[nH]2)c2nnc1SCC(=O)Nc3sccn3,0.0
9791,CO-ADD:0232533,13.48,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)Nc(cccn2)c2,0.0
9792,CO-ADD:0232151,13.48,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2Br)\C=N\NC(COc3ccc(cc3Br)OC)=O,0.0
9793,CO-ADD:0231943,13.48,C(CNc1cccc(C)c1)(=O)N\N=C\c2cccs2,0.0
9794,CO-ADD:0223668,13.48,C(=O)(N\N=C\c1ccc(Br)s1)C(C)Oc(ccc(c23)cccc2)c3,0.0
9795,CO-ADD:0223653,13.48,s1c(\C=N\NC(=O)c2ccc(cc2)OCc3cccc(Br)c3)ccc1Br,0.0
9796,CO-ADD:0284744,13.48,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(ccc(c3OC)OCC#N)c3)\C1=O)C,0.0
9797,CO-ADD:0283647,13.48,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)OCC)c4sc(c5c4C#N)CCCC5,0.0
9798,CO-ADD:0223703,13.48,C(COc1ccccc1CC=C)(=O)N\N=C\c(ccc(c2OC)OCCCCC)c2,0.0
9799,CO-ADD:0229988,13.48,c1(ccc(\C=N\NC(=O)c(c2)cc(cn2)Br)o1)c3cc(Cl)ccc3Cl,0.0
9800,CO-ADD:0283663,13.48,N1(CC(C)C)\C(=N\c2ccccc2)\SC=C1c3ccc(c(C)c3)C.Br,0.0
9801,CO-ADD:0258740,13.48,c1(C(OCC)=O)c2c(oc1CN(CC3)CCN3Cc4oc(c5c4C(OCC)=O)ccc(O)c5)ccc(O)c2.Cl.Cl,0.0
9802,CO-ADD:0258933,13.48,C(C1=O)(C23Br)C(C(N1c(cc4)ccc4C(=O)OCC(=O)c5ccc(cc5)OC)=O)C(c(cccc6)c26)(c7c3cccc7)Br,0.0
9803,CO-ADD:0259195,13.47,N1(C)C(=S)SC(C)(C)C1\[N+](\[O-])=C\c2ccccc2,0.0
9804,CO-ADD:0259197,13.47,N1(c2ccccc2)C(C(SC1=S)(C)C)\[N+](\[O-])=C\c(cc3)ccc3Cl,0.0
9805,CO-ADD:0258813,13.47,c1(NC(=O)c2cc(F)cc(F)c2)sc(c3c1C(OCC)=O)CCC3,0.0
9806,CO-ADD:0277720,13.47,c1(n(CCC)c2c(cccc2)n1)c3nonc3N,0.0
9807,CO-ADD:0277860,13.47,N1(Cc(cccn2)c2)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(cc4)ccc4C(O)=O,0.0
9808,CO-ADD:0278040,13.47,C12(OCCO1)c3c(N(CC#C)C2=O)cccc3,0.0
9809,CO-ADD:0278114,13.47,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccccc4OC,0.0
9810,CO-ADD:0277714,13.47,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(cc(Cl)cc3Cl)c3OC)\N2c4ccccc4,0.0
9811,CO-ADD:0259481,13.47,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(c(Br)c3)OC)\N2CCc(ccc(c4OC)OC)c4.Br,0.0
9812,CO-ADD:0278035,13.47,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(cc4OC)cc(c4OC5=O)S5,0.0
9813,CO-ADD:0278547,13.47,N1(C(=O)CCC1=O)c2cccc(c2)C(=O)Nc(cc3)ccc3S(N)(=O)=O,0.0
9814,CO-ADD:0277838,13.47,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)CC)n(c3c1S(CCC)(=O)=O)cc(cc3C)C,0.0
9815,CO-ADD:0259767,13.47,C(/SC(N1CC)=S)(\C1=O)=C(/Sc(c23)cccc2)\N3c4ccccc4,0.0
9816,CO-ADD:0277820,13.47,n1c(c2ccccc2)nc(cc1c3ccccc3O)C(F)(F)F,0.0
9817,CO-ADD:0277836,13.46,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)Nc(cc3)ccc3Cl,0.0
9818,CO-ADD:0259945,13.46,C(/SC(C1=O)CC(=O)Nc(cc2)ccc2C(O)=O)(=N/c3c(C)cccc3C)\N1C,0.0
9819,CO-ADD:0278082,13.46,c1(SCC2(CCCCC2SC)O)sc(c3n1)cccc3,0.0
9820,CO-ADD:0278002,13.46,N(c1c2cccc1)(C(=O)CCN(CC3)CCO3)c(ccc(c4)NC(OCC)=O)c4S2,0.0
9821,CO-ADD:0277985,13.46,c1(NC(CCCC)=O)nnc(COc(cc2)ccc2C(C)(C)C)s1,0.0
9822,CO-ADD:0230275,13.46,C(=O)(c(cc1)ccc1C(=O)Nc2ccc(cc2Cl)NC(c3ccccc3)=O)Nc4ccc(cc4Cl)NC(c5ccccc5)=O,0.0
9823,CO-ADD:0229950,13.46,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C\c(cc3)ccc3OC,0.0
9824,CO-ADD:0228173,13.46,S1(=O)(=O)c(cccc2)c2C(Nc3ccccc3OC)=N1,0.0
9825,CO-ADD:0278105,13.46,C(C(OCC)=O)(C1c2ccccc2)=C(Nc3ccccc3)CC(C)(O)C1C(OCC)=O,0.0
9826,CO-ADD:0278113,13.46,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cc(Br)ccc4O,0.0
9827,CO-ADD:0230820,13.46,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C/c(ccc(c3OC)OC)c3)\C1=O)=O,0.0
9828,CO-ADD:0277691,13.46,c1(NC(=O)c(ccc(c2[N+](=O)[O-])C)c2)sc(c(C)c1C(OCC)=O)C,0.0
9829,CO-ADD:0277739,13.46,C1(C(=O)OCc(ccc(c23)OCO2)c3)=C(C)NC(=O)NC1c(cc4)ccc4N(C)C,0.0
9830,CO-ADD:0278018,13.45,c1(SCC(=O)Nc(cc2)ccc2[N+](=O)[O-])sc3c(ccc(c3)NC(C4CCCCC4)=O)n1,0.0
9831,CO-ADD:0230258,13.45,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c2c(C)cc(c(CCl)c2C)C)[N+](=O)[O-],0.0
9832,CO-ADD:0260141,13.45,C(=O)(C(c1ccccc1)c2ccccc2)Nc(c(OCC)ccc3C(F)(F)F)c3,0.0
9833,CO-ADD:0223717,13.45,N(=C\c(ccc(c1OC)OCCCCCC)c1)/N(C)c2ccccc2,0.0
9834,CO-ADD:0259387,13.45,[n+]1(C(C)(C)C)cnn(CC=C)n1,0.0
9835,CO-ADD:0259787,13.45,C1(c2ccccc2Br)=NNC(=S)N1C3CCCCC3,0.0
9836,CO-ADD:0277360,13.45,C(/C#N)(=C/c(ccc1c(c(C)ccc2[N+](=O)[O-])c2)o1)\C(=O)Nc(ccc(c3C)C)c3,0.0
9837,CO-ADD:0277368,13.45,c(N(c1ccccc1)c2ccccc2)(nc(Cl)nc3C(C)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n3,0.0
9838,CO-ADD:0277792,13.45,c(c(ccc1OCC)no2)(c2c3c(C4=O)cccc3)c14,0.0
9839,CO-ADD:0223646,13.45,C(=O)(N\N=C\c1ccc(Br)s1)C(Oc2ccccc2)Oc3ccccc3,0.0
9840,CO-ADD:0284501,13.45,N(COC)(c1c(CC)cccc1CC)C(=O)CN2C=CC=CC2=N.Cl,0.0
9841,CO-ADD:0258822,13.45,C(SC\C(\CS1)=N\O)(SC(S2)=S)=C12,0.0
9842,CO-ADD:0259222,13.45,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)F,0.0
9843,CO-ADD:0258919,13.45,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)OC)n3c(cccc3)c1S(CCC)(=O)=O,0.0
9844,CO-ADD:0258727,13.45,C1(C(OCCSCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)Br)=O,0.0
9845,CO-ADD:0258824,13.45,S(C1=S)C(SCC(OC)=O)=C(S1)SCCC#N,0.0
9846,CO-ADD:0228138,13.45,c1(NCC(=O)N\N=C\c2cccc(CC=C)c2O)c(Br)cc(cc1Br)Cl,0.0
9847,CO-ADD:0228174,13.45,S(=O)(=O)(c1ccc(cc1)C)Nc2nc3c(nc2Nc4ccccc4)cccc3,0.0
9848,CO-ADD:0277889,13.45,N1(CCCC(=O)[O-])C(C)(O)C(OC1=O)(C)C.[Na+],0.0
9849,CO-ADD:0230855,13.45,C(=O)(c1ccc(cc1)F)N\N=C(\CC2)/CCC2c3ccccc3,0.0
9850,CO-ADD:0277690,13.45,c1(C#N)c2c(sc1\N=C\c3cc(c4s3)cccc4)CCCC2,0.0
9851,CO-ADD:0292764,13.44,c1(s2)c(c(nn1c3ccccc3)C)cc2C(=O)n4ccc(C)n4,0.0
9852,CO-ADD:0296034,13.44,C(C1(CCCCC1)O)#Cc(cc2)ccc2C(NCCCCCCC)=O,0.0
9853,CO-ADD:0235898,13.44,c(N)(c(Br)c1)c(Br)cc1C(=O)OCC(=O)c2ccc(cc2)Br,0.0
9854,CO-ADD:0235614,13.44,N1(COC(NCCCC)=O)c(ccc(c2)Cl)c2OC1=O,0.0
9855,CO-ADD:0232344,13.44,C1(C(C)=O)=Cc2c(OC1=O)ccc(OC)c2,0.0
9856,CO-ADD:0223270,13.44,C(N)(=S)N\N=C(/C)\c1ccc(cc1)Br,0.0
9857,CO-ADD:0232310,13.44,C1(C2c3ccc(cc3)OCC(OC)=O)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
9858,CO-ADD:0232130,13.44,C(CC1C2(C)C)(C2C)\C(\C1)=N/NC(N)=S,0.0
9859,CO-ADD:0223265,13.44,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc2ccccc2C(O)=O,0.0
9860,CO-ADD:0237272,13.44,Cc1ccc2[nH]c(C3CCCNC3)c(c4ccncc4)c2c1.Cl.Cl,0.0
9861,CO-ADD:0237038,13.44,CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1,0.0
9862,CO-ADD:0237410,13.44,C[C@@H](N1CCCC[C@@H]1c2ccc(OCc3cccc(F)c3)cc2)C(=O)N,0.0
9863,CO-ADD:0237085,13.44,CCCn1c(CNc2ccccc2O)nc3ccccc13,0.0
9864,CO-ADD:0235640,13.44,c1(C(O)=O)c(C)[nH]c(C(OCC)=O)c1C,0.0
9865,CO-ADD:0235357,13.44,c1(nonc1N)\C(=N\OCc(cccc2[N+](=O)[O-])c2)\Nc(cc3)ccc3C,0.0
9866,CO-ADD:0223274,13.43,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(N)=S,0.0
9867,CO-ADD:0235581,13.43,N(C(=O)C=C)(C1)CN(CN1C(=O)C=C)C(=O)C=C,0.0
9868,CO-ADD:0232501,13.43,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)Cc2cccc(cccc3)c23)c(cc4OC)cc(c4OC)OC,0.0
9869,CO-ADD:0232241,13.43,c1(cc(Br)cc(\C=N\c(ccc(c23)oc(c4ccc(c(C)c4)C)n2)c3)c1O)[N+](=O)[O-],0.0
9870,CO-ADD:0235938,13.43,N(=C(/C)\c1ccc(cc1)C)/NC(COc2cccc(Br)c2)=O,0.0
9871,CO-ADD:0235200,13.43,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c(ccc(c34)OCO3)c4)=O,0.0
9872,CO-ADD:0237368,13.43,CCOc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1,0.0
9873,CO-ADD:0237291,13.43,C1CN(CCO1)c2cc(n[nH]2)c3ccc(Oc4ccccc4)cc3,0.0
9874,CO-ADD:0237130,13.43,Cc1cc(ccc1C(=O)NCc2ccc3B(O)OC(C)(C)c3c2)C4=NOC(C4)(c5cc(Cl)c(F)c(Cl)c5)C(F)(F)F,0.0
9875,CO-ADD:0237392,13.43,Nc1nc(N)c2c3CCN(Cc4ccccc4)Cc3sc2n1,0.0
9876,CO-ADD:0237430,13.43,CCP(=[Au]S[C@H]1O[C@@H](COC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)(CC)CC,0.0
9877,CO-ADD:0237267,13.43,CC(C)(C)c1ccc(N[C@@H]2CCCC[C@H]2NC(=O)c3occc3)cc1,0.0
9878,CO-ADD:0237190,13.43,Nc1ncc(cc1c2ccc(nc2)C(F)(F)F)c3ccc(nc3)C(F)(F)F,0.0
9879,CO-ADD:0232509,13.43,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(COc(ccc(c3C)C)c3)=O,0.0
9880,CO-ADD:0235382,13.43,P(=O)(Oc1cccc(C)c1)(Oc2cccc(C)c2)N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-],0.0
9881,CO-ADD:0235417,13.43,c1(C#N)c(SCC(=O)Nc2ccc(cn2)C)nc(cc1C(F)(F)F)c3cccs3.c4(C#N)c(c5cccs5)cc(nc4SCC(=O)Nc6ccc(cn6)C)C(F)(F)F,0.0
9882,CO-ADD:0235041,13.43,C(=C\c1ccccc1)/C(=O)c2ccc(cc2)\N=C\c(cc3)ccc3OC(COc4ccccc4)=O,0.0
9883,CO-ADD:0231947,13.43,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(cccn2)c2)c3cccc(Br)c3,0.0
9884,CO-ADD:0235806,13.43,[nH]1c(ccc(c2)OC)c2c(CCNC(CCl)=O)c1,0.0
9885,CO-ADD:0235687,13.42,C1(C(=O)Nc(ccc(Br)c2)c12)(N(C3)C4)N(CC4(C5=O)C)CC35C,0.0
9886,CO-ADD:0235912,13.42,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(NCCOc3ccccc3)=O,0.0
9887,CO-ADD:0293703,13.42,N1(c2c(cccn2)C)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
9888,CO-ADD:0293987,13.42,N1(c2ccccc2F)C(c3ccccc3OC)CC(c4ccc(cc4)F)=N1,0.0
9889,CO-ADD:0295402,13.42,C(C(OCC)=O)(C1c2ccc(cc2Cl)Cl)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
9890,CO-ADD:0293559,13.42,c1(C(=O)Nc(ccc(c2Cl)F)c2)nn(cc1Br)CC,0.0
9891,CO-ADD:0294701,13.42,N1(c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2C)C(=O)c3c(N=C1C(F)(F)F)cccc3,0.0
9892,CO-ADD:0292355,13.42,c1(N(CC(OC)=O)C#N)nc(NCC)nc(NC(C)(C)C)n1,0.0
9893,CO-ADD:0292321,13.42,C1(=O)Oc2c(C(C)=C1CCCCC)ccc(OCC=C)c2,0.0
9894,CO-ADD:0294123,13.42,c1(cc(ccc1N(CC2)CCN2CC)[N+](=O)[O-])C(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
9895,CO-ADD:0295973,13.42,c12c([nH]nc1c(cc3)ccc3[N+](=O)[O-])OC(=C(C#N)C24c5c(NC4=O)cccc5)N,0.0
9897,CO-ADD:0293518,13.42,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(OCC)c3)OC,0.0
9898,CO-ADD:0295532,13.42,c12c(CCNC1c3ccccc3)cc(c(OC)c2)OC,0.0
9899,CO-ADD:0293440,13.42,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(c(cc5)ccc5C(OCC)=O)o4)c3C#N)C#N,0.0
9900,CO-ADD:0293950,13.42,C1(C(OCC)=O)=NN(C(c2ccc(cc2)Cl)N1C(C)(C)C)c3ccc(cc3)Cl,0.0
9901,CO-ADD:0293216,13.42,S(=O)(=O)(NCC(O)=O)c1ccc(c2c1)cccc2,0.0
9902,CO-ADD:0294528,13.42,c1(cc(ccc1[N+](=O)[O-])S(Cl)(=O)=O)[N+](=O)[O-],0.0
9903,CO-ADD:0293575,13.42,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2CCC(=O)Nc(cc3)ccc3C,0.0
9904,CO-ADD:0294131,13.41,C(=N/c(cc1)ccc1C(O)=O)(/SC=C2c3ccc(cc3)Cl)\O2,0.0
9905,CO-ADD:0294107,13.41,C1(=C2O)C(c(c23)cccc3)=Nc4c(cccc4)SC1c5ccc(cc5)OCC,0.0
9906,CO-ADD:0294690,13.41,N1(CCCCCCN2C(C)(O)C(OC2=O)(C)C)C(C)(O)C(OC1=O)(C)C,0.0
9907,CO-ADD:0294665,13.41,c1(C(c2ccccc2)=O)oc(c3c1NC(CCl)=O)cccc3,0.0
9908,CO-ADD:0295675,13.41,C(C(c1ccccc1)=O)(C2c(cc3)ccc3N(C)C)=C(O)C(N2CCCC(O)=O)=O,0.0
9909,CO-ADD:0296104,13.41,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2CCOc3c(C)non3,0.0
9910,CO-ADD:0294691,13.41,N1(CCCCCCN2C(C)(O)C3(OC2=O)CCCCC3)C(C)(O)C4(OC1=O)CCCCC4,0.0
9911,CO-ADD:0293732,13.41,c1c(cccc1Oc(cc2)ccc2N)O,0.0
9912,CO-ADD:0293279,13.41,c1(NC(CSc2[nH]c(c3n2)ccc(C)c3)=O)sc(c4n1)cccc4,0.0
9913,CO-ADD:0292413,13.41,N1(c2ccccc2[N+](=O)[O-])C(CCCC3=O)=C3C(C(C#N)=C1N)c(ccs4)c4,0.0
9914,CO-ADD:0293467,13.41,c1(C(OCC)=O)c2c(oc1CN(CC)CC)ccc(OC)c2,0.0
9915,CO-ADD:0292440,13.41,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCO3)n2)CC(c4ccccc4)=O,0.0
9916,CO-ADD:0295383,13.4,C1(C#N)(CC(N2C(C)=O)(O)CC(CCC)C1(C#N)C#N)C2=O,0.0
9917,CO-ADD:0295378,13.4,n(CCc(cc1)ccc1Cl)(c2c(c3C(OCC)=O)cc(O)c(cccc4)c24)c3C,0.0
9918,CO-ADD:0294562,13.4,c1(N(CC2)CCO2)nc(ccc(c3)Cl)c3c(c4ccccc4)n1,0.0
9919,CO-ADD:0292508,13.4,c1(NC(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc(cc3)ccc3OC,0.0
9920,CO-ADD:0295786,13.4,n1c2c(CCCCC2)cc(C#N)c1SCC(=O)N3CCCCC3,0.0
9921,CO-ADD:0294514,13.4,n(Cc1ccc(cc1Cl)Cl)(c2c(c3\C=C(/C#N)\C(=O)Nc(ccc(c4C)C)c4)cccc2)c3,0.0
9922,CO-ADD:0294464,13.4,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)OCC(=O)Nc2ccccc2Br,0.0
9923,CO-ADD:0294042,13.4,N1(Cc(ccc(c23)OCO2)c3)C(=O)CC(N(CC4)CCC4(C(N)=O)N5CCCCC5)C1=O,0.0
9924,CO-ADD:0295016,13.4,N1(c2c(Br)ccc(C(O)=O)c2)C(=O)C(C(CC=C3)C1=O)C3,0.0
9925,CO-ADD:0295304,13.4,N1(Cc2ccco2)C(=O)NC(\C(=C/c(cc3)ccc3N(CC)CC)\C1=O)=O,0.0
9926,CO-ADD:0294439,13.4,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4ccccc4OCCC,0.0
9927,CO-ADD:0295280,13.4,[N+](=O)([O-])c1ccc(cc1NCc(cc2)ccc2Cl)N3CCCCC3,0.0
9928,CO-ADD:0296175,13.4,N(C(=O)\C(\S1)=C/c2ccc(cc2OC)OC)=C1N3CCCC(C)C3,0.0
9929,CO-ADD:0292740,13.4,N1(CCC(Nc(cccc2)c12)=O)C(=O)c3ccc(cc3Cl)Cl,0.0
9930,CO-ADD:0295478,13.4,C(=O)(Nc1cc(Cl)cc(Cl)c1)CC(=O)Nc2cc(Cl)cc(Cl)c2,0.0
9931,CO-ADD:0295032,13.4,N(CCN1C(=O)c2c(SC)nsc2SC)(C1C(C)C)S(=O)(=O)c3ccc(cc3)C,0.0
9932,CO-ADD:0292226,13.4,c1(sc(c2n1)cccc2)\C(\C#N)=C(/O)\c3ccc(cc3)F,0.0
9933,CO-ADD:0293441,13.4,c1(nc(c2n1N(C(C)=O)C(C)=O)cccc2)c3nonc3NC(C)=O,0.0
9934,CO-ADD:0293408,13.39,n1(c2c(n3)cccn2)c3S\C(=C/c(cc4)cc(c4OC(C)=O)OC)\C1=O,0.0
9936,CO-ADD:0295729,13.39,s1c(nnc1NC(=O)c2cccc(C)c2)\C(\C#N)=C\c(cc3)ccc3N(C)C,0.0
9937,CO-ADD:0294776,13.39,C(CN1CC2(CN3C1c4cccc(Br)c4)[N+](=O)[O-])(C3)([N+](=O)[O-])C2(C)C,0.0
9938,CO-ADD:0294427,13.39,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc(c(Cl)ccc4C(F)(F)F)c4)c1Cl,0.0
9939,CO-ADD:0292320,13.39,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)NCC5CCCO5)c3)nnc1c(cc6)ccc6C(C)(C)C,0.0
9940,CO-ADD:0293973,13.39,N1=C(SCC=C)NC(c2ccccc2)=CC1c3ccccc3Cl.Br,0.0
9941,CO-ADD:0294502,13.39,C1(C2c3ccc(cc3)C)=C(NCCN=C1c4ccccc4)C(N2c5ccccc5)=O,0.0
9942,CO-ADD:0292970,13.39,c12c(c(cc(Sc3c(ccc(C)c3)N4)c14)OC(C)=O)C(c5c(cccc5)C2=O)=O,0.0
9943,CO-ADD:0293588,13.39,c1(N(CC2)CCN2C(c3ccccc3)=O)scc(c4ccccc4)n1,0.0
9944,CO-ADD:0294598,13.39,n1c2c(oc1c(cccc3NC(=O)c4ccc(c5ccc(cc5)Cl)o4)c3)ccc(Cl)c2,0.0
9945,CO-ADD:0295603,13.39,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3Cl)Cl)=C(O)C(N2Cc(cccn4)c4)=O,0.0
9946,CO-ADD:0293970,13.38,c12c(ccc3c1OC(=O)C=C3C)O\C(=C/c(cc4)cc(c4[N+](=O)[O-])OC(C)=O)\C2=O,0.0
9947,CO-ADD:0292212,13.38,N1(c2ccccc2)C(=O)c3c(c(ccc4N(CC5)CCO5)C1=O)c4ccc3,0.0
9948,CO-ADD:0294755,13.38,N1(Cc2ccccc2)C(\C=C\c(c(cccc3)c3n4Cc5ccccc5)c4)=Nc(c6C1=O)cccc6,0.0
9949,CO-ADD:0292416,13.38,N1(CC(=O)CN2C(=O)\C(\SC2=O)=C\c(cccc3[N+](=O)[O-])c3)C(=O)\C(\SC1=O)=C\c(cccc4[N+](=O)[O-])c4,0.0
9950,CO-ADD:0295441,13.38,N1(c2c(CC1C)cccc2)C(=O)c3cc(F)cc(F)c3,0.0
9951,CO-ADD:0292365,13.38,c1(SCc(c(C)c2)c(C)cc2C(C)(C)C)sc3c(ccc(c3)NC(=O)c4ccccc4F)n1,0.0
9952,CO-ADD:0292986,13.38,C12=C(CC(C)(C)CC1=O)NC(C)=C(C#N)C2c3cccc(O)c3,0.0
9953,CO-ADD:0295864,13.38,c1(OC(N)=C(C2c3c(F)c(F)c(c(F)c3F)F)C#N)c2c(n[nH]1)CCC,0.0
9954,CO-ADD:0295385,13.38,[n+]([O-])(c1c2CCCC1)c3c([n+]2[O-])ccc(Cl)c3,0.0
9955,CO-ADD:0294605,13.38,c1(C#N)c(N)[nH]nc1\C(\C#N)=C/c(ccc2c(ccc(c3Cl)Cl)c3)o2,0.0
9956,CO-ADD:0295299,13.38,N1(c2ccc(cc2)F)C(=O)\C(=C\Nc(cc3)ccc3F)\C(NC1=O)=O,0.0
9957,CO-ADD:0294446,13.38,C(C(=O)OC1CCCCC1)(C2c(cccn3)c3)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
9958,CO-ADD:0295703,13.38,c1(NC(CSc2oc(c3n2)cccc3)=O)sc(c4c1C(N)=O)CCCC4,0.0
9959,CO-ADD:0293473,13.38,S(=O)(=O)(c1ccc(cc1)NC(=O)c2cccs2)Nc3nccc(C)n3,0.0
9960,CO-ADD:0295940,13.38,c1(OC(N)=C(C2c3cccc(I)c3)C#N)c2c(n[nH]1)CCC,0.0
9961,CO-ADD:0300057,13.38,S(=O)(=O)(c(ccc1c2c3c(o1)cccc3)c2)NC(C)c4ccc(cc4)CC,0.0
9962,CO-ADD:0290349,13.37,N1(\N=C(/C)\c2ccc(cc2)Cl)C(=O)CN(Cc3ccccc3)C1c4ccc(cc4Cl)Cl,0.0
9963,CO-ADD:0300058,13.37,s1c(C)nnc1SCC(=O)Nc(cc2)ccc2NC(C)=O,0.0
9964,CO-ADD:0287273,13.37,c12c(nnc(SCC(=O)NCc3ccco3)n1)c4c(cccc4)n2CCC,0.0
9965,CO-ADD:0299885,13.37,N(\C(=C\c(ccc(c12)OCO1)c2)\C(O3)=O)=C3c4cccc(OC)c4,0.0
9966,CO-ADD:0287592,13.37,c1(C(OCC)=O)nsc(Cl)c1Cl,0.0
9967,CO-ADD:0287185,13.37,C12=C(c3c(cccc3)OC1=O)OC(N)=C(C#N)C2c4c(C)nn(c5ccccc5)c4Cl,0.0
9968,CO-ADD:0290837,13.37,n1(c(C)ncc1[N+](=O)[O-])S(c2ccccc2)(=O)=O,0.0
9969,CO-ADD:0290869,13.37,C(/N1)(\c(cccc2C)c2CC1(C)C)=C(/C3=O)\C(CCC3)=O,0.0
9970,CO-ADD:0290791,13.37,c1(C#N)c(SCCCC)nsc1SCC(c2ccccc2)=O,0.0
9971,CO-ADD:0290873,13.37,C1(C(OC)=O)(C(OC)=O)C(C1(CC)C(c2ccccc2)=O)c3ccc(cc3)Cl,0.0
9972,CO-ADD:0259221,13.37,c1(OC(N)=C(C2c3ccccc3F)C#N)c2c(n[nH]1)CCC,0.0
9973,CO-ADD:0258742,13.37,c1(c2ccccc2)nc([nH]c1c3ccccc3)SCC(=O)N(CC4)CCO4,0.0
9974,CO-ADD:0283267,13.37,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccccc2C)Nc3cc(OC)nc(OC)n3,0.0
9975,CO-ADD:0278611,13.37,C1(C(=O)OCc(ccc(c23)OCO2)c3)=C(C)NC(NC1c4ccc(c(OCC)c4)O)=O,0.0
9976,CO-ADD:0278332,13.37,C(/C#N)(\NC(OCC)=O)=C(/NC)\NC,0.0
9977,CO-ADD:0278301,13.37,S(=O)(=O)(c(cccc1C(=O)Nc(cccc2C(O)=O)c2)c1)N3CCc(cccc4)c34,0.0
9978,CO-ADD:0260174,13.37,C(=O)(Nc(ccc(c1Cl)C)c1)C(N)=O,0.0
9979,CO-ADD:0279019,13.36,N1(CC(O)=O)C(=O)\C(\SC1=S)=C\c(ccc(c2OCc(cc3)ccc3Cl)OC)c2,0.0
9980,CO-ADD:0279211,13.36,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(c3c([nH]4)cccc3)c4)\N2C5CCCC5,0.0
9981,CO-ADD:0283609,13.36,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2C(O)=O)c1)Nc(cccc3C(C)=O)c3,0.0
9982,CO-ADD:0284165,13.36,N1(C)C(=O)\C(\SC1=O)=C/c(cc(n2c3ccc(cc3)Cl)C)c2C,0.0
9983,CO-ADD:0291285,13.36,C(/S\C(\C1=O)=C\c2ccccc2OCc3ccc(cc3Cl)Cl)(=N\C(C)=O)\N1,0.0
9984,CO-ADD:0287881,13.36,N1(c2ccc(cc2)OCc3ccccc3Cl)CC(CC1=O)C(OC)=O,0.0
9985,CO-ADD:0287539,13.36,C(C#N)(C(c1ccc(cc1)SC)C2=C(N3c4ccc(cc4F)Br)CC(C)(C)CC2=O)=C3N,0.0
9986,CO-ADD:0287571,13.36,c1(O2)c(cc(c(OC(NC)=O)c1Br)Br)SC2=O,0.0
9987,CO-ADD:0287429,13.36,C(/SC=C1c2ccc(cc2)OC)(=N/c3ccccn3)\N1c4ccccc4,0.0
9988,CO-ADD:0287126,13.36,[N+](=O)([O-])c(cccc1c2ccc(\C=C(\C=C(O3)C)/C3=O)o2)c1,0.0
9989,CO-ADD:0287221,13.36,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(=O)NCc(cccn4)c4,0.0
9990,CO-ADD:0286660,13.36,N1(c2cccc(c2)C(OCC)=O)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
9991,CO-ADD:0286692,13.36,c1(c(O)ccc2\C=N\NC(=O)c3cccc(Br)c3)c2cccn1,0.0
9992,CO-ADD:0286711,13.36,n1(c(cc2)ccc2C(O)=O)nnnc1SCc(cc3)ccc3OC,0.0
9993,CO-ADD:0292099,13.35,n1(c2cccc(Cl)c2)nc(c3n1)ccc(NC(COc4ccc(cc4C)C)=O)c3,0.0
9994,CO-ADD:0286311,13.35,c1(C(=O)N(CC)CC)c2c(sc1NC(=O)c3cccc(C)c3)CCCCC2,0.0
9995,CO-ADD:0292465,13.35,C1(C(c2ccccc2)N3)=C(CN(c4ccc(c(C)c4)C)C1=O)N(C3=O)C,0.0
9996,CO-ADD:0292411,13.35,C(C#N)(C(c(cccc1[N+](=O)[O-])c1)C2=C(N3c4ccccc4F)CC(C)(C)CC2=O)=C3N,0.0
9997,CO-ADD:0296043,13.35,C(C(OCC)=O)(C(c1ccc(cc1)OCC)N2)=C(C)N(C2=O)CCO,0.0
9998,CO-ADD:0295725,13.35,C(F)(F)(F)c(cc(C)nc1SCC(=O)Nc2ccc(cc2F)Cl)n1,0.0
9999,CO-ADD:0292507,13.35,C1(C(OCC)=O)=C(C)NC(=O)CC1c2c(cccc2F)Cl,0.0
10000,CO-ADD:0292950,13.35,N1(C2)C(SCC1=O)=NCN2c3ccccc3,0.0
10001,CO-ADD:0294520,13.35,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(=O)c(cc4Cl)cc(c4OC)Cl,0.0
10002,CO-ADD:0295391,13.35,c1(OCc(cc2)ccc2F)c(OC)cc(cc1I)C=O,0.0
10003,CO-ADD:0296031,13.35,N(N(c1ccc(cc1)C)C(OC)=O)C(=O)C(CCC)(CCC)O,0.0
10004,CO-ADD:0296008,13.34,c1(nc(c2n1CC(=O)Nc(ccc(c3F)C)c3)cccc2)c4nonc4N,0.0
10005,CO-ADD:0292219,13.34,N1(c2ccc(c(C)c2)C)C(=O)c3c(N=C1c4ccccc4)cccc3,0.0
10006,CO-ADD:0293307,13.34,S(=O)(=O)(c1ccc(cc1)NC(C2CCCCC2)=O)\N=C(\N)/N,0.0
10007,CO-ADD:0294897,13.34,C(=S)(NC(c1ccccc1Cl)C=C2c3ccc(cc3)Br)N2,0.0
10008,CO-ADD:0292669,13.34,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc4ccc(cc4Cl)Cl)n2,0.0
10009,CO-ADD:0293141,13.34,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(cc(OCO4)c4c5)c5Br)\C1=O)=NC(C)=C2C(OC)=O,0.0
10010,CO-ADD:0293636,13.34,c1(C(OCC)=O)c2c(oc1CN3CCCC3)ccc(OC)c2,0.0
10011,CO-ADD:0294700,13.34,N1C(c(cc2Br)cc(c2O)Br)SCC1C(O)=O,0.0
10012,CO-ADD:0293197,13.34,c(c(C)nc1NC(C)=O)(s1)c2csc(Nc(cccc3C(O)=O)c3)n2.Br,0.0
10013,CO-ADD:0285461,13.34,c1(csc(Nc2ccccc2Cl)n1)C3(C)CC(C(=O)O3)CCCCCC,0.0
10014,CO-ADD:0285469,13.34,C12(CC(OC1=O)COCC(C)C)CC(OC2=O)(C)c3csc(N)n3,0.0
10015,CO-ADD:0290609,13.34,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(\c(ccc(c23)OCCO2)c3)/c4ccccc4Cl)[N+](=O)[O-],0.0
10016,CO-ADD:0290617,13.34,C1(C(=O)c2ccc(cc2)OC)=C(O)C(NC1c3cccc(F)c3)=O,0.0
10017,CO-ADD:0285431,13.34,[N+](=O)([O-])c(c1)c(cccn2)c2c(O)c1CN3CCC(c4ccccc4)C3,0.0
10018,CO-ADD:0290913,13.34,N1=C(c(cc2)ccn2)NNC(c(cc3)ccn3)=N1,0.0
10019,CO-ADD:0290929,13.34,S(C)(=O)(=O)N1CCc(cc(N)cc2)c12,0.0
10020,CO-ADD:0290762,13.34,N1(C2CCCCC2)C(=O)\C(\SC1=S)=C/c(c3c([nH]4)cccc3)c4,0.0
10021,CO-ADD:0290802,13.33,c1(OC(N)=C(C2c(cc3OC)cc(c3O)OC)C#N)c2c(n[nH]1)C,0.0
10022,CO-ADD:0290956,13.33,S(=O)(=O)(NCc(cccn1)c1)c2c(OCC)ccc(OCC)c2,0.0
10023,CO-ADD:0290868,13.33,C(C(OCCOC)=O)(C1c2ccc(cc2)SC)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
10024,CO-ADD:0257427,13.33,C12c3c(cccc3)C(CC1C(=O)Nc(cc4)ccc4I)c(cccc5)c25,0.0
10025,CO-ADD:0259127,13.33,c1(c2N)c(sc2C#N)nc(N)c(C#N)c1c(cc3OC)cc(c3OC)OC,0.0
10026,CO-ADD:0277454,13.33,c1([nH]c(c2n1)c3c(c(cccc4)c24)cccc3)c5c6c([nH]c5)cccc6,0.0
10027,CO-ADD:0258632,13.33,N1(c2ccccc2CC)C(=O)C(C3C1=O)C(c4ccccc4)CCC3c5ccccc5,0.0
10028,CO-ADD:0259284,13.33,c1(c2ccccc2Cl)noc(C)c1C(NCCOc3ccccc3Cl)=O,0.0
10029,CO-ADD:0259333,13.33,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4Cc5ccccc5,0.0
10030,CO-ADD:0284700,13.33,C(C(OCCCCOC(=O)C(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c4c3)OCO4)=O)(=C(C)NC(=C56)CC(CC5=O)(C)C)C6c7ccc(c8c7)OCO8,0.0
10031,CO-ADD:0277680,13.33,c(cc1C)(c(F)cc1C(C)=O)N(CC2)CCN2C(C)=O,0.0
10032,CO-ADD:0287544,13.33,C(C#N)(C(c1ccc(cc1)F)C2=C(N3c4ccc(cc4F)Br)CC(C)(C)CC2=O)=C3N,0.0
10033,CO-ADD:0291818,13.33,N1(CCCC(=O)Nc(cc2)ccc2OC(F)F)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
10034,CO-ADD:0291530,13.33,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)c(ccc(c45)OCO4)c5)(C)C)=C1c6c3cc(C)c(C)c6,0.0
10035,CO-ADD:0291820,13.33,C1(=NC(=O)NC2=O)C2=Cc(cc3[N+](=O)[O-])c(cc3)N1c4cccc(c4)[N+](=O)[O-],0.0
10036,CO-ADD:0291892,13.33,C(C(=O)c1ccc(cc1)Br)(C2c3ccccc3OC)=C(O)C(N2c(cccc4C(F)(F)F)c4)=O,0.0
10037,CO-ADD:0291863,13.33,n(c1c2cccc1)c(c3ccc(cc3)OC(=O)\C=C\c4ccccc4)cn2,0.0
10038,CO-ADD:0286312,13.33,c1(C(=O)Nc2cccc(C)c2)c(C)c(sc1N)c3ccccc3,0.0
10039,CO-ADD:0286448,13.33,C1(C#N)=C(N)N(c2c(cccc2Cl)Cl)C(=CC1(C(OC)=O)C(F)(F)F)C,0.0
10040,CO-ADD:0287892,13.33,n1(c(C)c(nn1)\C(\C)=N/NC(=S)Nc2ccccc2)c3nonc3N,0.0
10041,CO-ADD:0299770,13.33,c12c(NC(=CC(=O)N1)C)non2,0.0
10043,CO-ADD:0299564,13.33,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1OCC)C(=O)Nc2ccccc2C,0.0
10044,CO-ADD:0292735,13.33,N(C(CC)=O)(c1c2cccc1)CC(C)C(N2)=O,0.0
10045,CO-ADD:0292829,13.33,C(C(=O)c1ccc(cc1)OC)(C2c(cc3)ccc3C(C)C)=C(O)C(N2CCCCCC(O)=O)=O,0.0
10046,CO-ADD:0294547,13.33,C1(C(OCC)=O)=C(NCCc2ccccc2)c3c(cccc3)NC1=O,0.0
10047,CO-ADD:0292555,13.32,N1(CN(CC2)CCN2Cc3ccccc3)c4c(\C(=N\c(cc5)ccc5OC)\C1=O)cc(Br)cc4,0.0
10048,CO-ADD:0292911,13.32,C1(c(cc2)ccc2[N+](=O)[O-])=CC(=O)Oc(cc(O)cc3O)c13,0.0
10049,CO-ADD:0292235,13.32,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc(cccc4C(F)(F)F)c4)c2)sc5c(ccc(OCC)c5)n1,0.0
10050,CO-ADD:0292328,13.32,n1(C)c(S)nnc1C23CC4CC(CC(C4)C2)C3,0.0
10051,CO-ADD:0292322,13.32,c1(OC(N)=C(C2c3ccc(c4c3)OCO4)C#N)c2c(n[nH]1)COC,0.0
10052,CO-ADD:0293345,13.32,N1(C)C(=O)N(C(NC(=O)N2CCC(O)=O)C12)C,0.0
10053,CO-ADD:0294549,13.32,C1(C(OCC)=O)=C(NCCCCCCCCCC)c2c(cccc2)NC1=O,0.0
10054,CO-ADD:0293917,13.32,c1(cc(ccc1SC2CCCCC2)C(=O)Nc3ccccn3)[N+](=O)[O-],0.0
10055,CO-ADD:0293879,13.32,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(=O)Nc2cc(ccc2N3CCCC3)C(F)(F)F,0.0
10056,CO-ADD:0292973,13.32,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)N5CCc(cccc6)c56)c3,0.0
10057,CO-ADD:0295254,13.32,c12c(n(c(NCCOc(cc3)ccc3F)n1)C)C(N(C)C(=O)N2C)=O,0.0
10058,CO-ADD:0292295,13.32,c(S(CCCCCCCC)=O)(c1N)sc(c12)nc(cc2C(F)(F)F)c3cccs3,0.0
10059,CO-ADD:0293749,13.32,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(cc5Cl)Cl)cccc4,0.0
10060,CO-ADD:0294270,13.32,C(=O)(N(CC1)CCO1)Oc2c(cccc2C=O)OC,0.0
10061,CO-ADD:0293494,13.32,c12c(ccc(Br)c1)nc(c(CC=C)c2S)C,0.0
10062,CO-ADD:0285465,13.32,c1(csc(Nc(cc2)ccc2C)n1)C3(C)CC(C(=O)O3)CCCCCC,0.0
10063,CO-ADD:0299656,13.32,c1(C#N)c(cccc2)c2n(C)c1CNc3ccccc3C,0.0
10064,CO-ADD:0299682,13.31,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c(cc3)ccc3N(C)C,0.0
10065,CO-ADD:0285420,13.31,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCC2)C(=O)Nc(cc4)ccc4OCC,0.0
10066,CO-ADD:0285500,13.31,N1(Cc2cccc(cccc3)c23)c(cccc4)c4\C(=N\c5ccccc5C)\C1=O,0.0
10067,CO-ADD:0290648,13.31,[n+](CCS1)(c2c(s3)cccc2)c13.[Br-],0.0
10068,CO-ADD:0291028,13.31,S(=O)(=O)(NCc1ccco1)c2ccc(c(C)c2)Cl,0.0
10069,CO-ADD:0291310,13.31,N1C(=O)\C(\SC1=S)=C/c2sccc2C,0.0
10070,CO-ADD:0292023,13.31,n1(cnc2c1ncnc2N)C(O3)C(O)C(C3C(NCC)=O)O,0.0
10071,CO-ADD:0290481,13.31,C(/S(CC)(=O)=O)(\S(CC)(=O)=O)=C(/Nc1ccccc1)\Nc2ccccc2,0.0
10072,CO-ADD:0290538,13.31,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4cccc(OC)c4,0.0
10073,CO-ADD:0257524,13.31,C(=N/c1ccccc1)(/SC=C2c(cc3)ccc3c4ccccc4)\N2CCc(cc5)ccc5OC.Br,0.0
10074,CO-ADD:0257844,13.31,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c3ccc(c(OC)c3)O)=O,0.0
10075,CO-ADD:0277442,13.3,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c5ccc(cc5C)OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
10076,CO-ADD:0284797,13.3,c1(\N=C/c(ccc(c2OC)OCc3cccc(cccc4)c34)c2)sc(c5c1C(=O)NCc6ccccc6)CCCC5,0.0
10077,CO-ADD:0257762,13.3,N1(N(C)C)\C(=N\c2ccccc2)\S\C(=C\c(cc3)ccc3OCC(C)C)\C1=O,0.0
10078,CO-ADD:0258009,13.3,c1(O)c(cc(cc1C(C)(C)C)CCC(=O)NC(CC2(C)C)CC(N2)(C)C)C(C)(C)C,0.0
10079,CO-ADD:0284039,13.3,n12c(S\C(=C\c(cc3OC)cc(c3OC(C)=O)OC)\C1=O)nc(cc(C)c(C)c4)c24,0.0
10080,CO-ADD:0278066,13.3,C(/SC(N1C)=S)(\C1=O)=C(/Sc(c23)cccc2)\N3CCCS(O)(=O)=O,0.0
10081,CO-ADD:0284306,13.3,C(=C\c1ccccc1OC)(/C(C)=NN2c(ccc(c3C(O)=O)Cl)c3)\C2=O,0.0
10082,CO-ADD:0299907,13.3,N1(c2ccc(c(C)c2)C)CC(CC1=O)C(=O)Nc3ccccc3Cl,0.0
10083,CO-ADD:0291714,13.3,n1(c(cccc2C(F)(F)F)c2)nc(c3n1)ccc(NC(=O)c(ccc4c5cc(Cl)ccc5Cl)o4)c3,0.0
10084,CO-ADD:0299344,13.3,c12c(C(N(C)C(=O)N1C)=O)n(c(Cl)n2)Cc3ccc(cc3Cl)F,0.0
10085,CO-ADD:0291709,13.3,C1([N+](=O)[O-])=C(\C=C/c(cc2)ccc2Br)NC(NC1=O)=O,0.0
10086,CO-ADD:0286983,13.3,c1(C(OCC)=O)c(C)c(sc1N)C(=O)Nc2cccc(Cl)c2,0.0
10087,CO-ADD:0285558,13.3,C(OC)(=O)c1ccc(cc1)NC(COc2ccccc2)=O,0.0
10088,CO-ADD:0299600,13.3,C1(CCC(OC)=O)(CCC(OC)=O)C(=O)CC(CC1=O)(C)C,0.0
10089,CO-ADD:0299753,13.3,C(=O)(NC1CCCCC1)c2ccccc2N,0.0
10090,CO-ADD:0285551,13.3,c(cn(n1)c2ccccc2)(c1c3ccccc3)C4SCC(=O)N4Cc(cc5)ccc5C,0.0
10091,CO-ADD:0289041,13.3,c1c(OCO2)c2ccc1C(CC(=O)O)c3ccccc3,0.0
10092,CO-ADD:0299784,13.29,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c(ccc(c3OC)O)c3)\C1=O)=O,0.0
10093,CO-ADD:0292218,13.29,n12c(c3c(cccc3)CC14CCCCC4)nnn2,0.0
10094,CO-ADD:0292438,13.29,N12C(S\C(=C/c(cccc3[N+](=O)[O-])c3)\C1=O)=NN=C(c4ccccc4)C2c5ccccc5,0.0
10095,CO-ADD:0293395,13.29,C1(N2)=C(C(C3=C2c4c(C3=O)cccc4)c5cccc(Br)c5)C(NC(=O)N1C)=O,0.0
10096,CO-ADD:0292410,13.29,N1(c2ccccc2[N+](=O)[O-])C(CCCC3=O)=C3C(C(C#N)=C1N)c(cccc4[N+](=O)[O-])c4,0.0
10097,CO-ADD:0293700,13.29,N(c1cccc(cccc2)c12)(C(=O)C(C34)NN=C3C(OCC)=O)C4=O,0.0
10098,CO-ADD:0295467,13.29,C1(C#N)(CC(N2)(O)C(C(c3ccccc3)C1(C#N)C#N)Br)C2=O,0.0
10099,CO-ADD:0294887,13.29,[N+](=O)([O-])c1cc(OC)cc(c1)N=Nc(cc2)ccc2N(C)C,0.0
10100,CO-ADD:0294473,13.29,c1(c(N)c2c(nc(cc2C(F)(F)F)c3cccs3)s1)S(c4ccccc4)(=O)=O,0.0
10101,CO-ADD:0292816,13.29,c1([nH]c(c2n1)cccc2)c3[nH]c(c4n3)cccc4,0.0
10102,CO-ADD:0295575,13.29,[N+](=O)([O-])c1ccc(c(SCC(OC)=O)c1)C#N,0.0
10103,CO-ADD:0295800,13.29,c1(SCC(=O)Nc(ccc(c2Cl)F)c2)nccn1C,0.0
10104,CO-ADD:0286816,13.29,N(c1ccccc1C#N)(C(=O)C(C23)C(C=C4)OC24CO)C3=O,0.0
10105,CO-ADD:0299442,13.29,S(N)(=O)(=O)c1ccc(cc1)NC(CSc2nnc[nH]2)=O,0.0
10106,CO-ADD:0299282,13.29,C(C(F)(F)F)(C(F)(F)F)(NC(OC)=O)Nc1sc(c2c1C(N)=O)CCC2,0.0
10107,CO-ADD:0299498,13.29,[N+](=O)([O-])c1ccc(cc1)\C=N\Nc2ccccc2Br,0.0
10108,CO-ADD:0299252,13.29,N1(c2ccc(cc2)F)C(=O)C(CC1=O)NCCCCCCC,0.0
10109,CO-ADD:0299316,13.29,C1(C#N)(C#N)C(c2cccc(cccc3)c23)C(C4)C(C(C#N)=C1N)=CCN4Cc5ccccc5,0.0
10110,CO-ADD:0300063,13.29,C(=C\c(cc1OC)cc(c1O)I)(/C(=O)NC(N2C)=O)\C2=O,0.0
10111,CO-ADD:0299904,13.29,S(c1ccccc1)(=O)(=O)N(CC2)CCN2CCNC(=O)C(=O)NCc(cc3)ccc3C,0.0
10112,CO-ADD:0300048,13.29,C(C#N)(C(CC(N1)=O)c2ccc(c(OCC)c2)O)=C1SCC(=O)Nc3ccccc3C,0.0
10113,CO-ADD:0292096,13.29,n(c(c1ccccc1)c2)c3c(c2C(=O)Nc(ccc(c4C)C)c4)cccc3Cl,0.0
10114,CO-ADD:0286325,13.29,c(C(=O)N1CCCC1)(c(cc(OC)cc2)c2n3Cc4ccccc4)c3C,0.0
10115,CO-ADD:0257391,13.28,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5OCc6ccc(cc6Cl)Cl)N(CC)CC,0.0
10116,CO-ADD:0259762,13.28,C1(C(F)(F)F)(C(F)(F)F)CN1OCC(N)=O,0.0
10117,CO-ADD:0257633,13.28,N1(c2ccc(cc2)F)C(=O)C3C(C(CCC4)C4=C5C3CCC5)C1=O,0.0
10118,CO-ADD:0283168,13.28,N1(c(cccc2C(F)(F)F)c2)C(=O)c(c3C1=O)ccc(c4ccccc4[N+](=O)[O-])c3,0.0
10119,CO-ADD:0283986,13.28,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4ccc(c5c4)OCO5,0.0
10120,CO-ADD:0284015,13.28,S(=O)(=O)(N(CC)CC)c1c(Br)ccc(c1)C(=O)Nc2nncs2,0.0
10121,CO-ADD:0288924,13.28,n12c(cc(C)n1)c3c(Oc(cc(cn4)Cl)c24)cccc3,0.0
10122,CO-ADD:0285121,13.28,n1(c2cccc(cccc3)c23)c(c4ccccc4)cc5c1CC(C)(C)CC5=O,0.0
10123,CO-ADD:0291424,13.28,S(=O)(=O)(c1ccc(cc1)OCC)N2CCSC2c3ccc(c(Br)c3)OC,0.0
10124,CO-ADD:0286932,13.28,c1([N+](=O)[O-])cc(n(C\C(\C)=N\NC(=O)c2cc(n(C)n2)Cl)n1)C,0.0
10125,CO-ADD:0286453,13.28,c1(scc(c2ccc(cc2)Br)n1)\C(\C#N)=C(\CCC(C3)C)/C3,0.0
10126,CO-ADD:0299629,13.28,c1(NC(N)=S)sc(c2c1C(OCC)=O)CCCC2,0.0
10127,CO-ADD:0299271,13.28,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)NCCNc(cc3)ncc3[N+](=O)[O-],0.0
10128,CO-ADD:0287618,13.27,C1=C(CC(C)(C)CC1=O)NNC(=O)c(cc2)ccc2N(C)C,0.0
10129,CO-ADD:0287626,13.27,C(=O)(N\N=C\c(cc1)ccc1OC)\C=N\O,0.0
10130,CO-ADD:0287915,13.27,c1(NC(CSc2nc(C)cc(n2)C(F)(F)F)=O)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
10131,CO-ADD:0287283,13.27,N(c1c(OC)ccc(C(C)=O)c1)(C(=O)C(C23)C(C=C4)OC24CO)C3=O,0.0
10132,CO-ADD:0291328,13.27,n1(CC=C)c(SCc(ccc(c2[N+](=O)[O-])OC)c2)nnc1c3cccc(Br)c3,0.0
10133,CO-ADD:0285740,13.27,C12=C(c3c(cccc3)CC1(CC)C4CCCCC4)N=C(SCC(OCC)=O)NC2=O,0.0
10134,CO-ADD:0285734,13.27,C(/c(cccc1)c1CC2(C)C)(\N2)=C\C(N)=O,0.0
10135,CO-ADD:0291166,13.27,N1(C)C(C)(O)C(OC1=O)(C)CCC2=C(C)CCCC2(C)C,0.0
10136,CO-ADD:0286715,13.27,n1(c(cc2)ccc2C(OC)=O)nnnc1SCC(=O)NC(C)(C)C,0.0
10137,CO-ADD:0286972,13.27,N12C(c3c(cccc3)CC1(C)C)=Nc(cccc4)c4C2=O,0.0
10138,CO-ADD:0295462,13.27,s1c(C)nnc1SCC(O)=O,0.0
10139,CO-ADD:0295961,13.27,c1(SC(CC)C(=O)Nc(cc2)ccc2OC(F)(F)F)[nH]c(c3n1)cccc3,0.0
10140,CO-ADD:0293498,13.27,c12c(nnc(SCC(=O)Nc3sc(c(CCN4C)c3C(OCC)=O)C4)n1)c5c(cccc5)n2CC=C,0.0
10141,CO-ADD:0294785,13.27,c1(c[nH]nc1C(NCCc(ccc(c2OC)OC)c2)=O)[N+](=O)[O-],0.0
10142,CO-ADD:0295175,13.27,N1(CC(=O)c2ccc(cc2)Cl)c3c(N(C)C1=N)cccc3.Br,0.0
10143,CO-ADD:0293129,13.27,N1(CN2CCc(c3C2)cccc3)c(cccc4)c4\C(=N\c(cc5)ccc5C)\C1=O,0.0
10144,CO-ADD:0293043,13.26,C1(C2c3ccccc3)=C(c4c(cccc4)C1=O)N(C(CC(C)(C)CC5=O)=C25)c6ccc(cc6)C,0.0
10145,CO-ADD:0293035,13.26,C1(C(F)(F)F)(C(F)(F)F)C=C(C)N(C(N)=C1C#N)c2sc(c3c2C#N)CCCC3,0.0
10146,CO-ADD:0293028,13.26,C(NC(C)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C(N)=O)CCCC2,0.0
10147,CO-ADD:0292972,13.26,N(c1ccccc1[N+](=O)[O-])(C(=O)C(C23)C(c4ccccc4O)NC2(C(O)=O)CC(N)=O)C3=O,0.0
10148,CO-ADD:0293905,13.26,[N+](=O)([O-])c1ccccc1NCc(cc2)ccc2OC,0.0
10149,CO-ADD:0293922,13.26,n1(Cc2ccccc2)c(CCc3ccccc3)nnc1S,0.0
10150,CO-ADD:0286177,13.26,c1(cc(oc1C)C)C(=O)Nc(cc2)ccc2C(O)=O,0.0
10151,CO-ADD:0286249,13.26,N1(NC(=O)c2ccc(cc2Cl)Cl)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
10152,CO-ADD:0291273,13.26,C1(CC(C2C(O)=O)C=C1)C2C(OCC#C)=O,0.0
10153,CO-ADD:0291313,13.26,c12c(c3c(cccc3)n1C)nc(cccc4)c4n2,0.0
10154,CO-ADD:0291501,13.26,c1(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Oc(ccc(c45)CCC4)c5)cc6[N+](=O)[O-])c6)c1Cl,0.0
10155,CO-ADD:0291611,13.26,S(=O)(=O)(c1ccc(cc1)C)Oc(c(Br)c2)c(Br)cc2C(=S)N(CC3)CCO3,0.0
10156,CO-ADD:0291495,13.26,c1(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3nc(C(=O)NCc(cccn4)c4)c1Cl,0.0
10157,CO-ADD:0291832,13.26,C(/c1c(N2Cc3ccccc3)cccc1)(\C2=O)=C(\SC(N4NC(=O)c5ccccc5C)=S)/C4=O,0.0
10158,CO-ADD:0288081,13.26,c1(NC(CSc2ccccc2)=O)sc(cc1C(OCC)=O)CC,0.0
10159,CO-ADD:0288782,13.26,C12(OCCC(C1)NS(=O)(=O)c3ccccc3F)CCN(CC2)C(c(c4)oc([N+](=O)[O-])c4)=O,0.0
10160,CO-ADD:0288942,13.26,n12c(c3c(Oc(cc4S(=O)(=O)N5CCCC5)c1nc4)cccc3)cc(CN6CCCCC6)n2,0.0
10161,CO-ADD:0288783,13.25,C1(CC(CC2)NS(=O)(=O)c3ccc(OC)cc3)(O2)CCN(CC1)C(c(c4)oc([N+](=O)[O-])c4)=O,0.0
10162,CO-ADD:0289116,13.25,c(c(c1)NC(=O)c2nnc(s2)C(N3CCC(C(=O)OCC)CC3)=O)cc(F)c1,0.0
10163,CO-ADD:0278539,13.25,[nH]1c(C)cc(C)c1C=O,0.0
10164,CO-ADD:0260020,13.25,c1(ccccc1O)C(NCCOc2ccccc2F)=O,0.0
10165,CO-ADD:0284356,13.25,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)NC(C)CC)c1Br,0.0
10166,CO-ADD:0284549,13.25,c1(C(O)c2ccccc2OC)n(CC)c3c(cccc3)n1,0.0
10167,CO-ADD:0291100,13.25,S1(=O)(=O)c(cccc2)c2C(N(CC3)CCN3CC(C)O)=N1,0.0
10168,CO-ADD:0291499,13.25,c1(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3nc(C(NCCOC)=O)c1Cl,0.0
10169,CO-ADD:0291864,13.25,C1(C)(CCC(C(=O)OCC(=O)c2ccc(cc2)Br)C1(C)C)C(=O)OCC(=O)c3ccc(cc3)Br,0.0
10170,CO-ADD:0287354,13.25,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(c3ccccc3)N=C4N1C(=O)CS4,0.0
10171,CO-ADD:0287936,13.25,n(\N=C\c(ccc(c1)N(CC)CC)c1OCc(cc2)ccc2Cl)(c3)cnn3,0.0
10172,CO-ADD:0287616,13.25,c1(s2)c(c(cc(COC)n1)C)c(c2C#N)N,0.0
10173,CO-ADD:0287008,13.25,C(=S)(Nc1ccccc1)Nc2ccccn2,0.0
10174,CO-ADD:0286961,13.25,S(c1ccccc1)(=O)(=O)N2CCC(CC2)C(=O)N\N=C\c3ccco3,0.0
10175,CO-ADD:0289118,13.25,c1([nH]c(cc1C)C)C(=O)N(CCCC2C(O)=O)C2,0.0
10176,CO-ADD:0290503,13.25,C1(C#N)(C#N)C(c2cccc(O)c2)C(C3)C(C(C#N)=C1N)=CCN3C,0.0
10177,CO-ADD:0286987,13.24,S(=O)(=O)(N\C(=N/OCC(OCC)=O)\Nc1nc(C)cc(C)n1)c2[nH]ncn2,0.0
10178,CO-ADD:0286808,13.24,C(=O)(c1ccc(cc1)Cl)Nc2ccc(c(C)c2C)O,0.0
10179,CO-ADD:0296140,13.24,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCO4,0.0
10180,CO-ADD:0296103,13.24,c1(nonc1N)\C(=N\O)\N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-],0.0
10181,CO-ADD:0295668,13.24,C(C(=O)c1ccc(cc1)C)(C2c(cc3)ccc3C(C)C)=C(O)C(N2Cc(cccn4)c4)=O,0.0
10182,CO-ADD:0292826,13.24,C(C(=O)c1ccc(cc1)OC)(C2c(cccn3)c3)=C(O)C(N2c4ccccn4)=O,0.0
10183,CO-ADD:0292398,13.24,n12c(S\C(=C/c(ccc3c4ccc(cc4)F)o3)\C1=O)nc(cc(Br)cn5)c25,0.0
10184,CO-ADD:0292477,13.24,C(F)(F)(F)c1ccccc1NC(=O)CN(CC2)CCN2C.Cl,0.0
10185,CO-ADD:0293002,13.24,C(=O)(N(CC1)CCN1C(=O)c2ccco2)C(F)(F)F,0.0
10186,CO-ADD:0293155,13.24,C1(\N=C(\c2c(N3CN(CC4)CCN4c5ccccc5)cccc2)/C3=O)=C(C)N(N(c6ccccc6)C1=O)C,0.0
10188,CO-ADD:0295672,13.23,c1(NC(COc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OC,0.0
10189,CO-ADD:0295648,13.23,c12c(c3c(CCCC3)s1)c(nc(c4ccc(cc4)F)n2)O,0.0
10190,CO-ADD:0295181,13.23,c1([N+](=O)[O-])ncn(C)c1Oc2ccccc2,0.0
10191,CO-ADD:0289132,13.23,S(C)(=O)(=O)N(CCC12CC(CCO1)CC(O)=O)CC2,0.0
10192,CO-ADD:0288792,13.23,c(cc1)cc(c2nnc(C)cn2)c1C,0.0
10193,CO-ADD:0285315,13.23,n1(nnc(C(=O)OC(C)C)c1CN(CC2)CCO2)c3nonc3N,0.0
10194,CO-ADD:0288637,13.23,C(=O)(OC(C)(C)C)N(CCC(C1)CCn2c(C3CC3)ncc2C)C1,0.0
10195,CO-ADD:0288648,13.23,C(OC(C)(C)C)(=O)N(CCC1Cn2c(COC)ncc2C)CC1,0.0
10196,CO-ADD:0288641,13.23,c1(ccccc1)Cn2c(C3CC3)ncc2C,0.0
10197,CO-ADD:0291529,13.23,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)Cc(cc4)ccc4F)(C)C)=C1c(cccc5OCC)c35,0.0
10198,CO-ADD:0291897,13.23,N1(CCC(CC1)C)C(=O)\C=C/c2ccccc2,0.0
10199,CO-ADD:0291842,13.23,N(C(=O)NN=C1SCc(cccc2Oc3ccccc3)c2)C1=S,0.0
10200,CO-ADD:0292170,13.23,c1(NC(=O)c2c(C)onc2c3ccccc3Cl)sc(c4c1C(OCC)=O)CCCC4,0.0
10201,CO-ADD:0285880,13.23,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(c(F)c3)OC)\N2CCCO.Br,0.0
10202,CO-ADD:0291468,13.23,N(CC1)(CCO1)C(=O)COc2cccc(Cl)c2,0.0
10203,CO-ADD:0289155,13.23,C(O)(=O)C(c1ccccc1)c2ccc(cc2)Cl,0.0
10204,CO-ADD:0300076,13.23,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc2c3ccccc3F)o2,0.0
10205,CO-ADD:0299837,13.22,N1(c2ccccc2OC)C(=O)NC(\C(=C/c3ccc[nH]3)\C1=O)=O,0.0
10206,CO-ADD:0300037,13.22,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(N)=O)C1c2ccc(cc2)Cl,0.0
10207,CO-ADD:0286551,13.22,N1(c2cccc(OC)c2)C(=O)C(CCc(cc3)ccn3)(CCc(cc4)ccn4)C(NC1=O)=O,0.0
10208,CO-ADD:0286855,13.22,C(=C\c1ccccc1OCc(cc2)ccc2F)(/C(=O)NC(N3)=O)\C3=O,0.0
10209,CO-ADD:0259997,13.22,n1(cc(cn1)Br)C(=O)c2cc(F)c(cc2Cl)F,0.0
10210,CO-ADD:0283477,13.22,c1(c(cccc1)CCN2)C2CN.Cl.Cl,0.0
10211,CO-ADD:0259237,13.22,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2ccc(cc2)F,0.0
10212,CO-ADD:0259643,13.22,C(/C#N)(=C/c1ccccc1)\C(=O)Nc2cccc(C)c2C,0.0
10213,CO-ADD:0258998,13.22,N1\C(=N\N=C\c(cc2)ccc2Cl)\SCC1=O,0.0
10214,CO-ADD:0289156,13.22,C(O)(=O)C(C)(CCO1)CC1,0.0
10215,CO-ADD:0287624,13.22,c1(sc2c(ccc(OCC)c2)n1)SC(c3ccc(cc3)Br)Nc4nccc(Cl)c4,0.0
10216,CO-ADD:0287244,13.22,C(=N\c(cc1)ccc1OC)(/SC(C(NCCc(cc2)ccc2S(N)(=O)=O)=O)CC3=O)\N3C,0.0
10217,CO-ADD:0287916,13.22,C1(C#N)(C#N)[C@@H](c2cccc(Cl)c2)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C(C)(C)C,0.0
10218,CO-ADD:0285452,13.22,C1(C(O)c2ccccc2)\C(=N\O)\CC(NC1(C)C)(C)C.Cl,0.0
10219,CO-ADD:0289195,13.22,[nH]1c(c2ccccc2)nnc1C(CCCN3)C3.Cl,0.0
10220,CO-ADD:0290598,13.22,c12c(nnc(SC(CC)C(=O)N(c3c4cccc3)c5c(S4)cccc5)n1)c(c6n2C)cc(cc6)Br,0.0
10221,CO-ADD:0288936,13.22,n12c(cc(C)n1)c3c(Oc(cc(C(OC)=O)cn4)c24)ccc(C)c3,0.0
10222,CO-ADD:0289000,13.22,C1(=NCC2)N2c3c(Oc4c1ccc(c45)cccc5)cc(cn3)C(OC)=O,0.0
10223,CO-ADD:0291924,13.22,C(/Sc(c12)ccc(OC)c1)(\N2CC)=C(/SC(N3)=S)\C3=O,0.0
10224,CO-ADD:0292036,13.22,c1(NC(=O)Nc(cc2)ccc2Cl)nnc(CSCc3ccccc3)s1,0.0
10225,CO-ADD:0291948,13.21,[N+](=O)([O-])c1ccc(cc1)CC(=O)NCC2CCCO2,0.0
10226,CO-ADD:0292033,13.21,c1(nnc(COc(cc2)ccc2C(C)(C)C)s1)NC(=O)C(C)(C)C,0.0
10227,CO-ADD:0292461,13.21,C(C(OCC)=O)(C(c1ccccc1)N2)=C(CBr)N(C2=O)C,0.0
10228,CO-ADD:0292513,13.21,N1(Cc2ccccc2)C(=O)c3c(N=C1SCc4ccccc4Cl)cccc3,0.0
10229,CO-ADD:0292536,13.21,N1(CC)C(=O)CCN(C)c(cccc2)c12.Cl,0.0
10230,CO-ADD:0292407,13.21,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(c(cccc4)c4n5CC(O)=O)c5)\C1=O,0.0
10231,CO-ADD:0293690,13.21,C(C#N)(C1=O)=C(c(cc2)ccc2[N+](=O)[O-])N=C([S-])N1.[K+],0.0
10232,CO-ADD:0295950,13.21,c1(NC(C)(C)C)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
10233,CO-ADD:0292331,13.21,N1(CNc2cccc(c(ccn3)C)c23)C(=O)C(C4C1=O)C(CC45)C=C5,0.0
10234,CO-ADD:0293983,13.2,N1(CC(=O)Nc(cc2)ccc2OC)C(=O)c3c(C(C)=N1)cccc3,0.0
10235,CO-ADD:0294463,13.2,c1(NC(CSc2c(cc(c3n2)CCCC3)C#N)=O)c(Br)cc(cc1Br)Br,0.0
10236,CO-ADD:0293825,13.2,n12c(S\C(=C/c3sccc3C)\C1=O)nnc2c4ccccc4,0.0
10237,CO-ADD:0293411,13.2,n1(c(cc(C)cc2C)c2n3)c3S\C(=C\c4cccc(Cl)c4Cl)\C1=O,0.0
10238,CO-ADD:0293072,13.2,C(C(C)(C)O)#Cc(cc1)ccc1C(NCCCCCCC)=O,0.0
10239,CO-ADD:0285969,13.2,O=C(C[C@@H]1[C@H]2C=NNC(C3=CC=NC=C3)=O)O[C@@H]2C[C@H]1Cl,0.0
10240,CO-ADD:0291565,13.2,C1(=C(C)Oc(c2C1=O)cc(c(CC)c2)O)c3sc(c4n3)cccc4,0.0
10241,CO-ADD:0291573,13.2,n1c(c2ccccc2)csc1\C(\C#N)=C/c(cc3)ccc3N(C)C,0.0
10242,CO-ADD:0299378,13.2,c(C(O)=O)(c1)c2c(nc1c3ccccc3F)ccc(cccc4)c24,0.0
10243,CO-ADD:0291664,13.2,c(C(OCC)=O)([nH]c1c2\C(\CCC1)=N\O)c2C,0.0
10244,CO-ADD:0299343,13.2,c1(cnc(C)n1Cc(cc2)ccc2Cl)[N+](=O)[O-],0.0
10245,CO-ADD:0288787,13.2,c1cc(c2nnc(C)cn2)ccc1,0.0
10246,CO-ADD:0285096,13.2,C1(c2ccccc2)=C(C1C(=O)Nc3cccc(cccc4)c34)c5ccccc5,0.0
10247,CO-ADD:0286480,13.2,c12c(cc(c3c1c(c4ccccc4)cc(n3)c5ccccc5)C)c(c(C)[nH]2)C,0.0
10248,CO-ADD:0286488,13.2,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(CC1=O)NCc3ccco3,0.0
10249,CO-ADD:0286841,13.2,N12C(NC(=O)c(c3c(CCCC3)s4)c14)=C(C(c(cc5)ccc5[N+](=O)[O-])C6=C2CCCC6=O)C#N,0.0
10250,CO-ADD:0286873,13.2,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4C(OC)=O)c2)sc5c(ccc(N)c5)n1,0.0
10251,CO-ADD:0290655,13.2,c1(cc(F)c(cc1Cl)F)C(O)(C#CCO)c2ccc(c(C)c2)C,0.0
10252,CO-ADD:0283562,13.2,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)NC4CCCCC4)c2)[nH]c(c5n1)cccc5,0.0
10253,CO-ADD:0258871,13.2,n(c(Oc(cc1)ccc1I)cc(n2)F)c2N,0.0
10254,CO-ADD:0278941,13.2,c(C1c2ccccc2OC)(c3N)c(NC(C)=C1C(=O)Nc4ccccc4OC)sc3C(c5ccccc5)=O,0.0
10255,CO-ADD:0257887,13.2,S(c1ccccc1)(=O)(=O)N(CC2)CCN2C(c3ccccc3)c4ccccc4,0.0
10256,CO-ADD:0257895,13.2,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N(CC3)CCN3C,0.0
10257,CO-ADD:0257927,13.2,N1(c2ccc(c3c2)OCO3)C(=O)C(C(C(c4c5cccc4)c6c7cccc6)C1=O)C57,0.0
10258,CO-ADD:0259386,13.19,[n+]1(C(C)(C)C)nc(n(C=C)n1)C,0.0
10259,CO-ADD:0259350,13.19,C(/C(C)=NO1)(=C\c(ccc(c2O)OC)c2)\C1=O,0.0
10260,CO-ADD:0284070,13.19,C(C(c1ccccc1)=O)(C(CCC)N2)=C(C)NC2=S,0.0
10261,CO-ADD:0278160,13.19,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)Br)\N2CCC.Br,0.0
10262,CO-ADD:0283592,13.19,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)Nc(cc4)ccc4OC(F)(F)F)c1Br,0.0
10263,CO-ADD:0278352,13.19,N1(c2c(OC)ccc(C(C)=O)c2)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
10264,CO-ADD:0288561,13.19,n1(CC(CCN2)C2)c(C)cnc1C3CC3.Cl.Cl,0.0
10265,CO-ADD:0285467,13.19,n1(CC=C)c(S)nnc1C(CC)CC(C)(C)O,0.0
10266,CO-ADD:0287636,13.19,c12n(ncn1N)c(nn2)SCC(=O)Nc3sc4c(ccc(OC)c4)n3,0.0
10267,CO-ADD:0286748,13.19,c1(C#N)c(N)nc(c2c1c3c(C)cc(cc3C)C)CCCCCC2,0.0
10268,CO-ADD:0291456,13.19,c1(c2ccccc2C(=O)NNC(c3ccccc3)=O)[nH]c(c4n1)cccc4,0.0
10269,CO-ADD:0287966,13.19,c1(NC(=O)CC2c3cc4c(cc3Cl)OCO4)c2ccc(cccc5)c15,0.0
10270,CO-ADD:0291795,13.19,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc4c(ccc(c5Cl)Cl)c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
10271,CO-ADD:0287638,13.19,c12c(nnc(SCC(=O)Nc3cc(on3)C)n1)c(c4n2C(C)C)cccc4,0.0
10272,CO-ADD:0290297,13.19,N12C(S\C(=C\c(ccc(c3OCC)OCc4ccccc4Cl)c3)\C1=O)=NC(C)=C(C(C)=O)C2c5ccc(cc5OC)OC,0.0
10273,CO-ADD:0291650,13.19,c1(Nc(cc2)ccc2I)nc(Cl)nc(NCC(OCC)=O)n1,0.0
10274,CO-ADD:0286596,13.18,C(=C\O)(/C(=O)C1(C)C)\c2c(O1)ccc(C=CC(=O)O3)c23,0.0
10275,CO-ADD:0285246,13.18,C(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3OCC,0.0
10276,CO-ADD:0293203,13.18,c1(c(C)nc2n1ccs2)c3csc(Nc4ccc(cc4C)C)n3.Br,0.0
10277,CO-ADD:0295975,13.18,c1(OC(N)=C(C2\C(\C)=C\c3ccco3)C#N)c2c(n[nH]1)C,0.0
10278,CO-ADD:0293735,13.18,C1(C2=O)C(C(N(CCC3)N13)c4ccc(cc4)OC)C(N2c5ccc(cc5)Br)=O,0.0
10279,CO-ADD:0294360,13.18,c1(sc(c2n1)cccc2)c3cc(ccc3O)NC(=O)c4cc(Br)ccc4Cl,0.0
10280,CO-ADD:0294070,13.18,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2CCCC(O)=O)=O,0.0
10281,CO-ADD:0294384,13.18,c1(C(=O)Nc2ccccc2)c3c(sc1NC(C)=O)CC(C)CC3,0.0
10282,CO-ADD:0295530,13.18,c1(N(CC2)CCO2)nc(Nc(cc3)ccc3OC(F)(F)F)nc(Nc4scc(c5ccccc5)n4)n1,0.0
10283,CO-ADD:0294443,13.18,C(C(=O)OC(C)CC)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4ccc(c(Cl)c4)Cl,0.0
10284,CO-ADD:0295253,13.18,[N+](=O)([O-])c1ccc(cc1NC2CC2)N3CCCC3,0.0
10285,CO-ADD:0295730,13.18,c1(NC(=O)c2c(NCCc3ccccc3)ccc(c2)[N+](=O)[O-])sc(c4c1C(OCC)=O)CCCC4,0.0
10286,CO-ADD:0294511,13.18,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(=O)N(CC)CC)c3ccccc3,0.0
10287,CO-ADD:0295905,13.18,C(C#N)(C1c2ccc(cc2)OC(c3ccccc3)=O)=C(N)OC(CC(C)(C)CC4=O)=C14,0.0
10288,CO-ADD:0299346,13.18,c1(nc(c2n1CC(=O)Nc(ccc(c34)OCCO3)c4)cccc2)c5nonc5N,0.0
10289,CO-ADD:0286251,13.18,c1(sccn1)NC(CCC(OCC(C)C)=O)=O,0.0
10290,CO-ADD:0291673,13.17,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CBr,0.0
10291,CO-ADD:0288528,13.17,c1(c(cccn2)c2)ncc(C)n1CC(CCCN3)C3.Cl.Cl.Cl,0.0
10292,CO-ADD:0288638,13.17,C(=O)(OC(C)(C)C)N(C1)CCC(C1)CCn2c(C)ncc2C,0.0
10293,CO-ADD:0288678,13.17,C(=O)(OC(C)(C)C)N1CCCCC1c(n(CCCOC)c2C)nc2,0.0
10294,CO-ADD:0291901,13.17,C(C(=O)c1ccc(cc1)C)(C2c3ccccc3Cl)=C(O)C(N2CCCCCC)=O,0.0
10295,CO-ADD:0291854,13.17,N1(CC=C)C(=O)\C(\SC1=S)=C/C=C(\C=C2)/c(cccc3)c3N2CC,0.0
10296,CO-ADD:0285804,13.17,c1(ccc(C=O)o1)c2cccc(Cl)c2C,0.0
10297,CO-ADD:0285836,13.17,C(=N/c(cc1)ccc1F)(/SC(C(O)=O)CC2=O)\N2CCc(ccc(c3OC)OC)c3,0.0
10298,CO-ADD:0285629,13.17,C(C#N)(C1c2ccc(cc2)Cl)=C(N)N(C(CC(C)(C)CC3=O)=C13)Cc4ccccc4,0.0
10299,CO-ADD:0300096,13.17,N1(Cc2ccco2)C(=O)\C(\SC1=S)=C(/c3c(N4)ccc(c3)[N+](=O)[O-])\C4=O,0.0
10300,CO-ADD:0258112,13.17,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4cccc(C)c4)\N2,0.0
10301,CO-ADD:0257609,13.17,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc(c5OC)OCc6ccccc6C#N)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
10302,CO-ADD:0257361,13.16,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(Br)ccc5OC,0.0
10303,CO-ADD:0257309,13.16,C(/C(C)=NN1c2ccccc2)(=C/c(c(OC)ccc3[N+](=O)[O-])c3)\C1=O,0.0
10304,CO-ADD:0257621,13.16,N12C(S\C(=C\c3ccccc3O)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
10305,CO-ADD:0259843,13.16,c1(cc(ccc1NC(CC)=O)C(O)=O)NC(CC)=O,0.0
10306,CO-ADD:0292008,13.16,n1(c2ccc(cc2)Cl)c(C)c(cc1C)\C=N/OCc3ccccc3,0.0
10307,CO-ADD:0291024,13.16,S(=O)(=O)(c1ccc(c(C)c1)Cl)N(CC2)CCO2,0.0
10308,CO-ADD:0290365,13.16,C(=O)(c1c2cccc1)OC(=N2)COc(ccc(c3C)C)c3,0.0
10309,CO-ADD:0287326,13.16,N1(C(CCC2CCCCC2)=O)C(C)CC(c(cccc3)c13)Nc4ccccc4,0.0
10310,CO-ADD:0287646,13.16,S(c1ccccc1)(=O)(=O)N2CCC(C(CCCC3)C23)([H])O,0.0
10311,CO-ADD:0287678,13.16,N12C(S\C(=C\c3ccc(c(cccc4)c34)OC)\C1=O)=NC(C)=C(C(C)=O)C2c5ccccc5OC,0.0
10312,CO-ADD:0287951,13.16,n1(c(cc2)ccc2C(N)=O)nnnc1SCC(OCC)=O,0.0
10313,CO-ADD:0287632,13.16,N1(Cc2ccccc2P(c3ccccc3)(c4ccccc4)=O)C(=O)c(c5C1=O)cccc5,0.0
10314,CO-ADD:0284974,13.16,C12=C(CC(c3ccc(cc3)Cl)CC1=O)NC(=C(C#N)C2c4cc5c(cc4Br)OCO5)C,0.0
10315,CO-ADD:0299576,13.16,c1(cc(Cl)ccc1N(CC2)CCN2C(=O)c3ccc(cc3)C)[N+](=O)[O-],0.0
10316,CO-ADD:0290458,13.16,c1(C(OCC)=O)c(C)c(sc1N)c2ccccc2,0.0
10317,CO-ADD:0286775,13.16,C(C#N)(C1c2ccc(cc2)F)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(Br)c4,0.0
10318,CO-ADD:0293624,13.16,C1(O)(C(F)(F)F)NC(SCC(N)=O)=C(C(c2ccccc2Cl)C1C(=O)c3cccs3)C#N,0.0
10319,CO-ADD:0295130,13.16,c1(c2ccccc2)nc(oc1c3ccccc3)SCC(=O)Nc4nnc(CC)s4,0.0
10320,CO-ADD:0294311,13.16,c1(ccc(c2)Cl)c2nccc1Nc3ccccc3OCC,0.0
10321,CO-ADD:0295212,13.16,c1(C(c2ccccc2)=O)sc3c(c(COC)cc(C)n3)c1NC(=O)c4ccco4,0.0
10322,CO-ADD:0294279,13.16,c1(SCc2n(C)c3c(cccc3)n2)nc(c4n1c5ccccc5)cccc4,0.0
10323,CO-ADD:0295782,13.16,c1(NC(=O)c2cccnc2Cl)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
10324,CO-ADD:0295870,13.15,C1(C#N)=C(N)OC(=C2C1c3ccc(c(OCC)c3)OC)CCCC2=O,0.0
10325,CO-ADD:0295862,13.15,c(c1C(C)C)(C2c3ccc(c(OC)c3OC)OC)c([nH]n1)OC(N)=C2C#N,0.0
10326,CO-ADD:0293232,13.15,c1(C2C(CC=C2)C(N3)c4ccc(cc4Cl)Cl)c3c(O)cc(Cl)c1[N+](=O)[O-],0.0
10327,CO-ADD:0295728,13.15,C12(CC(CC3C1)CC(C3)C2)C(=O)Nc4cccc(ccc(C)n5)c45,0.0
10328,CO-ADD:0295269,13.15,N(c1cccc(Cl)c1)(C(=O)Nc2c3c4c(s2)CCCC4)C3=O,0.0
10329,CO-ADD:0295429,13.15,c1(ccc(\C=C\C(=O)Nc2c(C)ccc(F)c2)o1)[N+](=O)[O-],0.0
10330,CO-ADD:0288686,13.15,C(N1CCCCC1c(n2Cc3cc(OC)c(OC)cc3)ncc2C)(=O)OC(C)(C)C,0.0
10331,CO-ADD:0288529,13.15,c1(C(CC2)CCO2)ncc(C)n1C(CCCN3)C3.Cl.Cl,0.0
10332,CO-ADD:0285975,13.15,OC[C@@H]1[C@@H](C/2)[C@H](Cl)C[C@H]1C2=N\NC(C3=CC=NC=C3)=O,0.0
10333,CO-ADD:0285638,13.15,S(CCCCCCCC)(CCCl)=O,0.0
10334,CO-ADD:0285654,13.15,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Nc3ccccc3)n1c4ccccc4,0.0
10335,CO-ADD:0285631,13.15,C(C#N)(C1c2ccccc2)=C(N)N(C(CC(C)(C)CC3=O)=C13)Cc4ccccc4,0.0
10336,CO-ADD:0284944,13.15,N1(c2ccc(c3c2)OCO3)C(=O)c4c(cc(cc4)F)C1=O,0.0
10337,CO-ADD:0285274,13.15,c1(C(=O)c(cc2)ccc2C(=O)c3c(N)c(c4s3)ccc(CCCC)n4)c(N)c(c5s1)ccc(CCCC)n5,0.0
10338,CO-ADD:0285298,13.15,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)OC)C3c5ccc(c(OCC)c5)OC(C)=O,0.0
10339,CO-ADD:0288917,13.15,n12c(cc(C)n1)c3c(Oc4c2ccc(c4)[N+](=O)[O-])cccc3,0.0
10340,CO-ADD:0288766,13.15,C12(CCN(CC1)C(c(c3)oc([N+](=O)[O-])c3)=O)CC(CCO2)Cc4nc(CCOC)no4,0.0
10341,CO-ADD:0289049,13.14,n1c(sc(c1C)C(=O)N2CCC(C(C(=O)O)C)CC2)C,0.0
10342,CO-ADD:0300091,13.14,[N+](=O)([O-])c1cc(ccc1Oc(ccc(c23)OC(C=C2C)=O)c3)C#N,0.0
10343,CO-ADD:0299836,13.14,N1(c2ccccc2OC)C(=O)\C(=C\C=C\c3ccco3)\C(NC1=O)=O,0.0
10344,CO-ADD:0284425,13.14,c1(C2c(ccc(c34)OCO3)c4)c(CCN2C(=O)c(cc5)ccc5[N+](=O)[O-])c6c(cccc6)[nH]1,0.0
10345,CO-ADD:0278364,13.14,S(CCCCCCCCCCCC)(=O)(=O)CC(O)c1ccccc1,0.0
10346,CO-ADD:0259840,13.14,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c(cc3)cc(c3OC(=O)C4CC4)OCC,0.0
10347,CO-ADD:0259880,13.14,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2c(cccc4C(F)(F)F)c4)=O,0.0
10348,CO-ADD:0284457,13.14,C(C(c1ccccc1)=O)C(=O)Nc(c(Cl)ccc2C(O)=O)c2,0.0
10349,CO-ADD:0277874,13.14,N1(c2ccc(cc2)Br)C(=O)CC(N(CCCC3C(=O)N(CC)CC)C3)C1=O,0.0
10350,CO-ADD:0283882,13.14,C(=O)(COc1ccccc1CNc(cc2)ccc2OC)N3CCCCC3,0.0
10351,CO-ADD:0259659,13.14,c1(P(c2ccccc2)(c3ccccc3)=O)c(N(CC4)CCO4)oc(c5ccc(cc5)Cl)n1,0.0
10352,CO-ADD:0259723,13.14,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(cc(I)cc4I)c4OCC#C)nc(Nc(cc5)ccc5OC)n1,0.0
10353,CO-ADD:0259007,13.14,C(C(C)=O)(C1c2ccc(cc2)OC)=C(O)C(N1c3ccc(cc3)C)=O,0.0
10354,CO-ADD:0290366,13.14,s1c(C)nnc1SCC(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
10355,CO-ADD:0291102,13.14,C1(\C(=N\c2cc(Cl)cc(Cl)c2)\SS3)=C3C(Nc(ccc(OC)c4)c14)(C)C,0.0
10356,CO-ADD:0287921,13.14,c1(C#N)c(SCC(=O)NC(C)C23CC4CC(CC(C4)C2)C3)nc(cc1C(F)(F)F)c5ccccc5,0.0
10357,CO-ADD:0289289,13.13,n1(C(CCCN2)C2)cnnc1C3CC3,0.0
10358,CO-ADD:0288711,13.13,CC(C)n(c1C)c(CCC2NCCC2)nc1.Cl.Cl,0.0
10359,CO-ADD:0286861,13.13,c1(SCC(=O)c2ccc(cc2)F)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
10360,CO-ADD:0286885,13.13,n1(C)cnnc1SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)NC4CCCCC4)c2,0.0
10361,CO-ADD:0286919,13.13,N(/OC(c1ccccc1)=O)=C(/C)\c2cccs2,0.0
10362,CO-ADD:0291419,13.13,S(=O)(=O)(c1ccc(cc1)OCC)N2CCSC2c3ccccc3,0.0
10363,CO-ADD:0285175,13.13,N1(Cc2c(cccc2Cl)Cl)c(cccc3)c3\C(=N\NC(=O)c4ccccc4OC)\C1=O,0.0
10364,CO-ADD:0291404,13.13,S(=O)(=O)(N(CC1)CCN1c2ccccc2OC)c3c(OC)ccc(Cl)c3,0.0
10365,CO-ADD:0290532,13.13,[n+]1(cnn(CC(=O)Nc2nncs2)c1)[N-][N+](=O)[O-],0.0
10366,CO-ADD:0290740,13.13,S(=O)(=O)(Oc1cccc(cccn2)c12)c3cc(C)c(cc3Cl)Cl,0.0
10367,CO-ADD:0294483,13.13,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)S\C(=N/C)\Nc(cc3)ccc3OC(Cl)(F)F.CC(=O)O,0.0
10368,CO-ADD:0292442,13.12,c12c(C(N(C)C(=O)N1C)=O)n(c(N(C)C)n2)CC(c3ccccc3)=O,0.0
10369,CO-ADD:0294508,13.12,N(C1c(cc2)ccc2C(C)C)(C(=O)C(=C1C(c3ccccc3)=O)O)c4sc(c5n4)cccc5,0.0
10370,CO-ADD:0295004,13.12,n1c(cccc2)c2c3c(CCC3)c1S,0.0
10371,CO-ADD:0296142,13.12,n1(c2c(cn1)ccc(c2)[N+](=O)[O-])c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
10372,CO-ADD:0295822,13.12,N1C(=O)CC(Nc(cc2)ccc2OC)C1=O,0.0
10373,CO-ADD:0294929,13.12,n1(ncc(C#N)c1N)c2nc(SC)nc(oc(COC(C)(C)C3)c34)c24,0.0
10374,CO-ADD:0293790,13.12,C12=C(CC(c(ccc(c34)OCO3)c4)CC1=O)Nc(c5NC2c6ccc(cc6)SC)cccc5,0.0
10375,CO-ADD:0296011,13.12,C1(C2)(CC(CC(OC)=C1)(CN2CCBr)[N+](=O)[O-])[N+](=O)[O-],0.0
10376,CO-ADD:0293009,13.12,C1(=S)NC(NN1c2ccccc2)(C)CCc3ccccc3,0.0
10377,CO-ADD:0292997,13.12,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2C)c3ccccc3Cl,0.0
10378,CO-ADD:0295846,13.12,C(N)(=O)C(CC1)CCN1CCC(=O)OC(C)(C)C,0.0
10379,CO-ADD:0291711,13.12,c1(no[n+]2[O-])c2c(nnc1c3ccc(cc3)Cl)c4ccc(cc4)Cl,0.0
10380,CO-ADD:0299381,13.12,c1(n(C)c2c(cccc2)n1)c3nonc3NC(=O)c4ccccc4F,0.0
10381,CO-ADD:0289161,13.12,C(O)(=O)C(C)C1CCCCC1,0.0
10382,CO-ADD:0287761,13.12,C1(CC2)(CCN2C(OCC)=O)C3=C(CCCC3=O)OC(N)=C1C#N,0.0
10383,CO-ADD:0288001,13.12,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c(cccn5)c5)cccc4,0.0
10384,CO-ADD:0291386,13.12,N1=C(c2c(cccc2)C(=O)N1)CC(=O)Nc3ccccn3,0.0
10385,CO-ADD:0288683,13.12,C(=O)(OC(C)(C)C)N(CCC1c(n(CCCOC)c2C)nc2)CC1,0.0
10386,CO-ADD:0286206,13.11,C(=S)(N(CC1)CCN1C(OCC)=O)NC(=O)c2ccco2,0.0
10387,CO-ADD:0287993,13.11,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(C)s4)cc(c(C)c3)C,0.0
10388,CO-ADD:0257203,13.11,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cccc4C(F)(F)F)c4,0.0
10389,CO-ADD:0257227,13.11,C(=C\c(ccc1c(ccc(c2Cl)Cl)c2)o1)(/C(=O)OC(O3)(C)C)\C3=O,0.0
10390,CO-ADD:0257851,13.11,c1(cc(Cl)ccc1NC(=O)C2CC=CCC2C(O)=O)C(c3ccccc3)=O,0.0
10391,CO-ADD:0257196,13.11,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
10392,CO-ADD:0257276,13.11,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc4cccc(C)n4,0.0
10393,CO-ADD:0283337,13.11,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c3cccc(C)c3)NC(c4ccccc4)=O,0.0
10394,CO-ADD:0259385,13.11,[n+]1(C(C)(C)C)cn(nn1)c2ccccc2,0.0
10395,CO-ADD:0283583,13.11,[N+](=O)([O-])c1cc(cc2c1C=Cc3c(ccc(cccc4)c34)O2)[N+](=O)[O-],0.0
10396,CO-ADD:0259853,13.11,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c3ccccc3)\N2Cc(ccc(c45)OCO4)c5)N(CC6)CCO6.Br,0.0
10397,CO-ADD:0258456,13.11,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(c4c3)OCO4)c5sc(c6c5C(OC)=O)CCCCC6,0.0
10398,CO-ADD:0260122,13.11,S(=O)(=O)(N(CC)CC)c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3F)\N2CCc(cc4)ccc4OC.Br,0.0
10399,CO-ADD:0258407,13.11,c1(nnc(Cc(cc2)ccc2Cl)s1)NC(C(C)C)=O,0.0
10400,CO-ADD:0290799,13.11,C(Cc1ccccc1F)([N+]([O-])=NOC)[N+]([O-])=NOC,0.0
10401,CO-ADD:0291023,13.11,S(=O)(=O)(NCc1ccccn1)c2c(OC)ccc(Br)c2,0.0
10402,CO-ADD:0286949,13.11,c1(c(C)nn(c2ccccc2)c1O)C(c3ccccn3)c4c(C)nn(c5ccccc5)c4O,0.0
10403,CO-ADD:0290289,13.11,N12C(S\C(=C\c3ccccc3OC)\C1=O)=NC(C)=C(C(C)=O)C2c4ccc(cc4OC)OC,0.0
10404,CO-ADD:0291067,13.11,S(=O)(=O)(c1c(C)ccc(c1)[N+](=O)[O-])N2CCCCC2C,0.0
10405,CO-ADD:0291115,13.11,C1(\C(=N\c(cc2)ccc2S(=O)(=O)NC(C)=O)\SS3)=C3C(Nc(ccc(OC)c4)c14)(C)C,0.0
10406,CO-ADD:0286525,13.11,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)S\C(\NCc3ccccc3)=N/c(cc4)ccc4Cl,0.0
10407,CO-ADD:0286913,13.11,c12c(nnc(SC(CC)C(=O)Nc(cc3)ccc3OC(F)(F)F)n1)c(c4n2C)cc(cc4)Br,0.0
10408,CO-ADD:0286866,13.11,N1(CN(C)Cc2ccccc2)C(=O)C=CC(O)=N1,0.0
10409,CO-ADD:0286506,13.1,S(=O)(=O)(N(CCc1c2c3c([nH]1)cccc3)C2)c4ccccc4[N+](=O)[O-],0.0
10410,CO-ADD:0286108,13.1,C1(=NC2=O)C(=Cc(cccc3)c3N1c4cc(C)ccc4C)C(N2C)=O,0.0
10411,CO-ADD:0299964,13.1,c1(\C(\CC2)=C\c3cccs3)c2c(c4cccs4)c(c(SCc(cc5)ccc5C#N)n1)C#N.CC(=O)O,0.0
10412,CO-ADD:0290669,13.1,P(O)(=O)(C=C1c2ccccc2)Oc(c13)cc(c(Cl)c3)Br,0.0
10413,CO-ADD:0291877,13.1,C1([N+](=O)[O-])=C(Nc(cc2)ccc2C(C)=O)c3c(cccc3)OC1=O,0.0
10414,CO-ADD:0299962,13.1,c1(\C(\CC2)=C\c3cccs3)c2c(c4cccs4)c(c(SCc(cc5)ccc5Cl)n1)C#N.CC(=O)O,0.0
10415,CO-ADD:0286979,13.1,C(=O)(O1)OC(C1(C)CCC2=C(C)CCCC2(C)C)=C,0.0
10416,CO-ADD:0299385,13.1,c(c1c2ccccc2)(C3c4cccc(Br)c4)c([nH]n1)OC(N)=C3C#N,0.0
10417,CO-ADD:0295673,13.1,C(C(OCCOc1ccccc1)=O)(C(c(ccs2)c2)N3)=C(C)N(C3=O)C,0.0
10418,CO-ADD:0295627,13.1,c1(C2c3cccc(O)c3)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
10419,CO-ADD:0293672,13.1,c1(NC(=O)c2ccc(cc2)C)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
10420,CO-ADD:0293590,13.1,C1(=CC2=O)C(c3c(cccc3)N1Cc4ccccc4)=NN2c5ccc(cc5)F,0.0
10421,CO-ADD:0295273,13.1,s1cccc1CNCc2cccs2.Cl,0.0
10422,CO-ADD:0295910,13.1,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c(cc3OC)cc(c3OC(C)=O)OC,0.0
10423,CO-ADD:0296088,13.1,c(nn(c12)c(C)cc(C)n1)(S(=O)(=O)NCc(cc3)ccc3Cl)n2,0.0
10424,CO-ADD:0293234,13.09,c1(C2C(CC=C2)C(N3)C(C)C)c3c(O)cc(Cl)c1[N+](=O)[O-],0.0
10425,CO-ADD:0295947,13.09,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)C(OCC)=O)cccc3C,0.0
10426,CO-ADD:0295931,13.09,c1(C2c3ccc(cc3)OC(=O)N(CC4)CCO4)c([nH]nc1c5ccc(c(OC)c5)OC)OC(N)=C2C#N,0.0
10427,CO-ADD:0293377,13.09,N1(c2ccc(cc2)OC(F)(F)F)C(=O)C(CC1=O)S\C(\NCc(ccc(c34)OCO3)c4)=N\c5ccccc5,0.0
10428,CO-ADD:0289172,13.09,C(=O)(OC(C)(C)C)N1CC\C(\CC1)=C/C(OCC)=O,0.0
10429,CO-ADD:0289031,13.09,C(c1ccccc1)(=O)N(CC2)CCC2(Cc3ccccc3)C(O)=O,0.0
10430,CO-ADD:0288483,13.09,c1(c(cccn2)c2)ncc(C)n1C(CC3)CCN3.Cl.Cl.Cl,0.0
10431,CO-ADD:0288501,13.09,n1(CC(CCCN2)C2)c(C)cnc1C(CC3)CCO3.Cl.Cl,0.0
10432,CO-ADD:0291418,13.09,C(/c(cc(OCC)cc1)c12)(\C(=S)C(N2C(C(C)CC)=O)(C)C)=C(/S3)\SC(=C3C(OC)=O)C(OC)=O,0.0
10433,CO-ADD:0286175,13.09,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)SCCN.Cl,0.0
10434,CO-ADD:0286231,13.09,n1(C)cnnc1SCC(=O)N2CCCc(cccc3)c23,0.0
10435,CO-ADD:0291355,13.09,C12(Nc(cccc3)c3C(=O)N1c(cccc4C(F)(F)F)c4)c5c(N(Cc6c(cccc6Cl)Cl)C2=O)cccc5,0.0
10436,CO-ADD:0286184,13.09,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)NC(=O)\C=C\c4ccccc4)n1,0.0
10437,CO-ADD:0284958,13.09,N1(CN(C)c2ccccc2)N=C(OC1=S)c3ccccc3,0.0
10438,CO-ADD:0286183,13.09,n1c[nH]nc1SCC(=O)N2CCCCC2,0.0
10439,CO-ADD:0290906,13.08,c1(c2ccco2)nnc(SCC(=O)Nc3ccccc3OCC)o1,0.0
10440,CO-ADD:0291003,13.08,c1(SCc2[nH]c(c3n2)cccc3)[nH]c4c(ccc(Br)c4)n1,0.0
10441,CO-ADD:0285741,13.08,C(/c1c(N2)cccc1)(=N/NS(=O)(=O)c3ccc(cc3)CC)\C2=O,0.0
10442,CO-ADD:0285117,13.08,N(C(c1ccccc1)=O)C(c2ccc(cc2)OCc3cccc(cccc4)c34)NC(c5ccccc5)=O,0.0
10443,CO-ADD:0285086,13.08,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3OC)OCC#N)c3,0.0
10444,CO-ADD:0259550,13.08,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2)ccc2N(CC)CC,0.0
10445,CO-ADD:0283322,13.07,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(=C\c(cc3)ccc3OCc4ccccc4)\C(N(c5ccccc5)C1=S)=O,0.0
10446,CO-ADD:0258100,13.07,C1(C(=O)\C=C\c(cc2)ccc2OC)CC1,0.0
10447,CO-ADD:0259877,13.07,C(C(OCC)=O)(C(c1ccc(c(OC)c1)O)N2)=C(c3ccccc3)N(C2=O)C,0.0
10448,CO-ADD:0258433,13.07,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c3cc(OC)ccc3OC)\N2,0.0
10449,CO-ADD:0259703,13.07,C(=N\c1ccccc1C)(/SC(C2=O)CC(=O)Nc3ccccc3C)\N2C,0.0
10450,CO-ADD:0259330,13.07,c1(C(OCC)=O)c2c(oc1CN(CC3)CCN3c4ccccc4C)ccc(OC)c2,0.0
10451,CO-ADD:0260162,13.07,N1(c2ccccc2)CC(CC1=O)C(=O)Nc(ccc(c3C(F)(F)F)Cl)c3,0.0
10452,CO-ADD:0278222,13.07,c1(c(NC(C)=O)n2)c(c3c(cccc3)OC1=O)nc2c4ccc(cc4Cl)Cl,0.0
10453,CO-ADD:0259654,13.07,c1(C#N)nc(oc1N(CC2)CCO2)C,0.0
10454,CO-ADD:0258425,13.07,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)S1)=C\c(cc3OC)cc(c3OC(C)=O)OC,0.0
10455,CO-ADD:0299965,13.07,c1(C#N)c(c2ccco2)cc(nc1SCC(c3ccccc3)=O)C4CC4,0.0
10456,CO-ADD:0286614,13.07,c1(C2c(cc3)ccc3[N+](=O)[O-])c(CCN2C(=O)c4ccc(cc4)OC)c5c(cccc5)[nH]1,0.0
10457,CO-ADD:0286759,13.07,C1(O)(CC(=NN1C(=O)Cc(cc2)ccc2C)CCCC)C(F)(F)F,0.0
10458,CO-ADD:0290877,13.07,c1(C(=O)c2ccc(cc2)C)oc(c3c1CC)ccc4c3OC(=O)C=C4C,0.0
10459,CO-ADD:0287219,13.07,n1(c2ccccc2)c(SCCN(CC3)CCN3c4ccc(cc4[N+](=O)[O-])C(F)(F)F)nnc1c5ccccc5,0.0
10460,CO-ADD:0286664,13.07,N(c1cccc(cccc2)c12)(C3=O)C(SCC(=O)Nc(cc4)ccc4F)=Nc5c3c6c(s5)CCCC6,0.0
10461,CO-ADD:0286591,13.07,c1(\N=C/c2cccs2)sc(c3c1C(=O)NCc4ccccc4)CCCC3,0.0
10462,CO-ADD:0285635,13.06,c1(N)ncc(cn1)[N+](C)(C)C,0.0
10463,CO-ADD:0287733,13.06,c1(OC(N)=C(C2c3ccccc3O)C#N)c2c(n[nH]1)CCC,0.0
10464,CO-ADD:0299496,13.06,N1(c2ccc(c(Cl)c2)C)C(=O)C=CC(=O)N1,0.0
10465,CO-ADD:0291253,13.06,C(/NC(=O)c(ccs1)c1)(=C\c2cccs2)\C(=O)Nc3ccccc3OC,0.0
10466,CO-ADD:0293848,13.06,[N+](=O)([O-])Nc1c(cccn1)C,0.0
10467,CO-ADD:0292885,13.06,c([N+](=O)[O-])(c(C)nn1CC(=O)Nc2ccc(c(OC)c2)OC)c1C,0.0
10468,CO-ADD:0294488,13.06,N(c1ccc(cc1)C)(C(c(ccc(c23)OCO2)c3)C=C4Nc(cc5)ccc5C)C4=O,0.0
10469,CO-ADD:0294590,13.06,c1(CCCOc2ccccc2)c(C)n[nH]c1O,0.0
10470,CO-ADD:0294582,13.06,c1(NC(=O)C23CC4CC(CC(C4)C2)C3)sc(c(CCN5C(OCC)=O)c1C(OCC)=O)C5,0.0
10471,CO-ADD:0292496,13.06,N1(CN2CCC(CC2)C)c3c(\C(=N\c(cc4)ccc4OC)\C1=O)cc(Br)cc3,0.0
10472,CO-ADD:0295871,13.06,C1(C#N)=C(N)OC(=C2C1c3cc(OCO4)c4cc3[N+](=O)[O-])CCCC2=O,0.0
10473,CO-ADD:0292312,13.06,n12c(nc(C)cc1O)nnc2c3ccccc3C,0.0
10474,CO-ADD:0293369,13.06,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5ccccc5C(F)(F)F)cccc4,0.0
10475,CO-ADD:0294944,13.05,C(/C(=O)NN1c2ccccc2)(\C1=O)=C(/c3c(N4)ccc(Br)c3)\C4=O,0.0
10476,CO-ADD:0294459,13.05,c1(nnc(c(cccc2[N+](=O)[O-])c2)n1C)S(N)(=O)=O,0.0
10477,CO-ADD:0294027,13.05,N1(CCCC1=O)C(CCCCC(=O)N2CCCC2=O)=O,0.0
10478,CO-ADD:0292058,13.05,C(/SC(N1Cc2ccccc2)=S)(\C1=O)=C(\Sc(c34)cccc3)/N4CC,0.0
10479,CO-ADD:0291978,13.05,C(=O)(Nc(cc1)ccc1C(NCCCN(CC2)CCO2)=O)c(ccc(c3Cl)OCC)c3,0.0
10480,CO-ADD:0289255,13.05,n1(Cc2ccccc2)cnnc1C(CCCN3)C3.Cl,0.0
10481,CO-ADD:0288480,13.05,n1(CC(CCCN2)C2)c(C)cnc1C3CC3.Cl.Cl,0.0
10482,CO-ADD:0289310,13.05,n1c(CCN)noc1c(cc2)ccn2.Cl,0.0
10483,CO-ADD:0285614,13.05,C12(NN=C(c3ccc(cc3)C)S1)C(=O)Nc(ccc(CC)c4)c24,0.0
10484,CO-ADD:0285854,13.05,C1(C(=S)SS2)=C2C(Nc3c1cc(C)cc3C)(C)C,0.0
10485,CO-ADD:0285808,13.05,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc(c2OC)OCc3c(cccc3Cl)F)c2,0.0
10486,CO-ADD:0285824,13.05,C1(C(c2ccccc2)Oc(c(c3)N1)ccc3[N+](=O)[O-])(C=C4C(C)(C)C)C=C(C4=O)C(C)(C)C,0.0
10487,CO-ADD:0285672,13.05,[N+](=O)([O-])c(cc(N)cc1Sc2ccccc2)c1,0.0
10488,CO-ADD:0284953,13.05,S1(=O)(=O)c(cccc2)c2C(N(C)CC(COc(cc3)ccc3OC)OC(=O)c4ccc(cc4)OC)=N1,0.0
10489,CO-ADD:0285743,13.05,C(C(c1ccccc1)=O)(C2c3ccccc3[N+](=O)[O-])=C(Nc4ccccc4)C(N2c5ccccc5)=O,0.0
10490,CO-ADD:0285728,13.05,N1(CC(=O)Nc(cc2)ccc2OC(F)(F)F)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
10491,CO-ADD:0285072,13.05,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(cc3)ccc3OCC(C)C)\N2,0.0
10492,CO-ADD:0285120,13.05,n1(c2c(nc1SCC(OCC)=O)cccc2)C(=O)OCC(C)C,0.0
10493,CO-ADD:0290790,13.04,N1(c2ccccc2)C(=O)c3c(N=C1Sc4ccc(cc4[N+](=O)[O-])C(F)(F)F)cccc3,0.0
10494,CO-ADD:0290902,13.04,n1(Cc2ccccc2)c(COc3ccccc3C)nnc1SCCC(O)=O,0.0
10495,CO-ADD:0259034,13.04,[n+]1(ccccc1)CC(Br)C(OCC)=O,0.0
10496,CO-ADD:0259879,13.04,C(C(=O)c1ccc(cc1)Br)(C2c3ccccc3)=C(O)C(N2c4ccccn4)=O,0.0
10497,CO-ADD:0283788,13.04,n12c(ccc(cccc3)c13)nnc2c4cccc(I)c4,0.0
10498,CO-ADD:0259002,13.04,[N+](=O)([O-])c1c(\C=N\N=C(/SCC2=O)\N2)cc(c3c1)OCO3,0.0
10499,CO-ADD:0258113,13.04,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4cccc(C)c4)c3)\N2,0.0
10500,CO-ADD:0258980,13.04,[N+](=O)([O-])c1ccccc1c2ccc(\C=N\NC(=O)c(cc3)ccc3[N+](=O)[O-])o2,0.0
10501,CO-ADD:0258973,13.04,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cccc5[N+](=O)[O-])c5,0.0
10502,CO-ADD:0259696,13.04,N(CC1)(CCN1c2ccccc2OC)C(=O)\C=C\c(cc3)ccc3OC,0.0
10503,CO-ADD:0258058,13.04,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)NCc(cc3)ccc3S(N)(=O)=O,0.0
10504,CO-ADD:0291348,13.04,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)N(CC4)CCN4c(cc5)ccc5[N+](=O)[O-])cccc3,0.0
10505,CO-ADD:0288019,13.04,S(=O)(=O)(CC(OC)=O)c1cc(cc([N+](=O)[O-])c1C#N)[N+](=O)[O-],0.0
10506,CO-ADD:0290359,13.04,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Cl)=NNC2C(OCC)=O,0.0
10507,CO-ADD:0290338,13.04,c1(cc(Cl)ccc1NC(CSCc2ccc(cc2Cl)Cl)=O)C(O)=O,0.0
10508,CO-ADD:0286322,13.04,C1(C2c3ccc(cc3)OCC(N)=O)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
10509,CO-ADD:0299250,13.03,N1(c2ccccc2F)C(=O)C(CC1=O)Nc(cc3)ccc3OCC,0.0
10510,CO-ADD:0299450,13.03,c1(c(NCCCN(CC2)CCO2)ccc(c1)[N+](=O)[O-])C(F)(F)F,0.0
10511,CO-ADD:0299500,13.03,[N+](=O)([O-])c1ccc(cc1)\C=N\Nc2cccc(Cl)c2C,0.0
10512,CO-ADD:0299560,13.03,C(=O)(CN(CC1)CCO1)N\N=C\c(ccc(c23)OCO2)c3,0.0
10513,CO-ADD:0287325,13.03,C(c1c(C2=O)cccc1)(=NC(CCCC3=O)=C3C4c5cc(Br)ccc5O)C24,0.0
10514,CO-ADD:0286364,13.03,c1(NC(=O)c2cnccn2)sc(c3c1C(OC)=O)CC(CC3)C,0.0
10515,CO-ADD:0286421,13.03,c1(cnn2c(cc3)ccc3[N+](=O)[O-])c2cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
10516,CO-ADD:0285574,13.03,c1(scc(c2ccc(cc2)Br)n1)n3c(C)cc(C)n3,0.0
10517,CO-ADD:0285314,13.03,N1(c2ccccc2O)C(C)=NC(C(c3ccccc3)=C1C)=O,0.0
10518,CO-ADD:0285530,13.03,N1(c2ccc(cc2)Br)C(=O)CC(N3CCCC(C)C3)C1=O,0.0
10519,CO-ADD:0295143,13.03,c1(c(OC)ccc(Cl)c1)NC(=O)CN2CCC(CC2)C.Cl,0.0
10520,CO-ADD:0292561,13.03,S(=O)(=O)(N(C)C)N(CC1)CCN1c(cc2)c(Cl)cc2[N+](=O)[O-],0.0
10522,CO-ADD:0295689,13.03,C1(C(c2ccccc2)C(C#N)C(N)=O)=C(O)OC(C)(C)OC1=O,0.0
10523,CO-ADD:0294654,13.03,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(CCN3c4cccc(Cl)c4)c1C3,0.0
10524,CO-ADD:0294905,13.02,c1(OC(N)=C(C2c3cccn3C)C#N)c2c(n[nH]1)C,0.0
10525,CO-ADD:0293738,13.02,C(/C(OCC)=O)(\C(OCC)=O)=C\Nc1[nH]nc(c2cccc(Br)c2)c1,0.0
10526,CO-ADD:0295431,13.02,c1(c2)c(cc(OC)c2NC(=O)c3ccc(Br)o3)c4c(cccc4)o1,0.0
10527,CO-ADD:0295578,13.02,N1(C)c2c(cccc2)Oc(nnc(N3CCC(CC3)Cc4ccccc4)c5)c15,0.0
10528,CO-ADD:0295272,13.02,C1(C#N)C(C)c2c(OC1=O)cccc2,0.0
10529,CO-ADD:0294863,13.02,N1(c2cccc(OC)c2)C(=O)\C(=C\c3c(OC)ccc(cccc4)c34)\C(NC1=S)=O,0.0
10530,CO-ADD:0294835,13.02,n1n(CCC(O)=O)c2c(cccc2)n1,0.0
10531,CO-ADD:0288490,13.02,c1(C2CCCCN2)ncc(C)n1C(C3)CC3.Cl.Cl,0.0
10532,CO-ADD:0299842,13.02,N1(c2ccccc2F)C(=O)NC(\C(=C/c(cc3)ccc3Cl)\C1=O)=O,0.0
10533,CO-ADD:0288862,13.02,C(=O)(OC(C)(C)C)NCC#C,0.0
10534,CO-ADD:0289308,13.02,n1c(OCC)ccc(C2)c1CCN2.Cl,0.0
10535,CO-ADD:0300042,13.02,C(C#N)(C(c1ccc(cc1)C)CC(N2)=O)=C2SC,0.0
10536,CO-ADD:0285265,13.01,c(C(=O)c1ccc(cc1)Cl)(sc(c23)nc(c(C#N)c2C(C)C)N)c3N,0.0
10537,CO-ADD:0284995,13.01,c1(nnc(ccc(N(CC2)CCO2)n3)n13)C(F)(F)C(F)(F)C(F)(F)F,0.0
10538,CO-ADD:0285291,13.01,C1(C2)(CC(CN2C(CC)CO)(CC=C1)[N+](=O)[O-])[N+](=O)[O-],0.0
10539,CO-ADD:0285619,13.01,n1cn[nH]c1SCC(=O)Nc(ccc(c2C)C)c2,0.0
10540,CO-ADD:0291654,13.01,C(=O)(N(CC1)CCO1)c2ccccc2C(c3ccccc3)=O,0.0
10541,CO-ADD:0291751,13.01,C(=O)(c1cccs1)N2CCC(CC2)C,0.0
10542,CO-ADD:0291904,13.01,[N+](=O)([O-])c(cccc1C(=O)N2CCC(CC2)C)c1C,0.0
10543,CO-ADD:0292073,13.01,C(/SC(N1c2ccccc2)=S)(\C1=O)=C(/SC(=C3C)C)\N3CC,0.0
10544,CO-ADD:0290450,13.01,[C@H]12[C@H](O1)[C@@H]([C@@H](CO3)O[C@H]23)OCc4ccccc4,0.0
10545,CO-ADD:0291756,13.01,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(ccc4c(ccc(c5[N+](=O)[O-])Cl)c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
10546,CO-ADD:0290733,13.01,S(=O)(=O)(Oc1cccc(ccc(C)n2)c12)c3c(OCC)ccc(OCC)c3,0.0
10547,CO-ADD:0283356,13.01,c1(C(OCC)=O)c2c(n(C)c1CS(c3ccccc3)(=O)=O)cc(Br)c(O)c2CN(C)C,0.0
10548,CO-ADD:0278884,13.01,S(=O)(=O)(c1c(C)ccc(c1)[N+](=O)[O-])Oc2c(Br)cc(c(cccn3)c23)Br,0.0
10549,CO-ADD:0259889,13.01,N1(C(c2ccc(cc2)Cl)CC(c3ccc(cc3)C)=N1)C(=N)SC(CC(N4c5ccc(cc5)Cl)=O)C4=O,0.0
10550,CO-ADD:0259722,13.01,N(C1)(C=CN(CCc2ccccc2)C1=O)C(C3CCCCC3)=O,0.0
10551,CO-ADD:0259906,13.01,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCCO)=O)N(CC2)CCO2)c1,0.0
10552,CO-ADD:0259922,13.01,C1(C(=O)OCc(ccc(c23)OCO2)c3)=C(C)NC(NC1c4ccc(c(OC)c4)OCC)=O,0.0
10553,CO-ADD:0277732,13.01,C1(O)(NN=C(c2c(cccc2)CC3(C)C)N13)C(F)(F)C(F)(F)C(F)(F)F,0.0
10554,CO-ADD:0257867,13.01,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc4c5c(OC)ccc(c5)[N+](=O)[O-])o4)\C1=O,0.0
10555,CO-ADD:0277387,13.0,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3)\N2C5CCCCC5,0.0
10556,CO-ADD:0257598,13.0,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4OCC)OCc5ccccc5C#N)c4)\C1=O,0.0
10557,CO-ADD:0283107,13.0,C(C(OC)=O)(C1c2ccc(cc2)F)=C(C)NC(CC(c3ccccc3)CC4=O)=C14,0.0
10558,CO-ADD:0277772,13.0,n1(c2ccc(cc2)Br)c(c3ccccc3)c(cc1c4ccccc4)\C=N\NC(c5ccccc5)=O,0.0
10559,CO-ADD:0299320,13.0,c1(OC(N)=C(C2c3ccc(c(OC)c3)OC)C#N)c2c(n[nH]1)C,0.0
10560,CO-ADD:0299520,13.0,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cc(OC)ccc5OC)cccc4,0.0
10561,CO-ADD:0291261,13.0,c1(OC(N)=C(C2c3ccc(c(OCC)c3)OC)C#N)c2c(n[nH]1)COC,0.0
10562,CO-ADD:0299473,13.0,[N+](=O)([O-])c1c(Cl)ccc(c1)N\N=C\c(c(O)ccc2[N+](=O)[O-])c2,0.0
10563,CO-ADD:0299513,13.0,n1c(O)cc(nc1SCC(=O)Nc2ccccc2F)C,0.0
10564,CO-ADD:0299747,13.0,c1(Sc2ccc(cc2[N+](=O)[O-])C(O)=O)nnnn1c3ccccc3,0.0
10565,CO-ADD:0291131,13.0,N1(c2ccc(cc2)Br)C(C)(C)Nc(c3C1=O)cccc3,0.0
10566,CO-ADD:0285798,13.0,n1(C2CCCCC2)c(S)nnc1c(cc3OC)cc(c3OC)OC,0.0
10567,CO-ADD:0285358,13.0,n(c(cc(n1)OC)NC(CCCC(OCC2CCCO2)=O)=O)c1OC,0.0
10568,CO-ADD:0286455,13.0,C(C#N)(C(c1ccc(cc1)Cl)C2C(OC)=O)=C(SCC(=O)Nc(cc3)ccc3Br)NC2=O,0.0
10569,CO-ADD:0285406,13.0,C(C(C)=O)(C1c2cccc(F)c2)=C(O)C(N1c3ccc(cc3)O)=O,0.0
10570,CO-ADD:0293948,12.99,C1(O)(CC(=O)c2ccco2)c3c(N(CC=C)C1=O)cccc3,0.0
10571,CO-ADD:0294920,12.99,n(c1OCCCl)c(OC)nc(OC)n1,0.0
10572,CO-ADD:0295764,12.99,C(=O)(c1ccc(cc1)N)N2CCCC2,0.0
10573,CO-ADD:0292661,12.99,c1(Nc2ccccc2)sc(cc1C(C)=O)C(=O)CC(OCC)=O,0.0
10574,CO-ADD:0294559,12.99,C1(C(=O)\C=C\c2ccccc2)=C(c3ccccc3)c4c(cccc4)NC1=O,0.0
10575,CO-ADD:0295592,12.99,n1(c2ccc(cc2)C)c3c(cn1)ccc(c3)[N+](=O)[O-],0.0
10576,CO-ADD:0294352,12.99,c([N+](=O)[O-])(c(OC)c(OC)c(c1[N+](=O)[O-])OC)c1C(OC)=O,0.0
10577,CO-ADD:0295051,12.99,n1(c2ccc(c3c2)OCO3)nnnc1SCc4ccc(cc4Cl)F,0.0
10578,CO-ADD:0293694,12.99,S(C)(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NCc(cc2)ccn2,0.0
10579,CO-ADD:0295080,12.99,N1([C@H]2c3ccc(cc3)C)N(CCC1)[C@H]([C@@H]2C#N)C#N,0.0
10580,CO-ADD:0292414,12.99,C(=C/c(cc1)ccc1N(CC2)CCO2)(/C(=O)NN3c(cc4)ccc4C(OCC)=O)\C3=O,0.0
10581,CO-ADD:0294378,12.99,c1(oc(c2n1)ccc(c2)NC(=O)c3cc(c4o3)cccc4)c5cc(Br)ccc5Cl,0.0
10582,CO-ADD:0299827,12.99,C(=C/c1cc(OC)ccc1OC)(/C(=O)NC(N2C)=O)\C2=O,0.0
10583,CO-ADD:0299899,12.99,c1(cnn(CC#C)n1)[N+](=O)[O-],0.0
10584,CO-ADD:0285480,12.99,C1(C)(C)C(CCC1(C)C(O)=O)C(=O)Nc2cccc(Cl)c2,0.0
10585,CO-ADD:0285994,12.99,O[C@@H]1C[C@H]2[C@H](CC(O)OC2)[C@@H]1C=NNC(C3=CC=NC=C3)=O,0.0
10586,CO-ADD:0284987,12.99,C(=N/c1cccc(Cl)c1)(/SC=C2c3ccc(cc3)F)\N2CCCO.Br,0.0
10587,CO-ADD:0285299,12.99,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)OC)C3c5cc(OC)ccc5OC,0.0
10588,CO-ADD:0285652,12.99,c1(ccc(c2c1N)non2)[N+](=O)[O-],0.0
10589,CO-ADD:0285655,12.99,c12c(nnc(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n1)c4c(cccc4)n2CC=C,0.0
10590,CO-ADD:0291814,12.99,N1(CC1(C)C)S(=O)(=O)c2ccc(cc2)C,0.0
10591,CO-ADD:0286290,12.98,c1(NC(COC(CSc2nc(C)cc(C)n2)=O)=O)n(c3ccccc3)ncc1C(OCC)=O,0.0
10592,CO-ADD:0292006,12.98,N12C(S\C(=C\c(ccc3c4c(Cl)ccc(c4)[N+](=O)[O-])o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5c(OC)ccc(cccc6)c56,0.0
10593,CO-ADD:0285171,12.98,C12(c3c(cccc3)C(=NN1c4ccccc4)c(cc5)ccc5C(C)(C)C)SC(=NN2c6ccccc6)c(cc7)ccc7[N+](=O)[O-],0.0
10594,CO-ADD:0291778,12.98,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc(n4c5ccc(cc5)C)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
10595,CO-ADD:0285183,12.98,C(=N\NC(=S)Nc(cc1)ccc1C)(/C2=O)\c3c(N2)ccc(C)c3Br,0.0
10596,CO-ADD:0290708,12.98,c1(S(CCC)(=O)=O)c2n(c(C(=O)c3ccc(cc3)C)c1S(CCC)(=O)=O)cccc2N,0.0
10597,CO-ADD:0257189,12.98,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(=O)c3c(C)cc(c(F)c3)F)F,0.0
10598,CO-ADD:0257670,12.98,S1(=O)(=O)c(cccc2)c2C(NCCOC(=O)c3ccccc3OC)=N1,0.0
10599,CO-ADD:0257710,12.98,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3ccccc3OC,0.0
10600,CO-ADD:0259147,12.98,[N+](=O)([O-])c(ccc(c1NC(=O)C(Cc(c2c([nH]3)cccc2)c3)NC(=O)Oc4ccccc4)C)c1,0.0
10601,CO-ADD:0259279,12.98,S(=O)(=O)(c1ccc(cc1)F)N2CCC(CC2)C(OCC)=O,0.0
10602,CO-ADD:0257654,12.98,N1(c2c(C)cc(cc2C)C)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
10603,CO-ADD:0284210,12.98,C1(C2Cl)C(CC2Sc3ccccc3[N+](=O)[O-])C(c4ccc(cc4)Cl)Nc(ccc(c5)[N+](=O)[O-])c15,0.0
10604,CO-ADD:0259273,12.98,n1c(c2ccc(cc2)Cl)csc1\C(\C#N)=C\c3sccc3C,0.0
10605,CO-ADD:0284581,12.98,S(=O)(=O)(N(CC1)CCO1)c(c(OC)cc(c2C(=O)Nc3ccccc3)OC)c2,0.0
10606,CO-ADD:0278634,12.98,C1(C(OCCOC(C)C)=O)=C(C)NC(NC1c2ccccc2OCc3ccccc3)=O,0.0
10607,CO-ADD:0257301,12.98,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(cc3)ccc3Cl)\N2,0.0
10608,CO-ADD:0290387,12.98,S(=O)(=O)(c1ccc(cc1)CC)N2CCC(CC2)C(OCC)=O,0.0
10609,CO-ADD:0290534,12.98,s1c(\C=N\c(ccc(c2F)C)c2)ccc1Br,0.0
10610,CO-ADD:0287455,12.98,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Nc(cc3)ccc3Br)n1c4ccc(cc4)Br,0.0
10611,CO-ADD:0287556,12.98,c1(SCC)nc(c2n1Cc3ccccc3)cccc2,0.0
10612,CO-ADD:0287819,12.98,c1(C#N)c(c2ccccc2)cc(nc1SCCN(CC3)CCO3)c4cccs4,0.0
10613,CO-ADD:0287516,12.98,n1(c2c(nc1SCC(=O)N(CC)CC)cccc2)C(=O)OCC(C)C,0.0
10614,CO-ADD:0286540,12.98,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OCC)OCc5ccccc5F)c4)\C1=O,0.0
10615,CO-ADD:0299604,12.98,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c5cccs5,0.0
10616,CO-ADD:0299757,12.98,c1(ccccc1N)C(NCCc2ccccc2)=O,0.0
10617,CO-ADD:0286086,12.98,C1(C2c3ccc(cc3)F)=C(NCCN=C1c4ccccc4)C(N2c5ccccc5)=O,0.0
10618,CO-ADD:0286166,12.97,N1(c2ccc(cc2)OC)C(c3ccc(c(OC)c3)OCc4c(cccc4Cl)Cl)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
10619,CO-ADD:0300006,12.97,n12c(S\C(=C/c(cc3)ccc3O)\C1=O)nc(cc(Br)cn4)c24,0.0
10620,CO-ADD:0285058,12.97,N1(c2ccc(cc2C)C)C(=O)C(CC1=O)S\C(\NCc(cc3)ccc3OC)=N\c(cc4)ccc4Cl,0.0
10621,CO-ADD:0291558,12.97,N1(C(C)=O)C(c(cccc2[N+](=O)[O-])c2)C(C(OC)=O)=C(NC1=O)C,0.0
10622,CO-ADD:0286498,12.97,c1(cnn(C)c1C(=O)Nc(cc2)ccc2I)[N+](=O)[O-],0.0
10624,CO-ADD:0294492,12.97,C(C(c1ccccc1)=O)(C2c3ccc(cc3)F)=C(O)C(N2CCOC)=O,0.0
10625,CO-ADD:0292698,12.97,N1(c2ccc(cc2)Br)C(=O)CC(N(Cc(ccc(c34)OCO3)c4)C(=O)c5ccc(cc5)Cl)C1=O,0.0
10626,CO-ADD:0293154,12.97,C1(SCC(=O)N1c2ccc(c(Cl)c2)C)(c3c(N4CN5CCCCC5)cccc3)C4=O,0.0
10627,CO-ADD:0295096,12.97,c1(cc(ccc1Oc(cc2)c(OC)cc2C(=O)Nc(c3)c(ccc3C(F)(F)F)OC4CCCCC4)C(F)(F)F)[N+](=O)[O-],0.0
10628,CO-ADD:0296124,12.97,n1(c2ccccc2)c(S)nnc1c(cc3)ccn3,0.0
10629,CO-ADD:0296153,12.97,c1(NC(C)=O)nonc1C(O)=O,0.0
10630,CO-ADD:0292399,12.97,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(ccc(c4OC)OCc5ccccc5F)c4)\C1=O,0.0
10631,CO-ADD:0295196,12.97,n12c(ncc(c3ccccc3)n1)nc(c4ccccc4)c2c5ccccc5,0.0
10632,CO-ADD:0292266,12.97,n12c(S\C(=C/c(ccc(c3OC)OC)c3OC)\C1=O)nc(c4ccccc4)c2c5ccccc5,0.0
10633,CO-ADD:0292258,12.97,c1(N(CC2)CCN2C(=O)CSc3nnc(C)s3)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
10634,CO-ADD:0295115,12.97,C(=O)(NC(=O)Nc1ccccc1C(F)(F)F)c2c(C)cc(nc2Cl)Cl,0.0
10635,CO-ADD:0288813,12.97,C(CCCl)C(=O)NCC#C,0.0
10636,CO-ADD:0288664,12.97,C(=O)(OC(C)(C)C)N(CCC1c(n(c2C)C3CC3)nc2)CC1,0.0
10637,CO-ADD:0289062,12.97,c(C(=O)N(CCCC1C(O)=O)C1)(nnc2C(=O)Nc3ccccc3)s2,0.0
10638,CO-ADD:0290644,12.97,N(=Nc(cc1)ccc1C(OC)=O)N2CCCCCC2,0.0
10639,CO-ADD:0287310,12.96,c1(sc(cn1)Cc2cc(Cl)ccc2Cl)NC(C)=O,0.0
10640,CO-ADD:0286693,12.96,N1(Cc2ccccc2)C(=O)CSC1c(cc3)ccc3C(NCCOc(cc4)ccc4CC)=O,0.0
10641,CO-ADD:0286306,12.96,S(=O)(=O)(c1ccc(cc1)Br)NC2(OC)C(C)=CC(C=C2C)=O,0.0
10642,CO-ADD:0286442,12.96,C(=C/c(ccc1c2cc(C)c(cc2[N+](=O)[O-])C)o1)(/C(=O)NC(N3)=O)\C3=O,0.0
10643,CO-ADD:0286859,12.96,c1(N(CC2)CCN2C(=O)c(cc3)ccc3C(C)(C)C)sc(c4n1)cccc4,0.0
10644,CO-ADD:0292020,12.96,C(COc1ccccc1)(NN2)=NN=C2COc3ccccc3,0.0
10645,CO-ADD:0291797,12.96,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc(n4c5ccc(c(C)c5)I)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
10646,CO-ADD:0285611,12.96,C(CCc(cc1)ccn1)(Cc2cccc(cccc3)c23)(C(=O)N(C)C(N4C)=O)C4=O,0.0
10647,CO-ADD:0285224,12.96,s1c(N)nnc1SCC(=O)N(C)C,0.0
10648,CO-ADD:0292028,12.96,s1c(C(C)(C)C)nnc1NC(CC(C)C)=O,0.0
10649,CO-ADD:0287702,12.96,[N+](=O)([O-])c(cc1)ccc1N(CCCC2C(=O)N(CC)CC)C2,0.0
10650,CO-ADD:0292022,12.96,C1(C(OC(O2)(C)C)C2OC3C(=O)Oc(cc4)ccc4[N+](=O)[O-])C3OC(C)(C)O1,0.0
10651,CO-ADD:0291926,12.96,c1(NC(=O)c2ccccc2[N+](=O)[O-])sc(c3c1C(OC)=O)CCCC3,0.0
10652,CO-ADD:0292038,12.95,c1(nnc(CCCCCC)s1)NC(=O)c2ccc(cc2)F,0.0
10653,CO-ADD:0259855,12.95,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3F)\N2CCCO)N(CC4)CCO4.Br,0.0
10654,CO-ADD:0257591,12.95,S(C)(=O)(=O)N(c1ccc(cc1)C)CC(=O)N(CC2)CCN2c3ccccc3OC,0.0
10655,CO-ADD:0257919,12.95,C1(SCC(C(O)=O)N1)c2cccc(Cl)c2Cl,0.0
10656,CO-ADD:0259664,12.95,C12=C(SC(Cc(cccc3)c34)C4S1)SC(=O)S2,0.0
10657,CO-ADD:0259019,12.95,[n+]1(ccc(cc1)C(c2ccccc2)=O)C(=C)c3ccccc3.[Br-],0.0
10658,CO-ADD:0284384,12.95,C(F)(F)(F)c(ccc(c1\N=C\c2cccc(Cl)c2O)Oc3ccccc3Cc4ccccc4)c1,0.0
10659,CO-ADD:0284933,12.95,C(=C/c(ccc(c1OC)OCc2ccccc2Cl)c1)(/C3=O)\C(c4ccccc4)=NO3,0.0
10660,CO-ADD:0284920,12.95,C(C(OCC)=O)(C(F)(F)F)(NC(OCC)=O)Nc1sc(c2c1C(N)=O)CCCC2,0.0
10661,CO-ADD:0283969,12.95,C(C(=O)OCc(cc1)ccc1OC)(C2c(cc3)ccc3C(OC)=O)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
10662,CO-ADD:0287492,12.95,[N+](=O)([O-])c(c(C)c(SCc1ccccc1)cc2[N+](=O)[O-])c2,0.0
10663,CO-ADD:0286190,12.95,C(C#N)(C(CC(N1)=O)c2ccc(C)o2)=C1SCC=C,0.0
10664,CO-ADD:0287446,12.95,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)S\C(\NC)=N/c(ccc(c3C(F)(F)F)Cl)c3,0.0
10665,CO-ADD:0291193,12.95,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)NCc4ccco4,0.0
10666,CO-ADD:0290905,12.95,n1(C)c(SCc2c(cccc2[N+](=O)[O-])Cl)nnc1Cc3ccccc3,0.0
10667,CO-ADD:0290926,12.95,c1(cc(oc1C)C)C(=O)Nc(ccc(c23)OCCO2)c3,0.0
10668,CO-ADD:0299767,12.95,C1(N(C)C(=O)COc(ccc(c23)cccc2)c3)=C(C)N(N(c4ccccc4)C1=O)C,0.0
10669,CO-ADD:0286904,12.95,C1(c(cccc2)c2C3(c4ccccc4C)c5ccccc5C)(S3)N(c6ccccc6)N=C(C(OCC)=O)S1,0.0
10670,CO-ADD:0286105,12.95,S(=O)(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc2nccc(C)n2,0.0
10671,CO-ADD:0285562,12.95,c1(C(OCC)=O)c(C)[nH]c(cc(Br)c(O)c2)c12,0.0
10672,CO-ADD:0299537,12.95,c1(Oc(cc2)ccc2F)nc(C)c(c(C)c1C#N)Cl,0.0
10673,CO-ADD:0287578,12.95,N1(c(ccc(c2)Br)c2OC1=O)C(=O)NC3CCCCC3,0.0
10674,CO-ADD:0299235,12.94,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCN3Cc(cc4)ccc4Cl)C1=O,0.0
10675,CO-ADD:0291278,12.94,C(=CC(\C=C\c(ccc1c2ccc(cc2)F)o1)=NC3=O)(C(F)(F)F)N3,0.0
10676,CO-ADD:0294084,12.94,c1(NC(=O)c2cccnc2Cl)sc(c3c1C(OC)=O)CCCCC3,0.0
10677,CO-ADD:0294076,12.94,C(=O)(NC1CCCCCC1)C2CC2,0.0
10678,CO-ADD:0294316,12.94,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(C)s5)cccc4,0.0
10679,CO-ADD:0295959,12.94,C(Nc1cccnc1Cl)(C(F)(F)F)(C(F)(F)F)NC(OCC)=O,0.0
10680,CO-ADD:0293419,12.94,c1(nc(C)cc(C)n1)NC(N(CC)CC)=N,0.0
10681,CO-ADD:0293219,12.94,S(=O)(=O)(c1ccc(c2c1)cccc2)NC(Cc3ccccc3)C(O)=O,0.0
10682,CO-ADD:0294653,12.94,[N+](=O)([O-])N(c1ccc(cc1)OCc2ccccc2)CCc(cc3)ccn3,0.0
10683,CO-ADD:0292279,12.94,N1(c2ccc(cc2)Cl)C(=O)\C(\SC1=S)=C\c3ccc(cc3Cl)Cl,0.0
10684,CO-ADD:0292232,12.94,c(C(=O)OCC(=O)c1ccc(cc1)Br)(cc2c3ccccc3)c4c(n2)ccc(I)c4,0.0
10685,CO-ADD:0295418,12.94,C1(C(F)(F)F)(C(F)(F)F)NC(=O)N(C2=N1)CCS2,0.0
10686,CO-ADD:0296061,12.94,c1(oc(c2n1)cccc2)Sc(c(cccc3)c3c(n4)c5ccc(cc5)Cl)n4,0.0
10687,CO-ADD:0294026,12.94,C(=S)(Nc(cc1)ccc1F)N(Cc2ccccc2)Cc(ccc(c3OC)OC)c3,0.0
10688,CO-ADD:0292872,12.94,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc4ccc(c(OC)c4)OC)n2,0.0
10689,CO-ADD:0295651,12.94,c12c(c3c(CCCC3)s1)c(nc(c4ccc(c(OC)c4)OCc(ccc(c5Cl)Cl)c5)n2)O,0.0
10690,CO-ADD:0293404,12.94,N1=C(Nc(nc2C)nc(c23)cc(c(C)c3)C)NC(C)=C(C)C1=O,0.0
10691,CO-ADD:0289021,12.94,n1c(CCN(C)C(=O)Nc2cccc(C)c2)noc1c(cc3)ccc3C(O)=O,0.0
10692,CO-ADD:0289059,12.94,c1(C(=O)Nc2ccccc2C)sc(nn1)CSCC(O)=O,0.0
10693,CO-ADD:0288630,12.94,C(NC(OC(C)(C)C)=O)Cn(c1C)c(C2CC2)nc1,0.0
10694,CO-ADD:0287601,12.94,N(c1c2cccc1)=C(c3ccc(cc3)CC)CC(N2)c4ccc(cc4)Cl,0.0
10695,CO-ADD:0299847,12.94,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c3cccc(OC)c3)\C1=O)=O,0.0
10696,CO-ADD:0299863,12.94,C(/C(C)=NN1c2ccccc2)(=C/c(cc(OC)c(c3)OC)c3Br)\C1=O,0.0
10697,CO-ADD:0286915,12.94,c12c(nnc(SCCN(CC3)CCO3)n1)c(c4n2C)cc(cc4)Br,0.0
10698,CO-ADD:0286076,12.93,c1(c2ccc(cc2)NC(=O)\C(=C\c3ccccc3)\NC(c4ccccc4)=O)sc5c(ccc(C)c5)n1,0.0
10699,CO-ADD:0291526,12.93,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Oc(ccc(c23)NC(C=C2C)(C)C)c3,0.0
10700,CO-ADD:0300094,12.93,C(/NC(=O)c(cc1)ccc1C(C)(C)C)(=C\c2cccs2)\C(=O)Nc(cc3)ccc3F,0.0
10701,CO-ADD:0300041,12.93,C(C#N)(C(c1ccccc1Cl)C2C(OC)=O)=C(SCc3cccc(cccc4)c34)NC2=O,0.0
10702,CO-ADD:0291974,12.93,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(cc4)F)cccc3,0.0
10703,CO-ADD:0286755,12.93,N1(C(=O)c2cccc(Cl)c2)N=C(CC1(O)C(F)(F)F)C(F)(F)F,0.0
10704,CO-ADD:0291336,12.93,S(c(cccc1)c12)c(cccc3)c3C2c4ccc(cc4)\N=C\c(cc5)ccc5Br,0.0
10705,CO-ADD:0291400,12.93,N1(c2ccc(c(Cl)c2)C)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
10706,CO-ADD:0286197,12.93,c1(O2)c(c([nH]n1)C)C(C(C#N)=C2N)CCc3ccccc3,0.0
10707,CO-ADD:0291411,12.93,N1(c2ccc(cc2)C)C(=O)C(CC1=O)Sc3nnc[nH]3,0.0
10708,CO-ADD:0259665,12.92,C12=C(SC(CCCCCCCCCC3)C3S1)SC(=O)S2,0.0
10709,CO-ADD:0283481,12.92,c1(N)cc(Br)cc(cccn2)c12,0.0
10710,CO-ADD:0258596,12.92,n(c(Oc1cc(C)ccc1C)cc(n2)F)c2N,0.0
10711,CO-ADD:0258644,12.92,N1(C(c(cc2)ccc2[N+](=O)[O-])N(CC1=O)Cc3ccccc3)\N=C(/C)\c4ccccc4,0.0
10712,CO-ADD:0258303,12.92,C1(O)(c2c(N(C)C1=O)cccc2)C3CCc(c4C3=O)ccc(OC)c4,0.0
10713,CO-ADD:0258821,12.92,[C@](C)(CCCC1(C)C)(C1C(O)C[C@@]2(C)OC(C)=O)[C@H]2CC(C)=O,0.0
10714,CO-ADD:0260194,12.92,N1(c2ccccc2C)C(=O)\C(=C\c3cc(Cl)cc(Cl)c3O)\C(NC1=S)=O,0.0
10715,CO-ADD:0259892,12.92,C1(SC\C(\CS2)=C(\C#N)/C#N)=C2SC(=S)S1,0.0
10716,CO-ADD:0291008,12.92,C(=N/NC(=O)c1ccccc1O)(/c2c(N3CC(O)=O)cccc2)\C3=O,0.0
10717,CO-ADD:0291306,12.92,N12C(S\C(=C/c(cc3)ccc3N(C)C)\C1=O)=NN=C(c4ccccc4)C2c5ccccc5,0.0
10718,CO-ADD:0291268,12.92,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(cc4)cc(c4OC(C)C(O)=O)OC)\C1=O,0.0
10719,CO-ADD:0291316,12.92,C1(NC(=S)Nc(cc2)ccc2c3nnc(S)o3)=C(C)N(N(c4ccccc4)C1=O)C,0.0
10720,CO-ADD:0299512,12.92,s1c(c2ccccc2)nnc1NC(CSc3nc(c4ccccc4)cc(C(F)(F)F)c3C#N)=O,0.0
10721,CO-ADD:0285788,12.92,c1(c2c(sc1NC(COc(cc3)ccc3Cl)=O)CCCCC2)C(=O)Nc(cc4)ccc4OC,0.0
10722,CO-ADD:0286109,12.92,c1(c2c(sc1NC(=O)c3ccccc3F)CCC2)C(=O)N(CC4)CCN4C,0.0
10723,CO-ADD:0285334,12.92,N(CC1)(CCN1C(=O)CSc2ccccn2)C(=O)CSc3ccccn3,0.0
10724,CO-ADD:0285607,12.92,N1\C(=N\N=C\c2c(C)cc(c(C)c2)C)\SCC1=O,0.0
10725,CO-ADD:0285047,12.92,S1(=O)(=O)c(cccc2)c2C(N(CCOC(=O)c3ccccc3F)c4ccccc4Cl)=N1,0.0
10726,CO-ADD:0294772,12.92,C(C)(CN1CC2(CN3C1C4CCCC4)C)(C3)C2=O,0.0
10727,CO-ADD:0292762,12.92,C1(=Cc2c(OC1=O)cccc2)C(=O)N3CCSC3c4ccc(cc4)Cl,0.0
10728,CO-ADD:0295183,12.92,C(C(OCC)=O)(C(c(cc1)ccc1[N+](=O)[O-])N2)=C(C)N(C2=O)CCO,0.0
10729,CO-ADD:0296063,12.92,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2CCCOC)=O,0.0
10730,CO-ADD:0293789,12.92,c1(SCc(cc2)ccc2C)[nH]c(c3n1)ccc(OC)c3,0.0
10731,CO-ADD:0294975,12.92,N1(c2ccccc2)\C(=N/c3ccccc3)\S\C(=C\c(cc4OC)cc(c4OC5=N)S5)\C1=O,0.0
10732,CO-ADD:0292606,12.92,N1(c2ccc(cc2)I)C(=O)\C(\C(C)=N1)=C/Nc(c(OC)c3)cc(c3[N+](=O)[O-])Cl,0.0
10733,CO-ADD:0293633,12.91,C(C#N)(C1c2ccccc2Cl)=C(SCC(=O)Nc3ccccc3C)NC(CCCC4=O)=C14,0.0
10734,CO-ADD:0295220,12.91,C(=O)(Nc1ccccc1Cl)Nc2ccccc2Cl,0.0
10735,CO-ADD:0295428,12.91,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc2c(F)cc(cc2Br)F,0.0
10736,CO-ADD:0294462,12.91,N1(c2ccc(cc2)OC(F)(Cl)F)C(=O)CC(N(CC3)CCC3C(OCC)=O)C1=O,0.0
10737,CO-ADD:0295044,12.91,c1(CC(=O)Nc2cccc(Cl)c2)n(C)c3c(cc(cc3)OC)c1Sc4ccccc4,0.0
10738,CO-ADD:0293445,12.91,C1(Nc2nc(ccc(c3)OC)c3c(C)n2)=NC(c4ccccc4)CC(=O)N1,0.0
10739,CO-ADD:0294940,12.91,c1(oc(c2n1)ccc(c2)NC(=O)c3cccc(I)c3)c4cc(Br)ccc4Cl,0.0
10740,CO-ADD:0293794,12.91,C(/SCC1=O)(=N\c2ccccn2)\N1C3CCCCC3,0.0
10741,CO-ADD:0295437,12.91,n1(C(=O)c2cc(Cl)ccc2OC)c(C)c(c(C)n1)Br,0.0
10742,CO-ADD:0293029,12.91,C(NC(CCCC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C(N)=O)CCCC2,0.0
10743,CO-ADD:0312104,12.91,c1(cc(F)c(cc1N(CC2)CCN2C(C)=O)N3CCCC3)[N+](=O)[O-],0.0
10744,CO-ADD:0312269,12.91,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(C)s4,0.0
10745,CO-ADD:0305492,12.91,[N+](=O)([O-])c(cc(NC(=O)c1cccs1)c(c23)C=Cc(cccc4)c4O2)c3,0.0
10746,CO-ADD:0305762,12.91,c1(NC(COc2ccc(cc2Br)Cl)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
10747,CO-ADD:0310885,12.91,S(=O)(=O)(c1ccc(cc1)Br)N(CC2)CCN2c3c(cccc3[N+](=O)[O-])Cl,0.0
10748,CO-ADD:0310854,12.91,c12c(c(ccc1NC3CCCCC3)NN=Nc(cc4)ccc4C)C(c(cccc5)c5C2=O)=O,0.0
10749,CO-ADD:0306152,12.91,C1(C)(C(C)(C)OC2=O)N2CCc(c([nH]3)C)c(c3c(Br)cc4)c14,0.0
10750,CO-ADD:0306089,12.9,N1(CC(C)C)C(=O)c(c2C1=O)ccc(c2)C(=O)Nc3cccc(c3)OC(C)=O,0.0
10751,CO-ADD:0307289,12.9,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c3ccc(cc3F)C(CCC)=O,0.0
10752,CO-ADD:0311071,12.9,C1(C2c3ccc(cc3)OCc(cc4)ccc4F)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC5=O)=C25,0.0
10753,CO-ADD:0311640,12.9,C(=O)(C(O)(c1ccccc1)c2ccccc2)N(Cc3ccccc3)N(C)C,0.0
10754,CO-ADD:0307458,12.9,S(NCC=C)(=O)(=O)Cc1ccccc1Cl,0.0
10755,CO-ADD:0320291,12.9,c1(C2OCCO2)noc(cc(cc3SCC(OC)=O)[N+](=O)[O-])c13,0.0
10756,CO-ADD:0323408,12.9,n1c(c2ccc(cc2)C)nnn1CC(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
10757,CO-ADD:0302570,12.9,C(/S\C(\C1=O)=C\c(cc2Br)cc(c2OCc(cc3)ccc3C)Br)(=N/C(C)=O)\N1,0.0
10758,CO-ADD:0301921,12.9,C(=C\c(ccc(c1OCC)OCCOc2ccccc2)c1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
10759,CO-ADD:0301705,12.9,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(ccc(c3OCC)OCCOc4ccccc4OC)c3)\C1=O)=O,0.0
10760,CO-ADD:0301802,12.9,N(\C(=C\c1ccccc1F)\C(N2)=O)=C2c3ccc(cc3)Br,0.0
10761,CO-ADD:0303837,12.9,n12c(c3c(cc(c(OC)c3)OC)CC14CCCC4)nnc2c5ccco5,0.0
10762,CO-ADD:0302854,12.9,c1(cc(ccc1Sc2ccccc2)C(F)(F)F)[N+](=O)[O-],0.0
10763,CO-ADD:0311717,12.9,C1(=S)NC(NN1C(C)(C)C)(CC2)CCC2C(C)(C)C,0.0
10764,CO-ADD:0310783,12.9,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c(cc3OCC)cc(c3O)Cl,0.0
10765,CO-ADD:0312237,12.89,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cc(OC)c(cc4OC)OC,0.0
10766,CO-ADD:0311873,12.89,C(C)(C)(C(=O)OC(C1(C)C)\C(\Br)=C\c2ccccc2)C1=O,0.0
10767,CO-ADD:0310806,12.89,c1(C2c3ccc(cc3)OCc4ccccc4F)c([nH]nc1c(ccc(c56)OCO5)c6)OC(N)=C2C#N,0.0
10768,CO-ADD:0305574,12.89,N1(C(C)(C)C)C(c(cc2)ccc2[N+](=O)[O-])=NN(c3ccccc3)C1C#C[Si](C)(C)C,0.0
10769,CO-ADD:0301048,12.89,c1(nnc(Cc(cc2)ccc2Cl)s1)NC(=O)C(F)(F)F,0.0
10770,CO-ADD:0301080,12.89,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(OC)c3)C2c4cccs4,0.0
10771,CO-ADD:0301096,12.89,N1(c2ccc(cc2)C)C(N(N=C1C(C)=O)c3ccc(cc3)C)c4c5c([nH]c4)cccc5,0.0
10772,CO-ADD:0300456,12.89,S(=O)(=O)(c(ccc(c1C(=O)Nc(cc2)ccc2[N+](=O)[O-])Cl)c1)Nc3c(OC)cc(c(OC)c3)Cl,0.0
10773,CO-ADD:0301214,12.89,[N+](=O)([O-])c(cccc1C(NCCNCCNCCN)=O)c1,0.0
10774,CO-ADD:0300519,12.89,S(NCCCCC(=O)NCc(cc1)ccc1C(C)C)(c2ccccc2)(=O)=O,0.0
10775,CO-ADD:0304914,12.89,S1(=O)(=O)c2c(ccc(c2)NC(=O)c3ccc(c(OC)c3OC)OC)Cc(ccc(c4)NC(=O)c5ccc(c(OC)c5OC)OC)c14,0.0
10776,CO-ADD:0301183,12.89,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(ccc(c4OC)OCC#N)c4)\C1=O)=NC(C)=C2C(OC)=O,0.0
10777,CO-ADD:0304841,12.89,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(N(CCc3ccccc3)C1=S)CC(=O)Nc(cc4)ccc4C(OC)=O,0.0
10778,CO-ADD:0305210,12.89,N1C(SCC(=O)Nc2sccn2)=Nc(c3C1=O)cccc3,0.0
10779,CO-ADD:0304040,12.89,n1(c(cc2)ccc2C(=O)OCC(=O)c3ccc(cc3)C)cnnn1,0.0
10780,CO-ADD:0303883,12.89,c12c(CCNC1c3ccc(c(OC)c3)OC)cc(c(OC)c2)OC,0.0
10781,CO-ADD:0302761,12.89,n12c(S\C(=C/c(cnn3c4ccc(c(C)c4)C)c3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
10782,CO-ADD:0304131,12.89,c1(OCc2cccc(Cl)c2)c(OCC)cc(cc1I)C=O,0.0
10783,CO-ADD:0302163,12.89,C1(C(=O)OC(C)C)=C(C)NC(=O)CC1c2ccccc2Br,0.0
10784,CO-ADD:0301394,12.89,C1(C(OC)=O)(C(OC)=O)C(C1(CC)C(=O)c2ccc(cc2)C)c3ccccc3,0.0
10785,CO-ADD:0307262,12.88,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)Nc(cc2)ccc2OC,0.0
10786,CO-ADD:0311754,12.88,c1(Nc(cc2)ccc2OC(F)(F)Cl)nc(NCC=C)nc(OCC(F)(F)F)n1,0.0
10787,CO-ADD:0311366,12.88,C(C(OC)=O)(Nc1ccccn1)(NC(C)=O)C(F)(F)F,0.0
10788,CO-ADD:0311092,12.88,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc3cc(OC)c(cc3C(OC)=O)OC,0.0
10789,CO-ADD:0311597,12.88,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)NCc(ccc(c3OC)OC)c3,0.0
10790,CO-ADD:0311617,12.88,N1(Cc2ccccc2)\C(=N\c(cc3)ccc3OC(Cl)(F)F)\SC(C(=O)Nc4ccccc4)CC1=O,0.0
10791,CO-ADD:0311631,12.88,C(c1ccccc1)(CC2)(CCN2CC(=O)Nc3cccc(cccc4)c34)C(OCC)=O,0.0
10792,CO-ADD:0306858,12.88,n1(c(cc2)ccc2C(=O)OCC(=O)c3ccc(cc3C)C)cnnn1.n4(c(cc5)ccc5C(=O)OCC(=O)c6cc(C)ccc6C)cnnn4,0.0
10793,CO-ADD:0311185,12.88,S(=O)(=O)(c1ccc(c2c1)cccc2)N(c3ccccc3)CC(O)CN4CCCCC4,0.0
10794,CO-ADD:0312416,12.88,c1(cc2c(cc1Br)OCO2)C3NCCc(cc(c(OCC)c4)OCC)c34,0.0
10795,CO-ADD:0311326,12.88,S(=O)(=O)(N(CC1)CCN1c2ccccc2)c3ccc(c(Cl)c3OC)Cl,0.0
10796,CO-ADD:0307443,12.88,C1(=O)C(C(O)=O)=C(C)C=C(C)N1c2ccccc2F,0.0
10797,CO-ADD:0303766,12.88,c(C#N)(c(SCC(=O)c1ccc(c2c1)cccc2)nc(c3C#N)N)c3c4cccc(F)c4,0.0
10798,CO-ADD:0303305,12.88,n1(Cc2ccccc2)nnnc1SCc(c(OC)ccc3[N+](=O)[O-])c3,0.0
10799,CO-ADD:0301514,12.88,S(=O)(=O)(Nc(cccc1C(F)(F)F)c1)c2cccc(n[se]n3)c23,0.0
10800,CO-ADD:0304408,12.88,S(=O)(=O)(Nc1cccc(N(C)C)c1)c2c(C)ccc(c2)[N+](=O)[O-],0.0
10801,CO-ADD:0302086,12.87,N1(c(cc2)ccc2C(OCC)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccc(cc4C(O)=O)O,0.0
10802,CO-ADD:0301953,12.87,S1C(C)(CC(=O)Nc2ccccc2)NN=C1c3ccc(cc3)C,0.0
10803,CO-ADD:0307329,12.87,c1(sc(c2n1)cccc2)N(N)C(C3CCCCC3)=O,0.0
10804,CO-ADD:0307166,12.87,c1(N(c2ccccc2)c3ccccc3)nc(Sc4ccccc4)nc(Sc5ccccc5)n1,0.0
10805,CO-ADD:0311827,12.87,C1(C2c(cc(OCC)c(c3[N+](=O)[O-])OC(=O)N(CC4)CCO4)c3)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
10806,CO-ADD:0311835,12.87,c1(N2CCCCC2)nc(OCC(F)(F)F)nc(Nc(cc3)ccc3OC(F)(Cl)F)n1,0.0
10807,CO-ADD:0312167,12.87,C(C1)(Nc(cc2)ccc2OC)=CC(CC1c3ccc(cc3)OC)=O,0.0
10808,CO-ADD:0305641,12.87,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(Cl)c3)C2c4ccccc4OCC,0.0
10809,CO-ADD:0300841,12.87,C(=C/c(ccc(c1Oc2ccccc2)F)c1)(/C3=O)\C(c4ccc(cc4)C)=NO3,0.0
10810,CO-ADD:0300378,12.87,c(c1c(s2)CCC1)(C3=O)c2N=C(SC)N3c4ccccc4,0.0
10811,CO-ADD:0300721,12.87,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)c4ccccc4F,0.0
10812,CO-ADD:0300554,12.87,c1(NC(Cc(cc2)ccc2OC)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OC,0.0
10813,CO-ADD:0304729,12.87,C(=O)(Oc1cc(ccc1OC)C=O)N(CC2)CCO2,0.0
10814,CO-ADD:0302078,12.87,c1(ccc(cc1NC(=O)c2cccc(Br)c2)O)C(O)=O,0.0
10815,CO-ADD:0302071,12.87,c1(cc(Br)ccc1NC(COc2ccccc2Cl)=O)C(O)=O,0.0
10816,CO-ADD:0302134,12.87,C(c1cccc(OC)c1)(O2)=Nc(c3C2=O)ccc(OC(C)=O)c3,0.0
10817,CO-ADD:0304042,12.87,N1(c(cc2)ccc2S(N)(=O)=O)C(=O)C(C(C34)C1=O)C(c5c3cccc5)c6c4cccc6,0.0
10818,CO-ADD:0304047,12.87,[N+](=O)([O-])c(cc(cc1C(=O)N2CCCC2)C(=O)N3CCCC3)c1,0.0
10819,CO-ADD:0301338,12.87,C(CC(C)(C)CC1=O)(Nc(ccc(c2Cl)F)c2)=C1,0.0
10820,CO-ADD:0312328,12.87,N1(CC(=O)c2ccc(cc2)OC)c3c(N(CC)C1=N)cccc3.Br,0.0
10821,CO-ADD:0312364,12.86,c12c([nH]nc1c3ccc(c(OC)c3)OCC)OC(=C(C#N)C24c5c(NC4=O)cccc5)N,0.0
10822,CO-ADD:0310925,12.86,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCN2C(=O)c3cccc(Cl)c3,0.0
10823,CO-ADD:0307258,12.86,c1(Cl)nc(Cl)cc(C)c1C(N)=O,0.0
10824,CO-ADD:0310881,12.86,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3C(=O)c4ccccc4OC)[N+](=O)[O-],0.0
10825,CO-ADD:0307234,12.86,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccccc1OC)Nc2sc(c(c3ccccc3)c2C(OCC)=O)CC,0.0
10826,CO-ADD:0310917,12.86,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C(=O)c(ccc(c4[N+](=O)[O-])OCC)c4,0.0
10827,CO-ADD:0311622,12.86,C(=N/c(cc1)ccc1OC(F)(F)Cl)(/SC(C(=O)Nc(ccc(c2Cl)C)c2)CC3=O)\N3C,0.0
10828,CO-ADD:0307550,12.86,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OC)c4OC)OC,0.0
10829,CO-ADD:0305594,12.86,c1(Oc2cccc(c2)NC(CCC)=O)nc(C)cc(C)c1C#N,0.0
10830,CO-ADD:0312223,12.86,C1(C(OCC)=O)=C(c2ccccc2)N(C(=O)NC1c3ccccc3OC)C,0.0
10831,CO-ADD:0319836,12.86,[N+](=O)([O-])c1c(OC)ccc(c1)C(NCCOCc2ccccc2)=O,0.0
10832,CO-ADD:0301963,12.86,c1(SCC(=O)NC(C)(C)C)nc(cn1Cc2c(C)ccc(cccc3)c23)c(cc4)ccc4[N+](=O)[O-],0.0
10833,CO-ADD:0303699,12.86,C1(C)(C)Oc(c2O1)ccc(c2)NC(=O)c(ccc(c3Cl)Cl)c3,0.0
10834,CO-ADD:0302790,12.86,CCc(n1N)nnc1N\N=C\c(cc2OC)cc(c2O)Cl.Cl.Cl,0.0
10835,CO-ADD:0302132,12.86,N1(CC2CCCO2)C(=O)c(c3C1=O)ccc(c3)C(O4)=Nc(c5C4=O)ccc(Br)c5,0.0
10836,CO-ADD:0302621,12.86,N1(c2ccc(cc2)C)C(\C=C\c(cc3)ccc3O)=Nc(c4C1=O)cccc4,0.0
10837,CO-ADD:0302474,12.86,c1(N\N=C\c2ccc(c(OC)c2C(O)=O)OC)sc(c3n1)cccc3,0.0
10838,CO-ADD:0305586,12.86,c1(c2cccs2)c(c3ccccc3)nc(c(c4)n1)cc(c4C#N)C#N,0.0
10839,CO-ADD:0306066,12.85,N1C(=O)C(C#N)C(C([n+]2ccccc2)C1=O)c3ccc(c(OC)c3)O.[Cl-],0.0
10840,CO-ADD:0306711,12.85,C1(=C(CCCC1=O)OC(=C23)CCCC2=O)C3c4ccc(cc4)SC,0.0
10841,CO-ADD:0306263,12.85,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2ccccc2C,0.0
10842,CO-ADD:0311102,12.85,c12c(cc(nc1NC(CC)=O)C)c3c(OC2=O)cccc3,0.0
10843,CO-ADD:0311077,12.85,n1(c2)c(ccc(CC)c1)cc2c3ccc(cc3)F,0.0
10844,CO-ADD:0300410,12.85,c1(ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Oc(cc2)ccc2C(C)(C)C,0.0
10845,CO-ADD:0305195,12.85,N(C(=O)C=C(N1)N)=C1SCC(=O)Nc(cc2)ccc2C,0.0
10846,CO-ADD:0304680,12.85,C(=O)(Nc(cc1)ccc1C(C)(C)C)C(NCCCOC)=O,0.0
10847,CO-ADD:0304509,12.85,c1(cc(cc(SCc2ccccc2)c1C(=O)NCC(OC)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
10848,CO-ADD:0304639,12.85,c1(N(c2ccccc2)c3ccccc3)nc(OC)nc(OC)n1,0.0
10849,CO-ADD:0300591,12.85,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CCCC4=O)NC(C)=C3C(OCCOCC)=O,0.0
10850,CO-ADD:0303089,12.85,C(=N\c(cc1)ccc1OC)(/SC(C(NCCc(cc2)ccc2S(N)(=O)=O)=O)CC3=O)\N3CC,0.0
10851,CO-ADD:0301356,12.85,n1(c2ccc(cc2)Cl)nnnc1SCC(=O)N3CCCCC3,0.0
10852,CO-ADD:0301762,12.85,C(C(OC)=O)(C1c(ccc(c2[N+](=O)[O-])Cl)c2)=C(C)N(C(C)=C1C(OC)=O)C,0.0
10853,CO-ADD:0301331,12.85,n(\N=C/c(ccc1c(ccc(c2Cl)F)c2)o1)(cnn3)c3,0.0
10854,CO-ADD:0303097,12.85,C12(Nc(cccc3)c3C(=O)N1c4ccccc4)c5c(N(CC=C)C2=O)cccc5,0.0
10855,CO-ADD:0302059,12.85,C(=O)(Nc(cccc1C#N)c1)c2cccs2,0.0
10856,CO-ADD:0307227,12.85,c12c(n(cn1)CC(=O)Nc(cc3)ccc3OC(F)(F)Cl)C(N(C)C(=O)N2C)=O,0.0
10857,CO-ADD:0310843,12.85,S(=O)(=O)(Nc(cc1)ccc1OC)c(ccc(c2O3)N(C3=O)C)c2,0.0
10858,CO-ADD:0306330,12.85,c1(noc(COc(cc2)ccc2Br)n1)c3nonc3N,0.0
10859,CO-ADD:0312538,12.85,[C@H]12O[C@]3([C@@H](C1)C(=O)N(c4ccccc4)C3)[C@H]([C@H]25)C5,0.0
10860,CO-ADD:0312615,12.85,c1ccc2c(n(ccc3)c3C(C4(C5C6=O)OC(C=C4)(C5)c7cccc([N+](=O)[O-])c7)N26)c1,0.0
10861,CO-ADD:0311957,12.85,C(=O)(Nc1ccccc1SC)c2ccccc2O,0.0
10862,CO-ADD:0319131,12.85,c1(N2CCC(CC2)Cc3ccccc3)scc(c4ccc(cc4)Br)n1,0.0
10863,CO-ADD:0323384,12.84,n(c(S)nn1)(C(c2c(cccc2)CC34CCCCC3)=C4C(N5c6cccc(C)c6)=O)c15,0.0
10864,CO-ADD:0323416,12.84,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c(ccc(c4Cl)F)c4)o3,0.0
10865,CO-ADD:0319228,12.84,c1(NC(COc(cc2)cc(c2[N+](=O)[O-])C)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
10866,CO-ADD:0304125,12.84,C(/C#N)(\C(N)=O)=C/c(cc1OCC)cc(c1O)Br,0.0
10867,CO-ADD:0302423,12.84,N1(c2ccccc2Cl)C(CSCC(=O)Nc3ccccc3OC)=Nc(c4C1=O)cccc4,0.0
10868,CO-ADD:0302460,12.84,N1(C2)C(SCC1=O)=NCN2c3ccc(cc3)OCC,0.0
10869,CO-ADD:0302385,12.84,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2I)(C(=O)Nc3ccccc3OC)C1c4ccccc4,0.0
10870,CO-ADD:0303189,12.84,c(c1c2ccccc2)(C3c(cco4)c4)c([nH]n1)OC(N)=C3C#N,0.0
10871,CO-ADD:0304075,12.84,N12C(S\C(=C/c3ccco3)\C1=O)=NCN(c4ccccc4)C2,0.0
10872,CO-ADD:0302130,12.84,N1(C2CCCCC2)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
10873,CO-ADD:0304038,12.84,N1(c2cc(ccc2N(CC3)CCO3)S(=O)(=O)Nc(cc(cc4C(OC)=O)C(OC)=O)c4)C(=O)C(C5C1=O)C(CC56)C=C6,0.0
10874,CO-ADD:0302186,12.84,S(=O)(=O)(c(cccc1C(=O)Nc2sc(c3c2C(OC)=O)CCCC3)c1)N(CC4)CCO4,0.0
10875,CO-ADD:0303919,12.84,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c3cccc(Cl)c3,0.0
10876,CO-ADD:0303970,12.84,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)NCc(cc3)ccc3F,0.0
10877,CO-ADD:0300583,12.83,c1(NC(=O)c2ccc(c(OC)c2)OC)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
10878,CO-ADD:0304650,12.83,n1c(O)cc(nc1SCCOc2ccccc2F)c3ccccc3,0.0
10879,CO-ADD:0304530,12.83,c1(c(C#N)c(SCCBr)nc(C)c1C(=O)Nc2ccccc2OC)c3ccc(C)o3,0.0
10880,CO-ADD:0304898,12.83,n1c(N2CCCCC2)nc(nc1N3CCCCC3)OCC=C,0.0
10881,CO-ADD:0301155,12.83,N1(C(=O)c2ccc(cc2)Br)N=C(CC1(O)C3CCCCC3)C,0.0
10882,CO-ADD:0304910,12.83,N1(c2ccccc2)C(c3cccc(C)n3)Nc(c4C1=O)cccc4,0.0
10883,CO-ADD:0304911,12.83,C1(=O)c2c(cccc2)NC(\C=C\c(cc3)ccc3[N+](=O)[O-])N1c4ccccc4,0.0
10884,CO-ADD:0300363,12.83,C1(=C(CCCC1=O)OC(=C23)CCCC2=O)C3c(cc4OC)cc(c4OC)OC,0.0
10885,CO-ADD:0304999,12.83,n1c(N2CCCCC2)nc(nc1N3CCCCC3)Cl,0.0
10886,CO-ADD:0300576,12.83,c1(C(=O)N(CC2)CCC2(c3ccccc3)C(OCC)=O)c(C)oc(cc(Br)c(OC)c4)c14,0.0
10887,CO-ADD:0300584,12.83,C(C(OCCOC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccccc3Br,0.0
10888,CO-ADD:0301875,12.83,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(=O)OCC5CCCO5,0.0
10889,CO-ADD:0301555,12.83,c1(C#N)c(cccc2)c2n(C)c1CNc3c(OC)ccc(Cl)c3,0.0
10890,CO-ADD:0301351,12.83,c1(NCc2ccc(cc2OC)OC)[nH]c(c3n1)cccc3,0.0
10891,CO-ADD:0301407,12.83,C1(C2c3ccc(cc3)OCC)=C(CCCC1=O)c4c(ccc(cccc5)c45)N2,0.0
10892,CO-ADD:0302877,12.83,c1(ccccc1NC(=O)Cc2ccccc2OC)C(O)=O,0.0
10893,CO-ADD:0303804,12.83,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4ccc(cc4)C,0.0
10894,CO-ADD:0306753,12.83,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3C,0.0
10895,CO-ADD:0306724,12.83,[N+](=O)([O-])c(cc1)ccc1C(=O)CC(c2ccc(cc2)Br)Nc(cc3)ccc3C(OCC)=O.Cl,0.0
10896,CO-ADD:0312556,12.83,c(cc1)cc(C(=O)N(Cc2occc2)C(C(Cc(occ3)c3[C@H]4C(O)=O)[C@@H]4C5=O)N56)c16,0.0
10897,CO-ADD:0312643,12.82,[C@@H](C(=O)[C@H](c1ccccc1)[C@@H](c2ccc(C)o2)N3C(=O)C(F)(F)F)([C@@H]3c(cc4)oc4C)c5ccccc5,0.0
10898,CO-ADD:0306244,12.82,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(cccc4)c34,0.0
10899,CO-ADD:0304022,12.82,c1(noc(c2ccccc2F)n1)c3nonc3N,0.0
10900,CO-ADD:0302962,12.82,c1(N(CC2)CCN2CC(=O)Nc(cc3)ccc3[N+](=O)[O-])sc(c4n1)cccc4,0.0
10901,CO-ADD:0303617,12.82,N1(c2ccccc2C)C(=O)\C(=C\Nc3c(OC)ccc(OC)c3)\C(NC1=S)=O,0.0
10902,CO-ADD:0304072,12.82,N12C(S\C(=C/c(cccn3)c3)\C1=O)=NCN(c4ccc(cc4)OCC)C2,0.0
10903,CO-ADD:0302180,12.82,c12c(c(c(C)c(O)n1)C)c(nn2c3ccccc3)C,0.0
10904,CO-ADD:0302916,12.82,N1(c2ccc(cc2)C)C(c(cc3OC)cc(c3OCC(=O)N4CCCCC4)Br)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
10905,CO-ADD:0305130,12.82,n1(c2ccccc2F)nnnc1SCc(cc3)ccc3[N+](=O)[O-],0.0
10906,CO-ADD:0300680,12.82,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=C3C1c4ccc(C)s4)CCCC3=O,0.0
10907,CO-ADD:0300465,12.82,N1(C=C(CCO2)C2=C3C#N)C3=NC=C(C(OCC)=O)C1=O,0.0
10908,CO-ADD:0300857,12.82,c1(C(NCCNC(=O)c2ccc(cc2)C)=O)nonc1N,0.0
10909,CO-ADD:0301105,12.82,C1(C(OCC)=O)=NN(C(c2c3c([nH]c2)cccc3)N1c4ccc(cc4)C)c5ccccc5,0.0
10910,CO-ADD:0300921,12.82,N1(CC(CC1=O)c2ccccc2)C(=O)c3ccccc3Cl,0.0
10911,CO-ADD:0301004,12.81,c1(CSCC(=O)Nc2c(C)cccc2C)c(cccc1Cl)Cl,0.0
10912,CO-ADD:0300316,12.81,N1(c(cc2)ccc2C(C)C)CC(CC1=O)C(=O)Nc3ccccc3OCC,0.0
10913,CO-ADD:0304774,12.81,C(=O)(Oc1ccc(cc1C=O)N=Nc2ccccc2)N(CC3)CCO3,0.0
10914,CO-ADD:0304542,12.81,c1(C#N)c(SCC(=O)Nc2ccccc2)nc(cc1c3ccccc3OC)c4ccccc4,0.0
10915,CO-ADD:0304429,12.81,N1(C(CC2(C)C)CC(N2)(C)C)C(C)(O)C(OC1=O)(C)CC\C=C(\C)/C,0.0
10916,CO-ADD:0311537,12.81,n12c(c(c(c3ccc(cc3)OC)c1C(=O)Nc(cc4)ccc4Cl)CCCC5)n5c(c6ccc(cc6)Br)n2,0.0
10917,CO-ADD:0311566,12.81,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)Br)n1c5ccccc5C,0.0
10918,CO-ADD:0306697,12.81,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(O)C(N2CCCN(C)C)=O,0.0
10919,CO-ADD:0307177,12.81,N1C(C)(C)CC(CC1(C)C)NC(CC2(C)C)CC(N2)(C)C,0.0
10920,CO-ADD:0306712,12.81,C(=O)(C1(CCCC1)NC=O)NC(C(C)(C)C)\C=C\c2ccc(cc2Cl)Cl,0.0
10921,CO-ADD:0307150,12.81,n1(c2ccc(c3c2)OCO3)nnnc1SCC(=O)Nc4ccccc4Cl,0.0
10922,CO-ADD:0306228,12.81,n1(c2c(C)cc(cc2C)C)nnnc1SCC(=O)Nc3sccn3,0.0
10923,CO-ADD:0306065,12.81,N1C(=O)C(C#N)C(C([n+]2ccccc2)C1=O)c3ccccc3.[Cl-],0.0
10924,CO-ADD:0312173,12.8,S(=O)(=O)(c1cccc(nsn2)c12)N3CCc(c4C3C(O)=O)cccc4,0.0
10925,CO-ADD:0307491,12.8,C(C(OC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccc(Oc4ccccc4)c3,0.0
10926,CO-ADD:0311236,12.8,N1(c2ccc(cc2)NC(=O)c(cc3)ccc3N4C(=O)C(C(CC=C5)C4=O)C5)C(=O)C(C(C6)C1=O)CC=C6,0.0
10927,CO-ADD:0311038,12.8,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3cccc(OC)c3,0.0
10928,CO-ADD:0304255,12.8,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)NCc4ccccn4)c1C)cc(OC)cc3,0.0
10929,CO-ADD:0304363,12.8,N(C(=S)NN1c2ccccc2)=C1c3ccccc3,0.0
10930,CO-ADD:0304058,12.8,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3OC)OC)=C(O)C(N2Cc(cccn4)c4)=O,0.0
10931,CO-ADD:0301217,12.8,C1(C(OCCSCC)=O)=C(C)NC(=C2C1c3c(Cl)ccc(c3)[N+](=O)[O-])CCCC2=O,0.0
10932,CO-ADD:0300946,12.8,N1(c2cccc(C)c2)CC(CC1=O)C(=O)Nc(ccc(c3[N+](=O)[O-])Cl)c3,0.0
10933,CO-ADD:0300345,12.8,C(=O)(N(CC1)CCO1)c2ccccc2Sc3ccccc3C#N,0.0
10934,CO-ADD:0300362,12.8,n1(c(cc2)ccc2C(OC)=O)nnnc1SCC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
10935,CO-ADD:0300330,12.8,N1(c(cc2)ccc2N(C)C)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
10936,CO-ADD:0300354,12.8,c12c(n(c(SCC(=O)NC3=C(C)N(N(c4ccccc4)C3=O)C)n1)CC)C(N(C)C(=O)N2C)=O,0.0
10937,CO-ADD:0305063,12.8,N(C(CCCCCC)Oc(c12)ccc(c1)[N+](=O)[O-])(c(cccc3)c34)C2OC4(c5ccccc5)c6ccccc6,0.0
10938,CO-ADD:0300885,12.8,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4ccc(cc4)Cl)[N+](=O)[O-],0.0
10939,CO-ADD:0301133,12.8,n1(c2ccc(cc2)Cl)nnnc1SCc(cc3)ccc3[N+](=O)[O-],0.0
10940,CO-ADD:0304265,12.8,N1(c2ccccc2)C(=O)C(CC(OC)=O)=C(N=C1Nc3ccccc3)OCC(OC)=O,0.0
10941,CO-ADD:0303644,12.8,S(=O)(=O)(N(CC1)CCO1)c2cccc(cccc3C#N)c23,0.0
10942,CO-ADD:0302667,12.8,S(=O)(=O)(c1ccc(cc1)C)\N=C(/CCl)\N(CC2)CCO2,0.0
10943,CO-ADD:0304331,12.8,[C@@H]1(Oc(cc2)ccc2\C=N\NC(=O)C(C)Oc3ccc(cc3C)Cl)O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O,0.0
10944,CO-ADD:0301695,12.79,[nH]1c(SCCO)nc2c1ncnc2N,0.0
10945,CO-ADD:0303749,12.79,N1(c2ccc(cc2)CC)C(=O)NC(\C(=C/c3ccco3)\C1=O)=O,0.0
10946,CO-ADD:0307622,12.79,c(C(OC)=O)(c(cc(O)c(c12)cccc1)c2n3CCCOC(C)C)c3C,0.0
10947,CO-ADD:0312109,12.79,C12(C(=O)Nc(ccc(C)c3Br)c13)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)OCC)c24,0.0
10948,CO-ADD:0311684,12.79,n1c(c(ccc(c23)OCO2)c3)nnn1CC(OCC)=O,0.0
10949,CO-ADD:0305821,12.79,c1(NC(=O)c2cccc(OC)c2)sc(c(C)c1C(OC)=O)C,0.0
10950,CO-ADD:0312194,12.79,c1(N2CCCCC2)c(C=O)cc(c3n1)ccc(C)c3,0.0
10951,CO-ADD:0305764,12.79,c1(NC(COc2cccc(C)c2C)=O)sc(c(C)c1C(OCC)=O)C,0.0
10952,CO-ADD:0311336,12.79,S(=O)(=O)(N(CC1)CCN1c2ccc(cc2)F)c3ccc(c(Cl)c3OC)Cl,0.0
10953,CO-ADD:0312397,12.79,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(cc3)F,0.0
10954,CO-ADD:0307224,12.79,c12c(n(c(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n1)C(C)C)C(N(C)C(=O)N2C)=O,0.0
10955,CO-ADD:0311215,12.79,N1(CC(O)CN(c2c(OC)ccc(c2)[N+](=O)[O-])S(c3ccccc3)(=O)=O)C(=O)C(NC1=O)(C)C,0.0
10956,CO-ADD:0307517,12.79,c1(cc(Cl)ccc1NC(=O)c2ccc(c(OC)c2)OC)C(NCCCCO)=O,0.0
10957,CO-ADD:0311399,12.79,C1(C)(C2(CCCCC2)OC3=O)N3CCc(cccc4)c14,0.0
10958,CO-ADD:0319776,12.79,c12c(ccc(CNC(COc(cc3)ccc3Cl)=O)c1)OCO2,0.0
10959,CO-ADD:0319809,12.79,c1(ccoc1C)C(=O)Nc2ccccc2C(OC)=O,0.0
10960,CO-ADD:0320617,12.79,c1(C2c3ccccc3F)c([nH]nc1c4ccc(cc4OCC)OCC)OC(N)=C2C#N,0.0
10961,CO-ADD:0300867,12.79,[N+](=O)([O-])c1ccc(cc1NC(c2ccccc2)c3ccccc3)N(CC4)CCN4CCO,0.0
10962,CO-ADD:0300459,12.79,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)Nc3ccccc3C(F)(F)F,0.0
10963,CO-ADD:0300884,12.79,c1(cc(ccc1N(CC2)CCN2C(=O)c3ccccc3F)[N+](=O)[O-])C(F)(F)F,0.0
10964,CO-ADD:0300388,12.79,C(C#N)(C(c1ccc(cc1)O)CC(N2)=O)=C2SCCCCCC,0.0
10965,CO-ADD:0300365,12.78,C1(NC(=O)Cn2c3c(nc2SC)cccc3)=C(C)N(N(c4ccccc4)C1=O)C,0.0
10966,CO-ADD:0300438,12.78,N1(CCSC1c2ccccc2F)C(=S)Nc(cc3)ccc3C(OCC)=O,0.0
10967,CO-ADD:0305034,12.78,S(=O)(=O)(Nc(cc1)ccc1C#N)c2c(Br)ccc(c2)C(=O)Nc3ccccc3,0.0
10968,CO-ADD:0300702,12.78,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3scc(c4ccc(cc4)F)n3,0.0
10969,CO-ADD:0303522,12.78,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(CC)s5)cccc4,0.0
10970,CO-ADD:0301666,12.78,C(=O)(c1cccc(O)c1)N\N=C(/C)\C,0.0
10971,CO-ADD:0303461,12.78,C(/NCC1CBr)(=N\NC(=O)c2cccc(OC)c2)\S1.Br,0.0
10972,CO-ADD:0303826,12.78,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c4ccco4,0.0
10973,CO-ADD:0301681,12.78,C(=O)(N1CCC(CC1)C)c2ccccc2NC(=O)c3ccc(cc3)C,0.0
10974,CO-ADD:0303647,12.78,C1(=S)NC(C)(C)C=C(C)N1c2cccc(C)c2,0.0
10975,CO-ADD:0310860,12.78,n(CCC1CCCC1)(c2c(c3C(OCC)=O)cc(O)c(cccc4)c24)c3C,0.0
10976,CO-ADD:0311090,12.78,c1(C(OC)=O)cc(OC)c(cc1NC(=O)\C=C\c2ccccc2)OC,0.0
10977,CO-ADD:0311079,12.78,S1(=O)(=O)c2c(c3N1CC(=O)Nc4c(C)cccc4C)c(ccc2)ccc3,0.0
10978,CO-ADD:0306350,12.78,C12(C(=O)NCc3ccccc3)C(=NN=CN1)N(C(=O)N2C)C,0.0
10979,CO-ADD:0306046,12.78,N1(c2ccccc2)c(ncnc3N4CCCCCC4)c3SC1=S,0.0
10980,CO-ADD:0312076,12.78,n1(c2ccccc2)c(SCC(=O)Nc3ccccc3)nnc1c4cccc(F)c4,0.0
10981,CO-ADD:0307071,12.78,C(=O)(N(CC1)CCN1c2ccc(cc2F)C(C)=O)c3c(C)cc(c(F)c3)F,0.0
10982,CO-ADD:0311899,12.78,c12c(c3c(cccc3)OC1=O)nc(c4ccc(cc4)CC)nc2NC(C)=O,0.0
10983,CO-ADD:0306014,12.78,C1(=S)N(CCC(C)C)NC(CC2)(CCC2C(C)(C)CC)N1,0.0
10984,CO-ADD:0307167,12.78,n(c(NCC=C)nc(n1)Cl)c1NCC(OCC)=O,0.0
10985,CO-ADD:0307323,12.78,C(=C/Nc(cc(OC)c(c1OO)OC)c1)(/C2=O)\C(=O)NC(=O)N2,0.0
10986,CO-ADD:0320105,12.78,C1(C(OCC)=O)C(c2ccc(cc2)OC)C(C(OCC)=O)C(=CC1=O)C,0.0
10987,CO-ADD:0319722,12.77,c12c(ccc(C(=O)Nc3ccccc3)c1SC)C(=O)c(c4C2=O)cccc4,0.0
10988,CO-ADD:0319738,12.77,c1(c2ccccc2F)nnn(CC(=O)Nc(cc3)ccc3OC(F)(F)F)n1,0.0
10989,CO-ADD:0319787,12.77,c1(NC(COc(cc2)ccc2[N+](=O)[O-])=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
10990,CO-ADD:0300444,12.77,N1(c(cc2)ccc2C(OC)=O)C(=O)CC(N(CC3)CCN3C(=O)c4ccccc4F)C1=O,0.0
10991,CO-ADD:0300406,12.77,C1(C)(CCC2C3CCc(cc(OCC=C)cc4)c24)C3CCC1=O,0.0
10992,CO-ADD:0300422,12.77,C(=N\c(cc1)ccc1C(OCC)=O)(/SC(C(=O)Nc(cc2)ccc2Cl)CC3=O)\N3CC=C,0.0
10993,CO-ADD:0300752,12.77,c1(cc(ccc1N(CC2)CCN2Cc3ccccc3)[N+](=O)[O-])C(=O)Nc4ccccc4OCC,0.0
10994,CO-ADD:0305147,12.77,N1(c2ccccc2OC)C(=O)\C(\SC1=N)=C/c(cc3)ccc3OC,0.0
10995,CO-ADD:0301908,12.77,c1(c(ccc2C(CC)=O)OCCO1)c2,0.0
10996,CO-ADD:0303291,12.77,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc2cccc(O)c2,0.0
10997,CO-ADD:0304389,12.77,C(C(OC)=O)(CC(N1c2ccc(cc2)F)=O)=C1C,0.0
10998,CO-ADD:0302149,12.77,C(=O)(c1cccc(c1)OC(C)=O)Nc(cc2)ccc2OCC(O)=O,0.0
10999,CO-ADD:0304159,12.77,C(C(OC)=O)(=CN(Cc(cc1)ccc1C)C=C2C(OC)=O)C2c3cc(F)ccc3F,0.0
11000,CO-ADD:0303584,12.77,n1(c2ccccc2)nnnc1SCCCC#N,0.0
11001,CO-ADD:0305562,12.77,c1(C(c2ccccc2)OC(=O)c3cccc(Br)c3)nc(c4n1Cc5ccccc5F)cccc4,0.0
11002,CO-ADD:0305618,12.77,C1(C)(C(C)(C)O)NCCc(cc(c(OC)c2)OC)c12.Cl,0.0
11003,CO-ADD:0311175,12.76,c1(c2c(sc1NC(=O)c(ccc(c3[N+](=O)[O-])Cl)c3)CCCC2)C(=O)OC(C)C,0.0
11004,CO-ADD:0305537,12.76,S(=O)(=O)(Cc1ccccc1)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc(cc4)ccc4Cl,0.0
11005,CO-ADD:0305545,12.76,[N+](=O)([O-])c1ccc(cc1)NCCCNC(C)=O,0.0
11006,CO-ADD:0312444,12.76,c1(C2=O)c(sc(CC(CC)CC3)c13)N=C(SCc(cc4)ccc4OC)N2c5ccccc5,0.0
11007,CO-ADD:0311956,12.76,s1c(C)nnc1SCC(=O)c2ccc(c3c2)CCCC3,0.0
11008,CO-ADD:0312557,12.76,c1cc(c2cc1)C(=O)N(CCc3ccc(OC)c(OC)c3)C(C(Cc(occ4)c4[C@H]5C(O)=O)[C@@H]5C6=O)N26,0.0
11009,CO-ADD:0312533,12.76,C1(C(=CC2[C@@H]3C(=O)N(c4cccc(C#N)c4)C2)SC=C1)[C@H]3C(O)=O,0.0
11010,CO-ADD:0312624,12.76,c(cc1c(C(C(CC(=O)N(C\C=C\c2ccccc2)c3cccc(C)c3)C(=O)O)C4C(C1C(=O)O)C(=O)N(c5cccc(C)c5)C4)c6)c6,0.0
11011,CO-ADD:0307360,12.76,c1(c2ccccc2Cl)nnn(CC(=O)Nc(ccc(c34)OCO3)c4)n1,0.0
11012,CO-ADD:0307152,12.76,n1(c(cc2)ccc2C(=O)NC(c3ccccc3)C(=O)Nc4c(C)cccc4C)cnnn1,0.0
11013,CO-ADD:0320516,12.76,C(=O)(NC(NCCc(c1c([nH]2)cccc1)c2C)=O)c3ccc(cc3Cl)Cl,0.0
11014,CO-ADD:0319900,12.76,c1(C2c3ccc(cc3)O)c([nH]nc1c4ccc(cc4OCC)OCC)OC(N)=C2C#N,0.0
11015,CO-ADD:0320373,12.76,c1(N2CCC(CC2)C(NN)=O)nonc1N,0.0
11016,CO-ADD:0302610,12.76,C1(=C(c2c(cccc2)CC1(CC)CC)N=C(N3Cc4ccccc4)SCC=C)C3=O,0.0
11017,CO-ADD:0302713,12.75,N1(\N=C(/CCCCC2)\C2)C3(CCCCCC3)Nc(c4C1=O)cccc4,0.0
11018,CO-ADD:0302823,12.75,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(=O)CC(=O)NC(C)(C)Cc(cc2)ccc2O)C(C)(C)C,0.0
11019,CO-ADD:0304293,12.75,c1(Nc2c(C)cccc2C)nc(OC)nc(OC)n1,0.0
11020,CO-ADD:0301616,12.75,S(=O)(=O)(c1ccc(cc1)NC(C(C)C)=O)Nc2sccn2,0.0
11021,CO-ADD:0304266,12.75,c1(C(O)c2ccccc2)nc(c3n1Cc4ccccc4F)cccc3,0.0
11022,CO-ADD:0305238,12.75,c1(c2cccc(N)c2)nncn1C,0.0
11023,CO-ADD:0305298,12.75,C(=O)(C(O)(c1ccc(cc1)F)c2ccc(cc2)F)N(C)N(c3ccccc3)c4ccccc4,0.0
11024,CO-ADD:0300769,12.75,c1(ccccc1O)C(=O)NCC(NCCOc2ccccc2C)=O,0.0
11025,CO-ADD:0300833,12.75,n12c(S\C(=C/c(cc3)ccc3Cl)\C1=O)nnc2c4ccc(cc4)OCC,0.0
11026,CO-ADD:0301729,12.75,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C\c(cc3OCC)cc(c3OCCOc4ccccc4C)Br)\C1=O)=O,0.0
11027,CO-ADD:0302632,12.75,N1(c2cccc(OC)c2)C(\C=C\c(cc3)ccc3Cl)=Nc(c4C1=O)cccc4,0.0
11028,CO-ADD:0304192,12.75,C(=O)(C(=O)NCc(cc1)ccc1OC)Nc2cccc(C)c2C,0.0
11029,CO-ADD:0303602,12.75,n1(c2ccccc2)nnnc1SCC(=O)C3CC3,0.0
11030,CO-ADD:0304176,12.75,C1(SCC(=O)Nc(cc2)ccc2NC(CSC3=NCCS3)=O)=NCCS1,0.0
11031,CO-ADD:0310902,12.75,[N+](=O)([O-])c1ccc(c2c1cccn2)N(CC3)CCN3C(=O)\C=C\c4ccc(cc4Cl)Cl,0.0
11032,CO-ADD:0305722,12.75,C(C(OCC)=O)(=CN(c1cc(C)ccc1C)C=C2C(OCC)=O)C2c3cccc(C)c3,0.0
11033,CO-ADD:0305714,12.75,C(C(OCC)=O)(NC(CCCC)=O)(C(F)(F)F)Nc1sc(c2c1C#N)CCCC2,0.0
11034,CO-ADD:0305481,12.75,n1(C)cnnc1SCC(=O)Nc(cccc2C(=O)OC(C)C)c2,0.0
11035,CO-ADD:0306274,12.75,c1(C(CC(N2)=O)c3cccc(OC)c3)c2cc(C)c(C)c1,0.0
11036,CO-ADD:0306225,12.75,c1(nc(c2n1Cc3ccccc3C#N)cccc2)c4nonc4N,0.0
11037,CO-ADD:0306253,12.75,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=C3C1c4cc(Br)ccc4OC)CCCC3=O,0.0
11038,CO-ADD:0305509,12.75,c1(cc(C)c(cc1N(CC2)CCO2)NC(=S)NC(=O)c3ccc(cc3)Cl)[N+](=O)[O-],0.0
11039,CO-ADD:0312609,12.75,c(ccc(CC1C(C2C(=O)O)C(=O)N(C(C)C)C1)c23)c3,0.0
11040,CO-ADD:0312323,12.74,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc4ccccc4)c5ccc(cc5)Br,0.0
11041,CO-ADD:0307500,12.74,C(C(OC)=O)(C1c(cc2)ccc2N(C)C)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
11042,CO-ADD:0306231,12.74,C(=C\c(cc1)ccc1F)(/C(=O)NN2c3ccc(cc3)F)\C2=O,0.0
11043,CO-ADD:0302526,12.74,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cccc4C(O)=O)c4,0.0
11044,CO-ADD:0301920,12.74,C(=C\c(cc1OCC)cc(c1OCCOc(cc2)ccc2C)Br)(/C(=O)NC(N3)=O)\C3=O,0.0
11045,CO-ADD:0302999,12.74,C(=O)(NC(CC1(C)C)CC(N1)(C)C)C(=O)Nc(cc2)ccc2C(C)C,0.0
11046,CO-ADD:0303019,12.74,n12c(cc(c3ccccc3)n1)nc(cc2C(F)(F)F)c4ccc(cc4)C,0.0
11047,CO-ADD:0302801,12.74,N1(c2ccc(cc2)Cl)C(=O)\C(\SC1=N)=C\c(ccc(c3OC)OCCC)c3,0.0
11048,CO-ADD:0302000,12.74,C(N1CCC(CC1)C)(C2=O)=C(Cl)C(C(N3CCC(CC3)C)=C2Cl)=O,0.0
11049,CO-ADD:0305330,12.74,c1(nc(C)cc(C)n1)N(CC(OCC)=O)C#N,0.0
11050,CO-ADD:0305354,12.74,C(C#N)(C(c(cc1)ccc1[N+](=O)[O-])CC(N2)=O)=C2SCC(=O)Nc3cccc(Cl)c3C,0.0
11051,CO-ADD:0304890,12.74,c1(NN)c(OC)cc(c(OC)c1)Cl,0.0
11052,CO-ADD:0305331,12.74,n1c(SCC(OCC)=O)cc(nc1N)C,0.0
11053,CO-ADD:0304803,12.74,N1(CCc(cccc2)c12)C(=O)CSc3sc4c(ccc(c4)NC(=O)c5ccccc5C(=O)N(CC6)CCO6)n3,0.0
11054,CO-ADD:0304811,12.74,n1(Cc(cc2)ccc2Cl)nc(cc1c3ccccc3O)c4ccccc4,0.0
11055,CO-ADD:0303554,12.74,C(C#N)(C(CC(N1)=O)c(ccc(c2OCc3ccccc3)OC)c2)=C1SCC(OC)=O,0.0
11056,CO-ADD:0303611,12.73,N1(Cc2ccccc2)c(ncnc3O)c3SC1=S,0.0
11057,CO-ADD:0304009,12.73,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4ccc(c(Cl)c4)Cl,0.0
11058,CO-ADD:0304076,12.73,C1(C#N)=C(C(OCC)=O)C=C(C)NC1=S,0.0
11059,CO-ADD:0304119,12.73,c1(c2c(oc1C)CCCC2)C(=O)NC(CCSC)C(O)=O,0.0
11060,CO-ADD:0302014,12.73,c1(cc(n2)c3ccccc3)n2c(cc(O)n1)C,0.0
11061,CO-ADD:0307112,12.73,c1(noc(COc(ccc(c2C)Cl)c2)n1)c3nonc3N,0.0
11062,CO-ADD:0305442,12.73,C1(=N2)N(C(CS1)=O)C(C(CCc(cccc3)c34)=C24)c5ccc(cc5)OC,0.0
11063,CO-ADD:0305746,12.73,C(C(OCC)=O)(=CN(c1cc(C)ccc1C)C=C2C(OCC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
11064,CO-ADD:0307631,12.73,S(=O)(=O)(c(cc1)ccc1N2CCCC2=O)Nc(ccc(c3Cl)Cl)c3,0.0
11065,CO-ADD:0307608,12.73,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3ccc(cc3F)C(CC)=O,0.0
11066,CO-ADD:0307602,12.73,C(=O)(N1CCCCCC1)c2c(cccc2F)F,0.0
11067,CO-ADD:0307576,12.73,C(/C#N)(=C/c1ccc(C)o1)\C(=O)Nc(cc2)ccc2F,0.0
11068,CO-ADD:0306970,12.72,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c(cc(OCC)c(c4[N+](=O)[O-])OC(=O)c5cccs5)c4,0.0
11069,CO-ADD:0311648,12.72,c1(nncn1C)S\C(\C(OC)=O)=N/Nc(cc2)ccc2OC,0.0
11070,CO-ADD:0307118,12.72,S(N)(=O)(=O)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4OC(Cl)(F)F)c1,0.0
11071,CO-ADD:0311948,12.72,S(=O)(=O)(c1ccc(cc1)F)Nc(cccc2C3OCCCO3)c2,0.0
11072,CO-ADD:0306889,12.72,N1(CCCCCc(onc2c3nonc3N)n2)C(=O)c4c(cccc4)C1=O,0.0
11073,CO-ADD:0302451,12.72,C(=O)(Nc(cc1)ccc1OCC=C)C(=O)NC(CC2)CCC2C(C)(C)CC,0.0
11074,CO-ADD:0302002,12.72,C12(N(c3ccccc3)N=C(C(OCC)=O)S1)Nc(sc(c45)CC(CC4)C)c5C(=O)N2c6ccccc6,0.0
11075,CO-ADD:0303256,12.72,[N+](=O)([O-])c1ccc(cc1NCc(cc2)ccc2C(C)C)N3CCCC3,0.0
11076,CO-ADD:0301529,12.72,c1(N\N=C\c2cccc(ns3)c2n3)[nH]nnn1,0.0
11077,CO-ADD:0303606,12.72,c1(cc(ccc1N2CCCCC2)C(O)=O)[N+](=O)[O-],0.0
11078,CO-ADD:0301956,12.72,c12c(n(c(Sc3nncn3Cc4ccccc4)n1)C)C(N(C)C(=O)N2C)=O,0.0
11079,CO-ADD:0311833,12.72,c1(Nc(cc2)ccc2OC(F)(F)Cl)nc(NC)nc(OCC(F)(F)F)n1,0.0
11080,CO-ADD:0307335,12.72,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccccc4[N+](=O)[O-])cccc3,0.0
11081,CO-ADD:0306068,12.72,c12c(cc(C)c(C)c1)NC(=O)CC2c(cc3OC)cc(c3OC)OC,0.0
11082,CO-ADD:0306078,12.72,s1c(C)nnc1SCC(=O)c(ccc(c23)OCO2)c3,0.0
11083,CO-ADD:0311619,12.72,C(=N/c(cc1)ccc1OC(F)(F)Cl)(/SC(C(=O)Nc(cc2)ccc2Cl)CC3=O)\N3CC,0.0
11084,CO-ADD:0311858,12.72,C(C(OC)=O)(NC(C)=O)(C(F)(F)F)Nc1sc(c2c1C#N)CC(CC2)C,0.0
11085,CO-ADD:0304900,12.72,S(c1ccccc1)(=O)(=O)N2CCCC2C(NCCc3cccc(cccc4)c34)=O,0.0
11086,CO-ADD:0304485,12.72,C1(=O)Nc2c(Oc(cc(cc3Oc4cccc(C)c4)[N+](=O)[O-])c13)cccc2,0.0
11087,CO-ADD:0304917,12.71,S(=O)(=O)(c1ccc(cc1)N)N2CC(CC2C3)(C)CC3(C)C,0.0
11088,CO-ADD:0300690,12.71,c1(c(OC)cc(cc1OC)C=O)OC(=O)c2ccco2,0.0
11089,CO-ADD:0301186,12.71,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(cc(CC=C)c(c4OCC)OC)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
11090,CO-ADD:0305284,12.71,n1c(C)scc1c2ccc(cc2)NC(c(cc3)ccn3)=O,0.0
11091,CO-ADD:0304747,12.71,[nH]1c2c(nc1SCc3ccc(cc3Cl)Cl)cccn2,0.0
11092,CO-ADD:0300347,12.71,C1(=O)c2c(cccc2)NC3(CCC(CC3)C)N1,0.0
11093,CO-ADD:0301891,12.71,c(Nc1cccc(C)n1)(nc(OC(C(F)(F)F)C(F)(F)F)nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
11094,CO-ADD:0301567,12.71,c1(\C(\CCC2)=N\Oc(cc3)ccc3[N+](=O)[O-])c2non1,0.0
11095,CO-ADD:0303122,12.71,C(C(F)(F)F)(C(F)(F)F)(NC(c(cc1)ccn1)=O)Nc2sc(c3c2C(N)=O)CCCC3,0.0
11096,CO-ADD:0301374,12.71,C(CC)(NC(NCCc1ccccc1)=O)(C(F)(F)F)C(F)(F)F,0.0
11097,CO-ADD:0303784,12.71,c1(C#N)c(C(CCC=C2)C2)c3c(nc1SCC)CCC3,0.0
11098,CO-ADD:0301890,12.71,c(OC(C(F)(F)F)C(F)(F)F)(nc(Nc(cc1OC)cc(c1OC)OC)nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
11099,CO-ADD:0312239,12.71,C1(C(OCC)=O)=C(c2ccccc2)N(C(=O)NC1c3cccc(Cl)c3Cl)C,0.0
11100,CO-ADD:0312094,12.71,N1(CC(OC)=O)C(=O)c(c2S1=O)ccc(c2)[N+](=O)[O-],0.0
11101,CO-ADD:0307383,12.71,c1(c[nH]nc1C(NN)=O)[N+](=O)[O-],0.0
11102,CO-ADD:0307647,12.71,S(=O)(=O)(c1ccc(cc1)NC(COc(cc2)ccc2CC)=O)N3CCCC3,0.0
11103,CO-ADD:0306883,12.71,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c(cc4OC)cc(c4OC)OC,0.0
11104,CO-ADD:0306156,12.71,N1(Cc2ccccc2)C(=O)c3c(cc(cc3NCc4ccccc4)[N+](=O)[O-])S1=O,0.0
11105,CO-ADD:0306040,12.71,N(CC(=O)N\N=C\c(ccc(c1[N+](=O)[O-])N(CC2)CCN2C(c3ccccc3)=O)c1)(c(cccc4)c45)c(cccc6)c6C5=O,0.0
11106,CO-ADD:0306024,12.71,C1(NC(=O)Cc(c(cc(OC)cc2)c2n3C(=O)c4ccc(cc4)Cl)c3C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
11107,CO-ADD:0305579,12.71,c1(OCc2cccc(Cl)c2)c(OCC)cc(cc1Br)C=O,0.0
11108,CO-ADD:0311151,12.71,C(=C\c1ccccc1)(/NC(c2ccccc2)=O)\C(=O)N(CC3)CCN3CCO,0.0
11109,CO-ADD:0311416,12.7,C(=C/N(C)C)(/C(CCC)=NN1c2ccc(cc2)F)\C1=O,0.0
11110,CO-ADD:0311223,12.7,N1(CC(O)COc(cc2)ccc2C(OC)=O)C(=O)c(c3C1=O)cccc3,0.0
11111,CO-ADD:0302994,12.7,N1(Cc2ccccc2F)c(cccc3)c3\C(=C(/C#N)\c4[nH]c(c5n4)cccc5)\C1=O,0.0
11112,CO-ADD:0302625,12.7,N1(C)C(\C=C\c(cc2)ccc2N(C)C)=Nc(c3C1=O)cccc3,0.0
11113,CO-ADD:0301347,12.7,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccccc4)c5ccc(c(C)c5)C,0.0
11114,CO-ADD:0301253,12.7,C1(=S)N(NC(c2ccccc2)=O)C(C(=O)N1c3ccc(cc3)F)CC(=O)Nc(cc4)ccc4OC,0.0
11115,CO-ADD:0303148,12.7,c1(NC(CCc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc(cc3)ccc3C(OCC)=O,0.0
11116,CO-ADD:0304139,12.7,c1(OCc2ccccc2F)c(OCC)cc(cc1Br)C=O,0.0
11117,CO-ADD:0311005,12.7,c12c(n(cn1)CCCNC(CC(C)(C)CC3=O)=C3)C(N(C)C(=O)N2C)=O.Cl,0.0
11118,CO-ADD:0311803,12.7,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(=O)c3cccc(F)c3)F,0.0
11119,CO-ADD:0311298,12.7,S(=O)(=O)(c1ccc(c(OC)c1)Cl)N(CC2)CCN2c3ccccc3,0.0
11120,CO-ADD:0305438,12.7,C(=C/c(c(cccc1)c1n2Cc3ccc(cc3Cl)Cl)c2)(/C4=O)\C(=O)OC5(CCCC5)O4,0.0
11121,CO-ADD:0306755,12.7,C1(C(=O)OC(C)CC)=C(C)NC(=C2C1c3cc(OC)c(cc3Br)OC)CCCC2=O,0.0
11122,CO-ADD:0310746,12.7,C1(CC(=O)Nc(cc(C)c(C)c2)c12)c3cc4c(cc3Cl)OCO4,0.0
11123,CO-ADD:0300947,12.7,N1(c2cccc(C)c2)CC(CC1=O)C(=O)Nc(cc3)c(Br)cc3[N+](=O)[O-],0.0
11124,CO-ADD:0304438,12.7,n(c(c(cc1)ccc1C(=O)N(CC2)CCO2)c3c(c4Nc(cc5)ccc5OC(F)(Cl)F)cccc3)n4,0.0
11125,CO-ADD:0301085,12.7,C1(O)(C(F)(F)F)NC(SCC(=O)Nc2ccc(cc2C)C)=C(C(c3ccccc3Cl)C1C(=O)c4cccs4)C#N,0.0
11126,CO-ADD:0300917,12.7,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1N(CC2)CCN2C(=O)c3ccc(cc3)C,0.0
11127,CO-ADD:0305356,12.69,N(CC1)(CCO1)CCC(=O)c2ccc(cc2)F.Cl,0.0
11128,CO-ADD:0305174,12.69,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(F)c4)F,0.0
11129,CO-ADD:0301348,12.69,N1=C(C=C(\C=C/c2cccn2c(cc3)ccc3[N+](=O)[O-])NC1=O)C(F)(F)F,0.0
11130,CO-ADD:0302910,12.69,N1(C(C)(C)C)C(c2ccc(c(OC)c2)OC)N(N=C1C(C)=O)c3ccc(cc3)Cl,0.0
11131,CO-ADD:0303544,12.69,C1(C#N)(C#N)C(C(C)C)\C(=N\Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])\CC(c3ccc(cc3)OC)C1(C#N)C#N,0.0
11132,CO-ADD:0304367,12.69,C(=N\O)(/C(=N/O)/O1)\C(c2ccc(cc2)C)=N1,0.0
11133,CO-ADD:0303492,12.69,c1(C(C)(CC)NC)nnnn1c2ccc(cc2)Cl,0.0
11134,CO-ADD:0303828,12.69,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3C(=O)c4ccccc4Br)[N+](=O)[O-],0.0
11135,CO-ADD:0306101,12.69,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccccc3F)N4CCCCC4)[N+](=O)[O-],0.0
11136,CO-ADD:0307293,12.69,c1(c(Cl)c(C)cc(F)c1F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(CCC)=O,0.0
11137,CO-ADD:0311590,12.69,c(C=O)(c(cccc1)c1n2CCOc3cc(C)ccc3C)c2,0.0
11138,CO-ADD:0307461,12.69,C1(C#N)=C(C)C(=C(C)NC1=O)Cl,0.0
11139,CO-ADD:0307453,12.69,C(=O)(Nc1ccc(cc1Cl)Cl)c2cccnc2Oc(cc3)ccc3F,0.0
11140,CO-ADD:0311460,12.69,C1(O)(OCC2(C(=O)C1)CCCCC2)C(F)(F)F,0.0
11141,CO-ADD:0312275,12.69,n1(c2ccccc2)nnnc1SCC(CSc3nnnn3c4ccccc4)=O,0.0
11142,CO-ADD:0312354,12.69,C12=C(CCCC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OCC)cc(c5O)Br,0.0
11143,CO-ADD:0305782,12.69,c1(NC(COc(cc2)cc(c2[N+](=O)[O-])C)=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
11144,CO-ADD:0307606,12.69,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
11145,CO-ADD:0312101,12.69,C1(F)(C#Cc2ccccc2)C(C1(C)C)(C)C,0.0
11146,CO-ADD:0312100,12.69,n(c(O)cc(n1)O)c1SCC(O)=O,0.0
11147,CO-ADD:0319880,12.69,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCN3c4cccc(Cl)c4)Nc(cc5)ccc5OC(Cl)(F)F,0.0
11148,CO-ADD:0304146,12.69,S(=O)(=O)(Nc(cccc1C(O)=O)c1)c2c(C)ccc(nsn3)c23,0.0
11149,CO-ADD:0301998,12.69,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C\c(cc(n4c5sc(c6c5C#N)CCCC6)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
11150,CO-ADD:0302956,12.69,N(=C\c1cccc(Br)c1)/NC(CCCO)=O,0.0
11151,CO-ADD:0303223,12.68,c1(NC(COc(cc2)ccc2Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
11152,CO-ADD:0304325,12.68,S(=O)(=O)(Nc(cc1)ccc1c2cn3c(cccc3)n2)c4c(C)ccc(c4)[N+](=O)[O-],0.0
11153,CO-ADD:0302511,12.68,N1(C)C(=O)\C(\SC1=S)=C/c(cc(Cl)cc2[N+](=O)[O-])c2O,0.0
11154,CO-ADD:0311170,12.68,c1(NC(=O)c2c(C)onc2c3ccccc3Cl)sc(c(C)c1C(OC)=O)C,0.0
11155,CO-ADD:0312446,12.68,C(NCCCCCCNC(NCCOc1ccccc1OC)=O)(NCCOc2ccccc2OC)=O,0.0
11156,CO-ADD:0237357,12.68,CC1=NC2=NC=CN2C(NC3=CC=C(C(F)(F)F)C=C3)=C1,0.0
11157,CO-ADD:0237277,12.68,OCc1ccc(cc1)c2cncc(Nc3cccc(Cl)c3)c2,0.0
11158,CO-ADD:0311396,12.68,C(C(C)=O)(C1c2ccccc2)=C(O)C(N1CCN(C3c4ccccc4)C(=O)C(=C3C(C)=O)O)=O,0.0
11159,CO-ADD:0237122,12.68,Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc3nc4ccccc4[nH]3)c(C)c1,0.0
11160,CO-ADD:0300578,12.68,c1(CC(O)=O)c(Sc2ccccc2)c3c(cccc3)n1Cc4ccccc4,0.0
11161,CO-ADD:0300486,12.68,C(=O)(Nc(c(ccc1C(F)(F)F)OCc2ccccc2)c1)c3ccccc3O,0.0
11162,CO-ADD:0301078,12.68,N1(C(c2ccccc2)CC(c3ccccc3)=N1)C(=S)Nc4ccccc4,0.0
11163,CO-ADD:0300358,12.68,n1(c(cc2)ccc2C(OC)=O)nnnc1SCC(=O)Nc3ccccc3CC,0.0
11164,CO-ADD:0300679,12.68,C(C(=O)OCc1ccccc1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cc5c(cc4Cl)OCO5,0.0
11165,CO-ADD:0300303,12.68,N(C)(C(=O)C(Cc1cccs1)C(N2C)=O)C2=O,0.0
11166,CO-ADD:0304828,12.68,c(S(NCCOc1ccccc1)(=O)=O)(nn(c23)c(C)cc(C)n2)n3,0.0
11167,CO-ADD:0304868,12.68,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)OC)c5ccc(cc5)Cl,0.0
11168,CO-ADD:0304876,12.67,c1(ccc(cc1)OC)c2ccc(cc2)N,0.0
11169,CO-ADD:0305365,12.67,N(CC1)(CCO1)C(CCCCCCCCC#C)=O,0.0
11170,CO-ADD:0302572,12.67,n(c1c(n2)cccc1)(c3N)c2c(c(c4cccc(cccc5)c45)c3C#N)C#N,0.0
11171,CO-ADD:0303874,12.67,N1C(c2ccc(cc2)OCC(N)=O)SCC1C(O)=O,0.0
11172,CO-ADD:0302367,12.67,c1(CC(=O)Nc2cccc(Cl)c2)c(Sc3ccccc3)c4c(cccc4)n1Cc5ccccc5,0.0
11173,CO-ADD:0303017,12.67,c(CC(NC(C)=O)C(=O)NC1CC1)(c2c([nH]3)cccc2)c3,0.0
11174,CO-ADD:0303521,12.67,C(C(OC)=O)(=CN(Cc(cc1)ccc1C)C=C2C(OC)=O)C2c3ccc(cc3)OC(F)(F)F,0.0
11175,CO-ADD:0302858,12.67,c1(C(N)=O)c(C)oc(C(C)(C)C)c1,0.0
11176,CO-ADD:0312361,12.67,c1(C2c3ccc(c(OC)c3)O)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
11177,CO-ADD:0310900,12.67,S(C)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NC(C)c3ccccc3,0.0
11178,CO-ADD:0311941,12.67,C(NC(C)=O)(C(=O)c(cccc1)c1C2=O)=C2N(CC3)CCN3c4ccc(cc4)OC,0.0
11179,CO-ADD:0306837,12.67,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4cccc(OCC)c4,0.0
11180,CO-ADD:0306798,12.67,C(C(=O)OCc(cc1)ccc1OC)(C2c(cc3)ccc3C(F)(F)F)=C(C)NC(CCCC4=O)=C24,0.0
11181,CO-ADD:0311709,12.67,C(C#N)(=C(C)\C(=N\c(cc1)ccc1N(C)C)\C(N2CCO)=O)C2=O,0.0
11182,CO-ADD:0307511,12.67,C12(C#N)C(c(cc3)ccn3)OC4(C(CCCCCCCCCC4)C1(C#N)C#N)OC2=N,0.0
11183,CO-ADD:0306169,12.67,N1(c2ccccc2OC)C(=S)SC(C(OCC)=O)=C1N,0.0
11184,CO-ADD:0306722,12.67,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)ccc5c(cc6)ccc6C7Nc(ccc(c89)cccc8)c9C(CC(C)(C)CC%10=O)=C7%10,0.0
11185,CO-ADD:0312466,12.67,[C@H]1(O[C@@](CN2c3ccc(C)cc3)(C=C1)[C@@H]4C2=O)C4,0.0
11186,CO-ADD:0306241,12.66,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccccc4OCC,0.0
11187,CO-ADD:0307126,12.66,n(c(c(cc1)ccc1C(NCCO)=O)c2c(c3Nc(cc4)ccc4OC(F)(Cl)F)cccc2)n3,0.0
11188,CO-ADD:0319803,12.66,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
11189,CO-ADD:0320545,12.66,c1(ccccc1OCC)NN,0.0
11190,CO-ADD:0320154,12.66,c1(c2c(CCC2)nc(ccc(cccc3)c34)c14)c(cc5OCC)cc(c5O)Br,0.0
11191,CO-ADD:0320178,12.66,c12c(CCNC1C3CCCCC3)cc(c(OCC)c2)OCC,0.0
11192,CO-ADD:0320378,12.66,C(N)(NCCc(ccc(c1OCC)OCC)c1)=O,0.0
11193,CO-ADD:0302412,12.66,C(CCl)(=O)Nc(cccc1C(C)=O)c1,0.0
11194,CO-ADD:0303709,12.66,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(ccc(c3[N+](=O)[O-])O)c3,0.0
11195,CO-ADD:0302756,12.66,c12c(C(N(C)C(=O)N1C)=O)n(c(Sc3nccn3C)n2)Cc4cccc(Cl)c4,0.0
11196,CO-ADD:0303062,12.66,C(C#N)(C(c1ccccc1OCC)C2C(OC)=O)=C(S)NC2=O,0.0
11197,CO-ADD:0301989,12.66,c1(c2ccccc2)cc(c3cccc(O)c3)nc(ccc4c5cccn4)c15,0.0
11198,CO-ADD:0302750,12.66,n12c(S\C(=C/c(cc3OCC)cc(c3OCC)Cl)\C1=O)nc(cc(C)c(C)c4)c24,0.0
11199,CO-ADD:0306971,12.66,c1(C2c3cc4c(cc3Br)OCO4)c([nH]nc1c5ccc(cc5)OCCCC)OC(N)=C2C#N,0.0
11200,CO-ADD:0305773,12.66,[N+]1(C(C)Cc2ccccc2)=NO\C(=N\C(=O)Nc(cc3)ccc3Br)\[CH-]1,0.0
11201,CO-ADD:0305696,12.65,C(=C(C)NC(=C1C#N)SCC(=O)c2ccc(cc2)C)(C(=O)Nc3ccccc3C)C1c4ccco4,0.0
11202,CO-ADD:0310794,12.65,S(=O)(=O)(N1C)N(C)C(C12)OC(C(OC(C3N(S4(=O)=O)CCC)N4CCC)O3)O2,0.0
11203,CO-ADD:0311815,12.65,S(=O)(=O)(c1ccc(cc1)NC(CSc2nc(c3ccccc3)cc(C(F)(F)F)c2C#N)=O)Nc4nc(C)cc(C)n4,0.0
11204,CO-ADD:0306879,12.65,c1(noc(c2ccc(cc2)COc3c(Cl)ccc(Cl)c3)n1)c4nonc4N,0.0
11205,CO-ADD:0300563,12.65,S(=O)(=O)(N(CC1)CCO1)c2c(F)ccc(c2)C(=O)Nc3nnc(c4ccccc4)o3,0.0
11206,CO-ADD:0300603,12.65,C1(c2cc(OC)c(cc2OC)Br)C(=CNC=C1C(OC)=O)C(OC)=O,0.0
11207,CO-ADD:0300643,12.65,C(C(OCCOCC)=O)(C1c2ccc(cc2)SC)=C(C)NC(CCCC3=O)=C13,0.0
11208,CO-ADD:0300572,12.65,[N+](=O)([O-])c1ccccc1NC(=O)CC2NCCNC2=O,0.0
11209,CO-ADD:0304515,12.65,C(C(OCC)=O)(C1c(cccn2)c2)=C(c3ccccc3)NC(SCC(OCCCC)=O)=C1C#N,0.0
11210,CO-ADD:0305224,12.65,C(OC1)(OCC1(CO)[N+](=O)[O-])(c2c(N3CN(CC4)CCN4Cc5ccccc5)cccc2)C3=O,0.0
11211,CO-ADD:0304760,12.64,c1(nnc(CC)n1n2c(C)ccc2C)n3c(c4ccccc4)cc(c5ccccc5)n3,0.0
11212,CO-ADD:0305256,12.64,c1(C(=O)NCc(ccc2C(O)=O)o2)c(C)oc(C(C)(C)C)c1,0.0
11213,CO-ADD:0300787,12.64,C(/C#N)(\C(OCC=C)=O)=C/c(ccc1c2ccc(cc2)C)o1,0.0
11214,CO-ADD:0304564,12.64,C(C(OCC)=O)(C1c(ccs2)c2)=C(C)N(C(C)=C1C(OCC)=O)C,0.0
11215,CO-ADD:0304837,12.64,C1(C(OCC)=O)(C(F)(F)F)N=C(C=CC=C2)N2C(c3ccccc3)=N1,0.0
11216,CO-ADD:0305334,12.64,N1(c2cccc(OC)c2)C(\C=C\c(c3c([nH]4)cccc3)c4)=Nc(c5C1=O)cccc5,0.0
11217,CO-ADD:0302747,12.64,S(N)(=O)(=O)c1ccc(cc1)CCn(cnn2)n2,0.0
11218,CO-ADD:0301798,12.64,c12c(C(c(cccc3)c3C1=O)=O)cc(c(nsn4)c24)N(CC5)CCO5,0.0
11219,CO-ADD:0302387,12.64,C(=C(C)NC(=C1C#N)SCC(=O)Nc2c(OC)ccc(Cl)c2)(C(=O)Nc3ccccc3OC)C1c4ccccc4,0.0
11220,CO-ADD:0301309,12.64,n1(c(cc2)ccc2C(=O)OCC(=O)Nc(cc3)ccc3OCC)nnnc1SCC(=O)N(CC4)CCO4,0.0
11221,CO-ADD:0301719,12.64,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(ccc3Sc(cc4)ccc4C)o3)\C1=O)=O,0.0
11222,CO-ADD:0301232,12.64,C1(c2ccc(c(OC)c2OC)OC)C(=CNC=C1C(OC)=O)C(OC)=O,0.0
11223,CO-ADD:0311392,12.64,C(C(=O)C(C)(C)C)(C1c2ccc(cc2)F)=C(O)C(N1CCCCCC(O)=O)=O,0.0
11224,CO-ADD:0311391,12.64,N1(c2ccccc2[N+](=O)[O-])C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
11225,CO-ADD:0307415,12.64,C1(C#N)(C(c(cccn2)c2)O3)C(=N)OC3(C(C)C1(C#N)C#N)C,0.0
11226,CO-ADD:0306003,12.64,C(/Cl)(\C(OCC)=O)=N/Nc(cc1)ccc1OC,0.0
11227,CO-ADD:0312373,12.64,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccccc4F,0.0
11228,CO-ADD:0312436,12.64,c12c(n(c(N3CCCCC3)n1)CCC\N=C(/CCCCC4)\N4)C(N(C)C(=O)N2C)=O.Cl,0.0
11229,CO-ADD:0312200,12.64,N1(CC)C(=O)C(N(Cc(cc2)ccc2Cl)C1=S)CC(=O)Nc3ccccc3,0.0
11230,CO-ADD:0311772,12.64,S(=O)(=O)(NC(c1ccc(cc1)OC)CC(O)=O)c2cccc(nsn3)c23,0.0
11231,CO-ADD:0312412,12.64,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1cccc(C)c1)Nc2sc(c(c3ccccc3)c2C(OCC)=O)CC,0.0
11232,CO-ADD:0307235,12.64,C(C1CC=C)(c2ccc3c(ccc(C)c3)n2)=Cc4c(ccc(C)c4)N1,0.0
11233,CO-ADD:0310844,12.64,S(=O)(=O)(Nc(cccc1[N+](=O)[O-])c1)c(ccc(c2O3)N(C3=O)C)c2,0.0
11234,CO-ADD:0312154,12.64,c12c(nnc(SCC(=O)Nc3ccccc3F)n1)c4c(cccc4)n2C,0.0
11235,CO-ADD:0320547,12.64,C(C(N)c1ccc(cc1)F)C(O)=O,0.0
11236,CO-ADD:0320518,12.63,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5OCC(N)=O)c2,0.0
11237,CO-ADD:0320583,12.63,C1(CN(C)CCC1=O)C(OC)=O,0.0
11238,CO-ADD:0303672,12.63,N1(c2ccc(cc2)OC(C)C)CC(CC1=O)C(=O)Nc3sccn3,0.0
11239,CO-ADD:0301794,12.63,[N+](=O)([O-])c1ccccc1Oc2nc(C)cc(C)n2,0.0
11240,CO-ADD:0303047,12.63,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CCCCCCO)C(=O)c(cccc3[N+](=O)[O-])c3,0.0
11241,CO-ADD:0303077,12.63,n1(Cc2ccccc2)c(SCC(=O)C(C)(C)C)nnc1c3ccccc3,0.0
11242,CO-ADD:0302464,12.63,C(c1c2cccc1)(=N3)c(c(C(=O)N3)ccc4Cl)c4C2=O,0.0
11243,CO-ADD:0303262,12.63,c12c(n(c(NCCOCCCCCCCC)n1)C)C(N(C)C(=O)N2C)=O,0.0
11244,CO-ADD:0306877,12.63,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)OCCCC)c24,0.0
11245,CO-ADD:0312052,12.63,C(CSCC(=O)Nc1ccccc1)(=O)Nc(ccc(c23)cccc2)c3,0.0
11246,CO-ADD:0306810,12.63,C(C(=O)OCc(cc1)ccc1OC)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4c(Cl)ccc(c4)[N+](=O)[O-],0.0
11247,CO-ADD:0311252,12.63,c1(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])sc(c(C)c1C(OCC)=O)C(C)=O,0.0
11248,CO-ADD:0311164,12.63,c1(NC(=O)C(C)Oc2ccccc2Br)sc(c(C)c1C(OCC)=O)C,0.0
11249,CO-ADD:0311855,12.63,N1(c2ccc(cc2)Br)C(=O)\C(\SC1=N)=C\c(cc3OC)cc(c3OCc4ccccc4F)Cl,0.0
11250,CO-ADD:0304997,12.63,c(Sc1ccccc1)(nc(Cl)nc2Sc3ccccc3)n2,0.0
11251,CO-ADD:0304573,12.63,C1(c2ccccc2Cl)CC(=O)Nc(cccc3)c3S1,0.0
11252,CO-ADD:0304558,12.63,C1(C(=O)OC(C)C)=C(C)NC(NC1c2cccs2)=O,0.0
11253,CO-ADD:0304520,12.62,C(=C(C)NC(=C1C#N)SCC)(C(=O)Nc2ccccc2OC)C1c3ccc(C)o3,0.0
11254,CO-ADD:0304424,12.62,C1(C)(CC2)C(CC[C@]1(O)C(CO)=O)C(C23)CCC(=CC(=O)CC4)C34C,0.0
11255,CO-ADD:0304663,12.62,c1(sc(c2n1)cccc2)NC(=O)C(CC(N3c4ccc(cc4)CC)=O)C3,0.0
11256,CO-ADD:0304679,12.62,C(=O)(Nc(cc1)ccc1C(C)(C)C)C(NCCOC)=O,0.0
11257,CO-ADD:0302609,12.62,C1(=C(c2c(cccc2)CC1(CC)CC)NC(N3Cc4ccccc4)=S)C3=O,0.0
11258,CO-ADD:0304169,12.62,N1(c(cc2)ccc2C(OC)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cccc(C)c4,0.0
11259,CO-ADD:0304191,12.62,C(=O)(Nc(cc1)ccc1C(C)(C)C)C(NCCCC)=O,0.0
11260,CO-ADD:0304198,12.62,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)Nc(cc3)ccc3Cl,0.0
11261,CO-ADD:0301662,12.62,n(CC(=O)Nc(c1)cc(cc1C)C)(c2c(c3C=O)cccc2)c3,0.0
11262,CO-ADD:0302497,12.62,[N+](=O)([O-])c(cc1)ccc1N2CCCCC2,0.0
11263,CO-ADD:0311907,12.62,C(=O)(C(NCCCN(CC1)CCO1)=O)Nc2ccc(cc2F)Br,0.0
11264,CO-ADD:0311914,12.62,N(C(=O)\C(\S1)=C\c(cc2)ccc2OCc3ccccc3)=C1N(CC4)CCN4CC,0.0
11265,CO-ADD:0312490,12.62,[C@H]12O[C@]3([C@@H]([C@@H]1C(OC)=O)C(=O)N(C3)c4ccccc4)[C@H]([C@@H]2Br)Br,0.0
11266,CO-ADD:0305560,12.62,n1c(c2ccc(cc2)Br)cc(c(cc(Br)cc3Br)c13)C(O)=O,0.0
11267,CO-ADD:0306775,12.61,C1(C(=O)OCC(C)C)=C(C)NC(=C2C1c3c(Cl)ccc(c3)[N+](=O)[O-])CCCC2=O,0.0
11268,CO-ADD:0306242,12.61,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CCCC1=O)C2c3cccs3,0.0
11269,CO-ADD:0312481,12.61,[C@H]1(O[C@@](CN2c3ccc(C)cc3)(CC1)[C@@H]4C2=O)C4,0.0
11270,CO-ADD:0306235,12.61,c1(C(=O)N(C)C(N2C)=O)c2nc(C(OCC)=N)n1Cc3ccccc3Cl,0.0
11271,CO-ADD:0306204,12.61,c1(C(=O)Nc2ccccc2)nnn(Cc3ccccc3)c1N,0.0
11272,CO-ADD:0310829,12.61,c1(N(CC2)CCN2C)c(Cl)c(ccc1[N+](=O)[O-])N(CC3)CCN3C,0.0
11273,CO-ADD:0311244,12.61,C1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)=C(C)N(N(c3ccccc3)C1=O)C,0.0
11274,CO-ADD:0319929,12.61,c12c(CCNC1c(cc3OCC)cc(c3O)Cl)cc(c(OCC)c2)OCC,0.0
11275,CO-ADD:0320279,12.61,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2S(N)(=O)=O)nnc1c3cccs3,0.0
11276,CO-ADD:0303167,12.61,C(=C/c1cc(Br)ccc1OCCOc(cc2)ccc2C(C)(C)C)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
11277,CO-ADD:0301572,12.61,C12(N(c3ccccc3)N=C(C(C)=O)S1)Nc(sc(c45)CC(CC4)C)c5C(=O)N2c6ccccc6,0.0
11278,CO-ADD:0301635,12.61,c1(NC(=O)c2cccc(Cl)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccc(cc3OC)OC,0.0
11279,CO-ADD:0303245,12.61,c1(c2c(sc1NC(Cc3ccccc3)=O)CCC2)C(=O)Nc4ccccc4OCC,0.0
11280,CO-ADD:0301923,12.61,C(=C/c(ccc(c1OCC)OCCBr)c1)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
11281,CO-ADD:0301750,12.61,n1c(ccc(c23)cccc2)c3c4c(CCC4)c1c(cccc5[N+](=O)[O-])c5.Cl,0.0
11282,CO-ADD:0311430,12.61,N(Cc1ccccc1)(C(c(cc2)ccn2)=NN3CN4CCCCC4)C3=S,0.0
11283,CO-ADD:0311227,12.61,C1(=O)Nc(c2C1(c3ccc(cc3)N)c4ccc(cc4)N)cccc2,0.0
11284,CO-ADD:0311368,12.61,C(C(OC)=O)(Nc1ccc(cn1)Cl)(NC(C)=O)C(F)(F)F,0.0
11285,CO-ADD:0307032,12.61,c1(C(=O)C2CC2)oc(c3c1NC(=O)c(cc4)ccc4C(F)(F)F)ccc(Cl)c3,0.0
11286,CO-ADD:0307070,12.61,C(=O)(c1ccc(c(Cl)c1)Cl)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
11287,CO-ADD:0306910,12.61,C1(C)([C@@H](O)C2)C(CCC1C(C)CCC(OC)=O)C(C23)CCC(C[C@H](O)CC4)C34C,0.0
11288,CO-ADD:0305120,12.61,N1(c2ccc(cc2)C)C(=O)\C(\SC1=S)=C\c(cc3)ccc3N(CC)CC,0.0
11289,CO-ADD:0304488,12.6,N(C(CCCOc1ccc(cc1Cl)Cl)=O)c2ccccc2OC,0.0
11290,CO-ADD:0304497,12.6,c1(noc(c2ccc(cc2)OC)n1)c3nonc3N,0.0
11291,CO-ADD:0304961,12.6,N(C(=O)\C(\S1)=C/c2ccc(cc2OCC)OCC)=C1N3CCCC(C)C3,0.0
11292,CO-ADD:0304985,12.6,C(C(=O)c1ccc(cc1)Cl)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2C)=O,0.0
11293,CO-ADD:0300670,12.6,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(cc5OC)OC)cccc4,0.0
11294,CO-ADD:0305302,12.6,C(O)(c1cccc(C)c1)(c2cccc(C)c2)C(=O)NNC(C)c3cccc(C)c3,0.0
11295,CO-ADD:0304754,12.6,c12c(C(N(C)C(=O)N1C)=O)n(c(SCc(cc3)ccc3F)n2)Cc4cccc(Cl)c4,0.0
11296,CO-ADD:0303641,12.6,[N+](=O)([O-])c(ccc(n1)NCCOc2cccc(C)c2)c1,0.0
11297,CO-ADD:0302656,12.6,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Nc3ccccc3C)n1c4ccccc4C,0.0
11298,CO-ADD:0301671,12.6,C1(c2ccccc2[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(ccc(c34)OCO3)c4,0.0
11299,CO-ADD:0302706,12.6,c(c1c2ccccc2)(C3c4ccccc4C(F)(F)F)c([nH]n1)OC(N)=C3C#N,0.0
11300,CO-ADD:0304077,12.6,C(c1c2cccc1)(=C3N)c(c(NC3=O)ccc4Cl)c4C2=O,0.0
11301,CO-ADD:0302158,12.6,C1(C(=O)OCc2ccccc2)=C(C)NC(=O)CC1c(cc3)ccc3[N+](=O)[O-],0.0
11302,CO-ADD:0306195,12.6,c1(C(=O)c2cccs2)cn(nc1C(C)=O)c(cc3)ccc3[N+](=O)[O-],0.0
11303,CO-ADD:0312529,12.6,c1(ccc(C)cc1)S(N2C[C@](O[C@@]3(Br)C4)(C=C3)[C@@H]4C2)(=O)=O,0.0
11304,CO-ADD:0305474,12.59,c(c(C)c(s1)C)(C2=O)c1N=C(SCc(cc3)ccc3OC)N2c4ccccc4,0.0
11305,CO-ADD:0307590,12.59,C12=C(Oc3c(ccc(c3)OC(C)=O)C1c4ccccc4)N=C(C)NC2=O,0.0
11306,CO-ADD:0306752,12.59,C1(C(OC)=O)=C(C)NC(=C2C1c3c(Cl)ccc(c3)[N+](=O)[O-])CCCC2=O,0.0
11307,CO-ADD:0305787,12.59,c([N+](=O)[O-])(nn(c1C(=O)Nc2sc(c(C)c2C(OCC)=O)C)Cc3ccccc3)c1,0.0
11308,CO-ADD:0318697,12.59,c1(C2c3ccco3)c([nH]nc1c4ccc(cc4)F)OC(N)=C2C#N,0.0
11309,CO-ADD:0326683,12.59,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc4n(c5ccccc5)ncc4C(OCC)=O)n2,0.0
11310,CO-ADD:0329982,12.59,n1(CC=C)c(SCc(ccc(c2n3)no3)c2)nnc1c(cccn4)c4,0.0
11311,CO-ADD:0326603,12.59,C(F)(F)(F)c1cccc(c1)NC(CSC2=NCCN2)=O.Cl,0.0
11312,CO-ADD:0326731,12.59,N1C(=O)C=C(N=C1SCC(=O)Nc2c(Cl)cc(cc2Cl)Cl)C,0.0
11313,CO-ADD:0304585,12.59,c12c(ccc(c1)[N+](=O)[O-])N=CN(C)C2=O,0.0
11314,CO-ADD:0326805,12.59,n12c(c(c(c3ccc(cc3)Cl)c1C(=S)Nc(cc4)ccc4Cl)CCCC5)n5c(c6ccc(cc6)C)n2,0.0
11315,CO-ADD:0326230,12.59,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3Br)\NC(c4ccccc4)=O)c1C,0.0
11316,CO-ADD:0326862,12.59,C1(c(cc2)ccc2C(F)(F)F)(Nc(c3N1S(=O)(=O)c4ccc(c(OC)c4)Cl)cccc3)OS(=O)(=O)c5ccc(c(OC)c5)Cl,0.0
11317,CO-ADD:0304601,12.59,c1(OCc2ccccc2Br)c(OC)cc(cc1Br)C=O,0.0
11318,CO-ADD:0326535,12.59,N12C(=NCC1)SC=C2c3ccc(cc3)OCC,0.0
11319,CO-ADD:0323351,12.59,N1(c(cccc2C(F)(F)F)c2)C(=O)C(N(CCc3ccccc3F)C1=S)CC(=O)Nc(cc4)ccc4OCC,0.0
11320,CO-ADD:0323199,12.59,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CCOC(CC(CC3C4)CC45)(C5)C3)C(C)=O)C1=O,0.0
11321,CO-ADD:0323231,12.59,S(=O)(=O)(N(C)c1ccccc1)c2ccc(c3c2cccn3)OC,0.0
11322,CO-ADD:0323155,12.58,c1(N2CCCCC2)nc(OC)nc(N=[N+]=[N-])n1,0.0
11323,CO-ADD:0323171,12.58,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(c(ccc(c4Cl)Cl)c4)cc(n1)C(F)(F)F,0.0
11324,CO-ADD:0323491,12.58,N1C(=O)C=C(N=C1SCC(=O)Nc(cc2)ccc2Br)C,0.0
11325,CO-ADD:0323211,12.58,N1(C(=O)CSc2nsc(SCC(=O)N3c4c(cccc4)Sc(ccc(Cl)c5)c35)c2C#N)c6c(cccc6)Sc(ccc(Cl)c7)c17,0.0
11326,CO-ADD:0321216,12.58,c1(SCc2[nH]c(c3n2)cccc3)c4c(cccc4)nc(C)n1,0.0
11327,CO-ADD:0324715,12.58,C(F)(F)(C(F)F)Oc(cccc1C(=O)NC(=O)Nc2cc([nH]n2)C)c1,0.0
11328,CO-ADD:0323982,12.58,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c2ccc(cc2)Cl,0.0
11329,CO-ADD:0323998,12.58,S(NCCOC(C1)(CC(C2)CC3CC12)C3)(=O)(=O)c4ccc(c(Cl)c4OC)Cl,0.0
11330,CO-ADD:0323248,12.58,c1(c2N)c(nc(C)c(Cl)c1C)sc2C#N,0.0
11331,CO-ADD:0324915,12.58,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c3cccc(F)c3F)c2C,0.0
11332,CO-ADD:0324748,12.58,n1(CC(=O)N(CC)C2(CCCCC2)C(=O)Nc3ccccc3)nnnc1N,0.0
11333,CO-ADD:0320044,12.58,c1(C(F)(F)F)nnc(SCC(=O)Nc(cc2)ccc2C(OC)=O)n1N,0.0
11334,CO-ADD:0320652,12.58,n1(CC(=O)N(CC(C)C)C2(CCCCC2)C(=O)Nc3ccccc3C)nnnc1N,0.0
11335,CO-ADD:0320692,12.58,C(=N/c(cc1)ccc1OC(F)(Cl)F)(/SC(C(=O)Nc2ccc(cc2C)C)CC3=O)\N3CC,0.0
11336,CO-ADD:0323019,12.58,c(C(OCC)=O)(c1Cl)nc(c(Cl)c1Sc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)Cl,0.0
11337,CO-ADD:0324164,12.58,s1c(Cc(ccc(c2OCC)OCC)c2)nnc1N,0.0
11338,CO-ADD:0324182,12.58,[nH]1c2c(c(CCNC(=O)c3ccccc3OC)c1C)cccc2CC,0.0
11339,CO-ADD:0323072,12.58,S(c1ccccc1)(=O)(=O)\N=C(/c2ccccc2)\Nc(cc3)ccc3N(C)C,0.0
11340,CO-ADD:0324688,12.58,C12(c3c(cccc3)C(C(C1C4=O)C(N4CCN(C)C)=O)c(cccc5)c25)[N+](=O)[O-],0.0
11341,CO-ADD:0319072,12.57,c12c(n(cn1)CC(O)C\N=C\N3CCCCC3)C(N(C)C(=O)N2C)=O,0.0
11342,CO-ADD:0321159,12.57,N1(C2=N)C(C=C(C)C=C1)=NC(C(Cl)(F)F)=C2C#N,0.0
11343,CO-ADD:0319414,12.57,c(CN(c1ccccc1)C(CCC(O)=O)=O)(c(C)[nH]c2C(OCC)=O)c2C,0.0
11344,CO-ADD:0318906,12.57,C(=O)(C(c1ccccc1)N(CCC)C(=O)c(cc2)ccc2n3cnnn3)Nc4c(C)cccc4C,0.0
11345,CO-ADD:0318710,12.57,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC)CC)n2)CC(=O)c3ccc(cc3)OC,0.0
11346,CO-ADD:0326500,12.57,C(C#N)(C(c(cccc1[N+](=O)[O-])c1)C2=C(N3c4ccccc4F)CCCC2=O)=C3N,0.0
11347,CO-ADD:0326156,12.57,C(=N/OCc1ccc(cc1Cl)F)(/C(C)=Nc(c23)cccc2)\C(C)=N3,0.0
11348,CO-ADD:0326420,12.57,C1(c2ccc(cc2)Cl)(OC(C3(C)C)=O)C3OC(=O)C1(C)C,0.0
11349,CO-ADD:0326236,12.57,[N+](=O)([O-])c(cccc1\C=C(\C(NCCc(c2c([nH]3)cccc2)c3C)=O)/NC(=O)c4cccc(Br)c4)c1,0.0
11350,CO-ADD:0326756,12.57,c1(C(=O)c2ccco2)cn(nc1C(OCC)=O)c3cccc(Cl)c3,0.0
11351,CO-ADD:0326676,12.57,C1(=O)Nc2c(Oc(cc(cc3Oc4cccc(Cl)c4Cl)[N+](=O)[O-])c13)ccc(Cl)c2,0.0
11352,CO-ADD:0326437,12.57,N1(C(C)=O)\C(=C\c2cc3c(nc2N4CCCCC4)ccc(C)c3)\C(NC1=S)=O,0.0
11353,CO-ADD:0326063,12.57,[n+]1(cnn2Cc3ccc(cc3Cl)Cl)c2c(cc(C)n1)[S-],0.0
11354,CO-ADD:0304562,12.57,C1(C(=O)OC(C)CC)=C(C)NC(=O)NC1c(cc2)ccc2C(F)(F)F,0.0
11355,CO-ADD:0326447,12.57,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)NC4CC4)n2,0.0
11356,CO-ADD:0326103,12.57,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(\SC1=S)=C/c3ccc(cc3OC)OC,0.0
11357,CO-ADD:0319121,12.57,S(=O)(=O)(N(C)C)c(cc1)ccc1C(=O)Nc2ccccn2,0.0
11358,CO-ADD:0319218,12.57,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(NCCOc(cc2)ccc2OC)=O)c1,0.0
11359,CO-ADD:0323168,12.57,c(N1CCCCC1C)(nc(Cl)nc2N3CCCCC3C)n2,0.0
11360,CO-ADD:0323240,12.57,n1(C(N)=S)c(C)cc(C)n1,0.0
11361,CO-ADD:0319038,12.56,N1(CC(=O)Nc2ccc(cc2C)Br)C(=O)c(c3C1=O)cccc3,0.0
11362,CO-ADD:0324451,12.56,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4ccc(cc4)OC,0.0
11363,CO-ADD:0324755,12.56,N1(C2(CCCCC2)C(=O)Nc(cc3)ccc3OC)C(c4ccc(cc4)OC(C)C)CC1=O,0.0
11364,CO-ADD:0324491,12.56,n1c(CCNC(=O)c(cc2)ccc2C(=O)N(C3CCCCC3)C4CCCCC4)scc1c5ccccc5,0.0
11365,CO-ADD:0324494,12.56,C(NCCc(ccc(c1OCC)OCC)c1)(=O)N(c2ccccc2)c3ccccc3,0.0
11366,CO-ADD:0322999,12.56,n1(CC(=O)N(Cc2ccccc2)C3(CCCCC3)C(=O)Nc(cc4)ccc4OC)nnnc1N,0.0
11367,CO-ADD:0320301,12.56,C12(CC(CC3C1)CC(C3)C2)N(CC4)CCN4C(=O)c5ccco5,0.0
11368,CO-ADD:0320472,12.56,n1(C)c(SCc2c(cccc2[N+](=O)[O-])Cl)nnc1c3ccccc3,0.0
11369,CO-ADD:0318735,12.56,[N+](=O)([O-])c(cccc1C(=O)N\C(=C\c2ccco2)\C(=O)Nc(cc3)ccc3C)c1,0.0
11370,CO-ADD:0329705,12.56,N1(OC(=O)c(cc2OC)cc(c2OC)OC)C(=O)c(c3C1=O)cccc3,0.0
11371,CO-ADD:0329713,12.56,c1(nc(c2cccc(OC)c2)cc3C(F)(F)F)n3ncc1C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
11372,CO-ADD:0326158,12.55,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3,0.0
11373,CO-ADD:0328803,12.55,C(=N/NC(=O)CC(=O)NC(C)(C)Cc(cc1)ccc1O)(/c2c(N3)ccc(Br)c2)\C3=O,0.0
11374,CO-ADD:0328819,12.55,c(c(Cl)c1)(n2cccc2)ncc1C(F)(F)F,0.0
11375,CO-ADD:0304724,12.55,o(c(SCC1(c2ccccc2)OCCO1)nn3)c3c4ccccc4,0.0
11376,CO-ADD:0330012,12.55,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)F)NC3=C1C(=O)NC(N3CC(C)C)=O,0.0
11377,CO-ADD:0321133,12.55,c12c(cccc1N3CCC(CC3)C)C(=O)c(c4C2=O)cccc4,0.0
11378,CO-ADD:0320917,12.55,c1(nn(cn1)CC(NCCO)=O)[N+](=O)[O-],0.0
11379,CO-ADD:0321447,12.55,c1(c(C)ccc(nsn2)c12)S(NCCOC(CC(CC3C4)CC45)(C5)C3)(=O)=O,0.0
11380,CO-ADD:0320927,12.55,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCCC(CC(CC3C4)CC45)(C5)C3,0.0
11381,CO-ADD:0324636,12.55,C1(CC(OC12CCCCC2)=O)C(N([H])CC)=O,0.0
11382,CO-ADD:0324780,12.55,c1(C(OC)=O)oc(c2c1NC(Cc(ccc(c3OCC)OCC)c3)=O)ccc(Br)c2,0.0
11383,CO-ADD:0321298,12.55,C1(\C(=N\c(cc2)ccc2OCCC)\SS3)=C3C(Nc4c1cc(C)cc4C)(C)C,0.0
11384,CO-ADD:0321338,12.55,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(c(cccc3)c3n4CCOc5ccccc5OC)c4)\C2=N,0.0
11385,CO-ADD:0324207,12.55,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(NC1c3ccc(c(Br)c3)F)=O,0.0
11386,CO-ADD:0323799,12.55,S(=O)(=O)(Oc1ccccc1Cl)NC(=O)Nc(cc2)ccc2OC(F)(F)Cl,0.0
11387,CO-ADD:0323917,12.55,c12c(ccc(C(=O)Nc3cccc(C)c3)c1SCCO)C(=O)c(c4C2=O)cccc4,0.0
11388,CO-ADD:0324363,12.55,N1C(C)(C)CC(CC1(C)C)NCc2ccccc2.Cl.Cl,0.0
11389,CO-ADD:0319424,12.55,C1(=C[N-]c2n(ncn2)C1Cc(cc3)c(C)c[n+]3C)[N+](=O)[O-],0.0
11390,CO-ADD:0324033,12.55,c1(SCC(=O)NC2CCCCCC2)sc(c3n1)ccc(Cl)c3,0.0
11391,CO-ADD:0320828,12.55,[N+](=O)([O-])c1cccc(c1)n2cccc2,0.0
11392,CO-ADD:0319161,12.55,C1(C2c3ccc(cc3OC)OC)=C(NCCN=C1c4ccccc4)C(N2c5ccccc5)=O,0.0
11393,CO-ADD:0319209,12.55,c([N+](=O)[O-])(nn(c1C(=O)Nc2sc(c(C)c2C(OCC)=O)C(OCC)=O)Cc3ccccc3)c1,0.0
11394,CO-ADD:0319335,12.54,[N+](=O)([O-])c1c(ccc(C(C)=O)c1)SCC(=O)Nc2ccccc2,0.0
11395,CO-ADD:0318774,12.54,c1(SC(C)C(=O)NC(c2ccccc2)c3ccccc3)n(C)c4c(cccc4)n1,0.0
11396,CO-ADD:0318742,12.54,C1(C(=O)Nc(cccn2)c2)CC1c3ccccc3,0.0
11397,CO-ADD:0329906,12.54,C(=O)(Nc(cc(cc1C(O)=O)C(O)=O)c1)c2ccccc2N,0.0
11398,CO-ADD:0329978,12.54,N1(c2cccc(cccc3)c23)C(=S)NN=C1c4ccco4,0.0
11399,CO-ADD:0326848,12.54,S1(=O)(=O)c2c(c3N1CC(=O)Nc(cc4)ccc4OC(F)(F)Cl)c(ccc2)ccc3,0.0
11400,CO-ADD:0326288,12.54,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc(ccc(c4OCC)OCC)c4)C56CC7CC(CC(C7)C5)C6,0.0
11401,CO-ADD:0329635,12.54,c1(\C(\CCC2)=N\OCc(cc3)ccc3C(OC)=O)c2non1,0.0
11402,CO-ADD:0329987,12.54,C1(=O)N(CCCCCCCCCC)c2c(Oc(cc(cc3[N+](=O)[O-])Oc4ccccc4)c13)cccc2,0.0
11403,CO-ADD:0323073,12.54,S(=O)(=O)(c1ccc(cc1)C)\N=C(/c2ccc(cc2)Cl)\Nc(ccc(c3C(O)=O)O)c3,0.0
11404,CO-ADD:0323061,12.54,c1(cccc2c1oc(n2)C)C(=O)Oc(cc3)ccc3C,0.0
11405,CO-ADD:0318847,12.54,C(C(=O)c1ccc(cc1)Cl)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2Cc(cccn4)c4)=O,0.0
11406,CO-ADD:0324640,12.54,C1(CC(OC12CCCCC2)=O)C(N([H])CCc3ccccc3)=O,0.0
11407,CO-ADD:0324800,12.54,n(c(S)nc(c1CC(O)=O)C)c1O,0.0
11408,CO-ADD:0324665,12.54,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c(cc3)ccc3C(C)C,0.0
11409,CO-ADD:0324489,12.53,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc(cc4)ccc4OC(F)(F)F)n2,0.0
11410,CO-ADD:0323862,12.53,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5ccc(c(cccc6)c56)OC,0.0
11411,CO-ADD:0321367,12.53,c(C(=O)Nc(cc1)ccc1S(=O)(=O)Nc2nc(C)cc(C)n2)(c3N)sc4c3cc(c5n4)CCCCC5,0.0
11412,CO-ADD:0324436,12.53,n1(CC=C)c(SCC(=O)Nc(ccc(c2Cl)OC)c2)nnc1c(cccn3)c3,0.0
11413,CO-ADD:0324246,12.53,c12c(CCNC1c3ccc(cc3)CC)cc(c(OC)c2)OCC,0.0
11414,CO-ADD:0324095,12.53,c12c(c(c(C)s1)C)c(nc(SCC(OC)=O)n2)O,0.0
11415,CO-ADD:0324407,12.53,C(C#N)(C1=O)=C(c2ccccc2)N=C(SCc(nc(N)nc3N4CCCCC4)n3)N1,0.0
11416,CO-ADD:0321464,12.53,c1(nc(NCCOC(C2)(CC3CC2CC4C3)C4)nc(OCC(F)(F)F)n1)n5c(C)cc(C)n5,0.0
11417,CO-ADD:0320928,12.53,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCCOC(CC(CC3C4)CC45)(C5)C3,0.0
11418,CO-ADD:0324040,12.53,c1(c(F)cc(c(Cl)c1)C#N)N(CC2)CCO2,0.0
11419,CO-ADD:0319529,12.53,C12(C)N(CCN1)C(OC2(C)C3CC(CC34)C=C4)=O,0.0
11420,CO-ADD:0319960,12.53,c1(c2ccc(cc2Cl)Cl)nnc(SCC(c3ccccc3)=O)o1,0.0
11421,CO-ADD:0320000,12.53,S(=O)(=O)(NC1CC1)c2ccc(c3c2cccn3)OC,0.0
11422,CO-ADD:0320529,12.53,N1(CCc(c2c([nH]3)cccc2)c3C)C(C)(O)C(OC1=O)(C)CC,0.0
11423,CO-ADD:0326712,12.52,C(=S)(NC(CC1(C)C)CC(N1)(C)C)Nc2ccc(cc2C)C,0.0
11424,CO-ADD:0326769,12.52,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(c(Br)c4)C)c5ccc(cc5)Cl,0.0
11425,CO-ADD:0328117,12.52,C1(C(=O)NCc(ccc2C(OCC)=O)o2)=Cc(cccc3OC)c3OC1=O,0.0
11426,CO-ADD:0329676,12.52,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
11427,CO-ADD:0326266,12.52,[nH]1c(cccc2)c2c(CCNCc(cc3)ccc3N(CC)CC)c1C,0.0
11428,CO-ADD:0326738,12.52,n1(n2)c(nc(cc1C(F)(F)Cl)c3ccco3)cc2C(=O)N4CCc(cccc5)c45,0.0
11429,CO-ADD:0326650,12.52,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc4sc(c(C)c4C(OCC)=O)C)n2,0.0
11430,CO-ADD:0323029,12.52,n(c(F)cc(n1)F)c1NCCC(O)=O,0.0
11431,CO-ADD:0320128,12.52,N(CC1)(CCN1CC#N)CC(=O)c2ccc(cc2)Br,0.0
11432,CO-ADD:0320720,12.52,c1(NC(=O)c2ccccc2F)n(c3ccccc3)ncc1C(=O)Nc4ccc(cc4OC)OC,0.0
11433,CO-ADD:0324801,12.52,C(=O)(C(CC1)(CCO1)c2ccccc2)Nc3c(cccc3Cl)Cl,0.0
11434,CO-ADD:0321270,12.52,c(SC(N(CC)CC)=S)(c(Cl)c1SC(N(CC)CC)=S)nc(c1C(F)(F)F)Cl,0.0
11435,CO-ADD:0321559,12.52,N(C(=O)C=C(N1)N)=C1SCC(=O)Nc(cc2)ccc2Cl,0.0
11436,CO-ADD:0324117,12.52,C(OC)(F)(C(F)(F)F)C(=O)Nc1sc(c2n1)cccc2,0.0
11437,CO-ADD:0324094,12.52,c12c(c(c(C)s1)C)c(nc(SCc(cc3)ccc3[N+](=O)[O-])n2)O,0.0
11438,CO-ADD:0324815,12.52,C(=O)(NC(C)(C)C#C)CC(OCC)=O,0.0
11439,CO-ADD:0324385,12.52,c1(N2)n(nc(SC)n1)C(C3=C2CC(C)(C)CC3=O)c4ccc(cc4)Cl,0.0
11440,CO-ADD:0324417,12.52,c1(N2CCC(CC2)C)nc(N\N=C\c3c[nH]nc3c4ccc(cc4)F)nc(Nc5cccc(C)c5C)n1,0.0
11441,CO-ADD:0324072,12.52,c1(N(CC(CC2C(N34)=CC=CC3=O)C4)C2)nc(Cl)nc(NCC=C)n1,0.0
11442,CO-ADD:0320883,12.52,c12c(nnc(SCC(O)=O)n1)c(c3n2C(C)C)cccc3,0.0
11443,CO-ADD:0320925,12.52,N1(c2ccc(cc2)C)C(=O)c3c(NC1c4sccc4C)cccc3,0.0
11444,CO-ADD:0319399,12.52,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)[nH]c(c3n1)cccc3,0.0
11445,CO-ADD:0328917,12.51,S1(=O)(=O)c2c(c3N1CC(N)=O)c(ccc2)ccc3,0.0
11446,CO-ADD:0328886,12.51,C1(=S)N(NC(=O)c2cccc(F)c2)C(C(=O)N1c3ccc(cc3)OC)CC(=O)Nc(cc4)ccc4OC,0.0
11447,CO-ADD:0325972,12.51,c1(NC(=O)C2CC(OC23CCCCC3)=O)sc(c4c1C(OCC)=O)CCCCC4,0.0
11448,CO-ADD:0326762,12.51,c1(C(=O)c2ccco2)cn(nc1C(=O)c3sc(c4n3)cccc4)c5ccccc5,0.0
11449,CO-ADD:0328871,12.51,c1(C(OCC)=O)nn(c(cc(cc2S(=O)(=O)Cc3ccccc3)[N+](=O)[O-])c12)c4ccccc4,0.0
11450,CO-ADD:0328903,12.51,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3F)n2)Cc(ccc(c4OCC)OCC)c4,0.0
11451,CO-ADD:0318905,12.51,n1(c(cc2)ccc2C(=O)NC(c3ccc(cc3Cl)Cl)C(=O)Nc4c(C)cccc4C)cnnn1,0.0
11452,CO-ADD:0318665,12.51,[nH]1c2c(nc1SCC(=O)NCc(ccc(c34)OCO3)c4)cccn2,0.0
11453,CO-ADD:0320736,12.51,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(C)o5,0.0
11454,CO-ADD:0320944,12.51,n(c1ccc(cc1[N+](=O)[O-])C(F)(F)F)(nnc2C(OC)=O)c2COC,0.0
11455,CO-ADD:0321289,12.51,C1(=O)Nc2c(C(=C)N1CC)cc(C)cc2C,0.0
11456,CO-ADD:0321299,12.51,C1(\C(=N\c2ccccc2OCCC)\SS3)=C3C(Nc(cc(C)c(C)c4)c14)(C)C,0.0
11457,CO-ADD:0324100,12.51,c12c(c(c(C)s1)C)c(nc(SCC(OCC)=O)n2)O,0.0
11458,CO-ADD:0324108,12.51,c1(NC(=O)c(cccc2[N+](=O)[O-])c2C)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
11459,CO-ADD:0321568,12.51,c12c([nH]nc1c3ccc(Cl)s3)OC(=C(C#N)C24c5c(NC4=O)cccc5)N,0.0
11460,CO-ADD:0323891,12.51,C1(C(F)(F)F)(C(F)(F)F)NC(C(Cl)C12)C(C2)OCC,0.0
11461,CO-ADD:0323692,12.5,c1(nc(C)cc(C)n1)N\C(\N)=N\OCC,0.0
11462,CO-ADD:0321052,12.5,c1(Sc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)c(Cl)c(Cl)nc(Cl)c1Cl,0.0
11463,CO-ADD:0323886,12.5,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2C(c3c(cccc3)C(N4)Nc(ccc(c56)OCO5)c6)=N4)c2,0.0
11464,CO-ADD:0319997,12.5,S(=O)(=O)(NCc1ccccc1)c2ccc(c3c2cccn3)OC,0.0
11465,CO-ADD:0319396,12.5,C(=S)(Nc1ccccc1)NNC(COc(cc2)ccc2C(C)(C)C)=O,0.0
11466,CO-ADD:0318973,12.5,N1(CC(O)COc(cc2)ccc2C)C(=O)c3c(cccc3)C1=O,0.0
11467,CO-ADD:0319590,12.5,C12=C(CCCC1=O)Nc(c3C2c4ccc(c(OCC)c4)O)ccc5c3cccn5,0.0
11468,CO-ADD:0319535,12.5,N1(CC(=O)[O-])C(C)(O)C2(OC1=O)CCCCC2,0.0
11469,CO-ADD:0319913,12.5,c12c(n(cn1)CC(CNC=O)O)C(N(C)C(=O)N2C)=O,0.0
11470,CO-ADD:0327487,12.5,S1(=O)(=O)c2c(c3N1CC(=O)N\N=C\c(cc(OCO4)c4c5)c5Br)c(ccc2)ccc3,0.0
11471,CO-ADD:0327128,12.5,C1(c2ccccc2)(Nc(cc3)ccc3CC(OCC)=O)C(=O)c(c4C1=O)cccc4,0.0
11472,CO-ADD:0327416,12.5,c1(c2ccccc2F)nnn(CC(N)=O)n1,0.0
11473,CO-ADD:0328984,12.5,[N+](=O)([O-])c(cccc1C(=O)N(CC2)CCN2c3ccc(c(Cl)c3)C)c1,0.0
11474,CO-ADD:0327481,12.5,c1(N(C)C2=O)c(n(cn1)Cc3ccccc3)C(N2Cc4cccc(Br)c4)=O,0.0
11475,CO-ADD:0327170,12.5,C(C(c1ccccc1)=O)(C2c3ccc(cc3)OCC)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
11476,CO-ADD:0318833,12.5,C1(NC(=O)c2ccccc2OCC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
11477,CO-ADD:0318745,12.5,[N+](=O)([O-])c1ccc(cc1)OCC(=O)Nc(cccn2)c2,0.0
11478,CO-ADD:0318858,12.5,c1(C2c3ccc(cc3)O)c([nH]nc1c4ccc(c(OC)c4)OCC)OC(N)=C2C#N,0.0
11479,CO-ADD:0324420,12.5,N1(c2ccc(cc2)OC(F)(F)F)C(=O)\C(\SC1=N)=C\c(ccc3c4cccc(Cl)c4)o3,0.0
11480,CO-ADD:0320990,12.49,n1(c2ccccc2)nnnc1SCC(=O)c3cccc(cccc4)c34,0.0
11481,CO-ADD:0323868,12.49,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c2c[nH]nc2c3ccc(cc3)F)F,0.0
11482,CO-ADD:0323499,12.49,[s+]1c(SCC(O)=O)c(sc1N2CCCCC2)C.[I-],0.0
11483,CO-ADD:0323757,12.49,C1(=C(C)NC(NC1=O)=O)S(=O)(=O)NCC(OC)=O,0.0
11484,CO-ADD:0323118,12.49,C(NCC(C1)(CC(CC12)CC3C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccc(cc4)Cl,0.0
11485,CO-ADD:0323158,12.49,c1(C2OCCO2)noc(cc(cc3SCc4ccco4)[N+](=O)[O-])c13,0.0
11486,CO-ADD:0323831,12.49,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3C)cc(c3OC)C,0.0
11487,CO-ADD:0324888,12.49,N1(C(=O)CSc(nn2)nc(c2c3ccccc3)c4ccccc4)c5c(cccc5)Sc(ccc(Cl)c6)c16,0.0
11488,CO-ADD:0320320,12.49,n1(c(cc2)ccc2C(NCCC(CC3(C)C)CC(N3)(C)C)=O)cnnn1,0.0
11489,CO-ADD:0320696,12.49,C(CSCc1cccc(Br)c1)(=O)Nc(ccc(c23)cccc2)c3,0.0
11490,CO-ADD:0319673,12.49,N(c1c(cccc1)NC(CC(c2ccccc2)CC3=O)=C34)(C(=O)Cc5ccccc5)C4c6cccs6,0.0
11491,CO-ADD:0319559,12.49,n1c(c2ccc(c(OC)c2)OC)nnn1CC(NCCc3ccccc3)=O,0.0
11492,CO-ADD:0319168,12.49,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/Nc3ccccc3C(OC)=O,0.0
11493,CO-ADD:0318869,12.49,N1(Cc2ccccc2)\C(=N/c(cc3)ccc3Cl)\SC(C(=O)Nc(cc4)ccc4C(O)=O)CC1=O,0.0
11494,CO-ADD:0321130,12.49,C1(=O)\C(\CCc2c1cccc2OC)=C\c3ccccc3,0.0
11495,CO-ADD:0319409,12.49,N1(CCNC(=O)c2ccnn2C)C(C)(O)C(OC1=O)(C)CC,0.0
11496,CO-ADD:0327403,12.49,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc4sc(c5c4C(OCC)=O)CCCCC5)n2,0.0
11497,CO-ADD:0327427,12.49,N1(C(c2ccc(cc2)C)SCC1C(O)=O)C(=O)c3cccc(Cl)c3,0.0
11498,CO-ADD:0325961,12.49,C(NCCOC(CC1CC2CC3C1)(C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccc(cc4)F,0.0
11499,CO-ADD:0327710,12.49,C(C)(C)(C(=O)OC(C12CCCCC1)c(cc3)ccc3[N+](=O)[O-])C2=O,0.0
11500,CO-ADD:0326161,12.49,n1(c2ccc(c(Cl)c2)F)nnnc1SCC(NCCc3ccccc3)=O,0.0
11501,CO-ADD:0326386,12.49,c1(c(Cl)c(Cl)c(nc1Cl)Cl)C(=O)Nc2ccccc2C(F)(F)F,0.0
11502,CO-ADD:0327375,12.49,c1(C(CC(N2)=O)c3ccc(c(F)c3)Cl)c2cc(C)c(C)c1,0.0
11503,CO-ADD:0318914,12.49,c1(C2c3ccc(c4c3)OCO4)c([nH]nc1c5ccc(cc5)Cl)OC(N)=C2C#N,0.0
11504,CO-ADD:0323177,12.49,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cc(OC)c(c4[N+](=O)[O-])O)c4,0.0
11505,CO-ADD:0323298,12.49,C1(C(OCCSCC)=O)=C(C)NC(NC1c2cccc(C)c2)=O,0.0
11506,CO-ADD:0323699,12.49,[N+](=O)([O-])c1cccc(c1)CNc2ccccc2C.Cl,0.0
11507,CO-ADD:0323739,12.48,S(=O)(=O)(c1ccc(cc1)OC)N2Cc(cccc3)c3CC2C(NCCc4ccccc4)=O,0.0
11508,CO-ADD:0323747,12.48,c1(C(OCC)=O)sc(c2c1NC(C)=O)cc(cc2SCc3ccccc3)[N+](=O)[O-],0.0
11509,CO-ADD:0324152,12.48,C(=C[N-]c1n2ncn1)([N+](=O)[O-])C2Cc(cc3)cc[n+]3C,0.0
11510,CO-ADD:0324224,12.48,C(CC(CC12)CC3C1)(C2)(C3)NC(=O)c4cccs4,0.0
11511,CO-ADD:0320049,12.48,c12c(n(c(SCc(nc(N)nc3N4CCCCC4)n3)n1)CCCC)C(N(C)C(=O)N2C)=O,0.0
11512,CO-ADD:0319659,12.48,C1(=C(CC(c2ccccc2)CC1=O)Nc(c3N4C(CCC(O)=O)=O)cccc3)C4c5cccc(OC)c5,0.0
11513,CO-ADD:0324908,12.48,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc(ccc(c4F)F)c4)n2,0.0
11514,CO-ADD:0321115,12.48,c1(NC(C2CCCCC2)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
11515,CO-ADD:0320019,12.48,n1(c2ccccc2)nnnc1SCC(=O)Nc(cccc3NC(=O)C45CC6CC(CC(C6)C4)C5)c3,0.0
11516,CO-ADD:0327758,12.48,C12=C(OC(C)=CC1=O)c3c(cccc3)OC2=O,0.0
11517,CO-ADD:0327390,12.48,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5ccc(c(OC)c5OC)OC)cccc4,0.0
11518,CO-ADD:0327238,12.48,N1(Cc2ccco2)C(=O)\C(\SC1=S)=C\c(cc3OC)cc(c3O)Cl,0.0
11519,CO-ADD:0327278,12.48,C(C(=O)NCc1ccccc1)(SC(N2C)=S)=C2N,0.0
11520,CO-ADD:0327215,12.48,c1(SCC(=O)Nc2c(C)cc(cc2C)C)n(C)c3c(cccc3)n1,0.0
11521,CO-ADD:0300762,12.48,N1C(CC(C)CC2(C)C)(C2)NN(CCO)C1=S,0.0
11522,CO-ADD:0305173,12.48,C(C(=O)OCc1ccccc1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccc(OCC)c4,0.0
11523,CO-ADD:0327336,12.48,C1(C(OCC)=O)=C(N)OC(CCCC2=O)=C2C1c3ccc(c(Cl)c3)Cl,0.0
11524,CO-ADD:0327752,12.48,c1(cnc(C)n1CC(=O)Nc(cc2)ccc2n3cnnn3)[N+](=O)[O-],0.0
11525,CO-ADD:0323346,12.48,C1(Nc2cc(C)ccc2[N+](=O)[O-])OC(C(O)C1O)CO,0.0
11526,CO-ADD:0323514,12.48,c1(cc(Br)ccc1OCc2ccccc2Cl)C(=O)Nc(cccn3)c3,0.0
11527,CO-ADD:0323226,12.48,c1(SC)c(ccc(CC(C)C)n1)CNC(=O)c(cc2OC)cc(c2OC)OC,0.0
11528,CO-ADD:0323141,12.48,c1(Oc2cccc(c2)NC(CCCC)=O)nc(C)c(c(C)c1C#N)Cl,0.0
11529,CO-ADD:0324351,12.47,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c(c(cccc3)c34)nnc4N(CC5)CCO5)c2,0.0
11530,CO-ADD:0320578,12.47,[C@]12([H])[C@@]([H])(CCCC1)NCCC2=O,0.0
11531,CO-ADD:0320555,12.47,[nH]1c(C)c(c(cc(C)cc2C)c12)CCN,0.0
11532,CO-ADD:0319555,12.47,c12c(nnc(SCc(cccc3C(F)(F)F)c3)n1)c(c4n2C(C)C)cccc4,0.0
11533,CO-ADD:0328751,12.47,c1(c(C)cc(nc1Cl)Cl)C(=O)Nc2cc(C)ccc2C,0.0
11534,CO-ADD:0300819,12.47,C12=C(CCC(C)C1)Nc(c3C2=O)cccc3,0.0
11535,CO-ADD:0305166,12.47,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(Cl)c4)Cl,0.0
11536,CO-ADD:0300820,12.47,c1(sc(c2n1)cccc2)\C(\C#N)=C\c(ccc3c4ccc(cc4Cl)Cl)o3,0.0
11537,CO-ADD:0328697,12.47,c(c(C)[nH]c1C(OCC)=O)(c2csc(NC(=O)C3CC3)n2)c1C,0.0
11538,CO-ADD:0328947,12.47,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)Nc(cccn2)c2)Cl)c1,0.0
11539,CO-ADD:0320492,12.47,C(=O)(c1ccc(cc1)Oc2ccccc2)Nc3cccc(N(C)C)c3,0.0
11540,CO-ADD:0320445,12.47,c1(c2ccccc2Cl)nnn(CC(=O)Nc(cccc3C(F)(F)F)c3)n1,0.0
11541,CO-ADD:0323564,12.47,c1(cc(C)c(cc1N2CCCC2)NC(=S)NC(=O)c3ccccc3Cl)[N+](=O)[O-],0.0
11542,CO-ADD:0323276,12.47,C(=N/OCc1cccc(Cl)c1)(/C(C)=Nc2c3cccc2)\C(C)=N3,0.0
11543,CO-ADD:0324639,12.47,C1(CC(OC12CCCCC2)=O)C(=O)N([H])C(C)(C)C,0.0
11544,CO-ADD:0323952,12.47,S(=O)(=O)(N(CC1)CCO1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(=O)Nc(cc5)ccc5OCC(OC)=O)=O)=N4)c2,0.0
11545,CO-ADD:0324441,12.47,S(=O)(=O)(c1ccc(c(OC)c1)OC)NC(CC)C23CC4CC(CC(C4)C2)C3,0.0
11546,CO-ADD:0319138,12.47,S(=O)(=O)(NC(C)(C)CC(C)(C)C)c(ccc(c1[N+](=O)[O-])C)c1,0.0
11547,CO-ADD:0323663,12.47,c1(noc(CCc(cc2)ccc2OC)n1)c3nonc3N,0.0
11548,CO-ADD:0324096,12.47,c1(c(C)nc2n1cccn2)c3csc(Nc4cccc(Cl)c4C)n3,0.0
11549,CO-ADD:0324346,12.46,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5O)c2,0.0
11550,CO-ADD:0324834,12.46,N1(N=C(S2)CCCCCCC)C2=NC(=O)\C(=C/c(cc3)ccc3N(C)C)\C1=N,0.0
11551,CO-ADD:0318990,12.46,c1(O)c(C)cc(cc1C)CN(CC2)CCN2Cc(cc3C)cc(c3O)C,0.0
11552,CO-ADD:0321151,12.46,N1c(ccc(c23)cccc2)c3C4C(CC=C4)C1c5ccc(cc5OC(C)=O)OC(C)=O,0.0
11553,CO-ADD:0319940,12.46,c1(C2c3c(cccc3F)Cl)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
11554,CO-ADD:0320020,12.46,n1(c2ccccc2)nnnc1SCC(=O)Nc3ncccn3,0.0
11555,CO-ADD:0318948,12.46,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCO)c4ccc(cc4)Br,0.0
11556,CO-ADD:0328671,12.46,C1(S)=C(C#N)C(=O)NC(C)(C)N1c2ccccc2,0.0
11557,CO-ADD:0328815,12.46,S1(CCC(C1)OC(=O)NC(=O)c(cccc2C(F)(F)F)c2)(=O)=O,0.0
11558,CO-ADD:0328472,12.46,c1(c(nc(C)c(C(C)=O)c1c2c3c([nH]c2)cccc3)sc4C(N)=O)c4N,0.0
11559,CO-ADD:0328536,12.46,N1(c2cccc(Cl)c2)C(=O)C(Cc(cc3)ccc3OC)C(NC1=O)=O,0.0
11560,CO-ADD:0304579,12.46,S(=O)(=O)(Nc(cc1)ccc1C(O)(C(F)(F)F)C(F)(F)F)c2ccc(c3c2)cccc3,0.0
11561,CO-ADD:0328955,12.46,N(c(cc1)ccc1C(OCC)=O)(C(c2ccc(cc2)F)C=C3Nc(cc4)ccc4C(OCC)=O)C3=O,0.0
11562,CO-ADD:0305136,12.46,C(CC(C)(C)CC1=O)(Nc2ccccc2c3ccccc3)=C1,0.0
11563,CO-ADD:0305168,12.45,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2cccc(OCC)c2,0.0
11564,CO-ADD:0328443,12.45,S(C)(=O)(=O)NC(CC1(C)C)CC(N1O)(C)C.Cl,0.0
11565,CO-ADD:0328147,12.45,c1(NC(=O)c(cccc2S(=O)(=O)N(CC)CC)c2)sc(c3c1C#N)CC(CC3)C,0.0
11566,CO-ADD:0318916,12.45,c1(C#N)c(OC)cc(cc1S(=O)Cc2ccccc2)OC,0.0
11567,CO-ADD:0324542,12.45,C(=N/c(cc1)ccc1OC)(/SC(C(=O)Nc(cc2)ccc2OC(F)(F)Cl)CC3=O)\N3CCc(cc4)ccc4OC,0.0
11568,CO-ADD:0319747,12.45,N1(C(=O)\C(\SC1=N)=C\c(ccc2c3cc(Cl)ccc3OC)o2)c4nonc4NC(C)=O,0.0
11569,CO-ADD:0324539,12.45,S(=O)(=O)(C1)CC(C1CC(=O)Nc2ccccc2)CC(=O)Nc3ccccc3,0.0
11570,CO-ADD:0324374,12.45,N1(CCCC(=O)OC2CSCC2NC(c3ccccc3)=O)C(=O)c(c4C1=O)cccc4,0.0
11571,CO-ADD:0324418,12.45,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(c(C(N)=O)nn3c4ccccc4)n3)n2)Cc5ccccc5C,0.0
11572,CO-ADD:0323766,12.45,C(NCCC(CC(CC1C2)CC23)(C3)C1)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccc(cc4)OC,0.0
11573,CO-ADD:0321167,12.45,C(/Nc(cc1)ccc1OC)(\C(F)(Cl)F)=C(\C#N)/C#N,0.0
11574,CO-ADD:0321136,12.45,c12c(cccc1C(=O)N(C)C)C3C(C(c(cc4)ccc4[N+](=O)[O-])N2)CC=C3,0.0
11575,CO-ADD:0319015,12.45,C(=N/c1ccccc1)(/SC(C(=O)Nc2ccccc2F)CC3=O)\N3CCO,0.0
11576,CO-ADD:0320566,12.45,N1(CC=C)C(=S)NN=C1c2cccs2,0.0
11577,CO-ADD:0319000,12.45,c1(C(NCCc(cc2)ccc2Cl)=O)cc(F)c(cc1Cl)F,0.0
11578,CO-ADD:0319360,12.45,N1(C(N)=N)C(=O)CC(SC1=N)C(=O)Nc(cc2)ccc2OCC,0.0
11579,CO-ADD:0329145,12.44,C(C(OC)=O)(=CN(CCCN1CCCC1=O)C=C2C(OC)=O)C2c3cccc(F)c3,0.0
11580,CO-ADD:0328337,12.44,N1C(COc(ccc2C(=O)NCc3ccco3)c1c2)=O,0.0
11581,CO-ADD:0329020,12.44,S(=O)(=O)(c(cccc1C(=O)Nc(cccc2[N+](=O)[O-])c2)c1)N(CC3)CCN3C45CC6CC(CC(C6)C4)C5,0.0
11582,CO-ADD:0300772,12.44,c1(ccco1)\C=C\C(NCCOc(cc2)ccc2C)=O,0.0
11583,CO-ADD:0328444,12.44,N1(C)C(C)(C)CC(CC1(C)C)NC(=O)c2cc[nH]n2,0.0
11584,CO-ADD:0318668,12.44,c1(noc(c2ccc(cc2)COc3ccccc3Br)n1)c4nonc4N,0.0
11585,CO-ADD:0319067,12.44,c1(c2c(cs1)CCCC2)C(=O)Nc3ccccc3OCCCC,0.0
11586,CO-ADD:0323230,12.44,N(CC1)(CCN1CC(=O)Nc(ccc(c2Br)C)c2)c3ccccc3C,0.0
11587,CO-ADD:0323542,12.44,c12c(ccc(Br)c1)nc(c(CCCC)c2SCCC(O)=O)C,0.0
11588,CO-ADD:0323460,12.44,N1(c2ccc(c3c2)OCO3)C(=O)\C(\SC1=N)=C\c(cc4OC)cc(c4O)OC,0.0
11589,CO-ADD:0320287,12.44,c1(C(OC)=O)sc(c2c1NC(C)=O)cc(cc2Sc3ccccc3)[N+](=O)[O-],0.0
11590,CO-ADD:0319522,12.43,C1(c(cccc2)c2N3C(C)=O)(C(C#N)=C(N)Oc([nH]nc4c5ccccn5)c14)C3=O,0.0
11591,CO-ADD:0320898,12.43,c1(C(OCC)=O)c(Cl)nc(c(Cl)c1Nc(ccc(c23)OCO2)c3)Cl,0.0
11592,CO-ADD:0320446,12.43,C1(c(cccc2)c2N3C(C)=O)(C(C#N)=C(N)Oc([nH]n4)c1c4c(cc5)ccn5)C3=O,0.0
11593,CO-ADD:0328194,12.43,c1(c(O)c(C)c(c(NC(=O)c2ccc(cc2)Cl)c1)C)S(=O)(=O)c3ccc(cc3)OC,0.0
11594,CO-ADD:0328226,12.43,c1(c(C)c(cc(C(C)C)c1O)NS(=O)(=O)c2ccc(cc2)OC)S(=O)(=O)c3ccc(cc3)OC,0.0
11595,CO-ADD:0328084,12.43,c1(cc(F)c(cc1N(CC2)CCN2)N(CC3)CCN3C)[N+](=O)[O-],0.0
11596,CO-ADD:0300773,12.43,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(=O)Nc(c(OC)cc(c45)c6c(cccc6)o4)c5,0.0
11597,CO-ADD:0329566,12.43,C(=O)(NC(c1ccc(cc1)OC)CC(OCC)=O)c(cc2OC)cc(c2OC)OC,0.0
11598,CO-ADD:0327815,12.43,[C@H]1(C([C@H]2C1)(C)C)[C@H](CSC[C@H](N)C(=O)O)[C@@H](O)C2,0.0
11599,CO-ADD:0320724,12.43,C(C(OC)=O)(C(F)(F)F)(Nc1scc(C)n1)NC(=O)c2ccccc2OC,0.0
11600,CO-ADD:0320756,12.43,S(=O)(=O)(c1ccc(cc1)OC)N2CCc(c3C2C(O)=O)cccc3,0.0
11601,CO-ADD:0320764,12.43,c12c(C(N(C)C(=O)N1C)=O)nc(Oc(cc3)ccc3F)n2C(C)C,0.0
11602,CO-ADD:0323750,12.43,c1(C2OCCS2)c3c(n(c4ccccc4)n1)cc(cc3SCC(OC)=O)[N+](=O)[O-],0.0
11603,CO-ADD:0321510,12.43,n1(CC(=O)N(c2cccc(C)c2)C3(CCCCC3)C(=O)Nc4ccccc4)nnnc1N,0.0
11604,CO-ADD:0324817,12.43,C1(C)=CC(=O)Oc(ccc(c2)OC(=O)c3cccs3)c12,0.0
11605,CO-ADD:0323971,12.43,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4ccc(c(OC)c4)Cl,0.0
11606,CO-ADD:0321018,12.43,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc(c(ccc2C(F)(F)F)OCC(F)(F)F)c2,0.0
11607,CO-ADD:0321380,12.43,C(C(NCC=C)=O)#Cc1ccccc1,0.0
11608,CO-ADD:0320932,12.43,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)NCC(C)(C)CNC(=O)C(CC(N3c4ccc(cc4)CC)=O)C3,0.0
11609,CO-ADD:0320741,12.43,N1(c2ccc(c(C)c2)C)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccccc4,0.0
11610,CO-ADD:0319125,12.42,n1(C)c(S)nnc1c(cc2)ccc2C(C)(C)C,0.0
11611,CO-ADD:0318837,12.42,c1(NC(COc(cc2)ccc2[N+](=O)[O-])=O)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
11612,CO-ADD:0329162,12.42,C1(=O)C(C2CCCO2)CC(=O)N1c(cc3)ccc3C(OCC)=O,0.0
11613,CO-ADD:0328007,12.42,c(C(OCC)=O)(c1C)[nH]c(c1CNC2CCCCC2)C,0.0
11614,CO-ADD:0327895,12.42,S(NCCSc1nnnn1C)(=O)(=O)c2ccc(cc2)C,0.0
11615,CO-ADD:0327647,12.42,c1(C(O)=O)c(C)c(Cl)c(nc1Oc(cc2)ccc2F)C,0.0
11616,CO-ADD:0321401,12.42,C1(O)(c(cc(Br)cc2)c2N3C(C)=O)C3NC(=S)N1,0.0
11617,CO-ADD:0321417,12.42,[N+](=O)([O-])c(ccc(c1C(NCCC(CC2CC3CC4C2)(C4)C3)=O)Cl)c1,0.0
11618,CO-ADD:0320929,12.42,c(C(OCC)=O)(c(cc(O)c(c12)cccc1)c2n3CCOc4cccc(OC)c4)c3C,0.0
11619,CO-ADD:0320865,12.42,c12c(ncnc1N(CC3)CCO3)sc(CC4(c5ccccc5)C#N)c2CC4,0.0
11620,CO-ADD:0324189,12.42,[nH](c(ccc(c1)OCc2ccccc2)c1c3CCNC(=O)c4ccc(c(OC)c4)OC)c3C,0.0
11621,CO-ADD:0321005,12.42,N1(C(C)=O)\C(=C\c2cc3c(nc2N4CCCCC4)ccc(OC)c3)\C(NC1=S)=O,0.0
11622,CO-ADD:0323866,12.42,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(c(C(N)=O)nn3c4ccccc4)n3)n2)Cc5ccccc5Cl,0.0
11623,CO-ADD:0319772,12.42,N1(CCc(cccc2)c12)C(=O)COc(cc3)ccc3I,0.0
11624,CO-ADD:0323080,12.42,C(=O)(Nc(cc1)ccc1OC(F)(F)F)C(C(F)(F)F)C(F)(F)F,0.0
11625,CO-ADD:0321398,12.42,c12c(c(c3C1=O)cccc3)nc(ccc(cccc4)c45)c5c2c6ccc(cc6)OCc7ccccc7F,0.0
11626,CO-ADD:0321439,12.41,[N+](=O)([O-])c(cc1)cc(c1C(N)=O)SCC,0.0
11627,CO-ADD:0319881,12.41,n1c(N2CCCCC2)nc(nc1N(CC3)CCN3c4cccc(Cl)c4)Nc(cc5)ccc5OC(F)(F)Cl,0.0
11628,CO-ADD:0320601,12.41,c1(c[nH]nc1N)C(O)=O,0.0
11629,CO-ADD:0319370,12.41,c(C(=O)c1ccc(cc1)Cl)(sc(c23)nc(cc2c4ccccc4)C5CC5)c3N,0.0
11630,CO-ADD:0318880,12.41,C(=N/c1cccc(Cl)c1)(/SC(C(=O)Nc(cc2)ccc2OC)CC3=O)\N3C,0.0
11631,CO-ADD:0320505,12.41,C(=N/c(ccc(c1Cl)Cl)c1)(/SC(C(=O)Nc(cc2)ccc2OC(F)(F)Cl)CC3=O)\N3C,0.0
11632,CO-ADD:0327597,12.41,c1(C#N)c(C)c(C)c(nc1SCc2ccccc2Cl)C,0.0
11633,CO-ADD:0327998,12.41,N(C1)(C(C=C1c2ccc(cc2)OC)=CC(=C3C#N)C)C3=O,0.0
11634,CO-ADD:0328062,12.41,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4c(Cl)ccc(c4)[N+](=O)[O-],0.0
11635,CO-ADD:0327118,12.41,N1(CCN2CCCCC2)C(=O)CSC1c3ccc(cc3)OC,0.0
11636,CO-ADD:0327959,12.41,C(O)(C(F)(F)F)(C(F)(F)F)c1ccc(cc1O)OCC(OCC)=O,0.0
11637,CO-ADD:0301072,12.41,C(C)(C1CC)([N+](=O)[O-])C(N)=C(C1(C#N)C#N)C#N,0.0
11638,CO-ADD:0327800,12.41,c1(O)c(CN(C)C)c(Oc(c(CN(C)C)c(O)c(C\C=C(/C)\C)c2O)c2C3=O)c3c(C\C=C(/C)\C)c1OC,0.0
11639,CO-ADD:0327976,12.41,c1(sc(c(C)c1C(OC)=O)C)n2cnnn2,0.0
11640,CO-ADD:0319595,12.41,C12=C(CCCC1=O)Nc(c3C2c4ccccc4C(F)(F)F)ccc5c3cccn5,0.0
11641,CO-ADD:0319283,12.41,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])C)c1)Nc2ccccc2I,0.0
11642,CO-ADD:0324495,12.41,c1(NC(=O)C(C(F)(F)F)C(F)(F)F)sc(c(C)c1C(OCC)=O)c2ccccc2,0.0
11643,CO-ADD:0321268,12.41,n12c(cccc1Cl)nnc2c3ccc(cc3)OC,0.0
11644,CO-ADD:0319676,12.41,C1(C2c3ccc(cc3)OC(C)C)=C(CC(c4ccc(cc4)C)CC1=O)Nc(c5N2C(CCC(O)=O)=O)cccc5,0.0
11645,CO-ADD:0321411,12.41,c1(c(C)onc1c2ccccc2Cl)C(=O)N(CC3)CCN3C45CC6CC(CC(C6)C4)C5,0.0
11646,CO-ADD:0321446,12.41,c1(SCC(=O)NCC(C2)(C3)CC(CC3C4)CC24)sc(c5n1)ccc(Cl)c5,0.0
11647,CO-ADD:0320902,12.41,C(=O)(Nc1ccccc1)N2CCCC2C(NCCOc3ccccc3)=O,0.0
11648,CO-ADD:0321094,12.4,c1(NC(=O)c(cc2OC)cc(c2OC)OC)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
11649,CO-ADD:0319974,12.4,c1(C2c3cccc(O)c3)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
11650,CO-ADD:0318768,12.4,c1(SC(c2ccccc2)c3ccccc3)sc4c(ccc(OCC)c4)n1,0.0
11651,CO-ADD:0320450,12.4,S(=O)(=O)(N1CCC(CC1)C(OCC)=O)c2ccnc3c2cccc3OC,0.0
11652,CO-ADD:0318934,12.4,n1c(SCC(=O)N\N=C\c(cc2)ccc2OCc3ccccc3F)nnn1c4ccc(cc4)OC,0.0
11653,CO-ADD:0325947,12.4,c1(C2COc(c3O2)cccc3)csc(ncnc4Cl)c14,0.0
11654,CO-ADD:0327430,12.4,N1(c(cccc2C(F)(F)F)c2)C(c3ccc(c4c3)OCO4)C(C1=O)Oc5ccccc5,0.0
11655,CO-ADD:0326299,12.4,C1(=C(C)NC(NC1=O)=O)S(NCCc(c(cccc2)c2n3C)c3C)(=O)=O,0.0
11656,CO-ADD:0327688,12.4,c1(nonc1N)\C(\N)=N\OCc(cc2)ccc2C(OC)=O,0.0
11657,CO-ADD:0328937,12.4,C1(SC(=C2C(OC)=O)C(OC)=O)(S2)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)Nc4cccc(Cl)c4)(C)C)=C1c5c3cccc5,0.0
11658,CO-ADD:0319141,12.4,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccc(cc1)OC)N2CCCCC2c(cccn3)c3,0.0
11659,CO-ADD:0319589,12.4,c1(c2ccc(cc2)O)c3c(ccc(cccc4)c34)nc(CCC(C)C5)c15,0.0
11660,CO-ADD:0319582,12.4,c1(cc(c2ccccc2)nc(ccc3c4cccn3)c14)c(cc5OC)cc(c5OC)OC,0.0
11661,CO-ADD:0323879,12.4,N1(CC(=O)Nc(cc2)ccc2OCC(OC)=O)C(=O)c3c(C(C)=N1)cccc3,0.0
11662,CO-ADD:0323968,12.4,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4c(Cl)ccc(Cl)c4,0.0
11663,CO-ADD:0323194,12.4,N1(c2ccc(cc2)Br)C(=O)CC(N(C(C)=O)CC(O)c3ccccc3)C1=O,0.0
11664,CO-ADD:0324667,12.4,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3ccc(cc3)C,0.0
11665,CO-ADD:0323988,12.4,N1(CCCCCC(=O)OC2CSCC2NC(OC)=O)C(=O)c(c3C1=O)cccc3,0.0
11666,CO-ADD:0320612,12.39,C1([N+](=O)[O-])=C(NCc2ccccc2F)c3c(cccc3)OC1=O,0.0
11667,CO-ADD:0323810,12.39,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3c(C)cc(c(C)c3)OC,0.0
11668,CO-ADD:0324330,12.39,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2C(C)=O)nnc1c(cccn3)c3,0.0
11669,CO-ADD:0323856,12.39,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5ccc(c(Cl)c5OC)Cl,0.0
11670,CO-ADD:0319438,12.39,C(NCCOc1ccccc1)(=O)\C=C\c2ccccc2,0.0
11671,CO-ADD:0319574,12.39,c1(nonc1N)\C(\N)=N\OCc(cc(OCO2)c2c3)c3Cl,0.0
11672,CO-ADD:0320488,12.39,c1(n2)c(C(N(C)C(=O)N1C)=O)n(c23)CC(=NN3Cc4ccccc4)C56CC(CC7C5)CC(C7)C6,0.0
11673,CO-ADD:0318904,12.39,N(c1ccc(cc1)C)(C(=O)c(cc2)ccc2n3cnnn3)C4(CCCCC4)C(=O)Nc5ccccc5,0.0
11674,CO-ADD:0323164,12.39,c1(C2OCCO2)c3c(n(c4ccccc4)n1)cc(cc3SCc5ccco5)[N+](=O)[O-],0.0
11675,CO-ADD:0323196,12.39,N1(c2ccc(cc2)F)C(=O)CC(N(CC(C3)(C4)CC(C5)CC3CC45)C(C)=O)C1=O,0.0
11676,CO-ADD:0321323,12.39,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCCOc(cc4)ccc4C)c3)\C2=N,0.0
11677,CO-ADD:0321347,12.39,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc3c4cccc(Cl)c4)o3)\C2=N,0.0
11678,CO-ADD:0321539,12.39,c12c(C(c(cc3)ccc3[N+](=O)[O-])SCC(=O)N1)c(nn2c4ccccc4)c5ccccc5,0.0
11679,CO-ADD:0324877,12.39,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCCOc(ccc(c4C)C)c4)c3)\C2=N,0.0
11680,CO-ADD:0324885,12.39,c(C(F)(F)F)(c(Cl)c1Cl)c(Cl)nc1Nc(cc2)ccc2F,0.0
11681,CO-ADD:0324918,12.39,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3[N+](=O)[O-],0.0
11682,CO-ADD:0324340,12.39,S(=O)(=O)(NCc1ccccc1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5OC(F)(F)F)c2,0.0
11683,CO-ADD:0323964,12.39,S(NCCOC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4c(OC)cc(c(OC)c4)Cl,0.0
11684,CO-ADD:0311876,12.39,C(C)(C)(C(=O)OC(C12CCCCC1)c3ccc(cc3)OC)C2=O,0.0
11685,CO-ADD:0311167,12.39,c1(NC(=O)c2cccc(Cl)c2)sc(c3c1C(OC)=O)CCCC3,0.0
11686,CO-ADD:0311814,12.39,S(=O)(=O)(c1ccc(cc1)NC(CSc2cccc(cccn3)c23)=O)Nc4nc(C)cc(C)n4,0.0
11687,CO-ADD:0307498,12.39,C(C(OC)=O)(C1c2ccc(cc2)OCC)=CN(C=C1C(OC)=O)C(C)c3ccccc3,0.0
11688,CO-ADD:0307237,12.39,c12c(n(c(N3CCCCC3)n1)CCN)C(N(C)C(=O)N2C)=O.Cl,0.0
11689,CO-ADD:0307245,12.39,S(=O)(=O)(NCc1ccccc1Cl)c2nc(C)c(c(C)c2C#N)Cl,0.0
11690,CO-ADD:0319906,12.39,n1(c(cc2)ccc2C(=O)NC(CC3(C)C)CC(N3C)(C)C)cnnn1,0.0
11691,CO-ADD:0324165,12.38,N1(C(=O)\C(\SC1=N)=C\c(ccc2c(cc3)ccc3[N+](=O)[O-])o2)c4nonc4NC(C)=O,0.0
11692,CO-ADD:0320858,12.38,c1(nncn1\N=C\c(c(Cl)ccc2[N+](=O)[O-])c2)n3c(C)cc(C)n3,0.0
11693,CO-ADD:0320939,12.38,c12c(n(cn1)CC\N=C(/CCCCC3)\N3)C(N(C)C(=O)N2C)=O,0.0
11694,CO-ADD:0320859,12.38,c1(ccc(cc1F)F)C(=O)N2CCC(CC2)C,0.0
11695,CO-ADD:0320867,12.38,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCO3)n2)CC(=O)c4ccc(cc4)OC,0.0
11696,CO-ADD:0320979,12.38,N(Cc1ccccc1)(C(=O)c(cc2)ccc2n3cnnn3)C4(CCCC4)C(=O)Nc5c(C)cccc5C,0.0
11697,CO-ADD:0319270,12.38,N(CC1)(CCN1c2ccc(cc2F)C(CCC)=O)C(OCC)=O,0.0
11698,CO-ADD:0321359,12.38,n1c(C)c(CC)c(c(cccc2OC)c12)SCCC(O)=O,0.0
11699,CO-ADD:0321527,12.38,[nH]1cc(c(cc(OC)cc2Cl)c12)CCN,0.0
11700,CO-ADD:0321368,12.38,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc(ccc(c4OCC)OCC)c4)c5ccccc5,0.0
11701,CO-ADD:0321505,12.38,S(=O)(=O)(c1ccc(cc1)NC(=O)c(cc2)ccc2c3ccccc3)N4CCCCCC4,0.0
11702,CO-ADD:0300671,12.38,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3C(OCC)=O,0.0
11703,CO-ADD:0304675,12.38,N1(c2ccc(cc2)CC)C(C)(C)Nc(c3C1=O)cccc3,0.0
11704,CO-ADD:0304636,12.38,S(c1ccccc1)(=O)(=O)Oc2ccc(cc2OC)C=O,0.0
11705,CO-ADD:0304676,12.38,N1(c(cc2)ccc2N(C)C)C(c3ccc(cc3)CC)Nc(c4C1=O)cccc4,0.0
11706,CO-ADD:0300596,12.38,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2ccccc2OCCCC,0.0
11707,CO-ADD:0321013,12.38,c1(C(O)=O)cc(oc1CN(CC)CC)C(C)(C)C,0.0
11708,CO-ADD:0324474,12.38,c12c(CCNC1c3ccc(cc3OC)OC)cc(c(OCC)c2)OCC.Cl,0.0
11709,CO-ADD:0324786,12.37,c1(N(CC2)CCN2C34CC5CC(CC(C5)C3)C4)nc(NCCCO)nc(Nc(cc6)ccc6OC(Cl)(F)F)n1,0.0
11710,CO-ADD:0323716,12.37,N1(c2ccccc2OC)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
11711,CO-ADD:0320321,12.37,c1(c(cc2)ccc2C(C)(C)C)cc(C(OCC)=O)nc(ccc(cccc3)c34)c14,0.0
11712,CO-ADD:0321282,12.37,n1(CC=C)c(SCC(=O)Nc2cccc(F)c2)nnc1c3ccco3,0.0
11713,CO-ADD:0323195,12.37,N1(c2ccc(cc2)Cl)C(=O)CC(N(C(C)=O)CC(O)c3ccccc3)C1=O,0.0
11714,CO-ADD:0323563,12.37,c1(cc(C)c(cc1N2CCCC2)NC(=S)NC(=O)c3ccccc3Br)[N+](=O)[O-],0.0
11715,CO-ADD:0324037,12.37,c1(SCC(=O)Nc(cc(cc2C(F)(F)F)C(F)(F)F)c2)sc(c3n1)ccc(Cl)c3,0.0
11716,CO-ADD:0321019,12.37,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc2cc(ccc2N3CCCC3)C(F)(F)F,0.0
11717,CO-ADD:0324691,12.37,C12(C#N)C(c3ccc(cc3)F)OC4(C(CCCC4)C1(C#N)C#N)OC2=N,0.0
11718,CO-ADD:0324467,12.37,N1(NC(=O)c2ccc(cc2)Br)C(c3cccc(O)c3)Nc(c4C1=O)cccc4,0.0
11719,CO-ADD:0320729,12.37,C(C(OC)=O)(C(F)(F)F)(Nc1ncc(cc1C(F)(F)F)Cl)NC(=O)c2ccccc2C,0.0
11720,CO-ADD:0323705,12.37,c1(nn(cn1)CC(NCCc(c2c([nH]3)cccc2)c3C)=O)[N+](=O)[O-],0.0
11721,CO-ADD:0320907,12.37,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3O,0.0
11722,CO-ADD:0312500,12.37,C(C1[C@@H]([C@@H]2C(=O)O)C(N(C1)CCc3cc(OC)c(OC)cc3)=O)c(c24)cco4,0.0
11723,CO-ADD:0311885,12.37,C(=O)(NNc1c(Cl)ccc(Cl)c1)C(O)(c2ccc(cc2)Cl)c3ccc(cc3)Cl,0.0
11724,CO-ADD:0310956,12.37,C(Nc(cc1)ccc1OC(F)(F)Cl)(C(OC)=O)(C(F)(F)F)NC(c2ccccc2)=O,0.0
11725,CO-ADD:0310973,12.37,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)C)Nc2sc(c3c2C#N)CC(CC3)C,0.0
11726,CO-ADD:0307412,12.37,C12(C#N)C(c(cc3)ccn3)OC4(C(CCCC4)C1(C#N)C#N)OC2=N,0.0
11727,CO-ADD:0311059,12.37,c1(nncn1\N=C\c(ccc(c2OCC)O)c2)n3c(C)cc(C)n3,0.0
11728,CO-ADD:0321484,12.37,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(CC1=O)NCC(C3)(CC(CC34)CC5C4)C5,0.0
11729,CO-ADD:0324759,12.37,C(C(c1ccccc1)=O)(C2c3cccc(F)c3)=C(O)C(N2c4ccc(cc4)OCC(O)=O)=O,0.0
11730,CO-ADD:0321245,12.37,n1(N)c(SCC(=O)Nc2nncs2)nnc1c(cccn3)c3,0.0
11731,CO-ADD:0320316,12.37,C(C(O)=O)(=CN(CC)c1c2cc(c(N(CC3)CCN3C(=S)NC(=O)c4ccccc4Br)c1)F)C2=O,0.0
11732,CO-ADD:0319839,12.37,C(OCCCC)(=O)c1ccc(cc1)NC(CSCC(=O)Nc2ccccc2)=O,0.0
11733,CO-ADD:0324348,12.37,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5C(N)=O)c2,0.0
11734,CO-ADD:0324372,12.36,c12c(C(N(C)C(=O)N1C)=O)n(c(OCc(nc(N)nc3N(CC4)CCO4)n3)n2)Cc(cc5)ccc5C,0.0
11735,CO-ADD:0324124,12.36,S(=O)(=O)(c1ccc(cc1OC)C)n2cnc(cc(C)c(C)c3)c23,0.0
11736,CO-ADD:0323746,12.36,c1(C(OC)=O)sc(c2c1n3cccc3)cc(cc2Sc4ccccc4)[N+](=O)[O-],0.0
11737,CO-ADD:0300812,12.36,c1(NC(=O)c2ccccc2C)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OC,0.0
11738,CO-ADD:0300644,12.36,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5OC)cc(c5O)OC)cccc4,0.0
11739,CO-ADD:0300637,12.36,C(C(=O)OC(C)CC)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3Br,0.0
11740,CO-ADD:0300814,12.36,C12(CC(NC1=O)(O)CC(c3ccc(cc3)OC)C2(C#N)C#N)C#N,0.0
11741,CO-ADD:0300783,12.36,C(/C#N)(\C(OCCCCCCCC)=O)=C/c(ccc1c2ccccc2)o1,0.0
11742,CO-ADD:0300552,12.36,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cccc5C(F)(F)F)c5)cccc4,0.0
11743,CO-ADD:0304714,12.36,S1(=O)(=O)N(C(C)CC)C2C(OC(C(O3)OC(C3N4C(C)CC)N(S4(=O)=O)C(C)CC)O2)N1C(C)CC,0.0
11744,CO-ADD:0305366,12.36,N1(CCCN(CC)CC)C(=O)C2C(C3CC2C=C3)C1=O,0.0
11745,CO-ADD:0305343,12.36,C1(\C=C(\c(cccc2)c2N3CCC)/C3=O)=Nc(cccc4)c4C(=O)N1C,0.0
11746,CO-ADD:0323955,12.36,n1(ncnn1)C23CC(CC4C2)CC(C4)C3,0.0
11747,CO-ADD:0323515,12.36,C(=O)(c1ccc(cc1)OCc2ccccc2Cl)Nc3cccc(C)n3,0.0
11748,CO-ADD:0324812,12.36,S(=O)(=O)(c(cc1)ccc1S(=O)(=O)N(CC2)CCO2)N3CCC(C(CCCC4)C34)=O,0.0
11749,CO-ADD:0324653,12.36,c(C(=O)c1ccc(cc1)Cl)(sc(c23)nc(c(CCCC4)c24)C)c3N.c(C(=O)c5ccc(cc5)Cl)(sc(c67)nc(c8c6C)CCCC8)c7N,0.0
11750,CO-ADD:0319281,12.36,C(=O)(N(CC1)CCO1)c2ccccc2SCc3ccccc3,0.0
11751,CO-ADD:0321498,12.36,C1(C)(C)C(C1\C=C(/Cl)\Cl)C(=O)NC2CCCCCC2,0.0
11752,CO-ADD:0323645,12.36,n1(CC(=O)N(c2ccc(cc2)C)C3(CCCCC3)C(=O)Nc4ccccc4C)nnnc1N,0.0
11753,CO-ADD:0323309,12.35,C1(Sc2c(c3ccccc3)c4c(nc2O)cccc4)=NC(CSc(cc5)ccc5Cl)=CC(=O)N1,0.0
11754,CO-ADD:0323501,12.35,[s+]1c(SCCCCCCCCCCCCCCCC)c(sc1N2CCCCC2)C.[I-],0.0
11755,CO-ADD:0323079,12.35,C(=O)(Nc(cc(Oc(cc1)ccc1F)cc2[N+](=O)[O-])c2)C(C(F)(F)F)C(F)(F)F,0.0
11756,CO-ADD:0324287,12.35,N(C(C)=O)(CC1N2CCc(cccc3)c13)C2c4ccccc4,0.0
11757,CO-ADD:0323776,12.35,c12c(ccc(N\C(\C)=C\C(C)=O)c1OC)c(c(C)[nH]2)C,0.0
11758,CO-ADD:0323960,12.35,S(NCCOC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4c(OC)ccc(OC)c4,0.0
11759,CO-ADD:0319700,12.35,N(c1c(cccc1)NC(CC(c2ccc(cc2)Cl)CC3=O)=C34)(C(=O)C(F)(F)F)C4c5ccc(c(OCC)c5)OCc(cc6)ccc6Cl,0.0
11760,CO-ADD:0311157,12.35,C1(=S)NC2(NN1C(C)(C)C)CCCC(C)C2,0.0
11761,CO-ADD:0306874,12.35,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c(cc(OCC)c(c4[N+](=O)[O-])O)c4,0.0
11762,CO-ADD:0305937,12.35,c1(NC(=O)C(C)Oc(cc2)ccc2F)sc(c3c1C(OCC)=O)CCCC3,0.0
11763,CO-ADD:0324126,12.35,S(NCCN(CC1)CCO1)(=O)(=O)c2c(OC)ccc(OC)c2,0.0
11764,CO-ADD:0323441,12.35,c1(NCn2c(C)cc(C)n2)nonc1OCCn3c(C)cc(C)n3,0.0
11766,CO-ADD:0320195,12.35,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2F)nnc1c3ccco3,0.0
11767,CO-ADD:0323656,12.35,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(Cc(ccc(c3OCC)OCC)c3)=O)c2C,0.0
11768,CO-ADD:0323287,12.35,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cccc(Cl)c5,0.0
11769,CO-ADD:0323327,12.35,C(=C\NCCCO)(/C(=O)C1)\C(=O)CC1c2cccc(Cl)c2,0.0
11770,CO-ADD:0323191,12.35,N1(c2ccc(cc2C)C)C(=O)C(CC1=O)NCCC(C3)(C4)CC(C5)CC3CC45,0.0
11771,CO-ADD:0323271,12.35,c1(SCC(NCCC(C2)(CC(CC23)CC4C3)C4)=O)sc(c5n1)cccc5,0.0
11772,CO-ADD:0320989,12.35,C(CSCCCSCC(=O)Nc(ccc(c12)cccc1)c2)(=O)Nc(ccc(c34)cccc3)c4,0.0
11773,CO-ADD:0319840,12.35,S(=O)(=O)(c1ccc(cc1)F)N2CCCC2C(O)=O,0.0
11774,CO-ADD:0323225,12.35,c(C(C)=O)(c1C)nnn1CC(N)=O,0.0
11775,CO-ADD:0323154,12.35,c1(C#N)c(C)c(Cl)c(nc1SCCCCCCC)C,0.0
11776,CO-ADD:0304529,12.34,C1(N2CCCS1)=C(C#N)C(=CC2=O)C,0.0
11777,CO-ADD:0304537,12.34,C(=C(C)NC(=C1C#N)SCC(N)=O)(C(=O)Nc2ccccc2OC)C1c(cco3)c3,0.0
11778,CO-ADD:0305089,12.34,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C/c(ccc(c3OC)OC)c3,0.0
11779,CO-ADD:0304787,12.34,c(C#N)(c1c2ccc(cc2)O)c(SCC(OCCCCCCCCC)=O)nc(N)c1C#N,0.0
11780,CO-ADD:0305308,12.34,n1c(N)nc(c(Cl)c1SCC(OC)=O)C,0.0
11781,CO-ADD:0305340,12.34,N1(C)C(\C=C\c(c(cccc2)c2n3C)c3C)=Nc(c4C1=O)cccc4,0.0
11782,CO-ADD:0304709,12.34,n1(c2ccccc2F)nnnc1SCc(cc3)ccc3Br,0.0
11783,CO-ADD:0304664,12.34,N1(c(cc2)ccc2C(C)C)CC(CC1=O)C(=O)NC(C)CC,0.0
11784,CO-ADD:0301508,12.34,S(=O)(=O)(N(CC1)CCO1)c2cccc(n[se]n3)c23,0.0
11785,CO-ADD:0301500,12.34,c1(\C(\N)=N\O)noc(C)n1,0.0
11786,CO-ADD:0304400,12.34,N1(CN(CC2)CCN2Cc(ccc(c34)OCO3)c4)c5c(C(=O)C1=O)cc(Br)cc5,0.0
11787,CO-ADD:0303185,12.34,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(OCCOC)=O,0.0
11788,CO-ADD:0303178,12.34,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5cccc(OCC)c5)cccc4,0.0
11789,CO-ADD:0303159,12.34,C(=C/c(ccc1Sc(cc2)ccc2C)o1)(/C(=O)NC(N3)=O)\C3=O,0.0
11790,CO-ADD:0305346,12.34,N1(Cc2ccccc2)c3c(\C(=C\C4=Nc(cccc5)c5C(=O)N4C)\C1=O)cccc3,0.0
11791,CO-ADD:0302536,12.34,C(/c1c(N2)cccc1)(=N\NC(=O)C(=O)Nc(cc3)ccc3C)\C2=O,0.0
11792,CO-ADD:0302529,12.34,c1(C(O)=O)c(C)nc(c2c1C(O)=O)cccc2,0.0
11793,CO-ADD:0302648,12.34,C(C(N)c1ccc(cc1)C)C(OCC)=O.Cl,0.0
11794,CO-ADD:0302696,12.34,C(=O)(Nc1ccc(cc1Cl)Cl)C2CC(C)=C(CC2C(O)=O)C,0.0
11795,CO-ADD:0302448,12.33,N1(c2ccc(cc2)CCCC)CC(CC1=O)C(=O)Nc(cccc3C(F)(F)F)c3,0.0
11796,CO-ADD:0302685,12.33,c1(c2c(sc1NC(=O)c3cccc(F)c3)CCCCC2)C(=O)Nc4ccccc4OCC,0.0
11797,CO-ADD:0302513,12.33,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c(cc2)cc(c2OC(=O)c3cccs3)OC,0.0
11798,CO-ADD:0302726,12.33,N1(c2ccc(cc2)OC(F)(Cl)F)C(=O)C(CC1=O)NCCc(cc3)ccc3OC,0.0
11799,CO-ADD:0301962,12.33,c1(SCC(=O)NC(C)(C)C)n(CC(OC)=O)cc(c(cc2)ccc2[N+](=O)[O-])n1,0.0
11800,CO-ADD:0304382,12.33,C1(C2c3ccccc3OC)=C(NCCN=C1c4ccccc4)C(N2c5ccccc5)=O,0.0
11801,CO-ADD:0302721,12.33,N1(c2ccc(cc2)OC(F)(Cl)F)C(=O)C(CC1=O)S\C(\NCc(ccc(c34)OCO3)c4)=N\c5ccccc5,0.0
11802,CO-ADD:0303205,12.33,c1(NC(=O)c2ccccc2F)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
11803,CO-ADD:0321081,12.33,c1(C2c3ccco3)c([nH]nc1C45CC6CC(CC(C6)C4)C5)OC(N)=C2C#N,0.0
11804,CO-ADD:0319135,12.33,c1(N2CCC(CC2)C)scc(c3ccc(cc3)Br)n1,0.0
11805,CO-ADD:0319518,12.33,c1(C2c3ccc(c(OCC)c3)O)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
11806,CO-ADD:0312315,12.33,N1(CCc(c23)cccc2)C3CN\C(=C\C(=O)c4ccc(cc4)Cl)\C1=O,0.0
11807,CO-ADD:0307183,12.33,N1=C(O)c(cccc2)c2C(=O)N1C,0.0
11808,CO-ADD:0307482,12.33,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=C3C1c4ccc(C)o4)CCCC3=O,0.0
11809,CO-ADD:0307184,12.33,N(C)(C1C(N2C)OC(C(O3)OC(C34)N(C(=O)N4C)C)O1)C2=O,0.0
11810,CO-ADD:0306831,12.33,C(C(OC)=O)(C1c(cc2)ccc2C(C)C)=C(C)NC(CCCC3=O)=C13,0.0
11811,CO-ADD:0307280,12.33,P(c1ccccc1)(c2ccccc2)(=O)N3CCCCC3,0.0
11812,CO-ADD:0305674,12.33,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3CC)C2c4ccccc4,0.0
11813,CO-ADD:0312086,12.33,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C/c(cc3)ccc3NC(C)=O,0.0
11814,CO-ADD:0311952,12.32,n(C(=O)c1ccc(cc1)Cl)(c2c(c3CC(=O)N(CC4)CCN4c5ccccc5)cc(OC)cc2)c3C,0.0
11815,CO-ADD:0306892,12.32,c12c([nH]nc1c3ccc(c(Cl)c3)Cl)OC(N)=C(C#N)C2c4c[nH]nc4c5ccc(cc5)F,0.0
11816,CO-ADD:0305853,12.32,C(=C/c1ccc(C)o1)(/C(C)=NN2c3ccc(cc3)C)\C2=O,0.0
11817,CO-ADD:0306766,12.32,C(C(OCCCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccc(OCC)c3,0.0
11818,CO-ADD:0304696,12.32,c1(NN)nncn1N.Cl,0.0
11819,CO-ADD:0304618,12.32,C12(SC(=NN1c3cccc(Cl)c3)C(C)=O)N(c4ccccc4)C(=NN2C(C)=O)c5ccccc5,0.0
11820,CO-ADD:0301001,12.32,C(O)(c1ccc(cc1)N)(C(F)(F)F)C(F)(F)F,0.0
11821,CO-ADD:0300545,12.32,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(c(F)c4)Cl)cc(c(C)c3)C,0.0
11822,CO-ADD:0300466,12.32,c1(C(c2ccccc2)=O)oc(c3c1CC)ccc4c3OC(=O)C=C4C,0.0
11823,CO-ADD:0300474,12.32,[nH]1c(SCCOc2ccccc2F)nc3c1ncnc3N,0.0
11824,CO-ADD:0301066,12.32,n1(C)cnnc1S,0.0
11825,CO-ADD:0300898,12.32,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc(cc4)ccc4Cl,0.0
11826,CO-ADD:0300826,12.32,c1(N(C)CC(O)=O)sc(c(ccc2[N+](=O)[O-])n1)c2,0.0
11827,CO-ADD:0304697,12.32,n1(N)c(C)nnc1NN.Cl.Cl,0.0
11828,CO-ADD:0304864,12.32,c12c(n(c(N\N=C\c(cc3)ccc3Br)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
11829,CO-ADD:0302501,12.32,c1(NC(C)=O)nnc(SCC(c2ccccc2)=O)s1,0.0
11830,CO-ADD:0302675,12.32,c1(Sc2cc(C#N)c(cc2[N+](=O)[O-])C#N)[nH]c(c3n1)cccc3,0.0
11831,CO-ADD:0304308,12.32,c1(NC(CCCC)=O)c(c2ccccc2)nc(cccc3)n13,0.0
11832,CO-ADD:0302926,12.32,N1(c(cc2)ccc2N(C)C)C(c3cccs3)N(N=C1C(C)=O)c4ccccc4,0.0
11833,CO-ADD:0304309,12.32,N12C(S\C(=C/c3ccccc3O)\C1=O)=NCN(c(cc4)ccc4C(C)=O)C2,0.0
11834,CO-ADD:0302121,12.32,C(=O)(Nc1ccccc1O)c2c(cccc2OC)OC,0.0
11835,CO-ADD:0302442,12.32,c1(C#N)c(cc(nc1N)C)C(=O)[O-].[Na+],0.0
11836,CO-ADD:0303876,12.32,c1(cc(Cl)cc(Cl)c1O)C2SCC(C(O)=O)N2,0.0
11837,CO-ADD:0302528,12.32,N1(CC(=O)OCC(c2ccccc2)=O)C(=O)c(c(cc(c3[N+](=O)[O-])Br)C1=O)c3,0.0
11838,CO-ADD:0302496,12.32,C(=O)(c1cccc(OC)c1)Nc(cc2)ccc2C(O)=O,0.0
11839,CO-ADD:0301462,12.32,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
11840,CO-ADD:0301575,12.32,C1(C(OCCOC)=O)=C(C)NC(=O)CC1c2cccc(Cl)c2,0.0
11841,CO-ADD:0303526,12.32,C(=C(C)NC(=C12)CC(CC1=O)(C)C)(C(=O)Nc3ccccc3C)C2c4ccc(c5c4)OCO5,0.0
11842,CO-ADD:0303497,12.32,C1(=S)N\C(\C2(CCCC2)N1c3ccccc3O)=N/c4c(C)cccc4C,0.0
11843,CO-ADD:0302869,12.32,c1(CC(O)=O)nonc1NCn2cnnn2,0.0
11844,CO-ADD:0303456,12.31,C(NC(CC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C(OC)=O)CCCCC2,0.0
11845,CO-ADD:0302862,12.31,N1(C(C)=O)C(C(O)=O)CSC1c2c(F)cc(cc2F)F,0.0
11846,CO-ADD:0311810,12.31,c1(cc(OC)ccc1NC(CSc2[nH]c(c3n2)ccc(C)c3)=O)[N+](=O)[O-],0.0
11847,CO-ADD:0305775,12.31,[N+]1(C(C)Cc2ccccc2)=NO\C(=N\C(=O)c(cc3OC)cc(c3OC)OC)\[CH-]1,0.0
11848,CO-ADD:0306763,12.31,C1(C(=O)OC(C)CC)=C(C)NC(=C2C1c3cc4c(cc3Cl)OCO4)CCCC2=O,0.0
11849,CO-ADD:0306734,12.31,c1(C(NCCOc2cccc(C)c2)=O)n[nH]cn1,0.0
11850,CO-ADD:0305870,12.31,c1(NC(=O)c(cc2)cc(c2[N+](=O)[O-])C)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
11851,CO-ADD:0305766,12.31,c1(NC(=O)c(cc2)cc(c2[N+](=O)[O-])C)sc(c(C)c1C(OCC)=O)C,0.0
11852,CO-ADD:0312380,12.31,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cc4OC)cc(c4OC)OC,0.0
11853,CO-ADD:0310890,12.31,c1(cc(ccc1N(CC2)CCN2c3ccc(nn3)Nc(cc4)ccc4OCC)C(F)(F)F)[N+](=O)[O-],0.0
11854,CO-ADD:0312334,12.31,c1(C(N)=O)nc(n(C)c1N)C,0.0
11855,CO-ADD:0305940,12.31,c1(c2c(sc1NC(COc3ccccc3C)=O)CCCC2)C(=O)OC(C)C,0.0
11856,CO-ADD:0312645,12.31,[C@@H](C(=O)[C@H](C)[C@H]1c(o2)ccc2c3ccccc3[N+](=O)[O-])([C@@H](N1C(C(F)(F)F)=O)c4oc(cc4)c5c([N+](=O)[O-])cccc5)C,0.0
11857,CO-ADD:0305542,12.31,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3C(=O)c4ccc(cc4)OC)[N+](=O)[O-],0.0
11858,CO-ADD:0305833,12.31,c1(NC(COc(cc2)cc(c2[N+](=O)[O-])C)=O)sc(c3c1C#N)CCC3,0.0
11859,CO-ADD:0312150,12.31,c12c(nnc(SCC(=O)N(CC3)CCO3)n1)c4c(cccc4)n2C,0.0
11860,CO-ADD:0311173,12.31,c1(NC(=O)c(ccc(c2Cl)Cl)c2)sc(c(C)c1C(OC)=O)C,0.0
11861,CO-ADD:0312347,12.31,c1(ccc(\C=N\NC(c(cc2)ccn2)=O)o1)c3cc(Cl)ccc3Cl,0.0
11862,CO-ADD:0312568,12.31,C([C@H]1O[C@@]23[C@]([H])([C@@](C(C4=O)C5C(=O)N4c6ccccc6)(O[C@@H]57)CN(C(c8ccccc8)=O)C2)[C@@]17[H])=C3,0.0
11863,CO-ADD:0311279,12.31,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)C)CC(O)CN(Cc3ccccc3)Cc4ccccc4,0.0
11864,CO-ADD:0305138,12.31,c1(SCC(=O)Nc2c(C)cc(cc2C)C)nccn1C,0.0
11865,CO-ADD:0304683,12.31,N1(c2ccc(cc2)OC)C(=O)C(Cc3ccccc3)=C(N=C1SCC(=O)Nc4ccccc4)O,0.0
11866,CO-ADD:0304994,12.31,C1(=O)N(CCCCN(CC)CC)C(C)=CC(=O)N1C,0.0
11867,CO-ADD:0304295,12.31,N1(c(cc2)ccc2C(=O)Nc3sc(c4c3C#N)CC(CC4)C)C(=O)C5C(C6CC5C=C6)C1=O,0.0
11868,CO-ADD:0302519,12.3,C(=O)(c(cccc1)c1C2=O)C2c3ccc(cc3)OC,0.0
11869,CO-ADD:0302669,12.3,N1(c2ccccc2)c(ncnc3N4CCc(c5C4)cccc5)c3SC1=S,0.0
11870,CO-ADD:0302594,12.3,N1(CNc2ccccc2OC)C(=O)C(C3C1=O)C(CC34)C=C4,0.0
11871,CO-ADD:0304269,12.3,N1(c2ccc(cc2)OCC)C(c3ccc(c(OC)c3)OCc4ccc(cc4Cl)Cl)N(N=C1C(C)=O)c5ccc(cc5)C,0.0
11872,CO-ADD:0302542,12.3,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(c(OC)c5)OCCC)cccc4,0.0
11873,CO-ADD:0303147,12.3,o(c(cccc1)c1c2c(o3)cccc2)c(cc4C#N)c3cc4C#N,0.0
11874,CO-ADD:0303248,12.3,c1(c2c(sc1NC(Cc(cc3)ccc3OC)=O)CCCCC2)C(=O)Nc4ccccc4OCC,0.0
11875,CO-ADD:0301241,12.3,C1(C(OCCc2ccccc2)=O)=C(C)NC(=C3C1c4ccccc4C(F)(F)F)CCCC3=O,0.0
11876,CO-ADD:0304180,12.3,[N+](=O)([O-])c1c(Cl)ccc(c1)C2Nc3c(c4N2)c(ccc3)ccc4,0.0
11877,CO-ADD:0301285,12.3,c1(SCCOc(cc2)ccc2Cl)n(CC)c3c(cccc3)n1,0.0
11878,CO-ADD:0301255,12.3,N1(CCSC1c2c(F)cc(cc2F)F)C(=S)Nc(cc3)ccc3Cl,0.0
11879,CO-ADD:0304215,12.3,C(=O)(NC(CC1(C)C)CC(N1)(C)C)C(=O)NCC(C)C,0.0
11880,CO-ADD:0303768,12.3,c(c(C)nc(c1C#N)SCC(=O)c2ccc(c(O)c2)O)(c1c(cccn3)c3)C(=O)Nc4ccccc4C,0.0
11881,CO-ADD:0302912,12.3,c1(NCc(ccc(c2OC)OC)c2)sccn1,0.0
11882,CO-ADD:0303475,12.3,C(C(OCC)=O)(C(=O)CC(C1C(OCC)=O)=O)C1c2ccco2,0.0
11883,CO-ADD:0303520,12.3,C(C(OC)=O)(=CN(Cc(cc1)ccc1C)C=C2C(OC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
11884,CO-ADD:0301957,12.3,c12c(n(c(Sc3nc(c4n3CC(=O)N(CC5)CCO5)cccc4)n1)C)C(N(C)C(=O)N2C)=O,0.0
11885,CO-ADD:0302813,12.29,N1(CC)\C(=N\CC)\S\C(=C/c(cn(n2)C(C)=O)c2c3ccccc3)\C1=O,0.0
11886,CO-ADD:0301922,12.29,C(=C/c(cc1)ccc1OCCBr)(/C(=O)NC(N2)=O)\C2=O,0.0
11887,CO-ADD:0302767,12.29,C(C#N)(=C(c1ccccc1)N=C(N2CCC)SCCC)C2=O,0.0
11888,CO-ADD:0302768,12.29,n1(c2ccccc2F)nnnc1SCC(=O)Nc3ccc(c(OC)c3)OC,0.0
11889,CO-ADD:0302934,12.29,c1(N(CC2)CCN2CC(=O)Nc(cc3)ccc3Br)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
11890,CO-ADD:0303055,12.29,c1(C(N)=O)nonc1C(N)=O,0.0
11891,CO-ADD:0301996,12.29,c(cc(n1C)C)(\C=C(/SC(N2)=S)\C2=O)c1C,0.0
11892,CO-ADD:0301539,12.29,C12C(C(C)NC(=O)N1C)C(C)N(C(=O)N2)C,0.0
11893,CO-ADD:0302477,12.29,n1(C(=O)\C(\S2)=N\Nc(cccc3[N+](=O)[O-])c3)c2nc(c4ccccc4)c1c5ccccc5,0.0
11894,CO-ADD:0302971,12.29,n12c(ccc(NCC3CCCO3)n1)nnn2,0.0
11895,CO-ADD:0303822,12.29,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(=O)c4ccc(cc4)OC,0.0
11896,CO-ADD:0312268,12.29,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccccc3OCC,0.0
11897,CO-ADD:0305695,12.29,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2OCC)(C(=O)Nc3ccccc3C)C1c4ccco4,0.0
11898,CO-ADD:0311649,12.29,N1(c2ccccn2)C(c3ccc(cc3)OC)Nc(c4C1=O)cccc4,0.0
11899,CO-ADD:0306230,12.29,C1(=O)Nc(c2N1)ccc(c2)NCc3cc(Cl)cc(Cl)c3OCc4ccccc4,0.0
11900,CO-ADD:0306696,12.29,c(C(=O)c(cc1)ccc1c2ccccc2)(c(N)c(c3Nc4ccccc4)C#N)s3,0.0
11901,CO-ADD:0306733,12.29,N1(c2ccccc2C)C(CSc3nnc(c4ccccc4)n3C5CCCCC5)=Nc(c6C1=O)cccc6,0.0
11902,CO-ADD:0319792,12.29,c1(NC(COc(cccc2C(F)(F)F)c2)=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
11903,CO-ADD:0306777,12.29,C(C(OC)=O)(=CN(Cc(cc1)ccc1F)C=C2C(OC)=O)C2c(ccc(c34)OCO3)c4,0.0
11904,CO-ADD:0306937,12.29,n1(c2c(C)cc(cc2C)C)nnnc1SCc(nc(N)nc3N(CC4)CCO4)n3,0.0
11905,CO-ADD:0306260,12.29,C(C(OC)=O)(C(c1ccc(cc1)OC(F)(F)F)N2)=C(C)N(C2=O)C,0.0
11906,CO-ADD:0306221,12.29,c1(c2ccccc2F)nnn(CC(OCC)=O)n1,0.0
11907,CO-ADD:0307190,12.29,n1(c2c(C)ccc(c2)[N+](=O)[O-])c(C)c(c3c1CC(C)(C)CC3=O)CC(Cl)(Cl)Cl,0.0
11908,CO-ADD:0307626,12.29,C1(=S)N(c2ccc(cc2)Cl)NC3(CCCC(C)C3)N1,0.0
11909,CO-ADD:0307566,12.29,C(/C#N)(=C/c(ccc1c(cccc2[N+](=O)[O-])c2)o1)\C(=O)Nc(cc3)ccc3C(OCCCC)=O,0.0
11910,CO-ADD:0306982,12.29,C(O)(=O)c1cccc(c1)NC(COc2ccc(cc2Cl)Cl)=O,0.0
11911,CO-ADD:0306942,12.29,N1(\N=C\c(ccc(c2OC)O)c2)C(c3ccc(c(OC)c3)O)Nc4c(ccc(c4)[N+](=O)[O-])C1=O,0.0
11912,CO-ADD:0306194,12.29,c1(C(=O)c2cccs2)cn(nc1C(C)=O)c(cccc3[N+](=O)[O-])c3,0.0
11913,CO-ADD:0312036,12.28,c12c(ccc(C(NC)=O)c1SC)C(=O)c(c3C2=O)cccc3,0.0
11914,CO-ADD:0307028,12.28,N12N(C1c(cccc3[N+](=O)[O-])c3)CCC2,0.0
11915,CO-ADD:0301544,12.28,c12c(n(c(N\N=C\c(ccc(c3OC)OC)c3)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
11916,CO-ADD:0303900,12.28,C(C(OCC)=O)(=CN(c1ccc(cc1)F)C=C2C(OCC)=O)C2c3ccccc3OCC,0.0
11917,CO-ADD:0304316,12.28,N1(c2ccccc2)C(=O)C(=CC1c3ccccc3F)Nc4ccccc4,0.0
11918,CO-ADD:0302104,12.28,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)Nc2ccccc2C(=O)Nc(cc3)ccc3C(O)=O,0.0
11919,CO-ADD:0303909,12.28,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c3cccc(F)c3,0.0
11920,CO-ADD:0303908,12.28,c(cc(OC)c(c1OC)OC)(c1Br)C2CC(=O)Nc3c2ccc(c34)cccc4,0.0
11921,CO-ADD:0300368,12.28,n1(c(cc2)ccc2C(OC)=O)nnnc1SCC(=O)Nc3c(CC)cccc3C,0.0
11922,CO-ADD:0305200,12.28,n1(Cc2ccccc2)c3c(nc1CSc4ncnc(cccc5)c45)cccc3,0.0
11923,CO-ADD:0300611,12.28,C(C(OCCOC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccc(Oc4ccccc4)c3,0.0
11924,CO-ADD:0305077,12.28,c1(sc2c(c(COC)cc(C)n2)c1N=[N+]=[N-])C(=O)N(c3ccccc3)c4ccccc4,0.0
11925,CO-ADD:0301434,12.28,C1(=C(C)NC(=C2C1c3cccc(OCC)c3)CCCC2=O)C(=O)Nc4ccccc4OC,0.0
11926,CO-ADD:0303082,12.28,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc(cc2)cc(c23)CCN3S(C)(=O)=O,0.0
11927,CO-ADD:0303957,12.28,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c3cccc(OCC)c3,0.0
11928,CO-ADD:0302084,12.28,N1(c(cc2)ccc2C(OCC)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4C(O)=O,0.0
11930,CO-ADD:0303041,12.28,N1(CCNCCN2C(=O)c3c(cccc3)C2=O)C(=O)c(c4C1=O)cccc4,0.0
11931,CO-ADD:0303677,12.27,C(CC(N1CCCN(C2)C(=O)CC2C(=O)Nc(cc3)ccc3OCC)=O)(C1)C(=O)Nc(cc4)ccc4OCC,0.0
11932,CO-ADD:0302405,12.27,C(=O)(Oc1ccc(cc1C=O)Br)c2cccs2,0.0
11933,CO-ADD:0324001,12.27,S(=O)(=O)(NC(CC1(C)C)CC(N1)(C)C)c2c(C)cc(cc2C)C,0.0
11934,CO-ADD:0323101,12.27,c1(C(NCCc(c2c([nH]3)cccc2)c3C)=O)cc(F)c(cc1Cl)F,0.0
11935,CO-ADD:0323963,12.27,S(NCCOC(CC1CC2CC3C1)(C3)C2)(=O)(=O)c4c(C)cc(cc4C)C,0.0
11936,CO-ADD:0307067,12.27,C(c1ccccc1)(=O)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
11937,CO-ADD:0307049,12.27,c1(ccc(cc1Cl)Cl)C(=O)N(CC2)CCN2c(cc3C)c(F)cc3[N+](=O)[O-],0.0
11938,CO-ADD:0310743,12.27,C(C(OCC)=O)(C1c2ccc(cc2)OCC)=CN(C=C1C(OCC)=O)c3cc(C)ccc3C,0.0
11939,CO-ADD:0307402,12.27,c1(c(Cl)c2c(cccc2)s1)c(onc3c4nonc4N)n3,0.0
11940,CO-ADD:0310773,12.27,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c(ccc(c3[N+](=O)[O-])Cl)c3,0.0
11941,CO-ADD:0307587,12.27,C1(C(=O)Nc(cc2)ccc2c3csc(C)n3)=Cc(cc(Br)cc4Br)c4OC1=O,0.0
11942,CO-ADD:0312297,12.27,c1(SCc(cc2)ccc2Br)n(C)c3c(cccc3)n1,0.0
11943,CO-ADD:0311448,12.26,N1(CC)\C(=N/CC)\SC(C(=O)Nc(cc2)ccc2F)CC1=O,0.0
11944,CO-ADD:0312204,12.26,N1(Cc2ccccc2)\C(=N\c3ccccc3)\SC(C(=O)Nc(cc4)ccc4C(OCC)=O)CC1=O,0.0
11945,CO-ADD:0312070,12.26,s1c(N)nnc1SCC(=O)Nc2ccccc2Oc3ccccc3,0.0
11946,CO-ADD:0305685,12.26,C(/C#N)(\C(c1ccccc1Cl)CC(c2ccccc2)=O)=C(/SCC(=O)Nc3cccc(Cl)c3)\NC(c4ccccc4)=O,0.0
11947,CO-ADD:0305949,12.26,c1(c2c(sc1NC(COc(cc3)ccc3[N+](=O)[O-])=O)CCCC2)C(=O)OC(C)C,0.0
11948,CO-ADD:0319712,12.26,N(c1c(cccc1)NC(CC(c2ccc(cc2)Cl)CC3=O)=C34)(C(=O)C(F)(F)F)C4c5cccc(OC)c5,0.0
11949,CO-ADD:0319665,12.26,N(c1c(cccc1)NC(CC(c2ccccc2)CC3=O)=C34)(C(=O)C5CC5)C4c6ccc(cc6Cl)Cl,0.0
11950,CO-ADD:0319713,12.26,C1(C(=S)Nc2ccccc2)=C(CC(c3ccccc3)CC1=O)Nc4ccccc4\N=C\c(cc5OC)cc(c5OC)OC,0.0
11951,CO-ADD:0320065,12.26,c12n(c3c(cccc3)cc1c4ccc(c5n4)cccc5)c(cc2C(C)=O)C(OCC)=O,0.0
11952,CO-ADD:0320673,12.26,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c3cccs3)c2C,0.0
11953,CO-ADD:0311487,12.26,c12c(ccc(C)c1Br)nsn2,0.0
11954,CO-ADD:0307027,12.26,C(C(=O)c1cccs1)(C2c3ccc(cc3)F)=C(O)C(N2CCc4ccccc4)=O,0.0
11955,CO-ADD:0312176,12.26,[N+](=O)([O-])c1ccc(cc1)NCCNC(=S)NC(=O)c2cccs2,0.0
11956,CO-ADD:0312301,12.26,c1(cccc(cccc2)c12)C(NCCOc3ccccc3)=O,0.0
11957,CO-ADD:0312411,12.26,C(C(OC)=O)(C(F)(F)F)(Nc1scc(C2CC2)n1)NC(=O)c3ccc(cc3)Cl,0.0
11958,CO-ADD:0311314,12.26,S(=O)(=O)(N(CC1)CCN1Cc2ccccc2)c3c(OC)cc(c(C)c3)C,0.0
11959,CO-ADD:0305450,12.26,N1(c2cccc(C)c2)C(=O)\C(=C\c(cc3)ccc3N4CCCC4)\C(NC1=S)=O,0.0
11960,CO-ADD:0305754,12.26,c1(Nc(cccc2C(F)(F)F)c2)nc(Cl)nc(NCCC3=CCCCC3)n1,0.0
11961,CO-ADD:0312096,12.26,C1(C(F)(F)F)=NNC(=S)N1,0.0
11962,CO-ADD:0307625,12.26,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OCc(cc4)ccc4Cl)Br,0.0
11963,CO-ADD:0306148,12.25,c1(cc[nH]n1)C(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
11964,CO-ADD:0307548,12.25,c12c(cc(C)c(C)c1)NC(CC2c3ccccc3OC)=O,0.0
11965,CO-ADD:0300794,12.25,c1(NC(=O)c2cccc(OC)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
11966,CO-ADD:0305118,12.25,c(c(O)[nH]n1)c1c2ccc(cc2)F,0.0
11967,CO-ADD:0305142,12.25,c1(n(C)c2c(cccc2)n1)c3nonc3NC(CSc4nnnn4c5ccc(cc5)OC)=O,0.0
11968,CO-ADD:0305030,12.25,C1(C(=O)OCc2ccccc2)=C(C)NC(=O)CC1c(cccc3[N+](=O)[O-])c3,0.0
11969,CO-ADD:0305007,12.25,n1c(c2ccccc2)c([nH]c1c(cc3OC)cc(c3OCC(=O)Nc(cc4)ccc4OC(F)(F)F)OC)c5ccccc5,0.0
11970,CO-ADD:0304967,12.25,c1(SC2CCCCC2=O)nc(N)c(c(c3ccc(cc3)OC)c1C#N)C#N,0.0
11971,CO-ADD:0304464,12.25,c1(C(NCCCN(CC2)CCO2)=O)nnn(Cc3ccccc3)c1N,0.0
11973,CO-ADD:0305361,12.25,C(c1ccccc1)(CN(CC2)CCO2)C(CC)(O)c3ccc(cc3)OCCC.Cl,0.0
11974,CO-ADD:0305306,12.25,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccco1)Nc2sc3c(CCC(C(C)(C)C)C3)c2C#N,0.0
11975,CO-ADD:0303728,12.25,N1(C(C)C(NCCc2cccc(cccc3)c23)=O)C(=O)c(c4C1=O)cccc4,0.0
11976,CO-ADD:0302600,12.25,N1(c2ccc(cc2)O)C(=O)C(C(C(c(c34)cccc3)c(c56)cccc5)C1=O)C46,0.0
11977,CO-ADD:0302569,12.25,c(c1c(n2CC(=O)Nc(ccc(c34)OCO3)c4)cccc1)(c2)C5Nc(ccc(c67)cccc6)c7C(CC(C)(C)CC8=O)=C58,0.0
11978,CO-ADD:0303745,12.25,N1(c2c(C)cc(cc2C)C)C(=O)NC(\C(=C/c(ccc3[N+](=O)[O-])o3)\C1=O)=O,0.0
11979,CO-ADD:0302399,12.25,N1(C)C(C)(C)CC(CC1(C)C)NC(=O)c2ccco2,0.0
11980,CO-ADD:0304380,12.24,N1(NC(COc2cccc(Cl)c2)=O)C(=O)c3c(NC1c4ccccc4Cl)cccc3,0.0
11981,CO-ADD:0303948,12.24,C(C(OCCOC)=O)(C1c(cc2)ccc2C(C)C)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
11982,CO-ADD:0303976,12.24,N1(c(cc2)ccc2C(C)CC)CC(CC1=O)C(=O)Nc(cc3)ccc3NC(C)=O,0.0
11983,CO-ADD:0304007,12.24,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CCCC4=O)NC(C)=C3C(OCCOc5ccccc5)=O,0.0
11984,CO-ADD:0302003,12.24,c1(c2ccccc2Cl)nnc(SCc3nc(c4n3CCc5ccccc5)cccc4)n1c6ccccc6,0.0
11985,CO-ADD:0303732,12.24,C(/C#N)(\c1ccc(c(OC)c1)OC)=C/c(ccc(c23)OCO2)c3,0.0
11986,CO-ADD:0311856,12.24,C1(C)([C@@H](OC(C)=O)C2)C(CCC1C(C)C\C=C(\c3ccccc3)/c4ccccc4)C(C25)CCC(CC(CC6)OC(C)=O)C56C,0.0
11987,CO-ADD:0311816,12.24,C(C(OC)=O)(NC(C)=O)(C(F)(F)F)Nc1sc2c(CCC(C(C)(C)C)C2)c1C#N,0.0
11988,CO-ADD:0307435,12.24,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C/c(cc3)ccc3OCC,0.0
11989,CO-ADD:0306092,12.24,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccco1)Nc2sc(c3c2C#N)CCCCC3,0.0
11990,CO-ADD:0307300,12.24,c1(NC(=S)NC(=O)c2ccccc2Cl)sc(c3c1C(N)=O)CC(CC3)C,0.0
11991,CO-ADD:0311593,12.24,N1(c2ccccc2Cl)C(=O)C(CC1=O)NNC(c3ccccc3)=O,0.0
11992,CO-ADD:0311790,12.24,C(NCCN=C1c2ccccc2)(C(F)(F)F)=C1,0.0
11993,CO-ADD:0307159,12.24,C(/S\C(\C1=O)=C/c(cc2)ccc2OCc3ccccc3F)(=N\C(C)=O)\N1,0.0
11994,CO-ADD:0312163,12.24,N1(NC(=C(\C=N\Cc2ccco2)C1=O)CSc(cc3)ccc3Cl)c4sc(c5n4)cccc5,0.0
11995,CO-ADD:0312648,12.24,C1=C[C@@]2(O[C@@]13[C@@]([C@]24[H])([H])[C@]([C@@H](N([C@H]35)C(=O)C(F)(F)F)[C@@H](C([C@@H]5C)=O)C)(C(=C6C(OC)=O)C(OC)=O)O[C@@]46C)C,0.0
11996,CO-ADD:0306206,12.24,n1(c2ccccc2)nc(c(C(N)=O)n1)N,0.0
11997,CO-ADD:0305532,12.24,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc4ccccc4,0.0
11998,CO-ADD:0319810,12.24,c1(ccc(Br)o1)C(=O)Nc2cccc(Cl)c2C,0.0
11999,CO-ADD:0320619,12.24,c1(C2c3c(cccc3F)Cl)c([nH]nc1c4ccc(cc4OCC)OCC)OC(N)=C2C#N,0.0
12000,CO-ADD:0312304,12.24,S(=O)(=O)(c1ccc(cc1)C)NCc(ccc(c23)OCO2)c3,0.0
12001,CO-ADD:0307537,12.24,C(C(OCCOCCC)=O)(C1c(cc2)ccc2N(CC)CC)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
12002,CO-ADD:0311452,12.24,C(=N/c1ccccc1OC)(/SC(C(=O)Nc(cc2)ccc2C(OC)=O)CC3=O)\N3C,0.0
12003,CO-ADD:0311247,12.24,c1(NC(=O)c(c(Cl)cc(c2S(N)(=O)=O)Cl)c2)sc(c3c1C(OCC)=O)CCCC3,0.0
12004,CO-ADD:0312438,12.24,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)[nH]c(c3n1)cccc3,0.0
12005,CO-ADD:0312393,12.24,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3cccc(Cl)c3,0.0
12006,CO-ADD:0300580,12.23,C(CCC(N1)=O)(CCC(OC(C)C)=O)(C1)C(O)=O,0.0
12007,CO-ADD:0300828,12.23,S(=Nc(c12)cccc1CSc3sc4c(ccc(N)c4)n3)=N2,0.0
12008,CO-ADD:0304987,12.23,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)Br)=C(O)C(N2CC=C)=O,0.0
12009,CO-ADD:0305128,12.23,C1(O)(C#CI)C(C2)CC(CC2CC13)C3,0.0
12010,CO-ADD:0305134,12.23,N1(CC)\C(=N\CC)\S\C(=C\c(c2c([nH]3)cccc2)c3)\C1=O,0.0
12011,CO-ADD:0300975,12.23,C1(NCc2ccccc2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
12012,CO-ADD:0301207,12.23,N1(c2ccc(cc2)CCCC)CC(CC1=O)C(=O)Nc3ccccc3Cl,0.0
12013,CO-ADD:0300488,12.23,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3cc(C)ccn3,0.0
12014,CO-ADD:0300504,12.23,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc(ccc(c23)c4c(cccc4)o2)c3,0.0
12015,CO-ADD:0301162,12.23,C(=N/c(cc1)ccc1OC)(/SC(C(NCCCCCCC)=O)CC2=O)\N2C,0.0
12016,CO-ADD:0300842,12.23,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc(ccc(c2O3)OC3(F)F)c2,0.0
12017,CO-ADD:0304635,12.23,S(C)(=O)(=O)Oc1c(OC)cc(cc1OC)C=O,0.0
12018,CO-ADD:0302401,12.23,N1(C(CCSC)C(O)=O)C2C(NC1=O)NC(=O)N2,0.0
12019,CO-ADD:0302372,12.23,c1(cc(ccc1OCC(OCC)=O)N=Nc2ccccc2)C#N,0.0
12020,CO-ADD:0301237,12.23,C1(C(OCCc2ccccc2)=O)=C(C)NC(=C3C1c(ccc(c4[N+](=O)[O-])Cl)c4)CCCC3=O,0.0
12021,CO-ADD:0304248,12.23,C12(Nc(cccc3)c3C(=O)N1c4ccccc4OC)c5c(N(Cc6ccccc6Cl)C2=O)cccc5,0.0
12022,CO-ADD:0302824,12.23,C1(C(OCC)=O)(C(F)(F)F)N=C(C=CC(=C2)Cl)N2C(c3ccccc3)=N1,0.0
12023,CO-ADD:0304301,12.23,c1(C(OCC)=O)c(C2CC2)csc1NC(C)=O,0.0
12024,CO-ADD:0301581,12.23,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)CC1c3cccc(Cl)c3,0.0
12025,CO-ADD:0303499,12.22,C(=O)(Nc1c(C)cccc1C)C2(CCCCC2)N(c3ccc(cc3)OC)C(=O)CNC(C)=O,0.0
12026,CO-ADD:0301353,12.22,C(=C/c1cccn1c(cc2)ccc2[N+](=O)[O-])(/C(=O)NN3c4ccccc4)\C3=O,0.0
12027,CO-ADD:0301393,12.22,C1(C)(C)C(=O)C(CC)C(OC1=O)c2cccc(Br)c2,0.0
12028,CO-ADD:0301836,12.22,N(=Nc(cc1)ccc1C)c2cc(C)ccc2N,0.0
12029,CO-ADD:0301886,12.22,c1(NC(=O)c2ccc(cc2)C)n(c3ccccc3)ncc1C(=O)Nc(cc4)ccc4C(C)C,0.0
12030,CO-ADD:0307487,12.22,C(C(OCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(F)c3)F,0.0
12031,CO-ADD:0311226,12.22,C(O)(=O)c1cccc(c1)N(CCC(O)=O)CCC(O)=O,0.0
12032,CO-ADD:0311453,12.22,N(C(C)(C)C1)=C(C)c(c12)c(C)ccc2C,0.0
12033,CO-ADD:0311789,12.22,c(NC1CC1)(nc(OC)nc2Nc(cc3)ccc3OC(F)(Cl)F)n2,0.0
12034,CO-ADD:0311707,12.22,N1(N=C(\C(=N\Nc2ccccc2Cl)\C1=O)C)S(=O)(=O)Cc3ccccc3,0.0
12035,CO-ADD:0311991,12.22,c1(Nc(cc2)ccc2OC(F)(F)Cl)oc(c3n1)cccc3,0.0
12036,CO-ADD:0312607,12.22,c(cc1c(CC2C(C1C(=O)O)C(=O)N(C3CCCC3)C2)c4)c4,0.0
12037,CO-ADD:0312559,12.22,c1cc(c(N2C(N3Cc4ccccc4)C(Cc(occ5)c5[C@H]6C(OC)=O)[C@@H]6C2=O)cc1)C3=O,0.0
12038,CO-ADD:0312551,12.22,C(C[C@@H]1C(CN(C1=O)Cc2ccccc2)(C3)OC(C)=O)(=C3)c4cc(F)c(Cl)cc4,0.0
12039,CO-ADD:0307218,12.22,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c(ccc(c4OC(=O)N(CC5)CCO5)OC)c4,0.0
12040,CO-ADD:0305429,12.22,N1(NC(NC1=S)(CC2)CCC2C(C)(C)C)c3sc(c4n3)cccc4,0.0
12041,CO-ADD:0311240,12.21,C1(NC(COc(cc2)ccc2I)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
12042,CO-ADD:0320250,12.21,N1c(cccc2)c2C(OC1c(cc3)ccc3N(CC)CC)(CC)CC,0.0
12043,CO-ADD:0320297,12.21,N(C(C)c1ccc(cc1)CC)C(COc(ccc(c23)cccc2)c3)=O,0.0
12044,CO-ADD:0312463,12.21,C(NCCc(ccc(c1OCC)OCC)c1)(C(F)(F)F)(C(F)(F)F)NC(=O)c2ccc(cc2)Cl,0.0
12045,CO-ADD:0307455,12.21,C(=O)(Nc1c(OC)ccc(OC)c1)c2cccnc2Oc(cc3)ccc3Cl,0.0
12046,CO-ADD:0311915,12.21,S1(=O)(=O)c(cccc2)c2C(N(CC3)CCN3CCOC(c4ccccc4)=O)=N1,0.0
12047,CO-ADD:0306011,12.21,N1(C(=O)CSC1=S)NC(c2ccccc2)=O,0.0
12048,CO-ADD:0312585,12.21,C1=C[C@@]2([C@]([C@]34C(OC)=O)(C(OC)=O)[C@@]5(O[C@H]3C=C5)CSC2)O[C@H]14,0.0
12049,CO-ADD:0305839,12.21,c1(NC(COc(cc2)ccc2I)=O)sc(c3c1C#N)CCC3,0.0
12050,CO-ADD:0301106,12.21,C1(C(OCC)=O)=NN(C(c2c3c([nH]c2)cccc3)N1c4ccc(cc4)OC)c5ccccc5,0.0
12051,CO-ADD:0300651,12.21,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2ccc(c(Cl)c2)Cl,0.0
12052,CO-ADD:0300531,12.21,c1(N2CCC(CC2)C(N)=O)scc(c3cccc(cccc4)c34)n1,0.0
12053,CO-ADD:0301019,12.21,c1(OC)cc(ccc1OCc2ccccc2C)C=O,0.0
12054,CO-ADD:0300403,12.21,C1(C)([C@@H](O)C2)C(CCC1C(C)CCC(OC)=O)C(C23)CCC(C[C@@H](CC4)OC(c5ccccc5)=O)C34C,0.0
12055,CO-ADD:0305193,12.21,c1(SC(C)C)nc(c2n1CC(N)=O)cccc2,0.0
12056,CO-ADD:0305218,12.21,c1(C(C)=O)c(cc(O)cc2)c2n(CCOc3ccc(cc3C)Cl)c1C,0.0
12057,CO-ADD:0305242,12.21,C(SCC(=O)c1ccc(c(OC)c1)OC)#N,0.0
12058,CO-ADD:0303743,12.21,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(ccc3[N+](=O)[O-])o3)\C1=O)=O,0.0
12059,CO-ADD:0304107,12.21,N1C(=O)C(SC1c2ccc(cc2)F)C,0.0
12060,CO-ADD:0301576,12.21,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(c(OC)c5)O)cccc4,0.0
12061,CO-ADD:0303131,12.21,c1(cc(ccc1N(CC2)CCN2C(=O)c3ccc(cc3)C)C(F)(F)F)[N+](=O)[O-],0.0
12062,CO-ADD:0301325,12.2,c1(N(CC2)CCO2)nc(CSc3sc4c(ccc(OCC)c4)n3)nc(N)n1,0.0
12063,CO-ADD:0301720,12.2,N1(c2cccc(C)c2)C(=O)NC(\C(=C\c(ccc3Sc(cc4)ccc4C)o3)\C1=O)=O,0.0
12064,CO-ADD:0301518,12.2,N1(c(cccc2C(F)(F)F)c2)C(\C=C\c3ccccc3Cl)=Nc(c4C1=O)cccc4,0.0
12065,CO-ADD:0304285,12.2,n(c(ccc(c12)cccc1)c23)c(c4ccc(cc4)Cl)c(c35)CCC5.Cl,0.0
12066,CO-ADD:0304067,12.2,N1c(ccc(c2)[C@]34C[C@]([H])(CC(C5)([H])C3)C[C@@]5([H])C4)c2[C@]6([C@]([H])(CC=C6)[C@@H]1c(cccn7)c7)[H],0.0
12067,CO-ADD:0301517,12.2,c(cc1C(OC)=O)(c2c([nH]3)cccc2)c3c(n1)C,0.0
12068,CO-ADD:0301457,12.2,C(C1c2ccc(cc2)Cl)(=C(C)NC(CCCC3=O)=C13)C(=O)Nc4ccccc4OC,0.0
12069,CO-ADD:0302957,12.2,N1(CC(=O)N\N=C\c(cc2)ccc2N(C)C)C(=O)CN=C(c3ccccc3)c(cc(Br)cc4)c14,0.0
12070,CO-ADD:0303838,12.2,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=C3C1c(cc4OC)cc(c4O)Cl)CCCC3=O,0.0
12071,CO-ADD:0302596,12.2,N1(CN(Cc2ccco2)CN3C(=O)C4C(C5CC4C=C5)C3=O)C(=O)C6C(C7CC6C=C7)C1=O.Cl,0.0
12072,CO-ADD:0303839,12.2,C(C(OCCSCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccs3,0.0
12073,CO-ADD:0303663,12.19,N1(CC(CC1=O)C(=O)Nc(cc2)ccc2NC(C)=O)c3cccc(C)c3C,0.0
12074,CO-ADD:0301984,12.19,C(=O)(CC1C)C2C(N1)CCCC2,0.0
12075,CO-ADD:0303281,12.19,N(CN(CC1)CCO1)(N=C(N2CC=C)c3ccc(cc3Cl)Cl)C2=S,0.0
12076,CO-ADD:0310784,12.19,c(NC(=O)c(cc1OC)cc(c1OC)OC)(s2)c(C(OCC)=O)c(c2C(=O)N3CCCC3)C,0.0
12077,CO-ADD:0305637,12.19,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3OCC)C2c4ccccc4OCC,0.0
12078,CO-ADD:0305629,12.19,C(C#N)(C(c1ccc(cc1)C)CC(N2)=O)=C2SCC(=O)Nc3cccc(C)c3,0.0
12079,CO-ADD:0305621,12.19,N1(CCc(c(cccc2)c2n3C)c3C)C(C)(O)C(OC1=O)(CC4(C)C)CC(N4)(C)C,0.0
12080,CO-ADD:0311672,12.19,C(/S\C(\C1=O)=C\c(cc2OC)cc(c2OC(CC)=O)OC)(=N\C(CC)=O)\N1,0.0
12081,CO-ADD:0311811,12.19,c1(SCC(=O)OCC(=O)c2ccc(cc2C)C)sc(c3n1)cccc3,0.0
12082,CO-ADD:0305673,12.19,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)Nc3ccccc3C)C2c4ccccc4,0.0
12083,CO-ADD:0311004,12.19,C1(OC)(OC(=N2)C)C2=CC(C=C1[N+](=O)[O-])[N+](=O)[O-],0.0
12084,CO-ADD:0310974,12.19,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccccc1Cl)Nc2sc(c3c2C#N)CC(CC3)C,0.0
12085,CO-ADD:0311100,12.19,C12(CCCCC1)C(=O)C(CC)C(OC2=O)c3ccc(cc3)F,0.0
12086,CO-ADD:0307061,12.19,C(=O)(N(CC1)CCN1c(cc2)c(F)cc2[N+](=O)[O-])c3ccccc3F,0.0
12087,CO-ADD:0305770,12.19,c(CC(C)NC(=N)NC(N)=N)(c1c([nH]2)cccc1)c2.Cl,0.0
12088,CO-ADD:0323409,12.19,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n2)Cc(cc4)ccc4C(C)(C)C,0.0
12089,CO-ADD:0320261,12.19,c1(SCC(=O)N2CCCCC2)nc(C)cc(COC)c1C#N,0.0
12090,CO-ADD:0305791,12.19,c1(NC(=O)C(C)Oc(ccc(c2C)Cl)c2)sc(c3c1C(N)=O)CCCC3,0.0
12091,CO-ADD:0306275,12.19,C1(=COc(c2C1=O)ccc(Cl)c2)C3C4=C(CCCC4=O)NC(C)=C3C(OC)=O,0.0
12092,CO-ADD:0305482,12.19,c1(cc(F)c(cc1Cl)F)C(=O)Nc(cccc2NC(=O)c(cc3OC)cc(c3OC)OC)c2,0.0
12093,CO-ADD:0305834,12.19,c1(NC(=O)c2ccc(cc2)OCc3c(cccc3F)Cl)sc(c4c1C(N)=O)CCCC4,0.0
12094,CO-ADD:0305503,12.19,S(c1ccccc1)(=O)(=O)N(CC)CCNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],0.0
12095,CO-ADD:0300556,12.19,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccccc5OC)cccc4,0.0
12096,CO-ADD:0305191,12.19,[nH]1c(SCC(=O)Nc(cc2)ccc2C)nc3c1ncnc3N,0.0
12097,CO-ADD:0301971,12.19,C1(=O)N(CC)c2c(cc(c(c2)n3)nc(c34)c5c(cccc5)C4=O)N1CC,0.0
12098,CO-ADD:0303651,12.19,c1(c2)c(cc(OC)c2NC(=S)Nc3ccccc3C)c4c(cccc4)o1,0.0
12099,CO-ADD:0301520,12.18,c1([N+](=O)[O-])c(N(CC2)CCO2)ccc(n[se]n3)c13,0.0
12100,CO-ADD:0301526,12.18,C1(NS(=O)(=O)c2cccc(n[se]n3)c23)=C(C)N(N(c4ccccc4)C1=O)C,0.0
12101,CO-ADD:0301853,12.18,C1(=COc(c2C1=O)cccc2)C3C4=C(CCCC4=O)NC(C)=C3C(OC)=O,0.0
12102,CO-ADD:0302970,12.18,c1(\C=N\NC(CCCO)=O)cc(Br)ccc1O,0.0
12103,CO-ADD:0324043,12.18,c1(cc(F)c(cc1N(CC2)CCN2)N3CCCCCC3)[N+](=O)[O-],0.0
12104,CO-ADD:0321001,12.18,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccccc5)C(OC)=O,0.0
12105,CO-ADD:0321017,12.18,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc2ccccc2OC(F)(F)C(F)F,0.0
12106,CO-ADD:0323214,12.18,c(nc(Nc(cc1)ccc1OC(F)(Cl)F)nc2n3c(C)cc(C)n3)(n4c(C)cc(C)n4)n2,0.0
12107,CO-ADD:0324534,12.18,C1(C2c3ccc(cc3)OCCC)=C(CCCC1=O)Nc(ccc(cccc4)c45)c25,0.0
12108,CO-ADD:0323472,12.18,c1(c2)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])oc2c(ccc(c34)OCO3)c4,0.0
12109,CO-ADD:0306033,12.18,c1(N2CCC(CC2)Cc3ccccc3)scc(c4ccc(cc4)OC)n1,0.0
12110,CO-ADD:0305633,12.18,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2C)C1c3ccc(cc3)Cl,0.0
12111,CO-ADD:0306280,12.18,N1(CCC2)N2C1c(cc3)ccc3[N+](=O)[O-],0.0
12112,CO-ADD:0305930,12.18,c1(NC(=O)c2ccco2)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
12113,CO-ADD:0311893,12.18,c12c(nsn1)c(Cl)cc(Sc3ncnc([nH]cn4)c34)c2[N+](=O)[O-],0.0
12114,CO-ADD:0311567,12.18,c12c(C(N(C)C(=O)N1C)=O)n(c(N3CCCCCC3)n2)CC(=O)c4ccc(cc4)Br,0.0
12115,CO-ADD:0307109,12.18,N1(Cc2ccccc2)C(=S)SC(C(OCC)=O)=C1N,0.0
12116,CO-ADD:0307101,12.17,c1(noc(c(cccc2[N+](=O)[O-])c2)n1)c3nonc3N,0.0
12117,CO-ADD:0306871,12.17,N(CC1N2CCc(cccc3)c13)(C2c4ccccc4)S(c5ccccc5)(=O)=O,0.0
12118,CO-ADD:0307401,12.17,c1(noc(C(C)Oc(ccc(c2C)C)c2)n1)c3nonc3N,0.0
12119,CO-ADD:0305702,12.17,C(C#N)(C1c2cccs2)=C(SCC(=O)Nc3cccc(Cl)c3C)NC(CC(C)(C)CC4=O)=C14,0.0
12120,CO-ADD:0311311,12.17,S(=O)(=O)(N(CC1)CCO1)c2c(C)cc(c(C)c2)Br,0.0
12121,CO-ADD:0320561,12.17,[nH](c(ccc(c1)OCc2ccccc2)c1c3CCN)c3C,0.0
12122,CO-ADD:0319874,12.17,n1(Cc(c(OC)ccc2C3SCC(C(O)=O)N3)c2)c(C)c(c(C)n1)Br,0.0
12123,CO-ADD:0320380,12.17,C(NCCOc1cccc(OC)c1)(=O)c2ccc(cc2)C,0.0
12124,CO-ADD:0319893,12.17,c1(C2c3cccs3)c([nH]nc1c4ccc(cc4OCC)OCC)OC(N)=C2C#N,0.0
12125,CO-ADD:0319423,12.17,C1(N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])=CC(OC14CCCCC4)=O,0.0
12126,CO-ADD:0323396,12.17,c1(c(C)ccc(nsn2)c12)S(=O)(=O)NCc(cc3)ccc3S(N)(=O)=O,0.0
12127,CO-ADD:0305732,12.17,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5ccc(cc5)O)cccc4,0.0
12128,CO-ADD:0311680,12.17,c12c(n(c(SCC(=O)N(CC3)CCO3)n1)C(C)CC)C(N(C)C(=O)N2C)=O,0.0
12129,CO-ADD:0311267,12.17,[N+](=O)([O-])c(cc1)ccc1C(=O)N\C(=C\c2ccco2)\C(=O)Nc3cccc(C)c3,0.0
12130,CO-ADD:0311255,12.17,N12C(C=CC=C1)=Nc(c3C2=O)cc(cc3)Br,0.0
12131,CO-ADD:0307246,12.17,S(=O)(=O)(N(C)Cc1ccccc1)c2nc(C)c(c(C)c2C#N)Cl,0.0
12132,CO-ADD:0307199,12.16,c1(c(CC(Cl)(Cl)Cl)c(n2N(C)C)C)c2CC(C)(C)CC1=O,0.0
12133,CO-ADD:0304834,12.16,N1(CC(COc2ccccc2)OC(c(ccc(c34)OCO3)c4)O1)C(c5ccccc5)=O,0.0
12134,CO-ADD:0304467,12.16,c12c(nnc(SCC(=O)Nc3ccc(cc3F)F)n1)c(c4n2C(C)C)cccc4,0.0
12135,CO-ADD:0304452,12.16,n1(c2ccccc2)nc(c(C(O)=O)n1)N,0.0
12136,CO-ADD:0302898,12.16,c12c(c3c(cccc3)[nH]1)nnc(N\N=C\c(cc4)ccc4C#N)n2,0.0
12137,CO-ADD:0303236,12.16,c1(NC(=O)c2cccc(Cl)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
12138,CO-ADD:0301858,12.16,c12c(cc(Br)c(cccc3)c13)C(CC(=O)N2)c(cc4)ccc4C(F)(F)F,0.0
12139,CO-ADD:0302048,12.16,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C\c(ccc3Sc(cc4)ccc4C)o3)\C1=O)=O,0.0
12140,CO-ADD:0302027,12.16,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCO2,0.0
12141,CO-ADD:0304024,12.16,N1(c2ccccc2)C(CC=N1)C\C(\c3ccccc3)=N/Nc4ccccc4,0.0
12142,CO-ADD:0303013,12.16,n1(c2cccc(cccc3)c23)nnnc1SCC(=O)Nc(cc4)ccc4OCC,0.0
12143,CO-ADD:0302997,12.16,C1(SC(C(=O)N1c2ccc(cc2)Cl)C)(c3c(N4CN(CC5)CCC5C(OCC)=O)cccc3)C4=O,0.0
12144,CO-ADD:0302758,12.16,c12c(C(N(C)C(=O)N1C)=O)n(c(SCc3ccccc3F)n2)Cc(ccc(c4Cl)Cl)c4,0.0
12145,CO-ADD:0303931,12.16,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c3cc(Br)ccc3OC,0.0
12146,CO-ADD:0302502,12.16,C(=O)(N(c1ccccc1)c2ccccc2)c3ccccc3C(=O)Nc4cccc(Cl)c4,0.0
12147,CO-ADD:0301673,12.16,C1(c2ccccc2[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(cc3)ccc3[N+](=O)[O-],0.0
12148,CO-ADD:0301964,12.16,C1(=O)N(CC(=O)NC(C)(C)C)c2c(cccc2)N1CC(=O)NC(C)(C)C,0.0
12149,CO-ADD:0303686,12.16,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3scc(c4ccccc4)n3,0.0
12150,CO-ADD:0304390,12.16,c12n(ncn1N)c(nn2)SCc3nnc(SC)s3,0.0
12151,CO-ADD:0302615,12.15,C(=O)(Nc(cc1)ccc1Br)c2ccccc2NC(=O)C(C)Oc(cc3)ccc3Cl,0.0
12152,CO-ADD:0303629,12.15,N1(Cc2ccccc2)C(c(cc3)ccc3[N+](=O)[O-])Sc(c4C1=O)cccc4,0.0
12153,CO-ADD:0303561,12.15,C(C#N)(C(c(cc1)ccc1[N+](=O)[O-])CC(N2)=O)=C2SCC(=O)Nc3ccc(cc3C)C,0.0
12154,CO-ADD:0307352,12.15,N1(\N=C\c(ccc(c2OC)OC)c2)C(C)=Nc(c3C1=O)cccc3,0.0
12155,CO-ADD:0307037,12.15,c1(C2c(cc(OCC)c(c3[N+](=O)[O-])O)c3)c([nH]nc1c4ccc(cc4)Cl)OC(N)=C2C#N,0.0
12156,CO-ADD:0307388,12.15,c1(cc(C=O)cc(OCC)c1O)[N+](=O)[O-],0.0
12157,CO-ADD:0307652,12.15,N1(C(C)=O)c2c(cccc2)CCc(ccc(c3)NC(=O)c4ccccc4SC)c13,0.0
12158,CO-ADD:0312258,12.15,C1(C(OCC)=O)=C(c2ccccc2)N(C(=O)NC1c3c(cccc3F)Cl)C,0.0
12159,CO-ADD:0312462,12.15,C(NCCOC(CC(CC12)CC3C1)(C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccc(cc4)Cl,0.0
12160,CO-ADD:0307110,12.15,n1c(N)[nH]nc1c2ccccc2OC,0.0
12161,CO-ADD:0305592,12.15,c([N+](=O)[O-])(c1Cl)c(Cl)nc(Cl)c1C(=O)Nc(cc2)ccc2OC,0.0
12162,CO-ADD:0311068,12.15,N1(c2ccc(cc2)F)C(=O)\C(\SC1=N)=C\c(cc3OCC)cc(c3O)Cl,0.0
12163,CO-ADD:0307526,12.15,N1(c(cc2)c(OC1=O)cc2S(=O)(=O)N3CCCCC3)C(C(C)Cl)=O,0.0
12164,CO-ADD:0311425,12.15,N1(C(OCCCl)=O)c(cc2)c(OC1=O)cc2S(=O)(=O)N(CC3)CCO3,0.0
12165,CO-ADD:0320386,12.15,C(=O)(Nc1ccccc1OC)C(=O)NC(CC2(C)C)CC(N2)(C)C,0.0
12166,CO-ADD:0320194,12.15,c12c(ccc(C(=O)Nc(cc3)ccc3Cl)c1SC)C(=O)c(c4C2=O)cccc4,0.0
12167,CO-ADD:0320390,12.15,N1(c(cc2)ccc2C(O)=O)C(=O)NC(\C(=C\c(cc3)ccc3N(C)C)\C1=O)=O,0.0
12168,CO-ADD:0320214,12.15,N1(CCCCCC(=O)NCc2ccccn2)C(=O)c3c(cccc3)C1=O,0.0
12169,CO-ADD:0319259,12.15,c1(c2c(cs1)CCCC2)C(=O)Nc3cccc(cccc4)c34,0.0
12170,CO-ADD:0319275,12.15,c1(SCC(=O)Nc(cc2)ccc2C(C)C)sc(c3n1)cccc3,0.0
12171,CO-ADD:0320792,12.15,N1(c2ccccc2OCC)C(=O)NC(\C(=C/c3ccc[nH]3)\C1=O)=O,0.0
12172,CO-ADD:0323888,12.15,C1(C(F)(F)F)(C(F)(F)F)NC(C(Cl)C12)C(C2)Cl,0.0
12173,CO-ADD:0321373,12.15,N1(c2ccc(cc2)F)C(=O)C(N(CCc(cc3)ccc3OC)C1=S)CC(=O)Nc(cc4)ccc4OC(F)(Cl)F,0.0
12174,CO-ADD:0323376,12.15,S(=O)(=O)(N(CC1)CCO1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(=O)Nc(cc5)ccc5OC(F)(Cl)F)=O)=N4)c2,0.0
12175,CO-ADD:0300497,12.15,N(C1c2ccc(cc2)C)(C(=O)C(=C1C(C)=O)O)c3sc(c4n3)cccc4,0.0
12176,CO-ADD:0300744,12.15,c1(C=O)cc(ccc1O)N=Nc(cc2)ccc2OCC,0.0
12177,CO-ADD:0300889,12.14,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc(ccc(c4OC)OC)c4,0.0
12178,CO-ADD:0300273,12.14,N1=C(c2c3cccc2)c(c(C(=O)N1c4ccccc4)ccc5N6CCCCC6)c5C3=O,0.0
12179,CO-ADD:0305082,12.14,c1(C#N)c(COC)cc(nc1SCC(=O)Nc(cc2)ccc2N=Nc3ccccc3)C,0.0
12180,CO-ADD:0304923,12.14,n1c2c(cccc2)ccc1C(NCCc3cccc(cccc4)c34)=O,0.0
12181,CO-ADD:0304604,12.14,c1(OCC(C)=C)c(I)cc(cc1I)C=O,0.0
12182,CO-ADD:0304981,12.14,N1(c(cc2Cl)cc(c2N)Cl)C(=O)C(C(C3c(c45)cccc4)C1=O)C5c(c36)cccc6,0.0
12183,CO-ADD:0304399,12.14,c(c1c2ccccc2)(C3\C(\C)=C\c4ccco4)c([nH]n1)OC(N)=C3C#N,0.0
12184,CO-ADD:0302741,12.14,N1(CC(COc2ccccc2)OC(c3ccc(cc3)OC)O1)C(c4ccccc4)=O,0.0
12185,CO-ADD:0302774,12.14,c1(OCc(ccc(c23)OCO2)c3)nonc1N,0.0
12186,CO-ADD:0302089,12.14,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=Nc(c3C(=O)O1)ccc(I)c3,0.0
12187,CO-ADD:0301911,12.14,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCc2[nH]c(c3n2)cccc3,0.0
12188,CO-ADD:0303286,12.14,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc(cccc2C(C)=O)c2,0.0
12189,CO-ADD:0303937,12.14,C1(C(=O)OC(C)C)=C(C)NC(CC1c(cc(OC)c(c2OC)OC)c2Br)=O,0.0
12190,CO-ADD:0302645,12.14,S(=O)(=O)(c1ccc(cc1)NC(=O)c2c(cccc2OC)OC)Nc3cc(OC)nc(OC)n3,0.0
12191,CO-ADD:0302630,12.14,N1(c2cccc(OC)c2)C(\C=C\c3cc(Br)ccc3O)=Nc(c4C1=O)cccc4,0.0
12192,CO-ADD:0302620,12.14,N1(c2ccccc2)C(\C=C\c3cc(Br)ccc3O)=Nc(c4C1=O)cccc4,0.0
12193,CO-ADD:0301288,12.14,c1(NC(CC)=O)cc(OCCO2)c2cc1C(CC)=O,0.0
12194,CO-ADD:0301281,12.14,c1(SCCOc(cc2)ccc2Cl)n(C)c3c(cccc3)n1,0.0
12195,CO-ADD:0307563,12.14,C(/C#N)(=C/c1ccc(C)o1)\C(=O)Nc2ccccc2C(OCC)=O,0.0
12196,CO-ADD:0310779,12.13,C(C(OC)=O)(=CN(Cc(ccc(c1OC)OC)c1)C=C2C(OC)=O)C2c3cccs3,0.0
12197,CO-ADD:0312056,12.13,C1(NC(CSc2nnc(N)s2)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
12198,CO-ADD:0307135,12.13,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c4ccc(c5c4)OCO5,0.0
12199,CO-ADD:0307389,12.13,N1(CCC[C@@]1([H])C(=O)Nc2ccccc2C(c3ccccc3)=O)Cc4ccccc4,0.0
12200,CO-ADD:0307623,12.13,C1(C(C)=O)=C(C)NC(NC1c2ccc(c(Cl)c2)Cl)c(ccc(c3Cl)Cl)c3,0.0
12201,CO-ADD:0311505,12.13,C1(CCC(NC1c2ccccc2Br)=O)[N+](=O)[O-],0.0
12202,CO-ADD:0312435,12.13,N1(CCCC(=O)Nc(cc2)ccc2C(O)=O)C(=O)c3c(cccc3)C1=O,0.0
12203,CO-ADD:0312413,12.13,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)OC)Nc2sc(c(c3ccccc3)c2C(OCC)=O)CC,0.0
12204,CO-ADD:0305745,12.13,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5ccccc5OC(C)C)cccc4,0.0
12205,CO-ADD:0307569,12.13,C(/C#N)(=C/c1cccs1)\C(=O)Nc(cc2)ccc2C(OCCCC)=O,0.0
12206,CO-ADD:0310960,12.13,C(Nc(cc1)ccc1OC(F)(F)F)(C(OC)=O)(C(F)(F)F)NC(=O)c2cccc(Cl)c2,0.0
12207,CO-ADD:0320336,12.13,C(/C#N)(\C(N)=O)=C(/O)\C(\O)=C/C(c1ccccc1)=O,0.0
12208,CO-ADD:0320270,12.13,c1(C#N)c(C)c(Cl)c(nc1SCC(=O)Nc2cccc(cccc3)c23)C,0.0
12209,CO-ADD:0323427,12.13,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(cc3)ccc3OC(F)(Cl)F)n2)Cc(cc4)ccc4C(C)(C)C,0.0
12210,CO-ADD:0321381,12.13,N1(N=C(\C(=C(/C)\NC(Cc2c[nH]cn2)C(O)=O)\C1=O)C)c3sc(c4n3)cccc4,0.0
12211,CO-ADD:0320717,12.13,n1c(CCNC(=O)c2ccc(cc2)Br)scc1c3ccccc3,0.0
12212,CO-ADD:0320743,12.13,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(cc3)O,0.0
12213,CO-ADD:0324293,12.13,n1(c2ccc(cc2)OC)nnnc1SCC(NCCc(ccc(c3OCC)OCC)c3)=O,0.0
12214,CO-ADD:0323813,12.13,N1(C(C)(C)CC(CC1(C)C)OC(=O)c2ccco2)OC(=O)c3ccco3,0.0
12215,CO-ADD:0304445,12.13,c1(C(N)=O)nonc1NC=O,0.0
12216,CO-ADD:0304525,12.13,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3Br)C2c4ccco4,0.0
12217,CO-ADD:0300515,12.12,C1(OCCCO1)c2ccc(cc2)O,0.0
12218,CO-ADD:0301053,12.12,C(=O)(c(cc1)ccc1C#CC(C)(C)O)N(CC2)CCN2c3ccc(c(Cl)c3)Cl,0.0
12219,CO-ADD:0300669,12.12,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cc(Br)ccc5F)cccc4,0.0
12220,CO-ADD:0301181,12.12,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(ccc(c4Br)OCC(OC)=O)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
12221,CO-ADD:0304479,12.12,S1(=O)(=O)c(cccc2)c2C(N=NN=P(N(CC)CC)(N(CC)CC)N(CC)CC)=N1,0.0
12222,CO-ADD:0300915,12.12,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4ccccc4Br)[N+](=O)[O-],0.0
12223,CO-ADD:0300707,12.12,C1(c2ccccc2OCc(cc3)ccc3[N+](=O)[O-])N(CCCN1Cc4ccccc4)Cc5ccccc5,0.0
12224,CO-ADD:0305188,12.12,C(C(OC)=O)(=CN(C(C)c1ccccc1)C=C2C(OC)=O)C2c3cccc(OC)c3,0.0
12225,CO-ADD:0304764,12.12,c1(n(C)c2c(cccc2)n1)c3nonc3NC(=O)c4ccccc4Cl,0.0
12226,CO-ADD:0301699,12.12,c1(C(F)(F)F)n(CCOc(cc2)ccc2Cl)c3c(cccc3)n1,0.0
12227,CO-ADD:0301676,12.11,S1(=O)(=O)c2c(c(ccc3NC(c4ccccc4)=O)N1)c3ccc2,0.0
12228,CO-ADD:0301586,12.11,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc5OCC)cc(c5O)Br)cccc4,0.0
12229,CO-ADD:0301811,12.11,c1(NC(=O)C23CC(CC4C2)CC(C4)C3)sc(c(C)c1C(OCC)=O)C(=O)Nc5ccccc5C,0.0
12230,CO-ADD:0303895,12.11,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c(cc5)ccc5[N+](=O)[O-],0.0
12231,CO-ADD:0303737,12.11,N1(c2ccccc2)C(=O)\C(=C\C=C\c3ccco3)\C(NC1=S)=O,0.0
12232,CO-ADD:0304376,12.11,N1(C(NCCCC)=O)c(cc2)c(OC1=O)cc2S(=O)(=O)N3CCCCC3,0.0
12233,CO-ADD:0303680,12.11,[N+](=O)([O-])c(ccc(n1)NCc(cc2)ccc2C(C)(C)C)c1,0.0
12234,CO-ADD:0302083,12.11,c(cc(cc1C(O)=O)NC(Cc(cc2)ccc2Cl)=O)(c1)C(O)=O,0.0
12235,CO-ADD:0301926,12.11,c1(ccc(c(N)c1)Cl)C(=O)c2ccc(cc2)N,0.0
12236,CO-ADD:0303287,12.11,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc(cccc2C(O)=O)c2,0.0
12237,CO-ADD:0303673,12.11,N1(c(cc2)ccc2C(C)(C)C)CC(CC1=O)C(O)=O,0.0
12238,CO-ADD:0321287,12.11,N1(C(C)C(=O)Nn(cnn2)c2)C(=O)c3c(cccc3)C1=O,0.0
12239,CO-ADD:0321480,12.11,C1(=Nc(cccc2)c2C(c3ccccc3)(c4ccccc4)N1)C5=C(COC)C=C(NC5=O)C,0.0
12240,CO-ADD:0321362,12.11,n1c(SCCC(O)=O)cc(c2c1ccc(c2)C)C,0.0
12241,CO-ADD:0319298,12.11,c1(nonc1N)\C(=N/O)\NC(=O)C(F)(F)F,0.0
12242,CO-ADD:0312211,12.11,N1(C(=O)CC(SC1=N)C(=O)Nc2cccc(OCC)c2)\N=C(/C)\c3ccc(Br)s3,0.0
12243,CO-ADD:0311183,12.11,N1(CCN(CCCCC)CCN2C(=O)c3c(cccc3)C2=O)C(=O)c(c4C1=O)cccc4,0.0
12244,CO-ADD:0307236,12.11,c12c(n(cn1)Cc(nc(N)nc3N4CCCCC4)n3)C(N(C)C(=O)N2C)=O,0.0
12245,CO-ADD:0307196,12.11,c1(c(CC(Cl)(Cl)Cl)c(n2c(ccc(c3[N+](=O)[O-])F)c3)C)c2CC(C)(C)CC1=O,0.0
12246,CO-ADD:0311186,12.11,S(=O)(=O)(c1ccc(cc1)C)N(CC(O)CN2CCCCC2)c3cccc(cccc4)c34,0.0
12247,CO-ADD:0311209,12.11,C(=O)(N1CCCCC1)c2ccccc2C(=O)Nc3ccccc3,0.0
12248,CO-ADD:0305435,12.11,C(=C/c1c(OC)ccc(cccc2)c12)(/C(=O)OC3(O4)CCCCC3)\C4=O,0.0
12249,CO-ADD:0312103,12.1,C(=O)(c1cccs1)N(CC2)CCN2c(cc3C)c(F)cc3C(C)=O,0.0
12250,CO-ADD:0307075,12.1,C(=O)(c1ccc(cc1)Br)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
12251,CO-ADD:0306977,12.1,C(C#N)(C1c2ccc(cc2)OCc3ccccc3F)=C(N)OC(CC(c4ccco4)CC5=O)=C15,0.0
12252,CO-ADD:0306881,12.1,C(C#N)(C1c2ccc(cc2)OC(=O)N(CC3)CCO3)=C(N)OC(CC(c4ccco4)CC5=O)=C15,0.0
12253,CO-ADD:0311836,12.1,c1(N(CC2)CCN2C)nc(OCC(F)(F)F)nc(Nc(cc3)ccc3OC(F)(Cl)F)n1,0.0
12254,CO-ADD:0323655,12.1,[N+](=O)([O-])c1ccccc1C(NCCc(c2c([nH]3)cccc2)c3C)=O,0.0
12255,CO-ADD:0320257,12.1,c1(cc2c(cc1[N+](=O)[O-])[nH]c(CSc3nc(C)c(c(C)c3C#N)Cl)n2)[N+](=O)[O-],0.0
12256,CO-ADD:0324214,12.1,C1(C(OCCCCC)=O)=C(C)NC(NC1c2ccc(c(Br)c2)F)=O,0.0
12257,CO-ADD:0323070,12.1,S(=O)(=O)(c1ccc(cc1)C)\N=C(/c2ccccc2)\Nc(ccc(c3C(O)=O)O)c3,0.0
12258,CO-ADD:0324262,12.1,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCO,0.0
12259,CO-ADD:0323782,12.1,N1(CCc(ccc(c2OC)OC)c2)C(=O)CC(Cc(cc3)ccc3C)C1=O,0.0
12260,CO-ADD:0300966,12.1,S(c1ccccc1)(=O)(=O)NC(CC)(c2ccccc2)C(O)=O,0.0
12261,CO-ADD:0300534,12.1,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(cc5)OCc6ccccc6)cccc4,0.0
12262,CO-ADD:0301127,12.1,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(N(CC=C)C1=S)CC(=O)Nc(cc3)ccc3OC,0.0
12263,CO-ADD:0301175,12.1,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c(cccn1)c1)Nc2sc(c(CC)c2C(OC)=O)C,0.0
12264,CO-ADD:0304507,12.1,S1(=O)c(cc(N=[N+]=[N-])cc2N=[N+]=[N-])c2C(=O)N1c3ccccc3,0.0
12265,CO-ADD:0304472,12.1,c1(noc(c2ccc(cc2Cl)Cl)n1)c3nonc3N,0.0
12266,CO-ADD:0304074,12.1,N1(C2)C(S\C(=C/c3ccco3)\C1=O)=NCN2c4ccc(c5c4)OCO5,0.0
12267,CO-ADD:0302152,12.1,C(O)(=O)c1cccc(c1)NC(COc(cc2)ccc2C)=O,0.0
12268,CO-ADD:0303867,12.1,n1nc(c2n1Cc3ccc(cc3Cl)Cl)cccc2,0.0
12269,CO-ADD:0301466,12.1,c(C(=O)N1CCCCC1)(s2)c(C)c(c2NC(COc(cc3)ccc3Cl)=O)C(OCC)=O,0.0
12270,CO-ADD:0302574,12.09,C(=C\c(cc1Br)cc(c1OCc(cc2)ccc2C)Br)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
12271,CO-ADD:0303861,12.09,N(CC1C)(CC(O1)C)C(=S)c2ccc(cc2)OC,0.0
12272,CO-ADD:0303953,12.09,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c3cccs3,0.0
12273,CO-ADD:0307313,12.09,N(c1c(cccc1)NC(CC(c2ccc(cc2)F)CC3=O)=C34)(C(c5ccccc5)=O)C4c6cccc(OC)c6,0.0
12274,CO-ADD:0311975,12.09,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccccc2)N(CC3)CCN3C(C)=O,0.0
12275,CO-ADD:0323414,12.09,c12c(n(c(SCC(=O)Nc(c(C(N)=O)nn3c4ccccc4)n3)n1)CCCC)C(N(C)C(=O)N2C)=O,0.0
12276,CO-ADD:0323438,12.09,c1(N2CCCCC2)nc(COc(cc3)ccc3F)nc(N)n1,0.0
12277,CO-ADD:0321475,12.09,n1(CC(=O)N(c2cccc(Cl)c2)C3(CCCCC3)C(=O)Nc4ccccc4)nnnc1N,0.0
12278,CO-ADD:0320996,12.09,C12(c3c(cccc3)C(=NN1c4ccccc4)CC)SC(=NN2c5ccccc5)C(c6ccccc6)=O,0.0
12279,CO-ADD:0323598,12.09,O1c2c(CC1C(O)OCC3Cc(c4O3)cccc4)cccc2,0.0
12280,CO-ADD:0306300,12.09,C(F)(F)(F)c(cc1)ccc1C(=O)Nc(cc2)ccc2OCC,0.0
12281,CO-ADD:0305983,12.09,C1(c2c(cccc2)C(O3)=O)=C3c4c(cccc4)OC1=O,0.0
12282,CO-ADD:0312022,12.09,C(F)(F)(Cl)Oc(cc1)ccc1NC(CSc2ccccn2)=O,0.0
12283,CO-ADD:0311730,12.08,C12(Nc(cccc3)c3C(=O)N1c4ccc(cc4)Cl)c5c(N(CC=C)C2=O)cccc5,0.0
12284,CO-ADD:0311940,12.08,c1(cc2c(cc1OCC(=O)NC(C)(C)C)cccc2)C(=O)Nc3c(OC)cc(c(OC)c3)Cl,0.0
12285,CO-ADD:0305650,12.08,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(Cl)c3)C2c4ccccc4,0.0
12286,CO-ADD:0310776,12.08,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5cc(OC)ccc5OC)cccc4,0.0
12287,CO-ADD:0311882,12.08,S(=O)(=O)(c1ccc(cc1)Cl)NCC(Cl)C#N,0.0
12288,CO-ADD:0307391,12.08,c(C(O)=O)(c1c2cccc1)cc(n2)c3ccccc3,0.0
12289,CO-ADD:0306105,12.08,c1(cc(F)c(cc1N(CC2)CCN2C(CC)=O)N3CCCCC3)[N+](=O)[O-],0.0
12290,CO-ADD:0311554,12.08,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4cccc(OC)c4)n1c5ccccc5OCCCC,0.0
12291,CO-ADD:0320251,12.08,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c5ccc(cc5)OCC)O1,0.0
12292,CO-ADD:0320609,12.08,[N+](=O)([O-])c1ccc(cc1)NCCCNC(=O)c2cccc(Br)c2,0.0
12293,CO-ADD:0323428,12.08,c1(nc(c2n1CC(=O)Nc(c(C(N)=O)nn3c4ccccc4)n3)cccc2)c5nonc5N,0.0
12294,CO-ADD:0320510,12.08,C(=N/c1ccccc1OC)(/SC(C(=O)Nc(cc2)ccc2OC(Cl)(F)F)CC3=O)\N3C,0.0
12295,CO-ADD:0323426,12.08,c(NC(CSc1nnnn1c2cccc(Cl)c2)=O)(c(C(N)=O)nn3c4ccccc4)n3,0.0
12296,CO-ADD:0324310,12.08,c12c(CCNC1c3cc(F)ccc3F)cc(c(OCC)c2)OCC.Cl,0.0
12297,CO-ADD:0323176,12.08,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OCC)c4)O,0.0
12298,CO-ADD:0324503,12.08,C1(=C(CC(c2ccco2)CC1=O)Nc(c3N4C(CCC(O)=O)=O)cccc3)C4c5cccs5,0.0
12299,CO-ADD:0323313,12.08,n1(CC=C)c(c2ccc(c(Cl)c2)Cl)nnc1Sc3c(c4ccccc4)c5c(nc3O)cccc5,0.0
12300,CO-ADD:0321557,12.08,C1(NCCc(cc(c(OCC)c2)OCC)c12)c3c(OC)ccc(cccc4)c34,0.0
12301,CO-ADD:0301229,12.08,c1(cc(cc2)NC(CSc3[nH]c(c4n3)ccc(C)c4)=O)c2C(=O)c(c5C1=O)cccc5,0.0
12302,CO-ADD:0304707,12.08,n1(c(cccc2C)c2n3)c3S\C(=C/c(c(cccc4)c4n5C)c5c6ccccc6)\C1=O,0.0
12303,CO-ADD:0301090,12.08,N1(c2ccc(cc2)OC)C(c3ccccc3)N(N=C1C(C)=O)c4ccc(cc4)C,0.0
12304,CO-ADD:0300855,12.08,C(SC(=N1)c2ccc(cc2)C)(=N3)N1C(C=C3N(CC4)CCN4c5ccc(cc5[N+](=O)[O-])C(F)(F)F)=O,0.0
12305,CO-ADD:0300863,12.07,S(NCCNc1c(cccc1[N+](=O)[O-])Cl)(=O)(=O)c2ccc(cc2)C,0.0
12306,CO-ADD:0300895,12.07,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3c(cccc3[N+](=O)[O-])Cl,0.0
12307,CO-ADD:0300999,12.07,c1(scc(c2ccc(cc2)F)n1)N3CCCC3C(=O)OCc4ccccc4,0.0
12308,CO-ADD:0301143,12.07,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc(OCC)c(c4[N+](=O)[O-])O)c4)cc(c(C)c3)C,0.0
12309,CO-ADD:0302598,12.07,N1(c2ccccc2Cl)C(=O)C(C(C(c3c4cccc3)c(c56)cccc5)C1=O)C46,0.0
12310,CO-ADD:0301686,12.07,C(NC(C)=N)#N,0.0
12311,CO-ADD:0302840,12.07,N1(c(cc2)ccc2C(OC)=O)C(=O)CC(N(CC3)CCC3(O)c4ccc(cc4)Br)C1=O,0.0
12312,CO-ADD:0303063,12.07,c12c(cc(C)nc1N)C(NC2=O)=O,0.0
12313,CO-ADD:0301949,12.07,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCC(=O)N(CC4)CCN4c5sc(c6n5)cccc6)N3c7ccccc7,0.0
12314,CO-ADD:0302063,12.07,c1(ccccc1NC(=O)c2ccc(cc2)OCC)C(O)=O,0.0
12315,CO-ADD:0306052,12.07,C(C)(C1)(COC(c2ccccc2)O1)C(O)=O,0.0
12316,CO-ADD:0311013,12.07,c1(NC(=O)c2cccs2)sc(c3c1C(=O)NCc(cccn4)c4)CCCC3,0.0
12317,CO-ADD:0310751,12.07,C(C(OCC)=O)(=CN(c1cc(C)ccc1C)C=C2C(OCC)=O)C2c3cccc(OC)c3OC,0.0
12318,CO-ADD:0310818,12.07,c1(N(CC2)CCO2)nc(Nc(cccc3C(F)(F)F)c3)nc(Nc(cc4)ccc4OC(F)(F)Cl)n1,0.0
12319,CO-ADD:0311872,12.07,C(C)(C)(C(=O)C1CC)C(=O)OC1c2ccccc2F,0.0
12320,CO-ADD:0324146,12.07,S(=O)(=O)(c1ccc(cc1)I)N(CC2)C(C)CN2S(=O)(=O)c3ccc(cc3)I,0.0
12321,CO-ADD:0305569,12.07,N1(c2cccc(C)c2)C(c3ccccc3OCc4ccccc4)N(N=C1C(C)=O)c5ccccc5,0.0
12322,CO-ADD:0305585,12.07,c1(cc(ccc1OC)C=O)OCc2cccc(Cl)c2,0.0
12323,CO-ADD:0305610,12.07,c1(cc(cc2c1cc3c(n2)ccc(c3)OC(F)(F)F)[N+](=O)[O-])[N+](=O)[O-],0.0
12324,CO-ADD:0306026,12.07,c1(cc(Cl)cc(Cl)c1O)C2N(CCN2Cc(cc3)ccc3Cl)Cc(cc4)ccc4Cl,0.0
12325,CO-ADD:0305968,12.07,C1(=Cc2c(OC1=O)cccc2)c3csc(Cc4csc(c5ccc(cc5)C)n4)n3,0.0
12326,CO-ADD:0305960,12.06,C(C#N)(=C(SC)NC(C1c2scc(c3ccc(cc3)C)n2)=N)C14CCCCC4,0.0
12327,CO-ADD:0310852,12.06,C(C1)(c2ccc(cc2O)C)=Nc(cccc3)c3N=C1c4cccc(Br)c4,0.0
12328,CO-ADD:0306778,12.06,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3C,0.0
12329,CO-ADD:0307449,12.06,S(NCC=C)(=O)(=O)c1c(C)cc(nc1Cl)Cl,0.0
12330,CO-ADD:0306129,12.06,N(C(N)=CC(N1)=O)=C1SCC(=O)c(ccc(c23)OCO2)c3,0.0
12331,CO-ADD:0311003,12.06,C12=C(c3c(cccc3)OC1=O)Oc(cccc4)c4C2C5=C(O)c6c(cccc6)OC5=O,0.0
12332,CO-ADD:0310748,12.06,C(C(OCCOCCC)=O)(C1c2ccc(cc2)O)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
12333,CO-ADD:0321452,12.06,C1(C)(C(OCC)=O)\C(=N/Nc2ccccc2)\C(\C(=O)N1c3ccccc3)=N\c4ccccc4,0.0
12334,CO-ADD:0321422,12.06,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/NCCSc(cc3)ccc3Cl,0.0
12335,CO-ADD:0320849,12.06,C1(C2)([N+](=O)[O-])C(CC(C)=O)C(c3c(cccc3)C1=O)(CN2CCO)[N+](=O)[O-],0.0
12336,CO-ADD:0320889,12.06,n12c(NC(c3ccc(cc3)F)CC1C(F)(F)F)cc(C(O)=O)n2,0.0
12337,CO-ADD:0321394,12.06,C1(C2c3ccccn3)=C(CCCC1=O)Nc(ccc4c5ccc(n4)C)c25,0.0
12338,CO-ADD:0323013,12.06,n1(c2ccc(cc2)OCC(=O)Nc3cccc(Cl)c3Cl)cnnn1,0.0
12339,CO-ADD:0324705,12.06,C(C(c1ccccc1)=O)(C2c(cc3)ccc3C(OC)=O)=C(O)C(N2c4ccc(cc4)OCC(O)=O)=O,0.0
12340,CO-ADD:0324634,12.06,C1(CC(OC12CCCCC2)=O)C(=O)N([H])c3ccccc3OC,0.0
12341,CO-ADD:0324650,12.06,C(CN1CCCCC1)#Cc(cc2)ccc2C#CCN3CCCCC3,0.0
12342,CO-ADD:0324658,12.06,c(C(OCC)=O)(c1C)[nH]c(c1CNc2cccc(OC)c2)C,0.0
12343,CO-ADD:0319246,12.06,n1(C)c(c2ccccc2)nnc1SC(C=NN(C3=O)c4ccccc4)=C3Br,0.0
12344,CO-ADD:0330777,12.06,C1(S2)(N(c3ccccc3)C(=C2C(OCC)=O)C)N(c4ccc(cc4)C)N=C(C(OCC)=O)S1,0.0
12345,CO-ADD:0332312,12.06,C(Nc1ccccc1O)(OC(C)=CC2=O)=C2C(C)=O,0.0
12346,CO-ADD:0330916,12.06,c1(C(=O)Nc2ccc(cc2Cl)Cl)sc3c(c(COC)cc(C)n3)c1N,0.0
12347,CO-ADD:0330836,12.05,c(c(C)nc(c1C(NCCC(C)C)=O)Cl)(c1C)[N+](=O)[O-],0.0
12348,CO-ADD:0328549,12.05,c([N+](=O)[O-])(c(C)nn1CC(NCCc(c2c([nH]3)ccc(OC)c2)c3C)=O)c1C,0.0
12349,CO-ADD:0329029,12.05,n1c(c2ccccc2)csc1\C(\CNC(=O)c3ccccc3Cl)=C/c4ccccc4Cl,0.0
12350,CO-ADD:0327557,12.05,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)N(CC2)CCO2,0.0
12351,CO-ADD:0327581,12.05,c(C(=O)NC(N1)c2ccc(cc2)F)(sc3c4c(COC)cc(C)n3)c14,0.0
12352,CO-ADD:0328776,12.05,c1(NNC(=O)Nc2cccc(Cl)c2)nc(C)cc(C)c1C#N,0.0
12353,CO-ADD:0329881,12.05,C(C#N)(=C(C)C(C(OCC)=O)=NN1c(cccc2C(F)(F)F)c2)C1=O,0.0
12354,CO-ADD:0326311,12.05,N1(C(=O)CSc2nc(C)cc(C)n2)c3c(cccc3)Sc(ccc(Cl)c4)c14,0.0
12355,CO-ADD:0329681,12.05,S(=O)(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)C)c3c(C)cc(cc3C)C,0.0
12356,CO-ADD:0330065,12.05,c1(cc(OC)ccc1OC)C(=O)c(cc2)ccc2C(=O)Nc(c(OCC)c3)cc(c3NC(c4ccccc4)=O)OCC,0.0
12357,CO-ADD:0330024,12.05,C1(C(F)(F)F)(NC(=O)c2cccc(Cl)c2)C(=O)N(C(=O)N1)C,0.0
12358,CO-ADD:0327971,12.05,c(C(=O)NC(N1)c2ccccc2O)(sc3c4c(COC)cc(C)n3)c14,0.0
12359,CO-ADD:0331333,12.05,N1(c2c(cccc2)C(CC1(C)C)(C)c3ccccc3)C(=O)Nc(cc4)ccc4F,0.0
12360,CO-ADD:0331043,12.05,N12C(c3c(cccc3)CC14CCCC4)=C(C(=O)C2=O)C(c5ccccc5)=O,0.0
12361,CO-ADD:0330938,12.05,c1(C#N)c(COC)cc(nc1SCC[N+](C)(C)CC(=O)Nc(cccc2C(F)(F)F)c2)C.[Cl-],0.0
12362,CO-ADD:0329131,12.05,C(Cc1ccccc1)(=O)Nc(cc2)ccc2CC#N,0.0
12363,CO-ADD:0329171,12.05,n1(c(S)nnc1c2[nH]nc(C3CC3)c2)c4c(Cl)ccc(c4)C(F)(F)F,0.0
12364,CO-ADD:0328347,12.05,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3ncc1C(NCCc(c4c([nH]5)ccc(OC)c4)c5C)=O,0.0
12365,CO-ADD:0328580,12.04,C1(C(=O)NC(N2CCc(ccc(c3OCC)OCC)c3)=O)=C2NC(=O)C1(NC(C)=O)C(F)(F)F,0.0
12366,CO-ADD:0328332,12.04,N(c1ccccc1OC)(C(=O)C(C23)C(c4cccc(OCC)c4O)NC2(C)C(O)=O)C3=O,0.0
12367,CO-ADD:0328644,12.04,C1(NS(=O)(=O)c2cccc(c2n3)ns3)=C(C)N(N(c4ccccc4)C1=O)C,0.0
12368,CO-ADD:0329200,12.04,S(c1ccccc1)(=O)(=O)NC(c2cccs2)C(Cl)(Cl)Cl,0.0
12369,CO-ADD:0328842,12.04,[C@@H]1(C[C@@H](C2(C)C)[C@@H]2C[C@H]1C)[S@@](=O)N[C@H](c3ccc([N+](=O)[O-])cc3)C(C(OCC)=O)(F)F,0.0
12370,CO-ADD:0326658,12.04,c1(OC(=O)C(=C2C)CCC)c2c(n[nH]1)C,0.0
12371,CO-ADD:0328455,12.04,c1(N(CC)CC)nc(C#N)nc(OC)n1,0.0
12372,CO-ADD:0332199,12.04,S(c1ccccc1)(=O)(=O)Nc(c(cccc2)c23)cc4c3oc(CCC(C)C5)c45,0.0
12373,CO-ADD:0331823,12.04,n1(c2ccc(cc2)Cl)nnnc1SCC(=O)N\N=C/c3cccc(F)c3,0.0
12374,CO-ADD:0331776,12.04,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(c(OCC)c5)O,0.0
12375,CO-ADD:0331427,12.04,C1(SC2c3ccc(cc3)OC)=C(SC(=O)N1)C(C24)c5c(OC4=O)cccc5,0.0
12376,CO-ADD:0331467,12.04,n12c(nc(cc1C(F)(F)F)c3ccco3)cc(C(=O)OCC4CCCN5C4CCCC5)n2,0.0
12377,CO-ADD:0331369,12.04,C(=O)(NC(c1ccc(cc1)OC)CC(O)=O)c(cc2OC)cc(c2OC)OC,0.0
12378,CO-ADD:0328022,12.04,c1(Oc2cccc(N)c2)nc(C)cc(C)c1C#N,0.0
12379,CO-ADD:0328038,12.04,c1(cc(ccc1N(CC2)CCN2C(c3ccccc3)c4ccccc4)[N+](=O)[O-])C5=NCCc(cccc6)c56,0.0
12380,CO-ADD:0327991,12.04,C1(\C(\C)=N\c2ccccc2)=C(O)C=C(c3ccco3)CC1c4ccco4,0.0
12381,CO-ADD:0329855,12.03,S(=O)(=O)(N(CCC)CCC)c(cc1)ccc1C(=O)OCC(c2ccccc2)=O,0.0
12382,CO-ADD:0329680,12.03,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
12383,CO-ADD:0327189,12.03,S(C)(=O)(=O)N(Cc1ccco1)Cc2onc(c3ccc(cc3)C)n2,0.0
12384,CO-ADD:0329299,12.03,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)O)c3)\C2=N,0.0
12385,CO-ADD:0327273,12.03,N1C(CC)(c2ccccc2)NN(c3ccc(cc3)Br)C1=S,0.0
12386,CO-ADD:0327346,12.03,C(C(F)(F)F)(C(F)(F)F)(N1)NC(n2c1c(c3ccccc3)c(n2)C)=O,0.0
12387,CO-ADD:0328794,12.03,c1(cc(ccc1N(CC2)CCO2)\C=N\NC(COc3cccc(C)c3)=O)[N+](=O)[O-],0.0
12388,CO-ADD:0328081,12.03,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCCc3ccccn3,0.0
12389,CO-ADD:0328106,12.03,C1(C(=O)NCc(ccc2C(OCC)=O)o2)=Cc3c(OC1=O)ccc(OC)c3,0.0
12390,CO-ADD:0328138,12.03,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3ccc(cc3)Oc(cc4)ccc4[N+](=O)[O-],0.0
12391,CO-ADD:0329187,12.03,c1(C2c3ccc(cc3)F)c([nH]nc1c4cc(sc4C)C)OC(N)=C2C#N,0.0
12392,CO-ADD:0329374,12.03,N1(c(cc2)c(C)cc2[N+](=O)[O-])C(=O)c3c(cccn3)C1=O,0.0
12393,CO-ADD:0329335,12.03,C(=C\c(cc1OC)cc(c1O)I)(/C(=O)O2)\C(=O)OC2(C)c3ccccc3,0.0
12394,CO-ADD:0327503,12.03,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(c3ccccc3)c1CSc4[nH]c(c5n4)cccc5,0.0
12395,CO-ADD:0332633,12.03,C(C(OCC)=O)(C1c2ccc(cc2)OC(C)=O)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
12396,CO-ADD:0331930,12.03,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N3CCCCC3CC,0.0
12397,CO-ADD:0332444,12.03,c1(ccc(cc1Cl)Cl)C(=O)c2ccc(cc2)OCC,0.0
12398,CO-ADD:0332620,12.03,C(C(OCCOC)=O)(C1c(cc2)ccc2C(F)(F)F)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
12399,CO-ADD:0331433,12.03,C1(=C(C)N(N(c2ccccc2)C1=O)C)N3C(=O)CC(CS4(=O)=O)C3C4,0.0
12400,CO-ADD:0330044,12.02,C1(C(=O)CC(N2c3ccc(cc3)OC)c4ccccc4)=C2CC(C)(C)CC1=O,0.0
12401,CO-ADD:0329677,12.02,S(=O)(=O)(c1ccc(c(OC)c1)Cl)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
12402,CO-ADD:0328864,12.02,C(C(c1ccc(cc1)C)NCc2ccccc2Cl)C(OCC)=O.Cl,0.0
12403,CO-ADD:0328888,12.02,C(=O)(C(C)Oc1ccc(cc1Cl)Cl)Nc(cc2)ccc2CC#N,0.0
12404,CO-ADD:0328393,12.02,C1(=S)N(Nc2c(Cl)cc(cn2)Cl)C(C(=O)N1c3ccc(cc3)OC)CC(=O)Nc(cc4)ccc4F,0.0
12405,CO-ADD:0328997,12.02,C12(SC(=NN1c3ccccc3)c4ccccc4)N(C)C(=NN2C(C)=O)c5ccc(cc5)OC,0.0
12406,CO-ADD:0328141,12.02,c1(NC(=O)c(cccc2S(=O)(=O)Nc(cc3)ccc3Br)c2)sc(c4c1C#N)CC(CC4)C,0.0
12407,CO-ADD:0327936,12.02,c12n(nc(SCC#N)n1)c(c(C)c(C)n2)C,0.0
12408,CO-ADD:0327551,12.02,c(nn(c12)c(C)c(c(C)n1)C)(n2)S(=O)(=O)N(CC(C)C)CC(C)C,0.0
12409,CO-ADD:0329165,12.02,C(C(O)=O)(=CN1CC)C(=O)c(c12)cnc(N(CC3)CCN3C(=S)Nc4c(OC)ccc(OC)c4)n2,0.0
12410,CO-ADD:0328222,12.02,c1(c(C)c(cc(C(C)C)c1O)NS(=O)(=O)c2ccc(cc2)OC)S(c3ccccc3)(=O)=O,0.0
12411,CO-ADD:0327919,12.02,c1(N(CC2)CCO2)nc(OC)nc(Oc(nc(OC)nc3N(CC4)CCO4)n3)n1,0.0
12412,CO-ADD:0330953,12.01,c1(C(O)=O)sc2c(c(C)cc(C)n2)c1n3cccc3,0.0
12413,CO-ADD:0328129,12.01,S(=O)(=O)(c(cc1)ccc1C(NCCc(c2c([nH]3)cccc2)c3)=O)N4CCCCC4,0.0
12414,CO-ADD:0328946,12.01,C12=C(OC(C)CC1=O)c3c(ccc4c3cccn4)NC2c5ccc(cc5Cl)Cl,0.0
12415,CO-ADD:0326308,12.01,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3I,0.0
12416,CO-ADD:0327143,12.01,n12c(SCC(c3ccc(cc3)F)=N1)nnc2COc(cc4)ccc4Cl,0.0
12417,CO-ADD:0327505,12.01,c1(N(C)C2=O)c(n(c(SCC(=O)Nc(c(C(N)=O)nn3c4ccccc4)n3)n1)C)C(N2Cc5ccc(cc5Cl)Cl)=O,0.0
12418,CO-ADD:0331768,12.01,C(C(OC)=O)(C1c2ccc(cc2)Cl)=CN(C=C1C(OC)=O)C(c3ccccc3)C(OC)=O,0.0
12419,CO-ADD:0332001,12.01,C(/NC(=O)c1ccc(c(C)c1)C)(=C/c2ccco2)\C(=O)N3CCc(c4C3)cccc4,0.0
12420,CO-ADD:0332009,12.01,n1(nnc(C(OCC)=O)c1CNc(cc2)ccc2C(N)=O)c3nonc3N,0.0
12421,CO-ADD:0331986,12.01,C(=O)(N1CCC(CC1)C(OCC)=O)c2ccccc2NC(=O)c3ccc(cc3)Br,0.0
12422,CO-ADD:0327825,12.01,c1cc(OC(C)=O)cc(O)c1[C@H]([C@](C)(C(C)(C)[C@@H]23)CC2)C3,0.0
12423,CO-ADD:0328025,12.01,n1c2c([nH]c1SCC(=O)N(c3ccc(cc3)OC)C4(CCCCC4)C(=O)Nc(cc5)ccc5OC)cccn2.Cl,0.0
12424,CO-ADD:0327441,12.01,c12c(cc(OCO3)c3c1)NC(=O)CC2c4ccccc4Cl,0.0
12425,CO-ADD:0326110,12.01,c1(sc(c2c1C(OC)=O)CCCC2)N3C(=O)CSC3=N,0.0
12426,CO-ADD:0329409,12.01,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)NCc(ccc(c34)OCO3)c4,0.0
12427,CO-ADD:0329313,12.01,C1(Nc(nc2C)nc3c2cc(cc3C)C)=NC(c4ccccc4)CC(=O)N1,0.0
12428,CO-ADD:0329633,12.01,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4)ccc4OCC(NCCc5ccccc5)=O)\C1=O,0.0
12429,CO-ADD:0330009,12.01,c1(C(NCC=C)=O)scc(OCCO2)c12,0.0
12430,CO-ADD:0330041,12.01,C1(=Cc(c2)c(OC1=O)ccc2[N+](=O)[O-])C(=O)NC(c3ccc(cc3)C)CC(OCC)=O,0.0
12431,CO-ADD:0329618,12.01,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3c(C)ccc(c3)[N+](=O)[O-],0.0
12432,CO-ADD:0326824,12.01,c1(c2SC)c(ccc2C(=O)Nc3ccccc3Cl)C(=O)c(c4C1=O)cccc4,0.0
12433,CO-ADD:0332329,12.01,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)cc(c5OC(CCC)=O)OC,0.0
12434,CO-ADD:0332561,12.01,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCN4c5ccc(cc5[N+](=O)[O-])C(F)(F)F,0.0
12435,CO-ADD:0332585,12.01,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccccc2)N(CC3)CCN3C(=O)c(cc4)ccc4C(C)(C)C,0.0
12436,CO-ADD:0332340,12.01,c1(nc2c(c3C(F)(F)F)CCc(cccc4)c24)n3nc(C(=O)NCC(CC5CC6CC7C5)(C6)C7)c1Cl,0.0
12437,CO-ADD:0331572,12.0,N1(CCNC1=O)C(=O)C(c2ccccc2)c3ccccc3,0.0
12438,CO-ADD:0332421,12.0,C(C(F)(F)F)(C(F)(F)F)(N=C1c2ccc(cc2)C)N=C3N1C=C(C=C3Cl)Cl,0.0
12439,CO-ADD:0332022,12.0,C(CC1)(CCN1C(=O)c2ccc(cc2)F)(C(N)=O)N3CCCCC3,0.0
12440,CO-ADD:0332127,12.0,C(=O)(OC(c1ccccc1)CCN2CCCCC2)C3(CCCC3)c4ccccc4.Cl,0.0
12441,CO-ADD:0332080,12.0,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3c(OC)ccc(Cl)c3,0.0
12442,CO-ADD:0332104,12.0,S(=O)(=O)(Oc(cc1C)c2c(n1)cccc2)c3c(OC)ccc(OC)c3,0.0
12443,CO-ADD:0331696,12.0,S(c1ccccc1)(=O)(=O)N(CC2)CCN2C(=O)c(cccc3[N+](=O)[O-])c3,0.0
12444,CO-ADD:0329034,12.0,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(cc3OC)cc(c3OC(C)=O)Cl,0.0
12445,CO-ADD:0326591,12.0,n1(c2ccccc2C)c(CNc(cc3)ccc3C)nnc1SCC(=O)Nc(cc4)ccc4OC,0.0
12446,CO-ADD:0327882,12.0,c1(ccc(cc1[N+](=O)[O-])C(=O)NC2CCCCC2)C(=O)NC3CCCCC3,0.0
12447,CO-ADD:0326742,12.0,C(NN(CC1)CCO1)(OC(C)=CC2=O)=C2C(C)=O,0.0
12448,CO-ADD:0326271,12.0,c1(cc(ccc1N(CC2)CCN2C3CC(NC3=O)=O)C(F)(F)F)[N+](=O)[O-],0.0
12449,CO-ADD:0326832,11.99,c1(oc(nn1)COc2cccc(C)c2)c3ccc(cc3Cl)Cl,0.0
12450,CO-ADD:0326688,11.99,C1(C(CCC(C)C)C(N)=O)=NC(Cc(cc(OC)c(OC)c2)c12)(C)C,0.0
12451,CO-ADD:0329287,11.99,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c3cc(Br)ccc3OC)\C1=N,0.0
12452,CO-ADD:0329704,11.99,N1(Cc2ccccn2)C(=O)c3c(c(cccc4)c4C1=O)cccc3,0.0
12453,CO-ADD:0329337,11.99,C(=C\c(ccc1Sc(cc2)ccc2Cl)o1)(/C3=O)\C(=O)OC(c4ccccc4)O3,0.0
12454,CO-ADD:0332593,11.99,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCN4Cc5ccccc5,0.0
12455,CO-ADD:0332154,11.99,N1c2c(cccc2)SC(CC(=O)Nc3ccc(cc3F)F)C1=O,0.0
12456,CO-ADD:0332194,11.99,N1(C(c2ccccc2)CC(c3cccs3)=N1)C(=O)c(cc4OC)cc(c4OC)OC,0.0
12457,CO-ADD:0332322,11.99,n1(N)c(CC)nnc1N\N=C\c(ccc2c3ccc(cc3)OC(F)(F)F)o2.Cl,0.0
12458,CO-ADD:0332586,11.99,[N+](=O)([O-])c1ccc(cc1NC(C)C23CC(CC4C2)CC(C4)C3)N(CC5)CCN5C(=O)c(cc6)ccc6C(C)(C)C,0.0
12459,CO-ADD:0332610,11.99,c(cc(cc1C(=O)NCC(O)=O)C(=O)NCC(O)=O)(c1)C(=O)NCC(O)=O,0.0
12460,CO-ADD:0332307,11.99,C(Nc1cccc(C)c1)(OC(C)=CC2=O)=C2C(C)=O,0.0
12461,CO-ADD:0332169,11.99,C(C(C)(CC)NC(CCc1ccccc1)=O)#C,0.0
12462,CO-ADD:0331498,11.99,n1c(c2ccc(cc2)Oc(cc3)ccc3OC(=O)c4ccco4)noc1c5ccco5,0.0
12463,CO-ADD:0332030,11.99,N1(c(ccc(c2)OCC)c2S3)C3=NC(=O)N(c4ccccc4)C1=O,0.0
12464,CO-ADD:0332463,11.99,C(C(C)=O)(C1c2ccccc2)=C(O)C(N1CCCCCC(O)=O)=O,0.0
12465,CO-ADD:0332130,11.99,S(=O)(=O)(c1ccc(cc1)F)N(CC2)CCN2C34CC(CC5C3)CC(C5)C4,0.0
12466,CO-ADD:0332107,11.99,C1(=Cc(cccc2OC)c2OC1=O)C(=O)N(CC3)CCN3C45CC6CC(CC(C6)C4)C5,0.0
12467,CO-ADD:0331004,11.99,C1(OC(C)=O)(C(F)(F)F)Oc(ccc(c2)Cl)c2NC1=O,0.0
12468,CO-ADD:0332084,11.99,S(=O)(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2Oc3c(Cl)cc(cn3)Cl,0.0
12469,CO-ADD:0331580,11.98,C(C(=O)N(CC1)CCO1)(C2=O)=C(c3c(cccc3)CC4(CC)CC)N4C2=O,0.0
12470,CO-ADD:0331263,11.98,c1(N(c2ccccc2)c3ccccc3)nc(n4cccc4)nc(N(CC5)CCO5)n1,0.0
12471,CO-ADD:0331488,11.98,C1(C(F)(F)F)(C(F)(F)F)N=C(Cc2ccccc2)NC3=C1C(=O)NC(N3c4ccc(cc4)OC)=O,0.0
12472,CO-ADD:0326631,11.98,c1(N(c2ccc(cc2)OC)C3=O)n(c(nn1)SCC(OC)=O)c(c34)sc(c45)COC(C(C)C)C5,0.0
12473,CO-ADD:0326679,11.98,C(C#N)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(c(Cl)c4)Cl,0.0
12474,CO-ADD:0326464,11.98,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4OC)cc(c4O)Cl)cc(c(C)c3)C,0.0
12475,CO-ADD:0330062,11.98,c1(C(=O)NC(CC2(C)C)CC(N2)(C)C)scc(OCCO3)c13,0.0
12476,CO-ADD:0329913,11.98,N1(c2ccccc2C(F)(F)F)C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
12477,CO-ADD:0327689,11.97,c1(c(c2)scn2)nc(c3n1CC(=O)Nc4ccccc4OCCCC)cccc3,0.0
12478,CO-ADD:0328706,11.97,c1(cc(Cl)ccc1OC)C(=O)Nc(cc2)ccc2CC#N,0.0
12479,CO-ADD:0328499,11.97,c1(C(O)=O)c(C)oc(C)c1CN.Cl,0.0
12480,CO-ADD:0328460,11.97,C(C(c1ccccc1)=O)(C2c(cccn3)c3)=C(O)C(N2CC(C)O)=O,0.0
12481,CO-ADD:0328476,11.97,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2c(Cl)ccc(Cl)c2,0.0
12482,CO-ADD:0332269,11.97,N1(OC(=O)c2ccccc2F)C(=O)c3c(cccc3)C1=O,0.0
12483,CO-ADD:0332100,11.97,S(=O)(=O)(N1CCC(CC1)C(N)=O)c2cc(C)ccc2OC,0.0
12484,CO-ADD:0332132,11.97,S(NCCOC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4ccc(c(C)c4)C,0.0
12485,CO-ADD:0330716,11.97,c12c(cc(OCO3)c3c1)NC(=O)CC2c4ccccc4OC(C)C,0.0
12486,CO-ADD:0330724,11.97,c1(cc(OCO2)c2c3)c3C(CC(=O)N1)c4cccc(F)c4,0.0
12487,CO-ADD:0332441,11.97,c1(cc(ccc1N(CC2)CCO2)C(=O)c3ccc(cc3C)C)[N+](=O)[O-],0.0
12488,CO-ADD:0330798,11.97,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)OC\C(\N)=N/O,0.0
12489,CO-ADD:0329815,11.97,c(c(CCCC1)c(c2C(=S)Nc(cc3)ccc3Br)c4ccc(cc4)OC)(n15)n2cc5c6ccccc6,0.0
12490,CO-ADD:0330031,11.97,c1(nonc1NC(C)=O)n2c(C)ccc2C,0.0
12491,CO-ADD:0328890,11.97,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)Nc(cc2)ccc2CC)Cl)c1,0.0
12492,CO-ADD:0327867,11.97,c1(cc(F)c(cc1Cl)F)C(=O)Nc2c(CCC)cc(c3c2)OCO3,0.0
12493,CO-ADD:0327923,11.97,c1(N(CC2)CCO2)nc(OC)nc(C(N)=O)n1,0.0
12494,CO-ADD:0329190,11.97,n1c(c2ccc(cc2)Cl)onc1c3ccc(Br)o3,0.0
12495,CO-ADD:0328191,11.97,c1(c(O)c(C)c(c(NC(c2ccccc2)=O)c1)C)S(=O)(=O)c3ccc(cc3)Cl,0.0
12496,CO-ADD:0328600,11.97,C1(SC)=NC(Cc(cc(OC)c(O)c2)c12)(C)C,0.0
12497,CO-ADD:0330877,11.97,c1([N+](=O)[O-])c(C(=O)Nc2c(OC)ccc(Cl)c2)n(nc1C(=O)Nc3c(OC)ccc(Cl)c3)C,0.0
12498,CO-ADD:0332221,11.97,C1(C(OCCOCC)=O)=C(C)NC(NC1c2ccccc2Br)=O,0.0
12499,CO-ADD:0331289,11.97,[N+](=O)([O-])\C=C/c(cc1)ccn1,0.0
12500,CO-ADD:0331132,11.97,C(C(O)=O)C(c1ccc(c(OC)c1)OCC)NC(COc2ccccc2)=O,0.0
12501,CO-ADD:0330784,11.97,C1(NC(C)=O)=C(NCCc(c2c([nH]3)cccc2)c3)C(c(cccc4)c4C1=O)=O,0.0
12502,CO-ADD:0331121,11.97,n1(c2ccc(cc2)Cl)c(CCC(O)=O)ccc1c3ccccc3,0.0
12503,CO-ADD:0331537,11.97,c1(scc(OCCO2)c12)C(=O)N3C(C)CCCC3C,0.0
12504,CO-ADD:0327939,11.96,S(=O)(=O)(n(ccn1)c1)c2nc(C)c(c(C)c2C#N)Cl,0.0
12505,CO-ADD:0326179,11.96,C1(C(OC)=O)(C(F)(F)F)N=C(c2ccc(cc2)Cl)N(C3=N1)C=CC=C3C,0.0
12506,CO-ADD:0326419,11.96,C1(c2ccc(cc2)C)(OC(C3(C)C)=O)C3OC(=O)C1(C)C,0.0
12507,CO-ADD:0325966,11.96,C(NCCOC(C1)(CC2CC1CC3C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4cccs4,0.0
12508,CO-ADD:0327323,11.96,c1(SC(N2C)=S)c2ncnc1N(CC3)CCN3C,0.0
12509,CO-ADD:0329715,11.96,c([N+](=O)[O-])(c(C)nn1CC(=O)N(C)c2ccc(cc2)OC(F)(F)F)c1C,0.0
12510,CO-ADD:0327281,11.96,c1(SC(N2C)=S)c2ncnc1N3CCCCCC3,0.0
12511,CO-ADD:0328949,11.96,S(=O)(=O)(NC(C(OCC)=O)c1ccccc1Cl)c2cccc(nsn3)c23,0.0
12512,CO-ADD:0328413,11.96,c12c(C(c(ccc(c34)OCO3)c4)SCC(=O)N1)c(nn2c5ccccc5)c6ccccc6,0.0
12513,CO-ADD:0332396,11.96,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1F)\N=C(/N)\c2ccc(cc2)C,0.0
12514,CO-ADD:0331738,11.96,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(O)c4,0.0
12515,CO-ADD:0331059,11.96,Cc1cccc(C)c1N(N=NN2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
12516,CO-ADD:0331268,11.96,c1(N(c2ccccc2)c3ccccc3)nc(Cl)nc(N)n1,0.0
12517,CO-ADD:0331660,11.95,n1(C(C(C)C2)CC(N2C)C)nc(cc1N)O,0.0
12518,CO-ADD:0331485,11.95,C1(C(F)(F)F)(NC(=O)c2ccccc2F)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
12519,CO-ADD:0330803,11.95,n1(c(CO)c(nn1)CO)c2nc(N(CC3)CCO3)nc(N(CC4)CCO4)n2,0.0
12520,CO-ADD:0328423,11.95,c12c(ccc(c1)N([H])C(CC)=O)C(C)=CC(=O)N2[H],0.0
12521,CO-ADD:0327610,11.95,S1(=O)(=O)c2c(c3N1Cc(ccc(c4OCC)OCC)c4)c(ccc2)ccc3,0.0
12522,CO-ADD:0329315,11.95,S(c1ccccc1)(=O)(=O)N(C(C)C2)c3c(C2N(c4ccccc4)S(c5ccccc5)(=O)=O)cccc3,0.0
12523,CO-ADD:0328303,11.95,C(C(c1ccccc1)=O)(C2c3ccc(cc3OC)OC)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
12524,CO-ADD:0329329,11.95,c1(c2cc(OC)c(OC)c1)C(=O)OC(c3ccc(cc3)I)=N2,0.0
12525,CO-ADD:0329354,11.95,N1(c2ccccc2C)C(=S)NN=C1c3ccc(cc3)Br,0.0
12526,CO-ADD:0329386,11.95,c1(N2CCCCC2c3ccccn3)nc(N\N=C\c(cccn4)c4)nc(OCC(F)(F)F)n1,0.0
12527,CO-ADD:0329402,11.95,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N2\C(\SCC2)=N\S(=O)(=O)c3ccc(cc3)NC(C)=O,0.0
12528,CO-ADD:0332589,11.95,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCN2C(=O)c(cc3)ccc3C(C)(C)C,0.0
12529,CO-ADD:0332280,11.95,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
12530,CO-ADD:0331290,11.95,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccccc4)C,0.0
12531,CO-ADD:0331306,11.95,c1(C(=O)NCc2ccco2)scc(OCCO3)c13,0.0
12532,CO-ADD:0331402,11.95,C1(C(F)(F)F)(NC(=O)c2ccccc2F)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)C)=O,0.0
12533,CO-ADD:0330850,11.95,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)OCC(=O)[O-].[Na+],0.0
12534,CO-ADD:0331307,11.95,n12c(c(c(c3ccc(cc3)Cl)c1C(=O)Nc4cccc(Cl)c4)CCCC5)n5c(CNc(cc6)ccc6F)n2,0.0
12535,CO-ADD:0329739,11.95,C1(C(F)(F)F)(NC(=O)c2ccccc2F)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
12536,CO-ADD:0327299,11.95,N(c1cccc(cccc2)c12)(C(=O)C(C34)C(c5cc(Br)ccc5O)NC3(C)C(O)=O)C4=O,0.0
12537,CO-ADD:0327203,11.95,c1(nnnn1c2ccccc2)C3(CCCCC3)N(C)C(COC)=O,0.0
12538,CO-ADD:0327563,11.94,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)Nc2ccccc2CC,0.0
12539,CO-ADD:0327260,11.94,C(C(C)=O)(C1c(cc2)ccc2C(OC)=O)=C(O)C(N1c3ccc(cc3)OCC(O)=O)=O,0.0
12540,CO-ADD:0328709,11.94,N(c1ccccc1)(CC2)CCN2CCC(=O)Nc(cc3)ccc3OC(Cl)(F)F,0.0
12541,CO-ADD:0327962,11.94,C(O)(C(F)(F)F)(C(F)(F)F)c1cc(Cl)cc(Cl)c1O,0.0
12542,CO-ADD:0329292,11.94,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(cc3)ccc3OCCOCCOc(cc4)ccc4C)\C1=N,0.0
12543,CO-ADD:0326312,11.94,c1(Sc2ncnc(cccc3)c23)n(CC)c4c(cccc4)n1,0.0
12544,CO-ADD:0326137,11.94,[n+](cnn1Cc(nnc2Cn(nc[n+]3[N-][N+](=O)[O-])c3)n2N)(c1)[N-][N+](=O)[O-],0.0
12545,CO-ADD:0326169,11.94,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2OC)OC(N(C)C)=N1,0.0
12546,CO-ADD:0332254,11.94,c(c(c1ccc(cc1)OC)n(c23)nc(cc2c4ccccc4)C)(C5=O)c3N(C(=O)N5C)C,0.0
12547,CO-ADD:0331782,11.94,C(C(=O)OCC1CCCO1)(C2c(cc3)ccc3[N+](=O)[O-])=C(C)NC(CC(c4cccs4)CC5=O)=C25,0.0
12548,CO-ADD:0331115,11.94,C(=O)(C(NCCc(cc1)ccc1F)=O)Nc2ccccc2OC,0.0
12549,CO-ADD:0331477,11.94,c1(ccc(cc1Cl)Cl)C(=O)NC(c2ccc(cc2)OC)CC(O)=O,0.0
12550,CO-ADD:0331478,11.94,C1(=O)N(CCCCCCCCC)c2c(Oc(cc(cc3[N+](=O)[O-])Oc4ccccc4)c13)cccc2,0.0
12551,CO-ADD:0331052,11.94,c1(C(=O)N2CCCCC2)nn(c(cc(cc3S(=O)(=O)Cc4ccccc4)[N+](=O)[O-])c13)c5ccccc5,0.0
12552,CO-ADD:0331710,11.94,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2F)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
12553,CO-ADD:0330766,11.94,c12c(cc(OC)c(OC)c1)NC(CC2c3ccccc3C(F)(F)F)=O,0.0
12554,CO-ADD:0331331,11.93,N(c1c(S2)cccc1)(\C(=N\c3ccccc3)\N=C4N)C2=N4,0.0
12555,CO-ADD:0330811,11.93,c1(C(OCC)=O)sc2c(c(COC)cc(C)n2)c1n3cccc3,0.0
12556,CO-ADD:0327317,11.93,N(C(=O)\C(\S1)=C/c2ccc(C)o2)=C1N(CC3)CCN3CC,0.0
12557,CO-ADD:0328766,11.93,C(C(F)(F)F)(NC(OCc1ccccc1)=O)(P(OCC)(OCC)=O)c2c3c([nH]c2)cccc3,0.0
12558,CO-ADD:0328822,11.93,c(C(OC)=O)(s1)c(Cl)c(c1C(OC)=O)Cl,0.0
12559,CO-ADD:0329840,11.93,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(Cl)c4)c5ccc(cc5)F,0.0
12560,CO-ADD:0327324,11.93,N(Cc1ccccc1)(C(=O)C(C23)C(c4ccc(cc4O)OC)NC2(CC(C)C)C(O)=O)C3=O,0.0
12561,CO-ADD:0327236,11.93,C(F)(F)(F)Oc(cc1)ccc1NCCC(=O)c2cccs2,0.0
12562,CO-ADD:0327996,11.93,c(C#N)(c1OC)c(Br)sn1,0.0
12563,CO-ADD:0328708,11.93,S(=O)(=O)(Oc(cc1)ccc1Cl)NC(NCCc(c2c([nH]3)cccc2)c3C)=O,0.0
12564,CO-ADD:0327156,11.93,N1C(=O)\C(=C/c2ccc(cc2OC)OC)\N\C(=C\C(c3ccccc3)=O)\C1=O,0.0
12565,CO-ADD:0331227,11.93,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)N(CC3)CCN3c4ccc(cc4)F)n2)Cc(ccc(c5OCC)OCC)c5,0.0
12566,CO-ADD:0331275,11.93,c1(N(C(C)=O)N(C(C)=O)C(C)=O)nc(N(CC2)CCO2)nc(N(CC3)CCO3)n1,0.0
12567,CO-ADD:0331661,11.93,c1(s2)c(cc(COC(C)(C)C3)c3n1)c(c24)ncnc4OC,0.0
12568,CO-ADD:0330884,11.93,n(C(C)=O)(c1c2ccccc2)nc(c1C(OCC)=O)N,0.0
12569,CO-ADD:0331519,11.93,c1(ccccc1F)C(=O)NCC(CC2)(CCO2)c3ccccc3,0.0
12570,CO-ADD:0331657,11.93,C1(\N=C(\C=C(N2Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c4ccc(cc4)OC)/C2=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
12571,CO-ADD:0329864,11.93,N1(c2ccccc2)C(c3ccccc3)N(N(CC4(C)C)C1=S)C4,0.0
12572,CO-ADD:0330064,11.93,c1(cc(OC)ccc1OC)C(=O)c(cc2)ccc2C(=O)Nc(cccc3C(=O)Nc4cccc(Cl)c4)c3,0.0
12573,CO-ADD:0329609,11.93,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3ccc(cc3)OC,0.0
12574,CO-ADD:0329433,11.92,C1(C(NCCc(c2c([nH]3)ccc(C)c2)c3C)=O)=Cc(cccc4OC)c4OC1=O,0.0
12575,CO-ADD:0326703,11.92,c1(C(C)=O)c(C)n(c(C)c1C(C)=O)c2ccc(cc2)N,0.0
12576,CO-ADD:0326719,11.92,n1(N)c(C)nnc1SCC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
12577,CO-ADD:0329684,11.92,S(=O)(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)C)c3c(C)ccc(c3)[N+](=O)[O-],0.0
12578,CO-ADD:0329852,11.92,C(/N1)(\c2c(CC1(C)C)cc(OC)c(OC)c2)=C/[N+](=O)[O-],0.0
12579,CO-ADD:0326579,11.92,N1(Cc2ccccn2)C(N)=CC(NC1=O)=O,0.0
12580,CO-ADD:0328123,11.92,C(Cc(ccc(c1OCC)OCC)c1)(=O)Nc2ccccc2OC,0.0
12581,CO-ADD:0331102,11.92,c1(Cc2ccccc2)nc(c3n1Cc(cc4)ccc4F)cccc3,0.0
12582,CO-ADD:0331158,11.92,n1(Cc2ccccc2)c3c(nc1\C=C\c(cc4)ccc4Cl)cccc3,0.0
12583,CO-ADD:0331550,11.92,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3ncc1C(=O)N4CCCCC4c(cccn5)c5,0.0
12584,CO-ADD:0331630,11.92,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCN2C34CC(CC5C3)CC(C5)C4,0.0
12585,CO-ADD:0331254,11.92,c12c(ccc(C(=O)Oc(cc3)ccc3Oc4c(Cl)cc(cn4)Cl)c1[N+](=O)[O-])C(=O)c(c5C2=O)cccc5,0.0
12586,CO-ADD:0331262,11.92,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)NNC(NCC)=S,0.0
12587,CO-ADD:0331802,11.92,C(c1ccccc1)(=O)NCC(=O)OCC(=O)c2ccc(cc2)CC,0.0
12588,CO-ADD:0331343,11.92,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2OC)NC3=C1C(=O)N(C)C(N3C)=O,0.0
12589,CO-ADD:0331344,11.92,C1(C(=O)N(C)C(N2C)=O)=C2NC(=O)C1(NC(CC(C)C)=O)C(F)(F)F,0.0
12590,CO-ADD:0326767,11.92,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCC)c4ccc(cc4)Cl,0.0
12591,CO-ADD:0327620,11.92,N1(CC(=O)NCc2ccccn2)C(=O)c3c(C(c4ccccc4)=N1)cccc3,0.0
12592,CO-ADD:0327989,11.92,C1(C2c(cccn3)c3)=C(CC(c4ccc(cc4)F)CC1=O)Nc(c5N2C(C)=O)cccc5,0.0
12593,CO-ADD:0327813,11.91,C1[C@@](CSC[C@H](N)C(=O)O)(C(C)(C)[C@H]2C1)[C@@H](O)C2,0.0
12594,CO-ADD:0329336,11.91,C(=C\c(ccc1Br)o1)(/C(=O)O2)\C(=O)OC2(C)C(C)(C)C,0.0
12595,CO-ADD:0326777,11.91,c12c(C(N(C)C(=O)N1C)=O)n(c(N3CCC(CC3)C)n2)CC(=O)C45CC(CC6C4)CC(C6)C5,0.0
12596,CO-ADD:0328814,11.91,S1(CCC(C1)OC(=O)NC(=O)c2cccc(F)c2)(=O)=O,0.0
12597,CO-ADD:0328865,11.91,c1(NC(=O)C(OC)(F)C(F)(F)F)c(c2ccccc2)c(nn1c3ccccc3)C,0.0
12598,CO-ADD:0332603,11.91,N1(CC(=O)Nc(cccc2C(F)(F)F)c2)N=Cc(c3C1=O)cccc3,0.0
12599,CO-ADD:0332252,11.91,c(cn1c2cccn1)(C3=O)c2N(C(=O)N3C)C,0.0
12600,CO-ADD:0331335,11.91,c1(c(c2ccccc2)c(n3C4CCCCC4)c5ccccc5)c3ncn(nc(c6ccccc6Cl)n7)c17,0.0
12601,CO-ADD:0329964,11.91,C(C1CCCCC1)(=O)Nc(cc2)ccc2CC#N,0.0
12602,CO-ADD:0329357,11.91,C(=N/OCc(cc1)ccc1C(OC)=O)(/C(C)=Nc2c3cccc2)\C(C)=N3,0.0
12603,CO-ADD:0327844,11.91,C1(C(OCC)=O)=C(SCc2ccccc2)NC(=O)C(C#N)C13CCCCC3,0.0
12604,CO-ADD:0329269,11.91,C(/Nc(cc1)ccc1OC)(\Nc2nc(C)cc(C)n2)=N\C(Cc(ccc(c3OC)OC)c3)=O,0.0
12605,CO-ADD:0329350,11.91,N1(C2CCCCC2)C(=O)c(c3C1=O)ccc(c3)C(O4)=Nc(c5C4=O)ccc(Br)c5,0.0
12606,CO-ADD:0329430,11.91,C1(=Cc(cccc2CC=C)c2OC1=O)C(=O)N(CC3)CCN3c4cccc(Cl)c4,0.0
12607,CO-ADD:0326459,11.91,c1(NC(=O)C2CC(OC23CCCCC3)=O)sc(c4c1C#N)COC(C)(C)C4,0.0
12608,CO-ADD:0329405,11.91,N1(c2ccccc2OC)C(=S)NN=C1c(cc3)ccn3,0.0
12609,CO-ADD:0328173,11.91,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)c(C)cc(NC(=O)c3ccc(cc3)OC)c2C,0.0
12610,CO-ADD:0328214,11.91,S(c1ccccc1)(=O)(=O)c2c(O)c(C)cc(NS(=O)(=O)c3ccc(cc3)OC)c2C,0.0
12611,CO-ADD:0331320,11.91,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
12612,CO-ADD:0331456,11.91,[N+](=O)([O-])c1cccc(c1C)C(=O)NC(c2ccc(cc2)OC)CC(O)=O,0.0
12613,CO-ADD:0226110,11.91,S(=O)(=O)(N(Cc1c(cccc1Cl)F)c2cc(C)cc(C)c2)c3cccn(cnn4)c34,0.0
12614,CO-ADD:0218460,11.91,N(=C\c1ccccc1)/N(c2ccccc2)C(CC)=O,0.0
12615,CO-ADD:0217964,11.91,c1(C(OCC)=O)c(\N=C\c(ccc(c2OC)O)c2)scc1c3ccccc3,0.0
12616,CO-ADD:0218420,11.9,c1(cc(c(cc1[N+](=O)[O-])n2)nc(c2Nc(cccc3C(F)(F)F)c3)N4CCCCC4)[N+](=O)[O-],0.0
12617,CO-ADD:0217869,11.9,c1(NC(CCCCC)=O)sc(c2c1C(N)=O)CCCC2,0.0
12618,CO-ADD:0217885,11.9,N(=C\c1ccccc1)/NC(CCCNc2cccc(C)c2)=O,0.0
12619,CO-ADD:0225481,11.9,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc(ccc(c5F)C)c5)=O,0.0
12620,CO-ADD:0165888,11.9,C(=O)(Nc(cc1)ccc1Cl)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O,0.0
12621,CO-ADD:0165914,11.9,C(=O)(Nc(cc1)ccc1F)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
12622,CO-ADD:0166409,11.9,C(c1ccccc1)(=O)Nc(cccc2\C(\C)=N\NC(CSCc3ccccc3Cl)=O)c2,0.0
12623,CO-ADD:0166449,11.9,N1(CNc(cc2)ccc2C)C(=O)\C(\SC1=O)=C\c(cc3)ccc3C(OC)=O,0.0
12624,CO-ADD:0166434,11.9,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)NC(C)c2ccccc2,0.0
12625,CO-ADD:0222574,11.9,C12c3c(cccc3)C(CC1C(=O)Nc(cc4)ccc4F)c(cccc5)c25,0.0
12626,CO-ADD:0222179,11.9,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)c4ccccc4Cl,0.0
12627,CO-ADD:0222801,11.9,c1(ccccc1NC(COc(cc2)ccc2C)=O)C(N)=O,0.0
12628,CO-ADD:0222652,11.9,c1(ccc(cc1Cl)Cl)C(=O)N(CC2)CCN2c3ccccc3,0.0
12629,CO-ADD:0222521,11.9,c1(cc(C)cc(Br)c1O)\C=N\c(ccc(c2Cl)OC)c2,0.0
12630,CO-ADD:0222281,11.9,c1(ccccc1Br)C(=O)NCC(=O)N\N=C(/CCCC)\c2ccccc2,0.0
12631,CO-ADD:0221941,11.9,N1(Nc2ccc(cc2C)C)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
12632,CO-ADD:0220794,11.9,c1(c2ccc(cc2)Br)ccc(\C=N/NC(CNc3ccccc3C)=O)o1,0.0
12633,CO-ADD:0218908,11.9,C(C(=O)N\N=C\c(ccc(c1OC)OCCC)c1)C(=O)NCC(C)C,0.0
12634,CO-ADD:0221845,11.9,c1(C#N)c(cc(nc1SCC(=O)c2ccc(cc2)Br)C)c3ccc(C)o3,0.0
12635,CO-ADD:0219546,11.9,C(F)(F)(C(=O)NC1OCCOC1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F,0.0
12636,CO-ADD:0219688,11.89,C(=O)(N\N=C(\C)/CC(=O)NCc(cccn1)c1)C(=O)NCc2ccccc2,0.0
12637,CO-ADD:0227533,11.89,c(c(Br)c1Br)c(NCC(=O)N\N=C\c2ccc(cc2Cl)Cl)c(c1)Br,0.0
12638,CO-ADD:0227190,11.89,c1(NCC(=O)N\N=C(/CC)\CC)c(Br)cc(cc1Br)Br,0.0
12639,CO-ADD:0229697,11.89,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C(\C2)/CCCC2,0.0
12640,CO-ADD:0227160,11.89,C(OCCCCCCCCCC)(=O)c1ccc(cc1)NC(C)=O,0.0
12641,CO-ADD:0227989,11.89,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O)Br,0.0
12642,CO-ADD:0227238,11.89,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c(cc2)ccc2Br,0.0
12643,CO-ADD:0236171,11.89,n1c(N2CCCC2)nc(nc1N(CC3)CCO3)N\N=C\c(cc4)ccc4OC,0.0
12644,CO-ADD:0236217,11.89,C12(c3c(NC1=O)cccc3)C(C(OCC)=O)=C(C)OC(N)=C2C(=O)OC(C)C,0.0
12645,CO-ADD:0236238,11.89,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCCN3CCCCC3)c4ccccc4,0.0
12646,CO-ADD:0231666,11.89,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
12647,CO-ADD:0227841,11.89,c1(C#N)c2c(sc1\N=C\c(ccc3c(c(C)cc(c4[N+](=O)[O-])C)c4)o3)CCCC2,0.0
12648,CO-ADD:0236426,11.89,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)Nc(cc3)ccc3F,0.0
12649,CO-ADD:0236348,11.89,c1(csc(Nc2ccccc2C)n1)c3cc(c4o3)cccc4,0.0
12650,CO-ADD:0233120,11.89,c1(ccc(CCCC(OC)=O)s1)C(c2ccccc2)=O,0.0
12651,CO-ADD:0233453,11.89,c(cc(Br)cc1Cl)(\C=N\c(cc2)ccc2C)c1O,0.0
12652,CO-ADD:0233666,11.89,C1(Br)(C(C)(C)ON=C1c2ccccc2)[N+](=O)[O-],0.0
12653,CO-ADD:0231367,11.89,C(=O)(N\N=C\c1ccccc1OC(=O)\C=C\c2ccccc2)c3cccc(C)c3,0.0
12654,CO-ADD:0225398,11.89,c12n(ccn(c(nn3)CCC(=O)N(CC4)CCN4C(OCC)=O)c13)nc(c5ccc(cc5)F)c2,0.0
12655,CO-ADD:0226927,11.89,C1(=N2)N(c3c(cccc3)N=C1Sc4ccccc4)C(N2CC(=O)Nc(ccc(c5Cl)OC)c5)=O,0.0
12656,CO-ADD:0226177,11.89,S(=O)(=O)(N(c(cc1)ccc1C(C)C)Cc2ccccc2F)c3cccn(c(nn4)C)c34,0.0
12657,CO-ADD:0225778,11.88,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4c(C)cccc4C)=O,0.0
12658,CO-ADD:0226954,11.88,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cc4)ccc4C(C)=O)c(nn1)C(C)C,0.0
12659,CO-ADD:0221609,11.88,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)O)Nc2ccc(cc2F)F,0.0
12660,CO-ADD:0219287,11.88,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cc4)ccc4N(CC)CC,0.0
12661,CO-ADD:0221587,11.88,N(OC(N1c2cccc(cccc3)c23)=O)(C4C(C)(C)SC(=S)N4CC(C)C)C1=O,0.0
12662,CO-ADD:0221579,11.88,C1(=S)N(c2ccc(c(Cl)c2)F)C3(\C(=N\C(C(C)(C)C)\C=C\c4ccc(cc4Cl)Cl)\N1)CCCCC3,0.0
12663,CO-ADD:0226073,11.88,C1(=N2)N(C=CN=C1N(C)CCC)C(N2CC(=O)Nc(cccc3C(F)(F)F)c3)=O,0.0
12664,CO-ADD:0226089,11.88,S(=O)(=O)(N(Cc1cccc(F)c1)c2cccc(C)c2)c3cccn(c(nn4)CC)c34,0.0
12665,CO-ADD:0225577,11.88,N12C(C=CC(Sc3cccc(F)c3)=N1)=NN(CC(=O)Nc4cccc(Cl)c4)C2=O,0.0
12666,CO-ADD:0225609,11.88,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccccc4C#N)=O,0.0
12667,CO-ADD:0225556,11.88,N12C(C=CC(C(=O)Nc(cc3)ccc3OC)=C1)=NN(CC(=O)Nc(cc4)ccc4C(C)=O)C2=O,0.0
12668,CO-ADD:0225476,11.88,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc5ccc(cc5OC)OC)=O,0.0
12669,CO-ADD:0215610,11.88,N1(\N=C\c(ccc(c2[N+](=O)[O-])OC(c3ccccc3)=O)c2)C(=O)c(c4C1=O)cccc4,0.0
12670,CO-ADD:0215626,11.88,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N\N=C\c3ccccc3C(F)(F)F,0.0
12671,CO-ADD:0215467,11.88,n1c(c2ccc(cc2)Cl)csc1N\N=C\c(ccc(c3OC)OC)c3,0.0
12672,CO-ADD:0215419,11.88,C(\C(\CCC1)=C\c(cc2)ccc2F)(O3)=C1C(C(C#N)=C3N)c4ccc(cc4)F,0.0
12673,CO-ADD:0214910,11.88,N1(c2ccc(cc2C)C)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
12674,CO-ADD:0166490,11.88,C(=O)(N\N=C\c(cc1)ccc1OC)C(=O)Nc2ccccc2OCC,0.0
12675,CO-ADD:0166472,11.88,C(=O)(c1ccc(cc1)I)NC2C(C)CCC(C)C2,0.0
12676,CO-ADD:0166459,11.88,c(OC)(c(OC)c1)c(OC)cc1C(NCCc(cc2)ccc2Cl)=O,0.0
12677,CO-ADD:0166080,11.87,c1(c(Br)cc(cc1\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)Br)OC(=O)c3ccco3,0.0
12678,CO-ADD:0166102,11.87,c1(Br)c(O)c(\C=N\NC(CNC(=O)c2ccco2)=O)cc(Br)c1O,0.0
12679,CO-ADD:0166022,11.87,S(=O)(=O)(c1ccc(cc1)C)NC(C)C(=O)N\N=C\c2ccccc2[N+](=O)[O-],0.0
12680,CO-ADD:0220072,11.87,c1(NC(C)=O)sc(c(C)c1C(OCC)=O)C,0.0
12681,CO-ADD:0222280,11.87,c1(ccccc1Br)C(=O)NCC(=O)N\N=C(/CCC)\c2ccccc2,0.0
12682,CO-ADD:0222747,11.87,c1(c2c(Cl)ccc(c2)[N+](=O)[O-])[nH]c(c(c3ccccc3)n1)c4ccccc4,0.0
12683,CO-ADD:0222697,11.87,[N+](=O)([O-])c(cc1)ccc1c(cc2)ccc2NC(=O)c3ccc(cc3Cl)Cl,0.0
12684,CO-ADD:0222020,11.87,c1(c(OC)cc(c(\C=N\NC(COc(cc2)ccc2C)=O)c1)OC)[N+](=O)[O-],0.0
12685,CO-ADD:0220926,11.87,C(COc(cc1)ccc1OC)(=O)N\N=C\c2ccccc2OCC(O)=O,0.0
12686,CO-ADD:0219622,11.87,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(=O)C3COc(c4O3)cccc4,0.0
12687,CO-ADD:0219618,11.87,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc(cc(C)cc2C)c2,0.0
12688,CO-ADD:0219702,11.87,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
12689,CO-ADD:0219528,11.87,C(=O)(c1ccc(cc1)Br)N\N=C(/C)\C=C\c2ccccc2F,0.0
12690,CO-ADD:0220934,11.87,C(=N/NC(=O)c1ccccc1Cl)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
12691,CO-ADD:0220691,11.87,C(=N/Nc(nc(Nc(cc1)ccc1C)nc2N(CC3)CCO3)n2)(/c4c(N5)cccc4)\C5=O,0.0
12692,CO-ADD:0229745,11.87,c1(c(Br)cc(cc1\C=N/NC(COc2cccc(Cl)c2)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
12693,CO-ADD:0229682,11.87,c1(c2ccco2)c(C#N)c(oc1c3ccoc3)\N=C\c4c(O)ccc(cccc5)c45,0.0
12694,CO-ADD:0231212,11.87,c1(cc(ccc1C(O)=O)Oc(cc2)ccc2NC(=O)\C=C\C=C\C)C(O)=O,0.0
12695,CO-ADD:0227907,11.87,c1(SCC(OCC)=O)[nH]c(c2n1)cccc2,0.0
12696,CO-ADD:0227562,11.87,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2cccc(C)c2)=O)c3ccccc3Cl,0.0
12697,CO-ADD:0236688,11.87,S(N)(=O)(=O)c1ccc(cc1)NC(COc(ccc2c3OC(C=C2C)=O)c3)=O,0.0
12698,CO-ADD:0233278,11.87,S(=O)(=O)(c1ccc(cc1)OC(=O)c2cccc(cccc3)c23)c4ccc(cc4)OC(=O)c5cccc(cccc6)c56,0.0
12699,CO-ADD:0231086,11.87,C(CCC(=O)N\N=C\c1ccccc1)(=O)Nc2cccc(Br)c2,0.0
12700,CO-ADD:0236822,11.87,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
12701,CO-ADD:0233051,11.87,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)NCc(ccc(c34)OCO3)c4,0.0
12702,CO-ADD:0236185,11.87,N1(c(cc2)ccc2C(O)=O)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
12703,CO-ADD:0236245,11.87,c(C(=O)c1ccc(c(OC)c1)OC)(sc(c23)nc(cc2c4ccc(cc4)F)c5ccccc5)c3N,0.0
12704,CO-ADD:0232845,11.87,C(=N\c1ccccc1)(/SC(C2=O)CC(=O)Nc3ccc(cc3C)C)\N2,0.0
12705,CO-ADD:0236684,11.86,S(=O)(=O)(c1ccc(cc1)C)NCc(nnc2NC(=O)c3ccc(cc3)Br)s2,0.0
12706,CO-ADD:0234461,11.86,N(c1ccccc1OCC)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
12707,CO-ADD:0233530,11.86,c1(Br)ccc(\C=N\NC(COc(ccc(c2C)C)c2)=O)o1,0.0
12708,CO-ADD:0234898,11.86,C(=O)(NCC(=O)N\N=C\c1cccc(O)c1)c2ccco2,0.0
12709,CO-ADD:0234764,11.86,c1(NC(COc2ccccc2)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
12710,CO-ADD:0234712,11.86,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(=O)Cc3cccc(cccc4)c34)Br,0.0
12711,CO-ADD:0225370,11.86,c12n(ccn(nc(c3ccccc3)c4)c14)c(nn2)SCC(=O)Nc5c(C)cc(cc5C)C,0.0
12712,CO-ADD:0221442,11.86,n(c(Nc1ccccc1)sc2\C(\N)=N\C#N)c2N,0.0
12713,CO-ADD:0220958,11.86,C(=N/NC(=O)c1ccc(cc1)O)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
12714,CO-ADD:0219032,11.86,N(=C1c2ccccc2)\C(\C(O1)=O)=C\c3c(C)c(C)cc(C)c3C,0.0
12715,CO-ADD:0221243,11.86,C1(\N=C\c2c(cccc2F)Cl)=C(C)N(N(c3ccccc3)C1=O)C,0.0
12716,CO-ADD:0225641,11.86,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4ccccc4C(F)(F)F)=O,0.0
12717,CO-ADD:0225673,11.86,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)NCc4ccccc4Cl)=O,0.0
12718,CO-ADD:0225705,11.86,C1(=N2)N(C=CN=C1Oc(cc(C)cc3C)c3)C(N2CC(=O)Nc4ccc(cc4F)Cl)=O,0.0
12719,CO-ADD:0225450,11.86,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)NCc(cc5)ccc5OC)=O,0.0
12720,CO-ADD:0225660,11.86,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc4ccc(cc4F)Br)=O,0.0
12721,CO-ADD:0214918,11.86,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2C)C(=O)Nc3cccc(Br)c3,0.0
12722,CO-ADD:0214942,11.86,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\NC(=O)c3cccc(O)c3,0.0
12723,CO-ADD:0214974,11.85,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)c2ccc(cc2)COc(cc3)ccc3C,0.0
12724,CO-ADD:0215402,11.85,C12(c3c(NC1=O)cccc3)C4=C(CCCC4=O)OC(N)=C2C#N,0.0
12725,CO-ADD:0215594,11.85,c1(ccc(cc1Cl)Cl)C(=O)Oc2ccc(c3c2\C=N\NC(=O)c4ccc(cc4)OC)cccc3,0.0
12726,CO-ADD:0215455,11.85,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)N\N=C(/C)\c(cccc4[N+](=O)[O-])c4,0.0
12727,CO-ADD:0166066,11.85,c1(c(\C=N\NC(c(cc2)ccn2)=O)ccc(OC(C)=O)c1OC)[N+](=O)[O-],0.0
12728,CO-ADD:0166154,11.85,c1(ccc(\C=N\NC(COc2c(C)cccc2C)=O)o1)c3cc(Cl)ccc3Cl,0.0
12729,CO-ADD:0166134,11.85,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2cccc(C)c2O,0.0
12730,CO-ADD:0166370,11.85,C(=O)(Nc(cc1)ccc1NC(C)=O)C\C(\C)=N\NC(=O)c2ccc(cc2)NC(C)=O,0.0
12731,CO-ADD:0220844,11.85,N(=C(/C)\C(C)C)/NC(CNc1c(Br)cc(c(Br)c1)Br)=O,0.0
12732,CO-ADD:0220673,11.85,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(cc(Br)cc3Br)c3OC,0.0
12733,CO-ADD:0220060,11.85,[N+](=O)([O-])c(ccc(c1C(=O)Nc(cc2)ccc2C(C)=O)C(O)=O)c1,0.0
12734,CO-ADD:0219405,11.85,S(=O)(=O)(c1ccc(cc1)C)N\N=C\c2ccccc2OCc3ccccc3Cl,0.0
12735,CO-ADD:0221177,11.85,c1(NC(CNC2CCCCC2)=O)c3c(cccc3)nc(CCCC)c1CCC,0.0
12736,CO-ADD:0220602,11.85,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cccc2OC(=O)c(cc3)ccc3[N+](=O)[O-])c2,0.0
12737,CO-ADD:0227198,11.85,C(CNc1cccc(Br)c1)(=O)N\N=C(/CCC)\CCC,0.0
12738,CO-ADD:0231255,11.85,C(=O)(N\N=C(/C)\CC(=O)Nc(cccn1)c1)C(=O)Nc(cc2)ccc2CC,0.0
12739,CO-ADD:0229567,11.85,S(NCCCNc(cc1)c(Cl)cc1[N+](=O)[O-])(=O)(=O)c2ccc(c3c2)cccc3,0.0
12740,CO-ADD:0227527,11.85,c1(\C=N/NC(CNc2cccc(Br)c2)=O)c3c(cccc3)cc(cccc4)c14,0.0
12741,CO-ADD:0227310,11.85,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(ccc(c34)OCO3)c4,0.0
12742,CO-ADD:0229613,11.85,N1(c2ccc(cc2)O)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(cc4)ccc4C(O)=O,0.0
12743,CO-ADD:0234880,11.85,c1(c(Br)cc(cc1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)Br)OC(=O)c(ccc(c34)OCO3)c4,0.0
12744,CO-ADD:0233047,11.85,N1(CO)C(=O)\C(\SC1=S)=C(\C)/c2ccc(cc2)OC,0.0
12745,CO-ADD:0232832,11.84,N1(CNc2ccccc2Br)C(=S)OC(c3ccccc3Br)=N1,0.0
12746,CO-ADD:0236656,11.84,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc2)ccc2C)c3c(OC)ccc(OC)c3,0.0
12747,CO-ADD:0234302,11.84,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2ccccc2C#N)=O)c3ccccc3Cl,0.0
12748,CO-ADD:0229815,11.84,c1(CN(CC2)CCO2)n(C)c3c(cccc3)c1C#N,0.0
12749,CO-ADD:0228998,11.84,N1(CC(N)=O)C(=O)c2c(cccc2)C1=O,0.0
12750,CO-ADD:0229011,11.84,S(c1ccccc1)(=O)(=O)Nc2ncccn2,0.0
12751,CO-ADD:0227648,11.84,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc(c2OC)OCC=C)c2)c3cccc(Cl)c3Cl,0.0
12752,CO-ADD:0227699,11.84,c1(\C=N\NC(COc2ccc(c3c2cccc3)Br)=O)c4c([nH]c1C)cccc4,0.0
12753,CO-ADD:0221759,11.84,C(c1ccccc1)(c2ccccc2)(c3ccccc3)NC(=O)Nc(cc4)ccc4Br,0.0
12754,CO-ADD:0226277,11.84,S(=O)(=O)(N(Cc(cc1)ccc1OC)c2ccc(cc2)F)c(ccc3n4c(CC)nn3)c4,0.0
12755,CO-ADD:0225165,11.84,C1(=N2)N(C=CN(c3ccc(cc3)Br)C1=O)C(N2CC(=O)Nc4c(F)ccc(F)c4)=O,0.0
12756,CO-ADD:0226381,11.84,N1(C(C)=CC(=N2)Nc(cc3)ccc3C)C2=NN(CCOc(cc4)ccc4F)C1=O,0.0
12757,CO-ADD:0225902,11.84,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)Nc4ccc(c(OC)c4)OC)C2=O,0.0
12758,CO-ADD:0226113,11.84,S(=O)(=O)(N(Cc(cc1)ccc1C)c2ccc(cc2)CC)c3cccn(cnn4)c34,0.0
12759,CO-ADD:0226593,11.84,c1(C2=O)n(C=CN2c3cccc(Cl)c3C)c(nn1)SCC(=O)c4c[nH]c(ccc(OC)c5)c45,0.0
12760,CO-ADD:0226553,11.84,c1(nnc2SC(C)C(=O)c3ccc(c(C)c3)C)n2C=CN(c4ccc(c(F)c4)F)C1=O,0.0
12761,CO-ADD:0226530,11.84,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCc(cccc4C(F)(F)F)c4,0.0
12762,CO-ADD:0225493,11.84,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5ccc(cc5C)C)=O,0.0
12763,CO-ADD:0226610,11.84,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)NCc4cccc(OC)c4OC,0.0
12764,CO-ADD:0225586,11.84,N12C(C=CC(Sc3cccc(F)c3)=N1)=NN(CC(=O)NCc(cc4)ccc4C(F)(F)F)C2=O,0.0
12765,CO-ADD:0226706,11.84,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)NC(C)CC,0.0
12766,CO-ADD:0215567,11.84,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(=O)c3ccc(c(OC)c3)OC,0.0
12767,CO-ADD:0215785,11.83,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(=O)c(cccc3[N+](=O)[O-])c3)o2)c1,0.0
12768,CO-ADD:0215488,11.83,c1(ccccc1OC)C(=O)N\N=C\c2cc(ccc2O)Cc(ccc(c3\C=N\NC(=O)c4ccccc4OC)O)c3,0.0
12769,CO-ADD:0166571,11.83,C1(C(=O)NNC(=O)c2cccc(C)c2)CC1c3ccccc3,0.0
12770,CO-ADD:0166534,11.83,C(=O)(c1ccc(cc1)OCCCC)NCc(cc2)ccc2C(C)(C)C,0.0
12771,CO-ADD:0165880,11.83,C(=O)(c1cccc(c1)OC(NCC=C)=S)Nc2cccc(cccc3)c23,0.0
12772,CO-ADD:0222729,11.83,n(c1ccccc1)(nc(c2\C=N\c3ccc(cn3)C)C)c2O,0.0
12773,CO-ADD:0222497,11.83,n1c(ccc(c2)\N=C\c3cccc(I)c3O)c2oc1c4ccc(cc4)Br,0.0
12774,CO-ADD:0222692,11.83,C(=O)(c1cccc(I)c1)Nc2ccc(cc2C)Br,0.0
12775,CO-ADD:0222277,11.83,c1(ccccc1Br)C(=O)NCC(=O)N\N=C(/C)\c2ccc(cc2C)C,0.0
12776,CO-ADD:0220685,11.83,C(=N\N=C\c1ccccc1O)(/c2c(N3)ccc(Br)c2)\C3=O,0.0
12777,CO-ADD:0222726,11.83,C(COC)(=O)N\N=C\c(cc1)ccc1OC\C=C\Cl,0.0
12778,CO-ADD:0234323,11.83,c1(ccc(\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)o1)c3ccc(cc3Cl)Cl,0.0
12779,CO-ADD:0234465,11.83,[N+](=O)([O-])c1ccc(cc1Sc2cccc(cccn3)c23)N4CCCC4,0.0
12780,CO-ADD:0234240,11.83,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c3ccccc3Br,0.0
12781,CO-ADD:0233707,11.83,c1([nH]nc(C(CC2)CCN2C(=O)[C@H](CCCN3)C3)c1)C(F)(F)F.Cl,0.0
12782,CO-ADD:0234137,11.83,[N+](=O)([O-])c1ccc(cc1N)NCCO,0.0
12783,CO-ADD:0236118,11.83,c1(ccccc1NC(=O)Cn(ccn2)c2)C(OC)=O,0.0
12784,CO-ADD:0237343,11.83,FC1=C(C=C(NC(=O)N2CCCC2)C=C1)C1=NC2=CC(=CN=C2N1)C1=CC=CC=C1,0.0
12785,CO-ADD:0231379,11.83,c1(N2CCCC2)nc(N\N=C/c3c(cccc3Cl)Cl)nc(Nc4ccccc4)n1,0.0
12786,CO-ADD:0236520,11.83,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c(cc4)cc(c4OC(=O)c5ccc(cc5Cl)Cl)OC,0.0
12787,CO-ADD:0233555,11.82,c1(c(Br)cc(cc1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)Br)OC(=O)c(ccc(c34)OCO3)c4,0.0
12788,CO-ADD:0231570,11.82,n1c2c(oc1c3ccc(cc3)\N=C\c(cc4)ccc4[N+](=O)[O-])cccc2C,0.0
12789,CO-ADD:0230932,11.82,S(c1ccccc1)(=O)(=O)N(CC(NCCc(cc2)ccc2Cl)=O)c3ccc(cc3OC)OC,0.0
12790,CO-ADD:0232967,11.82,c1(NC(CNC(C)(C)CC(C)(C)C)=O)c2c(cccc2)nc(CC)c1C,0.0
12791,CO-ADD:0230981,11.82,n(c(NCCC)nc(n1)Cl)c1NCc(cccn2)c2,0.0
12792,CO-ADD:0232848,11.82,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2Cl)N(CC3C)CC(N3)C,0.0
12793,CO-ADD:0229065,11.82,C(c1ccccc1)(=O)Nc(cc2)ccc2C(=O)N\N=C\c(cc3)ccc3OC,0.0
12794,CO-ADD:0233500,11.82,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(COc3ccc(cc3Br)Cl)=O,0.0
12795,CO-ADD:0236018,11.82,N1(C(Cc(cc2)ccc2[N+](=O)[O-])C(=O)NC(C)c3ccccc3)C(=O)c4c(cccc4)C1=O,0.0
12796,CO-ADD:0235973,11.82,N(c1cccc(c1)[N+](=O)[O-])(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
12797,CO-ADD:0225910,11.82,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc4c(C)cc(cc4C)C)C2=O,0.0
12798,CO-ADD:0225178,11.82,N12C(C=CC(C(=O)Nc(cc3)ccc3OC)=C1)=NN(CC(=O)Nc(ccc(c4F)C)c4)C2=O,0.0
12799,CO-ADD:0226378,11.82,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(=O)N4CCCc(cccc5)c45)=O,0.0
12800,CO-ADD:0226386,11.82,N1(C(C)=CC(=N2)Nc(ccc(c3F)C)c3)C2=NN(CC(=CC4=O)N=C(N45)C=CC=C5)C1=O,0.0
12801,CO-ADD:0226826,11.82,c12n(cnn1)c3c(cccc3)nc2SCC(=O)Nc(cc4)ccc4C(C)C,0.0
12802,CO-ADD:0226515,11.82,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)c4ccc(cc4C)C,0.0
12803,CO-ADD:0225947,11.82,N12C(C=CC(c3ccccc3)=N1)=NN(Cc(cc4)ccc4N5CCCC5=O)C2=O,0.0
12804,CO-ADD:0226567,11.82,c12n(C=CN(c3cccc(F)c3)C1=O)c(nn2)SCC(=O)Nc4ccc(c(OC)c4)OC,0.0
12805,CO-ADD:0225666,11.82,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)N(CC4)CCN4c5ccccc5OC)=O,0.0
12806,CO-ADD:0225613,11.81,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccccc4C(OCC)=O)=O,0.0
12807,CO-ADD:0225629,11.81,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc(ccc(c45)OCO4)c5)=O,0.0
12808,CO-ADD:0225693,11.81,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)Nc4cccc(SC)c4)=O,0.0
12809,CO-ADD:0226746,11.81,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(Cc(cc5)ccc5Cl)C1=O,0.0
12810,CO-ADD:0234767,11.81,c1(C(OC)=O)c(c2ccc(cc2)C)c([nH]c1C)C,0.0
12811,CO-ADD:0234329,11.81,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
12812,CO-ADD:0234954,11.81,c1(OCC(=O)N\N=C\c2ccc(cc2O)OC)c(Br)cc(cc1Br)OC,0.0
12813,CO-ADD:0234961,11.81,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(ccc(c2[N+](=O)[O-])O)c2,0.0
12814,CO-ADD:0234976,11.81,c1(c(Br)cc(cc1\C=N/NC(COc(cc2)ccc2Cl)=O)Br)OC(=O)c3cccc(Br)c3,0.0
12815,CO-ADD:0234980,11.81,c1(c(O)c(\C=N\NC(COc2c(C)cccc2C)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
12816,CO-ADD:0236624,11.81,c1(C#N)c(cc(nc1SCC(=O)NC2CC2)C)C(F)(F)F,0.0
12817,CO-ADD:0233089,11.81,C(=O)(NNC(=O)c(cccn1)c1)c2ccco2,0.0
12818,CO-ADD:0237170,11.81,ClC1=CC=C([C@@](C)(C2=CC=CC=C2)OCCC3N(C)CCC3)C=C1.C(O)(=O)\C=C\C(O)=O,0.0
12819,CO-ADD:0237172,11.81,COc1ccccc1C(C)NCC(=O)Nc2cc(ccc2Cl)C(F)(F)F,0.0
12820,CO-ADD:0237340,11.81,OCCNc1ccc(cc1)C(=O)C2C[C@H]2c3ccc(Cl)cc3,0.0
12821,CO-ADD:0237421,11.81,CO\N=C(/C(=O)OC)\c1ccccc1CO\N=C(/C)\c2cccc(c2)C(F)(F)F,0.0
12822,CO-ADD:0222259,11.81,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4cccc(F)c4,0.0
12823,CO-ADD:0220546,11.81,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(=O)\C(=C\c3ccccc3O)\NC(c4ccccc4)=O,0.0
12824,CO-ADD:0220318,11.81,C(CNc1ccccc1C)(=O)N\N=C\c(cc2)ccc2Cl,0.0
12825,CO-ADD:0220287,11.81,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(NCCCCCC)=O,0.0
12826,CO-ADD:0219165,11.81,N(=C\c1cccc(I)c1)/NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
12827,CO-ADD:0218944,11.8,C(C(c1ccccc1)=O)C(c2ccc(cc2)Cl)Nc3cccc(Br)c3,0.0
12828,CO-ADD:0229365,11.8,N1(CCCC1C(O)=O)CP(O)(O)=O,0.0
12829,CO-ADD:0231327,11.8,C(=O)(C(C)=C)Nc(cccc1C(=O)\C=C\c(cc2)ccc2\C=C\C(=O)c(cccc3NC(=O)C(C)=C)c3)c1,0.0
12830,CO-ADD:0228003,11.8,c12c(c(ccc1)CC3)c3ccc2\C(\C)=N\NC(COc4ccc(cc4OC)Br)=O,0.0
12831,CO-ADD:0231247,11.8,C(=O)(Nc1ccc(cc1Br)Br)c2ccccc2Cl,0.0
12832,CO-ADD:0231290,11.8,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc(ccc(c34)cccc3)c4,0.0
12833,CO-ADD:0227828,11.8,C(=C/c(ccc(c1OCC)O)c1)(/C2=O)\C(c3ccc(cc3)Cl)=NO2,0.0
12834,CO-ADD:0231027,11.8,c1(ccccc1O)C(=O)N\N=C\c2cc(ccc2O)Cc(ccc(c3\C=N\NC(=O)c4ccccc4O)O)c3,0.0
12835,CO-ADD:0236611,11.8,C1(C#N)(C#N)[C@H](c(cc2)ccc2c3ccccc3)[C@H](N4[C@]1([H])C=Cc(c45)cc(cc5)Cl)C(=O)C(F)(F)F,0.0
12837,CO-ADD:0234097,11.8,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cccc(Cl)c4Cl,0.0
12838,CO-ADD:0234864,11.8,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)cc(c3OC(=O)c4ccc(cc4)Br)OCC,0.0
12839,CO-ADD:0230980,11.8,c1(c(O)ccnc1C(F)(F)F)C(C)=O,0.0
12840,CO-ADD:0228984,11.8,n(c(NCCC)nc(n1)OC)c1NCCC,0.0
12841,CO-ADD:0236580,11.8,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SC\C(\N)=N/C#N)c3ccccc3,0.0
12842,CO-ADD:0234855,11.8,[N+](=O)([O-])c1ccc(c(c1)\N=C\c(cc2)ccc2C#Cc3ccccc3)C,0.0
12843,CO-ADD:0231149,11.8,C(Oc(cc1)ccc1C(=O)Nc2cccc(Br)c2)(=S)Nc(ccc(c34)cccc3)c4,0.0
12844,CO-ADD:0231341,11.8,c(Oc1cccc(N)c1)(c(F)c2F)c(F)c(c2Oc3cccc(N)c3)F,0.0
12845,CO-ADD:0227558,11.8,N(=C\c1ccc(cc1Cl)Cl)/c2cc(CC)ccc2O,0.0
12846,CO-ADD:0227112,11.8,n1c(COC(=O)C(CSCc2ccccc2)NC(c3ccccc3)=O)c(oc1c4ccccc4)COC(=O)C(CSCc5ccccc5)NC(c6ccccc6)=O,0.0
12847,CO-ADD:0229671,11.8,N(C(O)=CC(O1)=N)=C1c2ccccc2,0.0
12848,CO-ADD:0229621,11.8,c(C(c1ccccc1)=O)(c(N)c(c23)ccc(c(cccn4)c4)n2)s3,0.0
12849,CO-ADD:0229587,11.8,c1([N+](=O)[O-])nn(c(C)c1Cl)CC(NCCCN(CC2)CCO2)=O,0.0
12850,CO-ADD:0226219,11.8,S(=O)(=O)(N(Cc1cccc(Cl)c1)c2ccc(cc2)OC)c(ccc(n3c4)nn4)c3,0.0
12851,CO-ADD:0225171,11.79,c12n(C=CN(c3ccc(cc3)OC)C1=O)c(nn2)c(cccc4[N+](=O)[O-])c4,0.0
12852,CO-ADD:0225840,11.79,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)Nc4cccc(SC)c4)=O,0.0
12853,CO-ADD:0225856,11.79,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)N(CC4)CCN4c5ccc(cc5)F)=O,0.0
12854,CO-ADD:0226272,11.79,S(=O)(=O)(N(c1ccc(cc1)F)Cc(cc2F)cc(c2)F)c(ccc3n4c(C)nn3)c4,0.0
12855,CO-ADD:0222462,11.79,C(OCCN(CCCC)CCCC)(=O)c1cccc(F)c1.Cl,0.0
12856,CO-ADD:0220448,11.79,S(=O)(=O)(c1ccc(cc1)\N=C\c2ccccc2O)c3ccc(cc3)\N=C\c4cc(Br)ccc4O,0.0
12857,CO-ADD:0222453,11.79,c1(N2CCCCC2)nc(N\N=C\c3ccccc3Br)nc(Nc4ccccc4)n1,0.0
12858,CO-ADD:0220421,11.79,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(cc3)ccc3Cl,0.0
12859,CO-ADD:0226003,11.79,C1(=N2)N(C=CN=C1N3CCCC3)C(N2CC(=O)Nc4cccc(SC)c4)=O,0.0
12860,CO-ADD:0226024,11.79,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc4ccccc4Br)=O,0.0
12861,CO-ADD:0226552,11.79,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)SCC(=O)c4ccc(c(OC)c4)OC,0.0
12862,CO-ADD:0225988,11.79,n12c(ccc(c3ccc(cc3)C)n1)nnc2CCC(=O)NCc4cccc(Br)c4,0.0
12863,CO-ADD:0226789,11.79,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cc4)ccc4F)c(nn1)C(C)C,0.0
12864,CO-ADD:0225459,11.79,c12n(ccn(c(nn3)CCC(=O)NCc(ccc(c4OC)OC)c4)c13)nc(c5ccc(cc5)OC)c2,0.0
12865,CO-ADD:0226471,11.79,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc4ccccc4F,0.0
12866,CO-ADD:0225272,11.78,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc(ccc(c3C)C)c3)C2=O,0.0
12867,CO-ADD:0225288,11.78,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)N(CC3)CCN3c4ccc(cc4)F)C2=O,0.0
12868,CO-ADD:0236339,11.78,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(N)=O)C2c3cccs3,0.0
12869,CO-ADD:0236896,11.78,C(NCCOc1cccc(OC)c1)(=O)\C=C\c(cc2)ccc2c3ccccc3,0.0
12870,CO-ADD:0236344,11.78,c(C#N)(c1SCC(N)=O)c(SC)sn1,0.0
12871,CO-ADD:0233363,11.78,n1c2n(nc1C(O)=O)cc(Br)cn2,0.0
12872,CO-ADD:0231607,11.78,[N+](=O)([O-])c1cc2c(cc1\C=N\c(cc3)ccc3NC(C)=O)OCO2,0.0
12873,CO-ADD:0231588,11.78,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc4nccc(Cl)c4,0.0
12874,CO-ADD:0218919,11.78,N(=C(\CCC)/c1ccccc1)/NC(=O)c2ccc(cc2)Cl,0.0
12875,CO-ADD:0219715,11.78,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c(ccc(c2OCC)O)c2,0.0
12876,CO-ADD:0219517,11.78,C(/O)(\c1ccc(cc1)C)=C/C=N/c(cc2)ccc2CCCC,0.0
12877,CO-ADD:0220639,11.78,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/C)\c(cc3)ccc3c4ccccc4,0.0
12878,CO-ADD:0220344,11.78,C(CNc1cccc(C)c1)(=O)N\N=C\C(\Br)=C\c2ccccc2,0.0
12879,CO-ADD:0219143,11.78,C(=O)(Nc1cccc(F)c1)C(NCCCC)=O,0.0
12880,CO-ADD:0229683,11.78,c1(NCC(=O)N\N=C\c2ccccc2F)c(Br)cc(cc1Br)Cl,0.0
12881,CO-ADD:0227905,11.78,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)Nc3sccn3,0.0
12882,CO-ADD:0227354,11.78,N(=C(/C)\c(cc1)ccc1c2ccccc2)/NC(=O)Cc3ccc(c(cccc4)c34)Br,0.0
12883,CO-ADD:0227455,11.78,c1(NCC(=O)N\N=C\c2cc(OC)ccc2O)c(Br)cc(cc1Br)Cl,0.0
12884,CO-ADD:0229637,11.78,c1(cc(n2c3ccc(cc3)OC)c4ccccc4)c2CC(C)(C)CC1=O,0.0
12885,CO-ADD:0227090,11.77,C12(c3c(NC1=O)ccc(Cl)c3)C4=C(CCCC4=O)OC(N)=C2C#N.[Na+],0.0
12886,CO-ADD:0234838,11.77,c1(c(Br)cc(cc1\C=N\NC(CNc(cc2)ccc2C)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
12887,CO-ADD:0234831,11.77,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3cccc(OC)c3)OC,0.0
12888,CO-ADD:0234585,11.77,c1(Br)oc(cc1Br)\C=N\NC(COc(cc2)ccc2Cl)=O,0.0
12889,CO-ADD:0232891,11.77,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2Cl)Cl)CC(=O)N(CC)CC,0.0
12890,CO-ADD:0236612,11.77,C1(C#N)(C#N)[C@H](c2ccccc2)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5ccccc5I,0.0
12891,CO-ADD:0236740,11.77,N1(Cc2ccccc2)C(C)(O)C(OC1=O)(C)C,0.0
12892,CO-ADD:0231542,11.77,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccc(cc2Br)Cl)=O)c3cccc(F)c3,0.0
12893,CO-ADD:0233638,11.77,c1(\C=N\NC(COc(cc2)ccc2Cl)=O)c3c(cccc3)cc(cccc4)c14,0.0
12894,CO-ADD:0233421,11.77,c1(c2cccc(c2)\N=C\c(cc(Br)cc3Cl)c3O)oc(c4n1)cccc4,0.0
12895,CO-ADD:0236644,11.77,C1(C#N)(C#N)C(c2ccccc2)C(C3)C(C(C#N)=C1N)=CCN3.C(=O)O,0.0
12896,CO-ADD:0236566,11.77,C1(C2c3cccc(Cl)c3Cl)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
12897,CO-ADD:0230929,11.77,c12n(ncn1\N=C\c(cc3)ccc3F)c(nn2)SCc4cccc(Br)c4,0.0
12898,CO-ADD:0233214,11.77,c1(SCCN(CC2)CCO2)[nH]c(c3n1)cccc3.Cl.Cl,0.0
12899,CO-ADD:0233216,11.77,C(N)(=O)N\N=C\c(cc1)ccc1N(C)C,0.0
12900,CO-ADD:0236664,11.76,n1c(c2ccc(cc2)NC(=O)c(cc3)ccc3[N+](=O)[O-])c4c(nc1c5ccccc5)cccc4,0.0
12901,CO-ADD:0234551,11.76,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc2ccccc2N,0.0
12902,CO-ADD:0227838,11.76,C1(c2c(ccc(cccc3)c23)NC4c5cc(I)cc(I)c5OC)=C4CC(C)(C)CC1=O,0.0
12903,CO-ADD:0227832,11.76,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCCCC,0.0
12904,CO-ADD:0227327,11.76,N(=C(/C)\c(cc1)ccc1C(C)C)/NC(COc2ccc(cc2OC)Br)=O,0.0
12905,CO-ADD:0227083,11.76,[N+](=O)([O-])c1ccc(cc1Oc(cc2)c(Br)cc2C(F)(F)F)Oc(cc3)c(Br)cc3C(F)(F)F,0.0
12906,CO-ADD:0228008,11.76,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
12907,CO-ADD:0227157,11.76,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c2cccc(OC)c2,0.0
12908,CO-ADD:0226360,11.76,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)Nc(cc4)ccc4CC,0.0
12909,CO-ADD:0225216,11.76,N1(c(cccc2)c2C(N3CCC(=O)NC(C)C)=O)C3=NN(CC#N)C1=O,0.0
12910,CO-ADD:0226355,11.76,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)Nc4ccccc4F,0.0
12911,CO-ADD:0225219,11.76,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc(cc4)ccc4OC)C2=O,0.0
12912,CO-ADD:0220755,11.76,[N+](=O)([O-])c1ccc(cc1\C=N\NC(CNc2cccc(C)c2)=O)O,0.0
12913,CO-ADD:0221989,11.76,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
12914,CO-ADD:0226573,11.76,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)c4c5c([nH]c4)cccc5,0.0
12915,CO-ADD:0226581,11.76,c12n(C=CN(c3ccc(c(C)c3)C)C1=O)c(nn2)SCC(=O)Nc4c(OC)ccc(Cl)c4,0.0
12916,CO-ADD:0225933,11.76,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)N(CC4)CCN4c5ccc(cc5)OC)C2=O,0.0
12917,CO-ADD:0225304,11.76,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc4c(OC)cc(c(Cl)c4)OC)C2=O,0.0
12918,CO-ADD:0227008,11.76,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc(cc5)ccc5OCC,0.0
12919,CO-ADD:0226480,11.75,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)NCc4cccc(OC)c4,0.0
12920,CO-ADD:0226411,11.75,C1(=NN(C2=O)Cc3ccccc3Cl)N2C=CN(c4ccccc4)C1=O,0.0
12921,CO-ADD:0226620,11.75,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCC(=O)Nc(cc(C)cc4C)c4,0.0
12922,CO-ADD:0234113,11.75,[N+](=O)([O-])c(cccc1n2cccc2C=O)c1,0.0
12923,CO-ADD:0234049,11.75,C(/C(=O)c1ccc(cc1)I)=C\c2ccccc2F,0.0
12924,CO-ADD:0236326,11.75,C12=C(C(C(C#N)=C(N)O1)c3ccccc3)C(N(C)C(=O)N2C)=O,0.0
12925,CO-ADD:0234402,11.75,c1(SCC(=O)Nc2ccc(cc2C)C)[nH]c(c3n1)cccc3,0.0
12926,CO-ADD:0236321,11.75,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC#C)c3ccccc3,0.0
12927,CO-ADD:0236392,11.75,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(c(cccc3)c3n4Cc5ccccc5)c4)\C1=O)=O,0.0
12928,CO-ADD:0219103,11.75,c1(N\N=C\c(cc2)ccc2N(C)C)[nH]nnn1,0.0
12929,CO-ADD:0219495,11.75,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc2ccccc2Cl,0.0
12930,CO-ADD:0220066,11.75,C12(CC3CC(CC(C3)C1)C2)c(cc4)ccc4C(C)C,0.0
12931,CO-ADD:0218920,11.75,c1(\C=N\NC(CCC(=O)Nc2ccccc2Br)=O)cc(OC)ccc1OC,0.0
12932,CO-ADD:0220086,11.75,C1(c2ccccc2Cl)N(c3ccc(cc3)C)CCN1c4ccc(cc4)C,0.0
12933,CO-ADD:0220251,11.75,C(CNc(cc1)ccc1C)(=O)N\N=C\c(ccc(c2Br)OC)c2,0.0
12934,CO-ADD:0227123,11.75,n12c(c3c(cccc3)CC1(C)C)nnn2,0.0
12935,CO-ADD:0229203,11.75,N1(c2cccc(c2)C(=O)Nc(cc3)ccc3C)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
12936,CO-ADD:0227502,11.75,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N/NC(COc3ccc(cc3Br)Cl)=O,0.0
12937,CO-ADD:0227470,11.75,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(CNc3ccccc3C)=O,0.0
12938,CO-ADD:0229211,11.75,C1(=C(O)CC(C)(C)CC1=O)C(c(cccc2[N+](=O)[O-])c2)C3C(=O)CC(CC3=O)(C)C,0.0
12939,CO-ADD:0229197,11.75,n1(nnc(C)c1C(=O)N\N=C\c(ccc(c23)OCO2)c3)c4nonc4N,0.0
12940,CO-ADD:0233107,11.75,n1c(ccc(Cl)n1)N\N=C/c2ccccc2O,0.0
12941,CO-ADD:0231611,11.75,c1(oc(c2n1)cccc2)c3ccc(cc3O)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
12942,CO-ADD:0233076,11.75,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c5ccccc5)O1,0.0
12943,CO-ADD:0233068,11.75,c(c(CC)nc1NC(CC)=O)(s1)c(ccc2[N+](=O)[O-])o2,0.0
12944,CO-ADD:0232922,11.75,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)NCC(C)C,0.0
12945,CO-ADD:0232909,11.75,C(N)(=S)Nc(cc1)ccc1NC(N)=S,0.0
12946,CO-ADD:0231108,11.74,[N+](=O)([O-])c1ccc(cc1)N\N=C\c2cc(ccc2OC(CC)=O)Cc(ccc(c3\C=N\Nc(cc4)ccc4[N+](=O)[O-])OC(CC)=O)c3,0.0
12947,CO-ADD:0234602,11.74,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(COc(cc2)ccc2Cl)=O)Br,0.0
12948,CO-ADD:0234580,11.74,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(ccc(c2C)C)c2)=O)c3ccccc3I,0.0
12949,CO-ADD:0231449,11.74,c1(oc(c2n1)ccc(c2)\N=C\c(c(O)ccc3C(O)=O)c3)c4cccc(Cl)c4Cl,0.0
12950,CO-ADD:0231151,11.74,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c2ccc(cc2O)OC)[N+](=O)[O-],0.0
12951,CO-ADD:0234573,11.74,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2c(C)cccc2C)=O)c3cccc(Br)c3,0.0
12952,CO-ADD:0233259,11.74,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1Br)c2cccc(cccc3)c23,0.0
12953,CO-ADD:0233212,11.74,N1(C)C(=O)c2c(c3C1=O)c(ccc2)c(cc3)Br,0.0
12954,CO-ADD:0234576,11.74,N(\C(=C/c(cc1)ccc1[N+](=O)[O-])\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
12955,CO-ADD:0231546,11.74,C(=O)(N\N=C\c1cccc(O)c1)c(ccc(c23)OCCO2)c3,0.0
12956,CO-ADD:0231519,11.74,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(COc(cc3)ccc3C)=O)Br,0.0
12957,CO-ADD:0234552,11.74,n1cc(cc2c1cccc2)\N=C\c(cc3)ccc3Br,0.0
12958,CO-ADD:0227388,11.74,c(Br)(c(C)c(C)cc1\C=N\c(ccc(c2Cl)Cl)c2)c1O,0.0
12959,CO-ADD:0231756,11.74,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(c(C)c(Br)c(c4Br)O)c4O,0.0
12960,CO-ADD:0227356,11.74,N(=C(\CCCC1)/C1C)/NC(CNc(cc2)ccc2Cl)=O,0.0
12961,CO-ADD:0227071,11.74,c1(nn(cn1)CC(=O)N(C)\N=C\c2ccc(cc2O)O)[N+](=O)[O-],0.0
12962,CO-ADD:0227428,11.73,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)Nc2cccc(OC)c2,0.0
12963,CO-ADD:0227119,11.73,c1(scc(c2ccccc2)n1)NC(CSc3nnc(SCC(=O)Nc4scc(c5ccccc5)n4)s3)=O,0.0
12964,CO-ADD:0225844,11.73,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)Nc(cccc4C(F)(F)F)c4)=O,0.0
12965,CO-ADD:0226276,11.73,S(=O)(=O)(N(Cc1cccc(OC)c1)c2ccc(cc2)F)c(ccc3n4c(CC)nn3)c4,0.0
12966,CO-ADD:0225892,11.73,N12C(C=CC(c3ccc(cc3)C)=N1)=NN(CC(=O)Nc(cc4)ccc4C(C)=O)C2=O,0.0
12967,CO-ADD:0225246,11.73,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc(ccc(c4F)F)c4)C2=O,0.0
12968,CO-ADD:0225858,11.73,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)NCc4ccccc4OC)=O,0.0
12969,CO-ADD:0219306,11.73,c1(N2CCCC2)nc(N\N=C\c3ccccc3)nc(Nc4ccccc4)n1,0.0
12970,CO-ADD:0221810,11.73,S(CCCCCCCCCC)(CCCOC(CCCCCCCCC)=O)(=O)=O,0.0
12971,CO-ADD:0219833,11.73,N1(c(cc2)ccc2C(OC)=O)C(=O)c(c3C1=O)cccc3,0.0
12972,CO-ADD:0221855,11.73,C(OC)(COc(cc1)ccc1CO)=O,0.0
12973,CO-ADD:0225611,11.73,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc(cc4)ccc4C#N)=O,0.0
12974,CO-ADD:0225659,11.73,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc4cccc(Br)c4)=O,0.0
12975,CO-ADD:0225715,11.73,C1(=N2)N(C=Nc3c1sc(n3)N4CCCC4)C(N2CC(=O)Nc5ccccc5C(OC)=O)=O,0.0
12976,CO-ADD:0226661,11.73,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4cccc(F)c4,0.0
12977,CO-ADD:0234510,11.73,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cc(Br)ccc2OC,0.0
12978,CO-ADD:0234508,11.73,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2ccccc2F,0.0
12979,CO-ADD:0231596,11.73,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\c(cccc3[N+](=O)[O-])c3,0.0
12980,CO-ADD:0233154,11.73,[N+](=O)([O-])c1cccc(c1)NC(=O)c(cccn2)c2,0.0
12981,CO-ADD:0234950,11.73,c1(OCC(=O)N\N=C\c2cc(C)ccc2O)c(Br)cc(cc1Br)OC,0.0
12982,CO-ADD:0234722,11.73,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3cccc(F)c3)=O,0.0
12983,CO-ADD:0220994,11.73,C(COc1cccc(Br)c1)(=O)N\N=C\c2ccccc2OCC(O)=O,0.0
12984,CO-ADD:0222051,11.73,N1(c2ccccc2)C(=S)NN=C1c3ccc(c(OC)c3)OC,0.0
12985,CO-ADD:0219608,11.73,C(/O)(\c1ccc(cc1)Br)=C/C=N/c(cc2)ccc2C,0.0
12986,CO-ADD:0222699,11.73,[N+](=O)([O-])c(ccc(c1\C=N\c(cc2)ccc2c(cc3)ccc3[N+](=O)[O-])O)c1,0.0
12987,CO-ADD:0222229,11.73,c1(O)c(OC)cc(cc1OC)\C=N\NC(CNc(ccc(c23)cccc2)c3)=O,0.0
12988,CO-ADD:0222244,11.73,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(CNc2cccc(cccc3)c23)=O,0.0
12989,CO-ADD:0229366,11.73,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2CC)N(CC3)CCO3,0.0
12990,CO-ADD:0227479,11.73,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2OC)cc(c2OC)OC)=C/c3cccs3,0.0
12991,CO-ADD:0227732,11.73,c1(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
12992,CO-ADD:0227974,11.73,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2Cl,0.0
12993,CO-ADD:0227951,11.73,c1(c(Br)cc(cc1\C=N\NC(COc2cccc(C)c2)=O)Br)OC(c3ccccc3)=O,0.0
12994,CO-ADD:0229403,11.73,C(=O)(Nc(cc1)ccc1NC(C)=O)C\C(\C)=N\NC(=O)CC#N,0.0
12995,CO-ADD:0231050,11.73,S(=O)(=O)(c1ccc(cc1)C)NC(C(C)C)C(NN)=O,0.0
12996,CO-ADD:0230997,11.73,C(=O)(N\N=C\c(ccc(c1OC)O)c1)OC(C)(C)C,0.0
12997,CO-ADD:0230973,11.73,[N+](=O)([O-])c(cccc1C(=O)Oc(cc2)ccc2CC(C(OC)=O)NC(c3ccccc3)=O)c1,0.0
12998,CO-ADD:0230959,11.72,C(=C/c(cc1)cc(c1OC(C)=O)OC)(/NC(c2ccccc2)=O)\C(=O)Nc3cccc(CO)c3,0.0
12999,CO-ADD:0236178,11.72,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)Nc(cc3)ccc3F,0.0
13000,CO-ADD:0236623,11.72,C(C#N)(C1(CCCC1)C(C#N)C(N2)=O)=C2SCC=C,0.0
13001,CO-ADD:0231017,11.72,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
13002,CO-ADD:0236704,11.72,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2OC)\C(N1CC(C)C)=O,0.0
13003,CO-ADD:0233470,11.72,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Br)cc4[N+](=O)[O-])c4O)cccc2C,0.0
13004,CO-ADD:0231559,11.72,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccccc2C)=O)c3cccc(F)c3,0.0
13005,CO-ADD:0231552,11.72,C1(COc(c2O1)cccc2)C(=O)N\N=C\c3cc(Br)cc(Br)c3OC(=O)c4cccc(C)c4,0.0
13006,CO-ADD:0230956,11.72,C(C(=O)c1ccc(cc1)Cl)(C2c3ccccc3F)=C(O)C(N2CCO)=O,0.0
13007,CO-ADD:0233243,11.72,c1(ccccc1I)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Br,0.0
13008,CO-ADD:0231112,11.72,C1(O)(CC(=NN1C(C(C)C)=O)CCCC)C(F)(F)C(F)(F)C(F)(F)F,0.0
13009,CO-ADD:0236646,11.72,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCc3cccc(OC)c3)c4ccccc4.O,0.0
13010,CO-ADD:0230982,11.71,c1(NC(CSc2nc(C)cc(C)n2)=O)sc(c(ccc3C(OCC)=O)n1)c3,0.0
13011,CO-ADD:0236668,11.71,S(=O)(=O)(c1ccc(cc1)NC(CCl)=O)\N=C(\N)/N,0.0
13012,CO-ADD:0227127,11.71,c1(N\N=C\c(c2c([nH]3)cccc2)c3)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
13013,CO-ADD:0231720,11.71,c1(OCC(=O)N\N=C\c2c(OCC)ccc(cccc3)c23)c(OC)cc(cc1Br)Br,0.0
13014,CO-ADD:0227353,11.71,c1(\C=N/NC(CNc(ccc(c23)cccc2)c3)=O)c4c(cccc4)cc(cccc5)c15,0.0
13015,CO-ADD:0227096,11.71,C12(c3c(NC1=O)ccc(Br)c3)C4=C(CC(C)(C)CC4=O)OC(N)=C2C#N,0.0
13016,CO-ADD:0227126,11.71,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cccc(cccc5)c45,0.0
13017,CO-ADD:0227657,11.71,C12C(C=CC(C3C(=O)NCC(C4)(CC(C5)CC6CC45)C6)C1C2)C3C(O)=O,0.0
13018,CO-ADD:0226266,11.71,S(=O)(=O)(N(Cc1cccc(C)c1)c2ccc(cc2)F)c(ccc3n4c(C)nn3)c4,0.0
13019,CO-ADD:0226207,11.71,S(=O)(=O)(N(c1ccccc1)Cc(cc2)ccc2F)c(ccc3n4c(CC)nn3)c4,0.0
13020,CO-ADD:0226931,11.71,C1(=N2)N(c3c(cccc3)N=C1Sc4cccc(OC)c4)C(N2CC(=O)Nc5ccccc5)=O,0.0
13021,CO-ADD:0221124,11.71,C12(C)C(CCC(C1CC3)C(C3(C)CC4OC(CC)=O)C4)=CC(=O)C=C2,0.0
13022,CO-ADD:0220246,11.71,[N+](=O)([O-])c1cccc(\C=N\NC(COc(cccc2[N+](=O)[O-])c2)=O)c1O,0.0
13023,CO-ADD:0219848,11.71,c1(scc(c2ccccc2)n1)NC(=O)c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3,0.0
13024,CO-ADD:0218694,11.7,C(=O)(C(OC)c1ccccc1)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
13025,CO-ADD:0218551,11.7,C(=C/c1c2c(cccc2)cc(cccc3)c13)(/C(=O)N(C)C(N4C)=O)\C4=O,0.0
13026,CO-ADD:0218191,11.7,N1(CN(CC2)CCO2)C(=O)c3c(cccc3)C1=O,0.0
13027,CO-ADD:0218549,11.7,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c4cc(Br)ccc4O,0.0
13028,CO-ADD:0218170,11.7,c1(c2ccccc2)[nH]c(c3c1\C=N\NC(COc(ccc(c4C)C)c4)=O)cccc3,0.0
13029,CO-ADD:0218226,11.7,N(/c(cc1)c(C)cc1c2ccc(c(C)c2)\N=C/c3ccccc3O)=C\c4ccccc4O,0.0
13030,CO-ADD:0225337,11.7,c12n(ccn(nc(c3ccc(cc3)F)c4)c14)c(nn2)SCC(=O)NCc5ccccc5,0.0
13031,CO-ADD:0226449,11.7,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4ccc(c(OC)c4)OC,0.0
13032,CO-ADD:0225258,11.7,N12C(C=CC(SC(C)C)=N1)=NN(CC(=O)Nc3ccccc3F)C2=O,0.0
13033,CO-ADD:0226216,11.7,S(=O)(=O)(N(Cc1cccc(C)c1)c2ccc(cc2)OC)c(ccc(n3c4)nn4)c3,0.0
13034,CO-ADD:0226630,11.7,C1(=NN(C2=O)Cc(cc3)ccc3F)N2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
13035,CO-ADD:0229791,11.7,N1(c2cccc(O)c2)C(=O)c(cc3)c(c(c4)C1=O)c(c3C5=O)c(c4)C(N5c6cccc(O)c6)=O,0.0
13036,CO-ADD:0229784,11.7,c1(ccc(\C=N\NC(=O)c2cccc(OC)c2)o1)Sc3ccccn3,0.0
13037,CO-ADD:0231371,11.7,C(=C\c1cc(I)cc(I)c1O)(/C2=O)\Sc(c23)cccc3,0.0
13038,CO-ADD:0233747,11.7,c1([nH]nc(C(CC2)CCN2C(C(CC3)CCN3)=O)c1)C(F)(F)F.Cl,0.0
13039,CO-ADD:0234731,11.7,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3ccco3)=O,0.0
13040,CO-ADD:0220592,11.7,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c3cccc(C)c3,0.0
13041,CO-ADD:0220124,11.7,c1(\C=N\NC(=O)c2ccccc2OC)c3c(cccc3)cc(cccc4)c14,0.0
13042,CO-ADD:0222267,11.7,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O)Br,0.0
13043,CO-ADD:0219112,11.7,c1(N2)c(cc(c(Br)c1Br)Cl)OC2=O,0.0
13044,CO-ADD:0220076,11.7,[N+](=O)([O-])c(cc1Cl)cc(c1NC(=O)c2ccccc2C)Cl,0.0
13045,CO-ADD:0222220,11.7,c(cc(Cl)cc1Cl)(\C=N\c2c(O)ccc(Cl)c2)c1O,0.0
13046,CO-ADD:0222749,11.7,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(cc2)ccc2Br,0.0
13047,CO-ADD:0222720,11.7,C12(\C=N\c(cccc3C(O)=O)c3)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)C)=O)c(cccc7)c27,0.0
13048,CO-ADD:0229174,11.7,c1(c(C)cc(cc1C)C)C(=O)c(cc2)ccc2C(NOC)=O,0.0
13049,CO-ADD:0229309,11.7,C(Cl)(Cl)(Cl)C(c1ccc(c(C)c1)OC)c2ccc(c(C)c2)OC,0.0
13050,CO-ADD:0229294,11.7,C(=N/Nc1ccccc1)(/c2c(N3)cccc2)\C3=O,0.0
13051,CO-ADD:0227799,11.7,c1(NC(C)CCCN(CC)CC)c(ccc(c2)Cl)c2nc(\C=C\c(cc3)ccc3Br)n1,0.0
13052,CO-ADD:0227779,11.7,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)Nc(cc2)ccc2\C(\C)=N\NC(=O)c3ccccc3O,0.0
13053,CO-ADD:0227768,11.69,N(C(O)C(Cl)(Cl)Cl)C(c1ccccc1)=O,0.0
13054,CO-ADD:0236165,11.69,n1c2c(oc1c(cc3)ccn3)ccc(c2)\N=C\c(cc(Br)cc4I)c4O,0.0
13055,CO-ADD:0236738,11.69,c(cc1)ccc1S[C@H](CC2=O)[C@@H](CO3)O[C@H]23,0.0
13056,CO-ADD:0233093,11.69,C(c1c(cccc1)CC23CCCC2)(NC(c4ccccc4)=O)=C3C#N,0.0
13057,CO-ADD:0231045,11.69,C(Oc(cc1)ccc1C(=O)Nc2ccccc2C)(=S)Nc(cc3)ccc3I,0.0
13058,CO-ADD:0230941,11.69,S1(=O)(=O)c2c(C(Nc3cccc(OC)c3)=N1)ccc(c2)[N+](=O)[O-],0.0
13059,CO-ADD:0234829,11.69,[N+](=O)([O-])c1ccc(cc1OC)N(CC2)CCN2,0.0
13060,CO-ADD:0231514,11.69,N1=C(c2ccccc2)S\C(=C\c(cc3Br)cc(c3O)Br)\C1=O,0.0
13061,CO-ADD:0236705,11.69,c1(C(=O)N\N=C\c2cccc(cccc3)c23)c(C)nc(cc(C)cc4)n14,0.0
13062,CO-ADD:0227598,11.69,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C/c(cc(Br)cc4Br)c4O,0.0
13063,CO-ADD:0234944,11.69,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c(cc3)ccc3[N+](=O)[O-])OC)[N+](=O)[O-])[N+](=O)[O-],0.0
13064,CO-ADD:0231110,11.69,C(=O)(Nc(cc1)ccc1CC)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
13065,CO-ADD:0227336,11.69,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(ccc(c3OC)OC)c3,0.0
13066,CO-ADD:0227268,11.69,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc2ccc(cc2Br)Br)=O,0.0
13067,CO-ADD:0227853,11.69,C(=O)(CN1CCCCC1)NN(c2ccccc2)Cc3ccccc3,0.0
13068,CO-ADD:0227840,11.69,c1(nc(c2n1CC(=O)N\N=C\c(cc(Br)cc3[N+](=O)[O-])c3O)cccc2)c4nonc4N,0.0
13069,CO-ADD:0229217,11.69,n1(c2ccccc2)nc(c(\C=N\NC(=O)CN(CC3)CCO3)c1Cl)C,0.0
13070,CO-ADD:0227144,11.68,N1(c2ccc(cc2)F)C(=O)C(C(C1=O)C34C(OC)OC)C(c(c35)cccc5)c(c46)cccc6,0.0
13071,CO-ADD:0221756,11.68,C1(=O)N(C)c(c2N1C)ccc(c2)C(=O)c3ccccc3C,0.0
13072,CO-ADD:0221486,11.68,c1(C(OCC)=O)c(\N=C\c2cc(Cl)ccc2O)scc1c3ccccc3,0.0
13073,CO-ADD:0220962,11.68,C(=N/NC(=O)c1ccc(c2n1)cccc2)(/C3=O)\c(c4)c(N3)c(cc4[N+](=O)[O-])C,0.0
13074,CO-ADD:0221451,11.68,C(COc(cc1)ccc1Br)(=O)Nc(cc2)ccc2C(C)=O,0.0
13075,CO-ADD:0221578,11.68,c1(C(OCC)=O)c(C)c(c(cc(c2o3)c(c3C(OCC)=O)C)o1)c2,0.0
13076,CO-ADD:0221768,11.68,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)NC(C)c2cccc(cccc3)c23,0.0
13077,CO-ADD:0221211,11.68,C(/C#N)(\C(OCC)=O)=C\c1cc(sc1SC)C,0.0
13078,CO-ADD:0220888,11.68,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(cc3)ccc3[N+](=O)[O-],0.0
13079,CO-ADD:0219381,11.68,C(=O)(Nc1cccc(I)c1)C\C(\C)=N\NC(CCCC)=O,0.0
13080,CO-ADD:0218082,11.68,c1(\C(\C)=N\NC(=O)c2ccc(cc2)C)oc(cc1C)C,0.0
13081,CO-ADD:0218090,11.68,N1C(C)(C)CC(CC1(C)C)NC(COc(cc2)ccc2C)=O,0.0
13082,CO-ADD:0218665,11.68,C(=O)(N\N=C\c1cc(Br)ccc1O)C(=O)Nc2ccccc2C,0.0
13083,CO-ADD:0218573,11.68,c1(ccccc1\N=C/c(ccc(c2OC)OC)c2)c3ccccc3\N=C/c(ccc(c4OC)OC)c4,0.0
13084,CO-ADD:0218213,11.68,c1(cc(Br)ccc1O)C(=O)N\N=C\c2ccccc2OC,0.0
13085,CO-ADD:0218790,11.68,C(CCC(=O)N\N=C\c1cccc(Br)c1)(=O)Nc2cccc(Cl)c2,0.0
13086,CO-ADD:0226646,11.68,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4c(C)ccc(Cl)c4,0.0
13087,CO-ADD:0225567,11.68,N12C(C=CC(Sc3ccccc3)=N1)=NN(CC(=O)Nc(cc4)ccc4OC)C2=O,0.0
13088,CO-ADD:0225495,11.68,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5c(C)cccc5C)=O,0.0
13089,CO-ADD:0225615,11.68,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc(cc4)ccc4C(OC)=O)=O,0.0
13090,CO-ADD:0234953,11.68,N1C(=O)\C(\SC1=S)=C/c(cc2)ccc2C,0.0
13091,CO-ADD:0236454,11.68,c1(SCC(=O)Nc2ccc(cn2)Br)oc(c3n1)cccc3,0.0
13092,CO-ADD:0227656,11.68,C1(CC1)(C(C=C2)C(C3C(=O)NCC(C4)(CC(C5)CC6CC45)C6)C(O)=O)C23,0.0
13093,CO-ADD:0236855,11.68,c1(scc(c(ccc(c2[N+](=O)[O-])C)c2)n1)NC(=O)c(cccc3[N+](=O)[O-])c3,0.0
13094,CO-ADD:0236868,11.68,C1(=Cc2c(OC1=O)cccc2)C(=O)N3CCC(CC3)C,0.0
13095,CO-ADD:0233675,11.68,c1(no[n+]2[O-])c2CC\C(=N/O)\C1=O,0.0
13096,CO-ADD:0220613,11.68,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(=O)\C(\NC(c3ccccc3)=O)=C/c4cccs4,0.0
13097,CO-ADD:0220582,11.68,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(CNc3ccccc3C)=O,0.0
13098,CO-ADD:0222609,11.67,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(cc3)ccc3Br)n2)N(CC4)CCO4.Br,0.0
13099,CO-ADD:0219194,11.67,C(=O)(N\N=C\c1ccccc1OCCCCCC)c2ccc(cc2)Br,0.0
13100,CO-ADD:0220680,11.67,c1(c(O)ccc(Cl)c1)NC(COc2ccccc2I)=O,0.0
13101,CO-ADD:0222151,11.67,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)c4ccccc4Cl,0.0
13102,CO-ADD:0220471,11.67,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3N(C)C)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
13103,CO-ADD:0219822,11.67,C(CCCC1)(NC(c2ccccc2)=O)=C1C(C)=O,0.0
13104,CO-ADD:0219108,11.67,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C(/C)\CCCCC,0.0
13105,CO-ADD:0219787,11.67,S(c1ccccc1)(=O)(=O)N(c2ccccc2C)CC(=O)N\N=C\c(ccc(c3OCC)OCCC)c3,0.0
13106,CO-ADD:0219091,11.67,C(=O)(N\N=C\c1ccccc1OC)c2ccc(cc2)OCCCCCCCCCC,0.0
13107,CO-ADD:0229537,11.67,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(cccc3C(O)=O)c3,0.0
13108,CO-ADD:0229482,11.67,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3ccc(cc3C)O,0.0
13109,CO-ADD:0229352,11.67,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c2ccccc2C(F)(F)F)c3c(C)ccc(Cl)c3,0.0
13110,CO-ADD:0229860,11.67,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(OC)=O)=O,0.0
13111,CO-ADD:0229886,11.67,N1(NC(=C(\C=N\CCO)C1=O)C)c(c(F)c2F)c(F)c(c2C(F)(F)F)F,0.0
13112,CO-ADD:0231173,11.67,c1(cccc(cccc2)c12)NC(CCCCCCCCCCCCCCCCCCCCC)=O,0.0
13113,CO-ADD:0234787,11.67,s1c(c2ccccc2)nnc1NC(=O)c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3,0.0
13114,CO-ADD:0232893,11.67,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)Nc3ccc(cc3Cl)Cl,0.0
13115,CO-ADD:0236815,11.67,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,0.0
13116,CO-ADD:0233020,11.66,C1(c2ccc(cc2)\N=C\c(cc3)ccc3[N+](=O)[O-])=Cc4c(OC1=O)cccc4,0.0
13117,CO-ADD:0233159,11.66,C12(CC(CC3C1)CC(C3)C2)c4ccc(cc4)NC(=O)C(c5ccccc5)(c6ccccc6)c7ccccc7,0.0
13118,CO-ADD:0231180,11.66,N1(C(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc(cc3)C)C(N1C(=O)c(cc4)ccc4[N+](=O)[O-])c5ccccc5OCCCCCCC,0.0
13119,CO-ADD:0231355,11.66,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(C(=O)c(cccc4[N+](=O)[O-])c4)c3,0.0
13120,CO-ADD:0231281,11.66,S(=O)(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(OC)=O,0.0
13121,CO-ADD:0236845,11.66,c(c1ccc2C(=O)OCC(=O)c3ccc(cc3)Cl)(c24)N(CC(CC=C5)C45)CC(CC=C6)C16,0.0
13122,CO-ADD:0231509,11.66,c1(oc(c2n1)ccc(c2)\N=C\c3cc(C)cc(Br)c3O)c4ccc(cc4Cl)F,0.0
13123,CO-ADD:0229384,11.66,c1(ccc(\C=N\c(cc2)ccc2c3sc4c(ccc(C)c4)n3)s1)[N+](=O)[O-],0.0
13124,CO-ADD:0233382,11.66,C(=C/c(cc1)ccc1OCCCCCCCCC)(/C(=O)NC(N2)=O)\C2=O,0.0
13125,CO-ADD:0234427,11.66,C1(\N=C\c2c3c(cccc3)cc(cccc4)c24)=C(C)N(N(c5ccccc5)C1=O)C,0.0
13126,CO-ADD:0231593,11.66,n1c2c(oc1c3ccc(cc3)OC)ccc(c2)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
13127,CO-ADD:0227432,11.66,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccn2,0.0
13128,CO-ADD:0231683,11.66,c1(C(=O)N\N=C\c(cc2)ccc2C(O)=O)nn(c(c3ccccc3)n1)c4ccccc4,0.0
13129,CO-ADD:0229255,11.66,N1(CN(C(C)=O)c(ccc(c23)c4c(cccc4)o2)c3)C(=O)c(c5C1=O)cccc5[N+](=O)[O-],0.0
13130,CO-ADD:0227784,11.66,[C@@]1(C#N)(C#N)[C@H](c2cccc(cccc3)c23)[C@H](N4[C@]1([H])C=Cc(c45)cc(cc5)Cl)C(c6ccccc6)=O,0.0
13131,CO-ADD:0219414,11.66,N(=C(/CCC)\c1ccc(cc1)C)/NC(COC2=CCCC2)=O,0.0
13132,CO-ADD:0220207,11.66,N(=C1c(cc2)ccc2C3=N\C(\C(=O)O3)=C/c4c(OCC)ccc(cccc5)c45)\C(\C(O1)=O)=C/c6c(OCC)ccc(cccc7)c67,0.0
13133,CO-ADD:0221675,11.66,C(OCCCCCCCC)(NCCCCCCCCCCNC(OCCCCCCCC)=O)=O,0.0
13134,CO-ADD:0219346,11.66,C(=O)(N\N=C\c(ccc(c1OCC)OCCC)c1)C(=O)NC2CCCCC2,0.0
13135,CO-ADD:0226372,11.66,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(NCCC)=O)=O,0.0
13136,CO-ADD:0226261,11.66,S(=O)(=O)(N(Cc(cc1)ccc1Cl)c2cccc(F)c2)c(ccc3n4c(C)nn3)c4,0.0
13137,CO-ADD:0220335,11.66,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C/c4cc(C)c(cc4O)C,0.0
13138,CO-ADD:0220300,11.66,n1c2c(oc1c3cccc(c3)\N=C\c4cc(C)cc(I)c4O)ccc(C)c2,0.0
13139,CO-ADD:0220923,11.66,c(c(Br)c1Br)c(NCC(=O)N\N=C(/C)\CCC)c(c1)Br,0.0
13140,CO-ADD:0220896,11.66,c1(c(cccc1)c(c23)cccc2)C3C(=O)N\N=C\c(cc4)ccc4OC,0.0
13141,CO-ADD:0220885,11.66,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c3ccccc3O,0.0
13142,CO-ADD:0218246,11.66,[N+](=O)([O-])c(ccc(c1\C=N\c(cc2)ccc2Nc3ccccc3)O)c1,0.0
13143,CO-ADD:0218587,11.66,C(=O)(COc1ccc(cc1Cl)Cl)N2CCCC2,0.0
13144,CO-ADD:0218043,11.65,n1(c2c(n3)cccc2)c3c4c(c(c5C(CC(N6c7ccccc7)c8ccc(cc8)OC)=N6)ccc4)c(cc5)C1=O,0.0
13145,CO-ADD:0218337,11.65,c1(ccccc1O)C(=O)N\N=C(/CCCCC)\c2ccccc2,0.0
13146,CO-ADD:0218345,11.65,C(=C/c(ccc(c1OC)O)c1)(/C2=O)\C(=O)NC(=O)N2,0.0
13147,CO-ADD:0218403,11.65,n1(\N=C\c2ccccc2)nnnc1N,0.0
13148,CO-ADD:0225598,11.65,C1(=NN(C2=O)Cc(cccc3C(F)(F)F)c3)N2C=CC=C1S(=O)(=O)N4CCCCC4,0.0
13149,CO-ADD:0225510,11.65,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc(cc5)ccc5F)=O,0.0
13150,CO-ADD:0218037,11.65,N1(c(cc2)ccc2S(=O)(=O)CCO)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
13151,CO-ADD:0218454,11.65,N(=C\c1cccc(OC)c1)/NC(Cc2ccccc2)=O,0.0
13152,CO-ADD:0217942,11.65,[N+](=O)([O-])c(cc1)ccc1n2cccc2\C=N\CCCC,0.0
13153,CO-ADD:0225552,11.65,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc4c(CC)cccc4C)c2,0.0
13154,CO-ADD:0234474,11.65,C(O)(C(F)F)(CC(=O)c(c12)ccc(cccc3)c13)O2,0.0
13155,CO-ADD:0233478,11.65,[N+](=O)([O-])c(cc1\C=N\NC(COc2ccccc2C)=O)cc(c1OC(c3ccccc3)=O)Br,0.0
13156,CO-ADD:0236252,11.65,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N2CCSC2c3ccc(c(Br)c3)OC,0.0
13157,CO-ADD:0233431,11.65,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c(cc3OC)cc(c3OC)OC,0.0
13158,CO-ADD:0233468,11.65,c(\C=N\c1cc(C)ccc1C)(c(C)c2Cl)c(O)c(c2C)Br,0.0
13159,CO-ADD:0236349,11.65,N1\C(=N/N=C/c(cc2)ccc2OC)\SCC1=O,0.0
13160,CO-ADD:0222610,11.65,S(=O)(=O)(c(cc1)ccc1c2csc(Nc3cccc(cccc4)c34)n2)N5CCCCC5.Br,0.0
13161,CO-ADD:0222597,11.65,C(=O)([O-])\C=C\c(cc1)ccc1OCCCC,0.0
13162,CO-ADD:0221917,11.65,N1(Nc(cc2)ccc2Cl)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
13163,CO-ADD:0220813,11.65,c1(N2CCCCC2)nc(N\N=C\c(cccc3Oc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c3)nc(Nc(cc5)ccc5[N+](=O)[O-])n1,0.0
13164,CO-ADD:0222765,11.65,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)Br)OC(=O)c3ccco3,0.0
13165,CO-ADD:0222711,11.65,C(=O)(N\N=C\c1c(cccc1F)Cl)C(=O)Nc(cccc2C(F)(F)F)c2,0.0
13166,CO-ADD:0220474,11.65,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(cccn2)c2)N3CCCCC3)c1,0.0
13167,CO-ADD:0219832,11.64,C(CCCCC)(=O)Nc(cc1)ccc1OC,0.0
13168,CO-ADD:0219140,11.64,C(=O)(Nc1cccc(F)c1)C(=O)NCc2ccccc2,0.0
13169,CO-ADD:0220899,11.64,c1(\C=N\NC(COc2c(Cl)cc(cc2Cl)Cl)=O)c(Br)cc(c(O)c1Br)Br,0.0
13170,CO-ADD:0220980,11.64,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c3cccc(O)c3,0.0
13171,CO-ADD:0229295,11.64,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c2ccc(cc2)NC(CCC)=O,0.0
13172,CO-ADD:0229510,11.64,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(c(O)ccc3[N+](=O)[O-])c3,0.0
13173,CO-ADD:0227514,11.64,c1(ccc(cc1OC)OC)\C(\C)=N/NC(CNC(=O)c2ccc(c(OC)c2)OC)=O,0.0
13174,CO-ADD:0227959,11.64,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2C(O)=O,0.0
13175,CO-ADD:0229462,11.64,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\NC,0.0
13176,CO-ADD:0229504,11.64,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/NNc(cc3)ccc3C,0.0
13177,CO-ADD:0237094,11.64,CC(C)n1ncc2c(cc(nc12)c3ccccc3)C(=O)NCC(N4CCOCC4)c5cccs5,0.0
13178,CO-ADD:0229533,11.64,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3N\C=C(\C(C)=NN4c5ccc(c(C)c5)C)/C4=O,0.0
13179,CO-ADD:0234469,11.64,N1(C(CC(c(ccc(c2F)OC)c2)=N1)c3ccc(cc3Cl)Cl)c4scc(c(cc5)ccc5c6ccccc6)n4.Br,0.0
13180,CO-ADD:0232825,11.64,c(c(OC)c1)(cc(c1C(c2ccccc2)=O)OC)C(=O)Nc(cc3)ccc3C,0.0
13181,CO-ADD:0229901,11.63,n(c1N)c(O)c2c(ncc(C)n2)n1,0.0
13182,CO-ADD:0233059,11.63,c1(NC(CSCC(O)=O)=O)sc2c(ccc(C)c2)n1,0.0
13183,CO-ADD:0236613,11.63,C1(C#N)(C#N)[C@H](c2ccccc2)[C@H](N3[C@]1([H])C=Cc(c34)cc(cc4)Cl)C(=O)c5ccc(cc5)Cl,0.0
13184,CO-ADD:0233391,11.63,C(=O)(Nc(cc1)ccc1Br)c2ccccc2Br,0.0
13185,CO-ADD:0237011,11.63,OCC(C)(C)[C@@H](O)C(NC(C)CC(NCCCCCCC)=O)=O,0.0
13186,CO-ADD:0231366,11.63,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc(cc3)ccc3I,0.0
13187,CO-ADD:0221071,11.63,c1(c(O)c(\C=N\c(cc2)ccc2c3[nH]c(c4n3)ccc(N)c4)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
13188,CO-ADD:0219453,11.63,C(=O)(NCc1ccccc1)C\C(\C)=N\NC(Cc(cc2)ccc2c3ccccc3)=O,0.0
13189,CO-ADD:0222184,11.63,c1(c2cccc(Br)c2)oc3c(ccc(c3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n1,0.0
13190,CO-ADD:0220212,11.63,n1c2c(oc1c3ccccc3)ccc(c2)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
13191,CO-ADD:0220108,11.63,[N+](=O)([O-])c(ccc(c1NC(=O)c(cc2)ccc2C(=O)Nc(c(OC)ccc3[N+](=O)[O-])c3)OC)c1,0.0
13192,CO-ADD:0219316,11.63,S(CCCCCCCC)(=O)(=O)N\N=C\c1ccccc1[N+](=O)[O-],0.0
13193,CO-ADD:0221180,11.63,c1(\N=C(/C)\N(C)C)n(C)c(c2c1N=Nc(cc3)ccc3Br)cccc2.Cl,0.0
13194,CO-ADD:0222183,11.63,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)c4ccccc4Cl,0.0
13195,CO-ADD:0222473,11.63,N1\C(=N\N=C\c(c(Cl)ccc2[N+](=O)[O-])c2)\S\C(=C/c(c(Cl)ccc3[N+](=O)[O-])c3)\C1=O,0.0
13196,CO-ADD:0220023,11.63,[N+](=O)([O-])c1ccc(c2c1)OCCO2,0.0
13197,CO-ADD:0218788,11.62,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(CC)=O,0.0
13198,CO-ADD:0218572,11.62,N(=C(/C)\c1ccc(cc1)N)/NC(c2ccccc2)=O,0.0
13199,CO-ADD:0218212,11.62,c1(cc(Br)ccc1O)C(=O)N\N=C\c(cc2)ccc2OC,0.0
13200,CO-ADD:0225624,11.62,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccccc4C(F)(F)F)=O,0.0
13201,CO-ADD:0218014,11.62,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(cc4)ccc4OC(=O)c5ccc(cc5)Br,0.0
13202,CO-ADD:0218615,11.62,c(cnn1CC(OCC)=O)(c1)[N+](=O)[O-],0.0
13203,CO-ADD:0218807,11.62,c1(cc(ccc1O)Cc(ccc(c2\C=N\c(cc3)ccc3C)O)c2)\C=N\c(cc4)ccc4C,0.0
13204,CO-ADD:0226736,11.62,N1(c(ccs2)c2C(N3CCc4ccccc4)=O)C3=NN(Cc5cccc(C)c5)C1=O,0.0
13205,CO-ADD:0236151,11.62,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
13206,CO-ADD:0235971,11.62,N1(c(cc2)ccc2C(O)=O)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
13207,CO-ADD:0233533,11.62,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccc(cc2Cl)Cl)=O)c3ccccc3Cl,0.0
13208,CO-ADD:0233341,11.62,c1(OC)c(CCCNCCc2ccccc2)ccc(OC)c1.Cl,0.0
13209,CO-ADD:0234330,11.62,c(cc(Br)cc1Cl)(\C=N\c(ccc(c23)OCCO2)c3)c1O,0.0
13210,CO-ADD:0234306,11.62,c1(c(O)c(\C=N\c2cc(ccc2O)Cc(ccc(c3\N=C\c(c(C)c(Cl)c(c4[N+](=O)[O-])C)c4O)O)c3)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
13211,CO-ADD:0220376,11.62,c1(cc(C)cc(I)c1O)\C=N\c(cc2)ccc2OCC,0.0
13212,CO-ADD:0222542,11.61,c(\C=N\NC(CNC(=O)c1ccco1)=O)(cc(Br)cc2Br)c2O,0.0
13213,CO-ADD:0222298,11.61,c1(Nc(cc2)ccc2[N+](=O)[O-])nc(N\N=C\c(ccc(c3OC)O)c3)nc(NCc4ccccc4)n1,0.0
13214,CO-ADD:0222670,11.61,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)N\N=C\c(cc4)ccc4OC,0.0
13215,CO-ADD:0220738,11.61,S(=O)(=O)(c1ccc(cc1)\N=C\c2ccccc2F)c3ccc(cc3)\N=C\c4cc(Br)ccc4O,0.0
13216,CO-ADD:0220881,11.61,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c3c(O)ccc(cccc4)c34,0.0
13217,CO-ADD:0220851,11.61,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C/c2ccco2,0.0
13218,CO-ADD:0220717,11.61,C(=N\NC(COc1c(Br)cc(cc1Br)C)=O)(/c2c(N3C)cccc2)\C3=O,0.0
13219,CO-ADD:0220275,11.61,c1(O)c(OC)cc(cc1OC)\C=N\NC(CNc(cc2)ccc2C)=O,0.0
13220,CO-ADD:0220270,11.61,C(CNc1cccc(C)c1)(=O)N\N=C\c2ccccc2\C=N\NC(CNc3cccc(C)c3)=O,0.0
13221,CO-ADD:0222322,11.61,c(cc(Cl)cc1Cl)(\C=N\c(cc2)ccc2I)c1O,0.0
13222,CO-ADD:0227711,11.61,N1(c(cc2)ccc2C(O)=O)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
13223,CO-ADD:0227968,11.61,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc2cccc(cccc3)c23)=O,0.0
13224,CO-ADD:0227934,11.61,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c(cc(Br)cc4Br)c4O,0.0
13225,CO-ADD:0227491,11.61,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)ccc4OC(c5ccccc5)=O,0.0
13226,CO-ADD:0227443,11.61,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(CNc(ccc(c34)cccc3)c4)=O,0.0
13227,CO-ADD:0227710,11.61,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
13228,CO-ADD:0233001,11.61,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2C)N3CCNC(C)C3,0.0
13229,CO-ADD:0232981,11.61,C1(=O)c2c(CN1CC\N=C\c(ccc(c3OCC)O)c3)cccc2,0.0
13230,CO-ADD:0229865,11.61,N1(C(c2ccc(cc2)OC)CC(c3ccc(cc3)OC)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N(CC)CC)n4,0.0
13231,CO-ADD:0227694,11.61,c1(NC(OC)=O)[nH]c(c(c2)n1)cc(c2Oc3ccc(c4c3Br)cccc4)Cl,0.0
13232,CO-ADD:0229006,11.61,S(c1ccccc1)(=O)(=O)Nc2ccccn2,0.0
13233,CO-ADD:0236901,11.61,C(=O)(C(NCCOc1ccccc1)=O)NC(C)c2ccccc2,0.0
13234,CO-ADD:0236894,11.61,C(=O)(Nc(cc1)ccc1N(C)C)C(NCCOc2ccccc2)=O,0.0
13235,CO-ADD:0221055,11.6,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2cccc(Br)c2,0.0
13236,CO-ADD:0220263,11.6,C(=N/NC(COc(cccc1[N+](=O)[O-])c1)=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
13237,CO-ADD:0222326,11.6,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3Cl)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
13238,CO-ADD:0221642,11.6,C(NCCCCCCCCCCNC(=O)Nc1ccc(cc1Br)Br)(=O)Nc2ccc(cc2Br)Br,0.0
13239,CO-ADD:0220325,11.6,c1(c(cccn2)c2)oc(c3n1)ccc(c3)\N=C\c4cc(C)c(cc4O)C,0.0
13240,CO-ADD:0221595,11.6,c1(NC(CSc2nc(C)cc(C)n2)=O)sc(c(ccc3C(OC)=O)n1)c3,0.0
13241,CO-ADD:0222436,11.6,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(ccc(n2)C)c2)c3cccc(Br)c3,0.0
13242,CO-ADD:0222378,11.6,c1(Nc(cc2)ccc2[N+](=O)[O-])nc(N\N=C/c3ccccc3[N+](=O)[O-])nc(NCc4ccccc4)n1,0.0
13243,CO-ADD:0222379,11.6,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c(ccc(c2Cl)F)c2,0.0
13244,CO-ADD:0226027,11.6,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc(cccc4C(F)(F)F)c4)=O,0.0
13245,CO-ADD:0218648,11.6,C(=O)(Nc(cc1)ccc1F)C\C(\C)=N\NC(=O)c2ccc(cc2)Br,0.0
13246,CO-ADD:0218696,11.6,C(=O)(Nc(cc1)ccc1F)C\C(\C)=N\NC(COc2ccc(cc2Br)Br)=O,0.0
13247,CO-ADD:0218123,11.6,C(F)(F)(F)c1ccccc1NC(CSc2ccccn2)=O,0.0
13248,CO-ADD:0218247,11.6,c1(cc(Cl)ccc1O)\C=N\c(cccc2NC(C)=O)c2,0.0
13249,CO-ADD:0218370,11.6,c(cc(C(O)=O)cc1[N+](=O)[O-])([N+](=O)[O-])c1NCCC#N,0.0
13250,CO-ADD:0218731,11.6,C(=O)(c(ccnc1Cl)c1)NC(C)Cc2ccccc2,0.0
13251,CO-ADD:0226744,11.6,N1(c(ccs2)c2C(N3Cc4ccccc4OC)=O)C3=NN(Cc5cccc(Br)c5)C1=O,0.0
13252,CO-ADD:0226752,11.6,c12n(ccn(nc(c3ccc(cc3)C)c4)c14)c(nn2)SCC(=O)Nc5cccc(Cl)c5C,0.0
13253,CO-ADD:0217880,11.6,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)nc(C)cc(C)n1,0.0
13254,CO-ADD:0166729,11.6,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c(ccs3)c3,0.0
13255,CO-ADD:0165986,11.6,C(=O)(Nc(cc1)ccc1C(N)=O)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
13256,CO-ADD:0236497,11.6,C1(CC1)(C23)C(C=C2)C(C3C4=O)C(N4CCO)=O,0.0
13257,CO-ADD:0236905,11.6,c1(nonc1N)\C(\N(C)C)=N\OC(=O)c2ccc(cc2)C,0.0
13258,CO-ADD:0236323,11.6,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCc(cc3)ccn3)c4ccccc4,0.0
13259,CO-ADD:0236135,11.6,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
13260,CO-ADD:0236029,11.59,c1(NC(COC(=O)C(CCSC)NC(c2ccccc2)=O)=O)sc(c3c1C(OCC)=O)CCC3,0.0
13261,CO-ADD:0236428,11.59,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
13262,CO-ADD:0221859,11.59,N1(CNc(cc2)ccc2c3ccccc3)C(=O)\C(\SC1=O)=C/c(ccc(c4Cl)Cl)c4,0.0
13263,CO-ADD:0219433,11.59,c1(C)c(cccc1NC(CCC(=O)N\N=C\c(ccc(c2OC)OC)c2)=O)Cl,0.0
13264,CO-ADD:0220413,11.59,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
13265,CO-ADD:0220799,11.59,c1(ccccc1NC(c2ccccc2)=O)C(OCCCCCCCCCCC)=O,0.0
13266,CO-ADD:0220791,11.59,c1(\C=N\NC(CNc2ccccc2C)=O)cc(Cl)ccc1O,0.0
13267,CO-ADD:0222727,11.59,N1(c2cccc(cccc3)c23)C(=O)C(C(C1=O)C45\C=N\c6ccccc6C(O)=O)C(c(c47)cccc7)c(c58)cccc8,0.0
13268,CO-ADD:0219756,11.59,C(=O)(c1ccc(cc1)Cl)Oc2ccccc2\C=N\NC(=O)c3cccc(C)c3,0.0
13269,CO-ADD:0219489,11.59,c1(O)c(Br)c(\C=N/NC(=O)c2ccc(cc2)OC)cc(Br)c1O,0.0
13270,CO-ADD:0220931,11.59,C(COc(ccc(c12)cccc1)c2)(=O)N\N=C\c3ccccc3OCC(O)=O,0.0
13271,CO-ADD:0219605,11.58,[N+](=O)([O-])c(cc(N)cc1C(=O)N\N=C(/C)\CC(=O)Nc2ccccc2Cl)c1,0.0
13272,CO-ADD:0222450,11.58,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)C(O)c2ccccc2)c3cccc(F)c3,0.0
13273,CO-ADD:0229441,11.58,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c2cccc(I)c2)c3ccccc3Br,0.0
13274,CO-ADD:0227939,11.58,c(c(Br)c1Br)c(NCC(=O)N\N=C(\CCCCC2)/C2)c(c1)Br,0.0
13275,CO-ADD:0229268,11.58,[N+](=O)([O-])c1ccc(cc1NCC(C)O)Cl,0.0
13276,CO-ADD:0231801,11.58,c(\C=N\NC(COc1ccc(cc1Br)OC)=O)(c(cccc2)c2n3C)c3,0.0
13277,CO-ADD:0227508,11.58,C(COc1cccc(Cl)c1)(=O)N\N=C/c(cc2)ccc2OC(=O)\C=C\c3ccco3,0.0
13278,CO-ADD:0227483,11.58,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N/NC(=O)\C(=C/c(ccc(c34)OCO3)c4)\NC(c5ccccc5)=O)o2,0.0
13279,CO-ADD:0234555,11.58,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(COc(cc3)ccc3Cl)=O)o2)c1,0.0
13280,CO-ADD:0236600,11.58,C(C#N)(C1c(cc2)ccc2N3CCCC3)=C(N)OC(CCCC4=O)=C14,0.0
13281,CO-ADD:0236174,11.58,N1(c2ccc(cc2)OCCCCCC)C(=O)C(CC1=O)S\C(\NCC)=N/CC,0.0
13282,CO-ADD:0232842,11.58,S1(=O)(=O)c(cccc2)c2C(=O)N1CCC(OCC)=O,0.0
13283,CO-ADD:0232827,11.58,c1(cc(Br)cc(Br)c1O)C(=O)CSC(=S)N2CCCCC2,0.0
13284,CO-ADD:0229768,11.58,c1(NC(=O)C2=Cc3c(OC2=O)cccc3)sc(c(C)c1C(OCC)=O)C,0.0
13285,CO-ADD:0236342,11.58,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCCC)C2c3ccco3,0.0
13286,CO-ADD:0236335,11.58,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3ccco3)C2c4ccccc4OC,0.0
13287,CO-ADD:0225389,11.58,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc5ccc(cc5Cl)C,0.0
13288,CO-ADD:0226910,11.58,n(c1c(cccc1)nc2SCC(=O)Nc3ccccc3C(OCC)=O)(c(C(C)C)nn4)c24,0.0
13289,CO-ADD:0221669,11.58,C(=O)(O\N=C(/C)\C)Nc(cc1)ccc1I,0.0
13290,CO-ADD:0221325,11.58,C(=O)(c1c(cccc1F)F)N(c2c(C)cccc2C)Cc3c(cccc3F)F,0.0
13291,CO-ADD:0221470,11.58,S(=O)(=O)(Nc1cccc(C)c1)c2cccc3c2cccc3S(=O)(=O)Nc4cccc(C)c4,0.0
13292,CO-ADD:0219067,11.58,C(=O)(C\C(\C)=N/NC(C)=O)Nc1cccc(Cl)c1C,0.0
13293,CO-ADD:0221693,11.57,C(c1ccccc1)(c2ccccc2)(c3ccccc3)NC(=O)Nc4c(Cl)cc(c(F)c4)F,0.0
13294,CO-ADD:0221664,11.57,c1(ccccc1N(C)C)C(=O)\C=C/c2ccccc2,0.0
13295,CO-ADD:0226067,11.57,C1(=N2)N(C=CN=C1N(C)CCC)C(N2CC(=O)Nc(cccc3C(C)=O)c3)=O,0.0
13296,CO-ADD:0226028,11.57,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc(ccc(c4F)C)c4)=O,0.0
13297,CO-ADD:0226084,11.57,S(=O)(=O)(N(Cc1cccc(F)c1)c2cccc(C)c2)c3cccn(c(nn4)C)c34,0.0
13298,CO-ADD:0226100,11.57,S(=O)(=O)(N(Cc(ccc(c1F)OC)c1)c2ccc(cc2)F)c3cccn(cnn4)c34,0.0
13299,CO-ADD:0218768,11.57,C(CCC(=O)N\N=C\c(cc1)ccc1Br)(=O)Nc2cccc(Cl)c2,0.0
13300,CO-ADD:0218792,11.57,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(C(C)C)=O,0.0
13301,CO-ADD:0218312,11.57,c(cc(I)cc1I)(\C=N\c2ccccc2I)c1O,0.0
13302,CO-ADD:0165925,11.57,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccc(cc2)C)Cc3cccc(cccc4)c34,0.0
13303,CO-ADD:0165950,11.57,C(=O)(N(C(C)C)C(C)C)C\C(\C)=N/NC(=O)c1ccc(cc1)C,0.0
13304,CO-ADD:0166095,11.57,c(\C=N\NC(=O)Cc1cccc(cccc2)c12)(cc(OCO3)c3c4)c4Br,0.0
13305,CO-ADD:0165959,11.57,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C/c(ccc(c2OC)OCC=C)c2,0.0
13306,CO-ADD:0166278,11.57,C(=O)(Nc(cc1)ccc1CC)c2cccs2,0.0
13307,CO-ADD:0166766,11.57,N1(CC(O)=O)C(=O)c(cc2)c(c(ccc3[N+](=O)[O-])C1=O)c3c2[N+](=O)[O-],0.0
13308,CO-ADD:0236420,11.57,C(=O)(c1cccc(Cl)c1)Oc2cccc(cccn3)c23,0.0
13309,CO-ADD:0229759,11.57,N1(c(cc(cc2N3C(=O)c(c4C3=O)ccc(C(O)=O)c4)C(=O)Nc(cc5)ccc5\C=C\C(c6ccccc6)=O)c2)C(=O)c(c7C1=O)ccc(C(O)=O)c7,0.0
13310,CO-ADD:0233593,11.57,C(OCC(C)C)(=O)Nc1ccccc1,0.0
13311,CO-ADD:0234345,11.57,N(Cc1ccco1)(c2ccc(cn2)Cl)C(=O)C(F)(F)F,0.0
13312,CO-ADD:0236279,11.57,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c3cc(Br)ccc3OC)\C1=O)=O,0.0
13313,CO-ADD:0234774,11.57,C(C(c1ccccc1)=O)(C2c3ccccc3Cl)=C(c4ccccc4)OC2(C)\N=C(/C(c5ccccc5)=O)\C(c6ccccc6)=O,0.0
13314,CO-ADD:0222028,11.57,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccccc2C)=O)c3cccc(Br)c3,0.0
13315,CO-ADD:0220838,11.57,c(Nc1ccccc1)(nc(N\N=C\c(c2)c(O)c(cc2[N+](=O)[O-])Br)nc3Nc(cc4)ccc4OC)n3,0.0
13316,CO-ADD:0222435,11.57,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(c(cc3)ccn3)=O,0.0
13317,CO-ADD:0220705,11.57,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3F)nc(Nc(cc4)ccc4C)n1,0.0
13318,CO-ADD:0222659,11.57,N1(c(cc2)ccc2C(C)=O)C(=O)C(C(C34)C1=O)C(CC3=O)c(c45)cccc5,0.0
13319,CO-ADD:0222626,11.57,N1(NC(=O)c(ccc(c2C3=O)C(N3c4ccc(cc4)Oc(cc5)ccc5N6C(=O)c(c7C6=O)ccc(c7)C(=O)NN8C(=O)c(c9C8=O)cccc9)=O)c2)C(=O)c(c%10C1=O)cccc%10,0.0
13320,CO-ADD:0219813,11.57,C(=O)(N\N=C\c1cc(Br)ccc1OCC)c2cccc(Br)c2,0.0
13321,CO-ADD:0220087,11.56,N1(CNc2ccccc2)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
13322,CO-ADD:0220261,11.56,c1(O)c(I)cc(cc1I)\C=N\NC(CNc(cc2)ccc2C)=O,0.0
13323,CO-ADD:0219137,11.56,c1(C)c(cccc1NC(CCC(=O)N\N=C\c(cc2)ccc2OC)=O)Cl,0.0
13324,CO-ADD:0219814,11.56,C1(C(=O)Oc2cccc(cccc3)c23)C4C1CCCC4,0.0
13325,CO-ADD:0219982,11.56,C(=O)(c1cccc(I)c1)NC(C)c2ccccc2,0.0
13326,CO-ADD:0227751,11.56,C1([N+](=O)[O-])=C(NCCCN(CC2)CCN2C)c3c(cccc3)OC1=O,0.0
13327,CO-ADD:0227462,11.56,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cccc3Oc4ccccc4)c3,0.0
13328,CO-ADD:0227164,11.56,[N+](=O)([O-])c1ccccc1NC(=O)c2ccc(cc2)NC(CCCCCCCCC)=O,0.0
13329,CO-ADD:0227219,11.56,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N/NC(CNC(=O)c2ccccc2Br)=O)Br,0.0
13330,CO-ADD:0227592,11.56,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C/c(cccc4[N+](=O)[O-])c4O,0.0
13331,CO-ADD:0229406,11.56,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/C)\C(C)(C)C(C(OCC)=O)C(OCC)=O)[N+](=O)[O-],0.0
13332,CO-ADD:0231390,11.56,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])OC,0.0
13333,CO-ADD:0231052,11.56,[N+](=O)([O-])c1ccc(cc1)NC(Oc(cc2)ccc2C(=O)Nc(cc3)ccc3Br)=S,0.0
13334,CO-ADD:0236879,11.56,C1(=Cc2c(OC1=O)ccc(Br)c2)c3csc(Nc(cc4)ccc4C)n3,0.0
13335,CO-ADD:0234201,11.56,n1c2c(oc1c3cccc(c3)\N=C\c(cc(Cl)cc4[N+](=O)[O-])c4O)cccc2C,0.0
13337,CO-ADD:0234932,11.55,c1(OCC(=O)N\N=C\C(\C)=C\c2ccccc2)c(Br)cc(cc1Br)OC,0.0
13338,CO-ADD:0229935,11.55,c12c(ccc(C=O)c1)noc2c3ccccc3,0.0
13339,CO-ADD:0233693,11.55,n1nc(oc1C(CC2)CCN2C(=O)c(cccn3)c3)C,0.0
13340,CO-ADD:0226918,11.55,n(c1c(cccc1)nc2SCC(=O)Nc3c(C)ccc(Cl)c3)(c(C(C)C)nn4)c24,0.0
13341,CO-ADD:0225355,11.55,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc(cc5)ccc5F,0.0
13342,CO-ADD:0225824,11.55,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)Nc4cccc(C)c4)=O,0.0
13343,CO-ADD:0225363,11.55,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)NCc(cc5)ccc5OC,0.0
13344,CO-ADD:0225371,11.55,c12n(ccn(nc(c3ccccc3)c4)c14)c(nn2)SCC(=O)NCc5ccccc5Cl,0.0
13345,CO-ADD:0221341,11.55,C(=O)(Nc(cc1)ccc1OC)C(NCCc(cc2)ccc2F)=O,0.0
13346,CO-ADD:0221568,11.55,C1(C(=O)Nc(cc2)ccc2OC)CC13CCC3,0.0
13347,CO-ADD:0221256,11.55,N1C(=O)C(SC1=N)CC(=O)Nc(cc2)ccc2C,0.0
13348,CO-ADD:0221667,11.55,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3ccccc3I,0.0
13349,CO-ADD:0221673,11.55,C(OCCF)(NCCCCCCNC(OCCF)=O)=O,0.0
13350,CO-ADD:0221780,11.55,C(=O)(Nc(cc1)ccc1C(OCCCCCCC)=O)Nc2cccc(cccc3)c23,0.0
13351,CO-ADD:0226582,11.55,c12n(C=CN(c3ccc(c(C)c3)C)C1=O)c(nn2)SCC(=O)Nc4ccc(cc4Cl)C,0.0
13352,CO-ADD:0225446,11.55,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5cc(C)ccc5OC)=O,0.0
13353,CO-ADD:0226830,11.55,c12n(cnn1)c3c(cccc3)nc2SCC(=O)Nc(c(Cl)ccc4C(F)(F)F)c4,0.0
13354,CO-ADD:0225966,11.55,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4onc(c5ccccc5C)n4)C2=O,0.0
13355,CO-ADD:0166682,11.55,C(C#N)(C1c2ccc(cc2)C#N)=C(N)OC(C)=C1C(C)=O,0.0
13356,CO-ADD:0166371,11.55,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)NC(C)=O)Nc2ccc(cc2OC)OC,0.0
13357,CO-ADD:0166250,11.54,C(=O)(NNC(CCc(cc1C(C)(C)C)cc(c1O)C(C)(C)C)=O)C(=O)NNC(CCc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)=O,0.0
13358,CO-ADD:0166352,11.54,C(=O)(N\N=C\c(cc1)ccc1C)C(=O)Nc(cc2)ccc2CC,0.0
13359,CO-ADD:0233584,11.54,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)ccc4OC(=O)c5cccc(F)c5,0.0
13360,CO-ADD:0228989,11.54,C(=O)(N\N=C\c1cccc(OC)c1)c2cccc(Cl)c2,0.0
13361,CO-ADD:0229003,11.54,C(=O)(c1ccc(cc1)O)Nc(cc2)ccc2C,0.0
13362,CO-ADD:0236343,11.54,c1(C#N)c(SCC(N)=O)nsc1SCC(N)=O,0.0
13363,CO-ADD:0236887,11.54,C(=O)(Nc(cc1)ccc1OCCCCC)C2CC=CCC2C(O)=O,0.0
13364,CO-ADD:0231581,11.54,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2C)N(CC3)CCO3,0.0
13365,CO-ADD:0221831,11.54,c1(C#N)c(C)cc(nc1SCC(OCc2ccccc2)=O)C,0.0
13366,CO-ADD:0220096,11.54,C1(N(c2ccc(cc2)C)CCN1c3ccc(cc3)C)c4cc(Br)ccc4OC,0.0
13367,CO-ADD:0219479,11.54,C(=O)(N\N=C\c1ccccc1OCc2ccccc2)C(=O)Nc3ccc(cc3C)Cl,0.0
13368,CO-ADD:0222578,11.54,[N+](=O)([O-])c1cccc(c1)\C=N\c(c2)cc3c(cccc3)n2,0.0
13369,CO-ADD:0222527,11.54,c1(\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
13370,CO-ADD:0222174,11.54,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(=O)Cc3ccc(c(cccc4)c34)Br,0.0
13371,CO-ADD:0219262,11.54,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c2cccc(Cl)c2)c1,0.0
13372,CO-ADD:0220045,11.54,N(/c(cc1)ccc1c2ccc(cc2)\N=C\c(cc3)ccc3Cl)=C\c(cc4)ccc4Cl,0.0
13373,CO-ADD:0229269,11.54,n1(c(C)cc(C)n1)c2cc(Cl)ccc2[N+](=O)[O-],0.0
13374,CO-ADD:0229656,11.54,C(COc(cc1)ccc1F)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
13375,CO-ADD:0227591,11.54,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C/c3cc(I)ccc3O,0.0
13376,CO-ADD:0227579,11.54,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N/NC(COc3ccc(cc3Br)Cl)=O,0.0
13377,CO-ADD:0229307,11.54,N1(CCc(ccc(c2OC)OC)c2)C(=O)CN(CC1=O)Cc3ccccc3,0.0
13378,CO-ADD:0229279,11.54,N1(c2ccc(cc2)OC(C)=O)C(=O)CC(N(CC3)CCN3Cc4ccccc4)C1=O,0.0
13379,CO-ADD:0227695,11.54,S(=O)(=O)(c1ccc(cc1)C)Nc2ccc(cc2C(=O)Nc(cc3)cc(c3Oc4ccc(c5c4Cl)cccc5)Cl)Cl,0.0
13380,CO-ADD:0228983,11.54,C(=O)(c1ccc(cc1)Br)Nc2cccc(F)c2,0.0
13381,CO-ADD:0227652,11.54,C1(C2=O)C(C(C=C3)OC13CNC(=O)c4ccc(cc4Cl)Cl)C(N2c(cc5)ccc5[N+](=O)[O-])=O,0.0
13382,CO-ADD:0234341,11.54,c12c(ncnc1N)n(cn2)CCCl,0.0
13383,CO-ADD:0234448,11.54,P(=O)(Oc1cccc(OC)c1)(Oc2cccc(OC)c2)N\N=C\c3ccccc3O,0.0
13384,CO-ADD:0234885,11.54,c1(c(Br)cc(cc1\C=N\NC(COc(ccc(c2C)C)c2)=O)Br)OC(=O)c3cccc(Br)c3,0.0
13385,CO-ADD:0225403,11.54,c12n(ccn(c(nn3)CCC(=O)N(CC4)CCN4c5ccccc5F)c13)nc(c6ccc(c(C)c6)C)c2,0.0
13386,CO-ADD:0226124,11.54,S(=O)(=O)(N(Cc(cc1)ccc1Cl)c(cc2)ccc2C(C)C)c3cccn(cnn4)c34,0.0
13387,CO-ADD:0226132,11.53,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(c(C)c2)C)c3cccn(c(nn4)CC)c34,0.0
13388,CO-ADD:0226217,11.53,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(cc2)OC)c(ccc(n3c4)nn4)c3,0.0
13389,CO-ADD:0221682,11.53,[N+](=O)([O-])c1ccc(c(\C=N\NC(=O)Cc2cccc(cccc3)c23)c1)C,0.0
13390,CO-ADD:0221613,11.53,C(=O)(N\N=C/c1ccccc1OCc(cc2)ccc2Cl)c(cccn3)c3,0.0
13391,CO-ADD:0221380,11.53,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c(ccc2c(cccc3C(O)=O)c3)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
13392,CO-ADD:0221572,11.53,C1(C#N)(C(OCC)=O)C(c2cccc(I)c2)C(N(C=C3C(N)=O)C1C=C3)C(N)=O,0.0
13393,CO-ADD:0221729,11.53,c1(c(C2)ccc(OC)c1)\C(\CC2)=N/NC(=O)Cc3cccc(cccc4)c34,0.0
13394,CO-ADD:0221081,11.53,n1(c2ccccc2)nc(c(\C=N\NC(COc3ccc(cc3OC)Br)=O)c1Cl)C,0.0
13395,CO-ADD:0226838,11.53,C1(=N2)N(c3c(cccc3)N=C1Oc4ccccc4C)C(N2CC(=O)Nc(cccc5C(F)(F)F)c5)=O,0.0
13396,CO-ADD:0226006,11.53,C1(=N2)N(C=CN=C1N3CCCCC3)C(N2CC(=O)Nc(cc4)ccc4C(C)C)=O,0.0
13397,CO-ADD:0218717,11.53,C(=C/c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\C(\C)=C\c3ccccc3,0.0
13398,CO-ADD:0218725,11.53,N(=C\c(cc1)ccc1F)/NC(CCC(=O)Nc(cc2)ccc2OC)=O,0.0
13399,CO-ADD:0218277,11.53,N(=C\c(cc1)ccc1Br)/NC(CCC(=O)Nc(cc2)ccc2I)=O,0.0
13400,CO-ADD:0217907,11.53,S(N)(=O)(=O)c1ccc(cc1)NC(=O)c(cccc2[N+](=O)[O-])c2,0.0
13401,CO-ADD:0217931,11.53,c(N)(c1c2cccc1)c3c(n2)CCC3,0.0
13402,CO-ADD:0234376,11.53,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2c3cnc(c4n3)cccc4,0.0
13403,CO-ADD:0236109,11.52,c12c(C(Nc(ccc(C)c3)c13)(C)C)s[s+]c2SC(CCC)=O.[Cl-],0.0
13404,CO-ADD:0231584,11.52,N1(c2c(C)ccc(c2)[N+](=O)[O-])C(=O)C(C3C1=O)C(C=C4)C5(C34)CC5,0.0
13405,CO-ADD:0234065,11.52,c1(ccccc1Cl)C(=O)N\N=C(\CCCC2)/C2,0.0
13406,CO-ADD:0233327,11.52,C(=O)(Cc1ccccc1)c2ccc(cc2)OC,0.0
13407,CO-ADD:0219251,11.52,c1(c(OCC)ccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
13408,CO-ADD:0219179,11.52,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(NCCOCc2ccccc2)=O)c1,0.0
13409,CO-ADD:0222485,11.52,C(=O)(Oc1cccc(c1)C=O)c2cccc(Br)c2,0.0
13410,CO-ADD:0222848,11.52,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)Oc(cc2)ccc2\C=N\CCc3ccccc3,0.0
13411,CO-ADD:0219344,11.52,C(CCC(=O)NCc1ccccc1)(=O)Nc(ccc(c2C)C)c2,0.0
13412,CO-ADD:0222628,11.52,C(=O)(Oc(cc1)ccc1C=O)\C=C\c(cc2)ccc2Br,0.0
13413,CO-ADD:0218965,11.52,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/C)\N(CC2)CCO2)[N+](=O)[O-],0.0
13414,CO-ADD:0219713,11.52,C(=O)(Nc1ccccc1C(=O)N\N=C\c2ccccc2I)c3ccccc3Br,0.0
13415,CO-ADD:0220848,11.52,C(/C1)(\C(C)=CCC1C(C)=C)=N\NC(CNc2c(Br)cc(c(Br)c2)Br)=O,0.0
13416,CO-ADD:0222444,11.52,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2ccccc2Cl)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
13417,CO-ADD:0221984,11.52,c1(cc(\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)cc(OC)c1O)[N+](=O)[O-],0.0
13418,CO-ADD:0221948,11.51,c1(cccc(cccc2)c12)C(NCCOc(cc3)ccc3F)=O,0.0
13419,CO-ADD:0231790,11.51,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2cccc(C)c2)=O)N(CC(C)C)CC(C)C)c1,0.0
13420,CO-ADD:0231273,11.51,S(=O)(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(=O)c3ccccc3O,0.0
13421,CO-ADD:0231266,11.51,C(=O)(C(c1ccccc1)c2ccccc2)Nc3ccc(cc3Br)Br,0.0
13422,CO-ADD:0231208,11.51,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NCC(=O)NCC(=O)NCc2ccccc2,0.0
13423,CO-ADD:0227604,11.51,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C/c(ccc(c4Br)OC)c4,0.0
13424,CO-ADD:0229474,11.51,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3C(O)=O)Cl)c3,0.0
13425,CO-ADD:0231096,11.51,N(c(ccc(c1)Cl)c12)=C(c3ccccc3)OC2=O,0.0
13426,CO-ADD:0227894,11.51,N1(c2ccc(cc2)CC)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
13427,CO-ADD:0232988,11.51,c1(ccc(cc1Cl)Cl)C(=O)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3Cl,0.0
13428,CO-ADD:0236231,11.51,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCc3ccccc3Cl)c4ccccc4,0.0
13429,CO-ADD:0232836,11.51,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)Nc(cc3)ccc3F,0.0
13430,CO-ADD:0234361,11.51,C12(CC(CC(C3)C1)CC3C2)C(=O)CSc4c(ccc(c(cccn5)c5)n4)C#N,0.0
13431,CO-ADD:0236119,11.51,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c(cc3)ccc3OC)c4nonc4N,0.0
13432,CO-ADD:0231573,11.51,c1(cc(Cl)cc(Cl)c1O)C2N(CCN2Cc3ccccc3)Cc4ccccc4,0.0
13433,CO-ADD:0236376,11.51,C(=N/O)(/Nc(ccc(c1C)C)c1)\C(=N\O)\Nc(ccc(c2C)C)c2,0.0
13434,CO-ADD:0233611,11.51,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)C(Cl)(F)F)C(F)(F)C(F)(F)C(F)(F)C(NCCCCCCCCCCC)=O,0.0
13435,CO-ADD:0234481,11.51,N1=C(c2ccccc2)OC(=O)C=C1c3ccccc3,0.0
13436,CO-ADD:0225849,11.51,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)N(CC4)CCN4c5ccccc5)=O,0.0
13437,CO-ADD:0226249,11.51,S(=O)(=O)(N(c1cccc(F)c1)Cc2ccccc2C)c(ccc(n3c4)nn4)c3,0.0
13438,CO-ADD:0225873,11.51,C1(=N2)N(C=CN=C1SCc3ccccc3)C(N2CC(=O)NC4CCCC4)=O,0.0
13439,CO-ADD:0226166,11.51,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(cc2)CC)c3cccn(c(nn4)C)c34,0.0
13440,CO-ADD:0221254,11.51,N1(c(cc2)ccc2C(O)=O)C(=O)CC(N(CC3)CCN3c4ncccn4)C1=O,0.0
13441,CO-ADD:0221271,11.5,C(=O)(C1CCCCC1C(O)=O)Nc2ccccc2C(O)=O,0.0
13442,CO-ADD:0221347,11.5,c1(c(N)cc(n2)C)c2ccc(OC)c1,0.0
13443,CO-ADD:0221627,11.5,c1(c(NCCNCC)ccc(c1)[N+](=O)[O-])[N+](=O)[O-].Cl,0.0
13444,CO-ADD:0221213,11.5,c1(\C=N\C2CCCCC2)cc(sc1S[Cu])CC,0.0
13445,CO-ADD:0219009,11.5,c1(C(=O)N\N=C\c(cc2)ccc2OC)c(O)cc(c3c1)cccc3,0.0
13446,CO-ADD:0161751,11.5,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C/c2c(O)ccc(cccc3)c23)nc4Nc5ccccc5)n4,0.0
13447,CO-ADD:0161176,11.5,c(\C=N\NC(CNC(=O)c1cccc(F)c1)=O)(c(cccc2)c2n3C)c3,0.0
13448,CO-ADD:0162953,11.5,N1(c2c(C)ccc(I)c2)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
13449,CO-ADD:0156221,11.5,N#CC1=CC(C2=C3C=CC=C2)=C(C=C3)OC1=N,0.0
13450,CO-ADD:0156218,11.5,O=C1C2=NNC3=NC=NN3C2=CC(C)(C)C1,0.0
13451,CO-ADD:0154988,11.5,N#CC(C(C(F)(F)F)=C1)=C(SCC(C2=C(C)C=C(C)C=C2)=O)N=C1C3=CC=CS3,0.0
13452,CO-ADD:0155924,11.5,[O-][N+](C1=CC(Cl)=C(C=C1)C2=CC=C(/C=N/NC(NC3=CC=CC=C3)=O)O2)=O,0.0
13453,CO-ADD:0155932,11.5,N#C/C(C1=NC2=CC=CC=C2N1)=C\C3=CC=C(C4=CC(C)=CC([N+]([O-])=O)=C4C)O3,0.0
13454,CO-ADD:0155095,11.5,N#CC([C@H](C1=CC=C(OC)C=C1)[C@H]2C(C)=O)(C#N)[C@]3([H])N2C(C=CC=C4)=C4C=C3,0.0
13455,CO-ADD:0155929,11.5,BrC1=CC(C)=C(C(C)=C1)/N=C/C2=C(C(C)(C)C)N=NN2,0.0
13456,CO-ADD:0155089,11.5,N#CC([C@H](C(C=CC=C1)=C1I)[C@H]2C(C3=CC=CC=C3)=O)(C#N)[C@]4([H])N2C(C=C5)=C(C6=C5C=CC=C6)C=C4,0.0
13457,CO-ADD:0163711,11.5,C(F)(F)(F)c(ccc(c1\N=C\c2cc(Br)ccc2O)Cl)c1,0.0
13458,CO-ADD:0163383,11.5,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(CNC(=O)c3cccc(F)c3)=O)o1,0.0
13459,CO-ADD:0163748,11.49,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3ccccc3CC)c1,0.0
13460,CO-ADD:0162795,11.49,N(c1ccccc1Br)C(CCC(=O)N\N=C\c2ccccc2OC)=O,0.0
13461,CO-ADD:0154529,11.49,O=C(N/N=C(C)/C1CC1)C2=CC3=C(N2CC4=CC=CC=C4)C=CC=C3,0.0
13462,CO-ADD:0154524,11.49,NC(NNCC1=CC=C(C)C=C1)=O.Cl,0.0
13463,CO-ADD:0161990,11.49,C(n(c1)ncn1)(C2c3ccc(cc3Cl)Cl)=C(c4ccccc4)OC(N)=C2C#N,0.0
13464,CO-ADD:0161726,11.49,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C\c(cc(Cl)cc4I)c4O,0.0
13465,CO-ADD:0161406,11.49,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNc2cccc(cccc3)c23)=O)c4ccccc4I,0.0
13466,CO-ADD:0162947,11.49,C(=O)(Nc(cc1)ccc1OCCCCC)C(=O)NCc(ccc(c23)OCO2)c3,0.0
13467,CO-ADD:0158777,11.49,O=C(COC(C=CC=C1)=C1Br)N/N=C/C2=CC(OC)=CC=C2OCC,0.0
13468,CO-ADD:0158742,11.49,O=C(OC(C=C1)=CC=C1/C=N/NC(CNC2=CC(C)=CC=C2)=O)C3=CC=CC=C3Br,0.0
13469,CO-ADD:0155819,11.49,O=C1C2=C(CCC1)C(C3=C4C=CC=C3)=C(C=C4)NC2C5=CC(O)=C(O)C=C5,0.0
13470,CO-ADD:0156059,11.49,O=C1/C(N=C(C(C=C2)=CC=C2Br)O1)=C/C3=CC(OC)=C(OC)C(OC)=C3,0.0
13471,CO-ADD:0154890,11.49,NNC1=NC2=NON=C2N=C1NN,0.0
13472,CO-ADD:0156517,11.49,[O-][N+](C(N=C1N/N=C/C(C(Cl)=C2)=CC=C2Cl)=NN1CC)=O,0.0
13473,CO-ADD:0162320,11.49,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(cc2)ccc2Cl)c1,0.0
13474,CO-ADD:0162588,11.49,N(=C\c(cc1)ccc1N(C)C)/NC(CCCCC(=O)N\N=C\c(cc2)ccc2N(C)C)=O,0.0
13475,CO-ADD:0162600,11.49,C(C(OCC)=O)(=C(CSc1nc(CC)c(cc1C#N)C)OC(=C2C#N)N)C2c3cccc(F)c3,0.0
13476,CO-ADD:0162198,11.49,C(CNc(cc1)ccc1C)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
13477,CO-ADD:0162658,11.49,C1(C#N)(C#N)[C@@H](c2cccc(Cl)c2)[C@]([H])(C3)C(C(C#N)=C1N)=CCS3,0.0
13478,CO-ADD:0162666,11.49,c1(C#N)c(c2ccccc2)cc(nc1SCc3cccc(Br)c3)c4ccccc4,0.0
13479,CO-ADD:0162594,11.49,n1c(ccc(C#N)c1SCC(=O)c2ccc(cc2)F)c3cccs3,0.0
13480,CO-ADD:0161891,11.49,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c(cc2)ccc2OC,0.0
13481,CO-ADD:0162073,11.49,C(C(c1ccccc1)=O)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2c(cccc4C(F)(F)F)c4)=O,0.0
13482,CO-ADD:0162361,11.49,C(=O)(c1ccc(cc1)NC(CCCCC)=O)Nc2cccc(Cl)c2,0.0
13483,CO-ADD:0162461,11.48,[N+](=O)([O-])c1ccc(cc1N\N=C\c(cc2)ccc2N(C)C)N(CC3)CCN3CCO,0.0
13484,CO-ADD:0154530,11.48,NNC(C1=CC2=C(N1CC3=CC=CC=C3)C=CC=C2)=O,0.0
13485,CO-ADD:0161413,11.48,c1(cc(ccc1N(CC2)CCO2)\C=N\NC(COc(cc3)ccc3Cl)=O)[N+](=O)[O-],0.0
13486,CO-ADD:0162982,11.48,S(=O)(=O)(c1ccc(cc1)C)Oc2ccc(c3c2\C=N\NC(=O)c4c(O)cc(c5c4)cccc5)cccc3,0.0
13487,CO-ADD:0162775,11.48,N(=C(/CC1)\CCC1c2ccccc2)/NC(Cc3ccccc3)=O,0.0
13488,CO-ADD:0162810,11.48,C(=O)(C\C(\C)=N\NC(=O)c1cccc(I)c1)Nc2cccc(Cl)c2C,0.0
13489,CO-ADD:0162083,11.48,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OC(C)=O,0.0
13490,CO-ADD:0156171,11.48,[O-][N+](C1=CC=C(O)C(/C=N/C2=CC3=C(C=C2)OC(C4=CC(Br)=CC(Br)=C4)=N3)=C1)=O,0.0
13491,CO-ADD:0156179,11.48,O=C1N(/N=C/C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=C1C=CC=C4)=O,0.0
13492,CO-ADD:0155827,11.48,OC(C(OC)=CC=C1)=C1/C=N/C2=CC=C(C=C2)C(S3)=NC4=C3C=CC(C)=C4,0.0
13493,CO-ADD:0162341,11.48,c1(\C=N\NC(CNc(cc2)ccc2C)=O)cc(Br)ccc1O,0.0
13494,CO-ADD:0162270,11.48,c1(N(CC2)CCO2)nc(N\N=C/c(ccc(c3[N+](=O)[O-])O)c3)nc(Nc4cccc(Br)c4)n1,0.0
13495,CO-ADD:0161170,11.48,c(\C=N\NC(=O)\C(=C/c(cc1)ccc1N(CC)CC)\NC(c2ccccc2)=O)(c(cccc3)c3n4C)c4,0.0
13496,CO-ADD:0161194,11.48,S(c1ccccc1)(=O)(=O)N\N=C\c2ccccc2[N+](=O)[O-],0.0
13497,CO-ADD:0161218,11.48,C(C1)(CC(C2)CC3CC12)(C3)NC(=O)C\C(\C)=N\NC(COc4cccc(C)c4)=O,0.0
13498,CO-ADD:0161789,11.48,[N+](=O)([O-])c1ccccc1\C=N\NC(COc(cc2)ccc2CCCC)=O,0.0
13499,CO-ADD:0161772,11.48,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
13500,CO-ADD:0161796,11.48,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c2cccc(CC=C)c2O,0.0
13501,CO-ADD:0156352,11.48,O=C(/C(C1=C2C(C)=CC(Br)=C1)=N/NC(COC3=CC=C(C=C3C)C(C)(C)C)=O)N2C,0.0
13502,CO-ADD:0156100,11.48,O=C1/C(N=C(C2=CC=C(F)C=C2)O1)=C/C3=CC=C(C(OCC)=C3)OC(C)=O,0.0
13503,CO-ADD:0156315,11.48,O=C(NCC(N/N=C(C)/C(C=C1)=CC=C1Cl)=O)C2=CC=CO2,0.0
13504,CO-ADD:0155603,11.48,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1OC2=CC(/C=N/C3=CC=C(C=C3)C4=NC(C=C5C)=C(C=C5)O4)=CC=C2)=O,0.0
13505,CO-ADD:0155590,11.48,COC1=CC(/C=N/C2=CC(C=CC=C3)=C3N=C2)=CC=C1OC,0.0
13506,CO-ADD:0162174,11.48,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)cc(c2OC(c3ccccc3)=O)OC,0.0
13507,CO-ADD:0162963,11.48,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3C(OC)=O,0.0
13508,CO-ADD:0161798,11.48,[N+](=O)([O-])c1cc(ccc1O)\C=N\Nc(nc(Nc(cc2)ccc2[N+](=O)[O-])nc3Nc(cc4)ccc4OC)n3,0.0
13509,CO-ADD:0161822,11.48,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(ccc4c(ccc(c5Cl)Cl)c5)o4,0.0
13510,CO-ADD:0163019,11.47,N(=C(/C)\c1ccccc1)/NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
13511,CO-ADD:0161235,11.47,c12c(c3c(cccc3)CC14CCCC4)nc(nc2N5CCCC5)Cc6ccccc6,0.0
13512,CO-ADD:0162871,11.47,C(=O)(N\N=C\c(cc1)ccc1C)C(=O)Nc2ccc(cc2C)Cl,0.0
13513,CO-ADD:0162941,11.47,[N+](=O)([O-])c(cccc1C(=O)NC(C2)(C3)CC(C4)CC2CC34)c1,0.0
13514,CO-ADD:0161760,11.47,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c2cc(Br)ccc2O)nc3Nc(cc4)ccc4OC)n3,0.0
13515,CO-ADD:0162957,11.47,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(CNc(ccc(c34)cccc3)c4)=O)o1,0.0
13516,CO-ADD:0163416,11.47,C(=O)(N\N=C\c1cccc(O)c1)C(O)(c2ccccc2)c3ccccc3,0.0
13517,CO-ADD:0163472,11.47,C(=C/c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cc(Cl)ccc3O,0.0
13518,CO-ADD:0163960,11.47,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc2ccccc2\C=N\c3cccc(C)c3,0.0
13519,CO-ADD:0162240,11.47,C(=N/Nc(nc(Nc(cc1)ccc1[N+](=O)[O-])nc2Nc3ccccc3)n2)(/c4c(N5)cccc4)\C5=O,0.0
13520,CO-ADD:0162989,11.47,c1(C(=O)N\N=C\c(cc2)ccc2C)nn(c(c3ccccc3)n1)c4ccccc4,0.0
13521,CO-ADD:0162997,11.47,C(CNc1cccc(C)c1)(=O)N\N=C\c2cccc(Cl)c2,0.0
13522,CO-ADD:0163839,11.47,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3ccccc3O)C(=O)Oc(cc4)ccc4\C=N\c5ccccc5O,0.0
13523,CO-ADD:0163143,11.47,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(ccc(c2O)O)c2,0.0
13524,CO-ADD:0161943,11.47,C1(C(C1)CCCCCC)C(=O)Nc(ccc(c23)cccc2)c3,0.0
13525,CO-ADD:0161653,11.47,C(CNc(cc1)ccc1C)(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
13526,CO-ADD:0161981,11.47,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(cc2)ccc2OC,0.0
13527,CO-ADD:0163496,11.47,c1(c(OC)cc(c(\C=N\NC(COc2ccccc2C)=O)c1)OC)[N+](=O)[O-],0.0
13528,CO-ADD:0163320,11.46,c(sc(n1)N\N=C(/C)\c2ccc(cc2)OC)(C(=O)Nc(cccc3[N+](=O)[O-])c3)c1C.Br,0.0
13529,CO-ADD:0163908,11.46,c1(C(OCC)=O)c(C)oc(ccc(\C=N\C(C)(C)C)c2Cl)c12,0.0
13530,CO-ADD:0163344,11.46,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C(/C)\c(cc2)ccc2C(C)C,0.0
13531,CO-ADD:0162626,11.46,C1(C#N)(C#N)C(N)=C(C#N)C(C2C13c4c(NC3=O)cccc4)=CCC(C)C2,0.0
13532,CO-ADD:0162695,11.46,C(/C(C)=O)(\C(C)=O)=C\c(cc1C(C)(C)C)cc(c1O)C(C)(C)C,0.0
13533,CO-ADD:0154401,11.46,O=C(N/N=C/C1=CC=C(C=C1)[N+]([O-])=O)C2=CC3=CC=CC=C3N2,0.0
13534,CO-ADD:0154403,11.46,O=C(N/N=C/CC1=CC=CC=C1)C2=CC3=CC=CC=C3N2,0.0
13535,CO-ADD:0154476,11.46,CN(C(C(OCC)=O)=C1)C(C1=C2)=CC=C2OC,0.0
13536,CO-ADD:0154481,11.46,NC1(CC1C2=CC=C(OCO3)C3=C2)C(O)=O,0.0
13537,CO-ADD:0156148,11.46,O=C(NC1=CC=CC(Cl)=C1)COC(C(C)=C2)=C(C)C=C2C,0.0
13538,CO-ADD:0156128,11.46,O=C(CCC(N/N=C/C1=CC=C2OCOC2=C1)=O)NC3=C(C)C=C(C)C=C3,0.0
13539,CO-ADD:0163473,11.46,C(=C/c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3c(OCC)ccc(cccc4)c34,0.0
13540,CO-ADD:0163977,11.46,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(COc(cc2)ccc2OC)=O,0.0
13541,CO-ADD:0163329,11.46,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2cccc(Cl)c2,0.0
13542,CO-ADD:0163965,11.46,C(=O)(Nc(cc1)ccc1OC)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O,0.0
13543,CO-ADD:0163929,11.46,c12c(ccc(c1)NC(CSc3ccccn3)=O)c4c(cccc4)o2,0.0
13544,CO-ADD:0162219,11.46,c1(N(CC2)CCO2)nc(N\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])Br)nc(Nc4cc(C)ccc4C)n1,0.0
13545,CO-ADD:0162210,11.46,c1(N2CCCC2)nc(N\N=C\c(cc3)ccc3Br)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
13546,CO-ADD:0162623,11.46,c1(C#N)c(c2cccs2)c3c(nc1SCC(OCc4ccccc4)=O)CCC3,0.0
13547,CO-ADD:0162631,11.46,C12(c3c(NC1=O)cccc3)C(C(OC)=O)=C(C)OC(N)=C2C(OCC)=O,0.0
13548,CO-ADD:0162279,11.46,N1C(N\N=C\c2ccccc2O)=Nc(c3C1=O)ccc(Br)c3,0.0
13549,CO-ADD:0154370,11.46,NC(C(C=O)=C1C2=CC=CC=C2)=NC(N)=C1C=O,0.0
13550,CO-ADD:0154371,11.46,NC(OC1=NNC(C)=C1C2C3=CC=C(C=C3)[N+]([O-])=O)=C2C#N,0.0
13551,CO-ADD:0162379,11.46,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)ccc4OC(=O)c5ccccc5Cl,0.0
13552,CO-ADD:0162099,11.46,N1(c(c2)cc(cc2C(O)=O)C(O)=O)C(=O)c(cc3)c(c(c4)C1=O)c(c3C5=O)c(c4)C(N5c(c6)cc(cc6C(O)=O)C(O)=O)=O,0.0
13553,CO-ADD:0162115,11.45,C(=C\c(ccc1c(cc2)ccc2[N+](=O)[O-])o1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
13554,CO-ADD:0161696,11.45,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(COc3ccc(cc3Cl)Cl)=O)o1,0.0
13555,CO-ADD:0155141,11.45,[O-][N+](C1=C(O)C(/C=N/C2=CC(N=C(C3=CC=NC=C3)O4)=C4C=C2)=CC=C1)=O,0.0
13556,CO-ADD:0155938,11.45,O=C(SC1NC2=CC=CC=C2)N(C3=CC(C)=CC=C3)C1=O,0.0
13557,CO-ADD:0162385,11.45,c1(ccc(C)o1)\C(\C)=N/NC(CNC(=O)c2ccccc2Br)=O,0.0
13558,CO-ADD:0162129,11.45,C(=O)(NCc1ccco1)c2ccc(c(OC)c2)OC,0.0
13559,CO-ADD:0162753,11.45,C(=O)(c(cc1)ccc1N(C)C)Oc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)Cl,0.0
13560,CO-ADD:0161185,11.45,c1(\C=N\NC(CNC(=O)c2ccco2)=O)c(C)cc(cc1O)O,0.0
13561,CO-ADD:0161193,11.45,C(=O)(N\N=C\c(cccc1Oc2ccccc2)c1)c3ccc(cc3)OCc4cccc(Br)c4,0.0
13562,CO-ADD:0162005,11.45,S(Cc1ccccc1)(=O)(=O)NC(C)c2ccccc2,0.0
13563,CO-ADD:0163201,11.45,C(F)(F)(C([H])(F)F)Oc1ccc(cc1NC(=O)c(cc2)ccc2[N+](=O)[O-])NC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
13564,CO-ADD:0161641,11.45,N#Cc1ccccc1OCC(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
13565,CO-ADD:0161721,11.45,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2OCC)cc(c2O)I,0.0
13566,CO-ADD:0161947,11.45,C(CCCC(OC)=O)(NCCCCCCCC)=O,0.0
13567,CO-ADD:0158788,11.45,O=C1C(C2(CCCCC2)CC3=CC=CC=C43)=C4N=C(NN)N1,0.0
13568,CO-ADD:0155801,11.45,O=C(C1=CC=CC=C1)N/C(C(NCCCCCCCC)=O)=C\C2=CC=CC=C2,0.0
13569,CO-ADD:0162515,11.45,B(CC1CC2CC3C1)(C3)C2.N#Cc(cc4)ccn4,0.0
13570,CO-ADD:0154343,11.45,O=S(C1=C2NC(N)=C(C1C3=CC=CC=C3)C#N)(OC2(C)C)=O,0.0
13571,CO-ADD:0162403,11.44,c1(c(ccc(c2[nH]3)nc3c4ccc(cc4)\N=C\c(cc5)ccc5Br)c2)[nH]c(c6n1)ccc(c6)\N=C\c(cc7)ccc7Br,0.0
13572,CO-ADD:0154494,11.44,O=C1OC(C2=CC=CC=C2)=N/C1=CC3=CC=C(OC(C)=O)C=C3,0.0
13573,CO-ADD:0162128,11.44,S1(=O)(=O)c(cccc2)c2C(Oc(cc3)ccc3C(C)(C)CC)=N1,0.0
13574,CO-ADD:0162917,11.44,N(CCN1c2cccc(C)c2)(c3cccc(C)c3)C1c4ccc(cc4)Br,0.0
13575,CO-ADD:0162101,11.44,S(=O)(=O)(c(cccc1C(=O)Nc(cc2)ccc2[N+](=O)[O-])c1)Nc3cccc(OC)c3,0.0
13576,CO-ADD:0161763,11.44,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O,0.0
13577,CO-ADD:0154835,11.44,[O-][N+](C1=CC=CC(C(N2)=NC(C3=CC=C(C=C3)[N+]([O-])=O)=C2C(C=C4)=CC=C4OC5=CC=C(C=C5)C6=C(C7=CC=C(C=C7)[N+]([O-])=O)NC(C8=CC=CC([N+]([O-])=O)=C8)=N6)=C1)=O,0.0
13578,CO-ADD:0156311,11.44,O=C(COC(C(Br)=C1)=CC=C1OC)N/N=C/C2=CC=C(C)O2,0.0
13579,CO-ADD:0158707,11.44,O=C(COC(C=CC=C1)=C1Br)N/N=C/C2=C(OCC)C=CC(Br)=C2,0.0
13580,CO-ADD:0155583,11.44,O=C(NC1=CC=C(OCCCCC)C=C1)C2(CC3C4)CC4C[C@@H](C3)C2,0.0
13581,CO-ADD:0156316,11.44,O=C(NCC(N/N=C(C)/C(C=C1)=CC=C1Br)=O)C2=CC=CO2,0.0
13582,CO-ADD:0155138,11.44,O=C(N/N=C/C(C=CC=C1)=C1F)C2=CC(C)=NN2,0.0
13583,CO-ADD:0163442,11.44,c1(c(C)cccc1C)OCC(=O)N\N=C\c(cc2)ccc2Cl,0.0
13584,CO-ADD:0163902,11.44,c1(c2ccccc2Cl)nnc(N)o1,0.0
13585,CO-ADD:0163462,11.44,c1(ccc(\C=N\NC(=O)c(ccc(c23)OCCO2)c3)o1)c4ccc(cc4Cl)Cl,0.0
13586,CO-ADD:0163958,11.44,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(I)c1)C(NCCOC)=O,0.0
13587,CO-ADD:0163443,11.44,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(COc3ccc(cc3Br)Cl)=O)o1,0.0
13588,CO-ADD:0154507,11.44,O=C1N(C)C(SC)=N/C1=CC2=CN(C)C3=C2C=CC=C3,0.0
13589,CO-ADD:0154480,11.44,NC1(CC1C2=CC=CC=C2)C(O)=O.Cl,0.0
13590,CO-ADD:0154290,11.44,CC1=CC=C(C(O)SNNC2=NC=NC3=C2C(C)=NN3C4=CC=CC=C4)C=C1,0.0
13591,CO-ADD:0161667,11.44,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
13592,CO-ADD:0163726,11.43,C(=O)(N\N=C\c(ccc(c1OCC)OCCC)c1)C(=O)Nc2cccc(Cl)c2,0.0
13593,CO-ADD:0163717,11.43,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O,0.0
13594,CO-ADD:0162558,11.43,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCN3c4ccccc4OC)C1=O,0.0
13595,CO-ADD:0162590,11.43,N(/NC(CCC(=O)Nc(cc1)ccc1Br)=O)=C\c2ccco2,0.0
13596,CO-ADD:0162362,11.43,C(=O)(c1ccc(cc1)NC(CCCCC)=O)Nc2ccc(cc2C)Cl,0.0
13597,CO-ADD:0162142,11.43,[n+]([O-])(c1)n(C)nc1[N+](=O)[O-],0.0
13598,CO-ADD:0162976,11.43,C(=O)(NCC(=O)N\N=C/c1ccccc1\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c3ccc(c(OC)c3)OC,0.0
13599,CO-ADD:0161795,11.43,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c2ccccc2OC(C)=O,0.0
13600,CO-ADD:0161356,11.43,C(C(OCC)=O)(C1c2ccc(cc2)OC)=C(CSc3nc(C)cc(C)c3C#N)OC(N)=C1C#N,0.0
13601,CO-ADD:0163312,11.43,C(=O)(Nc(cc1)ccc1Sc(cc2)ccc2c3ccc(cc3)Sc(cc4)ccc4NC(=O)\C=C\c5ccccc5)\C=C\c6ccccc6,0.0
13602,CO-ADD:0163791,11.43,C(=O)(N\N=C\c1cccc(OC)c1)C(NCC=C)=O,0.0
13603,CO-ADD:0162448,11.43,c1(C(=O)c(cc2)ccc2[N+](=O)[O-])c(N)c(c3s1)ccc(CCC)n3,0.0
13604,CO-ADD:0163194,11.43,C(COc(cc1)ccc1C)(=O)Nc(cc2)ccc2NC(C)=O,0.0
13605,CO-ADD:0156409,11.43,O=C(N/N=C(C)/CC(NCC)=O)COC1=C(Br)C=C(Br)C(C)=C1,0.0
13606,CO-ADD:0156450,11.43,O=C(C)C1=CC=C2C(C(C3=CC(C(C)=O)=CC=C32)=CC4=CC(OC)=C(OC)C=C4)=C1,0.0
13607,CO-ADD:0156114,11.43,O=C(OC1=C2C=CC(OC(C3=CC=CC=C3)=O)=C1)C4=C2CCC4,0.0
13608,CO-ADD:0163451,11.43,N(CC(=O)N\N=C\c(ccc1c(cc2)ccc2[N+](=O)[O-])o1)(c(cccc3)c34)c(cccc5)c5C4=O,0.0
13609,CO-ADD:0163971,11.43,C(=O)(C\C(\C)=N\NC(OCc(cc1)ccc1OC)=O)Nc2ccccc2Cl,0.0
13610,CO-ADD:0163755,11.43,C(=O)(N\N=C/c1ccc(cc1OCc2ccccc2)OCc3ccccc3)c4ccc(cc4)OCCCCCCCC,0.0
13611,CO-ADD:0154506,11.43,O=C1N(C)C(SC)=N/C1=CC2=CN(C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=C2C=CC=C6,0.0
13612,CO-ADD:0162747,11.43,[C@@]1(C#N)(C#N)[C@@]([H])(c2ccccc2F)[C@]([H])(C3)C(C(C#N)=C1N)=CCN3Cc4ccccc4,0.0
13613,CO-ADD:0162843,11.43,C(=O)(N\N=C\C(c1ccccc1)c2ccccc2)c3ccc(cc3)NC(CCCCCCC)=O,0.0
13614,CO-ADD:0161180,11.43,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c3ccco3)=C\c4cccs4,0.0
13615,CO-ADD:0161388,11.43,n(c(SCC(=O)Nc(cc1)ccc1Br)nc(n2)SCC(=O)Nc(cc3)ccc3Br)c2SCC(=O)Nc(cc4)ccc4Br,0.0
13616,CO-ADD:0162542,11.43,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccccc2)c3c(OC)ccc(OC)c3,0.0
13617,CO-ADD:0163827,11.42,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(ccc(c2OC)OCC=C)c2,0.0
13618,CO-ADD:0163142,11.42,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(ccc(c2O)O)c2,0.0
13619,CO-ADD:0156154,11.42,O=C(C(C=C1)=CC=C1Cl)N2C3=C(SC4=C2C=CC=C4)C=CC(Cl)=C3,0.0
13620,CO-ADD:0156141,11.42,O=C(NC1=CC=C(OCCCCCCCCCC)C=C1)NC2=CC=CC=C2OC,0.0
13621,CO-ADD:0158736,11.42,O=C(N/N=C/C1=CC(OC)=C(C(I)=C1)O)/C(NC(C2=CC=CC=C2)=O)=C\C3=CC(OCO4)=C4C=C3,0.0
13622,CO-ADD:0158741,11.42,ClC1=C(O)C(/C=N/C2=CC(N=C(C(C=C3)=CC=C3C)O4)=C4C=C2)=CC(Br)=C1,0.0
13623,CO-ADD:0162396,11.42,C(=O)(N\N=C\c1cccc(Cl)c1)C(C)Oc(cc2)ccc2OCc3ccccc3,0.0
13624,CO-ADD:0162154,11.42,N1(C)C(=O)c2c(cc(cc2)NC(c3ccccc3)=O)C1=O,0.0
13625,CO-ADD:0162095,11.42,C(=O)(c1ccc(c(OC)c1)OC)Nc2ccc(cn2)Cl,0.0
13626,CO-ADD:0162847,11.42,c1(\C=N\NC(COc(cc2)ccc2Br)=O)cc(OC)ccc1OC,0.0
13627,CO-ADD:0161404,11.42,C(CCC(O)=O)(=O)Nc(cc1)ccc1Oc2ccccc2,0.0
13628,CO-ADD:0161415,11.42,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2Cl)=O)N3CCCCC3)c1,0.0
13629,CO-ADD:0161431,11.42,n1c(c2ccc(cc2)Br)csc1Nc3cccc(C)c3.Br,0.0
13630,CO-ADD:0161886,11.42,[N+](=O)([O-])c1c(C)ccc(c1)\N=C\c2ccccc2OC(c3ccccc3)=O,0.0
13631,CO-ADD:0161857,11.42,c1(N(CC2)CCN2C)nc(N\N=C\c(cc3)ccc3O)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
13632,CO-ADD:0155617,11.42,O=C(COC1=C(C(C)C)C=CC(C)=C1)NC2=NC=CS2,0.0
13633,CO-ADD:0158781,11.42,[O-][N+](C1=CC=CC(/C=N/C2=CC=C(C=C2)C3=NC(C=C4)=C(C=C4C)S3)=C1)=O,0.0
13634,CO-ADD:0162430,11.42,n1(CN(CC2)CCO2)c3c(nn1)cccc3,0.0
13635,CO-ADD:0162524,11.42,N(CC1)(CCO1)c2ccc(cc2)\C=N\c(cccc3\C=C\C(O)=O)c3,0.0
13636,CO-ADD:0154355,11.42,ClC(C(C#N)=C1C2=CC=CC=C2)=NC(N3CCCCC3)=C1C#N,0.0
13637,CO-ADD:0154426,11.42,[H]N(C(C1=CC=CC=C1N)=O)/N=C/C2=CNC3=C2C=CC=C3,0.0
13638,CO-ADD:0154520,11.42,O=C(C1=CNC2=CC=C(OCC3=CC=CC=C3)C=C21)OCC,0.0
13639,CO-ADD:0154367,11.42,C#CCN(CC1=CC2=CC(OCCCC3CCN(C(OC(C)(C)C)=O)CC3)=CC=C2N1C)C,0.0
13640,CO-ADD:0154532,11.42,N#CC(C#N)=CC1=CC=C(C=C1)[N+]([O-])=O,0.0
13641,CO-ADD:0162489,11.41,N1(c2ccc(cc2Cl)Cl)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
13642,CO-ADD:0162192,11.41,C(CNc1cccc(C)c1)(=O)N\N=C\c(cc2)ccc2F,0.0
13643,CO-ADD:0162216,11.41,c1(N2CCCC2)nc(N\N=C\c(cc(Br)cc3Br)c3O)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
13644,CO-ADD:0161381,11.41,N1(c2ccccc2)N=C(C(C(OC)=O)C1C(OC)=O)c3ccccc3,0.0
13645,CO-ADD:0161213,11.41,N(\N=C\c(cc(Cl)cc1Cl)c1OC)(C2=O)C(c3ccccc3C)=Nc4c2c5c(s4)CCCC5,0.0
13646,CO-ADD:0162405,11.41,n1c(c2ccc(cc2)Br)[nH]c(c(cc3)ccc3[N+](=O)[O-])c1c4ccccc4,0.0
13647,CO-ADD:0162796,11.41,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)OC)Nc2ccccc2CC,0.0
13648,CO-ADD:0161700,11.41,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(COc3ccc(cc3Cl)Cl)=O,0.0
13649,CO-ADD:0161738,11.41,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c(ccc5c6ccc(cc6)Br)o5,0.0
13650,CO-ADD:0162935,11.41,C(=O)(C(NCCc(cc1)ccc1F)=O)Nc2ccccc2F,0.0
13651,CO-ADD:0156322,11.41,[O-][N+](C1=C(/C=N\NC(COC(C(Br)=C2)=CC=C2OC)=O)C=C3OCOC3=C1)=O,0.0
13652,CO-ADD:0155920,11.41,O=C(C1=C2C=C3C(N(C(C3=C1)=O)C4CCCCCCCCCCC4)=O)N(C5CCCCCCCCCCC5)C2=O,0.0
13653,CO-ADD:0155115,11.41,N#CC(C(C1=CSC=C1)C(C2=O)=C(C=C(C)O2)O3)=C3N,0.0
13654,CO-ADD:0163962,11.41,C(N(C)C)(=S)Oc(cccc1C(=O)Nc2cccc(Br)c2)c1,0.0
13655,CO-ADD:0163762,11.41,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C\c2ccc(cc2OC)OC,0.0
13656,CO-ADD:0163945,11.41,[N+](=O)([O-])c1ccccc1C(=O)Nc(cc2)ccc2CCCC,0.0
13657,CO-ADD:0162629,11.41,C12(c3c(NC1=O)cccc3)C(C(OCC)=O)=C(C)OC(N)=C2C(OCC)=O,0.0
13658,CO-ADD:0162329,11.41,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O,0.0
13659,CO-ADD:0162650,11.41,c(C#N)(cc(C(C)=O)c(n1)C)c1SCC(=O)CC(OCC)=O,0.0
13660,CO-ADD:0162221,11.41,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3[N+](=O)[O-])nc(Nc4cc(C)ccc4C)n1,0.0
13661,CO-ADD:0216963,11.41,C(CSCc1ccccc1C)(=O)N\N=C\c(cc2)ccc2OC(C3)CS3,0.0
13662,CO-ADD:0217119,11.41,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(CSc3nc(CCCC4)c4c(c5cccs5)c3C#N)OC(N)=C1C#N,0.0
13663,CO-ADD:0215585,11.41,C(=O)(c1ccc(cc1)OC)Oc2cc(ccc2\C=N\c3ccccc3C)OC(=O)c4ccc(cc4)OC,0.0
13664,CO-ADD:0166327,11.41,C(=O)(Nc(cc1)ccc1OCCCCC)c2cccs2,0.0
13665,CO-ADD:0166335,11.41,c1(N\N=C(\C)/c2ccc(cc2)OC)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
13666,CO-ADD:0166269,11.41,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc(ccc(c4C(F)(F)F)Cl)c4,0.0
13667,CO-ADD:0166296,11.41,c1(C)c(cccc1NC(CCC(N)=O)=O)Cl,0.0
13668,CO-ADD:0164814,11.41,Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1,0.0
13669,CO-ADD:0164622,11.41,COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1.Cl,0.0
13670,CO-ADD:0164892,11.4,CC(Oc1c(Cl)cccc1Cl)C1=NCCN1.Cl,0.0
13671,CO-ADD:0164908,11.4,COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1,0.0
13672,CO-ADD:0217556,11.4,c1(c(O)c(\C=N\c(ccc(c2n3)oc3c4ccc(cc4Cl)Cl)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
13673,CO-ADD:0217027,11.4,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C\c(cc(OCO3)c3c4)c4Br,0.0
13674,CO-ADD:0217315,11.4,c1(c2ccc(c3c2)cccc3)oc4c(ccc(c4)\N=C\c(ccc(c5Cl)OC)c5)n1,0.0
13675,CO-ADD:0166302,11.4,c1(sc(c2n1)cccc2)Sc3ccc(\C=N\c(ccc(c45)cccc4)c5)o3,0.0
13676,CO-ADD:0165915,11.4,C(=O)(N\N=C\c(cc1)ccc1OC(C)C)c2ccc(cc2)C,0.0
13677,CO-ADD:0166412,11.4,N1(CNc2ccccc2C)C(=O)\C(\SC1=S)=C\c(cc3)ccc3C(OC)=O,0.0
13678,CO-ADD:0166303,11.4,C(=O)(N\N=C\c1c2c(cccc2)cc(cccc3)c13)C(=O)Nc4c(C)cccc4C,0.0
13679,CO-ADD:0165866,11.4,C(=O)(c1cccc(c1)OC(NCC(C)C)=S)Nc2cccc(cccc3)c23,0.0
13680,CO-ADD:0217434,11.4,c1(oc(c2n1)ccc(c2)\N=C\c(ccc3c(ccc(c4Cl)F)c4)o3)c5cccc(Cl)c5Cl,0.0
13681,CO-ADD:0217051,11.4,c(sc(c1C(F)(F)F)c2ccccc2)(N(c3ccccc3OC)C(=O)c4ccc(cc4)C)n1,0.0
13682,CO-ADD:0217059,11.39,C(N(CCC)CCC)(=S)Oc(cccc1C(=O)Nc(cc2)ccc2F)c1,0.0
13683,CO-ADD:0216951,11.39,C(C(C)SCc1ccccc1)(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
13684,CO-ADD:0217324,11.39,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5ccccc5I)OC,0.0
13685,CO-ADD:0217768,11.39,C(=N/O)(/c1c(N2C)cccc1)\C2=O,0.0
13686,CO-ADD:0217520,11.39,c1(N(CC2)CCO2)nc(N\N=C/c3ccccc3[N+](=O)[O-])nc(Nc4ccccc4)n1,0.0
13687,CO-ADD:0164856,11.39,CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.Cl,0.0
13688,CO-ADD:0164920,11.39,Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1,0.0
13689,CO-ADD:0164409,11.39,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,0.0
13690,CO-ADD:0164841,11.39,COc1cc(NC(C)CCCN)c2ncccc2c1.OP(=O)(O)O.OP(=O)(O)O,0.0
13691,CO-ADD:0217005,11.39,C(=O)(C\C(\C)=N\NC(COc(cc(C)c(c1)Br)c1Br)=O)Nc2cc(C)ccc2OC,0.0
13692,CO-ADD:0217501,11.39,C(=N/N\C(\c1ccccn1)=N/c2ccccc2)(/c(cc(C)cc3)c3N4C)\C4=O,0.0
13693,CO-ADD:0217282,11.39,N(c1c(C)cccc1C)C(=O)C(NCCOC=C)=O,0.0
13694,CO-ADD:0216830,11.39,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\n(cnn3)c3,0.0
13695,CO-ADD:0217614,11.39,S(c1ccccc1)(=O)(=O)N\N=C\c(cc(Br)cc2Br)c2O,0.0
13696,CO-ADD:0217406,11.39,[N+](=O)([O-])c1c(Cl)ccc(c1)c2ccc(\C=N\N(c3ccccc3)c4ccccc4)o2,0.0
13697,CO-ADD:0216899,11.39,S(c1ccccc1)(=O)(=O)NC(C(C)C)C(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
13698,CO-ADD:0217667,11.39,C(=O)(Oc(cc1)ccc1OCc2ccccc2)\C=C\c3ccccc3,0.0
13699,CO-ADD:0216885,11.39,C(C(C)SCc1ccccc1)(=O)N\N=C\c(ccc(c2OCC)OCc3ccccc3)c2,0.0
13700,CO-ADD:0217653,11.39,C(=O)(N\N=C\c(cccn1)c1)C(C)Oc(cc2)ccc2OCc3ccccc3,0.0
13701,CO-ADD:0217437,11.39,c1(oc(c2n1)ccc(c2)\N=C\c(ccc3c4ccc(cc4)I)o3)c5cccc(Cl)c5Cl,0.0
13702,CO-ADD:0217577,11.39,c(\C=N\NC(COc(cc1)ccc1OC)=O)(cc(OC)c(c2)OC)c2OC,0.0
13703,CO-ADD:0217545,11.39,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(=O)\C(=C/c(cc3)ccc3N(CC)CC)\NC(c4ccccc4)=O)o2,0.0
13704,CO-ADD:0158024,11.39,O=C(C1=CC=CC2=C1C=CC=C2)NC3=CC4=C(C=C3)C(C=CC=C5)=C5O4,0.0
13705,CO-ADD:0158216,11.38,O=C(C(C=C1)=CC=C1Cl)OC2=C(C=CC=C2)/C=N/NC(C3=C(Cl)C=C(Cl)C=C3)=O,0.0
13706,CO-ADD:0158280,11.38,O=C(COC(C=CC=C1)=C1C)N/N=C/C2=CC=C(C3=CC=C(Cl)C=C3)O2,0.0
13707,CO-ADD:0157987,11.38,O=C1OC(C=C2OCC(NC3=NC(C4=CC=C(Br)C=C4)=CS3)=O)=C(C=C2)C(C)=C1,0.0
13708,CO-ADD:0157995,11.38,N#CC1=C(Br)N=C(C2=CC=CC=C2)C=C1C3=CC=C(OC)C=C3,0.0
13709,CO-ADD:0217634,11.38,N1(\N=C\c2ccccc2)C(=O)c(c3C1=O)cccc3,0.0
13710,CO-ADD:0216874,11.38,C([C@H](NC(=O)C(C)C)CC1)[C@H](O1)c(c(cc2)F)c(F)c2,0.0
13711,CO-ADD:0217467,11.38,c1(I)ccc(\C=N\NC(CNC(=O)c2cccc(F)c2)=O)o1,0.0
13712,CO-ADD:0217475,11.38,c1(\C=N\c(ccc(c23)oc(c4cccc(F)c4)n2)c3)c(O)c(OC)cc(Br)c1Br,0.0
13713,CO-ADD:0164794,11.38,CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O,0.0
13714,CO-ADD:0164394,11.38,CN1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4.CS(=O)(=O)O,0.0
13715,CO-ADD:0158235,11.38,O=C(CN(C)C1=CC=CC=C1)NN=C2CCCCC2,0.0
13716,CO-ADD:0157972,11.38,N#CC1=C(N)OC(N(C2=CC=CC=C2)N=C3C)=C3C1C4=CC=CC(F)=C4,0.0
13717,CO-ADD:0158180,11.38,NC1=C(C(OC)=O)SC2=C1C(C3=CC=C(Cl)C=C3)=CC(C4=CC=CS4)=N2,0.0
13718,CO-ADD:0216892,11.38,N1(\N=C/c(ccc(c2[N+](=O)[O-])OC(=O)c3cccc(cccc4)c34)c2)C(=O)c5c(cccc5)C1=O,0.0
13719,CO-ADD:0216900,11.38,C(Oc(cccc1C(=O)Nc(cc2)ccc2Cl)c1)(=S)Nc(cc3)ccc3Br,0.0
13720,CO-ADD:0217668,11.38,C(=O)(N\N=C\c1ccc(cc1OC)OC)c2ccc(cc2)NC(CCCCC)=O,0.0
13721,CO-ADD:0217244,11.38,c1(c(Br)cc(cc1Br)\C=N\c(cc2)ccc2N=Nc3ccccc3)OC(c4ccccc4)=O,0.0
13722,CO-ADD:0217732,11.38,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c1c(cccc1Cl)Cl,0.0
13723,CO-ADD:0215221,11.38,N1\C(=N/N=C/c2ccccc2Cl)\S\C(=C\c(cc3)ccc3N(C)C)\C1=O,0.0
13724,CO-ADD:0215226,11.38,N1\C(=N/N=C/c(ccc(c2Br)OC)c2)\S\C(=C\c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3)\C1=O,0.0
13725,CO-ADD:0164410,11.38,CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O,0.0
13726,CO-ADD:0154546,11.38,O=C(C)C(C(O[C@H]1C[C@H](C)CC[C@H]1C(C)C)=O)=CC2=CC=CC=C2,0.0
13727,CO-ADD:0154568,11.38,O=C(C1CCN(CC2=CC=CC=C2)CC1)OC,0.0
13728,CO-ADD:0217759,11.38,C(COc1ccccc1OC)(=O)N\N=C\c2cccc(Cl)c2,0.0
13729,CO-ADD:0214982,11.38,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(=O)c2ccc(cc2)COc(cc3)ccc3C,0.0
13730,CO-ADD:0214990,11.38,c1(C(=O)\C=C\c(cc2)ccc2OC)c(C)cc(c(C)c1)C,0.0
13731,CO-ADD:0166160,11.38,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c2cc(Cl)ccc2OC,0.0
13732,CO-ADD:0154551,11.38,ClC(C=C1)=CC=C1/C=C(C(OCC)=O)/C#N,0.0
13733,CO-ADD:0154586,11.38,ClC1=NC2=CC=CC=C2C=C1C=O,0.0
13734,CO-ADD:0154584,11.38,NC(OC1=C2C(C=CC=C3)=C3C=C1)(C(C2C4=CC=CC=C4)(Br)C#N)OC,0.0
13735,CO-ADD:0156633,11.38,OC([C@@H](NC(C1=CC=CC=C1Cl)=O)C)=O,0.0
13736,CO-ADD:0156635,11.38,NC([C@@H](NC(C1=CN=CC=C1)=O)CC(C)C)=O,0.0
13737,CO-ADD:0215191,11.37,C(=O)(c(cc1)ccc1c2ccc(cc2)OC(C)=O)OCC(=O)c3ccc(cc3)Cl,0.0
13738,CO-ADD:0215207,11.37,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3Br)OC)c3)nc(Nc4cc(C)ccc4C)n1,0.0
13739,CO-ADD:0215367,11.37,C(C(=O)OC(C)C)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3ccccc3Br,0.0
13740,CO-ADD:0215003,11.37,C(/Cl)(=N/OC(=O)Nc(cc1)ccc1Br)\C(\Cl)=N\OC(=O)Nc(cc2)ccc2Br,0.0
13741,CO-ADD:0215720,11.37,c1(cc(ccc1N(C)C)\C=N\c2ccccc2C(O)=O)[N+](=O)[O-],0.0
13742,CO-ADD:0215452,11.37,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\c3ccc(cc3C)C,0.0
13743,CO-ADD:0214908,11.37,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc(cc4)ccc4Br,0.0
13744,CO-ADD:0215373,11.37,C(C(=O)OC(C)C)(C1c2ccc(cc2)SC)=C(CSc3nc(C)c(c(C)c3C#N)C)OC(N)=C1C#N.C(=O)O,0.0
13745,CO-ADD:0215501,11.37,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)C(CO)NC(OCc2ccccc2)=O,0.0
13746,CO-ADD:0215589,11.37,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2cccc(c2)\C=N\NC(=O)c3cccc(Br)c3)c1,0.0
13747,CO-ADD:0164978,11.37,CC[C@H]1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)[C@H](C)[C@@H](OC(=O)\C=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\C=C\C=C\1)[C@H]2C,0.0
13748,CO-ADD:0164634,11.37,CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl,0.0
13749,CO-ADD:0217509,11.37,c(c(O)ccc1C(O)=O)(c1)\C=N\c2cccc(cccn3)c23,0.0
13750,CO-ADD:0217565,11.37,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(F)c3)=C\c4cccs4,0.0
13751,CO-ADD:0215840,11.37,C(Oc(cccc1C(=O)Nc2cccc(C)c2)c1)(=S)Nc(cc3)ccc3F,0.0
13752,CO-ADD:0215008,11.37,C(=C\c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3C#N,0.0
13753,CO-ADD:0215796,11.37,N(c1c(C)cccc1C)C(=O)C(=O)NCc2ccccc2,0.0
13754,CO-ADD:0215132,11.37,C(=C\Nc(cc1)ccc1Oc(cc2)ccc2N\C=C(/C(C)=C(C#N)C(N3C)=O)\C3=O)(/C(C)=C(C#N)C(N4C)=O)\C4=O,0.0
13755,CO-ADD:0165913,11.37,C(=O)(N\N=C\c1ccccc1OCCCC)c2ccc(cc2)C,0.0
13756,CO-ADD:0165947,11.37,C(=O)(Oc(cc1)ccc1\C=N\Nc2ccccc2)Cc3cccc(cccc4)c34,0.0
13757,CO-ADD:0166382,11.36,C(CSCc1ccccc1Cl)(=O)N\N=C\c(ccc(c2OCC)OCCC)c2,0.0
13758,CO-ADD:0166529,11.36,C(=O)(N\N=C\c(ccc(c1Cl)Cl)c1)C(=O)Nc2ccccc2OCC,0.0
13759,CO-ADD:0166192,11.36,c1(c(O)c(\C=N\NC(=O)c(c2)cc(cn2)Br)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
13760,CO-ADD:0166631,11.36,C(O)(c1ccc(cc1)Br)(c2ccc(cc2)Br)C(OCCCN(CC3)CCO3)=O.Cl,0.0
13761,CO-ADD:0215675,11.36,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c(cccc5[N+](=O)[O-])c5)O1,0.0
13762,CO-ADD:0215755,11.36,c1(cc(c(C)s1)C)NC(c2ccccc2)=O,0.0
13763,CO-ADD:0164658,11.36,CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12.Cl,0.0
13764,CO-ADD:0165062,11.36,c1nc(cs1)-c1nc2ccccc2[nH]1,0.0
13765,CO-ADD:0164680,11.36,CCCCCNC(=N)N\N=C\c1c[nH]c2ccc(OC)cc12.OC(=O)/C=C\C(=O)O,0.0
13766,CO-ADD:0164561,11.36,CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1.CS(=O)(=O)O,0.0
13767,CO-ADD:0165008,11.36,OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1,0.0
13768,CO-ADD:0164533,11.36,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,0.0
13769,CO-ADD:0217390,11.36,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c3ccco3,0.0
13770,CO-ADD:0217502,11.36,N(/NC(COc1c(C)cccc1C)=O)=C(/C)\c2ccco2,0.0
13771,CO-ADD:0158204,11.36,O=C(NC1=CC(C)=CC=C1)C(C2CCCCC2)C(OCC)=O,0.0
13772,CO-ADD:0158301,11.36,O=C(C1N2CCN(CC2)C3=NC=CC=N3)N(C4=CC(Cl)=CC=C4)C(C1)=O,0.0
13773,CO-ADD:0217739,11.36,N1(CNc2ccc(cc2C)I)C(=O)\C(\SC1=O)=C/c3ccccc3Cl,0.0
13774,CO-ADD:0215051,11.36,N1(c2cccc(Oc(ccc(c3C4=O)C(O4)=O)c3)c2)C(=O)c(c5C1=O)ccc(C(O)=O)c5,0.0
13775,CO-ADD:0215820,11.36,C(=O)(C(=O)NCC(C)C)Nc1ccccc1OCC,0.0
13776,CO-ADD:0166240,11.36,C1(c2ccc(cc2)N)(c3ccc(cc3)N)c4c(c(cccc5)c15)cccc4,0.0
13777,CO-ADD:0166339,11.36,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCc(cccn2)c2,0.0
13778,CO-ADD:0166136,11.36,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2cccc(C)c2O,0.0
13779,CO-ADD:0215131,11.36,C(=C\Nc(cc1)ccc1OCC)(/C2=O)\C(=O)NC(=S)N2,0.0
13780,CO-ADD:0215660,11.36,N1=C(N\N=C\c(ccc(c2OC)OC)c2)SC(c3ccccc3)C1=O,0.0
13781,CO-ADD:0164549,11.35,O=c1n([se]c2ccccc12)-c1ccccc1,0.0
13782,CO-ADD:0164539,11.35,COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C,0.0
13783,CO-ADD:0164555,11.35,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,0.0
13784,CO-ADD:0164750,11.35,CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O)C(O)=O.O,0.0
13785,CO-ADD:0158134,11.35,O=C(N/N=C/C1=CC=CC=C1OCCCCC)C2=CC(C=CC=C3)=C3C=C2O,0.0
13786,CO-ADD:0158006,11.35,BrC(C(C(OC)=O)=N1)=C2N1C(C(F)(F)F)=CC(C3=CC=CC=C3)=N2,0.0
13787,CO-ADD:0158262,11.35,O=C(NC1=CC=C(Br)C=C1)CCCC(N/N=C/C2=CC=C(C=C2)Br)=O,0.0
13788,CO-ADD:0156648,11.35,O=C(C(NC(C1=CC=C(C=C1)[N+]#[C-])=O)CC=C)NCCC,0.0
13789,CO-ADD:0217199,11.35,N(=C(/CCC)\c1ccccc1)/NC(=O)c2ccc(cc2)Br,0.0
13790,CO-ADD:0217251,11.35,C(=C\NCc1ccccc1)(/C2=O)\C(=O)NC(=O)N2,0.0
13791,CO-ADD:0217447,11.35,c1(c(Br)cc(cc1\C=N\NC(=O)c(ccc(n2)C)c2)Br)OC(=O)c3ccco3,0.0
13792,CO-ADD:0215172,11.35,C(=O)(c1ccc(cc1)Cl)Nc(cc2)ccc2C(OCCCCCCC)=O,0.0
13793,CO-ADD:0215093,11.35,C(=C/NCCN\C=C(/C(=O)NC(N1)=S)\C1=O)(/C(=O)NC(N2)=S)\C2=O,0.0
13794,CO-ADD:0215125,11.35,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3Oc(cc4)ccc4N\C=C(\C(C)=NN5c6ccccc6)/C5=O,0.0
13795,CO-ADD:0215821,11.35,C(=O)(N\N=C\c(cc1)ccc1F)c2ccc(cc2)NC(CC)=O,0.0
13796,CO-ADD:0215829,11.35,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(Cl)c1)C(NCCO)=O,0.0
13797,CO-ADD:0166609,11.35,c1(NC(C2CCCCC2)=O)[nH]nnn1,0.0
13798,CO-ADD:0166593,11.35,C(=O)(N\N=C\c1cccc(Cl)c1Cl)c2ccc(cc2)OCCC,0.0
13800,CO-ADD:0165873,11.35,C(=O)(C\C(\C)=N\NC(COc(ccc(c1C)Br)c1)=O)Nc2ccc(cc2OC)OC,0.0
13801,CO-ADD:0166634,11.35,N(=C(\C)/c1ccc(cc1)C)/NC(CNc2ccccc2)=O,0.0
13802,CO-ADD:0166564,11.34,c1(\C=N\NC(=O)CN(Cc2ccccc2)Cc3ccccc3)cc(Br)ccc1O,0.0
13803,CO-ADD:0166196,11.34,N(=C(/C)\c1ccc(cc1)CC)/NC(CNc2cccc(C)c2)=O,0.0
13804,CO-ADD:0164846,11.34,NC(=O)CS(=O)C(c1ccccc1)c1ccccc1,0.0
13805,CO-ADD:0164375,11.34,OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(N[C@H]3CCC[C@@H]3O)ncnc12.O.Cl,0.0
13806,CO-ADD:0164705,11.34,Cc1nc(O)c(cc1-c1ccncc1)C#N,0.0
13807,CO-ADD:0164823,11.34,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,0.0
13809,CO-ADD:0217968,11.34,c1(c2ccc(cc2)NC(=O)c3c(Cl)ccc(c3)[N+](=O)[O-])sc4c(ccc(C)c4)n1,0.0
13810,CO-ADD:0218497,11.34,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(cc1)ccc1N(C)C,0.0
13811,CO-ADD:0217487,11.34,c(\C=N\c1ccc(cc1N)C)(c(C)c2Cl)c(O)c(c2C)Br,0.0
13812,CO-ADD:0217775,11.34,C(C#N)(C1=O)=C(c2ccc(cc2)OC)NC(=S)N1,0.0
13813,CO-ADD:0217567,11.34,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2ccccc2OC(=O)c3ccco3)=C\c4cccs4,0.0
13814,CO-ADD:0214996,11.34,C(C#N)(C1c2cccc(F)c2)=C(N)Oc(cc(O)c(\C=N\c(cc3)ccc3C)c4)c14,0.0
13815,CO-ADD:0215239,11.34,N1(c2ccccc2OC)C(=O)c(c(c3)C1=O)cc(c3C(N4c5ccccc5OC)=O)C4=O,0.0
13816,CO-ADD:0215655,11.34,C(=O)(Nc1ccccc1F)C(=O)NC(C)c2ccccc2,0.0
13817,CO-ADD:0214991,11.34,c(CC(=O)N\N=C\c(cc1)ccc1F)(c2c([nH]3)cccc2)c3,0.0
13818,CO-ADD:0217751,11.33,C(=O)(Nc1cccc(Br)c1)Nc2c(Cl)cc(c(F)c2)F,0.0
13819,CO-ADD:0217689,11.33,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1Br)C(=O)Nc(ccc(c2Cl)C)c2,0.0
13820,CO-ADD:0215774,11.33,[C@@]12(C(=O)COC(C)=O)[C@@H](CC(C(C34)CCC(CC(O)CC5)[C@@]35C)[C@]1(C)CC4)OC(C)(C)O2,0.0
13821,CO-ADD:0215798,11.33,C(F)(F)(F)C(=O)Nc1cccc(c1)Oc(cccc2NC(=O)C(F)(F)F)c2,0.0
13822,CO-ADD:0215663,11.33,N1(c2ccccc2)CC(CC1=O)C(=O)Nc3ccccc3Br,0.0
13823,CO-ADD:0164388,11.33,CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,0.0
13824,CO-ADD:0164491,11.33,OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0.0
13825,CO-ADD:0164451,11.33,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl,0.0
13826,CO-ADD:0164534,11.33,Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12.Cl,0.0
13827,CO-ADD:0217994,11.33,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O)o1,0.0
13828,CO-ADD:0217563,11.33,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccco2)=O)c(cc3OC)cc(c3OC)OC,0.0
13829,CO-ADD:0217292,11.33,c1(SCC(=O)Nc2ccccc2)ccc(\C=N\NC(=O)Cc3cccc(cccc4)c34)o1,0.0
13830,CO-ADD:0158002,11.33,O=C(C(C=C1)=CC=C1OCCC)N/N=C/C2=CNC3=C2C=CC=C3,0.0
13831,CO-ADD:0158286,11.33,CN1C(SCC2=CC=CC3=C2C=CC=C3)=NC4=C1C=CC=C4,0.0
13832,CO-ADD:0215009,11.33,C(=O)(Oc(ccc(c12)cccc1)c2)Nc(cc3)ccc3I,0.0
13833,CO-ADD:0217713,11.33,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
13834,CO-ADD:0217737,11.33,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c1cc(OC)ccc1O,0.0
13835,CO-ADD:0216833,11.33,N(c1c(C)cccc1C)C(=O)C(NCCc2ccccc2)=O,0.0
13836,CO-ADD:0215111,11.33,C(=C\NCCC)(/C1=O)\C(=O)NC(=S)N1,0.0
13837,CO-ADD:0165845,11.33,[C@@H]1(C[C@@H]2S(=O)\N=C\c(ccc(N(C)C)c3)c3)[C@@H](C1(C)C)C[C@H]2C,0.0
13838,CO-ADD:0164574,11.33,CC(C)Cc1ccc(cc1)C(C)C(O)=O,0.0
13839,CO-ADD:0164984,11.32,CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1.Cl,0.0
13840,CO-ADD:0164996,11.32,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,0.0
13841,CO-ADD:0164930,11.32,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.OS(=O)(=O)O,0.0
13842,CO-ADD:0164954,11.32,COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC,0.0
13843,CO-ADD:0157993,11.32,N#CC1=C(SC(N)=C(C#N)C1C(C=C2)=CC=C2OC)N,0.0
13844,CO-ADD:0159679,11.32,CCN(CC)CC.O[C@H]1[C@H](O)[C@@H]([C@H](O)CO)OC(OP(O)(O)=O)C1,0.0
13845,CO-ADD:0158249,11.32,[O-][N+](C1=CC=CC(C2=CC=C(/C=N/NC(CCC3=CC=CC=C3O)=O)O2)=C1)=O,0.0
13846,CO-ADD:0217601,11.32,C(COc(cc1)ccc1C(C)C)(=O)N\N=C\c(cccn2)c2,0.0
13847,CO-ADD:0217609,11.32,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(c4ccccc4)=O.CC(=O)O,0.0
13848,CO-ADD:0217649,11.32,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(COc(cc4)ccc4OC)=O,0.0
13849,CO-ADD:0217665,11.32,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(=O)c2ccc(cc2)NC(CCCCC)=O,0.0
13850,CO-ADD:0217120,11.32,C(C(OCC)=O)(=C(CSc1nc(CCCC2)c2c(c3cccs3)c1C#N)OC(=C4C#N)N)C4c5ccccc5I,0.0
13851,CO-ADD:0166673,11.32,c1(C#N)c(C)c(C)c(nc1SCC(OCc2ccccc2)=O)C,0.0
13852,CO-ADD:0166155,11.32,c1(OCC(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC)c(Br)cc(cc1Br)Br,0.0
13853,CO-ADD:0218041,11.32,N1(c2ccccc2)C(=O)C(CC1=O)SCC(=O)Nc3cccc(Cl)c3,0.0
13854,CO-ADD:0217985,11.32,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
13855,CO-ADD:0157939,11.32,O=C(N/N=C/C(C(O)=C1)=CC=C1OC)/C(NC(C2=CC=CC=C2)=O)=C/C3=CC=CC=C3,0.0
13856,CO-ADD:0158139,11.32,O=C(COC1=C(Cl)C=C(Cl)C=C1)N/N=C/C2=C(C=CC=C3)C3=CC=C2OCC,0.0
13857,CO-ADD:0158163,11.31,O=C(NC1=CC=CC(Br)=C1)CCC(N/N=C/C2=CC=CO2)=O,0.0
13858,CO-ADD:0158257,11.31,[O-][N+](C1=CC=C(C(/C=N/NC(C(C=C2)=CC=C2F)=O)=C1)N3CCCC3)=O,0.0
13859,CO-ADD:0158273,11.31,N#CCC(N/N=C/C1=CC=C(O1)C2=CC=CC([N+]([O-])=O)=C2)=O,0.0
13860,CO-ADD:0159684,11.31,O[C@H]1[C@H](O)[C@@H](CN=[N+]=[N-])OC1O,0.0
13861,CO-ADD:0217605,11.31,c1(ccc(\C=N\NC(COc(cc2)ccc2OCCCCCCCC)=O)s1)[N+](=O)[O-],0.0
13862,CO-ADD:0216861,11.31,[nH]1cnc(c1)n2cc(c3ccccc3)nn2,0.0
13863,CO-ADD:0217152,11.31,C1(C(OCCOC)=O)=C(N)OC(CCCC2=O)=C2C1c(cccc3[N+](=O)[O-])c3,0.0
13864,CO-ADD:0217084,11.31,C(=O)(N(C1CCCCC1)C2CCCCC2)c3ccccc3C(=O)OCC(C)C,0.0
13865,CO-ADD:0217008,11.31,N1(CNc(cc2)ccc2OC)C(=O)\C(\SC1=S)=C/c3ccc(C)o3,0.0
13866,CO-ADD:0217301,11.31,c1(Br)oc(cc1Br)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
13867,CO-ADD:0217069,11.31,c1(c(Br)cc(cc1Br)\C=N\c(cc2)ccc2Br)OC(=O)c3ccc(cc3)C,0.0
13868,CO-ADD:0217365,11.31,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\Nc(n2)nc(nc2Nc3ccccc3)Nc(cc4)ccc4[N+](=O)[O-],0.0
13869,CO-ADD:0165031,11.31,CC(Cc1ccc(O)c(O)c1)(NN)C(O)=O.O,0.0
13870,CO-ADD:0164948,11.31,COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.Cl.Cl,0.0
13871,CO-ADD:0156614,11.31,NC(C(O)=O)CC1=CC=C(C=C1)F.OC(C(F)(F)F)=O,0.0
13872,CO-ADD:0156623,11.31,OC(C(NC(C1=CC=C(C=C1)C)=O)CC2=C(C=CC=C2)C#N)=O,0.0
13873,CO-ADD:0158305,11.31,O=C(OC(C)(C)C)NC(CC1=CC=CC=C1)C(OCC2=CC=C(C=C2)CC(O)=O)=O,0.0
13874,CO-ADD:0217017,11.31,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CSCc2ccccc2Br)=O,0.0
13875,CO-ADD:0217178,11.31,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2cccc(c2)\C=N\c(cc3)ccc3C)c1,0.0
13876,CO-ADD:0217066,11.31,N1(\N=C\c(cc2)ccc2Br)C(=O)c3c(c4C1=O)c(c(CC5)cc3)c5cc4,0.0
13877,CO-ADD:0217362,11.31,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(ccc2c3ccc(cc3)Br)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
13878,CO-ADD:0216918,11.31,[N+](=O)([O-])c1cc(ccc1C)\C=N\NC(CSCc2ccccc2C)=O,0.0
13879,CO-ADD:0217014,11.31,c1(\N=C\c(cc2)ccc2OC)sc3c(ccc(Br)c3)n1,0.0
13880,CO-ADD:0214968,11.31,C(=O)(N\N=C\c(ccc(c1C)C)c1)C(=O)Nc2ccc(cc2C)Cl,0.0
13881,CO-ADD:0215385,11.31,c(C(=O)Nc1ccccc1I)(c(N)c(c23)ccc(c4cccs4)n2)s3,0.0
13882,CO-ADD:0215393,11.31,c1(C#N)c(c2cccs2)c3c(nc1SCC(=O)CC(OC(C)C)=O)CCCC3,0.0
13883,CO-ADD:0214889,11.3,S(=O)(=O)(c1ccc(cc1)N\C=C(/C(=O)NC(N2)=S)\C2=O)Nc3cccc(C)c3,0.0
13884,CO-ADD:0215569,11.3,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1Br)C(NCCO)=O,0.0
13885,CO-ADD:0164903,11.3,CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12.[Na+],0.0
13886,CO-ADD:0164792,11.3,CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C.OP(=O)(O)O,0.0
13887,CO-ADD:0164416,11.3,CC(C)NCC(O)c1ccc(O)c(O)c1.Cl,0.0
13888,CO-ADD:0164424,11.3,CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1,0.0
13889,CO-ADD:0149778,11.3,C#CCN(C(C(C#N)=C1)=NC(OC)=C1C#N)C,0.0
13890,CO-ADD:0149602,11.3,CN(C(CN(CC1=CN(CC2=CC=CC=C2)N=N1)C)=C3)C(C3=C4)=CC=C4OC,0.0
13891,CO-ADD:0137634,11.3,c1(C(=O)NN=Cc2ccccc2F)nonc1N,0.0
13892,CO-ADD:0137635,11.3,c1(C(=O)c2ccc(cc2)Br)sc3c(c(C)cc(C)n3)c1N,0.0
13893,CO-ADD:0149387,11.3,COc1ccc(c(nc2c(cc3)cc(OC)c3OC)on2)cc1,0.0
13894,CO-ADD:0149411,11.3,c(OC)(c(OC)c1OC)cc(C2N(CCC3)N23)c1,0.0
13895,CO-ADD:0148846,11.3,C1(C(OCC)=O)=C(C)NC(=S)NC1c(cc2)ccc2N(C)C,0.0
13896,CO-ADD:0148958,11.3,c1(cc(OC)c(c2)OC)c2C(CC(=O)N1)c(cc3OC)cc(c3OC)OC,0.0
13897,CO-ADD:0149390,11.3,c(c1OC)cc(NC(c(cc2c3OCO2)cc3OC)=O)cc1,0.0
13898,CO-ADD:0135942,11.3,n1c(C(O)C(O)c(cccc2C)n2)cccc1C,0.0
13899,CO-ADD:0136022,11.29,S=C(N([H])C=C(CC(OCC)=O)C1=O)N1[H],0.0
13901,CO-ADD:0136742,11.29,c1c(NC(=O)Oc(cccc2OC(=O)c(cccc3)c3)c2)c(C)ccc1,0.0
13902,CO-ADD:0136799,11.29,N(C(C)C)(Cc1ccccc1)S(c2n([H])c(C(C)(C)C)nn2)(=O)=O,0.0
13903,CO-ADD:0135584,11.29,n1c(c(ccc1)c(C=O)c2)n2[H],0.0
13904,CO-ADD:0149611,11.29,O=C1CC(C)C2=C(N=C(CCCC3)C3=C2N)N1,0.0
13905,CO-ADD:0153081,11.29,O=C(NC1=CN(C)C(C(NC2=CN(C)C(C(NC3=CN(CCCN(C)C)C=N3)=O)=C2)=O)=C1)CC4=CC=C(C=C4)OC.OC(C(F)(F)F)=O,0.0
13906,CO-ADD:0149733,11.29,CN1C(C2C3=C(N=C(CCCCC4)C4=C3N)OC5=C2C(C=CC=C6)=C6C=C5)=NC=C1,0.0
13907,CO-ADD:0149430,11.29,c(cc1O)(OC(N)=C(C#N)C2c(cc(OC3)c4OC3)cc4OC)c2cc1,0.0
13908,CO-ADD:0149470,11.29,c1c(c(cc2OC)cc(OC)c2OC)n(c(cc3)ccc3OC)nn1,0.0
13909,CO-ADD:0136955,11.29,C1CC(COC2=O)(C3(CCC4(C(=O)OCC4)O3)C(C)CC5O)C5C2(C)C1,0.0
13910,CO-ADD:0136034,11.29,O1C(C)=CC(C(C(c(cco2)c23)=O)=C1C3=O)=O,0.0
13911,CO-ADD:0137025,11.29,o1c(C([H])=C(/C#N)P(OCC)(OCC)=O)ccc1c(ccc2F)c(F)c2,0.0
13912,CO-ADD:0137057,11.29,s1c(C(=O)c(cc([N+](=O)[O-])cc2)c2)c(N)c(C#N)c1Nc(ccc(C(=O)OCC)c3)c3,0.0
13913,CO-ADD:0136992,11.29,Brc1ccc(c2oc(c3ccc([N+](=O)[O-])cc3)nc2)cc1,0.0
13914,CO-ADD:0136745,11.29,c1cccc(CCN(CN(CCc(cccc2)c2)CS3)C3=S)c1,0.0
13915,CO-ADD:0136961,11.29,N1=C(N)c(cn2C3C(O)C(O)C(COP(O)(O)=O)O3)c(c2nc4)c(n4)N1C,0.0
13916,CO-ADD:0136778,11.29,C1(C(CC(=O)N1[H])SC(=S)C2C(C)=NN(c3ccccc3)C2=O)=O,0.0
13917,CO-ADD:0149576,11.29,NC(C(C#N)=C1)=NC(NCCO)=C1C#N,0.0
13918,CO-ADD:0149580,11.29,CC(C(C(OCC)=O)=C1C2=CC=CC=C2)=NC(O)=C1C#N,0.0
13919,CO-ADD:0148576,11.29,O=C(CC1=CC(O)=CC=C1O)NC2=CC=C(O)C=C2O,0.0
13920,CO-ADD:0148577,11.29,O=C(NC1=CC(OC)=CC=C1OC)NC2=CC=C(OC)C=C2OC,0.0
13921,CO-ADD:0137706,11.29,c1(c(c2c(n3)nn[nH]3)non2)n[nH]nn1,0.0
13922,CO-ADD:0149209,11.29,s1c(C(c(c2)ccc(O)c2OC)C3)c(NC3=O)c(c1)c(c4)ccc(OC)c4OC,0.0
13923,CO-ADD:0149434,11.29,c(C(C(c(ccc(OC)c1)c1)C#N)=O)(cc(OC2)c3OC2)cc3OC,0.0
13924,CO-ADD:0149258,11.29,COc(c(c(O1)cc2c(c(c(n3)c4)cc(c4O5)OC5)c(c3C6)C(O6)=O)OC1)c2,0.0
13925,CO-ADD:0149261,11.29,COc(c(c(O1)cc2c(c(c(n3)c4)cc(c4OC5)OC5)c(c3C6)C(O6)=O)OC1)c2,0.0
13926,CO-ADD:0136139,11.29,c1cc(C)c(N2C=NC(NC)=NC2=O)c(C)c1,0.0
13927,CO-ADD:0136211,11.28,n1c(CC)nc(c(c1NC(C)(C)C)cn2)n2c(ccc3)cc3,0.0
13928,CO-ADD:0136219,11.28,c1c(NC(CSC(N)=O)=O)c(C(O)=O)ccc1,0.0
13929,CO-ADD:0136355,11.28,c1ccc(C)c(NC(Nc(c(C)ccc2)n2)=S)n1,0.0
13930,CO-ADD:0136119,11.28,c1c([N+](=O)[O-])sc(Sc(ncnc2)c2)n1,0.0
13931,CO-ADD:0136127,11.28,n1nnc(N=Nc2ccc3c(cccc3)c2O)n1[H],0.0
13932,CO-ADD:0136221,11.28,Clc1ccc(c(SCC(O)=O)c(C)c2)c(c1)n2,0.0
13933,CO-ADD:0135653,11.28,O(C(CC1)C(CN2CC)C3C2)C13C,0.0
13934,CO-ADD:0136098,11.28,C1CCC(C(O)=O)(N(C(CCl)=O)[H])C1,0.0
13935,CO-ADD:0149269,11.28,COc(cc(c(c(c(c1C2)C(O2)=O)c3cc(c(c(OC)c3)OC4)O4)c5)n1)c5,0.0
13936,CO-ADD:0137834,11.28,O=S(C1=CSC(C(C2)C3=CSC=C3)=C1NC2=O)(C(C=C4)=CC=C4Cl)=O,0.0
13937,CO-ADD:0149517,11.28,c(C(=O)\C=C\c(c(OC)c1OC)cc(OC)c1OC)(c2Br)cc(OC)c(OC)c2,0.0
13938,CO-ADD:0148619,11.28,s1cc(c2c1C(c3ccc(OCc4c(F)cccc4)cc3)CC(=O)N2)c(cc(c5OC)OC)cc5,0.0
13939,CO-ADD:0149341,11.28,c(cc(O)cc1)(c1C2c(cc3)ccc3Cl)NC(=O)C2,0.0
13940,CO-ADD:0149796,11.28,NC(C(C#N)=C1)=NC(NC2CCN(CC3=CC=CC=C3)CC2)=C1C#N,0.0
13941,CO-ADD:0149624,11.27,NC1=C2C(CCCC2)=NC3=C1C4=CC=CC=C4N3CC5=CC=CC=C5,0.0
13942,CO-ADD:0149804,11.27,O[C@@H](CC1)CC[C@H]1NCC2=CC=CC=C2,0.0
13943,CO-ADD:0153041,11.27,CN1C=C(NC(CCC(OC)=O)=O)C=C1C(NC2=CN(C)C(C(NCCN3CCOCC3)=O)=C2)=O.OC(C(F)(F)F)=O,0.0
13944,CO-ADD:0153103,11.27,CN1C=C(NC(C2=CC=C(/C=C/C3=C(ON4N=NC5=C4C=CC=C5)N=C6C(C=CC=C6)=C3)C=C2)=O)C=C1C(NC7=NC(C(NCCN8CCOCC8)=O)=C(CCC(C)C)S7)=O.OC(C(F)(F)F)=O,0.0
13945,CO-ADD:0137653,11.27,c1(C(=O)NN=Cc(cc(Br)c(c2)O)c2O)nonc1N,0.0
13946,CO-ADD:0136168,11.27,c1(c2ccccc2c(nc3N)nc(N)n3)nc(N)nc(N)n1,0.0
13947,CO-ADD:0136184,11.27,c1ccc(n([H])c(NS(C)(=O)=O)n2)c2c1,0.0
13948,CO-ADD:0136312,11.27,O=C(CCC1)C1C(=O)Nc2ccc(cccc3)c3c2,0.0
13949,CO-ADD:0149352,11.27,c(OC)(c(OC)c(OC)cc1C(=C(c(cc2)ccc2OC)CC3)C3=O)c1,0.0
13950,CO-ADD:0149368,11.27,c(cnn1C)(C(CC(N2)=O)c(cc3OC)cc(c3O)OC)c12,0.0
13951,CO-ADD:0148797,11.27,c(OC1)(c(OC)cc2C(CC)=O)c(O1)c2OC,0.0
13952,CO-ADD:0148985,11.27,n1c(csc1Nc2cccc(C)n2)c3cccs3,0.0
13953,CO-ADD:0136121,11.26,n1ccn(c2c(cccc2Cl)Cl)c1S,0.0
13954,CO-ADD:0136209,11.26,Clc(c1Cl)nc(c(n2c3CCC2)n1)n3,0.0
13955,CO-ADD:0136469,11.26,O(CC)C(Nc1ccc2c(nc(c3ncsc3)n2[H])c1)=O,0.0
13956,CO-ADD:0135605,11.26,C1=C(C(N([H])C=C1Cl)=O)Cl,0.0
13957,CO-ADD:0137134,11.26,n1c(C(c(ccc(OC(C)=O)c2)c2)c3ccc(OC(C)=O)cc3)cccc1,0.0
13958,CO-ADD:0137142,11.26,c1ccc(N([H])C(c2c(O)c(Cl)cc(Cl)c2)N(CCc3ncccc3)C4=O)c4c1,0.0
13959,CO-ADD:0136178,11.26,O(c(cc(C(O)=O)cc1)c1)c(ccc(C(C)(C)CC)c2)c2,0.0
13960,CO-ADD:0137236,11.26,O=C(C(C)CC(C)(O)C(O)C(C)C(C(C)C(=O)O1)OC(C2)OC(C)C(O)C2(C)O)C(C)C(O)C(C)C1CC,0.0
13961,CO-ADD:0137242,11.26,O=C(C(N([H])C(C(=CC=C/C(C(C(C)=CC(C)C(O[H])C(OC)CC(C)C1)OC(=O)N([H])[H])OC)C)=O)=CC2=O)C1=C2N([H])[H],0.0
13962,CO-ADD:0137076,11.26,Brc(ccc(Nc(nc(c(cn1)c2Nc3ccc(cc3)Br)n1C)n2)c4)c4,0.0
13963,CO-ADD:0135869,11.26,c1c(C(NC(C)C)=O)ccc(C(C)C)c1,0.0
13964,CO-ADD:0135742,11.26,[H]N1C(SC)=NC(=NN)S1,0.0
13965,CO-ADD:0149139,11.26,c1(c(NC(CC1c2ccc(Cl)cc2)=O)cc3)s3,0.0
13966,CO-ADD:0148763,11.26,COc(c(O)c1)ccc1c(oc2c3cc(OC)c(OCO4)c4c3)nn2,0.0
13967,CO-ADD:0148831,11.26,c(OC=C(c(ccc(OC)c1OC)c1)C2=O)(c23)cc(OC)c(OC)c3,0.0
13968,CO-ADD:0148759,11.26,COc(c(O)c1)ccc1c([nH]c2c3cc(OC)c(OC)c(OC)c3)nn2,0.0
13969,CO-ADD:0149159,11.26,c(c(N1)[nH]2)(cn2)C(c(c3)ccc(OC)c3)CC1=O,0.0
13970,CO-ADD:0149588,11.26,CC(NC1=C(C(C2=CC=CC=C2)=C(C(OC)=N1)C#N)C#N)=O,0.0
13971,CO-ADD:0149592,11.26,C#CCNC1=NC=C(Cl)C=C1,0.0
13972,CO-ADD:0153059,11.26,NC1=C(CN2N=NC(CC(C(O)=O)N)=C2)C=NC(C)=N1.Cl,0.0
13973,CO-ADD:0153102,11.25,O=C(C1=CC(NC([H])=O)=CN1C(C)C)NC2=CN(C)C(C(NC3=CN(C(C)C)C(C(NCCCN(C)C)=O)=C3)=O)=C2.OC(C(F)(F)F)=O,0.0
13974,CO-ADD:0136429,11.25,N1(C)CCC(=C(/c2c(cccc2)C3O)c(c3ccc4)c4)CC1,0.0
13975,CO-ADD:0136645,11.25,O(CC(O)=O)c(cc(CC[C@]([C@@]1(CC2)[H])([C@](CC3)([C@@]2(C)C3=O)[H])[H])c14)cc4,0.0
13976,CO-ADD:0136669,11.25,n1c(N)nc(N)c(c1N)N=Nc(ccc(C(O)=O)c2)c2,0.0
13977,CO-ADD:0136478,11.25,c1cncc(C=C(c(c(ccc2)C3=O)c2)/c(c3ccc4)c4)c1,0.0
13978,CO-ADD:0136701,11.25,O=C1C(C)=CN(C(=O)N1Cc2ccccc2)C(CC(O)C3CO)O3,0.0
13979,CO-ADD:0135766,11.25,S=C(N([H])C(C)=C(CCCC)C1=O)N1[H],0.0
13980,CO-ADD:0137085,11.25,[H]N1CCN=C1c(ccc(NC(=O)c(c(ccc2C(Nc(ccc(C(N(CC3)[H])=N3)c4)c4)=O)Cl)c2)c5)c5,0.0
13981,CO-ADD:0136301,11.25,Clc1cc(Cl)c(Oc2c(O)nc(S)nc2)cc1,0.0
13982,CO-ADD:0148976,11.25,c1(nc(c2n1CC(=O)Nc(cc(C)cc3C)c3)cccc2)c4nonc4N,0.0
13983,CO-ADD:0148982,11.25,[N+](=O)([O-])c(ccc(c12)C=Cc(cccc3OC)c3O1)c2,0.0
13984,CO-ADD:0148710,11.25,C(Oc(cc1CNc2c(C(=O)Nc3ccc(F)cc3)nsc2)c4cc1)O4,0.0
13985,CO-ADD:0149118,11.25,c(N)(c1C(Oc(c2)ccc(OC)c2)=O)cccc1,0.0
13986,CO-ADD:0149239,11.25,s1cc(C(CC(=O)N2)c(snc3c4cccc(F)c4)c23)cc1,0.0
13987,CO-ADD:0149654,11.25,C#CCN(CC1=CC2=CC(OC(N(C)C)=O)=CC=C2N1C)C,0.0
13988,CO-ADD:0149661,11.25,C#CCNC(C(C#N)=C1C2=CC=CC=C2)=NC(NCCCCC3CCN(CC4=CC=CC=C4)CC3)=C1C#N,0.0
13989,CO-ADD:0137155,11.25,c1c(nc2c(CN3C2=CC4=C(COC(=O)[C@@]4(CC)O)C3=O)c5)c5c(NC(CN)=O)cc1.Cl,0.0
13990,CO-ADD:0136893,11.24,O=[As](O)(c1ccc(O)c([N+](=O)[O-])c1)c2ccc(O)c([N+](=O)[O-])c2,0.0
13991,CO-ADD:0136774,11.24,S(Cc1ccccc1)c2sc(C(=O)N3CCCCC3)c(N)n2,0.0
13992,CO-ADD:0136453,11.24,c1(c2ccccc2)n(O)[n+]([O-])c(c3ccccc3)c1C,0.0
13993,CO-ADD:0135897,11.24,Clc1n([H])c(CC(OC)=O)c(C(N)=O)n1,0.0
13994,CO-ADD:0135921,11.24,n1c(C(=O)OCC)c(O)cn1c(cccc2)c2,0.0
13995,CO-ADD:0136009,11.24,[H]n1c(cccc2)c2c(ccn3)c1c3CCCCO,0.0
13996,CO-ADD:0137688,11.24,c1c(c(cc2OC)ccc2OCC)n(c(c(N)n3)no3)nn1,0.0
13997,CO-ADD:0137691,11.24,c(c(C(OCC)=O)n1)(N=C2)c(s1)C(=O)N2,0.0
13998,CO-ADD:0135667,11.24,[H]C(/C(=O)NC(=O)N)=C(/C(=O)OCC=C)[H],0.0
13999,CO-ADD:0135691,11.24,c1(N)ccnn1c2ccccc2,0.0
14000,CO-ADD:0135795,11.24,c1(C)ccc(n2c(nnc2)s3)c3c1,0.0
14001,CO-ADD:0135945,11.24,n1c(c(C)cc2)c(cc3c1c(C)ccc3)c2,0.0
14002,CO-ADD:0135874,11.24,O=C1c2c(C(C(=C(N)CC3)C1=C3N)=O)cccc2,0.0
14003,CO-ADD:0135810,11.24,c1c[n+]([O-])cc(C(OC)=O)c1OC,0.0
14004,CO-ADD:0137695,11.24,C(=O)(Nc1cccc2c1COC2=O)c(c3c4cccc3)cc(n4)c5ccccc5,0.0
14005,CO-ADD:0149357,11.24,c(cc1)(OC(=O)C(CC2=C(O)c3c(cccc3)OC2=O)=C4O)c4cc1,0.0
14006,CO-ADD:0149373,11.24,n1c(N)sc(cc(OC)cc2N)c12,0.0
14007,CO-ADD:0149297,11.24,c(cc1OC)(NC2=C(C(=O)OC2)C3c(cc4OC)cc(OCO5)c45)c3cc1,0.0
14008,CO-ADD:0148701,11.24,c12c(C(CC(=O)N1)c3ccc(cc3)F)snc2c4ccc(cc4)OC,0.0
14009,CO-ADD:0135803,11.24,c1(Nc2ccccc2)n([H])nc(N)n1,0.0
14010,CO-ADD:0135963,11.24,n1c(CO)c(CO)n(c(cccc2)c2)n1,0.0
14011,CO-ADD:0136310,11.24,O=C(N=C(C(C(C(F)(F)F)(F)F)(F)F)N1[H])O1,0.0
14012,CO-ADD:0135840,11.24,c1c(C(O)=O)cncc1Br,0.0
14013,CO-ADD:0135872,11.23,[H][C@](CCCC1)([C@@](C2)(C[C@](C3)(C(=CC=CC4=O)N24)[H])[H])N13,0.0
14014,CO-ADD:0135920,11.23,O=C1c2c(cccc2)C(C1c3ccccn3)=O,0.0
14015,CO-ADD:0135914,11.23,c1cc(ccc1C)C(C(=S)SS2)=C2,0.0
14016,CO-ADD:0135882,11.23,O1c(ccc(O)c2)c2C(C=C1c(cccc3)c3)=O,0.0
14017,CO-ADD:0136921,11.23,n1(C)c(C)c(C(C(O)=O)(C)c(c(C)n2C)c(ccc3)c2c3)c(ccc4)c1c4,0.0
14018,CO-ADD:0148850,11.23,C1(C(OC)=O)=C(C)NC(NC1c2cc(OC)ccc2OC)=S,0.0
14019,CO-ADD:0148954,11.23,C1(CC(=O)Nc(cc(CCC2)c2c3)c13)c4cc5c(cc4Br)OCO5,0.0
14020,CO-ADD:0148802,11.23,c(c(cc1OC)cc(OC)c1OC)(c2)n(c3c(N)non3)nn2,0.0
14021,CO-ADD:0137256,11.23,C1(OC(C(C(C(NC(C(=O)N2C(C(N(C(C(OC(C(NC(=O)C(CC(C)C)N(C(C3N(C(C(C)O)=O)CCC3)=O)C)C(N[C@@]([H])([C@@]([H])(CC)C)[C@]([H])(O)C1)=O)C)=O)Cc4ccc(OC)cc4)C)=O)CCC2)CC(C)C)=O)C)=O)C(C)C)=O,0.0
14022,CO-ADD:0137209,11.23,O=C(c(c(OC)ccc1)c1C2=O)c(c(O)c([C@H](C[C@](O)(C(C)=O)C3)OC4CC(N)C(O)C(C)O4)c3c5O)c25.Cl,0.0
14023,CO-ADD:0137252,11.23,C1C2(C)C(C(C)CCC2)=CC(C(=C)C3=O)C1O3,0.0
14024,CO-ADD:0149128,11.23,c(c1)c([nH]2)c(c(C(=O)C(=O)Nc(cc(OCC3)c4O3)cc4)c2)cc1Br,0.0
14025,CO-ADD:0148822,11.23,c(cc1c2c(c(cc(Br)c(OC)c3OC)c3)onc2)c(OC)cc1,0.0
14026,CO-ADD:0148786,11.23,c(OCO1)(c1c2OC)c(OC)c(C\C=C\C(c(ccc(OC)c3)c3)=O)c2,0.0
14027,CO-ADD:0148859,11.23,n1c(c2ccc(cc2)OC)cc(cc1c3ccc(cc3)OC)c4ccc(cc4)OC,0.0
14028,CO-ADD:0149478,11.23,c1(n2nncc2c3ccc(OCO4)c4c3)c(n5cccc5)non1,0.0
14029,CO-ADD:0148621,11.23,s1cc(c2c1C(c3ccc(OCc4cc(Cl)ccc4)cc3)CC(=O)N2)c(cc(c5OC)OC)cc5,0.0
14030,CO-ADD:0137258,11.23,c1(C)occ(C([H])=C(C(=C(C(=C([C@]([H])([C@@]([H])([C@]2([H])OC(=O)[C@@]([H])(O3)[C@@]3([H])C[C@]([H])(CC(=O)O4)C[C@@]4([H])[C@]([H])(C)C=C[C@]([H])(O5)[C@@]5(C)[C@]([H])(O)C2)C)OC)/C)[H])[H])[H])/C)n1,0.0
14031,CO-ADD:0136515,11.23,C12(C)C(C)(O1)Cc(c(OC(C)=O)cc3)c(C2)c3OC(C)=O,0.0
14032,CO-ADD:0137018,11.23,c1c(c(O)c(C(Nc(ccc2Br)c(c2ccc3)c3)=O)cc4)c4ccc1,0.0
14033,CO-ADD:0137084,11.23,Clc(cc(C(C)(C)c1cc(c(O)c(CN2CCOCC2)c1)Cl)cc3CN4CCOCC4)c3O,0.0
14034,CO-ADD:0135708,11.23,N1(P(N(C)C)(N(C)C)=O)CC1,0.0
14035,CO-ADD:0137061,11.23,O(C(C)=O)c1c(C)c(OC(C)=O)c2c(OC3C2(C)C(O)=C(C(C)=O)C(=O)C3)c1C(C)=O,0.0
14036,CO-ADD:0136024,11.22,n1ncn(c1)N=Cc(cc(CC2)c3C2)cc3,0.0
14037,CO-ADD:0135745,11.22,c1(O)c2c(ccc1C)ccc(C#N)c2,0.0
14038,CO-ADD:0135801,11.22,c1(C)nnc(n2cccc2)s1,0.0
14039,CO-ADD:0149056,11.22,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(no4)cc4C)c2)cc1,0.0
14040,CO-ADD:0149314,11.22,COc(c(cc(c(o1)nc(c2cc(c(c(OC)c2)OC3)O3)n1)c4)O)c4,0.0
14041,CO-ADD:0148648,11.22,c(OC)(c(OC)c1\C=C\C(c(cc2)c(F)cc2)=O)c(OC3)c(O3)c1,0.0
14042,CO-ADD:0149330,11.22,COc1ccc(C(C(=O)Oc(cc2OC)c3c(OC)c2OC)=C3)cc1,0.0
14043,CO-ADD:0149354,11.22,COc(ccc(c(c(c1cc(OC)c(OCO2)c2c1)n3)c(o3)N)c4)c4,0.0
14044,CO-ADD:0148686,11.22,c(OC)(c(OC)c1\C=C\C(c(cc2)cc(O3)c2OCC3)=O)c(OC4)c(O4)c1,0.0
14045,CO-ADD:0136392,11.22,C(Nc1c(c(cc(OC)c1)ccc2)n2)c(ccc3)c(O)c3,0.0
14046,CO-ADD:0136480,11.22,C1CCC(NCCc2ccc(OC)c(OC)c2)(C#N)CC1,0.0
14047,CO-ADD:0136520,11.22,s1c(C)nc(cc(S(=O)(=O)NC(C)=O)c2)c1c2,0.0
14048,CO-ADD:0136473,11.22,c1cc(ccc1OC)N=C(/C(N2[H])=N[H])C(=C2N)C(OCC)=O,0.0
14049,CO-ADD:0136643,11.22,N1=C(N)N([H])C(N)=C(C1=O)N=Nc(ccc(S(N)(=O)=O)c2)c2,0.0
14050,CO-ADD:0136651,11.22,N1(CC(O)COc(cc(OC)cc2)c2)CCN(CC1)c(cccc3)c3,0.0
14051,CO-ADD:0136587,11.22,c1c(NC(=O)Nc(c(C)cc(O)c2C(C)C)c2)ccc(OCC)c1,0.0
14052,CO-ADD:0149049,11.22,C(C)(C(O)CC1)(CC2)C1C(C23)CCc(cc(c(Br)c4)O)c34,0.0
14053,CO-ADD:0137026,11.22,O=C([C@]1([C@@](C(C[C@@](C(C)(C)[C@@H](O)CC2)([C@@]12C)[H])=O)([C@](C)(CC3)[C@@]4(C)[C@@]3([H])[C@@](CCC(O)=O)(C)[H])[H])[H])C4,0.0
14054,CO-ADD:0136431,11.22,c1c(NC(=N)C(Nc(ccc(N)c2)c2)=N)ccc(N)c1,0.0
14055,CO-ADD:0135854,11.22,O=C(N(C)c(c1C2=O)nc(CCC)n1[H])N2C,0.0
14056,CO-ADD:0136388,11.22,C(/C(OC)=O)(C(OC)=O)=C/c(c([N+](=O)[O-])ccc1)c1,0.0
14057,CO-ADD:0136492,11.22,c1(O)c(C)cc(C=C(C(N([H])C2=S)=O)/S2)cc1C,0.0
14059,CO-ADD:0149719,11.22,ClC(C(C#N)=C1)=NC(N2CCCC2)=C1C#N.Cl,0.0
14060,CO-ADD:0149723,11.21,CC(/C=C/C1CCN(CC2=CC=CC=C2)CC1)=O,0.0
14061,CO-ADD:0149841,11.21,BrC(/C(OC1=C2C=CC3=C1C=CC=C3)=NBr)(C2C4=CC=C(C=C4)OC)C#N,0.0
14062,CO-ADD:0149219,11.21,c12c(OCO1)c(OC)cc(C=O)c2OC,0.0
14063,CO-ADD:0149268,11.21,COc(cc(c(n1)c2)c(c(c1C3)C(O3)=O)c4cc(c(c(OC)c4)OC5)O5)c2,0.0
14064,CO-ADD:0137877,11.21,COC1=C2C(OCO2)=C(OC)C=C1C(NCCO)=O,0.0
14065,CO-ADD:0135790,11.21,C1(C#N)=C(C)N([H])C(C)=C(C#N)C1(C)C,0.0
14066,CO-ADD:0136617,11.21,c1c(NC(=O)c2c(O)cc(cccc3)c3c2)ccc(OCC)c1,0.0
14067,CO-ADD:0135779,11.21,n1c2c(c(CN(C)C)cn2[H])ncc1,0.0
14068,CO-ADD:0136568,11.21,O=[As](O)(O)c(ccc(c1)N=Nc(ccc(O)c2)c2)c1,0.0
14069,CO-ADD:0140014,11.21,N#CC1=CC=C(C2=CC=CC=C2NC3=CC=CC=C3)C=C1,0.0
14070,CO-ADD:0149856,11.21,N=C(C(C1C2=CC=C(C=C2)OC)(Br)C#N)OC3=C1C(C=CC=C4)=C4C=C3,0.0
14071,CO-ADD:0149200,11.21,c1(c(OC)c2c(OCO2)c(OC)c1Br)C(ON=C3C(OCC)=O)C3C,0.0
14072,CO-ADD:0137852,11.21,ClC1=C(OC)C2=C(OCO2)C(OC)=C1C3=NOC(C4(O)CCN(C)CC4)=C3,0.0
14073,CO-ADD:0149259,11.21,COc(c(c(OC)cc1c(c(c(n2)c3)cc(c3OC4)OC4)c(c2C5)C(O5)=O)OC)c1,0.0
14074,CO-ADD:0149523,11.21,c1(c2[nH]c(NC(=O)OC)n1)ccc(SCCC)c2,0.0
14075,CO-ADD:0136627,11.21,O=C(C=C(CC[C@]([C@@]1(C(C2)=O)[H])([C@](CC[C@@H]3C(C)=O)([C@]23C)[H])[H])[C@@]14C)C=C4,0.0
14076,CO-ADD:0136718,11.21,Fc(ccc1)c(NC(Nc(ccc(c2)SCC(O)=O)c2)=O)c1,0.0
14077,CO-ADD:0149695,11.21,C=C(C1)N2C(C(C#N)=CN=C2N1C)=N,0.0
14078,CO-ADD:0137665,11.21,c1(C(=O)NN=C/c(cc2OC)cc(c2OC3=O)S3)nonc1N,0.0
14079,CO-ADD:0137829,11.21,CC1=CC(C)=CC(C)=C1C2=NOC(CC3=C(OC)C(OCO4)=C4C(OC)=C3)C2,0.0
14080,CO-ADD:0137815,11.21,COC1=CC=C(C2=CC=CC3=CC(OCO4)=C4C=C32)C=C1,0.0
14081,CO-ADD:0149506,11.21,c(c(Br)c1C(=O)\C=C\Nc(cc2)ccc2OC)c(OC)c(OC)c1,0.0
14082,CO-ADD:0135967,11.21,Clc(cc([N+](=O)[O-])c(S(N)(=O)=O)c1)c1,0.0
14083,CO-ADD:0149621,11.21,OC1=CC=C(NC(NCC#C)=C2C#N)C2=C1,0.0
14084,CO-ADD:0149798,11.2,CC(C=C1)=CC=C1S(N2[C@@H]3CC[C@H]2CC3)(=O)=O,0.0
14085,CO-ADD:0149801,11.2,O[C@@H](CC1)CC[C@H]1NC(C2=CC=CC=C2)=O,0.0
14086,CO-ADD:0153097,11.2,O=C(C1=CC(NC([H])=O)=CN1C)NC2=CN(C(C)C)C(C(NC3=CN(C)C(C(NCCCN(C)C)=O)=C3)=O)=C2.OC(C(F)(F)F)=O,0.0
14087,CO-ADD:0149818,11.2,CC1=C(C(C2=CC=CO2)C(C#N)=C(N)O1)C(OCC)=O,0.0
14088,CO-ADD:0149826,11.2,C#CCN(C1=NC(NCCCCC2CCN(CC3=CC=CC=C3)CC2)=C(C(C4=CC=CC=C4)=C1C#N)C#N)C,0.0
14089,CO-ADD:0242022,11.2,N1(c2c(C)cccc2C)C(=O)C(C3(C)C1=O)C(CC34)C=C4,0.0
14090,CO-ADD:0242002,11.2,N(C(=O)NC=C1NC(=O)\C=C\c2ccccc2)C1=O,0.0
14091,CO-ADD:0241991,11.2,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)OC,0.0
14092,CO-ADD:0245985,11.2,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3C=O)C1=O,0.0
14093,CO-ADD:0153066,11.2,CC(C)CCC1=C(C(NCCCN(C)C)=O)N=C(NC(C2=CC(NC(C3=CC(NC(CCC(OC)=O)=O)=CN3C)=O)=CN2C)=O)S1,0.0
14094,CO-ADD:0153067,11.2,CN1C=C(NC(C2=C(C(C)C)SC(N)=N2)=O)C=C1C(NC3=CN(C)C(C(NCCN4CCOCC4)=O)=C3)=O.OC(C(F)(F)F)=O,0.0
14095,CO-ADD:0149637,11.2,ClCC1=C2C(N=CC=C2)=C(OC(N(C)C)=O)C=C1,0.0
14096,CO-ADD:0149814,11.2,CC1=C(C(C2=CC=C(Cl)C=C2)C(C#N)=C(N)O1)C(OCC)=O,0.0
14097,CO-ADD:0241969,11.2,S(=O)(=O)(N1CCCCC1)c(ccc(c2C(=O)NCc(cccn3)c3)Cl)c2,0.0
14098,CO-ADD:0246018,11.2,N1(C(=O)c2ccccc2[N+](=O)[O-])N=C(CC1(O)c3cccc(OC)c3)C(F)(F)F,0.0
14099,CO-ADD:0240994,11.2,C(C#N)(C1c2scc(Br)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
14100,CO-ADD:0245693,11.2,C(=N/c1ccccc1)(/SC(C2=O)CC(=O)NCc3ccccc3)\N2CCCCO,0.0
14101,CO-ADD:0246065,11.2,n1(nnc(C(=O)N\N=C\c2ccco2)c1CN(CC)CC)c3nonc3N,0.0
14102,CO-ADD:0149828,11.2,ClC(C(C#N)=C1C2=CC=CC=C2)=NC(N(C)C)=C1C#N,0.0
14103,CO-ADD:0149656,11.2,C#CCNC(N=C(NCC#C)C(C#N)=C1)=C1C#N,0.0
14104,CO-ADD:0149833,11.2,C#CCNC(C(C#N)=C1)=NC(NCCC2CCN(CC3=CC=CC=C3)CC2)=C1C#N,0.0
14105,CO-ADD:0149658,11.2,C#CCN(C(C(C#N)=C1)=NC(NCCCC2CCN(CC3=CC=CC=C3)CC2)=C1C#N)C,0.0
14106,CO-ADD:0149659,11.2,C#CCNC(C(C#N)=C1C2=CC=CC=C2)=NC(NCCCC3CCN(CC4=CC=CC=C4)CC3)=C1C#N,0.0
14108,CO-ADD:0149449,11.2,c(C1C([N+]([O-])=O)C(=O)Nc(n(C(C)C)nc2)c12)(c3)cc(c(c3OC)O)OC,0.0
14109,CO-ADD:0137884,11.2,COC1=C2C(OCO2)=C(OC)C(/C=C/C(N3CCN(C)CC3)=O)=C1,0.0
14110,CO-ADD:0148587,11.2,OC(C=CC(O)=C1)=C1C2=CN(C3=CC(O)=C(O)C=C3)N=N2,0.0
14111,CO-ADD:0149231,11.19,COc(c1)c(OC)c(OC)cc1C(Oc(cc2OC)c3cc2)CC3=O,0.0
14112,CO-ADD:0137849,11.19,ClC1=C(OC)C2=C(OCO2)C(OC)=C1C3=NOC(CO)=C3,0.0
14113,CO-ADD:0149524,11.19,c1(OC2)c(c(OC)c(N3)c(NC(=O)C3=O)c1OC)O2,0.0
14114,CO-ADD:0149245,11.19,c(c(cccc1)c12)(OC(N)=C(C#N)C3c(scc4)c4)c3cc2,0.0
14115,CO-ADD:0149456,11.19,c(c1ccc(Cl)cc1)(c(NC(=O)C)no2)c2c3ccc(OC)cc3,0.0
14116,CO-ADD:0149464,11.19,c1(c(OCO1)cc(C(C#N)C(c(ccc(OC)c2)c2)=O)c3OC)c3OC,0.0
14117,CO-ADD:0147069,11.19,[Re]1(C#[O+])(C#[O+])(Br)([N+](C=CC=2)=c3c2c(nc(cccc4)c4n5)c5c6c3[N+]1=CC=C6)C#[O+],0.0
14118,CO-ADD:0140024,11.19,FC(C1=CC(C2=CC=CC=C2NC3=CC=CC=C3)=CC=C1[N+]([O-])=O)(F)F,0.0
14119,CO-ADD:0149226,11.19,c(OC)(c1c2OCO1)c(\C=C(\[N+](=O)[O-])/C)cc2OC,0.0
14120,CO-ADD:0137890,11.19,COC1=C2C(OCO2)=C(OC)C=C1C(NC3=CC=C4C(OCO4)=C3)=O,0.0
14121,CO-ADD:0149422,11.19,c(C1c(c2N)c(nc(N)c2C#N)Oc(cc3O)c1cc3)(cc4)c(OC)cc4OC,0.0
14122,CO-ADD:0137814,11.19,COC1=CC=C(C2=CC=CC3=CC(OC)=C4C(OCO4)=C32)C=C1,0.0
14123,CO-ADD:0149233,11.19,c1ncc(n(c(c2C3c(cc(OCO4)c45)cc5)NC(=O)C3)cn2)cc1,0.0
14124,CO-ADD:0149266,11.19,COc(c(c(OC)cc1c(c(c(n2)c3)cc(c3CC4)CC4)c(c2C5)C(O5)=O)OC)c1,0.0
14125,CO-ADD:0149356,11.19,COc(ccc(C(C(c1cc(OCO2)c2c(OC)c1)=O)C#N)c3)c3,0.0
14126,CO-ADD:0149086,11.19,c(c(N)c1c2[nH]nnn2)c(OC)c(OC)c1,0.0
14127,CO-ADD:0149091,11.19,c1(C(c(ccc(OCC)c2)c2)=O)n3c(nc1N)CCC3,0.0
14128,CO-ADD:0149476,11.18,c1c(c(cc2)ccc2OC)n(c(cc(OC)c3c4OCO3)c4)nn1,0.0
14129,CO-ADD:0149075,11.18,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)ccc(Br)c4)c2)cc1,0.0
14130,CO-ADD:0137904,11.18,COC1=C(/C=C/C(C2=CC=C(OC)C=C2)=O)C=C(OC)C3=C1OCO3,0.0
14131,CO-ADD:0149716,11.18,NC(N=C(N(CC#C)C)C(C#N)=C1)=C1C#N,0.0
14132,CO-ADD:0149725,11.18,NC1=NC(C2=CC=C(C=C2)OC)=CC(C3=CC=CC=C3)=C1C#N,0.0
14133,CO-ADD:0149849,11.18,N=C(C(C1C2=CC([N+]([O-])=O)=CC=C2)(Br)C#N)OC3=C1C(C=CC=C4)=C4C=C3,0.0
14134,CO-ADD:0149320,11.18,c(c(OC)c1\C=C\c(cc2O)ccc2OC)c(OCCO3)c3c1,0.0
14135,CO-ADD:0148671,11.18,c1c(C(CC(=O)N2)c(snc3c4cccc(F)c4)c23)cc(c5c1)OCO5,0.0
14136,CO-ADD:0149007,11.18,c(c1ccc(c(OC)c1)OC)(c(N)on2)c2c3ccccc3,0.0
14137,CO-ADD:0149472,11.18,c1(C(=O)O)c(c(cc2)ccc2OC)n(c(cc3OC)cc(OC)c3OC)nn1,0.0
14138,CO-ADD:0149124,11.18,c1(nnc(Nc(ccc(c23)OCO2)c3)o1)c4nscc4NCc(cccn5)c5,0.0
14139,CO-ADD:0149097,11.18,c1(c2c(C(=O)C(Nc(c3)ccc(OC)c3)=O)c[nH]1)cccc2,0.0
14140,CO-ADD:0149704,11.18,C#CCNC1=NC=CC=N1,0.0
14141,CO-ADD:0149706,11.18,O=C(N1)CCC(C#N)=C1OC,0.0
14142,CO-ADD:0137657,11.18,c1(C(=O)NN=Cc2c(O)ccc(cccc3)c23)nonc1N,0.0
14143,CO-ADD:0137713,11.18,c(c(nc(NCc(cncc1)c1)o2)n2)(c3N)non3,0.0
14145,CO-ADD:0148769,11.17,c(c(c(c1OC)O)O)(c(C(CC(=O)N2)c(snc3c4ccc(cc4)OC)c23)c1)OC,0.0
14146,CO-ADD:0148747,11.17,c12c(C(CC(=O)N1)c3cccc(F)c3)snc2c4cccc(F)c4,0.0
14147,CO-ADD:0148927,11.17,c1(nc(c2n1CC(=O)Nc3c(C)cccc3C)cccc2)c4nonc4N,0.0
14148,CO-ADD:0148847,11.17,C(=O)(Nc(cc1)ccc1OC)c(cc2OC)cc(c2OC)OC,0.0
14149,CO-ADD:0149678,11.17,ClC1=CC(N(CC#C)C)=NC(N)=N1,0.0
14150,CO-ADD:0148572,11.17,O=C(C1=CC(O)=C(O)C=C1O)/C=C/C2=CC=CC=C2O,0.0
14151,CO-ADD:0140026,11.17,CC1=CC=CC=C1NC2=CC=CC=C2C3=CC=C([N+]([O-])=O)C=C3,0.0
14152,CO-ADD:0137718,11.17,c(OC)(c(OC)c1CC=C)c(OC2)c(O2)c1,0.0
14154,CO-ADD:0148719,11.17,C1(=O)c2c(cc(O)cc2C)OC=C1c3ccc(cc3)OC,0.0
14155,CO-ADD:0148767,11.17,c(C(CC1)CCN1)(nc2c(c(OC)c3OC)cc4c3OCO4)on2,0.0
14156,CO-ADD:0148791,11.17,c1(N)c2c(non2)c3c(non3)c1,0.0
14157,CO-ADD:0148832,11.17,c(OC=C(c(c(OC)c(OC)c(OC)c1OC)c1)C2=O)(c23)cc(OC)c(OC)c3,0.0
14158,CO-ADD:0148861,11.17,c1(nc(c2n1Cc(cc3)ccc3Cl)cccc2)c4nonc4N,0.0
14159,CO-ADD:0148973,11.17,n1c2c(oc1c3ccc(c(Cl)c3)OC)ccc(c2)NC(CC(C)C)=O,0.0
14160,CO-ADD:0149125,11.17,c1(nnc(Nc(ccc(OCO2)c23)c3)o1)c4nscc4NCc(ccn5)cc5,0.0
14161,CO-ADD:0149195,11.17,c(OC)(c(OC)c1C(=O)O)c(OC2)c(O2)c1,0.0
14162,CO-ADD:0149079,11.17,c1(C(=O)c2ccc(cc2)F)c(N)c(c(cccc3)n13)C(N)=O,0.0
14163,CO-ADD:0149329,11.17,C(c(c1O2)cc(OC)cc1)(c(cc(OCO3)c3c4OC)c4)C(=C2C5)C(O5)=O,0.0
14164,CO-ADD:0148655,11.16,c1(OC)ccc(n(c(c2C3c(cc(OCO4)c45)c(OC)c5OC)NC(=O)C3)cn2)cc1,0.0
14165,CO-ADD:0148900,11.16,c1(nc(c2n1Cc3cccc(Br)c3)cccc2)c4nonc4N,0.0
14166,CO-ADD:0149326,11.16,COc(c(c(cc(c(OC1)c2)OC1)c2)cc(C(c(ccc(c3)N)c3)=O)c4)c4,0.0
14167,CO-ADD:0149334,11.16,c(cc(OC)cc1)(c1C2c(cc3OC)cc(OC)c3OC)NC(=O)C2,0.0
14168,CO-ADD:0149374,11.16,c(OCO1)(c1c2OC)cc(\C(\C#N)=C\c(cc(OC)c(OC)c3OC)c3)c2,0.0
14169,CO-ADD:0149005,11.16,c1(nc(c2n1Cc3cccc(OC)c3)cccc2)c4nonc4NC(C)=O,0.0
14171,CO-ADD:0148953,11.16,c1(cc(OCO2)c2c3)c3C(CC(=O)N1)c4cccc(OCC)c4,0.0
14172,CO-ADD:0148778,11.16,c(cc1c(c2)OCO1)c2C(CC(=O)N3)c(snc4c5ccc(cc5)OC)c34,0.0
14173,CO-ADD:0148939,11.16,c12c(CCNC1c(cc3OC)cc(c3O)OC)cc(c(OCC)c2)OCC.Cl,0.0
14174,CO-ADD:0148979,11.16,c1(nc(c2n1Cc(ccc(c3OC)C)c3)cccc2)c4nonc4N,0.0
14175,CO-ADD:0149099,11.16,C1(=C(N)Oc(c2C1c(cc3OC)cc(c3OC)OC)cc(OC)cc2)C#N,0.0
14176,CO-ADD:0137902,11.16,COC1=C(/C=C/C(C2=CC=CC=C2)=O)C=C(OC)C3=C1OCO3,0.0
14177,CO-ADD:0149072,11.16,n1c(N)scc1c(ccc(c23)OCCO2)c3,0.0
14178,CO-ADD:0149298,11.16,C(c(cc1OC)cc2c1OCO2)(=O)c(c3)cc(O)c(OC)c3,0.0
14179,CO-ADD:0148673,11.16,c1(c(ns2)c3ccc(cc3)F)c2C(CC(=O)N1)c(cc(OC)c(c45)OCO4)c5OC,0.0
14180,CO-ADD:0148697,11.16,c1(NC(=O)CC2c(cc(c3c4OC)OCO3)c4OC)c2sc(N)n1,0.0
14181,CO-ADD:0137903,11.15,COC1=C(/C=C/C(C2=C(OC)C=CC(OC)=C2)=O)C=C(OC)C3=C1OCO3,0.0
14182,CO-ADD:0149781,11.15,NC(C(C#N)=C1C2=CC=CC=C2)=NC(O)=C1C#N,0.0
14183,CO-ADD:0153076,11.15,NC1=C(CN2N=NC(CCO)=C2)C=NC(C)=N1,0.0
14184,CO-ADD:0153044,11.15,O=C(N([H])C1=CN(C)C(C(N(C2=CN(C)C(C(N([H])CCCN(C)C)=O)=C2)[H])=O)=C1)C3=CC=C(C(O)=O)C=C3.OC(C(F)(F)F)=O,0.0
14185,CO-ADD:0140044,11.15,C=C[C@@]1(C)[C@@H](O)[C@H](C)[C@@]23[C@@H](C(CC2)=O)[C@@](C)([C@@H](CC3)C)[C@H](OC(CO)=O)C1,0.0
14186,CO-ADD:0149579,11.15,C#CCN(CC1=CC2=CC(OCCCCC3CCN(CC4=CC=CC=C4)CC3)=CC=C2N1C)C.Cl,0.0
14187,CO-ADD:0149583,11.15,CC(C(C(OCC)=O)=C1C2=CC=CC=C2)=NC(NC3CCN(CC4=CC=CC=C4)CC3)=C1C#N,0.0
14188,CO-ADD:0153051,11.15,NC1=C(CN2N=NC(CCOS(=O)(C)=O)=C2)C=NC(C)=N1,0.0
14189,CO-ADD:0136437,11.15,n1(C)c(C(OCC)=O)c(C(OCC)=O)nc1SC,0.0
14191,CO-ADD:0136398,11.15,C(C(=NO)C(C)=CC1(C)C(Cl)(Cl)Cl)=C1C,0.0
14192,CO-ADD:0136858,11.15,[H]n1c(CCCCCc2n(c(c(ccc3)n2)c3)[H])nc(ccc4)c1c4,0.0
14193,CO-ADD:0136946,11.15,Clc1c(nc(c(n2CCCN(CCO3)CC3)n1)nc2C(F)(F)F)Cl,0.0
14194,CO-ADD:0136954,11.15,C1(C)(C)C=C(C)c2c(ccc(Cc(cc(c(c3)N4[H])C(C)=CC4(C)C)c3)c2)N1[H],0.0
14195,CO-ADD:0136860,11.15,N(C1=NC(=NCc2occc2)SS1)(C)C.Br,0.0
14196,CO-ADD:0136101,11.15,C(C)(=C)C(Nc1ccc(NC(C)C)cc1)=O,0.0
14197,CO-ADD:0137000,11.15,O(CC)C(c(cc(c(O)cc(c1ccc(S(F)(=O)=O)cc1)n2)c2c3)c3)=O,0.0
14198,CO-ADD:0136777,11.15,c1(cc(c(O)c(Cl)c1)C2N([H])c(cccc3)c3n(cc4)c2c4)Cl,0.0
14199,CO-ADD:0136721,11.15,c1(C)ccc([N+](=O)[O-])cc1NC(Nc(ccc(S(N)(=O)=O)c2)c2)=O,0.0
14200,CO-ADD:0136817,11.15,c1ccc(OC)c(C2OC(=Nc3c(ccc([N+](=O)[O-])c3)N4[H])C4=C2O)c1,0.0
14201,CO-ADD:0137011,11.15,N1=N[C@]2([C@@]([C@](CCC3)(C(C(OC)=O)=C(C(OC)=O)[C@@]23[H])[H])([H])N1c4ccccc4)[H],0.0
14202,CO-ADD:0137051,11.15,o1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(C(=O)c(cc(c3c4)OCO3)c4)c1,0.0
14203,CO-ADD:0137059,11.14,Brc1cc(C(NC(Nc2c(c(ccc2)c(O)cc3)c3)=S)=O)ccc1,0.0
14204,CO-ADD:0136881,11.14,c1(OC)cc(C(=O)C(=O)c(cc(OC)c(O)c2OC)c2)cc(OC)c1O,0.0
14205,CO-ADD:0136897,11.14,Clc1c(c(NC(C(N([H])C2=O)=O)=CN2[H])nc(SC)n1)Br,0.0
14206,CO-ADD:0137009,11.14,C1CCC(N2CN(c3ccccc3)C(=S)N(c4ccccc4)C2)CC1,0.0
14207,CO-ADD:0136114,11.14,c1(O)ccc(N=Nc2nccs2)c(O)c1,0.0
14208,CO-ADD:0135619,11.14,n1cnc(c(c1SCCC)cn2)n2[H],0.0
14209,CO-ADD:0135867,11.14,N1=CN([H])c(c(C1=S)n2)n(C3CCCC3)c2,0.0
14210,CO-ADD:0135764,11.14,C1CCC(NC2=NCCO2)CC1,0.0
14211,CO-ADD:0135876,11.14,n1c(C)nc(NC(=O)c(cccc2)c2)cc1C,0.0
14212,CO-ADD:0137224,11.14,O1C2C(C)(C3(O)C(C(=O)O4)C(C(O)(C)C)C24)C5(C(C3)O5)C1=O,0.0
14213,CO-ADD:0137218,11.14,O=C(C=C(C(C)=C([C@](CC)(C)[H])O1)C2=C1)C(C(O)=O)=C2O,0.0
14214,CO-ADD:0137165,11.14,[H][C@@]([C@](C)(C(O)=O)CCC1)(CCc(c2c3)cc(C(C)C)c3)[C@]12C,0.0
14215,CO-ADD:0135980,11.14,O1c(cccc2)c2c(c(c1ccc3)c3cc4)c4,0.0
14216,CO-ADD:0136333,11.14,O=C(N(C)c(c1C2=O)nc(N3CCOCC3)n1C)N2C,0.0
14217,CO-ADD:0135668,11.13,O=C(N(C)N=C(C(NC)=O)C1=O)N1[H],0.0
14218,CO-ADD:0135893,11.13,n1cccc([As](O)(O)=O)c1,0.0
14219,CO-ADD:0136341,11.13,s1c(c(ccc2)nc1c(ccc(C(C)C)c3)c3)c2,0.0
14220,CO-ADD:0136198,11.13,c1c(c(ccc1)C(c2ccccc2)=O)C(c3ccccc3)=O,0.0
14221,CO-ADD:0136013,11.13,n1ccnc(C(O)=O)c1C(NC(N)=O)=O,0.0
14222,CO-ADD:0135846,11.13,Clc(ccc1)c(Cc(c(O)cc(O)c2)c2)c1,0.0
14223,CO-ADD:0137160,11.13,O(C(COC)=O)c1c(c2ccc(C)cc2C)cc(cc1c3ccc(C)cc3C)OC(COC)=O,0.0
14225,CO-ADD:0136376,11.13,n1([H])c(c2ccccc2)ccc1c3c(ccc4)c(ccn3)c4,0.0
14226,CO-ADD:0135652,11.13,S=C(N=C(N)C(CC)(CC)C1=O)N1[H],0.0
14227,CO-ADD:0135700,11.13,N(C(NCC1)CCN2)(C1NC3)C2C3,0.0
14228,CO-ADD:0135890,11.13,O1CCN=C1NC(CCCCC2)CC2,0.0
14229,CO-ADD:0135986,11.13,O1C(=S)N([H])c(cc(c2ccccc2)c3)c1c3,0.0
14230,CO-ADD:0136442,11.13,n1c(ccc(cccc2)c23)c3c(OCC)cc1C(OCC)=O,0.0
14231,CO-ADD:0135628,11.13,C(NC(CC(C)C)=O)(C)CC,0.0
14232,CO-ADD:0137101,11.13,c1(Cl)cc(c(C(O[H])C2NCCCC2)cc(C(F)(F)F)n3)c3c(Cl)c1.CS(O)(=O)=O,0.0
14233,CO-ADD:0137053,11.13,S(c1cccc(C(c(ccc2)c3c2Sc(ccc4)cc4)=O)c1C3=O)c(ccc5)cc5,0.0
14234,CO-ADD:0136115,11.13,[H]C(/c1ccccc1)=[N+](CC2(O)CCCCC2)/[O-],0.0
14235,CO-ADD:0137195,11.13,c1(O)cc(O[C@H](c2cc(O)c(O)cc2)[C@@H](O)C3=O)c3cc1O,0.0
14236,CO-ADD:0137213,11.13,[C@@H]1(O)C=CC(=O)O[C@@H](C)CCCC=C[C@](C[C@H](O)C2)([C@]12[H])[H],0.0
14237,CO-ADD:0137166,11.12,c1c(C)c(OC(C(C(C(N[C@H](C(N[C@H](C(C)C)C(=O)N([C@H](C(=O)N(C)C2)C3)CC3)=O)[C@H](C)OC(=O)[C@@H](N(C)C2=O)C(C)C)=O)=C(N)C4=O)=N5)=C4C)c5c(C(N[C@H](C(N[C@H](C(C)C)C(=O)N([C@H](C(=O)N(C)C6)C7)CC7)=O)[C@H](C)OC(=O)[C@@H](N(C)C6=O)C(C)C)=O)c1,0.0
14238,CO-ADD:0137244,11.12,c1ccc(C(=O)C2=C(C(C)OC(CC(O)=O)C2)C3=O)c3c1O,0.0
14239,CO-ADD:0136416,11.12,n1c2c(ccc(cccc3)c23)nn1c(c(N)ccc4)c4,0.0
14240,CO-ADD:0136424,11.12,n1c(c(c(N)n2)ncc1C(Cl)(Cl)Cl)n2C,0.0
14241,CO-ADD:0135787,11.12,c1ccc(C(C)=NCC2C)c2c1,0.0
14242,CO-ADD:0136547,11.12,c1c(C(OC(CCCCCC)C)=O)c(C(O)=O)ccc1,0.0
14243,CO-ADD:0136510,11.12,n1cnc2c(ncn2C(C(O)C3O)C=C3CO)c1N,0.0
14244,CO-ADD:0135600,11.12,n1c(c(c(C)nc1C(N)=O)ccc2)c2,0.0
14245,CO-ADD:0137250,11.12,CC1CC(OC12C(C(CC(CC3CCC(C)C(C(C)C(O[H])=O)O3)O2)OC)C)(C4CCC(C5C(CC(C6C(CC(C)C(O[H])(CO[H])O6)C)O5)C)(C)O4)C,0.0
14246,CO-ADD:0137215,11.12,n1c(c(C(N([H])C2=O)=O)nc(cc(C)c3C)c1c3)N2[H],0.0
14247,CO-ADD:0137198,11.12,C1=CC(Oc(c(OC)c(occ2)c23)c1c3)=O,0.0
14248,CO-ADD:0136459,11.12,c1(O)c(C(C)(C)C)cc(C=C(C#N)/C#N)cc1C(C)(C)C,0.0
14249,CO-ADD:0135689,11.12,c1ccc(cnc(cccc2)c23)c3c1,0.0
14250,CO-ADD:0136212,11.12,n1c(c(ccc2)ccc1C=Cc(ccc(N(C)C)c3)c3)c2,0.0
14251,CO-ADD:0136061,11.12,O=C(C=CC(NC(CCl)=O)=C1)C=C1OC,0.0
14252,CO-ADD:0136181,11.12,n1(c(cccc2)c2c(ccc3)c1c3)c(ccc4)c(C(O)=O)c4,0.0
14253,CO-ADD:0136293,11.12,O=[As](O)(O)c1ccc(NC(C)=O)cc1,0.0
14254,CO-ADD:0136309,11.12,Brc(cc(c(N)c1)Br)c1,0.0
14255,CO-ADD:0137042,11.12,ClCCN(C(=O)Oc(cc(CC[C@]([C@@]1(CC2)[H])([C@](CC[C@@H]3O)([C@]23C)[H])[H])c14)cc4)CCCl,0.0
14256,CO-ADD:0137066,11.12,c1(O)ccc(n([H])c(c(C)c(cc[n+](CCN2CCCCC2)c3)c3c4C)c45)c5c1.[O-]C(C)=O,0.0
14257,CO-ADD:0137074,11.12,Clc(cc1c(c(ccc(O)c2C=N/c3ccc(OC)cc3)c2o1)c4Cl)c4O,0.0
14258,CO-ADD:0135698,11.12,c1ccc(c2c(cccc2)n[n+]3[O-])c3c1,0.0
14259,CO-ADD:0135755,11.12,[H]n1c(C=C[N+](=O)[O-])cc(ccc2)c1c2,0.0
14260,CO-ADD:0136606,11.11,N1([H])C(=N/N=C(c(cccc2)c2)/c(ccc3)cc3)C=CC([N+](=O)[O-])=C1,0.0
14261,CO-ADD:0135573,11.11,[H]N1CCN(CCN)CC1,0.0
14262,CO-ADD:0136447,11.11,Fc1ccc(cc1NC(Nc(cc(C)o2)n2)=O)F,0.0
14263,CO-ADD:0135870,11.11,O1COc(cc(C=C/C(O)=O)c2[N+](=O)[O-])c1c2,0.0
14265,CO-ADD:0135863,11.11,N1=C(SC)N([H])C(=C2C1=S)N([H])C(=S)N2[H],0.0
14266,CO-ADD:0135903,11.11,O=C(N(C)c(c1C2=O)nc(C(C)O)n1C)N2C,0.0
14267,CO-ADD:0136803,11.11,c1([N+](=O)[O-])c(C)nc(Sc2c(C#N)c(C)cc(C)n2)c(C#N)c1C,0.0
14268,CO-ADD:0135669,11.11,n1c(c(ccc1N)nc(C)c2C)n2,0.0
14269,CO-ADD:0137022,11.11,c1(c2ccc(Cl)cc2)c(C3=NCCCN3)nnn1c4ccc(Cl)cc4,0.0
14270,CO-ADD:0136747,11.11,c1(C(N)=O)ccccc1NC(Nc(ccc(SC)c2)c2)=O,0.0
14271,CO-ADD:0136772,11.11,O=C(C)c1c2c(C3(C)C(=CC(C(=C(/N)C)C3=O)=O)O2)c(O)c(C)c1O,0.0
14272,CO-ADD:0136804,11.11,C1N=C(NC(C)(C)C)C=C(c2ccccc2)N([H])C1.CS(O)(=O)=O,0.0
14273,CO-ADD:0135938,11.11,C1C(OC(=O)CC2(O)CCCCC2)CCC1,0.0
14274,CO-ADD:0135946,11.11,N1=CN([H])C(O)=C(Nc2ccc(C)c(C)c2)C1=O,0.0
14275,CO-ADD:0136323,11.11,O1c(c(OC)c(OC)cc2)c2C(C=C1c(c3)cccn3)=O,0.0
14276,CO-ADD:0136892,11.11,n1c(N)nc(c(c1SCc2ccccn2)n3)n(C4C(O)C(O)C(CO)O4)c3,0.0
14277,CO-ADD:0136957,11.11,c1ccc(N(C)C(=N/NS(c2cc(N)c(NC(C)=O)cc2)(=O)=O)S3)c3c1,0.0
14278,CO-ADD:0135776,11.11,[H]n1cnc(NC(C(O)=O)=O)n1,0.0
14279,CO-ADD:0135896,11.11,n1cnc(c(c1N(C)C)n2)n(c(cccc3)c3)c2,0.0
14280,CO-ADD:0136251,11.1,O=C(C(c1ccc(O)cc1)=CO2)c(c(O)cc3O)c2c3,0.0
14281,CO-ADD:0136347,11.1,C1(c(c(c(O)c(O)c2O)C(OC(=O)C(O)=C3)=C3O1)c2)=O,0.0
14282,CO-ADD:0136060,11.1,C1C(C(OCC)=O)C(C(O)=O)CC(C)=C1C,0.0
14283,CO-ADD:0136847,11.1,O1CCC(=C/NCCCCCCCCNC=C(/CCO2)C2=O)C1=O,0.0
14284,CO-ADD:0136999,11.1,O=C(C=C(CC[C@]([C@@]1(CC2)[H])([C@](CC[C@@H]3c(cs4)nc4C)([C@]23C)[H])[H])[C@@]15C)CC5,0.0
14285,CO-ADD:0136880,11.1,O(C(=O)c1cccc(ccc2)c1c2C(=O)Oc(ccc3)cc3)c(ccc4)cc4,0.0
14286,CO-ADD:0135960,11.1,n1c(N)ccc(c1N)N=Nc(ccc(OC)c2)c2,0.0
14287,CO-ADD:0136649,11.1,N1(C(=O)C(=C(C(=O)N2CCc(ccc3)c(C2)c3)[H])[H])CCc(cccc4)c4C1,0.0
14288,CO-ADD:0136095,11.1,n1cc(ccc1C)C#CC(C(C)(C)C)(O)C,0.0
14289,CO-ADD:0136336,11.1,Clc1ccc(c(NC(CCN2CC)CC2)cc3)c(c1)n3,0.0
14290,CO-ADD:0136264,11.1,c1c(N)ccc(S(=O)(=O)Nc2cnc(ccc3)c(n2)c3)c1,0.0
14291,CO-ADD:0136272,11.1,o1c(CNC(=O)Nc(cc([N+](=O)[O-])cc2)c2)ccc1,0.0
14292,CO-ADD:0136394,11.1,O1CCOCP1(Oc(ccc([N+](=O)[O-])c2)c2)=O,0.0
14293,CO-ADD:0136498,11.1,O=C(C=Cc1ccccc1)C(C(N(C(=O)N2C)[H])=O)=C2N,0.0
14294,CO-ADD:0136506,11.1,ClC(=CC(C)(CC1)C(=C2C)C(C1C(C)C3=O)O3)C2=O,0.0
14295,CO-ADD:0136217,11.1,O=[As](O)(O)c1ccc(ccc2)c(c2N)c1,0.0
14296,CO-ADD:0136241,11.1,n1c(SC)nc(c(c1)n2)n(C3C(O)C(O)C(CO)O3)c2,0.0
14297,CO-ADD:0136289,11.1,N1(C)CN(C)C(=C1c(ccn2)cc2)c(ccn3)cc3,0.0
14298,CO-ADD:0137238,11.1,O=C(c1c(c(oc1)C(C2=C3[C@H](OC(C)=O)C[C@@](C(=O)CC4)(C)[C@]24[H])=O)[C@]3(C)[C@H]5COC)O5,0.0
14299,CO-ADD:0137275,11.1,N12C(CC3C(C1)CCC(O)C3C(=O)OC)c(c(CC2)c(ccc4)c5c4)n5[H],0.0
14300,CO-ADD:0136509,11.1,C1CCc(c(C(=O)N([H])C(C(=O)OCC)=N2)c2s3)c3C1,0.0
14301,CO-ADD:0136434,11.1,O1CCC(=C/OCCCOC=C(/CCO2)C2=O)C1=O,0.0
14302,CO-ADD:0136546,11.09,Clc(c(ccc1NC(Nc(c(O)ccc2)c2)=O)Cl)c1,0.0
14303,CO-ADD:0136658,11.09,c1cc(cco2)c2c(N=Nc3ccc(N(C)C)cc3)c1,0.0
14304,CO-ADD:0136666,11.09,n1c(cccc2)c2c(Nc(ccc3OCC)cc3)c4c1cccc4,0.0
14305,CO-ADD:0136468,11.09,O1CC1CN2C(N(CC3CO3)C(=O)N(CC4CO4)C2=O)=O,0.0
14306,CO-ADD:0157915,11.09,N/N=C1NC(N2CCOCC2)=NC(N3CCCC3)=N\1,0.0
14307,CO-ADD:0157476,11.09,[O-][N+](C1=C(O)C(/C=N/C2=CC=C(C=C2)C3=NC(C=C4C)=C(C=C4C)O3)=CC(Cl)=C1)=O,0.0
14308,CO-ADD:0157831,11.09,ClC(C(C1=NC(C=C2Cl)=C(C=C2)O1)=C3)=CC=C3/N=C/C4=C(O)C=CC(Cl)=C4,0.0
14309,CO-ADD:0155704,11.09,[O-][N+](CC1=NC(C2=CC=CC=C2)=NN1C3=CC=CC=C3)=O,0.0
14310,CO-ADD:0155728,11.09,O=C1OC(C2=CC=CC=C2F)=N/C1=C\C(C=C3)=CC=C3OCC4=CC=CC=C4,0.0
14311,CO-ADD:0155232,11.09,O=C(CSC1=CC=CC=N1)N/N=C/C2=C(O)C=CC(OC)=C2,0.0
14312,CO-ADD:0155201,11.09,IC1=CC=C(C=C1)C(O2)=NC3=C2C=CC(/N=C/C(C=C4)=CC=C4Cl)=C3,0.0
14313,CO-ADD:0155345,11.09,O=C(C(C=C1)=CC=C1C(C)(C)C)NC2=NC=C(Cl)C=C2,0.0
14314,CO-ADD:0160535,11.09,BrC1=C(O)C(/C=N/C2=C(O)C=CC(CC3=CC=C(O)C(/N=C/C4=C(O)C(Br)=C(O)C(Br)=C4)=C3)=C2)=CC(Br)=C1O,0.0
14315,CO-ADD:0160597,11.09,N#CC(C1(C#N)C#N)(C#N)C2(OC1C=C2)C(C(O)C3(OC4C=C3)C(C#N)(C#N)C4(C#N)C#N)=O,0.0
14316,CO-ADD:0160629,11.09,OC(C1=C2C=CC=C1)=C(C(C=C3)=CC=C3Cl)C(C2=N4)=NC5=C4C=CC=C5,0.0
14317,CO-ADD:0155475,11.09,O=C(N(C(C=C1C)=CC=C1C)N=C/2C)C2=C\NC(C=C3)=CC=C3Cl,0.0
14318,CO-ADD:0156376,11.09,O=C(OCC)C1=C(O)C2=CC=C(Br)C=C2N=C1,0.0
14319,CO-ADD:0156164,11.09,O=C(C1=CNC2=CC=CC=C2C(O)=O)NC(NC1=O)=O,0.0
14320,CO-ADD:0156356,11.09,O=C(/C(C1=C2C(C)=CC(Br)=C1)=N\NC(COC3=C(Cl)C=C(Cl)C=C3Cl)=O)N2C,0.0
14321,CO-ADD:0155613,11.09,O=C(CNC(C=C1)=CC=C1C)N/N=C(C2=CC=CC=C2)\CCC(O)=O,0.0
14322,CO-ADD:0162692,11.09,C(C1)(C2c(ccs3)c3)=C(OC(N)=C2C#N)\C(\CN1C(C)C)=C\c(ccs4)c4,0.0
14323,CO-ADD:0162724,11.09,C(C)(C)(c1ccc(cc1)Oc(cc2)ccc2\N=C/c(cc3)ccc3OCC)c4ccc(cc4)Oc(cc5)ccc5\N=C/c(cc6)ccc6OCC,0.0
14324,CO-ADD:0162712,11.09,N1(c2ccccc2)C(=O)c3c(c4C1=O)c(ccc3)c(cc4)NCc5ccccc5,0.0
14325,CO-ADD:0162632,11.09,C12(c3c(NC1=O)cccc3)C(C(OCC)=O)=C(N)OC(c4ccccc4)=C2C(OCC)=O,0.0
14326,CO-ADD:0162269,11.08,c1(N(CC2)CCO2)nc(N\N=C/c(cc(Br)cc3Br)c3OC)nc(Nc4cccc(Br)c4)n1,0.0
14327,CO-ADD:0161739,11.08,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c(ccc5c6ccc(cc6)Cl)o5,0.0
14328,CO-ADD:0161755,11.08,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c2ccc(cc2Cl)Cl)nc3Nc4ccccc4)n3,0.0
14329,CO-ADD:0162952,11.08,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2S(=O)(=O)CC(c3ccccc3)=O)CC(c4ccccc4)=O,0.0
14330,CO-ADD:0161906,11.08,N1\C(=N\N=C\c(cc2)ccc2OC)\S\C(=C\c(cc3)ccc3I)\C1=O,0.0
14331,CO-ADD:0161651,11.08,C(c1ccccc1)(=O)NC(C)C(=O)N\N=C\C=C\c2ccccc2,0.0
14332,CO-ADD:0163567,11.08,c1(O)c(OCC)cc(cc1Cl)\C=N\NC(=O)c(cccn2)c2,0.0
14333,CO-ADD:0157760,11.08,[O-][N+](C1=CC(/C=N/NC(C2=CC(Br)=CC=C2)=O)=C(Cl)C=C1Cl)=O,0.0
14334,CO-ADD:0157856,11.08,ClC1=CC=C(O)C(/C=N/C2=CC(N=C(C(C=C3)=CC=C3C(C)(C)C)O4)=C4C=C2)=C1,0.0
14335,CO-ADD:0157248,11.08,O=C1/C(N=C(C2=CC=C(Br)C=C2)O1)=C/C(C=C3)=CC=C3C,0.0
14336,CO-ADD:0157113,11.08,[O-][N+](C1=C(O)C(/C=N\C2=CC(C3=NC(C=CC=C4)=C4O3)=C(O)C=C2)=CC=C1)=O,0.0
14337,CO-ADD:0157931,11.08,O=C(OCC)C1=C(C2=CC(OC)=CC=C2OC)C(C(O)([H])CC3(C)C)=C(C3)N=C1C,0.0
14338,CO-ADD:0155306,11.08,S=C(NCC1=CC=CC=C1)OC2=CC(C(NC(C=CC=C3)=C3Cl)=O)=CC=C2,0.0
14339,CO-ADD:0155723,11.08,N#CC1=C(NC(C(C=C2)=CC=C2Br)=O)SC3=C1CCC3,0.0
14340,CO-ADD:0155716,11.08,OC1=C(C=C(C)C(C)=C1)/C=N/C2=CC(N=C(C3=CC=CC=C3)O4)=C4C=C2,0.0
14341,CO-ADD:0160286,11.08,O=C1NC(C)=C(C(OCC)=O)C(N1)C2=CC(Cl)=CC=C2O,0.0
14342,CO-ADD:0160135,11.08,[O-][N+](C(C=C1)=CC=C1C2=CSC(N/N=C\C(C=CC=C3)=C3Cl)=N2)=O,0.0
14343,CO-ADD:0161094,11.08,C(=O)(NCC(=O)N\N=C\c1ccc(cc1OC)OC)c2ccco2,0.0
14344,CO-ADD:0161110,11.08,C(/C(OCC)=O)(=N/c(cc1)ccc1c(cc2)ccc2\N=C(/C(OCC)=O)\C(F)(F)F)\C(F)(F)F,0.0
14345,CO-ADD:0156401,11.08,FC1=C(C=CC=C1)N(C(C2)C(C(OC)=C3)=CC=C3OC)N=C2C(C=C4)=CC=C4Cl,0.0
14346,CO-ADD:0156217,11.08,O=C(C1=CC=C(F)C=C1)O/N=C2C(CC)CCC\2,0.0
14347,CO-ADD:0156357,11.08,O=C(/C(C1=C2C(C)=CC(Br)=C1)=N\NC(COC3=C(OC)C=C(Br)C=C3)=O)N2C,0.0
14348,CO-ADD:0156062,11.08,O=C1OC(C2=CC=CC=C2F)=N/C1=C\C3=CC(OC)=C(OC)C(OC)=C3,0.0
14349,CO-ADD:0156446,11.08,O=C(NC1=CC=C(Br)C=C1)CSC2=NN=C(C)S2,0.0
14350,CO-ADD:0162609,11.08,C(C(OCC)=O)(C1c2ccc(cc2)OC)=C(CSc3nc(C)c(c(C)c3C#N)C)OC(N)=C1C#N,0.0
14351,CO-ADD:0162289,11.08,c1(N(CC2)CCO2)nc(N\N=C(\C)/c3ccc(cc3)F)nc(Nc4cccc(Br)c4)n1,0.0
14352,CO-ADD:0162702,11.08,C(=O)(c1cccc(Br)c1)Nc(ccc(c23)cccc2)c3,0.0
14353,CO-ADD:0162220,11.08,c1(N2CCCC2)nc(N\N=C(/C)\c(cc3)ccc3[N+](=O)[O-])nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
14354,CO-ADD:0162919,11.08,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c(cc2)ccc2\C=N\Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
14355,CO-ADD:0162072,11.08,N(CC1(C)CC2(C)CN3C1)(C2)C3c(cc4)ccc4N(C)C,0.0
14356,CO-ADD:0162110,11.08,S(=O)(=O)(Nc(cc1)ccc1C(O)=O)c(cc(C)cc2S(=O)(=O)c3ccc(cc3)C)c2C,0.0
14357,CO-ADD:0161803,11.08,c1(ccc(\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)o1)c3cc(Cl)ccc3Cl,0.0
14358,CO-ADD:0161987,11.08,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\CCC,0.0
14359,CO-ADD:0163623,11.08,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
14360,CO-ADD:0163647,11.07,c(\C=N\NC(c(cc1)ccn1)=O)(cc(OC)c(c2)OC)c2Cl,0.0
14361,CO-ADD:0163103,11.07,c1(SC)sc2c(ccc(c2)\N=C\c3ccc(cc3Cl)Cl)n1,0.0
14362,CO-ADD:0163241,11.07,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)N\N=C\c(ccc4c5ccc(cc5)Br)o4,0.0
14363,CO-ADD:0163274,11.07,N(=C(/C)\c1ccc(cc1)Cl)/NC(CNc2cccc(C)c2)=O,0.0
14364,CO-ADD:0163042,11.07,S(=O)(=O)(c1ccc(cc1)OC(c2ccccc2)=O)c3ccc(cc3)OC(c4ccccc4)=O,0.0
14365,CO-ADD:0157500,11.07,O=C(NC1=CC(NC(C2=CC=CC=C2Cl)=O)=CC=C1)C(C=CC=C3)=C3Cl,0.0
14366,CO-ADD:0157524,11.07,O=C(NC(C)C)CC(N/N=C(C)/C1=CC=CC(Br)=C1)=O,0.0
14367,CO-ADD:0157788,11.07,O=C(OCC)C(C=C1)=CC=C1/N=C/C2=CC(Br)=CC(I)=C2O,0.0
14368,CO-ADD:0157329,11.07,BrC1=CC=C(C=C1)C(N2CC3=CC=CC=C3)N(CC2)CC4=CC=CC=C4,0.0
14369,CO-ADD:0157896,11.07,O=C(C(C=C1)=CC=C1Br)NC2=NC(C)=CS2,0.0
14370,CO-ADD:0155068,11.07,O=C([C@@H](OCC1=CC=CC=C1)[C@@H](OC)O[C@@H]2CO3)[C@@H]2OC3C(C=C4)=CC=C4OC,0.0
14371,CO-ADD:0155196,11.07,O=C(C1=CC=CC(Cl)=C1)N/N=C/C(N2)=NC3=C2C=CC=C3,0.0
14372,CO-ADD:0155332,11.07,O=C(COC1=CC=CC(C)=C1)NC2=NN=C(C)S2,0.0
14373,CO-ADD:0158376,11.07,O=C(C1=CC(Br)=C(OC)C=C1)N/N=C/C2=CC(I)=C(O)C(OC)=C2,0.0
14374,CO-ADD:0159734,11.07,O=S1(N=C(C(C=C2)=C1C=C2[N+]([O-])=O)N(C)/N=C/C(C=C3)=CC=C3OC)=O,0.0
14375,CO-ADD:0160022,11.07,ClC(C=C1)=C(C=C1/N=C/C2=CC=CC=C2O)C3=NC(C=C4)=C(C=C4C)O3,0.0
14376,CO-ADD:0161126,11.07,c1(ccc(\C=N\NC(=O)\C(=C\c(cc2)ccc2N(CC)CC)\NC(c3ccccc3)=O)o1)c4ccc(cc4Cl)Cl,0.0
14377,CO-ADD:0160159,11.07,O=C(N/N=C/C(C(OCCC)=C1)=CC=C1OCCC)C(C)OC2=CC=C(Cl)C=C2,0.0
14378,CO-ADD:0160655,11.07,O=C(C1=CC=C(C)C=C1)NC(N(CC)CC)C(Cl)(Cl)Cl,0.0
14379,CO-ADD:0159890,11.07,CC1=C(C=CC=C1)/C=N\NC2=NC(N3CCOCC3)=NC(N4CCCC4)=N2,0.0
14380,CO-ADD:0160019,11.07,CCN(CC)C1=NC(N/N=C/C2=CC=C3OCOC3=C2)=NC(NC4=CC=CC=C4)=N1,0.0
14381,CO-ADD:0160035,11.07,OC1=C(C=CC=C1)/C=N/C2=C(C3=CC=CO3)N=C4C=CC=CN24,0.0
14382,CO-ADD:0156226,11.06,O=C(CCCCCCC(N1N=NC2=C1C=CC=C2)=O)N3N=NC4=C3C=CC=C4,0.0
14383,CO-ADD:0155621,11.06,O=C(C1=CC(C)=CC=C1)NC2=CC=C(C=C2)C(NC3=CC=C(C=C3)C(NCCCCCCCCCCC)=O)=O,0.0
14384,CO-ADD:0158750,11.06,O=C(C1=CC=CC(Br)=C1)OC(C(OC)=C2)=CC=C2/C=N/NC(CNC(C3=CC(F)=CC=C3)=O)=O,0.0
14385,CO-ADD:0162332,11.06,c1(OCC(=O)N\N=C\c(cc2)ccc2C(OC)=O)c(Cl)cc(cc1Cl)Cl,0.0
14386,CO-ADD:0162669,11.06,c(C#N)(c1c2cccs2)c(SCc3ccccc3F)nc(N)c1C#N,0.0
14387,CO-ADD:0162325,11.06,N(=C(/C)\c1ccc(cc1)OC)/NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
14388,CO-ADD:0162253,11.06,c1(N(CC2)CCO2)nc(N\N=C(/C)\c3ccc(cc3)Cl)nc(Nc4cccc(Br)c4)n1,0.0
14389,CO-ADD:0162310,11.06,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3cccc(C)c3)=O)o1,0.0
14390,CO-ADD:0162230,11.06,c1(N(CC2)CCN2C)nc(N\N=C\c(cccc3[N+](=O)[O-])c3O)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
14391,CO-ADD:0161239,11.06,[N+](=O)([O-])c1ccc(cc1)\C=C\C(NCC)=O,0.0
14392,CO-ADD:0161184,11.06,c(\C=N\NC(COc(ccc(c1C)C)c1)=O)(c2c([nH]3)cccc2)c3,0.0
14393,CO-ADD:0161748,11.06,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(cc2)ccc2[N+](=O)[O-])nc3Nc4ccccc4)n3,0.0
14394,CO-ADD:0162977,11.06,C(=O)(NCC(=O)N\N=C\c(cc1)ccn1)c2ccc(c(OC)c2)OC,0.0
14395,CO-ADD:0157816,11.06,[O-][N+](C1=C(O)C(/C=N/C2=CC=C(C=C2)C(OCCCC)=O)=CC(C)=C1)=O,0.0
14396,CO-ADD:0157493,11.06,O=C(N/N=C/C(C(OC)=C1)=CC=C1O)C(C=CC=C2)=C2OC,0.0
14397,CO-ADD:0159774,11.06,O=C(C1=CC=CO1)OC2=CC=C(C=C2)C3=NC(C=CC=C4)=C4N=C3,0.0
14398,CO-ADD:0161319,11.06,C1(C2c3cc(Br)ccc3F)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
14399,CO-ADD:0159795,11.06,BrC1=CC=C(OC)C(/C=N/NC2=NC(N3CCCCC3)=NC(N4CCCCC4)=N2)=C1,0.0
14400,CO-ADD:0160579,11.06,O=C(CNC1=CC=CC(Br)=C1)NN=C2CCCCCC2,0.0
14401,CO-ADD:0160086,11.06,O=C(C1)N(C(C=C2)=CC=C2C)CC1C(NC3=CC=CC=C3Br)=O,0.0
14402,CO-ADD:0160486,11.05,O=C(C)NC1=CC=C(C=C1)/N=C/C2=C(Cl)C=C(Cl)C=C2,0.0
14403,CO-ADD:0160043,11.05,OC1=C(C=C(Br)C=C1)C2=NC(C=C3)=C(C4=C3C=CC=C4)C5=C2CCC5,0.0
14404,CO-ADD:0159816,11.05,FC(F)(F)C1=CC=CC(N(C(C2=CC=C(Cl)C=C2)C3)N=C3C4=CC=C(Br)C=C4)=C1,0.0
14405,CO-ADD:0159880,11.05,O=C(C(NCC1=CC=CO1)=O)NC2=CC=CC=C2F,0.0
14406,CO-ADD:0155795,11.05,O=C1N(C(C=C2)=CC=C2C)C(/C=C/C3=CC=CC=C3)=NC4=C1C=CC=C4,0.0
14407,CO-ADD:0156099,11.05,O=C1/C(N=C(C2=CC=CC(Cl)=C2)O1)=C/C3=CC=C(C(OCC)=C3)OC(C)=O,0.0
14408,CO-ADD:0156155,11.05,O=C(/C1=C/C2=CNC3=C2C=CC=C3)N(NC1=O)C4=CC=CC=C4,0.0
14409,CO-ADD:0156355,11.05,O=C(COC(C(Br)=C1)=CC=C1OC)N/N=C(C)/C2=CC=CS2,0.0
14410,CO-ADD:0156371,11.05,[O-][N+](C1=CC(C)=CC(C2=CC=C(/C=N/N3C=NN=C3)O2)=C1C)=O,0.0
14411,CO-ADD:0162671,11.05,c1(SC(C)C(OCC)=O)nc(c2ccccc2)cc(c3ccc(cc3)F)c1C#N,0.0
14412,CO-ADD:0162583,11.05,C(NCCCCCNC(=O)c1ccc(cc1)Cl)(=O)c2ccc(cc2)Cl,0.0
14413,CO-ADD:0162591,11.05,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(Cc2ccccc2)=O,0.0
14414,CO-ADD:0154523,11.05,CN1C2=CC=CC=C2C(C(NN)=O)=C1,0.0
14415,CO-ADD:0154279,11.05,NC1=C(C=C(C(Cl)=N1)C#N)C#N,0.0
14416,CO-ADD:0162462,11.05,N1(C(C)C(=O)OCC(=O)c2ccc(cc2)Br)C(=O)c3c(c4C1=O)c(c5cc3)c(cc4)CC5,0.0
14417,CO-ADD:0161820,11.05,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O)o2,0.0
14418,CO-ADD:0161357,11.05,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(CSc3nc(C)cc(C)c3C#N)OC(N)=C1C#N.Cl.Cl,0.0
14419,CO-ADD:0161173,11.05,c1(O)c(I)cc(cc1I)\C=N\NC(CNC(=O)c2ccco2)=O,0.0
14420,CO-ADD:0161816,11.05,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(CNC(=O)c3ccccc3Br)=O)o2,0.0
14421,CO-ADD:0157213,11.05,O=C(COC1=CC=C(CCCCC)C=C1)N/N=C/C2=C(C=CC=C3)C3=CC4=C2C=CC=C4,0.0
14422,CO-ADD:0163236,11.05,C(NC(CCl)=O)(c1c(cccc1)CC23CCCCC2)=C3C#N,0.0
14423,CO-ADD:0163284,11.05,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c2ccccc2O,0.0
14424,CO-ADD:0157306,11.05,O=C(C1=CC(OC)=C(OC)C(OC)=C1)NC2=NC(C)=CS2,0.0
14425,CO-ADD:0159838,11.05,ClC1=CC=CC(N(C(C(C=C2)=CC=C2Cl)C3)N=C3C4=CC=C(Cl)C=C4)=C1,0.0
14426,CO-ADD:0159910,11.05,O=C(NC1=CC=C(I)C=C1)C2=CC=CO2,0.0
14427,CO-ADD:0160031,11.05,BrC1=CC=C(C=C1)/C(C)=N/NC2=NC(N3CCOCC3)=NC(NC4=CC=CC5=CC=CC=C45)=N2,0.0
14428,CO-ADD:0160017,11.05,[O-][N+](C1=CC2=C(C=C1)N(CNC(C(C)=C3)=CC=C3C)C(O2)=O)=O,0.0
14429,CO-ADD:0159801,11.05,[O-][N+](C1=CC(OC(C=C2)=CC=C2F)=CC(NC(C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)=O)=C1)=O,0.0
14430,CO-ADD:0159765,11.05,O=C1C(Cl)=C(NC2=CC=C(C)C=C2)C(CC(C3=CC=CC=C3)=O)O1,0.0
14431,CO-ADD:0160485,11.05,O=C(N/N=C/C1=C(Cl)C=C(Cl)C=C1)C2=CC=CC=C2O,0.0
14432,CO-ADD:0159829,11.05,[O-][N+](C1=CC(C(C=O)=C(C)N2)=C2C=C1)=O,0.0
14433,CO-ADD:0159813,11.04,BrC1=CC=CC=C1N(C(C(C=C2)=CC=C2F)C3)N=C3C4=CC=C(F)C=C4,0.0
14434,CO-ADD:0156299,11.04,SC1=NN=C(C2(CCCC2)C3=CC=CC=C3)O1,0.0
14435,CO-ADD:0158759,11.04,[O-][N+](C1=CC([N+]([O-])=O)=CC(OC)=C1OCC(N/N=C/C2=CC=CC=C2OC(C3=CC=C(C=C3)[N+]([O-])=O)=O)=O)=O,0.0
14436,CO-ADD:0155592,11.04,O=C(C1=CC=NC=C1)N(C(C2=CC=C(N(C)C)C=C2)(O)C3)N=C3C(OC)=O,0.0
14437,CO-ADD:0158756,11.04,ClC1=CC=C(C=C1)C(O2)=NC3=C2C=CC(/N=C/C(C=C4)=CC=C4OCC5=CC=CC=C5)=C3,0.0
14438,CO-ADD:0155822,11.04,[O-][N+](C(C=C1)=CC=C1/C=N/NC(CSC2=CC=CC=N2)=O)=O,0.0
14439,CO-ADD:0154284,11.04,CC1=NN(C2=CC=CC=C2)C3=C1C4=NC(C5=CC=CC=C5)=NN4C=N3,0.0
14440,CO-ADD:0162875,11.04,S(=O)(=O)(c1ccc(cc1)C)N\N=C\C=C(/O)\c2ccc(cc2)Br,0.0
14441,CO-ADD:0154510,11.04,O=C(/C(N1)=C/C2=CC=CC=C2)NC1=S,0.0
14442,CO-ADD:0154420,11.04,[H]N(C(CC)CC)NC(C1=CNC2=C1C=CC=C2)=O.Cl,0.0
14443,CO-ADD:0154286,11.04,N1(C2=CC=CC=C2)N=CC3=C1N=CN4C3=NC(C5=CC=CC=C5)=N4,0.0
14444,CO-ADD:0162526,11.04,N(\C(=C/c(ccc(c1OC(C)=O)OC(C)=O)c1)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
14445,CO-ADD:0161169,11.04,c1(ccc(\C=N\NC(COc2c(C)cccc2C)=O)o1)c3ccc(cc3Cl)Cl,0.0
14446,CO-ADD:0162013,11.04,S(=O)(=O)(c1ccc(cc1)C)Nc2nc(ccc(c3)C)c3nc2Nc(cc4)ccc4C,0.0
14447,CO-ADD:0157283,11.04,O=C(OC1=CC=C2C=CC=CC2=C1)C(C3)C3C4=CC=CC=C4,0.0
14448,CO-ADD:0157331,11.04,O=C(NC1=CC=C(N)C=C1)C2=CC(C(NC(C=C3)=CC=C3N)=O)=CC=C2,0.0
14449,CO-ADD:0157203,11.04,O=C(C1=CC=CC=C1)NC2=C(C=CC=C2)C(OC/C(C3=CC=C(Br)C=C3)=N/OC(C4=CC=CC=C4)=O)=O,0.0
14450,CO-ADD:0159732,11.04,O=S1(N=C(C(C=C2)=C1C=C2[N+]([O-])=O)N(C)/N=C/C3=CC=C(C(OC)=C3)OC)=O,0.0
14451,CO-ADD:0160052,11.04,O=C(NC1=CC2=C(C=C1)C3=CC=CC=C3O2)C4=CC=C(C)O4,0.0
14452,CO-ADD:0160572,11.04,O=C(C(C)(C)C)NCC1=CC=C(C=C1)CNC(C(C)(C)C)=O,0.0
14453,CO-ADD:0159916,11.04,[O-][N+](C1=CC=C(O)C(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=C(C)C=C4)=C1)=O,0.0
14454,CO-ADD:0160404,11.04,O=C(N/N=C(C)/CC(NCC1=CC=C(C=C1)N(CC)CC)=O)COC2=C(Br)C=C(Br)C(C)=C2,0.0
14455,CO-ADD:0159940,11.04,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC=C(C4=CC=C(C=C4)[N+]([O-])=O)O3)=C(C)N1C,0.0
14456,CO-ADD:0159808,11.03,ClC1=C(C=CC(Cl)=C1)C(C2)N(C3=CC=CC=C3F)N=C2C(C=C4)=CC=C4Br,0.0
14457,CO-ADD:0161079,11.03,c1(OC)c(OC)ccc(\C=N\NC(COc2ccccc2CC=C)=O)c1OC,0.0
14458,CO-ADD:0161095,11.03,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3c(OC)cc(cc3Br)Br)=O)o1,0.0
14459,CO-ADD:0155979,11.03,O=C(OC)C1=CC=C(C=C1)C2NC3=C(C4=CC=CC=C4C=C3)C(CCC5)=C2C5=O,0.0
14460,CO-ADD:0160153,11.03,O=C(C1=CC=CC2=C1C3=CC=C2)N(C(C(C([N+]([O-])=O)=C4)=CC=C4[N+]([O-])=O)=O)C3=O,0.0
14461,CO-ADD:0155582,11.03,O=C(NC1CCCCCCCCCCC1)NC(C=C2F)=C(Cl)C=C2F,0.0
14462,CO-ADD:0155793,11.03,O=C(NC1=NC=CC=C1)C(CC=C2C)C(C2)C(O)=O,0.0
14463,CO-ADD:0155815,11.03,O=C1C2=C(C3=CC=CC=C13)NC(C)=C(C(OC4[C@H](C5)C[C@H]6C[C@@H]4C[C@@H]5C6)=O)C2C(C=CC=C7)=C7F,0.0
14464,CO-ADD:0155823,11.03,O=C(OC)C(C=CC=C1)=C1NC(C/C(C)=N/NC(COC(C=C2)=CC=C2OC)=O)=O,0.0
14465,CO-ADD:0154379,11.03,OCC(N([H])CC1=CC=CC=C1)CC2=CN=CN2,0.0
14466,CO-ADD:0162441,11.03,c1(scc(c2ccc(c(OC)c2)OC)n1)Nc3ccccn3.Br,0.0
14467,CO-ADD:0162793,11.03,C(=O)(N\N=C\c(cc1)ccc1F)C(=O)Nc2ccc(cc2C)C,0.0
14468,CO-ADD:0162825,11.03,c1(cc(Br)ccc1O)C(=O)N\N=C\c(cc2)ccc2OCc3ccccc3Cl,0.0
14469,CO-ADD:0157076,11.03,O=C(C1)C2=C(CC1(C)C)OC(N)=C(C(OCC)=O)/C2=C3NC=CC=C\3.C(=O)O,0.0
14470,CO-ADD:0157100,11.03,[O-][N+](/N=C(N)\N/N=C/C1=CC=C(C2=C(Cl)C=CC([N+]([O-])=O)=C2)O1)=O,0.0
14471,CO-ADD:0157148,11.03,O=C(C(C=CC=C1)=C1C)NC2=CC=C(C=C2)C(N/N=C/C3=CC(Br)=C(O)C=C3)=O,0.0
14472,CO-ADD:0157204,11.03,O=C(NCC1=CC(OCO2)=C2C=C1)NC3=CC=C(OCCCCCCCCCC)C=C3,0.0
14473,CO-ADD:0157228,11.03,[O-][N+](C1=CC=CC(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=C(C)C=C4)=C1O)=O,0.0
14474,CO-ADD:0157277,11.03,Br/C(C1OC(C2=CC=CC=C2)(C3=CC=CC=C3)C(C=CC=C4)=C4N1)=C\C5=CC=CC=C5,0.0
14475,CO-ADD:0160501,11.03,COC1=CC=CC(/N=C/C(C=C2)=CC=C2SCCCCCCCCCCCCCCCC)=C1,0.0
14476,CO-ADD:0160376,11.03,FC(C(F)(F)C1(F)F)(OC(F)1F)C(F)(F)C(NC2=CC([N+]([O-])=O)=CC(NC(C(F)(F)C(OC(F)3F)(F)C(F)(F)C3(F)F)=O)=C2C)=O,0.0
14477,CO-ADD:0159944,11.03,O=C1/C(N=C(C2=CC=CC(I)=C2)O1)=C/C(C=C3)=CC=C3C,0.0
14478,CO-ADD:0160540,11.03,O=C1N(/N=C/C2=CC=C(Cl)C=C2)C(C3=CC=C(Cl)C4=C3C1=CC=C4Cl)=O,0.0
14479,CO-ADD:0159999,11.03,[O-][N+](C1=CC=C(C)C(C2=CC=C(/C=N/C3=CC(C4=NC(C=C5C)=C(C=C5)O4)=C(O)C=C3)O2)=C1)=O,0.0
14480,CO-ADD:0155964,11.03,O=C1C2=C(CCC1)OC(CCC3)=C(C3=O)C2C(C=C4OC)=CC=C4OC,0.0
14481,CO-ADD:0160162,11.03,O=C(COC1=CC=CC=C1)OCC(C(C=C2)=CC=C2Br)=O,0.0
14482,CO-ADD:0160250,11.03,BrC1=CC=C(O)C(/C=N/NC2=NC(N3CCOCC3)=NC(N4CCCC4)=N2)=C1,0.0
14483,CO-ADD:0155444,11.03,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C(C)/C2=CC=C3OCCOC3=C2,0.0
14484,CO-ADD:0158791,11.02,O=C([C@]1(C)C[N@@](C(C(C=C2)=CC=C2Br)[N@](C3)C1)C4)[C@@]43C,0.0
14485,CO-ADD:0155588,11.02,O=C(C1CC2CCCCC2CC1)N3CCN(C)CC3.Cl,0.0
14486,CO-ADD:0158752,11.02,OC(C=C1)=C(C=C1/N=C\C(C=C2)=CC=C2OCC3=CC=CC=C3)C4=NC(C=C5C)=C(C=C5)O4,0.0
14487,CO-ADD:0155802,11.02,O=C(NC1=C2C(C(NC(C3CC3CCCC)=O)=CC=C2)=CC=C1)C4CC4CCCC,0.0
14488,CO-ADD:0155088,11.02,N#CC([C@H](C(C=CC=C1)=C1F)[C@H]2C(C)=O)(C#N)[C@]3([H])N2C(C=CC=C4)=C4C=C3,0.0
14489,CO-ADD:0155848,11.02,[O-][N+](C(C=C1)=CC=C1C(OC2=CC=CC(/C=N/NC(C3=NNC(C4=CC=CC=C4)(C5=CC=CC=C5)C3)=O)=C2)=O)=O,0.0
14490,CO-ADD:0162074,11.02,[C@]1(C#N)(C#N)[C@@H](c2ccccc2Cl)[C@@]3([H])C(C(C#N)=C1N)=CCCC3,0.0
14491,CO-ADD:0162516,11.02,B(C1)(CC2CC1CC3C2)C3.N(C)(C)c(cc4)ccn4,0.0
14492,CO-ADD:0162540,11.02,S(c1ccccc1)(=O)(=O)N(CC2)C(C(NCCc3ccccc3)=O)CN2S(c4ccccc4)(=O)=O,0.0
14493,CO-ADD:0161885,11.02,C(COc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2OCCCCCCCC,0.0
14494,CO-ADD:0163164,11.02,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O,0.0
14495,CO-ADD:0162741,11.02,C1(=O)N(c2ccc(cc2)C)C(=O)\C(\C(=O)N1c3ccc(cc3)C)=C\c(cc4)ccc4OC,0.0
14496,CO-ADD:0163129,11.02,c1(\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)cc(Br)cc(C)c1O,0.0
14497,CO-ADD:0157062,11.02,N#CC([C@@H](C1=CC(Br)=C(F)C=C1)[C@@H]2C(N)=O)(C#N)[C@@]3([H])N2C=CC4=C3C=CC=C4,0.0
14498,CO-ADD:0163634,11.02,C(=N\NC(=O)c1ccc(c2n1)cccc2)(/c(cc(Br)cc3C)c3N4C)\C4=O,0.0
14499,CO-ADD:0163235,11.02,C1(C#N)=C(N)c2c(cccc2)CC13CCCC3,0.0
14500,CO-ADD:0163075,11.02,n1c2c(CCCC2)cc(C#N)c1SCC(=O)c3ccc(cc3)C,0.0
14501,CO-ADD:0158500,11.02,O=C1N=C(N/N=C/C2=CC=C(N(C)C)C=C2)SC1.Cl,0.0
14502,CO-ADD:0158405,11.02,O=C(NC1=CC=C(C=C1)C(NCCCCCCCC)=O)C(C)(C)CC(C)(C)C,0.0
14503,CO-ADD:0160203,11.02,OC1=C(C=CC(/N=C/C2=CC=C(C(OC)=C2)OC)=C1)C3=NC(C=CC=C4)=C4O3,0.0
14504,CO-ADD:0155950,11.02,O=C(ON=C/1C)C1=C/C2=CC=CC=C2OCC=C,0.0
14505,CO-ADD:0160116,11.02,O=C(N/N=C/C1=CC(OC)=C(OC)C(OC)=C1)CSC2=NC(C=CC=C3)=C3N2,0.0
14506,CO-ADD:0161519,11.02,n1c(N)c(C#N)cc(C#N)c1SCc2ccccc2,0.0
14507,CO-ADD:0161527,11.01,C1(N(CC)CC)=CC(OC12CCCCC2)=O,0.0
14508,CO-ADD:0161535,11.01,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\c(ccc(c2OC)OC)c2)Br,0.0
14509,CO-ADD:0155379,11.01,O=C(NCCNC(C(Cl)C1=CC=CC=C1)=O)C(Cl)C2=CC=CC=C2,0.0
14510,CO-ADD:0158535,11.01,O=C(N/N=C/C1=C(Cl)C=C(Cl)C=C1)C(C)OC2=C(C)C=C(Cl)C=C2,0.0
14511,CO-ADD:0158559,11.01,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=CC(F)=CC=C3)=NC(N4CCCCC4)=N2)=O,0.0
14512,CO-ADD:0158660,11.01,CN(C)C1=NC(NCC2=CC=CC=C2)=NC(N/N=C/C3=CC=C(C(OC)=C3)OC)=N1,0.0
14513,CO-ADD:0155775,11.01,COC1=CC=C(C=C1)C2=CSC(NC3=CC=C(OC)C=C3)=N2.Cl,0.0
14514,CO-ADD:0155459,11.01,O=C(N/N=C/C1=CC=C(C(OCC)=C1)O)C2=CC(Br)=CN=C2,0.0
14515,CO-ADD:0155139,11.01,O=C(/C1=C\C(C=C2)=CC=C2NC(C)=O)N(N=C1C)C3=CC=CC=C3,0.0
14516,CO-ADD:0158415,11.01,O=C(N(C1=CC=CC=C1)C2=CC=CC=C2)C(C=C3)=CC=C3NC(C4=CC=CC=C4NC(C5=CC=CC=C5)=O)=O,0.0
14517,CO-ADD:0155852,11.01,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC3=CC(NC(C(C4=CC=CC=C4)C5=CC=CC=C5)=O)=CC(C(O)=O)=C3,0.0
14518,CO-ADD:0155143,11.01,N(C1=C2C=CC=C1)(C3=CC=CC=C3)C4=C2CCC4,0.0
14519,CO-ADD:0156139,11.01,O=C(C1=CC=CC=C1)N/N=C/C2=C(Cl)OC(C3=CC=CC=C3)=C2,0.0
14520,CO-ADD:0155755,11.01,S=C(OC1=CC=CC(C(NC2=CC(C)=C(C)C=C2)=O)=C1)NC3=C(C=CC=C4)C4=CC=C3,0.0
14521,CO-ADD:0154444,11.01,O=C1/C(N=C(C2=CC=CC=C2)O1)=C/C3=CN(C(C)=O)C4=C3C=CC=C4,0.0
14522,CO-ADD:0154303,11.01,NC1=C2C(CCCC2)=NC3=C1C(C4=CC=CC=C4OC)C5=C(O3)C6=C(C=CC=C6)C=C5,0.0
14523,CO-ADD:0162504,11.01,C(=C(/C)\NC1CCCC1)(/C(C)=NN2c(cc3)ccc3[N+](=O)[O-])\C2=O,0.0
14524,CO-ADD:0154459,11.01,CNC(C1=CC2=CC(OC)=CC=C2N1)=O,0.0
14525,CO-ADD:0154491,11.01,O=C1OC(C)=NC1=CC2=CC=C(C=C2)[N+]([O-])=O,0.0
14526,CO-ADD:0154437,11.01,O=C(N([H])N([H])C(C)CCC)CC1=CNC2=C1C=CC=C2,0.0
14527,CO-ADD:0163601,11.01,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2\N=C/c(cc3)ccc3OC(=O)\C=C/c(cc4)ccc4Br)\C=C\c(cc5)ccc5Br,0.0
14528,CO-ADD:0163802,11.01,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CSCc(cc2)ccc2[N+](=O)[O-])=O,0.0
14529,CO-ADD:0163888,11.01,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c3c(cc4c(cccc4)c3)C1=O,0.0
14530,CO-ADD:0163192,11.0,s1c(c(ccc(c23)OCO2)c3)nnc1NC(CCl)=O,0.0
14531,CO-ADD:0163141,11.0,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2ccc(cc2O)O,0.0
14532,CO-ADD:0163701,11.0,c1([nH]c(c2n1)cccc2)Sc3ccc(\C=N\NC(CSCc(cc4)ccc4Br)=O)o3,0.0
14533,CO-ADD:0164003,11.0,O=C(N1N(S(=O)(C2=CC=C([N+]([O-])=O)C=C2)=O)CC(C)C1=O)OC(C)(C)C,0.0
14534,CO-ADD:0157168,11.0,[O-][N+](C1=C(Cl)C=CC(/C=N/NC(C2=CC=CC(O)=C2)=O)=C1)=O,0.0
14535,CO-ADD:0157744,11.0,O=C(N/N=C(C)\CC(NCC1=CC=CN=C1)=O)C2=CC=CS2,0.0
14536,CO-ADD:0157641,11.0,O=C(C1=CC=CC=C1)NC(C2=CC=CC=C2)C(OCC(N=C(C3=CC=CC=C3)O4)=C4COC(C(C5=CC=CC=C5)NC(C6=CC=CC=C6)=O)=O)=O,0.0
14537,CO-ADD:0157929,11.0,O=C(O)CCCCCNC1=NC=NC2=C1OC3=C2C=CC=C3,0.0
14538,CO-ADD:0158364,11.0,O=C(NC1=NC(C)=CC(C)=C1)C2(C[C@H]3C4)C[C@H]4C[C@H](C3)C2,0.0
14539,CO-ADD:0158485,11.0,ClC1=CC(OC)=C(C=C1)/N=C/C2=CC(Br)=CC=C2O,0.0
14540,CO-ADD:0161575,11.0,C(COc(cc1)ccc1F)(=O)N\N=C\c2cccc(Cl)c2,0.0
14541,CO-ADD:0161626,11.0,C(=O)(N\N=C\C(\C)=C\c1ccco1)C(O)(c2ccccc2)c3ccccc3,0.0
14542,CO-ADD:0161067,11.0,s1c(SCC(c2ccccc2)=O)nnc1SCC(c3ccccc3)=O,0.0
14543,CO-ADD:0161091,11.0,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(CNC(=O)c2ccco2)=O,0.0
14544,CO-ADD:0161107,11.0,C(CNc1ccc(cc1Br)I)(=O)N\N=C\c(cc2)ccc2F,0.0
14545,CO-ADD:0161280,11.0,C(C#N)(C1c2ccc(cc2)SC)=C(N)OC(CCCC3=O)=C13,0.0
14546,CO-ADD:0158648,11.0,N#CC1=C(C2=CC=CO2)C3=C(N=C1N)SC(C(C4=CC=C(Cl)C=C4)=O)=C3N,0.0
14547,CO-ADD:0154937,11.0,N#CC1=C(N)OC(C)=C(C(C)=O)C1C2=CC(I)=CC=C2,0.0
14548,CO-ADD:0154821,11.0,O=C(C(C=C1)=CC=C1NC(CC2=CC=CC=C2)=O)NC3=C(Cl)C=C(C=C3)C4=NC(C=C5)=C(C(Cl)=C5NC(C(C=C6)=CC=C6NC(CC7=CC=CC=C7)=O)=O)N4,0.0
14549,CO-ADD:0156042,11.0,O=C(C1=CC=NC=C1)N/N=C/C2=CC=C(C=C2)C(C)(C)C,0.0
14550,CO-ADD:0154791,11.0,O=C(NC1=C(C=CC=C2)C2=CC=C1)C3[C@@H](C4)C=C[C@@H]4[C@@H]3C(O)=O,0.0
14551,CO-ADD:0155849,10.99,[O-][N+](C1=CC(/C(C(N2)=O)=N\NC(CNC3=CC=C4C=CC=CC4=C3)=O)=C2C=C1)=O,0.0
14552,CO-ADD:0155882,10.99,O[C@@]12NC3=NC=NN3[C@H]([C@@H]4O[C@H]2OC4)C1,0.0
14553,CO-ADD:0155933,10.99,O=C(C(C=C1)=CC=C1C(C)(C)C)NCC2=NC=CC=C2,0.0
14554,CO-ADD:0156518,10.99,O=C(CNC1=CC=CC(C)=C1)N/N=C/C(C)=C/C2=CC=C(C=C2)C(C)C,0.0
14555,CO-ADD:0162356,10.99,C(F)(C(F)(F)F)(C(=O)Nc(cc1)ccc1C(=O)Nc2ccc(cc2C)Cl)OC(F)(F)C(F)(F)C(F)(F)F,0.0
14556,CO-ADD:0163836,10.99,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(ccc(c2OCC)OCc3ccccc3)c2,0.0
14557,CO-ADD:0162640,10.99,c1(OC(N)=C(C2c3cc(Br)ccc3OCC)C#N)c2c(nn1c4ccccc4)C,0.0
14558,CO-ADD:0162160,10.99,C(C(OCC)=O)(C1c(cc2)ccn2)=C(CC)NC(CC(C)(C)CC3=O)=C13,0.0
14559,CO-ADD:0163237,10.99,[N+](=O)([O-])c(cc1)cc(c1C(=O)NCc2ccccc2Cl)Cl,0.0
14560,CO-ADD:0163565,10.99,C(=N\NC(Cc(ccc(c12)cccc1)c2)=O)(/C3=O)\c(cc(Br)cc4Br)c4N3,0.0
14561,CO-ADD:0158501,10.99,[O-][N+](C(C=C1/C=N\NC(CNC2=C(C)C=CC(C)=C2)=O)=C(Cl)C=C1Cl)=O,0.0
14562,CO-ADD:0158702,10.99,O=C(NC1CC(NC(C)(C)C1)(C)C)C2(C[C@H]3C4)C[C@H]4C[C@H](C3)C2,0.0
14563,CO-ADD:0157742,10.99,[O-][N+](C1=CC(/C=N/NC(C(NC(C(C)=C2)=CC=C2Cl)=O)=O)=CC=C1)=O,0.0
14564,CO-ADD:0160296,10.99,[O-][N+](C1=C(N(C)C)C=CC(/C=N/NC(CNC(C=CC=C2)=C2OC)=O)=C1)=O,0.0
14565,CO-ADD:0158489,10.99,O=C1OC(C2=CC=CC=C2Cl)=N/C1=C\C3=CC=C(C(C=C4)=CC=C4C(OC)=O)O3,0.0
14566,CO-ADD:0158346,10.99,ClC1=CC=CC(N(C(C2=CC=CC=C2)C3)N=C3C(C=C4)=CC=C4Br)=C1,0.0
14567,CO-ADD:0161312,10.99,c1(c2ccccc2Cl)c(C#N)c(N)nc(SCC)c1C#N,0.0
14568,CO-ADD:0161632,10.99,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
14569,CO-ADD:0161084,10.99,C(=N/NC(COc1c(OC)cc(cc1Br)Br)=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
14570,CO-ADD:0160007,10.99,O=C(OC1=C2C=CC=C1)N2C(C3=CC=CC4=CC=CC=C34)=O,0.0
14571,CO-ADD:0159855,10.98,O=C1/C(SC2=CC=CC=C12)=C\C3=CC(OCC)=C(O)C=C3,0.0
14572,CO-ADD:0161097,10.98,C(=O)(NCC(=O)N\N=C(/C)\c1ccc(cc1)OC)c2ccco2,0.0
14573,CO-ADD:0154844,10.98,BrC1=CC(/C=N/C2=C(C3=CC=CO3)N=C4C=CC=CN24)=C(OC)C=C1,0.0
14574,CO-ADD:0154875,10.98,N#CC(C(C1=CC=C(Br)S1)C(C(OCC)=O)=C(C2=CC=CC=C2)O3)=C3N,0.0
14575,CO-ADD:0154847,10.98,O=C1/C(N=C(C2=CC=CC(C(OC/3=O)=NC3=C/C4=CC=C(C(C)C)C=C4)=C2)O1)=C/C5=CC=C(C(C)C)C=C5,0.0
14576,CO-ADD:0154904,10.98,[O-][N+](C(C=C1[N+]([O-])=O)=C(C=C1)N2N=C(C3=N2)C4=NN(C(C([N+]([O-])=O)=C5)=CC=C5[N+]([O-])=O)N=C4C(C3=N6)=NN6C(C=C7)=C(C=C7[N+]([O-])=O)[N+]([O-])=O)=O,0.0
14577,CO-ADD:0154912,10.98,N#CC([C@H](C(C(Cl)=C1)=CC=C1Cl)[C@H]2C(C3=CC=CC=C3)=O)(C#N)[C@]4([H])N2C5=CC=CC=C5C=C4,0.0
14578,CO-ADD:0155894,10.98,N#CC(C(C(C=CC=C1)=C1C(F)(F)F)C(C2=O)=C(C(C=CC=C3)=C3O2)O4)=C4N,0.0
14579,CO-ADD:0155910,10.98,N#CC1=C(SCC2=CC=C(C=C2)[N+]([O-])=O)NC(C)=C(C(C)=O)C1C(C=CC=C3)=C3[N+]([O-])=O,0.0
14580,CO-ADD:0155918,10.98,[O-][N+](C1=NN2C(C)=CC(C)=NC2=C1[N+]([O-])=O)=O,0.0
14581,CO-ADD:0154335,10.98,NC(N=C(C(C)(C)OS1(=O)=O)C1=C2C3=CC=C(C)C=C3)=C2C#N,0.0
14582,CO-ADD:0162519,10.98,B(CC1CC2CC3C1)(C3)C2.N(CC4)(CCC4[C@@H]5O)C5,0.0
14583,CO-ADD:0154527,10.98,O=C(C1=CNC2=CC=CC=C21)O,0.0
14584,CO-ADD:0154501,10.98,O=C1SC(SCC2=CC=CC=C2)=NC1=CC3=CC=CC=C3,0.0
14585,CO-ADD:0163139,10.98,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
14586,CO-ADD:0163147,10.98,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
14587,CO-ADD:0163109,10.98,C1(=C(O)CC(C)(C)CC1=O)C(c(cc2Cl)cc(c2O)Cl)C3C(=O)CC(CC3=O)(C)C,0.0
14588,CO-ADD:0157913,10.98,[O-][N+](C1=CC(/C=N\NC2=NC(NC3=CC=CC=C3)=NC(NCC4=CC=CC=C4)=N2)=CC=C1)=O,0.0
14589,CO-ADD:0157574,10.98,O=S(N(C)C1=NC(C=CC=C2)=C2N=C1Cl)(C3=CC=C(C)C=C3)=O,0.0
14590,CO-ADD:0157582,10.98,C12=NSN=C1C=C3C(OCCO3)=C2,0.0
14591,CO-ADD:0157474,10.98,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C=C/C3=CC=CC=C3)=NC(N(CC)CC)=N2)=O,0.0
14592,CO-ADD:0158122,10.97,O=C(N/N=C(C)/CC(NC1=CC=CN=C1)=O)C(NC(C=CC=C2)=C2C)=O,0.0
14593,CO-ADD:0157066,10.97,N#CC(C(C)=C1)=C(SCC(NC2=CC(C(F)(F)F)=CC=C2)=O)N=C1C(F)(F)F,0.0
14594,CO-ADD:0158327,10.97,FC(F)(F)C1=CC=CC(N(C(C2=CC=C(Cl)C=C2)C3)N=C3C4=CC=C(F)C=C4)=C1,0.0
14595,CO-ADD:0157425,10.97,O=C(N(CC1=CC=CC=C1)C([C@H]2[C@H]3C(C(OCC)=O)=C4)=O)[C@@H]2[C@H]4C5C(N(CC6=CC=CC=C6)C(C35)=O)=O,0.0
14596,CO-ADD:0158074,10.97,O=C(CCC1=CC=CC=C1)N/N=C/C2=CC=C(C=C2)F,0.0
14597,CO-ADD:0157367,10.97,O=C(C1)N(C(C=CC=C2)=C2C)C(C1SC(N/N=C/C3=CC=C(O)C=C3)=N)=O,0.0
14598,CO-ADD:0161113,10.97,C(=O)(N\N=C\c1cccc(Cl)c1Cl)c2ccc(cc2)OCC,0.0
14599,CO-ADD:0159836,10.97,S=C(NC1=CC=C(C=C1)C(OC)=O)NC(/C=C/C2=CC=C(F)C=C2)=O,0.0
14600,CO-ADD:0159852,10.97,O=C(CSCC(NCC1OCCC1)=O)NC2=CC(C=CC=C3)=C3C=C2,0.0
14601,CO-ADD:0159900,10.97,O=S(C1=CC([N+]([O-])=O)=CC=C1)(NC2=CC=C(C3=CC=CC=C3)C=C2)=O,0.0
14602,CO-ADD:0160048,10.97,O=C(N(C(C=C1)=CC=C1[N+]([O-])=O)C([C@H]2[C@@H]3C45)=O)[C@@H]2[C@@](C=C3)(C6=CC=CC=C6)C5C(N(C(C=C7)=CC=C7[N+]([O-])=O)C4=O)=O,0.0
14603,CO-ADD:0159776,10.97,[O-][N+](C(C=C1)=CC=C1C(OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)=O)=O,0.0
14604,CO-ADD:0158554,10.97,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C(C)=C/C2=CC=CC=C2,0.0
14605,CO-ADD:0158570,10.97,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C(C=C2)=CC=C2O,0.0
14606,CO-ADD:0161189,10.97,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(=O)c2ccccc2O)C(C)(C)C,0.0
14607,CO-ADD:0161749,10.97,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(ccc(c2OC(c3ccccc3)=O)OC(c4ccccc4)=O)c2,0.0
14608,CO-ADD:0161394,10.97,C(=S)(Nc1ccccc1C(=O)Nc(cc2)ccc2N(CC)CC)c3ccccc3Cl,0.0
14609,CO-ADD:0163163,10.97,n1c2c(sc1c3ccc(cc3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4)ccc(C)c2,0.0
14610,CO-ADD:0163171,10.97,C(=N/NC(COc1ccc(cc1Br)OC)=O)(/C2=O)\c(cc(C)cc3Br)c3N2,0.0
14611,CO-ADD:0163198,10.97,N1(c2ccccc2)C(=O)C(CC1=O)Sc(cc3)ccc3C,0.0
14612,CO-ADD:0164006,10.97,O=C(N1N(S(=O)(C2=CC=C([N+]([O-])=O)C=C2)=O)CC(CC3=CC=CC=C3)C1O)OC(C)(C)C,0.0
14614,CO-ADD:0157506,10.97,O=C(C1)N(CC1C2=CC=CC=C2)C(C(C=C3)=CC=C3Cl)=O,0.0
14615,CO-ADD:0157522,10.96,O=C(COC1=CC(C)=CC=C1)N/N=C/C2=CC=C(C=C2)OC(/C=C/C3=CC=CO3)=O,0.0
14616,CO-ADD:0157626,10.96,O=C(C(C=C1)=CC=C1NC(C(C=C2)=CC=C2NC(CCCCCCCCC)=O)=O)N(C(C)C)C(C)C,0.0
14617,CO-ADD:0157746,10.96,OC1=C2N=CC=CC2=C(COC)C=C1CN3CCN(C)CC3,0.0
14618,CO-ADD:0157762,10.96,[O-][N+](C1=CC=C(C(/C=N/NC(CNC2=CC=C(C)C=C2)=O)=C1)F)=O,0.0
14619,CO-ADD:0157778,10.96,IC1=C(O)C(/C=N/C2=CC(N=C(C(C=C3)=CC=C3OC)O4)=C4C=C2)=CC(Br)=C1,0.0
14620,CO-ADD:0157407,10.96,O=C(N/N=C\C1=CNC2=C1C=CC=C2)CC3=NC(C=CC=C4)=C4N3,0.0
14621,CO-ADD:0156883,10.96,O=C(NC1=CC=CC=C1)C2=C(N)C(C(COC)=C3)=C(N=C3C)S2,0.0
14622,CO-ADD:0157395,10.96,[O-][N+](C(C=C1)=CC=C1/C=N/NC2=NC(N3CCOCC3)=NC(N4CCCC4)=N2)=O,0.0
14623,CO-ADD:0156931,10.96,O=C(N/N=C/C(C=CC=C1)=C1F)C2=NON=C2C,0.0
14624,CO-ADD:0157368,10.96,O=C(N/N=C/C1=CC=C(C=C1)Br)CSC2=NC3=CC=CC=C3C=C2,0.0
14625,CO-ADD:0155005,10.96,N#CC1=C(N=C(C)C=C1COC)SCC(C2=CC=C(C=C2)[N+]([O-])=O)=O,0.0
14626,CO-ADD:0160362,10.96,[O-][N+](C1=C(Cl)C=CC(/C=N/NC2=NN=C(C)N2N)=C1)=O.Cl,0.0
14627,CO-ADD:0160458,10.96,FC(C(NC1=CC(C=CC=C2)=C2C=C1)=O)(C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F,0.0
14628,CO-ADD:0160002,10.96,BrC1=CC=C(C=C1)C2=CC=C(/C=N/C3=CC(N=C(C4=CC=C(OC)C=C4)O5)=C5C=C3)O2,0.0
14629,CO-ADD:0160299,10.96,[O-][N+](C1=C(N(C)C)C=CC(/C=N/C2=CC(C)=CC=C2C)=C1)=O,0.0
14630,CO-ADD:0160369,10.96,FC(C(F)(F)C(NC(C)C(O)=O)=O)(F)C(F)(F)C(F)(F)C(NC(C)C(O)=O)=O,0.0
14631,CO-ADD:0158611,10.96,O=S(C1=CC(C(NC2=CC=CC(C(C)=O)=C2)=O)=CC=C1C)(N3CCOCC3)=O,0.0
14632,CO-ADD:0158513,10.95,IC1=CC(/C=N\NC2=NC(N3CCCCC3)=NC(N4CCCCC4)=N2)=C(O)C=C1,0.0
14633,CO-ADD:0158613,10.95,O=C(C1=C2C=CC=C1)N(C(C=C3)=CC=C3C(OCCC(C)C)=O)C2=O,0.0
14634,CO-ADD:0158637,10.95,O=C(OCC)C1=C(NC(CCCCC)=O)SC2=C1CCCC2,0.0
14635,CO-ADD:0155366,10.95,O=C(NC1=C/2C=CC=C1)C2=N\NC(CNC(C=CC=C3)=C3C)=O,0.0
14636,CO-ADD:0163734,10.95,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(ccc(c3C)C)c3)c1,0.0
14637,CO-ADD:0163758,10.95,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C/c2ccc(cc2OCc3ccccc3)OCc4ccccc4,0.0
14638,CO-ADD:0163903,10.95,C1(c2ccccc2)(CC1(Cl)Cl)C(=O)Nc3cccc(cccc4)c34,0.0
14639,CO-ADD:0163749,10.95,C(Oc(cccc1C(=O)Nc(cc2)ccc2I)c1)(=S)NC(C)c3ccccc3,0.0
14640,CO-ADD:0163714,10.95,C(=O)(N\N=C\c1cccc(OC)c1OC)C(=O)Nc2ccc(cc2C)Cl,0.0
14641,CO-ADD:0161174,10.95,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(CNC(=O)c2ccco2)=O)Br,0.0
14642,CO-ADD:0162076,10.95,C(=O)(c(cc1)ccc1C(C)(C)C)NCC(O)=O,0.0
14643,CO-ADD:0162364,10.95,[N+](=O)([O-])c1ccc(c(c1)N\N=C(\C(C)=O)/C(OCC)=O)C,0.0
14644,CO-ADD:0162776,10.95,C(=O)(c1ccccc1C)Nc2ccccc2C(=O)N\N=C(/C)\c3ccc(c4c3)cccc4,0.0
14645,CO-ADD:0162106,10.95,S(=O)(=O)(c(cccc1C(=O)Oc2cccc(cccn3)c23)c1)N(CC4)CCO4,0.0
14646,CO-ADD:0162122,10.95,C(CSCc1ccccc1)(=O)N\N=C/c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
14647,CO-ADD:0163807,10.95,N(=C\c(cc1)ccc1OC(=O)\C=C\c(cc2)ccc2Br)/c3cc(C)ccc3C,0.0
14648,CO-ADD:0163815,10.95,C(=O)(Nc(cc1)ccc1C(OCC)=O)C\C(\C)=N\NC(COc(cc2)ccc2OC)=O,0.0
14649,CO-ADD:0163847,10.95,N(c1ccc(cc1)OC)(C2)Cc(c2cc(c3CN4c5ccc(cc5)OC)C4)c3,0.0
14650,CO-ADD:0163138,10.95,c(\C=N\NC(CNC(=O)c1ccc(cc1)Cl)=O)(cc(Br)cc2Br)c2O,0.0
14651,CO-ADD:0157886,10.95,[O-][N+](C1=CC(Cl)=CC(/C=N/C2=C(O)C=CC(Cl)=C2)=C1O)=O,0.0
14652,CO-ADD:0157926,10.95,OC1=CC(O)=CC=C1/C=N/NC2=NC(N3CCOCC3)=NC(NC4=CC=CC5=C4C=CC=C5)=N2,0.0
14653,CO-ADD:0157463,10.95,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=CC=CC=C3OC)=NC(N(CCCC)CCCC)=N2)=O,0.0
14654,CO-ADD:0157877,10.95,[O-][N+](C1=CC(Cl)=CC(/C=N/C2=CC=C(C=C2)C3=NC(C=C4/N=C/C5=CC(Cl)=CC([N+]([O-])=O)=C5O)=C(C=C4)O3)=C1O)=O,0.0
14655,CO-ADD:0155277,10.94,O=C(S/1)N(CN2CCOCC2)C(C1=C\C(C(Cl)=CC=C3)=C3Cl)=O,0.0
14656,CO-ADD:0157421,10.94,O=C(/C1=C/C2=CC(OCO3)=C3C=C2)N(N=C1C)C4=CC(F)=CC=C4,0.0
14657,CO-ADD:0157654,10.94,N#CC1=C(SCC(OCC)=O)N=C(C2=CC=CS2)C=C1C3=CC=C(F)C=C3,0.0
14658,CO-ADD:0156920,10.94,O=C1/C(C(C2=CC=CC=C2)=NO1)=C\C3=CC=C(C=C3)N(C)C4=CC=CC=C4,0.0
14659,CO-ADD:0157400,10.94,[O-][N+](C(C=C1)=CC=C1C2=CC=C(/C=N/NC3=NC(N4CCOCC4)=NC(N(C)C)=N3)O2)=O,0.0
14660,CO-ADD:0157649,10.94,O=C(NC(C(C=C1)=CC=C1OC)CC(NC2=CC=C(C)C=C2)=O)C(F)(F)F,0.0
14661,CO-ADD:0160414,10.94,OC1=C(C=CC=C1)C2=NC3=C(C=CC=C3)N2CC(C=CC=C4)=C4O,0.0
14662,CO-ADD:0160438,10.94,FC(C(NC1=CC=C(C=C1)C(NCCCCCCCC)=O)=O)(C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F,0.0
14663,CO-ADD:0160465,10.94,O=C(OCC)C(C=C1)=CC=C1NC(CCCC(O)=O)=O,0.0
14664,CO-ADD:0161291,10.94,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(CSc3nc(CC)c(cc3C#N)C)OC(N)=C1C#N,0.0
14665,CO-ADD:0160628,10.94,O=C(C1=CC=CC=C1)N/N=C2C3=NON=C3CCC\2,0.0
14666,CO-ADD:0155513,10.94,O=C(N1CCOCC1)/C(NC(C)=O)=C\C2=CC=C(OC)C=C2,0.0
14667,CO-ADD:0158577,10.94,O=C(COC1=CC=CC=C1OC)N/N=C/C2=CC3=C(C=C2Cl)OCO3,0.0
14668,CO-ADD:0156071,10.94,[O-][N+](C(C=CC=C1)=C1OCC(N/N=C/C(C=C2)=CC=C2OC)=O)=O,0.0
14669,CO-ADD:0156111,10.94,OC(N(C1=CC=CC=C1)N=C2C)=C2/C=N/NC(C(C3=CC=CC=C3)C4=CC=CC=C4)=O,0.0
14670,CO-ADD:0163730,10.94,C(=O)(c1ccc(cc1)\C=N\c(cc2)ccc2Cc(cc3)ccc3\N=C\c(cc4)ccc4C(=O)Oc5ccccc5Cl)Oc6ccccc6Cl,0.0
14671,CO-ADD:0163435,10.94,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(=O)\C(=C/c(cc3)ccc3N(CC)CC)\NC(c4ccccc4)=O)o2)c1,0.0
14672,CO-ADD:0163934,10.94,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc2ccccn2)c3ccc(cc3C)Cl,0.0
14673,CO-ADD:0163955,10.93,C(=C/c(cc1)ccc1[N+](=O)[O-])(/C(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])\C(=O)N\N=C\c(cc3)ccc3[N+](=O)[O-],0.0
14674,CO-ADD:0163731,10.93,C(=O)(Nc(cc1)ccc1C(OCC)=O)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O,0.0
14675,CO-ADD:0163355,10.93,c1(OC)c(OC)cc(cc1OC)\C=N\NC(COc2ccc(cc2Br)OC)=O,0.0
14676,CO-ADD:0162410,10.93,C(=O)(c1ccc(cc1)NC(CCCCC)=O)Nc(cc2)ccc2C(C)=O,0.0
14677,CO-ADD:0162146,10.93,C(=O)(Nc(cc1)ccc1CC)C(NCCCC)=O,0.0
14678,CO-ADD:0162434,10.93,c1(Nc(cc2)ccc2OC)c(c(C)nc(N\N=C\c3cc(OC)ccc3OC)n1)[N+](=O)[O-],0.0
14679,CO-ADD:0162391,10.93,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C(/C)\c2ccc(cc2)Br,0.0
14680,CO-ADD:0162136,10.93,C(=O)(NC(CO)C(OC)=O)C(C(C)O)NC(OCc1ccccc1)=O,0.0
14681,CO-ADD:0163146,10.93,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
14682,CO-ADD:0162254,10.93,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3OC)nc(Nc4cccc(Br)c4)n1,0.0
14683,CO-ADD:0163994,10.93,O=C(N1N(S(=O)(C2=CC=C([N+]([O-])=O)C=C2)=O)C(C)C(C)C1O)OC(C)(C)C,0.0
14684,CO-ADD:0163590,10.93,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)C)CC(=O)N\N=C\c(cc3)cc(c3N(C)C)Br,0.0
14685,CO-ADD:0163231,10.93,N1\C(=N/N=C\c(cc2)ccc2Cl)\S\C(=C\c3ccccc3)\C1=O,0.0
14686,CO-ADD:0163239,10.93,C1(=O)N(\N=C\c(cc2)ccc2[N+](=O)[O-])C(C)=CC(C)=C1C(N)=O,0.0
14687,CO-ADD:0157920,10.93,FC1=CC=CC(/C=N/NC2=NC(NC3=CC=CC=C3)=NC(NC4=C(C)C=C(C)C=C4)=N2)=C1,0.0
14688,CO-ADD:0157473,10.93,[O-][N+](C1=CC(/C=N/NC(COC(C=CC=C2)=C2Br)=O)=C(N3CCOCC3)C=C1)=O,0.0
14690,CO-ADD:0157112,10.93,[O-][N+](C1=C(O)C(/C=N\C2=CC(C3=NC(C=CC=C4)=C4O3)=C(O)C=C2)=CC([N+]([O-])=O)=C1)=O,0.0
14691,CO-ADD:0158089,10.93,[O-][N+](C1=CC(C(OC2=CC=CC(/C=N/C(C=C3)=CC=C3Cl)=C2)=O)=CC([N+]([O-])=O)=C1)=O,0.0
14692,CO-ADD:0157388,10.93,[O-][N+](C(C=C1/N=C/C=C/C2=CC=CC=C2)=CC=C1C)=O,0.0
14693,CO-ADD:0157412,10.93,O=C(COC1=CC(C=CC=C2)=C2C=C1)N/N=C/C3=CC=C(C(OCC)=C3)O,0.0
14694,CO-ADD:0154990,10.93,N#CC1(C#N)C2N([C@@H](C(C3(C[C@H]4C5)C[C@H]5C[C@H](C4)C3)=O)[C@@H]1C6=CC=C(F)C=C6)C=CC7=C2C=CC=C7,0.0
14695,CO-ADD:0155670,10.93,[O-][N+](C1=C(O)C(/C=N\C2=CC(C3=NC(C=C4C)=C(C=C4C)O3)=C(O)C=C2)=CC=C1)=O,0.0
14696,CO-ADD:0160244,10.93,[O-][N+](C1=C(/C=C/C2=CC=C(C=C2)[N+]([O-])=O)N=C(N=C1O)O)=O,0.0
14697,CO-ADD:0161628,10.93,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c4ccccc4O,0.0
14698,CO-ADD:0161453,10.93,[n+]12n([n-]c(C)c1C(OCC)=O)c(c(C)n2)C(OCC)=O,0.0
14699,CO-ADD:0161133,10.93,c(\C=N\NC(COc1cccc(Cl)c1)=O)(cc(OC)c(c2)OC)c2OC,0.0
14700,CO-ADD:0161321,10.93,C(C#N)(=C(N)SC(=C1C#N)N)C1c2cc(Br)ccc2OCC.[Na+],0.0
14701,CO-ADD:0161098,10.93,N1(c2ccc(cc2)\C=C\C(c3ccccc3)=O)C(=O)c4c(cc(cc4)Oc(ccc(c5C6=O)C(N6c7ccc(cc7)\C=C\C(c8ccccc8)=O)=O)c5)C1=O,0.0
14702,CO-ADD:0156127,10.93,O=C(N/N=C/C1=CC(OC)=CC=C1)C(NC(C=CC=C2)=C2Cl)=O,0.0
14703,CO-ADD:0156211,10.92,[O-][N+](C1=CC=C(C=C1)C(S2)(C)N(C(C)=O)N=C2NC(C)=O)=O,0.0
14704,CO-ADD:0156444,10.92,[O-][N+](C1=CC=CC(NC(CSC2=NN=NN2C)=O)=C1)=O,0.0
14705,CO-ADD:0154802,10.92,N#CC1=C(SCC(O)=O)N=C(C2=CC=CC=C2)C=C1C3=CC=CC=C3,0.0
14706,CO-ADD:0163703,10.92,C(NCCOc(cc1)ccc1OC)(=O)C(c2ccccc2)c3ccccc3,0.0
14707,CO-ADD:0163735,10.92,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2cccc(Cl)c2,0.0
14708,CO-ADD:0163767,10.92,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)c(cc3)ccc3N(C)C,0.0
14709,CO-ADD:0163948,10.92,[N+](=O)([O-])c1ccccc1C(=O)NCc2ccco2,0.0
14710,CO-ADD:0162445,10.92,C(=N\NC(COc1ccccc1OC)=O)(/c(cc(C)cc2)c2N3C)\C3=O,0.0
14711,CO-ADD:0162868,10.92,N1(c2ccc(cc2)\C=C\C(c3ccccc3)=O)C(=O)c(c4C1=O)ccc(c4)C(=O)Oc(cc5)ccc5C6(c7ccc(cc7)OC(=O)c(ccc(c8C9=O)C(N9c%10ccc(cc%10)\C=C\C(c%11ccccc%11)=O)=O)c8)c%12c(c(cccc%13)c6%13)cccc%12,0.0
14712,CO-ADD:0162812,10.92,c1(c(C)cc(cc1C)C)NC(=O)C\C(\C)=N\NC(=O)c2cccc(I)c2,0.0
14713,CO-ADD:0163790,10.92,C1(NNC(=O)c2ccc(cc2)O)OC(CO)C(C(O)C1O)O,0.0
14714,CO-ADD:0161910,10.92,C1(=O)N(C)c(c2N1C)ccc(c2)\N=C\c(ccc3c4ccc(cc4Cl)Cl)o3,0.0
14715,CO-ADD:0161881,10.92,C(=O)(c1cccc(cccc2)c12)Nc3ccc(cc3Cl)Cc(cc4)cc(c4NC(=O)c5cccc(cccc6)c56)Cl,0.0
14716,CO-ADD:0161999,10.92,n1(C(C)=O)c(cc2)c(cc1CN(CC3)CCO3)cc2[N+](=O)[O-],0.0
14717,CO-ADD:0155686,10.92,N#C/C(C1=NC(C=C2)=C(C=C2C)N1)=C/C(C=C3)=CC=C3Br,0.0
14718,CO-ADD:0155182,10.92,O=C(N/N=C/C(C(Cl)=C1)=CC=C1Cl)CCN2N=NC3=C2C=CC=C3,0.0
14719,CO-ADD:0158078,10.92,O=C(/C=C/C(C=C1)=CC=C1Br)OC2=CC=CC=C2/C=N\C(C=C3)=CC=C3C,0.0
14720,CO-ADD:0157694,10.92,O=C(C1)N(C2=CC=C(C)C=C2)CC1C(NC3=CC=CC(Br)=C3)=O,0.0
14721,CO-ADD:0157734,10.91,[O-][N+](C(C=C1)=CC=C1C(N(CCC2)C2C(N/N=C/C3=C(O)C=CC4=C3C=CC=C4)=O)=O)=O,0.0
14722,CO-ADD:0157406,10.91,N#CC1=C(O)OC(C=C(N)C=C2)=C2C1C(C(Cl)=C3)=CC=C3Cl,0.0
14723,CO-ADD:0161514,10.91,C(=O)(c1ccc(cc1)Cl)NCC(OCC)=O,0.0
14724,CO-ADD:0161581,10.91,c1(Br)c(Cl)c(Br)cc(Br)c1OCC(=O)N\N=C(/C)\c2ccc(cc2)F,0.0
14725,CO-ADD:0161589,10.91,c1(\C=N\NC(=O)CCOc2cccc(Br)c2)c(O)ccc(cccc3)c13,0.0
14726,CO-ADD:0154834,10.91,[O-][N+](C(C=C1)=CC=C1C(N2)=C(C(C=C3)=CC=C3OC4=CC=C(C=C4)C5=C(C6=CC=C(C=C6)[N+]([O-])=O)N=C(C(C=C7)=CC=C7OC)N5)N=C2C8=CC=C(OC)C=C8)=O,0.0
14727,CO-ADD:0154842,10.91,O=C(C1=CC=C(Br)C=C1)NC2CC(CC(C)C2)(C)C,0.0
14728,CO-ADD:0156375,10.91,[O-][N+](C(C=C1)=C(NCCCO)C=C1N2CCCCC2)=O,0.0
14729,CO-ADD:0156415,10.91,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1N/N=C(C2=CC=CC=C2)/C=C/C3=CC=C(OC)C=C3)=O,0.0
14730,CO-ADD:0163768,10.91,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3ccccc3)C(=O)Oc(cc4)ccc4\C=N\c5ccccc5,0.0
14731,CO-ADD:0163909,10.91,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
14732,CO-ADD:0163921,10.91,C1(c2c(ccc(cccc3)c23)NC4c5ccc(cc5OC)OC)=C4CC(C)(C)CC1=O,0.0
14733,CO-ADD:0162683,10.91,C(C(OCCOC)=O)(C1c2ccc(cc2)Br)=C(N)OC(CCCC3=O)=C13,0.0
14734,CO-ADD:0162699,10.91,[N+](=O)([O-])c1ccc(cc1)NC(COc2ccc(cc2Cl)Cl)=O,0.0
14735,CO-ADD:0162652,10.91,c(C#N)(cc(C(C)=O)c(n1)C)c1SCC(OCc2ccccc2)=O,0.0
14736,CO-ADD:0161676,10.91,C(COc1cccc(Cl)c1)(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
14737,CO-ADD:0161724,10.91,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2ccc(cc2Cl)Cl)=O)c3ccccc3Cl,0.0
14738,CO-ADD:0161658,10.91,N(=C(/CC)\c1ccccc1)/NC(CCc(cc2)ccc2OC)=O,0.0
14739,CO-ADD:0161674,10.91,N(=C(/C)\c1ccc(cc1)Br)/NC(CCc(cc2)ccc2OC)=O,0.0
14740,CO-ADD:0162822,10.91,C(=O)(N\N=C\c(cc1)ccc1OCCCCCCC)c2ccc(cc2)OCCCCCCCCCC,0.0
14741,CO-ADD:0162826,10.91,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc3ccccc3Oc4ccccc4)Nc5ccccc5Oc6ccccc6,0.0
14742,CO-ADD:0161949,10.91,c1(cc(ccc1C(=O)N\N=C\c2ccccc2O)[N+](=O)[O-])[N+](=O)[O-],0.0
14743,CO-ADD:0161965,10.91,c1(\C=N\NC(CNc(cc2)ccc2C)=O)cc(OC)ccc1O,0.0
14744,CO-ADD:0161840,10.91,C(=O)(NCC(=O)N\N=C\c(cc1)ccc1OCc2ccccc2)c3ccc(c(OC)c3)OC,0.0
14745,CO-ADD:0161715,10.9,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(ccc2c(cc3)ccc3[N+](=O)[O-])o2,0.0
14746,CO-ADD:0157499,10.9,O=C(C1=CC=CC=C1)N/N=C/C2=C(OCCC)C=C(OCCC)C=C2,0.0
14747,CO-ADD:0157136,10.9,O=C(NC1=CC=CC(C)=C1)C(C2)(C3=CC=CC=C3)C2(Cl)Cl,0.0
14748,CO-ADD:0156984,10.9,S=C1N(C(C=CC=C2)=C2N1[C@@H](C3)[C@@H](CO4)O[C@@H]4C3=O)[C@@H](C5)[C@@H](CO6)O[C@@H]6C5=O,0.0
14749,CO-ADD:0157503,10.9,O=C(C1=CC=CC=C1)NC2=CC(Cl)=C(NC(COC3=CC=CC=C3C)=O)C=C2OC,0.0
14750,CO-ADD:0154999,10.9,[O-][N+](C(C=C1)=CC=C1C(C2=C(N)C(C(C(F)(F)F)=CC(C3=CC=CS3)=N4)=C4S2)=O)=O,0.0
14751,CO-ADD:0155679,10.9,[O-][N+](C(C=C1)=CC=C1C(OC(C=C2)=CC=C2/C=N/NC(C3C(C4=CC=CC=C4)(C5=CC=CC=C5)C3)=O)=O)=O,0.0
14752,CO-ADD:0155031,10.9,N#CC([C@H](C1=CC=CC=C1OC)[C@H]2C(C3=CC=CC=C3)=O)(C#N)[C@]4([H])N2C(C=CC(Cl)=C5)=C5C=C4,0.0
14753,CO-ADD:0161613,10.9,c1(C(=O)N\N=C/c2cc(Br)ccc2O)nonc1N,0.0
14754,CO-ADD:0160507,10.9,[O-][N+](C1=CC=C(C(/C=N/NC(COC2=C(Br)C=C(Br)C=C2Br)=O)=C1)N(C)C3CCCCC3)=O,0.0
14755,CO-ADD:0160462,10.9,ClC1=CC(Cl)=CC=C1/C=N/C2=CC=C(C)C=C2,0.0
14756,CO-ADD:0160411,10.9,O=C(N/N=C(C)/CC(NCC1=CC=CO1)=O)COC2=C(Br)C=C(Br)C(C)=C2,0.0
14757,CO-ADD:0160419,10.9,O=C(C(C=C1)=CC=C1NC(CCCCCC)=O)N/N=C/C2=C(O)C=CC(OC)=C2,0.0
14758,CO-ADD:0160435,10.9,O=C(CNC1=CC=CC(C)=C1)N/N=C/C2=CC=C(C=C2)N(CC)CC,0.0
14759,CO-ADD:0154862,10.9,O=C(N1CC)N(CC)C(C2=C1C=CC=C2)=O,0.0
14760,CO-ADD:0154755,10.9,O=C(NC1=CC=CC(C)=C1)C2=C(N)C=NN2C,0.0
14761,CO-ADD:0162224,10.9,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3N(CC)CC)nc(Nc4cccc(Br)c4)n1,0.0
14762,CO-ADD:0162328,10.9,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O)o1,0.0
14763,CO-ADD:0162596,10.9,n(c1c(CCCCCC1)cc2C#N)c2SCC(OCc3ccccc3)=O,0.0
14764,CO-ADD:0162525,10.9,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2Cl)=O)N3CCCC3)c1,0.0
14765,CO-ADD:0154319,10.9,NC1=C2C(CCC2)=NC3=C1C(C4=CC(OC)=C(O)C=C4)C5=C(O3)C=CC6=C5C=CC=C6,0.0
14766,CO-ADD:0162991,10.9,c1(OCC(=O)N\N=C\c(cc2)ccc2OC(=O)\C=C\c3ccco3)c(OC)cc(cc1Br)Br,0.0
14767,CO-ADD:0161214,10.9,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)N(CC4)CCO4)n2,0.0
14768,CO-ADD:0161657,10.9,C(COc(cc1)ccc1I)(=O)N\N=C\c(cc2)ccc2OCCCCCCCC,0.0
14769,CO-ADD:0161847,10.9,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\C(\C)=C\c(ccc(c4OC)OC)c4,0.0
14770,CO-ADD:0243528,10.9,COc(ccc(C(C(c1c(OC)c(OCO2)c2c(OC)c1)=O)C#N)c3)c3,0.0
14771,CO-ADD:0243536,10.89,c(c1C2C(C(=O)OCC)C(=O)NC2)c(OC)c(OCO3)c3c1OC,0.0
14772,CO-ADD:0243552,10.89,c(c(c(c(cc1)ccc1OC)c(N)[nH]2)n2)(c3)cc(OCO4)c4c3OC,0.0
14773,CO-ADD:0243188,10.89,c(\C=N\NC(=O)N)(c1OC)c(CCC)c(OC)c2c1OCO2,0.0
14774,CO-ADD:0243415,10.89,c(OC)(c(OC)c(C=O)c1)c(OC)c1OC,0.0
14775,CO-ADD:0245800,10.89,c(c1c(s2)CCC1)(C3=O)c2N=C(SCc(ccc(c4[N+](=O)[O-])F)c4)N3c5ccccc5,0.0
14776,CO-ADD:0241355,10.89,S(=O)(=O)(N(CC)CC)c(c(C)ccc1S(=O)(=O)c(ccc(c2S(=O)(=O)N(CC)CC)C)c2)c1,0.0
14777,CO-ADD:0241373,10.89,[N+](=O)([O-])c1cc(ccc1OC)\C=N\Nc2ccc(c3n2)cccc3,0.0
14778,CO-ADD:0245947,10.89,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccccc4,0.0
14779,CO-ADD:0245797,10.89,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2OC)nnc1c3ccc(cc3)OC,0.0
14780,CO-ADD:0241299,10.89,N(\C(=N/c1cccc(C)c1)\C2(N3c4ccc(cc4)C)CCCC2)=C3SC.I,0.0
14781,CO-ADD:0244003,10.89,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)O\C(=N\C2CCCCC2)\NC3CCCCC3)/CC\C=C(/C)\C)\[C@@H](OC(=O)C)C4)[C@]45C)[C@]5(C)CC6)C6[C@H](C)[C@@H]1O,0.0
14782,CO-ADD:0236952,10.89,O=C(C1=CC(OC)=CC=C1CC/2)C2=CC3=CC=CN=C3Cl,0.0
14783,CO-ADD:0241456,10.89,c1(N(C)C)nc(N\N=C\c2ccc(cc2OC)OC)nc(Nc(cc3)ccc3F)n1,0.0
14784,CO-ADD:0242850,10.89,C(C#N)(C1c2ccc(cc2)OCC)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
14785,CO-ADD:0242986,10.89,[N+](=O)([O-])c1ccc(cc1)N\N=C\c(ccc(c2OC)OCc3cccc(Br)c3)c2,0.0
14786,CO-ADD:0241580,10.89,c1(ccc(C(=O)NCc2ccccc2)o1)C(c3ccccc3)=O,0.0
14787,CO-ADD:0245839,10.89,P(OCC)(OCC)(=O)O\C(\OC)=C\C=C(\Cl)/Cl,0.0
14788,CO-ADD:0245813,10.89,N1(C(=O)c(c2C1=O)ccc(c2)C(=O)NC(=CNC(N3)=O)C3=O)C4=CNC(NC4=O)=O,0.0
14789,CO-ADD:0241387,10.89,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\N=C\c(ccc(c3[N+](=O)[O-])OC(=O)c4ccc(cc4)OC)c3,0.0
14790,CO-ADD:0245930,10.89,C1(CI)(CC2(O3)CCCCC2)C3(CI)CC4(CCCCC4)O1,0.0
14791,CO-ADD:0246115,10.88,c1(Br)c2c(cccc2)ccc1OC(CC)C(=O)N\N=C\c3cc(OC)ccc3OC(C)=O,0.0
14792,CO-ADD:0242845,10.88,N1(c2ccccc2)C(=S)c3c(C(c(cc4)ccc4C(C)C)=N1)cccc3,0.0
14793,CO-ADD:0242851,10.88,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
14794,CO-ADD:0241044,10.88,[N+](=O)([O-])c1c(NCCOc(ccc(c2C)C)c2)ccc(c1)C(F)(F)F,0.0
14795,CO-ADD:0244254,10.88,c1(\C=N\NC(CCC(=O)Nc2ccccc2C)=O)cc(OC)ccc1OC,0.0
14796,CO-ADD:0241053,10.88,C1(C(OC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(OCC)=O)=O,0.0
14797,CO-ADD:0245739,10.88,n1(nnc(C(=O)N\N=C\c(ccc(c23)OCO2)c3)c1CN4CCCCC4)c5nonc5N,0.0
14798,CO-ADD:0240987,10.88,c1(nnc(CCC)s1)NC(=O)c2ccccc2I,0.0
14799,CO-ADD:0241008,10.88,N1(c(cc2)ccc2S(=O)(=O)Nc3cccc(Br)c3)C(=O)c(c4C1=O)cccc4,0.0
14800,CO-ADD:0245672,10.88,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C(/C)\c2cccs2,0.0
14801,CO-ADD:0244636,10.88,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])OC(C)=O)c1)c(ccc(c2[N+](=O)[O-])OC(C)=O)c2,0.0
14802,CO-ADD:0243127,10.88,c(OCO1)(c2OC)c1c(OC)c(c2\C=N\NC(=O)c3ccccc3O)CCC,0.0
14803,CO-ADD:0243135,10.88,c12c(cc(CC(CC(=N3)CNCCc4cccs4)O3)cc1OC)OCO2.Cl,0.0
14804,CO-ADD:0243039,10.88,c(C#[N+][O-])(c(Cl)c1OC)c(Cl)c(c12)OCO2,0.0
14805,CO-ADD:0243600,10.88,c1c(C)nc2c(c(n(ccc3)c3)c(C(=O)N\N=C\c(c(OC)c4c(OCO4)c5OC)c5CC(CC(c(cc6)ccc6OC)=N7)O7)s2)c1COC,0.0
14806,CO-ADD:0243398,10.88,COc(c(c(c1O2)OC2)OC)c(c(c(c(n3)c4)cc(c4OC5)OC5)c(c3C6)C(O6)=O)c1,0.0
14807,CO-ADD:0243599,10.88,c1(c(OCO1)c(OC)cc2C(=O)NCc(ccc(OC)c3O)c3)c2OC,0.0
14808,CO-ADD:0243615,10.88,c(\C=N\NC(=O)N)(c1[N+](=O)[O-])cc(OCO2)c2c1OC,0.0
14809,CO-ADD:0243919,10.88,C(C)(=C1)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)NCCc4c(ccc5)c(c5)[nH]c4)=C1O,0.0
14810,CO-ADD:0244279,10.88,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2I)c3ccccc3Cl,0.0
14811,CO-ADD:0242935,10.88,N(/Nc1ccccc1)=C(/C)\c(cc2)ccc2c3ccccc3,0.0
14812,CO-ADD:0244246,10.88,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c2ccccc2OC(=O)c3cccc(C)c3,0.0
14813,CO-ADD:0240588,10.88,N1(CCCC(NC(C)=O)c2n[nH]nn2)C(=O)c(c3C1=O)cccc3,0.0
14814,CO-ADD:0243369,10.88,c(c(c12)OCO1)(OC)cc(c2)CC3CC(=NO3)CN4CCOCC4,0.0
14815,CO-ADD:0243441,10.88,c(OC)(c([N+](=O)[O-])c1\C=N\O)c(OC2)c(O2)c1,0.0
14816,CO-ADD:0243357,10.88,c(OC)(c(OC)c1\C=C\C(c(cc2)ccc2OC)=O)c(OC3)c(O3)c1,0.0
14817,CO-ADD:0243137,10.88,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNC(=O)c4cccc(OC)c4)O3)OC,0.0
14818,CO-ADD:0245726,10.88,N1(c2ccccc2)C(c(cc3)ccc3[N+](=O)[O-])OC(=CC1=O)c4ccc(cc4)Cl,0.0
14819,CO-ADD:0241836,10.87,c1(Nc(cccc2C(F)(F)F)c2)nc(N\N=C\c(c(Cl)ccc3[N+](=O)[O-])c3)nc(NC)n1.Cl,0.0
14820,CO-ADD:0243045,10.87,c(CC(C1)ON=C1C(=O)N\N=C\c2ccccc2F)(c(OC)c3OC)c(Br)c(c34)OCO4,0.0
14821,CO-ADD:0243870,10.87,c(c(C(C(OC)OC)C(c1ccc(OC)cc1)=O)c(OC)c2c3OCO2)c3OC,0.0
14822,CO-ADD:0243418,10.87,c(OC1)(c(OC)c(COC)c2)c(O1)c2OC,0.0
14823,CO-ADD:0243224,10.87,c(OCO1)(c2OC)c1c(c(\C=N\NC(c3ccccc3)=O)c2CC(C)Cl)OC,0.0
14824,CO-ADD:0244154,10.87,S(=O)(=O)(c1ccc(cc1)Cl)N2CCSC2c3ccccc3,0.0
14825,CO-ADD:0244716,10.87,S(c1ccccc1N)C(c(ccc(c23)OCO2)c3)CC(c4ccccc4)=O,0.0
14826,CO-ADD:0244861,10.87,C(N(CC)C(=O)N1CC)(C1N2)N3C(S\C(=C/c(c(Cl)c4)ccc4Cl)\C3=O)=N2,0.0
14827,CO-ADD:0241769,10.87,c1(C#N)c(SCC(=O)c2ccc(cc2)C)nsc1SCC(=O)c3ccc(cc3)C,0.0
14828,CO-ADD:0242733,10.87,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc(cccc4C(O)=O)c4,0.0
14829,CO-ADD:0244173,10.87,c1(cc(Cl)ccc1NC(=O)C(F)(F)F)C(c2ccccc2)=O,0.0
14830,CO-ADD:0243102,10.87,c(\C=N\c(ccc(OC)c1)c1)(c2OC)cc(OC)c(OCO3)c23,0.0
14831,CO-ADD:0243897,10.87,C(C(=O)N1)(C(c(cc2c3OCO2)cc3OC)CC(NCc4cc(OCC)c(OC)cc4)=O)=C(O)C(C(OCC)=O)=C1,0.0
14832,CO-ADD:0243617,10.87,c(OC)(cc1\C=C(/Br)\Br)c(OCO2)c2c1,0.0
14833,CO-ADD:0244825,10.87,CN(C(=O)N1C)C(C1N2)N=C3N2C(=O)\C(=C(\C4=O)/c(cc5)c(cc5)N4)\S3,0.0
14834,CO-ADD:0242620,10.87,C(C#N)(C1c2ccc(cc2)CC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
14835,CO-ADD:0244194,10.87,C(=O)(C(C)(C)C)Nc(cc1)ccc1C(=O)Nc(cc2)ccc2Cl,0.0
14836,CO-ADD:0244843,10.87,C(C)N(C(=S)N1CC)C(C1N2)N3C(S\C(=C(/C4=O)\c5c(cccc5)N4CCc(c6)cccc6)\C3=O)=N2,0.0
14837,CO-ADD:0242784,10.87,c1(\C=N\NC(COc2c(C)ccc(C(C)C)c2)=O)c(cccc1Cl)Cl,0.0
14838,CO-ADD:0243105,10.87,c(\C=N\NC(Cc(cc1)ccc1)=O)(c2OC)c(CCC)c(OC)c(OCO3)c23,0.0
14839,CO-ADD:0244169,10.87,N(=C\c(ccc(c1OC)O)c1)/c2ccc(cc2O)C,0.0
14840,CO-ADD:0244190,10.87,c1(C(=O)N(CC2)CCO2)c(C)c3c(ccc(OCc4ccccc4)c3)[nH]1,0.0
14841,CO-ADD:0243110,10.87,c(OC)(c1OC)c(CC2CC(C(OCC)=O)=NO2)c(\C=N/NC(c(cc3)ccc3)=O)c(OCO4)c14,0.0
14842,CO-ADD:0243155,10.87,COc(c1)ccc([nH]c2)c1c2CCNCC(CC(O3)Cc(cc4OC)cc(c45)OCO5)=N3,0.0
14843,CO-ADD:0243604,10.87,c1c(C)nc2c(c(n(ccc3)c3)c(C(=O)N\N=C\c(c(OC)c4c(OCO4)c5OC)c5CC(CC(c(cc6)ccc6Cl)=N7)O7)s2)c1COC,0.0
14844,CO-ADD:0243916,10.86,CCOc1cc(CCNC(=O)CC(c(c(OC)c(OCO2)c23)cc3OC)C(C(=O)OC(C)=C4)=C4O)ccc1OCC,0.0
14845,CO-ADD:0243100,10.86,c(\C=N\NC(c(cccc1)c1)=O)(c2OC)c(CCC)c(OC)c(OCO3)c23,0.0
14846,CO-ADD:0243108,10.86,c(OC)(c1OC)c(CC2CC(C(OCC)=O)=NO2)c(\C=N/NC(c(cc3)cc([N+](=O)[O-])c3)=O)c(OCO4)c14,0.0
14847,CO-ADD:0243893,10.86,C(CC(c(c(OC)c(OC1)c2O1)cc2OC)C(=C3CC(=O)OCC)C(=O)NN3)(=O)N,0.0
14848,CO-ADD:0243874,10.86,C1=C(C)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)Nc(cc4)cc(OC)c4)=C1O,0.0
14849,CO-ADD:0243090,10.86,c(OC1)(c(OC)cc2\C=C\C(N(CCC3)C3)=O)c(O1)c2,0.0
14850,CO-ADD:0243058,10.86,c1(OC)c(OC)c(CC(C)NC(=O)Nc2cccc(OC)c2)cc(OCO3)c13,0.0
14851,CO-ADD:0245984,10.86,n1c(Nc(cc2)ccc2I)scc1c3cc(C)ccc3C.Br,0.0
14852,CO-ADD:0244553,10.86,C(=O)(c1cccc(Br)c1)NC(C)c2ccccc2,0.0
14853,CO-ADD:0245522,10.86,N1(c2cccc(Cl)c2C)C(=O)C3C(CCCC3)C1=O,0.0
14854,CO-ADD:0245280,10.86,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
14855,CO-ADD:0243571,10.86,c(C(CNC1=O)C1C(=O)OCC)(c2OC)cc(OCO3)c3c2OC,0.0
14856,CO-ADD:0243939,10.86,c(cccc1)(c12)OC(=O)C(C(c(c(OC)c(OCO3)c34)cc4OC)CC(=O)NCCc5c(ccc6)c(c6)[nH]c5)=C2O,0.0
14857,CO-ADD:0244595,10.86,C1(N(C)C)=NCC(CBr)S1.Br,0.0
14858,CO-ADD:0246114,10.86,c1(O2)c(c3c(NC2c4ccccc4OCC(O)=O)cccc3)nnc(SCC)n1,0.0
14859,CO-ADD:0241318,10.86,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
14860,CO-ADD:0245575,10.86,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Br)SC(=NN2c6ccc(cc6)Br)C(c7ccccc7)=O,0.0
14861,CO-ADD:0243745,10.86,c1c(C)nc2c(c(n(ccc3)c3)c(C(=O)N\N=C\c(c(OC)c4c(OCO4)c5OC)c5)s2)c1COC,0.0
14862,CO-ADD:0243698,10.86,O1CCCC1CN2C(=O)C(O)=C(C2c(cc(OC)c3c4OCO3)c4OC)C(=O)c5cccc(OC)c5,0.0
14865,CO-ADD:0241738,10.86,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccccc3)C2c4cccs4,0.0
14866,CO-ADD:0244205,10.86,c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])c1NCCc(c2c([nH]3)cccc2)c3,0.0
14867,CO-ADD:0244876,10.86,C(N(C)C(=O)N1C)(C1N2)N=C(SC3(C(c4ccc([N+](=O)[O-])cc4)CN(C)C3(c(cccc5)c5N6CC=C)C6=O)C7=O)N27,0.0
14868,CO-ADD:0244218,10.86,C1(C(OCC)=O)=C(C)NC(=S)NC1c2ccc(cc2)OCC(=O)N(CC3)CCO3,0.0
14869,CO-ADD:0236958,10.85,O=C(C1=CC=C(OC)C=C1CC/2)C2=CC3=C(OC)C=CN=C3,0.0
14870,CO-ADD:0243680,10.85,n(c1c(c2c3c(OC)c(OCO4)c4c(OC)c3)SC(N1)=O)c(c2C5=O)N(C(C)C)N5,0.0
14871,CO-ADD:0243352,10.85,c1(c[nH]n2)c2NC(=O)CC1c(cc(OCO3)c3c4OC)c4OC,0.0
14872,CO-ADD:0243286,10.85,c(CC(C1)ON=C1C(OCC)=O)(c(OC)c2OC)c(Br)c(c23)OCO3,0.0
14873,CO-ADD:0243350,10.85,c1(c2)c([nH]n2)NC(CSC1c(cc(OC)c(c34)OCO3)c4OC)=O,0.0
14874,CO-ADD:0243758,10.85,N(CCO1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3sccc3)C2c4cc(OCO5)c5c(OC)c4,0.0
14876,CO-ADD:0245807,10.85,c(c1c(s2)CCC1)(C3=O)c2N=C(SCc4cccc(Br)c4)N3c5ccccc5,0.0
14877,CO-ADD:0246007,10.85,c1(c2ccccc2Cl)nnn(CC(O)=O)n1,0.0
14878,CO-ADD:0245833,10.85,N(CC)(c1c2cc(C)cc1)c3c([Te]2)cc(C)cc3,0.0
14879,CO-ADD:0243795,10.85,c(cc1)(OC(=O)C(C(c(cc2c(OCO2)c3OC)c3)C(C(=O)NCCc(ccc4)s4)O5)=C56)c6cc1,0.0
14880,CO-ADD:0243811,10.85,c(c1ccc(OC)cc1)(c(NC(=O)C)no2)c2c3cc(OCO4)c4c(OC)c3,0.0
14881,CO-ADD:0243547,10.85,c(OCO1)(c1c2OC)cc(\C(\C#N)=C\c(ccc(OC)c3)c3)c2,0.0
14883,CO-ADD:0245962,10.85,N1(CNc(cccc2[N+](=O)[O-])c2)C(=O)\C(\SC1=O)=C/c3ccccc3F,0.0
14884,CO-ADD:0246013,10.85,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(CC1=O)Nc(cc3)ccc3F,0.0
14885,CO-ADD:0241976,10.85,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c(cccc5C(F)(F)F)c5,0.0
14886,CO-ADD:0241589,10.85,n(c1C)(nnc1C(=O)N\N=C\c2ccc(C)o2)c3nonc3N,0.0
14887,CO-ADD:0243812,10.85,c(c1c(OC)c(OCO2)c2c(OC)c1)(c(N)on3)c3c4ccc(OC)cc4,0.0
14888,CO-ADD:0243703,10.84,n(cc1)cn1CCCN(C(=O)C(O)=C2C(=O)c3cc(OCO4)c4cc3)C2c(cc(OC)c5c6OCO5)c6OC,0.0
14889,CO-ADD:0243482,10.84,c(C(CC1)CCN1)(nc2c(cc3OC)c(OC)c4c3OCO4)on2,0.0
14890,CO-ADD:0243389,10.84,C12=C(OC(=O)CC1c(cc(OC)c(c34)OCO3)c4OC)c5c(cccc5)NC2=O,0.0
14891,CO-ADD:0245845,10.84,COc(c1OC)cc(cc1OC)C(=O)O\N=C(/CC(CC2)N(C)C23)\C3.Cl,0.0
14892,CO-ADD:0246006,10.84,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2)ccc2NC(C)=O,0.0
14893,CO-ADD:0241977,10.84,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Cl)CC(=O)N\N=C\c3cccc(OCC=C)c3,0.0
14894,CO-ADD:0245740,10.84,n(nnc1C(=O)N\N=C\c(cc2)ccc2Cl)(c1COC)c3nonc3N,0.0
14895,CO-ADD:0245542,10.84,C(C#N)(C(c1ccc(cc1Cl)Cl)C2=C(N3c4ccc(cn4)Br)CC(C)(C)CC2=O)=C3N,0.0
14896,CO-ADD:0245550,10.84,c1(c(ccc(c1)[N+](=O)[O-])NC(Cc2ccccc2)C(N)=O)[N+](=O)[O-],0.0
14897,CO-ADD:0245312,10.84,[N+](=O)([O-])c(cccc1C(=O)NNC(=O)C(=O)NC(C)(C)C)c1,0.0
14898,CO-ADD:0242891,10.84,c12c(cc(C)c(C)c1)c3c(cccc3)C2=O,0.0
14899,CO-ADD:0244011,10.84,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)On2nnc(ccc(Cl)c3)c23)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C4)[C@]45C)[C@]5(C)CC6)C6[C@H](C)[C@@H]1O,0.0
14900,CO-ADD:0246017,10.84,N1(C(=O)c2ccccc2F)C(O)(c3ccc(cc3)Cl)CC(C(F)(F)F)=N1,0.0
14901,CO-ADD:0241710,10.84,n1c(ccc(C#N)c1SCCc2ccccc2)c3cccs3,0.0
14902,CO-ADD:0241401,10.84,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
14903,CO-ADD:0244815,10.84,COc1cc(C2c3c(ncnc3O)OC(N)=C2C#N)c(OC)c(O4)c1OC4,0.0
14904,CO-ADD:0245889,10.84,c(c1)(cc(cc1NC(=O)\C=C\c2ccccc2)NC(=O)\C=C\c3ccccc3)C(O)=O,0.0
14905,CO-ADD:0245928,10.84,c1(N2CCCCC2)cc(N\N=C(/C)\c3ccc(cc3)C)nc(C)n1,0.0
14906,CO-ADD:0241867,10.84,c12c(non1)nc(Nc3ccccc3C)c(N\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-])n2,0.0
14907,CO-ADD:0242114,10.84,[N+](=O)([O-])c(cccc1C(=O)NCC(=O)OCC(=O)c2ccc(cc2)Br)c1,0.0
14908,CO-ADD:0242032,10.83,N1(c2ccccc2c3ccccc3)C(=O)c(c4C1=O)ccc(c4)c5oc(c(c6)n5)ccc6[N+](=O)[O-],0.0
14909,CO-ADD:0242597,10.83,N1(c2cc(Cl)cc(Cl)c2)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
14910,CO-ADD:0240704,10.83,C(/C#N)(\C(OCC)=O)=C/c1c(C)cc(cc1C)C,0.0
14911,CO-ADD:0240605,10.83,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Nc(cc4)ccc4C(C)C,0.0
14912,CO-ADD:0242054,10.83,N(C(=O)COC(=O)c1ccco1)(c2c3cccc2)c4c(S3)cccc4,0.0
14913,CO-ADD:0246106,10.83,C(=C/Nc(ccc(c1Cl)Cl)c1)(/C2=O)\C(C(F)(F)F)=NN2c(cc3)ccc3[N+](=O)[O-],0.0
14914,CO-ADD:0242493,10.83,[N+](=O)([O-])c1ccc(cc1)NCCNC(=O)c2ccc(cc2)C,0.0
14915,CO-ADD:0241065,10.83,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc4c5ccc(cc5)Br)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
14916,CO-ADD:0242813,10.83,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(c(cc3)ccn3)=O)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
14917,CO-ADD:0245574,10.83,c1(SCC(=O)Nc2cccc(C)c2C)nnnn1C,0.0
14918,CO-ADD:0242779,10.83,C(CSCC(=O)NC1CCCC1)(=O)Nc2ccccc2,0.0
14919,CO-ADD:0244580,10.83,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)Oc2cccc(cccn3)c23,0.0
14920,CO-ADD:0241400,10.83,c1(\C(\CCC2)=N\NC(CSc3ccccc3C)=O)c2cc(OC)cc1C,0.0
14921,CO-ADD:0245306,10.83,N1(c2cccc(c2)C(O)=O)C(=O)C3C(C1=O)C(C(=O)C34c5ccccc5)(c6ccccc6)C(=C4c7ccc(c8c7)OCO8)c9ccc(c%10c9)OCO%10,0.0
14922,CO-ADD:0242929,10.83,n(c(CC1)c(CN1C)cc2C#N)c2SCC(OCC)=O,0.0
14923,CO-ADD:0240391,10.83,C(C#N)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
14924,CO-ADD:0240365,10.83,C1(CC(=O)N(CC2)CCO2)=NC(Cc3c1cccc3)(CC)CC,0.0
14925,CO-ADD:0240254,10.83,S1(=O)(=O)c2c(C(Nc3ccccc3C(C)C)=N1)ccc(c2)[N+](=O)[O-],0.0
14926,CO-ADD:0240212,10.83,s1c(\C=N\c(cc2)ccc2OC)ccc1Br,0.0
14927,CO-ADD:0242447,10.83,C(=O)(c1ccc(cc1)OCCC)NCC(=O)[O-].[Na+],0.0
14928,CO-ADD:0241142,10.83,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc(cc3)ccc3I)Nc(cc4)ccc4I,0.0
14929,CO-ADD:0242479,10.83,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c(cc(I)cc4I)c4O)n1,0.0
14930,CO-ADD:0246033,10.83,N1(C2c3ccc(cc3)OC)C(S\C(=C\c4cccc(c4)OCc5ccccc5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
14931,CO-ADD:0245293,10.83,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C/c(cc(I)cc6I)c6O)n1,0.0
14932,CO-ADD:0241667,10.83,N12C(S\C(=C/c3ccco3)\C1=O)=C(C(c4ccco4)C(C(OCC)=O)=C2N)C#N,0.0
14933,CO-ADD:0241089,10.83,C(C#N)(=C(N)SC(=C1C#N)N)C1c2c(C)cc(c(c2C)[N+](=O)[O-])C,0.0
14934,CO-ADD:0241297,10.82,C1(=S)N(c2ccc(cc2)C)C3(\C(=N\c4cccc(C)c4)\N1)CCCCC3,0.0
14935,CO-ADD:0245385,10.82,c1(SCC(=O)Nc(ccc(c2s3)nc3SC)c2)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
14936,CO-ADD:0244555,10.82,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)CN(CC2)CCO2,0.0
14937,CO-ADD:0240318,10.82,C(c1ccccc1NC(=O)\C=C/C(O)=O)#Cc(cc2)ccc2Br,0.0
14938,CO-ADD:0241388,10.82,N1(c2ccc(cc2)N=Nc(cc3)ccc3C)C(=O)c(c4C1=O)ccc(C(=O)c(ccc(c5C6=O)C(N6c7ccc(cc7)N=Nc(cc8)ccc8C)=O)c5)c4,0.0
14939,CO-ADD:0242582,10.82,N1(c2ccc(cc2)OCC)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
14940,CO-ADD:0242428,10.82,C(=O)(c(cc1)ccc1[C@@H]2CC[C@H](CC2)CCC)Nc(cc3)ccc3OC,0.0
14941,CO-ADD:0242305,10.82,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cccc3[N+](=O)[O-])c3,0.0
14942,CO-ADD:0242065,10.82,c1(C(=O)OCC(=O)Nc(cc2)ccc2Br)cc(c3o1)cccc3,0.0
14943,CO-ADD:0246212,10.82,N(=C\c1cccc(I)c1)/NC(CCC(=O)Nc(cc2)ccc2C)=O,0.0
14944,CO-ADD:0245937,10.82,c1(Br)c2c(cccc2)ccc1OC(CC)C(=O)N\N=C\c(ccc(c3OC)OC)c3,0.0
14945,CO-ADD:0246130,10.82,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\c3cccs3,0.0
14946,CO-ADD:0246123,10.82,C(C(OCC)=O)(C1c2ccc(c(O)c2)OC)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
14947,CO-ADD:0245897,10.82,[N+](=O)([O-])C(C)(C)CN(CC1)CCN1CC(C)(C)[N+](=O)[O-],0.0
14948,CO-ADD:0241354,10.82,S(=O)(=O)(NCc1ccccc1)c(c(Cl)cc(c2C(=O)Nc3ccccc3[N+](=O)[O-])Cl)c2,0.0
14949,CO-ADD:0246081,10.82,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc(c4OCC)O)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
14950,CO-ADD:0246180,10.82,C1(=Cc(cc(Br)cc2Br)c2OC1=O)C(=O)N3CCSC3c4ccc(c(Br)c4)OC,0.0
14951,CO-ADD:0241327,10.82,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(c5c4)OCO5,0.0
14952,CO-ADD:0242174,10.82,C(CN(c(cccc1C(F)(F)F)c1)CN2c3ccc(cc3)C)([N+](=O)[O-])=N2,0.0
14953,CO-ADD:0241537,10.82,C(C1)(CC2CC1CC3C2)(C3)NC(=O)C\C(\C)=N\NC(=O)c4ccc(cc4)NC(C)=O,0.0
14954,CO-ADD:0241682,10.82,C(C#N)(=C(N)OC(=C12)CCCC1=O)C2c3cccc(Cl)c3,0.0
14955,CO-ADD:0245549,10.82,S(C)(=O)(=O)N(c1ccccc1)CC(=O)N\N=C\c(cc2)ccc2\C=N\NC(=O)CN(c3ccccc3)S(C)(=O)=O,0.0
14956,CO-ADD:0242741,10.82,N(=C(N\N=C\c(cccc1[N+](=O)[O-])c1)NN=C2Cc3ccccc3)C2=O,0.0
14957,CO-ADD:0240696,10.81,C(/c1c(N2)cccc1)(=N\NC(c(cc3)ccn3)=O)\C2=O,0.0
14958,CO-ADD:0240368,10.81,c1(C(OCC)=O)sc(c2c1NC(=O)c3ccccc3C)CCCC2,0.0
14959,CO-ADD:0240621,10.81,c1(\C(\CCC2)=N\NC(=O)Cc3cccc(cccc4)c34)c2cc(OC)cc1C,0.0
14960,CO-ADD:0242537,10.81,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C/c2cc(Br)cc(Br)c2OC(=O)c3ccco3,0.0
14961,CO-ADD:0246207,10.81,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2cccc(c2)OC(COc(ccc(c3C)C)c3)=O,0.0
14962,CO-ADD:0246138,10.81,N1(C2c3ccc(cc3)OC)C(S\C(=C\c4ccccc4OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
14963,CO-ADD:0241243,10.81,c1([N+](=O)[O-])c(OC(OCCCl)=O)c(Br)cc(OC(=O)S2)c12,0.0
14964,CO-ADD:0245610,10.81,N(CN1CCCCC1)(N=C(N2C)c3ccccc3Cl)C2=S,0.0
14965,CO-ADD:0241220,10.81,N1(CCC1=O)C(c2ccc(cc2Cl)Cl)C(=O)Nc3cccc(C)c3,0.0
14966,CO-ADD:0241833,10.81,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c3c4c([nH]c3C)cccc4)n1.CC(=O)O,0.0
14967,CO-ADD:0241608,10.81,C(C#N)(C(c1ccc(Br)s1)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
14968,CO-ADD:0241463,10.81,c1(N(C)C)nc(N\N=C\c2ccccc2O)nc(Nc(cc3)ccc3F)n1,0.0
14969,CO-ADD:0244369,10.81,c1(C(=O)Oc(cc2)ccc2\C=N\NC(=O)c(cc3)ccc3[N+](=O)[O-])c(Cl)c4c(cccc4)s1,0.0
14970,CO-ADD:0244710,10.81,C(Cl)(Cl)(Cl)C(=O)OC(c1ccccc1)Nc2ccccc2,0.0
14971,CO-ADD:0242694,10.81,n1c2c([nH]c1c(cc3)ccn3)ccc(N)c2,0.0
14972,CO-ADD:0242911,10.81,C1(C(C)=O)=C(C)NC(=O)NC1c2ccc(cc2)Br,0.0
14973,CO-ADD:0241064,10.81,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc4c5ccc(cc5Cl)Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
14974,CO-ADD:0242079,10.8,c1(NC(=O)Nc2ccccn2)c(SC)nsc1SC,0.0
14975,CO-ADD:0240617,10.8,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)\N=C\c(cc(I)cc4I)c4O)n1,0.0
14976,CO-ADD:0240177,10.8,N1(Cc(cc2)ccc2S(=O)(=O)Nc(cc3)ccc3OCC)C(=O)c4c(cccc4)C1=O,0.0
14977,CO-ADD:0240918,10.8,N1(C(=O)c2c(C(c3ccc(cc3)CC)=N1)cccc2)c4cc(ccc4[N+](=O)[O-])N(CC5)CCN5C,0.0
14978,CO-ADD:0240682,10.8,c1(O)c(cc(cc1C(C)(C)C)CCC(O)=O)C(C)(C)C,0.0
14979,CO-ADD:0245941,10.8,C(=O)(N\N=C\c1ccccc1OCC#C)C(C)Oc2ccccc2Br,0.0
14980,CO-ADD:0246135,10.8,c(C(=O)c1ccc(cc1)OC)(sc(c23)nc(cc2c4ccc(cc4)OC)c5ccc(cc5)OC)c3N,0.0
14981,CO-ADD:0241073,10.8,c1(CC(=O)Nc(cc2)ccc2OC)n(C)c(c3c1Sc4ccccc4)cccc3,0.0
14982,CO-ADD:0241633,10.8,P(O)(CCc1ccccn1)(=O)CN2CCCCC2,0.0
14983,CO-ADD:0242936,10.8,C(/C#N)(=C/c(cc1)ccc1OC)\C(=O)OCC(F)(F)C(F)F,0.0
14984,CO-ADD:0245852,10.8,c12c(cc(Cl)c(N)c1Sc(cc3)ccc3C(C)(C)C)C(c(cccc4)c4C2=O)=O,0.0
14985,CO-ADD:0242177,10.8,n(nnc1C(=O)N\N=C\c2ccccc2O)(c1COC)c3nonc3N,0.0
14986,CO-ADD:0242910,10.8,C(O)(c1ccc(cc1)C)(C(C)C2)CC(N2C)C,0.0
14987,CO-ADD:0241881,10.8,C(=C\c(ccc1c(ccc(c2Cl)OC)c2)o1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
14988,CO-ADD:0244440,10.8,n1c(c2ccccc2)csc1\C(\C#N)=C\c(cc3)ccc3Cl,0.0
14989,CO-ADD:0240562,10.8,C(=C/c(ccc1c2ccccc2Cl)o1)(/C3=O)\C(=O)NC(=S)N3,0.0
14990,CO-ADD:0245782,10.8,N1(c2ccc(c(C)c2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C(C)=O,0.0
14991,CO-ADD:0244477,10.8,C(=N\c(cc1)ccc1Oc2ccccc2)(/c3c(N4)cccc3)\C4=O,0.0
14992,CO-ADD:0240333,10.8,C(C(OCCCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3OCC,0.0
14993,CO-ADD:0240206,10.8,c1(C#N)c2c(sc1\N=C\c(ccc3c(cc4)cc(c4[N+](=O)[O-])C)o3)CCCC2,0.0
14994,CO-ADD:0244306,10.8,S(=O)(=O)(c1ccc(cc1)C)N(CC(NCCCCCCNC(=O)CN(c2c(OC)ccc(Cl)c2)S(c3ccccc3)(=O)=O)=O)c4c(OC)ccc(Cl)c4,0.0
14995,CO-ADD:0240229,10.8,n(c(c1)c2ccc1C(=O)Oc(cc3)ccc3Cl)c(c4ccccc4)c(n2)c5ccccc5,0.0
14996,CO-ADD:0244749,10.8,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c5cccc(Cl)c5)o4,0.0
14997,CO-ADD:0241487,10.8,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)OCc(cc3)ccc3[N+](=O)[O-],0.0
14998,CO-ADD:0246203,10.79,c1(\C=N\Nc2cccc(C)c2)c3c(cccc3)ccc1OC(c4ccccc4)=O,0.0
14999,CO-ADD:0245638,10.79,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c(cc6)ccc6[N+](=O)[O-])C(C)=O,0.0
15000,CO-ADD:0241192,10.79,c1(N(CC2)CCO2)c(C(C)C)cc(cc1C(C)C)C(C)C,0.0
15001,CO-ADD:0246232,10.79,c(C(Cl)(Cl)Cl)(n1)nc(nc1C(Cl)(Cl)Cl)NNc2ccccc2,0.0
15002,CO-ADD:0246166,10.79,C(/C1=O)(\Sc(c12)cccc2)=C\c(c(Cl)ccc3[N+](=O)[O-])c3Cl,0.0
15003,CO-ADD:0240988,10.79,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2[N+](=O)[O-])\C(N1c3ccccc3)=O,0.0
15004,CO-ADD:0241511,10.79,C(=O)(N\N=C(/C)\CC(=O)Nc(cccn1)c1)C(=O)Nc2cc(C)ccc2OC,0.0
15005,CO-ADD:0241888,10.79,C(=C\c(ccc1c2ccc(c(Cl)c2)C)o1)(/C(=O)NC(N3)=S)\C3=O,0.0
15006,CO-ADD:0242354,10.79,c1(C#N)c(c2ccccc2)cc(nc1SCc3cccc(OC)c3)c4cccs4,0.0
15007,CO-ADD:0241907,10.79,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(=O)Nc3cccc(Cl)c3Cl,0.0
15008,CO-ADD:0241918,10.79,c1(C(=O)Nc(cc(Oc(cc2)ccc2Br)cc3[N+](=O)[O-])c3)c(Cl)c4c(cccc4)s1,0.0
15009,CO-ADD:0246225,10.79,C1(c2ccccc2)(\C=N\NC(=O)C3C(C34)CC\C=C/CC4)CC1(Cl)Cl,0.0
15010,CO-ADD:0240219,10.79,C(=C\c(ccc1c(cc2)cc(c2[N+](=O)[O-])C)o1)(/C(=O)NC(N3)=S)\C3=O,0.0
15011,CO-ADD:0245508,10.79,N(\C(=C/c(cc1)ccc1Br)\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
15012,CO-ADD:0244480,10.79,C(=O)(Nc(cc1)ccc1I)C\C(\C)=N/NC(=O)c(cc2)ccc2C(C)(C)C,0.0
15013,CO-ADD:0240839,10.79,c1(cc(ccc1Cl)SC)C(=O)Nc(cc2)ccc2OCC,0.0
15014,CO-ADD:0240260,10.79,C(=O)(NCC1COc(c2O1)cccc2)C3(CCCC3)c4ccccc4,0.0
15015,CO-ADD:0246146,10.79,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)cc(c5OC(=O)c6cc(F)c(cc6Cl)F)OC,0.0
15016,CO-ADD:0245601,10.78,N1(CCC1=O)C(C)(CC)C(=O)Nc2cccc(C)c2,0.0
15017,CO-ADD:0241351,10.78,C(=O)(C(Cc1ccccc1)NC(=O)c2ccc(cc2)OCCCC)NC(CCSC)C(O)=O,0.0
15018,CO-ADD:0241306,10.78,C(=C\c1ccccc1OC(C)C)(/C2=O)\C(=O)NC(=S)N2,0.0
15019,CO-ADD:0241111,10.78,c1(c(C)non1)N(Cc2c(C)ccc(cccc3)c23)N=Nc4c(C)non4,0.0
15020,CO-ADD:0240573,10.78,N1(C(c2ccccc2)CC(c3ccccc3)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N6CCCC6)n4.Br,0.0
15021,CO-ADD:0241521,10.78,n1(c2ccccc2)c(SCc3[nH]c(c4n3)cccc4)nnc1c5cccc(Br)c5,0.0
15022,CO-ADD:0240546,10.78,C(C(C)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(O)C(N1c(cc3)ccc3C(OCC)=O)=O,0.0
15023,CO-ADD:0242681,10.78,n1(c(C)cc(C)n1)C(=O)c2c(cccc2[N+](=O)[O-])C(O)=O,0.0
15024,CO-ADD:0241869,10.78,c1(non2)c2nc(Nc3ccccc3I)c(N\N=C\c4ccco4)n1,0.0
15025,CO-ADD:0244913,10.78,C1(C2NC(SC)=[N+]1[H])N(CC)C(=S)N2CC.[I-],0.0
15026,CO-ADD:0240594,10.78,C(=O)(Nc1ccccc1)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O,0.0
15027,CO-ADD:0240394,10.78,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
15028,CO-ADD:0240371,10.78,C(C(O)=O)(=CN(CC)c1c2cc(c(N\N=C\c3ccccc3)c1)F)C2=O,0.0
15029,CO-ADD:0240169,10.78,C(/C=C(O1)c2ccc(cc2)C)(\C1=O)=C\c3c(O)ccc(cccc4)c34,0.0
15030,CO-ADD:0240664,10.78,C1(=O)OC(C(=C)N1c2ccc(cc2)C)(C)CC,0.0
15031,CO-ADD:0240660,10.78,n1(c(CCC)c(nn1)C(OCC)=O)c2nonc2N,0.0
15032,CO-ADD:0241630,10.78,P(O)(CCc(cc1)ccn1)(=O)CN2CCCCC2,0.0
15033,CO-ADD:0242889,10.78,C(=O)(C(NCCCn(ccn1)c1)=O)Nc2cc(C)ccc2C,0.0
15034,CO-ADD:0242877,10.78,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
15035,CO-ADD:0242814,10.78,S(=O)(=O)(c1ccc(cc1)F)Nc2ccccc2C#N,0.0
15036,CO-ADD:0242713,10.78,c1(c2)c(Cc(cccc3)c13)cc4c2c(C)cc(n4)C,0.0
15037,CO-ADD:0245448,10.78,C1(=O)N(C)c(c(c2)N1C)ccc2C3Nc(ccc(c45)cccc4)c5C(CC(C)(C)CC6=O)=C36,0.0
15038,CO-ADD:0245761,10.78,C(C(OCC)=O)(C1c2ccccc2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
15039,CO-ADD:0244363,10.78,c1(cc(ccc1N(CC2)CCN2Cc3ccccc3)[N+](=O)[O-])[N+](=O)[O-],0.0
15040,CO-ADD:0245049,10.78,c1(c(Br)cc(c(c1)NC(=O)c2ccccc2F)Br)C(F)(F)F,0.0
15041,CO-ADD:0244981,10.78,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c(cc4)ccc4Br)n1,0.0
15042,CO-ADD:0245075,10.78,N(COc(c12)ccc(c1)[N+](=O)[O-])(c(cccc3)c34)C2OC4(c5ccccc5)c6ccccc6,0.0
15043,CO-ADD:0246173,10.78,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2c(cccc2Cl)Cl,0.0
15044,CO-ADD:0240149,10.78,C(=O)(OC(C)(C)C)NC(Cc1ccccc1)C(=O)Nc(cc2)ccc2C,0.0
15045,CO-ADD:0240127,10.78,c1(c(C)cccc1C)NC(COc(cc2)ccc2OC)=O,0.0
15046,CO-ADD:0242828,10.78,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2ccccc2)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
15047,CO-ADD:0244479,10.78,c1(c(cccc1Oc(cc(C)cc2Oc3cccc(c3C#N)C#N)c2)C#N)C#N,0.0
15048,CO-ADD:0240965,10.78,N(CCN1c2cccc(C)c2)(c3cccc(C)c3)C1c(cc4)ccc4N(C)C,0.0
15049,CO-ADD:0244481,10.78,C(C(OCC)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(C)N(C(C)=C1C(OCC)=O)C,0.0
15050,CO-ADD:0242815,10.78,C(C#N)(C1c2sccc2C)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
15051,CO-ADD:0241094,10.78,C1(CC2CC(C1)CC3(C2)C(=O)Nc(cc(Oc(cc4)ccc4F)cc5[N+](=O)[O-])c5)(C3)n(c6)nc(n6)Cl,0.0
15052,CO-ADD:0241632,10.78,P(O)(CCc(cc1)ccn1)(=O)CN(CC2)CCO2,0.0
15053,CO-ADD:0241626,10.77,c1(N(CC2)CCO2)nc(Cl)nc(NCc(cccn3)c3)n1,0.0
15054,CO-ADD:0241620,10.77,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCC(OC)=O,0.0
15055,CO-ADD:0241148,10.77,c1(c2ccc(cc2Cl)Cl)[nH]c3c(ccc(c3)\N=C\c4cccc(Br)c4)n1,0.0
15056,CO-ADD:0241934,10.77,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c2cccc(OC)c2)=O)c3cccs3,0.0
15057,CO-ADD:0242657,10.77,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCC=C,0.0
15058,CO-ADD:0241363,10.77,c1(SCC(=O)N(c2ccccc2)c3ccccc3)sc(c4n1)cccc4,0.0
15059,CO-ADD:0245277,10.77,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cccc4C(F)(F)F)c4,0.0
15060,CO-ADD:0245531,10.77,c1(c(C)non1)N(Cc(cc2)ccc2[N+](=O)[O-])N=Nc3c(C)non3,0.0
15061,CO-ADD:0240134,10.77,S1(=O)(=O)c2c(C(Oc(c(Cl)ccc3[N+](=O)[O-])c3)=N1)ccc(c2)[N+](=O)[O-],0.0
15062,CO-ADD:0245741,10.77,n(c1C)(nnc1C(=O)N\N=C(\c2c(N3)cccc2)/C3=O)c4nonc4N,0.0
15063,CO-ADD:0240911,10.77,N1(C(c2ccccc2)=O)N=C(CC1(O)c3cccc(Br)c3)C(F)(F)F,0.0
15064,CO-ADD:0240713,10.77,N(=C\c1cc(Br)ccc1O)/N(c2ccccc2)c3ccccc3,0.0
15065,CO-ADD:0242235,10.77,n(NCC(OCC)=O)(c1)cnn1,0.0
15066,CO-ADD:0240430,10.77,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c3ccc(cc3F)F)c4nonc4N,0.0
15067,CO-ADD:0242863,10.77,C(C#N)(C(c1scc(Br)c1)C2=C(N3c4ccc(cn4)Br)CCCC2=O)=C3N,0.0
15068,CO-ADD:0242014,10.77,N1(NC(=O)c(ccc(c2C3=O)C(N3c4ccccc4)=O)c2)C(=O)c5c(cccc5)C1=O,0.0
15069,CO-ADD:0244318,10.77,c1(c2ccccc2C#N)nnn(CC(=O)N\N=C\c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3)n1,0.0
15070,CO-ADD:0242867,10.77,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
15071,CO-ADD:0245464,10.77,c1(C(=O)N\N=C\c(ccc2c3ccc(cc3Cl)Cl)o2)nonc1N,0.0
15072,CO-ADD:0241083,10.77,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4ccccc4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
15073,CO-ADD:0244531,10.77,C(=O)(N\N=C\c1cc(Br)ccc1O)c2cccc(c2)NC(CCCC)=O,0.0
15074,CO-ADD:0245526,10.77,P(O)(=O)(CN1CCCC1=O)C(Cc2ccccc2)C(O)=O,0.0
15075,CO-ADD:0244551,10.77,N1(c2ccccc2)C(=O)C(C3C1=O)C(CC4)C=CC34,0.0
15076,CO-ADD:0245308,10.76,c1(C(OCC)=O)oc(c2c1NC(=O)CCN(CC)CC)cccc2,0.0
15077,CO-ADD:0244562,10.76,C(c1ccccc1)(=O)Nc2ccc(cc2Cl)NC(c3ccccc3)=O,0.0
15078,CO-ADD:0244612,10.76,C(O)(c1cccc(C)c1)(c2cccc(C)c2)C(=O)N\N=C\c3cccc(OC)c3O,0.0
15079,CO-ADD:0240931,10.76,N1(CCCC)C(=O)C2C(CC(CC2)=O)C1=O,0.0
15080,CO-ADD:0242058,10.76,c1(NC(Cc2ccccc2)=O)sc(c3c1C#N)CCCC3,0.0
15081,CO-ADD:0242075,10.76,c1(nnc(CCc2ccccc2)s1)NC(=O)c(cccc3NC(=O)C(F)(F)F)c3,0.0
15082,CO-ADD:0240844,10.76,N(C(=O)\C(\S1)=C\c(cc2)ccc2OCC)=C1N(CC3)CCO3,0.0
15083,CO-ADD:0241280,10.76,c1(C#N)c2c(sc1\N=C\c(ccc3c4cccs4)s3)CC(C)CC2,0.0
15084,CO-ADD:0244491,10.76,C1(NC(=O)C2C(C2(C)C)\C=C(/Cl)\Cl)=C(C)N(N(c3ccccc3)C1=O)C,0.0
15085,CO-ADD:0241925,10.76,N1(c2ccc(cc2)Br)C(=O)c3c(cc(c(Cl)c3)Cl)C1=O,0.0
15086,CO-ADD:0241742,10.76,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccccc3)C2c4ccccc4C(F)(F)F,0.0
15087,CO-ADD:0244964,10.76,c1(nncs1)NC(=O)c2ccc(cc2)Br,0.0
15088,CO-ADD:0242798,10.76,C(C#N)(C(c1ccc(cc1)CC)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
15089,CO-ADD:0241752,10.76,N12C(S\C(=C/c(cccc3Oc4ccccc4)c3)\C1=O)=C(C(c5cccc(Oc6ccccc6)c5)C(C(OCC)=O)=C2N)C#N,0.0
15090,CO-ADD:0245394,10.76,c1(N2CCCCC2)nc(N\N=C\c3ccccc3)nc(Nc(cc4)ccc4F)n1.Cl,0.0
15091,CO-ADD:0245346,10.76,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\C(CO)O,0.0
15092,CO-ADD:0244352,10.76,N(CC(OC)=O)(CC(OC)=O)c1ccc(cc1OCCOc2cc(C)ccc2N(CC(OC)=O)CC(OC)=O)C=O,0.0
15093,CO-ADD:0244339,10.76,c1c(O)cc(CCO[C@H](OC2COC(=O)\C=C/c(cc3O)cc(O)c3)C(O)C(O[C@H](OC4C)C(O)C(O)[C@H]4O)[C@@H]2O)cc1O,0.0
15094,CO-ADD:0244421,10.76,O(C(F)F)c1ccccc1CN.Cl,0.0
15095,CO-ADD:0244921,10.76,C(Cc1ccccc1)N(CN(C(=O)N2)C(N34)C2NC3=S)C4,0.0
15096,CO-ADD:0242197,10.76,c1(nnc(c2ccc(cc2)OC)o1)NC(=O)c3ccc(cc3)Cl,0.0
15097,CO-ADD:0242567,10.76,C1(C(=O)NNC(=O)c(cc2)ccc2[N+](=O)[O-])=Cc(cccc3CC=C)c3OC1=O,0.0
15098,CO-ADD:0241067,10.76,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4ccccc4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
15099,CO-ADD:0242501,10.76,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCCNC(=O)c2ccc(cc2)Br,0.0
15100,CO-ADD:0242128,10.76,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc4sc(c(ccc5[N+](=O)[O-])n4)c5)n2,0.0
15101,CO-ADD:0240825,10.76,S(=O)(=O)(c1ccc(c2c1)OCCO2)N(CCc3ccccc3)CC(=O)N\N=C\c(cc4)ccc4Cl,0.0
15102,CO-ADD:0240868,10.76,N1(c2ccc(cc2)CC)C(=O)C(C(C(C34)C(=C5c6ccccc6)C(C=C3)C(C4C7=O)C(N7c8ccc(cc8)CC)=O)C1=O)C5,0.0
15103,CO-ADD:0244411,10.76,CC(OC1[C@@H](C(O[C@H](C1OC(C)=O)N=C=O)COC(C)=O)OC(C)=O)=O,0.0
15104,CO-ADD:0245046,10.76,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])n3c(cccc3)c1S(CCC)(=O)=O,0.0
15105,CO-ADD:0245058,10.76,n1(nnc(C(=O)N\N=C\c(cc2)ccc2C(C)(C)C)c1CN(CC)CC)c3nonc3N,0.0
15106,CO-ADD:0241114,10.75,S(=O)(=O)(Nc(cc1)ccc1C(OCCCCCC)=O)c2cccc(cccn3)c23,0.0
15107,CO-ADD:0244290,10.75,c1(ccc(cc1Cl)Cl)C(=O)Oc(cc2)ccc2\C=N\c3ccccc3,0.0
15108,CO-ADD:0244275,10.75,N(c1ccccc1I)C(CCC(=O)N\N=C\c(ccc(c2OC)OC)c2)=O,0.0
15109,CO-ADD:0241382,10.75,N(/NC(CCc1ccccc1)=O)=C(\C2)/C(CC)CC2,0.0
15110,CO-ADD:0241455,10.75,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c3ccc(cc3OC)OC)n1,0.0
15111,CO-ADD:0242376,10.75,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC(=O)NC(C3)(CC(C4)CC5CC34)C5)c6ccccc6,0.0
15112,CO-ADD:0244540,10.75,C(=O)(c1ccc(cc1)NCC(OCCCCCCCC)=O)Nc2ccccc2C.Cl,0.0
15113,CO-ADD:0242371,10.75,c1(C#N)c(cc(nc1SCc(cccn2)c2)C)c3ccc(cc3)OC,0.0
15115,CO-ADD:0240338,10.75,C(/C(OC(C)C)=O)=C(/N)\c1ccccc1,0.0
15116,CO-ADD:0242546,10.75,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(ccc(c3Br)OC)c3)\C1=O)=O,0.0
15117,CO-ADD:0240707,10.75,c(ccc(c1Cl)Cl)(C(CCNc2ccccc2Br)=O)c1,0.0
15118,CO-ADD:0245478,10.75,c1(N(C)C)nc(N\N=C\c2ccccc2)nc(Nc(cc3)ccc3F)n1.Cl,0.0
15119,CO-ADD:0240452,10.75,C1(C(OC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCC(OC)=O,0.0
15120,CO-ADD:0244465,10.75,c1(ccc(c(cccc2)c12)F)C(O)=O,0.0
15121,CO-ADD:0244693,10.75,[n+]12c(nc(C)cc1C)sc(CN(C(OC)=O)N3C(OC)=O)c2C3,0.0
15122,CO-ADD:0241042,10.75,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\c(c2)c(ccc2C(F)(F)F)Oc3ccccc3)Br,0.0
15123,CO-ADD:0244655,10.75,C(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\NC(=O)c(cccn3)c3,0.0
15124,CO-ADD:0244276,10.75,[N+](=O)([O-])c1ccccc1C(=O)N\N=C\c(cc2)ccc2OCc3ccccc3Cl,0.0
15125,CO-ADD:0240974,10.75,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c3c(OC)ccc(OC)c3,0.0
15126,CO-ADD:0244327,10.74,c1(nc(ccc(c2)Br)c2c(c3ccccc3)n1)N(C(C)=O)\N=C\c(ccc4[N+](=O)[O-])o4,0.0
15127,CO-ADD:0244292,10.74,c1(ccccc1Cl)C(=O)N\N=C\c2ccco2,0.0
15128,CO-ADD:0245051,10.74,n1(CC)c2c(c(cc(cc3)NC(=O)C\C(\C)=N\NC(OCc(cc4)ccc4OC)=O)c13)cccc2,0.0
15129,CO-ADD:0241108,10.74,n1c2c(oc1c(cc3)ccc3N(C)C)ccc(c2)NC(=O)c(ccc(c4[N+](=O)[O-])C)c4,0.0
15130,CO-ADD:0242745,10.74,n1c2c(sc1CN\N=C\c3ccccc3O)cccc2,0.0
15131,CO-ADD:0242606,10.74,C(O)(C(OCC)=O)(C(F)(F)F)NC(=O)c(cccc1C(F)(F)F)c1,0.0
15132,CO-ADD:0241441,10.74,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3OC)nc(Nc(cc4)ccc4F)n1.Cl,0.0
15133,CO-ADD:0244487,10.74,c(C(=O)c1ccc(cc1)Br)(c(N)c(c23)ccc(c4ccc(cc4)Br)n2)s3,0.0
15134,CO-ADD:0246191,10.74,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)ccc4SC)\C1=O,0.0
15135,CO-ADD:0240870,10.74,N1(c(cc2)ccc2C(=O)Oc(cc3)ccc3Cl)C(=O)c4c(cccc4)C1=O,0.0
15136,CO-ADD:0240645,10.74,N1(CCC(=O)[O-])C(C)(O)C(OC1=O)(C)C.[Na+],0.0
15137,CO-ADD:0241804,10.74,c(C(=O)Nc(cc1)c(OC)cc1c(cc2)cc(c2NC(=O)c(c(N)c(c34)cc(c(N)n3)C#N)s4)OC)(c(N)c(c56)cc(c(N)n5)C#N)s6,0.0
15138,CO-ADD:0242720,10.74,C(/c(cccc1C)c12)(=N\c3cccc(cccc4)c34)\c(cc(C)cn5)c25,0.0
15139,CO-ADD:0244956,10.74,c1(C(=O)OCC(=O)Nc2ccccc2)nonc1N,0.0
15140,CO-ADD:0245081,10.74,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3F,0.0
15141,CO-ADD:0241612,10.74,N1(c2ccccc2C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(cccc4[N+](=O)[O-])c4,0.0
15142,CO-ADD:0242628,10.74,C1(C(=O)NCc(cccn2)c2)=Cc3c(OC1=O)cccc3,0.0
15143,CO-ADD:0244708,10.74,C(N)(=O)N\N=C\c1cc(OC)ccc1OC,0.0
15144,CO-ADD:0240991,10.74,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3Cc4ccccc4)C1=O,0.0
15145,CO-ADD:0242353,10.73,c1(C#N)c(SCc2cccc(OC)c2)nc(cc1c3ccccc3OC)c4ccccc4,0.0
15146,CO-ADD:0242730,10.73,[N+](=O)([O-])c1c(NCCCNC(=O)c2ccc(cc2)Cl)ccc(Cl)c1,0.0
15147,CO-ADD:0242577,10.73,C(F)(F)(COC(CCC(=O)Nc(cc1)ccc1Cl)=O)C(F)F,0.0
15148,CO-ADD:0242113,10.73,C1(\C(=N\c2cccc(Cl)c2)\SS3)=C3C(Nc(ccc(OCC)c4)c14)(C)C,0.0
15149,CO-ADD:0242531,10.73,C1(c2ccccc2Cl)=N\C(\C(=O)O1)=C/c3cccc(c3)OCc4ccccc4,0.0
15150,CO-ADD:0242503,10.73,C(=O)(c1cccc(I)c1)NNC(=O)c(cc2)ccc2c3ccccc3,0.0
15151,CO-ADD:0240815,10.73,[N+](=O)([O-])c1ccc(cc1)N\N=C(\CSc2ccccc2)/CC(OC)=O,0.0
15152,CO-ADD:0240483,10.73,c1(C2(CCCCC2)\N=C\c3ccccc3)nnnn1c4cccc(C)c4,0.0
15153,CO-ADD:0241283,10.73,c1(\C=N/Nc2ccc(nn2)Cl)c(O)ccc(cccc3)c13,0.0
15154,CO-ADD:0240157,10.73,c(C#N)(c1C)c(N)sc1C(=O)N\N=C\c(cc2OC)cc(c2O)Br,0.0
15155,CO-ADD:0240197,10.73,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c4cc(Br)cc(Br)c4OCc5ccc(cc5Cl)Cl)\C1=O,0.0
15156,CO-ADD:0244739,10.73,C(=N/N)(/C(C(F)(F)F)C(F)(F)F)\C(=N\N)\C(F)(F)F,0.0
15157,CO-ADD:0242796,10.73,n1(nnc(C(=O)N\N=C\c2ccccn2)c1CN3CCCCC3)c4nonc4N,0.0
15158,CO-ADD:0244220,10.73,c1(n[nH]cn1)NC(=O)C(F)(F)F,0.0
15159,CO-ADD:0245578,10.73,c1(SCC(=O)Nc(cc2)ccc2CC)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
15160,CO-ADD:0242736,10.73,c1(c(ccc(c1)[N+](=O)[O-])NCc2ccccn2)[N+](=O)[O-],0.0
15161,CO-ADD:0244846,10.73,C(N(c(c1)cccc1)C(=O)N2C)(C2N3)N=C4N3C(=O)\C(=C(\C5=O)/c(cc6)c(cc6)N5CC)\S4,0.0
15162,CO-ADD:0245957,10.73,C1(=O)Nc(c2N1)ccc(c2)\N=C\c(cc3)ccc3O,0.0
15163,CO-ADD:0242473,10.73,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
15164,CO-ADD:0242295,10.73,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3)ccc3OC,0.0
15165,CO-ADD:0242253,10.73,n(\N=C\c(cc1)cc(c1OC(C)=O)OC)(cnn2)c2,0.0
15166,CO-ADD:0240869,10.73,S(NCCCCCCCC)(=O)(=O)c(cc1)ccc1N2C(=O)CCC2=O,0.0
15167,CO-ADD:0242161,10.73,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C/c(ccc4c5ccc(cc5)Cl)o4)n1,0.0
15168,CO-ADD:0240236,10.73,N1(c(cc2)ccc2S(=O)(=O)N(CC=C)c3ccccc3)C(=O)c4c(cccc4)C1=O,0.0
15169,CO-ADD:0240867,10.72,N1(CN(CC2)CCO2)C(=O)C=CC(O)=N1,0.0
15170,CO-ADD:0242030,10.72,C(=CNC(N1)=O)(NC(=O)c2ccc(c(OC)c2)OC)C1=O,0.0
15171,CO-ADD:0244778,10.72,C(=O)(Nc1sccn1)c2ccc(cc2OC)SC,0.0
15172,CO-ADD:0245322,10.72,c1(C2CCCCC2)n(CCC#N)c3c(cccc3)n1,0.0
15173,CO-ADD:0245093,10.72,N(C(COc(cc1)ccc1C(OC)=O)=O)c2ncccn2,0.0
15174,CO-ADD:0245297,10.72,c1(SCC(=O)Nc2ccc(cc2C)C)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
15175,CO-ADD:0248696,10.72,FC1=C(F)C=CC(CCOC2=CN=CC3=NN=C(C4=CN=C(C(F)(F)F)C=C4)N32)=C1,0.0
15176,CO-ADD:0230488,10.72,C(=O)(N\N=C\c1ccccc1OC(=O)\C=C\c2ccccc2)c3ccc(cc3)OC,0.0
15177,CO-ADD:0228704,10.72,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
15178,CO-ADD:0230473,10.72,C(=N\Nc(nc(Nc(cc1)ccc1[N+](=O)[O-])nc2Nc(ccc(c3C)C)c3)n2)(/c4c(N5)cccc4)\C5=O,0.0
15179,CO-ADD:0230018,10.72,c1(cc(ccc1N(C)C)\C=N\n(cnn2)c2)[N+](=O)[O-],0.0
15180,CO-ADD:0228720,10.72,c12c(ccc(c1)\C=N\Cc3ccco3)OCO2,0.0
15181,CO-ADD:0228705,10.72,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-])C1=O,0.0
15182,CO-ADD:0228213,10.72,c(C#N)(c1c2ccccc2)c(\N=C\c(ccc(c3Br)OC)c3)oc1c4ccccc4,0.0
15183,CO-ADD:0228429,10.72,c1(C#N)c(c(cc2)ccc2[N+](=O)[O-])c3c(nc1N)CCCCC3,0.0
15184,CO-ADD:0228617,10.72,n1c(Nc2cccc(OC)c2)scc1c3cc(C)ccc3C.Br,0.0
15185,CO-ADD:0223240,10.72,c1(O)c(OC)cc(cc1I)\C=N\NC(COc2cccc(Cl)c2)=O,0.0
15186,CO-ADD:0228691,10.72,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1\N=C\c(ccc3[N+](=O)[O-])s3,0.0
15187,CO-ADD:0232009,10.72,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C/c(cc4)ccc4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-],0.0
15188,CO-ADD:0235943,10.72,N(=C\c1ccccc1OCc2ccccc2)/NC(Cc3ccccc3)=O,0.0
15189,CO-ADD:0235921,10.72,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(ccc(c2Cl)Cl)c2)c3ccc(cc3C)Cl,0.0
15190,CO-ADD:0231917,10.71,C(=O)(Oc1cccc(c1)\C=N\NC(=O)C(O)c2ccccc2)c3cccc(F)c3,0.0
15191,CO-ADD:0235201,10.71,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O)Br,0.0
15192,CO-ADD:0232602,10.71,C1(C(OCCOC)=O)=C(C)NC(NC1c2cc(OC)cc(OC)c2)=O,0.0
15193,CO-ADD:0232568,10.71,c1(cc(ccc1N2CCCC2)\C=N\NC(=O)c3ccccn3)[N+](=O)[O-],0.0
15194,CO-ADD:0232742,10.71,c1(C(OCC)=O)oc(c2c1C)ccc(\C=N/CC=C)c2Cl,0.0
15195,CO-ADD:0235536,10.71,c1(N2CCCCC2)nc(N\N=C\c(c(O)ccc3[N+](=O)[O-])c3)nc(Nc(cc4)ccc4F)n1,0.0
15196,CO-ADD:0235518,10.71,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c(cc(OCO2)c2c3)c3Br)F,0.0
15197,CO-ADD:0235722,10.71,C(F)(F)(F)C(=O)NC(c1ccc(cc1)OC)CC(O)=O,0.0
15198,CO-ADD:0232415,10.71,[N+](=O)([O-])c(ccc(c1\C=N\NC)N2CCCCC2)c1,0.0
15199,CO-ADD:0232407,10.71,C(=N/OC(=O)c1ccc(cc1)C)(/c2c(N3C)cccc2)\C3=O,0.0
15200,CO-ADD:0235802,10.71,c(cc(C(OCC)=O)c(n1)C)(c12)\C(=N/c(ccc3c4Cc(c35)cccc5)c4)\c6c2cccc6,0.0
15201,CO-ADD:0228424,10.71,c1(SC)sc2c(ccc(c2)NC(=O)c3ccc(cc3)OCCCC)n1,0.0
15202,CO-ADD:0230503,10.71,C(C(=O)N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)C(=O)NCC(C)C,0.0
15203,CO-ADD:0230453,10.71,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(CSCc(cc2C)cc(c2O)C)=O)C(C)(C)C,0.0
15204,CO-ADD:0232482,10.71,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cccc4[N+](=O)[O-])c4O,0.0
15205,CO-ADD:0235666,10.71,C(NCCOc1ccccc1Cl)(=O)C(NCCOc2ccccc2Cl)=O,0.0
15206,CO-ADD:0235405,10.71,[C@@]1([H])(C2=O)[C@]([H])(C(=NN1c3ccccc3)c4ccccc4)C(N2c5ccccc5)=O,0.0
15207,CO-ADD:0222967,10.7,n1c(c2ccc(cc2)OC)csc1N,0.0
15208,CO-ADD:0235406,10.7,c(c1)([N+](=O)[O-])ncn1[C@@H]2[C@@H](c3ccccc3)CC(=CC2=O)\C=C\c4ccccc4,0.0
15209,CO-ADD:0235439,10.7,C1(\N=C\c(c2)c(O)c(cc2[N+](=O)[O-])Br)=C(C)N(N(c3ccccc3)C1=O)C,0.0
15210,CO-ADD:0235213,10.7,c12c(ccc(c1)\N=C\c(cc3)ccc3OCc4ccccc4)OCCO2,0.0
15211,CO-ADD:0222960,10.7,c1(c2c(cccc2)ccc1OC(=O)c3ccccc3C)\C=N\c(cccc4C(O)=O)c4,0.0
15212,CO-ADD:0235559,10.7,n1cn[nH]c1SCC(=O)Nc2ccccc2,0.0
15213,CO-ADD:0232324,10.7,C(=O)(NCC(CCCC)CC)C(NCCC)=O,0.0
15214,CO-ADD:0235239,10.7,c1(ccccc1O)C(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
15215,CO-ADD:0232083,10.7,N(/NC(=O)Cc1cccc(cccc2)c12)=C(/C)\c3ccc(c4c3)CCCC4,0.0
15216,CO-ADD:0229986,10.7,c1(O)c(OCC)cc(cc1Br)\C=N\NC(=O)c(ccc(c23)OCCO2)c3,0.0
15217,CO-ADD:0229979,10.7,c1([nH]c(c2n1)cccc2)Sc3ccc(\C=N\NC(=O)c4c(O)cc(c5c4)cccc5)o3,0.0
15218,CO-ADD:0223166,10.7,c1(O)c(Br)cc(cc1Br)\C=N\NC(COc2c(C)cccc2C)=O,0.0
15219,CO-ADD:0228273,10.7,S(=O)(=O)(Nc1ccccc1)c2c(Cl)ccc(c2)C(=O)Nc3ccccc3,0.0
15220,CO-ADD:0228967,10.7,c1(c(ccc[n+]2C(CCCCl)=O)c2)[nH]c(c3n1)cccc3.[Cl-],0.0
15221,CO-ADD:0223809,10.7,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C(/C)\c3ccccc3,0.0
15222,CO-ADD:0228947,10.7,C12C(COCO1)Cc(cccc3)c23,0.0
15223,CO-ADD:0228056,10.7,c1(c2cccc(c2)\N=C\c(cc(C)c(c3Br)C)c3O)oc4c(ccc(C)c4)n1,0.0
15224,CO-ADD:0228134,10.7,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
15225,CO-ADD:0228090,10.7,c(\C=N\NC(=O)Cc1ccc(c(cccc2)c12)Br)(cc(OCO3)c3c4)c4Br,0.0
15226,CO-ADD:0229971,10.7,N(Cc1ccccc1)(Cc2ccccc2)C(CCC(=O)OCC(=O)c3ccc(cc3)Br)=O,0.0
15227,CO-ADD:0228192,10.7,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)NCc3ccccc3,0.0
15228,CO-ADD:0235101,10.7,c1(c(Br)cc(cc1\C=N\NC(CNc2ccccc2C)=O)Br)OC(=O)c3cccc(C)c3,0.0
15229,CO-ADD:0232669,10.7,P(c1ccccc1)(c2ccccc2)(=S)Nc3ncccn3,0.0
15230,CO-ADD:0232700,10.7,c1(\C(\CCCC2)=N\O)c2c3c(ccc(C4CCCCC4)c3)[nH]1,0.0
15231,CO-ADD:0235168,10.7,n1c2c(oc1Cc3ccccc3)ccc(c2)\N=C\c(c(O)ccc4[N+](=O)[O-])c4,0.0
15232,CO-ADD:0223341,10.7,n1nc(c2n1CNc(ccc(c3Cl)Cl)c3)cccc2,0.0
15233,CO-ADD:0235855,10.7,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2C(=O)OCC(c3ccccc3)=O,0.0
15234,CO-ADD:0235284,10.7,c1(nonc1N)\C(=N\OCC(=O)Nc2c(C)cccc2C)\Nc(cc3)ccc3C,0.0
15235,CO-ADD:0222948,10.69,C(=O)(Oc(cc1)ccc1C(C)=O)c2ccccc2Cl,0.0
15236,CO-ADD:0235876,10.69,C(=O)(c(cc1)ccc1c2ccccc2)OCC(c3ccccc3)=O,0.0
15237,CO-ADD:0222998,10.69,N1(CNc(cc2)ccc2C(OC)=O)C(=O)\C(\SC1=S)=C/c3cccc(Cl)c3Cl,0.0
15238,CO-ADD:0232231,10.69,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(ccc(c34)oc(c5ccc(c(C)c5)C)n3)c4)[N+](=O)[O-],0.0
15239,CO-ADD:0235774,10.69,c1(Cl)cc(Cl)ccc1\C=N\NC(CCC(=O)Nc(cc2)ccc2CC)=O,0.0
15240,CO-ADD:0228750,10.69,c1(sc(n2)c3ccccc3)c2sc(c4ccccc4)n1,0.0
15241,CO-ADD:0228485,10.69,N1(\N=C(/CC2)\c(no[n+]3[O-])c3C2)C(=S)SC(C)(C)C1N(O)C(NC)=O,0.0
15242,CO-ADD:0230650,10.69,c1(ccc(cc1C)C)C(C=O)=O,0.0
15243,CO-ADD:0230609,10.69,C(=O)(N\N=C\c1ccccc1OCCCCC)c2cccc(Br)c2,0.0
15244,CO-ADD:0228852,10.69,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O,0.0
15245,CO-ADD:0230356,10.69,C(=O)(c(cc1)ccc1C2CCCCC2)Nc(cc3)ccc3C(OCCCC)=O,0.0
15246,CO-ADD:0230896,10.69,C1(C#N)(C#N)[C@H](c2cccc(I)c2)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5ccc(cc5)C,0.0
15247,CO-ADD:0230048,10.69,C(Nc(c(O)ccc1[N+](=O)[O-])c1)(c(cccc2)c23)=CC(C3=O)=O,0.0
15248,CO-ADD:0230219,10.69,c1(ccccc1NC(=O)c2ccc(cc2)OC)C(=O)N\N=C\c(cc(Cl)cc3Cl)c3OC,0.0
15249,CO-ADD:0230035,10.69,N(CCO)(CCN(CCOCCN1CCO)CCO)CC1,0.0
15250,CO-ADD:0230073,10.69,S(=O)(=O)([O-])c1c(O)ccc(O)c1,0.0
15251,CO-ADD:0230880,10.69,C(F)(F)(C(=O)N\N=C\CCC\C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F,0.0
15252,CO-ADD:0223036,10.69,C(=O)(NCC1CCCO1)Nc(cc2)ccc2OCCCCCCCCCC,0.0
15253,CO-ADD:0223021,10.69,N1(CNc2cccc(Cl)c2C)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OC)OC,0.0
15254,CO-ADD:0232665,10.69,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c(ccc(c3[N+](=O)[O-])O)c3)=O,0.0
15255,CO-ADD:0232737,10.69,c1(\C(\CCC2)=N\c(cc3)ccc3OCC)c2c4c(ccc(Br)c4)[nH]1,0.0
15256,CO-ADD:0232121,10.68,c1(\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c3c(cccc3)cc(cccc4)c14,0.0
15257,CO-ADD:0232047,10.68,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(COc3c(C)cccc3C)=O,0.0
15258,CO-ADD:0231942,10.68,N(/NC(=O)Cc1ccc(c(cccc2)c12)Br)=C(/C)\c3ccc(c(OC)c3)OC,0.0
15259,CO-ADD:0235093,10.68,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccccc2C#N)=O)c3ccccc3I,0.0
15260,CO-ADD:0235096,10.68,C(=O)(Oc1cccc(c1)\C=N\NC(COc(cc2)ccc2Cl)=O)c3ccccc3Br,0.0
15261,CO-ADD:0230743,10.68,S(NCCC(=O)N\N=C(/C)\C)(=O)(=O)c1ccc(cc1)Cl,0.0
15262,CO-ADD:0230723,10.68,C(=O)(Nc(cc1)ccc1N(C)C)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O,0.0
15263,CO-ADD:0232287,10.68,C1(C(=O)OCc2ccccc2)=C(C)NC(NC1c3cccc(I)c3)=O,0.0
15264,CO-ADD:0230165,10.68,C(c1ccccc1)(=O)NC(Cc2ccccc2)C(=O)OCc3ccccc3,0.0
15265,CO-ADD:0230231,10.68,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c3ccc(cc3Cl)Cl)c2,0.0
15266,CO-ADD:0223234,10.68,c1(ccc(C(=O)Oc(cc2)ccc2\C=N\NC(COc3c(Br)cc(cc3Br)Br)=O)o1)[N+](=O)[O-],0.0
15267,CO-ADD:0228540,10.68,N(CC(N1OCC(OC)=O)=O)(C(c2ccccc2)=O)C1c(cccc3[N+](=O)[O-])c3,0.0
15268,CO-ADD:0230030,10.68,N1C(C)(C)CC(CC1(C)C)NC(COc(cc2)ccc2C(C)(C)C)=O,0.0
15269,CO-ADD:0230024,10.68,n1(c2c(C)cccc2C)nnnc1C3(CCCCC3)\N=C\c(cc4)ccc4Cl,0.0
15270,CO-ADD:0228082,10.67,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(CNc(ccc(c23)cccc2)c3)=O)c1,0.0
15271,CO-ADD:0230040,10.67,C(=O)(Nc(cc1)ccc1Cl)Nc2cccc(C)c2,0.0
15272,CO-ADD:0223737,10.67,C(=O)(N\N=C\c1ccc(Br)s1)C(C)Oc(cc2)ccc2OCCCCC,0.0
15273,CO-ADD:0230640,10.67,c1(cc(cccc2C)c2n3)c3c4c(cccc4)C1=O,0.0
15274,CO-ADD:0222945,10.67,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2C(C)=O,0.0
15275,CO-ADD:0228966,10.67,c1(c(cc2)cc[n+]2C(CCCCl)=O)[nH]c(c3n1)cccc3.[Cl-],0.0
15276,CO-ADD:0235863,10.67,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c(cc2)ccc2NC(c3ccccc3)=O,0.0
15277,CO-ADD:0235039,10.67,N(=C\c(cc1)ccc1OCc2cccc(Br)c2)/c3ccccc3O,0.0
15278,CO-ADD:0223305,10.67,c1(c2)c(c(cc2[N+](=O)[O-])c3)c(cc3[N+](=O)[O-])C(OC1=O)=O,0.0
15279,CO-ADD:0235090,10.67,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc(cc2)ccc2Cl)=O)c3ccccc3Cl,0.0
15280,CO-ADD:0235051,10.67,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(CNC(=O)c3ccccc3Br)=O)Br,0.0
15281,CO-ADD:0235598,10.67,S(=O)(=O)(c(cccc1C(=O)Nc2nnc(c3ccccc3)s2)c1)N4CCCCC4,0.0
15282,CO-ADD:0228739,10.67,C(=C/c(cc1)ccc1Br)(/c(cccn2)c23)\c(cc(C)cc4)c34,0.0
15283,CO-ADD:0228716,10.67,c1(\C=N\c(cc2)ccc2[N+](=O)[O-])c3c([nH]c1C)cccc3,0.0
15284,CO-ADD:0230468,10.67,c1(N(C)C)nc(N\N=C\c(c2)c(O)c(cc2[N+](=O)[O-])Br)nc(NCc3ccccc3)n1,0.0
15285,CO-ADD:0230253,10.67,C(OC)(=O)c1ccc(cc1)OCc2ccccc2,0.0
15286,CO-ADD:0232516,10.67,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Br)cc4[N+](=O)[O-])c4O)cccn2,0.0
15287,CO-ADD:0223626,10.67,C(COc(cc1)ccc1OC)(=O)N\N=C\c2cccc(I)c2,0.0
15288,CO-ADD:0223502,10.67,c1(N\N=C\c2ccccc2Cl)nncn1N,0.0
15289,CO-ADD:0230251,10.67,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c2ccc(cc2OC)OC,0.0
15290,CO-ADD:0223716,10.67,C(COc1cccc(Cl)c1)(=O)N\N=C\c2ccccc2Sc3ccccc3,0.0
15291,CO-ADD:0228357,10.67,C1(=O)C(\C(\C)=N/Cc(cccn2)c2)=C(NN1c(cc3)ccc3[N+](=O)[O-])C,0.0
15292,CO-ADD:0230291,10.67,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
15293,CO-ADD:0230288,10.67,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccc2OC,0.0
15294,CO-ADD:0235854,10.67,N(C(C)=O)(N=C(S1)N)C1(C)C,0.0
15295,CO-ADD:0235847,10.67,C(=O)(c1ccc(cc1)Oc(cc2)ccc2O)OCC(c3ccccc3)=O,0.0
15296,CO-ADD:0230749,10.67,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I)(=S)Nc(cc3)ccc3I,0.0
15297,CO-ADD:0235900,10.66,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)OCC(=O)c(cc2)ccc2[N+](=O)[O-])c1,0.0
15298,CO-ADD:0235053,10.66,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Cl)cc3Br)c3O)c4c(O)cc(c5c4)cccc5,0.0
15299,CO-ADD:0235326,10.66,C(F)(F)(COc1ccc(cc1NC(=O)c2cccc(cccc3)c23)Cl)C(F)F,0.0
15300,CO-ADD:0223711,10.66,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(COc2c(Br)cc(cc2Cl)Cl)=O)c1,0.0
15301,CO-ADD:0223160,10.66,N(=C(\c1ccccc1)/CCC(O)=O)/NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
15302,CO-ADD:0223553,10.66,n1(C(c2ccccc2)=O)cnc(cc(C)c(C)c3)c13,0.0
15303,CO-ADD:0223681,10.66,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)C(C)Oc(cc2)ccc2c3ccccc3,0.0
15304,CO-ADD:0223629,10.66,N(/c(cc1)ccc1C)=C\c(ccc(c23)cccc2)c3,0.0
15305,CO-ADD:0223650,10.66,s1c(\C=N\NC(COc2cccc(Cl)c2)=O)ccc1Br,0.0
15306,CO-ADD:0230260,10.66,C(=O)(N\N=C\C=C\c1ccccc1)CN(CC)c2ccccc2,0.0
15307,CO-ADD:0228550,10.66,c1(Oc(cc2)ccc2C(O)=O)nc(C)cc(COC)c1C#N,0.0
15308,CO-ADD:0232275,10.66,N1\C(=N/N=C/c(cc2)ccc2Cl)\S\C(=C\c(ccc(c3[N+](=O)[O-])Cl)c3)\C1=O,0.0
15309,CO-ADD:0230181,10.66,c1(c2ccc(OC(=O)\C=C\c3ccccc3)c1)OC(C=C2C)=O,0.0
15310,CO-ADD:0228586,10.66,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3c4ccccc4)C1=O,0.0
15311,CO-ADD:0228866,10.66,S(c1ccccc1)(=O)(=O)NCC(=O)NCC(=O)N\N=C(/C2)\CCCC2,0.0
15312,CO-ADD:0223292,10.66,c1(\C=N/NC(N)=S)c2c(cccc2)cc(cccc3)c13,0.0
15313,CO-ADD:0231950,10.66,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3cc(C)ccc3O,0.0
15314,CO-ADD:0235317,10.66,C(C1=O)(C23Br)C(C(N1c(cc4)ccn4)=O)C(c(cccc5)c25)(c6c3cccc6)Br,0.0
15315,CO-ADD:0232230,10.66,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c4cc(Cl)ccc4O,0.0
15316,CO-ADD:0235324,10.66,C1(C)(OCCO1)CC(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
15317,CO-ADD:0235940,10.66,C(=O)(c1ccc(cc1)OC)Nc(cc2)ccc2C(=O)NNC(=O)c3ccc(cc3)OC,0.0
15318,CO-ADD:0223642,10.66,c1(\C=N\NC(COc(cc2)ccc2Cl)=O)cc(Br)ccc1OCC,0.0
15319,CO-ADD:0228387,10.66,c1(NC(C)=O)c2c(oc1C(C)=O)cccc2,0.0
15320,CO-ADD:0230134,10.66,c1(ccccc1OCc2ccccc2)C(=O)N\N=C\c3ccccc3Cl,0.0
15321,CO-ADD:0223706,10.66,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cc(C)ccc2C(C)C)=O)OC(C)=O)c1,0.0
15322,CO-ADD:0228225,10.66,c1(C(OCC)=O)c(cc(O)cc2)c2n(c3ccccc3)c1CN(CC4)CCO4.Cl,0.0
15323,CO-ADD:0230389,10.66,C(=O)(N\N=C\c(ccc(c1OCC)O)c1)C(NCCOC)=O,0.0
15324,CO-ADD:0228459,10.66,N1(CCc2ccccc2)C(=O)C(C(C1=O)C34C(OC)OC)C(c(c35)cccc5)c(c46)cccc6,0.0
15325,CO-ADD:0230329,10.66,c1(c(ccc(c1)[N+](=O)[O-])Oc2ccc(cc2OC)\C=N\c(cc3)ccc3OC)[N+](=O)[O-],0.0
15326,CO-ADD:0228093,10.66,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3cc(Cl)ccc3O,0.0
15327,CO-ADD:0223572,10.66,C(COc(cc1)ccc1C)(=O)Nc(cc2)ccn2,0.0
15328,CO-ADD:0232048,10.66,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cc(Br)cc4Br)c4O,0.0
15329,CO-ADD:0232449,10.66,c1(c(O)c(\C=N\c(ccc(c23)oc(c4ccc(c(Cl)c4)Cl)n2)c3)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
15330,CO-ADD:0235897,10.66,N1(c2cc(C)ccc2C)C(=O)c(c3C1=O)cccc3,0.0
15331,CO-ADD:0235610,10.66,n1(nnnc1C(c2ccccc2)N3CCCCC3)C(C(C)(C)C)C(Oc(cc4)ccc4Cl)n(c5)ncn5,0.0
15332,CO-ADD:0232654,10.65,N(\C(=C\c(ccc(c12)OCO1)c2)\C(O3)=O)=C3c4ccc(cc4)C,0.0
15333,CO-ADD:0235960,10.65,[N+](=O)([O-])c1cccc(\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)c1O,0.0
15334,CO-ADD:0232431,10.65,C(CC(=O)Nc(ccc(c12)c3c(cccc3)o1)c2)(c4c5cccc4)c6c(O5)cccc6,0.0
15335,CO-ADD:0232717,10.65,c1(C(OCC)=O)sc2c(cccc2NC(=O)c(cc3)ccc3[N+](=O)[O-])c1NC(=O)c(cc4)ccc4[N+](=O)[O-],0.0
15336,CO-ADD:0228634,10.65,n1(nnc(C)c1C(=O)N\N=C\c2cccc(OC)c2)c3nonc3N,0.0
15337,CO-ADD:0230295,10.65,c1(c2ccccn2)[nH]c(c3n1)cccc3,0.0
15338,CO-ADD:0228310,10.65,c1(cc(ccc1N2CCCC2)\C=N\c(ccc(c34)c5c(cccc5)o3)c4)[N+](=O)[O-],0.0
15339,CO-ADD:0223690,10.65,c1(\C=N\NC(COc(ccc(c23)cccc2)c3)=O)cc(OC)ccc1Br,0.0
15340,CO-ADD:0228893,10.65,C(F)(F)(C(F)(F)COc1ccccc1NC(=O)c2cccc(cccc3)c23)C(F)(F)C(F)F,0.0
15341,CO-ADD:0228858,10.65,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\C(\C)=C\c(cc2)ccc2\C=C(\C)/C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O,0.0
15342,CO-ADD:0230444,10.65,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)Oc(cc2)ccc2C3CCCCC3,0.0
15343,CO-ADD:0230816,10.65,C(CSCc(cc1)ccc1Br)(=O)N\N=C\c2ccccc2,0.0
15344,CO-ADD:0230828,10.65,C(C(c1ccc(cc1)OCCCC)Nc(cc2)ccc2CC)C(=O)c3ccc(cc3)C,0.0
15345,CO-ADD:0228819,10.65,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc3ccc(cc3[N+](=O)[O-])Cl,0.0
15346,CO-ADD:0230675,10.65,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C\c(ccc(c3OC)OCC=C)c3,0.0
15348,CO-ADD:0235625,10.65,C(/c1ccccc1F)=C\C(\C)=N/NC(CCCCCCC)=O,0.0
15349,CO-ADD:0235953,10.65,[N+](=O)([O-])c1cccc(\C=N\NC(COc2ccccc2C#N)=O)c1O,0.0
15350,CO-ADD:0235599,10.65,C1(C(OCC)=O)=C(C)NC(NC1c2c(ccc(cccc3)c23)OCC(=O)N4CCCCC4)=O,0.0
15351,CO-ADD:0232655,10.65,N1C(C)(C)CC(CC1(C)C)NC(=O)CC#N,0.0
15352,CO-ADD:0232518,10.65,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O,0.0
15353,CO-ADD:0232517,10.65,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O,0.0
15354,CO-ADD:0228089,10.65,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(ccc(c3OCC)O)c3,0.0
15355,CO-ADD:0228333,10.65,N1(C(c2ccc(cc2)F)CC(c(cccc3[N+](=O)[O-])c3)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N6CCCCC6)n4.Br,0.0
15356,CO-ADD:0222952,10.65,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc(cc3)ccc3I,0.0
15357,CO-ADD:0223481,10.65,c(c(C)nn1c2ccc(cc2)Cl)(\C=C(/C(C)=NN3c4ccc(cc4)Cl)\C3=O)c1O,0.0
15358,CO-ADD:0232219,10.65,c1(\C=N\c(cc(cc2c3oc(c4n3)ccc(c4)\N=C\c5c(O)c(OC)cc(Br)c5Br)\N=C\c6c(O)c(OC)cc(Br)c6Br)c2)c(O)c(OC)cc(Br)c1Br,0.0
15359,CO-ADD:0223210,10.65,C(=O)(Oc1cccc(c1)\C=N\NC(COc2c(C)cccc2C)=O)c3ccco3,0.0
15360,CO-ADD:0230150,10.64,P(OCC)(Oc(cc1)ccc1[N+](=O)[O-])(Oc(cc2)ccc2[N+](=O)[O-])=S,0.0
15361,CO-ADD:0223693,10.64,C(=O)(N\N=C\c1cccc(OC)c1OC)C(Oc2ccccc2)Oc3ccccc3,0.0
15362,CO-ADD:0230662,10.64,C(=C\c(ccc(c1OC)OC)c1)(/c2c3cccc2)\c(c4)c3cc(c(cc(C)n5)C)c45,0.0
15363,CO-ADD:0228085,10.64,C1(c2ccccc2Br)=N\C(\C(=O)O1)=C/c(cc3)ccc3OCc4ccccc4,0.0
15364,CO-ADD:0228195,10.64,S(=O)(=O)(N1CCCCC1)c2c(C)ccc(c2)C(=O)Nc(cc3)ccc3[N+](=O)[O-],0.0
15365,CO-ADD:0230090,10.64,B(c1ccccc1)(OC(C)CC2P(c3ccccc3)(c4ccccc4)=O)O2,0.0
15366,CO-ADD:0235149,10.64,C(=O)(Oc1cccc(c1)\C=N\NC(COc2c(C)cccc2C)=O)c3ccccc3Cl,0.0
15367,CO-ADD:0223375,10.64,C(c(cc1)ccn1)(=O)N\N=C\c(cc2)ccc2OCCCC,0.0
15368,CO-ADD:0232521,10.64,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(COc3ccccc3C#N)=O,0.0
15369,CO-ADD:0235444,10.64,c(c1SC)(c(SC)sn1)C(=O)Oc2c(cccc2C=O)OC,0.0
15370,CO-ADD:0235344,10.64,n1(c2c(nc1SCC(=O)N(CC)CC)cccc2)C(OCCCl)=O,0.0
15371,CO-ADD:0235881,10.64,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c2ccc(cc2)Cl,0.0
15372,CO-ADD:0223669,10.64,c1(\C=N\NC(=O)c2ccc(cc2)Br)cc(Br)ccc1OCCC,0.0
15373,CO-ADD:0230862,10.64,[N+](=O)([O-])c1ccc(cc1)CC(=O)N\N=C\c(cc2)ccc2C#N,0.0
15374,CO-ADD:0223211,10.64,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(COc(cc3)ccc3Cl)=O)[N+](=O)[O-],0.0
15375,CO-ADD:0228518,10.64,C1(C#N)(C#N)[C@H](c2ccc(cc2)F)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5cccs5,0.0
15376,CO-ADD:0223094,10.64,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4OCC)cc(c4O)Cl,0.0
15377,CO-ADD:0235507,10.64,C(c1ccccc1NC(=O)\C=C/C(O)=O)#Cc2ccccc2,0.0
15378,CO-ADD:0235008,10.64,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(CNC(=O)c3ccco3)=O,0.0
15379,CO-ADD:0235244,10.64,C(=N\c(cc1)ccc1C#N)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
15380,CO-ADD:0223245,10.64,c(\C=N\NC(=O)c(cccn1)c1)(cc(Br)cc2I)c2O,0.0
15381,CO-ADD:0232261,10.64,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(cc2)ccc2Cl,0.0
15382,CO-ADD:0235013,10.64,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c3ccccc3Cl,0.0
15383,CO-ADD:0232547,10.64,C(/C=C1C)(\C=C(C1=O)C)=C(\C=C2C)/C=C(C2=O)C,0.0
15384,CO-ADD:0232222,10.64,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c4cccc(OC)c4O,0.0
15385,CO-ADD:0228372,10.64,N1(C(c2ccc(cc2)OC)CC(c3ccc(cc3)OC)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N6CCCC6)n4.Br,0.0
15386,CO-ADD:0228246,10.64,C(=C\c(ccc1c(cccc2[N+](=O)[O-])c2)o1)(/C(=O)NN3c4ccccc4)\C3=O,0.0
15387,CO-ADD:0230589,10.64,C(=O)(Nc1ccccc1C(=O)N\N=C\c2ccc(C)o2)c3ccccc3Br,0.0
15388,CO-ADD:0223725,10.64,c1(Br)c2c(cccc2)ccc1OC(CC)C(=O)N\N=C\c3cc(OC)ccc3OCC,0.0
15389,CO-ADD:0230606,10.64,[N+](=O)([O-])c1ccccc1NC(CSc2oc(c3n2)cccc3)=O,0.0
15390,CO-ADD:0228694,10.63,N1(C(c2ccc(cc2)F)CC(c(cccc3[N+](=O)[O-])c3)=N1)c4scc(c5ccc(cc5)F)n4.Br,0.0
15391,CO-ADD:0229975,10.63,C(COc1cccc(Br)c1)(=O)N\N=C\c2cccs2,0.0
15392,CO-ADD:0230169,10.63,[N+](=O)([O-])c1ccc(cc1)COC(CCCC(=O)Nc2ccccc2)=O,0.0
15393,CO-ADD:0232106,10.63,C(=O)(Oc1cccc(c1)\C=N\NC(COc2cccc(C)c2)=O)c3cccc(F)c3,0.0
15394,CO-ADD:0232098,10.63,C(COc1ccccc1C)(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
15395,CO-ADD:0232622,10.63,C1(C2c3ccc(cc3Cl)Cl)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC4=O)=C24,0.0
15396,CO-ADD:0232740,10.63,c1(c2c(s3)CCCC2)c3N=C(CCCC4)N4C1=O,0.0
15397,CO-ADD:0235805,10.63,C(=C\c(ccc(c1OC)OC)c1)(/c2c3cccc2)\c(cc(cccc4)c4n5)c35,0.0
15398,CO-ADD:0231981,10.63,N1(c2ccccc2[N+](=O)[O-])C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
15399,CO-ADD:0248380,10.63,ClC1=CC=C2C(N(CC3=CC=CC=C3)C(C4=CSC=N4)=N2)=C1,0.0
15400,CO-ADD:0228455,10.63,N1(c2ccccn2)C(=O)CSC1c(cc(C(C)(C)C)c(c3C(C)(C)C)O)c3,0.0
15401,CO-ADD:0228023,10.63,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C\c2cccc(O)c2,0.0
15402,CO-ADD:0228895,10.63,O1C(=O)c2c(cc(cc2)Oc(cc3)ccc3NC(=O)C(C)(C)C)C1=O,0.0
15403,CO-ADD:0231994,10.63,c1(oc(c2n1)ccc(c2)\N=C\c(cc(I)cc3I)c3O)c4cc(Cl)ccc4Cl,0.0
15404,CO-ADD:0229992,10.63,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc(cc4)ccc4Cl,0.0
15405,CO-ADD:0232543,10.63,C1(NC(=O)C(OC)(F)C(F)(F)F)=C(C)N(N(c2ccccc2)C1=O)C,0.0
15406,CO-ADD:0232744,10.63,[nH]1c(cccc2)c2c3c1CCCCC3,0.0
15407,CO-ADD:0232804,10.63,N(c1c(C)cc(cc1C)C)C(=O)C(=O)NCC(C)O,0.0
15408,CO-ADD:0232313,10.63,c1(N\N=C/c2ccccc2)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
15409,CO-ADD:0235924,10.63,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(c2)cc(cc2C)C)c3ccc(cc3C)Cl,0.0
15410,CO-ADD:0232329,10.63,[N+](=O)([O-])c(cc1)cc(c1NC2OCC(C(O)C2O)O)C,0.0
15411,CO-ADD:0232285,10.63,C1(C(OC)=O)=C(C)NC(NC1c2cc(Cl)cc(Cl)c2OC)=O,0.0
15412,CO-ADD:0223127,10.63,c(\C=N\NC(CNc1cccc(C)c1)=O)(cc(I)cc2I)c2O,0.0
15413,CO-ADD:0230494,10.63,C(N)(=O)N\N=C(\Cc1ccccc1)/Cc2ccccc2,0.0
15414,CO-ADD:0228360,10.62,c12c(c(nn1c3ccccc3)C)cc(C(NCC)=O)s2,0.0
15415,CO-ADD:0230505,10.62,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)C(=O)Nc(cc3)ccc3OCC,0.0
15416,CO-ADD:0228896,10.62,C(=O)(NC1CCCCC1)C(NCCC(C)C)=O,0.0
15417,CO-ADD:0228636,10.62,n1(nnc(C)c1C(=O)N\N=C\c2ccc(cc2Cl)Cl)c3nonc3N,0.0
15418,CO-ADD:0230337,10.62,C1(c2cccc(Cl)c2)N(c3ccc(cc3)C)CCN1c4ccc(cc4)C,0.0
15419,CO-ADD:0232054,10.62,c1(c(Br)cc(cc1\C=N\NC(COc(cc2)ccc2C)=O)Br)OC(=O)c3cccc(F)c3,0.0
15420,CO-ADD:0235364,10.62,N(c1cc(C)ccc1C)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
15421,CO-ADD:0235290,10.62,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c4cc(Br)ccc4OC(=O)c5ccco5,0.0
15422,CO-ADD:0222973,10.62,C(=O)(N\N=C\c1c(cccc1F)Cl)C(=O)NCC2CCCO2,0.0
15423,CO-ADD:0235125,10.62,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc2ccccc2C)=O)c3ccccc3Br,0.0
15424,CO-ADD:0232722,10.62,O(CC(C)C)c1ccccc1O,0.0
15425,CO-ADD:0230614,10.62,c(cc(C(OCC)=O)c(n1)C)(c12)\C(=N\c(cc3)ccc3OC)\c4c2cccc4,0.0
15426,CO-ADD:0228064,10.62,c1(oc(c2n1)ccc(Cl)c2)c3cc(ccc3Cl)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
15427,CO-ADD:0230139,10.62,C(=O)(N\N=C\c1ccccc1Cl)C(C)Oc(ccc(c23)cccc2)c3,0.0
15428,CO-ADD:0230558,10.62,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc2ccccc2OC(C)C)c1,0.0
15429,CO-ADD:0230841,10.62,C(=N\O)(/C(OCC)=O)\C(\C)=N\NC(=O)c(cc1OC)cc(c1OC)OC,0.0
15430,CO-ADD:0223454,10.62,C(c1ccccc1)(=O)NC(Cc2ccccc2)C(=O)N\N=C\c(cc3)ccc3Br,0.0
15431,CO-ADD:0230411,10.62,c(c1ccccc1c([nH]nn2)n2)([nH]nn3)n3,0.0
15432,CO-ADD:0223780,10.62,C(C(N)c1ccc(cc1)OC)C(O)=O,0.0
15433,CO-ADD:0223803,10.62,[N+](=O)([O-])c1ccccc1\C=C\C(=O)Nc2cccc(C)c2,0.0
15434,CO-ADD:0223131,10.62,c(\C=N\NC(COc(cc1)ccc1Cl)=O)(c(cccc2)c2n3C)c3,0.0
15435,CO-ADD:0228449,10.62,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCSC3c4ccccc4,0.0
15436,CO-ADD:0223104,10.62,c1(Br)c(O)c(\C=N\NC(COc(cc2)ccc2Cl)=O)cc(Br)c1O,0.0
15437,CO-ADD:0235157,10.61,C(=O)(Oc1cccc(c1)\C=N\NC(CNc(cc2)ccc2C)=O)c3ccccc3Br,0.0
15438,CO-ADD:0231915,10.61,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(c(cc3)ccn3)=O,0.0
15439,CO-ADD:0232477,10.61,n1c2c(oc1c3cccc(c3)\N=C\c(cc4)ccc4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])cccc2C,0.0
15440,CO-ADD:0232626,10.61,n1c(c2ccccc2)csc1N\N=C\c(cc(Cl)cc3Cl)c3O,0.0
15441,CO-ADD:0232734,10.61,c1(c(C)cccc1C)NC(CNc2ccccc2)=O,0.0
15442,CO-ADD:0232799,10.61,C1(O)(c2ccccc2)Oc(cccc3)c3N=C1c4ccccc4,0.0
15443,CO-ADD:0232467,10.61,n1c2c(oc1c3cccc(c3)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])OC)cccc2C,0.0
15444,CO-ADD:0223595,10.61,S(=O)(=O)(c1ccc(cc1)\N=C\c(ccc(c2OC)OC)c2)Nc3cc(OC)nc(OC)n3,0.0
15445,CO-ADD:0228914,10.61,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)N\N=C\c(cc3)ccc3OCCCC,0.0
15446,CO-ADD:0228320,10.61,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)NCc2ccccn2,0.0
15447,CO-ADD:0232341,10.61,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)Nc3ccccc3Br,0.0
15448,CO-ADD:0230500,10.61,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)C(=O)NC(C)C,0.0
15449,CO-ADD:0228621,10.61,[N+](=O)([O-])c1c(\C=N\NC(COc2ccccc2)=O)cc(c3c1)OCO3,0.0
15450,CO-ADD:0228227,10.61,N1(c2ccc(cc2)OCC)C(=O)NC(\C(=C/c(ccc(c3[N+](=O)[O-])N(C)C)c3)\C1=O)=O,0.0
15451,CO-ADD:0223740,10.61,c1(csc(\C=N\NC(COc(cc2)ccc2C(C)C)=O)c1)[N+](=O)[O-],0.0
15452,CO-ADD:0223129,10.61,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc(Br)cc2I)c2O,0.0
15453,CO-ADD:0228401,10.61,N(C(=O)\C(\S1)=C/c(cc2)ccc2OC)=C1N3CCCCC3,0.0
15454,CO-ADD:0235608,10.61,c1(Nc2ccccc2)nc(N\N=C\c(c3c([nH]4)cccc3)c4)nc(NC)n1,0.0
15455,CO-ADD:0232196,10.61,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c4c(O)c(OC)cc(Br)c4Br,0.0
15456,CO-ADD:0231976,10.61,c(\C=N\c1ccc(cc1C)Cl)(c(C)c2Cl)c(O)c(c2C)Br,0.0
15457,CO-ADD:0235509,10.61,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3OC)OCC(OCC)=O)c3,0.0
15458,CO-ADD:0222863,10.61,C(=O)(c1ccc(cc1)F)Nc(cc2)ccc2OCCCC,0.0
15459,CO-ADD:0223039,10.61,N1(c2ccc(cc2)C)C(=O)C(C(C1=O)C34\C=N\NC(=O)C(NCCC)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
15460,CO-ADD:0223024,10.61,S(c1ccccc1)(=O)(=O)N(c2ccc(c(C)c2)C)CC(NCCOCc3ccccc3)=O,0.0
15461,CO-ADD:0228775,10.61,C(=O)(c1ccc(cc1)OCCCCCC)Oc(cc2)ccc2c3ccc(cc3)OC(=O)c4ccc(cc4)OCCCCCC,0.0
15462,CO-ADD:0230485,10.61,C(=O)(Nc1ccc(cc1C)Cl)C(=O)NC(C)CC,0.0
15463,CO-ADD:0231971,10.6,c1(oc(c2n1)ccc(c2)\C=N\c(cc(Cl)cc3[N+](=O)[O-])c3O)c4cc(Cl)ccc4Cl,0.0
15464,CO-ADD:0223486,10.6,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3N\C=C(\C(C)=NN4c5ccc(c(C)c5)C)/C4=O)Cl)c3,0.0
15465,CO-ADD:0232232,10.6,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
15466,CO-ADD:0228793,10.6,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3,0.0
15467,CO-ADD:0228039,10.6,n1c2c(oc1c3cccc(c3)\N=C\c(cc(C)c(c4Br)C)c4O)ccc(C)c2,0.0
15468,CO-ADD:0229948,10.6,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C\c3cccs3,0.0
15469,CO-ADD:0230217,10.6,C(=O)(N\N=C\c(cc1)ccc1N(C)C)c2ccc(cc2)OCCCCCCCCCC,0.0
15470,CO-ADD:0230376,10.6,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c(cc2)ccc2c(cccc3C(=O)OCC(=O)c(cc4)ccc4[N+](=O)[O-])c3,0.0
15471,CO-ADD:0230856,10.6,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc(c3O)O)c3,0.0
15472,CO-ADD:0230638,10.6,c1(sccc1C)\C=N\c2cccc3c2cccc3\N=C\c4sccc4C,0.0
15473,CO-ADD:0235522,10.6,N1(c2cccc(cccc3)c23)C(=O)C4C(C(\C(=C(\C)/C)\C45)C=C5)C1=O,0.0
15474,CO-ADD:0222899,10.6,c1(cc(Br)ccc1OC)\C=N\c2ccccc2Br,0.0
15475,CO-ADD:0232817,10.6,C(=O)(Nc(cc1)ccc1C(OC)=O)CC(OCC)=O,0.0
15476,CO-ADD:0222857,10.6,C(CCCC(O)=O)(=O)Nc(cc1)ccc1I,0.0
15477,CO-ADD:0235010,10.6,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c3ccccc3I,0.0
15478,CO-ADD:0223249,10.6,c1(c(\C=N\NC(COc(ccc(c2C)C)c2)=O)ccc(OC(C)=O)c1OC)[N+](=O)[O-],0.0
15479,CO-ADD:0235743,10.6,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
15480,CO-ADD:0235673,10.6,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)OC,0.0
15481,CO-ADD:0230741,10.6,N(=C(/C)\c1ccccc1)/NC(COc2ccc(cc2Br)Cl)=O,0.0
15482,CO-ADD:0232200,10.6,C(C(=O)N\N=C\c1cc(Br)ccc1OC(=O)c2ccc(cc2)Br)(C3)=NNC3(c4ccccc4)c5ccccc5,0.0
15483,CO-ADD:0232599,10.6,C1(C(OCCOC)=O)=C(C)NC(NC1c(ccc(c2[N+](=O)[O-])O)c2)=O,0.0
15484,CO-ADD:0235642,10.6,N1(CCCCC1C(=O)Nc2c(C)cc(cc2C)C)C3CCCCC3.Cl,0.0
15485,CO-ADD:0229955,10.6,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C\c(ccc(c34)OCO3)c4,0.0
15486,CO-ADD:0228820,10.6,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc(cc3)c(C)cc3[N+](=O)[O-],0.0
15487,CO-ADD:0230671,10.6,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(ccc(c3OCC)OCC=C)c3,0.0
15488,CO-ADD:0232041,10.6,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3Cl)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br,0.0
15489,CO-ADD:0230375,10.6,N1(c(cc2)ccc2C(OCCCCCCCC)=O)C(=O)c(c3C1=O)ccc(C(=O)c(ccc(c4C5=O)C(N5c(cc6)ccc6C(OCCCCCCCC)=O)=O)c4)c3,0.0
15490,CO-ADD:0235626,10.6,C(CCCCCCCCCCCCCCCCC)(NCCOc1cccc(OC)c1)=O,0.0
15491,CO-ADD:0230294,10.6,c1(c(cc2)ccn2)[nH]c(c3n1)cccc3,0.0
15492,CO-ADD:0230892,10.6,C(=C/c(cc1)ccc1OCCCCC)(/c2c3ccc(c2)[N+](=O)[O-])\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
15493,CO-ADD:0235579,10.6,C(=C/c1ccccc1F)(/C(C)=NN2c3ccc(c(Cl)c3)Cl)\C2=O,0.0
15494,CO-ADD:0223083,10.59,c1(\C(\CCC2)=N/OC(=O)c3ccc(cc3)Oc4ccccc4)c2cc(c(C)c1)OC,0.0
15495,CO-ADD:0228536,10.59,N12C(S\C(=C/c3ccccc3C)\C1=O)=C(C(c4ccccc4C)C(C#N)=C2N)C(OCC)=O,0.0
15496,CO-ADD:0223585,10.59,C(COc(ccc(c1C)C)c1)(=O)Nc(cccc2C(C)=O)c2,0.0
15497,CO-ADD:0235491,10.59,c12c(cccc1\N=C\c3ccc(Br)s3)C(=O)NNC2=O,0.0
15498,CO-ADD:0235074,10.59,C(=O)(Oc1cccc(c1)\C=N\NC(CNc(cc2)ccc2C)=O)c3cccc(Br)c3,0.0
15499,CO-ADD:0223042,10.59,C(=O)(C(NCCc1ccccc1F)=O)Nc2ccccc2C,0.0
15500,CO-ADD:0223034,10.59,N1(CNc2cccc(F)c2)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OC)OC,0.0
15501,CO-ADD:0235091,10.59,C(=O)(Oc1cccc(c1)\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)c3ccccc3Cl,0.0
15502,CO-ADD:0235083,10.59,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)Cc2cccc(cccc3)c23)c4cccc(Br)c4,0.0
15503,CO-ADD:0223385,10.59,C(=N/NC(=O)c1ccccc1[N+](=O)[O-])(/c2c(N3C)cccc2)\C3=O,0.0
15504,CO-ADD:0230547,10.59,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C(/C)\c3ccc(cc3)I,0.0
15505,CO-ADD:0230555,10.59,C(=O)(N\N=C\c1ccc(cc1OCC)OCC)c2ccc(cc2)F,0.0
15506,CO-ADD:0230526,10.59,C(=O)(c1ccc(cc1)COc(cc2)ccc2C)Nc3ccccc3,0.0
15507,CO-ADD:0228058,10.59,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c2ccco2,0.0
15508,CO-ADD:0230031,10.59,N1(CCCC1C(=O)Nc2c(C)cc(cc2C)C)C3C(CC(CC34)CC5(C4)O)C5,0.0
15509,CO-ADD:0230870,10.59,C(=C/c(cc1)ccc1OCCCCC)(/c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c23)\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
15510,CO-ADD:0229957,10.59,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c5ccco5)O1,0.0
15511,CO-ADD:0228473,10.59,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)Nc3sccn3,0.0
15512,CO-ADD:0229990,10.59,N#CCC(=O)N\N=C\c1cccc(Cl)c1Cl,0.0
15513,CO-ADD:0228329,10.59,c1(C#N)c(c2ccc(cc2)Br)c3c(nc1N)CCCCCC3,0.0
15514,CO-ADD:0230211,10.59,C(=O)(N\N=C\c(cc1)ccc1OC)c2ccc(cc2)OCCCCCCCCCC,0.0
15515,CO-ADD:0235279,10.59,n1c(N)[nH]nc1c2ccccc2I,0.0
15516,CO-ADD:0235264,10.59,C(CC(=O)Nc1ccccc1C#N)(c2c3cccc2)c4c(O3)cccc4,0.0
15517,CO-ADD:0235894,10.59,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(Cc2ccccc2)=O,0.0
15518,CO-ADD:0235333,10.59,C12=C(CCc(cccc3)c13)C(NC(=O)N2)c4ccccc4,0.0
15519,CO-ADD:0235955,10.59,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)ccc2C(O)=O,0.0
15520,CO-ADD:0230720,10.59,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c2ccccc2C,0.0
15521,CO-ADD:0248375,10.59,ClC1=C2C(N(CC3=CC=C(C#N)C=C3)C(C4=CSC=N4)=N2)=CC=C1,0.0
15522,CO-ADD:0230171,10.59,N(=C(\C)/c1ccccc1)/NC(=O)c2ccc(cc2)OCCCCCCCC,0.0
15523,CO-ADD:0230178,10.59,[N+](=O)([O-])c1ccc(cc1)CSc2nc(C)cc(C)n2,0.0
15524,CO-ADD:0229958,10.58,C1(c2ccccc2)(c3ccccc3)OC(C)=Nc(cccc4)c14,0.0
15525,CO-ADD:0223248,10.58,c1(\C=N\NC(=O)Cc2cccc(cccc3)c23)cc(Cl)ccc1OC,0.0
15526,CO-ADD:0232185,10.58,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(=O)c(ccc(c34)OCCO3)c4)Br,0.0
15527,CO-ADD:0232583,10.58,C(=O)(N\N=C\c1ccccn1)c2ccccn2,0.0
15528,CO-ADD:0232214,10.58,c1(\C=N\c(cc2)ccc2F)c(O)c(OC)cc(Br)c1Br,0.0
15529,CO-ADD:0232208,10.58,c1(c(Br)cc(cc1\C=N\NC(COc2ccccc2C)=O)Br)OC(c3ccccc3)=O,0.0
15530,CO-ADD:0232713,10.58,c1(\C(\CCC2)=N\N=C/c(cc3)ccc3N(C)C)c2c4c(ccc(C5CCCCC5)c4)[nH]1,0.0
15531,CO-ADD:0235632,10.58,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)ccc2C(=O)C(C#N)C(OCC)=O,0.0
15532,CO-ADD:0235944,10.58,c1(OCC(=O)N\N=C\c(ccc2I)o2)c(Br)cc(cc1Br)Br,0.0
15533,CO-ADD:0235782,10.58,C(=O)(C\C(\C)=N/NC(=O)c1ccccc1Br)N2CCCC2,0.0
15534,CO-ADD:0235884,10.58,N1(c(cc2)ccc2C(OCCCCCCCC)=O)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
15535,CO-ADD:0235624,10.58,c1(C(=O)NCc2ccccn2)c(Cl)c3c(cccc3)s1,0.0
15536,CO-ADD:0235158,10.58,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c4ccccc4[N+](=O)[O-],0.0
15537,CO-ADD:0235478,10.58,s1c(c2ccccc2)nnc1NC(CSc3nc(C)cc(C)n3)=O,0.0
15538,CO-ADD:0232689,10.58,C1(C(OCCCC)=O)=C(C)NC(NC1c2cccc(F)c2)=O,0.0
15539,CO-ADD:0232453,10.58,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(ccc(c3OC)O)c3,0.0
15540,CO-ADD:0235395,10.58,N1(CCc(ccc(c2OC)OC)c2)C(=O)C(C3C1=O)C(C=C4)C5(C34)CC5,0.0
15541,CO-ADD:0222956,10.58,C(O)(=O)c1cccc(c1)\N=C\c(cc2)ccc2N(CC)CC,0.0
15542,CO-ADD:0223474,10.58,n(c(OC)nc(n1)OC)c1NCC=C,0.0
15543,CO-ADD:0230576,10.58,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)Nc2cccc(F)c2,0.0
15544,CO-ADD:0228230,10.58,c(C#N)(c1c2ccccc2)c(\N=C\c(cc3)ccc3Cl)oc1c4ccccc4,0.0
15545,CO-ADD:0228450,10.57,N1(c2ccc(cc2)OC)C(=O)\C(=C\c(c(cccc3)c3n4C(C)=O)c4)\C(NC1=S)=O,0.0
15546,CO-ADD:0228603,10.57,c1(\C=N\NC(CCc2ccccc2)=O)c3c([nH]c1C)cccc3,0.0
15547,CO-ADD:0235443,10.57,c1(NC(CSCC(O)=O)=O)sc(c(ccc2C(OC)=O)n1)c2,0.0
15548,CO-ADD:0235723,10.57,C(C1)(CN(C2)CN3CN12)(C3)C(=O)c(cccc4[N+](=O)[O-])c4,0.0
15549,CO-ADD:0232765,10.57,C1(C2=O)C(NN=C1C(OC)=O)C(N2c3ccc(cc3)C)=O,0.0
15550,CO-ADD:0232078,10.57,c1(c(Br)cc(cc1\C=N\NC(COc(cc2)ccc2C)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
15551,CO-ADD:0235856,10.57,C(C)(C)(c1ccc(cc1)Oc(cc2)ccc2NC(COc3ccccc3C)=O)c4ccc(cc4)Oc(cc5)ccc5NC(COc6ccccc6C)=O,0.0
15552,CO-ADD:0235029,10.57,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2c3ccccc3,0.0
15553,CO-ADD:0248694,10.57,ClC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4=CC=CC=C4)N32,0.0
15554,CO-ADD:0232301,10.57,c1(ccccc1O)C(=O)N\N=C(\CC2(C)C)/CC(N2)(C)C,0.0
15555,CO-ADD:0228245,10.57,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(ccc3c(ccc(c4Cl)OC)c4)o3,0.0
15556,CO-ADD:0228675,10.57,N1(c2cccc(C)c2C)C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(\C)/C,0.0
15557,CO-ADD:0228880,10.57,C(=CCCC1(C)C)(CC(\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)C(C4)C)C14,0.0
15558,CO-ADD:0223439,10.57,N(C(c1ccccc1)C(OCCCCCCCC)=O)C(c2ccccc2)=O,0.0
15559,CO-ADD:0228669,10.57,N(CC(N1CC(OC)=O)=O)(C1=O)c2nc(N(C)C)nc(N(C)C)n2,0.0
15560,CO-ADD:0223483,10.57,c1(N=Nc(ccc(c2\C=N/c(cc3)ccc3C)O)c2)nonc1N,0.0
15561,CO-ADD:0223794,10.57,C(C(C)(C)C)(=C\C(=C/c1ccccc1)\C=C2C(C)(C)C)C2=O,0.0
15562,CO-ADD:0223800,10.57,c1(O)c(cc(cc1C(C)(C)C)Cl)C(C)(C)C,0.0
15563,CO-ADD:0223514,10.57,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/NNc3ccccc3C,0.0
15564,CO-ADD:0228353,10.57,C(=C\Nc1ccccc1C(F)(F)F)(/C(=O)C2)\C(=O)CC2(C)C,0.0
15565,CO-ADD:0228428,10.57,c1(C#N)c(c2ccc(cc2)Br)c3c(nc1N)CCCCC3,0.0
15566,CO-ADD:0223332,10.57,n1nc(c2n1CNc3ccc(cc3OC)OC)cccc2,0.0
15567,CO-ADD:0223275,10.57,c1(c(OCCCC(=O)Nc(ccc(c2NC(=O)CC(=O)C(C)(C)C)Cl)c2)ccc(C(C)(C)CC)c1)C(C)(C)CC,0.0
15568,CO-ADD:0235256,10.57,c(cc(Cl)cc1Cl)(\C=N\c(cc2)ccc2Nc3ccccc3)c1O,0.0
15569,CO-ADD:0232060,10.57,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c2cc(OCC)ccc2O)c1,0.0
15570,CO-ADD:0232270,10.57,c1(N(CC2)CCO2)nc(NC)nc(N\N=C/c3ccc(cc3Cl)Cl)n1,0.0
15571,CO-ADD:0231896,10.57,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3)c4ccccc4I,0.0
15572,CO-ADD:0228664,10.57,n1c(c2ccccc2)csc1N.Br,0.0
15573,CO-ADD:0228649,10.56,N1(\N=C\c2ccco2)C(=S)SC(C)(C)C1N(O)C(NCCCC)=O,0.0
15574,CO-ADD:0230678,10.56,C(N(C)C)(=S)Oc(cc1)ccc1C(=O)Nc(cc2)ccc2Br,0.0
15575,CO-ADD:0228243,10.56,c(C#N)(c(\C(\C#N)=C\c(ccc1c(ccc(c2Cl)OC)c2)o1)nn3c4ccccc4)c3N,0.0
15576,CO-ADD:0223179,10.56,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2ccccc2C#N)=O)c3ccco3,0.0
15577,CO-ADD:0223352,10.56,c(\C=N\NC(CSc1ccccn1)=O)(cc(Br)cc2Br)c2O,0.0
15578,CO-ADD:0232323,10.56,C(=O)(C(NCCCCCCCCCCCC)=O)NC(C)c1ccccc1,0.0
15579,CO-ADD:0230832,10.56,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C(/C)\c3ccc(cc3)OCC,0.0
15580,CO-ADD:0223461,10.56,C(=O)(N\N=C\c1ccccn1)OC(C)(C)C,0.0
15581,CO-ADD:0223517,10.56,C(=C\N1CCCCC1)(/C(C)=NN2c3ccc(c(C)c3)C)\C2=O,0.0
15582,CO-ADD:0228342,10.56,[N+](=O)([O-])c1ccc(cc1)Oc(cccc2C(=O)NC(C)(C)C)c2,0.0
15583,CO-ADD:0230427,10.56,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)c(ccc(c23)OCCO2)c3,0.0
15584,CO-ADD:0232170,10.56,c1(oc(c2n1)ccc(c2)\N=C\c3ccc(cc3O)O)c4ccc(cc4Cl)F,0.0
15585,CO-ADD:0231914,10.56,C(CNc1ccccc1C)(=O)N\N=C\c(cc2)ccc2N(CCC)CCC,0.0
15586,CO-ADD:0235658,10.56,C(/S(CCCC)(=O)=O)(\S(CCCC)(=O)=O)=C(\Nc(cc1)ccc1CC)/Nc(cc2)ccc2CC,0.0
15587,CO-ADD:0222910,10.56,N#CCC(=O)\N=C\c1ccc(c2c1cccc2)O,0.0
15588,CO-ADD:0235291,10.56,c1(C(F)(F)F)nc(sc1c2ccc(cc2)F)Nc3ccccc3C,0.0
15589,CO-ADD:0235301,10.56,N1C(=O)\C(\SC1=S)=C\c(ccc2c3c(Cl)ccc(c3)[N+](=O)[O-])o2,0.0
15590,CO-ADD:0232803,10.56,c1(cc(Br)cc(Br)c1O)C(=O)CSC(=S)N(CC2)CCO2,0.0
15591,CO-ADD:0232127,10.56,C(=O)(NCC(=O)N\N=C\c(cc1)ccc1N(CCC)CCC)c2ccco2,0.0
15592,CO-ADD:0232095,10.56,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccccc2C)=O)c3ccccc3Cl,0.0
15593,CO-ADD:0232252,10.56,c1(c(O)cc(c(Cl)c1C)C)\C=N\c2c(OC)ccc(OC)c2,0.0
15594,CO-ADD:0232248,10.56,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
15595,CO-ADD:0232615,10.56,s1c(N)nnc1c2ccc(cc2)Br,0.0
15596,CO-ADD:0235109,10.56,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)c(C)cc2[N+](=O)[O-],0.0
15597,CO-ADD:0228609,10.56,N1(c2cccc(OC)c2)C(=O)CC(N(CC3)CCN3C\C=C\c4ccccc4)C1=O,0.0
15598,CO-ADD:0228537,10.56,C12(c3c(NC1=O)cccc3)C4=C(CC(C)(C)CC4=O)OC(N)=C2C(OC)=O,0.0
15599,CO-ADD:0228744,10.56,C(=C/c1ccccc1)(/c2c3cc(nc2)\C=C\c4ccccc4)\c(cc(C)cc5)c35,0.0
15600,CO-ADD:0232342,10.56,C1(C(=O)Nc(cc2)ccc2C)=Cc(cccc3CC=C)c3OC1=O,0.0
15601,CO-ADD:0232332,10.55,c1([N-][N+](C)(C)C)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
15602,CO-ADD:0230198,10.55,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c2ccc(cc2)OCCCCCCCCCC,0.0
15603,CO-ADD:0229945,10.55,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C/c(ccc(c3Cl)Cl)c3,0.0
15604,CO-ADD:0223667,10.55,c1(ccc(\C=N\NC(COc(cc2)ccc2I)=O)s1)[N+](=O)[O-],0.0
15605,CO-ADD:0230478,10.55,C(F)(F)(C(F)(F)C(=O)NC(CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)[O-])C(F)(F)C(F)(F)F.[Na+],0.0
15606,CO-ADD:0231901,10.55,[N+](=O)([O-])c1cccc(c1)\C=C\C(=O)c(cc2)ccc2C(C)(C)C,0.0
15607,CO-ADD:0230203,10.55,C(=O)(N\N=C\c(cc1)ccc1OCCCCC)c2ccc(cc2)OCCCCCCCCCC,0.0
15608,CO-ADD:0235650,10.55,N1(CCCC(=O)Nc(cc2)ccc2C)C(=O)c(c3C1=O)cccc3,0.0
15609,CO-ADD:0230752,10.55,C(COc1ccc(cc1Br)C)(=O)N\N=C(/C)\CC(=O)NCc(cc2)ccc2N(CC)CC,0.0
15610,CO-ADD:0230736,10.55,c1(I)ccc(\C=N\NC(COc2ccc(cc2Br)Cl)=O)o1,0.0
15611,CO-ADD:0230771,10.55,c1(ccc(cc1OCC=C)OCC=C)\C=N\c(cc2)ccc2Br,0.0
15612,CO-ADD:0235781,10.55,c1(ccccc1N)C(=O)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
15613,CO-ADD:0223246,10.55,c1(OCC(=O)N\N=C\c(cc2OC)cc(c2O)I)c(Br)cc(cc1Br)Br,0.0
15614,CO-ADD:0232112,10.55,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(cc2)ccc2C)=O)c3cccc(F)c3,0.0
15615,CO-ADD:0232280,10.55,C(=O)(\C=C\c1ccccc1)N(CC2)CCO2,0.0
15616,CO-ADD:0235783,10.55,C(=O)(N\N=C(\CC1)/CCN1C)C(=O)NCC(C)C,0.0
15617,CO-ADD:0235369,10.55,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
15618,CO-ADD:0222958,10.55,C1(C(=O)C[n+](cccc2C(N)=O)c2)=Cc3c(OC1=O)cccc3.[Br-],0.0
15619,CO-ADD:0235117,10.55,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
15620,CO-ADD:0230570,10.55,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)Nc2cccc(C)c2C,0.0
15621,CO-ADD:0232447,10.54,c1(c(O)c(\C=N\c(ccc(c23)oc(c4cccc(F)c4)n2)c3)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
15622,CO-ADD:0228552,10.54,c1(nnc(CC(OCC)=O)s1)NC(=O)c2cccc(C)c2,0.0
15623,CO-ADD:0228865,10.54,S(=O)(=O)(c1ccc(cc1)C)NC(C)C(NCCCCCC)=O,0.0
15624,CO-ADD:0228508,10.54,C1(C#N)=C(N)Oc2c(c(O)ccc2\C=N/c3cccc(OC)c3)[C@H]1c4ccccc4[N+](=O)[O-],0.0
15625,CO-ADD:0223092,10.54,C(=O)(C(NCCC(C)C)=O)Nc1ccc(cc1C)C,0.0
15626,CO-ADD:0228025,10.54,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O,0.0
15627,CO-ADD:0230509,10.54,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(ccc(c2OCC)OCc3cccc(cccc4)c34)c2,0.0
15628,CO-ADD:0228272,10.54,[N+](=O)([O-])c1ccc(cc1)NC(=O)CC2CC(OC2=O)CCCCCC,0.0
15629,CO-ADD:0228065,10.54,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc2cccc(C)c2)=O)c3ccccc3Cl,0.0
15630,CO-ADD:0230008,10.54,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)NC(C)(C)C,0.0
15631,CO-ADD:0231878,10.54,c1(c2cccc(F)c2)oc3c(ccc(c3)\N=C\c(cccc4[N+](=O)[O-])c4O)n1,0.0
15632,CO-ADD:0231949,10.54,C(=O)(Oc(cc1)ccc1\C=N\NC(c(cc2)ccn2)=O)c3cccc(Br)c3,0.0
15633,CO-ADD:0231933,10.54,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(=O)c(cccn3)c3,0.0
15634,CO-ADD:0235261,10.54,c1(\C=N\NC(=O)CC2(C)OCCO2)c3c(cccc3)cc(cccc4)c14,0.0
15635,CO-ADD:0235403,10.54,c12n(c(nn1)SC)ncn2\N=C\c(cc(OCO3)c3c4)c4Br,0.0
15636,CO-ADD:0222908,10.54,C(=O)(c1ccccc1C)Nc2ccc(cc2C)Br,0.0
15637,CO-ADD:0235664,10.54,C(CSCC(=O)Nc1ccccc1)(=O)N(CC)CC,0.0
15638,CO-ADD:0235474,10.54,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3ccccc3O)c4nonc4N,0.0
15639,CO-ADD:0235452,10.54,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c(cc3)ccc3[N+](=O)[O-])c4nonc4N,0.0
15640,CO-ADD:0232354,10.54,c1(NC(C)=O)sc(c(C)c1C#N)C,0.0
15641,CO-ADD:0232495,10.54,c1(c(Br)cc(cc1\C=N\NC(=O)c(ccc(c23)OCCO2)c3)Br)OC(=O)c(cc4OC)cc(c4OC)OC,0.0
15642,CO-ADD:0232486,10.54,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N\NC(COc3ccccc3C#N)=O)Br,0.0
15643,CO-ADD:0235691,10.54,n1c2c(CCC2)cc(C#N)c1SCc3ccccc3F,0.0
15644,CO-ADD:0230631,10.54,n1(CC)c2c(c(cc(cc3)\C=N\c4ccc(cc4O)C)c13)cccc2,0.0
15645,CO-ADD:0228530,10.54,C12(c3c(NC1=O)cccc3)C(C(C)=O)=C(C)OC(N)=C2C(OCCOC)=O,0.0
15646,CO-ADD:0228576,10.54,N1(\N=C\C=C\c(ccc2[N+](=O)[O-])o2)C(=S)SC(C)(C)C1N(O)C(NCCCC)=O,0.0
15647,CO-ADD:0228871,10.54,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)C(Cl)(F)F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1sccn1,0.0
15648,CO-ADD:0228525,10.53,c1(C#N)c(cc(nc1SCC(=O)Nc2cccc(C)n2)C)C(F)(F)F,0.0
15649,CO-ADD:0228492,10.53,N1(CCOCc2ccccc2)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
15650,CO-ADD:0229982,10.53,c1(SC2CCCC=C2)nc(C)c(cc1C#N)C(C)=O,0.0
15651,CO-ADD:0230237,10.53,[N+](=O)([O-])c(ccc(c1C(=O)N\N=C\c(ccc(c2O)O)c2)O)c1,0.0
15652,CO-ADD:0223361,10.53,N1(c(cc2)ccc2S(=O)(=O)N(CC)CC)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
15653,CO-ADD:0230508,10.53,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4C,0.0
15654,CO-ADD:0223755,10.53,c1(\C=N\NC(COc(cc2)ccc2Br)=O)c(cccc1Cl)Cl,0.0
15655,CO-ADD:0231861,10.53,c1(oc(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c(cccc4OC(=O)c(cc(cc5[N+](=O)[O-])[N+](=O)[O-])c5)c4,0.0
15656,CO-ADD:0231935,10.53,C(CNc1ccccc1C)(=O)N\N=C\c2cccs2,0.0
15657,CO-ADD:0231911,10.53,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(ccc(n2)C)c2)c3cccc(Br)c3,0.0
15658,CO-ADD:0235941,10.53,N(/C(CC#C)c1ccccc1)=C(/c2ccccc2)\c3ccccc3,0.0
15659,CO-ADD:0223244,10.53,c1(OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccco3)I)c(Br)cc(cc1Br)Br,0.0
15660,CO-ADD:0232601,10.53,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2(C)C)=O)C3c4ccc(c(Br)c4)OC,0.0
15661,CO-ADD:0223417,10.53,c1(\C=N\NC(=O)c(cc2Br)cc(c2C)Br)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
15662,CO-ADD:0235396,10.53,N1(Cc(cc2)ccc2F)C(=O)C3C(C(c4ccccc4)C=CC3c5ccccc5)C1=O,0.0
15663,CO-ADD:0232784,10.53,N1(c(cc2)ccc2C(O)=O)C(=O)CC(N3CCCC3)C1=O,0.0
15664,CO-ADD:0232337,10.53,S(=O)(=O)(Nc(cc1)ccn1)c2ccc(c3c2)cccc3,0.0
15665,CO-ADD:0232308,10.53,N1(C(CC)=O)c2c(C(=O)C1=O)cccc2,0.0
15666,CO-ADD:0223030,10.53,C12(\C=N\c(cc3)ccc3O)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)C)=O)c(cccc7)c27,0.0
15667,CO-ADD:0230246,10.53,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)c(ccc(c2Br)OC)c2,0.0
15668,CO-ADD:0228838,10.53,c1(cc(OC)ccc1NC(=O)C\C(\C)=N\NC(COc(cc2)ccc2OC)=O)[N+](=O)[O-],0.0
15669,CO-ADD:0230232,10.53,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c(cc3)ccc3N(CC)CC)c2,0.0
15670,CO-ADD:0230430,10.53,C(=O)(C(c1ccccc1)c2ccccc2)NCc3ccccc3,0.0
15671,CO-ADD:0223053,10.53,N1(c2ccc(cc2)C)C(=O)C(C(C1=O)C34\C=N\NC(=O)C(=O)Nc5cc(C)ccc5C)C(c(c36)cccc6)c(c47)cccc7,0.0
15672,CO-ADD:0229991,10.53,N1(Nc2ccccc2C)C(=O)c3c(c(c4)C1=O)c(ccc3)c(c4[N+](=O)[O-])Br,0.0
15673,CO-ADD:0228117,10.53,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(ccc(c34)cccc3)c4,0.0
15674,CO-ADD:0235868,10.53,N1(c(cc2)ccc2C(OCCCCCCC)=O)C(=O)c3c(cc(cc3)Br)C1=O,0.0
15675,CO-ADD:0228041,10.53,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
15676,CO-ADD:0230117,10.52,C(COc(cc1)ccc1OCCCCCCCC)(=O)N\N=C\c2cccc(cccc3)c23,0.0
15677,CO-ADD:0230213,10.52,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2ccccc2NC(=O)c3ccc(cc3)OC)O)c1,0.0
15678,CO-ADD:0230214,10.52,C(=O)(c1ccc(cc1)OCCCCCCCCCC)N\N=C(/C)\CCCCC,0.0
15679,CO-ADD:0231920,10.52,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C(/C)\c2ccc(c(OC)c2)OC,0.0
15680,CO-ADD:0231905,10.52,c1(OCC(=O)N\N=C(/C)\CC(=O)Nc2ccccc2OC)c(OC)cc(cc1Br)Br,0.0
15681,CO-ADD:0235655,10.52,C(O)(c1ccccc1)(c2ccccc2)C3CCCN3CCCC,0.0
15682,CO-ADD:0232552,10.52,N1(c2ccc(cc2Cl)Cl)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Cl,0.0
15683,CO-ADD:0230695,10.52,C(CSCc1cccc(Cl)c1)(=O)N\N=C\c(ccc(c2OCC)OCC=C)c2,0.0
15684,CO-ADD:0232594,10.52,C(/C#N)(\C(OCC)=O)=C/c(ccc(c12)OCO1)c2,0.0
15685,CO-ADD:0222877,10.52,c1(c(cccc1[N+](=O)[O-])C(OCC)=O)C(=O)Nc2c(O)ccc(Cl)c2,0.0
15686,CO-ADD:0235025,10.52,C(=C\c1ccccc1)/C(=O)c2ccc(cc2)\N=C\c(cc3)ccc3OC(=O)\C=C\c4ccccc4,0.0
15687,CO-ADD:0232141,10.52,c1(Br)ccc(\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)o1,0.0
15688,CO-ADD:0222864,10.52,C(=O)(c1ccc(cc1)Cl)Nc2ccc(cn2)Br,0.0
15689,CO-ADD:0235269,10.52,C(NCCOc1ccccc1OC)(=O)\C=C\c2ccccc2,0.0
15690,CO-ADD:0235548,10.52,N1(CC(OCC(=O)Oc(cc2)ccc2C(OC)=O)=O)C(=O)c3c(cccc3)C1=O,0.0
15691,CO-ADD:0230546,10.52,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3O,0.0
15692,CO-ADD:0230144,10.52,[N+](=O)([O-])c1ccc(cc1)NC(CCC(=O)OC(CC2)CCC2C(C)(C)C)=O,0.0
15693,CO-ADD:0230274,10.52,c1(c(N(C)CCCCCCCCCCCCCCCCCC)ccc(c1)S(O)(=O)=O)[N+](=O)[O-],0.0
15694,CO-ADD:0223560,10.52,c1(C(OCC)=O)c(cc(OC)cc2)c2n(C)c1C,0.0
15695,CO-ADD:0228440,10.52,c1(c2c([nH]c1)cccc2)C(c3ccccc3)C(C(OCC)=O)C(OCC)=O,0.0
15696,CO-ADD:0228144,10.52,c1(NCC(=O)N\N=C(/C)\CCc2ccco2)c(Br)cc(cc1Br)Br,0.0
15697,CO-ADD:0228137,10.52,N(=C(/C)\c1ccc(cc1)Br)/NC(CNc2ccccc2OC)=O,0.0
15698,CO-ADD:0228038,10.51,c1(c2cccc(c2)\N=C\c(cc(C)c(c3Br)C)c3O)oc(c4n1)cccc4,0.0
15699,CO-ADD:0230052,10.51,N1(c2ccc(c3c2)cccc3)C(=O)c4c(cc(cc4)N)C1=O,0.0
15700,CO-ADD:0230168,10.51,C(CCCC(=O)OCC(c1ccccc1)=O)(=O)Nc(cc2)ccc2C,0.0
15701,CO-ADD:0228701,10.51,N1(c2cccc(OC)c2)C(=O)C(CC1=O)S\C(\N)=N\c3ccccc3,0.0
15702,CO-ADD:0231906,10.51,C(=O)(c1ccc(cc1)Br)Oc2cc(ccc2OC(=O)c3ccc(cc3)Br)\C=N\NC(=O)c4ccc(cc4)Br,0.0
15703,CO-ADD:0232553,10.51,N1(c2ccc(cc2Cl)Cl)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Br,0.0
15704,CO-ADD:0230704,10.51,C(=O)(c1cccc(Br)c1)Nc(cc2)ccc2CCCC,0.0
15705,CO-ADD:0230683,10.51,c1(ccc(\C=N\NC(COc2ccccc2[N+](=O)[O-])=O)s1)[N+](=O)[O-],0.0
15706,CO-ADD:0235459,10.51,c1(SCC(=O)c2ccc(cc2)Br)ncnn1CC(=O)c3ccc(cc3)Br,0.0
15707,CO-ADD:0223365,10.51,n(\N=C\c(cc1)ccc1Br)(c2)cnn2,0.0
15708,CO-ADD:0235543,10.51,c1(NC(CSCC(=O)OCC(c2ccccc2)=O)=O)sc3c(ccc(C)c3)n1,0.0
15709,CO-ADD:0235354,10.51,s1c(c2ccc(cc2)C)nnc1NC(=O)c3ccccc3I,0.0
15710,CO-ADD:0232425,10.51,c1(c(C)cc(cc1C)C)NC(CSCC(=O)Nc(ccc(c23)cccc2)c3)=O,0.0
15711,CO-ADD:0235174,10.51,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(ccc(c2C)C)c2)=O)c3ccccc3Br,0.0
15712,CO-ADD:0232417,10.51,C(=O)(NC1CCCCCCC1)c2cccs2,0.0
15713,CO-ADD:0232386,10.51,P(c1ccccc1)(c2ccccc2)(c3ccccc3)=Nc4ccc(cc4C)Cl,0.0
15714,CO-ADD:0228781,10.51,c1(c2ccccc2)cc(ccc1C#N)C#N,0.0
15715,CO-ADD:0223649,10.51,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C\c2ccc(Br)s2,0.0
15716,CO-ADD:0230332,10.51,C(CSCC(=O)N\N=C\c1ccccc1O)(=O)N\N=C\c2ccccc2O,0.0
15717,CO-ADD:0223139,10.51,c1(OCC(=O)N\N=C\c(cc(Br)cc2I)c2O)c(Br)cc(cc1Br)Br,0.0
15718,CO-ADD:0231991,10.51,n1c2c(oc1c3ccc(cc3)\N=C\c4cc(Br)ccc4O)cccc2C,0.0
15719,CO-ADD:0223698,10.5,C(=O)(N\N=C\c1ccccc1Cl)C(C)Oc(cc2)ccc2c3ccccc3,0.0
15720,CO-ADD:0228288,10.5,c1(Nc2ccccc2)sc(c(c3ccc(c(Cl)c3)Cl)n1)CCC,0.0
15721,CO-ADD:0230013,10.5,C1(C(=O)NN=C2Cc3cccc(I)c3)=C2C=C(C)NC1=O,0.0
15722,CO-ADD:0223636,10.5,c1(ccccc1NC(c2ccccc2)=O)C(OC)=O,0.0
15723,CO-ADD:0230147,10.5,c1(ccccc1C(O)=O)C(=O)NCC(=O)Nc2ccccc2,0.0
15724,CO-ADD:0228306,10.5,S(NCCNc(cc1)c(Cl)cc1[N+](=O)[O-])(=O)(=O)c2ccc(cc2)Cl,0.0
15725,CO-ADD:0235697,10.5,c1(nnc(CC)s1)NC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
15726,CO-ADD:0235468,10.5,c1(SCC(=O)Nc2cccc(cccc3)c23)oc(c4n1)cccc4,0.0
15727,CO-ADD:0235454,10.5,S(=O)(=O)([O-])N(C)CC(O)COc(c1)cc(cc1Cl)Cl.[K+],0.0
15728,CO-ADD:0232443,10.5,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(=O)c(c3)cc(cn3)Br,0.0
15729,CO-ADD:0235425,10.5,C(C(OC)=O)(C1c2cccs2)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
15730,CO-ADD:0232686,10.5,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)S\C(\NCC)=N/CC,0.0
15731,CO-ADD:0235766,10.5,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3C\C=C\c4ccccc4)C1=O,0.0
15732,CO-ADD:0232592,10.5,C1(C(OCC)=O)=C(C)NC(NC1c2ccccc2OCC)=O,0.0
15733,CO-ADD:0235545,10.5,c1(NC(CSCC(=O)OCC(c2ccccc2)=O)=O)sc(c(ccc3C(OC)=O)n1)c3,0.0
15734,CO-ADD:0235525,10.5,N1(NC(=O)Cc2cccc(cccc3)c23)C(=O)C4C(C(CC45)C=C5)C1=O,0.0
15735,CO-ADD:0235076,10.5,C(=O)(Oc1cccc(c1)\C=N\NC(CNc2cccc(C)c2)=O)c3cccc(F)c3,0.0
15736,CO-ADD:0232785,10.5,n1(c(C)c(nn1)\C(\C)=N\N=C(/C2)\c3c(C2)cccc3)c4nonc4N,0.0
15737,CO-ADD:0230383,10.5,c1(sccn1)NC(COc2ccccc2)=O,0.0
15738,CO-ADD:0223173,10.5,c1(c2c(cccc2)ccc1OC(C)=O)\C=N\c3ccc(cc3C)Br,0.0
15739,CO-ADD:0228308,10.5,N12c(c(C3C(CCC3)C1)c4)c(C5C(CCC5)C2)cc4NC(c6ccccc6)=O,0.0
15740,CO-ADD:0230308,10.5,C(C(OCC)=O)(=C(C)NC(=C1C(OCC)=O)C)C1c2ccco2,0.0
15741,CO-ADD:0223720,10.5,N(/N(C)c1ccccc1)=C\c2ccccc2Sc3ccccc3,0.0
15742,CO-ADD:0223561,10.5,N(C(c1ccccc1)C2C)C(c3ccccc3)C(C2=O)C,0.0
15743,CO-ADD:0223573,10.49,c1(SCC(=O)N\N=C\C=C\c2ccccc2)oc(c3n1)cccc3,0.0
15744,CO-ADD:0223120,10.49,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(COc3ccccc3C#N)=O)o1,0.0
15745,CO-ADD:0223609,10.49,C(=O)(Nc(cc1)ccc1C)Nc2c(C)ccc(c2)NC(=O)Nc(cc3)ccc3C,0.0
15746,CO-ADD:0230602,10.49,C(CC(C1)CC1)(=O)Nc(cc2)ccc2I,0.0
15747,CO-ADD:0230113,10.49,c1(Br)c(ccc(cccc2)c12)OCC(=O)N\N=C\c3cccc(Br)c3,0.0
15748,CO-ADD:0230654,10.49,C1(\C(\C)=N/Nc2ccccc2)=C(C)NC(=O)NC1c3ccccc3,0.0
15749,CO-ADD:0235122,10.49,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
15750,CO-ADD:0235479,10.49,c12c(nnc(SCC(N3)=C(C(CCCCC(OCC)=O)=O)NC3=O)n1)c4c(cccc4)n2C,0.0
15751,CO-ADD:0232674,10.49,[N+](=O)([O-])c(cc1)ccc1n2cccc2\C=N\CCO,0.0
15752,CO-ADD:0232693,10.49,N1(c2cccc(C)c2)C(=O)C(CC1=O)S\C(\N)=N\c3ccccc3,0.0
15753,CO-ADD:0232648,10.49,C(C(C)=O)(=CN(Cc1ccccc1)C=C2C(C)=O)C2c3ccccc3,0.0
15754,CO-ADD:0235055,10.49,n1c2c(oc1c3ccc(cc3)NC(=O)c4ccc(cc4Cl)Cl)cccc2,0.0
15755,CO-ADD:0232272,10.49,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(ccc(c2Cl)OC)c2,0.0
15756,CO-ADD:0235685,10.49,N1(c2ccc(cc2)Sc(cc3)ccc3Oc(cc4)ccc4Sc(cc5)ccc5N6C(=O)C(C7C6=O)C(CC78)C=C8)C(=O)C9C(C%10CC9C=C%10)C1=O,0.0
15757,CO-ADD:0235911,10.49,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(=O)Nc(cc3)ccc3C,0.0
15758,CO-ADD:0230766,10.49,c1(ccc(cc1OCC=C)OCC=C)\C=N\c(cc2)ccc2C,0.0
15759,CO-ADD:0235043,10.49,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2Nc3ccccc3,0.0
15760,CO-ADD:0217557,10.49,c1(c(O)c(\C=N\c(cc2)ccc2c3oc4c(ccc(C)c4)n3)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
15761,CO-ADD:0217102,10.49,S(=O)(=O)(c1ccc(cc1)C)N\N=C\c(cc2)ccc2OCc3ccccc3Cl,0.0
15762,CO-ADD:0243905,10.49,C(C(NC=C1C(OCC)=O)=O)(C(c2cc3c(OCO3)c(OC)c2)CC(NCCc(cc4)ccc4OC)=O)=C1O,0.0
15763,CO-ADD:0243649,10.49,c(OC)(cc1c2nc(Cc(ccc(OC)c3)c3)no2)c(OCO4)c4c1,0.0
15764,CO-ADD:0243097,10.49,c(\C=N\NC(c(cccc1)c1[N+](=O)[O-])=O)(c2OC)c(CCC)c(OC)c(OCO3)c23,0.0
15765,CO-ADD:0164675,10.49,CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1,0.0
15766,CO-ADD:0166190,10.49,c1(\C=N\NC(=O)Cc2cccc(cccc3)c23)c(O)ccc(cccc4)c14,0.0
15767,CO-ADD:0218022,10.49,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(COc(cc3)ccc3Cl)=O)o2,0.0
15768,CO-ADD:0217871,10.49,C(C(=S)Nc1ccccc1)(=CN(C=CC(=C2)C)C2=N3)C3=O,0.0
15769,CO-ADD:0215632,10.49,C(=O)(C\C(\C)=N\NC(=O)c1cccc(Br)c1)Nc2cc(C)ccc2OC,0.0
15770,CO-ADD:0215465,10.49,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c(cc3)ccc3Br,0.0
15771,CO-ADD:0214921,10.49,C(=O)(N\N=C\c1ccccc1)c2ccc(cc2)NC(CC)=O,0.0
15772,CO-ADD:0215165,10.49,N1(c2ccc(cc2)Cl)C(c3ccc(cc3)Br)CC(c4ccc(cc4)OC)=N1,0.0
15773,CO-ADD:0217387,10.49,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(=O)c(ccc(n3)C)c3,0.0
15774,CO-ADD:0217486,10.49,N(\C(=C/c(cc1)cc(c1OC(C)=O)OCC)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
15775,CO-ADD:0217006,10.48,C(CSCc1ccccc1C)(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
15776,CO-ADD:0158012,10.48,[O-][N+](C1=CC=C(/C=N/C2=CC=C(C=C2)/N=C/C3=CC=C([N+]([O-])=O)S3)S1)=O,0.0
15777,CO-ADD:0243025,10.48,C(C(=O)OC)(CC(O1)Cc(ccc(c23)OCO2)c3OC)=N1,0.0
15778,CO-ADD:0164382,10.48,N1c2ccccc2Sc2ccccc12,0.0
15779,CO-ADD:0164879,10.48,Cc1ncc(n1CC(O)CCl)[N+]([O-])=O,0.0
15780,CO-ADD:0164376,10.48,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O.O.O.O,0.0
15781,CO-ADD:0217903,10.48,C1(=O)NC(C(C)N1)CCCCCC(=O)OCC(c2ccccc2)=O,0.0
15782,CO-ADD:0218231,10.48,C(=N\c1cccc(C)c1)(/c2c(N3)ccc(Br)c2)\C3=O,0.0
15783,CO-ADD:0217975,10.48,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)N(CC2)CCS2,0.0
15784,CO-ADD:0214953,10.48,c1(C(F)(F)F)nc(sc1c2ccccn2)N\N=C\c3cccc(OC)c3,0.0
15785,CO-ADD:0215474,10.48,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c2cccc(Cl)c2,0.0
15786,CO-ADD:0215378,10.48,c(C#N)(c1c2ccc(cc2)F)c(SCC(=O)CC(OCC)=O)nc(N)c1C#N,0.0
15787,CO-ADD:0215278,10.48,N1(c2ccc(cc2)Br)C(=O)C(C3C1=O)C(c4ccccc4)C=CC3c5ccccc5,0.0
15788,CO-ADD:0158015,10.48,OC(COC(C=C1)=CC=C1C)CNC(C)C,0.0
15789,CO-ADD:0158207,10.48,O=C(C1=CC=CC=C1)CC(C(C=C2)=CC=C2Br)NC(C=C3)=CC=C3CCCC,0.0
15790,CO-ADD:0158154,10.48,O=C(S/1)N(CNC2=C(C)C(Cl)=CC=C2)C(C1=C([H])\C(C(OC)=C3)=CC=C3OC)=O,0.0
15791,CO-ADD:0158157,10.48,O=S(N/N=C/C(C=CC=C1)=C1OCCCC)(C2=CC=CC=C2)=O,0.0
15792,CO-ADD:0158237,10.48,O=C(C1=CC=CC=C1)OC(C=C2)=CC=C2/C=N/NC(CCSC(C=C3)=CC=C3Cl)=O,0.0
15793,CO-ADD:0216870,10.48,C([C@@H]1NS(=O)(=O)c2ccc(CC)cc2)[C@H](OCC1)c3cc(ccc3)Br,0.0
15794,CO-ADD:0217422,10.48,C(=O)(NCc1ccccc1Cl)c2ccco2,0.0
15795,CO-ADD:0217619,10.48,C(COc1ccccc1Br)(=O)N\N=C\c2ccccc2OCCC,0.0
15796,CO-ADD:0243022,10.48,c(OC)(c(OC)c1CC2ON=C(C(O)=O)C2)c(OC3)c(O3)c1,0.0
15797,CO-ADD:0243596,10.48,c(non1)(c1n2)ncc2c(cc3OC)c(OC)c4c3OCO4,0.0
15798,CO-ADD:0216853,10.48,n1(cnc(c1)n(cc2[Si](C)(C)C)nn2)C(C)(C)C,0.0
15799,CO-ADD:0164822,10.48,CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12.Cl,0.0
15801,CO-ADD:0164670,10.48,CC(=O)NCCCCCCNC(C)=O,0.0
15802,CO-ADD:0225688,10.48,C1(=N2)N(C=CN=C1Oc3cccc(C)c3C)C(N2CC(=O)NCc(cc4)ccc4OC)=O,0.0
15803,CO-ADD:0166713,10.48,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c(cc2)ccc2C(C)C,0.0
15804,CO-ADD:0166355,10.47,C(=O)(N\N=C\c1c(O)ccc(cccc2)c12)C(=O)NCC3CCCO3,0.0
15805,CO-ADD:0165920,10.47,C(=O)(N\N=C\c1ccccc1OCCCCCCC)c2ccc(cc2)Cl,0.0
15806,CO-ADD:0166389,10.47,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CSCc2ccccc2Cl)=O,0.0
15807,CO-ADD:0215734,10.47,s1c(c2ccccc2)nnc1NC(=O)c3ccc(cc3Cl)Cl,0.0
15808,CO-ADD:0215711,10.47,C(=O)(c1ccc(cc1)C)Nc(cc2)ccn2,0.0
15809,CO-ADD:0157986,10.47,O=C(COC1=CC(C)=CC=C1)N/N=C/C2=CNC3=C2C=C(Br)C=C3,0.0
15810,CO-ADD:0158309,10.47,O=C(OC)C(C=C1)=CC=C1NC(CCN2CCOCC2)=O,0.0
15811,CO-ADD:0158182,10.47,N#CC1=C(SC(N)=C(C#N)C1C2=CC=C(C3=CC=CC=C3)C=C2)N,0.0
15812,CO-ADD:0217642,10.47,o1c(C)ccc1\C=N\NC(COc(ccc(c2C)C)c2)=O,0.0
15813,CO-ADD:0217459,10.47,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(c(cc2)ccn2)=O)c3ccco3,0.0
15814,CO-ADD:0217604,10.47,C(=O)(N\N=C\c1cccc(Cl)c1Cl)c2ccc(cc2)OCC=C,0.0
15815,CO-ADD:0216884,10.47,C(=O)(N\N=C\c(cc1)ccc1OCC(=O)c(cc2)ccc2c3ccccc3)c4ccc(cc4)OC,0.0
15817,CO-ADD:0166485,10.47,N1(CNc2cccc(C)c2C)C(=O)\C(\SC1=S)=C/c(ccc(c3Cl)Cl)c3,0.0
15818,CO-ADD:0166772,10.47,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)N(CC)CC,0.0
15819,CO-ADD:0226459,10.47,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCc4c(cccc4Cl)F,0.0
15820,CO-ADD:0226491,10.47,c1(nnc2SC(C)C(=O)Nc3cc(OC)cc(OC)c3)n2C=CN(c4cccc(OC)c4)C1=O,0.0
15821,CO-ADD:0166074,10.47,c1(c(C)cccc1C)OCC(=O)N\N=C\c(ccc(c2Cl)OC)c2,0.0
15822,CO-ADD:0166444,10.47,N1(CNc(cc2)ccc2Br)C(=O)\C(\SC1=O)=C\c(cc3)ccc3C(OC)=O,0.0
15823,CO-ADD:0165978,10.46,C(=O)(N\N=C\c1ccccc1O)c2ccc(cc2)COc(cc3)ccc3C,0.0
15824,CO-ADD:0215484,10.46,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c2ccccc2,0.0
15825,CO-ADD:0215564,10.46,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(=O)C(=O)NC3CCCCC3,0.0
15826,CO-ADD:0166624,10.46,N(=C\c(cc1)ccn1)/NC(CCCCCCCCCCCC)=O,0.0
15827,CO-ADD:0166210,10.46,c1(c(C)cccc1C)OCC(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
15828,CO-ADD:0165869,10.46,C(=O)(c1cccc(c1)OC(=S)Nc(cc2)ccc2OC)Nc3ccccc3Cl,0.0
15829,CO-ADD:0166041,10.46,C(=O)(N\N=C\c(cc1)ccc1C#N)c2ccc(cc2)Br,0.0
15830,CO-ADD:0166114,10.46,c(\C=N\NC(CNC(=O)c1ccc(cc1)Cl)=O)(cc(I)cc2I)c2O,0.0
15831,CO-ADD:0166620,10.46,[N+](=O)([O-])c1ccc(cc1)OCC(=O)N\N=C\c(cc(OC)c(c2)OC)c2OC,0.0
15832,CO-ADD:0215335,10.46,C(C(OCCOC)=O)(C1c2ccc(cc2)F)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
15833,CO-ADD:0158247,10.46,O=C(S/1)N(CNC2=CC=CC(F)=C2)C(C1=C\C3=CC(OC)=C(O)C=C3)=O,0.0
15834,CO-ADD:0158255,10.46,O=C(N/N=C/C(C=CC=C1)=C1OCCCC)C2=CC(F)=CC=C2,0.0
15835,CO-ADD:0158253,10.46,[O-][N+](C(C=C1)=CC=C1C2=CC=C(/C=N/C3=CC(OC4=C5C=CC=C4)=C5C=C3)O2)=O,0.0
15836,CO-ADD:0217228,10.46,C(F)(F)(C(F)(F)COc1ccccc1NC(=O)c2ccc(cc2Cl)Cl)C(F)(F)C(F)F,0.0
15837,CO-ADD:0164672,10.46,CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1.[Na+],0.0
15838,CO-ADD:0164937,10.46,Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl.Cl,0.0
15839,CO-ADD:0226637,10.46,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)NCc(cc4)ccc4C,0.0
15840,CO-ADD:0166373,10.46,N(=C(/C)\c1cccc(c1)NC(C)=O)/NC(CSCc2ccccc2C)=O,0.0
15841,CO-ADD:0165971,10.46,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c2ccc(cc2)COc(cc3)ccc3C,0.0
15842,CO-ADD:0165993,10.45,C(=O)(Oc(cc1)ccc1\C=N\NC(c2ccccc2)=O)Cc3cccc(cccc4)c34,0.0
15843,CO-ADD:0166015,10.45,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(ccc(c2OC)OCCC)c2,0.0
15844,CO-ADD:0214956,10.45,N1(CCCC1C(=O)Nc2cccc(C)c2)C(=O)OCc3ccccc3,0.0
15845,CO-ADD:0215416,10.45,C(\C(\CC(C1)C)=C\c2ccccc2)(O3)=C1C(C(C#N)=C3N)c4ccccc4,0.0
15846,CO-ADD:0154580,10.45,ClC(OC1=C2C(C=CC=C3)=C3C=C1)=C(C2C4=CC=CC=C4)C#N,0.0
15847,CO-ADD:0154577,10.45,O=C(CN=[N+]=[N-])C1=CC=C(Br)C=C1,0.0
15848,CO-ADD:0217452,10.45,c1(c(Br)cc(cc1\C=N\NC(=O)c(cccn2)c2)Br)OC(=O)c3cccc(C)c3,0.0
15849,CO-ADD:0217460,10.45,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(COc3ccccc3C)=O)o1,0.0
15850,CO-ADD:0164585,10.45,CC1(C)S[C@@H]2[C@H](\N=C\N3CCCCCC3)C(=O)N2[C@H]1C(O)=O,0.0
15851,CO-ADD:0165064,10.45,Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,0.0
15852,CO-ADD:0164565,10.45,CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F.OC(=O)/C=C\C(=O)O.OC(=O)/C=C\C(=O)O,0.0
15853,CO-ADD:0164939,10.45,COc1ccc2[n-]c(nc2c1)S(=O)Cc1ncc(C)c(OC)c1C.COc1ccc2[n-]c(nc2c1)S(=O)Cc1ncc(C)c(OC)c1C.[Mg+2],0.0
15854,CO-ADD:0226433,10.45,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCC(=O)Nc(ccc(c4F)C)c4,0.0
15855,CO-ADD:0225305,10.45,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc4cccc(OC)c4)C2=O,0.0
15856,CO-ADD:0165923,10.45,C(=O)(Nc(cc1)ccc1OC)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
15857,CO-ADD:0166107,10.45,c1(O)c(I)cc(cc1I)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
15858,CO-ADD:0166460,10.45,c1(I)ccc(\C=N/NC(CSCc(cc2)ccc2Br)=O)o1,0.0
15859,CO-ADD:0166115,10.45,c1(O)c(Br)cc(cc1Br)\C=N\NC(CNC(=O)c2ccco2)=O,0.0
15860,CO-ADD:0215432,10.45,C(C(N)c1ccc(c(OC)c1)OC)C(O)=O,0.0
15861,CO-ADD:0215576,10.45,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(cccc3)c23)\C=N\NC(=O)c4ccc(cc4)OC,0.0
15862,CO-ADD:0214972,10.45,c1(\N=C\c(cc2)ccc2OC)sc3c(ccc(C)c3)n1,0.0
15863,CO-ADD:0215405,10.45,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)OC(c4ccccc4)=C2C(OCC)=O,0.0
15864,CO-ADD:0215413,10.45,C(\C(\CC1)=C\c2cccc(OC)c2)(O3)=C1C(C(C#N)=C3N)c4cccc(OC)c4,0.0
15865,CO-ADD:0154576,10.45,ClCCC1CCN(CC2=CC=CC=C2)CC1,0.0
15866,CO-ADD:0156609,10.45,NC(C(O)=O)CC1=C(C=CC=C1)F.OC(C(F)(F)F)=O,0.0
15867,CO-ADD:0164955,10.45,CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O,0.0
15868,CO-ADD:0164603,10.45,CNCCC=C1c2ccccc2CCc2ccccc12.Cl,0.0
15869,CO-ADD:0164671,10.45,CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c1ccccc1.Cl,0.0
15870,CO-ADD:0164712,10.45,CCS(=O)(=O)CCn1c(C)ncc1[N+]([O-])=O,0.0
15871,CO-ADD:0225313,10.44,N(C=Nc(c12)sc(CC(C)CC3)c13)(C4=O)C2=NN4CC(=O)Nc5c(OC)cc(c(Cl)c5)OC,0.0
15872,CO-ADD:0165944,10.44,C(=O)(C\C(\C)=N/NC(COc(cc(C)c(c1)Br)c1Br)=O)Nc2ccc(cc2C)Cl,0.0
15873,CO-ADD:0166001,10.44,C(c1ccccc1)(=O)N\N=C\c2ccccc2OCCCCC,0.0
15874,CO-ADD:0166138,10.44,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
15875,CO-ADD:0164691,10.44,Clc1cccc(Cl)c1NC1=NCCN1.Cl,0.0
15876,CO-ADD:0164699,10.44,CC(C)\N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1,0.0
15877,CO-ADD:0164886,10.44,CC[C@]1(O)C[C@H]2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@@H]7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](O)[C@]7(O)C(=O)N.OS(=O)(=O)O,0.0
15878,CO-ADD:0164518,10.44,CN(C)CCC=C1c2ccccc2CCc2ccccc12.Cl,0.0
15879,CO-ADD:0164904,10.44,CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3,0.0
15880,CO-ADD:0215371,10.44,C(C(=O)OC(C)C)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3ccccc3I,0.0
15881,CO-ADD:0165962,10.44,C(=O)(N\N=C\c1ccccc1Cl)c2ccc(cc2)COc(cc3)ccc3C,0.0
15882,CO-ADD:0166425,10.44,c1(\C=N\NC(CSCc2ccccc2Br)=O)c(cccc1Cl)Cl,0.0
15883,CO-ADD:0166435,10.44,C(=O)(N\N=C\c1c(O)ccc(cccc2)c12)C(=O)Nc3ccccc3OCC,0.0
15884,CO-ADD:0166662,10.44,C(C(=O)OC(C)C)(C1c2ccc(cc2)Cl)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
15885,CO-ADD:0215659,10.44,C(=O)(c1cccc(C)c1)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3C,0.0
15886,CO-ADD:0156618,10.44,OC(C(NC(C1=CC=C(C=C1)C)=O)CC2=C(C=C(C(F)=C2)F)F)=O,0.0
15887,CO-ADD:0164729,10.44,CC(C(O)c1ccc(O)cc1)N2CCC(Cc3ccccc3)CC2.O.OC(C(O)C(=O)O)C(=O)O,0.0
15888,CO-ADD:0164407,10.44,CC(=O)NS(=O)(=O)c1ccc(N)cc1,0.0
15889,CO-ADD:0164831,10.44,NCCc1ccc(O)c(O)c1.Cl,0.0
15890,CO-ADD:0164777,10.44,O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c1ccccc1)c1ccccc1,0.0
15891,CO-ADD:0164857,10.44,Fc1cn(C2CCCO2)c(=O)[nH]c1=O,0.0
15892,CO-ADD:0215563,10.44,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(cccc3)c23)\C=N\NC(=O)c4ccc(cc4)O,0.0
15893,CO-ADD:0215566,10.44,C(=O)(C\C(\C)=N\NC(COc(cc1)ccc1OC)=O)Nc2ccccc2c3ccccc3,0.0
15894,CO-ADD:0215574,10.44,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(=O)C(NCC=C)=O,0.0
15895,CO-ADD:0226421,10.44,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCc4ccccc4C,0.0
15896,CO-ADD:0225262,10.43,N12C(C=CC(SC(C)C)=N1)=NN(CC(=O)Nc(ccc(c3F)C)c3)C2=O,0.0
15897,CO-ADD:0166545,10.43,C(=O)(N\N=C\c(ccc(c1Cl)Cl)c1)C(NCCCC)=O,0.0
15898,CO-ADD:0166334,10.43,c1(N\N=C/c(cc2)ccn2)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
15899,CO-ADD:0166174,10.43,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccco2)\C=N\NC(c(cc3)ccn3)=O,0.0
15900,CO-ADD:0166298,10.43,C(=O)(N\N=C\c1cc(OC)ccc1OC)C(=O)Nc(cc2)ccc2CCCC,0.0
15901,CO-ADD:0166312,10.43,C(=O)(Nc(cc1)ccc1N(C)C)C(=O)NCc2ccco2,0.0
15902,CO-ADD:0166226,10.43,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(ccc(c2C)C)c2)=O)O)c1,0.0
15903,CO-ADD:0166413,10.43,C(CSCc1ccccc1Br)(=O)N\N=C\c(ccc(c2OCC)OCC=C)c2,0.0
15904,CO-ADD:0215656,10.43,S1(=O)(=O)c2c(C(Nc(cccc3C(C)=O)c3)=N1)ccc(c2)[N+](=O)[O-],0.0
15905,CO-ADD:0215280,10.43,N1(c2ccccc2C)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
15906,CO-ADD:0236928,10.43,O=C(C1=CC=C(OC)C=C1CC/2)C2=CC3=CC=CO3,0.0
15907,CO-ADD:0156627,10.43,OC([C@@H](NC(C1CCCCC1)=O)CC2=CC=CC=C2)=O,0.0
15908,CO-ADD:0164443,10.43,CC(C[N+](C)(C)C)OC(N)=O.[Cl-],0.0
15909,CO-ADD:0164505,10.43,CCCc1cc(O)nc(S)n1,0.0
15910,CO-ADD:0164447,10.43,NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F,0.0
15911,CO-ADD:0215590,10.43,C(=O)(c1ccc(cc1)OC)Oc2cc(ccc2\C=N\c(cc3)ccc3C)OC(=O)c4ccc(cc4)OC,0.0
15912,CO-ADD:0225278,10.43,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc3ccccc3Cl)C2=O,0.0
15913,CO-ADD:0226991,10.43,N(C1=O)(c(ccs2)c2C(N3Cc4ccco4)=O)C3=NN1CC(=O)N(C)c5ccccc5,0.0
15914,CO-ADD:0166123,10.43,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\C(C)(C)C,0.0
15915,CO-ADD:0165967,10.43,c1(c2c(cccc2)ccc1OC(=O)c3ccc(cc3)Br)\C=N\c4ccc(cc4C)C,0.0
15916,CO-ADD:0166328,10.43,c1(c(c(C)ccc1C(NCCC(OC)=O)=O)OCc2ccccc2)[N+](=O)[O-],0.0
15917,CO-ADD:0166270,10.42,C(=O)(Nc(cc1)ccc1NC(C)=O)c2cccs2,0.0
15918,CO-ADD:0166649,10.42,C(C(=O)OC(C)C)(C1c2ccc(cc2)Cl)=C(N)OC(CCCC3=O)=C13,0.0
15919,CO-ADD:0236936,10.42,O=C(/C(CN(C(OC(C)(C)C)=O)C/1)=C/C2=CC=C(C)C=C2C)C1=CC3=C(C)C=C(C)C=C3,0.0
15920,CO-ADD:0217508,10.42,n1c2c(oc1c3cccc(c3)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br)cc(C)c(C)c2,0.0
15921,CO-ADD:0158203,10.42,O=C(C1=CC=C(N(C)C)C=C1)N/N=C/C2=C(O)C=CC(Br)=C2,0.0
15922,CO-ADD:0164521,10.42,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,0.0
15923,CO-ADD:0164907,10.42,Cc1occc(=O)c1O,0.0
15924,CO-ADD:0164436,10.42,[O-]C1=NC(=O)CN1\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O.[Na+],0.0
15925,CO-ADD:0214939,10.42,C(=O)(N\N=C\CCC)c1ccc(cc1)NC(CC)=O,0.0
15926,CO-ADD:0226990,10.42,N(C1=O)(c(ccs2)c2C(N3Cc4ccco4)=O)C3=NN1CC(=O)N5CCC(CC5)C,0.0
15927,CO-ADD:0166633,10.42,c1(N2CCCCC2)nc(Cl)nc(NC(C)C)n1,0.0
15928,CO-ADD:0166565,10.42,C(=O)(N\N=C\c1c(O)ccc(cccc2)c12)C(=O)Nc3cc(C)ccc3C,0.0
15929,CO-ADD:0166551,10.42,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccc(cc2)OCc(cc3)ccc3C)c4cccc(C)c4,0.0
15930,CO-ADD:0166510,10.42,C(=O)(Nc(cc1)ccc1CC)C(=O)NCc(ccc(c23)OCO2)c3,0.0
15931,CO-ADD:0218329,10.42,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
15932,CO-ADD:0218458,10.42,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Cl)CC(=O)N\N=C\c(ccc(c3OCC)OCc4ccccc4)c3,0.0
15933,CO-ADD:0217912,10.42,C(=O)(c1ccc(cc1)NC(c2ccccc2)=O)Nc(cc3)ccc3C(OC)=O,0.0
15934,CO-ADD:0158211,10.42,ClC1=CC=C(C=C1)C(N/2C3=CC=CC=C3)=C(C4=CC=CC=C4)SC2=N/C5=CC=CC=C5,0.0
15935,CO-ADD:0158283,10.42,[O-][N+](C1=CC=CC=C1C(N/N=C/C2=CC=C(C3=CC=C(Cl)C=C3)O2)=O)=O,0.0
15936,CO-ADD:0157945,10.42,O=C(C/C(C)=N/NC(CC1=CC=C(C2=CC=CC=C2)C=C1)=O)NC(C=CC=C3)=C3C,0.0
15937,CO-ADD:0158169,10.42,N#CC1=C(SCC(CC(OCC)=O)=O)N=C(N)N=C1SC,0.0
15938,CO-ADD:0243624,10.42,c(CO)(c1)cc(OCO2)c2c1OC,0.0
15939,CO-ADD:0164526,10.42,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4.CS(=O)(=O)O,0.0
15940,CO-ADD:0164942,10.41,Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1,0.0
15941,CO-ADD:0165005,10.41,CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O,0.0
15942,CO-ADD:0164600,10.41,CC(N\C(Nc1ccncc1)=N\C#N)C(C)(C)C.O,0.0
15943,CO-ADD:0214895,10.41,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)N(CC)CC)n2,0.0
15944,CO-ADD:0215629,10.41,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c2ccccc2C(F)(F)F)c3ccc(cc3C)C,0.0
15945,CO-ADD:0215769,10.41,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3c4ccccc4OC)C1=O,0.0
15946,CO-ADD:0225295,10.41,C1(=N2)N(c3c(cccc3)N=C1Oc(cc4)ccc4C)C(N2CC(=O)Nc(cccc5C(F)(F)F)c5)=O,0.0
15947,CO-ADD:0225559,10.41,N12C(C=CC(C(=O)Nc(cc3)ccc3OC)=C1)=NN(CC(=O)Nc4c(OC)ccc(Cl)c4)C2=O,0.0
15948,CO-ADD:0225591,10.41,N12C(=NN(CC(=O)Nc3cc(C)ccc3C)C1=O)N(C(=O)c(n(cc4c5ccccc5)C)c24)C,0.0
15949,CO-ADD:0165909,10.41,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C/c(ccc(c2OCC)OCC=C)c2,0.0
15950,CO-ADD:0154565,10.41,O=C(C1CCN(CC2=CC=CC=C2)CC1)ON,0.0
15951,CO-ADD:0157985,10.41,O=C(N/N=C/C(C=CC=C1)=C1OCC)C(C)OC(C=CC=C2)=C2Br,0.0
15952,CO-ADD:0159656,10.41,FC(C=C1)=CC=C1N2C(C)=C(C(OCC(N)=O)=O)C=C2C,0.0
15953,CO-ADD:0159662,10.41,ClC(C=C1)=CC=C1C2=NN=C3N2C(OCCC4=CC=CC=C4)=CN=C3,0.0
15954,CO-ADD:0159663,10.41,O=C(NC1=CC(Cl)=CC=C1)C2=CN=CC(N23)=NN=C3C4=CC=C(OC(F)(F)F)C=C4,0.0
15955,CO-ADD:0243632,10.41,c(OC)(cc1C#Cc(cc2)ccc2OC)c(OCO3)c3c1OC,0.0
15956,CO-ADD:0243928,10.41,C(C)(=C1)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)NCCc(cc4)ccc4O)=C1O,0.0
15957,CO-ADD:0164608,10.41,CCCCN1CCCC1CNC(=O)c1cc(C#N)c2ccccc2c1OC,0.0
15958,CO-ADD:0164946,10.41,CN1[C@H]2CC(C[C@@H]1[C@H]3O[C@H]32)OC(=O)[C@H](CO)c4ccccc4.Br.O.O.O,0.0
15959,CO-ADD:0164810,10.41,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12,0.0
15960,CO-ADD:0215591,10.41,c1(c2ccc(cc2)OC)nc(sc1c3ccccc3)N\N=C\c4ccc(cc4Cl)Cl,0.0
15961,CO-ADD:0215464,10.41,C(CSCc1ccccc1Br)(=O)N\N=C\c(cc2)ccc2F,0.0
15962,CO-ADD:0166177,10.41,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(cc(I)cc2I)c2O,0.0
15963,CO-ADD:0154603,10.41,CC1=CC=C(N=C(Cl)C(/C=N/CC2=CC=CC=C2)=C3)C3=C1,0.0
15964,CO-ADD:0154604,10.41,CC1=CC=C(N=C(Cl)C(/C=N/C(C)(C)C)=C2)C2=C1,0.0
15965,CO-ADD:0159668,10.41,C1(C=C(C2=CC=CC=C2)S3)=C3C4(CCN(CC5=CC=CC=C5)CC4)OCC1,0.0
15966,CO-ADD:0159687,10.41,O[C@@H]1[C@H](O)[C@@H](COP(O[C@H](C)CC2[C@@H](O)[C@@H](O)[C@H](O)[C@@H]([C@@H](O)CO)O2)(O)=O)O[C@H]1N(C=N3)C4=C3C(N)=NC=N4.CCN(CC)CC,0.0
15967,CO-ADD:0243016,10.41,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCc4ccccc4Cl)O3)OC.Cl,0.0
15968,CO-ADD:0215480,10.4,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
15969,CO-ADD:0166579,10.4,C1(C(=O)NNC(=O)c2ccccc2Br)CC1c3ccccc3,0.0
15970,CO-ADD:0225566,10.4,N12C(C=CC(Sc3ccccc3)=N1)=NN(CC(=O)Nc(cc4)ccc4C(C)=O)C2=O,0.0
15971,CO-ADD:0225590,10.4,N12C(=NN(CC(=O)Nc3c(C)cccc3C)C1=O)N(C(=O)c(n(cc4c5ccccc5)C)c24)C,0.0
15972,CO-ADD:0225606,10.4,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccccc4OCC)=O,0.0
15973,CO-ADD:0226710,10.4,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc4ccc(cc4F)Cl,0.0
15974,CO-ADD:0226734,10.4,N1(c(ccs2)c2C(N3CCc4ccccc4)=O)C3=NN(Cc5ccccc5F)C1=O,0.0
15975,CO-ADD:0215356,10.4,C(C(OCC)=O)(C1c2ccc(cc2)SC)=C(CSc3c(ccc(c4cccs4)n3)C#N)OC(N)=C1C#N.C(=O)O,0.0
15976,CO-ADD:0236948,10.4,O=C(C1=CC(OC)=CC=C1CC/2)C2=CC3=CC=CN=C3Br,0.0
15977,CO-ADD:0156632,10.4,OC([C@@H](NC(C1=CC=C(C(OC)=C1)O)=O)CC(C)C)=O,0.0
15978,CO-ADD:0243061,10.4,c1(c(OC)c(OC)c(c2c1Br)OCO2)C(ON=C3C(=O)N\N=C\c4ccccc4F)C3C,0.0
15979,CO-ADD:0217395,10.4,n1c(N2CCCC2)nc(nc1N(CC3)CCO3)N\N=C/c(cc4OC)cc(c4O)Br,0.0
15980,CO-ADD:0243622,10.4,c(O1)(cc(CC#N)c2OC)c(OC1)c2OC,0.0
15981,CO-ADD:0243630,10.4,c1(OC2)c(O2)cc(C3C(C#N)=C(N)Oc(c4)c3cc(O5)c4OC5)cc1OC,0.0
15982,CO-ADD:0164488,10.4,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc12)C(C)C.[Br-],0.0
15983,CO-ADD:0164866,10.4,[O-][N+](=O)OCCNC(=O)c1cccnc1,0.0
15984,CO-ADD:0166156,10.4,c(\C=N\NC(COc1c(C)cccc1C)=O)(cc(OCO2)c2c3)c3Br,0.0
15985,CO-ADD:0166637,10.4,C(C(=O)N(CC1)CCO1)(C2c3ccccc3)C(C2C(=O)N\N=C\c4cccc(F)c4)c5ccccc5,0.0
15986,CO-ADD:0217894,10.4,S(=O)(=O)(N(C)C)NCC(=O)N\N=C\c(cc1)ccc1[N+](=O)[O-],0.0
15987,CO-ADD:0225568,10.4,N12C(C=CC(Sc3ccccc3)=N1)=NN(CC(=O)N(CC4)CCN4c5ccc(cc5)F)C2=O,0.0
15988,CO-ADD:0225584,10.4,N12C(C=CC(Sc3cccc(F)c3)=N1)=NN(CC(=O)Nc4c(OC)cc(c(Cl)c4)OC)C2=O,0.0
15989,CO-ADD:0215624,10.4,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)F)Nc2cc(C)ccc2OC,0.0
15990,CO-ADD:0215315,10.4,c1(C#N)c(c2ccccc2)c3c(nc1SCc(ccc(c4Cl)Cl)c4)CCCC3,0.0
15991,CO-ADD:0215764,10.4,C(=O)(C(C(C)C)NC(OCc1ccccc1)=O)NC(Cc(cc2)ccc2OCc3ccccc3)C(O)=O,0.0
15992,CO-ADD:0215164,10.4,C(/C(=O)c1ccc(cc1)F)=C\c2cccs2,0.0
15993,CO-ADD:0244017,10.4,C1C[C@](C)(C(C(=O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(=O)CCCCO[N+]([O-])=O,0.0
15994,CO-ADD:0217263,10.4,c(C(OCC)=O)(sc(c12)nc(c(C)c1C)C)c2N,0.0
15995,CO-ADD:0216824,10.4,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C(/C)\c(cccc2NC(=O)c3cccc(Cl)c3)c2,0.0
15996,CO-ADD:0243857,10.4,C1=C(C)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)Nc(cc4)ccc4OC)=C1O,0.0
15997,CO-ADD:0243881,10.4,c(cc1)(OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)NCc(cc(OCO4)c45)cc5)=C6O)c6cc1,0.0
15998,CO-ADD:0225608,10.4,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc(ccc(c45)OCCO4)c5)=O,0.0
15999,CO-ADD:0226742,10.4,N1(c(ccs2)c2C(N3Cc4ccccc4OC)=O)C3=NN(Cc5cccc(C)c5)C1=O,0.0
16000,CO-ADD:0166203,10.4,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
16001,CO-ADD:0166550,10.39,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)c2ccc(cc2)OCc(cc3)ccc3C,0.0
16002,CO-ADD:0166214,10.39,C(=O)(Oc1ccccc1\C=N\NC(c(cc2)ccn2)=O)c3ccco3,0.0
16003,CO-ADD:0166221,10.39,C(=O)(NCC(=O)N\N=C\c1cccc(cccc2)c12)c3ccco3,0.0
16004,CO-ADD:0215733,10.39,s1c(c2ccccc2)nnc1NC(=O)c3ccc(cc3)C,0.0
16005,CO-ADD:0215741,10.39,C(=O)(C(=O)NCC1CCCO1)Nc2cccc(C)c2C,0.0
16006,CO-ADD:0243999,10.39,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(=O)C(N)Cc6ccccc6,0.0
16007,CO-ADD:0250290,10.39,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(cc3OC)cc(c3O)OC,0.0
16008,CO-ADD:0250268,10.39,C(=N/c1ccccc1)(/SC=C2c3ccccc3)\N2CCCO.Br,0.0
16009,CO-ADD:0250451,10.39,c(C#N)(c(\C(\C#N)=C\c1cc(Br)ccc1OC(C)C)nn2c3ccccc3)c2N,0.0
16010,CO-ADD:0256030,10.39,S(=O)(=O)(N(CC)CC)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c(ccc(c2[N+](=O)[O-])N(CC3)CCN3Cc4ccccc4)c2,0.0
16011,CO-ADD:0250588,10.39,[N+](=O)([O-])c1ccccc1C(=O)Nc(ccc(c2s3)nc3SCC(=O)NC4CC4)c2,0.0
16012,CO-ADD:0253656,10.39,c1(cc(sc1CC)\C=C(/C2=O)\C(c3ccccc3)=NO2)[N+](=O)[O-],0.0
16013,CO-ADD:0257075,10.39,C(NCCc(cc1)ccc1Cl)(=O)C(NCCCO)=O,0.0
16014,CO-ADD:0252213,10.39,C(=O)(N\N=C/c(cccn1)c1)c(ccc(c23)OCO2)c3,0.0
16015,CO-ADD:0252462,10.39,c(N(CC1)CCO1)(cc2C)c(F)cc2C(C)=O,0.0
16016,CO-ADD:0255237,10.39,C(C#N)(C(c1ccccc1)C2=C(N3c4ccccc4F)CCCC2=O)=C3N,0.0
16017,CO-ADD:0252741,10.39,[N+](=O)([O-])N(C1)CN\C(=N/[N+](=O)[O-])\N1,0.0
16018,CO-ADD:0252777,10.39,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cc4)ccc4Br,0.0
16019,CO-ADD:0248072,10.39,N1(c2cccc(c2)C(=O)Nc(cc3)ccc3[N+](=O)[O-])C(=O)c(c4C1=O)ccc(c4)[N+](=O)[O-],0.0
16020,CO-ADD:0253459,10.39,N1C(=O)NC=C(NCCCC)C1=O,0.0
16021,CO-ADD:0253551,10.39,c1(C(F)(F)F)nc(sc1c2ccc(cc2)Cl)Nc3ccc(cc3C)C,0.0
16022,CO-ADD:0256546,10.39,c1(nc(c2ccccc2)nc3\N=C\N(C)C)c3c(c(C#N)s1)C,0.0
16023,CO-ADD:0256268,10.39,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cccc3Oc4ccc(cc4[N+](=O)[O-])C(F)(F)F)c3,0.0
16024,CO-ADD:0254012,10.39,[N+](=O)([O-])c1ccccc1SN2CCCC2C(=O)Nc3c(C)cccc3C,0.0
16025,CO-ADD:0253620,10.38,C1(c2ccccc2[N+](=O)[O-])=Nc(c3C(=O)O1)ccc(I)c3,0.0
16026,CO-ADD:0255438,10.38,c1(noc(c2ccc(cc2)NC(=O)C(F)(F)F)n1)c3nonc3N,0.0
16027,CO-ADD:0255607,10.38,C1(=O)C(c2ccccc2)(c3ccc(cc3)OC(C)C)NC(=O)N1,0.0
16028,CO-ADD:0255872,10.38,n1(c2ccccc2)c(SCC(=O)Nc3ccccc3OC(C)C)nnc1c4ccco4,0.0
16029,CO-ADD:0250302,10.38,C(C#N)(C1c(cc2)ccc2N(CC)CC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
16030,CO-ADD:0250606,10.38,c(C(c1ccccc1)=O)(c(cc(O)cc2)c2n3Cc4ccccc4)c3c5ccccc5,0.0
16031,CO-ADD:0250630,10.38,N1(c2cccc(Cl)c2)C(=O)\C(\SC1=S)=C/c(cc3)cc(c3OC(=O)c4ccc(cc4Cl)Cl)OC,0.0
16032,CO-ADD:0255628,10.38,N(C1)(C2c3ccc(cc3)OC)C(c4ccc(cc4)OC)C(C5=O)C(c6ccc(cc6)OC)N1C(C25)c7ccc(cc7)OC,0.0
16033,CO-ADD:0250544,10.38,c1(N(CC2)CCN2Cc(ccc(c34)OCO3)c4)sc(c(ccc5[N+](=O)[O-])n1)c5,0.0
16034,CO-ADD:0254073,10.38,C(C#N)(C(c1ccc(cc1)F)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
16035,CO-ADD:0250420,10.38,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(cc3)ccc3C(C)C)\N2c4ccccc4,0.0
16036,CO-ADD:0255538,10.38,C(=O)(N\N=C\c1cccc(OC)c1O)C(OCC)=O,0.0
16037,CO-ADD:0256787,10.38,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(=O)Nc2cccc(Cl)c2,0.0
16038,CO-ADD:0256459,10.38,C1(C(OCC)=O)=NN(CC1C(OC)=O)c2ccccc2,0.0
16039,CO-ADD:0253450,10.38,S(=O)(=O)(N(CC)CC)c1c(OC)ccc(c1)C(=O)Nc2ccccc2,0.0
16040,CO-ADD:0247578,10.38,N(/OC(CCc1ccccc1)=O)=C(/C)\c2ccccn2,0.0
16041,CO-ADD:0252946,10.38,n1c2c(cccc2)ccc1SCC(=O)Nc(cc3)ccc3C,0.0
16042,CO-ADD:0252932,10.38,S(=O)(=O)(c1ccc(cc1)Oc2cccc(N)c2)c3ccc(cc3)Oc4cccc(N)c4,0.0
16043,CO-ADD:0252747,10.38,N1(C(CC)=O)N=C(CC1(O)c2ccccc2)C,0.0
16044,CO-ADD:0247585,10.38,c1(SC(c2ccccc2)c3ccccc3)[nH]c(c4n1)cc(c(C)c4)C,0.0
16045,CO-ADD:0247693,10.38,c1(cccc(cccc2)c12)C(=O)N\N=C\c3cccc(CC=C)c3O,0.0
16046,CO-ADD:0254638,10.38,n1c2c(oc1SCCSc3oc(c4n3)cccc4)cccc2,0.0
16047,CO-ADD:0247505,10.38,C1(C)(OCCO1)CC(=O)N\N=C(/C)\c2cccc(I)c2,0.0
16048,CO-ADD:0253908,10.38,N1(CN(CC2)CCC2C(OCC)=O)c(cccc3)c3\C(=N/c(cc4)ccc4CC)\C1=O,0.0
16049,CO-ADD:0250183,10.38,n1(nnc(C(OC)=O)c1CSc2oc(c3n2)cccc3)c4nonc4N,0.0
16050,CO-ADD:0250724,10.37,C(=C\c1cccc(Br)c1)(/C(=O)NN2c3ccc(c(C)c3)C)\C2=O,0.0
16051,CO-ADD:0255265,10.37,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OCC)c4)O,0.0
16052,CO-ADD:0256950,10.37,N1(c(ccc(c2s3)nc3SCC(=O)Nc(cccc4[N+](=O)[O-])c4)c2)C(=O)c5c(cccc5)C1=O,0.0
16053,CO-ADD:0254102,10.37,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(=O)NC1c3ccc(cc3)O,0.0
16054,CO-ADD:0250656,10.37,C(C(OCC)=O)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
16055,CO-ADD:0253574,10.37,N(CN(CC1)CCO1)(N=C(N2C)c3cccc(OC)c3)C2=S,0.0
16056,CO-ADD:0250373,10.37,n1(c2c(n3)cccc2)c3S\C(=C/c4cccc(OC)c4OCc5ccc(cc5Cl)Cl)\C1=O,0.0
16057,CO-ADD:0255470,10.37,N1(Cc(cccn2)c2)C(C)(O)C(OC1=O)(C)CC\C=C(/C)\C,0.0
16058,CO-ADD:0250119,10.37,N12C(N(C=N1)COCCOC(C)=O)=NC(C)=C([N+](=O)[O-])C2=O,0.0
16059,CO-ADD:0256387,10.37,n1(CN(CC2)CCO2)nnc(c(cccn3)c3)n1,0.0
16060,CO-ADD:0253187,10.37,c1(c(Cl)cc(cc1Cl)Cl)N\N=C(/C)\c2ccc(cc2Cl)Cl,0.0
16061,CO-ADD:0256865,10.37,c(C(OCC)=O)(c(cc(OC)c(c1)Br)c1n2CC(OC)=O)c2CNC(C)=O,0.0
16062,CO-ADD:0256124,10.37,n1c2c(oc1c3ccc(cc3)C)ccc(c2)NC(=O)c(c4)cc(c(C)c4[N+](=O)[O-])[N+](=O)[O-],0.0
16063,CO-ADD:0250358,10.37,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)Nc(cc2)ccc2OC,0.0
16064,CO-ADD:0255986,10.37,C(=C/c(cc1OCC)cc(c1O)I)(/C(=O)NN2c3ccc(cc3)C)\C2=O,0.0
16065,CO-ADD:0253398,10.37,c12c(c(c(C)[nH]1)C)sc(C)c2C(OCC)=O,0.0
16066,CO-ADD:0247354,10.37,n1(CC)c2c(c(cc(cc3)NC(=O)C\C(\C)=N\NC(=O)c(ccc(c4Cl)Cl)c4)c13)cccc2,0.0
16067,CO-ADD:0247933,10.37,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
16068,CO-ADD:0247381,10.37,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c(ccc(c34)OCO3)c4,0.0
16069,CO-ADD:0254521,10.37,C(=O)(Oc(c(OC)ccc1C(=S)N(CC2)CCO2)c1)c3ccccc3Cl,0.0
16070,CO-ADD:0253050,10.37,c1(n(C)ncc1[N+](=O)[O-])C(=O)N(CC)c2ccccc2,0.0
16071,CO-ADD:0247357,10.37,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
16072,CO-ADD:0254459,10.37,C1(=S)NC(=C(CCSC)N1)C,0.0
16073,CO-ADD:0254479,10.37,S(O)(=O)(=O)c1cc(cc(OC)c1OC)c2c(cccn2)O,0.0
16074,CO-ADD:0254548,10.37,n1(CC)c2c(c(cc(cc3)\C=N\c4ccccc4C)c13)cccc2,0.0
16075,CO-ADD:0254546,10.37,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c3ccccc3)\N2CCCO)N(CC4)CCO4.Br,0.0
16076,CO-ADD:0249347,10.37,n1(C)c(c(cc2)ccc2C(C)(C)C)nnc1SC(C)C(=O)NC(c3ccccc3)c4ccccc4,0.0
16077,CO-ADD:0253803,10.37,C12(c(cccc3)c3C(c4ccccc4)(c5ccccc5)S1)SC(=NN2c6cccc(Cl)c6C)C(C)=O,0.0
16078,CO-ADD:0256433,10.37,N(CN(CC1)CCN1C(OCC)=O)(N=C(N2c3ccccc3)COc4ccccc4)C2=S,0.0
16079,CO-ADD:0255523,10.37,N1(C(c2ccccc2)=O)N=C(CC1(O)c3ccc(cc3)OC)CC,0.0
16080,CO-ADD:0250704,10.36,S(=O)(=O)(NCc(cccn1)c1)c(ccc(c2C(=O)Nc3ccccc3[N+](=O)[O-])Cl)c2,0.0
16081,CO-ADD:0253598,10.36,c1(\N=C\c2cc(Br)ccc2F)sc(c3c1C(OCC)=O)CCC3,0.0
16082,CO-ADD:0256508,10.36,[C@@H]1([C@H](C(CC12)C=C2)[C@@H](CO3)O[C@@H]34)C4=O,0.0
16083,CO-ADD:0250520,10.36,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
16084,CO-ADD:0250425,10.36,n12c(S\C(=C/c(ccc(c3[N+](=O)[O-])N4CCC(CC4)C)c3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
16085,CO-ADD:0255893,10.36,n1(c(C)ccc1C)c2cccc(c2)C(=O)N\N=C\c(ccc3c(cc4)ccc4C(O)=O)o3,0.0
16086,CO-ADD:0256003,10.36,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C(OC)=O)=C1N)c(cc4)ccc4[N+](=O)[O-],0.0
16087,CO-ADD:0253694,10.36,C(c1ccccc1)(=O)NC(CCSC)C(=O)OCC(=O)Nc(ccc(c2Cl)C)c2,0.0
16088,CO-ADD:0253191,10.36,c1(ccoc1C)C(=O)N\N=C\c(cc2)ccc2C(C)(C)C,0.0
16089,CO-ADD:0255240,10.36,C(C(OC)=O)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cccc4C(F)(F)F)c4,0.0
16090,CO-ADD:0252985,10.36,C(C(C)(C)O)(=C=C)n1cccc1,0.0
16091,CO-ADD:0247840,10.36,n1c2c(oc1c3ccc(cc3)OCC)ccc(c2)\N=C\C=C\c4ccccc4[N+](=O)[O-],0.0
16092,CO-ADD:0252379,10.36,n1c(CO)scc1c2ccccc2,0.0
16093,CO-ADD:0248169,10.36,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4cccs4,0.0
16094,CO-ADD:0254379,10.36,S(=O)(=O)(NC(Cc1ccccc1)C(O)=O)c2ccccc2[N+](=O)[O-],0.0
16095,CO-ADD:0247358,10.36,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCS3)C1=O,0.0
16096,CO-ADD:0252460,10.36,c1(SCC(OCC(=O)Nc(cc2)ccc2C(OCC)=O)=O)nc(C)cc(C)n1,0.0
16097,CO-ADD:0252974,10.36,N1(C(=O)CSc2nnc(SCC(=O)N3N=C(CC3(O)c4ccccc4)C)s2)N=C(CC1(O)c5ccccc5)C,0.0
16098,CO-ADD:0256925,10.36,c1(C(=O)N\N=C\c2ccccc2Cl)c(C)nc3n1ccs3,0.0
16099,CO-ADD:0253929,10.36,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C(/C)\c4ccccc4,0.0
16100,CO-ADD:0256133,10.36,C(C(OC)=O)(C1c2ccccc2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
16101,CO-ADD:0255566,10.36,C(N(CC1)CCO1)(c2c(cccc2)C(C3=O)=O)=C3,0.0
16102,CO-ADD:0249912,10.36,N1C(=O)\C(\SC1=N)=C\c(ccc2c3c(OC)ccc(c3)[N+](=O)[O-])o2,0.0
16103,CO-ADD:0255484,10.36,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)SC)c4sc(c5c4C#N)CCCCC5,0.0
16104,CO-ADD:0253947,10.36,c1(ccc(\C=N\c(c(C)ccc2[N+](=O)[O-])c2)o1)[N+](=O)[O-],0.0
16105,CO-ADD:0256248,10.36,c1(c2c(cccc2)cc(F)c1F)C(O)=O,0.0
16106,CO-ADD:0250295,10.36,N1(c2cccc(Br)c2)C(=O)C(CC1=O)S\C(\NCc(cc3)ccc3Cl)=N\c4ccccc4,0.0
16107,CO-ADD:0256715,10.36,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
16108,CO-ADD:0255959,10.35,C(=O)(Oc(cc1)ccc1F)C(c2c3cccc2)c4c(O3)cccc4,0.0
16109,CO-ADD:0257076,10.35,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccccc5)SC(=NN2c6ccc(cc6)Br)C(OCC)=O,0.0
16110,CO-ADD:0248069,10.35,N1(c(cc2)ccc2C(=O)Nc(cc3)ccc3Cl)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc(cc5)ccc5Cl,0.0
16111,CO-ADD:0248168,10.35,N(CC1)(CCO1)C(=O)COC(CSCC(=O)Nc2ccc(cn2)Br)=O,0.0
16112,CO-ADD:0254527,10.35,N1(C(=O)c2ccccc2C)C(O)(c3ccc(cc3)CC)CC(C(F)(F)F)=N1,0.0
16113,CO-ADD:0247398,10.35,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C(/C)\c3ccccc3,0.0
16114,CO-ADD:0255199,10.35,c1(cccc(cccc2)c12)NC(CSCC(OCC(=O)Nc3ccc(cn3)Br)=O)=O,0.0
16115,CO-ADD:0247436,10.35,C(/c1ccccc1Cl)(\c2c(ccc(Cl)c2)\N=C(/c34)\c5ccccc5Cl)=N\c3ccc(c4)Cl,0.0
16116,CO-ADD:0249187,10.35,n1(nnc(C(=O)N\N=C\C(C)c2ccccc2)c1CN3CCCCCC3)c4nonc4N,0.0
16117,CO-ADD:0255477,10.35,c1(NC(c2ccccc2)=O)nc(CCC)c(c(c3cccc(Br)c3)c1C#N)CC,0.0
16118,CO-ADD:0256213,10.35,C(=C/c(cc1I)cc(c1OC)I)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
16119,CO-ADD:0250615,10.35,N1(Cc2ccccc2)C(=O)\C(\SC1=S)=C\c3c(C)cc(cc3C)C,0.0
16120,CO-ADD:0250222,10.35,c1(SCC(=O)N\N=C(/CC)\c(ccc(c23)OCCO2)c3)ncccn1,0.0
16121,CO-ADD:0256806,10.35,n1c(c2ccc(cc2)O)[nH]c(c3ccccc3)c1c(ccc(c45)c(c6C4=O)cccc6)c5,0.0
16122,CO-ADD:0256774,10.35,c1(N(CC2)CCO2)nc(N\N=C/c(cc3)ccc3N(CC4)CCO4)nc(Nc5ccc(cc5Br)C)n1,0.0
16123,CO-ADD:0249964,10.35,c1(cc(ccc1N(CC2)CCN2Cc3ccccc3)\C=N\NC(COc(cc4)ccc4Cl)=O)[N+](=O)[O-],0.0
16124,CO-ADD:0252939,10.35,N(/c(cc1)ccc1NC(C)=O)=C\c(ccc(c2OC)OC)c2,0.0
16125,CO-ADD:0254392,10.35,c1(ccsc1S)\C=N\c(cc2)ccc2OCCCC,0.0
16126,CO-ADD:0249634,10.35,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
16127,CO-ADD:0255140,10.35,S(=O)(=O)(c1ccc(cc1)\N=C\c2cccc(OC)c2O)Nc3ccccn3,0.0
16128,CO-ADD:0248974,10.35,S(=O)(=O)(c1ccc(cc1)OCCCC)Nc(cc2)ccc2C(O)=O,0.0
16129,CO-ADD:0247448,10.35,[N+](=O)([O-])c(cc(Oc1ccccc1)cc2NC(COc3ccccc3C)=O)c2,0.0
16130,CO-ADD:0250054,10.35,c1(C#N)c2c(sc1\N=C\C=C\c3ccccc3)CC(C)CC2,0.0
16131,CO-ADD:0255754,10.35,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(NC1c3ccc(cc3Cl)Cl)=O,0.0
16132,CO-ADD:0256215,10.35,c1(C(O)=O)n(c2ccccc2)nnc1C(O)=O,0.0
16133,CO-ADD:0250616,10.35,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C/c3cc(OC)ccc3OC,0.0
16134,CO-ADD:0250289,10.35,c1(n(C(C)C)c2c(cccc2)n1)c3nonc3N,0.0
16135,CO-ADD:0256304,10.35,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c3ccccc3F)=O,0.0
16136,CO-ADD:0256904,10.34,S(=O)(=O)(N(c1ccccc1)CC(=O)Nc(cccc2C(C)=O)c2)c3ccccc3[N+](=O)[O-],0.0
16137,CO-ADD:0250304,10.34,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(c(OC)c4)O,0.0
16138,CO-ADD:0255529,10.34,N(\C(=C/c(ccc(c1OCC)OCc2ccccc2Cl)c1)\C(O3)=O)=C3c4ccccc4,0.0
16139,CO-ADD:0247934,10.34,C(C1CCCCC1)(=O)NCc(ccc(c23)OCO2)c3,0.0
16140,CO-ADD:0254916,10.34,C(=O)(CN1CCCC1)Nc(cc2)ccc2C(OC)=O,0.0
16141,CO-ADD:0253076,10.34,c1(sc(c2n1)cccc2)Sc3ccc(\C=N\NC(=O)c4c(O)cc(c5c4)cccc5)o3,0.0
16142,CO-ADD:0252860,10.34,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c3cccc(OC)c3,0.0
16143,CO-ADD:0248150,10.34,n1(C)cnnc1SCC(=O)Nc(cccc2C(C)=O)c2,0.0
16144,CO-ADD:0248865,10.34,C(F)(F)(F)c(ccc(n1)N\N=C\c2c(O)ccc(cccc3)c23)c1,0.0
16145,CO-ADD:0255063,10.34,C1(CC1)(C2C(C3C(=O)Nc4ccccc4F)C(O)=O)C3C=C2,0.0
16146,CO-ADD:0255041,10.34,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(ccc(c4OC)OCC#N)c4)nc(Nc(cc5)ccc5C)n1,0.0
16147,CO-ADD:0250048,10.34,C(C(N)=O)(C(c1ccc(cc1)Cl)C2=C(N3c4ccc(cc4)C)CC(C)(C)CC2)=C3N,0.0
16148,CO-ADD:0253717,10.34,C(C(OCC)=O)(C1c(cc2)ccc2N(C)C)=C(C)N(C(C)=C1C(OCC)=O)c3ccccc3,0.0
16149,CO-ADD:0255348,10.34,c1(NC(COC(CSc2oc(c3n2)cccc3)=O)=O)nnc(C)s1,0.0
16150,CO-ADD:0250298,10.34,N1(c2ccc(cc2)F)C(=O)CC(N(CCc(cc3)ccc3OC)C(=O)\C=C\C(O)=O)C1=O,0.0
16151,CO-ADD:0256784,10.34,n(ccn1)(c1)C(=O)c2ccc(c(F)c2)F,0.0
16152,CO-ADD:0255674,10.34,c1(ccccc1F)C(=O)NCc2ccccn2,0.0
16153,CO-ADD:0256891,10.34,c1(N\N=C(/C)\c2ccc(cc2)OCc3ccccc3)sc(c4n1)cccc4,0.0
16154,CO-ADD:0257180,10.34,C(/C(C)=NN1c(ccc(c2C(O)=O)Cl)c2)(=C\c(c3)c(N(CC4)CCO4)cc(N(CC5)CCO5)c3[N+](=O)[O-])\C1=O,0.0
16155,CO-ADD:0257030,10.34,N1(CSCC1C(=O)Nc2cccc(C)c2)C(=O)OCc3ccccc3,0.0
16156,CO-ADD:0257023,10.34,C(=O)(Nc(cc1)ccc1C(=O)N(CC2)CCO2)c3ccccc3Cl,0.0
16157,CO-ADD:0250201,10.34,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
16158,CO-ADD:0256086,10.34,c1(N2CCCCC2)nc(N\N=C/c(ccc3c4cccc(Cl)c4Cl)o3)nc(Nc(cc5)ccc5F)n1.Cl,0.0
16159,CO-ADD:0256135,10.34,C(C(OC)=O)(C(c1ccc(cc1)Br)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
16160,CO-ADD:0255276,10.34,N1(CN(C(CCCCC)=O)c2cccc(c2)C(O)=O)C(=O)c3c(cccc3)C1=O,0.0
16161,CO-ADD:0255846,10.34,C(=O)(c1ccc(cc1)Br)N(CC2)CCN2c3ccc(cc3)F,0.0
16162,CO-ADD:0248146,10.34,c12c(nnc(SCC(=O)Nc(cccc3C(C)=O)c3)n1)c4c(cccc4)n2CC=C,0.0
16163,CO-ADD:0252892,10.34,N(C(COc(cc1)ccc1F)=O)c2ccc(cc2Cl)Cl,0.0
16164,CO-ADD:0247543,10.34,n1(c2ccccc2)c(SCc3[nH]c(c4n3)cccc4)nnc1c5ccc(c(OC)c5)OC,0.0
16165,CO-ADD:0247715,10.34,C1(c2ccccc2)(CC1(Cl)Cl)C(=O)Nc3ccccc3C,0.0
16166,CO-ADD:0252772,10.34,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c4ccccc4O,0.0
16167,CO-ADD:0254620,10.33,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc4OC)cc(c4OCC=C)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
16168,CO-ADD:0256887,10.33,c1(\C=N\c2ccccc2)c(Nc3ccccc3)cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
16169,CO-ADD:0256103,10.33,c1(N(CC2)CCO2)nc(N\N=C/c3ccc(cc3OC)OC)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
16170,CO-ADD:0253881,10.33,n1(CC=C)c(SCC(=O)c2ccc(cc2)CC)nnc1c3cccc(OC)c3,0.0
16171,CO-ADD:0250395,10.33,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3OC)cc(c3O)OC,0.0
16172,CO-ADD:0253379,10.33,n1(c2ccc(cc2)C)c(c3ccccc3)c(cc1c4ccccc4)\C=N\c5ccc(cc5C)C,0.0
16173,CO-ADD:0255929,10.33,[N+](=O)([O-])c1c(C)ccc(c1)\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
16174,CO-ADD:0250270,10.33,n1(nnc(C(OCC)=O)c1CN2C(=O)c3c(cccc3)C2=O)c4nonc4N,0.0
16175,CO-ADD:0253073,10.33,c(Nc1ccc(cc1OC)OC)(nc(Cl)nc2NC(C)C)n2,0.0
16176,CO-ADD:0252950,10.33,S(CCCCCCCCCC)(=O)(=O)N\N=C\c(cccc1[N+](=O)[O-])c1,0.0
16177,CO-ADD:0247350,10.33,n1(cnnn1)c(cc(Cl)c(c2[N+](=O)[O-])C)c2,0.0
16178,CO-ADD:0252773,10.33,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(ccc(c45)OCO4)c5,0.0
16179,CO-ADD:0254460,10.33,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2S(=O)(=O)Oc(cc3)ccc3NC(C)=O)Oc(cc4)ccc4NC(C)=O,0.0
16180,CO-ADD:0254290,10.33,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CSc2cccc(cccn3)c23)=O,0.0
16181,CO-ADD:0256872,10.33,C1(C(OCCCCCCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)Br)=O,0.0
16182,CO-ADD:0250070,10.33,N1(CC(CC1C(=O)Nc2cc(C)ccc2C)O)C(=O)OCc3ccccc3,0.0
16183,CO-ADD:0253444,10.33,N1(NC(C)=O)C(=O)c2c(cc(cc2)Oc(cc3)ccc3[N+](=O)[O-])C1=O,0.0
16184,CO-ADD:0253196,10.32,C1(C(=O)OC2CCCCCC2)=C(C)NC(NC1c3cccc(OC)c3OC)=O,0.0
16185,CO-ADD:0256736,10.32,c(c(C)on1)(c1c2ccccc2)C(=O)Nc3cccc(OC4CCCC4)c3,0.0
16186,CO-ADD:0256738,10.32,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cccc2[N+](=O)[O-])c2,0.0
16187,CO-ADD:0249955,10.32,C(=N\Nc(cc1)ccc1Cl)(/C(N)=NN2)\C2=N,0.0
16188,CO-ADD:0256143,10.32,N1(c2ccc(cc2)OCC)C(=O)c(c3C1=O)ccc(c3)N4Cc5c(cccc5)C4,0.0
16189,CO-ADD:0257086,10.32,N1(c(cccc2C(=O)N3CCCCCC3)c2)C(=O)c(c4C1=O)cccc4,0.0
16190,CO-ADD:0253385,10.32,c12c(c3c(NC(C)(CC)O1)cccc3)nnc(SCCC)n2,0.0
16191,CO-ADD:0250310,10.32,C(C(OC)=O)(C(c1ccc(cc1)OC)C2=C(N3c4ccccc4F)CC(C)(C)CC2=O)=C3N,0.0
16192,CO-ADD:0253979,10.32,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(ccc4c5ccc(cc5)Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
16193,CO-ADD:0249970,10.32,C12(C(=O)C=C(c3ccccc3)O1)C(C(OC)=O)C(C24C(=O)C=C(c5ccccc5)O4)C(OC)=O,0.0
16194,CO-ADD:0247944,10.32,c1(SCC(=O)Nc(cc2)ccc2F)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
16195,CO-ADD:0252717,10.32,c1(C2=O)c(sc(COC(C)(C)C3)c13)NC(=S)N2c4ccccc4,0.0
16196,CO-ADD:0252341,10.32,c1(C(=O)N\N=C/c(cc2)ccc2[N+](=O)[O-])nonc1N,0.0
16197,CO-ADD:0249880,10.32,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)OCC)c4sc(c5c4C#N)CCCCC5,0.0
16198,CO-ADD:0250025,10.32,C(C#N)(C1c2ccc(C)s2)=C(N)SC(N)=C1C#N,0.0
16199,CO-ADD:0250498,10.32,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C\c3c(C)cc(cc3C)C,0.0
16200,CO-ADD:0249987,10.32,c1(NC(CCCOc2ccc(cc2Cl)Cl)=O)sc(c3c1C#N)CCCC3,0.0
16201,CO-ADD:0255807,10.32,s1c(c(cc2)ccc2C(C)(C)C)nnc1NC(=O)c3ccccc3Br,0.0
16202,CO-ADD:0255739,10.32,c1(c2cccs2)[nH]c(c3c1SCC(NN)=O)cccc3,0.0
16203,CO-ADD:0255859,10.31,N(CN(CC1)CCC1C(N)=O)(N=C(N2C)c3cccc(OC)c3)C2=S,0.0
16204,CO-ADD:0256340,10.31,S(=O)(=O)(c1ccc(cc1)C)N(CCN2C(OCC)=O)C2,0.0
16205,CO-ADD:0255937,10.31,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4ccccc4)\N2CC=C,0.0
16206,CO-ADD:0256329,10.31,c1(NC(c2ccccc2)=O)n(c3ccccc3)ncc1C(NCCc4ccccc4)=O,0.0
16207,CO-ADD:0257114,10.31,C(=O)(NNC(=O)C(C)Oc1ccc(cc1Cl)Cl)C(=O)N2CCCC2,0.0
16208,CO-ADD:0257034,10.31,c1(SCC(=O)Nc(ccc(c2s3)nc3SCc(cc4)ccc4Br)c2)sc5c(ccc(N)c5)n1,0.0
16209,CO-ADD:0256859,10.31,C(=O)(c1cccs1)Nc2cc(C)ccn2,0.0
16210,CO-ADD:0256239,10.31,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C\c(cc5)ccc5Br)\C6=O)N36)N(C(=O)N1C)C,0.0
16211,CO-ADD:0256828,10.31,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(=O)NC(C)c3ccc(cc3)OC,0.0
16212,CO-ADD:0256861,10.31,C(=O)(c(cc1)ccc1C(=O)NC(C)(C)C)N(C2CCCCC2)C3CCCCC3,0.0
16213,CO-ADD:0250716,10.31,S(=O)(=O)(c(ccc(c1C(=O)Oc(cccc2c3cnc(c4n3)cccc4)c2)Cl)c1)N(CC5)CCO5,0.0
16214,CO-ADD:0253085,10.31,C(/Sc(cc1)ccc1Cl)(=C(/Sc(cc2)ccc2Cl)\Sc(cc3)ccc3Cl)\S(c4ccccc4)(=O)=O,0.0
16215,CO-ADD:0247526,10.31,N1(\N=C\c(ccc(c2OC)OC)c2)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
16216,CO-ADD:0252414,10.31,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2[N+](=O)[O-])CC(=O)N\N=C\c3ccccc3OCc4ccccc4,0.0
16217,CO-ADD:0253130,10.31,c1(C2)c(CCN2C(=O)c3ccccc3Br)c4c(cccc4)[nH]1,0.0
16218,CO-ADD:0247599,10.31,C(C(OCC)=O)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
16219,CO-ADD:0249116,10.31,c1(ccc(C(=O)Nc2cccc(C)c2)o1)C(c3ccccc3)=O,0.0
16220,CO-ADD:0254283,10.31,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C\c2ccccc2O)c3ccccc3[N+](=O)[O-],0.0
16221,CO-ADD:0249105,10.31,C12(CC(CC3C1)CC(C3)C2)C(=O)Oc4ccc(cc4Cc5ccccc5)Cl,0.0
16222,CO-ADD:0252516,10.31,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)N\N=C\c(cc2)ccc2C(C)C)c3c(OC)ccc(Cl)c3,0.0
16223,CO-ADD:0250299,10.31,N1(c2ccccc2)C(=O)CC(N(Cc(ccc(c34)OCO3)c4)C(C)=O)C1=O,0.0
16224,CO-ADD:0256293,10.31,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2\C(\C)=C\c5ccccc5,0.0
16225,CO-ADD:0253937,10.31,C1(C(=O)Oc(c23)ccc(c2)[N+](=O)[O-])=C3S\C(=C(/C#N)\C#N)\S1,0.0
16226,CO-ADD:0256326,10.3,c1(C#N)c(c2ccc(cc2)Cl)c3c(nc1N)CCCCCCCCCC3,0.0
16227,CO-ADD:0256390,10.3,c1(cccc(\C=N\N=C(\N)/SC)c1O)C(OC)=O,0.0
16228,CO-ADD:0255296,10.3,C(/CC1)(=C/c2ccc(cc2Cl)Cl)\C(=O)\C(\C1)=C\c3ccc(cc3Cl)Cl,0.0
16229,CO-ADD:0256864,10.3,o(c(c1ccc(cc1)Oc(cc2)ccc2[N+](=O)[O-])nn3)c3c(cccc4[N+](=O)[O-])c4,0.0
16230,CO-ADD:0255825,10.3,C(=O)(Nc1ccccn1)c2c(cccc2OC)OC,0.0
16231,CO-ADD:0256773,10.3,n12c(nnc1CC(OCC)=O)c(nc(non3)c23)Nc4ccccc4F,0.0
16232,CO-ADD:0250066,10.3,n1(N)c(C)nnc1N\N=C\c2cccc(OC)c2O.Cl.Cl,0.0
16233,CO-ADD:0256870,10.3,N1(c2ccccc2)C(=O)CC(N(CCc(cc3)ccc3OC)C(CC)=O)C1=O,0.0
16234,CO-ADD:0256946,10.3,c(COc1cc(C)ccc1C(C)C)(c2C)c(C)c(c(C)c2COc3cc(C)ccc3C(C)C)COc4cc(C)ccc4C(C)C,0.0
16235,CO-ADD:0256962,10.3,N(/c1cccc(O)c1)=C\c2cccc(O)c2,0.0
16236,CO-ADD:0253157,10.3,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(C(OCC)=O)c2,0.0
16237,CO-ADD:0255404,10.3,c1(c2c([nH]c1)cccc2)C(c(cc3)ccc3N(C)C)c4c5c([nH]c4)cccc5,0.0
16238,CO-ADD:0254087,10.3,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c3ccc(cc3O)O,0.0
16239,CO-ADD:0250401,10.3,c1(c2ccco2)nc(n3c1\N=C\c4cc(Br)ccc4OC(C)C)cccc3,0.0
16240,CO-ADD:0252203,10.3,C(=O)(N\N=C/c(cc1)cc(c1OC(C)=O)OC)c2ccc(cc2)F,0.0
16241,CO-ADD:0252605,10.3,C12(C(C)=NN(c3ccccc3)C1=O)C(C24C(C)=NN(c5ccccc5)C4=O)c6ccccc6,0.0
16242,CO-ADD:0252270,10.29,C(C(OC)=O)(C1c2ccc(cc2)Cl)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
16243,CO-ADD:0252240,10.29,[C@]1(\C(\C)=N/OC(C)=O)(ON=C2C(OC)=O)[C@H]2CC(C(C34)CC=C(C[C@H](CC5)OC(C)=O)[C@@]35C)[C@]1(C)CC4,0.0
16244,CO-ADD:0247541,10.29,n1(NC(=O)C23CC(CC(C4)C2)CC4C3)nnnc1Nc5ccccc5,0.0
16245,CO-ADD:0247595,10.29,C(C#N)(C1c2ccc(cc2)OCC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
16246,CO-ADD:0254498,10.29,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(c(OC)c2)c(OC)cc2C(=S)N(CC3)CCO3)c1C,0.0
16247,CO-ADD:0249158,10.29,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c(cc4)ccc4OC(C)=O)C2,0.0
16248,CO-ADD:0249559,10.29,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCC(OCc5ccccc5)=O,0.0
16249,CO-ADD:0247665,10.29,P(c1ccccc1)(c2ccccc2)(c3ccccc3)=Nc(cccc4[N+](=O)[O-])c4,0.0
16250,CO-ADD:0249184,10.29,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(OCC)c3)n1,0.0
16251,CO-ADD:0255838,10.29,C1(=C(C)NC(=O)NC1c(cc2)ccc2N(C)C)C(=O)OC(C)C(C)(C)C,0.0
16252,CO-ADD:0257183,10.29,c(C#N)(c(\C(\C#N)=C\c(ccc(c1OCC)OCc(cc2)ccc2Cl)c1)nn3c4ccccc4)c3N,0.0
16253,CO-ADD:0257049,10.29,C1([N+](=O)[O-])=C(NCCOc(cc2)ccc2OC)c3c(cccc3)OC1=O,0.0
16254,CO-ADD:0250703,10.29,S(=O)(=O)(N(CC1)CCO1)c2c(F)ccc(c2)C(=O)Nc(cccc3C(O)=O)c3,0.0
16255,CO-ADD:0253613,10.29,S(C)(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)N\N=C\c(cc2)ccc2OCC,0.0
16256,CO-ADD:0250237,10.29,c1(cc(Br)cc(\C=N\c(cc2)ccc2[N+](=O)[O-])c1O)[N+](=O)[O-],0.0
16257,CO-ADD:0250044,10.29,n1(nnc(C(OCC)=O)c1CSC#N)c2nonc2N,0.0
16258,CO-ADD:0255435,10.29,[N+](=O)([O-])c1cccc(c1C)C(=O)Nc2ccc(cc2Br)C,0.0
16259,CO-ADD:0257127,10.29,c1(NC(=O)C(CC)Sc(nnc(c23)c4c(cccc4)[nH]2)n3)sc(c5c1C(OCC)=O)CCCC5,0.0
16260,CO-ADD:0253403,10.29,c1(C(OCC)=O)c(cc(cc2)OC(C)=O)c2n(Cc3ccccc3)c1c4ccccc4,0.0
16261,CO-ADD:0256470,10.29,C1(C)(C)C(CCC1(C)C(O)=O)C(=O)Nc2ccccc2C(OC)=O,0.0
16262,CO-ADD:0250530,10.29,C(C#N)(=C(c(cc1)ccc1N(C)C)N=C(N2C)SC)C2=O,0.0
16263,CO-ADD:0250040,10.29,c1(C(OCC)=O)c(cc(O)cc2)c2n(c3ccccc3)c1CN(CC4)CCN4c5ccccc5,0.0
16264,CO-ADD:0256939,10.29,c1(c(C)nn(c2ccccc2)c1O)C(C3CC=C(C=C3)CC=C)c4c(C)nn(c5ccccc5)c4O,0.0
16265,CO-ADD:0254945,10.29,N(c1ccccc1OC)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
16266,CO-ADD:0247825,10.28,C1(c2ccco2)=N\C(\C(=O)O1)=C\c(cc3)ccc3N(C)C,0.0
16267,CO-ADD:0254405,10.28,c1(C(O)=O)c2c([nH]n1)cccc2,0.0
16268,CO-ADD:0248073,10.28,C(=O)(Nc(cc(cc1C(O)=O)C(O)=O)c1)c(cc(cc2C(=O)Nc(cc(cc3C(O)=O)C(O)=O)c3)NC(=O)C(C)(C)C)c2,0.0
16269,CO-ADD:0252712,10.28,C1(C(N\N=C\c2cccc(OC)c2)NC(c3ccccc3)=O)=NNC(=O)c(cccc4)c14,0.0
16270,CO-ADD:0249661,10.28,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc(c2[N+](=O)[O-])N3CCC(CC3)C)c2,0.0
16271,CO-ADD:0249090,10.28,[C@]12(\C(\C)=N\OC(C)=O)C(C1)CC(C(C34)CC=C(C[C@H](CC5)OC(C)=O)[C@@]35C)[C@]2(C)CC4,0.0
16272,CO-ADD:0256817,10.28,c1(OC(=O)C=C2C)c2ccc(OCC)c1C,0.0
16273,CO-ADD:0256834,10.28,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C(/C)\c2cccc(Br)c2)c3ccccc3[N+](=O)[O-],0.0
16274,CO-ADD:0253222,10.28,c12c(nnc(SC(CC)C(=O)Nc3sc(c4c3C(OCC)=O)CCCC4)n1)c5c(cccc5)n2CC,0.0
16275,CO-ADD:0253440,10.28,N1(c2ccc(cc2)Br)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4c5ccccc5,0.0
16276,CO-ADD:0249991,10.28,c12c(nnc(SCC(=O)Nc(cccc3C(F)(F)F)c3)n1)c4c(cccc4)n2CCC,0.0
16277,CO-ADD:0250528,10.28,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCc(cc5)ccc5Br)c3,0.0
16278,CO-ADD:0256471,10.28,c1(ccoc1C)C(=O)NC(CCSC)C(O)=O,0.0
16279,CO-ADD:0256328,10.28,C(C#N)(C1c(cc2)ccc2N(CC)CC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
16280,CO-ADD:0255413,10.28,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc(n4c5ccc(c(Cl)c5)Cl)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
16281,CO-ADD:0255407,10.28,c1(Nc(cc2)ccc2F)sc(c3n1)CCCC3,0.0
16282,CO-ADD:0255735,10.28,N1(C(Cc(cc2)ccc2NC(C)=O)C(OCC)=O)C(=O)c(c3C1=O)cccc3,0.0
16283,CO-ADD:0250140,10.28,C(=O)(N\N=C\c1c(cccc1Cl)Cl)C(=O)NC2CCCCC2,0.0
16284,CO-ADD:0256424,10.28,N1(CC)C(=S)NN=C1c2ccc(cc2)C,0.0
16285,CO-ADD:0250076,10.28,s1c(N)nnc1CC(=O)N\N=C\c2ccccc2C,0.0
16286,CO-ADD:0250036,10.28,c(C(OCC)=O)(c(cc(O)c(c1)Br)c1n2Cc3ccccc3)c2CN(CC4)CCN4C,0.0
16287,CO-ADD:0250062,10.28,C(=C/c(cc1)cc(c1OC(=O)c2cc(F)c(cc2Cl)F)OC)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
16288,CO-ADD:0256980,10.28,S(=O)(=O)(c1ccc(cc1)C)N(CCCC2C(NN)=O)C2,0.0
16289,CO-ADD:0256202,10.28,n1(Cc2ccccc2)c(cccc3)c3c(SC)c1CC(=O)NC(C)(C)CO,0.0
16290,CO-ADD:0250107,10.28,C(c1ccccc1)(=O)NC(CCSC)C(=O)OCC(=O)NC(C)c2ccccc2,0.0
16291,CO-ADD:0247592,10.27,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n1,0.0
16292,CO-ADD:0247600,10.27,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
16293,CO-ADD:0254454,10.27,S(=O)(=O)(c1ccc(cc1)C)N(C)\N=C(/C)\C(=N/O)\C(OCC)=O,0.0
16294,CO-ADD:0249518,10.27,n1(nnc(C(=O)N\N=C\c2cccc(I)c2)c1CN(CC)CC)c3nonc3N,0.0
16295,CO-ADD:0252497,10.27,c1(nnc(CC)s1)NC(=O)C(C)(C)C,0.0
16296,CO-ADD:0252806,10.27,N1(CNc(cccc2C(F)(F)F)c2)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
16297,CO-ADD:0250521,10.27,N1(CNc(cc2)ccc2C)N=C(OC1=S)c3ccc(cc3)C,0.0
16298,CO-ADD:0250432,10.27,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCc5c(cccc5F)Cl,0.0
16299,CO-ADD:0250177,10.27,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(=O)NCc(cc3)ccc3OC,0.0
16300,CO-ADD:0250353,10.27,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)NC(C)C,0.0
16301,CO-ADD:0253597,10.27,c(cc(cc1C(=O)Nc2ccccc2)[N+](=O)[O-])([N+](=O)[O-])c1Nc(cc3)ccc3Oc4ccccc4,0.0
16302,CO-ADD:0254079,10.27,n(c(cc1)c([nH]2)cc1C(=O)N\N=C\c(cc3)ccc3O)c2C,0.0
16303,CO-ADD:0253162,10.27,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)NC2CCCCCC2)Cl)c1,0.0
16304,CO-ADD:0253290,10.27,C1(=O)OC2(C(=C)N1CC)CCCCC2,0.0
16305,CO-ADD:0253467,10.27,c1(C#N)c(cccc2)c2n(C)c1COc3cccc(cccc4)c34,0.0
16306,CO-ADD:0250133,10.27,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(cc3)OCCCCCCC)c4c(C)nn(c5ccccc5)c4O,0.0
16307,CO-ADD:0256540,10.27,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
16308,CO-ADD:0253951,10.27,c1(c2ccccc2O)cc(c3ccccc3)nc(N\N=C\c(cc4)ccc4F)n1.CC(=O)O,0.0
16309,CO-ADD:0255388,10.27,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc(c5Br)OC)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
16310,CO-ADD:0255981,10.26,S(=O)(=O)(c1ccc(cc1)OC)Nc(cc2)ccc2I,0.0
16311,CO-ADD:0253942,10.26,[N+](=O)([O-])c1c(C)cc(c(F)c1)Oc(ccc(c2F)F)c2,0.0
16312,CO-ADD:0253397,10.26,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CCc2ccccc2)CC(=O)N\N=C\c3ccccc3C(F)(F)F,0.0
16313,CO-ADD:0256376,10.26,n1(\N=C\c(ccc(c2OC)OCc3ccc(cc3Cl)Cl)c2)nnnc1N,0.0
16314,CO-ADD:0247830,10.26,S(=O)(=O)(c1cccc(c1)C(=O)NCc2ccco2)N(CC3)CCO3,0.0
16315,CO-ADD:0254410,10.26,N1(c2c(cccc2)C=Cc(ccc(c3)NC(OCC)=O)c13)C(=O)CN(CC)CC,0.0
16316,CO-ADD:0248204,10.26,N1(N=C(CC1(O)c2ccc(cc2)Cl)C)C(=O)c3ccccc3F,0.0
16317,CO-ADD:0252426,10.26,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c(ccc(c45)OCO4)c5)C2,0.0
16318,CO-ADD:0252332,10.26,C(=N\N=C\c1cccc(CC=C)c1O)(/c2c(N3)cccc2)\C3=O,0.0
16319,CO-ADD:0247510,10.26,c1(ccc(C(=O)Nc2cccc(cccc3)c23)o1)C(c4ccccc4)=O,0.0
16320,CO-ADD:0247496,10.26,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C(/C)\c4ccc(cc4)NC(C)=O)C2,0.0
16321,CO-ADD:0248903,10.26,N1(OCC(=O)C(C)(C)C)C(=O)c(c2C1=O)cccc2,0.0
16322,CO-ADD:0250309,10.26,C(C(OC)=O)(C(c(cc1)ccc1[N+](=O)[O-])C2=C(N3c4ccccc4F)CCCC2=O)=C3N,0.0
16323,CO-ADD:0250130,10.26,n12c(ccc(Br)c1)nc(C)c2C(=O)N\N=C\c(cc3)ccc3F,0.0
16324,CO-ADD:0257164,10.26,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cc(Cl)cc(Cl)c4OCc5ccc(cc5Cl)Cl,0.0
16325,CO-ADD:0256212,10.26,c1(nc(C)cc(C)n1)N\C(\N)=N\OCc2ccccc2,0.0
16326,CO-ADD:0256165,10.26,S(=O)(=O)(c(cccc1c2nnc(c3ccccc3)o2)c1)N4CCCCCC4,0.0
16327,CO-ADD:0256182,10.26,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4OC)cc(c4OC)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
16328,CO-ADD:0249931,10.26,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccco3,0.0
16329,CO-ADD:0257032,10.26,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc(OC)c(c4[N+](=O)[O-])O)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
16330,CO-ADD:0253283,10.26,C1(OCC(C=CC2C(O)(C(F)(F)F)C(F)(F)F)(O2)O1)(C(F)(F)F)C(F)(F)F,0.0
16331,CO-ADD:0255670,10.25,n1(c2ccccc2)nnnc1SCC#N,0.0
16332,CO-ADD:0255918,10.25,C1(C(=O)OC2CCCCCC2)=C(C)NC(=O)NC1c3ccc(cc3)CC,0.0
16333,CO-ADD:0250283,10.25,n1c2c([nH]c1c3ccc(cc3)NC(Cc4ccccc4)=O)cc5c(cccc5)c2,0.0
16334,CO-ADD:0256489,10.25,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2OCC)cc(c2OCC(OCC)=O)Br,0.0
16335,CO-ADD:0256154,10.25,c1(C(OCC)=O)sc(nc1c2ccccc2)Nc3c(Cl)ccc(Cl)c3,0.0
16336,CO-ADD:0256164,10.25,c1(NC(=O)C(F)(F)F)sc(c(C)c1C(OC)=O)C(OC)=O,0.0
16337,CO-ADD:0253441,10.25,N1(CCOC(=O)c2ccccc2C(O)=O)C(=O)c(c(c3)C1=O)cc(c3C(N4CCOC(=O)c5ccccc5C(O)=O)=O)C4=O,0.0
16338,CO-ADD:0250267,10.25,C1(=O)OC2(C(=C)N1C3CCCCC3)CCCCC2,0.0
16339,CO-ADD:0256656,10.25,C1(C(OCCC#N)=O)=C(C)NC(NC1c2ccc(c(OCC)c2)O)=O,0.0
16340,CO-ADD:0252290,10.25,S(=O)(=O)(CCSC(C)(C)C)CCSC(C)(C)C,0.0
16341,CO-ADD:0252992,10.25,c1(NC(COC(CSc2nc(C)cc(C)n2)=O)=O)sc(c(ccc3C(OCC)=O)n1)c3,0.0
16342,CO-ADD:0252997,10.25,C(c1ccccc1)(=O)NC(CSCc2ccccc2)C(=O)OCC(=O)NC(C)c3ccccc3,0.0
16343,CO-ADD:0252685,10.25,C12(CC(CC3C1)CC(C3)C2)C(=O)N\N=C(/Cn(c4)ncn4)\c5ccc(cc5F)F,0.0
16344,CO-ADD:0254518,10.25,N1(N=C(CC1(O)C(F)(F)F)C)C(=O)c2ccccc2N,0.0
16345,CO-ADD:0249375,10.25,C(=O)(c1ccccc1Br)Nc2c(CC)cccc2C,0.0
16346,CO-ADD:0247456,10.25,c12n(CCN=C1CCc3ccco3)ccc2.C(O)(=O)\C=C\C(O)=O,0.0
16347,CO-ADD:0252782,10.25,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cc4)ccc4OC,0.0
16348,CO-ADD:0253493,10.25,c1(cc(c2ccccn2)nn3)c3c(c4C1=O)cccc4,0.0
16349,CO-ADD:0253583,10.25,c12n(ncn1)C(C=C(C)N2Cc3ccccc3)=O,0.0
16350,CO-ADD:0255367,10.25,c1(sc(cc1C(OCC)=O)CC)NC(=O)c2cccs2,0.0
16351,CO-ADD:0254092,10.25,S(C)(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
16352,CO-ADD:0254077,10.25,C(C(OC)=O)(C1c2ccc(cc2)Cl)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
16353,CO-ADD:0328163,10.25,C(=O)(Nc(ccc(c1Br)C)c1)CCN2CCCCC2.Cl,0.0
16354,CO-ADD:0326584,10.25,c(nnc1SCC(=O)Nc2cccc(Cl)c2Cl)(nc(NCC)nc3NCC)n13,0.0
16355,CO-ADD:0318896,10.25,[N+](=O)([O-])c(cc1)cc(c1C(=O)NCC(OC)=O)SCc2ccccc2,0.0
16356,CO-ADD:0233609,10.25,c1(\C=N\Cc2ccccc2)cc(Br)ccc1O,0.0
16357,CO-ADD:0234669,10.25,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
16358,CO-ADD:0234664,10.25,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)Br)OC(=O)c3cccc(Br)c3,0.0
16359,CO-ADD:0231665,10.25,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C/c(ccc2c(cccc3[N+](=O)[O-])c3)o2)nc4Nc(cc5)ccc5OC)n4,0.0
16360,CO-ADD:0231647,10.25,c1(C(=O)N\N=C\c2ccc(cc2O)O)nn(c(c3ccccc3)n1)c4ccccc4,0.0
16361,CO-ADD:0227747,10.25,S(=O)(=O)(N(CC1)CCO1)c2c(OC)ccc(c2)C(=O)Nc(cc3)ccc3OC,0.0
16362,CO-ADD:0227442,10.25,c1(NCC(=O)N\N=C\c(ccc(c2OC)OC)c2)c(Br)cc(cc1Br)Br,0.0
16363,CO-ADD:0229646,10.25,o(c(c1ccc(cc1)C)nn2)c2c3ccc(cc3)C,0.0
16364,CO-ADD:0231799,10.25,c1(OCC(=O)N\N=C\c(ccc(c23)OCO2)c3)c(OC)cc(cc1Br)Br,0.0
16365,CO-ADD:0229629,10.25,n1(c2cccc(C)c2C)c(c3ccccc3)cc4c1CC(C)(C)CC4=O,0.0
16366,CO-ADD:0227796,10.25,c1(SCC(O)=O)[nH]c(c2n1)cccc2,0.0
16367,CO-ADD:0329005,10.25,C1(NC(C(C(N2Cc3ccccc3)=O)C1C2=O)C)(c4c(N5CC(=O)N(CC)CC)cccc4)C5=O,0.0
16368,CO-ADD:0328885,10.25,C1(=S)N(NC(=O)c2cccc(OC)c2)C(C(=O)N1c3ccc(cc3)Cl)CC(=O)Nc(cc4)ccc4OCCC,0.0
16369,CO-ADD:0327191,10.25,n1(c2ccccc2)c(CNc(ccc(c3Cl)Cl)c3)nnc1SCC(=O)c4ccc(cc4)Br,0.0
16370,CO-ADD:0326331,10.25,S(=O)(=O)(c1ccc(cc1)C)OC(CC2(C)C)CC(N2OC(=O)c(cc3)ccc3n4cnnn4)(C)C,0.0
16371,CO-ADD:0326003,10.24,N1(Cc(cc2)ccc2C(C)(C)C)N=Cc(c3C1=O)cccc3,0.0
16372,CO-ADD:0231186,10.24,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\c(ccc(c3C)C)c3,0.0
16373,CO-ADD:0233037,10.24,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2ccccn2)N3CCCCCC3)c1,0.0
16374,CO-ADD:0233003,10.24,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(c3ccccc3)=O)sc(c4n1)cccc4,0.0
16375,CO-ADD:0234398,10.24,c1(NC(=O)c(ccc(c2[N+](=O)[O-])Oc(cc3)ccc3Cl)c2)sc(c4c1C(OCC)=O)CCCC4,0.0
16376,CO-ADD:0231834,10.24,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
16377,CO-ADD:0236842,10.24,N1(CCOc2ccccc2)C(=O)c(cc3)c(c(c4)C1=O)c(c3C5=O)c(c4)C(N5CCOc6ccccc6)=O,0.0
16378,CO-ADD:0238631,10.24,CC1=C(C(C(C)=C1C)C)C.NC2=N[Ir@@](C)(N=C(N(C)C)N2)Cl.[Cl-],0.0
16379,CO-ADD:0326335,10.24,c12c(ccc(CNC(COc(cc3)ccc3CC)=O)c1)OCO2,0.0
16380,CO-ADD:0231248,10.24,c1(ccc(cc1OC)OC)\C=N\c(cc2)ccc2O,0.0
16381,CO-ADD:0327178,10.24,n12c(c(c(c3ccc(cc3)Cl)c1C(=S)Nc(cc4)ccc4CC)CCCC5)n5c(CNc(cc6)ccc6Cl)n2,0.0
16382,CO-ADD:0326576,10.24,c1(C(C)=O)c(C)n(c(C)c1C(C)=O)C,0.0
16383,CO-ADD:0229598,10.24,C(CCC1CCCC1)(=O)Nc(cc2)ccc2Cc(cc3)ccn3,0.0
16384,CO-ADD:0329878,10.24,N1(CCc(c2c([nH]3)cccc2)c3C)C(=O)C(C(C4)C1=O)CC=C4,0.0
16385,CO-ADD:0234267,10.24,c1(c(ccc(c2Cl)OC)c2)ccc(C=O)o1,0.0
16386,CO-ADD:0318688,10.24,C(OC)(F)(C(F)(F)F)C(=O)Nc(ccc(c1C2=O)C(N2)=O)c1,0.0
16387,CO-ADD:0320458,10.24,c12c(CCNC1c3ccccc3F)cc(c(OCC)c2)OCC,0.0
16388,CO-ADD:0234470,10.24,n1c(Nc(ccc(c2Cl)C)c2)scc1c3cc(C)ccc3C.Br,0.0
16389,CO-ADD:0234502,10.24,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc2c3ccc(cc3)Br)o2,0.0
16390,CO-ADD:0227776,10.24,N(=C(/C)\c1ccc(cc1)NC(C)=O)/NC(=O)CC2(CCCCC2)O,0.0
16391,CO-ADD:0229319,10.24,N1(C(=O)c(c2C1=O)ccc(c2)C3=Nc(c4C(=O)O3)cccc4)N5C(=O)c6c(cccc6)C5=O,0.0
16392,CO-ADD:0229354,10.24,c1(SCC=C)sc2c(ccc(c2)\N=C\c(ccc3I)o3)n1,0.0
16393,CO-ADD:0229463,10.24,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C/Nc3cccc(Br)c3,0.0
16394,CO-ADD:0227984,10.24,[N+](=O)([O-])c1cccc(c1)\C=N\NC(COc2ccc(cc2OC)Br)=O,0.0
16395,CO-ADD:0229380,10.24,N(/NC(=O)c1ccc(cc1)Br)=C(/C)\c2ccco2,0.0
16396,CO-ADD:0327423,10.24,N1(c2ccc(cc2)F)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc(cc4)ccc4Cl,0.0
16397,CO-ADD:0327494,10.24,n1c(O)cc(nc1SCC(NCCC(C2)(C3)CC(C4)CC2CC34)=O)CCC,0.0
16398,CO-ADD:0326588,10.24,N1(N)C(SCC(=O)Nc(ccc(c2Cl)Cl)c2)=NN=C(C)C1=O,0.0
16399,CO-ADD:0232843,10.24,S1(=O)(=O)c(cccc2)c2C(Nc3ccccc3C(O)=O)=N1,0.0
16400,CO-ADD:0231136,10.24,C(CCNc(cc1)ccc1I)(=O)c2ccc(cc2)C,0.0
16401,CO-ADD:0233045,10.23,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc3ccccn3,0.0
16402,CO-ADD:0232996,10.23,C(=O)(Nc(cc1)ccc1OCC)c2cccs2,0.0
16404,CO-ADD:0236477,10.23,n(c1C)(nnc1C(=O)N\N=C\c(cc2)ccc2OCC)c3nonc3N,0.0
16405,CO-ADD:0234460,10.23,N(c1cccc(OC)c1)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
16406,CO-ADD:0326056,10.23,N1(c2ccccc2Cl)C(=O)\C(\SC1=N)=C\c(cc3)ccc3N(CC4)CCO4,0.0
16407,CO-ADD:0227862,10.23,c1(coc(ccc(OC)c2)c12)C(=O)c3cc(OC)ccc3OC,0.0
16408,CO-ADD:0227827,10.23,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2OC)OC)CC(=O)N(CC3)CCN3c4ccccc4,0.0
16409,CO-ADD:0227323,10.23,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2ccc(cc2OC)Br)=O)c3ccccc3Cl,0.0
16410,CO-ADD:0326521,10.23,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccccc4F,0.0
16411,CO-ADD:0231334,10.23,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Cl)CC(=O)N\N=C\c(cc3)ccc3OCc4ccccc4Cl,0.0
16412,CO-ADD:0328651,10.23,S(=O)(=O)(c(cc1)ccc1S(=O)(=O)Nc2ccc(c(cccn3)c23)Br)N(CC4)CCO4,0.0
16413,CO-ADD:0328787,10.23,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc3sc(c4c3C#N)CCCC4,0.0
16414,CO-ADD:0328802,10.23,c12c(ccc(C(=O)NC3CCCCC3)c1NCCO)C(=O)c(c4C2=O)cccc4,0.0
16415,CO-ADD:0233622,10.23,n1c[nH]nc1\N=C\c2cc(Cl)ccc2O,0.0
16416,CO-ADD:0229825,10.23,C1(=S)NC(C)(C)C=C(C)N1c2ccc(c(C)c2)Br,0.0
16417,CO-ADD:0318910,10.23,n12c(S\C(=C/c(cc3)ccc3OCc4ccccc4F)\C1=O)nc(cc(C)c(C)c5)c25,0.0
16418,CO-ADD:0229789,10.23,c1(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)sc3c(ccc(c3)\N=C\c(cc4)ccc4F)n1,0.0
16419,CO-ADD:0229000,10.23,C(c1ccccc1)(c2ccccc2)(c3ccccc3)Nc(cc4)ccc4C,0.0
16420,CO-ADD:0231372,10.23,c1(N2CCCC2)nc(N\N=C/c3ccccc3Br)nc(Nc4ccccc4)n1,0.0
16421,CO-ADD:0229332,10.23,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2CC)NCC(C)O,0.0
16422,CO-ADD:0229868,10.23,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
16423,CO-ADD:0229313,10.23,[N+](=O)([O-])c1ccccc1NC(=O)c(cccc2C(=O)Nc3ccccc3[N+](=O)[O-])c2,0.0
16424,CO-ADD:0229377,10.23,c1(CSc(cc2)ccc2C(C)C)c(cccc3)n3cc1c4ccccc4,0.0
16425,CO-ADD:0229505,10.23,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc3ccccc3C,0.0
16426,CO-ADD:0326004,10.23,N1(Cc2cccc(Br)c2)N=Cc(c3C1=O)cccc3,0.0
16427,CO-ADD:0325944,10.23,N1C(CCC(Cc(cc2)ccc2OCC)C1=O)=O,0.0
16428,CO-ADD:0325984,10.23,n1(c2c(nc1SCC(OCC)=O)cccc2)S(=O)(=O)c3ccc(cc3)C,0.0
16429,CO-ADD:0327509,10.23,c(NC(=O)Cn(nnc1c2ccccc2F)n1)(c(C(N)=O)nn3c4ccccc4)n3,0.0
16430,CO-ADD:0327510,10.23,n1(CC=C)c(SCC(=O)Nc2ccccc2F)nnc1c3ccco3,0.0
16431,CO-ADD:0328759,10.23,N(Cc1ccccc1)(C(=O)C(C23)C(c4cc(Cl)cc(Cl)c4O)NC2(CC(C)C)C(O)=O)C3=O,0.0
16432,CO-ADD:0327399,10.23,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(NCCCN4CCCC4=O)=O)n2,0.0
16433,CO-ADD:0326788,10.23,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3C4CCCCC4)c5ccc(cc5)Cl,0.0
16434,CO-ADD:0236590,10.23,C12(c3c(NC1=O)ccc(c3)[N+](=O)[O-])C(C#N)=C(N)OC(C)=C2C(OCC=C)=O,0.0
16435,CO-ADD:0234625,10.23,c1(oc(c2n1)ccc(c2)\N=C\c(cccc3[N+](=O)[O-])c3O)c4c(O)cc(c5c4)cccc5,0.0
16436,CO-ADD:0231167,10.23,C(/C(OC)=O)(\C(OC)=O)=N\Nc1ccccc1,0.0
16437,CO-ADD:0236209,10.22,C12=C(c3c(cccc3)OC1=O)OC(=C(C(OCCOC)=O)C24c5c(NC4=O)cccc5)N,0.0
16438,CO-ADD:0234901,10.22,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccco2)=O)c3ccccc3Cl,0.0
16439,CO-ADD:0234745,10.22,c1(C#N)c(c2ccccc2)cc(nc1Cl)c3ccccc3,0.0
16440,CO-ADD:0233714,10.22,c1([nH]nc(C(CC2)CCN2C([C@H](CCC)N)=O)c1)C(F)(F)F.Cl,0.0
16441,CO-ADD:0227677,10.22,c1(N(CC2)CCO2)nc(OC)nc(N\N=C(/C)\c3c(C)non3)n1,0.0
16442,CO-ADD:0233559,10.22,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccc(cc2Cl)Cl)=O)c3ccco3,0.0
16443,CO-ADD:0236281,10.22,c1(c2ccc(cc2)\N=C\c(cc3)ccc3C(C)C)sc4c(ccc(C)c4)n1,0.0
16444,CO-ADD:0231320,10.22,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2Cl)c3cccc(cccc4)c34,0.0
16445,CO-ADD:0326577,10.22,n(c1ccccc1N)(c(C)c(c2C(C)=O)C(C)=O)c2C,0.0
16446,CO-ADD:0228005,10.22,c1(C(=O)N\N=C\c2cc(Br)ccc2O)nn(c(c3ccccc3)n1)c4ccccc4,0.0
16447,CO-ADD:0231268,10.22,C(=O)(N\N=C(/C)\CC(=O)NC1CCCCC1)C(=O)Nc(cc2)ccc2CC,0.0
16448,CO-ADD:0326017,10.22,c1(cc(cccc2)c2nc1N)C(=O)Nc3cccc(Cl)c3,0.0
16449,CO-ADD:0227318,10.22,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3ccc(cc3O)O,0.0
16450,CO-ADD:0328957,10.22,c12c(ccc(CNC(CCCOc3ccc(cc3Cl)Cl)=O)c1)OCO2,0.0
16451,CO-ADD:0326838,10.22,c(C(=O)Nc(cc1)ccc1OC(F)(F)F)(c2N)sc3c2cc(c(CC)n3)C,0.0
16452,CO-ADD:0328994,10.22,N1(c2ccccc2)N=NN(CCSc3nnnn3c4ccccc4)C1=O,0.0
16453,CO-ADD:0234122,10.22,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\Nc2sc(c3n2)cccc3)Br,0.0
16454,CO-ADD:0233322,10.22,N1C(=O)NC(c2ccc(cc2)OCC)C1=O,0.0
16455,CO-ADD:0234377,10.22,n(c(cccc1)c12)c(c3ccc(cc3)OC(=O)c4cccc(OC)c4)c(n2)c5ccccc5,0.0
16456,CO-ADD:0233491,10.22,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)N(CC(C)C)CC(C)C)c1,0.0
16457,CO-ADD:0236306,10.22,N1(c2cccc(C)c2)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
16458,CO-ADD:0234640,10.22,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
16459,CO-ADD:0231356,10.22,C(=O)(NC1CCCC1)C(NCCCO)=O,0.0
16460,CO-ADD:0233331,10.22,N1C(=O)NC(c2ccc(cc2)OC(C)C)C1=O,0.0
16461,CO-ADD:0236048,10.22,N1(CC(OCC(=O)Nc2sc(c3c2C#N)CCCC3)=O)C(=O)c4c(cccc4)C1=O,0.0
16462,CO-ADD:0234417,10.22,N1(\N=C(/CC2)\c3c(C2)non3)C(=S)SC(C)(C)C1N(O)C(=O)NC4CCCCC4,0.0
16463,CO-ADD:0234161,10.22,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c4ccccc4Cl,0.0
16464,CO-ADD:0236431,10.22,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc(ccc(c3Cl)F)c3,0.0
16465,CO-ADD:0325992,10.22,c12c(n(c(Sc3nn(cn3)Cc(ccc(c4[N+](=O)[O-])OC)c4)n1)C)C(N(C)C(=O)N2C)=O,0.0
16466,CO-ADD:0243652,10.21,COc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)cc(O3)c1OC3,0.0
16467,CO-ADD:0328687,10.21,N1(c2c(C(CN(C)CC3)C13)cc(C)cc2)S(=O)(=O)c4ccc(cc4)Oc(cc5)ccc5[N+](=O)[O-],0.0
16468,CO-ADD:0243073,10.21,C(C(OCC)=O)(C1)=NOC1Cc(cc(OC)c(c23)OCO2)c3OC,0.0
16469,CO-ADD:0328703,10.21,n1c(c2ccc(cc2)C)onc1c3ccc(Br)o3,0.0
16470,CO-ADD:0243858,10.21,C1=C(C)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)Nc(cc4)cc(Cl)c4)=C1O,0.0
16471,CO-ADD:0236812,10.21,C(=C\c(ccc(c1OC)OCCCCCC)c1)(/C2=O)\N=C(O2)C,0.0
16472,CO-ADD:0231175,10.21,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c2ccc(cc2OC)O,0.0
16473,CO-ADD:0233063,10.21,S(=O)(=O)(c1ccc(cc1)C)N(CCN2C(=O)CN3CCCC3)C2,0.0
16474,CO-ADD:0236619,10.21,c1(C#N)c(SCC(OC)=O)nsc1SCC(OC)=O,0.0
16475,CO-ADD:0227936,10.21,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c4cc(C)cc(Br)c4O,0.0
16476,CO-ADD:0229858,10.21,N(c(ccc(c1)C)c12)=C(c3ccc(cc3)Oc(cc4)ccc4[N+](=O)[O-])OC2=O,0.0
16477,CO-ADD:0229364,10.21,P(O)(=O)(C(NC)c1ccccc1)C(NC)c2ccccc2,0.0
16478,CO-ADD:0236051,10.21,C12(CCC1)CC2C(=O)N\N=C\c3c(C)cc(cc3C)C,0.0
16479,CO-ADD:0233307,10.21,c1(sccn1)NC(COc2cccc(C)c2)=O,0.0
16480,CO-ADD:0234094,10.21,C(CCCCC(NN)=O)(NN)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
16481,CO-ADD:0234803,10.21,c1(scc(c2ccccc2)n1)NC(COc(ccc(c34)cccc3)c4)=O,0.0
16482,CO-ADD:0234790,10.2,N1(C(=O)CCC1=O)\C(\C(C)=O)=C(\C)/O,0.0
16483,CO-ADD:0229075,10.2,[N+](=O)([O-])c1ccccc1COc2ccccc2\C=N\NC(=O)c(cccc3NC(=O)c4ccc(cc4)OC)c3,0.0
16484,CO-ADD:0227275,10.2,[N+](=O)([O-])c1cccc(\C=N\NC(COc2ccc(cc2OC)Br)=O)c1O,0.0
16485,CO-ADD:0231284,10.2,N(/c(cc1)ccc1O)=C\c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
16486,CO-ADD:0227170,10.2,C(c(cc1)ccc1\C=N\c(cc2)ccc2C)#Cc3ccccc3,0.0
16487,CO-ADD:0227200,10.2,c1(ccccc1Br)C(NCCCN2CCCC2)=O,0.0
16488,CO-ADD:0231263,10.2,S(=O)(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\NC(=O)c3cccc(C)c3,0.0
16489,CO-ADD:0328973,10.2,C1(=Cc(c2)c(OC1=O)ccc2[N+](=O)[O-])C(=O)N(CC3)CCN3c4ccc(c(Cl)c4)C,0.0
16490,CO-ADD:0327907,10.2,S(=O)(=O)(c1ccc(cc1)Cl)N(C)c(cc2)ccc2C(O)=O,0.0
16491,CO-ADD:0325997,10.2,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccccc5[N+](=O)[O-])C(OC)=O,0.0
16492,CO-ADD:0233731,10.2,c1([nH]nc(C(CC2)CCN2C(=O)[C@@H](N)CC(C)C)c1)C(F)(F)F.Cl,0.0
16493,CO-ADD:0227638,10.2,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I)N(CCC)Cc3ccccc3,0.0
16494,CO-ADD:0227641,10.2,C(C(OCC)=O)(=C1C)\C(=C\c(ccc(c2OC)OC)c2)\C(N1c3ccc(cc3)OC)=O,0.0
16495,CO-ADD:0233715,10.2,c1([nH]nc(C(CC2)CCN2C(=O)[C@@H](CCCN3)C3)c1)C(F)(F)F.Cl,0.0
16496,CO-ADD:0229837,10.2,S1(=O)(=O)c(cccc2)c2C(SCC(OC)=O)=N1,0.0
16497,CO-ADD:0233763,10.2,N1(CCC[C@@H](C1)c(ccn2)o2)C(=O)c3ccc(cc3)OCCNC.Cl,0.0
16498,CO-ADD:0318838,10.2,c1(NC(=O)c(cc2)ccc2C(C)(C)C)sc(c(C)c1C(OC)=O)C,0.0
16499,CO-ADD:0236123,10.2,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3cccc(Cl)c3Cl)c4nonc4N,0.0
16500,CO-ADD:0236074,10.19,c1(\C=N\NC(=O)c2ccccc2C)c3c([nH]c1C)cccc3,0.0
16501,CO-ADD:0318927,10.19,c(C(O)=O)(cc1c(n2)ccc(cccc3)c13)c2c4ccc(cc4)OCc5ccccc5F,0.0
16502,CO-ADD:0320474,10.19,S(c1ccccc1)(=O)(=O)N(Cc(cc2)ccc2Br)c3cc(C)ccc3C,0.0
16503,CO-ADD:0236534,10.19,C1(C(OCCSCC)=O)=C(C)NC(=O)NC1c(cc2)ccc2N(C)C,0.0
16504,CO-ADD:0243882,10.19,c(cc1)(OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)NCc(cc(OCO4)c45)cc5)=C6O)c6cc1,0.0
16505,CO-ADD:0243875,10.19,C1=C(C)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)Nc(cc4[N+](=O)[O-])ccc4F)=C1O,0.0
16506,CO-ADD:0243627,10.19,c(OC)(c(OC)c1OC)c(OC)cc1C(=O)c(ccc(OC)c2O)c2,0.0
16507,CO-ADD:0243123,10.19,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c(c3OC)c(CC(C)Cl)c(c(OCO4)c34)OC,0.0
16508,CO-ADD:0243777,10.19,O1CCCC1CN2C(=O)C(O)=C(C2c(cc(OC)c3c4OCO3)c4)C(=O)c5cc(OC)c(OC)cc5,0.0
16509,CO-ADD:0243505,10.19,c(OC1)(c(OC)cc2c(nc(c3cc(O)c(OC)cc3)o4)n4)c(O1)c2OC,0.0
16510,CO-ADD:0234616,10.19,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(COc3c(C)cccc3C)=O)Br,0.0
16511,CO-ADD:0236720,10.19,n1(nnc(C(OCC)=O)c1CN2CCCC2)c3nonc3N,0.0
16512,CO-ADD:0236643,10.19,c1(C#N)c(SCc(cc2)ccc2F)nsc1SCc(cc3)ccc3F,0.0
16513,CO-ADD:0229801,10.19,N1(CC(O2)=Nc(c3C2=O)cccc3)C(=O)c(c4C1=O)cccc4,0.0
16514,CO-ADD:0229385,10.19,c1(oc(c2n1)cccc2)c3cc(ccc3O)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
16515,CO-ADD:0234785,10.19,C1(C(C(=O)C=C(Nc2ccccc2)N1c3nc(C)cc(C)n3)=C(C)N(C4=O)c5ccccc5)=N4,0.0
16516,CO-ADD:0236648,10.19,c1(c2ccccc2Cl)c(C#N)c(N)nc(SCC(=O)NCc3ccccc3)c1C#N,0.0
16517,CO-ADD:0236188,10.19,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCN3CCO)C1=O,0.0
16518,CO-ADD:0236320,10.19,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCCc3ccccc3)c4ccccc4,0.0
16519,CO-ADD:0233428,10.19,c1([nH]c(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c(cc(Br)cc4Cl)c4O,0.0
16520,CO-ADD:0234318,10.19,N(/NC(=O)Cc1cccc(cccc2)c12)=C(/C)\c3ccco3,0.0
16521,CO-ADD:0233173,10.19,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2S(=O)(=O)N(CC3)CCO3)N(CC4)CCO4,0.0
16522,CO-ADD:0234262,10.19,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5ccccc5Br)OC,0.0
16523,CO-ADD:0234495,10.19,N1C(c2ccc(cc2)C)Oc(c3C1=O)cccc3,0.0
16524,CO-ADD:0227909,10.19,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])C)c1)N(CCC#N)[N+](=O)[O-],0.0
16525,CO-ADD:0227254,10.19,C(NC(=S)NC1)(CCC(=C)C2C(C(C2)(C)C)C3)C1C3,0.0
16526,CO-ADD:0227877,10.19,S(NCCNc(cc1)ccc1[N+](=O)[O-])(c2ccccc2)(=O)=O,0.0
16527,CO-ADD:0229741,10.19,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc2cccc(Cl)c2)=O)O,0.0
16528,CO-ADD:0227404,10.19,C(CNc1cccc(C)c1)(=O)N\N=C\c(ccc(c2O)O)c2,0.0
16529,CO-ADD:0231201,10.19,N(=C\c(cc1)ccc1C)/NC(CCCc(ccc(c2C)OC)c2)=O,0.0
16530,CO-ADD:0328699,10.18,N12C(CSC1c3ccc(cc3)F)C(N(c4ccc(cc4)Cl)C2=S)=O,0.0
16531,CO-ADD:0329605,10.18,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3c(C)ccc(c3)[N+](=O)[O-],0.0
16532,CO-ADD:0327928,10.18,n1(c(C)c(nn1)C(OCC)=O)c2nc(OCC)nc(N3CCCCC3)n2,0.0
16533,CO-ADD:0329985,10.18,C1(=O)c(ccc(c2)[N+](=O)[O-])c2Oc(cccc3)c3N1C,0.0
16534,CO-ADD:0328162,10.18,c1(NC(=O)CCN(CC2)CCN2Cc3ccccc3)cc(on1)C.Cl.Cl,0.0
16535,CO-ADD:0328011,10.18,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)\C(\C(C)=N1)=C/NC(C)(C)C,0.0
16536,CO-ADD:0327835,10.18,C(/C(=O)C1)(\C(=O)CC1(C)C)=C(/c2ccc(cc2)O)\C(C#N)C(OC)=O,0.0
16537,CO-ADD:0229797,10.18,c1(C(OCC)=O)sc2c(CCCC2=O)c1NC(=O)c3ccc(cc3)Cl,0.0
16538,CO-ADD:0233558,10.18,n1c2c(oc1c3cccc(c3)\N=C\c(cc4)ccc4[N+](=O)[O-])cccc2C,0.0
16540,CO-ADD:0228982,10.18,C(=O)(c1ccc(cc1)C)Nc2cccc(F)c2,0.0
16541,CO-ADD:0229008,10.18,S(=O)(=O)(c1ccc(cc1)C)Nc2ncccn2,0.0
16542,CO-ADD:0227663,10.18,c1(CC(=O)Nc(cc2)ccc2C)c(Sc3ccccc3)c4c(cccc4)n1Cc5ccccc5,0.0
16543,CO-ADD:0234077,10.18,c1(NC(=O)Nc2c(F)c(F)c(c(F)c2F)F)c(F)c(F)c(c(F)c1F)F,0.0
16544,CO-ADD:0231597,10.18,c1(c2ccc(cc2)F)[nH]c3c(ccc(c3)\N=C\c(cc(Br)c(c4Br)O)c4O)n1,0.0
16545,CO-ADD:0243322,10.18,C(/c1c(OC)c(OC2)c(O2)c(OC)c1)=C\C(c3c(O)cc(OC)cc3)=O,0.0
16546,CO-ADD:0243791,10.18,c(cc1)(OC(=O)C(C(c(cc2c(OCO2)c3OC)c3)C(C(=O)Nc(ccc(F)c4)c4)O5)=C56)c6cc1,0.0
16547,CO-ADD:0243799,10.18,C(C)(=C1)OC(=O)C(C(c(c(OC)c2c(OCO2)c3OC)c3)C(C(=O)Nc(cc(OC)c(OC)c4OC)c4)O5)=C15,0.0
16548,CO-ADD:0328784,10.18,N12C(SC(C(F)(F)F)=N1)=NC(=O)\C(=C\c(cc3)ccc3OCc(cc4)ccc4F)\C2=N,0.0
16549,CO-ADD:0243543,10.18,c(C(C(C(OCC)=O)C(OCC)=O)C[N+](=O)[O-])(c1)cc(OCO2)c2c1OC,0.0
16550,CO-ADD:0328711,10.18,C(F)(F)(F)c1cccc(c1)NC(Cc(ccc(c2OCC)OCC)c2)=O,0.0
16551,CO-ADD:0234586,10.18,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(COc(ccc(c3C)C)c3)=O)Br,0.0
16552,CO-ADD:0234525,10.18,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C)Cl,0.0
16553,CO-ADD:0231462,10.18,C(c1ccccc1)(=O)Oc2cc(ccc2OC(c3ccccc3)=O)\C=N\NC(=O)c(ccc(c45)OCCO4)c5,0.0
16554,CO-ADD:0236163,10.18,c1(C#N)c(COC)cc(nc1OCC(=O)N\N=C\c(cc2)ccc2Br)C,0.0
16555,CO-ADD:0233015,10.18,C(=O)(c1cccc(C)c1)NNC(CCc2ccccc2)=O,0.0
16556,CO-ADD:0236242,10.18,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(=O)c(cc3)ccc3c4ccccc4)c5ccccc5,0.0
16557,CO-ADD:0231539,10.18,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccc(cc2Br)Cl)=O)c3cccc(F)c3,0.0
16558,CO-ADD:0236718,10.18,n(nnc1C(=O)N\N=C(/C)\c(ccc(c2Cl)Cl)c2)(c1COC)c3nonc3N,0.0
16559,CO-ADD:0234622,10.17,c1(O)c(OCC)cc(cc1I)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
16560,CO-ADD:0229048,10.17,S(=O)(=O)([O-])N(C)CC(COCC(CCl)Cl)O,0.0
16561,CO-ADD:0231635,10.17,c1(C(=O)N\N=C\c(ccc(c23)cccc2)c3)nn(c(c4ccccc4)n1)c5ccccc5,0.0
16562,CO-ADD:0233658,10.17,C(=O)(c1ccc(cc1)NC(=O)C=C)Nc(cc2)ccc2C(C)=O,0.0
16563,CO-ADD:0234207,10.17,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccccc3Br,0.0
16564,CO-ADD:0234228,10.17,c1(c(O)c(\C=N\c2ccc(cc2Cl)Cl)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
16565,CO-ADD:0227405,10.17,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c3ccccc3Cl,0.0
16566,CO-ADD:0227373,10.17,c1(O)c(OCC)cc(cc1I)\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O,0.0
16567,CO-ADD:0227357,10.17,C(=O)(CC(=O)N\N=C(/C)\CC)Nc1ccccc1Br,0.0
16568,CO-ADD:0229259,10.17,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc4c5cccc(Cl)c5)o4)\C1=O,0.0
16569,CO-ADD:0229243,10.17,C1(C)(CC2OC(CC)=O)C(C[C@@H](OC(CC)=O)[C@]1(C)C(=O)COC(CC)=O)C([C@]23F)CCC(=CC(=O)C=C4)C34C,0.0
16570,CO-ADD:0227436,10.17,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c2ccccc2,0.0
16571,CO-ADD:0329797,10.17,n1(N)c(C)nnc1SCC(=O)Nc2cccc(C)c2C,0.0
16572,CO-ADD:0330029,10.17,c1(sc(n2)c(cc3)cc(c3OC4CCCC4)OC)c2sc(c(cc5)cc(c5OC6CCCC6)OC)n1,0.0
16573,CO-ADD:0326783,10.17,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCOC)c4ccc(cc4)Cl,0.0
16574,CO-ADD:0328938,10.17,n1(CC=C)c(SCc(nc(N)nc2N3CCCCC3)n2)nnc1c4cccs4,0.0
16575,CO-ADD:0231360,10.17,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)Cl,0.0
16576,CO-ADD:0236072,10.17,s1c(\C=N\NC(COc2ccccc2)=O)ccc1Br,0.0
16577,CO-ADD:0234403,10.17,c(OC(C(F)(F)F)C(F)(F)F)(nc(Nc(cc1)ccc1C(OCC)=O)nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
16578,CO-ADD:0236436,10.17,c(C(=O)Nc1ccccc1Br)(c(N)c(c23)cc(c(N)n2)C#N)s3,0.0
16579,CO-ADD:0234408,10.17,C1(c2ccc(cc2)Br)(OCC(CCC)O1)Cn(c3)ncn3,0.0
16580,CO-ADD:0236846,10.17,N1(c2ccc(cc2Cl)Cl)C(=O)C(CC3)C(C3(C)C1=O)(C)C,0.0
16581,CO-ADD:0236319,10.17,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCCOc3ccccc3)c4ccccc4,0.0
16582,CO-ADD:0236304,10.17,N1(c2cccc(C)c2)C(=O)CC(N(CC3)CCN3C\C=C\c4ccccc4)C1=O,0.0
16583,CO-ADD:0233432,10.17,c(cc(Br)cc1Cl)(\C=N\c(cc2)ccc2Cl)c1O,0.0
16584,CO-ADD:0318777,10.17,c1(NC(=O)c2cc(Cl)ccc2OC)sc(c3c1C#N)CCC3,0.0
16585,CO-ADD:0236390,10.17,S(=O)(=O)(N1CCCCC1)c2ccc(cc2Br)Br,0.0
16586,CO-ADD:0243233,10.16,c(OC1)(c(OC)cc2CC(O)=O)c(O1)c2OC,0.0
16587,CO-ADD:0243457,10.16,c(c(cc1)ccc1O)(nc2c(cc3OC)cc4c3OCO4)on2,0.0
16588,CO-ADD:0243312,10.16,COc1c(OCO2)c2c(OC)cc1\C=C(\C3=O)/N(CCC34)CC4,0.0
16589,CO-ADD:0328353,10.16,C1(=NCCCS1)N(c2ccccc2)CC(=O)c(ccc(c3Cl)Cl)c3,0.0
16590,CO-ADD:0243760,10.16,c(c1c(OC)c(OCO2)c2c(OC)c1)(c(N)[nH]n3)c3c4ccc(OC)cc4,0.0
16591,CO-ADD:0243797,10.16,C(C)(=C1)OC(=O)C(C(c(c(OC)c2c(OCO2)c3OC)c3)C(C(=O)Nc(ccc(OC)c4)c4)O5)=C15,0.0
16592,CO-ADD:0329138,10.16,C12=C(CC(c3ccc(cc3)C)CC1=O)Nc(c4NC2c5c6c([nH]c5)cccc6)cccc4,0.0
16593,CO-ADD:0243813,10.16,c(c1c(OC)c(OC)c(OCO2)c2c1)(c(N)no3)c3c4ccc(OC)cc4,0.0
16594,CO-ADD:0236685,10.16,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccccc2I)Nc3nccnc3OC,0.0
16595,CO-ADD:0236678,10.16,N(CCN1S(c2ccccc2)(=O)=O)(C1c3ccccc3)S(=O)(=O)c4ccc(cc4)C,0.0
16596,CO-ADD:0236601,10.16,c1(OC(N)=C(C2c3c(Cl)ccc(c3)[N+](=O)[O-])C#N)c2c(n[nH]1)C,0.0
16597,CO-ADD:0233027,10.16,C(=O)(c1ccccc1C)N\N=C(\C)/C=C/c2ccccc2,0.0
16598,CO-ADD:0236204,10.16,N12C(S\C(=C/c3cccc(Cl)c3Cl)\C1=O)=C(C(c4cccc(Cl)c4Cl)C(C#N)=C2N)C#N,0.0
16599,CO-ADD:0236219,10.16,N12C(S\C(=C/c3ccccc3I)\C1=O)=C(C(c4ccccc4I)C(C(OCC)=O)=C2N)C#N,0.0
16600,CO-ADD:0229058,10.16,[N+](=O)([O-])N(C)CC(COC)O[N+](=O)[O-],0.0
16601,CO-ADD:0233306,10.16,C(NCCO)(=O)C(c1ccccc1)c2ccccc2,0.0
16602,CO-ADD:0227668,10.16,c1(nnc(CC(C)C)s1)NC(=O)c(cc2)cc(c2[N+](=O)[O-])Cl,0.0
16603,CO-ADD:0235997,10.16,n(nnc1[N+](=O)[O-])(C(=C(C)OC(=C2C#N)N)C2c(cccn3)c3)n1,0.0
16604,CO-ADD:0234884,10.16,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
16605,CO-ADD:0227429,10.16,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C(\C)/CCc2ccccc2,0.0
16606,CO-ADD:0227382,10.16,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(CNC(=O)c2ccccc2Br)=O,0.0
16607,CO-ADD:0327704,10.15,C(C#N)(=C1N)C2(CCCCC2)C(C(SCC(OCC)=O)=N1)C(N)=O,0.0
16608,CO-ADD:0328825,10.15,C1(C(=O)\C=C\c2ccccc2)=C(CC(C)(C)CC1=O)NC(C)C(O)=O,0.0
16609,CO-ADD:0328979,10.15,c1(c(ccc2C(=O)N(CC3)CCN3C45CC(CC6C4)CC(C6)C5)C(=O)c(c7C1=O)cccc7)c2[N+](=O)[O-],0.0
16610,CO-ADD:0327786,10.15,S(=O)(=O)(c1ccc(cc1)Cl)c2c(O)c(C)cc(NC(=O)c3ccc(cc3)OC)c2C,0.0
16611,CO-ADD:0329631,10.15,c12c(nnc(SCC(=O)NCc(ccc(c34)OCO3)c4)n1)c(c5n2C(C)C)cccc5,0.0
16612,CO-ADD:0329799,10.15,c1(CN(c2cccc(C)c2C)C(=O)Nc3ccccc3)nnc(CCCCC4)n14,0.0
16613,CO-ADD:0227693,10.15,c1(c2c(s3)CCCC2)c3N=C(C)N(\N=C\c(cccc4[N+](=O)[O-])c4O)C1=O,0.0
16614,CO-ADD:0233670,10.15,c1(nonc1C#N)N=P(c2ccccc2)(c3ccccc3)c4ccccc4,0.0
16615,CO-ADD:0229750,10.15,N1(c2cccc(c2)C(=O)NC(=CNC(N3)=O)C3=O)C(=O)c(c4C1=O)ccc(c4)C(=O)NC(=CNC(N5)=O)C5=O,0.0
16616,CO-ADD:0233631,10.15,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc(cc4)ccc4OCCC,0.0
16617,CO-ADD:0320483,10.15,N(C(=O)c1ccccc1Br)C(=S)N(CC2)CCN2C,0.0
16618,CO-ADD:0233166,10.15,n(\N=C\c(ccc(c1)N(CC)CC)c1O)(cnn2)c2,0.0
16619,CO-ADD:0318799,10.15,c1(ccoc1C)C(=O)Nc2cccc(Cl)c2C,0.0
16620,CO-ADD:0318815,10.15,c1(NC(COc(cc2)ccc2F)=O)sc(c3c1C(OC)=O)CCCC3,0.0
16621,CO-ADD:0318839,10.15,c1(NC(=O)c(cc2OC)cc(c2OC)OC)sc(c(C)c1C(OC)=O)C,0.0
16622,CO-ADD:0233160,10.15,N1(CN(c2cccc(F)c2)C(c3ccccc3)=O)C(=O)c4c(cc(cc4)NC(C)=O)C1=O,0.0
16623,CO-ADD:0326099,10.15,n1(ncn2)c2NC(=C(Br)C1=O)C,0.0
16624,CO-ADD:0326124,10.15,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(c(cccc3)c3n4Cc(ccc(c5Cl)Cl)c5)c4,0.0
16625,CO-ADD:0326532,10.15,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(ccs4)c4,0.0
16626,CO-ADD:0326540,10.15,c1(OC(=O)C(=C2C)CC)c2c(n[nH]1)C,0.0
16627,CO-ADD:0325945,10.15,C(/NC(=O)c1ccc(cc1)OCC(C)C)(=C/c2ccco2)\C(=O)N(CC3)CCO3,0.0
16628,CO-ADD:0325969,10.15,[N+](=O)([O-])c1cc(C)ccc1NC(=O)C2CC(OC23CCCCC3)=O,0.0
16629,CO-ADD:0325985,10.14,n1(c(cc2)ccc2C(=O)OCC(=O)Nc3cccc(O)c3)nnnc1SCC(OCC)=O,0.0
16630,CO-ADD:0243274,10.14,C(O1)Oc2c1c(OC)c(\C=C\C(N3C(C(=O)O)CCC3)=O)cc2OC,0.0
16631,CO-ADD:0243466,10.14,c(C(C1)c2cc(OC)c3c(OCO3)c2OC)(c(NC1=O)c4C(O)=O)n(c5cccc(F)c5)c4,0.0
16632,CO-ADD:0243317,10.14,c(OC)(c(OC)c1\C=C\C(c(cc2)ccc2Cl)=O)c(OC3)c(O3)c1,0.0
16633,CO-ADD:0243557,10.14,CC(C)(C)n(nc1)c2c1C(C3C(=N2)NC(N3c4cccc(OC)c4)=O)c5c(c6c(c(OC)c5)OCO6)OC,0.0
16634,CO-ADD:0243662,10.14,c(cc1O)(Oc2c(c(N)c(C#N)c(N)n2)C3c(cc4OC)c(OC)c(OCO5)c45)c3cc1,0.0
16635,CO-ADD:0243676,10.14,C1(SC(=NC(N2C(C)C)=C1C(=O)N2)C)c3c(OC)c(OCO4)c4c(OC)c3,0.0
16636,CO-ADD:0243316,10.14,C12[C@@](C)(C(=O)\C(=C\c3cc(OC)c(OC4)c(O4)c3)\C1)CCC5C2CC=C(CC(O)C6)[C@]5(C)C6,0.0
16637,CO-ADD:0243708,10.14,n(c1c(c2c3c(OC)c(OCO4)c4c(OC)c3)SC(N1CC(=O)N)=O)c(c2cn5)n5C(C)C,0.0
16638,CO-ADD:0243796,10.14,C(C)(=C1)OC(=O)C(C(c(c(OC)c2c(OCO2)c3OC)c3)C(C(=O)Nc(ccc(Cl)c4)c4)O5)=C15,0.0
16639,CO-ADD:0237373,10.14,C(C1CC1)N2Cc3ccccc3OC4(CCN(Cc5c[nH]c6cnccc56)CC4)C2,0.0
16640,CO-ADD:0237393,10.14,COc1ccc(cn1)c2cnc3ccc(NCc4ccc(cc4)S(=O)(=O)N)nn23,0.0
16641,CO-ADD:0237148,10.14,Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c2)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0.0
16642,CO-ADD:0233237,10.14,c1(CC(O)=O)cc(OC)c(cc1C(C)=O)OC,0.0
16643,CO-ADD:0231548,10.14,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2ccccc2C)=O)c3ccccc3Br,0.0
16644,CO-ADD:0236465,10.14,n(c1C)(nnc1C(=O)N\N=C\c2c(cccc2Cl)F)c3nonc3N,0.0
16645,CO-ADD:0236026,10.14,N1(CC(OCC(=O)Nc(cc2)ccc2C)=O)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
16646,CO-ADD:0236002,10.14,c1(SCC(=O)Nc(cc2)ccc2C#N)sc(c3n1)cccc3,0.0
16647,CO-ADD:0234759,10.14,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)N3CCC(CC3)C,0.0
16648,CO-ADD:0227097,10.14,C12(c3c(NC1=O)ccc(Br)c3)C4=C(CCCC4=O)OC(N)=C2C#N,0.0
16649,CO-ADD:0328915,10.14,C1(=C(C)NC(NC1=O)=O)S(=O)(=O)NCc(ccc(c23)OCO2)c3,0.0
16650,CO-ADD:0229228,10.14,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(cc3)Cl)c4c(C)nn(c5ccccc5)c4O,0.0
16651,CO-ADD:0229725,10.14,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)O,0.0
16652,CO-ADD:0328940,10.14,C(/Sc(cccc1)c1C2=O)(=N/C(=O)Nc3ccccc3)\N2,0.0
16653,CO-ADD:0227151,10.14,c1(c2ccc(cc2)C)nc(sc1c(cc3)ccc3[N+](=O)[O-])N,0.0
16654,CO-ADD:0326796,10.14,c1(c2c(cccc2F)Cl)noc(C)c1C(=O)NCc(cc3)ccc3S(N)(=O)=O,0.0
16655,CO-ADD:0328136,10.14,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2[N+](=O)[O-])N3CCC(C(CCCC4)C34)=O,0.0
16656,CO-ADD:0234265,10.14,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc2ccc3c(c(ccc4)CC3)c24)c1,0.0
16657,CO-ADD:0234191,10.13,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3Br)OC)c3)c4cc(Cl)ccc4Cl,0.0
16658,CO-ADD:0236285,10.13,C(=C\c(ccc(c1OC)OCc2ccc(cc2Cl)Cl)c1)(/C3=O)\C(=O)NC(=S)N3,0.0
16659,CO-ADD:0234798,10.13,N1(CC(=O)Nc(cc2)ccc2S(N)(=O)=O)C(=O)CCC1=O,0.0
16660,CO-ADD:0233669,10.13,C(c1ccccc1)(=O)NNC(c(cc2)ccn2)=O,0.0
16661,CO-ADD:0233630,10.13,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc4ccc(cc4C)C,0.0
16662,CO-ADD:0236432,10.13,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2C)N(CC3C)CC(N3)C,0.0
16663,CO-ADD:0231775,10.13,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2[N+](=O)[O-])=O)N3CCCC3)c1,0.0
16664,CO-ADD:0227225,10.13,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c2ccccc2F,0.0
16665,CO-ADD:0243341,10.13,c1c(Cl)cc(n(c(c2C3c(cc(OCO4)c45)c(OC)c5OC)NC(=O)C3)cn2)cc1,0.0
16668,CO-ADD:0243184,10.13,c(OC1)(c(OC)cc2\C=C\C(=O)NCCO)c(O1)c2OC,0.0
16669,CO-ADD:0243234,10.13,c(OC1)(c(OC)cc2C(O)C(O)=O)c(O1)c2OC,0.0
16670,CO-ADD:0243410,10.13,COc(c(c(c1O2)OC2)OC)c(c(c(c(n3)c4)cc(c4O5)OC5)c(c3C6)C(O6)=O)c1,0.0
16671,CO-ADD:0243303,10.13,c(OC)(c(OC)c1\C=C\C(c(cc2)ccc2)=O)c(OC3)c(O3)c1,0.0
16672,CO-ADD:0243311,10.13,[se]1c2c(NC(CC2c3cc(OC)c(OCO4)c4c3)=O)nc1N,0.0
16673,CO-ADD:0243222,10.13,c1(c(OCO1)c2\C=N\NC(N)=S)c(OC)c(c2CC(CC(=N3)c4ccc(cc4)Cl)O3)OC,0.0
16674,CO-ADD:0329178,10.13,N#CCc(cc1)ccc1NC(COc(ccc(c2C)Cl)c2)=O,0.0
16675,CO-ADD:0243846,10.13,C1=C(C)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)Nc(cc4[N+](=O)[O-])ccc4F)=C1O,0.0
16676,CO-ADD:0237087,10.13,CS(=O)(=O)c1cccc(c1)c2cnc3[nH]cc(c4ccc(CCC(=O)O)cc4)c3c2,0.0
16677,CO-ADD:0237352,10.13,Nc1ncnc2[nH]nc(Cc3cccc4ccccc34)c12,0.0
16678,CO-ADD:0237434,10.13,CCOC(=O)c1noc(N)c1c2ccccc2,0.0
16679,CO-ADD:0237385,10.13,Nc1cccnc1Nc2ccc(Cl)cc2,0.0
16680,CO-ADD:0237305,10.12,FC(F)(F)c1cc(NCCc2ccccc2)nc(n1)c3ccccn3,0.0
16681,CO-ADD:0237138,10.12,CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N4CCN(C)CC4)c2C1)c5ccccc5,0.0
16682,CO-ADD:0231533,10.12,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(cccn2)c2)c3cccc(Br)c3,0.0
16683,CO-ADD:0231063,10.12,C(=O)(\C=C\c(cc1)ccc1Br)Oc2ccccc2\C=N\c(cc3)ccc3N=Nc4ccccc4,0.0
16684,CO-ADD:0233302,10.12,S(=O)(=O)(c(cccc1C(=O)Nc(cccc2[N+](=O)[O-])c2)c1)N(CC3)CCO3,0.0
16685,CO-ADD:0234537,10.12,c1([N+](=O)[O-])c(SCCC#N)n(c(C)n1)Cc(ccc(c2[N+](=O)[O-])OC)c2,0.0
16686,CO-ADD:0235001,10.12,C1(C)(C)C(C1\C=C(/Cl)\Cl)C(=O)NNC(=O)c2ccccc2O,0.0
16687,CO-ADD:0326405,10.12,C1([N+](=O)[O-])=C(\C=C\c(ccc(c2OC)OCc3ccccc3Cl)c2)NC(NC1=O)=O,0.0
16688,CO-ADD:0236015,10.12,c1(NC(CSc2oc(c3n2)cccc3)=O)sc(c4c1C(OCC)=O)CCC4,0.0
16689,CO-ADD:0236506,10.12,N1(c2ccc(cc2C(c3ccccc3)=O)Cl)C(=O)c4c(cccc4)C1=O,0.0
16690,CO-ADD:0234148,10.12,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(=O)\C(=C/c(ccc(c23)OCO2)c3)\NC(c4ccccc4)=O,0.0
16691,CO-ADD:0328412,10.12,c12c(C(c3ccc(cc3)Cl)SCC(=O)N1)c(nn2c4ccccc4)c5ccccc5,0.0
16692,CO-ADD:0227400,10.12,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c(cc2)ccc2Cl,0.0
16693,CO-ADD:0229665,10.12,[C@@]1(C#N)(C#N)[C@]([H])(c2ccccc2F)[C@@](N3[C@]1([H])C=Cc4c3ccc(cccc5)c45)([H])C(c6ccccc6)=O,0.0
16694,CO-ADD:0227342,10.12,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(cc3)ccc3N(C)C,0.0
16695,CO-ADD:0327967,10.12,C1(O)(C(F)(F)F)c2c(OC1=O)ccc(C)c2,0.0
16696,CO-ADD:0227626,10.12,c1(oc(c2n1)cccc2)c3ccc(cc3O)\N=C\c4cccc(F)c4O,0.0
16697,CO-ADD:0328945,10.11,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c(cc5)cc(c5OC(CCCCCCC)=O)OC,0.0
16698,CO-ADD:0328857,10.11,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)c3c(oc1C(C)=O)ccc(Cl)c3,0.0
16699,CO-ADD:0329651,10.11,c(c(cc1)ccc1C(O)=O)(n[nH]n2)n2,0.0
16700,CO-ADD:0329314,10.11,n1(C(=O)CSc(cc2)ccc2Cl)c3c(c(CCCC4)c14)cccc3,0.0
16701,CO-ADD:0326662,10.11,c1(C(=O)c2cc(OC)ccc2OC)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)cccc3,0.0
16702,CO-ADD:0234497,10.11,C(c1ccccc1NC(=O)\C=C\c2ccccc2)#Cc3ccccc3,0.0
16703,CO-ADD:0228981,10.11,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C(\CC)/c3ccccc3,0.0
16704,CO-ADD:0236447,10.11,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c3cccc(N)c3)c4nonc4N,0.0
16705,CO-ADD:0231196,10.11,S(=O)(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2NC(C)=O)c(cccc3[N+](=O)[O-])c3,0.0
16706,CO-ADD:0229578,10.11,c1(c[nH]nc1c2cccs2)c3cc(OC)ccc3O,0.0
16707,CO-ADD:0227289,10.11,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3O,0.0
16708,CO-ADD:0318680,10.11,C1(C2c3cccc(c3)OCc4c(cccc4F)Cl)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
16709,CO-ADD:0229661,10.11,C1(c2cccc(OC)c2)C(C(OC)=O)C(=O)CC(C)(O)C1C(OC)=O,0.0
16710,CO-ADD:0326076,10.11,n1nc(oc1c2ccc(cc2)F)CCC,0.0
16711,CO-ADD:0326173,10.11,C1(C(F)(F)F)(C(F)(F)F)\C(=C\CCCCC2)\C2N(C(N)=C1C#N)c(cc3)ccc3C(F)(F)F,0.0
16712,CO-ADD:0243243,10.11,C(CC(O1)Cc(cc2OC)cc(c23)OCO3)(C(NN)=O)=N1,0.0
16713,CO-ADD:0243240,10.11,C(CC(O1)Cc(cc2OC)cc(c23)OCO3)(C(OCC)=O)=N1,0.0
16714,CO-ADD:0243673,10.11,N1C(=O)CC(c2cc(OC)c(OCO3)c3c2OC)c(cnn4Cc(c5)occ5)c14,0.0
16715,CO-ADD:0243948,10.11,c(OC)(c(O)c1)ccc1c2[nH]ncc2c3cc(OC)c4c(OCO4)c3OC,0.0
16716,CO-ADD:0237220,10.11,CCCCOC(=O)Nc1cc2nc([nH]c2cc1N3CCCC3)C4CCCCC4,0.0
16717,CO-ADD:0237141,10.1,COC(=O)C1=C(C)NC(=C(C1c2cccc3nonc23)C(=O)OC(C)C)C,0.0
16718,CO-ADD:0237388,10.1,COc1ccc(cc1)C2(CCCC2)C(=O)Nc3ccc(Br)cc3,0.0
16719,CO-ADD:0237308,10.1,COc1cccc(CC(=O)N2CCC(CC2)n3c(C)nc4ccc(F)cc34)c1,0.0
16720,CO-ADD:0237161,10.1,Oc1c(I)cc(I)c2cccnc12,0.0
16721,CO-ADD:0237327,10.1,O=C(C1CCN(CC1)c2nnnn2c3ccccc3)N4CCc5ccccc5C4,0.0
16722,CO-ADD:0234562,10.1,C(=O)(Oc1cccc(c1)\C=N\NC(COc2c(C)cccc2C)=O)c3ccccc3Br,0.0
16723,CO-ADD:0231557,10.1,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccc(cc2Cl)Cl)=O)c3cccc(F)c3,0.0
16724,CO-ADD:0234594,10.1,N(\C(=C/c(ccc1I)o1)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
16725,CO-ADD:0236801,10.1,n1(nc(cc1O)NC(=O)c(cccc2[N+](=O)[O-])c2)c3c(Cl)cc(cc3Cl)Cl,0.0
16726,CO-ADD:0236805,10.1,N(=C\c(cc1)ccc1SC)/NC(CCc2ccccc2)=O,0.0
16727,CO-ADD:0231002,10.1,C(=O)(c1ccc(cc1)OC(NCCCCCCCC)=S)Nc(cc2)ccc2OCC,0.0
16728,CO-ADD:0233219,10.1,N1C(=O)CC(Cc(cc2)ccc2OCC)C1=O,0.0
16729,CO-ADD:0227526,10.1,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(cccc4[N+](=O)[O-])c4O,0.0
16730,CO-ADD:0233632,10.1,C12(CC(CC3C1)CC(C3)C2)C(=O)Nc(cc4)ccc4\C=C\c(cc5)ccc5NC(=O)C67CC(CC8C6)CC(C8)C7,0.0
16731,CO-ADD:0326566,10.1,C(Nc1cccc(C)c1)(C(OC)=O)(C(F)(F)F)NC(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
16732,CO-ADD:0229856,10.1,N1(C(C)=O)[C@@]([H])(c2ccccc2)SC[C@@]1([H])C(O)=O,0.0
16733,CO-ADD:0229648,10.1,C1(C2c(cc3)ccc3N(CC4)CCO4)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC5=O)=C25,0.0
16734,CO-ADD:0227753,10.1,N(CC1)(CCN1CC)c2ccc(cc2)Nc3ccnc(cccc4)c34,0.0
16735,CO-ADD:0326406,10.1,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OCCCCCCC)c4)\C1=O,0.0
16736,CO-ADD:0231264,10.1,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc(ccc(c3Cl)Cl)c3,0.0
16737,CO-ADD:0228001,10.1,N(=C(/C)\c1ccc(cc1)Br)/NC(COc2ccc(cc2OC)Br)=O,0.0
16738,CO-ADD:0229735,10.1,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N/NC(COc3ccc(cc3Br)Cl)=O,0.0
16739,CO-ADD:0229209,10.1,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4C,0.0
16740,CO-ADD:0328024,10.1,n12c(nc(cc1C(F)(Cl)F)c3cccs3)cc(C(NCCc(c4c([nH]5)ccc(OC)c4)c5C)=O)n2,0.0
16741,CO-ADD:0231714,10.1,c1(C(=O)N\N=C\c2c3c([nH]c2C)cccc3)nn(c(c4ccccc4)n1)c5ccccc5,0.0
16742,CO-ADD:0328552,10.1,C1(=S)N(Nc2c(Cl)cc(cn2)Cl)C(C(=O)N1c3ccc(cc3)OC)CC(=O)Nc(cc4)ccc4C(OCC)=O,0.0
16743,CO-ADD:0227409,10.1,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNc2ccccc2C)=O)c3ccccc3Cl,0.0
16744,CO-ADD:0319394,10.1,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(OC)=O)Cl)c1,0.0
16745,CO-ADD:0236451,10.1,c1(Nc(cc2)ccc2C(C)=O)nc(OC)nc(OC)n1,0.0
16746,CO-ADD:0227864,10.09,S(c1ccccc1)(=O)(=O)N(CC(N)=O)c2ccc(cc2Cl)Cl,0.0
16747,CO-ADD:0227370,10.09,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C/c(ccc(c34)cccc3)c4,0.0
16748,CO-ADD:0324750,10.09,N(CCc(c1c([nH]2)cccc1)c2C)(C(=O)c3ccc(cc3)O)C4(CCCCC4)C(=O)Nc5c(C)cccc5C,0.0
16749,CO-ADD:0231753,10.09,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c4c(C)cc(cc4O)O,0.0
16750,CO-ADD:0229372,10.09,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)NC(C)c3ccccc3,0.0
16751,CO-ADD:0327476,10.09,C(Nc(cccc1C(O)=O)c1)(C(=O)c(cccc2)c2C3=O)=C3N(CC4)CCO4,0.0
16752,CO-ADD:0237408,10.09,CC(C(SC1=NC=CC=N1)=C2C)=NN2C(NC3=CC=CC(C(F)(F)F)=C3)=O,0.0
16753,CO-ADD:0237413,10.09,COc1cccc(c1)n2nnnc2S(=O)(=O)C,0.0
16754,CO-ADD:0230909,10.09,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C\c(cc2OC)cc(c2OC)OC,0.0
16755,CO-ADD:0232912,10.09,N1(c(cc2)ccc2c3[nH]c(c4n3)cccc4)C(=O)c(c5C1=O)ccc(C(O)=O)c5,0.0
16756,CO-ADD:0230927,10.09,[n+]1(noc([O-])n1)c2n[nH]cc2[N+](=O)[O-],0.0
16757,CO-ADD:0231059,10.09,[N+](=O)([O-])c1ccc(cc1)CC(=O)Oc2ccccc2,0.0
16758,CO-ADD:0231667,10.09,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
16759,CO-ADD:0233271,10.09,S(NCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])(=O)(=O)c2ccccc2[N+](=O)[O-],0.0
16760,CO-ADD:0231061,10.09,c1(cc(OC)ccc1NC(=O)C\C(\C)=N\NC(COc2ccccc2C)=O)[N+](=O)[O-],0.0
16761,CO-ADD:0234528,10.09,c1(ccc(Br)o1)C(=O)Nc(cc2)ccc2I,0.0
16762,CO-ADD:0231021,10.09,C(=O)(Nc(cc1)ccc1I)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
16763,CO-ADD:0227163,10.09,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc(cc2)ccc2C(=O)Nc(cc3)ccc3OC,0.0
16764,CO-ADD:0227249,10.09,[N+](=O)([O-])c1ccc(cc1)OC(=O)C(C)NC(=O)C(C(C)C)NC(OCc2ccccc2)=O,0.0
16765,CO-ADD:0229465,10.09,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\NCC,0.0
16766,CO-ADD:0326454,10.09,C(C(C)(C)NC(COC)=O)#C,0.0
16767,CO-ADD:0229085,10.09,C(=O)(c1ccccc1C)Nc(cc2)ccc2C(=O)N\N=C\c3ccccc3,0.0
16768,CO-ADD:0229172,10.09,N1(c2ccc(cc2C)C)C(=O)C(C3C1=O)C(CC34)C(C4Br)Br,0.0
16769,CO-ADD:0231843,10.09,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c4ccccc4O,0.0
16770,CO-ADD:0330080,10.09,C(C(O)=O)C(c1ccc(c(OC)c1)OCC)NC(COc(ccc(c23)cccc2)c3)=O,0.0
16771,CO-ADD:0227509,10.09,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N/NC(COc3cccc(Cl)c3)=O,0.0
16772,CO-ADD:0329600,10.09,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3c(OC)ccc(OC)c3,0.0
16773,CO-ADD:0320356,10.09,C(/C(=O)NCC1CCCO1)(\NC(=O)c2ccc(c(C)c2)C)=C/c3cccs3,0.0
16774,CO-ADD:0227093,10.09,c(C(O)=O)(sc(c12)nc(cc1c3ccccc3)c4ccccc4)c2N,0.0
16775,CO-ADD:0229196,10.09,n1(nnc(C)c1C(=O)N\N=C\C=C/c(cc2)ccc2N(C)C)c3nonc3N,0.0
16776,CO-ADD:0229180,10.09,S(=O)(=O)(c1cccc2c1cccc2S(=O)(=O)Nc3cc(Br)cc(cccn4)c34)Nc5cc(Br)cc(cccn6)c56,0.0
16777,CO-ADD:0329202,10.08,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
16778,CO-ADD:0329210,10.08,[N+](=O)([O-])c(ccc(c1C(NCCc(c2c([nH]3)cccc2)c3C)=O)Cl)c1,0.0
16779,CO-ADD:0233067,10.08,c(c(CC)nc1NC(C)=O)(s1)c(ccc2[N+](=O)[O-])o2,0.0
16780,CO-ADD:0230967,10.08,c(NC(C)(C)CO)(nc(Cl)nc1NC(C)C)n1,0.0
16781,CO-ADD:0236585,10.08,C12(c3c(NC1=O)ccc(c3)[N+](=O)[O-])C4=C(CCCC4=O)OC(N)=C2C#N,0.0
16782,CO-ADD:0234811,10.08,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(COc3c(C)cccc3C)=O,0.0
16783,CO-ADD:0227525,10.08,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])Br,0.0
16784,CO-ADD:0230930,10.08,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(ccc(c2C)C)c2)c3ccc(cc3OC)OC,0.0
16785,CO-ADD:0231109,10.08,c(c(C)cc(c1NC(=O)c2ccc(cc2)Br)C)(NC(=O)c3ccc(cc3)Br)c1C,0.0
16786,CO-ADD:0231097,10.08,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCC(=O)Nc2cccc(Br)c2)=O)O)c1,0.0
16787,CO-ADD:0233210,10.08,c1(nc(C)cc(N(CCO)CCO)n1)c2ccccc2O,0.0
16788,CO-ADD:0230984,10.08,c1(SCC(=O)Oc(cc2)ccc2C(OC)=O)nc(C)cc(C)n1,0.0
16789,CO-ADD:0231385,10.08,c1(oc(c2n1)ccc(c2)\N=C\c(cccc3Oc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c3)c5ccc(cc5Cl)Cl,0.0
16790,CO-ADD:0231824,10.08,n1c2c(oc1c3ccc(cc3)\N=C\c(cc4)ccc4C(OC)=O)cccc2,0.0
16791,CO-ADD:0233424,10.08,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(cccc3OC(C)=O)c3,0.0
16792,CO-ADD:0236414,10.08,[N+](=O)([O-])c1cccc(C(=O)COC(=O)c2ccccc2I)c1,0.0
16793,CO-ADD:0229270,10.08,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)Nc3c(Cl)ccc(Cl)c3,0.0
16794,CO-ADD:0227633,10.08,N(=C1c2ccc(cc2)Cl)\C(=C(\C)/c(cccc3[N+](=O)[O-])c3)\C(O1)=O,0.0
16795,CO-ADD:0231344,10.08,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c2ccccc2OC(=O)c3ccc(cc3)OC,0.0
16796,CO-ADD:0329811,10.08,c12c(C(N(C)C(=O)N1C)=O)n(c(Cl)n2)CC(=O)c(cccc3[N+](=O)[O-])c3,0.0
16797,CO-ADD:0326530,10.08,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(CC)s4,0.0
16798,CO-ADD:0326295,10.08,C(F)(F)(F)c(cc1)ccc1C(=O)Nc(cc2)ccc2C(O)=O,0.0
16799,CO-ADD:0326663,10.08,c1(C(=O)c2ccc(cc2)F)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)ccc(Cl)c3,0.0
16800,CO-ADD:0328739,10.08,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)NCc(cccn2)c2)Cl)c1,0.0
16801,CO-ADD:0328643,10.08,c1(C(=O)N2CCCCC2)nn(c(cc(cc3S(=O)(=O)CC(C)C)[N+](=O)[O-])c13)c4ccccc4,0.0
16802,CO-ADD:0328652,10.08,S(c1ccccc1)(=O)(=O)c(cc2)ccc2C(=O)Nc3ccc(c(cccn4)c34)Br,0.0
16803,CO-ADD:0229039,10.08,C(OC)(NCCCCCCNC(OC)=O)=O,0.0
16804,CO-ADD:0233717,10.08,N(CC1)(CCC1(C)c(ccn2)o2)C([C@H](CCCCN)N)=O.Cl.Cl,0.0
16805,CO-ADD:0318968,10.07,c1(C(=O)N(C)C(N2C)=O)c2nc(n(c3c4cccs4)c5ccccc5)n1c3,0.0
16806,CO-ADD:0234095,10.07,c1(cccc(cccc2)c12)NC(CCC(O)=O)=O,0.0
16807,CO-ADD:0231583,10.07,C(C)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc5cc(C)ccc5C)C24,0.0
16808,CO-ADD:0231575,10.07,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(OCC)=O,0.0
16809,CO-ADD:0227403,10.07,c1(ccc(cc1OC)OC)\C(\C)=N\NC(CNc2cccc(C)c2)=O,0.0
16810,CO-ADD:0227486,10.07,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(=O)\C(\NC(c3ccccc3)=O)=C\c4cccs4)o2)c1,0.0
16811,CO-ADD:0227733,10.07,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(N)c3)n1,0.0
16812,CO-ADD:0329401,10.07,S(=O)(=O)(c1ccc(cc1)CCCCC)N2\C(\SCC2)=N\S(=O)(=O)c3ccc(cc3)CCCCC,0.0
16813,CO-ADD:0328053,10.07,C1(CCC1)(c2cccc(Cl)c2)C(O)=O,0.0
16814,CO-ADD:0327982,10.07,N(CC1)(CCN1C(c2ccccc2)c3ccccc3)C(=O)\C=C/c4ccccc4,0.0
16815,CO-ADD:0232938,10.07,c1(SCC(O)=O)oc(c2n1)cccc2,0.0
16816,CO-ADD:0230999,10.07,C(OCc(cc1)ccc1OC)(=O)N\N=C(\C)/C,0.0
16817,CO-ADD:0231121,10.07,N(=C\c(cc1)ccc1OCc2ccccc2)/NC(CCC(=O)NCc3ccccc3)=O,0.0
16818,CO-ADD:0236881,10.07,[N+](=O)([O-])c1cc2c(cc1\C=N\c(cc3)ccc3[N+](=O)[O-])OCO2,0.0
16819,CO-ADD:0227930,10.07,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c4ccc(cc4Cl)Cl,0.0
16820,CO-ADD:0231500,10.07,c1(oc(c2n1)ccc(c2)\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])Br)c4ccc(cc4Cl)F,0.0
16821,CO-ADD:0234563,10.07,c1(c(OC)cc(c(\C=N\NC(COc(ccc(c2C)C)c2)=O)c1)OC)[N+](=O)[O-],0.0
16822,CO-ADD:0227772,10.07,N1(c2ccc(cc2)OC)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
16823,CO-ADD:0234506,10.07,n1(c2c(n3)cccc2)c3S\C(=C/c(c4)c(N(CC5)CCO5)cc(N(CC6)CCO6)c4[N+](=O)[O-])\C1=O,0.0
16824,CO-ADD:0227748,10.07,N1(C=Nc2c3c(C)c(s2)C)C3=Nc(cccc4)c4C1=O,0.0
16825,CO-ADD:0231847,10.07,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(cc(Br)cc4[N+](=O)[O-])c4O,0.0
16826,CO-ADD:0234852,10.07,C(c(cc1)ccc1\C=N\c(cc2)ccc2C(OC)=O)#Cc3ccccc3,0.0
16827,CO-ADD:0233153,10.07,n1c(c2ccc(cc2)Br)csc1Nc3ccccc3,0.0
16828,CO-ADD:0236310,10.07,N1(c2ccc(cc2)OCCC)C(=O)CC(N3CCCCC3CC)C1=O,0.0
16829,CO-ADD:0234676,10.07,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2cccc(F)c2)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
16830,CO-ADD:0237029,10.07,O[C@@H](C(NCCC(NCCC1=CC=CC=C1)=O)=O)C(C)(C)COP(O)(O)=O,0.0
16831,CO-ADD:0229037,10.07,N(C(c1ccccc1)=O)c2sccn2,0.0
16832,CO-ADD:0329675,10.06,S(=O)(=O)(c1ccc(cc1)OCC)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
16833,CO-ADD:0329835,10.06,c1(C(=O)N(C)C(N2C)=O)c2nc3n1C(CC)C(c4ccccc4)=NN3CCO,0.0
16834,CO-ADD:0329996,10.06,N1(c2ccc(c(Cl)c2)Cl)C(c3ccccc3OC)N4N(CCC4)C1=O,0.0
16835,CO-ADD:0229853,10.06,C1(C2c3ccccc3OC)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC4=O)=C24,0.0
16836,CO-ADD:0229336,10.06,c1(N(CC)CC)nc(N\N=C\c(cc2)ccc2O)nc(Nc(ccc(c3Cl)C)c3)n1,0.0
16837,CO-ADD:0326402,10.06,C(C(=O)NCC(O)=O)(NC1=O)=CC(N1)=O,0.0
16838,CO-ADD:0327454,10.06,C(=C/c(cc1OC)cc(c1OC)Cl)(/C(=O)NN2c3ccc(c(C)c3)C)\C2=O,0.0
16839,CO-ADD:0326309,10.06,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3C(C)=O,0.0
16840,CO-ADD:0327521,10.06,N1(c2ccccc2F)C(=O)\C(\SC1=N)=C\c(cc3)ccc3OCc4ccccc4F,0.0
16841,CO-ADD:0327585,10.06,c1(sc2c3c(COC)cc(C)n2)c3N=NN(c4ccccc4)C1=O,0.0
16842,CO-ADD:0328772,10.06,[nH](c(ccc(c1)OC)c1c2CCNCc(cc3OC)cc(c3OC)OC)c2C,0.0
16843,CO-ADD:0328757,10.06,S(=O)(=O)(NCc1ccccc1)c2nc(C)c(c(C)c2C#N)Cl,0.0
16844,CO-ADD:0321149,10.06,c1(C(O)=O)cc(OC)c(cc1NC(COc2cccc(OC)c2)=O)OC,0.0
16845,CO-ADD:0229257,10.06,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c(c3C1=O)ccc(C(OCCC(C)C)=O)c3,0.0
16846,CO-ADD:0227091,10.06,C12(c3c(NC1=O)ccc(Cl)c3)C(C#N)=C(N)OC(C)=C2C(OCC)=O,0.0
16847,CO-ADD:0229456,10.06,C(C(OC)=O)(C(C)(O)CC(C1C(OC)=O)=O)C1c2ccccc2,0.0
16848,CO-ADD:0229181,10.06,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(cc3)OCc(cc4)ccc4Cl)c5c(C)nn(c6ccccc6)c5O,0.0
16849,CO-ADD:0327814,10.06,[C@H]1(C[C@H]2C1(C)C)[C@H](CO)[C@@H](SC[C@H](N)C(=O)O)C2,0.0
16850,CO-ADD:0327598,10.06,n1(c(C)c(nn1)C(C)=O)c2nc(NCC)nc(N(CC3)CCO3)n2,0.0
16851,CO-ADD:0327942,10.06,c1(Oc(cc2)ccc2F)nc(Cl)cc(C)c1C(N)=O,0.0
16852,CO-ADD:0233637,10.06,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(cc(Br)cc4Cl)c4O,0.0
16853,CO-ADD:0232890,10.05,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc2)ccc2OCC)c3ccc(cc3Cl)Cl,0.0
16854,CO-ADD:0233077,10.05,C1(c2ccccc2)(c3ccccc3)OC(\C=C\c4ccccc4)Nc(cccc5)c15,0.0
16855,CO-ADD:0232862,10.05,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)Nc3c(C)cc(cc3C)C,0.0
16856,CO-ADD:0234268,10.05,c1(c(O)c(\C=N\c2cccc(cccc3)c23)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
16857,CO-ADD:0236722,10.05,n1(nnc(C(CCC2(C)C)=O)c12)c3nonc3N,0.0
16858,CO-ADD:0234905,10.05,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Br)cc3Cl)c3O)c4c(O)cc(c5c4)cccc5,0.0
16859,CO-ADD:0232839,10.05,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)NC(C)c3ccccc3,0.0
16860,CO-ADD:0231370,10.05,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
16861,CO-ADD:0234304,10.05,c1(c(O)c(\C=N\c(cc2)ccc2Br)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
16862,CO-ADD:0233778,10.05,N1(CCC[C@@H](C1)c(ccn2)o2)C([C@H](CCCCNC(C)=O)N)=O.Cl,0.0
16863,CO-ADD:0233767,10.05,N1(CCC[C@@H](C1)c(ccn2)o2)C(C(CC3)CCN3)=O.Cl,0.0
16864,CO-ADD:0233750,10.05,n1nc(oc1C(CC2)CCN2C(=O)CN(C)C)C,0.0
16865,CO-ADD:0233735,10.05,C(=O)([C@@H]1CCCN1)N(CC2)CCC2(C)c(ccn3)o3.Cl,0.0
16866,CO-ADD:0228995,10.05,C1(C(OC)=O)OC(OC(C)=O)C(C(OC(C)=O)C1OC(C)=O)OC(C)=O,0.0
16867,CO-ADD:0233544,10.05,[N+](=O)([O-])c(ccc(c1\C=N\NC(=S)Nc2ccccc2)N(CC)CC)c1,0.0
16868,CO-ADD:0229130,10.05,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c3cccc(cccc4)c34)c2,0.0
16869,CO-ADD:0326786,10.05,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCC(CC(CC4C5)CC56)(C6)C4)c7ccc(cc7)Cl,0.0
16870,CO-ADD:0326698,10.05,C1(c2ccc(c3n2)cccc3)=CNc(c4C1c5cccc(cccc6)c56)cccc4,0.0
16871,CO-ADD:0328367,10.05,c1(NC(=O)c(cccc2S(=O)(=O)NC3CCCCC3)c2)sc(c4c1C#N)CC(CC4)C,0.0
16872,CO-ADD:0229495,10.05,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)c(O)cc3[N+](=O)[O-],0.0
16873,CO-ADD:0227204,10.05,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c(cc2)ccc2F,0.0
16874,CO-ADD:0328649,10.04,S(=O)(=O)(c1ccc(cc1)Cl)c(cccc2S(NCCc(c3c([nH]4)cccc3)c4)(=O)=O)c2,0.0
16875,CO-ADD:0326645,10.04,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(NCCc4ccccc4Cl)=O)n2,0.0
16876,CO-ADD:0329454,10.04,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc(cccc3C(F)(F)F)c3,0.0
16877,CO-ADD:0329678,10.04,S(=O)(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)C)c3c(OC)ccc(Cl)c3,0.0
16879,CO-ADD:0236847,10.04,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3c4ccccc4)C1=O,0.0
16880,CO-ADD:0236099,10.04,c1(\C=N/CC2CCCO2)c(O)ccc(cccc3)c13,0.0
16881,CO-ADD:0236085,10.04,c1(cc(C(=O)Nc(cc2)ccc2OCCCCCCCC)cc([N+](=O)[O-])c1Nc3cccc(OC)c3)[N+](=O)[O-],0.0
16882,CO-ADD:0233676,10.04,C(I)(C(OC)=O)(C(OC)=O)C(C(OC)=O)C(OC)=O,0.0
16883,CO-ADD:0236872,10.04,c12c(cccc1\N=C\c3sccc3C)C(=O)NNC2=O,0.0
16884,CO-ADD:0227516,10.04,C(c1ccccc1)(=O)Oc2cc(ccc2OC(c3ccccc3)=O)\C=N/NC(CNC(=O)C(c4ccccc4)c5ccccc5)=O,0.0
16885,CO-ADD:0229301,10.04,c(C(=O)c1ccc(cc1)C)(sc(c23)nc(cc2c4ccccc4Cl)c5ccccc5)c3N,0.0
16886,CO-ADD:0229436,10.04,c1(ccccc1NC(=O)c2ccc(cc2)Cl)C(=O)N\N=C\c3cccc(cccc4)c34,0.0
16887,CO-ADD:0229396,10.04,[N+](=O)([O-])c1cc(ccc1OC)\C=N\OC,0.0
16888,CO-ADD:0329722,10.04,N1(c2c(cccc2)CCc(cccc3)c13)C(=O)CN(CC4)CCN4Cc(ccc(c56)OCO5)c6.Cl.Cl,0.0
16889,CO-ADD:0326632,10.04,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc(ccc(c4Cl)F)c4)n2,0.0
16890,CO-ADD:0326209,10.04,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c3ccccc3)\NC(=O)c4ccc(cc4)Br)c1C,0.0
16891,CO-ADD:0327445,10.04,N(CC1)(CCN1CCC(=O)Nc(cc2)ccc2OC(Cl)(F)F)c3ccc(cc3)Cl,0.0
16892,CO-ADD:0326002,10.04,S(=O)(=O)(N(C)C)N(c1ccccc1)CC(=O)Nc2c(OC)ccc(Cl)c2,0.0
16893,CO-ADD:0231040,10.04,c1(cc(Cl)cc(Cl)c1N)C(O)=O,0.0
16894,CO-ADD:0234532,10.04,c1(nc(cccc2)c2c3NC(CCl)=O)c3CCN1c4cccc(Cl)c4,0.0
16895,CO-ADD:0232886,10.04,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)Nc3cccc(Cl)c3,0.0
16896,CO-ADD:0233088,10.04,C(=O)(N\N=C\c1ccccc1)c(cccn2)c2,0.0
16897,CO-ADD:0230998,10.04,C(N(C)C)(=S)Oc(cc1)ccc1C(=O)Nc2ccccc2OC,0.0
16898,CO-ADD:0234283,10.04,c1(c2ccc(cc2)\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])[nH]c5c(ccc(c5)\N=C\c6cc(OCO7)c7cc6[N+](=O)[O-])n1,0.0
16899,CO-ADD:0236365,10.04,C1(\N=C/c(ccc(c2[N+](=O)[O-])Sc3sc(c(ccc4[N+](=O)[O-])n3)c4)c2)=C(C)N(N(c5ccccc5)C1=O)C,0.0
16900,CO-ADD:0231133,10.04,c1(ccc(cc1Cl)Cl)C(=O)N\N=C(/C)\c2ccc(cc2)CCCC(OCC)=O,0.0
16901,CO-ADD:0236588,10.04,C12(c3c(NC1=O)ccc(c3)[N+](=O)[O-])C(C#N)=C(N)OC(C=C(C)OC4=O)=C24,0.0
16902,CO-ADD:0227849,10.04,[N+](=O)([O-])c(cc1)ccc1c2ccc(cc2)\N=C\c(cc(Br)cc3Br)c3O,0.0
16903,CO-ADD:0234886,10.04,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c(ccc(c3OC)OC)c3,0.0
16904,CO-ADD:0234089,10.04,c1(N)c(I)cc(cc1I)I,0.0
16905,CO-ADD:0234074,10.03,c1(c(C)cc(c(CCl)c1C)C)\C=C(/C#N)\C#N,0.0
16906,CO-ADD:0237035,10.03,NC(C=C1)=NC(N1C(O2)C(C(C2COP(OCCCNC(C(O)C(C)(C)CO)=O)(O)=O)O)O)=O,0.0
16907,CO-ADD:0237019,10.03,O[C@@H](C(NCCC(NCCCCCCC)=O)=O)C(C)(C)COP(O)(O)=O,0.0
16908,CO-ADD:0328991,10.03,N(Cc1ccccc1)(C(=O)C(C23)C(c4cc(Br)ccc4O)NC2(Cc5ccccc5)C(O)=O)C3=O,0.0
16909,CO-ADD:0329023,10.03,S(c1ccccc1)(=O)(=O)NC(C\C=C/CCC)(C(OC)=O)C(F)(F)F,0.0
16910,CO-ADD:0328087,10.03,c(cn(c1)N)(C2=O)c1N(C(=O)N2C)C,0.0
16911,CO-ADD:0227546,10.03,[N+](=O)([O-])c(ccc(c1\C=N\c2cc(CC)ccc2O)O)c1,0.0
16912,CO-ADD:0227996,10.03,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(COc2ccc(cc2OC)Br)=O)c1,0.0
16913,CO-ADD:0227182,10.03,[N+](=O)([O-])c1ccccc1\C=C\C=N\c2cc(ccc2O)Cc(ccc(c3\N=C\C=C\c4ccccc4[N+](=O)[O-])O)c3,0.0
16914,CO-ADD:0233171,10.03,n1c(N(CC)c2ccccc2)c(Nc3ccccc3)nc(non4)c14,0.0
16915,CO-ADD:0229281,10.03,C(=N\c(cc1)ccc1C)(/SC(=C2c3ccc(cc3)Cl)c4ccccc4)\N2c5ccc(cc5)C,0.0
16916,CO-ADD:0231187,10.03,c1(C(O)=O)cc(ccc1C(O)=O)C(=O)c2ccc(cc2)NC(CCCCCCCCCCC)=O,0.0
16917,CO-ADD:0229310,10.03,c(c(OC)c(C)cc1C(C(Cl)(Cl)Cl)c(cc(C)c(c2[N+](=O)[O-])OC)c2)(c1)[N+](=O)[O-],0.0
16918,CO-ADD:0229303,10.03,S(=O)(=O)(Nc1ccc(cc1C(O)=O)Br)c2cccc(nsn3)c23,0.0
16919,CO-ADD:0229162,10.03,n1c(COC(=O)c(cccc2[N+](=O)[O-])c2)c(oc1c3ccccc3)COC(=O)c(cccc4[N+](=O)[O-])c4,0.0
16920,CO-ADD:0229133,10.03,c1(\C=N\NC(=O)c2ccc(cc2)NC(CCC)=O)cc(OC)ccc1O,0.0
16921,CO-ADD:0229014,10.03,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/c2ccccc2)\COC(=O)c3ccc(cc3)Br)[N+](=O)[O-],0.0
16922,CO-ADD:0237086,10.03,O=C(CCC1CCCCC1)Nc2cccc(c2)c3oc(nn3)c4occc4,0.0
16923,CO-ADD:0236561,10.03,C1(C#N)(C#N)[C@H](c2cccc(Cl)c2Cl)[C@]([H])(C3)C(C(C#N)=C1N)=CCN3CC,0.0
16924,CO-ADD:0236542,10.03,C1(C#N)(C#N)[C@@H](c(ccs2)c2)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)c5cccs5,0.0
16925,CO-ADD:0227228,10.03,C(CNc(cc1)ccc1Cl)(=O)N\N=C\C=C\c2ccccc2,0.0
16926,CO-ADD:0328448,10.03,N1(OC(C)=O)C(C)(C)CC(CC1(C)C)OS(C)(=O)=O,0.0
16927,CO-ADD:0327145,10.03,N12C(CCCCC1)=N\C(=C\c3cc(Br)ccc3O)\C2=O,0.0
16928,CO-ADD:0327122,10.03,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(=O)(=O)Nc4sccn4)n1)c5c(cccc5)n2CC=C,0.0
16929,CO-ADD:0231767,10.03,c1(oc(c2n1)ccc(c2)\N=C\c3ccc(cc3O)O)c4cccc(Cl)c4Cl,0.0
16930,CO-ADD:0257942,10.03,c1(OC(=O)C=C2C)c2cc(CC)c(OCC=C)c1,0.0
16931,CO-ADD:0257327,10.03,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c3cccc(OC)c3,0.0
16932,CO-ADD:0258063,10.03,c1(c2ccccc2Cl)nnn(CC(=O)N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])n1,0.0
16933,CO-ADD:0258135,10.03,c1(C(=O)c2ccc(cc2)Oc3ccccc3)oc(c4c1NC(C)=O)cccc4,0.0
16934,CO-ADD:0257312,10.03,S(=O)(=O)(N(CC)CC)c(c(Cl)cc(c1C(=O)N(CC)CC)Cl)c1,0.0
16935,CO-ADD:0257616,10.03,N12C(S\C(=C\c(cc3)ccc3F)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
16936,CO-ADD:0259876,10.02,C(c1ccccc1)(C(=O)O2)=C(c3ccccc3)OC2(c4ccccc4)Cc5ccccc5,0.0
16937,CO-ADD:0258968,10.02,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc(cc5[N+](=O)[O-])[N+](=O)[O-])c5O,0.0
16938,CO-ADD:0283689,10.02,S(=O)(=O)([O-])c(c1)c(Oc2ccccc2)cc(c(c(C)[nH]3)CC[N+]([H])([H])[H])c13,0.0
16939,CO-ADD:0288803,10.02,c(CCCCCCCCCCCCCCC)(ncc(n1)C)n1,0.0
16940,CO-ADD:0288724,10.02,c1c(F)c(F)cc(c1)NC(=O)C(N\N=C\c2ccc([N+](=O)[O-])o2)=S,0.0
16941,CO-ADD:0285113,10.02,c1(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
16942,CO-ADD:0291520,10.02,[N+](=O)([O-])c(cc1)cc(c1C(=O)NC2CCSC2=O)Cl,0.0
16943,CO-ADD:0285075,10.02,C1(C(=O)c2ccc(cc2)C)=C(O)C(NC1c3ccc(cc3)C)=O,0.0
16944,CO-ADD:0288778,10.02,C12(OCCC(C1)NS(=O)(=O)c3ccc(F)cc3)CCN(CC2)C(c(c4)oc([N+](=O)[O-])c4)=O,0.0
16945,CO-ADD:0289164,10.02,N(C(c1ccccc1)c2ccccc2)(CC3C(O)=O)C3,0.0
16946,CO-ADD:0288978,10.02,S1(=O)(=O)c2c(ccc(F)c2)Oc(cc(cn3)C(OC)=O)c3N1C4CC4,0.0
16947,CO-ADD:0288733,10.02,c1nc([N+](=O)[O-])cn1Cc2sc(nn2)C(Nc3c(F)cccc3)=O,0.0
16948,CO-ADD:0288749,10.02,c(C)(c1)n(c(CCNC(c(c2)oc([N+](=O)[O-])c2)=O)n1)C3CCCCCCC3,0.0
16949,CO-ADD:0221496,10.02,c1(ccc(cc1Cl)Cl)C(=O)Nc(cc2)ccc2N(CC3)CCO3,0.0
16950,CO-ADD:0221461,10.02,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc(cc2)ccc2Br,0.0
16951,CO-ADD:0221503,10.02,S(=O)(=O)(c1ccc(cc1)Br)C(C)(C)CC(C)=O,0.0
16952,CO-ADD:0247936,10.02,c1(SCC(NCCc(ccc(c2OC)OC)c2)=O)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
16953,CO-ADD:0249366,10.02,N1(c2ccccc2)C(=O)c3c(cc(cc3)Oc(cccc4NC(=O)c(cc5)ccc5[N+](=O)[O-])c4)C1=O,0.0
16954,CO-ADD:0221456,10.02,S(=O)(=O)(Nc(cc1)ccc1OCCCC)c2cccc3c2cccc3S(=O)(=O)Nc(cc4)ccc4OCCCC,0.0
16955,CO-ADD:0258356,10.02,C(=C\c(ccc(c1OCC)OC)c1)(/C(c2ccccc2)=NN3c(cc4)ccc4[N+](=O)[O-])\C3=O,0.0
16956,CO-ADD:0283602,10.02,c1(C(=O)[O-])cc(ccc1N(CC2)CCN2CCO)[N+](=O)[O-].O,0.0
16957,CO-ADD:0284202,10.02,S(c1ccccc1)(=O)(=O)N2CCC(CC2)C(=O)N\N=C(/C)\c3ccccc3,0.0
16958,CO-ADD:0283274,10.02,C(=N/c(cc1)ccc1Cl)(/SC(C(O)=O)CC2=O)\N2CC,0.0
16959,CO-ADD:0284275,10.01,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4ccccc4Cl)\N2C5CCCCC5,0.0
16960,CO-ADD:0283819,10.01,S(=O)(=O)(Nc1cccc(C)c1)c2csc(C(=O)Nc3ccccc3)c2,0.0
16961,CO-ADD:0257829,10.01,C(=C/c1cc(Cl)cc(Cl)c1OCc2ccccc2)(/C3=O)\Sc(c34)cccc4,0.0
16962,CO-ADD:0258029,10.01,N1(c(cc2)ccc2C(=O)N3CCCCCC3)C(=O)c4c(cccc4)C1=O,0.0
16963,CO-ADD:0258022,10.01,c1(cc(Br)ccc1OC(=O)c(cc2)ccc2[N+](=O)[O-])C(=S)N3CCCCC3,0.0
16964,CO-ADD:0258023,10.01,C(/c1c(N2)cccc1)(=N/NP(=O)(Oc3cccc(C)c3C)Oc4cccc(C)c4C)\C2=O,0.0
16965,CO-ADD:0257417,10.01,C(=S)(N(CC1)CCO1)c(cc2OC)cc(c2OC(Cc3ccccc3)=O)OC,0.0
16966,CO-ADD:0284154,10.01,C(CNC(N1)=S)(=C1c2ccccc2)S(c3ccccc3)(=O)=O,0.0
16967,CO-ADD:0278763,10.01,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)Cc4cccc(cccc5)c45)n1,0.0
16968,CO-ADD:0278206,10.01,S1(=O)(=O)c(cccc2)c2C(NCCNC(=O)c3ccccc3OC)=N1,0.0
16969,CO-ADD:0278597,10.01,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)Nc2nnc(C)s2,0.0
16970,CO-ADD:0277317,10.01,C(C)(C(F)(F)F)(C(F)(F)F)C(=O)Nc1nnc(SCC)s1,0.0
16971,CO-ADD:0277645,10.01,N(CCN1S(=O)(=O)c2ccc(cc2)C)(C1c3ccc(c(OC)c3)O)S(=O)(=O)c4ccc(cc4)C,0.0
16972,CO-ADD:0258072,10.01,c1(c2ccco2)nc(n3c1\N=C\c(cc(Cl)cc4Cl)c4O)cccc3,0.0
16973,CO-ADD:0257912,10.01,c1(Nc(ccc(c2F)C)c2)c(cc(cc1[N+](=O)[O-])C(=O)Nc3cccc(Cl)c3)[N+](=O)[O-],0.0
16974,CO-ADD:0257928,10.01,N1(c2ccc(c3c2)OCO3)C(=O)C4C(C1=O)C(C(=O)C45c6ccccc6)(c7ccccc7)C(=C5c8ccc(cc8)OC)c9ccc(cc9)OC,0.0
16975,CO-ADD:0257625,10.01,N12C(S\C(=C\c(cc3Br)cc(c3OCC=C)Br)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
16976,CO-ADD:0257345,10.01,N1(c2ccc(cc2)OC)C(=O)\C(=C\c3ccccc3OC)\C(NC1=S)=O,0.0
16977,CO-ADD:0259699,10.01,C1(C(=O)Nc2ccc(cn2)Cl)C(C1(Cl)Cl)c3ccccc3,0.0
16978,CO-ADD:0259652,10.01,c1(C(OCC)=O)c(C)c(c(C)[nH]1)\C=N\O,0.0
16979,CO-ADD:0259992,10.01,C(/C#N)(=C/c(ccc(c12)OCO1)c2)\C(=O)Nc3ccccc3C,0.0
16980,CO-ADD:0259553,10.01,C(=N\c1cc(C)ccc1C)(/SC(C2=O)CC(=O)Nc(cc3)ccc3C(O)=O)\N2C,0.0
16981,CO-ADD:0260209,10.01,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc(cc2)ccn2)c3ccc(cc3OC)OC,0.0
16982,CO-ADD:0257431,10.01,N1(c(cc2)ccc2C(O)=O)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(cc4)ccc4C(O)=O,0.0
16983,CO-ADD:0291905,10.01,C(=O)(c1ccc(cc1)OC(C)=O)N2CCCCCC2,0.0
16984,CO-ADD:0291969,10.01,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)COc4sc(c5n4)cccc5)cc(cc3C)C,0.0
16985,CO-ADD:0249248,10.0,C(/c(cc1)ccc1N(C)C)(\c(cc2)ccc2N(C)C)=N/O,0.0
16986,CO-ADD:0249759,10.0,n1(nnc(C(=O)N\N=C\c2c(cccc2Cl)F)c1c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
16987,CO-ADD:0247808,10.0,C(=O)(CN(Cc1ccccc1)Cc2ccccc2)N\N=C\c(cc3)ccc3OC,0.0
16988,CO-ADD:0249509,10.0,C(=C\c(cc1)ccc1OCCCCCCCC)(/C=C(O2)c3ccccc3)\C2=O,0.0
16989,CO-ADD:0249359,10.0,N1(c(cccc2N3C(=O)c(c4C3=O)ccc(c4)C(=O)Nc(cccc5C#C)c5)n2)C(=O)c(c6C1=O)ccc(c6)C(=O)Nc(cccc7C#C)c7,0.0
16990,CO-ADD:0252816,10.0,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCc4c(cccc4F)F)N3c5ccccc5,0.0
16991,CO-ADD:0284347,10.0,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)sc(c3n1)cccc3,0.0
16992,CO-ADD:0284363,10.0,C(C(C#N)C#N)(C#N)(C#N)C1CCCC1=O,0.0
16993,CO-ADD:0283805,10.0,C1(C)(C(=O)Nc2sc(c3n2)cccc3)CC1(Br)Br,0.0
16994,CO-ADD:0284437,10.0,C(C(C)=O)(C1c2ccccc2F)=C(O)C(N1C)=O,0.0
16995,CO-ADD:0283806,10.0,C1(C)(CC1(Br)Br)C(=O)n2c3c(nc2)cccc3,0.0
16996,CO-ADD:0284407,10.0,c1(nn(cc1[N+](=O)[O-])C)C(=O)n(c2c(c3C(OC)=O)cccc2)c3,0.0
16997,CO-ADD:0257474,10.0,c1(cc(\C=N\Nc2nncn2N)c(cc1N(CC3)CCO3)N(CC4)CCO4)[N+](=O)[O-].Cl.Cl,0.0
16998,CO-ADD:0257954,10.0,C(=O)(c1ccc(cc1)Br)N(CC2)CCN2CCNC(=O)C(=O)Nc(ccc(c3Cl)C)c3,0.0
16999,CO-ADD:0257459,10.0,N1(CN(CC2C)CC(O2)C)C(=O)C=CC(O)=N1,0.0
17000,CO-ADD:0258019,10.0,c1(cc(Br)ccc1OC(c2ccccc2)=O)C(=S)N3CCCCC3,0.0
17001,CO-ADD:0257388,10.0,c1(N\N=C/c(ccc2c3ccccc3[N+](=O)[O-])o2)nncn1N.Cl.Cl,0.0
17002,CO-ADD:0257492,10.0,C1(C(=O)OCc(ccc(c23)OCO2)c3)=C(C)NC(=O)NC1c4ccc(cc4)O,0.0
17003,CO-ADD:0277525,10.0,c1(SCC(=O)Nc(ccc(c2s3)nc3SCc(cc4)ccc4C(C)(C)C)c2)sc5c(ccc(OCC)c5)n1,0.0
17004,CO-ADD:0278776,10.0,n1(c(cc(C)cc2C)c2n3)c3S\C(=C\c(ccc(c4OCC)OCc(cc5)ccc5Cl)c4)\C1=O,0.0
17005,CO-ADD:0277311,10.0,c1(C(OCC)=O)c2c(n(CCCC)c1C)ccc(O)c2CN3CCCCC3,0.0
17006,CO-ADD:0277351,9.99,c1(C(=O)NNC(=O)c2c(C)onc2c3ccccc3Cl)c(Cl)c4c(cccc4)s1,0.0
17007,CO-ADD:0283073,9.99,N1(C)C(=O)\C(\SC1=O)=C/c(cc(n2c3ccc(cc3)F)C)c2C,0.0
17008,CO-ADD:0278976,9.99,c1(c2ccccc2Cl)noc(C)c1C(=O)NNC(=O)c3ccc(cc3)F,0.0
17009,CO-ADD:0257559,9.99,C1(N(CC2)CCN2C(OCC)=O)=CC(OC13CCCCC3)=O,0.0
17010,CO-ADD:0257981,9.99,C(=O)(OC(C)(C)C)NC(C)C(=O)Nc1ccc(cc1C)I,0.0
17011,CO-ADD:0259645,9.99,C(/C#N)(=C/c1ccc(cc1Cl)Cl)\C(=O)Nc2cccc(C)c2,0.0
17012,CO-ADD:0259725,9.99,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(ccc4c5ccccc5[N+](=O)[O-])o4)nc(Nc(cc6)ccc6C)n1,0.0
17013,CO-ADD:0259869,9.99,C(/c(cccc1)c1CC23CCCCC2)(=N\c4cc(Cl)cc(Cl)c4)\N3,0.0
17014,CO-ADD:0259910,9.99,[N+](=O)([O-])c1ccccc1N\N=C(/C(C)=O)\Sc2cccc(cccn3)c23,0.0
17015,CO-ADD:0291151,9.99,c1(C2c3ccccc3F)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
17016,CO-ADD:0290960,9.99,n1(c(C)ncc1[N+](=O)[O-])S(=O)(=O)c2ccc(c(OC)c2)OC,0.0
17017,CO-ADD:0290864,9.99,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc4c5ccccc5F)o4)\C1=O,0.0
17018,CO-ADD:0291066,9.99,S(=O)(=O)(N1CCCCC1C)c2c(OC)cc(c(OC)c2)Cl,0.0
17019,CO-ADD:0291124,9.99,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OC(C)=O)OC,0.0
17020,CO-ADD:0291069,9.99,c12c(nc(c3cccs3)cc1C(F)(F)F)sc(c(cc(O)n4)O)c24,0.0
17021,CO-ADD:0252889,9.99,N1(c2cccc(c2)C(OC)=O)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
17022,CO-ADD:0254854,9.99,N12C(S\C(=C\c(cc3)ccc3Cl)\C1=O)=C(C(c4ccc(cc4)Cl)C(C(OC)=O)=C2N)C(OCC)=O,0.0
17023,CO-ADD:0249259,9.99,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Br)SC(=NN2c(cc6)ccc6[N+](=O)[O-])C(C)=O,0.0
17024,CO-ADD:0252355,9.99,c1(C2=O)c(ccc(N(CC)CCN)c1)C(NN2)=O,0.0
17025,CO-ADD:0247701,9.99,c(C#N)(c1c2ccccc2)c(\N=C\c(cc3)ccc3OCc(cc4)ccc4Br)oc1c5ccccc5,0.0
17026,CO-ADD:0247345,9.99,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(cc3)ccc3OCc4ccc(cc4Cl)Cl)\N2c5ccccc5,0.0
17027,CO-ADD:0284328,9.99,S1(=O)(=O)c(cccc2)c2C(N(CCOC(c3ccccc3)=O)\N=C\c(cc4)ccc4OC)=N1,0.0
17028,CO-ADD:0284525,9.99,c1(SC(CC)C(=O)Nc2ccc(cn2)Cl)nccn1C,0.0
17029,CO-ADD:0284174,9.99,C(C1c2ccccc2)(=C(C3CC3)OC(N)=C1C#N)n(cnc4[N+](=O)[O-])n4,0.0
17030,CO-ADD:0283678,9.98,N1(c2ccc(cc2)OCCCC)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
17031,CO-ADD:0283599,9.98,c1(C2=O)c(sc3c1CCC(C3)C(C)(C)C)N=C(SCC(=O)Nc(cc4)ccc4F)N2c5ccccc5,0.0
17032,CO-ADD:0278911,9.98,N1(C(OCC)=O)N=C(CC1(O)c(cccn2)c2)C,0.0
17033,CO-ADD:0257782,9.98,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C/c3c(OC)ccc(cccc4)c34)\N2,0.0
17034,CO-ADD:0258040,9.98,N(C1)(C=NNC1=O)c2ccc(c(C)c2)C,0.0
17035,CO-ADD:0284507,9.98,c1(C(=O)c(cc2)ccc2c(cc3)ccc3C(=O)c4sc5c(c(C)cc(C)n5)c4N)sc6c(c(C)cc(C)n6)c1N,0.0
17036,CO-ADD:0284188,9.98,N1(COC(CSc(nnc(c23)c4c(cccc4)n2CCc5ccccc5)n3)=O)C(=O)c6c(cccc6)C1=O,0.0
17037,CO-ADD:0283244,9.98,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cccc3[N+](=O)[O-])c3)c4sc(c5c4C(OCC)=O)CCCC5,0.0
17038,CO-ADD:0284674,9.98,C1(C#N)(\C(=N\Br)\O2)C(C#N)(C#N)C2(CC1(C)C)C,0.0
17039,CO-ADD:0283084,9.98,[N+](=O)([O-])c(cc1)cc(c1C(=O)O\N=C(/N)\c(cc2)ccc2[N+](=O)[O-])Cl,0.0
17040,CO-ADD:0278578,9.98,C(/C#N)(=C/c(cc1)ccc1Br)\C(=O)Nc2cc(C)ccc2C,0.0
17041,CO-ADD:0278260,9.98,c1(Sc2ccc(\C=N\NC(c(cc3)ccn3)=O)o2)nnc(c4ccccc4)n1c5ccccc5,0.0
17042,CO-ADD:0278281,9.98,C1(C(=O)Nc(cc2)ccc2F)C(C(O)=O)C(\C(=C(/C)\C)\C13)C=C3,0.0
17043,CO-ADD:0283256,9.98,c1(scc(c(cc2)ccc2C3CCCCC3)n1)NC(CSc4[nH]cc(c5ccccc5)n4)=O,0.0
17044,CO-ADD:0284498,9.98,c12c(nnc(SCC(=O)Nc3cccc(cccc4)c34)n1)c5c(cccc5)n2CC=C,0.0
17045,CO-ADD:0277505,9.98,c12c(n(c(SCc(cc3)ccc3Cl)n1)C)C(N(C)C(=O)N2C)=O,0.0
17046,CO-ADD:0284331,9.98,C(=O)(C(C)Oc1ccc(cc1C)Cl)N\N=C(\CCCCC2)/C2,0.0
17047,CO-ADD:0259712,9.98,N1(C2c3cccs3)C(S\C(=C\c4cc(Cl)cc(Cl)c4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
17048,CO-ADD:0259721,9.98,c1(cc(ccc1N(CC2)CCN2C)[N+](=O)[O-])C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
17049,CO-ADD:0257667,9.98,C(NCCC(C)C)(=O)C(NCCCCCC)=O,0.0
17050,CO-ADD:0259241,9.98,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2ccc(cc2)Cl,0.0
17051,CO-ADD:0259458,9.98,N1(C)C(=O)\C(\N(C)C1=S)=C/c(ccc(c2OC)O)c2,0.0
17052,CO-ADD:0283444,9.98,C1(=O)Nc(c2C1(CC(C)=O)C(C#N)C#N)cccc2,0.0
17053,CO-ADD:0288776,9.98,C12(OCCC(C1)NS(=O)(=O)c3cccc(C)c3)CCN(CC2)C(c(c4)oc([N+](=O)[O-])c4)=O,0.0
17054,CO-ADD:0288608,9.98,C(=O)(OC(C)(C)C)N(CC1)CC(C1)Cn2c(C)cnc2c(ccn3)cc3,0.0
17055,CO-ADD:0288968,9.98,C1(=NC(C2)C)N2c(ccc(c3)[N+](=O)[O-])c3Oc(cccc4)c14,0.0
17056,CO-ADD:0288992,9.98,N1(OC)C(=O)c2c(Oc(cc3[N+](=O)[O-])c1nc3)cccc2,0.0
17057,CO-ADD:0249237,9.98,C(=O)(c1cccc(F)c1)Nc(cc2)cc(c23)ccc(C)n3,0.0
17058,CO-ADD:0254347,9.98,C(=O)(CSc1ccccn1)c2ccc(cc2)OC,0.0
17059,CO-ADD:0247435,9.97,C1(c2ccccc2Cl)(Nc(c34)ccc(Cl)c3)C4(c5ccccc5Cl)Nc(ccc(Cl)c6)c16,0.0
17060,CO-ADD:0255123,9.97,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)NC(C)(C)C,0.0
17061,CO-ADD:0255057,9.97,n1c(c2ccc(cc2)C)csc1Nc3c(OC)cc(c(OC)c3)Cl.Br,0.0
17062,CO-ADD:0254345,9.97,n1(c2ccccc2)nnnc1SCC(c3ccccc3)=O,0.0
17063,CO-ADD:0247488,9.97,n1(C(=O)c(cc2)ccc2C(=O)n3c4c(c(cccc5)c35)cccc4)c6c(c(cccc7)c17)cccc6,0.0
17064,CO-ADD:0249614,9.97,C12(\C=N/c3ccccc3CC)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OC)=O)c(cccc7)c27,0.0
17065,CO-ADD:0253045,9.97,c(cc(cc1C(O)=O)[N+](=O)[O-])([N+](=O)[O-])c1N(CC2)CCN2CCO,0.0
17066,CO-ADD:0252411,9.97,N1(C2c3ccccc3)C(S\C(=C\c(ccc(c4OC)OCc5cccc(cccc6)c56)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
17067,CO-ADD:0252537,9.97,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc4OC)cc(c4OCC=C)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
17068,CO-ADD:0252532,9.97,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc4Br)cc(c4OCc5ccccc5)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
17069,CO-ADD:0284193,9.97,N12C(=NCC1)SC=C2c3ccc(cc3)F.Br,0.0
17070,CO-ADD:0283617,9.97,N1(c2ccc(c(Cl)c2)F)C=Nc(c3C1=O)cccc3,0.0
17071,CO-ADD:0283241,9.97,C(C(OCC)=O)(C1c2ccc(cc2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
17072,CO-ADD:0278369,9.97,N(CC1)(CCN1CCC#N)c2ccc(cc2F)\C(\C)=N\Nc(cc3)ccc3F,0.0
17073,CO-ADD:0283060,9.97,C(=O)(N\N=C\c(cc1)ccc1Cl)C(=O)NCC(C)C,0.0
17074,CO-ADD:0284028,9.97,n12c(S\C(=C/c3cc(Cl)ccc3OCc4c(cccc4F)Cl)\C1=O)nc(cc(C)c(C)c5)c25,0.0
17075,CO-ADD:0257261,9.97,N1(c2ccc(cc2)I)C(=O)\C(\SC1=S)=C\c(ccc3c4c(Br)ccc(c4)[N+](=O)[O-])o3,0.0
17076,CO-ADD:0257565,9.97,N(CO)(C1=O)C2C(N1C)N(C(=O)N2CO)C,0.0
17077,CO-ADD:0259927,9.97,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)Nc(cccc2C(=O)c3ccc(c(C)c3)C)c2,0.0
17078,CO-ADD:0257702,9.97,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3cccs3)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
17079,CO-ADD:0257255,9.97,n1(nnc(C(OCC)=O)c1COc2c(F)c(F)c(c(F)c2F)F)c3nonc3N,0.0
17080,CO-ADD:0258143,9.97,C1(C(=O)OCc(cc2)ccc2C)=C(C)NC(NC1c3cccc(Cl)c3)=O,0.0
17081,CO-ADD:0283972,9.97,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4ccc(c(OCC)c4)OC(C)=O,0.0
17082,CO-ADD:0279197,9.97,N1(C(=O)Cc(cc2)ccc2[N+](=O)[O-])N=C(CC1(O)c(cccn3)c3)C,0.0
17083,CO-ADD:0284162,9.97,N1(c(cccc2C(=O)N\N=C\c3ccc(cc3O)O)c2)Cc(c4C1)cccc4,0.0
17084,CO-ADD:0257860,9.97,c1(nc(c2n1CC(=O)N\N=C\c(ccc3c(cc4)c(C)c(c4[N+](=O)[O-])C)o3)cccc2)c5nonc5N,0.0
17085,CO-ADD:0258416,9.97,c(cc(Br)c(c1)OC)(\C=N\c2ccccc2)c1OC,0.0
17086,CO-ADD:0258993,9.97,C1(=O)N(C)c2c(cc(cc2)\C=N\N=C(/SCC3=O)\N3)N1C,0.0
17087,CO-ADD:0283407,9.97,N1(CNc(cc2)ccc2Cl)N=C(OC1=S)c3ccc(cc3)C,0.0
17088,CO-ADD:0258066,9.96,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c4ccccc4Cl)\C1=O,0.0
17089,CO-ADD:0257291,9.96,C(=O)(NCc1ccccc1OC)C(NCCC)=O,0.0
17090,CO-ADD:0257365,9.96,C(=C\c1ccccc1OC(c2ccccc2)=O)(/C3=O)\C(=O)N(C(=O)N3[H])[H],0.0
17091,CO-ADD:0249324,9.96,C(/c(cccc1Cl)c1N2)(=N\c3ccccc3Cl)\C2=O,0.0
17092,CO-ADD:0248928,9.96,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2)ccn2)n3c(c4c(cc3)cccc4)c1S(CCC)(=O)=O,0.0
17093,CO-ADD:0254669,9.96,C(c1ccccc1)(CC2)(CCN2CCC(=O)Nc(cc3)ccc3OCc4ccccc4)C(OCC)=O,0.0
17094,CO-ADD:0249678,9.96,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(c(cccc2)c2n3Cc4ccccc4)c3,0.0
17095,CO-ADD:0249594,9.96,N1(c2ccccc2C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C(OC)=O)=C1N)c4ccc(c5c4)OCO5,0.0
17096,CO-ADD:0249580,9.96,c1(SCC(NCCCC)=O)sc2c(ccc(c2)\N=C\c3c(cccc3Cl)Cl)n1,0.0
17097,CO-ADD:0254320,9.96,N1(c2ccccc2)\C(=N\N=C\c(cc3)ccc3OC)\SC(CC(O)=O)C1=O,0.0
17098,CO-ADD:0252648,9.96,N(/c(cc1)c(C)cc1c2ccc(c(C)c2)\N=C\c3ccccc3F)=C\c4ccccc4F,0.0
17099,CO-ADD:0249725,9.96,c1(\C=N\NC(COc(cc2)ccc2I)=O)c(cccc1Cl)F,0.0
17100,CO-ADD:0249463,9.96,C1(=Cc(cc(Br)cc2Br)c2OC1=O)c3csc(N\N=C(/C)\c4ccccc4)n3,0.0
17101,CO-ADD:0255051,9.96,C1(C(OC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCC(=O)N3CCCCCC3,0.0
17102,CO-ADD:0248957,9.96,N1(c2ccc(cc2)Oc(cc3)ccc3N4C(=O)c(c5C4=O)ccc(c5)C(=O)Nc6cccc(I)c6)C(=O)c(c7C1=O)ccc(c7)C(=O)Nc8cccc(I)c8,0.0
17103,CO-ADD:0249291,9.96,N1(C)C(=O)\C(\SC1=S)=C/c(cc2)cc(c2OC(=O)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])OCC,0.0
17104,CO-ADD:0252742,9.96,C(/S1)(=N/c2ccc(cn2)Br)\C(Cl)=NS1,0.0
17105,CO-ADD:0247918,9.96,c1(C#N)c2c(sc1\N=C\c3cc(Br)ccc3OCc4ccc(cc4Cl)Cl)CCCC2,0.0
17106,CO-ADD:0249277,9.96,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
17107,CO-ADD:0254877,9.96,n1(c2c(n3)cccc2)c3S\C(=C/c4cc(Br)ccc4OC)\C1=O,0.0
17108,CO-ADD:0222138,9.96,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c(cc(Br)cc5[N+](=O)[O-])c5O,0.0
17109,CO-ADD:0221477,9.96,N1(CNc2ccccc2Cl)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
17110,CO-ADD:0278452,9.96,N(CC1)([C@]([H])(CCCC2)[C@]2(C1(O)c3ccccc3)[H])C(c4ccccc4)=O,0.0
17111,CO-ADD:0278460,9.96,c1(C(=O)c2ccc(cc2)OC)sc3c(c(C)cc(C)n3)c1N,0.0
17112,CO-ADD:0283165,9.96,C(C(=O)OCC1CCCO1)(C2c(cc3)ccn3)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
17113,CO-ADD:0283143,9.96,C(NCc(cc1)ccc1OC)(C2)(C3)CN(C4)CN2CN34,0.0
17114,CO-ADD:0284056,9.96,c1(nnc(SCCC)s1)NC(=O)c2ccc(cc2)F,0.0
17115,CO-ADD:0278391,9.96,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c(cccc4C(F)(F)F)c4)\SC=C1c5ccc(cc5)F.Br,0.0
17116,CO-ADD:0257855,9.96,C(=N/c1cccc(Cl)c1Cl)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4ccccc4C#N)\N2,0.0
17117,CO-ADD:0257952,9.96,n1c(cc(C)c(c2)C)c2n3c1CCC3,0.0
17118,CO-ADD:0278898,9.95,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(c(cccc3)c3n4Cc5ccc(cc5Cl)Cl)c4)\N2c6ccccc6,0.0
17119,CO-ADD:0278555,9.95,N(CCN1C(c2ccccc2)=O)(C(c3ccccc3)=O)C1c(cc4)ccc4N(CC)CC,0.0
17120,CO-ADD:0277651,9.95,N1C(=O)C(C)=NN=C1SC(CC)C(=O)Nc2ccc(cn2)Cl,0.0
17121,CO-ADD:0277534,9.95,N1(c(ccc(c2s3)nc3SCC(=O)c4ccc(c5c4)cccc5)c2)C(=O)c6c(cccc6)C1=O,0.0
17122,CO-ADD:0260082,9.95,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc4c5ccccc5C(O)=O)o4,0.0
17123,CO-ADD:0259803,9.95,C1(C(OCCCCCCC)=O)=C(C)NC(NC1c2cc(OC)ccc2OC)=O,0.0
17124,CO-ADD:0259741,9.95,c12c(nnc(SC(CC)C(=O)Nc3nnc(C)s3)n1)c4c(cccc4)n2C,0.0
17125,CO-ADD:0278983,9.95,N1(c2cccc(c2)C(O)=O)C(=O)C3C(C(\C(=C(\c4ccccc4)/c5ccccc5)\C36)C=C6)C1=O,0.0
17126,CO-ADD:0283353,9.95,c1(C(OCC)=O)c(C)oc(cc(Br)c(O)c2)c12,0.0
17127,CO-ADD:0258065,9.95,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1\N=C\C=C\c3ccccc3,0.0
17128,CO-ADD:0257610,9.95,N1(C2c3cccs3)C(S\C(=C\c(ccc4c(ccc(c5C(O)=O)Cl)c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
17129,CO-ADD:0277771,9.95,C(=C/c(cc(n1c2ccc(cc2)Br)c3ccccc3)c1c4ccccc4)(/C(=O)N(C)C(N5C)=O)\C5=O,0.0
17130,CO-ADD:0277698,9.95,c1(OC(=O)C=C2C)c2cc(CC=C)c(O)c1C,0.0
17131,CO-ADD:0278187,9.95,C(C(OCC)=O)(=C1C)\C(=C\c2cccc(Cl)c2)\C(N1c3ccc(cc3)OC)=O,0.0
17132,CO-ADD:0278339,9.95,N1(c2cccc(Cl)c2Cl)C(=O)\C(=C\c(cc(n3c4ccc(c(Cl)c4)Cl)C)c3C)\C(NC1=S)=O,0.0
17133,CO-ADD:0257223,9.95,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3C(c4ccccc4)=O)C1=O,0.0
17134,CO-ADD:0252607,9.95,C1(O)(CC(=NN1C(=O)c2ccc(cc2)Cl)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.0
17135,CO-ADD:0249606,9.95,c1(c2)c(cc(OC)c2NC(COc(cc3)ccc3C4CCCCC4)=O)c5c(cccc5)o1,0.0
17136,CO-ADD:0249372,9.95,C(=O)(c1cccs1)NC2CCSC2=O,0.0
17137,CO-ADD:0247928,9.95,N1(C2c3ccccc3)C(S\C(=C\c4cc(I)cc(I)c4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
17138,CO-ADD:0254632,9.95,C1(NC(CSc2sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
17139,CO-ADD:0249576,9.95,N1(C(=O)c2ccccc2Br)N=C(CC1(O)C(C)(C)C)C(F)(F)F,0.0
17140,CO-ADD:0248837,9.95,c(c(Cl)c(Cl)c(c1C(CC(O2)c3ccccc3)=N2)Cl)(c1Cl)C(CC(O4)c5ccccc5)=N4,0.0
17141,CO-ADD:0254353,9.95,c1(N2CCC(CC2)C)nc(N\N=C\c(ccc(c34)OCO3)c4)nc(Nc5cccc(C)c5C)n1.Cl,0.0
17142,CO-ADD:0252549,9.95,C1(C(=O)Nc(cc2)ccc2OC)C3C1C(CC34)CC4,0.0
17143,CO-ADD:0252499,9.95,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(=O)c2ccc(cc2)Br,0.0
17144,CO-ADD:0252848,9.95,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(cccc6)c56,0.0
17145,CO-ADD:0247849,9.95,n1(Cc2ccccc2)nc(cc1\N=C\c(c(O)ccc3[N+](=O)[O-])c3)c4ccc(cc4)Br,0.0
17146,CO-ADD:0219070,9.95,c1(\C=N\NC(Cc(cc2)ccc2Cl)=O)c3c(cccc3)cc(cccc4)c14,0.0
17147,CO-ADD:0225180,9.95,N12C(C=CC(C(=O)NCc3ccccc3)=C1)=NN(CC(=O)Nc(cc4)ccc4C(OC)=O)C2=O,0.0
17148,CO-ADD:0225212,9.95,N1(c(cccc2)c2C(N3CCC(=O)NC4CCCCC4)=O)C3=NN(CC(N)=O)C1=O,0.0
17149,CO-ADD:0221473,9.94,S(=O)(=O)(Nc1ccc(cc1C)C)c2cccc3c2cccc3S(=O)(=O)Nc4ccc(cc4C)C,0.0
17150,CO-ADD:0222370,9.94,c1(oc(c2n1)cccc2)c3ccc(cc3O)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
17151,CO-ADD:0220229,9.94,C(F)(F)(C(F)(F)F)C(=O)NC(CCCC)C(=O)[O-].[Na+],0.0
17152,CO-ADD:0278423,9.94,C1(C#N)=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c3ccccc3OC,0.0
17153,CO-ADD:0277465,9.94,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)F)\N2CCc4ccccc4.Br,0.0
17154,CO-ADD:0277458,9.94,N1(C2c3ccccc3OC)C(S\C(=C\c(cc4)ccc4F)\C1=O)=NC(C)=C2C(OCC)=O,0.0
17155,CO-ADD:0283979,9.94,C(C(=O)OCC(C)C)(C1c(cc2)ccn2)=C(C)NC(CC(c3ccccc3)CC4=O)=C14,0.0
17156,CO-ADD:0278459,9.94,c(C(c1ccccc1)C(C#N)C#N)(c(C)[nH]n2)c2O,0.0
17157,CO-ADD:0284091,9.94,c1(C(OC)=O)cc(c2[nH]1)cccc2,0.0
17158,CO-ADD:0283603,9.94,C1(O)(CC(=O)c(ccc(c23)OCO2)c3)c4c(N(C)C1=O)cccc4,0.0
17159,CO-ADD:0278411,9.94,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c5c4C#N)CCCC5)c1Br,0.0
17160,CO-ADD:0279153,9.94,N1(c2ccc(cc2Br)Br)C(=O)CC(N3CCCC(C)C3)C1=O,0.0
17161,CO-ADD:0284130,9.94,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc4OC)cc(c4OC)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
17162,CO-ADD:0278197,9.94,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3OC(C(C)C)=O)=N1,0.0
17163,CO-ADD:0278277,9.94,c1(SCC(=O)NC2CC2)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
17164,CO-ADD:0283271,9.94,C1(c2ccc(cc2)CC)(c3ccc(cc3)CC)CC1C(=O)NCc4ccccc4,0.0
17165,CO-ADD:0283658,9.94,N1(c2ccc(c(Cl)c2)Cl)CC(CC1=O)C(O)=O,0.0
17166,CO-ADD:0258429,9.94,C(C(=O)c1ccc(cc1)Br)(C2c3ccccc3)=C(O)C(N2CC(O)=O)=O,0.0
17167,CO-ADD:0258858,9.94,C(COc1ccccc1)(NCCSc2ccccn2)=O,0.0
17168,CO-ADD:0257661,9.94,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)C)n(c(c3)c1S(CCC)(=O)=O)ccn3,0.0
17169,CO-ADD:0257270,9.94,c1(C(NC)c(cccc2[N+](=O)[O-])c2)nnnn1c3cccc(Cl)c3,0.0
17170,CO-ADD:0258667,9.94,S(C)(=O)(=O)N(c1ccc(cc1)OC)C(C)C(=O)N\N=C\c(ccc(c2OCC)OCc3cccc(Cl)c3)c2,0.0
17171,CO-ADD:0278071,9.94,C(C(OC)=O)(N(CCS1(=O)=O)C(C)=O)=C1c2ccccc2,0.0
17172,CO-ADD:0259349,9.93,C1(C(OCC)=O)=C(C)NC(NC1c2cc(Cl)cc(Cl)c2O)=O,0.0
17173,CO-ADD:0284666,9.93,c1(nonc1N)N(Cc2ccc(cc2C)C)N=Nc3nonc3N,0.0
17174,CO-ADD:0278229,9.93,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4C(C)C)c2)nnnn1C,0.0
17175,CO-ADD:0284838,9.93,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccccc1F)Nc2nc(cccc3)c3nc2C(F)(F)F,0.0
17176,CO-ADD:0249685,9.93,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)OCC(c3ccccc3)=O,0.0
17177,CO-ADD:0254369,9.93,C1(C(=O)Oc(cc2)ccc2Cl)=Cc(cc(Br)cc3Br)c3OC1=O,0.0
17178,CO-ADD:0249306,9.93,S(=O)(=O)(N(CC)CC)c1c(Br)ccc(c1)C(=O)Nc2ccc(cn2)Cl,0.0
17179,CO-ADD:0249761,9.93,n1(nnc(C(=O)N\N=C\c(cc2)ccn2)c1c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
17180,CO-ADD:0249447,9.93,c12c(nnc(N\N=C\c(cc3OC)cc(c3O)OC)n1)c(c4[nH]2)cccc4C,0.0
17181,CO-ADD:0249313,9.93,N1(c2ccccc2C)C(=O)C(C3(C)C1=O)C(CC34)C=C4,0.0
17182,CO-ADD:0254303,9.93,N(C(C)(C)C)(\C=C(\Cl)/Cl)C(=O)N\N=C\c(cc1)ccc1Cl,0.0
17183,CO-ADD:0226925,9.93,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cc(C)cc4C)c4)c(nn1)c5ccc(cc5)C,0.0
17184,CO-ADD:0254754,9.93,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc(c2)N(CC)CC)c2OCc3ccc(cc3Cl)Cl,0.0
17185,CO-ADD:0249061,9.93,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCN3c4ccccc4Cl)C1=O,0.0
17186,CO-ADD:0226347,9.93,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc4cccc(F)c4,0.0
17187,CO-ADD:0226313,9.93,N1(C2=O)C(C=C(N=C1Nc(cc3)ccc3F)C)=NN2CC(=O)Nc4ccc(cc4Cl)F,0.0
17188,CO-ADD:0225906,9.93,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc4ccccc4)C2=O,0.0
17189,CO-ADD:0226199,9.93,N12C(C=CC(=C1)S(=O)(=O)N3CCCCCC3)=NN(Cc4ccccc4F)C2=O,0.0
17190,CO-ADD:0225426,9.93,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(cc5)ccc5CC)=O,0.0
17191,CO-ADD:0284115,9.93,c(SCC(OCC)=O)(c1c([nH]2)cccc1)c2C,0.0
17192,CO-ADD:0279156,9.93,C(C(=O)OC(C)C)(C1c(cc2)ccn2)=C(C)NC(CC(c3ccccc3)CC4=O)=C14,0.0
17193,CO-ADD:0284086,9.93,n(cc1)ccc1CCNc(cc2)ccc2OCc3ccccc3,0.0
17194,CO-ADD:0278973,9.93,C(=O)(C(c1ccccc1)c2ccccc2)NC(C(C)C)C(=O)Nc(ccc(c3C)C)c3,0.0
17195,CO-ADD:0278966,9.93,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)NC(C)C)c2cc(C)cc(C)c2,0.0
17196,CO-ADD:0284181,9.92,c1(sc(c2n1)cccc2)NC(=O)C3CC=CCC3C(=O)OCC(F)(F)C(F)F,0.0
17197,CO-ADD:0283653,9.92,S(=O)(=O)(c(ccc(c1C(=O)Nc2nncs2)Cl)c1)N(CC3)CCO3,0.0
17198,CO-ADD:0283661,9.92,c1(c(C)nn(c2cccc(Cl)c2)c1O)C(CC(N3c4ccccc4)=O)C3=O,0.0
17199,CO-ADD:0277455,9.92,n1c(c2ccc(cc2)SC)[nH]c(c3c(cccc3)c(cccc4)c45)c15,0.0
17200,CO-ADD:0284830,9.92,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
17201,CO-ADD:0283946,9.92,n1(Cc2ccccc2)c(SCc3cc(Cl)ccc3Cl)nnc1c4ccccc4,0.0
17202,CO-ADD:0283218,9.92,C(C(C)=O)(C1c(cc2)ccc2C(C)C)=C(O)C(N1CCc3ccccc3)=O,0.0
17203,CO-ADD:0258867,9.92,c1(NC(CCCCC)=O)nnc(Cc(cc2)ccc2Cl)s1,0.0
17204,CO-ADD:0259196,9.92,N1(Cc2ccccc2)C(=S)SC(C)(C)C1\[N+](\[O-])=C\c(cc3)ccc3N(C)C,0.0
17205,CO-ADD:0258885,9.92,N(C(=O)\C(\S1)=C\c2cccc(OC)c2O)=C1N(CC3)CCO3,0.0
17206,CO-ADD:0259939,9.92,N1(CC2CCCO2)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(cc4)ccc4C(O)=O,0.0
17207,CO-ADD:0260043,9.92,c1(non2)c2nc(Nc3cccc(C)c3)c(Nc4c(OC)ccc(OC)c4)n1,0.0
17208,CO-ADD:0259583,9.92,C(C1=O)(C23Br)C(C(N1c(ccc(c4C(O)=O)Cl)c4)=O)C(c(cccc5)c25)(c6c3cccc6)Br,0.0
17209,CO-ADD:0257662,9.92,c1(cc(ccc1C(O)=O)Oc(cc2)ccc2NC(=O)c(cccc3NC(=O)C(C)(C)C)c3)C(O)=O,0.0
17210,CO-ADD:0258476,9.92,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)\C(\SC1=S)=C\c(cccn3)c3,0.0
17211,CO-ADD:0257342,9.92,C(=O)(Nc1cccc(Br)c1)CCN(CC2)CCN2CCO,0.0
17212,CO-ADD:0259863,9.92,N1(C)C(=O)\C(\N(C)C1=S)=C\c(cn(n2)c3ccccc3)c2c4ccc(cc4)F,0.0
17213,CO-ADD:0258949,9.92,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCN3CCN\C=C(/C(=O)C4)\C(=O)CC4(C)C)C1=O,0.0
17214,CO-ADD:0284168,9.92,N12C(S\C(=C\c(cc3)ccc3SC)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)ccc4OC,0.0
17215,CO-ADD:0259640,9.92,N1=C(NC(C)=O)S\C(=C\c2cccc(cccc3)c23)\C1=O,0.0
17216,CO-ADD:0284612,9.92,C(=O)(C(CCCC)(CCCC)O)N(c1ccc(cc1)C)Nc(cc2)ccc2C,0.0
17217,CO-ADD:0226958,9.92,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cc4)ccc4C(OC)=O)c(nn1)C(C)C,0.0
17218,CO-ADD:0254693,9.92,c(C#N)(c(\C(\C#N)=C\c(ccc(c1[N+](=O)[O-])N2CCC(CC2)C)c1)nn3c4ccccc4)c3N,0.0
17219,CO-ADD:0226968,9.92,N(C1=O)(c(ccs2)c2C(N3CCC(C)C)=O)C3=NN1CC(=O)N4CCC(CC4)Cc5ccccc5,0.0
17220,CO-ADD:0254728,9.92,n1(nnc(C(OCC)=O)c1CSc(nnc(c23)c4c(cccc4)[nH]2)n3)c5nonc5N,0.0
17221,CO-ADD:0137555,9.92,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC=NC=C3)=O)C=C1C(NC4=CN(CCCN5CCOCC5)C(C(NCCN6CCOCC6)=O)=C4)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
17222,CO-ADD:0283328,9.92,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(ccc(c56)OCO5)c6)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
17223,CO-ADD:0278951,9.91,N1(Cc2ccccc2)C(=O)C(NC1=S)CCC(N)=O,0.0
17224,CO-ADD:0283947,9.91,n1(C(CSCC(=O)Nc2ccccc2)=O)c3c(c(CCCC4)c14)cccc3,0.0
17225,CO-ADD:0279005,9.91,N1(c2cccc(c2)C(=O)Nc3ccccc3C(O)=O)C(=O)c4c(cccc4)C1=O,0.0
17226,CO-ADD:0284670,9.91,c1(cc(c2o1)cccc2)C(=O)c3ccc(Br)s3,0.0
17227,CO-ADD:0284694,9.91,c1(SCc2ccc(c3c2cccc3)F)sc4c(ccc(c4)\N=C\c5ccccc5O)n1,0.0
17228,CO-ADD:0284738,9.91,C12(C#N)C(C#N)(C#N)C(OC1=N)(CC2c3ccccc3)C,0.0
17229,CO-ADD:0257745,9.91,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc4c(ccc(c5C(O)=O)Cl)c5)o4)\C1=O,0.0
17230,CO-ADD:0259731,9.91,c1(N(CC2)CCO2)nc(N\N=C/c(ccc3c4cccc(Cl)c4)o3)nc(Nc(cc5)ccc5F)n1,0.0
17231,CO-ADD:0257244,9.91,N1(C2c3ccc(cc3)OC)C(S\C(=C\c4ccc(cc4OC)OC)\C1=O)=NC(C)=C2C(C)=O,0.0
17232,CO-ADD:0284329,9.91,[N+](=O)([O-])c1cc(OC)ccc1c2ccc(o2)\C=C(/C#N)\C(OCC)=O,0.0
17233,CO-ADD:0283850,9.91,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(ccc(c2Cl)F)c2)c3ccccc3OC,0.0
17234,CO-ADD:0260091,9.91,C1(C(OCCCCCC)=O)=C(C)NC(NC1c2cccc(OCC)c2)=O,0.0
17235,CO-ADD:0259933,9.91,C1(=S)N(c2ccc(cc2)Cl)C3(\C(=N\c4ccccc4)\N1)CCCCC3,0.0
17236,CO-ADD:0259989,9.91,C(=O)(CN(CC1)CCN1C)Nc(cc2)ccc2C(OC)=O,0.0
17237,CO-ADD:0260101,9.91,C1(C(=O)OCC2CCCO2)=C(C)NC(NC1c3cc4c(cc3Br)OCO4)=O,0.0
17238,CO-ADD:0259750,9.91,c12c(nnc(SC(CC)C(=O)Nc3nnc(C)s3)n1)c4c(cccc4)n2CCC,0.0
17239,CO-ADD:0277660,9.91,c1(N(CC2)CCS2)nc(OC)nc(NCc(cccn3)c3)n1,0.0
17240,CO-ADD:0284269,9.91,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c3cccc(c3)OCc4cccc(cccc5)c45)\N2C6CCCCC6,0.0
17241,CO-ADD:0278491,9.91,c1(C2c3ccc(cc3)C)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
17242,CO-ADD:0258905,9.91,c1(cc(ccc1Sc2ncnc3c2[nH]cn3)C(OC)=O)[N+](=O)[O-],0.0
17243,CO-ADD:0278756,9.91,C(=C/c1ccccc1OCCO)(/C2=O)\C(=O)NC(=S)N2,0.0
17244,CO-ADD:0257497,9.91,c1(C#N)c(SCC(O)CN(CC2)CCS2)nc(cc1C(F)(F)F)c3cccs3,0.0
17245,CO-ADD:0259474,9.91,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)S1)=C\c3ccc(cc3Cl)Cl,0.0
17246,CO-ADD:0259586,9.91,N1(c(cc2)ccc2C(O)=O)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
17247,CO-ADD:0257325,9.91,N(\C(=C\c(ccc1c(ccc(c2C(O)=O)Cl)c2)o1)\C(O3)=O)=C3c4ccccc4,0.0
17248,CO-ADD:0225816,9.9,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc(cc4)ccc4Br)=O,0.0
17249,CO-ADD:0249757,9.9,n1(nnc(C(=O)N\N=C\c(cccn2)c2)c1c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
17250,CO-ADD:0225360,9.9,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)N(C)c5ccc(cc5)F,0.0
17251,CO-ADD:0254626,9.9,C(=O)(Nc(cc1)ccc1I)c(c2)cc(cc2NC(=O)C(C)(C)C)NC(=O)C(C)(C)C,0.0
17252,CO-ADD:0226144,9.9,S(=O)(=O)(N(c1ccc(cc1)Cl)Cc2ccccc2C)c3cccn(c(nn4)CC)c34,0.0
17253,CO-ADD:0249697,9.9,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(=O)N\N=C(/C)\c3cccs3,0.0
17254,CO-ADD:0284726,9.9,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c(cc3)c(F)cc3[N+](=O)[O-],0.0
17255,CO-ADD:0284734,9.9,c(C(=O)c1ccc(cc1)C)(c(C)c(c2c3C)cc4c3OC(C=C4C)=O)o2,0.0
17256,CO-ADD:0284800,9.9,c1(NC(=O)c2cc(c3o2)cccc3)sc(c4c1C(OCC)=O)CCCCCCCCCC4,0.0
17257,CO-ADD:0284928,9.9,c1(SCC(OCC(=O)NCc2ccccc2)=O)nc(c3ccccc3)cc(c4ccccc4)n1,0.0
17258,CO-ADD:0284881,9.9,C(=O)(c1cccc(c1)C#Cc2ccccc2)N(CC3)CCN3c(cccc4C(F)(F)F)c4,0.0
17259,CO-ADD:0284665,9.9,N1(c(ccc(c2s3)nc3SCC(=O)Nc4ccccc4OC)c2)C(=O)c5c(c6C1=O)c(ccc5)ccc6,0.0
17260,CO-ADD:0277406,9.9,C(=C/c(ccc1c(cccc2C(F)(F)F)c2)o1)(/C3=O)\C(=O)NC(=S)N3,0.0
17261,CO-ADD:0278691,9.9,N1(CN2CCc(c3C2)cccc3)C(=O)C=CC(O)=N1,0.0
17262,CO-ADD:0283693,9.9,C(C1(CCCCC1)O)#CBr,0.0
17263,CO-ADD:0283461,9.9,c1(cc(cc(SCc2ccccc2)c1CC(=O)Nc3ccccc3)[N+](=O)[O-])[N+](=O)[O-],0.0
17264,CO-ADD:0279046,9.9,c1(C(OC)=O)nc(sc1c2ccccc2)NNc(sc(c3C(OC)=O)c4ccccc4)n3,0.0
17265,CO-ADD:0277448,9.9,c1(c2c(sc1N)CCCC2)C(=O)Nc(cc(C)cc3C)c3,0.0
17266,CO-ADD:0260011,9.9,N(CC(=O)OCC(=O)c1ccc(cc1)OC)(C2=O)C(=O)C(C2C3(Br)c(c45)cccc4)C5(Br)c(c36)cccc6,0.0
17267,CO-ADD:0277839,9.9,C(CSc1cccc(cccn2)c12)(=O)N\N=C\c(cc3O)cc(c3)O,0.0
17268,CO-ADD:0260013,9.9,N(C(C(C)C)C(=O)OCC(=O)c1ccc(cc1)OC)(C2=O)C(=O)C(C2C3(Br)c4c5cccc4)C5(Br)c(c36)cccc6,0.0
17269,CO-ADD:0278074,9.9,c1(ccc(cc1F)F)C(=O)N(CC2)CCN2c(cc3C)c(F)cc3[N+](=O)[O-],0.0
17270,CO-ADD:0258671,9.9,N1(c2cccc(OC)c2)C(=O)C3C(C(\C(=C(/CCC4)\C4)\C35)C=C5)C1=O,0.0
17271,CO-ADD:0258943,9.9,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)S1)=C\c3ccccc3Br,0.0
17272,CO-ADD:0257513,9.9,N1(c2cccc(F)c2)C(=O)\C(\SC1=S)=C\c(ccc3c(cccc4[N+](=O)[O-])c4)o3,0.0
17273,CO-ADD:0257411,9.9,c1(NC(=O)Cc2cccc(cccc3)c23)sc(c(C)c1C(OCC)=O)C,0.0
17274,CO-ADD:0257507,9.9,S(=O)(=O)(N(CC(C)C)CC(C)C)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c2cc(ccc2N(CC3)CCO3)[N+](=O)[O-],0.0
17275,CO-ADD:0258304,9.9,C1(c2ccccc2)(Nc(cc3)ccc3c4ccccc4)C(=O)c5c(cccc5)C1=O,0.0
17276,CO-ADD:0258754,9.9,C1(C(OCC)=O)=C(C)N(C(=O)NC1c2ccccc2[N+](=O)[O-])C,0.0
17277,CO-ADD:0284810,9.9,c12c(c3c(CCCC3)s1)C(OC(c4ccc(cc4)Br)=N2)=O,0.0
17278,CO-ADD:0226187,9.9,S(=O)(=O)(N(Cc(cc1)ccc1C=C)c2cccc(Cl)c2)c3cccn(c(nn4)C)c34,0.0
17279,CO-ADD:0252823,9.9,N1(c2ccc(cc2)CCCC)C(c(cc3)ccc3C(C)C)Nc(c4C1=O)cccc4,0.0
17280,CO-ADD:0255022,9.9,c1(C)c(cccc1NC(CSC(N)=O)=O)Cl,0.0
17281,CO-ADD:0248058,9.9,c1(nonc1N)N(Cc(cc2)ccc2[N+](=O)[O-])N=Nc3nonc3N,0.0
17282,CO-ADD:0248030,9.9,C(c1ccccc1)(CC2)(CCN2CC(=O)Nc(cc3)ccc3C)C(OCC)=O,0.0
17283,CO-ADD:0225419,9.9,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(cc5)ccc5Cl)=O,0.0
17284,CO-ADD:0221446,9.89,S(=O)(=O)(Nc(cccc1[N+](=O)[O-])c1)c2cccc3c2cccc3S(=O)(=O)Nc(cccc4[N+](=O)[O-])c4,0.0
17285,CO-ADD:0221034,9.89,C(=O)(c1ccc(cc1)NC(CCCCC)=O)OC(CC2)CCC2C(C)(C)C,0.0
17286,CO-ADD:0283913,9.89,c(cc(nn1)c2n1CN3CCN(CC3)Cn4c5c(nn4)cccc5)cc2,0.0
17287,CO-ADD:0283961,9.89,n1(c2ccccc2)nnnc1SCc(cc3)ccc3C(O)=O,0.0
17288,CO-ADD:0278600,9.89,c(c(Br)c1)(c(Br)cc1C(=S)N(CC2)CCO2)OC(=O)c3ccc(cc3)OC,0.0
17289,CO-ADD:0278313,9.89,C1(=NC(=O)NC2=O)C2=Cc(cccc3)c3N1c4cccc(Cl)c4,0.0
17290,CO-ADD:0278329,9.89,c(c1c(Cl)cc2NC3CCCCC3)(c(c4c(C5=O)cccc4)on1)c25,0.0
17291,CO-ADD:0278761,9.89,C1(=S)NC(NN1c2ccc(cc2)C)(C)CCC(C)C,0.0
17292,CO-ADD:0283463,9.89,C1(C#N)=C(C=C(C)NC1=O)C(F)(F)F,0.0
17293,CO-ADD:0283775,9.89,C(/c(ccc(c12)OCO1)c2)(\N3CCCCC3)=N\OC(c4ccccc4)=O,0.0
17294,CO-ADD:0284655,9.89,n1(c(cc(C)cc2C)c2n3)c3S\C(=C\c(ccc4c5cccc(Cl)c5)o4)\C1=O,0.0
17295,CO-ADD:0284560,9.89,N1(c2cccc(c2)OC(=O)c(ccc(c3S(=O)(=O)N4CCC(CC4)C)C)c3)C(=O)c5c(cccc5)C1=O,0.0
17296,CO-ADD:0284576,9.89,S(=O)(=O)(N1CCCCC1)c(ccc(c2C(=O)Oc(cccn3)c3)Cl)c2,0.0
17297,CO-ADD:0284448,9.89,N1(c2ccc(cc2Br)Br)C(=O)CC(N(CC3C)CC(O3)C)C1=O,0.0
17298,CO-ADD:0258722,9.89,C12(c(cccc3)c3C(c4ccccc4)(c5ccccc5)S1)N(c6ccc(cc6)C)N=C(C(OCC)=O)S2,0.0
17299,CO-ADD:0258930,9.89,s1c(CCSc(cc2)ccc2Cl)nnc1N,0.0
17300,CO-ADD:0258899,9.89,C1(NC(CSc2nnc(COC)n2c3cccc(cccc4)c34)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
17301,CO-ADD:0259203,9.89,c1(OC(N)=C(C2c3cccc(F)c3)C#N)c2c(n[nH]1)C,0.0
17302,CO-ADD:0278033,9.89,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OCC)c4)OCc5ccccc5F,0.0
17303,CO-ADD:0278049,9.89,C(C1)(CC(C2)CC3CC12)(C3)C#CC(O)c4ccc(C)o4,0.0
17304,CO-ADD:0257484,9.89,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CCc(cc3)ccc3OC)C(CCC(O)=O)=O)C1=O,0.0
17305,CO-ADD:0257508,9.89,N1(CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
17306,CO-ADD:0257444,9.89,C(CN1CCCC1)#CC(O)c2ccccc2,0.0
17307,CO-ADD:0257548,9.89,c1(SCC(=O)Nc(cc2)cc(c2NC(CSc3oc(c4n3)cccc4)=O)Cl)oc(c5n1)cccc5,0.0
17308,CO-ADD:0257381,9.89,c1(N([H])c(cc2)ccc2OC)nc(N([H])\N=C\c3ccc(cc3Cl)Cl)nc(N([H])Cc4ccco4)n1,0.0
17309,CO-ADD:0284771,9.89,c1(C(=O)Nc2ccccn2)c3c(sc1NC(=O)c4ccc(cc4)C)CC(C)CC3,0.0
17310,CO-ADD:0284691,9.89,n(CC(=O)Nc(cccc1[N+](=O)[O-])c1)(c(C)nn2)n2,0.0
17311,CO-ADD:0284852,9.89,N1(C(=O)COc2ccccc2C)N=C(CC1(O)c(cccn3)c3)C,0.0
17312,CO-ADD:0134098,9.89,O=C(c1[nH]c([N+](=O)[O-])cn1)NCc2cccc(OC(F)(F)F)c2,0.0
17313,CO-ADD:0252190,9.89,c1(cc(C=O)c(cc1N2CCC(CC2)C)N3CCC(CC3)C)[N+](=O)[O-],0.0
17314,CO-ADD:0226963,9.89,c12n(c(nn1)SCC(=O)Nc3ccc(cc3Cl)F)c(c4C(=O)N2CC5CCCO5)ccs4,0.0
17315,CO-ADD:0254340,9.89,C(CSc1cccc(cccn2)c12)(=O)N\N=C\c3ccccc3OC,0.0
17316,CO-ADD:0252575,9.89,C(F)(F)(F)c(ccc(c1\N=C\c(cc(Cl)cc2Cl)c2O)Oc3ccccc3F)c1,0.0
17317,CO-ADD:0255122,9.89,S(=O)(=O)(N(c1ccccc1)CC(=O)NCc2ccco2)c3ccccc3[N+](=O)[O-],0.0
17318,CO-ADD:0221064,9.89,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
17319,CO-ADD:0221722,9.89,C(C(c1ccc(cc1)OCCCC)Nc(cc2)ccc2Br)C(=O)c3ccc(cc3)C,0.0
17320,CO-ADD:0221743,9.89,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\C=C\C,0.0
17321,CO-ADD:0225199,9.89,c12n(C=CN(Cc(cc3)ccc3F)C1=O)c(nn2)SCC(=O)NC(C)CC,0.0
17322,CO-ADD:0221056,9.89,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2ccco2,0.0
17323,CO-ADD:0278242,9.89,c12c(n(c(Oc(cccc3\C=C(\Sc4n5c6c(cccc6)n4)/C5=O)c3)n1)C)C(N(C)C(=O)N2C)=O,0.0
17324,CO-ADD:0277530,9.88,c1(SCC(=O)NC2CC2)sc3c(ccc(c3)NC(CSc4nnc(C)s4)=O)n1,0.0
17325,CO-ADD:0277554,9.88,C(=O)(Nc(cc1)ccc1OCCCCC)C(=O)NCc(cc2)ccc2Cl,0.0
17326,CO-ADD:0277971,9.88,C(=C/c1cccn1c(cc2)ccc2[N+](=O)[O-])(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
17327,CO-ADD:0284807,9.88,c1(NC(=O)c2cccc(Cl)c2)sc(c(C)c1C(OCC)=O)C,0.0
17328,CO-ADD:0284831,9.88,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)Cc4cccc(cccc5)c45)n1,0.0
17329,CO-ADD:0284281,9.88,c([N+](=O)[O-])(c(C)nn1C(=O)Cc(cc2)ccc2Cl)c1C,0.0
17330,CO-ADD:0284402,9.88,c1(sc2c3c(C)cc(C)n2)c3N=C(C)OC1=O,0.0
17331,CO-ADD:0284422,9.88,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2[N+](=O)[O-])CC(=O)N(CC3)CCN3c4ccccc4,0.0
17332,CO-ADD:0284041,9.88,c1(NC(=O)c2ccc(cc2)CSc(cc3)ccc3Cl)sc(c4c1C#N)CCCC4,0.0
17333,CO-ADD:0278489,9.88,c1(C2c3ccc(cc3)Br)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
17334,CO-ADD:0278138,9.88,C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)([N+](=O)[O-])c(nc(C([H])(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc1C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])n1,0.0
17335,CO-ADD:0277898,9.88,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)S\C(\NCC)=N\c(ccc(c3Cl)C)c3,0.0
17336,CO-ADD:0277364,9.88,C(/C#N)(=C/c(ccc1c(ccc(c2C(O)=O)Cl)c2)o1)\C(=O)Nc(ccc(c3C)C)c3,0.0
17337,CO-ADD:0277590,9.88,c1(cc(Br)cc(Br)c1O)C(=O)N\N=C\c(ccc2c(cccc3[N+](=O)[O-])c3)o2,0.0
17338,CO-ADD:0278024,9.88,c1(N(CC2)CCN2C(c3ccccc3)=O)[nH]c(c4n1)ncnc4N,0.0
17339,CO-ADD:0278168,9.88,c1(N2CCCCC2)nc(NNC(=O)c3ccc(cc3)C)cc(N4CCCCC4)n1,0.0
17340,CO-ADD:0258931,9.88,N1(c2ccccc2OC(CCCCCC)=O)C(=O)c3c(cc(cc3)Br)C1=O,0.0
17341,CO-ADD:0277451,9.88,c1(NC(c2ccc(cc2)Br)Sc3sc4c(ccc(OCC)c4)n3)sc(c5c1C#N)CCC5,0.0
17342,CO-ADD:0278201,9.88,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
17343,CO-ADD:0257355,9.87,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3ccccc3OCc4ccc(cc4Cl)Cl,0.0
17344,CO-ADD:0283229,9.87,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cc(OCO4)c4cc3[N+](=O)[O-],0.0
17345,CO-ADD:0259477,9.87,c12c(c3c(NC(c(cc4)ccn4)O1)cccc3)nnc(SCCC)n2,0.0
17346,CO-ADD:0284534,9.87,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(cc3)ccc3Cl)\C1=O)C,0.0
17347,CO-ADD:0135152,9.87,c1([N+]([O-])=O)nc(C(=O)NO)n(Cc2ccc(OC(F)(F)F)cc2)c1,0.0
17348,CO-ADD:0225833,9.87,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)Nc(cc4)ccc4Br)=O,0.0
17349,CO-ADD:0254525,9.87,C(C(OC)=O)(C1c2ccc(cc2)Cl)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
17350,CO-ADD:0226158,9.87,S(=O)(=O)(N(Cc1ccccc1)c2ccc(cc2)CC)c3cccn(c(nn4)C)c34,0.0
17351,CO-ADD:0226174,9.87,S(=O)(=O)(N(Cc1cccc(C)c1)c(cc2)ccc2C(C)C)c3cccn(c(nn4)C)c34,0.0
17352,CO-ADD:0137599,9.87,CN1C=C(NC(C2=CN=C(/C=C/C3=CC=C(N(C)C)C=C3)C=C2)=O)C=C1C(NC4=CN(C)C(C(NCCN5CCOCC5)=O)=C4)=O.OC(C(F)(F)F)=O,0.0
17353,CO-ADD:0283935,9.87,[N+](=O)([O-])c1ccccc1NC(CSc2sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n2)=O,0.0
17354,CO-ADD:0277692,9.87,N1(c2ccc(cc2)Cl)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4c(OC)ccc(OC)c4,0.0
17355,CO-ADD:0277756,9.87,C(/S\C(\C1=O)=C\C=C(\N(C)C(=C2c3ccccc3)c4ccccc4)/S2)(\N1CC)=C(/C(C)=NN5c6ccccc6)\C5=O,0.0
17356,CO-ADD:0277877,9.87,C(=N\OC(=O)c1ccco1)(/C(C)=C2)\C=C(C2=O)C,0.0
17357,CO-ADD:0277885,9.87,N1(CCCCCC(=O)[O-])C(C)(O)C(OC1=O)(C)CC\C=C(/C)\C.[Na+],0.0
17358,CO-ADD:0278119,9.87,c1(SCC(=O)Nc2ccc(cc2C)C)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
17359,CO-ADD:0283994,9.87,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4cccc(F)c4,0.0
17360,CO-ADD:0278722,9.87,N1(C(CCCCC)=O)c2c([C@]([H])(CN(C)CC3)[C@@]13[H])cc(C)cc2.Cl,0.0
17361,CO-ADD:0283532,9.87,C(=O)(c1cccc(c1)C#Cc2ccccc2)N(CC3)CCN3c4ccccn4,0.0
17362,CO-ADD:0283439,9.87,n1c2c(sc1c3ccc(cc3)NCc(cc4)ccn4)ccc(C)c2,0.0
17363,CO-ADD:0283464,9.87,C(C(OCC)=O)(=CN(CC)c(c1c2)cc(c2[N+](=O)[O-])Cl)C1=O,0.0
17364,CO-ADD:0278695,9.87,C1(=C(C)C=C(N(CC(OC)=O)C1=O)C)[N+](=O)[O-],0.0
17365,CO-ADD:0278121,9.87,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N3CCSC3c4c5c(cccc5)cc(cccc6)c46,0.0
17366,CO-ADD:0277881,9.87,c1(c2ccco2)nc(c3)c(nc1c4ccco4)ccc3C(c5ccccc5)=O,0.0
17367,CO-ADD:0258886,9.87,n(NCc1ccccc1OCc(cc2)ccc2Cl)(cnn3)c3,0.0
17368,CO-ADD:0258934,9.87,N1(C(CCCCN2C(=O)C(C3C2=O)C(CC4)CC34)C(=O)OCC(=O)c(cccc5[N+](=O)[O-])c5)C(=O)C(C6C1=O)C7CC6CC7,0.0
17369,CO-ADD:0259198,9.87,C1(C#N)=C(N)OC(=C2C1c(cc3OC)cc(c3OC)OC)CCCC2=O,0.0
17370,CO-ADD:0258799,9.87,N1(c2ccc(cc2[N+](=O)[O-])Cl)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
17371,CO-ADD:0283162,9.87,C1(C(=O)OCC2CCCO2)=C(C)NC(=C3C1c4ccc(c(OC)c4)OC(C)=O)CCCC3=O,0.0
17372,CO-ADD:0277832,9.87,N12C(S\C(=C\c(ccc3c(cc4)ccc4C(O)=O)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(Br)c(cc5OC)OC,0.0
17373,CO-ADD:0257881,9.87,c1(C#N)c(C)c(sc1\N=C\c(c(cccc2)c2n3Cc4ccccc4)c3)C,0.0
17374,CO-ADD:0284057,9.87,N1(c(cc2)ccc2C(OC)=O)C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(\c5ccccc5)/c6ccccc6,0.0
17375,CO-ADD:0258449,9.87,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)OCC)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
17376,CO-ADD:0278617,9.87,c1(NC(=O)c2cnccn2)sc(c3c1C(OCC)=O)CCC3,0.0
17377,CO-ADD:0284472,9.87,c1(c2ccc(c3n2)cccc3)sc(c4n1)cccc4,0.0
17378,CO-ADD:0284177,9.87,N1(NC(C)=O)C(c2ccc(cc2)OC)Nc(c3C1=O)cccc3,0.0
17379,CO-ADD:0283649,9.87,S(=O)(=O)(Nc(cc1)ccc1F)c2c(OC)ccc(C(O)=O)c2,0.0
17380,CO-ADD:0255065,9.87,C1(C)(C)C(C1(C)C)C(=O)Nc2ccccc2F,0.0
17381,CO-ADD:0226919,9.86,n(c1c(cccc1)nc2SCC(=O)Nc(ccc(c34)OCO3)c4)(c(C(C)C)nn5)c25,0.0
17382,CO-ADD:0248943,9.86,c1(C(OCC)=O)c(cc(cc2)OS(=O)(=O)c3ccc(cc3)C)c2n(C)c1CN(CC4)CCO4.Cl,0.0
17383,CO-ADD:0225749,9.86,C1(=N2)N(C=CN=C1Sc3cccc(C)c3)C(N2CC(=O)N(CC4)CCN4c5ccccc5)=O,0.0
17384,CO-ADD:0254352,9.86,c1(N2CCC(CC2)C)nc(N\N=C\c3ccccc3)nc(Nc4cccc(C)c4C)n1.Cl,0.0
17385,CO-ADD:0249510,9.86,C(/C=C(O1)c2ccccc2)(\C1=O)=C\c3c4c(cccc4)cc(cccc5)c35,0.0
17386,CO-ADD:0225201,9.86,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)N(C)C,0.0
17387,CO-ADD:0226353,9.86,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)Nc4ccc(cc4F)F,0.0
17388,CO-ADD:0258620,9.86,C1(C(OCCOC)=O)=C(C)NC(=O)NC1c(cc2)ccc2N(C)C,0.0
17389,CO-ADD:0258628,9.86,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CSc3c(ccc(CC(C)C)n3)C#N,0.0
17390,CO-ADD:0284812,9.86,[C@H]1(C(=O)NNC(=S)NC(=O)c(cc2)ccc2c3ccccc3)C[C@@H]1c4ccccc4,0.0
17391,CO-ADD:0278031,9.86,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4OC)cc(c4O)OC)\C1=O,0.0
17392,CO-ADD:0277879,9.86,N1(c2ccccc2)C(=O)CC(N(CCCC3C(OCC)=O)C3)C1=O,0.0
17393,CO-ADD:0277711,9.86,c1(C#N)c2c(sc1\N=C\c(ccc(c3OC)OCC#N)c3)CCCC2,0.0
17394,CO-ADD:0277633,9.86,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
17395,CO-ADD:0277875,9.86,N1(c2ccc(cc2)Br)C(=O)CC(N(C)C(CC3)CCN3C)C1=O,0.0
17396,CO-ADD:0278068,9.86,C(/S\C(\N1Cc2ccccc2)=N/c(ccc3c4cccn3)c4)(\C1=O)=C(/Sc(c56)ccc(Cl)c5)\N6C,0.0
17397,CO-ADD:0283424,9.86,C(=C\c1ccccc1OCc(cc2)ccc2F)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
17398,CO-ADD:0283768,9.86,N(CCN1C(=O)c2ccc(cc2)C)(C(c3ccccc3)=O)C1c(cc4)ccc4N(CC)CC,0.0
17399,CO-ADD:0278647,9.86,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cccc(c4)OCc(ccc(c5Cl)Cl)c5,0.0
17400,CO-ADD:0278271,9.86,[N+](=O)([O-])c1ccccc1C(=O)Nc(ccc(c2s3)nc3SCc(cc4)ccc4Br)c2,0.0
17401,CO-ADD:0284290,9.86,S(C)(=O)(=O)N(Cc(cc1)ccc1C(NCCSc(cc2)ccc2Cl)=O)c3ccc(c(C)c3)C,0.0
17402,CO-ADD:0283129,9.86,C(/c(cccc1)c1CC23CCCCC2)(=C\c4ccc(c5n4)cccc5)\N3,0.0
17403,CO-ADD:0278028,9.86,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4OC)cc(c4OC5=O)S5)\C1=O,0.0
17404,CO-ADD:0277531,9.86,N1(c(ccc(c2s3)nc3SCC(NCCCC)=O)c2)C(=O)c(c4C1=O)cccc4,0.0
17405,CO-ADD:0277845,9.86,c([N+](=O)[O-])(cc(n1C(=O)c2ccc(cc2Cl)[N+](=O)[O-])C)n1,0.0
17406,CO-ADD:0259334,9.86,N1(c2ccc(cc2)C)C(=O)\C(=C\c(cc3OC)cc(c3OC)I)\C(NC1=S)=O,0.0
17407,CO-ADD:0259590,9.86,N1(C(c2ccc(cc2)Cl)CC(c3ccc(cc3)C)=N1)C(=N)SC(CC(N4c5ccc(c(Cl)c5)Cl)=O)C4=O,0.0
17408,CO-ADD:0259598,9.86,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(C)=O)n1,0.0
17409,CO-ADD:0283189,9.86,c1(\N=C\c(cc2Br)cc(c2O)Br)sc(c3c1C(OCC)=O)CCCC3,0.0
17410,CO-ADD:0278156,9.85,c1(NC(CSc(nnc(c23)c4c(cccc4)n2C)n3)=O)n(c5ccccc5)ncc1C(OCC)=O,0.0
17411,CO-ADD:0278732,9.85,n(C(C)=O)(c1SC)nc(n1)c(cc2)ccc2[N+](=O)[O-],0.0
17412,CO-ADD:0277965,9.85,C1(C2c3ccc(cc3)C)=C(CC(c4ccccc4)CC1=O)NC(C)=C2C#N,0.0
17413,CO-ADD:0260069,9.85,c1(c2c(sc1NC(=O)c3ccc(cc3)F)CCCC2)C(=O)Nc(ccc(c4C)C)c4,0.0
17414,CO-ADD:0283634,9.85,C12(CC3CC(CC(C3)C1)C2)C(=O)N4CCC(CC4)c5ccccc5,0.0
17415,CO-ADD:0260118,9.85,C(=N/c(cc1)ccc1F)(/SC=C2c3cc(C)ccc3C)\N2CCc(ccc(c4OC)OC)c4.Br,0.0
17416,CO-ADD:0260196,9.85,C12c(cccc3)c3C(C(CCC)C1C(=O)Nc(cc4)ccc4OCC)c(cccc5)c25,0.0
17417,CO-ADD:0278353,9.85,N(c1ccccc1C#N)(C(=O)C(C23)C(C)(C=C4)OC24C)C3=O,0.0
17418,CO-ADD:0249352,9.85,S(=O)(=O)(Oc(cc1)ccc1OCc2ccccc2)c3c(C(C)C)cc(cc3C(C)C)C(C)C,0.0
17419,CO-ADD:0225765,9.85,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc(cc4)ccc4C#N)=O,0.0
17420,CO-ADD:0225744,9.85,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc(ccc(c4Cl)OC)c4)=O,0.0
17421,CO-ADD:0249252,9.85,c1(SC)sc2c(ccc(c2)\N=C\c(cc3)ccc3[N+](=O)[O-])n1,0.0
17422,CO-ADD:0249714,9.85,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N/NC(=O)c3ccc(cc3)F)o1,0.0
17423,CO-ADD:0284828,9.85,C(C(c1ccccc1)=O)(C2c3ccc(cc3)OC)=C(O)C(N2CCCn(ccn4)c4)=O,0.0
17424,CO-ADD:0283900,9.85,N1(CCC)C(=O)\C(\SC1=S)=C\c(ccc2c(cc3)ccc3C(OCC)=O)o2,0.0
17425,CO-ADD:0283916,9.85,c1(c(O)ccc(cccc2)c12)CN(CC3)CCN3Cc(ccc(c45)OCO4)c5,0.0
17426,CO-ADD:0258336,9.85,c1(nnc(COc(cc2)ccc2C(C)(C)C)s1)NC(=O)c3cccs3,0.0
17427,CO-ADD:0258520,9.85,[N+](=O)([O-])c(ccc(c1\C=N\c(ccc(c2N3)NC3=O)c2)Cl)c1,0.0
17428,CO-ADD:0258648,9.85,c1(C(=O)c(cc2)ccc2[N+](=O)[O-])c(N)c(c3s1)ccc(C)n3,0.0
17429,CO-ADD:0277972,9.85,N(\C(=C/c1ccccc1O)\C(O2)=O)=C2c3ccc(cc3)Cl,0.0
17430,CO-ADD:0278132,9.85,c1(NC(CSc2ccccn2)=O)sc(c3c1C(OC)=O)CCC3,0.0
17431,CO-ADD:0259408,9.85,c1(N(CC2)CCO2)nc(N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])nc(NCc5ccccc5)n1.Cl,0.0
17432,CO-ADD:0277741,9.85,n(c1c2cccc1)c(c3ccc(cc3)Oc4ccccc4)c(n2)c5ccccc5,0.0
17433,CO-ADD:0259394,9.85,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C\c(cc(OCO3)c3c4)c4Cl,0.0
17434,CO-ADD:0260147,9.85,C(=O)(Nc(ccc(c1C)C)c1)C2C3CCCC2C3c4ccccc4,0.0
17435,CO-ADD:0283137,9.85,N1(CC(OCC)=O)\C(=N\c2ccccc2)\SC=C1c3ccc(cc3)CC.Br,0.0
17436,CO-ADD:0283169,9.85,C(=O)(Cc1cccs1)c2cccc(cccc3)c23,0.0
17437,CO-ADD:0283185,9.85,[n+]1([O-])onc(N=Nc(no[n+]2[O-])c2C(NCCC)=O)c1C(NCCC)=O,0.0
17438,CO-ADD:0284332,9.85,c1(C(OCC)=O)c2c(n(C)c1CSc3ccccc3)ccc(O)c2CN(CC4)CCO4,0.0
17439,CO-ADD:0284412,9.85,C1(C(OCC)=O)=C(CCl)NC(NC1c(ccc(c23)OCO2)c3)=O,0.0
17440,CO-ADD:0278506,9.85,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2ccccc2OC,0.0
17441,CO-ADD:0259265,9.85,N(\N=C\c(cc1)ccc1C)(C(=O)CN2C(C)C)C2c3ccc(cc3)C,0.0
17442,CO-ADD:0259572,9.85,C12(c(cccc3)c3C(c4ccc(cc4)C)(c5ccc(cc5)C)S1)N(c6cccc(Cl)c6)N=C(C(OCC)=O)S2,0.0
17443,CO-ADD:0259498,9.85,N(c1ccc(cc1)F)(C(c(cc2)ccc2N(C)C)C=C3Nc(cc4)ccc4F)C3=O,0.0
17444,CO-ADD:0258549,9.84,n1c(c2ccc(c(OC)c2)OCC(O)=O)[nH]c(c3ccccc3)c1c4ccccc4,0.0
17445,CO-ADD:0259611,9.84,c1(Oc(cc2)ccc2C)ccc(CN3CCCCC3)o1,0.0
17446,CO-ADD:0259300,9.84,C1(CCCCC1)(O)C(CCc(cc2)ccc2OC)=O,0.0
17447,CO-ADD:0283877,9.84,C(C(=O)OC(C)C)(C1c2ccc(cc2)O)=C(C)NC(CC(c3ccccc3)CC4=O)=C14,0.0
17448,CO-ADD:0284453,9.84,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4cccc(Br)c4)cccc3,0.0
17449,CO-ADD:0278062,9.84,c1(cc(cc(SCc2ccccc2)c1NC(OC)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
17450,CO-ADD:0283111,9.84,C12(c3c(cccc3)C(C(C1C4=O)C(N4c5ccc(cc5)OCCCC)=O)c(cccc6)c26)[N+](=O)[O-],0.0
17451,CO-ADD:0259831,9.84,C(C(OC)=O)(C1c(cc2)ccc2N(CC)CC)=C(C)NC(CC(c3ccccc3Cl)CC4=O)=C14,0.0
17452,CO-ADD:0278072,9.84,N1(CCSc2sc(c3n2)cccc3)C(=O)c(c4C1=O)cccc4,0.0
17453,CO-ADD:0279114,9.84,n(c1c2ccccc2)n(C(C)=O)cc1\C=C(\C3=O)/Sc(c34)cccc4,0.0
17454,CO-ADD:0279018,9.84,N1(C)C(=O)\C(\SC1=S)=C/c(ccc(c2OCC)OCc(cc3)ccc3F)c2,0.0
17455,CO-ADD:0279120,9.84,C(C(OCC)=O)(C1c2ccc(cc2)Br)=C(Nc3ccccc3)CC(C)(O)C1C(OCC)=O,0.0
17456,CO-ADD:0249303,9.84,C(=C\c1ccc(cc1OC)OC)(/C=C(O2)c3ccccc3)\C2=O,0.0
17457,CO-ADD:0249007,9.84,c1(SCC(=O)c2ccc(cc2)Cl)sc3c(ccc(N)c3)n1,0.0
17458,CO-ADD:0249400,9.84,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(cc(Br)cc3Br)c3OCC=C,0.0
17459,CO-ADD:0249334,9.84,c1(Sc2cc(Cl)ccc2[N+](=O)[O-])nncn1C,0.0
17460,CO-ADD:0249414,9.84,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3)cc(c3Oc4ccc(cc4[N+](=O)[O-])C(F)(F)F)OC,0.0
17461,CO-ADD:0249702,9.84,C1(C(=O)OC2CCCC(C)C2)=C(C)NC(NC1c(ccc(c34)OCO3)c4)=O,0.0
17462,CO-ADD:0221054,9.84,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2cccc(OC)c2,0.0
17463,CO-ADD:0219044,9.84,N(C(C)c1ccc(cc1)OC)C(CCc2ccccc2)=O,0.0
17464,CO-ADD:0221849,9.84,c1(\C(\CC2)=C\c3ccccc3)c2c(c4ccccc4)c(c(SCc5ccccc5)n1)C#N,0.0
17465,CO-ADD:0225838,9.84,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)Nc4cc(OC)cc(OC)c4)=O,0.0
17466,CO-ADD:0226339,9.84,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc(cc4)ccc4OC,0.0
17467,CO-ADD:0258660,9.84,N1(c(c2)cc(cc2C(OC)=O)C(OC)=O)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
17468,CO-ADD:0259101,9.84,N1(C(c2ccccc2)N(CC1=O)Cc3ccccc3)\N=C(/C)\c4ccccc4,0.0
17469,CO-ADD:0284891,9.84,c1(C(O)=O)cc(OC)c(cc1NC(COc(cc2)ccc2C(C)(C)C)=O)OC,0.0
17470,CO-ADD:0284915,9.84,C1(C(CO)C(c2ccccc2)=O)=Nc3c(cccc3)NC1=O,0.0
17471,CO-ADD:0283907,9.84,N1(CC(O)=O)C(=O)\C(\SC1=S)=C\c(cc2)cc(c2N(C)C)Br,0.0
17472,CO-ADD:0259500,9.84,N1C(C)(C)CC(CC1(C)C)NCC(=O)OC2CCCCC2,0.0
17473,CO-ADD:0259564,9.84,n1(c2c(nc1SCC(=O)N(CC)CC)cccc2)C(=O)Oc3ccccc3,0.0
17474,CO-ADD:0260046,9.84,N1(c2ccccc2Br)C(=O)C(C(C1=O)C(C)(c(c34)cccc3)c5c6cccc5)C46C=O,0.0
17475,CO-ADD:0259759,9.84,c12c(nnc(SCC(=O)Nc3ccccc3OC)n1)c4c(cccc4)n2CCC,0.0
17476,CO-ADD:0260047,9.84,N(c1ccccc1C(OC)=O)(C2=O)C(=O)C(C23)C4OC3C=C4,0.0
17477,CO-ADD:0259968,9.84,C1(SC(C(=O)N1c2cccc(Cl)c2)C)(c3c(N4CN5CCCCC5)cccc3)C4=O,0.0
17478,CO-ADD:0278486,9.84,c1(C2c3ccc(c(OC)c3)OC)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
17479,CO-ADD:0278248,9.84,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OCc(ccc(c5Cl)Cl)c5)c4)\C1=O,0.0
17480,CO-ADD:0278328,9.84,C(C(C)N1)(=CNC1=S)C(CC(C)NC2=S)N2,0.0
17481,CO-ADD:0279138,9.84,C(C1c2ccccc2)(C(C1C(O)=O)c3ccccc3)C(=O)Oc4cccc(C)c4,0.0
17482,CO-ADD:0283363,9.83,c1(C(OC)=O)oc(c2c1N)ccc(OC)c2,0.0
17483,CO-ADD:0279126,9.83,C(=O)(c1ccc(cc1)Cl)Nc2c(C)cc(c(C)c2)O,0.0
17484,CO-ADD:0259532,9.83,C(=O)(c1cccnc1Cl)N(c2ccccc2)NC(=O)C(CC)(CC)O,0.0
17485,CO-ADD:0257293,9.83,c1(OC)c(Br)cc(cc1Br)\C=N\NC(=O)c2ccc(cc2)Oc(cc3)ccc3O,0.0
17486,CO-ADD:0257613,9.83,N1(C2c3cccs3)C(S\C(=C/c4c(OC)ccc(cccc5)c45)\C1=O)=NC(C)=C2C(OCC)=O,0.0
17487,CO-ADD:0257341,9.83,C(C)(NC(=O)Nc1nnc(SCC)s1)(C(F)(F)F)C(F)(F)F,0.0
17488,CO-ADD:0259875,9.83,C1(SC(=O)c2ccc(cc2)C)=C(SC(=O)c3ccc(cc3)C)SC(=S)S1,0.0
17489,CO-ADD:0259684,9.83,N1(c2cccc(c2)[N+](=O)[O-])C(=O)C3C(C4\C(=C(\C5)/CCC5)\C3C=C4)C1=O,0.0
17490,CO-ADD:0260019,9.83,C(=O)(Nc1cccc(cccn2)c12)c3ccccc3O,0.0
17491,CO-ADD:0257920,9.83,N1C(c(cc2OC)cc(c2O)Br)SCC1C(O)=O,0.0
17492,CO-ADD:0300078,9.83,C(=CC(\C=C\c(cc1)ccc1Cl)=NC2=O)(C(F)(F)F)N2,0.0
17493,CO-ADD:0288603,9.83,C(OC(C)(C)C)(NCCn1c(C)cnc1c2ccncc2)=O,0.0
17494,CO-ADD:0288921,9.83,n12c(cc(C)n1)c3c(Oc4c2ccc(c4)[N+](=O)[O-])ccc(C)c3,0.0
17495,CO-ADD:0289126,9.83,c(CCC(O)=O)(cn(n1)C)c1c2ccc(C)cc2,0.0
17496,CO-ADD:0289001,9.83,C1(=NCC2)N2c3c(Oc(ccc(Cl)c4)c14)cccc3C#N,0.0
17497,CO-ADD:0288560,9.83,n(CC(CCN1)C1)(c(C)cn2)c2C.Cl.Cl,0.0
17498,CO-ADD:0252785,9.83,C1(=O)N(Cc(cc2)ccc2Cl)c(c(c3)N1Cc(cc4)ccc4Cl)cc(c3[N+](=O)[O-])N5CCCCC5,0.0
17499,CO-ADD:0255002,9.83,C(C#N)(C1c(cc2)ccc2N(CC)CC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
17500,CO-ADD:0254627,9.83,N1(NC(=O)c(c2)cc(cc2NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)C(=O)c3c(cccc3)C1=O,0.0
17501,CO-ADD:0254807,9.83,C(=O)(c1ccccc1C)Nc(cc2)ccc2OC(=O)c3ccccc3C,0.0
17502,CO-ADD:0254657,9.83,C(=O)(NNC(COc1cccc(C)c1)=O)C(=O)NC(C)(C)C,0.0
17503,CO-ADD:0247624,9.83,S(CCCCCCCCCC)(=O)(=O)Nc(c1)cc2c(cccc2)n1,0.0
17504,CO-ADD:0225225,9.83,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc(cc4)ccc4C(OC)=O)C2=O,0.0
17505,CO-ADD:0226366,9.83,C1(=N2)N(C=CC(N3CCCCCC3)=N1)C(N2CC(=O)Nc(cc4)ccc4C(OC)=O)=O,0.0
17506,CO-ADD:0284311,9.83,c1(N\N=C(/C(C)C)\N=Nc(cc2)ccc2Br)oc(c3n1)cccc3,0.0
17507,CO-ADD:0259056,9.82,n1c(c2ccccc2)csc1\C(\C#N)=N\Nc3ccccc3F,0.0
17508,CO-ADD:0258545,9.82,S(O)(=O)(=O)c1c(N)cc(c(c1)N2)NC2=O,0.0
17509,CO-ADD:0284527,9.82,c12c(nnc(SCC(=O)Nc(cc3)ccc3Cl)n1)c4c(cccc4)n2C,0.0
17510,CO-ADD:0283632,9.82,N1(c(cc2)ccc2C(C)C)C(c3ccc(cc3)OCC(C)C)Nc(c4C1=O)cccc4,0.0
17511,CO-ADD:0284240,9.82,n1(nnc(C(=O)N\N=C\c(ccc(c2OCC)O)c2)c1CN3CCCCCC3)c4nonc4N,0.0
17512,CO-ADD:0259953,9.82,C12(c(cccc3)c3C(c4ccc(cc4)C)(c5ccc(cc5)C)S1)N(c6ccc(cc6)Br)N=C(C(C)=O)S2,0.0
17513,CO-ADD:0259491,9.82,c1(sc(n2)c(ccc(c3[N+](=O)[O-])OC)c3)c2sc(c(ccc(c4[N+](=O)[O-])OC)c4)n1,0.0
17514,CO-ADD:0258559,9.82,c1(Nc(cccc2C(F)(F)F)c2)nc(N\N=C\c(cc3)ccc3C(OC)=O)nc(NC)n1.Cl,0.0
17515,CO-ADD:0258369,9.82,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(=O)Nc(cc5)ccc5C(OC)=O)c3)sc(c6n1)cccc6,0.0
17516,CO-ADD:0257989,9.82,N1C(=O)C(C)=NN=C1SC(CC)C(=O)Nc2cccc(cccc3)c23,0.0
17517,CO-ADD:0279166,9.82,c1(C(F)(F)F)n(CC#CCn2c3c(nc2C(F)(F)F)cccc3)c4c(cccc4)n1,0.0
17518,CO-ADD:0279014,9.82,c1(N(CC2)CCO2)nc(NNC(=O)c(ccc(c3Cl)Cl)c3)cc(N(CC4)CCO4)n1,0.0
17519,CO-ADD:0283360,9.82,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCC4(c5ccccc5)C(OCC)=O,0.0
17520,CO-ADD:0284160,9.82,C(C(C)=O)(C1c2ccccc2F)=C(O)C(N1CCCCCCCCCCCCCCCC)=O,0.0
17521,CO-ADD:0284121,9.82,N(CCOc1ccccc1OC)(CC2)CCN2CCOc3ccccc3OC,0.0
17522,CO-ADD:0284146,9.82,c1(C(c2ccccc2)N(CC3)CCO3)nnnn1c4ccccc4,0.0
17523,CO-ADD:0258339,9.82,C1(C(=O)OC2CCCCCCC2)=C(C)NC(NC1c3ccc(c(OC)c3)OCCC)=O,0.0
17524,CO-ADD:0283475,9.82,c1([nH]nc(N)n1)c2[nH]nc(N)n2,0.0
17525,CO-ADD:0278683,9.82,c1([N+](=O)[O-])ncn(C)c1Sc2ncnc3c2ncn3Cc4ccccc4,0.0
17526,CO-ADD:0257185,9.82,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OC)cc(c5O)Cl,0.0
17527,CO-ADD:0284451,9.82,S(=O)(=O)(N(CC)CC)c1c(Br)ccc(c1)C(=O)N(c2c3cccc2)c4c(S3)cccc4,0.0
17528,CO-ADD:0259208,9.82,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccco2,0.0
17529,CO-ADD:0217403,9.82,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(=O)C(O)c3ccccc3)o1,0.0
17530,CO-ADD:0217427,9.82,N(\C(=C\c1cccc(OC)c1)\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
17531,CO-ADD:0216871,9.82,C([C@@H]1NS(=O)(=O)c2c(F)cccc2)[C@H](OCC1)c3cccc(c3)Br,0.0
17532,CO-ADD:0217399,9.82,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(=O)c(ccc(n3)C)c3)o1,0.0
17533,CO-ADD:0158230,9.82,ClC1=CC=C(C=C1)C2=C(C3=CC=CC=C3)SC(N/N=C(C)/C4=CC=C(Br)C=C4)=N2.Br,0.0
17534,CO-ADD:0156646,9.81,O=C(C(NC(C1=CC=C(C=C1)[N+]#[C-])=O)CC2=CC=C(C=C2)C(F)(F)F)NCCC,0.0
17535,CO-ADD:0217535,9.81,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(ccc4c5ccc(cc5)I)o4,0.0
17536,CO-ADD:0215395,9.81,c1(C#N)c(c2cccs2)c3c(nc1SCC(=O)Nc4cccc(C)c4)CCCC3,0.0
17537,CO-ADD:0215427,9.81,C(=O)(c1ccc(cc1)COc(cc2)ccc2C)N\N=C(/C3)\CCC3,0.0
17538,CO-ADD:0214891,9.81,N1(c(cc2)ccc2S(=O)(=O)N(C)C)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
17539,CO-ADD:0218692,9.81,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C(/C)\c(cccc3[N+](=O)[O-])c3)c1,0.0
17540,CO-ADD:0218541,9.81,N1(CNc(cc2)ccc2C(OC)=O)C(=O)\C(\SC1=O)=C\c3ccccc3,0.0
17541,CO-ADD:0218609,9.81,c1(ccco1)\C=N\c(cc2)ccc2NC(C)=O,0.0
17542,CO-ADD:0219566,9.81,N(C(CCC(=O)N\N=C\c1ccccc1O)=O)c2ccc(cc2C)I,0.0
17543,CO-ADD:0219563,9.81,c1(\C=N\NCc(cc2)ccc2Cl)c3c(cccc3)cc(cccc4)c14,0.0
17544,CO-ADD:0219258,9.81,C(C)(=O)Nc(cc1)ccc1Oc2cccc(Oc(cc3)ccc3NC(C)=O)c2,0.0
17545,CO-ADD:0219225,9.81,[N+](=O)([O-])c1cc(CC)ccc1OCC(=O)N\N=C\c2cccc(OC)c2OC,0.0
17546,CO-ADD:0220125,9.81,C(=O)(NC(C)C)CC(=O)N\N=C\c1ccccc1F,0.0
17547,CO-ADD:0219524,9.81,c1(cc(Cl)cc(Cl)c1OCC(=O)N\N=C\c2cccc(OC)c2OC)[N+](=O)[O-],0.0
17548,CO-ADD:0220930,9.81,N1\C(=N/N=C/c(cc(I)cc2I)c2O)\S\C(=C\c(ccc(c3OC)O)c3)\C1=O,0.0
17549,CO-ADD:0222688,9.81,C(=O)(c1ccc(cc1)Br)Nc2ccc(cc2C)Br,0.0
17550,CO-ADD:0222427,9.81,[N+](=O)([O-])c1cccc(\C=N\Nc(n2)nc(nc2Nc3ccccc3)Nc4ccccc4)c1O,0.0
17551,CO-ADD:0222201,9.81,c1(N(CC2)CCO2)nc(N\N=C\c3cccc(Br)c3)nc(Nc(cc4)ccc4C)n1,0.0
17552,CO-ADD:0222411,9.81,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)c(cccn2)c2)c3ccccc3I,0.0
17553,CO-ADD:0166067,9.81,c1(O)c(C)c(O)cc(C)c1\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
17554,CO-ADD:0165999,9.81,S(=O)(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2c(O)cc(c3c2)cccc3)c(cccc4[N+](=O)[O-])c4,0.0
17555,CO-ADD:0166471,9.81,C(=O)(Nc(cc1)ccc1C)C(=O)NCc(ccc(c23)OCO2)c3,0.0
17556,CO-ADD:0166783,9.81,N1(C(c2ccc(cc2)F)CC(c3ccc(cc3)Cl)=N1)c4ccc(cc4Cl)Cl,0.0
17557,CO-ADD:0166035,9.81,C(=O)(N\N=C\c(cc1)ccc1C(O)=O)C(=O)Nc(cc2)ccc2OCC,0.0
17558,CO-ADD:0166255,9.81,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc2cccc(c2)NC(C)=O,0.0
17559,CO-ADD:0215823,9.81,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(OC)c1)C(NCCO)=O,0.0
17560,CO-ADD:0164845,9.81,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O.[Na+],0.0
17561,CO-ADD:0164861,9.81,CNCC(O)c1ccc(O)cc1,0.0
17562,CO-ADD:0164917,9.81,C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O.Cl,0.0
17563,CO-ADD:0164994,9.81,CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O,0.0
17564,CO-ADD:0164609,9.8,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c1ccccc1.OC(=O)/C=C\C(=O)O,0.0
17565,CO-ADD:0164633,9.8,COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl,0.0
17566,CO-ADD:0217936,9.8,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\c2cccc(Cl)c2,0.0
17567,CO-ADD:0218232,9.8,N(C(CCC(=O)OCC(=O)c1ccc(cc1)Br)=O)c2ccc(cc2C)C,0.0
17568,CO-ADD:0218616,9.8,C(NCCO)(=O)c(cc1)ccc1C(NCCO)=O,0.0
17569,CO-ADD:0218016,9.8,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(cc4)ccc4OC(=O)c5ccc(cc5)Br,0.0
17570,CO-ADD:0215375,9.8,C(C(=O)OC(C)C)(C1c2ccc(cc2)CC)=C(CSc3nc(C)c(c(C)c3C#N)C)OC(N)=C1C#N.O,0.0
17571,CO-ADD:0215431,9.8,N1(\N=C\c(cc2)ccc2C(O)=O)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
17572,CO-ADD:0215543,9.8,C(=O)(N\N=C\c(ccc(c1OCC)OCc(cc2)ccc2Cl)c1)C(=O)Nc(cccc3C(F)(F)F)c3,0.0
17573,CO-ADD:0214925,9.8,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2C)C(=O)NC3CCCCC3,0.0
17574,CO-ADD:0218049,9.8,c1(N=Nc(ccc(c2\C=N\c(cc3)ccc3C(OCC)=O)O)c2)c(C)non1,0.0
17575,CO-ADD:0218057,9.8,C1(C(OCC)=O)=C(C)NC(NC1c(ccc(c23)OCO2)c3)=O,0.0
17576,CO-ADD:0218637,9.8,c1(ccccc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2F,0.0
17577,CO-ADD:0218101,9.8,c1(SCC(=O)N\N=C\c2ccccc2OC)sc(c3n1)cccc3,0.0
17578,CO-ADD:0218579,9.8,c1(ccccc1\N=C/c(cc2)ccc2OC)c3ccccc3\N=C/c(cc4)ccc4OC,0.0
17579,CO-ADD:0218195,9.8,c(cc(Br)cc1Br)(\C=N\c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c(cc(Br)cc4Br)c4O)c1O,0.0
17580,CO-ADD:0220118,9.8,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2ccc(cc2OC)OC,0.0
17581,CO-ADD:0222840,9.8,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)N\N=C(\C)/c4cccc(cccc5)c45,0.0
17582,CO-ADD:0220662,9.8,c1(N(CC2)CCO2)nc(N\N=C\c(cc(I)cc3I)c3OC)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
17583,CO-ADD:0219978,9.79,[N+](=O)([O-])c(cccc1C(=O)Oc2ccc(cc2Br)Br)c1,0.0
17584,CO-ADD:0222809,9.79,C12(CC3CC(CC(C3)C1)C2)C(=O)NCc4ccccc4OC,0.0
17585,CO-ADD:0222235,9.79,c1(O)c(OC)cc(cc1OC)\C=N\NC(CNc2cccc(cccc3)c23)=O,0.0
17586,CO-ADD:0219579,9.79,C(=O)(N\N=C(/C)\CC(=O)NC(C)c1ccccc1)C(=O)Nc(ccc(c2Cl)C)c2,0.0
17587,CO-ADD:0222752,9.79,c1(\C=N\NC(COc2ccc(cc2Br)OC)=O)cc(Br)cc(C)c1O,0.0
17588,CO-ADD:0222725,9.79,C(=N\NC(Cc(cc1)ccc1C)=O)(/C2=O)\c(cc(C)cc3C)c3N2,0.0
17589,CO-ADD:0222716,9.79,n1(c2ccccc2)nc(c(\C=N\NC(Cc(cc3)ccc3[N+](=O)[O-])=O)c1O)C,0.0
17590,CO-ADD:0166294,9.79,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)N\N=C\c(cc3)ccc3Br,0.0
17591,CO-ADD:0165989,9.79,N(c1ccc(cc1)OC)(Cc(c2c3)ccc3C(=O)N\N=C\c(cc4)ccc4[N+](=O)[O-])C2,0.0
17592,CO-ADD:0215115,9.79,c1(nonc1NCNc2nonc2C(N\N=C\c(cc3)ccn3)=N)C(N\N=C\c(cc4)ccn4)=N,0.0
17593,CO-ADD:0218328,9.79,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(/C)\c2ccc(cc2)C,0.0
17594,CO-ADD:0218473,9.79,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)c2ccc(cc2)Br,0.0
17595,CO-ADD:0217922,9.79,S(=O)(=O)(c1ccc(cc1)C)NCc2nnc(N)s2,0.0
17596,CO-ADD:0217930,9.79,c12c(CC(C)(C)CC1=O)nc(c3c2N)ccc(C)c3.Cl,0.0
17597,CO-ADD:0218472,9.79,c1(ccccc1Cl)C(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
17598,CO-ADD:0215502,9.79,C(Cc(cc1)ccc1Cl)(=O)N\N=C\C=C\c2ccccc2,0.0
17599,CO-ADD:0215305,9.79,c1(C#N)c(c2cccc(C)c2)cc(nc1SCC(=O)Nc3ccccc3)c4ccccc4,0.0
17600,CO-ADD:0215105,9.79,c1(\C(=C\C=C\c2ccccc2)\C#N)sc(c3n1)cccc3,0.0
17601,CO-ADD:0215368,9.79,C(C(=O)OC(C)C)(C1c2ccc(cc2)Br)=C(CSc3nc(C)c(c(C)c3C#N)C)OC(N)=C1C#N,0.0
17602,CO-ADD:0165862,9.79,[C@H](C(C)C)([C@@H](S(=O)\N=C\c1[nH]ccc1)C2)CC[C@H]2C,0.0
17603,CO-ADD:0166714,9.78,C1(C#N)(C#N)C(c(cc2)ccc2C(C)C)C(C3)C(C(C#N)=C1N)=CCN3C.C(=O)O,0.0
17604,CO-ADD:0218219,9.78,N1(c2ccc(cc2)O)C(=O)C=CC1=O,0.0
17605,CO-ADD:0218737,9.78,N1(CNc(cc2)ccc2Cl)C(=O)\C(\SC1=S)=C([H])\c(cc3)ccc3I,0.0
17606,CO-ADD:0218305,9.78,C12(OCCO1)c3c(NC2=O)cccc3,0.0
17607,CO-ADD:0218382,9.78,c1(N\N=C(\C)/C)nc(cccc2)c2nc1N\N=C(/C)\C,0.0
17608,CO-ADD:0218414,9.78,N1(c2ccc(cc2)Oc3ccccc3)C(=O)c4c(c(ccc5N(CC6)CCO6)C1=O)c5ccc4,0.0
17609,CO-ADD:0222656,9.78,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)N\N=C\c(cc4)ccc4Br,0.0
17610,CO-ADD:0222584,9.78,C(NCc(ccc(c1Cl)OC)c1)(=S)Nc2ccccc2,0.0
17611,CO-ADD:0219226,9.78,[N+](=O)([O-])c1ccc(cc1)NC(=O)CN2CCCCC2,0.0
17612,CO-ADD:0219202,9.78,N(C(CCCCCCCCC(OC)=O)=O)c1ccc(cc1C)C,0.0
17613,CO-ADD:0220695,9.78,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3[N+](=O)[O-])O)c3)nc(Nc(cc4)ccc4C)n1,0.0
17614,CO-ADD:0222532,9.78,c1(cc(Cl)ccc1O)\C=N\c(ccc(c2Cl)OC)c2,0.0
17615,CO-ADD:0222653,9.78,N1(c2ccccn2)C(=O)C(C(C34)C1=O)C(CC3=O)c(c45)cccc5,0.0
17616,CO-ADD:0220180,9.78,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c2cccc(Cl)c2,0.0
17617,CO-ADD:0219999,9.78,n1(c2ccccc2)nnnc1SCc3ccccc3,0.0
17618,CO-ADD:0222279,9.78,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/C)\c(cc3)ccc3N(C)C,0.0
17619,CO-ADD:0222052,9.78,c1(cc(ccc1Cl)SC)C(=O)Nc(cccn2)c2,0.0
17620,CO-ADD:0222197,9.78,c1(c(Br)cc(cc1\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)Br)OC(=O)c(cc4OC)cc(c4OC)OC,0.0
17621,CO-ADD:0166537,9.78,N(=C\c1ccccc1OC)/NC(CCCc(cc2)ccc2OC)=O,0.0
17622,CO-ADD:0165918,9.78,[N+](=O)([O-])c1ccccc1NC(=O)c2ccc(cc2)OC(=O)c(cc3)ccc3C(=O)Oc(cc4)ccc4C(=O)Nc5ccccc5[N+](=O)[O-],0.0
17623,CO-ADD:0166162,9.78,c1(c2ccc(cc2)I)ccc(\C=N\NC(COc3c(Br)cc(cc3Br)Br)=O)o1,0.0
17624,CO-ADD:0166635,9.78,C(C(=O)N(CC1)CCO1)(C2c3ccccc3)C(C2C(=O)N\N=C\c(cc4)ccc4N(C)C)c5ccccc5,0.0
17625,CO-ADD:0164673,9.78,Nc1nc(O)c2ncn(CCC(CO)CO)c2n1,0.0
17627,CO-ADD:0164643,9.78,CNCCCC12CCC(c3ccccc13)c1ccccc21.Cl,0.0
17628,CO-ADD:0217904,9.78,[N+](=O)([O-])c(cccc1C(OCCNC(CCCCCC(NCCOC(=O)c(cccc2[N+](=O)[O-])c2)=O)=O)=O)c1,0.0
17629,CO-ADD:0217613,9.78,C(=O)(N\N=C\c1ccccc1O)C(C)Oc2cccc(cccn3)c23,0.0
17630,CO-ADD:0216893,9.78,C(=O)(C(C)(C)C)Nc(cc1)ccc1C(=O)N\N=C\C(C)C,0.0
17631,CO-ADD:0217269,9.78,C(=O)(N\N=C\c1ccccc1OCc(cc2)ccc2Cl)C(OC)c3ccccc3,0.0
17632,CO-ADD:0226986,9.78,N1(c(ccs2)c2C(N3Cc4ccco4)=O)C3=NN(CC(NCCC(C)C)=O)C1=O,0.0
17633,CO-ADD:0226418,9.78,C1(=NN(C2=O)Cc(cc3)ccc3F)N2C=CN(c4ccccc4)C1=O,0.0
17634,CO-ADD:0225730,9.78,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc(cc4)ccc4OC)=O,0.0
17635,CO-ADD:0225597,9.78,C1(=NN(C2=O)Cc(ccc(c34)OCO3)c4)N2C=CC=C1S(=O)(=O)N5CCCCC5,0.0
17636,CO-ADD:0226757,9.78,c12n(ccn(nc(c3ccc(cc3)C)c4)c14)c(nn2)SCC(=O)NCc(cc5)ccc5C,0.0
17637,CO-ADD:0219460,9.78,C(C(NCCOC)=O)C(=O)N\N=C\c(ccc(c1OC)OCC=C)c1,0.0
17638,CO-ADD:0221063,9.77,n1c2c([nH]c1c3ccc(cc3)\N=C\c(ccc(c4OC)O)c4)ccc(N)c2,0.0
17639,CO-ADD:0221798,9.77,C(F)(F)(C(=O)N\N=C\c1cccc(OC)c1)C(F)(F)C(F)(F)F,0.0
17640,CO-ADD:0219065,9.77,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4OC)cc(c4O)Br,0.0
17641,CO-ADD:0221491,9.77,c1(ccccc1NC(=O)c2ccc(cc2)Oc(cc3)ccc3C(=O)Nc4ccccc4C(c5ccccc5)=O)C(c6ccccc6)=O,0.0
17642,CO-ADD:0221815,9.77,c1(ccco1)C(NCCSCCCCCCCCCCCCCCCCCC)=O,0.0
17643,CO-ADD:0221974,9.77,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])OC,0.0
17644,CO-ADD:0222685,9.77,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(cccc2[N+](=O)[O-])c2)OC)c1,0.0
17645,CO-ADD:0222075,9.77,c(C(=O)Nc1sc(c2c1C(OCC)=O)CCCC2)(c(N)c(c34)cc(c(N)n3)C#N)s4,0.0
17646,CO-ADD:0221009,9.77,C(COc1ccc(cc1OC)Br)(=O)N\N=C\C=C\c2ccccc2,0.0
17647,CO-ADD:0221962,9.77,c(cc(cc1)\C=N\c(cc2)ccc2C)(Cc(c34)cccc3)c14,0.0
17648,CO-ADD:0222073,9.77,S(=O)(=O)(c1ccc(cc1)Cl)N(CCC#N)c2ccc(cc2)OC,0.0
17649,CO-ADD:0220426,9.77,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc3c(Br)cc(cc3Br)C)=O,0.0
17650,CO-ADD:0222743,9.77,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2OCC)cc(c2O)Cl,0.0
17651,CO-ADD:0219757,9.77,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2OC(C)=O,0.0
17652,CO-ADD:0219827,9.77,N#CCC(=O)NCc1ccccc1,0.0
17653,CO-ADD:0220977,9.77,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(ccc(c34)OCO3)c4,0.0
17654,CO-ADD:0220882,9.77,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(cc(Br)cc3Br)c3O,0.0
17655,CO-ADD:0222722,9.77,S(C)(=O)(=O)Nc(cc1)ccc1C(C)=O,0.0
17656,CO-ADD:0215372,9.77,C(C(=O)OC(C)C)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3cccc(I)c3,0.0
17657,CO-ADD:0215380,9.77,n1c(ccc(C#N)c1SCC(=O)Nc2cccc(C)c2)c3cccs3,0.0
17658,CO-ADD:0164556,9.77,OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12.O,0.0
17659,CO-ADD:0164580,9.77,CC[C@]1(O)C[C@@H]2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@@H]7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC.OS(=O)(=O)O,0.0
17660,CO-ADD:0164719,9.77,CC1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1,0.0
17661,CO-ADD:0164509,9.77,CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O.O.Cl.Cl.Cl.O.O,0.0
17662,CO-ADD:0217945,9.77,n1c2c(cccc2)ccc1C(=O)N\N=C\c3cccc(Cl)c3,0.0
17663,CO-ADD:0218426,9.77,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c(cc2)cc(c23)CCCN3)[N+](=O)[O-],0.0
17664,CO-ADD:0219530,9.77,C(=O)(c1cccc(Br)c1)N\N=C(/C)\C=C\c2ccccc2F,0.0
17665,CO-ADD:0219761,9.77,C(O)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2OCc(cc3)ccc3Br,0.0
17666,CO-ADD:0220739,9.77,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(=O)c(ccc(c3Br)O)c3,0.0
17667,CO-ADD:0220708,9.77,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3ccccc3OC)=O)o1,0.0
17668,CO-ADD:0220728,9.77,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc(ccc(c34)cccc3)c4)=O)o1,0.0
17669,CO-ADD:0219263,9.77,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\c(cc3)ccc3OCCCCCCC,0.0
17670,CO-ADD:0225491,9.77,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5cccc(C)c5)=O,0.0
17671,CO-ADD:0226676,9.77,C1(=NN(C2=O)Cc3cccc(F)c3)N2C=CN(c4cccc(Cl)c4C)C1=O,0.0
17672,CO-ADD:0226412,9.77,C1(=NN(C2=O)Cc(cccc3[N+](=O)[O-])c3)N2C=CN(c4ccccc4)C1=O,0.0
17673,CO-ADD:0225296,9.77,N1(c2c(ccc(c2)C(=O)NC3CCCCC3)C(N4CCC)=O)C4=NN(CC#N)C1=O,0.0
17674,CO-ADD:0222676,9.77,C(=O)(Nc1ccc(cc1C)Br)c2ccccc2Cl,0.0
17675,CO-ADD:0220219,9.77,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c4ccccc4,0.0
17676,CO-ADD:0220228,9.77,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c2ccc(cc2O)O,0.0
17677,CO-ADD:0220057,9.76,c1(\C=N\NC(=O)CC(=O)N\N=C\c2c3c(cccc3)cc(cccc4)c24)c5c(cccc5)cc(cccc6)c16,0.0
17678,CO-ADD:0221084,9.76,C1(C(NCCCC)=O)=C(CO)C=C(NC1=O)C,0.0
17679,CO-ADD:0221817,9.76,C(CCCCCCCCCCCCCCC)(OCCCSCCCCCCCCCCCC)=O,0.0
17680,CO-ADD:0221654,9.76,c(c(C)on1)(C(=O)NNC(=O)c(c(C)on2)c2c3ccccc3)c1c4ccccc4,0.0
17681,CO-ADD:0221674,9.76,C(OCCF)(NCCCCNC(OCCF)=O)=O,0.0
17682,CO-ADD:0221489,9.76,c1(c(OCCCCNC(=O)c(cccc2C(NCCCCOc3ccc(cc3C(C)(C)CC)C(C)(C)CC)=O)c2)ccc(C(C)(C)CC)c1)C(C)(C)CC,0.0
17683,CO-ADD:0221343,9.76,N1(CCC(c(cccc2)c12)=O)C(=O)c3ccc(cc3)Cl,0.0
17684,CO-ADD:0222163,9.76,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)c4ccccc4Cl,0.0
17685,CO-ADD:0222516,9.76,C(=O)(NCC(=O)N\N=C(/C)\c1ccc(cc1)N)c2ccc(c(OC)c2)OC,0.0
17686,CO-ADD:0220453,9.76,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3ccccc3O,0.0
17687,CO-ADD:0222457,9.76,c1(c(ccc(c1)[N+](=O)[O-])Oc2ccc(cc2OCC)\C=N\c(cc3)ccc3c4sc(c5n4)ccc(C)c5)[N+](=O)[O-],0.0
17688,CO-ADD:0222766,9.76,s1c(N)nnc1CC(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
17689,CO-ADD:0220381,9.76,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(CNc3cccc(C)c3)=O)o2)c1,0.0
17690,CO-ADD:0219549,9.76,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)NCc(cc2)ccc2Cl,0.0
17691,CO-ADD:0218950,9.76,C(C(c1ccc(cc1)OC)Nc2cccc(Cl)c2)C(=O)c3ccc(cc3)Cl,0.0
17692,CO-ADD:0219317,9.76,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C(/C)\c(cc2)ccc2c3ccccc3,0.0
17693,CO-ADD:0219769,9.76,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/C)\c2ccc(cc2)OCc(cc3)ccc3Cl)[N+](=O)[O-],0.0
17694,CO-ADD:0220535,9.76,c1(Br)oc(cc1Br)\C=N\NC(CNc2cccc(C)c2)=O,0.0
17695,CO-ADD:0220480,9.76,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc3ccc(cc3Br)C)=O,0.0
17696,CO-ADD:0215532,9.76,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c3cccc(Br)c3,0.0
17697,CO-ADD:0215604,9.76,C(=O)(N\N=C\c(cc(OCO1)c1c2)c2Br)C(=O)N3CCCCC3,0.0
17698,CO-ADD:0215640,9.76,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\c3cccc(OC)c3,0.0
17699,CO-ADD:0214912,9.76,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2C)C(=O)Nc(cc3)ccc3OCC,0.0
17700,CO-ADD:0215509,9.76,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c2cccc(OC)c2O,0.0
17701,CO-ADD:0166767,9.76,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)SC(N\N=C\c(cc3)ccc3N(C)C)=N,0.0
17702,CO-ADD:0166527,9.76,N#Cc(cc1)ccc1\C=N\NC(Cc(cc2)ccc2C)=O,0.0
17703,CO-ADD:0164525,9.76,CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl,0.0
17704,CO-ADD:0164816,9.75,NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F,0.0
17705,CO-ADD:0164840,9.75,COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1,0.0
17706,CO-ADD:0164440,9.75,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O,0.0
17707,CO-ADD:0164414,9.75,COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O,0.0
17708,CO-ADD:0164486,9.75,NC12CC3CC(CC(C3)C1)C2.Cl,0.0
17709,CO-ADD:0157953,9.75,O=C(/C=C/N1CCCCC1)C2=CC=CS2,0.0
17710,CO-ADD:0217708,9.75,C(CSCc1cccc(Cl)c1)(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
17711,CO-ADD:0217740,9.75,S(=O)(=O)(c1ccc(cc1)C)Oc2ccccc2\C=N\Nc(cc3)ccc3[N+](=O)[O-],0.0
17712,CO-ADD:0219845,9.75,N1(CNc(cc2)ccc2c3ccccc3)C(=O)CCC1=O,0.0
17713,CO-ADD:0220842,9.75,c(Nc1ccccc1)(nc(N\N=C\c(cc(I)cc2I)c2O)nc3Nc(cc4)ccc4OC)n3,0.0
17714,CO-ADD:0219560,9.75,C(O)(=O)\C=C\c(cccc1Oc2ccccc2)c1,0.0
17715,CO-ADD:0219543,9.75,C(/O)(\c1ccc(cc1)Br)=C/C=N/c2ccc(cc2OC)OC,0.0
17716,CO-ADD:0220803,9.75,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc2ccccc2,0.0
17717,CO-ADD:0226664,9.75,c1(nnc2SC(C)C(=O)Nc(cc3)ccc3OC)n2C=CN(c4ccccc4)C1=O,0.0
17718,CO-ADD:0225336,9.75,c12n(ccn(nc(c3ccc(cc3)F)c4)c14)c(nn2)SCC(=O)Nc5c(C)cccc5C,0.0
17719,CO-ADD:0227000,9.75,n12c(ccc(N(CCCC)CC)n1)nnc2CCc3onc(c(ccc(c45)OCO4)c5)n3,0.0
17720,CO-ADD:0226604,9.75,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc4ccc(cc4F)F,0.0
17721,CO-ADD:0226612,9.75,c1(nnc2SC(CC)C(=O)Nc(cc3)ccc3C(C)C)n2C=CN(c4ccc(cc4)OCC)C1=O,0.0
17722,CO-ADD:0222654,9.75,N1(C(C)=O)C2(CCCC2)OC(c3cccc(cccc4)c34)=N1,0.0
17723,CO-ADD:0221874,9.75,C(Cc1cccc(Cl)c1)(=O)NC2CCCCC2,0.0
17724,CO-ADD:0226098,9.75,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(cc2)F)c3cccn(cnn4)c34,0.0
17725,CO-ADD:0221404,9.75,C(=C(\C)/NCc(cc1)ccc1F)(/C2=O)\C(=O)c(c23)cccc3,0.0
17726,CO-ADD:0221231,9.75,S(c1ccccc1)(=O)(=O)NC(OCCCC)=O,0.0
17727,CO-ADD:0221612,9.75,[N+](=O)([O-])c(ccc(c1NC(=O)C\C(\C)=N\NC(=O)c(cc2)ccc2C(C)(C)C)F)c1,0.0
17728,CO-ADD:0221320,9.75,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3c4cccc(Cl)c4)C1=O,0.0
17729,CO-ADD:0221396,9.75,[N+](=O)([O-])c(cc(Oc(cc1)ccc1N)cc2Oc(ccc3c4c5c(o3)cccc5)c4)c2,0.0
17730,CO-ADD:0220702,9.75,c1(N(CC2)CCO2)nc(N\N=C\c(c3c([nH]4)cccc3)c4)nc(Nc(cc5)ccc5C)n1,0.0
17731,CO-ADD:0220553,9.75,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(COc(cccc2[N+](=O)[O-])c2)=O)Br,0.0
17732,CO-ADD:0220581,9.75,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(CNc3ccccc3C)=O,0.0
17733,CO-ADD:0219114,9.75,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C\Nc3c(C)cccc3C,0.0
17734,CO-ADD:0221862,9.75,c1(Cl)c(cccc1NC(CCC(OC)=O)=O)Cl,0.0
17735,CO-ADD:0218754,9.75,c1(ccccc1Br)C(=O)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
17736,CO-ADD:0218528,9.75,C(=O)(C(=O)NCc1ccccc1)Nc2ccc(cc2C)I,0.0
17737,CO-ADD:0218144,9.75,c1(sccn1)NC(CCC2CCCC2)=O,0.0
17738,CO-ADD:0218204,9.75,C1(=Cc2c(OC1=O)cccc2)C(=O)NC3CCCCC3,0.0
17739,CO-ADD:0166504,9.75,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2C)c3ccc(cc3)OCc4ccccc4,0.0
17740,CO-ADD:0166484,9.75,C(=O)(N\N=C\c1ccccc1Cl)C(=O)NC(C)c2ccccc2,0.0
17741,CO-ADD:0166047,9.75,C(CSCc1ccccc1Cl)(=O)N\N=C\c(cc2)ccc2F,0.0
17742,CO-ADD:0166461,9.74,C(=O)(N\N=C\c1c(ccc(cccc2)c12)OCc3ccccc3)C(=O)NC(C)c4ccccc4,0.0
17743,CO-ADD:0165890,9.74,c1(Cl)c(cccc1NC(=O)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O)Cl,0.0
17744,CO-ADD:0165938,9.74,c1(\C=N/NC(c2ccccc2)=O)c3c(cccc3)ccc1OC(=O)c4ccc(cc4)Br,0.0
17745,CO-ADD:0165895,9.74,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C/c(ccc(c2OCC)OCc3cccc(cccc4)c34)c2,0.0
17746,CO-ADD:0166787,9.74,N1(NC(=O)c(c2C1=O)cccc2)c3ncnc4c3c5c(s4)CCCC5,0.0
17747,CO-ADD:0166644,9.74,c12n(cnn1N)c(nn2)\N=C/c3ccco3,0.0
17748,CO-ADD:0166608,9.74,C(CCC\C=C/CCCC(O)=O)(O)=O,0.0
17749,CO-ADD:0165002,9.74,CCC1(CCC(=O)NC1=O)c1ccc(N)cc1,0.0
17750,CO-ADD:0165018,9.74,C(C1=NCCN1)c1ccccc1.Cl,0.0
17751,CO-ADD:0164773,9.74,COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN3CCC[C@]23C=C1OC,0.0
17752,CO-ADD:0165012,9.74,Nc1nc(cc(=N)n1O)N1CCCCC1,0.0
17753,CO-ADD:0164527,9.74,Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1,0.0
17754,CO-ADD:0159683,9.74,O[C@H]1[C@H](O)[C@@H]([C@@H](O)CO)OC(C(O)=O)(O)C1.N,0.0
17755,CO-ADD:0156650,9.74,O=C(C(NC(C1=CC=C(C=C1)F)=O)CC2=CC=CC=C2)NCCC,0.0
17756,CO-ADD:0215052,9.74,C(F)(F)(F)C(=O)Nc(cc1)c(C)cc1c(cc2)cc(c2NC(=O)C(F)(F)F)C,0.0
17757,CO-ADD:0217764,9.74,C(=C/N=C/N(C)C)(/C#N)\C(OCC)=O,0.0
17758,CO-ADD:0217701,9.74,N(C(CCC(=O)N\N=C\c1cccc(Br)c1)=O)c2ccc(cc2C)I,0.0
17759,CO-ADD:0222083,9.74,N1(c2ccccc2)CC(CC1=O)C(=O)OCC(=O)c3ccc(cc3)Br,0.0
17760,CO-ADD:0220771,9.74,c1(Br)c(O)c(\C=N\NC(CNc2cccc(C)c2)=O)c(c(Br)c1O)C,0.0
17761,CO-ADD:0220802,9.74,C(=O)(OC(CCCCCCCCC)CC)c1ccccc1NC(c2ccccc2)=O,0.0
17762,CO-ADD:0222445,9.74,c1(c(Br)cc(cc1\C=N\NC(c(cc2)ccn2)=O)Br)OC(=O)c3cccc(F)c3,0.0
17763,CO-ADD:0219710,9.74,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CSCc(cc2)ccc2Cl)=O,0.0
17764,CO-ADD:0225627,9.74,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4c(OC)cc(c(Cl)c4)OC)=O,0.0
17765,CO-ADD:0225293,9.73,N1(c2c(ccc(c2)C(=O)NC3CCCCC3)C(N4C)=O)C4=NN(Cc(cccc5C(F)(F)F)c5)C1=O,0.0
17766,CO-ADD:0226669,9.73,c1(C2=O)n(c(nn1)CC)c3c(cccc3)N2CC(=O)Nc(cc4)ccc4C#N,0.0
17767,CO-ADD:0225341,9.73,c12n(ccn(nc(c3ccc(cc3)F)c4)c14)c(nn2)SCC(NCCc5ccccc5)=O,0.0
17768,CO-ADD:0225544,9.73,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc(ccc(c4F)F)c4)c2,0.0
17769,CO-ADD:0226885,9.73,c12n(c3c(cccc3)nc1SCC(=O)Nc(cc4)ccc4Cl)c(nn2)CC,0.0
17770,CO-ADD:0226044,9.73,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)NCc4cccs4)=O,0.0
17771,CO-ADD:0221713,9.73,N(=C\c(cc1)ccc1Cl)/NC(CCCC(=O)Nc2cccc(Br)c2)=O,0.0
17772,CO-ADD:0221594,9.73,c1(N=Nc(cccc2C(F)(F)F)c2)c(N)n[nH]c1N,0.0
17773,CO-ADD:0221294,9.73,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc(cc2)c(C)cc2[N+](=O)[O-],0.0
17774,CO-ADD:0221273,9.73,N1(c2cccc(cccc3)c23)C(N(O)C(=O)Nc4cccc(cccc5)c45)C(N(CCc6ccccc6)C1=O)(C)C,0.0
17775,CO-ADD:0221321,9.73,C12=C(C=C(C)NC1=S)\C(\OC2=O)=C\c(c(O)ccc3[N+](=O)[O-])c3,0.0
17776,CO-ADD:0221628,9.73,C(OCC)(=O)c1ccc(cc1)NC(CCl)=O,0.0
17777,CO-ADD:0218973,9.73,c1(OC)c(cccc1\C=N\NC(CCCCCCC)=O)OC,0.0
17778,CO-ADD:0219232,9.73,N(/c(cc1)c(C)cc1c2ccc(c(C)c2)\N=C\c3ccc(cc3Cl)Cl)=C\c4ccc(cc4Cl)Cl,0.0
17779,CO-ADD:0219681,9.73,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Cl)CC(=O)N\N=C\c3ccccc3OCCCC,0.0
17780,CO-ADD:0219493,9.73,c1(O)c(Br)c(\C=N/NC(=O)c2ccccc2O)cc(Br)c1O,0.0
17781,CO-ADD:0220780,9.73,C(CNc1ccccc1C)(=O)N\N=C\c(cc2)ccc2O,0.0
17782,CO-ADD:0222167,9.73,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(CNc(ccc(c34)cccc3)c4)=O,0.0
17783,CO-ADD:0218067,9.73,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OC,0.0
17784,CO-ADD:0218164,9.73,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(COc4cccc(Cl)c4)=O,0.0
17785,CO-ADD:0218767,9.73,C(=O)(N\N=C\c(cc1)ccc1OCc(ccc(c23)cccc2)c3)c4ccc(c(OC)c4)OC,0.0
17786,CO-ADD:0218367,9.73,c1(cc(c(cc1[N+](=O)[O-])n2)nc(c2Nc(cc3)ccc3NC(C)=O)OCC)[N+](=O)[O-],0.0
17787,CO-ADD:0218399,9.73,S(=O)(=O)(c1ccc(cc1)C)N(C)[N+](=O)[O-],0.0
17788,CO-ADD:0218346,9.73,[N+](=O)([O-])c1ccc(cc1)\C=N\c(cc2)ccc2c3ccc(cc3)\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
17789,CO-ADD:0166569,9.73,c12c(ccc(c1)\N=C\c3cc(Br)ccc3O)c4c(cccc4)o2,0.0
17790,CO-ADD:0166166,9.73,c(c1)(cc(cn1)Br)C(=O)N\N=C\c2cc(Cl)ccc2O,0.0
17791,CO-ADD:0166025,9.73,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(cc2)ccc2Br,0.0
17792,CO-ADD:0166383,9.72,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)N\N=C\c(ccc(c4OC)OC)c4,0.0
17793,CO-ADD:0166128,9.72,C(=O)(NCC(=O)N\N=C\c(ccc(c1OCC)O)c1)c2ccco2,0.0
17794,CO-ADD:0156654,9.72,O=C(C(NC(C1=CC=C(C=C1)[N+]#[C-])=O)CC2=C(C=CC=C2)F)NCCC,0.0
17795,CO-ADD:0159674,9.72,O=C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CC2=CC=CC=C2)C(O)=O)=O)=O)=O)=O)CN3N=NC(CN4CCN([H])CCCN([H])CCN([H])CCC4)=C3.FC(F)(C(O)=O)F.FC(F)(C(O)=O)F.FC(F)(C(O)=O)F.FC(F)(C(O)=O)F.O.O,0.0
17796,CO-ADD:0217002,9.72,C(CSCc1ccccc1C)(=O)N\N=C\c(cc2)ccc2Cl,0.0
17797,CO-ADD:0217498,9.72,[N+](=O)([O-])c(cc1)cc(c1c2ccc(\C=N\c(cc3)ccc3C)o2)Cl,0.0
17798,CO-ADD:0217099,9.72,N1(CCCCCCC)C=CC(C=C1)=N.I,0.0
17799,CO-ADD:0215170,9.72,C(=O)(Nc(cc1)ccc1I)Oc2ccc(cc2OC)CC=C,0.0
17800,CO-ADD:0215747,9.72,N1(c2ccccc2)CC(CC1=O)C(=O)N\N=C\c(cc3)ccc3C(OC)=O,0.0
17801,CO-ADD:0215750,9.72,n1c(\N=C\c2ccccc2)[nH]nc1\N=C\c3ccccc3,0.0
17802,CO-ADD:0215558,9.72,c1(c2ccc(cc2)Cl)nc(sc1c3ccccc3)N\N=C(/CC)\c4ccc(cc4)Cl,0.0
17803,CO-ADD:0215238,9.72,C(c(cc1)ccc1\C=N\c(cc2)ccc2c3ccccc3)#Cc4ccccc4,0.0
17804,CO-ADD:0219529,9.72,C(/O)(\c1ccc(cc1)OC)=C/C=N/c2cccc(Cl)c2,0.0
17805,CO-ADD:0219694,9.72,C1(C(=O)Oc2cccc(cccc3)c23)CC1c4ccccc4,0.0
17806,CO-ADD:0219510,9.72,[N+](=O)([O-])c1ccccc1NC(=O)C\C(\C)=N\NC(=O)C(=O)Nc2c(OC)ccc(OC)c2,0.0
17807,CO-ADD:0220654,9.72,c1(O)c(OC)cc(cc1Br)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O,0.0
17808,CO-ADD:0217571,9.72,c1(OC)c(OC)ccc(\C=N\NC(=O)c2ccc(cc2)OCC=C)c1OC,0.0
17809,CO-ADD:0217580,9.72,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(C)Oc(ccc(c23)cccc2)c3,0.0
17810,CO-ADD:0158231,9.72,O=S(N(C1=CC=C(C(C)C)C=C1)CC(N/N=C/C2=CC=C(C=C2)OC(C3=CC=CC=C3)=O)=O)(C4=CC=CC=C4)=O,0.0
17811,CO-ADD:0226685,9.72,C1(=NN(C2=O)Cc3cccc(Cl)c3)N2C=CN(c4cccc(Cl)c4C)C1=O,0.0
17812,CO-ADD:0227001,9.72,n12c(ccc(N(CCCC)CC)n1)nnc2CCc3onc(c4ccc(cc4)Br)n3,0.0
17813,CO-ADD:0225297,9.72,N1(c2c(ccc(c2)C(=O)NC3CCCCC3)C(N4C)=O)C4=NN(CC#N)C1=O,0.0
17814,CO-ADD:0226429,9.72,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCC(=O)Nc(ccc(c4Cl)OC)c4,0.0
17815,CO-ADD:0226461,9.72,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCc(cc4)ccc4C,0.0
17816,CO-ADD:0225934,9.72,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)N(CC4)CCN4c5ccccc5F)C2=O,0.0
17817,CO-ADD:0225950,9.72,N12C(C=CC(c3ccccc3)=N1)=NN(Cc(cc4)ccc4Cl)C2=O,0.0
17818,CO-ADD:0225998,9.72,C1(=N2)N(C=CN=C1N3CCCC3)C(N2CC(=O)Nc(cc4)ccc4C(C)C)=O,0.0
17819,CO-ADD:0226407,9.71,n12c(ccc(n1)NS(=O)(=O)c3ccc(c(C)c3)C)nnc2c4ccccc4,0.0
17820,CO-ADD:0221393,9.71,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
17821,CO-ADD:0221582,9.71,N1(OC(N(c2ccc(c(Cl)c2)Cl)C1=O)=O)C3C(C)(C)SC(=S)N3CCCC,0.0
17822,CO-ADD:0221235,9.71,c1(nc(c2ccccc2)cc3C(F)(F)F)n3nc(C(NCCC)=O)c1Br,0.0
17823,CO-ADD:0221060,9.71,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
17824,CO-ADD:0221068,9.71,C(COc1ccc(cc1OC)Br)(=O)N\N=C\C=C\c2ccco2,0.0
17825,CO-ADD:0221106,9.71,c1(C#N)c(C)cc(nc1SCC(N)=O)C,0.0
17826,CO-ADD:0222842,9.71,C(=O)(COc1c(Cl)cc(c(Cl)c1)Cl)N2CCCCC2,0.0
17827,CO-ADD:0219250,9.71,C(c1ccccc1)(C(N)=O)(c2ccccc2C#N)c3ccccc3C#N,0.0
17828,CO-ADD:0220262,9.71,c1(\C=N\NC(CNc(cc2)ccc2C)=O)cc(Cl)ccc1O,0.0
17829,CO-ADD:0221188,9.71,S(=O)(=O)(c(ccc(c1C(=O)Nc2sccn2)Cl)c1)N(CC3)CCO3,0.0
17830,CO-ADD:0222126,9.71,[N+](=O)([O-])c1ccccc1c2ccccc2C(=O)OCC(c3ccccc3)=O,0.0
17831,CO-ADD:0222562,9.71,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(=O)NC(C)c2ccccc2,0.0
17832,CO-ADD:0218266,9.71,C(C=C(C#N)C(N1c2ccc(cc2)OC)=N)([N+](=O)[O-])=N1,0.0
17833,CO-ADD:0218274,9.71,N#CCC(=O)N\N=C\c1cccc(Br)c1,0.0
17834,CO-ADD:0218715,9.71,C(=O)(N\N=C\c1ccc(cc1O)C)C(O)c2ccccc2,0.0
17835,CO-ADD:0218763,9.71,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(=O)c2ccc(cc2)I,0.0
17836,CO-ADD:0217686,9.71,N(=C\c(ccc(c1O)O)c1)/Nc2cccc(cccc3)c23,0.0
17837,CO-ADD:0217702,9.71,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc(cc2C(=O)Nc(cc3)ccc3I)C(=O)Nc(cc4)ccc4I)c2,0.0
17838,CO-ADD:0215038,9.71,C1(C(OCC)=O)=C(NC(CCC)=O)c2c(cccc2)CC13CCCC3,0.0
17839,CO-ADD:0215360,9.71,c1(C#N)c(C)cc(nc1SCC(=O)CC(OC(C)C)=O)C,0.0
17840,CO-ADD:0217688,9.71,N(=C(/C)\c1ccc(cc1)Cl)/Nc2cccc(cccc3)c23,0.0
17841,CO-ADD:0220797,9.71,c1(O)c(OC)cc(cc1Br)\C=N\NC(CNc2ccccc2C)=O,0.0
17842,CO-ADD:0220789,9.71,C(CNc1ccccc1C)(=O)N\N=C\c2ccc(cc2O)C,0.0
17843,CO-ADD:0158138,9.71,O=C(N/N=C/C1=C(C=CC=C2)C2=CC=C1OCC)COC(C(Br)=C3)=C(Br)C=C3Br,0.0
17844,CO-ADD:0157962,9.71,O=C(COC(C(Cl)=C1)=CC=C1Cl)NC(C2=CC=C3)=CC=CC2=C3NC(COC4=C(Cl)C=C(Cl)C=C4)=O,0.0
17845,CO-ADD:0157994,9.71,[O-][N+](C(C=C1)=CC=C1/C=N/NC(C(C)OC2=C(C=CC=C3)C3=CC=C2)=O)=O,0.0
17846,CO-ADD:0158258,9.71,O=C(N/N=C/C(C=CC=C1)=C1OCCCC)C2=CC=C(F)C=C2,0.0
17847,CO-ADD:0226309,9.71,N1(C2=O)C(C=C(N=C1Nc(cc3)ccc3F)C)=NN2CC(=O)Nc(cc4)ccc4C,0.0
17848,CO-ADD:0226493,9.71,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)c4ccc(cc4)OC,0.0
17849,CO-ADD:0225302,9.71,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)NC(C)CC)C2=O,0.0
17850,CO-ADD:0226431,9.71,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCC(=O)Nc4ccc(cc4Cl)C,0.0
17852,CO-ADD:0221179,9.71,c1(NC(OC)=O)[nH]c(c(cc(c2Oc3ccc(c(cccc4)c34)Cl)Cl)n1)c2,0.0
17853,CO-ADD:0219066,9.71,C(=O)(N\N=C\c1cccc(C)c1)C(=O)Nc2c(C)ccc(Cl)c2,0.0
17854,CO-ADD:0221292,9.7,C(/S(CCC)(=O)=O)(\S(CCC)(=O)=O)=C(\Nc(cc1)ccc1CC)/Nc(cc2)ccc2CC,0.0
17855,CO-ADD:0221666,9.7,C(OCCF)(=O)Nc(cc1)ccc1Cc(cc2)ccc2NC(OCCF)=O,0.0
17856,CO-ADD:0221289,9.7,n1c2c(cccc2)ccc1SCC(=O)N\N=C\c3ccccc3OC,0.0
17857,CO-ADD:0222269,9.7,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)ccc4OC(=O)c5ccccc5I,0.0
17858,CO-ADD:0222254,9.7,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)Br)OC(=O)c3cccc(F)c3,0.0
17859,CO-ADD:0220224,9.7,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC(CCCC)C(O)=O,0.0
17860,CO-ADD:0219747,9.7,c1(ccccc1O)C(=O)N\N=C\c2ccccc2OCc3ccccc3Cl,0.0
17861,CO-ADD:0220910,9.7,N(\C(=C/c(ccc1c2ccc(cc2Cl)Cl)o1)\C(O3)=O)=C3c4ccc(cc4)OC(C)=O,0.0
17862,CO-ADD:0220968,9.7,n(Cc1ccccc1)(c2c(c3\C=N\NC(COc4c(Br)cc(cc4Br)C)=O)cccc2)c3C,0.0
17863,CO-ADD:0218185,9.7,[N+](=O)([O-])\C=C\N(CC1)CCO1,0.0
17864,CO-ADD:0218280,9.7,c(cc(I)cc1I)(\C=N\c(ccc(c2Cl)Cl)c2)c1O,0.0
17865,CO-ADD:0218288,9.7,c1(ccc(\C=N\NC(COc2cccc(Cl)c2)=O)s1)[N+](=O)[O-],0.0
17866,CO-ADD:0216898,9.7,N(/c(cc1)ccc1C)=C\c(cc2)ccc2OCC(=O)c(cc3)ccc3c4ccccc4,0.0
17867,CO-ADD:0217242,9.7,C(F)(F)(COc1ccc(cc1NC(=O)c2ccc(cc2)Cl)C(F)(F)F)C([H])(F)F,0.0
17868,CO-ADD:0216886,9.7,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(cccc3)c23)\C=N\NC(=O)c4ccccc4O,0.0
17869,CO-ADD:0217214,9.7,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)CN(C)C(c2ccccc2)=O,0.0
17870,CO-ADD:0217262,9.7,C(C(=O)N\N=C\c(ccc(c1OC)OCc2ccccc2)c1)C(=O)NCC(C)C,0.0
17871,CO-ADD:0216851,9.7,N1(c2ccccc2C(O)=O)C(=O)c(c3C1=O)ccc(C(=O)c(cc4)ccc4C(O)=O)c3,0.0
17872,CO-ADD:0217696,9.7,C(=O)(Nc(cc1)ccc1Oc(cc2)ccc2Oc(cc3)ccc3NC(=O)\C=C\C(O)=O)\C=C\C(O)=O,0.0
17873,CO-ADD:0215040,9.7,N1(c2ccccc2)C(\C=C\c(cc3)ccc3[N+](=O)[O-])=Nc(c4C1=O)cccc4,0.0
17874,CO-ADD:0215188,9.7,[N+](=O)([O-])c(ccc(c1C(=O)OCC(=O)c2ccc(cc2)Cl)C(=O)OCC(=O)c3ccc(cc3)Cl)c1,0.0
17875,CO-ADD:0215748,9.7,N1(c2ccc(cc2)Cl)CC(CC1=O)C(OC)=O,0.0
17876,CO-ADD:0215175,9.7,C(OCCCCCOC(=O)Nc(cc1)ccc1OC(CC)=O)(=O)Nc(cc2)ccc2OC(CC)=O,0.0
17877,CO-ADD:0215063,9.7,C(=O)(Nc(cccn1)c1)C\C(\C)=N\NC(COc2cccc(C)c2)=O,0.0
17878,CO-ADD:0222446,9.7,c1(c(Br)cc(cc1\C=N\NC(=O)c(cccn2)c2)Br)OC(c3ccccc3)=O,0.0
17879,CO-ADD:0222761,9.7,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5ccco5)OC,0.0
17880,CO-ADD:0220796,9.7,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(=O)\C(=C/c3ccccc3O)\NC(c4ccccc4)=O)o2,0.0
17881,CO-ADD:0219604,9.7,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(Cc3ccccc3)=O,0.0
17882,CO-ADD:0221923,9.7,N1(NC(=O)c2ccc(cc2)O)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
17883,CO-ADD:0158147,9.69,O=C(CCOC1=CC=CC=C1C)NC2=C(C)C=C(C)C=C2,0.0
17884,CO-ADD:0158155,9.69,O=C(NC1=C(C=CC=C1)C(N/N=C/C2=CC=C(C=C2)I)=O)C3=CC=CC=C3Br,0.0
17885,CO-ADD:0226446,9.69,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4cc(C)ccc4C,0.0
17886,CO-ADD:0218501,9.69,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)Nc2ccccc2OCCCC,0.0
17887,CO-ADD:0226702,9.69,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc4ccccc4Br,0.0
17888,CO-ADD:0217941,9.69,C(=O)(Cc1ccccc1)N(CC2)CCO2,0.0
17889,CO-ADD:0218709,9.69,C(=O)(N\N=C(\C)/C)C(Cc(cc1)ccc1O)NC(C)=O,0.0
17890,CO-ADD:0221337,9.69,c12c(c(nn1c3ccccc3)C)cc(C(=O)Nc(cc4)ccc4C(OCC)=O)s2,0.0
17891,CO-ADD:0221622,9.69,c1(c(Cl)cc(c(F)c1)F)NC(NCCCCCCCCCCC)=O,0.0
17892,CO-ADD:0221589,9.69,N1(OC(N(c2ccc(cc2)Cl)C1=O)=O)C3C(C)(C)SC(=S)N3c4ccccc4,0.0
17893,CO-ADD:0222273,9.69,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4ccccc4I,0.0
17894,CO-ADD:0222504,9.69,c1(c(cccn2)c2)oc3c(ccc(c3)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4)n1,0.0
17895,CO-ADD:0222738,9.69,c1(OCC(=O)N\N=C\c(cc2)ccc2O)c(C)cc(cc1C)Br,0.0
17896,CO-ADD:0220753,9.69,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(cc(I)cc2I)c2O)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
17897,CO-ADD:0222437,9.69,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(=O)c(cccn3)c3,0.0
17898,CO-ADD:0222333,9.69,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(ccc(c23)OCCO2)c3,0.0
17899,CO-ADD:0215616,9.69,C(=O)(N\N=C\c(cc(OCO1)c1c2)c2Br)C(=O)NCC(C)C,0.0
17900,CO-ADD:0215505,9.69,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c2ccc(cc2OC)OC,0.0
17901,CO-ADD:0216891,9.69,c(\C=N\NC(CSCc1ccccc1C)=O)(cc(OCO2)c2c3)c3Br,0.0
17902,CO-ADD:0217659,9.69,C(=O)(N\N=C\c(cccc1OCc2cccc(Br)c2)c1)C(OC)c3ccccc3,0.0
17903,CO-ADD:0217217,9.69,C(=O)(Nc(ccc(c1Cl)Cl)c1)C2C3CC(C=C3)C2C(=O)Nc(ccc(c4Cl)Cl)c4,0.0
17904,CO-ADD:0217457,9.69,S(c1ccccc1)(=O)(=O)c2ccc(c(S)c2)C,0.0
17905,CO-ADD:0217602,9.69,C(c1ccccc1)(=O)N\N=C\c2ccccc2OCC#C,0.0
17906,CO-ADD:0215649,9.69,c12c(cccn1)cccc2SCC(=O)NCC(c3ccccc3)=O,0.0
17907,CO-ADD:0217681,9.69,C(=S)(Oc(cc1)ccc1C(OCCC)=O)N(CC(C)C)CC(C)C,0.0
17908,CO-ADD:0215017,9.69,C(c1c(cccc1)CC23CCCCC2)(\N=C\c4ccccc4)=C3C#N,0.0
17909,CO-ADD:0217248,9.68,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cccc2C(F)(F)F)c2)c3ccccc3OC,0.0
17910,CO-ADD:0217585,9.68,c1(OC)c(OC)ccc(\C=N\NC(=O)C(OC)c2ccccc2)c1OC,0.0
17911,CO-ADD:0216865,9.68,C(=O)(N(CC1)CCC1c(o2)c(C)cn2)[C@H](NC(C)=O)CC(N)=O,0.0
17912,CO-ADD:0220783,9.68,C(=C\c1ccccc1O)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc3c4ccc(cc4)Br)o3,0.0
17913,CO-ADD:0217918,9.68,S1(=O)(=O)c(cccc2)c2C(=O)N1CC#N,0.0
17914,CO-ADD:0217966,9.68,[N+](=O)([O-])c1ccc(cc1)\C=N\c2ccc(cn2)Cl,0.0
17915,CO-ADD:0218614,9.68,C(=C\c1ccc(cc1OC)OC)(/C2=O)\C(=O)OC(C)(C)O2,0.0
17916,CO-ADD:0225632,9.68,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4ccccc4F)=O,0.0
17917,CO-ADD:0218006,9.68,c1(ccc(cc1N(CC2)CCO2)N3CCCC3)[N+](=O)[O-],0.0
17918,CO-ADD:0218326,9.68,C(c1ccccc1)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
17919,CO-ADD:0226091,9.68,S(=O)(=O)(N(Cc1cccc(C)c1)c2ccc(cc2)C)c3cccn(c(nn4)C)c34,0.0
17920,CO-ADD:0220746,9.68,c1(O)c(OC)cc(cc1Br)\C=N\NC(CNc(cc2)ccc2C)=O,0.0
17921,CO-ADD:0221824,9.68,S(CCCCCCCCC)(=O)(=O)N\N=C\c1c(O)ccc(cccc2)c12,0.0
17922,CO-ADD:0220963,9.68,n(Cc1ccccc1)(c2c(c3\C=N\NC(=O)c4ccc(c5n4)cccc5)cccc2)c3C,0.0
17923,CO-ADD:0220210,9.68,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c(cc3OC)cc(c3OC)OC,0.0
17924,CO-ADD:0220250,9.68,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(cc2Br)cc(c2O)Br)c1,0.0
17925,CO-ADD:0221178,9.68,c1(N(CC)CC)nc(N\N=C\c(cc2)ccc2N(C)C)nc(Nc(ccc(c3Cl)C)c3)n1,0.0
17926,CO-ADD:0215793,9.68,[N+](=O)([O-])c1cccc(c1)\N=C\c(cc2)ccc2OCC(=O)c(cc3)ccc3c4ccccc4,0.0
17927,CO-ADD:0215666,9.68,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(=O)Nc(cc2)ccc2CC,0.0
17928,CO-ADD:0215690,9.68,C(CNC(COc1ccc(cc1Cl)Cl)=O)(=O)NNC(C)=O,0.0
17929,CO-ADD:0215322,9.68,c(C#N)(c1c2cccs2)c(SCC(=O)NCc3ccccc3)nc(N)c1C#N,0.0
17930,CO-ADD:0215330,9.68,c1(C#N)c(c2ccc(cc2)C)c3c(nc1SC\C=C\c4ccccc4)CCCC3,0.0
17931,CO-ADD:0166686,9.68,C(C(OCC)=O)(=C(CSc1c(cc(c2n1)CCC2)C#N)OC(=C3C#N)N)C3c4cccs4.Cl.Cl,0.0
17932,CO-ADD:0215296,9.68,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)N\N=C\c3cccc(OC)c3,0.0
17933,CO-ADD:0215304,9.68,c1(C#N)c(c(cccc2[N+](=O)[O-])c2)cc(nc1SCC(=O)Nc3ccccc3)c4ccccc4,0.0
17934,CO-ADD:0215336,9.68,C(C(OCCOC)=O)(C1c2ccccc2)=C(N)OC(CCCC3=O)=C13,0.0
17935,CO-ADD:0164802,9.68,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,0.0
17936,CO-ADD:0164504,9.68,OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1.Cl,0.0
17937,CO-ADD:0164898,9.68,CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O.Cl,0.0
17938,CO-ADD:0217607,9.67,C(=O)(N\N=C\c1cc(Br)ccc1OCC)C(Oc2ccccc2)Oc3ccccc3,0.0
17939,CO-ADD:0217652,9.67,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(=O)c4ccc(cc4)OC.CC(=O)O,0.0
17940,CO-ADD:0217420,9.67,N1(c2ccc(cc2)Br)C(=O)C(C(C1=O)C34C=O)C(c(c35)cccc5)c(c46)cccc6,0.0
17941,CO-ADD:0217428,9.67,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(ccc4c(ccc(c5Cl)Cl)c5)o4,0.0
17942,CO-ADD:0216873,9.67,C([C@H](NC(=O)CC)CCO1)[C@H]1c(cc2)cc(F)c2,0.0
17943,CO-ADD:0216881,9.67,C1C(CCNC1)c(c2)n[nH]c2C(F)(F)F.Cl.Cl,0.0
17944,CO-ADD:0217209,9.67,C(N(CCC)CCC)(=S)Oc(cc1)ccc1C(=O)Nc2cccc(C)c2C,0.0
17945,CO-ADD:0217128,9.67,C(C(OCC)=O)(C1c(cccn2)c2)=C(c3ccccc3)OC(N)=C1C#N,0.0
17946,CO-ADD:0216973,9.67,C(=O)(C\C(\C)=N\NC(COC)=O)Nc1cc(C)ccc1OC,0.0
17947,CO-ADD:0217146,9.67,C(\C(\CCC1)=C\c2ccccc2)(O3)=C1C(C(C#N)=C3N)c4ccccc4,0.0
17948,CO-ADD:0221863,9.67,C12(\C=N/c(cc3)ccc3OCC)c4c(cccc4)C(C(C1C5=O)C(N5c6ccccc6)=O)c(cccc7)c27,0.0
17949,CO-ADD:0221982,9.67,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
17950,CO-ADD:0221187,9.67,N1(c2cccc(c2)[N+](=O)[O-])CC(CC1=O)C(=O)Nc(cc3)ccc3OCC,0.0
17951,CO-ADD:0217500,9.67,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(Br)c3)=C\c4cccs4,0.0
17952,CO-ADD:0217524,9.67,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccccc3I)=C\c4cccs4,0.0
17953,CO-ADD:0217540,9.67,n1c2c(oc1c3cccc(c3)\N=C\c4c(O)c(OC)cc(Br)c4Br)cccc2C,0.0
17954,CO-ADD:0158160,9.67,CC1=CC2=C(C=C1)N=C(NC3=C4C=CC=C3)C4=N2,0.0
17955,CO-ADD:0158240,9.67,[O-][N+](C1=CC(C)=CC=C1/C=N/NC(CSCC2=CC=C(Cl)C=C2)=O)=O,0.0
17956,CO-ADD:0158179,9.67,N#CC1=C(SCC(C=CC=C2)=C2F)N=C(C3=CC=CS3)C=C1C4=CC=CS4,0.0
17957,CO-ADD:0217879,9.67,N1(CC(N(O)C1c(cccc2[N+](=O)[O-])c2)=O)C(c3ccccc3)=O,0.0
17958,CO-ADD:0217991,9.67,c1(ccc(C(=O)Oc(cc2)ccc2\C=N\NC(=O)c(c3)cc(cn3)Br)o1)[N+](=O)[O-],0.0
17959,CO-ADD:0218015,9.67,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c(cc4)ccc4OC(=O)c5ccc(cc5)Br,0.0
17960,CO-ADD:0218327,9.67,N(=C(/C)\c(cc1)ccc1c2ccccc2)/NC(c3ccccc3)=O,0.0
17961,CO-ADD:0225720,9.67,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4cccc(C)c4)=O,0.0
17962,CO-ADD:0226079,9.67,S(=O)(=O)(N(c1ccccc1)Cc2ccccc2Cl)c3cccn(c(nn4)CC)c34,0.0
17963,CO-ADD:0225540,9.67,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc4ccccc4CC)c2,0.0
17964,CO-ADD:0226061,9.67,C1(=N2)N(C=CN=C1N3CC(C)CC(C)C3)C(N2CC(=O)Nc(cccc4C(F)(F)F)c4)=O,0.0
17965,CO-ADD:0219106,9.67,C(=O)(N\N=C\c(cc(Br)cc1Br)c1O)N\N=C\c(cc(Br)cc2Br)c2O,0.0
17966,CO-ADD:0221157,9.67,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCc3ccco3,0.0
17967,CO-ADD:0222185,9.67,c1(c2cccc(Br)c2)oc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
17968,CO-ADD:0222430,9.67,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(cccn2)c2)c3ccccc3I,0.0
17969,CO-ADD:0222256,9.67,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cccc2OC(=O)c3cccc(F)c3)c2,0.0
17970,CO-ADD:0219807,9.67,c1(O)cc(O)ccc1\C=N\NC(CCCc(cc2)ccc2OC)=O,0.0
17971,CO-ADD:0218405,9.67,n1(c2c(n3)cccc2)c3c(c(c4ccc5)c5C1=O)ccc4N6CCCCC6,0.0
17972,CO-ADD:0217851,9.67,n1(ncn2)c2nc(c([N+](=O)[O-])c1O)C,0.0
17973,CO-ADD:0218499,9.66,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(ccc(c1OC)O)c1,0.0
17974,CO-ADD:0166037,9.66,c1(ccccc1N)C(=O)N\N=C(/C)\c2ccc(cc2)OCC,0.0
17975,CO-ADD:0166003,9.66,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\c3ccc(cc3C)C,0.0
17976,CO-ADD:0166281,9.66,C(=O)(c1cccs1)Nc2c(OC)ccc(Cl)c2,0.0
17977,CO-ADD:0166513,9.66,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)C(=O)Nc3ccc(cc3C)C,0.0
17978,CO-ADD:0216992,9.66,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc2ccc(c3c2\C=N\c(cc4)ccc4Br)cccc3,0.0
17979,CO-ADD:0217080,9.66,c1(ccc(cc1Cl)Cl)C(=O)Oc2ccc(c3c2\C=N\c(cc4)ccc4C)cccc3,0.0
17980,CO-ADD:0217129,9.66,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c(cccn3)c3,0.0
17981,CO-ADD:0217037,9.66,c1(\N=C\c2ccccc2OC)sc3c(ccc(Br)c3)n1,0.0
17982,CO-ADD:0216970,9.66,C(CSCc1ccccc1C)(=O)N\N=C\c(cc2)ccc2OCC=C,0.0
17983,CO-ADD:0217314,9.66,c(Nc1ccccc1)(nc(N\N=C\c2ccccc2O)nc3Nc(cc4)ccc4OC)n3,0.0
17984,CO-ADD:0221139,9.66,N(CC(N1CC(OC)=O)=O)(c2nc(N(C)C)nc(N(C)C)n2)C1=N,0.0
17985,CO-ADD:0221135,9.66,c1(C(=O)NC(=N2)SC)c2sc(COC(C)(C)C3)c13,0.0
17986,CO-ADD:0220195,9.66,N(=C(/C)\c1ccc(cc1)OC)/NC(CNc(cc2)ccc2C)=O,0.0
17987,CO-ADD:0158140,9.66,O=C(C(C=C1)=CC=C1C)OC/C(C(C=C2)=CC=C2Br)=N/O,0.0
17988,CO-ADD:0154571,9.66,OCC1=CC=C(O)C2=C1C=CC=N2,0.0
17989,CO-ADD:0218432,9.66,S(CCCCCCCCC)(=O)(=O)N\N=C\c(cc1)ccc1[N+](=O)[O-],0.0
17990,CO-ADD:0217864,9.66,n(c1SCCCCCCCC)c([nH]cn2)c2c(N)n1,0.0
17991,CO-ADD:0166688,9.66,C(C(OCC)=O)(C1c2ccc(cc2)SC)=C(CSc3c(cc(c4n3)CCC4)C#N)OC(N)=C1C#N,0.0
17992,CO-ADD:0166103,9.66,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNC(=O)c2cccc(F)c2)=O)OC)c1,0.0
17993,CO-ADD:0166424,9.66,c1(ccc(cc1Cl)Cl)C(=O)Oc2cc(ccc2\C=N\NC(=O)c3ccc(cc3)NC(C)=O)OC(=O)c4ccc(cc4Cl)Cl,0.0
17994,CO-ADD:0165933,9.66,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CCc2ccccc2)=O,0.0
17995,CO-ADD:0220354,9.66,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(CNc2cccc(C)c2)=O)c1,0.0
17996,CO-ADD:0220267,9.66,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(CNc(cc3)ccc3C)=O,0.0
17997,CO-ADD:0218916,9.66,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2cccc(C)c2)c3cccc(cccc4)c34,0.0
17998,CO-ADD:0218894,9.66,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c(ccc(c3OC)C)c3,0.0
17999,CO-ADD:0222341,9.66,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3Cl)Cl)c3)nc(Nc4cccc(cccc5)c45)n1,0.0
18000,CO-ADD:0222696,9.66,c1(ccc(cc1Cl)Cl)C(=O)Nc2cccc(c2)NC(C)=O,0.0
18001,CO-ADD:0217955,9.66,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)SCC(=O)Nc3cccc(F)c3,0.0
18002,CO-ADD:0218227,9.66,c1(\N=C\c(cc(Br)cc2Br)c2O)sc(c3c1C(OCC)=O)CCCC3,0.0
18003,CO-ADD:0217987,9.65,N(\C(=C/c(cc1)ccc1Br)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
18004,CO-ADD:0218027,9.65,C(=N\Nc(cc1)ccc1Br)(/C2=O)\C(=O)NC(=S)N2,0.0
18005,CO-ADD:0218492,9.65,C(NCCCCCCCCCCCCCCCCCC)(=O)Nc1ccc(c(OC)c1)OC,0.0
18006,CO-ADD:0218020,9.65,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3,0.0
18007,CO-ADD:0217058,9.65,C(Oc(cccc1C(=O)Nc(cc2)ccc2F)c1)(=S)Nc(cc3)ccc3Cl,0.0
18008,CO-ADD:0217115,9.65,c1(c(CCN(C)C1)nc(c2C#N)SCc(cc3)ccc3F)c2c4cccs4.Cl,0.0
18009,CO-ADD:0217023,9.65,c1(O)c(OCC)cc(cc1Br)\C=N\c(cc2)ccc2N(CC3)CCO3,0.0
18010,CO-ADD:0216950,9.65,C(=O)(N\N=C\c1ccccc1)C(=O)NC(C)c2ccccc2,0.0
18011,CO-ADD:0216998,9.65,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c3ccccc3CC,0.0
18012,CO-ADD:0220204,9.65,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(CNc(cc2)ccc2C)=O,0.0
18013,CO-ADD:0220021,9.65,c1(cc(cc(Cc(cc2[N+](=O)[O-])c3cc2)c13)[N+](=O)[O-])[N+](=O)[O-],0.0
18014,CO-ADD:0219275,9.65,c1(O)c(cc(cc1C(C)(C)C)\C=N\C2CCCCC2)C(C)(C)C,0.0
18015,CO-ADD:0220861,9.65,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc2ccccc2O,0.0
18016,CO-ADD:0220845,9.65,c(c(Br)c1Br)c(NCC(=O)N\N=C(/C)\CCc2ccccc2)c(c1)Br,0.0
18017,CO-ADD:0219373,9.65,[N+](=O)([O-])c1cccc(c1)NC(=O)c2ccc(cc2)Oc(cc3)ccc3C(=O)Nc(cccc4[N+](=O)[O-])c4,0.0
18018,CO-ADD:0154597,9.65,ClC1=NC2=CC(OC)=CC=C2C=C1C3C(C(C)=O)=C(OC4=C3C(N)=C5C(CCC5)=N4)C,0.0
18019,CO-ADD:0154602,9.65,CC1=CC=C(N=C(Cl)C(/C=N/NCC2=CC=CC=C2)=C3)C3=C1,0.0
18020,CO-ADD:0154594,9.65,ClC1=NC2=CC(OC)=CC=C2C=C1C3C(C(CC(C)(C)C4)=O)=C4OC5=C3C(N)=C6C(CCCC6)=N5,0.0
18023,CO-ADD:0165958,9.65,C(=O)(Nc(cc1)ccc1C(OCC)=O)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O,0.0
18024,CO-ADD:0166742,9.65,C(OCc1ccccc1)(=O)NCC(=O)NCC(NCC)=O,0.0
18025,CO-ADD:0166431,9.65,C(F)(F)(C(F)(F)COc1ccccc1\N=C\c(cc(Cl)cc2Cl)c2O)C(F)(F)C(F)F,0.0
18026,CO-ADD:0165943,9.64,C(=O)(C\C(\C)=N/NC(COc(cc(C)c(c1)Br)c1Br)=O)Nc2c(C)ccc(Cl)c2,0.0
18027,CO-ADD:0166309,9.64,N1(CC(CC1=O)C(=O)N\N=C\c(cc2)ccc2I)c3cc(C)ccc3C,0.0
18028,CO-ADD:0166002,9.64,N(=C(/C)\c1cccc(Br)c1)/NC(=O)Cc2cccc(cccc3)c23,0.0
18029,CO-ADD:0226104,9.64,S(=O)(=O)(N(c1ccc(cc1)F)Cc2ccccc2F)c3cccn(c(nn4)CC)c34,0.0
18030,CO-ADD:0226786,9.64,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4cccc(OC)c4)c(nn1)C(C)C,0.0
18031,CO-ADD:0226834,9.64,C1(=N2)N(c3c(cccc3)N=C1Oc(cc4)ccc4C)C(N2CC(=O)Nc5ccccc5C(F)(F)F)=O,0.0
18032,CO-ADD:0225348,9.64,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc5c(CC)cccc5C,0.0
18033,CO-ADD:0219154,9.64,[N+](=O)([O-])c1cccc(c1)NC(CCCCCCCCCCC(=O)Nc(cccc2[N+](=O)[O-])c2)=O,0.0
18034,CO-ADD:0219828,9.64,N(c1ccccc1Br)C(COc2ccccc2)=O,0.0
18035,CO-ADD:0220508,9.64,C(=C/c1ccccc1O)(/NC(c2ccccc2)=O)\C(=O)N\N=C\C(\C)=C\c3ccco3,0.0
18036,CO-ADD:0220965,9.64,C(=N/NC(COc1ccccc1OC)=O)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
18037,CO-ADD:0220982,9.64,C(=N/NC(=O)c1ccc(cc1)O)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
18038,CO-ADD:0217901,9.64,C1(=O)C(CC(c2ccccc2)=O)c3c(cccc3)N1.O,0.0
18039,CO-ADD:0217909,9.64,C(=O)(c1ccc(cc1)N)Nc(cc2)ccc2C(OCC)=O,0.0
18040,CO-ADD:0225457,9.64,c12n(ccn(c(nn3)CCC(=O)NCc4cccs4)c13)nc(c5ccc(cc5)OC)c2,0.0
18041,CO-ADD:0225465,9.64,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc(cc5)ccc5F)=O,0.0
18042,CO-ADD:0225593,9.64,N12C(=NN(CC(=O)Nc3c(C)cc(cc3C)C)C1=O)N(C(=O)c(n(cc4c5ccccc5)C)c24)C,0.0
18043,CO-ADD:0215709,9.64,C(=O)(c1ccc(cc1)Cl)Nc(cc2)ccn2,0.0
18044,CO-ADD:0215325,9.63,C1(C#N)(C#N)C(c2cccc(OC)c2)C(C3)C(C(C#N)=C1N)=CCN3C(C)C,0.0
18045,CO-ADD:0215725,9.63,s1c(c(cc2)ccc2[N+](=O)[O-])nnc1NC(=O)c3ccccc3C,0.0
18046,CO-ADD:0215141,9.63,S(=O)(=O)(c1ccc(cc1)N\C=C(\C(C)=NN2c3ccccc3)/C2=O)Nc4nc(C)cc(C)n4,0.0
18047,CO-ADD:0165006,9.63,Cn1cnc(c1Sc1[nH]cnc2ncnc12)[N+]([O-])=O,0.0
18048,CO-ADD:0164961,9.63,CCN(CC)CC(=O)Nc1c(C)cccc1C,0.0
18049,CO-ADD:0164977,9.63,CCN(CC)C(=S)SSC(=S)N(CC)CC,0.0
18050,CO-ADD:0217163,9.63,C1(C2c3ccccc3I)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
18051,CO-ADD:0217035,9.63,C(C(c1ccccc1)=O)C(c(cc2)ccc2C(OC)=O)Nc(cc3)ccc3CCCC,0.0
18052,CO-ADD:0217043,9.63,N1(CNc2ccccc2I)C(=O)\C(\SC1=S)=C\c3ccc(C)o3,0.0
18053,CO-ADD:0217140,9.63,C1(C#N)(C#N)C(N)=C(C#N)C(C(C2)C13CCN(CC3)C)=CCN2C,0.0
18054,CO-ADD:0216956,9.63,C(C(C)SCc1ccccc1)(=O)N\N=C\c(cc2)ccc2OCC=C,0.0
18055,CO-ADD:0216996,9.63,n1c(N\N=C(\C)/c2ccc(cc2)Br)scc1c3cccc(cccc4)c34.Br,0.0
18056,CO-ADD:0219806,9.63,N(/c(cc1)ccc1Br)=C\c(cc2)ccc2OCc(cc3)ccc3Br,0.0
18057,CO-ADD:0220173,9.63,N(=C\c(ccc(c1OC)OC)c1)/c2ccc(cc2C)I,0.0
18058,CO-ADD:0220217,9.63,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc(cc2Br)cc(c2C)Br)=O,0.0
18059,CO-ADD:0220256,9.63,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C(/C)\c2ccc(cc2)CC,0.0
18060,CO-ADD:0156639,9.63,NC([C@@H](NC(C1=CN=CC=C1)=O)CC2=CC=CC=C2)=O,0.0
18061,CO-ADD:0216910,9.63,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c3ccccc3Cl,0.0
18062,CO-ADD:0217542,9.63,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c(cc3OC)cc(c3OC)OC)=C\c4cccs4,0.0
18063,CO-ADD:0166684,9.63,C(C(OCC)=O)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3cccc(c3)OCc4ccccc4,0.0
18064,CO-ADD:0166285,9.63,C(=O)(Nc1ccccc1OCC)C(=O)NC(C)c2ccccc2,0.0
18065,CO-ADD:0166388,9.63,c1(\C=N\NC(CSCc2ccccc2Cl)=O)c(cccc1Cl)Cl,0.0
18066,CO-ADD:0166385,9.62,c1(O)c(cccc1\C=N\NC(CCCc(ccc(c2C)OC)c2)=O)O,0.0
18067,CO-ADD:0225932,9.62,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)N(CC4)CCN4c5ccccc5OC)C2=O,0.0
18068,CO-ADD:0226815,9.62,C1(=N2)N(C=Cn(nc(c3ccc(cc3)C)c4)c14)C(N2CC(=O)Nc5ccc(cc5OC)OC)=O,0.0
18069,CO-ADD:0226520,9.62,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC#N,0.0
18070,CO-ADD:0226544,9.62,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCc(cc4)ccc4Cl,0.0
18071,CO-ADD:0226565,9.62,c12n(C=CN(c3cccc(F)c3)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4Br,0.0
18072,CO-ADD:0220284,9.62,c1(cc(C)cc(I)c1O)\C=N\c2cc(C)ccc2O,0.0
18073,CO-ADD:0220486,9.62,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(=O)\C(=C\C=C\c3ccccc3)\NC(c4ccccc4)=O,0.0
18075,CO-ADD:0219173,9.62,N(=C\c1ccccc1Cl)/NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
18076,CO-ADD:0220178,9.62,C(=O)(c1ccc(cc1)NC(CCCCC)=O)OC2CCCCCCCCCCC2,0.0
18077,CO-ADD:0220252,9.62,N(\C(\C(O1)=O)=C/c2c(OCC)ccc(cccc3)c23)=C1c4cccc(I)c4,0.0
18078,CO-ADD:0225500,9.62,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5cccc(OC)c5)=O,0.0
18079,CO-ADD:0225532,9.62,c12n(c3c(cccc3)nc1SCc4c(C)oc(c5cccc(C)c5)n4)c(nn2)C,0.0
18080,CO-ADD:0225529,9.62,n(c1c(cccc1)nc2SCc(c(C)oc3c4cccc(OC)c4OC)n3)(c(C(C)C)nn5)c25,0.0
18081,CO-ADD:0225466,9.62,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc5ccccc5OCC)=O,0.0
18082,CO-ADD:0166262,9.62,n1(Cc2ccccc2)c3c(cc1CC(=O)Nc4ccccc4)cccc3,0.0
18083,CO-ADD:0166202,9.62,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(cc2OCC)cc(c2O)Cl,0.0
18084,CO-ADD:0166228,9.62,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(ccc(c34)OCO3)c4,0.0
18085,CO-ADD:0215358,9.62,C(C(OCC)=O)(=C(CSc1c(ccc(c2cccs2)n1)C#N)OC(=C3C#N)N)C3c4ccccc4I,0.0
18086,CO-ADD:0164644,9.62,COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1.Cl,0.0
18087,CO-ADD:0165024,9.62,CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1.Cl,0.0
18088,CO-ADD:0164652,9.62,C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1.O.Cl,0.0
18089,CO-ADD:0164957,9.62,CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1.OC(=O)/C=C\C(=O)O,0.0
18090,CO-ADD:0164563,9.62,CC[N+](C)(C)c1cccc(O)c1.[Cl-],0.0
18091,CO-ADD:0164551,9.62,COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC.O.Cl,0.0
18092,CO-ADD:0217143,9.62,C1(C#N)(C#N)C(c2ccccc2Cl)C3C(C(C#N)=C1N)=CCC(C(C)(C)C)C3,0.0
18093,CO-ADD:0216959,9.62,C(=O)(N\N=C\c1cccc(OC)c1)C(NCCC)=O,0.0
18094,CO-ADD:0217289,9.62,N1(CNc2c(C)cc(cc2C)Br)C(=O)\C(\SC1=O)=C\c3ccc(C)o3,0.0
18095,CO-ADD:0217505,9.61,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c3cccc(Br)c3)=C\c4cccs4,0.0
18096,CO-ADD:0219746,9.61,c1(\C=N\NC(=O)c(cc2)ccc2N(C)C)c(cccc1Cl)Cl,0.0
18097,CO-ADD:0221196,9.61,S(=O)(=O)(c(cccc1c2nnc(c3ccc(cc3)C)o2)c1)N(CC4)CCO4,0.0
18098,CO-ADD:0221156,9.61,c1(c2)c(cc(OC)c2NC(=O)c(cc3)ccc3[N+](=O)[O-])c4c(cccc4)o1,0.0
18099,CO-ADD:0219353,9.61,C(=O)(C\C(\C)=N\NC(CCCC)=O)Nc1c(OC)ccc(OC)c1,0.0
18100,CO-ADD:0221835,9.61,C(C#N)(C1c2ccc(cc2)F)=C(SCC(N)=O)NC(C)=C1C(C)=O,0.0
18101,CO-ADD:0219408,9.61,c1(O)c(OC)cc(cc1Br)\C=N\NC(Cc2ccccc2)=O,0.0
18102,CO-ADD:0158292,9.61,O=C(C1=CC(O)=CC=C1)N/N=C/C2=C(Cl)OC(C3=CC=CC=C3)=N2,0.0
18103,CO-ADD:0158308,9.61,OC1(C2=CC=CC=C2)CC(C)N(C(C)C)C[C@@H]1C.Cl,0.0
18104,CO-ADD:0157941,9.61,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(OC2=CC(/C=N/C(C=CC=C3)=C3C)=CC=C2)=O)=C1)=O,0.0
18105,CO-ADD:0158165,9.61,O=C(CSCC1=CC=C(Cl)C=C1)N/N=C/C(C=CC=C2)=C2O,0.0
18106,CO-ADD:0158197,9.61,N#CC1=C(N)SC(C2)=C1CCN2CC3=CC=CC=C3,0.0
18107,CO-ADD:0226000,9.61,C1(=N2)N(C=CN=C1N3CCCC3)C(N2CC(=O)Nc(cc4)ccc4OC)=O,0.0
18108,CO-ADD:0226872,9.61,c12n(cnn1)c3c(cccc3)nc2SCC(=O)Nc(cc4)ccc4NC(C)=O,0.0
18109,CO-ADD:0222410,9.61,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(c(cc2)ccn2)=O,0.0
18110,CO-ADD:0222205,9.61,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(=O)Cc3ccc(c(cccc4)c34)Br,0.0
18111,CO-ADD:0222803,9.61,c1(c2)c(cc(OC)c2NC(=O)C\C(\C)=N\NC(=O)c(cc3)ccc3[N+](=O)[O-])c4c(cccc4)o1,0.0
18112,CO-ADD:0220484,9.61,[N+](=O)([O-])c(cc1)ccc1\C=C(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3ccccc3OC(=O)c(cc4)ccc4[N+](=O)[O-],0.0
18113,CO-ADD:0219781,9.61,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C(/C)\c3cccc(c3)NC(C)=O,0.0
18114,CO-ADD:0219691,9.61,c1(c(Cl)ccc(Cl)c1)NC(CCC(=O)N\N=C\c2cc(Br)ccc2O)=O,0.0
18115,CO-ADD:0165912,9.61,C(=O)(Nc(cc1)ccc1Cl)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
18116,CO-ADD:0165855,9.61,[C@@H]1(C[C@@H]2S\N=C\c3ncc[nH]3)[C@@H](C1(C)C)C[C@H]2C,0.0
18117,CO-ADD:0166225,9.61,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(COc(ccc(c2C)C)c2)=O)c1,0.0
18118,CO-ADD:0165839,9.61,C(C(C(c(non1)c1N)=NC2(C)C)(C2)C(C)=CC3=O)=C3C(C)C,0.0
18119,CO-ADD:0165898,9.61,C(=O)(Nc(cc1)ccc1C(N)=O)C\C(\C)=N\NC(=O)c2ccc(cc2)NC(C)=O,0.0
18120,CO-ADD:0166034,9.6,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(=O)c2cccc(Br)c2)c1,0.0
18121,CO-ADD:0215094,9.6,C(=C/NC(OCC)=O)(/C(=O)NC(N1)=S)\C1=O,0.0
18122,CO-ADD:0215126,9.6,n1(c2c(n3)cccc2)c3c(c(C)c(\C=N\c(cc4)c(C)cc4[N+](=O)[O-])c1O)C#N,0.0
18123,CO-ADD:0215150,9.6,N(/c(cc1)ccc1\N=C\c(ccc(c2OCC=C)OCC=C)c2)=C\c(ccc(c3OCC=C)OCC=C)c3,0.0
18124,CO-ADD:0215303,9.6,c1(C#N)c(SCC(=O)Nc2ccccc2)nc(cc1c3ccccc3[N+](=O)[O-])c4ccccc4,0.0
18125,CO-ADD:0164567,9.6,OCc1cccnc1,0.0
18126,CO-ADD:0164607,9.6,COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1.Cl,0.0
18127,CO-ADD:0164722,9.6,COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1)C(C)C.[Na+],0.0
18128,CO-ADD:0164704,9.6,CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O,0.0
18130,CO-ADD:0164739,9.6,COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC.[Na+],0.0
18131,CO-ADD:0294754,9.6,N1(Cc2ccccc2)C(=O)c(cc(CCCC3)c3n4)c4N=C1S,0.0
18132,CO-ADD:0292891,9.6,n12c(cc(C(=O)Nc3ccc(cc3Cl)Cl)n1)nc4c(CCc(cccc5)c45)c2C(F)(F)F,0.0
18133,CO-ADD:0294481,9.6,N1(c2ccc(cc2)OC(F)(Cl)F)C(=O)C(CC1=O)S\C(=N/CCCCCCC)\Nc(cc3)ccc3OC,0.0
18134,CO-ADD:0293991,9.6,S(=O)(=O)(CCc1sc(c2n1)cccc2)c3ccc(cc3)Br,0.0
18135,CO-ADD:0293920,9.6,n1c(N2CCC(CC2)C)c(Nc3cccc(C)c3)nc(non4)c14,0.0
18136,CO-ADD:0294445,9.6,C(C(=O)OC(C)CC)(C1c(cc2)ccc2[N+](=O)[O-])=C(C)NC(CC(c3ccccc3)CC4=O)=C14,0.0
18137,CO-ADD:0294594,9.6,S(c1ccccc1)(=O)(=O)NC(C)(C)CN(CC2)CCN2C(c3ccccc3)c4ccccc4,0.0
18138,CO-ADD:0295472,9.6,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)OCCC)cccc4,0.0
18139,CO-ADD:0295033,9.6,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)Nc(cc3)ccc3CCO,0.0
18140,CO-ADD:0292209,9.6,n(c(Oc1ccccc1)cc(n2)F)c2N,0.0
18141,CO-ADD:0293409,9.6,c1(nc(c2n1CC(=O)Nc3ccc(c(OC)c3)OC)cccc2)c4nonc4N,0.0
18142,CO-ADD:0292573,9.6,C1(c2c(cccc2Cl)Cl)N(CCCN1Cc(cc3)ccc3OC)Cc(cc4)ccc4OC,0.0
18143,CO-ADD:0287032,9.6,C(=CC(C)=NC1=S)(\C(=C/c(ccc2c(cccc3[N+](=O)[O-])c3)o2)\OC4=O)C14,0.0
18144,CO-ADD:0286464,9.6,C(=O)(c1ccc(cc1)OC)Nc2cc(C)ccc2O,0.0
18145,CO-ADD:0287161,9.6,C1(C)(C)C(C1\C=C(\Cl)/Cl)C(=O)Nc(cc2)ccc2C(OC)=O,0.0
18146,CO-ADD:0287857,9.6,c12c(n(cn1)CC#N)C(N(C)C(=O)N2C)=O,0.0
18147,CO-ADD:0285134,9.6,C(=C/c1ccccc1Cl)(/C(C)=NN2c(ccc(c3C(O)=O)Cl)c3)\C2=O,0.0
18148,CO-ADD:0290394,9.6,C(=O)(Nc(cc1)ccc1C(O)=O)c2ccccc2NC(CC(C)C)=O,0.0
18149,CO-ADD:0287132,9.6,C1([N+](=O)[O-])=CC([N+](=O)[O-])C(C([N+](=O)[O-])C12)CC(=O)C2(CC)C(OCC)=O,0.0
18150,CO-ADD:0287453,9.6,c1(C2(CCC(CC2)C)NC(C)=O)nnnn1c3cccc(Cl)c3,0.0
18151,CO-ADD:0289368,9.6,c1(C(=O)NCc2ccccc2)nn(c(CN3)c1C3)C.Cl,0.0
18152,CO-ADD:0290586,9.59,C1(C(Cl)(Cl)Cl)=CC(C2(CCCCC2)O1)=O,0.0
18153,CO-ADD:0299303,9.59,C(NCC1CCCO1)(=S)Nc(cc2)ccc2OC,0.0
18154,CO-ADD:0287243,9.59,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCN3C\C=C\c4ccccc4)C1=O,0.0
18155,CO-ADD:0287271,9.59,c12c(nnc(SCC(=O)Nc3ncccn3)n1)c4c(cccc4)n2CC=C,0.0
18156,CO-ADD:0287607,9.59,N1(c2c(C)ccc(c2)[N+](=O)[O-])C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(cc4OC)cc(c4OC)OC,0.0
18157,CO-ADD:0292790,9.59,N1(N=CN2N)C2NN=C1SCC(=O)Nc3nnc(SCC(=O)Nc(ccc(c4Cl)Cl)c4)s3,0.0
18158,CO-ADD:0292445,9.59,c12c(C(N(C)C(=O)N1C)=O)n(c3n2)CC(=NN3C)c4ccc(cc4)Cl,0.0
18159,CO-ADD:0292289,9.59,c1(scc(c2ccc(cc2)Cl)n1)N3CC(CC3C4)(C)CC4(C)C,0.0
18160,CO-ADD:0295258,9.59,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3C(=O)c4ccc(cc4)Cl)[N+](=O)[O-],0.0
18161,CO-ADD:0293884,9.59,N1(c2c(C)cc(cc2C)C)C(=O)NC(\C(=C/c(cc3)ccc3N4CCCC4)\C1=O)=O,0.0
18162,CO-ADD:0295838,9.59,c1(NC(CSc2[nH]c(c3n2)cccc3)=O)sc(c(CCN4C)c1C(OCC)=O)C4,0.0
18163,CO-ADD:0292370,9.59,C1(C(c(cc2)ccc2C(C)(C)C)c(ccc(c34)cccc3)c4N5)=C5CC(C)(C)CC1=O,0.0
18164,CO-ADD:0294967,9.59,C(c1ccc(cc1)OC)(c2ccc(cc2)OC)NC(CC)=O,0.0
18165,CO-ADD:0294994,9.59,N1(C(=O)c2c(cccc2)C1=O)c3nnc(SCC(=O)NC4=C(C)N(N(c5ccccc5)C4=O)C)s3,0.0
18166,CO-ADD:0294995,9.59,S(=O)(=O)(c1ccc(c(C)c1)Cl)Nc(cccn2)c2,0.0
18167,CO-ADD:0296019,9.59,C1(C(C)=O)=C(O)C(OC1c2ccc(cc2)Br)=O,0.0
18168,CO-ADD:0293276,9.59,c1(NC(=O)c2ccccc2F)n(c3ccccc3)ncc1C(=O)N(CC4)CCO4,0.0
18169,CO-ADD:0294710,9.59,C12=C(CCCC1=O)c3c(ccc4c3cccn4)NC2c5cccc(Cl)c5,0.0
18170,CO-ADD:0294668,9.59,c1(C(c2ccccc2)=O)oc(c3c1N)ccc(Cl)c3,0.0
18171,CO-ADD:0293719,9.59,c(c(C)nc1NC(CC)=O)(s1)c2csc(Nc(cccc3C(O)=O)c3)n2,0.0
18172,CO-ADD:0295251,9.59,c1(C(=O)c2ccc(cc2)OC)no[n+]([O-])c1C(=O)c3ccc(cc3)OC,0.0
18173,CO-ADD:0294719,9.59,S(=O)(=O)(c1ccc(cc1)C)\N=C(\CNC(C)C)/N(CC2)CCO2,0.0
18174,CO-ADD:0295179,9.59,N1(CC(=O)c2ccc(cc2)Cl)c3c(N(CC)C1=N)cccc3.Br,0.0
18175,CO-ADD:0289174,9.59,C(c1ccccc1)(CC(O)=O)c2cccc(Cl)c2,0.0
18176,CO-ADD:0288973,9.59,N12C(=NCC1)c3c(Sc(cc(C(OC)=O)cn4)c24)cccc3,0.0
18177,CO-ADD:0289160,9.59,C(=O)(OC(C)(C)C)N(CCOc(ccc(C(C)=O)c1)c12)C2,0.0
18178,CO-ADD:0287135,9.59,N(C(OC(C)=O)C(N1)OC(C)=O)C1=O,0.0
18179,CO-ADD:0287200,9.59,c1(NC(COC(=O)c2ccccc2NC(CC)=O)=O)sc(c(ccc3C(OC)=O)n1)c3,0.0
18180,CO-ADD:0287208,9.59,c12c(ncnc1N(CC3)CCO3)c4c(cccc4)[nH]2,0.0
18181,CO-ADD:0287805,9.59,c1(O2)c(c([nH]n1)CCC)C(C(C#N)=C2N)c(cc3)ccn3,0.0
18182,CO-ADD:0287142,9.59,c1(N)c(OC)cc(nc1Cl)C,0.0
18183,CO-ADD:0299352,9.58,n1(c2ccc(cc2)F)nnnc1SCc3ccc(cc3Cl)Cl,0.0
18184,CO-ADD:0287304,9.58,N1(N=C(S2)SCC(c3ccccc3)=O)C2=Nc(cccc4)c4C1=O,0.0
18185,CO-ADD:0287369,9.58,N1(c2ccc(cc2)OCC)C(=O)CC(N(Cc3ccco3)C(=O)c4ccc(cc4)Cl)C1=O,0.0
18186,CO-ADD:0287306,9.58,S(=O)(=O)(c1ccc(cc1)OC)N(Cc2ccccc2)CC(=O)Nc3ccc(cc3Cl)Cl,0.0
18187,CO-ADD:0287260,9.58,c(C(=O)c(cc1)ccc1C2CCCCC2)(sc(c34)nc(cc3c5ccccc5)c6ccccc6)c4N,0.0
18188,CO-ADD:0287644,9.58,C(/SC(N1C2CCCCC2)=S)(\C1=O)=C(/S\C(\C3=O)=C(/Sc(c45)ccc(OC)c4)\N5C)\N3C6CCCCC6,0.0
18189,CO-ADD:0287380,9.58,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5ccc(cc5)F)C6=C2CCCC6=O)C#N,0.0
18190,CO-ADD:0295746,9.58,c1(NC(=O)c2cccs2)n(CC)c3c(cccc3)n1,0.0
18191,CO-ADD:0293215,9.58,S1(=O)(=O)c(cccc2)c2C(N(C)CCOC(=O)C(CC(N3c4ccccc4)=O)C3)=N1,0.0
18192,CO-ADD:0293207,9.58,N1(Cc2c(cccc2Cl)Cl)c(cccc3)c3\C(=C(\C#N)/C(N)=O)\C1=O,0.0
18193,CO-ADD:0293741,9.58,n(Cc1ccc(cc1Cl)Cl)(c2c(c3C=O)cccc2)c3C,0.0
18194,CO-ADD:0295956,9.58,N1(O)C(C)(C)CC(CC1(C)C)NC(=O)c2ccccn2.Cl.Cl,0.0
18195,CO-ADD:0295435,9.58,c1(ccoc1C)C(=O)OCC(=O)Nc(cc2)ccc2F,0.0
18196,CO-ADD:0292798,9.58,N(c1sccn1)(C2c3ccc(cc3)F)C(=O)C(=C2C(=O)c(cc4)ccc4[N+](=O)[O-])O,0.0
18197,CO-ADD:0295052,9.58,S(N)(=O)(=O)c1ccc(cc1)NC(CSc2nsc(SCC(=O)Nc(cc3)ccc3S(N)(=O)=O)n2)=O,0.0
18198,CO-ADD:0295484,9.58,c1(cc(ccc1N2CCC(CC2)Cc3ccccc3)[N+](=O)[O-])C(=O)c4ccc(cc4)Cl,0.0
18199,CO-ADD:0293437,9.58,C(C(F)(F)F)(C(F)(F)F)(NC1=NCCS1)NC(=O)c2ccco2,0.0
18200,CO-ADD:0293357,9.58,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5)ccc5C(F)(F)F)cccc4,0.0
18201,CO-ADD:0292766,9.58,c12c(c(nn1c3ccccc3)C)cc(C(=O)N4CCC(CC4)C(OCC)=O)s2,0.0
18202,CO-ADD:0294416,9.58,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c5c4C(OCC)=O)CCCC5)c1Cl,0.0
18203,CO-ADD:0294287,9.58,N1(c2ccc(cc2[N+](=O)[O-])Cl)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccccc4C(F)(F)F,0.0
18204,CO-ADD:0295180,9.58,N1(CC(=O)C23CC4CC(CC(C4)C2)C3)c5c(N(CC)C1=N)cccc5.Br,0.0
18205,CO-ADD:0294079,9.58,c1([nH]cc(c2ccc(cc2C)C)n1)NC(=O)C3CC3,0.0
18206,CO-ADD:0288556,9.58,n(C(CC1)CCN1)(c(C)cn2)c2COC.Cl.Cl,0.0
18207,CO-ADD:0288767,9.58,C12(CCN(CC1)C(c(c3)oc([N+](=O)[O-])c3)=O)CC(CCO2)Cc4ccc(OC)cc4,0.0
18208,CO-ADD:0300075,9.58,n1nc(c2n1OCC(=O)Nc3nnc(SCC)s3)ccc(c2)[N+](=O)[O-],0.0
18209,CO-ADD:0300012,9.58,c1(nc(c2n1Cc(ccc(c3Cl)Cl)c3)cccc2)c4nonc4NC(CC)=O,0.0
18210,CO-ADD:0299853,9.58,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c3cccc(OC)c3OC)\C1=O)=O,0.0
18211,CO-ADD:0299360,9.58,n1(c2ccc(cc2)F)nnnc1SCC(=O)Nc(ccc(c34)OCO3)c4,0.0
18212,CO-ADD:0291669,9.58,c1(NC(C)=O)sc2c(ccc(\C=N\O)c2Cl)c1C(OCC)=O,0.0
18213,CO-ADD:0286969,9.58,C(=C/c(cc1)ccc1OC(c2ccccc2)=O)(/C3=O)\C(c4ccccc4)=NO3,0.0
18214,CO-ADD:0288005,9.57,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(cc4OC)cc(c4O)OC,0.0
18215,CO-ADD:0286617,9.57,c1(C2c3ccc(cc3)OCC)c(CCN2C(=O)c4ccco4)c5c(cccc5)[nH]1,0.0
18216,CO-ADD:0287621,9.57,c1(cc(cc(C(c2c(cccc2)N3)=O)c13)[N+](=O)[O-])[N+](=O)[O-],0.0
18217,CO-ADD:0290572,9.57,N1(Cc2ccco2)C(=O)CSC1=S,0.0
18218,CO-ADD:0288675,9.57,C(=O)(OC(C)(C)C)N(CCC1c2n(Cc3ccccc3)c(cn2)C)CC1,0.0
18219,CO-ADD:0290646,9.57,N1(C(c2ccc(cc2)F)CC(c3ccc(cc3)Br)=N1)C(=O)Nc4ccccc4,0.0
18220,CO-ADD:0299148,9.57,C1(C(=O)OCC2CCCO2)=C(C)NC(=C3C1c(ccc4c5c(cccc6)c6n4CC)c5)CCCC3=O,0.0
18221,CO-ADD:0290577,9.57,N1(Cc2ccco2)C(=O)\C(\SC1=S)=C/c3ccccn3,0.0
18222,CO-ADD:0293733,9.57,C1(C2=O)C(C(N(CCC3)N13)c4ccc(cc4)Cl)C(N2c5ccc(cc5)Br)=O,0.0
18223,CO-ADD:0292878,9.57,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc(cc4)c(Cl)cc4[N+](=O)[O-])n2,0.0
18224,CO-ADD:0294945,9.57,[N+](=O)([O-])c(ccc(c12)nc(c(NCCO)n1)NCCO)c2,0.0
18225,CO-ADD:0294687,9.57,C(=C(\Nc(cc1)ccc1C)/C#N)(/C(=O)c(c23)cccc2)\C3=O,0.0
18226,CO-ADD:0294673,9.57,c1(C(=O)c2ccc(cc2)C)coc(ccc(O)c3CN(C)C)c13.Cl,0.0
18227,CO-ADD:0295247,9.57,c1(ccc(cc1NC(=O)c2cccs2)[N+](=O)[O-])C(=O)N3CCC(CC3)C(N)=O,0.0
18228,CO-ADD:0295935,9.57,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccccc3OC(=O)c4ccccc4Cl,0.0
18229,CO-ADD:0295395,9.57,c1(OC(N)=C(C2c3ccc(c(O)c3)OC)C#N)c2c(n[nH]1)CCC,0.0
18230,CO-ADD:0293563,9.57,c1(c2c3ccccc3)c([nH]n2)OC(=C(C(OCC)=O)C14c5c(NC4=O)cccc5)N,0.0
18231,CO-ADD:0294712,9.57,N1(c2ccccc2)Sc3c(ccc(c3)[N+](=O)[O-])C1=O,0.0
18232,CO-ADD:0294657,9.57,c1(C(OCC)=O)c2c(oc1CSc3sc(c4n3)cccc4)ccc(OC)c2,0.0
18233,CO-ADD:0292554,9.57,c1(OC(=O)C=C2C)c2ccc3c1\C(\CO3)=N/N,0.0
18234,CO-ADD:0287685,9.57,N(C(C)C1)(C(=O)c2cccc(F)c2)c3c(C1N(c4ccccc4)C(=O)c5cccc(F)c5)cccc3,0.0
18235,CO-ADD:0285659,9.57,S(c1ccccc1)(=O)(=O)CCCl,0.0
18236,CO-ADD:0299278,9.57,c1(C2c3c(cccc3F)Cl)c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
18237,CO-ADD:0287734,9.57,c(c1c2ccccc2)(C3c4ccc(c(OC)c4OC)OC)c([nH]n1)OC(N)=C3C#N,0.0
18238,CO-ADD:0299984,9.57,[N+](=O)([O-])c1cccc(Cl)c1CSc2sc(c3n2)cccc3,0.0
18239,CO-ADD:0287668,9.57,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(C4CCCCC4)=O)n1,0.0
18240,CO-ADD:0290306,9.57,N12C(S\C(=C\c(ccc(c3OC)OCc4ccccc4C#N)c3)\C1=O)=NC(C)=C(C(C)=O)C2c5c(OC)ccc(cccc6)c56,0.0
18241,CO-ADD:0285971,9.56,OC[C@H]1C[C@H]([C@H]2CCC[C@@H]12)/C=N/NC(C3=CC=NC=C3)=O,0.0
18242,CO-ADD:0299334,9.56,N1(CC2CCCO2)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
18243,CO-ADD:0285729,9.56,c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])(c1NC(OC)=O)S(=O)(=O)Cc2ccccc2,0.0
18244,CO-ADD:0286864,9.56,N(C(=O)\C(\S1)=C/c2ccccc2OC)=C1N3CCCC3,0.0
18245,CO-ADD:0286920,9.56,c1([N+](=O)[O-])nnn(C\C(\C)=N\NC(=O)c2c(cccc2F)F)n1,0.0
18246,CO-ADD:0286634,9.56,c1(NC(=O)C2=Cc3c(OC2=O)cccc3)sc(c4c1C(OCC)=O)CCCCCCCCCC4,0.0
18247,CO-ADD:0299508,9.56,C1(=S)NC(NN1c2ccccc2)(CC3)CCC3C(C)(C)CC,0.0
18248,CO-ADD:0291249,9.56,N1(Cc2ccccc2)C(=O)\C(\SC1=S)=C(/c3c(N4)ccc(c3)[N+](=O)[O-])\C4=O,0.0
18249,CO-ADD:0299261,9.56,C(NC(CCC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C#N)CCCC2,0.0
18250,CO-ADD:0287683,9.56,N1(c2ccc(cc2)OC)C(c3ccccc3OCc4c(cccc4Cl)Cl)N(N=C1C(C)=O)c5ccccc5,0.0
18251,CO-ADD:0286756,9.56,N1(C(OCC)=O)N=C(CC1(O)C(F)(F)F)CCC,0.0
18252,CO-ADD:0286764,9.56,N1(C(=O)c(c2C1=O)ccc(C(O)=O)c2)c3sc4c(ccc(OC)c4)n3,0.0
18253,CO-ADD:0287281,9.56,c12n(CCS1)cc(c3ccc(cc3)O)n2.Br,0.0
18254,CO-ADD:0287681,9.56,N12C(S\C(=C/c3c(OCC)ccc(cccc4)c34)\C1=O)=NC(C)=C(C(C)=O)C2c5ccccc5OC,0.0
18255,CO-ADD:0287676,9.56,N12C(S\C(=C\c(ccc(c3OC)O)c3)\C1=O)=NC(C)=C(C(C)=O)C2c4ccccc4OC,0.0
18256,CO-ADD:0293757,9.56,n1(C)c(SCC(=O)Nc2ccccc2F)nnc1c(cc3)ccc3[N+](=O)[O-],0.0
18257,CO-ADD:0293511,9.56,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)S\C(=N\c(cc3)ccc3Cl)\NC(c4ccccc4)c5ccccc5,0.0
18258,CO-ADD:0295389,9.56,C1(c2ccccc2[N+](=O)[O-])=N\C(\C(=O)O1)=C/c3c4c(cccc4)cc(cccc5)c35,0.0
18259,CO-ADD:0293536,9.56,n1cn(c(ccc(c2)NC(c3ccccc3)=O)c12)C,0.0
18260,CO-ADD:0293338,9.56,C(=C(C)NC(=C1C#N)SCC(=O)Nc2ccccc2C)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
18261,CO-ADD:0295542,9.56,N(CC1)(CCN1CCC(=O)Nc(cc2)ccc2OC(F)(F)F)c3ccc(cc3)Cl,0.0
18262,CO-ADD:0287622,9.56,c1(cc(C#N)c(cc1N2CCCCC2)C#N)[N+](=O)[O-],0.0
18263,CO-ADD:0287358,9.55,s1c(C)nnc1SCc(cc2)ccc2C(OC)=O,0.0
18264,CO-ADD:0290560,9.55,N1(C(C)C(O2)=O)C2(C)CC(C)(C)NC1=S,0.0
18265,CO-ADD:0291284,9.55,c12c(non1)nc(Nc3cccc(Cl)c3Cl)c(Nc4cccc(Cl)c4Cl)n2,0.0
18266,CO-ADD:0291183,9.55,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc4cccnc4Cl)c1Cl,0.0
18267,CO-ADD:0293286,9.55,C1(C(OCC)=O)=C(N)Oc(ccc(cccc2)c23)c3C1c4ccc(cc4)O,0.0
18268,CO-ADD:0295048,9.55,c12n(c3c(cccc3)n1)c(cc(COC)c2C#N)O,0.0
18269,CO-ADD:0293422,9.55,c1(c2)c(ccc2C(C)(CC3(C)C)c(cccc4)c4N3C)C(C)=CC(C)(C)N1C,0.0
18270,CO-ADD:0292593,9.55,n1c(c2ccccc2)c(cn1c3ccccc3)\C=C\C(=O)c4c(C)nc(c5c4c6ccccc6)ccc(Br)c5,0.0
18271,CO-ADD:0294747,9.55,N1(C(=O)C(C(C23)C1=O)C(c4c2cccc4)c(c35)cccc5)c6sc(c7c6C#N)CCCCC7,0.0
18272,CO-ADD:0293321,9.55,c1(c(N)ccc(C)c1Br)C(=O)C(=O)[O-].[Na+],0.0
18273,CO-ADD:0286586,9.55,N1(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C(=C\c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)\C1=O,0.0
18274,CO-ADD:0285179,9.55,N1(CC(=O)N(CC)CC)c(cccc2)c2\C(=N\NC(=O)c(cc3)ccc3C(C)(C)C)\C1=O,0.0
18275,CO-ADD:0286428,9.55,C(/N)(\NC(c1ccccc1)=O)=C(\C(C)=O)/C(C)=O,0.0
18276,CO-ADD:0286340,9.55,C12(N(CC3)CCO3)C(CCCC1)=Cc(c4O2)cccc4[N+](=O)[O-],0.0
18277,CO-ADD:0299521,9.55,c1(NC(Cc(cc2)ccc2OC)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc(ccc(c3Cl)C)c3,0.0
18278,CO-ADD:0290744,9.55,S(=O)(=O)(Oc1cccc(ccc(C)n2)c12)c3c(Cl)cc(c(Cl)c3)Cl,0.0
18279,CO-ADD:0291420,9.55,S(=O)(=O)(c1ccc(cc1)OCC)Nc(cccc2c3cn4c(cccc4)n3)c2,0.0
18280,CO-ADD:0287173,9.54,c1(C(=O)NC(=S)Nc(c(Cl)ccc2C(F)(F)F)c2)c(Cl)c3c(cccc3)s1,0.0
18281,CO-ADD:0286545,9.54,N12C(CO)(COC1c3ccc(cc3)C)COC2c4ccc(cc4)C,0.0
18282,CO-ADD:0288764,9.54,C1(CC(CC2)CC(N(Cc3ccccc3)C)=O)(O2)CCN(CC1)C(c(c4)oc([N+](=O)[O-])c4)=O,0.0
18283,CO-ADD:0299825,9.54,C(=C/c(ccc(c12)OCO1)c2)(/C(=O)NC(N3C)=O)\C3=O,0.0
18284,CO-ADD:0289159,9.54,C(OC)(=O)c1ccc(c(O)c1)C,0.0
18285,CO-ADD:0287528,9.54,n12c(nc(cc1C(F)(F)F)c3cccs3)cc(C(=O)NNC(=O)C4CC4)n2,0.0
18286,CO-ADD:0292109,9.54,c1(c(ccc(c2NC(=O)c3cccc(I)c3)C)c2)sc(c4n1)cccc4,0.0
18287,CO-ADD:0291528,9.54,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)c4cccc(cccc5)c45)ccc(OCC)c3,0.0
18288,CO-ADD:0291536,9.54,N1(c2c(cccc2)CCc(cccc3)c13)C(=O)\C=C\c(cc4)ccc4[N+](=O)[O-],0.0
18289,CO-ADD:0291432,9.54,C(C#N)(C(CC(N1)=O)c2cccc(F)c2)=C1SCC(OC)=O,0.0
18290,CO-ADD:0291833,9.54,C(/c1c(N2C)cccc1)(\C2=O)=C(\SC(N3NC(=O)c(cccn4)c4)=S)/C3=O,0.0
18291,CO-ADD:0294982,9.54,c1(SCC(=O)N(CC2)CCO2)nc(C)cc(C)c1C#N,0.0
18292,CO-ADD:0295419,9.54,C(C(F)(F)F)(C(F)(F)F)(NC(OCC)=O)Nc1sc(c2c1C(N)=O)CCC2,0.0
18293,CO-ADD:0295543,9.54,C(=O)(OC(C1)CC(NC12)CC2)c3ccc(c(OC)c3)OC,0.0
18294,CO-ADD:0295798,9.54,s1c(N)nnc1SCC(=O)Nc2ccccc2C#N,0.0
18295,CO-ADD:0294524,9.54,c(C(OCC)=O)(c(cc(O)c(c12)cccc1)c2n3Cc(ccc(c4OC)OC)c4)c3C,0.0
18296,CO-ADD:0292578,9.54,N1(c2c(SC1=S)cccc2)\C(\c3ccccc3)=N\Nc4ccccc4,0.0
18297,CO-ADD:0293227,9.54,n(c(cccc1)c12)c(c3ccccc3)c(n2)c(cc4)ccc4C(=O)c5ccc(cc5)F,0.0
18298,CO-ADD:0294008,9.54,N1(C(C)C)CC(CC1=O)C(O)=O,0.0
18299,CO-ADD:0286469,9.54,C(/c1c(N2)ccc(Br)c1)(\C2=O)=C(\SC(N3CC=C)=S)/C3=O,0.0
18300,CO-ADD:0286865,9.54,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)c4ccc(cc4)CC)cccc3,0.0
18301,CO-ADD:0286537,9.54,c12c(cccc1C(=O)N3CCCC3)C(C4Cl)C(C(c5ccc(cc5)Br)N2)CC4Sc6ccccc6[N+](=O)[O-],0.0
18302,CO-ADD:0290965,9.54,c1(c(Cl)cc(c(cccn2)c12)Cl)OC(=O)c3ccco3,0.0
18303,CO-ADD:0287976,9.54,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(cc5)SC)cccc4,0.0
18304,CO-ADD:0286613,9.54,C1(C(=O)NNC(=O)c2cccc(Br)c2)=Cc3c(OC1=O)cccc3,0.0
18305,CO-ADD:0291112,9.54,N1(C(=O)c2cccc(Cl)c2)C(C)(C)CC(c(cc(C)cc3)c13)(C)c4ccccc4,0.0
18306,CO-ADD:0291123,9.54,S(=O)(=O)(N(C)C1C2OC(C(O1)O3)OC(C3N4C)N(S4(=O)=O)C)N2C,0.0
18307,CO-ADD:0290324,9.54,C12(C#N)C(C)OC3(C(CCCC3)C1(C#N)C#N)OC2=N,0.0
18308,CO-ADD:0291068,9.54,S(=O)(=O)(c1c(OC)ccc(OC)c1)n2ccnc2CCC,0.0
18309,CO-ADD:0285983,9.53,Cl[C@@H]1[C@H]2C[C@@H](O)[C@@H](C1)[C@H]2/C=N/NOC(C3=CC=NC=C3)=O,0.0
18310,CO-ADD:0293995,9.53,n1(CC=C)c(SCc2ccc(cc2Cl)C#N)nnc1c3cccc(OC)c3,0.0
18311,CO-ADD:0295117,9.53,S(=O)(=O)(NC(=O)Nc1nc(C)cc(OC)n1)c2c(C)cc(nc2Cl)Cl,0.0
18312,CO-ADD:0293663,9.53,c1(NC(CCc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
18313,CO-ADD:0293901,9.53,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(=O)Nc3cc(ccc3N4CCCCC4C)C(F)(F)F)[N+](=O)[O-],0.0
18314,CO-ADD:0295336,9.53,C(=O)(c1ccco1)Oc2c(cccc2C=O)OC,0.0
18315,CO-ADD:0294334,9.53,c12c(ccc(cccc3)c13)C(CC(=O)N2)c4ccc(cc4)OC(F)(F)F,0.0
18316,CO-ADD:0285132,9.53,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(ccc(c3OC)OCc4ccccc4)c3)\C1=O)C,0.0
18317,CO-ADD:0285588,9.53,C12c(cccc3)c3C(C(C)C1C(=O)Nc4ccc(cc4Cl)Cl)c5c2cccc5,0.0
18318,CO-ADD:0291080,9.53,C(=N\OC(=O)c1ccc(c(OC)c1)OC)(/c2c3cccc2)\c(cccn4)c34,0.0
18319,CO-ADD:0299579,9.53,S(=O)(=O)(c1ccc(cc1)NC(C)=O)NC2CC2c3ccccc3,0.0
18320,CO-ADD:0288935,9.53,n12c(cc(C)n1)c3c(Oc(cc(C(OC)=O)cn4)c24)ccc(Cl)c3,0.0
18321,CO-ADD:0288636,9.53,C(=O)(OC(C)(C)C)N(CCC1Cn2c(C3CC3)ncc2C)CC1,0.0
18322,CO-ADD:0288692,9.53,n(CCC)(c(cn1)C)c1CCNC(=O)OC(C)(C)C,0.0
18323,CO-ADD:0289191,9.53,C(=O)(Nc1ccccc1)N2CCC(CCN)CC2.Cl,0.0
18324,CO-ADD:0289293,9.53,C(N)(=O)C(C)(CCN1)CC1.Cl,0.0
18325,CO-ADD:0289017,9.53,c1(C(=O)Nc(cc2)ccc2C)sc(nn1)COCC(O)=O,0.0
18326,CO-ADD:0288555,9.53,n(C(C1)CCN1)(c(C)cn2)c2COC.Cl.Cl,0.0
18327,CO-ADD:0288742,9.53,C1(OCCn2c(c3ccncc3)ncc2C)(CC(CC45)CC(C4)C1)C5,0.0
18328,CO-ADD:0289154,9.53,C(O)(C(CCO1)CC1)=O,0.0
18329,CO-ADD:0288659,9.53,C(OC(C)(C)C)(=O)N1CCC(CC1)CCn2c(C3CCC3)ncc2C,0.0
18330,CO-ADD:0285706,9.53,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3Cl)\N2Cc(cc4)ccc4Cl)N5CCCCC5.Br,0.0
18331,CO-ADD:0289383,9.53,S(C)(=O)(=O)N(Cc1ccccn1)C(C2)CN2.Cl.Cl,0.0
18332,CO-ADD:0291554,9.53,S(=O)(=O)(CC(c1ccc(c(OC)c1)OC)CS2(=O)=O)C2,0.0
18333,CO-ADD:0291858,9.53,n1(c2cc(C)ccc2OC(C)=O)nc(c3n1)cccc3,0.0
18334,CO-ADD:0291466,9.53,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccccc2Cl)Nc3onc(C)c3C,0.0
18335,CO-ADD:0291490,9.53,n1(n2)c(cc2C(=O)N(CC3)CCN3Cc4ccccc4)nc5c(CCc(cccc6)c56)c1C(F)(F)F,0.0
18336,CO-ADD:0292131,9.52,[N+](=O)([O-])c(cc1)cc(c1c2ccc(COC(=O)c3ccc(c(cccc4[N+](=O)[O-])c4)o3)o2)C,0.0
18337,CO-ADD:0295619,9.52,c12c(nnc(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n1)c(c4n2C)cc(cc4)Br,0.0
18338,CO-ADD:0296164,9.52,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3OC)OC)=C(O)C(N2c(cccn4)c4)=O.Cl,0.0
18339,CO-ADD:0293774,9.52,C(=N\c1ccccc1Cl)(/S\C(\C2=O)=C\c(ccc(c3OC)OCC(O)=O)c3)\N2,0.0
18340,CO-ADD:0296020,9.52,C1(C(C)=O)=C(Nc(cc2)ccc2Br)CC(C)(O)C(C(C)=O)C1c3ccc(c(OC)c3)OC,0.0
18341,CO-ADD:0295417,9.52,C1(C(F)(F)F)(C(F)(F)F)N=C(OCC)N(C2=N1)c3c(cccc3)S2,0.0
18342,CO-ADD:0295555,9.52,C(F)(C[N+](C)(C)C)([N+](=O)[O-])[N+](=O)[O-],0.0
18343,CO-ADD:0287699,9.52,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(=O)C3CC3)c4ccccc4,0.0
18344,CO-ADD:0286566,9.52,S(=O)(=O)(N1CCCCC1)c2csc(C(=O)Nc3ccccc3C)c2,0.0
18345,CO-ADD:0287006,9.52,C(=O)(Nc1ccccc1Cl)Nc2cccnc2Cl,0.0
18346,CO-ADD:0291396,9.52,n1c(C)c(CCCC)c(c(cccc2OC)c12)O,0.0
18347,CO-ADD:0291089,9.52,N1(CCCc(cc(CC)cc2)c12)C(=O)c(ccc3C(=O)N4CCCc(cc(CC)cc5)c45)s3,0.0
18348,CO-ADD:0294570,9.52,c1(c2c(sc1N)CCC2)C(=O)Nc3ccccc3C,0.0
18349,CO-ADD:0295597,9.52,C(C(c1ccccc1)=O)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCOC)=O,0.0
18350,CO-ADD:0295589,9.52,C(F)(F)(F)c(cc1)ccc1C(N)=O,0.0
18351,CO-ADD:0293886,9.52,N1(c2ccccc2)C(=O)\C(=C/c3cc(OCO4)c4cc3[N+](=O)[O-])\C(NC1=S)=O,0.0
18352,CO-ADD:0293592,9.52,n1(c2ccccc2)c(COc(ccc(c3C)C)c3)nnc1SCC(=O)Nc(cc4)ccc4NC(C)=O,0.0
18353,CO-ADD:0292823,9.52,S(N)(=O)(=O)c1ccc(cc1)NC(CSc2nnc(CC)[nH]2)=O,0.0
18354,CO-ADD:0291305,9.52,c1([N+](=O)[O-])ncn(C)c1NCC(O)=O,0.0
18355,CO-ADD:0300001,9.52,n1(c(cccc2C)c2n3)c3S\C(=C/c(ccc(c4O)OC)c4)\C1=O,0.0
18356,CO-ADD:0286690,9.52,c1(c(O)ccc2\C=N\NC(Cc3ccccc3)=O)c2cccn1,0.0
18357,CO-ADD:0287790,9.52,c1(C2c3cccc(c3)OCc4ccccc4)c(n[nH]c1C(C)(C)C)OC(N)=C2C#N,0.0
18358,CO-ADD:0299739,9.52,c12c(n(c(NCCO)n1)C)C(N(C)C(=O)N2C)=O,0.0
18359,CO-ADD:0285028,9.52,C12(\C=C\c3ccccc3)N(CC(=O)N1)c4c(cccc4)C2(C)C,0.0
18360,CO-ADD:0285982,9.52,O[C@H]1[C@@H](CC=NNC(C2=CC=NC=C2)=O)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1,0.0
18361,CO-ADD:0287436,9.52,n1(c2c(nn1)cccc2)C3(CCCCC3)N4CCC(CC4)C(N)=O,0.0
18362,CO-ADD:0287753,9.52,c1(O2)c(cc(\C=N\N([H])C(=O)c(cccn3)c3)cc1OC)SC2=O,0.0
18363,CO-ADD:0286246,9.51,c(C#N)(c(SCC#C)nc(c1C#N)N)c1c2cccc(Cl)c2,0.0
18364,CO-ADD:0290994,9.51,c1(SCCOc2ccccc2C)nc(c3n1CCC(O)=O)cccc3,0.0
18365,CO-ADD:0285710,9.51,S(O)(=O)(=O)c1cccc(c1)n2cnnn2,0.0
18366,CO-ADD:0285414,9.51,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2Cc4ccccc4)=O,0.0
18367,CO-ADD:0291821,9.51,c(Nc(cccc1[N+](=O)[O-])c1)(c2c3cccc2)c4c(n3)cccc4,0.0
18368,CO-ADD:0299393,9.51,N1(c2cccc(C)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4[N+](=O)[O-],0.0
18369,CO-ADD:0287152,9.51,S(=O)(=O)(N(CC)CC)c1cc(ccc1N(CC2)CCN2CCO)[N+](=O)[O-],0.0
18370,CO-ADD:0291837,9.51,C(/c1c(N2CCCCC)cccc1)(\C2=O)=C(\SC(N3NC(c(cc4)ccn4)=O)=S)/C3=O,0.0
18371,CO-ADD:0292849,9.51,C(C(OCC)=O)(NC(CC)=O)(C(F)(F)F)Nc1sc2c(ccc(OCC)c2)n1,0.0
18372,CO-ADD:0296013,9.51,c12c(c(n[nH]1)c3ccccc3)C(N(c4ccccc4)C2=O)c(cc5)ccc5C(C)C,0.0
18373,CO-ADD:0293347,9.51,C1(C(=O)CSc2nc(CCCC3)c3c(c(cc4)ccc4[N+](=O)[O-])c2C#N)=Cc5c(OC1=O)cccc5,0.0
18374,CO-ADD:0293799,9.51,N(c1ccccc1[N+](=O)[O-])(C(=O)C(C23)C(c4ccccc4O)NC2(C)C(O)=O)C3=O,0.0
18375,CO-ADD:0296077,9.51,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(cc4)NC(C)=O)cc(c(C)c3)C,0.0
18376,CO-ADD:0296069,9.51,c1(c2c(oc1C)CCCC2)C(=O)Nc(cc3)ccc3OC,0.0
18377,CO-ADD:0299290,9.51,c1(OC(N)=C(C2c3ccc(c(OC)c3OC)OC)C#N)c2c(n[nH]1)CCC,0.0
18378,CO-ADD:0299484,9.51,N1(c2ccc(cc2)Cl)C(c3ccc(cc3)Br)CC(c4ccc(cc4)Br)=N1,0.0
18379,CO-ADD:0291289,9.51,C12(C(OC)=O)C(C(C(=O)N1c3ccc(cc3)C)=O)=C(c4ccccc4)Nc5c(cccc5)N2,0.0
18380,CO-ADD:0292802,9.51,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc3ccccc3C(OC)=O,0.0
18381,CO-ADD:0292785,9.51,c1(nonc1N)\C(\N)=N/OC(=O)c2ccccc2[N+](=O)[O-],0.0
18382,CO-ADD:0292642,9.51,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc(ccc(c23)NC(C=C2C)(C)C)c3,0.0
18383,CO-ADD:0292608,9.51,c1(NC(=O)c2ccco2)sc(c3c1C#N)CCCC3,0.0
18384,CO-ADD:0292589,9.51,N1(C(c2ccccc2)CC(=N1)C3=C(c4ccccc4)c5c(ccc(Br)c5)NC3=O)C(=O)c(cc6)ccc6NS(=O)(=O)c7ccc(cc7)C,0.0
18385,CO-ADD:0293371,9.51,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5cccc(Cl)c5)cccc4,0.0
18386,CO-ADD:0286458,9.51,C(C#N)(C(c1ccccc1Cl)C(C#N)C(N2)=O)=C2SCC(=O)Nc(cc3)ccc3Br,0.0
18387,CO-ADD:0291687,9.51,c1(NC(c2ccccc2)=O)sc(c3c1C(NCCCC)=O)CCCC3,0.0
18388,CO-ADD:0285330,9.51,S1(=O)(=O)c(cccc2)c2C(N(N)CC(C)O)=N1,0.0
18389,CO-ADD:0285354,9.51,c1(N2CCC(CC2)C)nc(N\N=C\c(cc3)ccc3O)nc(Nc4cccc(C)c4C)n1.Cl,0.0
18390,CO-ADD:0286139,9.51,n1(c2ccccc2)nnnc1SCc3c(C)cc(c(C(C)=O)c3C)C,0.0
18391,CO-ADD:0291631,9.51,C1(=C(C)NC(NC1c2cccs2)=S)C(=O)Nc3ccccc3,0.0
18392,CO-ADD:0291679,9.51,c1(NC(c2ccccc2)=O)sc(c3c1SC#N)CCCC3,0.0
18393,CO-ADD:0291335,9.51,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)NCc(cco4)c4)c1C)cc(OC)cc3,0.0
18394,CO-ADD:0288046,9.51,c1(sc(cc1C(OCC)=O)CC)NC(=O)c2cccc(Br)c2,0.0
18395,CO-ADD:0286220,9.51,c1(s2)c(CC(C)(C)CC1=O)nc2NC(=O)\C=C\c3ccco3,0.0
18396,CO-ADD:0288577,9.51,C(CC(CCC1)N1C(OC(C)(C)C)=O)c(n(c(c2)C)C)n2,0.0
18397,CO-ADD:0285799,9.51,n1(C2CCCCC2)c(S)nnc1c3ccc(cc3)OC,0.0
18398,CO-ADD:0285128,9.51,c(Nc1cccc(C)c1)(nc(Cl)nc2NC(C)C)n2,0.0
18399,CO-ADD:0290974,9.51,S1(=O)(=O)c(cccc2)c2C(N(C)c3ccc(cc3)OC(CC)=O)=N1,0.0
18400,CO-ADD:0290982,9.51,S1(=O)(=O)c(cccc2)c2C(N(CCCOC(=O)c3ccc(cc3)OC)c4ccccc4)=N1,0.0
18401,CO-ADD:0290894,9.51,N1(CCSC1C(N)=O)c2ccc(cc2)C,0.0
18402,CO-ADD:0292000,9.5,c1(C(F)(F)F)nc(sc1c2ccc(cc2)F)Nc(cc3)ccc3OCC,0.0
18403,CO-ADD:0291575,9.5,n1c(c2ccc(cc2)OC)csc1\C(\C#N)=C/c(c3c([nH]4)cccc3)c4,0.0
18404,CO-ADD:0291433,9.5,c1(c(nc(N)c(C#N)c1c2ccc(c(OC)c2)OC)sc3C(OC)=O)c3N,0.0
18405,CO-ADD:0292113,9.5,C(=C\c(ccc1c2cc(Cl)c(cc2[N+](=O)[O-])C)o1)(/C3=O)\Sc(c34)cccc4,0.0
18406,CO-ADD:0291850,9.5,c1(n(C)ncc1[N+](=O)[O-])C(=O)n2cccn2,0.0
18407,CO-ADD:0291482,9.5,n12c(nc(cc1C(F)(F)F)c(ccc(c3Cl)Cl)c3)cc(C(=O)Nc4ccc(cc4Cl)Cl)n2,0.0
18408,CO-ADD:0285306,9.5,c(C(OCC)=O)(c1c(n2Cc3ccccc3)cc(Br)c(O)c1CN4CCCCC4)c2C,0.0
18409,CO-ADD:0294624,9.5,n12c(S\C(=C\c3cc(OCO4)c4cc3[N+](=O)[O-])\C1=O)nc(cc(Br)cn5)c25,0.0
18410,CO-ADD:0293571,9.5,c1(C#N)c(Cl)nc(c(Cl)c1N(Cc2ccccc2)Cc3ccccc3Cl)Cl,0.0
18411,CO-ADD:0294130,9.5,C(/C#N)(\C(OCCCl)=O)=C/c(ccc1c2ccccc2Cl)o1,0.0
18412,CO-ADD:0294114,9.5,o1c(S)nnc1c2ccc(c(OC)c2)OC,0.0
18413,CO-ADD:0295767,9.5,n1(C)cnnc1SCC(=O)Nc2ccc(cc2F)F,0.0
18414,CO-ADD:0295664,9.5,C(C(=O)c1ccc(cc1)C)(C2c3cccc(F)c3)=C(O)C(N2Cc(cccn4)c4)=O,0.0
18415,CO-ADD:0299578,9.5,n1(c2ccccc2)nnnc1SCC(=O)Nc3cccc(O)c3,0.0
18416,CO-ADD:0286848,9.5,N1(\N=C(/C)\c2ccc(cc2)Cl)C(=O)CN(Cc3ccccc3)C1c(cccc4[N+](=O)[O-])c4,0.0
18417,CO-ADD:0287033,9.5,c1(N)c(c(cc2)ccc2[N+](=O)[O-])sc3c1c(COC)cc(n3)C,0.0
18418,CO-ADD:0299769,9.5,C(=O)(Nc1ccc(c(OC)c1)OC)c2ccccc2SCc(cc3)ccc3F,0.0
18419,CO-ADD:0285027,9.5,c1([nH]c(c(c2ccccc2)n1)c3ccc(cc3)F)c4c5c([nH]c4)cccc5,0.0
18420,CO-ADD:0292667,9.5,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)NC(C)CC)n2,0.0
18421,CO-ADD:0294120,9.5,c1(cc(F)c(cc1N(CC2)CCN2C(c3ccccc3)=O)N4CCCC4)[N+](=O)[O-],0.0
18422,CO-ADD:0292828,9.5,C(C(=O)c1c(C)cc(cc1C)C)(C2c(cccn3)c3)=C(O)C(N2c4ccccn4)=O,0.0
18423,CO-ADD:0293132,9.5,c12c(c3c(cccc3)o1)nc(c4ccccc4)nc2Nc(cc5)ccc5C,0.0
18424,CO-ADD:0295602,9.5,C(C(C)=O)(C1c2cccc(OC)c2)=C(O)C(N1Cc3ccco3)=O,0.0
18425,CO-ADD:0293243,9.5,c1(C2C(CC=C2)C(N3)C(CCC=C4)C4)c3c(O)cc(Cl)c1[N+](=O)[O-],0.0
18426,CO-ADD:0290600,9.49,c12c(nnc(SCC(=O)Nc3sc4c(ccc(OC)c4)n3)n1)c(c5n2C)cc(cc5)Br,0.0
18427,CO-ADD:0286148,9.49,n1(c2ccccc2)c(SCCS(c3ccccc3)(=O)=O)nnc1c4cccc(Br)c4,0.0
18428,CO-ADD:0286534,9.49,C1(O)(C(F)(F)F)NC(SCC(OC)=O)=C(C(c2ccccc2Cl)C1C(=O)c3cccs3)C#N,0.0
18429,CO-ADD:0299222,9.49,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCCCCCCNC(CC(N3c4ccc(cc4)OCCC)=O)C3=O,0.0
18430,CO-ADD:0290604,9.49,C(=N/Nc(nnc(c12)c3c(cccc3)[nH]1)n2)(/c4c(N5CC(OC)=O)cccc4)\C5=O,0.0
18431,CO-ADD:0289005,9.49,c(C(=O)N(CCCC1C(O)=O)C1)(nnc2C(=O)Nc(cc3)ccc3C)s2,0.0
18432,CO-ADD:0288647,9.49,C(OC(C)(C)C)(=O)N1CCC(CC1)Cn2c(C3OCCC3)ncc2C,0.0
18433,CO-ADD:0289294,9.49,C(N)(=O)C(CC1)(CCN1)CCC.Cl,0.0
18434,CO-ADD:0299618,9.49,c12c(c3c(cccc3)o1)nc(c4ccccc4)nc2N(CCO)CCO,0.0
18435,CO-ADD:0291136,9.49,C(C(=O)OCc(cc1)ccc1OC)(C2c(cc3)ccc3c4ccccc4)=C(C)NC(CC(C)(C)CC5=O)=C25,0.0
18436,CO-ADD:0291769,9.49,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc4c5c(OC)ccc(c5)[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
18437,CO-ADD:0292043,9.49,C(/C(C)=NN1c2ccc(cc2)C)(=C/c3cc(OC)c(cc3[N+](=O)[O-])OC)\C1=O,0.0
18438,CO-ADD:0291741,9.49,N1(C(OCC)=O)N=C(CC1(O)c2ccccc2)C,0.0
18439,CO-ADD:0291981,9.49,n1(c(cccc2C(F)(F)F)c2)nc(c3n1)ccc(NC(=O)c(ccc(c4Br)OCC)c4)c3,0.0
18440,CO-ADD:0290519,9.49,n1(c2ccccc2)c(SCc3c(C)cc(c(C(C)=O)c3C)C)nnc1c4ccco4,0.0
18441,CO-ADD:0285658,9.49,S(CCCCCCCCCCCC)(=O)(=O)CCCl,0.0
18442,CO-ADD:0285882,9.49,N1(CN2CCC(CC2)Cc3ccccc3)c(cccc4)c4\C(=N\c(ccc(c5C(F)(F)F)F)c5)\C1=O,0.0
18443,CO-ADD:0285646,9.49,n12c(ccc(cccc3)c13)nnc2c(ccc(c4[N+](=O)[O-])OC)c4,0.0
18444,CO-ADD:0285670,9.49,C1(O)(CCN(CC1C)C)C#N,0.0
18445,CO-ADD:0285878,9.49,N1(c2cccc(Cl)c2)C(=O)CC(N(Cc(ccc(c34)OCO3)c4)C(C)=O)C1=O,0.0
18446,CO-ADD:0285687,9.49,c1(cc(F)c(cc1[N+](=O)[O-])F)C(=O)N(CC2)CCN2c(cc3)c(F)cc3[N+](=O)[O-],0.0
18447,CO-ADD:0294597,9.49,c1(nnc(C)s1)NC(=O)c2ccco2,0.0
18448,CO-ADD:0293104,9.49,C1(C#N)(\C(\CC2C)=N\N(C)C)C2(C#N)C(=NC1(OC)OC)N,0.0
18449,CO-ADD:0292683,9.49,c1(c2ccccc2F)nnc(NC(=O)c(cc3)ccc3C(C)(C)C)s1,0.0
18450,CO-ADD:0295697,9.49,c(NC(=O)C(C)Oc1c(F)c(F)cc(F)c1F)(s2)c(C(OCC)=O)c(c2C(=O)N(CC)CC)C,0.0
18451,CO-ADD:0292420,9.49,c1(C(=O)Nc(cc2)ccc2Cl)c3c(sc1NC(=O)c4ccc(cc4)C)CC(C)CC3,0.0
18452,CO-ADD:0295476,9.49,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc(OCC)c(c5[N+](=O)[O-])O)c5)cccc4,0.0
18453,CO-ADD:0286131,9.49,N1(CCc(cccc2)c12)C(=O)CSc3sc4c(ccc(c4)NC(=O)c5ccccc5Cl)n3,0.0
18454,CO-ADD:0286163,9.49,N(c1ccc(c(Cl)c1)Cl)(C(c2ccccc2)=NN3c4ccccc4)C3c5ccccc5OCc(cc6)ccc6Cl,0.0
18455,CO-ADD:0286433,9.49,n1(c2ccccc2)nnnc1SCC(=O)N\N=C\c(ccc3c(ccc(c4[N+](=O)[O-])Cl)c4)o3,0.0
18456,CO-ADD:0286337,9.49,P(c1ccccc1)(c2ccccc2)(=O)Cc3ccccc3OCP(c4ccccc4)(c5ccccc5)=O,0.0
18457,CO-ADD:0286299,9.49,C1(SC\C(\CS2)=N/NC(=S)Nc3ccccc3)=C2SC(=S)S1,0.0
18458,CO-ADD:0295760,9.49,c1(NC(Cc(ccc(c2OC)OC)c2)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
18459,CO-ADD:0295754,9.49,S(=O)(=O)(N(CC1)CCO1)c2cc(ccc2N3CCC(CC3)Cc4ccccc4)[N+](=O)[O-],0.0
18460,CO-ADD:0294868,9.49,C(=C\c(cccc1Oc2ccccc2)c1)(/C(=O)NC(N3C)=O)\C3=O,0.0
18461,CO-ADD:0293954,9.49,c12c(c3c(CCCC3)s1)C(NC(SCC=C)=N2)=O,0.0
18462,CO-ADD:0292881,9.49,c(c1c(cc(OC)c(OC)c1)c(n2)c3ccc(cc3)Br)(c(c4ccccc4)nn5c6ccccc6)c25,0.0
18463,CO-ADD:0293516,9.49,c1(OC(N)=C(C2c3cccc(Cl)c3Cl)C#N)c2c(n[nH]1)CCC,0.0
18464,CO-ADD:0286538,9.49,C1=C(NCC(OC)OC)C2(OC1=O)CCCCC2,0.0
18465,CO-ADD:0290683,9.49,c1(cc(cc(SCCSc(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2C(N)=O)c1C(N)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
18466,CO-ADD:0290747,9.49,c1(sc(c(ccc2S(C)(=O)=O)n1)c2)NC(=O)C(c3ccccc3)c4ccccc4,0.0
18467,CO-ADD:0294398,9.49,c1(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3nc(C(=O)OC(C)C)c1Cl,0.0
18468,CO-ADD:0294283,9.49,n(CC(N)=O)(c1c(n2)cccc1)c2CCC,0.0
18469,CO-ADD:0291712,9.49,c1(no[n+]([O-])c1c2nonc2N)c3nonc3N,0.0
18470,CO-ADD:0291626,9.48,c1(C(NN)=O)[nH]nc(c2ccc(cc2)OCCCCCCCC)c1,0.0
18471,CO-ADD:0299357,9.48,N1(Cc2ccc(cc2Cl)F)c3c(c4C1=O)c(ccc3)ccc4,0.0
18472,CO-ADD:0289144,9.48,N1(CCCC1(C)C(O)=O)C(=O)OC(C)(C)C,0.0
18473,CO-ADD:0291935,9.48,C1(=NC(=O)NC2=O)C2=Cc(cc3[N+](=O)[O-])c(cc3)N1c4ccc(cc4)Cl,0.0
18474,CO-ADD:0285199,9.48,c1(NC(=O)c2cccc(C)c2)n(c3ccccc3)ncc1C(=O)NCc4ccco4,0.0
18475,CO-ADD:0290526,9.48,c1(scc(c2ccc(cc2)Cl)n1)N(CC3C)CC(O3)C,0.0
18476,CO-ADD:0290550,9.48,N1(c2ccc(cc2Br)Br)C(=O)C(CC1=O)Sc3nc(c4ccccc4)cc(C(F)(F)F)c3C#N,0.0
18477,CO-ADD:0285170,9.48,C12(c3c(cccc3)C(=NN1c4ccccc4)c(cc5)ccc5C(C)(C)C)SC(=NN2c6ccc(cc6)Cl)C(OCC)=O,0.0
18478,CO-ADD:0290454,9.48,c1(CC(O)=O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
18479,CO-ADD:0285304,9.48,c1(c2cccc(c2)NCc(cc3)ccc3OCC(=O)N(CC4)CCO4)oc(c5n1)cccc5,0.0
18480,CO-ADD:0285257,9.48,[N+](=O)([O-])c(ccc(c1Oc(cc2)ccc2c3ccc(cc3)Oc(c(ccc4[N+](=O)[O-])C#N)c4)C#N)c1,0.0
18481,CO-ADD:0288015,9.48,N(CC(N1OCc2ccccc2)=O)(C(c3ccccc3)=O)C1c4cccs4,0.0
18482,CO-ADD:0287728,9.48,C(Cc(cc1)ccc1Br)(Cc(cc2)ccc2Br)([N+]([O-])=NOC)[N+]([O-])=NOC,0.0
18483,CO-ADD:0286233,9.48,c12c(nnc(SCC(=O)Nc3ccc(cn3)Cl)n1)c(c4n2C(C)C)cccc4,0.0
18484,CO-ADD:0295755,9.48,c(C(=O)N(CC)CC)(s1)c(C)c(c1NC(COc2c(F)c(F)cc(F)c2F)=O)C(OCC)=O,0.0
18485,CO-ADD:0293861,9.48,c(c(C)c(s1)C)(C2=O)c1N=C(SCC(=O)NC(C)(C)C)N2c3ccccc3,0.0
18486,CO-ADD:0294095,9.48,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(c4c3)OCO4)=C(O)C(N2CCCC)=O,0.0
18487,CO-ADD:0294882,9.48,C1(C2)(CC(CN2CC(O)=O)(CC(C(=O)N(CC3)CCO3)=C1)[N+](=O)[O-])[N+](=O)[O-],0.0
18488,CO-ADD:0292810,9.48,C1(C(OC(O2)(C)C)C2OC3C(=O)NC(CCC(OCc4ccccc4)=O)C(=O)OCc5ccccc5)C3OC(C)(C)O1,0.0
18489,CO-ADD:0293153,9.48,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C\c(c(cccc4)c4n5Cc6ccccc6Cl)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
18490,CO-ADD:0286678,9.48,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCCC2)C(=O)N(CC4)CCN4Cc5ccccc5,0.0
18491,CO-ADD:0286286,9.48,C12(CCSc(ccc(cccc3)c34)c14)SC(=NN2C(C)=O)NC(C)=O,0.0
18492,CO-ADD:0286438,9.48,c1(nc(c2n1CC(=O)N\N=C(\c3c(N4)cccc3)/C4=O)cccc2)c5nonc5N,0.0
18493,CO-ADD:0291811,9.48,N1(NC(=O)c2ccccc2[N+](=O)[O-])C(=S)S\C(\C1=O)=C(\c3c(N4)ccc(Br)c3)/C4=O,0.0
18494,CO-ADD:0286657,9.48,N1(c2ccccc2C#N)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
18495,CO-ADD:0286673,9.48,c1(C(=O)N(C)C)c2c(sc1NC(=O)c3cccc(C)c3)CCCCC2,0.0
18496,CO-ADD:0296015,9.48,c12c(c(n[nH]1)c3ccccc3)C(N(c4ccccc4)C2=O)c5ccc(c6c5)OCO6,0.0
18497,CO-ADD:0295877,9.48,c1(OC(N)=C(C2c(cc3)cc(c3OC(=O)N(CC4)CCO4)OC)C#N)c2c(n[nH]1)CCC,0.0
18498,CO-ADD:0292673,9.48,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(NCCCN(CC4)CCO4)=O)n2,0.0
18499,CO-ADD:0293032,9.47,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccc(Cl)c1)Nc2sc(c3c2C#N)CCCC3,0.0
18500,CO-ADD:0295382,9.47,c1(\C(\C)=N\O)nonc1\C(\C)=N\O,0.0
18501,CO-ADD:0294140,9.47,C1(=O)c(c(C)cc(n2)C(C)(C)C)c2NN1c3ccccc3,0.0
18502,CO-ADD:0294740,9.47,C1(c2cccs2)=CC(c3c(cc(C)cc3)O1)=O,0.0
18503,CO-ADD:0294260,9.47,C(/c1ccccc1OC)=C\C(=O)Nc(cc2)ccc2F,0.0
18504,CO-ADD:0293653,9.47,c1c(cccc1NN)Cl.Cl,0.0
18505,CO-ADD:0294323,9.47,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cccc(O)c5)cccc4,0.0
18506,CO-ADD:0294762,9.47,C1(=C(CC(c2ccco2)CC1=O)Nc(c3N4C(CC)=O)cccc3)C4c5ccc(c(OC)c5)OC,0.0
18507,CO-ADD:0294356,9.47,N1(C(=O)c(c2)c(c(c3)C1=O)c(cc2[N+](=O)[O-])cc3[N+](=O)[O-])c4c(C)nn(c(cc5)ccc5[N+](=O)[O-])c4C,0.0
18508,CO-ADD:0285992,9.47,O[C@@H]1[C@H](CCCCCCC(OC)=O)[C@@H](/C=N/NC(C2=CC=NC=C2)=O)[C@H](O)C1,0.0
18509,CO-ADD:0288455,9.47,n1(CC2CC2)c(C)cnc1CC(CCCN3)C3.Cl.Cl,0.0
18510,CO-ADD:0289318,9.47,N1(CCC(CC1)=O)c2ccccc2F,0.0
18511,CO-ADD:0289360,9.47,n(c1CCN)c(Cc(ccc2Cl)cc2)[nH]n1.Cl.Cl,0.0
18512,CO-ADD:0288830,9.47,c1(cocc1)C(NCC#C)=O,0.0
18513,CO-ADD:0288870,9.47,c(n1Cc2ccc(OC(F)(F)F)cc2)(ncc1C)Cc(cccc3)c3[N+](=O)[O-],0.0
18514,CO-ADD:0286196,9.47,C(C#N)(C(CC(N1)=O)c(cccc2[N+](=O)[O-])c2)=C1SCC=C,0.0
18515,CO-ADD:0288023,9.47,S(=O)(=O)(CC(OC)=O)c1cc(cc([N+](=O)[O-])c1C(N)=O)[N+](=O)[O-],0.0
18516,CO-ADD:0287744,9.47,c1(O)c(Cl)cc(c(cccn2)c12)CN3CCCC3,0.0
18517,CO-ADD:0286229,9.47,c12c(nnc(SCC(=O)NC(CC(C)C)C(OC)=O)n1)c3c(cccc3)n2CC=C,0.0
18518,CO-ADD:0287488,9.47,n12c(S\C(=C/c(cc3)ccc3Cl)\C1=O)nnc2c4ccccc4Cl,0.0
18519,CO-ADD:0287802,9.47,c12c(c(nn1c3ccc(cc3)C)C)C(C(C#N)=C(N)O2)c4ccccc4F,0.0
18520,CO-ADD:0286250,9.47,N1(c2c(OC)ccc(OC)c2)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(c(O)c4)OC,0.0
18521,CO-ADD:0285843,9.47,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)C=C)(C)C)=C1c4c3cc(C)c(C)c4,0.0
18522,CO-ADD:0292184,9.47,c1(c2ccc(c1)OC(=O)c3ccc(cc3)F)OC(C=C2C)=O,0.0
18523,CO-ADD:0284990,9.47,N1(\N=C(\C2)/CCCCC2)C(c3ccccc3)Nc(c4C1=O)cccc4,0.0
18524,CO-ADD:0291843,9.47,N(C(=O)NN=C1SCc(cc2)ccc2Cl)C1=O,0.0
18525,CO-ADD:0284960,9.47,C(SCC(O)=O)(C(F)(F)F)(C(F)(F)F)NC(c1ccccc1)=O,0.0
18526,CO-ADD:0293122,9.46,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5c(cccc5Cl)F)cccc4,0.0
18527,CO-ADD:0292725,9.46,C1(CBr)(C(C)(C)OC2=O)N2CCc(cc(OC)c(OC)c3)c13,0.0
18528,CO-ADD:0294354,9.46,C1(CCCCC1)(C(=O)OC(C2(C)C)c3ccccc3)C2=O,0.0
18529,CO-ADD:0294626,9.46,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)cc(c5Oc6c(F)c(F)c(c(F)c6F)F)OC,0.0
18530,CO-ADD:0292834,9.46,c1(OC(N)=C(C2c(cc3)cc(c3OC(=O)N(CC4)CCO4)OCC)C#N)c2c(n[nH]1)CCC,0.0
18531,CO-ADD:0295158,9.46,c1(Sc(cc2)c(N)cc2C(F)(F)F)sc(c3n1)cccc3,0.0
18532,CO-ADD:0299746,9.46,c1(ccccc1[N+](=O)[O-])C(=O)N(CC2)CCO2,0.0
18533,CO-ADD:0299740,9.46,[N+](=O)([O-])c1cccc(Cl)c1NCCCN(CC2)CCO2.Cl,0.0
18534,CO-ADD:0299756,9.46,S(=O)(=O)(c1ccc(cc1)NC(=O)c(cc2OC)cc(c2OC)OC)N3CCCCC3C,0.0
18535,CO-ADD:0299772,9.46,s1cccc1CNc(cc2)ccc2Cl,0.0
18536,CO-ADD:0299541,9.46,C(COC(=O)C(CCN1C(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])=N1)([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.0
18537,CO-ADD:0295337,9.46,c1(C(N)=O)cc(ccc1N(CC2)CCO2)[N+](=O)[O-],0.0
18538,CO-ADD:0294622,9.46,c(C(OC)=O)(c(C)nc1NC(=O)c2cc(Br)ccc2Cl)s1,0.0
18539,CO-ADD:0294872,9.46,N1(c2cccc(OC)c2)C(=O)\C(=C\C=C\c3ccco3)\C(NC1=O)=O,0.0
18540,CO-ADD:0295735,9.46,c(C(C)=O)(c(C)n(n1)c2cccc(c2)[N+](=O)[O-])n1,0.0
18541,CO-ADD:0294965,9.46,S(=O)(=O)(c1ccc2c(ccc(OC)c2)c1)Nc(cccn3)c3,0.0
18542,CO-ADD:0294985,9.46,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(C(C)=O)c2nc(C)cc(C)n2,0.0
18543,CO-ADD:0294364,9.46,n1(c2ccc(cc2)OCC)nc(c3n1)ccc(NC(=O)c4c(Cl)ccc(c4)[N+](=O)[O-])c3,0.0
18544,CO-ADD:0292314,9.46,c1(\C(\C#N)=C\c(c(cccc2)c2n3Cc(ccc(c4Cl)Cl)c4)c3)nc(c5n1Cc(cc6)ccc6Cl)cccc5,0.0
18545,CO-ADD:0292875,9.46,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc4cc(on4)C)n2,0.0
18546,CO-ADD:0292658,9.46,c1(c(N)ncnc1Nc(cc(C)cc2C)c2)[N+](=O)[O-],0.0
18547,CO-ADD:0296039,9.46,C(C(OCC)=O)(C(c1ccccc1F)N2)=C(C)N(C2=O)CCO,0.0
18548,CO-ADD:0293810,9.46,n1(nc(c2n1)cccc2)c3cc(C#N)c(cc3n4c5c(nn4)cccc5)C#N,0.0
18549,CO-ADD:0289370,9.46,n1(c2ccccc2)cnnc1CC(CCN3)CC3.Cl,0.0
18550,CO-ADD:0289211,9.46,c1(C(OCC)=O)c(C)c([nH]c1C)CNCc2cccc(OC)c2.Cl,0.0
18551,CO-ADD:0291794,9.46,N1(C2c3ccccc3)C(S\C(=C\c(ccc4c5ccc(cc5Cl)[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
18552,CO-ADD:0289379,9.46,n(c1CCN)c(COC)on1.Cl,0.0
18553,CO-ADD:0290914,9.46,c1(C(=O)C(C)(C)C)no[n+]([O-])c1C(=O)C(C)(C)C,0.0
18554,CO-ADD:0290861,9.46,c12c(ccc(Cl)c1C)C3C(C(C(O)=O)N2)CC=C3,0.0
18555,CO-ADD:0290973,9.46,S1(=O)(=O)c(cccc2)c2C(NCCNC(=O)c(cccc3[N+](=O)[O-])c3)=N1,0.0
18556,CO-ADD:0291208,9.46,n1(c2ccc(cc2)C)nc(c3n1)ccc(NC(Cc4ccccc4)=O)c3,0.0
18557,CO-ADD:0290977,9.46,S1(=O)(=O)c(cccc2)c2C(NCCCOC(=O)c(cc3OC)cc(c3OC)OC)=N1,0.0
18558,CO-ADD:0291025,9.46,S(=O)(=O)(N(CC1)CCN1Cc2ccccc2)c3ccc(c(C)c3Cl)Cl,0.0
18559,CO-ADD:0285296,9.46,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)OC)C3c5cc6c(cc5Cl)OCO6,0.0
18560,CO-ADD:0285251,9.46,c1(cc(Cl)ccc1[N+](=O)[O-])C(=O)N(CC2)CCN2c3ccc(cc3)F,0.0
18561,CO-ADD:0284966,9.46,C1(C2c(cc3)ccc3N(C)C)=C(CC(c4ccc(cc4)Cl)CC1=O)NC(C)=C2C#N,0.0
18562,CO-ADD:0291699,9.46,n1c2c(oc1c(ccc(c3NC(=O)c4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C)c3)cccn2,0.0
18563,CO-ADD:0284963,9.46,C(C(=O)OC1CCCC1)(C2c(cc3)ccc3[N+](=O)[O-])=C(C)NC(CC(c4ccc(cc4)OC)CC5=O)=C25,0.0
18564,CO-ADD:0292574,9.46,C1(c2ccc(cc2)Cl)(CC(=O)Nc(ccc(c3C)C)c3)C(=O)c(c4C1=O)cccc4,0.0
18565,CO-ADD:0292681,9.46,c12c(n(c(SCC(OC)=O)n1)CC)C(N(C)C(=O)N2C)=O,0.0
18566,CO-ADD:0293698,9.46,C(=N/NC(C)=O)(/c1c(N2CC(O)=O)cccc1)\C2=O,0.0
18567,CO-ADD:0295403,9.46,c1(C2c3cccc(Cl)c3Cl)c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
18568,CO-ADD:0296108,9.46,c1(c(NCCOc2c(C)non2)ccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
18569,CO-ADD:0293720,9.46,c12c(ccc(Cc(ccc(c34)N=C(OC3=O)C)c4)c1)N=C(OC2=O)\C=C\c(cc5)ccc5[N+](=O)[O-],0.0
18570,CO-ADD:0285580,9.46,C1(C(=O)Nc2ccccc2C)C3C1C4CC3CC4,0.0
18571,CO-ADD:0285519,9.46,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4\C(=N\c(ccc(c5C)C)c5)\C1=O,0.0
18572,CO-ADD:0287413,9.46,c(cnn1CC(=O)Nc(cc2C)c3c(n2)cccc3)(c1)[N+](=O)[O-],0.0
18573,CO-ADD:0295284,9.46,C(=C\c(ccc(c12)OCO1)c2)/C(=O)c3ccc(cc3)CCCCC,0.0
18574,CO-ADD:0294997,9.46,c1(c(Br)cc(c(cccn2)c12)Br)OC(=O)N(CC3)CCO3,0.0
18575,CO-ADD:0295014,9.46,[n+]1([O-])onc(C)c1COc2ccc(cc2OCC)\C=C(/C#N)\C(N)=O,0.0
18576,CO-ADD:0295414,9.46,c1(C2c3ccc(cc3)OC(c4ccccc4)=O)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
18577,CO-ADD:0293702,9.46,N1(C(CC=N1)c2ccccc2)C(=O)C34CC(CC(C5)C3)CC5C4,0.0
18578,CO-ADD:0296017,9.46,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)OC)=C(O)C(N2CCC(O)=O)=O,0.0
18579,CO-ADD:0293686,9.46,C(C(OC)=O)(=C1C)\C(=C\c(cc2)ccc2[N+](=O)[O-])\C(N1C(C)C)=O,0.0
18580,CO-ADD:0295066,9.46,N1C(c2cccc(O)c2)SCC1C(O)=O,0.0
18581,CO-ADD:0296076,9.45,C1(=COc(c2C1=O)ccc(C)c2)C3Nc4c(NC(CC(C)(C)CC5=O)=C35)cc(C)c(C)c4,0.0
18582,CO-ADD:0294536,9.45,c1(c(ccc2C(C)=O)OCCO1)c2,0.0
18583,CO-ADD:0295358,9.45,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccccc3)C2c(ccc4[N+](=O)[O-])s4,0.0
18584,CO-ADD:0295884,9.45,c1(N(CC2)CCO2)nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1,0.0
18585,CO-ADD:0288496,9.45,n1(Cc2ccccc2)c(C)cnc1CC(CCN3)C3.Cl.Cl,0.0
18586,CO-ADD:0288897,9.45,c1(nc([N+](=O)[O-])c(n1CC2CCN(C(=O)C(F)(F)F)CC2)C)C,0.0
18587,CO-ADD:0289372,9.45,n1c(c2ccc(cc2)OC(CN3)C3)onc1c4ccccc4,0.0
18588,CO-ADD:0289229,9.45,n1c(CCOCC2CC2)noc1C(C3)CN3.Cl,0.0
18589,CO-ADD:0289342,9.45,c1(C2CCCN2)[nH]c(nn1)CC.Cl.Cl,0.0
18590,CO-ADD:0288486,9.45,n1(c(C)cnc1C(CC2)CCN2)c3ccc(c(OC)c3)OC.Cl.Cl,0.0
18591,CO-ADD:0290786,9.45,C(C(OCC)=O)(NC(COc1ccccc1)=O)(C(F)(F)F)Nc2sc(c3c2C#N)CCCC3,0.0
18592,CO-ADD:0290908,9.45,c1(scc(c(cc2)ccc2[N+](=O)[O-])n1)N3CCc(c4C3)cccc4,0.0
18593,CO-ADD:0290489,9.45,c1(S(CCC)(=O)=O)c(C(N)=O)n2c(cccc2)c1S(CCC)(=O)=O,0.0
18594,CO-ADD:0290715,9.45,c1(c(Cl)cc(c(cccn2)c12)Cl)OC(=O)c3cccs3,0.0
18595,CO-ADD:0290716,9.45,C1(C(NCCc2ccccc2)=O)=Cc(cccc3CC=C)c3OC1=O,0.0
18596,CO-ADD:0290518,9.45,N1(CN(CC2)CCC23OCCO3)N=C(N(C)C1=S)COc(ccc(c4C)C)c4,0.0
18597,CO-ADD:0285828,9.45,S(=O)(=O)(N(C)C)c1cc(ccc1N(CC2)CCC2C(N)=O)[N+](=O)[O-],0.0
18598,CO-ADD:0286722,9.45,n1(c(cc2)ccc2C(O)=O)nnnc1SCC(=O)N(CC3)CCO3,0.0
18599,CO-ADD:0286867,9.45,S(=O)(=O)(N1CCCC1)c2cc(ccc2N(CCCC3C(=O)N(CC)CC)C3)[N+](=O)[O-],0.0
18600,CO-ADD:0291140,9.45,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)cc(c5OC(C)C(O)=O)OC,0.0
18601,CO-ADD:0291237,9.45,N1(c2ccc(cc2)C)C(=O)\C(=C/Nc3c(O)ccc(Cl)c3)\C(NC1=O)=O,0.0
18602,CO-ADD:0292199,9.45,C(/SC(N1c2ccccc2)=S)(\C1=O)=C(/S\C(\C3=O)=C(/Sc(c45)ccc(OC)c4)\N5C)\N3CC=C,0.0
18603,CO-ADD:0294628,9.45,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c(cc4Cl)c(OC)cc4[N+](=O)[O-])o3,0.0
18604,CO-ADD:0293289,9.45,C12=C(CCCC1=O)c3c(ccc4c3cccn4)NC2c5ccc(c(O)c5)O,0.0
18605,CO-ADD:0292253,9.45,N1(CCOc2ccccc2Cl)C(=O)CSC1c3ccc(c(OC)c3)OC,0.0
18606,CO-ADD:0295779,9.45,c1(NC(COc2ccccc2Br)=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
18607,CO-ADD:0295772,9.45,c1(C(=O)OC(C)C)c(C)c(sc1NC(=O)c2cccc(OC)c2)C(=O)N(CC)CC,0.0
18608,CO-ADD:0286588,9.45,S(=O)(=O)(c1ccc(cc1)F)N2CCC(CC2)C(=O)N\N=C(\c3c(N4)cccc3)/C4=O,0.0
18609,CO-ADD:0286751,9.44,C1(=Cc2c(OC1=O)cccc2)C(=O)NC(=S)NNC(COc(cc3)ccc3C)=O,0.0
18610,CO-ADD:0286954,9.44,C1(SC\C(\CS2)=N/NC(=O)c3ccccc3O)=C2SC(=O)S1,0.0
18611,CO-ADD:0291950,9.44,C1(C(C)=O)=C(Nc(cc2)ccc2Br)CC(C)(O)C(C(C)=O)C1c3ccc(cc3)C,0.0
18612,CO-ADD:0294486,9.44,N(c1ccc(cc1)C)(C(c2ccc(cc2)OC)C=C3Nc(cc4)ccc4C)C3=O,0.0
18613,CO-ADD:0293818,9.44,C(=O)(c1ccccc1C(=O)NCc(cccn2)c2)c3[nH]ccn3,0.0
18614,CO-ADD:0296066,9.44,C(C(c1ccccc1)=O)(C2c3ccc(cc3Cl)Cl)=C(O)C(N2CCCOC)=O,0.0
18615,CO-ADD:0292597,9.44,c1(c2c(sc1NC(CC)=O)CCCC2)C(=O)Nc3cccc(cccc4)c34,0.0
18616,CO-ADD:0293055,9.44,C(S(C)(=O)=O)(C1c2ccccc2F)=C(O)C(N1CCCC(O)=O)=O,0.0
18617,CO-ADD:0292982,9.44,C12=C(CC(C)(C)CC1=O)Nc(ccc(cccc3)c34)c4C2c(ccc(c5[N+](=O)[O-])C)c5,0.0
18618,CO-ADD:0295696,9.44,c1(NC(COc2ccccc2C)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
18619,CO-ADD:0293124,9.44,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5cc(Br)ccc5OC)cccc4,0.0
18620,CO-ADD:0295063,9.44,S(c1ccccc1)(=O)(=O)NC(c2ccc(cc2)I)C(Cl)(Cl)Cl,0.0
18621,CO-ADD:0295488,9.44,N(C(C)CCCC)CC1CCCCC1.Cl,0.0
18622,CO-ADD:0295679,9.44,c1(NC(CSc2c(cc(c3n2)CCCCC3)C#N)=O)nnc(CC)s1,0.0
18623,CO-ADD:0295624,9.44,N1(c2ccc(cc2)F)C(=O)C(CC1=O)NCc(cc3)ccc3C(O)=O,0.0
18624,CO-ADD:0289332,9.44,n1c(CCNC)noc1COc(cc2)ccc2OC.Cl,0.0
18625,CO-ADD:0289237,9.44,C(C(C#N)(C)CC1)CN1.Cl,0.0
18626,CO-ADD:0289253,9.44,c(C1)(c(CCN1)[nH]n2)c2c3ccc(cc3)C,0.0
18627,CO-ADD:0285981,9.44,O[C@H]1[C@@H](CC=NNC(C2=CC=NC=C2)=O)[C@H](CO)[C@@H](O)C1,0.0
18628,CO-ADD:0287487,9.44,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)Nc(ccc(c3s4)nc4SCc(cc5)ccc5Br)c3)n1c6ccccc6,0.0
18629,CO-ADD:0287882,9.44,n1c(c2)c(sc1S)ccc2C(F)(F)F,0.0
18630,CO-ADD:0287418,9.44,C(C#N)(C1c2ccc(cc2)SC)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
18631,CO-ADD:0290395,9.44,c1(cc(Br)ccc1NC(CSCc2ccc(cc2Cl)Cl)=O)C(O)=O,0.0
18632,CO-ADD:0287196,9.44,C(c1c2cccc1)(=CC3=O)c(c(N3C)ccc4Nc(cc5)ccc5C=O)c4C2=O,0.0
18633,CO-ADD:0286907,9.44,c12c(nnc(SCC(=O)Nc3nnc(SCC)s3)n1)c(c4n2C)cc(cc4)Br,0.0
18634,CO-ADD:0287979,9.44,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccccn5)cccc4,0.0
18635,CO-ADD:0293328,9.44,n1(C(C)C)c2c(c(cccc3)c13)cccc2,0.0
18636,CO-ADD:0294000,9.44,c1(cc(ccc1N(CC2)CCN2C)[N+](=O)[O-])C(F)(F)F,0.0
18637,CO-ADD:0294496,9.44,c12c(c(n[nH]1)c3ccc(cc3)C)C(N(c4ccc(cc4)F)C2=O)c5ccc(cc5)C,0.0
18638,CO-ADD:0294449,9.44,C(C(OCCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4ccc(c(Cl)c4)Cl,0.0
18639,CO-ADD:0294538,9.44,c(cc(C(O)=O)cc1[N+](=O)[O-])([N+](=O)[O-])c1N(CC2)CCO2,0.0
18640,CO-ADD:0293859,9.44,S(=O)(=O)(c1ccc(c2c1)cccc2)Nc(ccc(c3O4)OC45CCCCC5)c3,0.0
18641,CO-ADD:0290663,9.43,C1(N2CCC(CC2)C(N)=O)=CC(OC13CCCCC3)=O,0.0
18642,CO-ADD:0288053,9.43,c12c(ccc3c1OC(=O)C=C3C)O\C(=C/c(cc4)ccc4N(C)C)\C2=O,0.0
18643,CO-ADD:0286555,9.43,c1(scc(c2ccc(c(OC)c2)OC)c1C(OCC)=O)NC(=S)Nc3ccccc3,0.0
18644,CO-ADD:0289183,9.43,N(CC1Oc(cccc2C(O)=O)c2)(C1)C(=O)OC(C)(C)C,0.0
18645,CO-ADD:0291988,9.43,c1(scc(CC(OCC)=O)n1)NC(=O)c2ccco2,0.0
18646,CO-ADD:0286819,9.43,C(=O)(N(CC1)CCN1c2ccc(cc2)F)C(O)(c3ccccc3)c4ccccc4,0.0
18647,CO-ADD:0295875,9.43,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccc(cc3)OC(=O)N(CC4)CCO4,0.0
18648,CO-ADD:0295902,9.43,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccc(cc3)SC,0.0
18649,CO-ADD:0293892,9.43,N1(c2ccc(cc2)OCC)CC(CC1=O)C(=O)NC(CC3(C)C)CC(N3)(C)C,0.0
18650,CO-ADD:0294541,9.43,c1(nc(c2ccccc2)c(n3)c4ccccc4)n3cc(c5ccccc5)n1,0.0
18651,CO-ADD:0292807,9.43,C1(OC(O2)(C)C)C2OC(C(OC(C)(C)O3)C13)COC(c4ccccc4)=O,0.0
18652,CO-ADD:0295029,9.43,C1(C2c3ccc(cc3)OC)=C(CC(C)(C)CC1=O)Nc(c4N2C(=O)CSc5sc(c6n5)cccc6)cccc4,0.0
18653,CO-ADD:0292236,9.43,c1(SCC(=O)Nc(cc2)ccc2F)sc3c(ccc(c3)NC(CSc4nccn4C)=O)n1,0.0
18654,CO-ADD:0293471,9.43,c1(NC(=O)c2ccco2)n(c3ccccc3)ncc1C(=O)Nc4ccccc4Br,0.0
18655,CO-ADD:0293737,9.43,C(C(OC)=O)(=C1\C=C\c2ccccc2OC)\C(=C/c3ccccc3OC)\C(N1CCc4ccccc4)=O,0.0
18656,CO-ADD:0293730,9.43,N1(C(OC)=O)CC1c2ccccc2,0.0
18657,CO-ADD:0294328,9.43,C1(C(OCCc2ccccc2)=O)=C(C)Nc(c(ccc3C(F)(F)F)S1)c3,0.0
18658,CO-ADD:0288902,9.43,c(n1CC2CN(C(C(F)(F)F)=O)CCC2)(C(C3)CC3)nc([N+](=O)[O-])c1C,0.0
18659,CO-ADD:0289391,9.43,c1(C(=O)N(CCCC2C(=O)Nc3ccccc3)C2)nn(c(CCN4)c1C4)C.Cl,0.0
18660,CO-ADD:0289305,9.43,c1(C(OCC)=O)c(C)c(c(C)[nH]1)CNCCc(ccc(c2OC)OC)c2,0.0
18661,CO-ADD:0290651,9.43,c1(nonc1N)\C(=N\OC(NC)=O)\Nc2ccccc2C,0.0
18662,CO-ADD:0299712,9.43,C(C(=O)c1ccc(cc1)C)(C2c3ccc(c(OC)c3)OC)=C(O)C(N2CCCCCC(O)=O)=O,0.0
18663,CO-ADD:0286659,9.43,N1(c2ccccc2OC)C(=O)C(C3C1=O)C(c4ccccc4)(C(C35c6ccccc6)=O)C(=C5c7ccc(cc7)C)c8ccc(cc8)C,0.0
18664,CO-ADD:0286219,9.43,c12c(nnc(SCC(=O)Nc3cc(on3)C)n1)c4c(cccc4)n2CC,0.0
18665,CO-ADD:0291383,9.43,n1(N)c(SCC(=O)Nc(cc2)ccc2Br)nnc1c3ccccc3,0.0
18666,CO-ADD:0288054,9.43,C(/NC(=O)c1cccs1)(=C\c2cccs2)\C(=O)N3CCCC3,0.0
18667,CO-ADD:0288024,9.42,C(/S\C(\N1C2CCCCC2)=C(/C(C)=NN3c(cc4)ccc4S(O)(=O)=O)\C3=O)(\C1=O)=C(/Sc(c56)cccc5)\N6C,0.0
18668,CO-ADD:0287839,9.42,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(c(OC)c4)OCc5ccccc5,0.0
18669,CO-ADD:0290846,9.42,N(=C1SCC(=O)Nc2cc(on2)C)C(=O)C(C(=O)N1)Cc3ccccc3,0.0
18670,CO-ADD:0287331,9.42,C(C(C)=O)(C1c2ccc(cc2)OC)=C(O)C(N1c3ccc(cc3)O)=O,0.0
18671,CO-ADD:0287371,9.42,C(Cc(cc1)ccc1C(C)C)(CCc(cc2)ccn2)(C(=O)NC(N3)=O)C3=O,0.0
18672,CO-ADD:0285419,9.42,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(=O)N3CCc(c4C3)cccc4,0.0
18673,CO-ADD:0291047,9.42,S(=O)(=O)(c1ccc(cc1C)Cl)Oc2cccc(cccn3)c23,0.0
18674,CO-ADD:0299699,9.42,C12(c3c(NC1=O)ccc(Cl)c3)C(C#N)=C(N)Oc([nH]nc4C(C)(C)C)c24,0.0
18675,CO-ADD:0299220,9.42,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCN3c4ccccc4)C1=O,0.0
18676,CO-ADD:0293762,9.42,C(=O)(Oc1ccc(cc1Cl)OC(=O)c2ccccc2Cl)c3ccccc3Cl,0.0
18677,CO-ADD:0293595,9.42,C(NC(CC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C(OC)=O)CCCC2,0.0
18678,CO-ADD:0293329,9.42,[N+](=O)([O-])c1ccc(cc1Oc(cc2)c(Cl)cc2C(F)(F)F)O,0.0
18679,CO-ADD:0295185,9.42,c12c(c3c(cccc3)n1CC(O)=O)nn(c4c(cccc4)n5)c5n2,0.0
18680,CO-ADD:0294420,9.42,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)NC(C)C)c1Cl,0.0
18681,CO-ADD:0295223,9.42,c1(nc(c2n1Cc(nc(N)nc3N(CC4)CCO4)n3)cccc2)c5nonc5N,0.0
18682,CO-ADD:0291503,9.42,c1(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3nc(C(=O)Nc(cccn4)c4)c1Cl,0.0
18683,CO-ADD:0299568,9.42,C(=O)(N\N=C\c(cc1)ccc1F)C(=O)Nc(cc2)ccc2C,0.0
18684,CO-ADD:0292136,9.42,[N+](=O)([O-])c1ccc(cc1NCCO)N(CC2)CCO2,0.0
18685,CO-ADD:0287907,9.42,C(C#N)(C1c2ccc(cc2)Cl)=C(SCC(CC)=O)NC(C)=C1C(C)=O,0.0
18686,CO-ADD:0291675,9.42,c1(NC(C)=O)sc2c(cccc2OC(C)=O)c1C(OCC)=O,0.0
18687,CO-ADD:0290723,9.42,S(=O)(=O)(c1c(C)ccc(Cl)c1)Oc2c(Cl)cc(c(cccn3)c23)Cl,0.0
18688,CO-ADD:0292776,9.42,C1(c2ccccc2)(NN3C(=N4)SCC3=O)C4(c5ccccc5)N(C(=O)N1C)C,0.0
18689,CO-ADD:0296127,9.42,C(F)(F)(F)c(cc(cc1C(F)(F)F)NC(=O)c2ccco2)c1,0.0
18690,CO-ADD:0293508,9.42,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2c4cccc(C)c4)=O,0.0
18691,CO-ADD:0292459,9.42,C(C(OCC)=O)(C(c1ccccc1O)N2)=C(C)N(C2=O)C,0.0
18692,CO-ADD:0292425,9.42,c12c([nH]nc1C(C)(C)C)OC(N)=C(C#N)C2c3ccc(C)s3,0.0
18693,CO-ADD:0295122,9.42,S(=O)(=O)(NC(=O)Nc1nc(C)cc(OC)n1)c2c(OC)cc(nc2Cl)C,0.0
18694,CO-ADD:0294313,9.42,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(ccc4c5c(cccc6)c6n4CC)c5,0.0
18695,CO-ADD:0294557,9.42,N1(C(c2ccccc2)CC(=N1)C3=C(c4ccccc4)c5c(ccc(Br)c5)NC3=O)C(=O)c6ccc(cc6)C,0.0
18696,CO-ADD:0292803,9.42,[N+](=O)([O-])c1ccc(cc1C)C(=O)Nc2cc(C)ccn2,0.0
18697,CO-ADD:0296110,9.42,[N+](=O)([O-])c1ccc(cc1N\N=C(\C2CCN3CC2)/C3)N4CCCC4,0.0
18698,CO-ADD:0295644,9.42,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C/c(ccc3c(cc4)ccc4C(O)=O)o3)\C1=O)=O,0.0
18699,CO-ADD:0294625,9.42,n1c(c(ccc(c2[N+](=O)[O-])N3CCC(CC3)C)c2)[nH]c(c4ccccc4)c1c5ccccc5,0.0
18700,CO-ADD:0287216,9.42,N1(CC(CC1C2)(C)CC2(C)C)C(=O)c3ccc(cc3)N,0.0
18701,CO-ADD:0286365,9.42,C(C#N)(C(c1ccc(cc1)F)C2=C(N3c4ccc(cc4OC)OC)CC(C)(C)CC2=O)=C3N,0.0
18702,CO-ADD:0299902,9.41,N(=N1)N(c(cc2)ccc2[N+](=O)[O-])C(C13)C(CC34)C(C45)CC=C5,0.0
18703,CO-ADD:0286120,9.41,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCC2)C(=O)Nc(cc4)ccc4C,0.0
18704,CO-ADD:0299509,9.41,N1(c2ccccc2C(OC)=O)C(C)=CC(NC1=S)(C)C,0.0
18705,CO-ADD:0299272,9.41,N1(c2ccccc2F)C(=O)C(CC1=O)Nc(cc3)ccc3OC,0.0
18706,CO-ADD:0299504,9.41,c1(ccc(cc1Cl)Cl)NNC(C)=O,0.0
18707,CO-ADD:0290391,9.41,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc(cccc2C(=O)Nc3ccccc3C(O)=O)c2,0.0
18708,CO-ADD:0290298,9.41,N(C1(CCCCC1)Cc(c23)cc(c(OC)c2)OC)=C3C,0.0
18709,CO-ADD:0299190,9.41,C1(C2c(cccc3[N+](=O)[O-])c3)=C(c4c(cccc4)OC1=O)OC(N)=C2C(OCC)=O,0.0
18710,CO-ADD:0299638,9.41,C(C)(C(c1ccccc1)N2)=C(CC)NC2=S,0.0
18711,CO-ADD:0299646,9.41,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccc(cc5)Cl)C1=O,0.0
18712,CO-ADD:0299670,9.41,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(cc(n3c(cc4)ccc4N(C)C)C)c3C)\N2,0.0
18713,CO-ADD:0290616,9.41,C(C(=O)c1ccc(cc1)OC)(C2c3ccccc3F)=C(O)C(N2C)=O,0.0
18714,CO-ADD:0294948,9.41,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3cc(Br)ccc3OC,0.0
18715,CO-ADD:0293109,9.41,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(ccc4c5c(cccc6)c6n4CC)c5)cccc3,0.0
18716,CO-ADD:0294003,9.41,N1(c(cc2)ccc2C(O)=O)C(=O)NC(\C(=C/c3ccco3)\C1=O)=O,0.0
18717,CO-ADD:0295817,9.41,c1(NC(Cc(cc2)ccc2F)=O)cc(on1)C,0.0
18718,CO-ADD:0295393,9.41,c1(C2c(cc(OC)c(c3[N+](=O)[O-])O)c3)c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
18719,CO-ADD:0293136,9.41,c1(c2c(sc1NC(=O)c3ccco3)CCCCC2)C(=O)Nc4ccccc4OCC,0.0
18720,CO-ADD:0304812,9.41,N1(C)CC(C)C(CC1(C)C)([H])O,0.0
18721,CO-ADD:0164506,9.41,Sc1[nH]cnc2ncnc12,0.0
18722,CO-ADD:0164522,9.41,NNC(=O)c1ccncc1,0.0
18723,CO-ADD:0154600,9.41,CC1=CC=C(N=C(Cl)C(/C=N/N)=C2)C2=C1,0.0
18724,CO-ADD:0154595,9.41,ClC1=NC2=CC(OC)=CC=C2C=C1C3C(C(C)=O)=C(OC4=C3C(N)=C5C(CCCCC5)=N4)C,0.0
18725,CO-ADD:0304617,9.41,C12(SC(=NN1c3cccc(C)c3)C(C)=O)N(c4ccccc4)C(=NN2C(C)=O)c5ccccc5,0.0
18726,CO-ADD:0154589,9.4,CC1=CC=C(N=C(C(C=O)=C2)OC)C2=C1,0.0
18727,CO-ADD:0305369,9.4,N1(CNc(cc2)ccc2O)C(=O)C(C3C1=O)C(CC34)C=C4,0.0
18728,CO-ADD:0217218,9.4,C(=O)(Nc1ccccc1OCC(F)(F)C(F)F)c2ccccc2Cl,0.0
18729,CO-ADD:0217603,9.4,C(=O)(N\N=C\c1ccccc1Br)C(C)Oc2cccc(cccn3)c23,0.0
18730,CO-ADD:0217598,9.4,c1(N(CC2)CCO2)nc(NCCC)nc(NCCC)n1,0.0
18731,CO-ADD:0217606,9.4,C(COc1ccccc1CC=C)(=O)N\N=C\c2cccc(Cl)c2,0.0
18732,CO-ADD:0217661,9.4,C(COc(cc1)ccc1OC)(=O)N\N=C\c2ccccc2OCC#C,0.0
18733,CO-ADD:0217221,9.4,C(F)(F)(COc1ccccc1NC(=O)c2ccc(cc2)Br)C(F)F,0.0
18734,CO-ADD:0304612,9.4,c1(SCC(=O)Nc2sccn2)sc(c3n1)ccc(Cl)c3,0.0
18735,CO-ADD:0305311,9.4,n(c(OC)nc(n1)OC)c1Cl,0.0
18736,CO-ADD:0304871,9.4,c12c(n(c(N\N=C\c(cc(Cl)cc3Cl)c3OC)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
18737,CO-ADD:0164971,9.4,C\C=C1\[C@@H]2Cc3nc(O)ccc3[C@@]1(N)CC(C)=C2,0.0
18738,CO-ADD:0164975,9.4,CC(Cc1ccccc1)(NC(=O)CN)c1ccccc1.Cl,0.0
18739,CO-ADD:0164631,9.4,COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl,0.0
18740,CO-ADD:0217533,9.4,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc(I)cc2I)c2O)=C\c3cccs3,0.0
18741,CO-ADD:0217635,9.4,[N+](=O)([O-])c(cc1)ccc1c2ocnn2,0.0
18742,CO-ADD:0300325,9.4,N1(c2ccc(cc2)C)C(c3ccc(cc3)SC)Nc(c4C1=O)cccc4,0.0
18743,CO-ADD:0217626,9.4,C(COc1cccc(cccn2)c12)(=O)N\N=C\c3ccccc3Br,0.0
18744,CO-ADD:0300941,9.4,C(=O)(NCc(cc1)ccc1F)C(NCCc(ccc(c2OC)OC)c2)=O,0.0
18745,CO-ADD:0216831,9.4,C(=O)(N\N=C\c1ccc(cc1OCc2ccccc2)OCc3ccccc3)c4ccc(cc4)O,0.0
18746,CO-ADD:0301203,9.4,N1(c2ccc(cc2)OCC)CC(CC1=O)C(NCCc(ccc(c3OC)OC)c3)=O,0.0
18747,CO-ADD:0301124,9.4,N1(c(cccc2C(F)(F)F)c2)C(=O)C(N(CCN(CC3)CCO3)C1=S)CC(=O)Nc(cc4)ccc4C(OC)=O,0.0
18748,CO-ADD:0305329,9.4,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCC(OCC)=O)N3c4ccc(cc4)OC,0.0
18749,CO-ADD:0304743,9.4,c(c1ccccc1C(O)=O)([nH]nn2)n2,0.0
18750,CO-ADD:0164639,9.4,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO.Cl,0.0
18751,CO-ADD:0164597,9.4,CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F,0.0
18752,CO-ADD:0164653,9.4,COc1ccc(cc1OC)C(=O)NCc1ccc(OCCN(C)C)cc1.Cl,0.0
18753,CO-ADD:0164685,9.4,CNC(=N)NCCC[C@H](N)C(O)=O.CC(=O)O,0.0
18754,CO-ADD:0165065,9.4,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,0.0
18755,CO-ADD:0164742,9.39,COc1ccc2[nH]cc(CCN)c2c1,0.0
18756,CO-ADD:0164793,9.39,Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,0.0
18757,CO-ADD:0164487,9.39,C1CN=C(N1)C1CCCc2ccccc12.Cl,0.0
18758,CO-ADD:0304674,9.39,C(=O)(NC(CC1(C)C)CC(N1)(C)C)C(=O)Nc(ccc(c2C)Br)c2,0.0
18759,CO-ADD:0158196,9.39,NC(S1)=C(C(OCC)=O)C2=C1CN(CC3=CC=CC=C3)CC2,0.0
18760,CO-ADD:0305114,9.39,c1([N+](=O)[O-])nn(c(Br)n1)CC(=O)Nc(cccc2[N+](=O)[O-])c2,0.0
18761,CO-ADD:0158260,9.39,[O-][N+](C(C=C1/C=N/NC(C(C=C2)=CC=C2F)=O)=C(Cl)C=C1Cl)=O,0.0
18762,CO-ADD:0301197,9.39,c1(C(=O)Nc2cccc(Cl)c2)sc3c(c(COC)cc(C)n3)c1N,0.0
18763,CO-ADD:0301126,9.39,N1(c2ccc(cc2)Cl)C(=O)C(N(CCNc3c(Cl)c(Cl)c(c(Cl)c3Cl)Cl)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
18764,CO-ADD:0300311,9.39,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3c(CC)cccc3C,0.0
18765,CO-ADD:0300327,9.39,N1(c2ccc(c(Cl)c2)C)CC(CC1=O)C(NCCc3ccccc3)=O,0.0
18766,CO-ADD:0301159,9.39,C(F)(F)(F)c1cccc(c1)N\C=C\C(=O)c2ccc(cc2)Br,0.0
18767,CO-ADD:0300928,9.39,C(=S)(NCc1ccccc1)N(Cc2ccccc2)Cc3ccccc3,0.0
18768,CO-ADD:0300748,9.39,C12(C#N)C(c3ccc(cc3)OC)OC4(C(CCCC4)C1(C#N)C#N)OC2=N,0.0
18769,CO-ADD:0301093,9.39,N1(c2ccc(c(Cl)c2)N(CC3)CCO3)C(N(N=C1C(C)=O)c4ccccc4)c5c6c([nH]c5)cccc6,0.0
18770,CO-ADD:0300974,9.39,c1(c2cccc(c2)NC(=O)\C=C\c(cc3)ccc3F)nncn1C,0.0
18771,CO-ADD:0300918,9.39,c1(c2ccc(cc2)C)nonc1N,0.0
18772,CO-ADD:0300784,9.39,C1(=O)c(cccc2)c2CC(C(OCC)=O)O1,0.0
18773,CO-ADD:0304620,9.39,N1(C(=O)c2ccc(cc2)OC)N=CN(C)C1=S,0.0
18774,CO-ADD:0304629,9.39,N1(C(C)CCCC1C)C(=O)c2cccc(N)c2,0.0
18775,CO-ADD:0215180,9.39,c1(c2ccccc2)cc(ccc1C(=O)OCC(c3ccccc3)=O)C(=O)OCC(c4ccccc4)=O,0.0
18776,CO-ADD:0215244,9.39,N(=C(/C)\c1ccc(cc1)N)/NC(CNc2cccc(Br)c2)=O,0.0
18777,CO-ADD:0214983,9.38,[N+](=O)([O-])c1ccc(cc1)N\N=C\c2ccc(cc2OC(=O)c3ccc(cc3)OC)OC(=O)c4ccc(cc4)OC,0.0
18778,CO-ADD:0158205,9.38,O=C(C1=CC=C(CC)C=C1)CC(C2=CC=CC=C2)NC(C=C3)=CC=C3I,0.0
18779,CO-ADD:0301008,9.38,C1(=O)N(CC)c(c2N1CC)ccc(c2)[N+](=O)[O-],0.0
18780,CO-ADD:0300977,9.38,C(=O)(NC(C1)(CC(CC12)CC3C2)C3)c4ccccc4OCC(N)=O,0.0
18781,CO-ADD:0216828,9.38,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(cc2)ccc2OC(c3ccccc3)=O,0.0
18782,CO-ADD:0300865,9.38,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCO4,0.0
18783,CO-ADD:0217204,9.38,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C(=O)c(ccc(c5C6=O)C(O6)=O)c5,0.0
18784,CO-ADD:0217404,9.38,n1c2c(sc1c3ccc(cc3)\N=C\c(ccc4c5ccc(cc5)Br)o4)ccc(C)c2,0.0
18785,CO-ADD:0300905,9.38,S(NCCNc1cc(Cl)ccc1[N+](=O)[O-])(=O)(=O)c2ccc(c3c2)cccc3,0.0
18786,CO-ADD:0214981,9.38,c1(ccc(cc1Cl)Cl)C(=O)Oc2cc(ccc2\C=N\c(cc3)ccc3I)OC(=O)c4ccc(cc4Cl)Cl,0.0
18787,CO-ADD:0215554,9.38,N1(c(cc2)ccc2C(=O)Nc3ccccc3OC)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5ccccc5OC,0.0
18788,CO-ADD:0304786,9.38,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(OCCCCCCCCC)=O)C2c3ccco3,0.0
18789,CO-ADD:0164756,9.38,COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1,0.0
18790,CO-ADD:0164862,9.38,CCC(=O)[N-]S(=O)(=O)c1ccc(cc1)-c1c(C)onc1-c1ccccc1.[Na+],0.0
18791,CO-ADD:0164524,9.38,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,0.0
18792,CO-ADD:0158229,9.38,O=C(N/N=C/C(C=CC=C1)=C1OCC2=CC=CC=C2)C3C(C4=CC=CC=C4)(C5=CC=CC=C5)C3,0.0
18793,CO-ADD:0300970,9.38,N(CN(CC1)CCC12OCCO2)(N=C(N3c4ccccc4)c5ccccc5Cl)C3=S,0.0
18794,CO-ADD:0300745,9.38,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCC3(O)c4ccc(cc4)Br)C1=O,0.0
18795,CO-ADD:0300281,9.38,C(=C\c(cc(OCO1)c1c2)c2Cl)(/C(=O)NC(N3C)=O)\C3=O,0.0
18796,CO-ADD:0304759,9.38,c12c(n(c(SCC(=O)N(CC3)CCO3)n1)CCCCCCCC)C(N(C)C(=O)N2C)=O,0.0
18797,CO-ADD:0217706,9.38,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc2ccccc2,0.0
18798,CO-ADD:0215034,9.38,C1(CC1)(C(C=C2)C(C3C(=O)Nc(ccc(c4Cl)Cl)c4)C(O)=O)C23,0.0
18799,CO-ADD:0215075,9.38,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3ccco3,0.0
18800,CO-ADD:0214979,9.38,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\NC(=O)c3c(O)cc(c4c3)cccc4,0.0
18801,CO-ADD:0217691,9.38,c1(\C=N\Nc2cccc(cccc3)c23)c4c(cccc4)cc(cccc5)c15,0.0
18802,CO-ADD:0215266,9.38,N1(CNc2cccc(Br)c2)C(=O)\C(\SC1=S)=C/c3ccccc3,0.0
18803,CO-ADD:0215194,9.38,N1(c2c(ccc(c2)[N+](=O)[O-])OC(C)=O)C(=O)c3c(cc(cc3)Br)C1=O,0.0
18804,CO-ADD:0217216,9.38,N(=C\c(cc1)ccc1F)/NC(CCC(=O)NC2CCCCC2)=O,0.0
18805,CO-ADD:0217657,9.38,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(=O)c(cccc4[N+](=O)[O-])c4.CC(=O)O,0.0
18806,CO-ADD:0164717,9.38,COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C,0.0
18807,CO-ADD:0164815,9.38,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1ccccc1,0.0
18808,CO-ADD:0164839,9.38,CC(C)NCC(O)c1cc(O)cc(O)c1,0.0
18809,CO-ADD:0164731,9.38,Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12,0.0
18810,CO-ADD:0164435,9.38,CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O.OC(=O)/C=C\C(=O)O,0.0
18811,CO-ADD:0300754,9.38,C1(C)(C)C(c2ccc(cc2)Cl)OC(C(CC)C1=O)=O,0.0
18812,CO-ADD:0300595,9.38,c1(NC(COc2ccccc2C)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
18813,CO-ADD:0300619,9.38,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cc(Br)ccc5F)cccc4,0.0
18814,CO-ADD:0301130,9.38,c1(NCn2c(C)cc(C)n2)nonc1NCn3c(C)cc(C)n3,0.0
18815,CO-ADD:0300883,9.37,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCN2C(=O)c3ccccc3F,0.0
18816,CO-ADD:0300923,9.37,n1(c2c(nc1SCC)cccc2)C(=O)c3ccc(cc3)Cl,0.0
18817,CO-ADD:0215270,9.37,N1(c(cc2)ccc2C(OC)=O)C(=O)C3C(C(c4ccccc4)C=CC3c5ccccc5)C1=O,0.0
18818,CO-ADD:0217694,9.37,N1(c2ccc(cc2)\C=C\C(c3ccccc3)=O)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc(cc5)ccc5\C=C/C(c6ccccc6)=O,0.0
18819,CO-ADD:0215030,9.37,c1(SCC(=O)N\N=C\c(cc2)ccn2)sc(c3n1)cccc3,0.0
18820,CO-ADD:0215232,9.37,[N+](=O)([O-])c1ccccc1NC(OCC(F)(F)F)=O,0.0
18821,CO-ADD:0215032,9.37,n1(CC)c2c(c(cc(cc3)NC(=O)C\C(\C)=N\NC(=O)c4ccccc4O)c13)cccc2,0.0
18822,CO-ADD:0215043,9.37,c1(SCC(=O)N\N=C\c(cc2)ccn2)[nH]c(c3n1)cccc3,0.0
18823,CO-ADD:0305232,9.37,N1(c(ccc(c2C(F)(F)F)N(CC3)CCO3)c2)C(C)=Nc(c4C1=O)cccc4,0.0
18824,CO-ADD:0217176,9.37,S(=O)(=O)(c1ccc(cc1)I)NCC(NC)=O,0.0
18825,CO-ADD:0216965,9.37,C(=O)(N\N=C(\C)/CC(=O)Nc1cc(C)ccc1OC)c2cccs2,0.0
18826,CO-ADD:0164402,9.37,CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O,0.0
18828,CO-ADD:0164842,9.37,Nc1nc(O)c2ncn(COC(CO)CO)c2n1,0.0
18829,CO-ADD:0305158,9.37,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2cccc(OC)c2OC,0.0
18830,CO-ADD:0304571,9.37,N1\C(=N\N=C(/CC2)\CCC2C(C)(C)C)\SC(CC(O)=O)C1=O,0.0
18831,CO-ADD:0300645,9.37,c1(NC(=O)c2ccccc2OC)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccc(cc3C)C,0.0
18832,CO-ADD:0305112,9.37,N1C(=O)NC(C(I)=C1Cl)=O,0.0
18833,CO-ADD:0301076,9.37,S(=O)(=O)(Nc1ccccc1)c(cc2)cc(c23)CCN3C(C)=O,0.0
18834,CO-ADD:0301100,9.37,N1(c2ccc(c(C)c2)C)C(c3cccc(OC)c3OCc4ccccc4)N(N=C1C(C)=O)c5ccccc5,0.0
18835,CO-ADD:0300844,9.37,c1(c(O)ccc(cccc2)c12)\C=N\c3cc(ccc3N(C)CCO)C(F)(F)F,0.0
18836,CO-ADD:0304580,9.37,c(c(C)c(s1)C)(C2=O)c1N=C(SCC(=O)Nc3ccccc3C(OC)=O)N2c4ccccc4,0.0
18837,CO-ADD:0305061,9.37,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c5cccc(I)c5)O1,0.0
18838,CO-ADD:0300404,9.37,C1(C)(C(=O)C2)C(CCC1C(C)CCC(OC)=O)C(C23)CCC(C[C@@H](CC4)OC(c5ccccc5)=O)C34C,0.0
18839,CO-ADD:0300341,9.37,C12(c3c(NC1=O)cccc3)SC(C(=O)N2c4ccc(cc4)Br)C,0.0
18840,CO-ADD:0304621,9.37,C1(=S)N(CCC(C)C)NC2(CCCCC2)N1,0.0
18841,CO-ADD:0216997,9.37,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CSCc2ccccc2C)=O,0.0
18842,CO-ADD:0216930,9.37,C(C(c1ccccc1)=O)C(c(cc2)ccc2C(C)C)Nc(cc3)ccc3I,0.0
18843,CO-ADD:0217130,9.37,C(C(OCC)=O)(C1c(cc2)ccn2)=C(c3ccccc3)OC(N)=C1C#N,0.0
18845,CO-ADD:0164788,9.36,Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1,0.0
18846,CO-ADD:0217291,9.36,c1(Br)cc(Br)cc(C)c1N.Br,0.0
18847,CO-ADD:0217507,9.36,n1c(ccc(c2)C)c2oc1c3ccc(cc3)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br,0.0
18848,CO-ADD:0158023,9.36,O=C(C(NCCCO)=O)NC(C=CC=C1)=C1F,0.0
18849,CO-ADD:0300420,9.36,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(CC1=O)NCc3ccc(cc3Cl)Cl,0.0
18850,CO-ADD:0300641,9.36,C1(C(=O)OC2CCCC2)=C(C)NC(=C3C1c4ccc(C)s4)CCCC3=O,0.0
18851,CO-ADD:0217184,9.36,[N+](=O)([O-])c1ccccc1\C=N\c2cccc(c2)\N=C\c3ccccc3[N+](=O)[O-],0.0
18852,CO-ADD:0217325,9.36,c(Nc1ccccc1)(nc(N\N=C/c(ccc2c(cccc3[N+](=O)[O-])c3)o2)nc4Nc(cc5)ccc5OC)n4,0.0
18853,CO-ADD:0217341,9.36,n1c2c(oc1c3ccc(cc3)\N=C\c4c(O)cc(c(Cl)c4C)C)cccc2,0.0
18854,CO-ADD:0164412,9.36,CC(C)NCC(O)COc1cccc2ccccc12.Cl,0.0
18855,CO-ADD:0164420,9.36,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O,0.0
18856,CO-ADD:0164467,9.36,CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O.OS(=O)(=O)c1ccccc1,0.0
18857,CO-ADD:0164909,9.36,CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1.[Br-],0.0
18858,CO-ADD:0304624,9.36,n1(c2cc(C)ccc2OC)nc(c3n1)cccc3,0.0
18859,CO-ADD:0158131,9.36,O=C(C1=CC=NC=C1)N/N=C/C2=CC=C(C(Br)=C2)OC,0.0
18860,CO-ADD:0300414,9.36,n1c(O)cc(nc1SCC(=O)Nc2ccc(cc2C)C)CCC,0.0
18861,CO-ADD:0305190,9.36,c(C(OC)=O)(s1)c(O)c(c1C(OC)=O)O,0.0
18862,CO-ADD:0305206,9.36,C(=O)(OCC(=O)c1ccc(c(OC)c1)OC)c2ccc(c(OC)c2)OC,0.0
18863,CO-ADD:0305230,9.36,[N+](=O)([O-])c1c(ccc(C(O)=O)c1)OCC(F)(F)C(F)F,0.0
18864,CO-ADD:0305054,9.36,c1(C2c3ccccc3OCCC)c([nH]nc1c4ccc(cc4)OC)OC(N)=C2C#N,0.0
18865,CO-ADD:0304495,9.36,c1(nc(CC(C)C)cc(c2ccccc2OC)c1C#N)N(C(C)=O)C(C)=O,0.0
18866,CO-ADD:0304992,9.36,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Br)=C(O)C(N2CCCC(O)=O)=O,0.0
18867,CO-ADD:0164952,9.36,c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1,0.0
18868,CO-ADD:0164976,9.36,FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1.Cl,0.0
18869,CO-ADD:0164530,9.36,CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12.Cl,0.0
18870,CO-ADD:0164496,9.36,CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O,0.0
18871,CO-ADD:0164882,9.36,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,0.0
18872,CO-ADD:0218520,9.36,C(=O)(N\N=C\c(cc1)ccc1F)C(=O)Nc(ccc(c23)cccc2)c3,0.0
18873,CO-ADD:0217992,9.36,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cc4)ccc4OC(=O)c5ccc(cc5)Br,0.0
18874,CO-ADD:0218449,9.36,C(=O)(N\N=C\c1cccc(OC)c1O)c2ccc(c(OC)c2)OC,0.0
18875,CO-ADD:0300622,9.35,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(c(O)c5)OC)cccc4,0.0
18876,CO-ADD:0305035,9.35,N1(c2ccc(cc2)Cl)C(=O)c3c(NC1c4cccc(OC)c4OC)cccc3,0.0
18877,CO-ADD:0304443,9.35,c1(noc(c(cccc2[N+](=O)[O-])c2C)n1)c3nonc3N,0.0
18878,CO-ADD:0304451,9.35,c1(cn(nc1C(O)=O)C)[N+](=O)[O-],0.0
18879,CO-ADD:0305048,9.35,[C@@H]1(Oc(cc2)ccc2\C=N\NC(c(cc3)ccn3)=O)O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O,0.0
18880,CO-ADD:0305064,9.35,C(Nc(cccc1)c1C2(c3ccccc3)c4ccccc4)(c5cc(Br)ccc5O)O2,0.0
18881,CO-ADD:0301119,9.35,N1(C(C)(C)C)C(C#CC(C)(C)C)N(N=C1c2ccccc2)c3ccccc3,0.0
18882,CO-ADD:0300370,9.35,n1(c(cc2)ccc2C(OCCC)=O)nnnc1SCC(=O)Nc3ccccc3C(OC)=O,0.0
18883,CO-ADD:0305074,9.35,c1(sc2c(c(COC)cc(C)n2)c1N)C(=O)N(c3ccccc3)c4ccccc4,0.0
18884,CO-ADD:0217153,9.35,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2Cl)Cl,0.0
18885,CO-ADD:0217297,9.35,C(=O)(N\N=C\c(cc1)ccc1OC\C=C\Cl)c2ccc(cc2)OCCCCCCCCCC,0.0
18886,CO-ADD:0217330,9.35,c1(c(O)cc(c(Cl)c1C)C)\C=N\c2ccc(cc2O)C,0.0
18887,CO-ADD:0164962,9.35,Nc1c2CCCCc2nc2ccccc12.Cl,0.0
18888,CO-ADD:0218457,9.35,[N+](=O)([O-])c1cccc(C(CCNc2ccccc2Br)=O)c1,0.0
18889,CO-ADD:0218713,9.35,C(=C/c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cccc(Br)c3,0.0
18890,CO-ADD:0300400,9.35,c1(c2c(sc1NC(=O)c3ccc(c(OC)c3)OC)CCCC2)C(=O)Nc4cccc(cccc5)c45,0.0
18891,CO-ADD:0304523,9.35,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(OCC)=O)C2c3ccco3,0.0
18892,CO-ADD:0304996,9.35,n(c(NCC(OCC)=O)nc(n1)NCC=C)c1NCC(OCC)=O,0.0
18893,CO-ADD:0158201,9.35,O=C(NC(C=C1)=CC=C1I)C2=CC=CS2,0.0
18894,CO-ADD:0305033,9.35,C1(CC)(CC(OC1=O)CSc2[nH]c(c3n2)cccc3)C(OCC)=O.Cl,0.0
18895,CO-ADD:0305185,9.35,C1(c2cc(OC)ccc2OC)C(=CNC=C1C(OC)=O)C(OC)=O,0.0
18896,CO-ADD:0304610,9.35,n1(c2cccc(Cl)c2)nnnc1SCCCC#N,0.0
18897,CO-ADD:0156625,9.35,O=C(N[C@H](C(O)=O)CC1=CC=CC=C1)CC2=CC=CC(Br)=C2,0.0
18898,CO-ADD:0159661,9.35,NC1=C2C(C=C(C3=CC=C(C(N4CCOCC4)=O)C=C3)S2)=NC=N1,0.0
18899,CO-ADD:0304964,9.35,N1(CNc2ccccc2Cl)N=C(OC1=S)c3ccc(cc3)OCC,0.0
18900,CO-ADD:0159666,9.35,C1(SC=C2)=C2C3(CCN(CC4=CC(OCCO5)=C5C=C4)CC3)OCC1,0.0
18901,CO-ADD:0217203,9.35,[N+](=O)([O-])c1ccc(cc1)N\N=C\c2ccccc2OC(=O)c3ccc(cc3)Cl,0.0
18902,CO-ADD:0305028,9.35,c12c(cc(CC(C)C)nc1N)c3c(OC2=O)cccc3,0.0
18903,CO-ADD:0300296,9.35,N(C)(C(=O)C(Cc(cc1)ccc1OCc2ccccc2)C(N3C)=O)C3=O,0.0
18904,CO-ADD:0217370,9.35,c1(OCC(=O)N\N=C\c2ccc(C)o2)c(OC)cc(cc1Br)Br,0.0
18905,CO-ADD:0216942,9.35,C(C(C)SCc1ccccc1)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
18906,CO-ADD:0217054,9.35,n1c(c2ccc(c(C)c2)F)csc1Nc(ccc(c34)cccc3)c4.Br,0.0
18907,CO-ADD:0217078,9.35,c1(ccc(cc1Cl)Cl)C(=O)Oc2ccc(c3c2\C=N\c(cc4)ccc4Cl)cccc3,0.0
18909,CO-ADD:0304941,9.34,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)c4ccccc4C(=O)N5CCCC5)n1,0.0
18910,CO-ADD:0304462,9.34,c1(C(=O)NCc2ccco2)nnn(Cc(cc3)ccc3Cl)c1N,0.0
18911,CO-ADD:0304969,9.34,N(CC1C)(CC(O1)C)Cc2ccc(cc2Cl)C#N.Cl,0.0
18912,CO-ADD:0217671,9.34,c1(c(ccc(c1)[N+](=O)[O-])NC(=O)CN2CCCCC2)[N+](=O)[O-],0.0
18913,CO-ADD:0216856,9.34,n1(cnc(c1)n2cc(c3ccccc3Cl)nn2)C(C)(C)C,0.0
18914,CO-ADD:0304806,9.34,C1(=O)N(CCCCN2CCCC2)C(C)=CC(=O)N1C,0.0
18915,CO-ADD:0304854,9.34,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc(cc4)ccc4OC)c5ccccc5,0.0
18916,CO-ADD:0305335,9.34,N1(c2cccc(OC)c2)C(=O)c3c(N=C1\C=C(\c(cccc4)c4N5CC)/C5=O)cccc3,0.0
18917,CO-ADD:0217371,9.34,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C/c(ccc2c(cc3)ccc3C(O)=O)o2)nc4Nc(cc5)ccc5OC)n4,0.0
18918,CO-ADD:0217172,9.34,[N+](=O)([O-])c1cccc(c1)\C=N/NC(CCCCCCC\C=C\CCCCCCCC)=O,0.0
18919,CO-ADD:0216935,9.34,C(C(C)SCc1ccccc1)(=O)N\N=C\c(cc2)ccc2Cl,0.0
18920,CO-ADD:0218026,9.34,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c(ccc(c4Cl)Cl)c4,0.0
18921,CO-ADD:0217492,9.34,[N+](=O)([O-])c(cc1)cc(c1c2ccc(\C=N/c3cccc(C)c3)o2)Cl,0.0
18922,CO-ADD:0300675,9.34,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2ccc(cc2)C,0.0
18923,CO-ADD:0300500,9.34,c1(N=NC(=O)C(O)(c2ccccc2)c3ccccc3)c4c(n(C)c1O)cccc4,0.0
18924,CO-ADD:0158130,9.34,O=C(C(O)C1=CC=CC=C1)N/N=C/C(C(O)=C2)=C(C)C=C2O,0.0
18925,CO-ADD:0301215,9.34,c1(c2c(sc1NC(=S)c3ccccc3C)CCCC2)C(=S)N(CC4)CCO4,0.0
18926,CO-ADD:0300657,9.34,C(C(OCCOC(C)C)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
18927,CO-ADD:0304796,9.34,c1(c(cccc1C=O)OC)OCc(cc2)ccc2F,0.0
18928,CO-ADD:0305347,9.34,C(/C(=O)NCC(OCC)=O)(\NC(c1ccccc1)=O)=C/c2ccco2,0.0
18929,CO-ADD:0304843,9.34,n1cn(c(ccc(c2)Nc(c(cccc3)c3c(n4)c5ccc(cc5)OC)n4)c12)C,0.0
18930,CO-ADD:0217012,9.34,C(OC)(=O)c1ccc(cc1)\C=N\NC(CSCc2ccccc2C)=O,0.0
18931,CO-ADD:0217384,9.34,c1(OCC(=O)N\N=C\c(ccc2I)o2)c(OC)cc(cc1Br)Br,0.0
18932,CO-ADD:0217193,9.34,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c(cc3)ccc3N=Nc4ccccc4,0.0
18933,CO-ADD:0164548,9.34,O[C@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1,0.0
18934,CO-ADD:0304514,9.34,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3Br)C2c(cc4)ccn4,0.0
18935,CO-ADD:0304578,9.34,c1(ccc(cc1OC)SC)C(NCCOc2ccccc2Cl)=O,0.0
18936,CO-ADD:0305186,9.34,C(C(OC)=O)(=CN(CC)C=C1C(OC)=O)C1c(cc2OC)cc(c2OC)OC,0.0
18937,CO-ADD:0158168,9.34,[O-][N+](C(C=C1)=CC=C1N/N=C/C(C=CC=C2)=C2OCC3=CC=C(Cl)C=C3)=O,0.0
18939,CO-ADD:0301021,9.33,c1(OCc(cc2)ccc2Br)c(OC)cc(cc1Br)C=O,0.0
18940,CO-ADD:0301077,9.33,S(=O)(=O)(N(C)C)c(cc1)cc(c12)CCN2C(C)=O,0.0
18941,CO-ADD:0300321,9.33,c1(cccs1)C(CCNc2c(OC)cc(c(Cl)c2)OC)=O,0.0
18942,CO-ADD:0301129,9.33,c12c(n(c(SCC(N)=O)n1)C)C(N(C)C(=O)N2C)=O,0.0
18943,CO-ADD:0300962,9.33,c1(ccc(cc1OC)SC)C(NCCOc2ccccc2c3ccccc3)=O,0.0
18944,CO-ADD:0304892,9.33,c1(CC)cc(Br)ccc1NN.Cl,0.0
18945,CO-ADD:0304605,9.33,[N+](=O)([O-])c1ccc(cc1)COc2c(Br)cc(cc2Br)C=O,0.0
18946,CO-ADD:0305309,9.33,n1c(N)nc(c(Br)c1SCC(OCC)=O)C,0.0
18947,CO-ADD:0305333,9.33,C12=C(c3c(cccc3)CC14CCCCC4)N=C(SCCCC)NC2=O,0.0
18948,CO-ADD:0164626,9.33,CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1.O.Cl,0.0
18949,CO-ADD:0164664,9.33,C1CNC(C1)c1cccnc1,0.0
18950,CO-ADD:0165044,9.33,OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1.Cl,0.0
18951,CO-ADD:0165040,9.33,CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C,0.0
18952,CO-ADD:0164735,9.33,Clc1ccc2c(CCc3cccnc3C2=C2CCNCC2)c1,0.0
18953,CO-ADD:0164863,9.33,C1Cc2c(CN1)[nH]c1ccccc21,0.0
18954,CO-ADD:0164776,9.33,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl,0.0
18955,CO-ADD:0305220,9.33,C12=C(CCCCCC1)Nc(c3C2=O)cccc3,0.0
18956,CO-ADD:0300630,9.33,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4cccc(F)c4,0.0
18957,CO-ADD:0300938,9.33,C(=O)(NCc(cc1)ccc1OC)C(NCCCN(CC2)CCO2)=O,0.0
18958,CO-ADD:0304966,9.33,c1(SC2CCCCC2=O)nc(N)c(c(c(cc3)ccc3C(C)C)c1C#N)C#N,0.0
18959,CO-ADD:0304982,9.33,N1(c2ccc(c(Cl)c2)NC(c3ccccc3)=O)C(=O)C(C(CC=C4)C1=O)C4,0.0
18960,CO-ADD:0319572,9.33,c12c(nnc(SCc(cc(OCO3)c3c4)c4Cl)n1)c5c(cccc5)n2CC=C,0.0
18961,CO-ADD:0319165,9.33,[N+](=O)([O-])c(cc1)ccc1C(=O)CNc(ccc(c23)c4c(cccc4)o2)c3,0.0
18962,CO-ADD:0319085,9.32,n1c2c(cccc2)ccc1C(NCCc(ccc(c3OC)OC)c3)=O,0.0
18963,CO-ADD:0319101,9.32,C(=O)(Nc1ccc(c(OC)c1)OC)c(cc2OCC)cc(c2OCC)OCC,0.0
18964,CO-ADD:0319158,9.32,n12c(cccc1Cl)nnc2c3ccc(cc3)Cl,0.0
18965,CO-ADD:0319365,9.32,N1(C(=O)\C(\SC1=N)=C/c(ccc2c(cccc3C(O)=O)c3)o2)c4nonc4N,0.0
18966,CO-ADD:0321092,9.32,c1(NC(=O)c2ccccc2OCC)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
18967,CO-ADD:0312518,9.32,[C@H]12O[C@]3([C@@H](C1)CN(S(=O)(=O)c4ccc(NC(C)=O)cc4)C3)C=C2,0.0
18968,CO-ADD:0307339,9.32,n1(c(O)cc(c2ccc(cc2)Cl)n1)c3sc(c4n3)cccc4,0.0
18969,CO-ADD:0307210,9.32,c1(SCC(=O)Nc(cc2)ccc2OC(F)(F)F)[nH]c(c3n1)ccc(C)c3,0.0
18970,CO-ADD:0307193,9.32,c1(c(CC(Cl)(Cl)Cl)c(n2c3cccc(F)c3)C)c2CC(C)(C)CC1=O,0.0
18971,CO-ADD:0311496,9.32,C1(=NCC(C)(C)S1)N(c2ccc(cc2)OC(Cl)(F)F)C(=O)Nc3cccc(Cl)c3,0.0
18972,CO-ADD:0311297,9.32,n1(c2c(nn1)cccc2)S(=O)(=O)c3c(OCC)ccc(Br)c3,0.0
18973,CO-ADD:0303687,9.32,S(=O)(=O)(N(CC1)CCO1)c2c(C)ccc(c2)[N+](=O)[O-],0.0
18974,CO-ADD:0311887,9.32,C(=O)(C(O)(c1ccc(cc1)C)c2ccc(cc2)C)NN(c3ccccc3)C(=O)CCN(C)C,0.0
18975,CO-ADD:0311857,9.32,C(C(OCC)=O)(C(F)(F)F)(NC(c1ccccc1)=O)Nc2sc(c3c2C#N)CC(CC3)C,0.0
18976,CO-ADD:0302441,9.32,N(C1=O)C(=O)C(C(=O)N1)\C(\C)=N\NC(Cc(cc2)ccc2[N+](=O)[O-])=O,0.0
18977,CO-ADD:0303954,9.32,C(C(OCC)=O)(C1c2ccc(cc2)OC)=CN(C=C1C(OCC)=O)c3ccc(c(C)c3)C,0.0
18978,CO-ADD:0304031,9.32,N1(CCc(cc(Br)cc2)c12)C(=O)c(cccc3C(F)(F)F)c3,0.0
18979,CO-ADD:0301596,9.32,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(cccc5C(F)(F)F)c5)cccc4,0.0
18980,CO-ADD:0301825,9.32,c1(NC(COc(cc2)ccc2CCC)=O)sc(c3c1C#N)CCCCC3,0.0
18981,CO-ADD:0305555,9.32,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4ccccc4Br,0.0
18982,CO-ADD:0312261,9.32,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(cc3)OCCC,0.0
18983,CO-ADD:0307036,9.32,c12c([nH]nc1c3ccc(cc3)OCC)OC(N)=C(C#N)C2c4c[nH]nc4c5ccc(cc5)F,0.0
18984,CO-ADD:0312271,9.32,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccs4,0.0
18985,CO-ADD:0311176,9.32,c1(NC(=O)C(C)Oc(ccc(c2C)Cl)c2)sc(c(C)c1C(OC)=O)C,0.0
18986,CO-ADD:0312114,9.32,n1(cc(n2)c3ccc(cc3)F)c2ccc(Cl)c1.Br,0.0
18987,CO-ADD:0307370,9.32,c1(C(=O)OCc(ccc(c2[N+](=O)[O-])OC)c2)nonc1NCn3c(C)cc(C)n3,0.0
18988,CO-ADD:0311894,9.32,c1(c2cccs2)nc(c(C(C)=O)n1O)C,0.0
18989,CO-ADD:0307340,9.32,n1(CC)c(S)nnc1c2cc(OC)cc(OC)c2,0.0
18990,CO-ADD:0307333,9.32,n1(c2c(n3)cccc2)c3sc(c(c4c(ccc(c4)[N+](=O)[O-])n5)c6ccccc6)c15,0.0
18991,CO-ADD:0305966,9.32,n1c(c2ccc(cc2)C)csc1Cc3csc(c4ccc(cc4)C)n3,0.0
18992,CO-ADD:0311463,9.32,c1([nH]nc(C(C)(C)C)c1)C(F)(F)F,0.0
18993,CO-ADD:0320624,9.32,C(NCCOc1ccccc1C)(=O)\C=C\c(cc2)ccc2c3ccccc3,0.0
18994,CO-ADD:0319658,9.32,N(c(ccc(c1)Cl)c1NC(CC(c2ccccc2)CC3=O)=C34)(C(=O)C(F)(F)F)C4c5cccc(OC)c5,0.0
18995,CO-ADD:0323096,9.31,c1(C2c(cco3)c3)c([nH]nc1c4ccc(cc4)F)OC(N)=C2C#N,0.0
18996,CO-ADD:0323552,9.31,S(C)(=O)(=O)N(CCC#N)Cc1ccco1,0.0
18997,CO-ADD:0319261,9.31,c1(C(=O)NCc2ccccc2)c3c(cs1)CCCC3,0.0
18998,CO-ADD:0324049,9.31,s1c(C)nnc1SCC(=O)Nc(c2)cc(cc2C(F)(F)F)C(F)(F)F,0.0
18999,CO-ADD:0324769,9.31,N1(c2ccccc2)C(c3ccc(cc3)F)C(=C(Nc4ccccc4)C1=O)CC(O)=O,0.0
19000,CO-ADD:0324914,9.31,C1(N2CCS1)=C(C#N)C(C(C#N)C2=O)(C)C,0.0
19001,CO-ADD:0319254,9.31,c1(C2c(cccn3)c3)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
19002,CO-ADD:0324809,9.31,S(=O)(=O)(c(cc1)ccc1C(NCCC(C2)(CC3CC2CC4C3)C4)=O)N(CC5)CCO5,0.0
19003,CO-ADD:0324466,9.31,N1(NC(=O)c2ccc(cc2)Br)C(=O)c3c(NC1c4ccccn4)cccc3,0.0
19004,CO-ADD:0319249,9.31,S(=O)(=O)(c1ccc(cc1)NC(C)=O)\N=C(/NC2)\NCN2C3CCCCC3,0.0
19005,CO-ADD:0321250,9.31,S(=O)(=O)(Nc1ccc(cc1C)C)c2ccc(c3c2cccn3)OC,0.0
19006,CO-ADD:0320068,9.31,c1(C(OC)=O)c(N)c(c2s1)ccc(c2)SCC(O)=O,0.0
19007,CO-ADD:0319198,9.31,c1(NC(COc(ccc(c23)OCO2)c3)=O)sc(c4c1C(OCC)=O)CCCCC4,0.0
19008,CO-ADD:0319526,9.31,n1(nnc(C(OCC)=O)c1CNc2ccc(cc2OC)OC)c3nonc3N,0.0
19009,CO-ADD:0319549,9.31,c12c(n(c(N3CCCCC3)n1)CC\N=C(/CCC4)\N4)C(N(C)C(=O)N2C)=O,0.0
19010,CO-ADD:0319027,9.31,c1(NC(COc2ccc(cc2Br)Cl)=O)sc(c3c1C(OC)=O)CCCC3,0.0
19011,CO-ADD:0319686,9.31,N(c1c(cccc1)NC(CC(c2ccc(cc2)OC)CC3=O)=C34)(C(=O)CC(C)C)C4c5ccccc5Cl,0.0
19012,CO-ADD:0319800,9.31,c1(NC(=O)c2cccc(Cl)c2)sc(c(C)c1C(OC)=O)C,0.0
19013,CO-ADD:0324112,9.31,c1(c2c(sc1NC(C3CCCC3)=O)CCCC2)C(=O)OC(C)C,0.0
19014,CO-ADD:0324856,9.31,c1(cc(O)ccc1NC(CCc2ccccc2)=O)C(O)=O,0.0
19015,CO-ADD:0305681,9.31,C(=C(C)NC(=C1C#N)SCC(=O)c2ccc(cc2)F)(C(=O)Nc3ccccc3OC)C1c4ccco4,0.0
19016,CO-ADD:0305907,9.31,c1(NC(=O)C(C)Oc2ccccc2Br)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
19017,CO-ADD:0311198,9.31,c1(NC(=O)\C(\C#N)=C\c2ccco2)sc(c3c1C(OCCCC)=O)CCCC3,0.0
19018,CO-ADD:0311354,9.31,c1(C(=O)N(CC2)CCC2(c3ccccc3)C(OCC)=O)c(C)c4c(ccc(OCc5ccccc5)c4)[nH]1,0.0
19019,CO-ADD:0311602,9.31,C1(=NCC(C)S1)N(c2ccc(cc2)OC(F)(F)F)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
19020,CO-ADD:0307438,9.31,c1(Cl)nc(C)cc(C)c1C(N)=O,0.0
19021,CO-ADD:0310758,9.31,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccccc3OCc4ccccc4,0.0
19022,CO-ADD:0310797,9.31,c1(ccccc1NC(=O)c2ccc(cc2)C)C(OCCN3CCCC3=O)=O,0.0
19023,CO-ADD:0311643,9.31,S(C)(=O)(=O)N(c1ccccc1)NC(=O)C(O)(c2ccccc2)c3ccccc3,0.0
19024,CO-ADD:0302041,9.31,[N+](=O)([O-])c1ccc(cc1)OCCOc2ccc(cc2OC)\C=N\NC(N)=O,0.0
19025,CO-ADD:0302033,9.31,[N+](=O)([O-])c1c(NCCCN)ccc(c1)C(F)(F)F.Cl,0.0
19026,CO-ADD:0302927,9.31,C1(C(OCC)=O)=NN(C(c2cccs2)N1c(cc3)ccc3N(C)C)c4ccc(cc4)Cl,0.0
19027,CO-ADD:0303116,9.31,C1(C(F)(F)F)(C(F)(F)F)C(CCCC2)=C2N(C(N)=C1C#N)c3ccccc3OC,0.0
19028,CO-ADD:0302020,9.31,N1(CNc(cc2)ccc2F)C(=O)[C@]([C@]([H])(CC=C3)C1=O)([H])C3,0.0
19029,CO-ADD:0301899,9.3,c1(ccc(cc1NC(=O)c2cccs2)[N+](=O)[O-])C(=O)N3CCC(CC3)C,0.0
19030,CO-ADD:0312073,9.3,c1(SCC(=O)Nc2ccccc2c3ccccc3)[nH]c(c4n1)cccc4,0.0
19031,CO-ADD:0307060,9.3,c1(cc(F)c(cc1Br)F)C(=O)N(CC2)CCN2c(cc3)c(F)cc3[N+](=O)[O-],0.0
19032,CO-ADD:0311302,9.3,S(=O)(=O)(N(CCCN1S(=O)(=O)c2ccc(c(cccc3)c23)OCC)CC1)c4ccc(c(cccc5)c45)OCC,0.0
19033,CO-ADD:0310741,9.3,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(Cl)c3)Cl,0.0
19034,CO-ADD:0311886,9.3,C(=O)(C(O)(c1ccc(cc1)C)c2ccc(cc2)C)NN(c3ccccc3)C(=O)c4cccnc4N5CCCCC5,0.0
19035,CO-ADD:0307291,9.3,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3cccs3)N4CCC(CC4)C)[N+](=O)[O-],0.0
19036,CO-ADD:0311488,9.3,N(c1c(cccc1)NC(CC(c(cccc2[N+](=O)[O-])c2)CC3=O)=C34)(C(c5ccccc5)=O)C4c6ccc(cc6)C,0.0
19037,CO-ADD:0310993,9.3,c1(C(=O)c2ccc(cc2Cl)Cl)sc3c(c(C)cc(COC)n3)c1N,0.0
19038,CO-ADD:0306985,9.3,C(OC)(F)(C(F)(F)F)C(=O)Nc(cc1)cc(c1C(O)=O)[N+](=O)[O-],0.0
19039,CO-ADD:0320099,9.3,C1(C2c3ccc(cc3)C)=C(CC(c(ccc(c4Cl)Cl)c4)CC1=O)Nc(c5N2C(=O)\C=C\c6ccccc6)cccc5,0.0
19040,CO-ADD:0320123,9.3,c1(C(=O)OC(=N2)c(cc3)ccc3C(F)(F)F)c2c4c(ccc(Cl)c4)o1,0.0
19041,CO-ADD:0319844,9.3,[nH]1c(cccc2)c2c(CCNC(=O)c(ccc(c3Cl)Cl)c3)c1C,0.0
19042,CO-ADD:0320524,9.3,[nH]1c(cccc2)c2c(CCNC(=O)c3ccc(cc3)C)c1C,0.0
19043,CO-ADD:0319884,9.3,c1(N(CC2)CCN2c3cccc(Cl)c3)nc(OCC(F)(F)F)nc(Nc(cc4)ccc4OC(Cl)(F)F)n1,0.0
19044,CO-ADD:0321534,9.3,S(=O)(=O)(N(CC1)CCO1)c(ccc(c23)CCN2C(C)=O)c3,0.0
19045,CO-ADD:0321488,9.3,C(/N1)(=C/C(OCC)=O)\C2(CC1(C)C)C=CC(C(C)=C2)=O,0.0
19046,CO-ADD:0321552,9.3,C(=O)(CCCl)NCC1OCCc(cccc2)c12,0.0
19047,CO-ADD:0319250,9.3,N1C(c2ccc(cc2)OCc3cccc(F)c3)SCC1C(O)=O,0.0
19048,CO-ADD:0321307,9.3,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OCC)OCCOc4ccccc4C)c3)\C2=N,0.0
19049,CO-ADD:0324422,9.3,N1(CC(NCCc(ccc(c2OCC)OCC)c2)=O)C(=O)c3c(cccc3)C1=O,0.0
19050,CO-ADD:0321187,9.3,C(C(OCC)=O)(Sc1ccc(c(C)c1C)O)(C(F)(F)F)C(F)(F)F,0.0
19051,CO-ADD:0319118,9.3,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc(cc4)ccc4NC(=O)c5ccccc5Cl,0.0
19052,CO-ADD:0320370,9.3,[nH]1c(cccc2)c2c(CCNC(=O)c3ccc(cc3)F)c1C,0.0
19053,CO-ADD:0319389,9.3,c1(NCc(ccc2c3ccc(cc3)Br)o2)[nH]c(c4n1)cccc4,0.0
19054,CO-ADD:0320649,9.3,n1c(N)n[nH]c1CC(=O)N(C)C2(CCCCC2)C(=O)Nc(cc3)ccc3OC,0.0
19055,CO-ADD:0324882,9.3,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(cc3)ccc3OCCOc4ccccc4)\C1=N,0.0
19056,CO-ADD:0311668,9.3,N1(c2ccc(cc2)Br)C(=O)\C(\SC1=N)=C\c(cc3)ccc3N(CC4)CCO4,0.0
19057,CO-ADD:0311411,9.3,S(=O)(=O)(c1ccc(c(Cl)c1)C)N(CC2)CCN2C,0.0
19058,CO-ADD:0307524,9.3,C1(C)(C)C(=O)C(C)C(OC1=O)c2ccc(c(OC)c2)OC,0.0
19059,CO-ADD:0311194,9.3,n(Cc(ccc(c12)cccc1)c2)(c3c(n4)cccc3)c4,0.0
19060,CO-ADD:0306789,9.29,C(C(=O)OCc(cc1)ccc1OC)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
19061,CO-ADD:0310967,9.29,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)Cl)Nc2sc(c(C)c2C(OCC)=O)c3ccccc3,0.0
19062,CO-ADD:0307175,9.29,N1(C(CC2(C)C)CC(N2)(C)C)C(=O)OC(C)(C3CC(CC34)C=C4)C1(C)O,0.0
19063,CO-ADD:0305843,9.29,c1(NC(=O)c(cccc2[N+](=O)[O-])c2C)sc(c3c1C(N)=O)CCCC3,0.0
19064,CO-ADD:0312243,9.29,N1(c(cc2)ccc2C(OCC)=O)C(c(cc3)ccc3C(OC)=O)C(C1=O)Oc4ccccc4,0.0
19065,CO-ADD:0310820,9.29,c1(C(=O)N(CC2)CCO2)sc3c(c(C)cc(C)n3)c1N,0.0
19066,CO-ADD:0311667,9.29,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(ccc(c34)OCO3)c4)n2)Cc(cc5)ccc5F,0.0
19067,CO-ADD:0302853,9.29,c1(c(ccc(c1)C(F)(F)F)Oc(cccn2)c2)[N+](=O)[O-],0.0
19068,CO-ADD:0302524,9.29,c1(C(OCC)=O)c(C=O)[nH]c(C(OCC)=O)c1C,0.0
19069,CO-ADD:0302896,9.29,C(OC1)(OCC1(CO)[N+](=O)[O-])(c2c(N3CN4CCCC(C)C4)cccc2)C3=O,0.0
19070,CO-ADD:0303476,9.29,N(C1=O)=C(SCCOc(ccc(c2C)C)c2)NC(c3ccccc3)=C1,0.0
19071,CO-ADD:0303756,9.29,S(=O)(=O)(N1CCC(CC1)c2ccccc2)c3ccc(c(cccc4)c34)OC,0.0
19072,CO-ADD:0301935,9.29,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)c3ccccn3,0.0
19073,CO-ADD:0306084,9.29,n1(C)cnnc1SCC(=O)Nc(cc2)ccc2C,0.0
19074,CO-ADD:0311319,9.29,S(=O)(=O)(N(CC1)CCN1c2ccc(cc2)F)c3c(Br)ccc(Br)c3,0.0
19075,CO-ADD:0307504,9.29,c1(NC(=O)c2ccc(cc2)F)sc(c(CCN3C(C)=O)c1C(OCC)=O)C3,0.0
19076,CO-ADD:0307496,9.29,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cc(OC)c(cc4Br)OC,0.0
19077,CO-ADD:0312374,9.29,C1(C(OCCOCC)=O)=C(C)NC(=O)CC1c2ccccc2Cl,0.0
19078,CO-ADD:0311543,9.29,C12(OC(C(O)=C1C(c3ccccc3)=O)=O)C(=O)NC(NC2=O)=O,0.0
19079,CO-ADD:0310931,9.29,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCN2C(=O)c3cccc(C)c3,0.0
19080,CO-ADD:0311374,9.29,C(C(OC)=O)(Nc1ccc(cn1)C)(C(F)(F)F)NC(=O)c2ccc(cc2)Cl,0.0
19081,CO-ADD:0311338,9.29,S(=O)(=O)(N(CC1)CCN1Cc2ccccc2)c3c(C)cc(c(C)c3)Br,0.0
19082,CO-ADD:0307170,9.29,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Nc(cc3)ccc3OC(F)(F)F)n1c4ccc(cc4)OC(F)(F)F,0.0
19083,CO-ADD:0320389,9.29,N1(CCCN(CC2)CCO2)C(=O)c3c(NC1=O)cccc3,0.0
19084,CO-ADD:0323417,9.29,c1(N(CC2)CCO2)nc(COc3ccc(cc3Cl)F)nc(N)n1,0.0
19085,CO-ADD:0321470,9.29,c(C(F)(F)F)(c(Cl)c1Cl)c(Cl)nc1Nc2ccccc2,0.0
19086,CO-ADD:0320511,9.29,N1(Cc(ccc(c23)OCO2)c3)\C(=N/c(cccc4C(F)(F)F)c4)\SC(C(=O)Nc(cc5)ccc5OC(F)(Cl)F)CC1=O,0.0
19087,CO-ADD:0323905,9.29,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5C(N)=O)c2,0.0
19088,CO-ADD:0320991,9.29,N1(c(cc2)ccc2C(O)=O)C(=O)NC(\C(=C/c3ccc(C)o3)\C1=O)=O,0.0
19089,CO-ADD:0323193,9.29,N1(c2cccc(Cl)c2)C(=O)CC(N(CC(C3)(C4)CC(C5)CC3CC45)C(C)=O)C1=O,0.0
19090,CO-ADD:0323718,9.28,N12C(S\C(=C\c(ccc3c4ccc(cc4C(O)=O)Cl)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
19091,CO-ADD:0320995,9.28,N(\C(=C/c1cc2c(nc1N(CC3)CCO3)ccc(C)c2)\C(O4)=O)=C4c5ccccc5,0.0
19092,CO-ADD:0323975,9.28,S(=O)(=O)(c1ccc(c(OC)c1)OC)NC(CC2(C)C)CC(N2)(C)C,0.0
19093,CO-ADD:0319154,9.28,c1(NC(COc(cccc2C(F)(F)F)c2)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
19094,CO-ADD:0319170,9.28,N1(C(C)(C)CC(CC1(C)C)=O)OC(=O)c2ccco2,0.0
19095,CO-ADD:0319210,9.28,c1(scc(c2ccccc2)c1C(OCC)=O)NC(=O)c(cc3)cc(c3[N+](=O)[O-])C,0.0
19096,CO-ADD:0319866,9.28,c1(nnc(Br)s1)NC(=O)c2ccco2,0.0
19097,CO-ADD:0324630,9.28,c12c(c3c(cccc3)nc1C)C(N(C)C2=O)=O,0.0
19098,CO-ADD:0324135,9.28,S(=O)(=O)(c1ccc(cc1)OCC)NCc(cc2)ccn2,0.0
19099,CO-ADD:0324871,9.28,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c3cccc(OCCOc(ccc(c4C)C)c4)c3)\C2=N,0.0
19100,CO-ADD:0324879,9.28,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc3c4ccccc4Cl)o3)\C1=N,0.0
19101,CO-ADD:0305832,9.28,c1(NC(=O)c2ccc(c(OC)c2)OCc3ccccc3Cl)sc(c4c1C(N)=O)CCCC4,0.0
19102,CO-ADD:0306211,9.28,n1(C)c2c(c(CCN)c1C)cccc2.Cl,0.0
19103,CO-ADD:0305411,9.28,C(=C\c(cc(OC)c(c1[N+](=O)[O-])O)c1)(/C(=O)NC(N2C)=O)\C2=O,0.0
19104,CO-ADD:0305780,9.28,c1(NC(COc(cc2)ccc2F)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
19105,CO-ADD:0307559,9.28,c(c(C)nc(c1C#N)Cl)(c1C)[N+](=O)[O-],0.0
19106,CO-ADD:0305756,9.28,c1(N(CC2)CCN2c3ccc(cc3)OC)nc(Cl)nc(Nc(ccc(c4Cl)OC)c4)n1,0.0
19107,CO-ADD:0301967,9.28,n1nc(c2n1CNc3nonc3C(OC)=O)cccc2,0.0
19108,CO-ADD:0303032,9.28,c1(c2c([nH]c1)cccc2)c3csc(c4ccccc4)n3,0.0
19109,CO-ADD:0303272,9.28,S(C)(=O)(=O)N(CC1)CCN1c2ccc(cc2[N+](=O)[O-])Cl,0.0
19110,CO-ADD:0304063,9.28,C(=C/c(cc1)ccc1O)(/C2=O)\c3c(O2)ccc4c3OC(=O)C=C4C,0.0
19111,CO-ADD:0302996,9.28,N1(CCc(cc2)ccc2F)C(=O)\C(=C\Nc3ccccc3Cl)\C(NC1=O)=O,0.0
19112,CO-ADD:0301837,9.28,c1(C(=O)Nc2ccccc2OCC)c3c(sc1NC(=O)c4ccc(cc4)C)CC(C)CC3,0.0
19113,CO-ADD:0304814,9.28,C(=N/c(cc1)ccc1OC)(/SC(C(=O)N(CC2)CCN2c3ccc(cc3)OC)CC4=O)\N4C,0.0
19114,CO-ADD:0305288,9.28,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)OC)c24,0.0
19115,CO-ADD:0305363,9.27,N1(c(cc2)ccc2C(=O)N(CCC)CCC)C(=O)C3C(C4CC3C=C4)C1=O,0.0
19116,CO-ADD:0305155,9.27,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2ccccc2Cl,0.0
19117,CO-ADD:0302783,9.27,c12c(n(c(Cl)n1)CC#C)C(N(C)C(=O)N2C)=O,0.0
19118,CO-ADD:0302411,9.27,S(=O)(=O)(N1CCCCC1)c(ccc2c3sc(n2)C)c3,0.0
19119,CO-ADD:0301279,9.27,n1c(C)nc(c2c1SCCOc(cc3)ccc3OC)cccc2,0.0
19120,CO-ADD:0302633,9.27,N1(c2cccc(OC)c2)C(\C=C\c(cc3)ccc3O)=Nc(c4C1=O)cccc4,0.0
19121,CO-ADD:0304185,9.27,C12=C(c3c(cccc3)OC1=O)Nc4c(cccc4)S2,0.0
19122,CO-ADD:0304162,9.27,C1(C(=O)OC(C)CC)=C(C)NC(NC1c(cc(OCC)c(c2[N+](=O)[O-])O)c2)=O,0.0
19123,CO-ADD:0311761,9.27,N1(Cc2ccccc2)\C(=N/c(cc3)ccc3F)\SC(C(=O)Nc(cc4)ccc4C(O)=O)CC1=O,0.0
19124,CO-ADD:0311375,9.27,C(C(OC)=O)(Nc1ccc(cn1)Cl)(C(F)(F)F)NC(=O)c2ccco2,0.0
19125,CO-ADD:0311720,9.27,c1(C(O)=O)cc(ccc1Sc(cc2)ccc2Cl)[N+](=O)[O-],0.0
19126,CO-ADD:0311718,9.27,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(NCCOc(cc4)ccc4Cl)=O)c1C)cc(OC)cc3,0.0
19127,CO-ADD:0312343,9.27,N(Cc1ccc(cc1F)Cl)(C2=O)C(=O)N(c3c2n(C)cn3)C,0.0
19128,CO-ADD:0311111,9.27,N(\C(=C\c(ccc(c1OC)OCc2ccccc2)c1)\C(O3)=O)=C3c4ccc(cc4)F,0.0
19129,CO-ADD:0305487,9.27,c1(C2=O)c(scc1c3ccc(cc3)OC)N=C(SCC(NCCOc4ccccc4)=O)N2c5ccccc5,0.0
19130,CO-ADD:0312122,9.27,n12c(nnc1CC(OCC)=O)c(nc(non3)c23)Nc(cc4)ccc4Cl,0.0
19131,CO-ADD:0312111,9.27,n1(nc(n2)NC(=O)c3ccccc3F)c2nc(C)c(CC)c1O,0.0
19132,CO-ADD:0311150,9.27,C(=C\c1ccccc1)(/NC(c2ccccc2)=O)\C(=O)N(CC3)CCC3C(N)=O,0.0
19133,CO-ADD:0307585,9.27,C(/C#N)(=C/c1ccc(C)o1)\C(=O)Nc2cccc(Cl)c2Cl,0.0
19134,CO-ADD:0311756,9.27,c1(nc(OCC(F)(F)F)nc(Nc(cc2)ccc2OC(F)(Cl)F)n1)n3c(C)cc(C)n3,0.0
19135,CO-ADD:0320266,9.27,c1(sc(c23)nc(c(Cl)c2C)C)c3N=NNC1=O,0.0
19136,CO-ADD:0320280,9.27,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2S(=O)(=O)Nc3sccn3)nnc1c4cccs4,0.0
19137,CO-ADD:0320237,9.27,c1(C(O)=O)c(Cl)nc(c(Cl)c1NC(C)C)Cl,0.0
19138,CO-ADD:0321472,9.27,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3OC,0.0
19139,CO-ADD:0323106,9.27,N(CC1)(CCN1CC(=O)Nc(ccc(c2Br)C)c2)c3ccc(cc3)Cl,0.0
19140,CO-ADD:0323922,9.27,[N+](=O)([O-])c(cc1)cc(c1C(=O)NCc2ccccc2)SCC,0.0
19141,CO-ADD:0323170,9.27,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(c4ccc(cc4)Cl)cc(n1)C(F)(F)F,0.0
19142,CO-ADD:0323242,9.27,c1(C#N)c(COC)cc(nc1SCCN(C)C)C,0.0
19143,CO-ADD:0323554,9.27,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3S(=O)(=O)c4ccc(cc4)NC(C)=O,0.0
19144,CO-ADD:0323134,9.27,c1(C(=O)Nc(cc2)ccc2Cl)c(Cl)c(Cl)c(nc1Cl)Cl,0.0
19145,CO-ADD:0319094,9.27,[N+](=O)([O-])c(cc(cc1C(NCCOc(cc2)ccc2C)=O)C(NCCOc(cc3)ccc3C)=O)c1,0.0
19146,CO-ADD:0307268,9.27,C1(c(cccn2)c2)OC(CC)(CC)c3c(cccc3)N1,0.0
19147,CO-ADD:0311989,9.26,C(=O)(NN(c1ccccc1)C(=O)c2ccc(Br)o2)C(O)(c3ccccc3C)c4ccccc4C,0.0
19148,CO-ADD:0306846,9.26,c1(c2ccccc2F)nnn(CC(O)=O)n1,0.0
19149,CO-ADD:0306313,9.26,N1(CC)C(=O)\C(\SC1=S)=C\c(cccc2OC(F)(F)C(F)F)c2,0.0
19150,CO-ADD:0312498,9.26,C1c(c2[C@@H](C(=O)O)[C@H](C13)C(=O)N(C3)c4ccccc4)cco2,0.0
19151,CO-ADD:0312520,9.26,c1(ccc(c2ccccc2)cc1)S(N3C[C@](O[C@@]4(C)C5)(C=C4)[C@@H]5C3)(=O)=O,0.0
19152,CO-ADD:0318959,9.26,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCO)c4ccc(cc4)OC,0.0
19153,CO-ADD:0321113,9.26,c1(NC(=O)c2ccccc2OCC)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
19154,CO-ADD:0319016,9.26,C(=N/c1ccccc1)(/SC(C(=O)Nc2ccc(cc2C)C)CC3=O)\N3CCc(ccc(c4OC)OC)c4,0.0
19155,CO-ADD:0321169,9.26,C(/Oc(c1c2)ccc2C(C)(C)C)(\S1)=C(\C(OC)=O)/C(F)(F)F,0.0
19156,CO-ADD:0324591,9.26,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c3c1C(N)=O)CCCCCC3,0.0
19157,CO-ADD:0324568,9.26,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCCOC(CC3CC4CC5C3)(C5)C4,0.0
19158,CO-ADD:0311027,9.26,C1(NC(CCC1[N+](=O)[O-])=O)c2cc(OC)ccc2OC,0.0
19159,CO-ADD:0302076,9.26,c1(C(O)=O)cc(OC)c(cc1NC(COc(cc2)ccc2C3CCCCC3)=O)OC,0.0
19160,CO-ADD:0303762,9.26,c1(NC(=O)\C(\C#N)=C/c(ccc2c3ccc(cc3)Cl)o2)sc(c4c1C(OCC)=O)CCCC4,0.0
19161,CO-ADD:0304178,9.26,c(C(c1ccccc1)=O)(c(CC)c(c2c3C)cc4c3OC(C=C4C)=O)o2,0.0
19162,CO-ADD:0302963,9.26,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(NCCSc4ccccc4)=O)c1C)cc(OC)cc3,0.0
19163,CO-ADD:0305148,9.26,N1(c(cc2)ccc2C(OCC)=O)C(=O)\C(\SC1=N)=C/C3=Cc(cccc4)c4NC3=O,0.0
19164,CO-ADD:0300594,9.26,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4ccc(c(F)c4)F,0.0
19165,CO-ADD:0303559,9.26,C1(C#N)=C(SCC(=O)Nc2ccccc2C)NC(=O)CC1c3sccc3C,0.0
19166,CO-ADD:0301752,9.26,C(/C(C)CCC1C(C)C)(=C\c(cc2)ccc2OC)\C1=O,0.0
19167,CO-ADD:0301278,9.26,c1(SCCOc(ccc(c2C)C)c2)n(CC)c3c(cccc3)n1,0.0
19168,CO-ADD:0301272,9.26,c(c(O)[nH]n1)c1c(ccc(c23)OCO2)c3,0.0
19169,CO-ADD:0301264,9.26,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc(c3OCC)OCCN(CC4)CCO4)c3,0.0
19170,CO-ADD:0304298,9.26,n(C(c1ccccc1)C=C(N2)c3ccc(cc3)OC)(nnn4)c24,0.0
19171,CO-ADD:0306340,9.26,C(=C/c(cc1)ccc1N(C)C)(/C(=O)NN2c3ccc(c(Cl)c3)F)\C2=O,0.0
19172,CO-ADD:0305596,9.26,c1(C(=O)N(C)C)c(C)c(Cl)c(nc1Cl)C,0.0
19173,CO-ADD:0307165,9.26,n(c(NCC=C)nc(n1)Cl)c1NCC=C,0.0
19174,CO-ADD:0312233,9.26,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(cc3)Cl,0.0
19175,CO-ADD:0310826,9.26,N(CC1)(CCN1c2ccc(cc2F)C(C)=O)C(CCC)=O,0.0
19176,CO-ADD:0305558,9.26,c1(Nc2ccccc2[N+](=O)[O-])sc(c3c1C#N)CCCC3,0.0
19177,CO-ADD:0312026,9.26,c1(C#N)c(c2ccc(cc2)F)cc(nc1N)c3ccc(C)o3,0.0
19178,CO-ADD:0312655,9.25,C1=C[C@]2(C)O[C@@]13[C@@]([C@]24[H])([H])[C@]([C@H](C(C([C@@H]5C)=O)C)N([Ac])[C@H]35)(C(=C6C(OC)=O)C(OC)=O)O[C@@]46C,0.0
19179,CO-ADD:0311076,9.25,n(ccc(c1)C)(c2)c1cc2c3ccc(cc3)F,0.0
19180,CO-ADD:0320306,9.25,c1(c(C)nn2c3ccc(cc3)F)c2CC(C)(C)CC1=O,0.0
19181,CO-ADD:0323435,9.25,n1(c2c(C)cc(cc2C)C)nnnc1SCC(NCCc(ccc(c3OCC)OCC)c3)=O,0.0
19182,CO-ADD:0320246,9.25,C1(=O)N(c2cccc(Cl)c2)C(C)=CC(C)=C1C#N,0.0
19183,CO-ADD:0321456,9.25,N1(CCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)C(C)(O)C(OC1=O)(C)CC,0.0
19184,CO-ADD:0320856,9.25,C(=N/c1ccccc1)(/SC(CC2=O)C(=O)Nc(cc3)ccc3C(O)=O)\N2,0.0
19185,CO-ADD:0323228,9.25,c(C#N)(c(SCC(=O)N(CC)CC)nc(c1C#N)N)c1CC(C)C,0.0
19186,CO-ADD:0323216,9.25,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCN(CC3)CCN3C(=O)C45CC(CC6C4)CC(C6)C5,0.0
19187,CO-ADD:0321059,9.25,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C(=O)c(cc4)ccc4C(C)(C)C,0.0
19188,CO-ADD:0324031,9.25,c1(ccccc1NC(=O)c(cc2)ccc2C(C)(C)C)C(=O)NCc(cccn3)c3,0.0
19189,CO-ADD:0323204,9.25,C12(SC=C(C(OCC)=O)S1)C(C(OCC)=O)=CSC(C(Nc3c4cccc3OCC)(C)C)=C24,0.0
19190,CO-ADD:0319175,9.25,n1(N)c(c2ccccc2)nnc1c3ccccc3,0.0
19191,CO-ADD:0319200,9.25,c1(NC(COc2ccccc2C)=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
19192,CO-ADD:0319224,9.25,c1(NC(=O)C(C)Oc(cc2)ccc2F)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
19193,CO-ADD:0321038,9.25,C12C(NN=C1C(=O)c3c(Cl)ccc(Cl)n3)C(N(CC)C2=O)=O,0.0
19194,CO-ADD:0319163,9.25,N1(C(C)c2ccccc2)C(=O)c(c3C1(O)Cc4ccccc4)cccc3,0.0
19195,CO-ADD:0324872,9.25,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c3ccccc3OCCOc4ccccc4CC=C)\C2=N,0.0
19196,CO-ADD:0324584,9.25,c1(c2cccc1C(O)=O)oc(n2)C,0.0
19197,CO-ADD:0323741,9.25,N1(Cc2c(CC1C(=O)N(CC3)CCO3)cccc2)S(=O)(=O)c4ccc(cc4)C,0.0
19198,CO-ADD:0323626,9.25,C(C(C)=O)(C1c2ccc(cc2)Br)=C(O)C(N1CC(N)=O)=O,0.0
19199,CO-ADD:0323707,9.25,c12c(C(N(C)C(=O)N1C)=O)n(c3n2)CC(=NN3CCO)C45CC6CC(CC(C6)C4)C5,0.0
19200,CO-ADD:0320103,9.25,N(c1c(cccc1)NC(CC(c(cc2)ccc2C(C)(C)C)CC3=O)=C34)(C(=O)c(cc5OC)cc(c5OC)OC)C4c6ccc(cc6)F,0.0
19201,CO-ADD:0319826,9.25,c(c1C)(c(C)[nH]n1)NC(=O)c(cc2)ccc2c3ccccc3,0.0
19202,CO-ADD:0307215,9.25,C1(C2c3ccccc3OC(=O)N(CC4)CCO4)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
19203,CO-ADD:0311361,9.25,N1(c2ccccc2)C(=O)C(CCCCCC)=C(N=C1SCCN(C)C)O.Cl,0.0
19204,CO-ADD:0312387,9.25,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(ccs4)c4,0.0
19205,CO-ADD:0311531,9.24,n1(\N=C\c(ccc(c2O)OC)c2)c(S)nnc1C(F)(F)F,0.0
19206,CO-ADD:0311544,9.24,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Cl)=C(O)C(N2CCc(cc4)ccc4O)=O,0.0
19207,CO-ADD:0311586,9.24,n(CC(=O)NCC1CCCO1)(c2c(c3C#N)cccc2)c3,0.0
19208,CO-ADD:0303217,9.24,c1(NC(=O)c2cccc(C)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
19209,CO-ADD:0302566,9.24,C1(C(=O)OC2CCCC2)=C(C)NC(=C3C1c(cc4OC)cc(c4O)OC)CCCC3=O,0.0
19210,CO-ADD:0303534,9.24,C(C(OC)=O)(=CN(Cc(cc1)ccc1OC)C=C2C(OC)=O)C2c3ccc(cc3)OC(F)(F)F,0.0
19211,CO-ADD:0301781,9.24,c1(SCC(=O)Nc(cc2)ccc2OC(F)(F)F)[nH]c(c3n1)cccc3,0.0
19212,CO-ADD:0303273,9.24,C(=O)(N(CC1)CCN1c(cc2)c(Cl)cc2[N+](=O)[O-])c3ccccc3F,0.0
19213,CO-ADD:0302662,9.24,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Nc(cccc3C(F)(F)F)c3)n1c(cccc4C(F)(F)F)c4,0.0
19214,CO-ADD:0305050,9.24,c1([nH]c(c2n1)cccc2)\C(\c3ccccc3)=C\c4cc(Cl)cc(Cl)c4O,0.0
19215,CO-ADD:0304224,9.24,n1(N)c(SCc2cccc(Br)c2)nnc1c3ccccc3,0.0
19216,CO-ADD:0301702,9.24,S(=O)(=O)(Oc1ccc(cc1OC)\C=C(\C2=O)/C(=O)NC(=O)N2)c3ccccc3[N+](=O)[O-],0.0
19217,CO-ADD:0302166,9.24,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc5)ccc5c6ccccc6)cccc4,0.0
19218,CO-ADD:0302535,9.24,C(CNc1ccccc1)(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
19219,CO-ADD:0304262,9.24,S1C(C)(CC(=O)Nc2ccc(cc2OC)OC)NN=C1c3ccccc3,0.0
19220,CO-ADD:0304239,9.24,C(NCCOc1ccccc1)(=O)c(cc2)ccc2C(C)=O,0.0
19221,CO-ADD:0305582,9.24,C(c1ccccc1)(=O)Oc2cccc(c2)C=O,0.0
19222,CO-ADD:0307344,9.24,C1(NC(NCCCN(CC)CC)=S)=C(C)N(N(c2ccccc2)C1=O)C,0.0
19223,CO-ADD:0307337,9.24,n1(CC)c(c2ccccc2)nnc1Sc(c(C)c3c(n4)cc(OCO5)c5c3)c4O,0.0
19224,CO-ADD:0310791,9.24,C(/c(cccc1)c1CC2(C)C)(\N2)=C\[N+](=O)[O-],0.0
19225,CO-ADD:0307362,9.24,n1(c2ccc(cc2)NC(CCl)=O)cnnn1,0.0
19226,CO-ADD:0311954,9.24,C(NC(C)=O)(C(=O)c(cccc1)c1C2=O)=C2N(CC3)CCN3c4ccc(cc4)F,0.0
19227,CO-ADD:0305701,9.24,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCCCC)C2c3cccs3,0.0
19228,CO-ADD:0311799,9.24,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3ccc(cc3F)C(CCC)=O,0.0
19229,CO-ADD:0312027,9.24,c1(C#N)c(c2ccc(cc2)F)cc(nc1N)C3CC3,0.0
19230,CO-ADD:0306261,9.24,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cc(OC)ccc4OC,0.0
19231,CO-ADD:0323443,9.24,S(=O)(=O)(CC(C12)CC(N1c3ccc(cc3)Oc4ccccc4)=O)C2,0.0
19232,CO-ADD:0321061,9.24,C(C(OC)=O)(=CN(CC(C1)(CC(CC12)CC3C2)C3)C=C4C(OC)=O)C4c(ccc(c56)OCO5)c6,0.0
19233,CO-ADD:0323162,9.23,c1(C2OCCS2)c3c(n(c4ccccc4)n1)cc(cc3Sc(cc5)ccc5Cl)[N+](=O)[O-],0.0
19234,CO-ADD:0323977,9.23,S(=O)(=O)(NC(CC1(C)C)CC(N1)(C)C)c2c(C)cc(c(OC)c2)C,0.0
19235,CO-ADD:0324746,9.23,n1c(N)n[nH]c1CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc(cc4)ccc4OC,0.0
19236,CO-ADD:0323859,9.23,S(=O)(=O)(N(CC1)CCN1C23CC(CC4C2)CC(C4)C3)c5c(C)cc(cc5C)C,0.0
19237,CO-ADD:0323355,9.23,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(ccc(c5Cl)Cl)c5)c2,0.0
19238,CO-ADD:0324788,9.23,c(OC(C(F)(F)F)C(F)(F)F)(nc(OC)nc1Nc(cc2)ccc2N)n1,0.0
19239,CO-ADD:0323285,9.23,C(=O)(Nc(c(OCC)c1)cc(c1NC(c2ccccc2)=O)OCC)C(C(F)(F)F)C(F)(F)F,0.0
19240,CO-ADD:0324454,9.23,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2c(C)c(C)cc(C)c2C,0.0
19241,CO-ADD:0321433,9.23,c1(cc(ccc1N(CC2)CCN2C(=S)Nc(c(Cl)ccc3C(F)(F)F)c3)C(F)(F)F)[N+](=O)[O-],0.0
19242,CO-ADD:0321331,9.23,S1(=O)(=O)C(COc(ccc(CC)c2)c12)C(F)(F)F,0.0
19243,CO-ADD:0324835,9.23,N1(N=C(S2)CCCCCCC)C2=NC(=O)\C(=C/c3cc(OC)ccc3OC)\C1=N,0.0
19244,CO-ADD:0320292,9.23,c1(C2OCCO2)noc(cc(cc3OC)[N+](=O)[O-])c13,0.0
19245,CO-ADD:0318785,9.23,c1(NC(=O)C2CC2c3ccccc3)sc(c4c1C(OC)=O)CCCC4,0.0
19246,CO-ADD:0318874,9.23,n1(N)c(CSc2nnc(N)s2)nnc1CSc3nnc(N)s3,0.0
19247,CO-ADD:0320475,9.23,C(CSCC(=O)c1ccc(cc1)F)(=O)Nc(ccc(c23)cccc2)c3,0.0
19248,CO-ADD:0318938,9.23,c1(C(=O)C2CC2)oc(c3c1NC(=O)c(cc4)ccc4C(F)(F)F)ccc(Br)c3,0.0
19249,CO-ADD:0318818,9.23,c1(NC(C2CCCC2)=O)sc(c3c1C(OC)=O)CCCC3,0.0
19250,CO-ADD:0319723,9.23,c12c(ccc(C(=O)Nc3ccccc3)c1SCC)C(=O)c(c4C2=O)cccc4,0.0
19251,CO-ADD:0303127,9.23,c1(C(=O)OC(C)C)c(C)c(sc1NC(=O)c2ccnn2C)C(=O)N(CC)CC,0.0
19252,CO-ADD:0303228,9.23,C1(C(OCCOC)=O)=C(C)NC(=O)CC1c2cccc(Cl)c2Cl,0.0
19253,CO-ADD:0304642,9.23,c1(Nc(cc2)ccc2[N+](=O)[O-])nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
19254,CO-ADD:0304989,9.23,C1(c2ccc(cc2)Br)=CC(OC(c3ccccc3)O1)=O,0.0
19255,CO-ADD:0303640,9.23,N1(c2cccc(cccc3)c23)C(C)=CC(NC1=S)(C)C,0.0
19256,CO-ADD:0303950,9.23,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3ccccc3F,0.0
19257,CO-ADD:0303952,9.23,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c3cccc(OC)c3,0.0
19258,CO-ADD:0303891,9.23,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c5ccc(cc5)Br,0.0
19259,CO-ADD:0303884,9.22,c1(ccc(c2)Cl)c2nccc1Nc(cc3)ccc3OC(F)(Cl)F,0.0
19260,CO-ADD:0302141,9.22,c12c(ccc(OC(C)=O)c1)N=C(OC2=O)COc(cc3)ccc3C4CCCCC4,0.0
19261,CO-ADD:0311969,9.22,c1(cc(oc1C)CC(C)C)C(=O)Nc(cc2)ccc2OC,0.0
19262,CO-ADD:0305507,9.22,c1(cc(C)c(cc1N2CCCC2)N)[N+](=O)[O-],0.0
19263,CO-ADD:0311196,9.22,C(/C#N)(\C(OCCCC)=O)=C/c(ccc1c(cccc2[N+](=O)[O-])c2)o1,0.0
19264,CO-ADD:0311263,9.22,C1(c2ccccc2I)=N\C(\C(=O)O1)=C/c3ccco3,0.0
19265,CO-ADD:0305777,9.22,[N+]1(CCc2ccccc2)=NO\C(=N\C(=O)Nc(ccc(c3Cl)Cl)c3)\[CH-]1,0.0
19266,CO-ADD:0306781,9.22,C(C(=O)OCc(cc1)ccc1OC)(=C(C)NC(=C23)CCCC2=O)C3c4cccc(C)c4,0.0
19267,CO-ADD:0306121,9.22,c1(ccc(cc1F)C(CC)=O)N2CCCCC2,0.0
19268,CO-ADD:0307158,9.22,n(c1c2ccc(cc2)F)n(C(C)=O)cc1\C=C(\S\C(\N3)=N\C(C)=O)/C3=O,0.0
19269,CO-ADD:0311853,9.22,N1(C(C)C)C(=O)\C(\SC1=S)=C\c(cc2)ccc2OCc3ccccc3F,0.0
19270,CO-ADD:0306793,9.22,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(c3)OCc4ccccc4,0.0
19271,CO-ADD:0307442,9.22,C1(=O)N(c2cccc(F)c2)C(C)=CC(C)=C1C(O)=O,0.0
19272,CO-ADD:0307434,9.22,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C/c3cccc(I)c3,0.0
19273,CO-ADD:0323100,9.22,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCN3c4ccc(cc4)OC)OC,0.0
19274,CO-ADD:0323292,9.22,C1(C(OCCSCC)=O)=C(C)NC(NC1c(ccc(c2[N+](=O)[O-])C)c2)=O,0.0
19275,CO-ADD:0321232,9.22,c(C(OCC)=O)(c1Cl)nc(c(Cl)c1Nc(cc2)ccc2N(CC)CC)Cl,0.0
19276,CO-ADD:0324787,9.22,n1c(N(CC2)CCN2C)nc(nc1N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)Nc(cc7)ccc7OC(F)(Cl)F,0.0
19277,CO-ADD:0324795,9.22,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc4cccc(Cl)c4)[N+](=O)[O-])c13)cccc2,0.0
19278,CO-ADD:0323284,9.22,C(=O)(Nc(cccc1C(=O)Nc2cccc(Cl)c2)c1)C(C(F)(F)F)C(F)(F)F,0.0
19279,CO-ADD:0324304,9.22,n1(c2ccccc2F)nnnc1SCC(=O)Nc(c(C(N)=O)nn3c4ccccc4)n3,0.0
19280,CO-ADD:0319408,9.22,N1(CCNC(=O)c2ccnn2C)C(C)(O)C3(OC1=O)CCCCC3,0.0
19281,CO-ADD:0319123,9.21,c1(c2ccco2)nnc(SCC(=O)N(C)C)o1,0.0
19282,CO-ADD:0319564,9.21,n(c1c2ccc(cc2)F)n(C(CC)=O)cc1\C=C(/S\C(\N3)=N\C(CC)=O)\C3=O,0.0
19283,CO-ADD:0319557,9.21,n1(c(cccc2C)c2n3)c3S\C(=C/c(cn(n4)C(C)=O)c4c5ccc(cc5)F)\C1=O,0.0
19284,CO-ADD:0320066,9.21,C(c1ccc(c2n1)cccc2)(C(C[N+](=O)[O-])c3c(N4CC(c5ccccc5)=O)cccc3)=C4,0.0
19285,CO-ADD:0306020,9.21,c1(c(C)nn(c2ccccc2)c1O)C3Nc(cccc4)c4C(=O)N3CCc5ccccc5,0.0
19286,CO-ADD:0306012,9.21,N1(c2ccc(cc2)C)\C(=N/N=C(\C)/c3ccccc3)\SC(CC)C1=O,0.0
19287,CO-ADD:0305902,9.21,c([N+](=O)[O-])(nn(c1C(=O)NCc(ccc(c23)OCO2)c3)Cc4ccccc4)c1,0.0
19288,CO-ADD:0305886,9.21,c1(NC(COc2cccc(Br)c2)=O)sc(c(C)c1C(OC)=O)C,0.0
19289,CO-ADD:0305880,9.21,c1(NC(=O)c2ccc(Br)o2)sc(c(C)c1C(OCC)=O)C,0.0
19290,CO-ADD:0312011,9.21,C1(=Cc(cccc2OC)c2OC1=O)C(=O)N(CC3)CCN3C\C=C\c4ccccc4,0.0
19291,CO-ADD:0303840,9.21,C(=O)(Nc(cc1)ccc1C(C)(C)C)C(NCC=C)=O,0.0
19292,CO-ADD:0303947,9.21,C(C(OCC)=O)(=CN(c1ccc(cc1)F)C=C2C(OCC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
19293,CO-ADD:0303918,9.21,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(O)c4)OC,0.0
19294,CO-ADD:0303893,9.21,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c5ccc(cc5)OC,0.0
19295,CO-ADD:0305020,9.21,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3ccc(cc3C)C)C2c4ccco4,0.0
19296,CO-ADD:0304935,9.21,c1(N(CC2)CCO2)nc(Nc3ccccc3)nc(Nc4ccccc4)n1,0.0
19297,CO-ADD:0303117,9.21,C(NC(CC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c(CC)c1C#N)C,0.0
19298,CO-ADD:0304103,9.21,c1(C#N)c(N)nc(cc1c2cccs2)c3ccc(cc3)C,0.0
19299,CO-ADD:0301863,9.21,c1(NC(CSc2ncccn2)=O)n(c3ccccc3)ncc1C(OCC)=O,0.0
19300,CO-ADD:0305845,9.21,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
19301,CO-ADD:0306735,9.21,S(c1ccccc1)(=O)(=O)N2CCCC2C(=O)Nc(cc3)ccc3Cc(cc4)ccn4,0.0
19302,CO-ADD:0312214,9.2,N1(\N=C(/C)\c2ccc(cc2)F)C(=O)CC(SC1=N)C(=O)Nc3cccc(Cl)c3,0.0
19303,CO-ADD:0310757,9.2,C(C(OC)=O)(=CN(Cc(ccc(c12)OCO1)c2)C=C3C(OC)=O)C3c4cccs4,0.0
19304,CO-ADD:0307223,9.2,c1(N(C)C2=O)c(n(cn1)Cc3ccccc3)C(N2Cc(cccc4C(F)(F)F)c4)=O,0.0
19305,CO-ADD:0307431,9.2,c1(C#N)c(COC)cc(nc1SCC(=O)Nc2cccc(cccc3)c23)C,0.0
19306,CO-ADD:0306107,9.2,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3cccc(F)c3)N(CC4)CCO4)[N+](=O)[O-],0.0
19307,CO-ADD:0306099,9.2,c1(cc(N(CC2)CCO2)c(cc1[N+](=O)[O-])F)C(=O)N(CC3)CCO3,0.0
19308,CO-ADD:0305731,9.2,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c(CCN3C(C)=O)c1C(OCC)=O)C3,0.0
19309,CO-ADD:0312217,9.2,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(C)s4,0.0
19310,CO-ADD:0320352,9.2,c(OC)(c(OC)c1)c(OC)cc1C(NCCOc2cccc(OC)c2)=O,0.0
19311,CO-ADD:0324916,9.2,n1(c2ccc(cc2)OC(F)(F)Cl)nc(cc1N)C,0.0
19312,CO-ADD:0324508,9.2,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c3c1C#N)CCCCC3,0.0
19313,CO-ADD:0324516,9.2,n1c(c(ccc(c2Cl)Cl)c2)csc1c(cc3)cc(n3)CCC,0.0
19314,CO-ADD:0321241,9.2,c1(c2ccccc2)nc([nH]c1c3ccccc3)SCc4onc(c5ccccc5)n4,0.0
19315,CO-ADD:0321553,9.2,n(c(SCC(N)=O)nn1)(C(c2c(cccc2)CC34CCCCC3)=C4C(N5c6ccc(cc6)C)=O)c15,0.0
19316,CO-ADD:0319257,9.2,c1(C2c3ccc(cc3Cl)Cl)c([nH]nc1c4ccc(cc4)F)OC(N)=C2C#N,0.0
19317,CO-ADD:0323970,9.2,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4c(C)ccc(c4)[N+](=O)[O-],0.0
19318,CO-ADD:0324011,9.2,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2c(Cl)ccc(c2)[N+](=O)[O-],0.0
19319,CO-ADD:0320348,9.2,n1(c2ccccc2C)nc(c3c1CC(C)(C)CC3=O)C,0.0
19320,CO-ADD:0320180,9.2,N12C(c3c(cccc3)C1=O)=Nc4c(c(ccc5)ccc4)c25,0.0
19321,CO-ADD:0320213,9.2,c12c(CCNC1c3cccc(OC)c3OC)cc(c(OCC)c2)OCC,0.0
19322,CO-ADD:0324274,9.2,N1C(c2ccc(c(OCC)c2)OCc3c(cccc3F)Cl)SCC1C(O)=O,0.0
19323,CO-ADD:0323802,9.2,N(CNC(CC1(C)C)CC(N1)(C)C)(C(CC2(C)C)CC(N2)(C)C)C(CC3(C)C)CC(N3)(C)C,0.0
19324,CO-ADD:0321260,9.2,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccc(cc5)Br)C(OC)=O,0.0
19325,CO-ADD:0323735,9.19,n1c(C(O)=O)cc(C(C)(C)C)n1c2ccccc2,0.0
19326,CO-ADD:0324865,9.19,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(c(OCCOc(cc3)ccc3C)ccc4[N+](=O)[O-])c4)\C2=N,0.0
19327,CO-ADD:0324362,9.19,c12c(CCNC1c(ccc(c3Oc4ccccc4)F)c3)cc(c(OCC)c2)OCC.Cl,0.0
19328,CO-ADD:0324098,9.19,n(c(N)cc(n1)O)c1SCC(OCC)=O,0.0
19329,CO-ADD:0306029,9.19,c1(C(OC)=O)cc(cccc2)c2c(N)c1O,0.0
19330,CO-ADD:0305955,9.19,c1(c2c(sc1NC(COc3cccc(C)c3C)=O)CCCC2)C(=O)OC(C)C,0.0
19331,CO-ADD:0312572,9.19,C1CC[C@](N2C1)([C@]3(C4C2=O)O[C@](C)(C=C3)[C@@H]4c5ccccc5)[H],0.0
19332,CO-ADD:0306227,9.19,n1(c2ccc(cc2)Cl)nnnc1SCC(=O)Nc3nnc(C)s3,0.0
19333,CO-ADD:0303987,9.19,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)Nc(cc3)ccc3OC,0.0
19334,CO-ADD:0303306,9.19,N1(c2ccccc2)C(C(C)c3ccccc3)Nc(c4C1=O)cccc4,0.0
19335,CO-ADD:0301954,9.19,S1C(C)(CC(=O)NCc2ccccc2)NN=C1c3ccccc3,0.0
19336,CO-ADD:0302812,9.19,n(n(Cc1ccc(cc1Cl)F)nn2)c2c3ccc(cc3)F,0.0
19337,CO-ADD:0300593,9.19,c1(NC(CCCOc2ccc(cc2Cl)Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3C(OCC)=O,0.0
19338,CO-ADD:0304480,9.19,c12c(nnc(SCC(=O)Nc(ccc(c3F)F)c3)n1)c(c4n2C(C)C)cccc4,0.0
19339,CO-ADD:0305175,9.19,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(O)c4)OC,0.0
19340,CO-ADD:0300697,9.19,[N+](=O)([O-])c(cc1)ccc1C2OCCCO2,0.0
19341,CO-ADD:0301388,9.19,C(C(=O)c1ccc(cc1)Cl)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCO)=O,0.0
19342,CO-ADD:0301749,9.19,n1c(ccc(c23)cccc2)c3c4c(CCC4)c1c5ccc(c(O)c5)O.Cl,0.0
19343,CO-ADD:0302031,9.19,[N+](=O)([O-])c1ccc(cc1NCCCOS(C)(=O)=O)N2CCCC2,0.0
19344,CO-ADD:0302005,9.19,C(=N/NC(=O)c(ccc(c12)OCO1)c2)(/c3c(N4)ccc(Cl)c3)\C4=O,0.0
19345,CO-ADD:0303736,9.19,s1c(CCCCC)nnc1N,0.0
19346,CO-ADD:0304110,9.19,C(=C/c(cc1OC)cc(c1OCC)Br)(/C2=O)\N=C(O2)\C=C\c3ccccc3,0.0
19347,CO-ADD:0307089,9.19,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2c3ccc(cc3F)C(C)=O)F,0.0
19348,CO-ADD:0311149,9.19,C(=C\c1ccccc1)(/NC(c2ccccc2)=O)\C(=O)N3CCc(c4C3)cccc4,0.0
19349,CO-ADD:0306074,9.19,C1(C)(C)C(c2ccc(cc2)Br)OC(C(C)C1=O)=O,0.0
19350,CO-ADD:0311133,9.19,C(C(=O)N(C)C=N1)(SC(N2CC)=S)=C12,0.0
19351,CO-ADD:0311182,9.19,n(c(cccc1)c1n2CCCC)c2CO,0.0
19352,CO-ADD:0306307,9.19,C1(C#N)(CC(=O)c2ccc(C)o2)C(N)=C(CC1(C#N)C#N)C=O,0.0
19353,CO-ADD:0312327,9.19,N1(CC(=O)c2ccc(cc2)OC)c3c(N(C)C1=N)cccc3.Br,0.0
19354,CO-ADD:0310737,9.19,C(C(OCC)=O)(=CN(c1ccc(cc1)F)C=C2C(OCC)=O)C2c3cccc(Cl)c3,0.0
19355,CO-ADD:0307634,9.19,c1(cc(Cl)cc(Cl)c1OC)C2N(CCN2Cc(cc3)ccc3Cl)Cc(cc4)ccc4Cl,0.0
19356,CO-ADD:0306993,9.19,c(c(onc1c2nonc2N)n1)(n(Cc3ccccc3)nc4[N+](=O)[O-])c4,0.0
19357,CO-ADD:0319899,9.19,c1(C2c(cccn3)c3)c([nH]nc1c4ccc(cc4OCC)OCC)OC(N)=C2C#N,0.0
19358,CO-ADD:0319907,9.19,n1(c(cc2)ccc2C(=O)N(C)C(CC3(C)C)CC(N3C)(C)C)cnnn1,0.0
19359,CO-ADD:0320574,9.18,N1(CCC(O)=O)C(=O)c(c2C1=O)cccc2,0.0
19360,CO-ADD:0320206,9.18,N1(C)C(C)(O)C(OC1=O)(CC2(C)C)CC(N2)(C)C,0.0
19361,CO-ADD:0320551,9.18,C(F)(F)(Cl)Oc(cc1)ccc1NN,0.0
19362,CO-ADD:0323166,9.18,N(CC1N2CCc(cccc3)c13)(C2c4ccc(c(OCC)c4)OCC)S(=O)(=O)c5ccc(cc5)C,0.0
19363,CO-ADD:0323198,9.18,N1(CC2CCCO2)C(=O)c(c3C1(O)Cc4ccccc4)cccc3,0.0
19364,CO-ADD:0323671,9.18,c1(N2CCCCC2)nc(OCC)nc(Cl)n1,0.0
19365,CO-ADD:0323599,9.18,c1(Nc(cc2)ccc2OC(F)(F)F)nc(NC)nc(NCCOC(C3)(CC(C4)CC5CC34)C5)n1,0.0
19366,CO-ADD:0323436,9.18,c1(\C(\CCC2)=N\OCc3ccccc3Cl)c2non1,0.0
19367,CO-ADD:0324517,9.18,N1(c2ccc(cc2)OC(F)(F)F)Cc(c3C1=O)cccc3,0.0
19368,CO-ADD:0321499,9.18,c12c(n(cn1)CCC\N=C(\CCCC3)/N3)C(NC(=O)N2C)=O,0.0
19369,CO-ADD:0321235,9.18,n1c(F)c(F)c(c(F)c1NN)OCC,0.0
19370,CO-ADD:0319299,9.18,c1(C=Nc(c2O3)ccc(cccc4)c24)c3cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
19371,CO-ADD:0321317,9.18,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OC)OCc4ccccc4F)c3)\C1=N,0.0
19372,CO-ADD:0321002,9.18,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccc(cc5)C)C(OC)=O,0.0
19373,CO-ADD:0324341,9.18,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5OC(F)(F)F)c2,0.0
19374,CO-ADD:0324149,9.18,C(=O)(\N=C(\Nc(cccc1[N+](=O)[O-])c1)/Nc2nc(C)cc(C)n2)N(c3c4cccc3)c5c(S4)cccc5,0.0
19375,CO-ADD:0319870,9.18,C1(OC)(c2c(cccc2)CC3(CCCC3)N1)C(=O)C(=O)Nc4ccccc4Cl,0.0
19376,CO-ADD:0319926,9.18,C(=O)(NC(CC1(C)C)CC(N1)(C)C)c2ccco2,0.0
19377,CO-ADD:0319581,9.18,c12c(ccc(C(NC)=O)c1N=[N+]=[N-])C(=O)c(c3C2=O)cccc3,0.0
19378,CO-ADD:0324426,9.18,N1(CN(CC2)CCN2c3ccccc3F)c(ccc(c4Br)C)c4C(=O)C1=O,0.0
19379,CO-ADD:0324099,9.18,n1c(SCC(=O)N(CC2)CCO2)nc(c3c1O)cccc3,0.0
19380,CO-ADD:0324068,9.18,C1(c2ccccc2CNC(=O)c3ccc(cc3)C)CC1,0.0
19381,CO-ADD:0324393,9.18,n1(nc(n2)CC(O)=O)c2NC(C)=C(Br)C1=O.O,0.0
19382,CO-ADD:0321563,9.18,n1c(CSc2nc(C)cc(C)n2)onc1c3ccccc3,0.0
19383,CO-ADD:0320875,9.18,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCN3C)n2)CC(c4ccccc4)=O,0.0
19384,CO-ADD:0320908,9.17,n1(c2c(nn1)cccc2)c3cc(C#N)c(cc3Oc(ccc(c4C)C)c4)C#N,0.0
19385,CO-ADD:0306701,9.17,c1(c2ccc(cc2)Cl)cc(c3ccc(cc3)OCC)nc(ccc(cccc4)c45)c15.Cl,0.0
19386,CO-ADD:0305847,9.17,c1(NC(=O)c2c(Cl)ccc(c2)[N+](=O)[O-])sc(c3c1C(OC)=O)CCCC3,0.0
19387,CO-ADD:0306731,9.17,S(=O)(=O)(c(cc1)cc(c12)CCN2S(C)(=O)=O)N3CCCCC3,0.0
19388,CO-ADD:0312611,9.17,c1cc2c(N3C(CC2N4CCCC4=O)C5(OC(C=C5)C6C(=O)O)C6C3=O)c(c1cc7)cc7,0.0
19389,CO-ADD:0312516,9.17,[C@H]1(O[C@@]2(CC1)[C@@H]3CN(C2)S(=O)(=O)c4ccc(C)cc4)C3,0.0
19390,CO-ADD:0312491,9.17,[C@H](O[C@@]1([C@H]2Br)[C@@H]3C(N(C1)c4ccccc4)=O)([C@@H]35)[C@H]2OC5=O,0.0
19391,CO-ADD:0302797,9.17,c1(C(O)=O)cc(c2ccc(c(OC)c2)OCCC)nc(ccc(cccc3)c34)c14,0.0
19392,CO-ADD:0303661,9.17,N1(c2ccc(cc2)OCC)C(=O)\C(\NC1=S)=C\c(cc3)ccc3Br,0.0
19393,CO-ADD:0303632,9.17,C(=C/c(cc1)ccc1N(C)CCC(C)C)(/C(=O)NN2c3ccc(c(C)c3)C)\C2=O,0.0
19394,CO-ADD:0304289,9.17,c12c(c(ccc1N(CC3)CCO3)N=Nc(cc4)ccc4N(C)C)C(c5c(cccc5)C2=O)=O,0.0
19395,CO-ADD:0302459,9.17,N1=C(c2c3cccc2)c(c4C(=O)N1c5ccccc5)c(C3=O)c(cc4)Cl,0.0
19396,CO-ADD:0302133,9.17,N1(c2ccccc2)C(=O)c(c3C1=O)cccc3NC(=O)\C=C\c4ccco4,0.0
19397,CO-ADD:0304235,9.17,N1(CCC(=O)N1)c2ccc(cc2)Br,0.0
19398,CO-ADD:0302856,9.17,S1(=O)(=O)c(cccc2)c2C(NCCN3C(=O)\C(\SC3=O)=C\c(cc4)ccc4N(C)C)=N1,0.0
19399,CO-ADD:0302483,9.17,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(ccc(c4[N+](=O)[O-])Cl)c4)cccc3,0.0
19400,CO-ADD:0301424,9.17,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c(cccc3C(F)(F)F)c3,0.0
19401,CO-ADD:0301489,9.17,n1c(N2CCCC2)nc(nc1N3CCCC3)NC(C)C,0.0
19402,CO-ADD:0304205,9.16,N1(c2ccc(cc2)OCC)CC(CC1=O)C(=O)Nc3c(C)cc(cc3C)C,0.0
19403,CO-ADD:0304216,9.16,C1(=S)NC(NN1c2ccccc2)(CCCC)CC,0.0
19404,CO-ADD:0301760,9.16,c1(NC(=O)Cc2cccs2)sc(c(C)c1C(OCC)=O)C(=O)Nc(cc3)ccc3C(OCC)=O,0.0
19405,CO-ADD:0305999,9.16,N1(c2ccccc2)CC(CC1=O)C(=O)Nc3ccc(cc3C(F)(F)F)Cl,0.0
19406,CO-ADD:0306349,9.16,N1(C)\C(=N/C)\SC(C(=O)Nc(cccc2C(O)=O)c2)CC1=O,0.0
19407,CO-ADD:0311359,9.16,N1=C(SCCN(C)C)NC(C(c2ccccc2)=C1O)=O.Cl,0.0
19408,CO-ADD:0312342,9.16,C1(=O)Nc2c(Oc(cc(cc3Oc4cccc(c4)NC(C)=O)[N+](=O)[O-])c13)cccc2,0.0
19409,CO-ADD:0305976,9.16,c1(C#N)c(SCC(=O)Nc2ccc(cc2C(c3ccccc3)=O)Cl)nc(cc1C(F)(F)F)c4ccccc4,0.0
19410,CO-ADD:0306022,9.16,C1(c2c(cccc2Cl)Cl)N(CCN1Cc(cc3)ccc3Cl)Cc(cc4)ccc4Cl,0.0
19411,CO-ADD:0311650,9.16,C(=O)(Nc1cccc(SC)c1)c(c2)cc(cn2)Br,0.0
19412,CO-ADD:0307562,9.16,c1(noc(c2c(Cl)ccc(c2)[N+](=O)[O-])n1)c3nonc3N,0.0
19413,CO-ADD:0311345,9.16,c1(nc(ccc(c2)OCC)c2c(C)n1)N\C(\N)=N\C(COc(cc3)ccc3Cl)=O,0.0
19414,CO-ADD:0306802,9.16,C1(C(OCCOC)=O)=C(C)NC(=C2C1c(ccc(c3[N+](=O)[O-])Cl)c3)CCCC2=O,0.0
19415,CO-ADD:0320567,9.16,c1(c(cccc2C(F)(F)F)c2)[nH]c(c3n1)cccc3,0.0
19416,CO-ADD:0320151,9.16,C12=C(c3c(cccc3)C1=O)Nc(ccc(cccc4)c45)c5C2c(cc6OCC)cc(c6O)Br,0.0
19417,CO-ADD:0320183,9.16,C(C1)(C#N)=C(N)CCN1C,0.0
19418,CO-ADD:0319841,9.16,C1(=Cc2c(OC1c(ccc(c34)OCO3)c4)ccc(Br)c2)[N+](=O)[O-],0.0
19419,CO-ADD:0318845,9.16,c1(OC(=O)C=C2C)c2cc(OCC(c3ccccc3)=O)c(Cl)c1,0.0
19420,CO-ADD:0321462,9.16,n(c1nnc[nH]1)(nc(c2[N+](=O)[O-])C)c2C,0.0
19421,CO-ADD:0321385,9.16,S(=O)(=O)(CC(C1CC(=O)Nc(cccc2C(F)(F)F)c2)CC(=O)Nc(cccc3C(F)(F)F)c3)C1,0.0
19422,CO-ADD:0320809,9.16,N1(Cc(cc2)ccc2Cl)\C(=N\c3ccccc3)\SC(C(=O)Nc(cc4)ccc4F)CC1=O,0.0
19423,CO-ADD:0323796,9.16,c1(C(O)=O)oc(c2c1NC(=O)c(cc3)ccc3C(F)(F)F)ccc(Cl)c2,0.0
19424,CO-ADD:0321286,9.16,N1(C(Cc2ccccc2)C3=NC(CO3)(C)C)C(=O)c(c4C1=O)cccc4,0.0
19425,CO-ADD:0319253,9.16,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccccc3F)N4CCCC4)[N+](=O)[O-],0.0
19426,CO-ADD:0324620,9.16,C(C(C)=O)(C1c2cccc(F)c2)=C(O)C(N1c3ccc(cc3)OCC(O)=O)=O,0.0
19427,CO-ADD:0324133,9.16,S(=O)(=O)(Nc1ccccc1OCC)c2cc(C)ccc2OC,0.0
19428,CO-ADD:0324573,9.16,[N+](=O)([O-])c(cccc1C(=O)N\C(=C/c(cc2)ccc2OC)\C(NCCc(c3c([nH]4)cccc3)c4C)=O)c1,0.0
19429,CO-ADD:0324798,9.16,c(nc(OC)nc1n2c(C)cc(C)n2)(n3c(C)cc(C)n3)n1,0.0
19430,CO-ADD:0324137,9.16,S(=O)(=O)(c1ccc(c(OC)c1)Cl)N2CCC(CC2)C,0.0
19431,CO-ADD:0324160,9.16,n1(CC=C)c(SCC(=O)Nc2ccc(cc2OC)OC)nnc1c3ccco3,0.0
19432,CO-ADD:0320926,9.16,c(C(OCC)=O)(c(cc(O)c(c12)cccc1)c2n3CCCOC)c3C,0.0
19433,CO-ADD:0312597,9.16,C1=C[C@@]2([C@]([C@]3(CN(C2)C(=O)C(F)(F)F)O[C@H]4C=C3)([C@]45C(F)(F)F)C(F)(F)F)O[C@H]15,0.0
19434,CO-ADD:0305709,9.15,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(C)c3C)C2c4ccccc4,0.0
19435,CO-ADD:0311659,9.15,c1(c2ccccc2C)nnn(CC(=O)Nc(cc3)ccc3C(OCC)=O)n1,0.0
19436,CO-ADD:0307056,9.15,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2)F,0.0
19437,CO-ADD:0307392,9.15,S(=O)(=O)(CC(OC)=O)c1c(ccc(c1)[N+](=O)[O-])NC(OC)=O,0.0
19438,CO-ADD:0307633,9.15,c1(cc(OC)c(cc1[N+](=O)[O-])OC)C2N(CCCN2Cc3ccccc3)Cc4ccccc4,0.0
19439,CO-ADD:0302153,9.15,c1(cc(Cl)ccc1NC(C)=O)C(O)=O,0.0
19440,CO-ADD:0302124,9.15,N1(c2cccc(c2)C(O)=O)C(=O)c3c(cccn3)C1=O,0.0
19441,CO-ADD:0301844,9.15,S(=O)(=O)(c(cc1)ccc1C(=O)N(CC2)CCO2)N(CC3)CCO3,0.0
19442,CO-ADD:0302716,9.15,C(OC)(=O)c1ccc(cc1)NC(CNc2cccc(Br)c2)=O,0.0
19443,CO-ADD:0303814,9.15,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC4CC4,0.0
19444,CO-ADD:0304342,9.15,c1(c(C)non1)\C(\CBr)=N\O,0.0
19445,CO-ADD:0302498,9.15,c1(SCC(=O)Nc2ccc(cc2F)Cl)ncccn1,0.0
19446,CO-ADD:0304328,9.15,[C@@H]1(Oc(cc2)ccc2\C=N\NC(COc(cc3)ccc3Br)=O)O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O,0.0
19447,CO-ADD:0304323,9.15,C(C(OC)=O)(C(=O)\C(\N1c2ccccc2)=C/c3ccc(CNC(=O)C(OCC)=O)o3)=C1C,0.0
19448,CO-ADD:0302705,9.15,c(c1c2ccccc2)(C3c(cc4)ccc4C(F)(F)F)c([nH]n1)OC(N)=C3C#N,0.0
19449,CO-ADD:0303050,9.15,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)\C1=O,0.0
19450,CO-ADD:0305614,9.15,c1(cc[nH]n1)C(NCCO)=O,0.0
19451,CO-ADD:0311917,9.15,S1(=O)(=O)c(cccc2)c2C(NCCOCc(cc3)ccc3Cl)=N1,0.0
19452,CO-ADD:0306295,9.15,C1(=O)Nc2c(Oc(cc(cc3Oc(cc4)ccc4OC)[N+](=O)[O-])c13)cccc2,0.0
19453,CO-ADD:0310878,9.15,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(=O)COc(cc4)ccc4C(C)(C)C,0.0
19454,CO-ADD:0310853,9.15,c1(n2)c(cc(c(C(c3c(cccc3)C4=O)=O)c14)NC5CCCCC5)n(n2)c6ccc(cc6)C,0.0
19455,CO-ADD:0306706,9.15,N(=C\c(cc1)ccc1O)/C(C(C)C)C(=O)[O-].[Na+],0.0
19456,CO-ADD:0320230,9.15,c1(ccc(\C=C\C(=O)OCC(=O)c2cc(C)ccc2C)o1)[N+](=O)[O-].c3(ccc(\C=C\C(=O)OCC(=O)c4ccc(cc4C)C)o3)[N+](=O)[O-],0.0
19457,CO-ADD:0324205,9.15,c12c(cc(C)c(C)c1)NC(=O)CC2c(cc3OC)cc(c3OC)Br,0.0
19458,CO-ADD:0320730,9.15,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(c(O)c3)OC,0.0
19459,CO-ADD:0321458,9.15,N1(CCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)C(C)(O)C(OC1=O)(C)CC\C=C(\C)/C,0.0
19460,CO-ADD:0320915,9.15,C(=C\C(=O)c1ccc(cc1)OC)(/C2=O)\Nc(c(ccc3S(CC)(=O)=O)O2)c3,0.0
19461,CO-ADD:0320819,9.15,c1(cc(ccc1Cl)SC)C(=O)Nc2cccc(C)n2,0.0
19462,CO-ADD:0321524,9.15,S(=O)(=O)(c1ccc(cc1)C)OC(CC2(C)C)CC(N2O)(C)C,0.0
19463,CO-ADD:0324062,9.14,S(=O)(=O)(c1ccc(cc1)Cl)Oc2c(OC)cc(cc2OC)C=O,0.0
19464,CO-ADD:0324350,9.14,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5C(OC)=O)c2,0.0
19465,CO-ADD:0323907,9.14,C(C(=O)c1ccc(cc1)Cl)(C2c3cccc(OC)c3)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
19466,CO-ADD:0323939,9.14,N1(CC(NCCc(ccc(c2OCC)OCC)c2)=O)C(=O)c3c(C(C)=N1)cccc3,0.0
19467,CO-ADD:0323644,9.14,C1(=CC=CN(CC(=O)N(c2ccc(cc2)C)C3(CCCCC3)C(=O)Nc4c(C)cccc4C)C1=O)[N+](=O)[O-],0.0
19468,CO-ADD:0321089,9.14,N1(C(C)=O)C(c2ccccc2)C(c3ccccc3)C(CC1c4ccccc4)OC(C)=O,0.0
19469,CO-ADD:0323091,9.14,c1(C#N)c(C)c(Cl)c(nc1SCC(c2ccccc2)=O)C,0.0
19470,CO-ADD:0324779,9.14,N12C(c3c(cccc3)C(Cl)=N1)=NNC2=O,0.0
19471,CO-ADD:0318867,9.14,N1(Cc2ccccc2)\C(=N\c3ccccc3)\SC(C(=O)Nc(cc4)ccc4F)CC1=O,0.0
19472,CO-ADD:0318804,9.14,C1(NC(COc2ccc(cc2C3CCCCC3)Cl)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
19473,CO-ADD:0320775,9.14,C(=CC(\C=C\c(cc(OC)c(c1)OCC#C)c1Br)=NC2=O)(C(F)(F)F)N2,0.0
19474,CO-ADD:0320778,9.14,c(C(OCC)=O)(c(cc(O)c(c12)cccc1)c2n3CCOCc4ccccc4Cl)c3C,0.0
19475,CO-ADD:0321466,9.14,N(Cc1ccco1)(C(c2ccc(cc2)Cl)C(=O)Nc3c(C)cccc3C)C(=O)c(cc4)ccc4n5cnnn5,0.0
19476,CO-ADD:0306906,9.14,c1(C2c3ccccc3OCCC)c([nH]nc1c(cc4OC)cc(c4OC)OC)OC(N)=C2C#N,0.0
19477,CO-ADD:0312300,9.14,c1(ccccc1F)C(NCCOc(cc2)ccc2C)=O,0.0
19478,CO-ADD:0310948,9.14,N(c1c(cccc1)NC(CC(c(cccc2[N+](=O)[O-])c2)CC3=O)=C34)(C(=O)C(F)(F)F)C4c5ccc(cc5)Cl,0.0
19479,CO-ADD:0311442,9.14,C(=N/c1ccccc1)(/SC(C(=O)Nc(cc2)ccc2OC)CC3=O)\N3C,0.0
19480,CO-ADD:0307483,9.14,C(C(OC)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
19481,CO-ADD:0307467,9.14,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c(cc5OC)cc(c5OC)OC)cccc4,0.0
19482,CO-ADD:0304065,9.14,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)NC(C)(C)C#C,0.0
19483,CO-ADD:0302631,9.14,N1(c2cccc(OC)c2)C(\C=C\c(cc3)ccc3N(C)C)=Nc(c4C1=O)cccc4,0.0
19484,CO-ADD:0304272,9.14,N1(c2ccc(c(C)c2)C)C(c3ccc(cc3)C)N(N=C1C(C)=O)c4ccc(cc4)OC,0.0
19485,CO-ADD:0301617,9.14,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)CC1c3ccccc3[N+](=O)[O-],0.0
19486,CO-ADD:0304311,9.13,C1(C)(C(OCC)=O)C=C(C(=O)N1c2ccccc2)Nc3ccccc3,0.0
19487,CO-ADD:0304253,9.13,S(=O)(=O)(c1ccc(cc1)CCN)N2CCCCC2C.Cl,0.0
19488,CO-ADD:0301692,9.13,C(/C#N)(\C#N)=C(\C)/C1CC1,0.0
19489,CO-ADD:0301970,9.13,c12c(c3c(cccc3)C1=O)nc(cc(c4N5)NC5=O)c(c4)n2,0.0
19490,CO-ADD:0301443,9.13,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3cccs3,0.0
19491,CO-ADD:0301427,9.13,C(=C(C)NC(=C12)CC(CC1=O)(C)C)(C(=O)Nc3ccccc3OC)C2c4ccc(c5c4)OCO5,0.0
19492,CO-ADD:0301916,9.13,c1(NC(Cc(cc2)ccc2Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3cccc(OC)c3,0.0
19493,CO-ADD:0303309,9.13,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(N)=O)C2c3ccccc3OCC,0.0
19494,CO-ADD:0303293,9.13,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc(cc2)ccc2N(C)C,0.0
19495,CO-ADD:0304053,9.13,c1(C(=O)c2ccc(cc2)OC)oc(c3c1CC)ccc4c3OC(=O)C=C4C,0.0
19496,CO-ADD:0303933,9.13,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c3ccccc3OC,0.0
19497,CO-ADD:0302438,9.13,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N(CC2)CCN2C(c3ccccc3)=O,0.0
19498,CO-ADD:0305819,9.13,c1(NC(COc2ccc(cc2F)F)=O)sc(c(C)c1C(OC)=O)C,0.0
19499,CO-ADD:0311898,9.13,c12c(c3c(OC1=O)cccc3)c4c(nc2NC(CC)=O)CCCC4,0.0
19500,CO-ADD:0305838,9.13,c1(NC(=O)c2ccoc2C)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
19501,CO-ADD:0305449,9.13,N1(c2ccc(cc2)Cl)C(=O)NC(\C(=C/c(cc3)ccc3N4CCCC4)\C1=O)=O,0.0
19502,CO-ADD:0306950,9.13,N1(Cc2ccco2)C(C)(O)C3(OC1=O)CCCCC3,0.0
19503,CO-ADD:0307058,9.13,c1(cc(F)c(cc1Cl)F)C(=O)Nc2cccc(F)c2,0.0
19504,CO-ADD:0305660,9.13,C(=C(C)NC(=C1C#N)SCC(=O)Nc2ccccc2C)(C(=O)Nc3ccccc3C)C1c4ccccc4,0.0
19505,CO-ADD:0324118,9.13,C1(c2ccc(cc2)OC)=C(Nc(cc3)ccc3C(OCCCC)=O)c4c(cccc4)C1=O,0.0
19506,CO-ADD:0324606,9.12,c(C(OCC)=O)(c1C)[nH]c(c1CNc(cc2)ccc2C(OCC)=O)C,0.0
19507,CO-ADD:0324614,9.12,c1(NC(=O)C(C(F)(F)F)C(F)(F)F)sc(c2c1C#N)CC(CC2)C,0.0
19508,CO-ADD:0321180,9.12,C1(SC(F)(F)C(F)C(F)(F)F)=C(C)N(N(c2ccccc2)C1=O)C,0.0
19509,CO-ADD:0320220,9.12,C1(C2C(CCC=C3)C3)=C(CCCC1=O)Nc(ccc4c5ccc(n4)C)c25,0.0
19510,CO-ADD:0321548,9.12,c1(c2ccc(cc2Cl)Cl)nnc(ccc(cccc3)c34)n14,0.0
19511,CO-ADD:0319252,9.12,c1(cc(F)c(cc1N(CC2)CCN2C(C)=O)N3CCC(CC3)C)[N+](=O)[O-],0.0
19512,CO-ADD:0321237,9.12,C1(Nc(cc2)ccc2OC(F)(Cl)F)OC(C)C(C(O)C1O)O,0.0
19513,CO-ADD:0319041,9.12,N1(CCC(=O)Nc2c(cccc2Cl)Cl)C(=O)c3c(cccc3)C1=O,0.0
19514,CO-ADD:0323363,9.12,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc5cccc(C)c5)c2,0.0
19515,CO-ADD:0323332,9.12,c12c(C(N(C)C(=O)N1C)=O)n(c(N3)n2)CC(=N3)c4ccc(cc4)F,0.0
19516,CO-ADD:0323149,9.12,c1(sc(c2c1N)nc(c(Cl)c2C)C)C(=O)N(c3ccccc3)c4ccccc4,0.0
19517,CO-ADD:0323533,9.12,C(F)(F)(F)c1ccccc1NC(COc(ccc(c23)OCO2)c3)=O,0.0
19518,CO-ADD:0324431,9.12,N1(c2cccc(c2)[N+](=O)[O-])C(=O)CC(N(CC)CC)C1=O,0.0
19519,CO-ADD:0324478,9.12,C(=O)(OC(CC1)CCC1C(C)(C)C)Nc2cccc(cccc3)c23,0.0
19520,CO-ADD:0319203,9.12,c1(NC(=O)c2ccoc2C)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
19521,CO-ADD:0319804,9.12,c1(NC(=O)c2ccccc2[N+](=O)[O-])sc(c3c1C(OCC)=O)CC(CC3)C,0.0
19522,CO-ADD:0320621,9.12,c1(SCC(=O)c(ccc2c3Cc(c24)cccc4)c3)[nH]c(c5n1)cccc5,0.0
19523,CO-ADD:0320085,9.12,c12c(CCNC1c(cccc3C(F)(F)F)c3)cc(c(OCC)c2)OCC,0.0
19524,CO-ADD:0321463,9.12,n1(cnnn1)c(cc(OC)cc2NC(=O)c3ccc(cc3F)F)c2,0.0
19525,CO-ADD:0324321,9.12,c12c(C(N(C)C(=O)N1C)=O)n(c(SCc(nc(N)nc3N(CC4)CCO4)n3)n2)Cc5cccc(Cl)c5,0.0
19526,CO-ADD:0323066,9.12,c1(N2)c(c(nc(c3ccccc3)n1)C)C(C=C2C(OC)=O)=O,0.0
19527,CO-ADD:0324218,9.12,C1(C(=O)OCC(C)C)=C(C)NC(NC1c(cc(OC)c(c2[N+](=O)[O-])O)c2)=O,0.0
19528,CO-ADD:0310922,9.12,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC(C)c4ccccc4,0.0
19529,CO-ADD:0307255,9.12,c1(C(OCC)=O)c(Cl)cc(nc1Cl)C,0.0
19530,CO-ADD:0307191,9.12,n1(CC(OCC)=O)c(C)c(c2c1CC(C)(C)CC2=O)CC(Cl)(Cl)Cl,0.0
19531,CO-ADD:0307185,9.12,c1(c2CCCC1=O)c(CC(Cl)(Cl)Cl)c(n2c(cc3)ccc3[N+](=O)[O-])C,0.0
19532,CO-ADD:0311379,9.12,C1(C(F)(F)F)(C(F)(F)F)N=C(C=CC(=C2)Cl)N2C(c3ccc(cc3)C)=N1,0.0
19533,CO-ADD:0312383,9.12,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(O)c4)OC,0.0
19534,CO-ADD:0304276,9.12,N1(C2CCCCC2)C(N(N=C1C(C)=O)c3ccc(cc3)C)c4c5c([nH]c4)cccc5,0.0
19535,CO-ADD:0303772,9.11,C(C#N)(C1(CCCCC1)C(C#N)C(N2)=O)=C2SCCCCSC3=C(C#N)C4(C(C#N)C(=O)N3)CCCCC4,0.0
19536,CO-ADD:0304043,9.11,C(=S)(NC(c1ccc(cc1)OC)C=C2c3ccc(cc3)OC)N2,0.0
19537,CO-ADD:0304086,9.11,N1(C(CCCC)C(N)=O)C(=O)C2C(C3CC2C=C3)C1=O,0.0
19538,CO-ADD:0302418,9.11,N1(c2ccccc2OC)C(c3ccc(cc3)NC(C)=O)Nc(c4C1=O)cccc4,0.0
19539,CO-ADD:0302142,9.11,C(c1cccs1)(O2)=Nc(c3C2=O)ccc(Cl)c3,0.0
19540,CO-ADD:0304056,9.11,[N+](=O)([O-])c(ccc(c1C(O)=O)NCc(cccn2)c2)c1,0.0
19541,CO-ADD:0302156,9.11,C1(c2ccc(cc2)NC(=O)c3ccco3)=Nc(c4C(=O)O1)cccc4,0.0
19542,CO-ADD:0302617,9.11,C(C)(CN1CC2(CN3C1C4CCCCC4)C)(C3)C2=O,0.0
19543,CO-ADD:0303607,9.11,c1(ccc(C)o1)C(=O)Nc(cc2)ccc2NC(=O)C(O)=O,0.0
19544,CO-ADD:0303225,9.11,c1(NC(COc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
19545,CO-ADD:0301904,9.11,c1(c2c(sc1NC(=O)c3cccs3)CCCCC2)C(=O)Nc4ccccc4OCC,0.0
19546,CO-ADD:0302959,9.11,N1(CC(=O)N\N=C\c2ccccc2O)C(=O)CN=C(c3ccccc3)c(cc(Br)cc4)c14,0.0
19547,CO-ADD:0303022,9.11,C1(O)(c2c(N(C)C1=O)cccc2)C3CCc(c4C3=O)cccc4,0.0
19548,CO-ADD:0302038,9.11,C(=C/c(ccc(c1[N+](=O)[O-])N(CC2)CCN2C(c3ccccc3)=O)c1)(/C(=O)N(C)C(N4C)=O)\C4=O,0.0
19549,CO-ADD:0302101,9.11,C(=O)(Nc(cc1)ccc1C(O)=O)c2ccccc2NC(C(C)C)=O,0.0
19550,CO-ADD:0311307,9.11,C(=O)(Oc1cccc(ccc(C)n2)c12)c3ccccc3F,0.0
19551,CO-ADD:0312118,9.11,n1(c2ccc(cc2)OC)nnnc1SCC(OCC)=O,0.0
19552,CO-ADD:0312126,9.11,C(C(OCC)=O)(C(F)(F)F)(NC(OCC)=O)Nc1scc(C2CC2)n1,0.0
19553,CO-ADD:0311645,9.11,C(=N/c(cc1)ccc1OC)(/SC(C(=O)Nc2ccccc2F)CC3=O)\N3C,0.0
19554,CO-ADD:0306164,9.11,[C@@H]1(CC2SC[C@H](C(=O)O)N)[C@@H](C1(C)C)C[C@]2(O)C,0.0
19555,CO-ADD:0306812,9.11,C(C(OCC)=O)(C1c2ccccn2)=C(C)N(C(C)=C1C(OCC)=O)C,0.0
19556,CO-ADD:0318843,9.11,c1(nc(C)cc(C)n1)NC(=O)c2ccccc2Cl,0.0
19557,CO-ADD:0318939,9.11,N(c1cccc(C)c1)(C(=O)c(cc2)ccc2n3cnnn3)C4(CCCCC4)C(=O)Nc5ccccc5C,0.0
19558,CO-ADD:0321181,9.11,C(/C(OC)=O)(\C(F)(F)F)=C(\F)/Sc1ccc(cc1C)OC(c2ccccc2)=O,0.0
19559,CO-ADD:0318749,9.11,N1(c2ccc(cc2)OCC(O)COc3ccccc3C)C(=O)c4c(cccc4)C1=O,0.0
19560,CO-ADD:0319743,9.11,c1(C(OC)=O)oc(c2c1N)ccc(Cl)c2,0.0
19561,CO-ADD:0323704,9.11,N1(CC(NCCc(c2c([nH]3)cccc2)c3C)=O)C(=O)c(c4C1=O)cccc4,0.0
19562,CO-ADD:0323744,9.11,c(C(F)(F)F)(c(Cl)c1Cl)c(Cl)nc1Nc(cc2)ccc2SC(F)(F)F,0.0
19563,CO-ADD:0323127,9.11,S(NCCN(CCC)CCC)(=O)(=O)c1ccc(c2c1cccn2)OC,0.0
19564,CO-ADD:0323135,9.11,c1(C(OCCCC)=O)c(C)c(Cl)c(nc1O)C,0.0
19565,CO-ADD:0323334,9.1,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)OC(F)(F)F)c5ccc(cc5)Br,0.0
19566,CO-ADD:0324151,9.1,n1c(CCNC(=O)c(cc2)ccc2C(=O)c3cc(OC)cc(OC)c3)scc1c4ccccc4,0.0
19567,CO-ADD:0323055,9.1,c12c(CCNC1c3ccccc3OCC)cc(c(OCC)c2)OCC.Cl,0.0
19568,CO-ADD:0323063,9.1,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(c4ccc(cc4)OC)cc(n1)C(F)(F)F,0.0
19569,CO-ADD:0319489,9.1,c1(cc2c(cc1OCC(=O)Nc3c(OC)ccc(OC)c3)cccc2)C(=O)Nc4c(OC)cc(c(OC)c4)Cl,0.0
19570,CO-ADD:0319130,9.1,c1(N2CCC(CC2)C)scc(c(cc3)ccc3[N+](=O)[O-])n1,0.0
19571,CO-ADD:0324226,9.1,c1(ncn2CC(=N)N3CCCCC3)c2C(N(C)C(=O)N1C)=O.Cl,0.0
19572,CO-ADD:0324322,9.1,N1(c2sccn2)C(=O)\C(\SC1=N)=C/c(ccc3c(cccc4C(F)(F)F)c4)o3,0.0
19573,CO-ADD:0323835,9.1,c(S[C@@H](CC1=O)[C@@H](C2)O[C@H]1O2)(nc(CCCC3)c3c4C(F)(F)F)n4,0.0
19574,CO-ADD:0323851,9.1,S(=O)(=O)(NC(CC)C12CC3CC(CC(C3)C1)C2)c4ccc(c(cccc5)c45)OCC,0.0
19575,CO-ADD:0324228,9.1,c12c(n(cn1)CCCC(=N)N(CC3)CCO3)C(N(C)C(=O)N2C)=O.Cl,0.0
19576,CO-ADD:0323077,9.1,N1(C)CCN(CC1CC(OCC)=O)C.Cl.Cl,0.0
19577,CO-ADD:0311513,9.1,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c(ccs3)c3,0.0
19578,CO-ADD:0311521,9.1,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccccc4Cl,0.0
19579,CO-ADD:0307256,9.1,c(c1C)(c(Cl)nc(C)c1[N+](=O)[O-])C(=O)NC(=O)Nc2nc(C)nc(OC)n2,0.0
19580,CO-ADD:0310882,9.1,[N+](=O)([O-])c1ccc(cc1NCc(cc2)ccc2Cl)N(CC3)CCN3C(=O)c4ccccc4OC,0.0
19581,CO-ADD:0311061,9.1,n1(Cc2ccc(cc2Cl)F)c3c(nc1c(c4)scn4)cccc3,0.0
19582,CO-ADD:0310926,9.1,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccccc2)N(CC3)CCN3C(=O)c4cccc(Cl)c4,0.0
19583,CO-ADD:0302618,9.1,N1(CC)C(\C=C\c(cc2)ccc2Br)=Nc(c3C1=O)cccc3,0.0
19584,CO-ADD:0303558,9.1,C(C#N)(C1c2ccc(cc2)Cl)=C(SC)NC(CCCC3=O)=C13,0.0
19585,CO-ADD:0301299,9.1,C(S(C)(=O)=O)(C(c1ccccc1)N(C2=O)c3ccccc3)=C2O\C(\NC4CCCCC4)=N\C5CCCCC5,0.0
19586,CO-ADD:0303275,9.1,c1(C(OCC)=O)nn(c(c2ccccc2)n1)c3ccccc3,0.0
19587,CO-ADD:0301510,9.1,c1(N)c(N)ccc(N)c1.Cl.Cl,0.0
19588,CO-ADD:0302730,9.1,N1(CN2CCCOC2)C(=O)CCC1=O,0.0
19589,CO-ADD:0302484,9.1,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4cccc(Cl)c4Cl)cccc3,0.0
19590,CO-ADD:0302643,9.1,n(c(c1)c2ccc1C(O)=O)c(c3ccccc3)c(n2)c4ccccc4,0.0
19592,CO-ADD:0307437,9.1,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)Nc(ccc(c2Cl)Cl)c2,0.0
19593,CO-ADD:0306149,9.1,c1(cc[nH]n1)C(=O)Nc2ccccc2C(O)=O,0.0
19594,CO-ADD:0306102,9.09,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3c(cccc3F)F)N(CC4)CCO4)[N+](=O)[O-],0.0
19595,CO-ADD:0306805,9.09,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c3cc(OC)ccc3OC,0.0
19596,CO-ADD:0307521,9.09,C1(OC(c2ccccc2)=O)=C(C)C(OC(c3ccc(c(OC)c3)OC)C1(C)C)=O,0.0
19597,CO-ADD:0307489,9.09,C(C(OC)=O)(C(c1ccc(c(F)c1)F)N2)=C(C)N(C2=O)C,0.0
19598,CO-ADD:0319882,9.09,c1(N(CC2)CCN2c3cccc(Cl)c3)nc(NC)nc(Nc(cc4)ccc4OC(Cl)(F)F)n1,0.0
19599,CO-ADD:0320163,9.09,C12=C(CCCC1=O)Nc(c3C2c4ccc(c(OC)c4)OC)ccc5c3ccc(n5)C,0.0
19600,CO-ADD:0323503,9.09,N1C(=O)C=C(N=C1SCC(=O)NC2CCCCC2)C,0.0
19601,CO-ADD:0323535,9.09,C(C(=O)c1ccc(cc1)Cl)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2CCC(O)=O)=O,0.0
19602,CO-ADD:0323551,9.09,n(CC(NCCCOC)=O)(c1c(c2\C=C(/C#N)\C(=O)NC3CCCCC3)cccc1)c2,0.0
19603,CO-ADD:0323609,9.09,C(NCCC(CC(CC1C2)CC23)(C3)C1)(C(F)(F)F)(C(F)(F)F)NC(=O)c4cccc(C)c4,0.0
19604,CO-ADD:0324327,9.09,C(/S\C(\C1=O)=C/c(cc(OCO2)c2c3)c3Br)(=N\C(CC)=O)\N1,0.0
19605,CO-ADD:0324017,9.09,C1(C(NCCc(ccc(c2OCC)OCC)c2)=O)=Cc3c(OC1=O)ccc(OC)c3,0.0
19606,CO-ADD:0324301,9.09,N1(c(cc2)ccc2C(OCC)=O)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
19607,CO-ADD:0324317,9.09,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(cc3)ccc3OC(F)(Cl)F)n2)Cc4ccccc4Cl,0.0
19608,CO-ADD:0324222,9.09,C1(C(OCCSC)=O)=C(C)NC(NC1c(cccc2C(F)(F)F)c2)=O,0.0
19609,CO-ADD:0323047,9.09,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc2ccccc2)SCCO,0.0
19610,CO-ADD:0323767,9.09,c1(c2c(sc1NC(=O)c(cc3)ccc3C(C)(C)C)CCCCC2)C(=O)Nc4c(C)cccc4C,0.0
19611,CO-ADD:0324234,9.09,c1(N(CC2)CCN2C34CC(CC5C3)CC(C5)C4)nc(OCC(F)(F)F)nc(N(C)C)n1,0.0
19612,CO-ADD:0310906,9.09,[N+](=O)([O-])c1c(OCC)ccc(c1)C(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc4ccccc4,0.0
19613,CO-ADD:0312195,9.09,c1(N2CCCCC2)c(cc(c3n1)ccc(C)c3)\C=C(/C#N)\C(N)=O,0.0
19614,CO-ADD:0312135,9.09,C(C(OCC)=O)(C(F)(F)F)(NC(OCC)=O)Nc1sc(c(c2ccccc2)c1C(OCC)=O)CC,0.0
19615,CO-ADD:0312082,9.09,c1(C#N)c(C)cc(nc1SCc2[nH]c(c3n2)cccc3)C,0.0
19616,CO-ADD:0305919,9.09,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCCC2)C(=O)OC(C)C,0.0
19617,CO-ADD:0305911,9.09,c1(NC(=O)C(C)Oc(ccc(c2C)Cl)c2)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
19618,CO-ADD:0301268,9.09,N1(C(=O)\C(\SC1=N)=C\c2c[nH]nc2c3ccc(cc3)Cl)c4nonc4N,0.0
19619,CO-ADD:0301766,9.09,c1([nH]c(c2n1)cccc2)C(O)C(O)c3[nH]c(c4n3)cccc4,0.0
19620,CO-ADD:0302629,9.09,N1(c2cccc(OC)c2)C(\C=C\c(cccc3[N+](=O)[O-])c3)=Nc(c4C1=O)cccc4,0.0
19621,CO-ADD:0303639,9.09,N1C(CC)(c2ccc(cc2)Cl)NN(c3ccccc3)C1=S,0.0
19622,CO-ADD:0304055,9.09,[N+](=O)([O-])c1c(ccc(C(O)=O)c1)NCc(cccn2)c2,0.0
19623,CO-ADD:0303897,9.09,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c3ccc(c(Cl)c3)Cl,0.0
19624,CO-ADD:0301614,9.09,C(C#N)(C1c2ccc(cc2)F)=C(N)OC(CC(c3ccccc3)CC4=O)=C14,0.0
19625,CO-ADD:0303140,9.09,S(=O)(=O)(c1ccc(cc1)NC(=O)c2c(cccc2OC)OC)Nc3ncccn3,0.0
19626,CO-ADD:0302428,9.09,N1(c2ccccc2)C(c3cccs3)Nc(c4C1=O)cccc4,0.0
19627,CO-ADD:0303656,9.09,N(C(=O)\C(\S1)=C/c2ccccc2OC)=C1N3CCCC(C)C3,0.0
19628,CO-ADD:0303654,9.09,n1(c(cc2)ccc2C(OCCC)=O)nnnc1SCC(=O)N3CCCCC3,0.0
19629,CO-ADD:0301785,9.08,C1(=O)N(CCCN(CC2)CCO2)C(C)=CC(=O)N1C,0.0
19630,CO-ADD:0307026,9.08,n1(c(C)c(nn1)C(C)=O)c2c(C)non2,0.0
19631,CO-ADD:0310955,9.08,C(C(OC)=O)(C(F)(F)F)(Nc1scc(C2CC2)n1)NC(=O)c3ccco3,0.0
19632,CO-ADD:0311421,9.08,c(N1CCCCCC1)(cc2C)c(F)cc2C(C)=O,0.0
19633,CO-ADD:0311769,9.08,C(=N/c(cc1)ccc1OC(F)(F)Cl)(/SC(C(=O)Nc(cc2)ccc2Br)CC3=O)\N3CCc4ccccc4,0.0
19634,CO-ADD:0311745,9.08,C(=O)(C(O)(c1ccc(cc1)OC)c2ccc(cc2)OC)NN(c3cccc(C)c3)C(c4ccccc4)=O,0.0
19635,CO-ADD:0311509,9.08,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cccc(OC)c5OC,0.0
19636,CO-ADD:0321471,9.08,c1(c2c(cs1)CCCC2)C(=O)Nc3ccccc3,0.0
19637,CO-ADD:0321184,9.08,C(F)(C(OC)=O)(Sc1ccc(cc1O)O)C(F)(F)F,0.0
19638,CO-ADD:0320773,9.08,n1c(N)n[nH]c1CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc4ccccc4,0.0
19639,CO-ADD:0323300,9.08,C(C(OC)=O)(=CN(c(cc1)ccc1C(OCC)=O)C=C2C(OC)=O)C2c3ccc(c(O)c3)OC,0.0
19640,CO-ADD:0324003,9.08,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2cc(C)ccc2OC,0.0
19641,CO-ADD:0323189,9.08,C1(C(OCCSC)=O)=C(C)NC(NC1c2ccc(c3c2)cccc3)=O,0.0
19642,CO-ADD:0320502,9.08,C(=N/c(cc1)ccc1OC)(/SC(C(=O)Nc(cc2)ccc2OC(F)(Cl)F)CC3=O)\N3CCc(ccc(c4OC)OC)c4,0.0
19643,CO-ADD:0318926,9.08,N1(C)\C(=N/C)\S\C(=C/c(cc2)ccc2OCc3ccccc3F)\C1=O,0.0
19644,CO-ADD:0319148,9.08,c1(NC(CSc2nc(C)cc(C)n2)=O)nonc1N,0.0
19645,CO-ADD:0319540,9.08,c1(C(N)=O)nc(n(CCO)c1N)C,0.0
19646,CO-ADD:0319942,9.08,c1(C2c3ccco3)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
19647,CO-ADD:0324842,9.08,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c3cccs3)\C2=N,0.0
19648,CO-ADD:0320228,9.08,[nH]1c(C)c(c2c1c(C)ccc2F)CCNC(COc3ccc(cc3F)F)=O,0.0
19649,CO-ADD:0306331,9.08,c1(noc(c2ccnn2C)n1)c3nonc3N,0.0
19650,CO-ADD:0306888,9.08,N1(CCCc(onc2c3nonc3N)n2)C(=O)c(c4C1=O)cccc4,0.0
19651,CO-ADD:0312495,9.08,C1(=CCC2(OC(C)=O)[C@@H](C1)C(=O)N(Cc3ccccc3)C2)c4ccccc4,0.0
19652,CO-ADD:0312542,9.08,C1(C(=CC2[C@@H]3C(=O)N(c4cc(C)ccc4)C2)SC=C1)[C@H]3C(O)=O,0.0
19653,CO-ADD:0303969,9.07,c1(sc(c2n1)cccc2)NC(=O)C(CC(N3c4ccc(cc4)CCCC)=O)C3,0.0
19654,CO-ADD:0304000,9.07,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3C)[N+](=O)[O-].Cl,0.0
19655,CO-ADD:0303853,9.07,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)Nc3ccc(cc3Cl)Cl,0.0
19656,CO-ADD:0301900,9.07,[N+](=O)([O-])c(ccc(c1NC(=O)c2cccs2)C(=O)NCc3ccco3)c1,0.0
19657,CO-ADD:0301571,9.07,C1(C)(c2cccs2)NN(C(=S)N1)c3ccc(cc3)C,0.0
19658,CO-ADD:0301528,9.07,c12c(ccc3c1[nH]cn3)nsn2,0.0
19659,CO-ADD:0301930,9.07,c1(cc(ccc1N2CCCCC2)[N+](=O)[O-])C(=O)Nc(cc3)ccc3Oc4ccccc4,0.0
19660,CO-ADD:0302473,9.07,c1(c(ccc(OC)c1OC)\C=N\c(nn2)nc(c2c3ccccc3)c4ccccc4)C(O)=O,0.0
19661,CO-ADD:0302793,9.07,n1c(c2ccccc2)nnn1CC(=O)Nc3ccc(cc3OC)OC,0.0
19662,CO-ADD:0301779,9.07,c1(NC(CSc2sc(c3n2)cccc3)=O)sc(c4c1C(N)=O)CCCC4,0.0
19663,CO-ADD:0303081,9.07,c1(S)n(C2CCCCC2)c(c3n1)ccc(Cl)c3,0.0
19664,CO-ADD:0301939,9.07,N1(c2ccc(cc2)OCCCC)CC(CC1=O)C(=O)NCc(cc3)ccc3Cl,0.0
19665,CO-ADD:0307561,9.07,N1(CCCCCCN2C(C)(O)C(OC2=O)(CC3(C)C)CC(N3)(C)C)C(C)(O)C(OC1=O)(CC4(C)C)CC(N4)(C)C,0.0
19666,CO-ADD:0307619,9.07,C(=O)(c1c(C)cc(c(F)c1)F)N2CCCCC2C,0.0
19667,CO-ADD:0305485,9.07,N1(Cc2ccccc2)C(=O)c3c(N=C1SCC(=O)N(C)c4ccccc4)cccc3,0.0
19668,CO-ADD:0305470,9.07,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1\C=C\c(cc4)ccc4N(C)C,0.0
19669,CO-ADD:0312386,9.07,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OC)c4OC)OC,0.0
19670,CO-ADD:0307124,9.07,n(c(c1ccc(cc1)Cl)c2c(c3Nc(cc4)ccc4OC(Cl)(F)F)cccc2)n3,0.0
19671,CO-ADD:0320845,9.07,N1(c2ccccc2F)C(=O)NC(\C(=C/c(cc3)ccc3OCC(O)=O)\C1=O)=O,0.0
19672,CO-ADD:0320949,9.07,c12c(cc(cc1NC(=O)c3ccc(cc3)F)[N+](=O)[O-])oc(c4ccccc4)c2,0.0
19673,CO-ADD:0320951,9.07,c12c(cc(cc1NC(=O)c3ccc(cc3)OC)[N+](=O)[O-])oc(c4ccccc4)c2,0.0
19674,CO-ADD:0324631,9.07,C12=C(CC(C)(C)CC1=O)Nc(c3C2c4ccccc4C(F)(F)F)ccc5c3cccn5,0.0
19675,CO-ADD:0323367,9.07,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc5cccc(Br)c5)c2,0.0
19676,CO-ADD:0323517,9.07,N1(CCCCC1CC)CC(=O)Nc2ccccc2Oc3ccccc3,0.0
19677,CO-ADD:0324814,9.07,S(=O)(=O)(N(CC1)CCC1C(=O)Nc2ccccc2)c3ccc(c4c3cccn4)OC,0.0
19678,CO-ADD:0324663,9.07,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c3c(C)ccc(c3)[N+](=O)[O-],0.0
19679,CO-ADD:0324737,9.06,N1(c2ccc(cc2)F)C(c3ccc(c4c3)OCO4)C(C1=O)Oc5ccc(cc5C)Cl,0.0
19680,CO-ADD:0324465,9.06,N1(C(C)Nc(c2C1=O)cccc2)NC(=O)c3ccc(cc3)Br,0.0
19681,CO-ADD:0321214,9.06,n(CCOc(cc1)ccc1C)(c(ncnc2N)c2n3)c3SCCC(O)=O,0.0
19682,CO-ADD:0332141,9.06,C(C(OC)=O)(=CN(CC(C1)(C2)CC(C3)CC1CC23)C=C4C(OC)=O)C4c5cccc(F)c5,0.0
19683,CO-ADD:0330726,9.06,c12c(cc(OCO3)c3c1)NC(=O)CC2c4ccccc4OCC,0.0
19684,CO-ADD:0332087,9.06,S(=O)(=O)(c1ccc(c(C)c1)C)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
19685,CO-ADD:0332195,9.06,N1(C(=O)c2ccc(cc2)Cl)C(CC(c3ccccc3)=N1)c4ccccc4[N+](=O)[O-],0.0
19686,CO-ADD:0329516,9.06,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc(cc3)ccc3S(=O)(=O)Nc4nc(C)cc(C)n4,0.0
19687,CO-ADD:0329580,9.06,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)NC(c(cccc2[N+](=O)[O-])c2)CC(OCC)=O,0.0
19688,CO-ADD:0329229,9.06,n1c(c(cc2)ccc2S(C)(=O)=O)nnn1CC(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
19689,CO-ADD:0329253,9.06,C12(SC=C(C(OCC)=O)S1)C(C(OCC)=O)=CSC(C(N3C(CC)=O)(C)C)=C2c(cc(C)cc4)c34,0.0
19690,CO-ADD:0329702,9.06,C(O)(C(OC)=O)(C(F)(F)F)NC(=O)OC(C)(C)C,0.0
19691,CO-ADD:0331378,9.06,c1(coc(cccc2)c12)NC(=O)c(cc3)ccc3C(F)(F)F,0.0
19692,CO-ADD:0331474,9.06,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(c2ccc(cc2)OC)CC(O)=O,0.0
19693,CO-ADD:0330732,9.06,n1(n2)c(nc(cc1C(F)(F)F)c(ccc(c34)OCO3)c4)cc2C(=O)N(C)c5ccc(cc5)OC(F)(F)F,0.0
19694,CO-ADD:0331429,9.06,S(=O)(=O)(CC(C1OC(=O)Nc(cc2)ccc2Cl)N3CCCC3)C1,0.0
19695,CO-ADD:0330958,9.06,C1(OC(C)(C)c2c(cccc2)N1)c3ccc(cc3Cl)Cl,0.0
19696,CO-ADD:0330719,9.06,C12=C(CC(C(C(OC)=O)C1=O)C)Nc(c3NC2c4cc(F)ccc4F)cccc3,0.0
19697,CO-ADD:0331515,9.06,n1(c2c(cccc2)CNC3c4ccccc4F)c3ccc1.Cl,0.0
19698,CO-ADD:0331219,9.06,c1(NC(CSc2[nH]c(c(c3)n2)ccc3[N+](=O)[O-])=O)c(c4ccccc4)nc(cccc5)n15,0.0
19699,CO-ADD:0329774,9.06,C12=C(CC(C(C(OC)=O)C1=O)C)Nc(c3NC2c4cccc(O)c4)cccc3,0.0
19700,CO-ADD:0327351,9.06,n1(nc(n2)N)c2nc(c([N+](=O)[O-])c1[O-])C,0.0
19701,CO-ADD:0328205,9.06,S(=O)(=O)(c1ccc(cc1)OC)c2cc(cc(C(C)C)c2O)NS(=O)(=O)c3ccc(cc3)Cl,0.0
19702,CO-ADD:0328582,9.06,C1(C(F)(F)F)(NC(=O)c2cccc(F)c2)C(=O)NC3=C1C(=O)NC(N3CCc(ccc(c4OCC)OCC)c4)=O,0.0
19703,CO-ADD:0328056,9.06,C(=C/C(=O)C(C)(C)C)(/N1)\C(=C\C(=O)C(C)(C)C)\NC(CCCC2)C12,0.0
19704,CO-ADD:0332012,9.06,C1(C(NCCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)=O)=Cc(c4)c(OC1=O)c(cc4[N+](=O)[O-])OC,0.0
19705,CO-ADD:0332364,9.06,C(C(C)(C)NC(C)(C)C#C)#C.Cl.Cl,0.0
19706,CO-ADD:0331916,9.06,C1(=Cc2c(OC1=O)cccc2)C(=O)N(CC3)CCN3C45CC6CC(CC(C6)C4)C5,0.0
19707,CO-ADD:0332428,9.05,S(=O)(=O)(c1ccc(cc1)C)N2Cc(cccc3)c3CC2C(=O)NC(C)(C)C,0.0
19708,CO-ADD:0332445,9.05,c1(ccc(cc1Cl)Cl)C(=O)c2ccc(cc2)OC,0.0
19709,CO-ADD:0331223,9.05,c12c(nnc(SCC(=O)Nc(cc3)ccc3C(=O)OC(C)C)n1)c4c(cccc4)n2CC=C,0.0
19710,CO-ADD:0331528,9.05,n12c(ccc(I)n1)nnc2C(F)(F)F,0.0
19711,CO-ADD:0331176,9.05,c1(C(F)(F)F)nc(c2n1Cc3ccccc3)cccc2,0.0
19712,CO-ADD:0329666,9.05,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)(=O)(=O)c3c(C)ccc(c3)[N+](=O)[O-],0.0
19713,CO-ADD:0327655,9.05,c1(C(=O)NCc2ccco2)sc3c(c(COC)cc(C)n3)c1N,0.0
19714,CO-ADD:0327671,9.05,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1c5cccc(C)c5)CC,0.0
19715,CO-ADD:0327944,9.05,C(=O)(NC(C)(C(C)C)C#N)c1cccnc1Oc(cc2)ccc2F,0.0
19716,CO-ADD:0329224,9.05,C(=N/OCc(cccc1C(F)(F)F)c1)(/C(C)=N2)\C(C)=Nc(c23)cccc3,0.0
19717,CO-ADD:0332477,9.05,N1(NC(=O)c2ccc(cc2)Br)C(c(cccn3)c3)Nc(c4C1=O)cccc4,0.0
19718,CO-ADD:0331869,9.05,n1(c(C)c(nn1)C(=O)NCc2ccccc2)c3nonc3NC(C)=O,0.0
19719,CO-ADD:0332318,9.05,C(Nc(cc1)ccc1CC)(OC(C)=CC2=O)=C2C(C)=O,0.0
19720,CO-ADD:0330743,9.05,C(O)(C(OCC)=O)(c1ccc(c(OC)c1)O)C(F)(F)F,0.0
19721,CO-ADD:0330759,9.05,C1(C(F)(F)F)(NC(=O)c2ccccc2F)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
19722,CO-ADD:0330791,9.05,c(N(CC1)CCO1)(nc(c2n[nH]nn2)nc3N(CC4)CCO4)n3,0.0
19723,CO-ADD:0331619,9.05,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4c(C)cc(c(OC)c4)C,0.0
19724,CO-ADD:0326674,9.05,C1(=O)Nc2c(Oc(cc(cc3Oc(cc4)ccc4OC)[N+](=O)[O-])c13)ccc(Cl)c2,0.0
19725,CO-ADD:0326267,9.05,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)O)c5ccc(cc5)Br,0.0
19726,CO-ADD:0328328,9.05,c(c(c1ccccc1)n(c2Br)CC)(C3=O)c2N(C(=O)N3C)C,0.0
19727,CO-ADD:0328625,9.05,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2F)NC3=C1C(=O)NC(N3Cc4ccco4)=O,0.0
19728,CO-ADD:0326249,9.05,N1(c2c(C)cccc2C)C(=O)CC(N(CC3)CCN3Cc4ccccc4)C1=O,0.0
19729,CO-ADD:0327746,9.05,C1(NCCc2ccccc2)(C(F)(F)F)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
19730,CO-ADD:0327506,9.05,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(c(C(N)=O)nn3c4ccccc4)n3)n2)Cc(cc5)ccc5C,0.0
19731,CO-ADD:0327282,9.05,C12(NC(C(C(N3Cc4ccccc4)=O)C1C3=O)C)c5c(NC2=O)ccc(Br)c5,0.0
19732,CO-ADD:0327347,9.05,C(C(F)(F)F)(C(F)(F)F)(NC1=O)N=C2N1NC=C2c3ccccc3.C(C(F)(F)F)(C(F)(F)F)(N4)NC(n(ncc5c6ccccc6)c45)=O,0.0
19733,CO-ADD:0327507,9.05,c(NC(=O)Cn(nnc1c2ccccc2C)n1)(c(C(N)=O)nn3c4ccccc4)n3,0.0
19734,CO-ADD:0329905,9.05,c1(c2ccco2)nnc(c(cccc3NC(=O)c4ccccc4I)c3)o1,0.0
19735,CO-ADD:0327722,9.05,c12c(c(cc(Oc(c3N4)cccc3)c14)NCCNc5ccccc5)C(c6c(cccc6)C2=O)=O,0.0
19736,CO-ADD:0328607,9.04,[N+](=O)([O-])c(cc(Sc(cc1)ccc1C)c(c23)C=Cc(cccc4)c4O2)c3,0.0
19737,CO-ADD:0328001,9.04,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3N(C)C,0.0
19738,CO-ADD:0329371,9.04,c1(C(O)=O)cc(OC)c(cc1NC(=O)c(cccc2[N+](=O)[O-])c2C)OC,0.0
19739,CO-ADD:0330730,9.04,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)OC)cc2C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
19740,CO-ADD:0330778,9.04,c1(cc(ccc1Oc(cc2)c(OC)cc2C(=O)Nc(c3)c(ccc3C(F)(F)F)Oc(cc4)ccc4F)C(F)(F)F)[N+](=O)[O-],0.0
19741,CO-ADD:0331008,9.04,c1(C(=O)NCc2ccccc2)c(Cl)c(c3s1)ccc(OC)c3,0.0
19742,CO-ADD:0328912,9.04,n1c(c2ccc(cc2)OCc3ccccc3F)nnn1CC(NCCc(ccc(c4OCC)OCC)c4)=O,0.0
19743,CO-ADD:0328928,9.04,c12c(n(c(Oc(cc3)ccc3Oc4c(Cl)cc(cn4)Cl)n1)CCCC)C(N(C)C(=O)N2C)=O,0.0
19744,CO-ADD:0329805,9.04,N1(c2ccccc2)C(COc3cc(C)ccc3C(C)C)=NNC1=S,0.0
19745,CO-ADD:0326555,9.04,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c(ccs4)c4,0.0
19746,CO-ADD:0332190,9.04,C(=C/c(ccc1c(cc2)ccc2C(OCC)=O)o1)(/C(C)=NN3c(cc4)ccc4C(OC)=O)\C3=O,0.0
19747,CO-ADD:0332542,9.04,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccccc2)N(CC3)CCN3C(=O)c4cccc(Br)c4,0.0
19748,CO-ADD:0327404,9.04,c12c(ncnc1N3CCCCC3)sc(CC4(c5ccccc5)C#N)c2CC4,0.0
19749,CO-ADD:0330072,9.04,C1(OC(C)=O)(C(F)(F)F)Oc2c(NC1=O)ccc(C)c2,0.0
19750,CO-ADD:0328422,9.04,N1(C2CCCCC2)C(=O)c(c3C1(O)Cc4ccccc4)cccc3,0.0
19751,CO-ADD:0327906,9.04,c1(SCC(=O)Nc2sccn2)nc(C)cc(C)c1C(N)=O,0.0
19752,CO-ADD:0326858,9.04,N1(CCCCCC(=O)NC(CC2(C)C)CC(N2)(C)C)C(=O)c3c(cccc3)C1=O.Cl,0.0
19753,CO-ADD:0329345,9.04,N12C(SC=C1c3ccccc3)=NC(C(OC)=O)=CC2=O,0.0
19754,CO-ADD:0327665,9.04,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1Cc5ccccn5)CC,0.0
19755,CO-ADD:0329778,9.04,C12=C(CC(CC1=O)c(cc3OC)cc(c3OC)OC)Nc(c4NC2c5ccc(cc5)OCC)cccc4,0.0
19756,CO-ADD:0331691,9.04,c(c(O)[nH]n1)(C2c3ccc(cc3)OC)c1CC(C)(O)C2C(OC)=O,0.0
19757,CO-ADD:0330744,9.04,C(O)(C(OC)=O)(C(F)(F)F)c1cc2c(cc1O)OCO2,0.0
19758,CO-ADD:0332544,9.04,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4ccccc4C)[N+](=O)[O-],0.0
19759,CO-ADD:0326718,9.04,n1(N)c(C)nnc1SCC(=O)Nc2c(Cl)cc(cc2Cl)Cl,0.0
19760,CO-ADD:0329883,9.04,c1(C(=O)N(c(cccc2C(F)(F)F)c2)N=C3C(OCC)=O)c3csc1N,0.0
19761,CO-ADD:0327972,9.04,c1(nonc1OC)NC(=O)C(C(F)(F)F)C(F)(F)F,0.0
19762,CO-ADD:0332574,9.04,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccccc2)N(CC3)CCN3C(=O)c4cccs4,0.0
19763,CO-ADD:0331476,9.04,[N+](=O)([O-])c1ccccc1C(=O)NC(c2ccc(cc2)OC)CC(O)=O,0.0
19764,CO-ADD:0327650,9.04,C1(c2ccc(C)o2)OC(CC)(CC)c3c(cccc3)N1,0.0
19765,CO-ADD:0329379,9.04,c1(C(O)=O)cc(OC)c(cc1NC(=O)C(C)Oc2ccccc2)OC,0.0
19766,CO-ADD:0329395,9.04,N1(c2ccc(cc2)OC)C(=O)C(N(CCCn3nc(cc3C(F)(F)F)C(F)(F)F)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
19767,CO-ADD:0329235,9.04,n1(c2ccc(c(C)c2)C)nnnc1SCC(=O)N3c4c(cccc4)Sc(ccc(Cl)c5)c35,0.0
19768,CO-ADD:0329723,9.04,n1(c2ccccc2)ncc(C#CN)n1,0.0
19769,CO-ADD:0327843,9.04,C1(=Cc2c(OC1=O)cccc2)c3csc(CC(OCC)=O)n3,0.0
19770,CO-ADD:0326216,9.04,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3Cl)\NC(=O)c4ccc(cc4)OCC(C)C)c1C,0.0
19771,CO-ADD:0330082,9.04,C(/C(OCC)=O)(\C(c1ccccc1)=O)=C(\N)/NCc2ccco2,0.0
19772,CO-ADD:0328749,9.04,c1(C(NCCc2ccccc2)=O)c(C)c(Cl)c(nc1Oc(cc3)ccc3F)C,0.0
19773,CO-ADD:0329152,9.04,C1(CCC(NC1c2ccc(c(OC)c2)OCc3ccccc3)=O)[N+](=O)[O-],0.0
19774,CO-ADD:0328336,9.04,C1(C(=O)NC2CC2)=NNC(=O)c(cccc3)c13,0.0
19775,CO-ADD:0331642,9.04,S(NCCOC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4c(OCC)ccc(OCC)c4,0.0
19776,CO-ADD:0331436,9.03,N1=C(NCCCC)C(C(C)=O)=C(N(c2ccccc2)C1=S)C,0.0
19777,CO-ADD:0327421,9.03,C1(C(=O)OC2CCCCC2)=C(C)N(C(=O)NC1c3c(cccc3Cl)F)C,0.0
19778,CO-ADD:0329854,9.03,C(=O)(c1ccc(cc1)Cl)Nc(cc2)ccc2CC#N,0.0
19779,CO-ADD:0329870,9.03,c12n(c3c(cccc3)n1)c(cc(C)c2C#N)NCCNc4ccc(cc4[N+](=O)[O-])C(F)(F)F,0.0
19780,CO-ADD:0329415,9.03,c1(Oc(cc2)ccc2OC(=O)c3cccc(C)c3)c(Cl)cc(cn1)Cl,0.0
19781,CO-ADD:0327760,9.03,N1(N=C(S2)C)C2=NC(=O)\C(=C\c(ccc(c3OC)OCCOc(cc4)ccc4OC)c3)\C1=N,0.0
19782,CO-ADD:0329508,9.03,C(C(c1ccccc1)=O)(C2c3ccc(c(OCC)c3)O)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
19783,CO-ADD:0331949,9.03,S(=O)(=O)(c1ccc(c(OC)c1)OC)NC(c(cccc2[N+](=O)[O-])c2)CC(OCC)=O,0.0
19784,CO-ADD:0331886,9.03,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3cccc(C)c3C,0.0
19785,CO-ADD:0331036,9.03,c1(C(F)(F)F)c(C#N)c(N)nc(C)c1C(OC)=O,0.0
19786,CO-ADD:0330772,9.03,c12c(nnc(SCC(=O)Nc(ccc(c34)OCCO3)c4)n1)c5c(cccc5)n2CCC,0.0
19787,CO-ADD:0331577,9.03,C(C(O)=O)C(c1ccc(c(OC)c1)OCC)NC(COc2ccccc2OC)=O,0.0
19788,CO-ADD:0327963,9.03,C(C(F)(F)F)(C(F)(F)F)(O1)c(ccc(c2)Cl)c2OP1(OCC)=S,0.0
19789,CO-ADD:0329908,9.03,C(CNC(=O)c1ccc(cc1)Cl)(CC2CC3CC4(C2)CNC(=O)c5ccc(cc5)Cl)(C3)C4,0.0
19790,CO-ADD:0329340,9.03,C(=C\c1cc(OC)ccc1OC)(/C(=O)O2)\C(=O)OC2(C)c3ccccc3,0.0
19791,CO-ADD:0326104,9.03,C1(=S)NC(NN1c2ccc(c(C)c2)C)(CC(C)CC3(C)C)C3,0.0
19792,CO-ADD:0329307,9.03,N1(C(C)(C)C=C(c(cc(OCC)cc2)c12)C)C(=O)Nc3ccccc3F,0.0
19793,CO-ADD:0328201,9.03,S(=O)(=O)(c1ccc(cc1)Cl)c2cc(cc(C(C)C)c2O)NS(=O)(=O)c3ccc(cc3)OC,0.0
19794,CO-ADD:0328617,9.03,N1(CC(OCc(ccc(c2n3)no3)c2)=O)c(cccc4)c4C(=O)C1=O,0.0
19795,CO-ADD:0328446,9.03,N1(OC(C)=O)C(C)(C)CC(CC1(C)C)NS(C)(=O)=O,0.0
19796,CO-ADD:0327483,9.03,c1(N(C)C2=O)c(n(c(SCC(=O)Nc(c(C(N)=O)nn3c4ccccc4)n3)n1)C)C(N2Cc5ccccc5Cl)=O,0.0
19797,CO-ADD:0327372,9.03,N1(c2cc(C)ccc2C)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccc(cc4C)Cl,0.0
19798,CO-ADD:0332057,9.03,C12=C(CC3(CCCCCCC3)OC1=O)c4c(ccc5c4cccn5)NC2c6ccc(c(OC)c6)OC,0.0
19799,CO-ADD:0331979,9.03,N(CC1C)(CC(O1)C)C(=O)\C(\NC(=O)c2ccc(c(C)c2)C)=C\c3ccco3,0.0
19800,CO-ADD:0331718,9.03,C1(NC(CCc2ccccc2)=O)(C(F)(F)F)C(=O)N(C(=O)N1)C,0.0
19801,CO-ADD:0330880,9.03,c1(C(OCC)=O)c(N)n[nH]c1c2ccc(cc2)OC,0.0
19802,CO-ADD:0330849,9.03,S(=O)(=O)(N(CC=C)CC=C)c1ccc(c2c1cccn2)OC,0.0
19803,CO-ADD:0330941,9.03,c1(C(=O)N(CC2)CCO2)sc3c(c(COC)cc(C)n3)c1N=P(c4ccccc4)(c5ccccc5)c6ccccc6,0.0
19804,CO-ADD:0326038,9.03,c1(c2c(cccc2Cl)Cl)nnc(ccc(N3CCCCC3)n4)n14,0.0
19805,CO-ADD:0329531,9.03,N(Cc1ccccc1)(C(=O)C(N2NC(=O)c3cccc(F)c3)CC(=O)Nc(cc4)ccc4Cl)C2=S,0.0
19806,CO-ADD:0326455,9.03,C(=O)(Nc1ccccn1)C(=O)Nc(cc2)ccc2C,0.0
19807,CO-ADD:0327400,9.03,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)NCc4ccccc4F)n2,0.0
19808,CO-ADD:0328072,9.03,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2c(OCC)ccc(OCC)c2,0.0
19809,CO-ADD:0332233,9.03,C1(C(OCCOCCC)=O)=C(C)NC(NC1c2cccc(Br)c2)=O,0.0
19810,CO-ADD:0327396,9.03,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(NCCOC)=O)n2,0.0
19811,CO-ADD:0327588,9.03,c(C(=O)NC(N1)c(ccc(c2Cl)Cl)c2)(sc3c4c(COC)cc(C)n3)c14,0.0
19812,CO-ADD:0327740,9.03,C(F)(Cl)(F)Oc(cc1)ccc1NC(=O)CCN(CC2)CCO2.Cl,0.0
19813,CO-ADD:0327500,9.03,c1(NC(=O)CN(CC2)CCN2CCO)cc(on1)C,0.0
19814,CO-ADD:0327220,9.03,N1(CCCc(cccc2)c12)C(=O)\C=C\c(cc3)ccc3[N+](=O)[O-],0.0
19815,CO-ADD:0327388,9.02,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4c(cccc4Cl)F)cc(c(C)c3)C,0.0
19816,CO-ADD:0328642,9.02,c1(c(c2ccccc2)[nH]nc1C(F)(F)F)C34CC5CC(CC(C5)C3)C4,0.0
19817,CO-ADD:0328060,9.02,C1(C2)([N+](=O)[O-])C(CC(C)=O)C(c3c(cccc3)C1=O)(CN2CCBr)[N+](=O)[O-],0.0
19818,CO-ADD:0327924,9.02,c1(N2CCCCC2)nc(OCC)nc(N=[N+]=[N-])n1,0.0
19819,CO-ADD:0327940,9.02,S(=O)(=O)(N(CCCC)CCCC)c1nc(C)c(c(C)c1C#N)Cl,0.0
19820,CO-ADD:0329514,9.02,C1(C(F)(F)F)(NC(c2ccccc2)=O)C(=O)NC3=C1C(=O)NC(N3CCc(ccc(c4OCC)OCC)c4)=O,0.0
19821,CO-ADD:0331048,9.02,N1(CCc(c2c([nH]3)ccc(OC)c2)c3C)C(=O)C(C4C1=O)C5CC4C=C5,0.0
19822,CO-ADD:0331244,9.02,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)NC(c2ccc(cc2)OC)CC(O)=O,0.0
19823,CO-ADD:0332510,9.02,N1(CCc(cc(cc2)NC(=O)c(c3)cc(cc3[N+](=O)[O-])[N+](=O)[O-])c12)C(C)=O,0.0
19824,CO-ADD:0331964,9.02,C12(C(CCC)C#N)CC(CC3C1)CC(C3)C2,0.0
19825,CO-ADD:0327208,9.02,N1(C(c2ccc(cc2)Cl)C(=O)Nc3c(C)cccc3C)C(c4ccco4)CC1=O,0.0
19826,CO-ADD:0326488,9.02,c1(C2(CCCCC2)NCCc(c3c([nH]4)cccc3)c4C)nnnn1c5ccc(cc5)OC,0.0
19827,CO-ADD:0326264,9.02,c1(cnn2c(cc3)ccc3C(F)(F)F)c2CC(C)(C)c(nc4c(cccc4)n5)c15,0.0
19828,CO-ADD:0326233,9.02,[N+](=O)([O-])c(cccc1C(=O)N\C(=C/c2ccccc2)\C(NCCc(c3c([nH]4)cccc3)c4C)=O)c1,0.0
19829,CO-ADD:0329309,9.02,N1(CCc(cccc2)c12)C(=O)NC3CCCCC3,0.0
19830,CO-ADD:0331108,9.02,n1(nnc(C(OCC)=O)c1CCl)c2nonc2n3cccc3,0.0
19831,CO-ADD:0331817,9.02,N1(c(cc2)ccc2C(=O)\C=C\c(cccc3[N+](=O)[O-])c3)C(=O)C4C(C5CC4C=C5)C1=O,0.0
19832,CO-ADD:0332218,9.02,C1(C(OCCCC)=O)=C(C)NC(NC1c(cc(OC)c(c2[N+](=O)[O-])O)c2)=O,0.0
19833,CO-ADD:0330813,9.02,c1(C(=O)N(CC2)CCO2)sc3c(c(COC)cc(C)n3)c1N,0.0
19834,CO-ADD:0331326,9.02,C1(C(F)(F)F)(NC(=O)c2ccco2)C(=O)N(C(=O)N1)c3ccc(cc3)F,0.0
19835,CO-ADD:0327333,9.02,C(F)(F)(Cl)Oc(cc1)ccc1NC(=O)CN2CCC(CC2)C.Cl,0.0
19836,CO-ADD:0328725,9.02,c1(cc(ccc1Oc(cc2)ccc2Cl)NC(=O)\C=C\c3ccccc3)C(=O)c4ccc(cc4)Cl,0.0
19837,CO-ADD:0328733,9.02,c1c(ccnc1N)Nc2ccccc2,0.0
19838,CO-ADD:0328502,9.02,S(=O)(=O)(c1ccc(cc1)C)N2C(C)Cc(cc3S(=O)(=O)NCc4ccccc4)c2cc3,0.0
19839,CO-ADD:0328798,9.02,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NNc3c(Cl)cc(cn3)Cl,0.0
19840,CO-ADD:0332176,9.02,C(C(=O)c1ccc(cc1)OC)(C2c(cccn3)c3)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
19841,CO-ADD:0332232,9.02,C1(C(OCCOCCC)=O)=C(C)NC(NC1c2cccc(O)c2)=O,0.0
19842,CO-ADD:0332584,9.02,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c(cc4)ccc4C(C)(C)C,0.0
19843,CO-ADD:0331664,9.02,S(=O)(=O)(c1ccc(cc1)F)N(CC2)CCC2C(=O)N3CCc(c4C3)cccc4,0.0
19844,CO-ADD:0331185,9.02,c1(COc(ccc(c23)cccc2)c3)n(CC)c4c(cccc4)n1,0.0
19845,CO-ADD:0331516,9.02,n1(c2c(cccc2)CNC3c(ccc(c45)OCO4)c5)c3ccc1.Cl,0.0
19846,CO-ADD:0331164,9.02,n(CCc1ccccc1)(c2c(n3)cccc2)c3CCC,0.0
19847,CO-ADD:0331181,9.02,n1c2c([nH]c1COc(ccc(c34)cccc3)c4)cccc2,0.0
19848,CO-ADD:0331589,9.01,n1(n2)c(NC(c(ccc(c34)OCO3)c4)CC1C(F)(F)F)cc2C(=O)N(C)c5ccc(cc5)OC(F)(F)F,0.0
19849,CO-ADD:0331342,9.01,C1(C(=O)N(C)C(N2C)=O)=C2NC(=NC1(C(F)(F)F)C(F)(F)F)Cc3ccccc3,0.0
19850,CO-ADD:0331374,9.01,C(c1ccccc1)(=O)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
19851,CO-ADD:0330918,9.01,c1(C(=O)Oc2ccccc2)sc3c(c(COC)cc(C)n3)c1N,0.0
19852,CO-ADD:0330966,9.01,c12c(c(n[nH]1)c3ccc(cc3)F)C(N(c4ccccc4)C2=O)c5cccc(OC)c5,0.0
19853,CO-ADD:0328519,9.01,S(=O)(=O)(CC(=O)Nc(cccc1C(O)=O)c1)c2ccc(cc2Cl)C(F)(F)F,0.0
19854,CO-ADD:0329879,9.01,N1(CCc(c2c([nH]3)cccc2)c3C)C(=O)c(c4C1=O)cccc4,0.0
19855,CO-ADD:0326255,9.01,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCCCCO,0.0
19856,CO-ADD:0328603,9.01,C1(=O)N(CCC)c2c(Oc(cc(cc3[N+](=O)[O-])Oc4ccccc4)c13)cccc2,0.0
19857,CO-ADD:0327828,9.01,C(=O)(c1c(cccc1F)F)NC(=O)Nc2ccccc2SC(F)(F)C(F)(F)F,0.0
19858,CO-ADD:0327604,9.01,N1(CC(=O)N\N=C\c2c[nH]nc2c3ccc(cc3)F)CC(CC1=O)c4ccccc4,0.0
19859,CO-ADD:0331593,9.01,c1(C(=O)Nc2cccc(Cl)c2)nnn(Cc(cc3)ccc3OC)c1N,0.0
19860,CO-ADD:0331625,9.01,S(=O)(=O)(c(cc1)ccc1C2CCCCC2)NCC(CC(CC34)CC5C3)(C4)C5,0.0
19861,CO-ADD:0332629,9.01,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cc(Br)ccc4F,0.0
19862,CO-ADD:0326413,9.01,C(=O)(N1CCCCC1)C(CC2)(CCO2)c3ccccc3,0.0
19863,CO-ADD:0331980,9.01,C(/NC(=O)c1ccc(c(C)c1)C)(=C/c2ccco2)\C(=O)N(CC3)CCN3c4ccccc4F,0.0
19864,CO-ADD:0332564,9.01,S(CC)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NC(C)C34CC(CC5C3)CC(C5)C4,0.0
19865,CO-ADD:0331858,9.01,n1c2c(cccc2C)cc(C=O)c1Cl,0.0
19866,CO-ADD:0331965,9.01,n1c2c(CCC2)cc(C#N)c1SCC(=O)N(c3ccccc3)c4ccccc4,0.0
19867,CO-ADD:0332405,9.01,C(C(OC)=O)(NNc1cccc(Cl)c1)(C(F)(F)F)NC(=O)c2cccc(F)c2,0.0
19868,CO-ADD:0332359,9.01,N(C(=O)\C(\S1)=C/c(cc2)ccc2OC(C)C)=C1N(CC3)CCO3,0.0
19869,CO-ADD:0332383,9.01,c1(cc(C#N)c(cc1Nc2cccc(cccn3)c23)C#N)[N+](=O)[O-],0.0
19870,CO-ADD:0331976,9.01,C(/NC(=O)c1ccc(c(C)c1)C)(=C/c2cccs2)\C(=O)Nc3cccc(C)c3,0.0
19871,CO-ADD:0332024,9.01,c1(C(=O)c2ccc(cc2)C)nsc(Cl)c1Cl,0.0
19872,CO-ADD:0332528,9.01,c1(cc(ccc1N(CC2)CCN2C(=O)c3cccc(F)c3)[N+](=O)[O-])C(F)(F)F,0.0
19873,CO-ADD:0329724,9.01,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c3ccc(c(Cl)c3OC)Cl,0.0
19874,CO-ADD:0329333,9.01,[N+]1(CCc(cc2)ccc2O)=NOC(=N)[C-]1[H].Cl,0.0
19875,CO-ADD:0330888,9.01,N1(NC(C)=O)C(=O)c2c(NC1c3[nH]c(c4n3)cccc4)cccc2,0.0
19876,CO-ADD:0331313,9.01,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)OC)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)C)=O,0.0
19877,CO-ADD:0331465,9.0,n12c(nc(cc1C(F)(F)F)c3ccccc3)cc(C(=O)OCC4CCCN5C4CCCC5)n2,0.0
19878,CO-ADD:0330825,9.0,c1(c(C)c(Cl)c(nc1Oc(cc2)ccc2F)C)C(=O)Nc3cccc(OC)c3,0.0
19879,CO-ADD:0331583,9.0,c(c(N)on1)(c1CC(N2OC(C)=O)(C)C)C2(C)C,0.0
19880,CO-ADD:0332436,9.0,S(=O)(=O)(c1ccc(cc1)C)N2Cc(cccc3)c3CC2C(=O)Nc(cc4)ccc4OC,0.0
19881,CO-ADD:0332358,9.0,N(C(=O)\C(\S1)=C/c(ccc2c3ccccc3Br)o2)=C1N(CC4)CCN4C(C)=O,0.0
19882,CO-ADD:0332471,9.0,c1(NC(=O)c(cc2)ccc2C(=O)Nc3sc(c(C)c3C(OCC)=O)C)sc(c(C)c1C(OCC)=O)C,0.0
19883,CO-ADD:0331355,9.0,n1(c2c(s3)cccc2)c3nnc1SCc4cccc(Cl)c4,0.0
19884,CO-ADD:0332360,9.0,N(C(=O)\C(\S1)=C/c(cc2)ccc2OC(C)C)=C1N(CC3)CCN3c4ccccc4C,0.0
19885,CO-ADD:0332376,9.0,c(C(O)=O)(cc1F)c(Cl)cc1N2CCC(CC2)C,0.0
19886,CO-ADD:0332449,9.0,[N+](=O)([O-])c1cccc(c1)NC(CSCC(=O)Nc(cc2)ccc2Br)=O,0.0
19887,CO-ADD:0329373,9.0,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc2cc(OC)c(cc2C(O)=O)OC,0.0
19888,CO-ADD:0329949,9.0,C1(C(c2ccccc2)=O)=C(NCCO)CC(C)(C)CC1=O,0.0
19889,CO-ADD:0329285,9.0,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c3cc(Br)ccc3OCCOc4ccccc4)\C1=N,0.0
19890,CO-ADD:0332305,9.0,C1(=S)N(NC(=O)c2cccc(F)c2)C(C(=O)N1c(cc3)ccc3C(OCC)=O)CC(=O)Nc4cccc(OCC)c4,0.0
19891,CO-ADD:0331522,9.0,n(c(SCC(N)=O)nn1)(C(c2c(cccc2)CC34CCCCC3)=C4C(N5C)=O)c15,0.0
19892,CO-ADD:0331196,9.0,c1(C(=O)Nc(cc2)ccc2OC)nn(c(cc(cc3S(=O)(=O)Cc4ccccc4)[N+](=O)[O-])c13)c5ccccc5,0.0
19893,CO-ADD:0331521,9.0,c1(ccc(CC#N)o1)C(OC)=O,0.0
19894,CO-ADD:0331493,9.0,C1(C(F)(F)F)(NC(=O)c2cccs2)C(=O)N(C(=O)N1)c3ccc(cc3)F,0.0
19895,CO-ADD:0330717,9.0,N(c1ccc(cc1)C)(COc(c23)ccc(Cl)c2)C3,0.0
19896,CO-ADD:0331685,9.0,S(=O)(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(O)=O)c2c(C)cc(cc2C)C,0.0
19897,CO-ADD:0330757,9.0,P(O)(O)(CCC(C(O)=O)NC(Cc1ccccc1)=O)=O,0.0
19898,CO-ADD:0332198,9.0,S(=O)(=O)(c1ccc(cc1)OCC)Nc(c(cccc2)c23)cc4c3oc(CCC(C)C5)c45,0.0
19899,CO-ADD:0332214,9.0,C1(C(OCCSC)=O)=C(C)NC(NC1c(ccc(c2[N+](=O)[O-])C)c2)=O,0.0
19900,CO-ADD:0332614,9.0,N1(CCCC(N)C(O)=O)C2C(NC1=O)NC(=O)N2,0.0
19901,CO-ADD:0329885,9.0,n1(c2ccc(cc2)OC)c(CCC(O)=O)ccc1c3ccc(cc3)OC,0.0
19902,CO-ADD:0327549,9.0,c(nn(c12)c(C)c(c(C)n1)C)(n2)S(=O)(=O)N3CCCCC3,0.0
19903,CO-ADD:0327318,9.0,c(cc1c(n2)ccc(C)c1)(C#N)c2Cl,0.0
19904,CO-ADD:0327703,9.0,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccs2)NC3=C1C(=O)NC(N3CCc(c4c([nH]5)cccc4)c5C)=O,0.0
19905,CO-ADD:0329498,9.0,C1(C(=O)OC(CC2)CCN2C)=Cc3c(OC1=O)ccc(Br)c3,0.0
19906,CO-ADD:0329826,9.0,c1(cnccc1C(=O)Nc2cccc(F)c2)C(O)=O,0.0
19907,CO-ADD:0331541,9.0,c1(sc(n2)c3ccc(c(OC)c3)OCC)c2sc(c4ccc(c(OC)c4)OCC)n1,0.0
19908,CO-ADD:0332246,8.99,n1c(O)cc(nc1SCC(=O)Nc(cccc2C(F)(F)F)c2)CCC,0.0
19909,CO-ADD:0331670,8.99,C(N)(C(OC)=O)(c(cc1OC)cc(c1O)OC)C(F)(F)F,0.0
19910,CO-ADD:0331534,8.99,n1(c(ccc2C(Cl)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nnn1)n2,0.0
19911,CO-ADD:0331503,8.99,C1(C(F)(F)F)(NC(=O)c2cccs2)C(=O)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
19912,CO-ADD:0332159,8.99,N(C(=O)CC(S1)C(=O)Nc(cc2)ccc2C)=C1Nc(ccc(c3C)C)c3,0.0
19913,CO-ADD:0329842,8.99,c1(C(=O)N(C)C(N2C)=O)c2nc3n1C(CC)C(c4ccccc4)=NN3CC,0.0
19914,CO-ADD:0328275,8.99,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c3ccc(c(cccc4)c34)OCC,0.0
19915,CO-ADD:0329139,8.99,C1(CN(CC)CCC1(O)c2ccc(cc2)F)C(=O)c3ccc(cc3)F,0.0
19916,CO-ADD:0330891,8.99,c12n(ncn1N)c(nn2)SCC(=O)Nc3nnc(C(C)C)s3,0.0
19917,CO-ADD:0331316,8.99,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)OC)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
19918,CO-ADD:0331348,8.99,c12c(c(n[nH]1)c3ccccc3)C(N(CCCC(O)=O)C2=O)c(cc4)ccc4[N+](=O)[O-],0.0
19919,CO-ADD:0328564,8.99,N12c(c(CCC1C)ccc3)c3Oc(cc(C#N)c(C#N)c4)c24,0.0
19920,CO-ADD:0328308,8.99,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3OC)OC)=C(O)C(N2CCN(CC4)CCO4)=O,0.0
19921,CO-ADD:0328324,8.99,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(cc4)OC)cc(c(C)c3)C,0.0
19922,CO-ADD:0329488,8.99,S(=O)(=O)(c1ccc(cc1)CC)N(CC2)CCN2c3ccccc3F,0.0
19923,CO-ADD:0326054,8.99,c12c(CCNC1c(cc3OC)cc(c3OCC#C)Br)cc(c(OCC)c2)OCC.Cl,0.0
19924,CO-ADD:0332174,8.99,n1(n2)c(NC(c3ccco3)CC1C(F)(F)F)cc2C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
19925,CO-ADD:0331762,8.99,C(C(OC)=O)(C1c2ccc(cc2)Cl)=CN(C=C1C(OC)=O)C34CC5CC(CC(C5)C3)C4,0.0
19926,CO-ADD:0330868,8.99,c12c(C(N(C)C(=O)N1C)=O)n(c(Cl)n2)CC(=O)NCc3ccccc3,0.0
19927,CO-ADD:0331542,8.99,c1(sc(n2)c3ccc(c(OC)c3)OC)c2sc(c4ccc(c(OC)c4)OC)n1,0.0
19928,CO-ADD:0331633,8.99,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5c(C)ccc(c5)[N+](=O)[O-],0.0
19929,CO-ADD:0332076,8.99,S(=O)(=O)(c1ccc(c(OC)c1)Cl)NC(c(cccc2[N+](=O)[O-])c2)CC(OCC)=O,0.0
19930,CO-ADD:0148661,8.99,c(cc1)c(C(CC(=O)N2)c(snc3c4cccc(F)c4)c23)cc1Cl,0.0
19931,CO-ADD:0149033,8.99,c1nnn(c2c(n(ccc3)c3)non2)c1c4ccc(OCC)cc4,0.0
19932,CO-ADD:0153037,8.99,CN1C=C(NC(CCC(O)=O)=O)C=C1C(NC2=CN(C)C(C(NCCN3CCOCC3)=O)=C2)=O.OC(C(F)(F)F)=O,0.0
19933,CO-ADD:0149644,8.99,CC1=C(C=C2C(N=C(CCCC3)C3=C2N)=N1)C(OCC)=O,0.0
19934,CO-ADD:0153115,8.99,CN1C=C(NC(C2=CC(NC(C)=O)=CN2C)=O)C=C1C(NC3=CN(C)C(C(NCCCN(C)C)=O)=C3)=O.OC(C(F)(F)F)=O,0.0
19935,CO-ADD:0149860,8.99,N=C(C(C1C2=C(C=CC=C2)[N+]([O-])=O)(Br)C#N)OC3=C1C(C=CC=C4)=C4C=C3,0.0
19936,CO-ADD:0149871,8.99,[H]N(CC#C)CC1=CC2=CC(OCC3=CC=CC=C3)=CC=C2N1.Cl,0.0
19937,CO-ADD:0153100,8.99,CN1C=C(NC(C2=CC(NC(C3=CC=C(Cl)C=C3Cl)=O)=CN2C)=O)C=C1C(NC4=CN(C)C(C(NCCN5CCOCC5)=O)=C4)=O.OC(C(F)(F)F)=O,0.0
19938,CO-ADD:0153060,8.99,NC1=C(CN2N=NC(CCCCO)=C2)C=NC(C)=N1,0.0
19939,CO-ADD:0140032,8.99,O=[N+](C1=CC=C(C2=CC=CC=C2N(C)C3=CC=CC=C3)C=C1)[O-],0.0
19940,CO-ADD:0149227,8.99,c(C(N)=O)(cc(OC)c(c12)OCO1)c2OC,0.0
19941,CO-ADD:0149630,8.99,CN(C(C(NC1=CC=CC=C1)=O)=C2)C(C2=C3)=CC=C3OC,0.0
19942,CO-ADD:0149811,8.99,CC1=C(C(C2=C(C=CC=C2)OC)C(C#N)=C(N)O1)C(OCC)=O,0.0
19943,CO-ADD:0149712,8.99,O=C(N1)C=CC(C#N)=C1OC,0.0
19944,CO-ADD:0149405,8.99,c(c(OC)c(OC1)c2OC1)c(c3nc(Cc(cc4)ccc4OC)no3)c2,0.0
19946,CO-ADD:0149420,8.98,c(C1C(C#N)=C(N)Oc(cc2O)c1cc2)(c(OC)c3OC)ccc3OC,0.0
19947,CO-ADD:0149436,8.98,c1c(OC)c(OCCO2)c2cc1C(NCc(c3)ccc4c3OCO4)=O,0.0
19948,CO-ADD:0137893,8.98,COC1=CC(CC=C)=C(OC)C2=C1OCO2,0.0
19949,CO-ADD:0149812,8.98,CC1=C(C(C2=CC(OC)=C(C=C2)OC)C(C#N)=C(N)O1)C(OCC)=O,0.0
19950,CO-ADD:0149813,8.98,CC1=C(C(C2=CC=C(F)C=C2)C(C#N)=C(N)O1)C(OCC)=O,0.0
19951,CO-ADD:0149652,8.98,NC1=C2C(CCC2)=NC3=C1C(C4=CC(OC)=C(O)C=C4)C(C(OCC)=O)=C(C)O3,0.0
19952,CO-ADD:0149471,8.98,c1(C(=O)OC)c(c(cc2)ccc2OC)n(c(cc3OC)cc(OC)c3OC)nn1,0.0
19953,CO-ADD:0149003,8.98,c1(nscc1N)C(=O)Nc(cccc2C(F)(F)F)c2.Cl,0.0
19954,CO-ADD:0149333,8.98,c(cc(OC)cc1)(c1C2c(cc3OC)cc4c3OCO4)NC(=O)C2,0.0
19955,CO-ADD:0149349,8.98,C(c(c1N2)ccc3c1CCCC3)(c(cc(OCO4)c4c5OC)c5)C(=C2C6)C(O6)=O,0.0
19956,CO-ADD:0149835,8.98,N#CC1=C(NC2CCN(CC3=CC=CC=C3)CC2)N=C(NC4CCC(CC5=CC=CC=C5)CC4)C(C#N)=C1C6=CC=CC=C6,0.0
19957,CO-ADD:0148582,8.98,O=C(C1=CC(OC)=CC=C1OC)CCC2=CC=C(O)C=C2,0.0
19959,CO-ADD:0148788,8.98,c1c(C(CC(=O)N2)c(snc3c4ccc(cc4)F)c23)cc(c5c1)OCO5,0.0
19960,CO-ADD:0148977,8.98,c1(nc(c2n1Cc3ccccn3)cccc2)c4nonc4NC(C)=O,0.0
19961,CO-ADD:0149153,8.98,c1(OC)c(OC)c(CC(CC(=N2)CNCCc(cc3)ccc3Cl)O2)cc(OCO4)c14.Cl,0.0
19962,CO-ADD:0148826,8.98,c(OC=C(c(cc1c(OCO1)c2OC)c2)C3=O)(c34)cc(OC)c(OC)c4,0.0
19963,CO-ADD:0149208,8.98,s1c(C2c3cc(OC)c(OC)cc3)c(NC(C2)=O)c(c1)c(c4)ccc(OC)c4OC,0.0
19964,CO-ADD:0137860,8.98,COC1=C2C(OCO2)=C(Br)C(CC3ON=C(C4=CC=C(F)C=C4)C3)=C1OC,0.0
19965,CO-ADD:0137876,8.98,COC1=C(OCO2)C2=CC(/C=C/C(N3CCCC3)=O)=C1OC,0.0
19966,CO-ADD:0149384,8.98,c(OCO1)(c1c2OC)cc(CC3CC(c(c4)cc(OC)c5c4OCO5)=NO3)c2,0.0
19967,CO-ADD:0149400,8.98,c(OC)(cc1c2[nH]nnc2c(ccc(OC)c3)c3)c(OC)c(OC)c1,0.0
19968,CO-ADD:0148739,8.98,COc(c(CO)c1)c(OC2)c(O2)c1OC,0.0
19969,CO-ADD:0148812,8.98,c(n[nH]1)c(c(ccc(OC)c2)c2)c1c(cc(OC)c(OC)c3OC)c3,0.0
19970,CO-ADD:0148919,8.98,c1(nc(c2n1CC(=O)Nc(ccc(c3F)F)c3)cccc2)c4nonc4N,0.0
19971,CO-ADD:0148983,8.98,n1c(Nc(cc2)ccc2F)scc1c3cccs3,0.0
19972,CO-ADD:0149408,8.98,c1c2c(OCO2)ccc1c3nc(c4)c(c(OC)cc4C#N)o3,0.0
19973,CO-ADD:0149204,8.98,N1=C(c2ccc(cc2)OC)CC(Cc3ccccc3)O1,0.0
19975,CO-ADD:0137856,8.98,COC1=CC(/C=C/C)=C(OC)C2=C1OCO2,0.0
19976,CO-ADD:0148743,8.97,c1(C(C)(C)C)cc(SCC2SC(N)=NC2)cc(C(C)(C)C)c1O.Cl,0.0
19977,CO-ADD:0149143,8.97,c12c(ccs1)NC(=O)CC2c(cc(OC)c3O)cc3OC,0.0
19978,CO-ADD:0148712,8.97,c1(n[nH]cc1c2ccc(cc2)OC)c3ccc(cc3O)OC,0.0
19979,CO-ADD:0148909,8.97,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(cc4OC)cc(c4OC)Br,0.0
19980,CO-ADD:0137839,8.97,ClC(C(OCO1)=C1C(OC)=C2OC)=C2C3=NOC(CO)=C3,0.0
19981,CO-ADD:0149454,8.97,c(c(C(\C=C\c(cc1OC)cc(OC)c1OC)=O)ccc2OC)c2,0.0
19982,CO-ADD:0149270,8.97,COc(c(c(O1)cc2c(c(c(n3)c4)cc(c4C5)CC5)c(c3C6)C(O6)=O)OC1)c2,0.0
19983,CO-ADD:0147063,8.97,C[Pt+]1([N+]2=CC=CC=C2)([N+]3=C(C4=CC=C3)C5=C(C6=C4N=C7C=CC=CC7=N6)C=CC=[N+]51)(C)C.F[P-](F)(F)(F)(F)F,0.0
19984,CO-ADD:0147064,8.97,[H]N([H])/N=C(C)/c1cc(/C(C)=N/N([H])[H])cc(/C(C)=NN([H])[H])c1,0.0
19985,CO-ADD:0149126,8.97,c(c1)c([nH]2)c(c(C(=O)C(=O)Nc(cc3)ccc3OC)c2)cc1Br,0.0
19986,CO-ADD:0149203,8.97,C1(C(OCC)=O)=NOC(c(cc2OC)cc(c23)OCO3)C1C,0.0
19987,CO-ADD:0137820,8.97,COC1=CC=C(NC2=NON=C2C3=NOC(NCC4=CC=C(OC)C=C4)=N3)C=C1,0.0
19988,CO-ADD:0137819,8.97,COC1=CC=C(NC2=NON=C2C3=NOC(NCC4=CC=NC=C4)=N3)C=C1,0.0
19989,CO-ADD:0137843,8.97,COC1=C(CC2ON=C(CNCC3=CC(OC)=CC=C3)C2)C=C(OC)C4=C1OCO4.Cl.Cl,0.0
19990,CO-ADD:0137678,8.97,c1(nc(c2n1Cc3ccccn3)cccc2)c4nonc4N,0.0
19991,CO-ADD:0137684,8.97,c1nnn(c2c(n(ccc3)c3)non2)c1c4ccc(OC)cc4,0.0
19992,CO-ADD:0149513,8.97,c(c(OC(N)=C(C#N)C1c(cc2c3OCO2)cc3OC)c1cc4)c4OC,0.0
19993,CO-ADD:0149410,8.97,c(c(OCO1)c12)cc(C3N(CCC4)N34)c2,0.0
19994,CO-ADD:0149190,8.97,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)cc(OCCO5)c5c4)c2)cc1,0.0
19995,CO-ADD:0149609,8.97,O=C(NC1CCN(CC2=CC=CC=C2)CC1)OCC3=CC4=CC(OCC5=CC=CC=C5)=CC=C4N3C(OC(C)(C)C)=O.OC(C(O)=O)=O,0.0
19996,CO-ADD:0149790,8.97,NC1=C2C(CCN(CC#C)C2)=NC(C1=C3)=NC(Cl)=C3C#N,0.0
19998,CO-ADD:0147068,8.97,OCC1=CC=C[N+]([Pt+]2(C)([N+]3=C(C4=CC=C3)C5=C(C6=C4N=C7CCC=CC7=N6)C=CC=[N+]52)(C)C)=C1.F[P-](F)(F)(F)(F)F,0.0
19999,CO-ADD:0149487,8.97,c(c(OCCO1)c12)c(c3n[nH]c(N)c3c(cc4)ccc4OC)cc2OC.Cl,0.0
20000,CO-ADD:0148700,8.97,c12c(C(CC(=O)N1)c3ccc(Cl)cc3)snc2c4ccc(cc4)OC,0.0
20001,CO-ADD:0149028,8.97,C(=O)(OC(C)(C)C1(C)O)N1CCc(c2c3ccc(OC)c2)c[nH]3,0.0
20002,CO-ADD:0149036,8.97,c1c(c(nc(c(ccnc2)c2)o3)n3)ccc4c1OCO4,0.0
20003,CO-ADD:0137622,8.96,c(C(c1ccccc1)=O)(c(N)c(c23)cc4c(C(CC5)CCN45)n2)s3,0.0
20004,CO-ADD:0137629,8.96,c1(C(=O)NN=Cc2cc(Cl)ccc2O)nonc1N,0.0
20005,CO-ADD:0149750,8.96,NC(C(C#N)=C1)=NC(C)=C1C(O)=O,0.0
20006,CO-ADD:0149720,8.96,CC(C(C=C1CCN(CC2=CC=CC=C2)CC1)=C3)=NC(C3=C4C5=CC=CC=C5)=NC(OCC)=C4C#N,0.0
20007,CO-ADD:0149722,8.96,NC1=C(C(N=C2OC)=NN1)C(C3=CC=CC=C3)=C2C#N,0.0
20009,CO-ADD:0148996,8.96,n1c(c(cc2)ccn2)noc1c(cc3OC)cc(c3OC)OC,0.0
20010,CO-ADD:0149076,8.96,COc(ccc(C(=N[C@@H]1c(c2)ccc(OC)c2)N[C@H]1c(c3)ccc(OC)c3)c4)c4,0.0
20011,CO-ADD:0149342,8.96,C(=O)(C(O)=C1OC)C(OC)=CC1=O,0.0
20012,CO-ADD:0137700,8.96,COc1c(OC)c(OC)cc(c2oc(Nc(c3)cc(OCO4)c4c3)nn2)c1,0.0
20013,CO-ADD:0137703,8.96,c12c(ccc(O)c1O)C=C(C=C(O)C2=O)C(OC)=O,0.0
20014,CO-ADD:0149577,8.96,NC(C(C#N)=C1)=NC(NCC=C)=C1C#N,0.0
20015,CO-ADD:0149754,8.96,NC(OC1=C2C(C=CC=C3)=C3C=C1)=C(C2C4=CC(OC)=CC=C4)C#N,0.0
20016,CO-ADD:0149761,8.96,NC(OC1=C2C(C=CC=C3)=C3C=C1)=C(C2C4=CC(OC)=C(C=C4)OC)C#N,0.0
20017,CO-ADD:0153055,8.96,CC1=NC(N)=C(CN2N=NC(CCC(O)=O)=C2)C=N1.OC(C(F)(F)F)=O,0.0
20018,CO-ADD:0153058,8.96,NC1=C(CO)C=NC(C)=N1,0.0
20019,CO-ADD:0153084,8.96,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC=CC(OC)=C3)=O)C=C1C(NC4=CN(C)C(C(NCCN5CCOCC5)=O)=C4)=O.OC(C(F)(F)F)=O,0.0
20021,CO-ADD:0148866,8.96,c1(n(CC#N)c2c(cccc2)n1)c3nonc3NC(C)=O,0.0
20022,CO-ADD:0148736,8.96,COc(c(c(c1O2)OC2)OC)c(C(c(c([nH]3)N4)c(n3)C)C(=C4C5)C(O5)=O)c1,0.0
20023,CO-ADD:0148932,8.96,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(Cc(cc3)ccc3Cl)=O)c2C,0.0
20024,CO-ADD:0149670,8.96,NC(C(C#N)=C1)=NC(NCCC2CCN(CC3=CC=CC=C3)CC2)=C1C#N,0.0
20025,CO-ADD:0140023,8.96,O=[N+](C1=CC=C(C2=CC=CC=C2NC3=CC=CC=C3)C=C1F)[O-],0.0
20026,CO-ADD:0137687,8.96,c1(nc(Nc(cc2)ccc2F)c(n3)Nc(cc4)ccc4F)c3non1,0.0
20027,CO-ADD:0149855,8.96,O=C(C(C#N)=C1C2=CC=C(C=C2)OC)OC3=C1C=CC4=C3C=CC=C4,0.0
20028,CO-ADD:0148608,8.96,OC(C(CC1=CC=CC=C1)N2C(OCC3=CC=CC=C3)=O)=C(C4=CC=CC=C4NC(C(F)(F)F)=O)C2=O,0.0
20029,CO-ADD:0149141,8.96,c1(c(NC(=O)CC1c(c2)ccc(OC)c2)cc3)s3,0.0
20030,CO-ADD:0148765,8.96,COc(c(O)c1)ccc1c([nH]c2c3c(OC)c(OC)c(OCO4)c4c3)nn2,0.0
20032,CO-ADD:0149085,8.95,c(c(ccc1Cl)c2[nH]c(ccc3N)c(c3)n2)c1.Cl.Cl,0.0
20033,CO-ADD:0153089,8.95,CN1C=C(NC(C2=CC(NC(C3=NC=C(C=CC=C4)C4=C3)=N)=CN2C)=O)C=C1C(NC5=CN(C)C(C(NCCCN(C)C)=O)=C5)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
20034,CO-ADD:0149626,8.95,CN(C(C(O)=O)=C1)C(C1=C2)=CC=C2OC,0.0
20035,CO-ADD:0153095,8.95,CN1C=C(NC(C2=CC=C(/C=C/C3=CC=C4C(C=CC=C4)=C3)C=C2)=O)C=C1C(NC5=CN(C)C(C(NCCN6CCOCC6)=O)=C5)=O.OC(C(F)(F)F)=O,0.0
20036,CO-ADD:0149735,8.95,CN1C(C2C3=C(N=C(CCCCC4)C4=C3N)OC5=C2C=CC6=C5C=CC=C6)=NC=C1,0.0
20037,CO-ADD:0149303,8.95,COc(ccc(C(C(c1cc(c(c(OC)c1)OC)OC)=O)C#N)c2)c2,0.0
20038,CO-ADD:0149361,8.95,c(OCO1)(c1c2OC)cc(\C=C(\c(cc(OC)c(OC)c3OC)c3)/C#N)c2,0.0
20039,CO-ADD:0149290,8.95,c(C(CC1)CCN1)(nc2c(cc3OC)cc4c3OCO4)on2,0.0
20040,CO-ADD:0149009,8.95,c1(N)nn(C(=O)c(cc(c2OC)OC)cc2OC)c3c1c(C)cc(n3)C,0.0
20041,CO-ADD:0140022,8.95,O=[N+](C1=CC=C(C2=CC=CC=C2NC3=CC=CC=C3)C(Cl)=C1)[O-],0.0
20042,CO-ADD:0135714,8.95,N(CCOCC=C)(CC)CC,0.0
20043,CO-ADD:0135642,8.95,[H]n1cc(C(CCN2C)C2)c(ccc3)c1c3,0.0
20044,CO-ADD:0135747,8.95,n1cccc(NC(C(C)C)=O)c1,0.0
20045,CO-ADD:0136646,8.95,n1cccc(C(=O)N2CCN(CC2)c(c(ccc3)Cl)c3)c1,0.0
20046,CO-ADD:0135849,8.95,c1c(c(ccc1)sc2SCC(O)=O)n2,0.0
20047,CO-ADD:0136410,8.95,Brc(ccc(C(=Cc(c1)cccn1)C#N)c2)c2,0.0
20048,CO-ADD:0136418,8.95,[O-][n+]1ccc(CC(C(F)(F)F)(O)C(F)(F)F)cc1,0.0
20049,CO-ADD:0136674,8.95,C1(=C(C(=C/C=C/c2ccccc2)C(Cl)=C1Cl)Cl)Cl,0.0
20050,CO-ADD:0136495,8.95,c1(C)ccc(C2N(Cc3ccccc3)C=C(C#N)C=C2)cc1,0.0
20051,CO-ADD:0135894,8.95,[H]N1C2(c3c(cccc3)CC2)C(=O)N([H])C1=O,0.0
20052,CO-ADD:0135825,8.95,c1c(c2cc(O)c(C)cc2O)c(O)cc(C)c1O,0.0
20053,CO-ADD:0136444,8.95,o1c(C(=O)NC(=S)Nc(cc(O)cc2)c2)ccc1,0.0
20054,CO-ADD:0135950,8.95,O=C(N(C(C1CS2)C2CCCCC(O)=O)[H])N1[H],0.0
20055,CO-ADD:0136690,8.95,n1cnc(c(c1Cl)n2)n(Cc(ccc(C(OC)=O)c3)c3)c2,0.0
20056,CO-ADD:0136779,8.95,c1ccc(N(CC2CN(CCC23)CC3)c(cccc4)c4S5)c5c1,0.0
20057,CO-ADD:0136644,8.95,N1(C(=S)c(ccc(OC)c2)c2)CCN(CC1)c(c(C)ccc3)c3,0.0
20058,CO-ADD:0136572,8.95,c1c(OC)c(O)ccc1C(=O)C(=O)c2ccc(O)c(OC)c2,0.0
20059,CO-ADD:0136672,8.95,Clc(c1)cc(c(c1c(C(OCC)=O)cc2c(c3)cccn3)n2)Cl,0.0
20060,CO-ADD:0136801,8.95,C1CS(=O)(CC1N(c2ccccc2)N=Cc3occc3)=O,0.0
20061,CO-ADD:0136242,8.95,O=C(N(C)C(C(NC(NCC=C)=S)=C1N)=O)N1C,0.0
20062,CO-ADD:0136338,8.95,n1c(c(ccc1)c(NC(C)=O)c(OC)c2)c2NC(C)=O,0.0
20063,CO-ADD:0136155,8.95,c1(C)cc(C=C(/C#N)C(OCC)=O)ccc1,0.0
20064,CO-ADD:0136275,8.95,O=C1C(C)=CC(C(C)(C(O)=O)C=CC2C(C)=O)C2C1(C)O,0.0
20065,CO-ADD:0136052,8.95,N1([H])C(N)=CC(N=C1N2CCN(C)CC2)=O,0.0
20066,CO-ADD:0136068,8.94,C(COCC(CN(c(cccc1)c1)C2=O)O2)#C,0.0
20067,CO-ADD:0136704,8.94,N1(C(=S)c(ccc(OC)c2)c2)CCN(CC1)c(cc(cc3)Cl)c3,0.0
20068,CO-ADD:0136968,8.94,O(CC)C(c1nc(sc1)c2ccc(COC(c3ccccc3)=O)o2)=O,0.0
20069,CO-ADD:0136320,8.94,O(CC1CN([H])C(=S)O1)c(cc(C(F)(F)F)cc2)c2,0.0
20070,CO-ADD:0137272,8.94,O=C1[C@@](O)(C)C2(CC2)C(C)=C([C@@](O)(C3(C)C)[H])C1=C3,0.0
20071,CO-ADD:0137212,8.94,O=Cc1c(c(C(Oc(c(C)c(O)c(C(=O)O2)c3C2O)c34)=O)c(C)cc1OC)O4,0.0
20072,CO-ADD:0135917,8.94,N1=C(N)N([H])c(c(C1=S)n2)n(CCC)c2,0.0
20073,CO-ADD:0136057,8.94,c1c(NC(=S)Nc(ccc(O)c2)c2)cccc1,0.0
20074,CO-ADD:0136129,8.94,C1CCCCN1NC(NN(CCCC2)C2)=O,0.0
20075,CO-ADD:0136405,8.94,O=C(C(OC)C(O)(C1(C)C(CC=C(C)/C)O1)C23CO2)CC3,0.0
20076,CO-ADD:0136449,8.94,S1CC(Nc2ccccc2)=C(C(Nc(cccc3)c3)=O)C1,0.0
20077,CO-ADD:0135622,8.94,S=C1N([H])C(=C2C=N1)N([H])C(=S)N2[H],0.0
20078,CO-ADD:0136609,8.94,N(=Nc(c(C)cc(N)c1)c1)c(c(S(N)(=O)=O)cc(C)c2)c2,0.0
20079,CO-ADD:0136812,8.94,C1=CC=C2N(C(=NC(C)=N2)N=C3C(Cl)(Cl)Cl)C1=N3,0.0
20080,CO-ADD:0136906,8.94,n1cc(N)c(N)nc1Nc(ccc(c2)Br)c2.S(O)(=O)(O)=O,0.0
20081,CO-ADD:0136994,8.94,c1cc(ccc(N=Nc2ccc(Br)cc2)n3)c3cc1,0.0
20082,CO-ADD:0135603,8.94,N1(C)CC(CCCO2)C2(O)CC1,0.0
20083,CO-ADD:0136357,8.94,Clc(cc1c2c(C#N)c3c(ccc(OC)c3)n1)cc2,0.0
20084,CO-ADD:0136102,8.94,c1ccc(cc(c2cncnc2N)cc3)c3c1,0.0
20085,CO-ADD:0136025,8.94,O=C1N(C(=S)N([H])C(=O)C1(CC)CC=CC)[H],0.0
20086,CO-ADD:0135953,8.94,N(=C(C)/C)/C(C(O)C(OC)O1)C1CO,0.0
20087,CO-ADD:0135826,8.94,C1(CC(O)=O)(CC(O)=O)CC(C)CCC1,0.0
20088,CO-ADD:0136118,8.94,n1cn(C)c(Sc2n([H])cnn2)c1[N+](=O)[O-],0.0
20089,CO-ADD:0136222,8.94,O=C1C(=Cc(cc(OC)c(OC)c2OC)c2)CCO1,0.0
20090,CO-ADD:0136334,8.94,O=C(N(C)c(c1C2=O)nc(Cc(ccc(N)c3)c3)n1C)N2C,0.0
20091,CO-ADD:0135994,8.94,n1c(C(NN)=O)c(c(csn2)n2)sn1,0.0
20092,CO-ADD:0137099,8.94,c1(O)ccc(Sc(c(C)ccc2NCCN(C)C)c2C3=O)c3c1.I,0.0
20093,CO-ADD:0136350,8.94,c1(N)ccc(N=Nc(ccc(OCCCC)n2)c2)c(N)n1,0.0
20094,CO-ADD:0136679,8.94,C1(=O)C(=Cc(ccc([N+](=O)[O-])c2)c2)CCc3c1cccc3,0.0
20095,CO-ADD:0136408,8.94,N1(CCN(CC1)c(ccn2)c(N)c2)c3cc(C)ccc3C,0.0
20096,CO-ADD:0136496,8.94,n1ccc(C(NC2CC(C)CCC2C(C)C)=O)cc1,0.0
20097,CO-ADD:0136616,8.94,[H]n1c(cccc2)c2c(cc(C(Nc(ccc(c3)Cl)c3)=O)c4O)c1c4,0.0
20098,CO-ADD:0136576,8.94,O=C1C[C@]2([C@@]([C@]([C@@]3(c4c5cccc4)CC6)([H])N15)([C@@](C[C@]3([H])[N+]67[O-])(C(=CCO2)C7)[H])[H])[H],0.0
20099,CO-ADD:0136457,8.94,N(C)(C)S(Nc1cc(Br)ccc1)(=O)=O,0.0
20100,CO-ADD:0136409,8.94,O=C(C=C(C)C(O)(C=CC(=CC(O)=O)C)C1(C)C)C1,0.0
20101,CO-ADD:0137199,8.93,O=C(C=CC([C@@H]1C[C@@H](C)O2)O1)[C@H](C)C[C@H](CC=O)[C@@H]([C@@H](OC)[C@H](OC(C)=O)CC2=O)OC3C(O)C(N(C)C)C(C(C)O3)OC4CC(O)(C)C(OC(CC(C)C)=O)C(C)O4,0.0
20102,CO-ADD:0135646,8.93,n1c(N)nc(c2c1)nc(N)n2[H],0.0
20103,CO-ADD:0137111,8.93,O(c(ccc(NC(=O)Nc(ccc([N+](=O)[O-])c1)c1)c2)c2)c(ccc3NC(Nc(ccc([N+](=O)[O-])c4)c4)=O)cc3,0.0
20104,CO-ADD:0137159,8.93,Fc(ccc1)c(C(=O)N=C(N(C(=C2)c(ccc(c3)Br)c3)c(cc(C)c4)c(C)c4)/S2)c1,0.0
20105,CO-ADD:0136635,8.93,n1c(N)nc(Nc(ccc(c2)Br)c2)c(C#N)c1N,0.0
20106,CO-ADD:0135943,8.93,N1=C(SCC)N([H])C=C(C(OCC)=O)C1=O,0.0
20107,CO-ADD:0136313,8.93,Clc1ccc(SCNc2ccccc2Cl)cc1,0.0
20108,CO-ADD:0136702,8.93,c1c(NC(=O)N(O)C2(C#N)CCCCC2)ccc(OCC)c1,0.0
20109,CO-ADD:0136710,8.93,O(CCOc(ccc([N+](=O)[O-])c1)c1)c(ccc(NC(C)=O)c2)c2,0.0
20110,CO-ADD:0136934,8.93,n1([H])c(c2ccccc2)c(C(=O)OC)c(C(OC)=O)c1c3c(ccc4)c(ccn3)c4,0.0
20111,CO-ADD:0136998,8.93,N1(C(=S)c2ccc(OC)c(OC)c2)CCN(CC1)c(c(ccc3)Cl)c3,0.0
20112,CO-ADD:0137089,8.93,n1c(N)nc(Nc2ccc(cc2)Br)c(C=Nc(ccc(c3)Br)c3)c1N,0.0
20113,CO-ADD:0136316,8.93,O(C(CC1)C(C)(C(=O)N2c3sccn3)C4(C)C2=O)C14,0.0
20114,CO-ADD:0135677,8.93,N1=CN([H])c(c(C1=S)n2)n(C(C)C)c2,0.0
20115,CO-ADD:0135693,8.93,O=C1C=C(COCC)N([H])C(SC)=N1,0.0
20116,CO-ADD:0135725,8.93,C(=CCCC(=C/C(N)=O)C)(/C)C,0.0
20117,CO-ADD:0137062,8.93,C1CCN(CC(C)(OC(C)(C)C(NC(C(c2ccccc2)c3ccccc3)=O)C4)C4)C1,0.0
20118,CO-ADD:0135694,8.93,c1cn2c(nc(c3ccccc3)c2)cc1,0.0
20119,CO-ADD:0136948,8.93,Clc(c(ccc1C(NC(C)c(cc2)ccc2c(cccc3)c3)=O)Cl)c1,0.0
20120,CO-ADD:0136805,8.93,c1(OC(C)=O)cc(CC(C(OC)=O)(C)N2)c2cc1OC(C)=O,0.0
20121,CO-ADD:0136821,8.93,[As](O)(O)(=O)c(cc([N+](=O)[O-])c1)c(c2ccccc2)c1,0.0
20122,CO-ADD:0136749,8.93,o1c(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N)cc2)ccc1,0.0
20123,CO-ADD:0136047,8.93,n1c2c(C(NC(N2)=O)=O)cc(cc(C)c3C)c1c3,0.0
20124,CO-ADD:0137232,8.93,O(C1C2(C(C=CC2=O)C(C(O[H])C(OC(=O)C3C)C13)C)C)C(=O)C=C(/C)C,0.0
20125,CO-ADD:0137167,8.93,O1C(C)(C)C=Cc(c1c(CC=C(C)/C)c2O)c(c2C(C(=C3)c4cc(O)c(O)cc4)=O)O3,0.0
20126,CO-ADD:0137058,8.93,c1cc(NC(c2cc(C(Nc3cccc([N+](=O)[O-])c3)=O)ccc2)=O)cc([N+](=O)[O-])c1,0.0
20127,CO-ADD:0137138,8.93,C1N2C3C4(C(N(C(C5)=O)c(cc(OC)c6OC)c4c6)C(C57)C(C(=CCO7)C2)C3)C1.CC(CC(C(O)=O)NC=O)C,0.0
20128,CO-ADD:0135682,8.93,n1cc(CC)ccc1C=C(/C)CCC,0.0
20129,CO-ADD:0136040,8.93,n1c(c(ccc2)nc(C)c1N3CCCC3)c2,0.0
20130,CO-ADD:0135817,8.93,c1c(cncc1)c(sc2N)nn2,0.0
20131,CO-ADD:0245876,8.92,C1(C(=O)N\N=C\c(ccc(c23)OCO2)c3)CC1C(=O)N\N=C\c(ccc(c45)OCO4)c5,0.0
20132,CO-ADD:0157765,8.92,O=C1N(/N=C/C2=C(O)C=C(O)C=C2)C(C)=NC3=C1C=CC=C3,0.0
20133,CO-ADD:0157832,8.92,O=C1/C(N=C(C2=CC=CC(Cl)=C2)O1)=C/C3=CC=C(C)O3,0.0
20134,CO-ADD:0241940,8.92,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C(/C)\C=C\c(ccc(c23)OCO2)c3,0.0
20135,CO-ADD:0157521,8.92,O=S(C(C(S(=O)(CC)=O)=C(C(C1=CC=C(C)C=C1)=O)N2C=C3)=C2C=C3C4=CC=NC=C4)(CC)=O,0.0
20136,CO-ADD:0241848,8.92,C(=N/Nc(n1)nc(nc1Nc2ccccc2)Nc3ccccc3)(/c4c(N5)cccc4)\C5=O,0.0
20137,CO-ADD:0157053,8.92,N#CC1=C(SCC(NC2=NN=C(CC)S2)=O)N=C(C(C#N)=C1)N,0.0
20138,CO-ADD:0157036,8.92,N#CC1=C(SCC(NCC2=CC=CC=C2)=O)N=C(C3=CC=CS3)C=C1C4=CC=CC=C4,0.0
20139,CO-ADD:0157060,8.92,N=C1/C(C(N)=NN1)=N\NC2=C(C)C=C(C)C=C2,0.0
20140,CO-ADD:0157085,8.92,N#CC(C(C(C=C1Br)=CC=C1F)C(C2=O)=C(C=C(C)O2)O3)=C3N,0.0
20141,CO-ADD:0157333,8.92,O=C1NC(C(Br)=CC(Br)=C2)=C2/C1=N\NC(COC3=CC(C)=CC=C3C(C)C)=O,0.0
20142,CO-ADD:0157349,8.92,O=C(C1=CC=C(F)C=C1)NC2=CC=CC(C(N/N=C/C3=CC=CO3)=O)=C2,0.0
20143,CO-ADD:0156981,8.92,N#CC1=C(N)S[C@@H](C(C2=CC=CC=C2)=O)[C@@H]1C(C=C3)=CC=C3OC,0.0
20144,CO-ADD:0240183,8.92,c12c(cccc1\N=C\c3cccc(O)c3)C(=O)NNC2=O,0.0
20145,CO-ADD:0240314,8.92,N1(CCSC1c(ccc(c2[N+](=O)[O-])OC)c2)C(=O)c(cc3)ccc3[N+](=O)[O-],0.0
20146,CO-ADD:0242076,8.92,c1(NC(=O)c(cccc2NC(=O)C(F)(F)F)c2)sc(c3c1C(N)=O)CCCC3,0.0
20147,CO-ADD:0157642,8.92,S=C1N(C(C)C)C(C(C)(C)S1)N2C(N(C(O2)=O)C3=CC(Cl)=CC=C3)=O,0.0
20148,CO-ADD:0157258,8.92,O=C(CCC(N/N=C/C1=CC(Br)=CC=C1)=O)NC2=C(C)C(Cl)=CC=C2,0.0
20149,CO-ADD:0240363,8.92,N1(C(C)=O)N=C(CC1(O)c(cccn2)c2)C(F)(F)F,0.0
20150,CO-ADD:0244484,8.92,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cc(Cl)cc(Cl)c3OC,0.0
20151,CO-ADD:0244735,8.92,N(\C(=C/c(cccc1[N+](=O)[O-])c1)\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
20152,CO-ADD:0157394,8.92,OC1=CC(/C=N/NC2=NC(N3CCOCC3)=NC(N4CCCC4)=N2)=CC=C1OC,0.0
20153,CO-ADD:0217432,8.92,N(\C(=C/c(ccc1c2ccc(cc2)Cl)o1)\C(O3)=O)=C3c(ccc(c45)OCO4)c5,0.0
20154,CO-ADD:0216841,8.92,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(ccc(c2OCC)OCc(cc3)ccc3Cl)c2,0.0
20155,CO-ADD:0217641,8.92,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c2ccco2,0.0
20156,CO-ADD:0241300,8.92,C1(=S)N\C(\C2(CCCCC2)N1c3ccccc3Cl)=N/c4cccc(C)c4,0.0
20157,CO-ADD:0241989,8.92,C(C#N)(C1c2ccc(cc2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cccc4C(F)(F)F)c4,0.0
20158,CO-ADD:0245699,8.92,c1(ncnc2NCCc3ccccc3)c2c(c(C)s1)C,0.0
20159,CO-ADD:0244631,8.92,C(O\N=C\c(cc1)ccc1Br)(=O)c2cccc(C)c2,0.0
20160,CO-ADD:0241229,8.92,C(=C\c(ccc(c1OC)OCc2ccccc2)c1)(/C3=O)\C(=O)OC(C)(C)O3,0.0
20161,CO-ADD:0244898,8.92,C1(C2NC(=S)N1)N(C(c(c3)cccc3)C)C(=O)N2,0.0
20162,CO-ADD:0241783,8.92,C1(C#N)(C#N)[C@H](c2ccc(cc2)Br)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C(C)(C)C,0.0
20163,CO-ADD:0244890,8.92,C1(C2N(CC)C(=O)N1CC)N(C)C(=O)N2C,0.0
20164,CO-ADD:0245004,8.92,c1(C(=O)Oc2ccccc2\C=N\NC(=O)c3ccccc3OC)c(Cl)c4c(cccc4)s1,0.0
20165,CO-ADD:0244319,8.92,C1(=O)Nc(c2N1)ccc(c2)\N=C\c(cc3)cc(c3OC(C)=O)OC,0.0
20166,CO-ADD:0244709,8.92,C(Cl)(Cl)(Cl)C(=O)OC(c1ccccc1)Nc(cc2)ccc2Br,0.0
20167,CO-ADD:0244695,8.92,C(=O)(c1ccco1)Nc2c(O)ccc(Cl)c2,0.0
20168,CO-ADD:0241522,8.92,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)NC3CC3,0.0
20169,CO-ADD:0157094,8.92,O=C(C)CN1C2=NON=C2N(CC(C)=O)C3=NON=C31,0.0
20170,CO-ADD:0241508,8.91,C(=O)(C\C(\C)=N\NC(=O)c1ccc(c2c1)cccc2)Nc3ccc(cc3C)Cl,0.0
20171,CO-ADD:0157310,8.91,O=C1C2=C(CCC1)OC(CCC3)=C(C3=O)C2CC(C)C,0.0
20172,CO-ADD:0244434,8.91,n(C)(c(C)nn1)c1C,0.0
20173,CO-ADD:0157221,8.91,ClC1=CC=CC(N(C(C2=CC=C(Cl)C=C2)C3)N=C3C4=CC=C(Br)C=C4)=C1,0.0
20174,CO-ADD:0242340,8.91,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c2ccc(cc2)Cl,0.0
20175,CO-ADD:0245351,8.91,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)N\N=C\c(c(Cl)ccc4[N+](=O)[O-])c4,0.0
20176,CO-ADD:0157229,8.91,O=C(N/N=C/C1=CC(O)=C(O)C=C1)/C(NC(C2=CC=CC=C2)=O)=C\C3=CC=CC=C3,0.0
20177,CO-ADD:0245321,8.91,C(=C/c(ccc(c1OC)OCc(cc2)ccc2[N+](=O)[O-])c1)(/C3=O)\Sc(c34)cccc4,0.0
20178,CO-ADD:0242247,8.91,C(=C/c(cc1)cc(c1N(C)C)Br)(/C2=O)\C(=O)c(c23)cccc3,0.0
20179,CO-ADD:0242500,8.91,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCCNC(=O)c2ccccc2F,0.0
20180,CO-ADD:0163558,8.91,C(COc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2Br,0.0
20181,CO-ADD:0157426,8.91,O=C(/C1=C/C2=C(Cl)C=C(Cl)C=C2)N(N=C1C)C(C=C3)=CC=C3Br,0.0
20182,CO-ADD:0246035,8.91,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5)ccc5C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
20183,CO-ADD:0241227,8.91,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4)ccc4N(C)C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
20184,CO-ADD:0244754,8.91,c1(NC(COc(ccc(c23)cccc2)c3)=O)sc(c4c1C#N)CCCC4,0.0
20185,CO-ADD:0157695,8.91,N#CC1=C(SCC(C2=CC=CC=C2)=O)N=C(C3=CC=CC=C3)C=C1C4=CC=CC=C4,0.0
20186,CO-ADD:0240282,8.91,c1(nonc1N)\C(=N\OCc2ccccc2[N+](=O)[O-])\Nc(cc3)ccc3C,0.0
20187,CO-ADD:0216897,8.91,c1(N(C)C)ccc(cc1Br)\C=N\NC(CSCc2ccccc2C)=O,0.0
20188,CO-ADD:0217383,8.91,n1c2c(sc1c3ccc(cc3)\N=C\c4c(C)cc(cc4O)O)ccc(C)c2,0.0
20189,CO-ADD:0244637,8.91,S(=O)(=O)(c1ccc(cc1)Cl)c2ccc(cc2)OC(C)=O,0.0
20190,CO-ADD:0244256,8.91,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3cccc(C)c3)c1,0.0
20191,CO-ADD:0241032,8.91,C(C#N)(C1c2scc(Br)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
20192,CO-ADD:0240997,8.91,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
20193,CO-ADD:0245819,8.91,C(=N/c1ccccc1)(/SC(C2=O)CC(=O)Nc3ccccc3C)\N2C,0.0
20194,CO-ADD:0245952,8.91,N1C(=O)\C(\SC1=S)=C/c(cc2I)cc(c2OC)I,0.0
20195,CO-ADD:0241721,8.91,C(\C(\CC(C1)C(C)(C)C)=C\c2cccc(Cl)c2)(O3)=C1C(C(C#N)=C3N)c4cccc(Cl)c4,0.0
20196,CO-ADD:0245720,8.91,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc2)ccc2OCC)c3ccc(cc3C)Cl,0.0
20197,CO-ADD:0244336,8.91,C(NC(C)(C)C)(C1(CCCCC1)OC2=O)=C2,0.0
20198,CO-ADD:0245044,8.91,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(c2c([nH]3)cccc2)c3)n4c(cccc4)c1S(CCC)(=O)=O,0.0
20199,CO-ADD:0244942,8.91,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n1,0.0
20200,CO-ADD:0241922,8.91,c1(C2=O)c(sc(COC(C)(C)C3)c13)N(c4n2nnn4)C,0.0
20201,CO-ADD:0157118,8.91,O=C(C1=CC=CC=C1C)NC2=CC=CC(C(N/N=C/C3=CC=C(C(OC)=C3)O)=O)=C2,0.0
20202,CO-ADD:0241502,8.91,C(=O)(N\N=C(/C)\CC(=O)NCc1ccccc1OC)C(=O)Nc2ccc(cc2OC)OC,0.0
20203,CO-ADD:0157215,8.91,[O-][N+](C(C=C1OC)=CC=C1NC(COC2=CC=CC(C)=C2)=O)=O,0.0
20204,CO-ADD:0157104,8.91,O=C(CSC1=NC(C=CC=C2)=C2N1)NC3=NC=CC=N3,0.0
20205,CO-ADD:0240514,8.91,c(cc(C(=O)Nc(cc1)ccc1Cl)cc2[N+](=O)[O-])([N+](=O)[O-])c2Nc(cc3)ccc3C,0.0
20206,CO-ADD:0244544,8.91,C1(=O)C(n(ccn2)c2)CC(=O)N1N(C)C,0.0
20207,CO-ADD:0245851,8.91,c12c(ccc(NC(=O)c3ccccc3C(O)=O)c1Oc(cc4)ccc4C(C)(C)C)C(=O)c(c5C2=O)cccc5,0.0
20208,CO-ADD:0240757,8.91,c1(N\N=C\c(ccc(c2C)O)c2O)nc(c3ccccc3)cc(c4ccc(c(OC)c4)OC)n1,0.0
20209,CO-ADD:0240336,8.9,n1c(Nc(ccc(c2C)C)c2)scc1c3cc(C)ccc3C.Br,0.0
20210,CO-ADD:0240320,8.9,C(=O)(N(CC1)CCN1C)c(cc2OC)cc(c2OC)OC.Cl,0.0
20211,CO-ADD:0242717,8.9,C1(C(OCC)=O)=C(C(Br)Br)NC(=O)NC1c2ccc(cc2)OC,0.0
20212,CO-ADD:0241025,8.9,C1(NS(=O)(=O)c2c(C(C)C)cc(cc2C(C)C)C(C)C)=C(C)N(N(c3ccccc3)C1=O)C,0.0
20213,CO-ADD:0242308,8.9,n(c1c(n2)cccc1)(c3N)c2c(c(c(cc4)ccc4C(C)C)c3C#N)C#N,0.0
20214,CO-ADD:0158103,8.9,O=S(N(C(C=C1Cl)=CC=C1C)CC(N/N=C/C2=CC=CC=C2OCCCCCCC)=O)(C3=CC=CC=C3)=O,0.0
20215,CO-ADD:0157727,8.9,O=C(N1)/C(C2=C1C=CC(Br)=C2)=N\NC(COC3=CC=CC=C3C)=O,0.0
20216,CO-ADD:0157383,8.9,O=C(N/N=C/C1=CC(OCC)=C(OCC=C)C=C1)C(NC2=CC=C(OCC)C=C2)=O,0.0
20217,CO-ADD:0157431,8.9,O=C(CC)NC1=CC(C(C)C)=C(O)C=C1C,0.0
20218,CO-ADD:0158112,8.9,O=C(N/N=C(C)/CC(NC1=C(C)C(Cl)=CC=C1)=O)C2=CC=CC=C2N,0.0
20219,CO-ADD:0156964,8.9,N#CC1=C(SC/C=C/C2=CC=CC=C2)N=C(CC)C(C)=C1,0.0
20220,CO-ADD:0216925,8.9,n1c(c2ccc(cc2)I)csc1Nc(cc3)ccc3Cl,0.0
20221,CO-ADD:0217149,8.9,C(\C(\CC1)=C\c(cc2)ccc2Cl)(O3)=C1C(C(C#N)=C3N)c4ccc(cc4)Cl,0.0
20222,CO-ADD:0217296,8.9,N1(CNc2cccc(F)c2)C(=O)\C(\SC1=O)=C\c3ccc(C)o3,0.0
20223,CO-ADD:0241017,8.9,C(=O)(Nc(cc1)ccc1OCc2ccccc2)CCN(CC3)CCN3C,0.0
20224,CO-ADD:0245002,8.9,c1(scc(c2ccc(cc2)OC)n1)NC(=O)c(cccn3)c3,0.0
20225,CO-ADD:0242902,8.9,C(N)(=O)N\N=C(/C)\CCc(cc1)ccc1O,0.0
20226,CO-ADD:0242927,8.9,C(F)(F)(C(F)(F)F)C(SC\C=C\NC(=S)Nc1sccn1)C(C(F)(F)F)C(F)(F)F,0.0
20227,CO-ADD:0244353,8.9,C(N(CCC)CCC)(=S)Oc(cc1)ccc1C(=O)Nc(cc2)ccc2C,0.0
20228,CO-ADD:0241004,8.9,c1(C(=O)c2ccc(cc2)F)oc(c3c1NC(C)=O)cccc3,0.0
20229,CO-ADD:0244854,8.9,C(N(C)C(=O)N1C)(C1N2)N=C3N2C(=O)\C(=C\c(c(Cl)cc(Cl)c4)c4)\S3,0.0
20230,CO-ADD:0240500,8.9,C(C(OCC)=O)(=C1C)\C(=C\c2ccccc2)\C(N1CC=C)=O,0.0
20231,CO-ADD:0242659,8.9,N1(CC=C)C(=O)C2C(C(c3ccccc3)C=CC2c4ccccc4)C1=O,0.0
20232,CO-ADD:0244329,8.9,c1(nc(ccc(c2)Br)c2c(c3ccccc3)n1)N(\N=C/c(ccc4[N+](=O)[O-])o4)C(c5ccccc5)=O,0.0
20233,CO-ADD:0242213,8.9,C(=O)(C1CCCN1CCC(C)C)Nc2c(C)cc(cc2C)C.Cl,0.0
20234,CO-ADD:0242181,8.9,c12n(c(nn1)SCCSCC)ncn2N,0.0
20235,CO-ADD:0240745,8.89,C(N)(=O)N\N=C\c1ccccc1OC,0.0
20236,CO-ADD:0240847,8.89,C1(C2=O)C(C(=NN1c3ccccc3Cl)C(C)=O)C(N2c4ccccc4)=O,0.0
20237,CO-ADD:0163278,8.89,C(CNc(cc1)ccc1C)(=O)N\N=C\c2cccc(cccc3)c23,0.0
20238,CO-ADD:0163030,8.89,c12c(oc(COC(C)(C)C3)c13)nc(SC(C)C)nc2SC(C)C,0.0
20239,CO-ADD:0240340,8.89,N1(c2cccc(c2)c3csc(Nc(cc4)ccc4F)n3)C(=O)c5c(cccc5)C1=O.Br,0.0
20240,CO-ADD:0240633,8.89,c12c(c3c(cccc3)c(cccc4)c14)nc(ccc5C(NCCC)=O)c(c5)n2,0.0
20241,CO-ADD:0163078,8.89,N(CN(CC1(\C(\c2ccccc2)=N/N)CN3S(=O)(=O)c4ccc(cc4)C)C3)(C1)S(=O)(=O)c5ccc(cc5)C,0.0
20242,CO-ADD:0217445,8.89,c1(ccc(\C=N\NC(COc2ccc(cc2Br)OC)=O)o1)c3ccc(cc3Cl)Cl,0.0
20243,CO-ADD:0217137,8.89,C12(c3c(NC1=O)cccc3)C(C(C)=O)=C(C)OC(N)=C2C(=O)OCc4ccccc4,0.0
20244,CO-ADD:0217317,8.89,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(CNc(ccc(c34)cccc3)c4)=O)o1,0.0
20245,CO-ADD:0217045,8.89,N(C(CSCc(cc1)ccc1Cl)=O)c2ccc(cc2C)C,0.0
20246,CO-ADD:0216969,8.89,S(=O)(=O)(c1ccc(cc1)C)N(C)CC(NCC)=O,0.0
20247,CO-ADD:0242820,8.89,C(C#N)(C1c2ccc(cc2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
20248,CO-ADD:0242195,8.89,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
20249,CO-ADD:0242206,8.89,n1c(c2)c([nH]c1c3ccc(cc3)NC(=O)C(C)=C)ccc2C(=O)C(C)=C,0.0
20250,CO-ADD:0245794,8.89,N1(c2ccc(cc2)OCC)C(=O)C3C(C(C=C4)C5C(=C(c6ccccc6)CC(C5C7=O)C(N7c8ccc(cc8)OCC)=O)C34)C1=O,0.0
20251,CO-ADD:0246025,8.89,N1(c2ccc(cc2)OC)C(=O)c(c3C1=O)ccc(c3)C(=O)N4CCCCCC4,0.0
20252,CO-ADD:0245719,8.89,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(NCCc(cc3)ccc3Cl)=O,0.0
20253,CO-ADD:0244862,8.89,C(N(C)C(=O)N1C)(C1N2)N3C(S\C(=C/c(c(Cl)c4)ccc4Cl)\C3=O)=N2,0.0
20254,CO-ADD:0241284,8.89,[nH]1c(cccc2)c2c(CCNC(=O)C(C)(C)C)c1,0.0
20255,CO-ADD:0244394,8.89,N1C(=S)NN=C1c2cccc(Br)c2,0.0
20256,CO-ADD:0245680,8.89,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(N)c3)n1,0.0
20257,CO-ADD:0241489,8.89,N1(c2ccc(cc2C)C)C(=O)C(C(C(C34)C(=C5c6ccccc6)C(C=C3)C(C4C7=O)C(N7c8ccc(cc8C)C)=O)C1=O)C5,0.0
20258,CO-ADD:0163532,8.89,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc(cc2)ccc2C)=O)c3ccco3,0.0
20259,CO-ADD:0244378,8.89,S1(=O)(=O)c2c(C(NCCSC(C)(C)C)=N1)ccc(c2)[N+](=O)[O-],0.0
20260,CO-ADD:0163572,8.89,c1(O)c(OC)cc(cc1Br)\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
20261,CO-ADD:0163036,8.89,c1([N+](=O)[O-])c(C)sc(CCCCC(O)=O)c1N,0.0
20262,CO-ADD:0244370,8.89,C(=S)(c1ccc(cc1)OC(=O)c2ccc(cc2)Cl)N(CC3)CCO3,0.0
20263,CO-ADD:0242240,8.89,c1(ccc(\C=N\n(c2)cnn2)o1)c3ccc(cc3Cl)Cl,0.0
20264,CO-ADD:0163223,8.89,c(cc(s1)C)(C(=O)N(N)C(=N2)C)c12,0.0
20265,CO-ADD:0240622,8.89,[N+](=O)([O-])c1ccc(cc1NCCOc2cccc(C)c2)N3CCCCC3,0.0
20266,CO-ADD:0217185,8.89,S(=O)(=O)(c1ccc(cc1)Cl)NCC(=O)NCC(NN)=O,0.0
20267,CO-ADD:0217018,8.89,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c(cc3)ccc3C(OCC)=O,0.0
20268,CO-ADD:0217015,8.89,[N+](=O)([O-])c1ccccc1\C=N\NC(CSCc2ccccc2Br)=O,0.0
20269,CO-ADD:0242198,8.88,C(=O)(Nc(cc1)ccc1OC)c2cc(OC)cc(OC)c2,0.0
20270,CO-ADD:0245685,8.88,n1(nnc(C(=O)N\N=C\c(cccn2)c2)c1CN(CC)CC)c3nonc3N,0.0
20271,CO-ADD:0244680,8.88,[N+](=O)([O-])c1ccccc1C(=O)Nc(cccn2)c2,0.0
20272,CO-ADD:0241419,8.88,c1(cc(ccc1Cl)SC)C(=O)O\N=C(/CC2)\c(ccc(c3C)O)c3C2,0.0
20273,CO-ADD:0241379,8.88,n1(c2ccccc2)nnnc1SCc(ccc(c3[N+](=O)[O-])OC)c3,0.0
20274,CO-ADD:0245493,8.88,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c3cccn3c(cc4)ccc4[N+](=O)[O-],0.0
20275,CO-ADD:0244569,8.88,n1(CN2CCCCCC2)c3c(nn1)cccc3,0.0
20276,CO-ADD:0241314,8.88,C(F)(F)(F)C(=O)CC(=O)\C=C\c1cccs1,0.0
20277,CO-ADD:0242026,8.88,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c(cc4)ccc4[N+](=O)[O-],0.0
20278,CO-ADD:0245960,8.88,[N+](=O)([O-])c(cc(cc1C(=O)N(C)C2CCCCC2)C(=O)N(C)C3CCCCC3)c1,0.0
20279,CO-ADD:0156992,8.88,N#CC1=C(SCC(NC(C=C2)=CC=C2OC)=O)N=C(N)N=C1SC,0.0
20280,CO-ADD:0157495,8.88,O=C(COC(C=C1)=CC=C1CCCC)N/N=C/C(C=CC=C2)=C2Br,0.0
20281,CO-ADD:0157527,8.88,O=C(NCC1=NC=CC=C1)NC2=CC(NC(NCC3=CC=CC=N3)=O)=CC=C2,0.0
20282,CO-ADD:0157803,8.88,[O-][N+](C1=C(O)C(/C=N/C2=CC=C3N=CC=CC3=C2)=CC(C)=C1)=O,0.0
20283,CO-ADD:0163628,8.88,N(=C(/C)\c1ccc(cc1)O)/NC(COc2ccc(cc2Br)OC)=O,0.0
20284,CO-ADD:0240575,8.88,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
20285,CO-ADD:0163644,8.88,c1(O)c(I)cc(cc1I)\C=N\NC(COc2c(C)cccc2C)=O,0.0
20286,CO-ADD:0163076,8.88,n1c2c(CCCC2)cc(C#N)c1SCC(=O)c3ccc(cc3C)C,0.0
20287,CO-ADD:0244183,8.88,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c6ccccc6)C(OCC)=O,0.0
20288,CO-ADD:0240593,8.88,C(F)(F)(F)c1cccc(c1)NC(=O)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O,0.0
20289,CO-ADD:0240167,8.88,c12c(ccc(OC)c1OC)C(OC2=O)Nc(cccc3[N+](=O)[O-])c3,0.0
20290,CO-ADD:0240963,8.88,N(C(C)(C)C1)C(C)(C)CC1(O)C#C,0.0
20291,CO-ADD:0217326,8.88,c1(Nc(cc2)ccc2[N+](=O)[O-])nc(N\N=C\c(ccc(c3OCC)OCC)c3)nc(NCc4ccccc4)n1,0.0
20292,CO-ADD:0217342,8.88,c1(oc(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
20293,CO-ADD:0216971,8.88,[N+](=O)([O-])c1ccc(cc1)\N=C\c2cc(ccc2O)Cc(ccc(c3\C=N\c(cc4)ccc4[N+](=O)[O-])O)c3,0.0
20294,CO-ADD:0216927,8.88,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(cccc3)c23)\C=N\c4ccccc4,0.0
20295,CO-ADD:0245473,8.88,c1(Nc2ccccc2)nc(N\N=C\c(cc3)ccc3OC)nc(NC)n1.Cl,0.0
20296,CO-ADD:0241037,8.88,C(F)(F)(F)c(ccc(c1\N=C\c2cccc(Cl)c2O)Oc3ccccc3)c1,0.0
20297,CO-ADD:0241397,8.88,N1(c(cc2)ccc2C(OCCCCCCC)=O)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
20298,CO-ADD:0245805,8.88,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCC(=O)Nc(cccc4C(F)(F)F)c4)N3c5ccccc5,0.0
20299,CO-ADD:0241272,8.88,S(=O)(=O)(c1ccc(cc1)Cl)N2CCSC2c(ccc(c3[N+](=O)[O-])OC)c3,0.0
20300,CO-ADD:0241366,8.88,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2ccccc2C(F)(F)F,0.0
20301,CO-ADD:0245332,8.88,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(ccc(c2OC)OC)c2)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
20302,CO-ADD:0245408,8.87,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(ccc3c4ccc(cc4Cl)Cl)o3,0.0
20303,CO-ADD:0241687,8.87,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c4cccc(Cl)c4,0.0
20304,CO-ADD:0241943,8.87,C(=O)(NCC(=O)N\N=C\c(cc1)ccc1OCc2ccccc2Cl)c(ccc(c34)OCCO3)c4,0.0
20305,CO-ADD:0157468,8.87,O=S1(N=C(C2=C1C=CC=C2)NC(C=C3)=CC=C3C)=O,0.0
20306,CO-ADD:0157911,8.87,NC1=C(C(C=C2OC)=CC=C2OC)C(C3=CC=CC=C3)=NN1CC4=CC=CC=C4,0.0
20307,CO-ADD:0157768,8.87,O=C(NCC(N/N=C/C1=CC=C(Br)C=C1)=O)C2=CC(OC)=C(OC)C=C2,0.0
20308,CO-ADD:0242372,8.87,c1(C#N)c(c2ccc(cc2)Br)cc(nc1SCc3ccccn3)c4cccs4,0.0
20309,CO-ADD:0245303,8.87,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
20310,CO-ADD:0246145,8.87,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(cc(I)cc3I)c3OC)\N2c4ccccc4,0.0
20311,CO-ADD:0244991,8.87,[N+](=O)([O-])c1cccc(CN(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])c1,0.0
20312,CO-ADD:0240123,8.87,C(=O)(NNc1ccccc1I)C(OCC)=O,0.0
20314,CO-ADD:0244761,8.87,c12n(c3c(cc(cc3)C)s1)cc(c4ccc(cc4)OC)n2,0.0
20315,CO-ADD:0217367,8.87,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2N(CC3)CCO3,0.0
20317,CO-ADD:0216924,8.87,C(CSCc1ccccc1C)(=O)N\N=C\c2ccc(cc2OC)OC,0.0
20318,CO-ADD:0241030,8.87,C(C#N)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
20319,CO-ADD:0245000,8.87,C1(NC(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
20320,CO-ADD:0240583,8.87,n1c(SCc(cnc2N)s2)[nH]nc1c3ccccc3,0.0
20321,CO-ADD:0242000,8.87,N1(c2c(C)cccc2C)C(=O)C(C3C1=O)C(C=C4)C5(C34)CC5,0.0
20322,CO-ADD:0245634,8.87,C(/C(c1ccccc1)=O)=C(/N)\C(F)F,0.0
20323,CO-ADD:0241211,8.87,N1(C(c(cc2)ccc2C(C)C)CC(c3ccc(cc3)F)=N1)c4scc(c5ccc(cc5)Br)n4.Br,0.0
20324,CO-ADD:0245561,8.87,N(\C(=C/c(ccc(c1OCC)OCc2ccccc2)c1)\C(O3)=O)=C3c(cc4)ccc4C(C)(C)C,0.0
20325,CO-ADD:0241819,8.87,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(cc3)ccc3Cl)n1,0.0
20326,CO-ADD:0242774,8.87,C(C#N)(C1c2ccc(cc2)F)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
20327,CO-ADD:0245401,8.87,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2)ccc2Cl,0.0
20328,CO-ADD:0241120,8.87,C1(=C(O)CC(C)(C)CC1=O)C(c(ccc(c2[N+](=O)[O-])Cl)c2)C3C(=O)CC(CC3=O)(C)C,0.0
20329,CO-ADD:0157040,8.86,N#CC1=C(SCC(NC2=CC(NC(C)=O)=CC=C2)=O)N=C(C3=CC=CS3)C=C1C4=CC=CC=C4,0.0
20330,CO-ADD:0242389,8.86,C(C(OCC)=O)(C1c2cccc(Br)c2)=C(c3ccccc3)OC(N)=C1C#N,0.0
20331,CO-ADD:0242323,8.86,c1(\N=C\c(ccc(c2OC)OC)c2)c(c3ccc(c(O)c3)OC)nc(cccc4)n14,0.0
20332,CO-ADD:0157256,8.86,O=C(COC1=CC=C(C=C1)C(C)C)N/N=C/C2=CC=C(C(OC)=C2)OC,0.0
20333,CO-ADD:0244438,8.86,N(CC1)(CCO1)c2ccccc2,0.0
20334,CO-ADD:0241960,8.86,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(C3(C)C1=O)C(CC34)C=C4,0.0
20335,CO-ADD:0245643,8.86,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2ccccc2I)n3c(cccc3)c1S(CCC)(=O)=O,0.0
20336,CO-ADD:0244407,8.86,N(C1=O)C(=O)C(C(=O)N1)C(C)=O,0.0
20337,CO-ADD:0246004,8.86,C(C(OCC)=O)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
20338,CO-ADD:0244497,8.86,C(NCCCCCCCC)(=O)c1ccc(cc1)\N=C\c2cccs2,0.0
20339,CO-ADD:0242950,8.86,c(COc(cc1)ccc1\C=N\NC(Cc2ccccc2)=O)(cc(OC)cc3COc(cc4)ccc4\C=N\NC(Cc5ccccc5)=O)c3OC,0.0
20340,CO-ADD:0242608,8.86,N1(c2ccc(c(C)c2)I)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
20341,CO-ADD:0240577,8.86,N1(c2ccc(cc2)F)C(=O)C(CC1=O)NCc3ccco3,0.0
20342,CO-ADD:0241797,8.86,N1(c(cc2)ccc2C(=O)Nc3sc(c4n3)cccc4)C(=O)c(c5C1=O)cccc5,0.0
20343,CO-ADD:0245594,8.86,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C/c(cc6)ccc6Cl)n1,0.0
20344,CO-ADD:0244865,8.86,C(N(C)C(=O)N1C)(C1N2)N3C(S\C(=C/c(c(F)c4)ccc4)\C3=O)=N2,0.0
20345,CO-ADD:0241399,8.86,C(=N\c1cccc(cccc2)c12)(/N3c(cc4)ccc4[N+](=O)[O-])\SC(=N3)C(C)=O,0.0
20346,CO-ADD:0245583,8.86,C(C#N)(C1c2ccc(cc2)F)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
20347,CO-ADD:0241794,8.86,C(=O)(C(C(C)C)NC(OCc1ccccc1)=O)Nc2cc(C)ccc2C,0.0
20348,CO-ADD:0241853,8.86,c1(N(CC2)CCO2)nc(N\N=C\c(cc(Br)c(c3Br)O)c3O)nc(Nc4ccc(cc4Br)C)n1.CC(=O)O,0.0
20349,CO-ADD:0245276,8.86,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
20350,CO-ADD:0245373,8.86,C(C)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc5c(C)cc(cc5C)C)C24,0.0
20351,CO-ADD:0157064,8.86,N#CC(C(C(C=C1Br)=CC=C1F)C(C2=O)=C(C3=CC=CC=C3O2)O4)=C4N,0.0
20352,CO-ADD:0157852,8.86,[O-][N+](C1=C(O)C(/C=N/C2=CC=C(Br)C=C2)=CC(C)=C1)=O,0.0
20353,CO-ADD:0157780,8.86,IC1=C(O)C(/C=N/C2=CC(N=C(C(C=C3)=CC=C3C)O4)=C4C=C2)=CC(Br)=C1,0.0
20354,CO-ADD:0157145,8.86,O=C(C(C=C1)=CC=C1Cl)OC2=CC=C3C(C=CC=C3)=C2/C=N/C(C=C4)=CC=C4I,0.0
20355,CO-ADD:0244944,8.85,C(/Nc(cc1)ccc1OCC)=N\c(cc2)ccc2OCC,0.0
20356,CO-ADD:0242242,8.85,n(\N=C\c(cc1)ccc1O)(c2)cnn2,0.0
20357,CO-ADD:0242515,8.85,c1(N\N=C/c2c(OCC)ccc(cccc3)c23)[nH]c(c4n1)cccc4,0.0
20358,CO-ADD:0242263,8.85,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3[N+](=O)[O-])N(C)C)c3)nc(Nc4cc(C)ccc4C)n1,0.0
20359,CO-ADD:0244527,8.85,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2cccc(c2)NC(CCCCCC)=O)O)c1,0.0
20360,CO-ADD:0244506,8.85,C(=O)(c1ccc(cc1)NC(C2CCCCC2)=O)N3CCCCC3,0.0
20361,CO-ADD:0240121,8.85,C(=O)(N\N=C\c1cccc(OC)c1O)C(CCCC)(CCCC)O,0.0
20362,CO-ADD:0240763,8.85,c1(c2ccccc2O)cc(c3ccccc3)nc(N\N=C\c(cc4)ccc4Br)n1,0.0
20363,CO-ADD:0217164,8.85,C1(=C(C=C(C)OC1=O)OC(=C2C#N)N)C2c3ccccc3[N+](=O)[O-],0.0
20364,CO-ADD:0216943,8.85,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(cccc3)c23)\C=N\c(cc4)ccc4Cl,0.0
20365,CO-ADD:0244163,8.85,c1(ccc(\C=N\c(cc2)ccc2OCC)s1)[N+](=O)[O-],0.0
20366,CO-ADD:0242647,8.85,n1(c2c(nn1)cccc2)S(=O)(=O)c3ccc(cc3Br)Br,0.0
20367,CO-ADD:0241216,8.85,N1(N=C(CC1(O)c2ccc(cc2)Cl)C)C(=O)c3ccccc3C,0.0
20368,CO-ADD:0245635,8.85,C(C#N)(C1c2ccc(cc2)OCC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
20369,CO-ADD:0245617,8.85,c1(N\N=C/c2ccc(cc2OC)OC)[nH]c(c3n1)cccc3,0.0
20370,CO-ADD:0241151,8.85,c1(c(C)cc(cc1C)C)C(=O)c(cc2)ccc2C(=O)Nc(cc3)ccc3N(C)C,0.0
20371,CO-ADD:0245936,8.85,c1(ccccc1OCC)C(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
20372,CO-ADD:0246118,8.85,C(=O)(N\N=C\c1cc(OC)ccc1OC(C)=O)C(C)Oc2ccccc2Br,0.0
20373,CO-ADD:0245369,8.85,C(C(OCC)=O)(C1c2ccccc2)=C(Nc3ccc(cc3OC)OC)CC(C)(O)C1C(OCC)=O,0.0
20374,CO-ADD:0246227,8.85,C(/C(OC)=O)(\C(OC)=O)=C(/O)\c1ccc(cc1)C,0.0
20375,CO-ADD:0157022,8.85,N#CC1=C(SCC(NC(C=CC=C2)=C2C)=O)N=C(C(C=C3)=CC=C3Br)C=C1C4=CC=CC=C4,0.0
20376,CO-ADD:0245877,8.85,N1(Nc(nc(NCc2ccccc2)nc3NC(C)(C)C)n3)C(=O)c4c(c(ccc5N(CC6)CCN6C)C1=O)c5ccc4,0.0
20377,CO-ADD:0245856,8.85,C(c1ccccc1)(=O)NC(Cc2ccccc2)C(=O)N\N=C\c(cc3)ccc3NC(C)=O,0.0
20378,CO-ADD:0242674,8.85,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)O1)=C\c(cc(OCO3)c3c4)c4Br,0.0
20379,CO-ADD:0241913,8.85,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc2ccccc2)c3ccc(cc3Cl)Cl,0.0
20380,CO-ADD:0242375,8.85,c1(NC(CSc2nc(c3ccccc3)cc(c4ccc(cc4)F)c2C#N)=O)sc(c5n1)cccc5.Cl.Cl,0.0
20381,CO-ADD:0157804,8.85,O=C(C1=CN=CC=C1)N/N=C/C2=C(C=CC=C3)C3=CC=C2OCC,0.0
20382,CO-ADD:0240518,8.85,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2Cl)N3CCCC3,0.0
20383,CO-ADD:0240857,8.85,[N+](=O)([O-])c1ccc(cc1NCCOc2cccc(C)c2)N(CC3)CCO3,0.0
20384,CO-ADD:0163240,8.85,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(cc2)ccc2F)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
20385,CO-ADD:0163296,8.85,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(cc3)ccc3C,0.0
20386,CO-ADD:0163688,8.84,C(=N/OC(=O)c1ccc(cc1)OCCCCCCCCCC)(/c2c3cccc2)\c4c3cccc4,0.0
20387,CO-ADD:0240319,8.84,C(=O)(N\N=C\c1cccs1)c2cccc(Cl)c2,0.0
20388,CO-ADD:0244759,8.84,c12c(nnc(SCCN(CC3)CCO3)n1)c4c(cccc4)n2CC,0.0
20389,CO-ADD:0215060,8.84,n1(CC)c2c(c(cc(cc3)NC(=O)C\C(\C)=N\NC(=O)c4ccccc4OC)c13)cccc2,0.0
20390,CO-ADD:0215013,8.84,N1(c2cccc(Cl)c2)C(=O)C(=CC1=O)SCC(=O)Nc(cc3)ccc3Br,0.0
20391,CO-ADD:0215242,8.84,c1(OC(C)=O)c(Br)cc(cc1Br)\C=N\c(cc2)ccc2\N=C\c(cc3Br)cc(c3OC(C)=O)Br,0.0
20392,CO-ADD:0217300,8.84,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c5cc(C)cc(Br)c5O,0.0
20393,CO-ADD:0217512,8.84,n1c2c(oc1c3ccc(cc3)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])OC)cccn2,0.0
20394,CO-ADD:0242614,8.84,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2C(C)(C)C)=O)N(CC)CC)c1,0.0
20395,CO-ADD:0244903,8.84,C1(C2NC(=[N+]([H])CCO)N1)N(C)C(=O)N2C.[I-],0.0
20396,CO-ADD:0245908,8.84,C1(C#N)=C(c(cc2)ccc2c3ccccc3)CC(C)(c(cc4)ccc4c5ccccc5)NC1=O,0.0
20397,CO-ADD:0241655,8.84,C12(c3c(NC1=O)cccc3)C(C(=O)OCc4ccccc4)=C(C)OC(N)=C2C(OCC=C)=O,0.0
20398,CO-ADD:0241624,8.84,S(=O)(=O)(c1ccc(cc1)C)NCc(nnc2NC(=O)c3ccccc3I)s2,0.0
20399,CO-ADD:0246222,8.84,c1(ccccc1Cl)COc(cc2)ccc2C=O,0.0
20400,CO-ADD:0241474,8.84,c1(N(CC2)CCO2)nc(N\N=C\c3cc(Cl)ccc3O)nc(Nc(cc4)ccc4F)n1,0.0
20401,CO-ADD:0244563,8.84,S(=O)(=O)(c1ccc(c2c1)cccc2)NC(C)c3ccccc3,0.0
20402,CO-ADD:0242446,8.84,c1(ccccc1OCC(C)C)C(NCCC(NN)=O)=O,0.0
20403,CO-ADD:0244518,8.84,C(=O)(c1ccccc1C)Nc(cccc2C(=O)N\N=C/c3cc(Br)ccc3O)c2,0.0
20404,CO-ADD:0240790,8.84,c1(\N=C\c(c(O)ccc2[N+](=O)[O-])c2)n(c3ccccc3)ncc1C(OCC)=O,0.0
20405,CO-ADD:0163513,8.84,c1(Br)c(O)c(\C=N\NC(COc2ccc(cc2Br)OC)=O)cc(Br)c1OC,0.0
20406,CO-ADD:0163617,8.84,c1(\C=N\NC(COc2ccc(cc2OC)Br)=O)cc(Br)ccc1OCC(O)=O,0.0
20407,CO-ADD:0240692,8.84,C(Cl)(Cl)(Cl)C(O)CC(=O)c1ccc(cc1)Br,0.0
20408,CO-ADD:0240972,8.84,C(=C\c1ccccc1)(/C2=O)\C(=O)NC(=O)N2,0.0
20409,CO-ADD:0215010,8.84,c1(cc(OC)cc(\C=N\NC(=O)\C(=C/c(cc2)ccc2OCCC)\NC(c3ccccc3)=O)c1O)[N+](=O)[O-],0.0
20410,CO-ADD:0244841,8.84,C(C)N(C(=S)N1CC)C(C1N2)N3C(S\C(=C(/C4=O)\c5c(cccc5)N4CC)\C3=O)=N2,0.0
20411,CO-ADD:0241791,8.84,C1(C2c(cc3)ccc3C(F)(F)F)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
20412,CO-ADD:0241786,8.84,C(C#N)(C1c(cc2)ccc2C(F)(F)F)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
20413,CO-ADD:0242357,8.84,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCc3ccccc3Cl)c4cccs4,0.0
20414,CO-ADD:0242887,8.84,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
20415,CO-ADD:0241927,8.84,c1(cc(I)ccc1Cl)C(=O)N\N=C\c2c[nH]nc2c3ccccc3,0.0
20416,CO-ADD:0244528,8.84,C(=O)(N\N=C\c1ccc(cc1OC)OC)c2cccc(c2)NC(CCCCCC)=O,0.0
20417,CO-ADD:0244430,8.84,[n+]1(ccc(cc1)\C=C\c(cc2)ccc2OC)[O-],0.0
20418,CO-ADD:0241920,8.84,c1(C(=O)N(CCCS2)C2=N3)c3sc(COC(C)(C)C4)c14,0.0
20419,CO-ADD:0241122,8.84,c1(c2)c(N(CCC1(c3ccccc3)c4ccccc4)CCC5(c6ccccc6)c7ccccc7)c5cc2C(O)=O,0.0
20420,CO-ADD:0245071,8.84,n(nnc1C(=O)N\N=C(\CC2)/CCN2Cc3ccccc3)(c1COC)c4nonc4N,0.0
20421,CO-ADD:0246088,8.84,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)S1)=C\c(cc3)ccc3OCC,0.0
20422,CO-ADD:0245991,8.84,c12c(non1)N\C(=N/N=C/c3ccc(cc3OC)OC)\C(Nc4cccc(C)c4C)=N2,0.0
20423,CO-ADD:0242455,8.84,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)Cl,0.0
20424,CO-ADD:0163250,8.84,N1C(=O)C(SC1=N)CC(=O)c2ccc(cc2)Cl.Br,0.0
20425,CO-ADD:0163554,8.84,C(COc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2O,0.0
20426,CO-ADD:0240322,8.84,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(=O)NC(C)CNC(=O)CN(c3ccccc3C)S(=O)(=O)c4ccc(cc4)C,0.0
20427,CO-ADD:0163082,8.83,c(C#N)(c1c2ccccc2)c(\N=C\c3c4c(cccc4)ccc3OC(C)=O)oc1c5ccccc5,0.0
20428,CO-ADD:0242748,8.83,c1(NC(=O)c2c(Cl)ccc(c2)[N+](=O)[O-])sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
20429,CO-ADD:0244711,8.83,C(=C\c1ccc(cc1Cl)Cl)(/C2=O)\Sc(c23)cccc3,0.0
20430,CO-ADD:0215018,8.83,C(NC(Cc1ccccc1)=O)(c2c(cccc2)CC34CCCCC3)=C4C#N,0.0
20431,CO-ADD:0217714,8.83,[N+](=O)([O-])c(cccc1C(=O)O\N=C(/N)\c2ccc(cc2)OC)c1,0.0
20432,CO-ADD:0215014,8.83,c1(ccc(cc1Cl)Cl)C(=O)Nc2c(ccc(c2)NC(=O)c3ccc(cc3Cl)Cl)OCC(F)(F)C(F)F,0.0
20433,CO-ADD:0215223,8.83,c1(non2)c2nc(Nc3cccc(Br)c3)c(N\N=C\c(cc(I)cc4I)c4O)n1,0.0
20434,CO-ADD:0215463,8.83,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2Cl)(=S)Nc(cc3)ccc3Br,0.0
20435,CO-ADD:0241779,8.83,C1(C#N)(C#N)[C@H](c(cccn2)c2)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C(C)(C)C,0.0
20436,CO-ADD:0244153,8.83,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc2c(ccc(Cl)c2)OCC(F)(F)C(F)F,0.0
20437,CO-ADD:0245427,8.83,n1(\N=C\c(ccc(c2[N+](=O)[O-])N3CCCCC3)c2)nnnc1N,0.0
20438,CO-ADD:0245948,8.83,C(C#N)(C1c2scc(Br)c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
20439,CO-ADD:0241291,8.83,C1(=S)N(c2ccc(cc2)Cl)C3(\C(=N\c4cccc(C)c4)\N1)CCCCC3,0.0
20440,CO-ADD:0241615,8.83,C(C#N)(C(c1ccc(cc1)OC)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
20441,CO-ADD:0242841,8.83,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
20442,CO-ADD:0242182,8.83,[C@H]12[C@H](C1C(c3ccccc3)=O)[C@H](O[C@@H]4C2=O)CO4,0.0
20443,CO-ADD:0244800,8.83,n1c(c2ccccc2)n[nH]c1N=Nc(cc3)ccc3O,0.0
20444,CO-ADD:0245932,8.83,C12(c3c(NC1=O)cccc3)c(ccc(c4)O)c4OC(N)=C2C#N,0.0
20445,CO-ADD:0241799,8.83,c1([nH]nc2C(N)=O)c2[nH]nc1[N+](=O)[O-],0.0
20446,CO-ADD:0157083,8.83,N#CC(C(C(C=C1Br)=CC=C1F)C(C(OCC)=O)=C(C2=CC=CC=C2)O3)=C3N,0.0
20447,CO-ADD:0157307,8.83,O=C(CCCCCCCC(N/N=C(C)\C(C=C1)=CC=C1OCC)=O)N/N=C(C)/C(C=C2)=CC=C2OCC,0.0
20448,CO-ADD:0245387,8.83,c1(ccccc1Sc2ccccc2C#N)C(NCCOc3ccccc3C)=O,0.0
20449,CO-ADD:0157115,8.83,[O-][N+](C1=C(O)C(/C=N\C2=CC(C3=NC(C=C4C)=C(C=C4)O3)=C(O)C=C2)=CC=C1)=O,0.0
20450,CO-ADD:0242432,8.83,N(=C(N\N=C\CCCCCC)NN=C1Cc2ccccc2)C1=O,0.0
20451,CO-ADD:0246021,8.83,N1(c(cc2)ccc2C(=O)Oc(cc3)ccc3Cl)C(=O)c4c(cccn4)C1=O,0.0
20452,CO-ADD:0242186,8.83,o(c(c(cccc1c2nnc(c(cccc3[N+](=O)[O-])c3)o2)c1)nn4)c4c(cccc5[N+](=O)[O-])c5,0.0
20453,CO-ADD:0240798,8.83,s1c(C(C)(C)C)nnc1NC(=O)c2ccccc2I,0.0
20454,CO-ADD:0163571,8.83,C(=N\NC(COc(ccc(c1C)C)c1)=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
20455,CO-ADD:0163059,8.83,n1(N)c(C)nnc1N\N=C\c(cc2)ccc2C(OC)=O.Cl.Cl,0.0
20456,CO-ADD:0163643,8.83,C(=N\NC(COc(ccc(c1C)C)c1)=O)(/c2c(N3C)cccc2)\C3=O,0.0
20457,CO-ADD:0240779,8.83,n1(N)c(C)nnc1N\N=C\c(ccc(c2OC)OCc(cc3)ccc3Cl)c2.Cl.Cl,0.0
20458,CO-ADD:0240669,8.83,c([N+](=O)[O-])(n1)ncn1[C@H]2C(=O)C=C(C[C@@H]2c3cccs3)\C=C\c4cccs4,0.0
20459,CO-ADD:0215168,8.83,N1(c2ccc(cc2)OC)C(=O)C3C(C(\C(=C(/c4ccccc4)\c5ccccc5)\C36)C=C6C(C)(C)C)C1=O,0.0
20460,CO-ADD:0215000,8.83,C(=O)(Oc(cc1)ccc1Br)Nc2cccc3c2cccc3NC(=O)Oc(cc4)ccc4Br,0.0
20461,CO-ADD:0215016,8.82,C(NC(=S)NC(c1ccccc1)=O)(c2c(cccc2)CC34CCCC3)=C4C#N,0.0
20462,CO-ADD:0217723,8.82,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c1ccco1,0.0
20463,CO-ADD:0244821,8.82,C(N12)(C(N3C1=S)N4CN(Cc(c5)cccc5)C3)N(CN(Cc(c6)cccc6)C2)C4=O,0.0
20464,CO-ADD:0242758,8.82,C(F)(C(F)(F)F)(C(=O)Nc(cccn1)c1)OC(F)(F)C(F)(F)C(F)(F)F,0.0
20465,CO-ADD:0244191,8.82,S(c1ccccc1)(=O)(=O)N(CC(=O)NC(C)CC)c2cccc(Cl)c2Cl,0.0
20466,CO-ADD:0241764,8.82,C1(C#N)(C#N)[C@@H](c2ccc(cc2)Br)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C(C)(C)C,0.0
20467,CO-ADD:0245437,8.82,c1(cc(Br)cnc1N)[N+](=O)[O-],0.0
20468,CO-ADD:0241173,8.82,[N+](=O)([O-])c1ccc(cc1)Sc(cc2)ccc2NC(=O)c(cc(cc3NC(c4ccccc4)=O)NC(c5ccccc5)=O)c3,0.0
20469,CO-ADD:0242937,8.82,N(/Nc1ccccc1)=C(/Cc2ccccc2)\c(cc3)ccc3c4ccccc4,0.0
20470,CO-ADD:0241635,8.82,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-])C1=O,0.0
20471,CO-ADD:0245307,8.82,P(O)(=O)(CN(CC(OC)=O)C(OCC)=O)C(Cc1ccccc1)C(O)=O,0.0
20472,CO-ADD:0245535,8.82,N(C(=O)\C(\S1)=C/c2ccccc2O)=C1N3CCC(CC3)C,0.0
20473,CO-ADD:0241442,8.82,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3Cl)nc(Nc(cc4)ccc4F)n1.Cl,0.0
20474,CO-ADD:0245389,8.82,n1c(N)ncnc1N,0.0
20475,CO-ADD:0244157,8.82,c1(cc(ccc1N(C)C)\C=N\c(cc2)ccc2c(cc3)ccc3[N+](=O)[O-])[N+](=O)[O-],0.0
20476,CO-ADD:0244917,8.82,C1(C2NC(SC)=[N+]1[H])N(C)C(=O)N2C,0.0
20477,CO-ADD:0242041,8.82,N1(c(ccc(c23)[nH]c(c(cc4)ccc4N5C(=O)c(c6C5=O)cc(c7c6c8ccccc8)cccc7)n2)c3)C(=O)c(c9C1=O)cc(c%10c9c%11ccccc%11)cccc%10,0.0
20478,CO-ADD:0244781,8.82,[N+](=O)([O-])c1c(Cl)ccc(c1)c2nnc(c(ccc(c3[N+](=O)[O-])Cl)c3)o2,0.0
20479,CO-ADD:0242304,8.82,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c(cccc4C(O)=O)c4)o3,0.0
20480,CO-ADD:0242255,8.82,C(=C/c1cccc(cccc2)c12)(/C(=O)c3c4cccc3)\C4=O,0.0
20481,CO-ADD:0240268,8.82,[N+](=O)([O-])c1cc(C)ccc1NC(COc2ccc(cc2Cl)Cl)=O,0.0
20482,CO-ADD:0240736,8.82,C(/c1c(N2)cccc1)(=N\NC(=O)c(cc3)ccc3[N+](=O)[O-])\C2=O,0.0
20483,CO-ADD:0240613,8.82,N1(c2ccc(cc2)F)C(=O)C(CC1=O)S\C(\NCC)=N/CC,0.0
20484,CO-ADD:0158476,8.82,O=C1C(C(CC(C)(C)C1)=O)=CNNC(C(C=C2)=CC=C2OC)=O,0.0
20485,CO-ADD:0160294,8.82,[O-][N+](C1=CSC(/C(C)=N/NC(/C(NC(C2=CC=CC=C2)=O)=C\C3=CC=CC=C3)=O)=C1)=O,0.0
20486,CO-ADD:0158484,8.82,O=C(C1=CC(C(OC)=O)=CC=C21)N(C3=C(C=CC=C4)C4=CC=C3)C2=O,0.0
20487,CO-ADD:0240701,8.82,C1(=O)C(C)(C)Nc(c2N1)cccc2,0.0
20488,CO-ADD:0240184,8.82,[N+](=O)([O-])c1cc2c(cc1\C=N\c3ccccc3)OCO2,0.0
20489,CO-ADD:0217763,8.82,[N+](=O)([O-])c1cccc(c1)\C=N/NC(=O)c(cccn2)c2,0.0
20490,CO-ADD:0217703,8.82,C(=O)(N\N=C\c1ccccc1OCc(cc2)ccc2Cl)C(=O)Nc(cc3)ccc3Cl,0.0
20491,CO-ADD:0241942,8.81,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)\C=C\c2ccccc2)=O)c3cccs3,0.0
20492,CO-ADD:0242336,8.81,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c2cccc(C)c2,0.0
20493,CO-ADD:0245500,8.81,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(cccc3[N+](=O)[O-])c3,0.0
20494,CO-ADD:0241709,8.81,n1c(ccc(C#N)c1SCCCOc2ccccc2)c3cccs3,0.0
20495,CO-ADD:0242840,8.81,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c4ccccc4O)n1,0.0
20496,CO-ADD:0242812,8.81,C1(NS(=O)(=O)c2ccc(cc2)CN3C(=O)c4c(cccc4)C3=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
20497,CO-ADD:0156998,8.81,N#CC1=C(SCC(NC2(C[C@@H]3C4)C[C@@H]4C[C@@H](C3)C2)=O)N=C(N)N=C1SC,0.0
20498,CO-ADD:0157103,8.81,O=C(C)C1=CC=C(C=C1)N2N=NN=C2,0.0
20499,CO-ADD:0157111,8.81,O=C(C1=CC=CC=C1Cl)N/C(C(N/N=C/C2=C(OC)C=C(OC)C=C2)=O)=C\C3=CC=CS3,0.0
20500,CO-ADD:0157829,8.81,O=C1/C(N=C(C2=CC=CC(C)=C2)O1)=C\C3=CC=CC(C)=C3,0.0
20501,CO-ADD:0157842,8.81,O=C(COC1=CC=C(CCCC)C=C1)N/N=C/C(C=CC=C2)=C2O,0.0
20502,CO-ADD:0156987,8.81,N#CC1=C(SCC(NC2=CC=CC=C2)=O)N=C(CC)C(C)=C1,0.0
20503,CO-ADD:0244948,8.81,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3C)C)c3)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
20504,CO-ADD:0157043,8.81,NC1=C(C(C(C=C2)=CC=C2F)=O)SC3=C1C(C4=CC=CC=C4)=CC(C5=CC=CS5)=N3,0.0
20505,CO-ADD:0246129,8.81,c1(NC(C)=O)n(c2ccccc2)ncc1C(=O)N3CCCCCC3,0.0
20506,CO-ADD:0246122,8.81,C(C(OCC)=O)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
20507,CO-ADD:0163222,8.81,c1(NC(C)(C)C)nc(Cl)nc(N)n1,0.0
20508,CO-ADD:0163534,8.81,C(=O)(N\N=C\c(cc1)cc(c1OC(C)=O)OC)c(ccc(c23)OCCO2)c3,0.0
20509,CO-ADD:0240499,8.81,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2OCC)\C(N1c3ccccc3)=O,0.0
20510,CO-ADD:0240437,8.81,C(=N\c(ccc(c12)cccc1)c2)(/S\C(\C3=O)=C\c(cc4)ccc4Cl)\N3,0.0
20511,CO-ADD:0157645,8.81,N#CC(C(C1=CC(Br)=CC=C1)C([N+]([O-])=O)=C(C2=CC=CC=C2C(OC)=O)O3)=C3N,0.0
20512,CO-ADD:0158353,8.81,O=C(COC(C=C1)=CC=C1I)N/N=C/C2=CC(Br)=CC=C2,0.0
20513,CO-ADD:0157353,8.81,C1(C(C=C2)=CC=C2/N=C/C3=CC=CC=C3)=NC(C=C4)=C(C=C4/N=C/C5=CC=CC=C5)N1,0.0
20514,CO-ADD:0158324,8.81,O=C(NC1=CC=C(Cl)C=C1)CCN2CCN(C)CC2.Cl,0.0
20515,CO-ADD:0240892,8.81,[N+](=O)([O-])c1cccc(\C=N\c(c2)c(ccc2C(F)(F)F)Oc3ccccc3)c1O,0.0
20516,CO-ADD:0240404,8.81,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c3ccc(cc3)N)c4nonc4N,0.0
20517,CO-ADD:0217735,8.81,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(ccc(c1OC)OC)c1,0.0
20518,CO-ADD:0215233,8.81,C(OC(=O)Nc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F,0.0
20519,CO-ADD:0214993,8.8,[N+](=O)([O-])c(cc1)ccc1c2ccc(cc2)NC(=O)Nc3cccc(Cl)c3,0.0
20520,CO-ADD:0246010,8.8,C(=C/c1ccccc1OCC#N)(/C(=O)NN2c(cc3)ccc3C(OCC)=O)\C2=O,0.0
20521,CO-ADD:0245830,8.8,n1c(cccc2)n2c(ccc(cccc3)c34)c14,0.0
20522,CO-ADD:0245567,8.8,c1(ccccc1NC(=O)c2ccco2)C(=O)N\N=C\c(cc3)ccc3OCc4ccccc4,0.0
20523,CO-ADD:0241832,8.8,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(ccc(c3Br)OC)c3)n1,0.0
20524,CO-ADD:0241296,8.8,C1(=S)N(c2ccc(cc2)C)C3(\C(=N\c4cccc(C)c4)\N1)CCCC3,0.0
20525,CO-ADD:0246184,8.8,N(Cc1ccccc1Cl)(c(c2)c(N3Cc4ccccc4Cl)cc(N(CC5)CCO5)c2[N+](=O)[O-])C3=O,0.0
20526,CO-ADD:0245746,8.8,C(=C/Nc1ccccc1CC)(/C2=O)\C(C(F)(F)F)=NN2c(cc3)ccc3[N+](=O)[O-],0.0
20528,CO-ADD:0244309,8.8,o1c(c2cccc(Br)c2)nnc1SC(C(C)=O)C(=O)N(C)C,0.0
20529,CO-ADD:0244250,8.8,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\NC(CCCCC(=O)N\N=C\c(cc3)ccc3OC(=O)c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4)=O)c1,0.0
20530,CO-ADD:0245694,8.8,C(=N/c1ccccc1)(/SC(C2=O)CC(=O)Nc3ccccc3C)\N2CC,0.0
20531,CO-ADD:0242168,8.8,N1(c2ccc(cc2)Br)C(c(cccc3[N+](=O)[O-])c3)Nc(c4C1=O)cccc4,0.0
20532,CO-ADD:0240545,8.8,n1(c(ccc(c2C(O)=O)O)c2)cnnn1,0.0
20533,CO-ADD:0245891,8.8,S(=O)(=O)(c1ccc(cc1)C)N\N=C\c2c3c([nH]c2C)cccc3,0.0
20534,CO-ADD:0245416,8.8,c1(Nc(cc2)ccc2OC)nc(N\N=C\c3ccccc3Cl)nc(NCc4ccco4)n1.Cl,0.0
20535,CO-ADD:0241660,8.8,C12(c3c(NC1=O)cccc3)C(C(OCC)=O)=C(N)OC(CCC)=C2C(=O)OC(C)(C)C,0.0
20536,CO-ADD:0241973,8.8,S(=O)(=O)(NCc(cccn1)c1)c(cccc2S(c3ccccc3)(=O)=O)c2,0.0
20537,CO-ADD:0157332,8.8,O=C(COC1=CC=C(C(C)C)C=C1)N/N=C/C(C=C2)=CC=C2OCCCC,0.0
20538,CO-ADD:0156988,8.8,N#CC1=C(SCC(N)=O)N=C(N)N=C1SC,0.0
20539,CO-ADD:0242383,8.8,C1(C#N)(C#N)[C@H]([C@]([H])(C2)C(C(C(O)=O)=C1N)=CCN2C)c3ccc(C)o3,0.0
20540,CO-ADD:0240935,8.8,C1(C2c(cc3)ccc3C(C)C)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC4=O)=C24,0.0
20541,CO-ADD:0240690,8.8,C(Cl)(Cl)(Cl)\C=C\C(c1ccccc1)=O,0.0
20542,CO-ADD:0244745,8.8,C(C(OCC)=O)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
20543,CO-ADD:0158396,8.8,IC1=CC(C2=NC(C=CC=C3)=C3N=C2C4=CC(I)=CC=C4)=CC=C1,0.0
20544,CO-ADD:0158393,8.8,FC(C(F)(F)C(F)1F)(F)C(C(NCC(C)NC(C(C(F)(F)C(F)(F)C(F)(F)C(F)2F)(F)C2(F)F)=O)=O)(F)C(F)(F)C1(F)F,0.0
20545,CO-ADD:0158330,8.8,O=C(C1=CC=CC=C1)NC(C2=CC=CC=C2)C(OCCC)=O,0.0
20546,CO-ADD:0246072,8.8,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)S1)=C\c3cccs3,0.0
20547,CO-ADD:0240477,8.8,[nH]1c(cccc2)c2c(CCCC(=O)N\N=C\c3cccc(OC)c3O)c1,0.0
20548,CO-ADD:0217753,8.8,N1(CNc(cc2)ccc2Cl)C(=O)\C(\SC1=O)=C\c3cccc(OC)c3,0.0
20549,CO-ADD:0217761,8.8,N1C(=O)\C(\NC1=O)=C\c(cc2)ccc2O,0.0
20550,CO-ADD:0217664,8.8,n1c(c2ccc(cc2)C)c(cn1c3ccccc3)\C=N\NC(=O)c4ccc(cc4)Br,0.0
20551,CO-ADD:0241974,8.8,n1(c2cc(C)ccc2OC(=O)c(cccc3S(=O)(=O)N4CCCCCC4)c3)nc5c(cccc5)n1,0.0
20552,CO-ADD:0241554,8.79,S(=O)(=O)(N1CCCCC1CC)c2c(C(C)C)cc(cc2C(C)C)C(C)C,0.0
20553,CO-ADD:0244936,8.79,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C\c(ccc(c3OC)OC)c3)c4nonc4N,0.0
20554,CO-ADD:0245097,8.79,n1(nnc(C(=O)N\N=C\c(ccc(c2OC)OC)c2)c1CN(CC3)CCO3)c4nonc4N,0.0
20555,CO-ADD:0241674,8.79,c1(C#N)c(C)cc(nc1SCC(OC=C)=O)C,0.0
20556,CO-ADD:0157857,8.79,ClC1=CC(Cl)=CC=C1/C=N/C2=CC(N=C(C(C=C3)=CC=C3C(C)(C)C)O4)=C4C=C2,0.0
20557,CO-ADD:0157865,8.79,ClC1=CC=CC=C1/C=N/C2=CC(N=C(C(C=C3)=CC=C3C(C)(C)C)O4)=C4C=C2,0.0
20558,CO-ADD:0157502,8.79,O=C(COC(C=C1)=CC=C1F)N/N=C(C)/C=C/C2=CC=CC=C2,0.0
20559,CO-ADD:0157542,8.79,N#CC1(C#N)[C@]2([H])N([C@H](C(C(C=C3)=CC=C3C)=O)[C@H]1C4=CSC=C4)C(C=CC=C5)=C5C=C2,0.0
20560,CO-ADD:0157862,8.79,[O-][N+](C(C=CC=C1)=C1/C=N/C2=CC(N=C(C(C=C3)=CC=C3C(C)(C)C)O4)=C4C=C2)=O,0.0
20561,CO-ADD:0157757,8.79,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1N2CC(NCC2)C)=O,0.0
20562,CO-ADD:0252682,8.79,C(O)(=O)c1cccc(c1)\N=C\c2cccc(Br)c2,0.0
20563,CO-ADD:0254568,8.79,c1(ccccc1OC)C(=O)N\N=C\c(cc2)ccc2OCc3cccc(cccc4)c34,0.0
20564,CO-ADD:0248140,8.79,c12c(nnc(SCC(=O)NC(C)c3ccccc3)n1)c4c(cccc4)n2CC=C,0.0
20565,CO-ADD:0247965,8.79,[N+](=O)([O-])c1cc(ccc1O)\C=N/NC(=O)c(ccc(c23)OCO2)c3,0.0
20566,CO-ADD:0252638,8.79,C(\C(\C=C\c1ccccc1F)=N\Nc(cc2)ccc2Br)#Cc3ccccc3,0.0
20567,CO-ADD:0252675,8.79,S(=O)(=O)(Oc1ccccc1)c(cccc2C(=O)Nc(cccc3[N+](=O)[O-])c3)c2,0.0
20568,CO-ADD:0247601,8.79,C(C(OCC)=O)(C1c2ccc(Br)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
20569,CO-ADD:0253433,8.79,n1c(N2CCCCC2)nc(nc1N(CC3)CCO3)N\N=C\c(cc4)ccc4F,0.0
20570,CO-ADD:0253617,8.79,c1(NC(C)=O)sc(c2c1C(OCC)=O)\C(\CCC2)=N\OC(=O)c3ccc(cc3)Br,0.0
20571,CO-ADD:0256319,8.79,n1(nnc(C(OCC)=O)c1CN(C(C)C)C(C)C)c2nonc2N,0.0
20572,CO-ADD:0255390,8.79,N1(Cc2ccco2)C(=O)C(C(C1=O)C34C(OC)OC)C(c(c35)cccc5)c(c46)cccc6,0.0
20573,CO-ADD:0250366,8.79,C(=N/c1ccc(cc1C)C)(/S\C(\C2=O)=C\c(ccc3c(cccc4[N+](=O)[O-])c4)o3)\N2,0.0
20574,CO-ADD:0253296,8.79,C(CC)(NC(=O)Oc(cc1)ccc1C(C)(C)CC(C)(C)C)(C(F)(F)F)C(F)(F)F,0.0
20575,CO-ADD:0255783,8.79,C1(C(OCCCCCC)=O)=C(C)NC(NC1c2ccc(c(OCC)c2)O)=O,0.0
20576,CO-ADD:0250339,8.79,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(NCCOC)=O,0.0
20577,CO-ADD:0255596,8.79,C(=O)(Nc1cccc(Cl)c1)C(c2ccc(cc2)Cl)NC(COc3ccc(cc3Cl)Cl)=O,0.0
20578,CO-ADD:0256913,8.79,c12c(nnc(N\N=C(/C)\C(C)(C)C)n1)c(c3[nH]2)cccc3C,0.0
20579,CO-ADD:0256594,8.79,c1(NC(=O)C(CC)OC(=O)C(CCSC)NC(c2ccccc2)=O)sc(c3c1C#N)CCCC3,0.0
20580,CO-ADD:0250385,8.79,n(\N=C\c(ccc(c1OC)OCc(cc2)ccc2C)c1)(c3)cnn3,0.0
20581,CO-ADD:0250673,8.78,C1(Cl)(Cl)C(C1CCC(C2C(=O)Nc(cc3)ccc3OC)C24)CC4,0.0
20582,CO-ADD:0256843,8.78,c1(\N=C\c2c(O)ccc(cccc3)c23)sc(c4c1C(OCC)=O)CCC4,0.0
20583,CO-ADD:0255451,8.78,C(C(OC)=O)(C1c2ccccc2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)F,0.0
20584,CO-ADD:0257069,8.78,C(=O)(Nc(c1)cc(cc1C)C)C(=O)NCC(C)C,0.0
20585,CO-ADD:0256813,8.78,n1c(c2ccc(c(OC)c2)OC)[nH]c(c3ccc(cc3)F)c1c4ccccc4,0.0
20586,CO-ADD:0256077,8.78,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c3ccccc3F)n1.Cl,0.0
20587,CO-ADD:0255289,8.78,C1(C#N)=C(N)Oc(c2C1c3ccc(c(OC)c3)OC)ccc(cccc4)c24,0.0
20588,CO-ADD:0252242,8.78,n(nnc1C(=O)N\N=C\CCC)(c1COC)c2nonc2N,0.0
20589,CO-ADD:0248272,8.78,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(ccc3c4ccc(cc4)Cl)o3,0.0
20590,CO-ADD:0248198,8.78,c1(ccccc1I)C(=O)N\N=C\c(cc2OC)cc(c2OC)OC,0.0
20591,CO-ADD:0248201,8.78,N1(C(=O)c(cccc2[N+](=O)[O-])c2)C(O)(c(cc3)ccn3)CC(C(F)(F)F)=N1,0.0
20592,CO-ADD:0253007,8.78,c1(scc(c2ccccc2)n1)NC(CSCCO)=O,0.0
20593,CO-ADD:0253012,8.78,C1(C)=CC(=O)Oc(ccc(OCC(OCC(COC(COc(ccc(c23)OC(C=C2C)=O)c3)=O)=O)=O)c4)c14,0.0
20594,CO-ADD:0247425,8.78,[N+](=O)([O-])c(cc(Oc(cc1)ccc1CCC(=O)N(CC2)CCN2c3ccccc3OC)cc4[N+](=O)[O-])c4,0.0
20595,CO-ADD:0248191,8.78,C(F)(F)(F)c(ccc(c1\N=C\c2ccccc2O)N3CCCC3)c1,0.0
20596,CO-ADD:0240966,8.78,[N+](=O)([O-])c1cccc(Cl)c1\C=N\NC(=O)c2ccccn2,0.0
20597,CO-ADD:0240655,8.78,n1(nnc(C(OCC)=O)c1CN(CC)CC)c2nonc2N,0.0
20598,CO-ADD:0240396,8.78,C(C#N)(C1c(cccc2[N+](=O)[O-])c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
20599,CO-ADD:0247917,8.78,n1(c2ccccc2)nc(c(\C=N\NC(=O)c(ccc(c34)OCO3)c4)c1Cl)C,0.0
20600,CO-ADD:0253104,8.78,c1(NC(=O)CC(c2cccc(OC)c2)NC(c3ccccc3)=O)nnc(SCC)s1,0.0
20601,CO-ADD:0248246,8.78,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3CCO)[N+](=O)[O-],0.0
20602,CO-ADD:0252329,8.78,c1(cc(Cl)ccc1O)C(=O)\C=C\c(cc2)ccc2OC,0.0
20603,CO-ADD:0252311,8.78,N12C(C(=CC(C)=C1OC#N)C)=N[C@]([H])(CCC[C@H]3Br)[C@@]23[H],0.0
20604,CO-ADD:0252465,8.78,c(N1CCCCC1)(cc2C)c(F)cc2C(C)=O,0.0
20605,CO-ADD:0252400,8.78,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc(c4[N+](=O)[O-])N(CC5)CCN5C)c4.Cl,0.0
20606,CO-ADD:0252472,8.78,S(=O)(=O)([O-])SCC(=O)Nc(cccc1C(F)(F)F)c1.[Na+],0.0
20607,CO-ADD:0253506,8.78,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccccc4OC,0.0
20608,CO-ADD:0250156,8.78,C1(c2ccccc2F)N(CCN1Cc3ccccc3)Cc4ccccc4,0.0
20609,CO-ADD:0250085,8.78,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
20610,CO-ADD:0255278,8.78,C(C(c1ccccc1)=O)(C2c(cc3)ccc3N(C)C)=C(O)C(N2CCN(CC)CC)=O,0.0
20611,CO-ADD:0253919,8.78,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c(cc2Br)cc(c2O)Br)F,0.0
20612,CO-ADD:0256525,8.78,C12(\C=C\c(cc3)ccc3N(C)C)N(CC(C)C(=O)N1)c4c(cccc4)C2(C)C,0.0
20613,CO-ADD:0256523,8.78,c12c(nnc(S)n1)c3c(cccc3)n2CC=C,0.0
20614,CO-ADD:0256388,8.78,c1(cccc(\C=N\NC(N)=S)c1O)C(O)=O,0.0
20615,CO-ADD:0256737,8.78,C(=O)(Nc1cccc(C)c1)C(NCCCn(ccn2)c2)=O,0.0
20616,CO-ADD:0256477,8.78,N1(c(ccc(c2s3)nc3SCC(=O)N(CC4)CCO4)c2)C(=O)c5c(cccc5)C1=O,0.0
20617,CO-ADD:0255696,8.77,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CN3CCCCC3,0.0
20618,CO-ADD:0253395,8.77,N(\N=C\c(cc1)ccc1C(OC)=O)(C(=O)CN2C(C)C)C2c(cc3)ccc3C(OC)=O,0.0
20619,CO-ADD:0256621,8.77,C(O)(C(F)(F)F)(C(F)(F)F)c1ccc(CCCO)o1,0.0
20620,CO-ADD:0256614,8.77,N1(c2ccc(c(C)c2)C)C(=O)\C(=C/c(cc(n3c4ccc(cc4)Br)c5ccccc5)c3c6ccccc6)\C(NC1=S)=O,0.0
20621,CO-ADD:0255168,8.77,S(N)(=O)(=O)c1c(C)cc(nc1Cl)C,0.0
20622,CO-ADD:0252679,8.77,C1(C(NCCNC(=O)Oc2ccccc2)=O)=C(O)c3c(cccc3)OC1=O,0.0
20623,CO-ADD:0253011,8.77,N1(C(=O)c2cccc(OC)c2)C(O)(c3ccc(cc3)CC)CC(C(F)(F)F)=N1,0.0
20624,CO-ADD:0240709,8.77,C(OC)(=O)c1ccc(cc1)OCCCCCCCCCC,0.0
20625,CO-ADD:0242472,8.77,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)\N=C\c4cc(Cl)ccc4O)n1,0.0
20626,CO-ADD:0252374,8.77,S(c1ccccc1)(=O)(=O)NC(=O)Oc(cc2)ccc2C34CC5CC(CC(C5)C3)C4,0.0
20627,CO-ADD:0252432,8.77,S(=O)(=O)(c1ccc(cc1)\N=C\c2ccccc2OCc3ccccc3)Nc4ccccn4,0.0
20628,CO-ADD:0247334,8.77,c1(ccc(cc1F)\C(\C)=N\OC(=O)c2ccc(cc2)F)N3CCCCC3,0.0
20629,CO-ADD:0252917,8.77,C(=S)(N(CC1)CCO1)c(cc2Br)cc(c2OC(C)=O)Br,0.0
20630,CO-ADD:0252752,8.77,C1(F)(C(F)(F)F)C2OC(C(O)C2O)C1(F)C(F)(F)F,0.0
20631,CO-ADD:0252754,8.77,N1(c2ccc(cc2)C)C(=O)C(C(C1=O)C3(CCl)c4c5cccc4)C5(CCl)c6c3cccc6,0.0
20632,CO-ADD:0252435,8.77,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C(/CCC4)\C4,0.0
20633,CO-ADD:0256547,8.77,N1(Cc2ccccc2)C(=O)OC(C)(CCC3C(C)=C)C13C,0.0
20634,CO-ADD:0256971,8.77,c1(sc(c(ccc2S(C)(=O)=O)n1)c2)NC(=O)c3ccco3,0.0
20635,CO-ADD:0255848,8.77,C(=O)(NC1CCCCC1)c2c(cccc2OC)OC,0.0
20636,CO-ADD:0253579,8.77,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)Nc5ccc(cc5C)C,0.0
20637,CO-ADD:0250375,8.77,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c4c[nH]nc4c5ccccc5)\C1=O,0.0
20638,CO-ADD:0249994,8.77,S(=O)(=O)(c(ccc(c12)C(=O)c3c(cccc3)C1=O)c2)Nc4ccccc4F,0.0
20639,CO-ADD:0256630,8.77,C(=O)(N\N=C(/CC)\c1ccccc1)C(=O)Nc2c(Cl)ccc(Cl)c2,0.0
20640,CO-ADD:0256350,8.77,s1c(N)nnc1SCC(=O)Nc(cc2)ccc2C(OC)=O,0.0
20641,CO-ADD:0256688,8.77,N12C(S\C(=C\c(cc3)ccc3O)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)ccc4OC,0.0
20642,CO-ADD:0253373,8.77,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c4ccc(cc4Cl)Cl,0.0
20643,CO-ADD:0256558,8.77,c1(SCc2ccccc2)sc3c(ccc(c3)NC(CSc4sc(c5n4)cccc5)=O)n1,0.0
20644,CO-ADD:0256230,8.77,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C\c(cccc5[N+](=O)[O-])c5)\C6=O)N36)N(C(=O)N1C)C,0.0
20645,CO-ADD:0253628,8.77,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)C)SC(=NN2c6ccc(cc6)Br)C(C)=O,0.0
20646,CO-ADD:0253645,8.77,C(C(OCC)=O)(=C(CSc1nc(C)cc(C)c1C#N)OC(=C2C#N)N)C2c3ccc(c(Br)c3)OC,0.0
20647,CO-ADD:0257016,8.77,N1(c2ccc(cc2)OC)C(c3ccc(cc3)OCC(C)C)Nc(c4C1=O)cccc4,0.0
20648,CO-ADD:0256734,8.77,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3ccccc3Cl,0.0
20649,CO-ADD:0256920,8.77,N1(c2ccc(cc2)Cl)C(=O)C(C(C1=O)C34C=O)C(c(c35)cccc5)c(c46)cccc6,0.0
20650,CO-ADD:0256890,8.77,n1(c2ccccc2)c(c3ccc(c(OC)c3)OC)nnc1SC(C)C(=O)NC(c4ccccc4)c5ccccc5,0.0
20651,CO-ADD:0257082,8.77,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=S)=C/c(ccc3c(cc4)ccc4C(O)=O)o3,0.0
20652,CO-ADD:0253842,8.77,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CCc2ccccc2)CC(=O)N\N=C(/C)\C,0.0
20653,CO-ADD:0240474,8.76,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,0.0
20654,CO-ADD:0244635,8.76,c1(ccc(cc1)SC)c2ccc(cc2)SC,0.0
20655,CO-ADD:0244656,8.76,C12C(C1C(=O)N\N=C(/C)\c3cccc(Br)c3)CCCC2,0.0
20656,CO-ADD:0250245,8.76,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4OC)cc(c4OCc5ccccc5Cl)Br)\C1=O,0.0
20657,CO-ADD:0257088,8.76,N1(c2ccc(cc2)Cl)C(=O)CC(N(CCc(ccc(c3OC)OC)c3)C(C)=O)C1=O,0.0
20658,CO-ADD:0256882,8.76,N1\C(=N\N=C\c(ccc(c2OC)OC)c2)\S\C(=C/c(ccc(c3OC)OC)c3)\C1=O,0.0
20659,CO-ADD:0253165,8.76,S(=O)(=O)(N1CCCCCC1)c2c(C)ccc(c2)C(=O)Nc(cc3)ccc3C,0.0
20660,CO-ADD:0253970,8.76,c12n(nc(S)n1)c(c(C)c(C)n2)C,0.0
20661,CO-ADD:0253346,8.76,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)S1)=C\c3ccco3,0.0
20662,CO-ADD:0256649,8.76,N1(CCCCCCCCCCCC)C(C)(O)C2(OC1=O)CCCCC2,0.0
20663,CO-ADD:0256346,8.76,N1(CCCc(cccc2)c12)C(=O)CSc3ccccn3,0.0
20664,CO-ADD:0255760,8.76,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)Cl)=O,0.0
20665,CO-ADD:0253940,8.76,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Br)SC(=NN2c6ccccc6)c7ccccc7,0.0
20666,CO-ADD:0245033,8.76,[N+](=O)([O-])c1ccc(cc1)OC(CCCCCNC(=O)OCC2c(cccc3)c3c4c2cccc4)=O,0.0
20667,CO-ADD:0241381,8.76,c1(c(Br)cc(cc1Br)\C=N\c2cccc(cccc3)c23)OC(c4ccccc4)=O,0.0
20668,CO-ADD:0240702,8.76,c1(C(=O)N\N=C\c(cc2)ccc2Br)c(O)cc(c3c1)cccc3,0.0
20669,CO-ADD:0240900,8.76,n1(c(C)c(nn1)\C(\C)=N\N=C\c2cccc(F)c2)c3nonc3N,0.0
20670,CO-ADD:0245817,8.76,N1(c(cc2)ccc2C(=O)Nc(cc3)ccc3[N+](=O)[O-])C(=O)c(c4C1=O)ccc(c4)[N+](=O)[O-],0.0
20671,CO-ADD:0242565,8.76,S(=O)(=O)(Oc1cccc(cccn2)c12)c3cc(C)ccc3C,0.0
20672,CO-ADD:0253293,8.76,C(c1ccccc1)(=O)Nc(cc2)cc(c2Oc3ccc(c4c3Cl)cccc4)Cl,0.0
20673,CO-ADD:0250097,8.76,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
20674,CO-ADD:0256616,8.76,N1(CSCC1C(=O)Nc(c(C)ccc2[N+](=O)[O-])c2)C(=O)OCc3ccccc3,0.0
20675,CO-ADD:0253386,8.76,c12c(c3c(NC(C)(C)O1)cccc3)nnc(SCCC)n2,0.0
20676,CO-ADD:0253714,8.76,c1(nonc1N)\C(\N)=N\OCC(=O)Nc(cccc2[N+](=O)[O-])c2,0.0
20677,CO-ADD:0256768,8.76,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccccc4OCc5ccc(cc5Cl)Cl,0.0
20678,CO-ADD:0256666,8.76,C1(C(OCC=C)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
20679,CO-ADD:0255455,8.76,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(c4c3)OCO4)c5sc(c6c5C#N)CCCC6,0.0
20680,CO-ADD:0253306,8.76,C1(C(OCCCC)=O)=C(C)NC(=C2C1c3cc4c(cc3Cl)OCO4)CCCC2=O,0.0
20681,CO-ADD:0255405,8.75,c1(C(F)(F)F)nc(sc1c2cccc(Cl)c2)Nc(cc3)ccc3F,0.0
20682,CO-ADD:0255313,8.75,C(=N/Nc1cccc(F)c1)(/C(N)=NN2)\C2=N,0.0
20683,CO-ADD:0242191,8.75,N(\C(=C/c1ccccc1OCCCC)\C(O2)=O)=C2c3ccc(cc3)C,0.0
20684,CO-ADD:0245345,8.75,N(C1=CNC(NC1=O)=O)(C(=O)c(c23)c(Br)c(c(Br)c2Br)Br)C3=O,0.0
20685,CO-ADD:0242570,8.75,c1(C#N)c(C)c(sc1\N=C\c(cc2)ccc2Br)C,0.0
20686,CO-ADD:0240165,8.75,n1c2c(oc1c3ccc(cc3)\N=C\C=C\c4ccccc4Cl)cccn2,0.0
20687,CO-ADD:0240755,8.75,c1(N\N=C\c2ccccc2OC)nc(c3ccccc3)cc(c4ccc(c(OC)c4)OC)n1,0.0
20688,CO-ADD:0244721,8.75,N(/c(cc1)ccc1OCCCC)=C\c(cc2)ccc2\C=N\c(cc3)ccc3OCCCC,0.0
20689,CO-ADD:0240884,8.75,C1(=C(C)NC(NC1=O)=O)S(=O)(=O)NCc2ccccn2,0.0
20690,CO-ADD:0250549,8.75,N1(c(cc2)ccc2C(C)CC)C(c3ccc(cc3)Br)Nc(c4C1=O)cccc4,0.0
20691,CO-ADD:0250624,8.75,n(c1ccccc1)(c2C)c(C)cc2\C=C(\NC(N3)=S)/C3=O,0.0
20692,CO-ADD:0255299,8.75,C(/CC1)(=C/c(cc2)ccc2F)\C(=O)\C(\C1)=C\c(cc3)ccc3F,0.0
20693,CO-ADD:0255750,8.75,C1(=C(C)NC(=O)NC1c2ccccc2)C(=O)OC(C)C(C)(C)C,0.0
20694,CO-ADD:0250011,8.75,C(/S\C(\C1=O)=C/c(c(cccc2)c2n3Cc4ccc(cc4Cl)Cl)c3)(=N\C(C)=O)\N1,0.0
20695,CO-ADD:0250004,8.75,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccc(cc3)C,0.0
20696,CO-ADD:0257012,8.75,N1(c2ccc(c(Cl)c2)Cl)C(c3ccc(cc3)OCC(C)C)Nc(c4C1=O)cccc4,0.0
20697,CO-ADD:0255410,8.75,c1(C(c2ccc(c(OC)c2)OC)c3c(c4ccccc4)nn(c5ccccc5)c3O)c(c6ccccc6)nn(c7ccccc7)c1O,0.0
20698,CO-ADD:0249971,8.75,C(=C(\C)/O[H])(/C1=O)\C(=N\c2ccccc2)\c(c13)cccc3,0.0
20699,CO-ADD:0253756,8.75,s1c(c(cccn2)c2)nnc1NC(=O)c3ccccc3[N+](=O)[O-],0.0
20700,CO-ADD:0241872,8.75,c12c(non1)nc(Nc3ccccc3C)c(N\N=C\c(ccc(c45)OCO4)c5)n2,0.0
20701,CO-ADD:0240426,8.75,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c3c(C)cc(c(F)c3)F)c4nonc4N,0.0
20702,CO-ADD:0240678,8.75,[N+](=O)([O-])c(cc1)ccc1C2OCCO2,0.0
20703,CO-ADD:0250217,8.75,c1(ccc(Br)o1)C(=O)N(CC2)CCN2C(=O)c3ccc(Br)o3,0.0
20704,CO-ADD:0250688,8.75,C(=O)(c1ccc(cc1)Br)Nc(cc2)ccc2\C=C\c3ccccc3,0.0
20705,CO-ADD:0250732,8.75,S(=O)(=O)(N(CC1)CCO1)c2c(C)ccc(c2)C(=O)OCC(c3ccccc3)=O,0.0
20706,CO-ADD:0250461,8.75,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C\c(ccc(c4OC)OCc5ccccc5Cl)c4,0.0
20707,CO-ADD:0256693,8.75,C(F)(F)(F)COC(CCC(=O)Nc(cc1)ccc1C(O)=O)=O,0.0
20708,CO-ADD:0250074,8.75,N(C(=O)\C(\S1)=C/c(cc2)ccc2Cl)=C1N3CCC(CC3)C,0.0
20709,CO-ADD:0256033,8.74,C(C(c1ccccc1)Oc2c3cc(cc2Br)Br)(SC(N(CC)CC)=S)C3=O,0.0
20710,CO-ADD:0256794,8.74,c1(c2ccc(cc2Cl)Cl)nnc(c3ccc(cc3)Br)o1,0.0
20711,CO-ADD:0253932,8.74,C(=C(/C#N)\C(OCC)=O)(/N(C)c(c12)cccc1)\N2N,0.0
20712,CO-ADD:0256969,8.74,c1(sc(c(ccc2[N+](=O)[O-])n1)c2)NC(=O)c3ccccc3S(O)(=O)=O,0.0
20713,CO-ADD:0255454,8.74,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cc3)ccc3[N+](=O)[O-])c4sc(c5c4C(OC)=O)CCCCC5,0.0
20714,CO-ADD:0255300,8.74,C(/C1)(=C/c(cc2)ccc2F)\C(=O)\C(\C1)=C\c(cc3)ccc3F,0.0
20715,CO-ADD:0256713,8.74,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
20716,CO-ADD:0255351,8.74,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc4ccc(cc4[N+](=O)[O-])Cl)n2,0.0
20717,CO-ADD:0250589,8.74,c1(N2CCC(CC2)Cc3ccccc3)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
20718,CO-ADD:0256494,8.74,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(cc3)c(Cl)c(c3[N+](=O)[O-])Cl,0.0
20719,CO-ADD:0255888,8.74,n1(c2ccccc2)c(SCc(cc3)ccc3C(O)=O)nnc1c4ccco4,0.0
20720,CO-ADD:0255676,8.74,S(c1ccccc1)(=O)(=O)N(CC(N)=O)c2ccc(cc2C)C,0.0
20721,CO-ADD:0253998,8.74,N1(c2ccc(cc2)Sc(cc3)ccc3[N+](=O)[O-])C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
20722,CO-ADD:0257091,8.74,c1(nc(c2n1CC(=O)N\N=C\c(ccc(c3[N+](=O)[O-])N4CCC(CC4)C)c3)cccc2)c5nonc5N,0.0
20723,CO-ADD:0255606,8.74,N1(C(C)CC(c(cccc2)c12)Nc3ccccc3)C(c4ccccc4)=O,0.0
20724,CO-ADD:0255309,8.74,C(=N/Nc1ccccc1F)(/C(N)=NN2)\C2=N,0.0
20725,CO-ADD:0250017,8.74,C(C(OCC)=O)(=C1C)\C(=C\c2cccc(cccc3)c23)\C(N1c4ccc(c(C)c4)C)=O,0.0
20726,CO-ADD:0253864,8.74,o(c(c1ccccc1)nn2)c2c(cc3)ccc3C(=O)c4c(C)cc(cc4C)C,0.0
20727,CO-ADD:0250288,8.74,C(=C\c(cc1)ccc1OCc2c(cccc2Cl)F)(/C3=O)\Sc(c34)cccc4,0.0
20728,CO-ADD:0240924,8.74,[N+](=O)([O-])c1ccc(cc1NCCOc(ccc(c2C)C)c2)N(CC3)CCO3,0.0
20729,CO-ADD:0242478,8.74,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
20730,CO-ADD:0240414,8.74,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3ccccc3Cl)c4nonc4N,0.0
20731,CO-ADD:0250325,8.74,c12c(C(CC(c3ccccc3)=C1)c4ccccc4)c(nn2c5ccccc5)C,0.0
20732,CO-ADD:0249907,8.74,n1(CC(=O)N\N=C\c(ccc2c(cc3)c(C)c(c3[N+](=O)[O-])C)o2)nnnc1N,0.0
20733,CO-ADD:0256856,8.74,n(c1c2cccc1)c(c3ccc(cc3)Cl)c(n2)c4ccccc4,0.0
20734,CO-ADD:0256632,8.74,C(=O)(N\N=C\c1ccc(cc1O)O)C(=O)Nc2c(Cl)ccc(Cl)c2,0.0
20735,CO-ADD:0255513,8.74,C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)(/c2c(N3)cccc2)\C3=O,0.0
20736,CO-ADD:0249958,8.74,C(=N\Nc(cc1)ccc1OC)(/C(N)=NN2)\C2=N,0.0
20737,CO-ADD:0256146,8.74,C(=O)(NC(C)c1ccccc1)C(=O)NC2CC2,0.0
20738,CO-ADD:0255506,8.74,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCC3C(OCC)=O)C1=O,0.0
20739,CO-ADD:0255381,8.74,N1(C2c3ccccc3)C(S\C(=C\c(ccc(c4OC)O)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
20740,CO-ADD:0255393,8.74,c1(c(ccc(c1)C(F)(F)F)Oc(cccc2C(=O)Nc(cc3)ccc3OC)c2)[N+](=O)[O-],0.0
20741,CO-ADD:0240398,8.74,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
20742,CO-ADD:0240673,8.74,N1(C(c2ccccc2)=O)C(=O)\C(\SC1=S)=C\c(cc3)ccc3Cl,0.0
20743,CO-ADD:0244775,8.74,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(=O)CC2(C)OCCO2)c1,0.0
20744,CO-ADD:0244500,8.73,C(=O)(c1cccc(c1)\N=C\c2ccccc2)N(c3ccccc3)c4ccccc4,0.0
20745,CO-ADD:0244727,8.73,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C\c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
20746,CO-ADD:0241170,8.73,N1(c(cc2)ccc2C(OC3=O)=Nc(c34)cc(c(OC)c4)OC)C(=O)c(c5C1=O)ccc(c5)C(OC6=O)=Nc(c67)cc(c(OC)c7)OC,0.0
20747,CO-ADD:0255305,8.73,n1c(c2ccc(cc2)C)csc1\C(\C#N)=C\c3ccccc3[N+](=O)[O-],0.0
20748,CO-ADD:0250319,8.73,N(c1ccccc1[N+](=O)[O-])(C(=O)C(C23)C(C=C4)OC24C)C3=O,0.0
20749,CO-ADD:0250179,8.73,c1(C#N)c(SCc2ccccc2)nsc1N\N=C\c3ccccc3,0.0
20750,CO-ADD:0253702,8.73,C(C(OCC)=O)(C(c(cc1OC)cc(c1O)Br)N2)=C(C)N(C2=O)C,0.0
20751,CO-ADD:0256150,8.73,N1(C)C(=O)\C(\SC1=S)=C/c2ccccc2Sc(cc3)ccc3Cl,0.0
20752,CO-ADD:0249915,8.73,n12c(S\C(=C\c3ccc(C)o3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
20753,CO-ADD:0256353,8.73,c12c(non1)nc(Nc(cc3)ccc3I)c(N\N=C\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4O)n2,0.0
20754,CO-ADD:0257098,8.73,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)\C=C\c4ccccc4)n1,0.0
20755,CO-ADD:0256170,8.73,S(=O)(=O)(c1ccc(cc1)\N=C\c(ccc(c2OCC)OCC)c2)Nc3ccccn3,0.0
20756,CO-ADD:0256171,8.73,c1(c2c(cccc2Cl)F)nnc(ccc(cccc3)c34)n14,0.0
20757,CO-ADD:0256097,8.73,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(ccc(c3)N(CC)CC)c3OCc4ccc(cc4Cl)Cl)nc(NCc5ccco5)n1.Cl,0.0
20758,CO-ADD:0256074,8.73,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(cc3)ccc3C(OC)=O)n1.Cl,0.0
20759,CO-ADD:0257005,8.73,C1(O)(CC(=O)c(cc2)ccc2c3ccccc3)c4c(NC1=O)ccc(CC)c4,0.0
20760,CO-ADD:0256940,8.73,C(C(OC)=O)(C(=O)\C(\N1c2ccccc2)=C/c3cccc(cccc4)c34)=C1C,0.0
20762,CO-ADD:0242290,8.73,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c(cccc4[N+](=O)[O-])c4)o3,0.0
20763,CO-ADD:0240778,8.73,[N+](=O)([O-])c1ccc(cc1C)c2ccc(\C=N\N=C(\SCC3=O)/N3)o2,0.0
20764,CO-ADD:0255903,8.73,C1(C(OCCOc2ccccc2)=O)=C(C)NC(NC1c3ccccc3OCCC)=O,0.0
20765,CO-ADD:0256967,8.73,c1(sc(c(ccc2S(C)(=O)=O)n1)c2)NC(=O)c3cccs3,0.0
20766,CO-ADD:0256683,8.73,N12C(S\C(=C\c(ccc(c34)OCO3)c4)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)ccc5OC,0.0
20767,CO-ADD:0250031,8.73,c1(\N=C\c2ccccc2OCC)sc(c3c1C(N)=O)CCCC3,0.0
20768,CO-ADD:0250016,8.73,c12c(nnc(SC(C)C)n1)c3c(cccc3)n2C,0.0
20769,CO-ADD:0255803,8.73,N1(C(=O)c(cc2)ccc2[N+](=O)[O-])C(O)(c3ccc(cc3)CC)CC(C(F)(F)F)=N1,0.0
20770,CO-ADD:0250641,8.73,C1(c2sccc2C)N(c3ccccc3)CCN1c4ccccc4,0.0
20771,CO-ADD:0253376,8.73,C(=O)(N\N=C\c1ccccc1F)C(=O)N2CCCCCC2,0.0
20772,CO-ADD:0253375,8.73,c1(N2CCC(CC2)C)nc(N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])nc(Nc5cccc(C)c5C)n1,0.0
20773,CO-ADD:0253203,8.73,C1(C(OCCOc2ccccc2)=O)=C(C)NC(NC1c3ccccc3OC)=O,0.0
20774,CO-ADD:0253315,8.73,C(=O)(Nc(ccc(c12)OCO1)c2)C(=O)NCc3ccccn3,0.0
20775,CO-ADD:0242422,8.73,C(=O)(Nc(cccn1)c1)C\C(\C)=N\NC(COc(ccc(c23)cccc2)c3)=O,0.0
20776,CO-ADD:0240468,8.73,c1(C(OCC)=O)sc(c2c1NC(=O)c3cc(Cl)cc(Cl)c3OC)CCCC2,0.0
20777,CO-ADD:0242124,8.72,c1(NC(=O)c2ccc(cc2)NC(=O)C(F)(F)F)sc(c3c1C(OCC)=O)CCCC3,0.0
20778,CO-ADD:0256321,8.72,c(cc(cc1C(=O)Nc(cc2)ccc2Cl)[N+](=O)[O-])([N+](=O)[O-])c1Nc(cc3)ccc3S(N)(=O)=O,0.0
20779,CO-ADD:0257123,8.72,c1(C(F)(F)F)nnc(NC(Cc(cc2)ccc2OC)=O)s1,0.0
20780,CO-ADD:0256917,8.72,C12(\C=N/c3cccc(C)c3C)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OC)=O)c(cccc7)c27,0.0
20781,CO-ADD:0256981,8.72,c1(C#N)c(SC)nsc1N\N=C\c(cc2)ccc2[N+](=O)[O-],0.0
20782,CO-ADD:0249921,8.72,n12c(S\C(=C\c(cc3)ccc3OC(C)=O)\C1=O)nc(cc(C)c(C)c4)c24,0.0
20783,CO-ADD:0255517,8.72,N1(c2ccccc2)C(=O)C(CC1=O)NCc(cc3)ccn3,0.0
20784,CO-ADD:0255736,8.72,c1(Sc2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])nnnn1c3ccccc3,0.0
20785,CO-ADD:0256140,8.72,n1c(c2ccc(c3c2)cccc3)csc1Nc(cc4)ccc4Oc5ccccc5.Br,0.0
20786,CO-ADD:0253280,8.72,c1(C#N)c(SC)nsc1N\N=C\c2cccc(O)c2,0.0
20787,CO-ADD:0253933,8.72,[n+]1(c2c(n3C)cccc2)c3SCC(c4ccccc4)=N1.[Br-],0.0
20788,CO-ADD:0250328,8.72,C(/c1c2cccc1)(\c3c2cccc3)=N/NC(=O)c(cc4)ccc4C(=O)N(C(C)C)C(C)C,0.0
20789,CO-ADD:0250176,8.72,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(=O)NCC(C)C,0.0
20790,CO-ADD:0256314,8.72,N1(c(ccc(c2C#N)C#N)c2)C(=O)c3c(C(c4ccccc4)=N1)cccc3,0.0
20791,CO-ADD:0257035,8.72,c(CC(NC(=O)Oc1ccccc1)C(=O)Nc2ccccc2OC)(c3c([nH]4)cccc3)c4,0.0
20792,CO-ADD:0242063,8.72,c1(cc(c2o1)cccc2)C(=O)Nc3cc(C)ccn3,0.0
20793,CO-ADD:0246178,8.72,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc4cc(Br)cc(cccn5)c45,0.0
20794,CO-ADD:0250442,8.72,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4)ccc4SC)\C1=O,0.0
20795,CO-ADD:0256678,8.72,C(C(OC)=O)(=C1C)\C(=C\c(cc2)ccc2C(OC)=O)\C(N1CC=C)=O,0.0
20796,CO-ADD:0250518,8.72,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n1,0.0
20797,CO-ADD:0255297,8.72,C(/C1)(=C/c2ccc(cc2Cl)Cl)\C(=O)\C(\C1)=C\c3ccc(cc3Cl)Cl,0.0
20798,CO-ADD:0249916,8.72,n12c(S\C(=C\c(cc(I)cc3I)c3OCC#C)\C1=O)nc(cc(C)c(C)c4)c24,0.0
20799,CO-ADD:0256198,8.72,s1c(c(cccn2)c2)nnc1NC(=O)C34CC(CC5C3)CC(C5)C4,0.0
20800,CO-ADD:0255295,8.72,C(/C1)(=C/c2ccccc2Cl)\C(=O)\C(\C1)=C\c3ccccc3Cl,0.0
20801,CO-ADD:0255741,8.72,n1(nnc(C(OC)=O)c1CN2CCCCC2)c3nonc3N,0.0
20802,CO-ADD:0250398,8.72,c1(C#N)c2c(sc1\N=C\c3cc(Br)ccc3OC(C)C)CCCC2,0.0
20803,CO-ADD:0256002,8.72,C(C(OCC)=O)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
20804,CO-ADD:0252759,8.72,N1(N=C(CC1=O)C)c2sc(c3n2)cccc3,0.0
20805,CO-ADD:0252761,8.71,C1(c2ccccc2Cl)=N\C(\C(=O)O1)=C\c3ccc(cc3Cl)Cl,0.0
20806,CO-ADD:0247418,8.71,c1(sc2c(ccc(C)c2)n1)NC(=O)c(cccc3N4C(=O)CCC4=O)c3,0.0
20807,CO-ADD:0247389,8.71,n1(nnc(C(=O)N\N=C\CCc2ccccc2)c1CN(CC)CC)c3nonc3N,0.0
20808,CO-ADD:0250171,8.71,S(=O)(=O)(N(c1ccccc1)CC(NCCc2ccccc2)=O)c3ccccc3[N+](=O)[O-],0.0
20809,CO-ADD:0254041,8.71,N1(CC)C(=O)\C(\SC1=S)=C/c(ccc2c(cc3)ccc3C(O)=O)o2,0.0
20810,CO-ADD:0250251,8.71,C(=O)(Nc1cc(OC)cc(cccn2)c12)c3ccccc3Cl,0.0
20811,CO-ADD:0256160,8.71,N1(C(c2ccccc2)=O)N=C(CC1(O)c(cccc3[N+](=O)[O-])c3)C(F)(F)F,0.0
20812,CO-ADD:0255968,8.71,c1(O)c(cccc1\C=N\c(ccc(c2Cl)Cl)c2)O,0.0
20813,CO-ADD:0255426,8.71,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc(cc2)ccc2C(O)=O)Cl,0.0
20814,CO-ADD:0255570,8.71,n1(nnc(C(OC)=O)c1CSc2sc(c3n2)cccc3)c4nonc4N,0.0
20815,CO-ADD:0256701,8.71,C(c(cc1)ccc1C#CC(C)(C)O)(c(cc2)ccc2C#CC(C)(C)O)(C(F)(F)F)C(F)(F)F,0.0
20816,CO-ADD:0253609,8.71,C(=S)(c(cc1)cc(c1OC(=O)c(cc2OC)cc(c2OC)OC)OCC)N(CC3)CCO3,0.0
20817,CO-ADD:0256144,8.71,C(=O)(OC(C)C)C(Cc(cc1)ccc1F)NC(C)=O,0.0
20818,CO-ADD:0253773,8.71,n1(c2cccc(cccc3)c23)nnnc1SCC(=O)NCC4CCCO4,0.0
20819,CO-ADD:0250265,8.71,n1(C(=O)\C=C\c(cc2)ccc2[N+](=O)[O-])c3c(nn1)cccc3,0.0
20820,CO-ADD:0253916,8.71,C(c1ccccc1)(=O)Nc(cccc2\C(\C)=N\NC(=O)c3ccc(cc3)CN(CCc(c45)cccc4)C5)c2,0.0
20821,CO-ADD:0256529,8.71,c1(c(O)c2c(c(NS(=O)(=O)c3ccc(cc3)Cl)c1)cccc2)S(=O)(=O)c4ccc(cc4)C,0.0
20822,CO-ADD:0257129,8.71,c1(SCC(=O)Nc2nncs2)oc(c3n1)cccc3,0.0
20823,CO-ADD:0255288,8.71,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(c(OC)c2)OC,0.0
20824,CO-ADD:0253538,8.71,n(Cc(cc1)ccc1Cl)(c2)c3c(n2)cc(C)c(C)c3,0.0
20825,CO-ADD:0253384,8.71,c12c(c3c(NC(C)O1)cccc3)nnc(SCCC)n2,0.0
20826,CO-ADD:0250136,8.71,C(=O)(N\N=C(/CCC1)\C1)C(=O)Nc(cc2)ccc2F,0.0
20827,CO-ADD:0250105,8.71,N1(CC(=O)Nc2scc(c3ccccc3)n2)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
20828,CO-ADD:0253425,8.71,N(=C(\C)/c(cc1)ccc1C(C)(C)C)/NC(c(cc2)ccn2)=O,0.0
20829,CO-ADD:0241663,8.71,N12C(S\C(=C/c(cc3)ccn3)\C1=O)=C(C(c(cc4)ccn4)C(C(OCC)=O)=C2N)C#N,0.0
20830,CO-ADD:0240698,8.71,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C(/CCC2)\C2,0.0
20831,CO-ADD:0245319,8.71,N(\C(=C/c(cc1)ccc1OC(=O)c2ccc(cc2)OC)\C(O3)=O)=C3c4ccc(cc4)C,0.0
20832,CO-ADD:0240290,8.71,N1(c2ccc(cc2)F)C(=O)C(CC1=O)S\C(\N)=N/c3ccccc3,0.0
20833,CO-ADD:0252953,8.71,S(CCCCCCCCCC)(=O)(=O)N\N=C\c(cc1)ccc1Br,0.0
20834,CO-ADD:0254394,8.71,C(=O)(N\N=C\c1ccccc1OCCC)c2ccc(cc2)OCCC,0.0
20835,CO-ADD:0250620,8.71,C(=N\c1ccccc1Cl)(/S\C(\C2=O)=C\c(ccs3)c3)\N2,0.0
20836,CO-ADD:0250484,8.71,C12(\C=N/c(cc3)ccc3CC)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OC)=O)c(cccc7)c27,0.0
20837,CO-ADD:0256238,8.71,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C(\c5c(N6)cccc5)/C6=O)\C7=O)N37)N(C(=O)N1C)C,0.0
20838,CO-ADD:0256983,8.71,N1(Cc2ccccc2)C(=O)C(NC1=S)Cc(c3)[nH]cn3,0.0
20839,CO-ADD:0250657,8.71,C(C(OCC)=O)(C1c2scc(Br)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
20840,CO-ADD:0256451,8.71,c1(SCC(=O)Nc(ccc(c2s3)nc3SC)c2)[nH]c(c4n1)cccc4,0.0
20841,CO-ADD:0250218,8.71,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c(c2)cc(cc2C(=O)OCC(=O)c(cc3)ccc3[N+](=O)[O-])C(=O)OCC(=O)c(cc4)ccc4[N+](=O)[O-],0.0
20842,CO-ADD:0253672,8.71,c1(NC(=O)CCOc2ccccc2)sc(c(C)c1C(OCC)=O)C,0.0
20843,CO-ADD:0253633,8.71,S1(=O)(=O)c(cccc2)c2C(NN(C(=O)c3ccc(cc3)Cl)S(c4ccccc4)(=O)=O)=N1,0.0
20844,CO-ADD:0253179,8.71,n(c1C)(nnc1C(=O)N\N=C\c2cccc(Cl)c2)c3nonc3N,0.0
20845,CO-ADD:0250000,8.71,c1(OC(N)=C(C2c3ccc(cc3Cl)Cl)C#N)c2c(n[nH]1)CCC,0.0
20846,CO-ADD:0255655,8.71,S(=O)(=O)(N1CCCCC1)c2c(Cl)ccc(c2)C(=O)Oc(cccc3NC(=O)c4ccccc4Cl)c3,0.0
20847,CO-ADD:0250424,8.71,n12c(S\C(=C/c(cc(Br)cc3Br)c3OC)\C1=O)nc(cc(C)c(C)c4)c24,0.0
20848,CO-ADD:0255376,8.71,C(F)(F)(F)c(cc(cc1C(F)(F)F)C(NCCOc2cccc(cccc3)c23)=O)c1,0.0
20849,CO-ADD:0253367,8.71,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cc4)ccc4OCc5ccccn5,0.0
20850,CO-ADD:0241481,8.71,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)CC)SC(=NN2c6ccccc6)C(c7ccccc7)=O,0.0
20851,CO-ADD:0241177,8.71,N1(C(=O)c(c2C1=O)ccc(c2)C(OC3=O)=Nc(c34)cc(c(OC)c4)OC)N5C(=O)c6c(cccc6)C5=O,0.0
20852,CO-ADD:0255200,8.7,c1(N\N=C\c(cc2)ccc2OCc3ccccc3)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
20853,CO-ADD:0252596,8.7,C12(C(C)=NN(c3ccccc3)C1=O)C(C24C(C)=NN(c5ccccc5)C4=O)c(cccc6[N+](=O)[O-])c6,0.0
20854,CO-ADD:0247885,8.7,C(=O)(C(C)(C)C)Nc(cccc1C(=O)Nc(cc2)ccc2OC)c1,0.0
20855,CO-ADD:0255154,8.7,C(=C\c1ccccc1Cl)(/C=C(O2)c(cc3)ccc3C(C)C)\C2=O,0.0
20856,CO-ADD:0254482,8.7,c1(CN(CC2)CCO2)ccc(COCCC)o1,0.0
20857,CO-ADD:0247843,8.7,S(N)(=O)(=O)c1ccc(cc1)CNC(=O)c(cc2)ccc2C(=O)N(C3CCCCC3)C4CCCCC4,0.0
20858,CO-ADD:0248079,8.7,c1(cc(Cl)cc(Cl)c1O)C(=O)N\N=C\c2c(OC)ccc(cccc3)c23,0.0
20859,CO-ADD:0252965,8.7,C(=C\c1ccccn1)(/c2c3cccc2)\c4c3cccc4,0.0
20860,CO-ADD:0252986,8.7,c(c(CCCC)sc1c2c3c(CCCCCC3)nc(N)c2C#N)([N+](=O)[O-])c1,0.0
20861,CO-ADD:0253010,8.7,S(=O)(=O)([O-])c1ccc(cc1)NC(COc(ccc2c3OC(C=C2C)=O)c3)=O.[Na+],0.0
20862,CO-ADD:0252357,8.7,C(Cl)(C(c1ccccc1)=O)c2ncc(cn2)c3ccccc3,0.0
20863,CO-ADD:0253284,8.7,c1(C#N)c(SC)nsc1N\N=C\c2c(O)ccc(cccc3)c23,0.0
20864,CO-ADD:0253262,8.7,N1(c(cccc2C(=O)N\N=C/c3cccc(O)c3)c2)Cc4c(cccc4)C1,0.0
20865,CO-ADD:0253870,8.7,N(=C(/C)\c1ccc(c(OC)c1)OC)/NC(CSCc(cc(C)cc2C)c2)=O,0.0
20866,CO-ADD:0255883,8.7,C1(COc2ccccc2)=NN(CN1c3ccccc3)SCC(=O)NC4CCCCC4,0.0
20867,CO-ADD:0254088,8.7,c1(c(Cl)cc(cc1Cl)Cl)N\N=C(/C)\c(cccn2)c2,0.0
20868,CO-ADD:0253401,8.7,c1(n2cccc2\C=N\NC(N)=S)sc(c3c1C#N)CCCC3,0.0
20869,CO-ADD:0301108,8.7,c1(NCc2ccccc2OCc3ccccc3Cl)nnc[nH]1,0.0
20870,CO-ADD:0305235,8.7,N1(c2ccccc2OC)C(=O)c3c(NC1c4c(C)nn(c5ccccc5)c4O)cccc3,0.0
20871,CO-ADD:0305229,8.7,C(/c1ccc(c(OC)c1)OC)(=N\OC(=O)c(cc2)ccc2[N+](=O)[O-])\c3nccc(cc(c(OC)c4)OC)c34,0.0
20872,CO-ADD:0300441,8.7,C(=N\c(cc1)ccc1OC)(/SC(C(=O)Nc(cc2)ccc2OC)CC3=O)\N3CCN(CC4)CCO4,0.0
20873,CO-ADD:0305320,8.7,c1(SCc(c(OC)ccc2C(C)=O)c2)sc(c3n1)cccc3,0.0
20874,CO-ADD:0303610,8.7,c1(cc(oc1C)C)C(=O)Nc(cc2)ccc2N(C)C,0.0
20875,CO-ADD:0302671,8.7,N1(c(ccc(c2s3)nc3SCc(c(OC)ccc4[N+](=O)[O-])c4)c2)C(=O)C(C5C1=O)C(CC56)C=C6,0.0
20876,CO-ADD:0254793,8.7,n1c(N)[nH]nc1c2ccccc2Br,0.0
20877,CO-ADD:0254936,8.69,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)\C(\C(C)=N1)=C\NCCN(CC3)CCN3C(=O)C45CC(CC6C4)CC(C6)C5,0.0
20878,CO-ADD:0254322,8.69,N1(c2ccccc2)\C(=N\N=C(/C)\c3ccc(cc3)C)\SC(CC(O)=O)C1=O,0.0
20879,CO-ADD:0249360,8.69,[N+](=O)([O-])c1ccc(cc1C)C(=O)NCC2CCCO2,0.0
20880,CO-ADD:0249315,8.69,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc(cc4)ccc4C(OC)=O,0.0
20881,CO-ADD:0247462,8.69,C(COc1cccc(C)c1)(=O)N\N=C\C(\Br)=C\c2ccccc2,0.0
20882,CO-ADD:0249534,8.69,C(=O)(c1ccc(cc1)C)NNC(COc2c(C)ccc(C(C)C)c2)=O,0.0
20883,CO-ADD:0249139,8.69,N(C(=O)\C(\S1)=C/c2ccccc2)=C1N3CCCCCC3,0.0
20884,CO-ADD:0249126,8.69,c1(SCC(=O)Nc(cc2)ccc2F)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
20885,CO-ADD:0249002,8.69,n1(c2ccccc2)c(c3cccc(Br)c3)nnc1Sc4ccc(cc4[N+](=O)[O-])C(F)(F)F,0.0
20886,CO-ADD:0249337,8.69,C1(O)(CC(=O)c2ccccc2O)c3c(N(C)C1=O)cccc3,0.0
20887,CO-ADD:0249026,8.69,c1(C(F)(F)F)nc(sc1c2ccccc2)Nc3c(Cl)ccc(Cl)c3,0.0
20888,CO-ADD:0249791,8.69,[N+](=O)([O-])\N=C(/N)\N\N=C\c1c[nH]nc1c2ccccc2,0.0
20889,CO-ADD:0252855,8.69,c1(cc(ccc1Sc2cccc(ccc(C)n3)c23)C(F)(F)F)[N+](=O)[O-],0.0
20890,CO-ADD:0249268,8.69,[N+](=O)([O-])\C=C\c(ccc(c1OCC)O)c1,0.0
20891,CO-ADD:0305051,8.69,c1(cc(F)c(cc1Cl)F)C(=O)Nc2ccc(c(cccn3)c23)Br,0.0
20892,CO-ADD:0300765,8.69,C(=O)(Nc1ccccn1)c2ccccc2N,0.0
20893,CO-ADD:0300789,8.69,C(=C/c(cc1OC)cc(c1OC)OC)(/C2=O)\c3c(O2)ccc4c3OC(=O)C=C4C,0.0
20894,CO-ADD:0304698,8.69,n1(N)c(N)nnc1N.Br,0.0
20895,CO-ADD:0300691,8.69,C1(C#N)=C(N)OC(=C2C1c3cccc(OC)c3OC(=O)c4ccco4)CCCC2=O,0.0
20896,CO-ADD:0300450,8.69,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(N(CCc(ccc(c3OC)OC)c3)C1=S)CC(NC)=O,0.0
20897,CO-ADD:0300428,8.69,N1(Nc2c(F)c(F)c(c(F)c2F)F)\C(=N/c(cc3)ccc3Cl)\SC(C(=O)Nc(cc4)ccc4OC)CC1=O,0.0
20898,CO-ADD:0304848,8.69,N1(c2cccc(Cl)c2)C(=O)C(N(CCc3ccccc3)C1=S)CC(=O)Nc(cc4)ccc4C(OCC)=O,0.0
20899,CO-ADD:0304784,8.69,c1(scc(c2ccc(cc2)C)n1)\C(\C#N)=C(/CC3)\CCC3c4ccccc4,0.0
20900,CO-ADD:0301594,8.69,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(ccc5c6c(cccc7)c7n5CC)c6)cccc4,0.0
20901,CO-ADD:0303845,8.69,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)Nc3ccc(cc3F)Cl,0.0
20902,CO-ADD:0302440,8.69,N1(C(=O)Cn2c(C)cc(C)n2)C(O)(c3ccccc3)CC(C(OCC)=O)=N1,0.0
20903,CO-ADD:0249771,8.68,C(=C/c(ccc(c1[N+](=O)[O-])OC)c1)(/C(C)=NN2c3ccccc3)\C2=O,0.0
20904,CO-ADD:0248878,8.68,c1(Sc2ccc(\C=N\c(ccc(c3s4)nc4SCC=C)c3)o2)nnnn1c5ccccc5,0.0
20905,CO-ADD:0252913,8.68,n12c(S\C(=C\c3ccc(cc3Cl)Cl)\C1=O)nc(cc(C)c(C)c4)c24,0.0
20907,CO-ADD:0247644,8.68,c1(ccc(cc1Cl)Cl)C(=O)N\C(=C\c2ccccc2)\C(NC)=O,0.0
20908,CO-ADD:0249715,8.68,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c(ccc2c3cccc(Cl)c3)o2,0.0
20909,CO-ADD:0249265,8.68,N1C(=O)\C(\NC1=S)=C/c2cccc(c2)OCc3ccccc3,0.0
20910,CO-ADD:0249623,8.68,c1(Cl)c(cccc1NC(=O)CC(C)=O)Cl,0.0
20911,CO-ADD:0249256,8.68,C(=O)(c(cc1)ccc1C(=O)NCc2ccccc2)N(C(C)C)C(C)C,0.0
20912,CO-ADD:0249444,8.68,c12c(cccn1)cccc2N\N=C\c(cc3)ccc3OCc4ccccc4,0.0
20913,CO-ADD:0249703,8.68,C1(C(=O)OCC(C)C)=C(C)NC(=O)NC1c(cc2)ccc2N(C)C,0.0
20914,CO-ADD:0300565,8.68,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2C(=O)N3CCCCC3)c1)Nc4ccccc4,0.0
20915,CO-ADD:0300724,8.68,[N+](=O)([O-])c1ccc(cc1NC(C)CCc2ccccc2)N(CC3)CCN3C(=O)c4ccccc4F,0.0
20916,CO-ADD:0301005,8.68,[N+](=O)([O-])c1cccc(OCCCC(O)=O)c1,0.0
20917,CO-ADD:0305265,8.68,c1(C2(CCCC2)Nc3cccc(OC)c3)nnnn1c4ccc(cc4)C,0.0
20918,CO-ADD:0303888,8.68,C1(C2c3ccccc3)=C(CC(C)(C)CC1=O)c4c(ccc5c4cccn5)N2,0.0
20919,CO-ADD:0304134,8.68,O=Cc(cc1)ccc1OCc2cccc(Cl)c2,0.0
20920,CO-ADD:0255134,8.68,S(=O)(=O)(N(c1ccccc1)CC(=O)NCc(cc2)ccc2OC)c3ccccc3[N+](=O)[O-],0.0
20921,CO-ADD:0249486,8.68,c1(cc(cc(N)c1O)[N+](=O)[O-])[N+](=O)[O-],0.0
20922,CO-ADD:0252788,8.68,c1(SCc(cc2)ccc2I)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Cl)n1,0.0
20923,CO-ADD:0254538,8.68,c12c(c3c(cccc3)[nH]1)nnc(SCc4cccc(Cl)c4)n2,0.0
20924,CO-ADD:0247673,8.68,c1(c(ccc(c1)C(F)(F)F)N\N=C\c(cc2)ccc2OC)[N+](=O)[O-],0.0
20925,CO-ADD:0248926,8.68,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
20926,CO-ADD:0248980,8.68,C(=O)(NNC(=O)c1ccccc1Br)C(=O)NC(C)(C)C,0.0
20927,CO-ADD:0248026,8.68,C1(C(=O)Nc(cc2)ccc2C(O)=O)=Cc(cc(Br)cc3Br)c3OC1=O,0.0
20928,CO-ADD:0247736,8.68,c1(ccccc1NC(CCl)=O)C(=O)NNC(CCl)=O,0.0
20929,CO-ADD:0300952,8.68,S(=O)(=O)(c1ccc(c(OC)c1)OC)N2CCCC2C(O)=O,0.0
20930,CO-ADD:0300984,8.68,S(=O)(=O)(c1ccc(cc1)CCNC(=O)c2cccs2)N3CCCC3,0.0
20931,CO-ADD:0300525,8.68,c1(cc(ccc1Sc2ccccn2)C(C)=O)[N+](=O)[O-],0.0
20932,CO-ADD:0301061,8.68,[N+](=O)([O-])c1c(Br)ccc(C(=O)c2ccc(cc2)Cl)c1,0.0
20933,CO-ADD:0304701,8.67,c1([N+](=O)[O-])nn(c(NCCC(OC)=O)n1)C,0.0
20934,CO-ADD:0304799,8.67,C(/c1c(C2=O)cccc1)(\O2)=C/C(=O)N(CC3)CCO3,0.0
20935,CO-ADD:0305108,8.67,C1(=O)N(CC)c(c(c2)N1CC)cc(c2[N+](=O)[O-])OC,0.0
20936,CO-ADD:0300786,8.67,C(/C#N)(\C(OCC=C)=O)=C/c(ccc1c2ccc(cc2)Cl)o1,0.0
20937,CO-ADD:0255075,8.67,C1(C(=O)OCc2ccccc2)=C(C)NC(=C3C1c4cc(OC)ccc4OC)CCCC3=O,0.0
20938,CO-ADD:0248968,8.67,n1(nnc(C(=O)N\N=C\c2cccc(Cl)c2)c1CN3CCCCC3)c4nonc4N,0.0
20939,CO-ADD:0248897,8.67,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c4cccc(OC)c4)C2,0.0
20940,CO-ADD:0247652,8.67,C(/NCCOc(cc1)ccc1F)(=N\Nc(cc2)ccc2[N+](=O)[O-])\C(F)(F)F,0.0
20941,CO-ADD:0247729,8.67,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])Nc2ccccc2OCC)c1)CS(=O)(=O)c(ccc(c3[N+](=O)[O-])Nc4ccccc4OCC)c3,0.0
20942,CO-ADD:0247480,8.67,[N+](=O)([O-])c1cccc(NCCC(=O)c(cccc2[N+](=O)[O-])c2)c1,0.0
20943,CO-ADD:0247521,8.67,N1(\N=C\C=C\c2ccccc2)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
20944,CO-ADD:0249172,8.67,C(COc1cccc(C)c1)(=O)N\N=C(/C)\CC(=O)NCc2ccccc2OC,0.0
20945,CO-ADD:0247853,8.67,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n1,0.0
20946,CO-ADD:0255011,8.67,C1(c2ccc(cc2)CC)(c3ccc(cc3)CC)CC1C(=O)Nc(cc4)ccc4Cl,0.0
20947,CO-ADD:0248867,8.67,C1(c2ccccc2)(c3ccccc3)CC1C(=O)NCc(cccn4)c4,0.0
20948,CO-ADD:0248125,8.67,c1(NC(COc(ccc(c23)cccc2)c3)=O)nnc(CC)s1,0.0
20949,CO-ADD:0252947,8.67,n1c2c(cccc2)ccc1SCC(=O)Nc3ccc(cc3C)C,0.0
20950,CO-ADD:0252362,8.67,N1(CC)C(=O)\C(\OC1=S)=C/Nc2ccccc2,0.0
20951,CO-ADD:0300758,8.67,C12=C(CC(C)(C)CC1=O)NN=C(c3ccccc3)CC2c4ccccc4,0.0
20952,CO-ADD:0301157,8.67,C1(O)(CC(=NN1C(CCc2ccccc2)=O)CC)C(F)(F)F,0.0
20953,CO-ADD:0300701,8.67,C(OC)(=O)c(cc1)ccc1C2OCCCO2,0.0
20954,CO-ADD:0300991,8.67,c1(Sc2ccc(cc2[N+](=O)[O-])C(=O)N3CCCC3)nnc(Cc4ccccc4)n1c5ccccc5,0.0
20955,CO-ADD:0304970,8.67,N1(c(ccc(c2s3)nc3SCC(=O)N4CCc(cccc5)c45)c2)C(=O)C6C(CCCC6)C1=O,0.0
20956,CO-ADD:0252640,8.67,c1(cc(OC)ccc1NC(=O)C\C(\C)=N\NC(=O)c2ccccc2O)[N+](=O)[O-],0.0
20957,CO-ADD:0252261,8.67,n12c(cc(c3ccccc3)n1)nc(C)c(c4ccccc4)c2N,0.0
20958,CO-ADD:0252210,8.67,c1(O)c(OC)cc(cc1I)\C=N/NC(=O)c2ccc(cc2)Br,0.0
20959,CO-ADD:0254683,8.67,c1(nc(c2n1CC(=O)N\N=C/c(cc(I)cc3I)c3OCC#C)cccc2)c4nonc4N,0.0
20960,CO-ADD:0249627,8.67,C12(Br)C(C)=C(C(OCC)=O)C(C(C1C3=O)C(N3c4ccc(cc4)OCC)=O)(C(C2C5=O)C(N5c6ccc(cc6)OCC)=O)C,0.0
20961,CO-ADD:0249513,8.67,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\C=C\c(cc3)ccc3N(C)C,0.0
20962,CO-ADD:0248875,8.67,n(Cc1ccc(cc1Cl)Cl)(c2c(c3\C=N\Nc(nc(Nc(ccc(c4Cl)C)c4)nc5N(CC)CC)n5)cccc2)c3,0.0
20963,CO-ADD:0248959,8.67,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)S\C(\NCCc3ccccc3)=N\c4ccccc4,0.0
20964,CO-ADD:0249491,8.67,C(=N\c(cc1)ccc1C)(/c2c(N3)cccc2)\C3=O,0.0
20965,CO-ADD:0252618,8.67,N(\C(=C\c1ccc(cc1Cl)Cl)\C(O2)=O)=C2c(cccc3[N+](=O)[O-])c3,0.0
20966,CO-ADD:0254913,8.67,c1(CC(=O)Nc(cc2)ccc2Cl)c(SC)c(c3n1C)cc(cc3)C,0.0
20967,CO-ADD:0301200,8.67,C(CCC(O)c1ccc(cc1)OCC)(=O)Nc(cc2)ccc2C,0.0
20968,CO-ADD:0304979,8.67,c1(cc(OC)ccc1NC(CSc(cc2)ccn2)=O)[N+](=O)[O-],0.0
20969,CO-ADD:0300328,8.67,N1(c2ccccc2)CC(CC1=O)C(=O)NC(CC3)CCC3C(C)(C)C,0.0
20970,CO-ADD:0300502,8.67,c1(N=NC(=O)C(CCC)(CCC)O)c2c(n(CC)c1O)cccc2,0.0
20971,CO-ADD:0300550,8.67,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cccc(c5)OCc6ccccc6)cccc4,0.0
20972,CO-ADD:0300278,8.67,N1(c2ccccc2)C(=O)\C(=C\c3cccn3C)\C(NC1=S)=O,0.0
20973,CO-ADD:0305041,8.67,c1(c2c(oc1C(C)=O)cccc2)NC(=O)c(cc3)ccc3C(F)(F)F,0.0
20974,CO-ADD:0301037,8.66,c(C(C)=O)(c(C)n(n1)c(cc2)ccc2[N+](=O)[O-])n1,0.0
20975,CO-ADD:0252695,8.66,C12(OC(C(C(OC3=O)=O)C13)c4ccc(cc4)Cl)C(=O)c(c5C2=O)cccc5,0.0
20976,CO-ADD:0252641,8.66,N(=C(\CCCC(=O)c1ccc(cc1)OC)/c2ccc(cc2)OC)/NC(c3ccccc3)=O,0.0
20977,CO-ADD:0252588,8.66,S(C)(=O)(=O)N(CCC)CCC#N,0.0
20978,CO-ADD:0252881,8.66,C(C(=O)OCc1ccccc1)(C2c3ccccc3)=C(C)NC(CCCC4=O)=C24,0.0
20979,CO-ADD:0253103,8.66,N1=C(SCC(=O)Nc2cccc(Cl)c2)NC(C(c3ccccc3)C1=O)=O,0.0
20980,CO-ADD:0252413,8.66,c1(NN\C(\C)=C/C(OCC)=O)nc(C)cc(COC)c1C#N,0.0
20981,CO-ADD:0252403,8.66,c1(N(CC2)CCO2)nc(N\N=C\c(cc(I)cc3I)c3OCC#C)nc(Nc(cc4)ccc4F)n1.CC(=O)O,0.0
20982,CO-ADD:0252216,8.66,c1(cc(Cl)cc(\C=N\NC(=O)c2ccccc2O)c1O)[N+](=O)[O-],0.0
20983,CO-ADD:0249189,8.66,n1(nnc(C(=O)N\N=C(/C)\c2ccc(cc2)Br)c1CN3CCCCCC3)c4nonc4N,0.0
20984,CO-ADD:0249395,8.66,c1(N2CCCCC2)nc(OC)nc(N\N=C\c(cc3)ccc3C)n1,0.0
20985,CO-ADD:0254685,8.66,N1(CC(CC1C(=O)Nc2ccc(cc2C)I)O)C(=O)Oc3ccccc3,0.0
20986,CO-ADD:0249293,8.66,s1c(C2CCCCC2)nnc1NC(CC(C)C)=O,0.0
20987,CO-ADD:0248995,8.66,c(C(OCC)=O)(c(C)nn1Cc2ccccc2)c1N,0.0
20988,CO-ADD:0249707,8.66,N1(c2ccccn2)C(=O)c3c(cc(cc3)Oc(cc4)ccc4Oc(cccc5C(O)=O)c5)C1=O,0.0
20989,CO-ADD:0248230,8.66,C1(=O)N(\N=C\c2cccc(Cl)c2)C(C)=CC(C)=C1C(N)=O,0.0
20990,CO-ADD:0249742,8.66,N1(c2cccc(C)n2)C(=O)c3c(cccc3)C1=O,0.0
20991,CO-ADD:0255092,8.66,c(C(O)=O)(c1c2cccc1)cc(n2)c3ccc(cc3)OC,0.0
20992,CO-ADD:0248233,8.66,n12c(ccc(N\N=C\c(cccc3[N+](=O)[O-])c3O)n1)nnc2C(F)(F)F,0.0
20993,CO-ADD:0254927,8.66,n(nnc1C(=O)N\N=C(/C)\c(cc2)ccn2)(c1COC)c3nonc3N,0.0
20994,CO-ADD:0253077,8.66,c1(C(C)=O)coc(ccc(OCCN2CCCCC2)c3)c13,0.0
20995,CO-ADD:0252422,8.66,c(C(=O)N\N=C\c1cc(Br)ccc1OC)(c(C)on2)c2c3ccccc3,0.0
20996,CO-ADD:0247960,8.66,n(c(c1)c2ccc1C(=O)N3CCC(CC3)C)c(c4ccccc4)c(n2)c5ccccc5,0.0
20997,CO-ADD:0248149,8.65,c12c(nnc(SCC(=O)Nc3sc(c(ccc4[N+](=O)[O-])n3)c4)n1)c5c(cccc5)n2CC=C,0.0
20998,CO-ADD:0247613,8.65,N1(c2ccc(c3c2)cccc3)C(c(cc4)ccc4[N+](=O)[O-])Nc(c5C1=O)cccc5,0.0
20999,CO-ADD:0304561,8.65,c1(NC(=O)c2ccccc2F)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OCC,0.0
21000,CO-ADD:0300871,8.65,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCOc4ccccc4,0.0
21001,CO-ADD:0300903,8.65,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)c4ccccc4Cl,0.0
21002,CO-ADD:0300473,8.65,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3C(OC)=O)n2)Cc(ccc(c4Cl)Cl)c4,0.0
21003,CO-ADD:0300985,8.65,C(=O)(NC(CC(CC1C2)CC23)(C3)C1)c4ccccc4O,0.0
21004,CO-ADD:0300890,8.65,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC4CC4,0.0
21005,CO-ADD:0300405,8.65,[C@]1(C)(C(CCC(C1CC2)C([C@]23C)CC[C@]3(C)O)Cc4c5con4)C5,0.0
21006,CO-ADD:0304734,8.65,c1(n(C)c2c(cccc2)n1)c3nonc3NC(CC)=O,0.0
21007,CO-ADD:0254402,8.65,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C\c2ccc(C)o2,0.0
21008,CO-ADD:0252453,8.65,c1(SCC(OCC(=O)Nc(cc2)ccc2OC)=O)nc(C)cc(C)n1,0.0
21009,CO-ADD:0253071,8.65,c12c(nnc(SCCN(CC3)CCO3)n1)c4c(cccc4)n2CCC,0.0
21010,CO-ADD:0248981,8.65,C(F)(F)(F)c(ccc(n1)N\N=C(\CCCCCCCCCC2)/C2)c1.CC(=O)O,0.0
21011,CO-ADD:0249357,8.65,S(=O)(=O)(c1ccc(cc1C)Br)n2ccnc2C,0.0
21012,CO-ADD:0249322,8.65,N(c1cccc(Cl)c1C)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
21013,CO-ADD:0249030,8.65,c1(N\N=C(/C)\c2ccc(cc2)C)sc(c3n1)cccc3,0.0
21014,CO-ADD:0248935,8.65,c1(c(C)non1)N(Cc2ccccc2[N+](=O)[O-])N=Nc3c(C)non3,0.0
21015,CO-ADD:0249037,8.65,N1(C(=O)c(c(c2)C1=O)ccc2S(=O)(=O)c(ccc(c3C4=O)C(N4C5=CNC(NC5=O)=O)=O)c3)C6=CNC(NC6=O)=O,0.0
21016,CO-ADD:0305010,8.65,c1(c2c3ccccc3)n(c4c(cccc4)n1)cc(c5ccc(cc5)Br)n2,0.0
21017,CO-ADD:0300665,8.65,C1(=COc(c2C1=O)ccc(Cl)c2)C3Nc4c(NC(CC(c5ccc(c(OC)c5)OC)CC6=O)=C36)cccc4,0.0
21018,CO-ADD:0300673,8.64,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5)ccc5c6ccccc6)cccc4,0.0
21019,CO-ADD:0301201,8.64,N1(CN(CC2)CCN2C(c3ccccc3)c4ccccc4)C(=O)\C(\SC1=S)=C/c5ccco5,0.0
21020,CO-ADD:0300343,8.64,C1(OCC(CO1)(C)c2ccccc2)(c3c(N4CN5CCCC(C)C5)cccc3)C4=O,0.0
21021,CO-ADD:0304769,8.64,c1(C(O)=O)cc(c(cc(C(C)(C)C)c(c2C(C)(C)C)O)c2)nc(ccc(cccc3)c34)c14,0.0
21022,CO-ADD:0300959,8.64,c1(cc(cccc2)c2nc1N)C(=O)Nc3ccccc3,0.0
21023,CO-ADD:0304938,8.64,N1(c(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4OCC)c2)C(=O)c5c(cccc5)C1=O,0.0
21024,CO-ADD:0304913,8.64,N1C(c2cccc(C)n2)Nc(c3C1=O)cccc3,0.0
21025,CO-ADD:0253095,8.64,N1(C(C)(C)C)\C(=N\c2ccccc2)\SC(CC(=O)Nc3ccccc3[N+](=O)[O-])C1=O,0.0
21026,CO-ADD:0254932,8.64,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C\c(ccc(c3Br)F)c3)c4nonc4N,0.0
21027,CO-ADD:0255149,8.64,C12c3c(cccc3)C(C(C)C1C(=O)Nc4ccccc4C)c(cccc5)c25,0.0
21028,CO-ADD:0255152,8.64,C12c3c(cccc3)C(C(C)C1C(=O)Nc4ccccc4Cl)c5c2cccc5,0.0
21029,CO-ADD:0252536,8.64,N(c1cccc(Cl)c1C)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
21030,CO-ADD:0252512,8.64,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c2cccc(OCC=C)c2,0.0
21031,CO-ADD:0300386,8.64,c1(ccc(cc1N2CCCCC2)N(CC3)CCO3)[N+](=O)[O-],0.0
21032,CO-ADD:0304771,8.64,c1(nonc1N)\C(\N)=N\OCC#C,0.0
21033,CO-ADD:0301082,8.64,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2F)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
21034,CO-ADD:0301091,8.64,N1(c2ccccc2)C(c3cccs3)N(N=C1C(C)=O)c4ccc(cc4)C,0.0
21035,CO-ADD:0301060,8.64,C(CN)(CC(CCN)(CC1(C2)C)CC23C)(C3)C1.Cl.Cl,0.0
21036,CO-ADD:0301116,8.64,N1(c2ccc(c(Cl)c2)N3CCCCC3)C(N(N=C1C(C)=O)c4ccc(cc4)C)c5c6c([nH]c5)cccc6,0.0
21037,CO-ADD:0304768,8.64,n1n(Cc(cc2)ccc2Br)nnc1c(ccc(c34)OCO3)c4,0.0
21038,CO-ADD:0305046,8.64,N1(\N=C\CC2CC=C(C)C2(C)C)C(CC3CC=C(C)C3(C)C)Nc4c(ccc(c4)[N+](=O)[O-])C1=O,0.0
21039,CO-ADD:0304518,8.64,c(C#N)(c1c2ccccc2)c(SCC(=O)Nc3ccccc3)nc(N)c1C#N,0.0
21040,CO-ADD:0304762,8.64,n1(c2ccc(c3c2)OCO3)nnnc1SCC4CC4,0.0
21041,CO-ADD:0304436,8.64,N1C(SCC(OCC)=O)=NC(=C(CC)C1=O)C,0.0
21042,CO-ADD:0300698,8.64,S(=O)(=O)(c1ccc(cc1)CCNC(=O)c2ccccc2Cl)N3CCCC3,0.0
21043,CO-ADD:0304457,8.64,n1(c2ccc(cc2)OC)nc(c(C(N)=O)n1)N,0.0
21044,CO-ADD:0304644,8.64,N1(CC)C(=O)Nc(c2C1=N)nc(cc2C(OC)=O)C,0.0
21045,CO-ADD:0252258,8.64,N1(C(C(C)C)=O)N=C(CC1(O)c(cccn2)c2)C(F)(F)F,0.0
21046,CO-ADD:0253033,8.63,c(CC(NC(=O)Oc1ccccc1)C(=O)Nc(cc2)ccc2Br)(c3c([nH]4)cccc3)c4,0.0
21047,CO-ADD:0254937,8.63,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)\C(\C(C)=N1)=C/NCCN(CC3)CCN3C(=O)c4ccc(cc4)Br,0.0
21048,CO-ADD:0247407,8.63,c1(Br)c2c(cccc2)ccc1OC(CC)C(=O)N\N=C\c(ccc(c34)cccc3)c4,0.0
21049,CO-ADD:0249085,8.63,S(=O)(=O)(c1ccc(cc1)\N=C\c2ccccc2Cl)Nc3ccccn3,0.0
21050,CO-ADD:0254420,8.63,C(=O)(N(CC1)CCN1c(cc2)ccc2[N+](=O)[O-])c3ccccc3Br,0.0
21051,CO-ADD:0247492,8.63,C1(c2ccccc2C)(c3ccccc3C)CC1C(=O)Nc(cccc4[N+](=O)[O-])c4,0.0
21052,CO-ADD:0247520,8.63,N1(\N=C\c(ccc(c2OCC)OCc(cc3)ccc3[N+](=O)[O-])c2)C(=O)C4C(C5C6(CC6)C4C=C5)C1=O,0.0
21053,CO-ADD:0247493,8.63,C1(c2ccccc2C)(c3ccccc3C)CC1C(=O)Nc4ccccc4,0.0
21054,CO-ADD:0247487,8.63,[N+](=O)([O-])c(cccc1P(CCl)(=O)c2cccc(c2)[N+](=O)[O-])c1,0.0
21055,CO-ADD:0247677,8.63,c1(nc(C)cc(C)n1)C(=O)N\N=C\c2cccc(OC)c2O,0.0
21056,CO-ADD:0254516,8.63,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-],0.0
21057,CO-ADD:0249418,8.63,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc4c5c(OC)ccc(c5)[N+](=O)[O-])o4,0.0
21058,CO-ADD:0252821,8.63,S(=O)(=O)(N(CCC)CCC)c(cc1)ccc1C(=O)NCc(ccc(c23)OCO2)c3,0.0
21059,CO-ADD:0249020,8.63,C1(=O)Nc(c2N1)ccc(c2)\N=C\c(cc3OC)cc(c3O)Br,0.0
21060,CO-ADD:0304798,8.63,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N4CCCC4,0.0
21061,CO-ADD:0300575,8.63,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CN(CC3)CCN3Cc4ccccc4,0.0
21062,CO-ADD:0300569,8.63,S(=O)(=O)(N(CC1)CCO1)c2csc(C(=O)Nc(cccc3C(=O)OCC(=O)c4ccc(cc4)Br)c3)c2,0.0
21063,CO-ADD:0300793,8.63,C(=COc1c2cc(cc1Cl)Cl)(C2=O)C3Nc4c(NC(CC(c5ccc(cc5)OC)CC6=O)=C36)cccc4,0.0
21064,CO-ADD:0303477,8.63,n1c(SCCC(O)=O)cc(nc1SCCC(O)=O)c2ccccc2,0.0
21065,CO-ADD:0303645,8.63,N(CN(CC1)CCC1c2ccccc2)(N=C(N3)c4ccc(cc4)OC)C3=S,0.0
21066,CO-ADD:0304353,8.63,c1(NC(C)=O)nonc1NC(C)=O,0.0
21067,CO-ADD:0301688,8.63,C(=C/c1cccs1)(/C(C)=NN2c(cc3)ccc3S(N)(=O)=O)\C2=O,0.0
21068,CO-ADD:0301646,8.63,c1(Nc2ccccc2OC)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
21069,CO-ADD:0253086,8.63,C1(c2ccccc2)(NCc3ccccc3)Oc(cccc4)c4C(C#Cc5ccccc5)=C1C,0.0
21070,CO-ADD:0252421,8.63,N(/NC(CSc(cc1)ccc1Cl)=O)=C(/CC2)\c3c(C2)cc(OC)cc3,0.0
21071,CO-ADD:0252326,8.63,S1(=O)(=O)CC(C)C(C(Br)C1C)=O,0.0
21072,CO-ADD:0254923,8.63,c(n1)(c2)c(ccc2C(=O)Nc3ccccc3)ns1,0.0
21073,CO-ADD:0252861,8.63,n1(nnc(C(=O)N\N=C(\c2c(N3)cccc2)/C3=O)c1c(cccc4[N+](=O)[O-])c4)c5nonc5N,0.0
21074,CO-ADD:0252582,8.62,N1(c2c(cccc2)CCc(cccc3)c13)NC(=S)Nc4ccccc4,0.0
21075,CO-ADD:0252956,8.62,S(CCCCCCCCCC)(=O)(=O)Nc1ccccn1,0.0
21076,CO-ADD:0255220,8.62,c1(C2(CCCCC2)NC(COC)=O)nnnn1c3cccc(Cl)c3,0.0
21077,CO-ADD:0248892,8.62,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c4ccccc4F)C2,0.0
21078,CO-ADD:0252954,8.62,S(CCCCCCCCCC)(=O)(=O)N\N=C\c1ccccc1OC,0.0
21079,CO-ADD:0247723,8.62,C1(c(cnn2c3ccccc3)c2)=C(C(F)(F)F)Oc(cc(OC(C)=O)cc4C)c4C1=O,0.0
21080,CO-ADD:0247509,8.62,c1(ccc(C(=O)Nc(ccc(c23)cccc2)c3)o1)C(c4ccccc4)=O,0.0
21081,CO-ADD:0254740,8.62,C(C(OCCOC)=O)(C(c(cc1)ccc1[N+](=O)[O-])N2)=C(C)N(C2=O)CC,0.0
21082,CO-ADD:0249062,8.62,N1(c(cc2)ccc2C(O)=O)C(=O)CC(N(CC3)CCN3c4ccccc4F)C1=O,0.0
21083,CO-ADD:0252797,8.62,N1c(ccc(c2)C(=O)OCC(=O)c3ccc(cc3)Br)c2C4C(CC=C4)C1c5ccc(cc5)Cl,0.0
21084,CO-ADD:0249301,8.62,N1(c2cccc(c2)[N+](=O)[O-])C(=O)\C(\C=C1c3ccccc3)=C\c(cc4)ccc4Cl,0.0
21085,CO-ADD:0300373,8.62,c1(N=NC(=O)C(C)(C)O)c2c(n(C)c1O)cccc2,0.0
21086,CO-ADD:0304991,8.62,N1(c(ccc(c23)[nH]c(c(cc4)ccc4N5C(=O)C(C(C6)C5=O)CC=C6)n2)c3)C(=O)C(C(CC=C7)C1=O)C7,0.0
21087,CO-ADD:0304487,8.62,c1(C#N)c(c2ccc(cc2)OC)c3c(nc1N)CCCCC3,0.0
21088,CO-ADD:0305162,8.62,C1(C(OCCc2ccccc2)=O)=C(C)NC(=C3C1c4cc(OC)c(cc4Br)OC)CCCC3=O,0.0
21089,CO-ADD:0305184,8.62,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2cccs2,0.0
21090,CO-ADD:0302587,8.62,N1(c(cc2)ccc2C(=O)N(C3CCCCC3)C4CCCCC4)C(=O)C(C5C1=O)C6CC5C=C6,0.0
21091,CO-ADD:0302579,8.62,c1(C(OCC)=O)[nH]c(cc1C)C,0.0
21092,CO-ADD:0304334,8.62,[C@@H]1(Oc(cc2)ccc2\C=N\NC(=O)c3ccccc3O)O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O,0.0
21093,CO-ADD:0247553,8.62,c1(NC(=O)c2ccc(cc2)C)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3,0.0
21094,CO-ADD:0252880,8.62,c1(c(C)c(Cl)c(nc1Cl)Cl)C(=O)Nc(cc2)ccc2Cl,0.0
21095,CO-ADD:0254468,8.62,C1(=O)Oc(c2S1)ccc(c2)OC(=O)Nc3ccccc3,0.0
21096,CO-ADD:0252928,8.62,N1(c2ccc(cc2)F)C(c(cc3)ccc3C(C)C)Nc(c4C1=O)cccc4,0.0
21097,CO-ADD:0252235,8.62,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3c(C)cccc3C,0.0
21098,CO-ADD:0248923,8.62,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)NC(CSCC(=O)Nc(ccc(c45)cccc4)c5)=O)n1,0.0
21099,CO-ADD:0254450,8.62,C1(c2ccccc2)(c3ccccc3)OC(CCc4ccc(C)o4)Nc(cccc5)c15,0.0
21100,CO-ADD:0254442,8.62,C(NCCC(=O)N\N=C\c1ccccc1O)(c2ccccc2)=O,0.0
21101,CO-ADD:0249772,8.62,C(=C/c(ccc(c1Br)OC)c1)(/C(C)=NN2c3ccccc3)\C2=O,0.0
21102,CO-ADD:0249727,8.62,c1(\C=N\NC(COc(cc2)ccc2Br)=O)c(OC)ccc(cccc3)c13,0.0
21103,CO-ADD:0304788,8.62,c1(c2c(s3)CCCC2)c3NC4(CCCC4)NC1=S,0.0
21104,CO-ADD:0304717,8.62,N(c(cccc1)c1C(O2)CC)=C2c3ccc(cc3)OC,0.0
21105,CO-ADD:0305371,8.62,N1(c(cc2)ccc2C(=O)N3CCCCC3)C(=O)C(C4C1=O)C(CC45)C=C5,0.0
21106,CO-ADD:0304516,8.61,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(OCCCC)=O)C2c3ccco3,0.0
21107,CO-ADD:0304469,8.61,n1(c(\C=C\c2ccco2)nn3)c3ccc(cccc4)c14,0.0
21108,CO-ADD:0304397,8.61,C(C#N)(C1c2ccc(cc2)OC(=O)c3ccccc3Cl)=C(N)OC(CC(C)(C)CC4=O)=C14,0.0
21109,CO-ADD:0303169,8.61,N1(CC(=O)OCC(=O)c(ccc(c2[N+](=O)[O-])C)c2)C(=O)c(c3C1=O)cccc3,0.0
21110,CO-ADD:0301460,8.61,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3ccc(C)s3,0.0
21111,CO-ADD:0253024,8.61,c1(sc2c(ccc(C)c2)n1)NC(=O)C3CCCN3C(=O)Oc4ccccc4,0.0
21112,CO-ADD:0247907,8.61,c1(OC)c(OC)cc(cc1OC)\C=N\c(ccc(c23)cccc2)c3,0.0
21113,CO-ADD:0252869,8.61,c1(N2CCC(CC2)C)nc(N\N=C\c3cc(Br)ccc3OCc4ccccc4)nc(Nc5cccc(C)c5C)n1.Cl,0.0
21114,CO-ADD:0254988,8.61,C(F)(F)(F)c(ccc(c1\N=C\c2cccc(Cl)c2O)Oc3c(Cl)ccc(Cl)c3)c1,0.0
21115,CO-ADD:0254535,8.61,N1(C2c3ccc(cc3)OC)C(=NC(C)=C2C(OCC)=O)S\C(=C(/C)\C)\C1=O,0.0
21116,CO-ADD:0249358,8.61,c1(\C=N\c2ccc(cn2)Cl)sccc1C,0.0
21117,CO-ADD:0248020,8.61,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
21118,CO-ADD:0247636,8.61,P(NCC)(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,0.0
21119,CO-ADD:0247620,8.61,S(CC(=O)Nc1ccccc1)C(c2ccccc2)c3ccccc3,0.0
21120,CO-ADD:0254766,8.61,P(c1ccccc1)(c2ccccc2)(=O)CCN(CC3)CCO3,0.0
21121,CO-ADD:0252477,8.61,c1(\C=N\c(cc2)ccc2Oc3ccccc3)c4c([nH]c1C)cccc4,0.0
21122,CO-ADD:0254828,8.61,c1(C2c3c(cccc3Cl)F)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
21123,CO-ADD:0300389,8.61,C(CCCC)(CC(OCC)=O)(C(=O)N(N1c2ccccc2)c3ccccc3)C1=O,0.0
21124,CO-ADD:0300437,8.61,N1(CCSC1c2ccccc2F)C(=S)Nc(cc3)ccc3Cl,0.0
21125,CO-ADD:0304718,8.61,C(NCc(ccc(c12)OCO1)c2)(=S)Nc(cc3)ccc3C,0.0
21126,CO-ADD:0304943,8.61,c1(SCC(=O)Nc2cccc(C)c2C)sc3c(ccc(c3)NC(=O)c4ccccc4C(=O)N5CCCC5)n1,0.0
21127,CO-ADD:0304905,8.61,C(C#N)(=C(C)\C(=C/c(ccc1c(cc2)ccc2S(N)(=O)=O)o1)\C(=N3)O)C3=O,0.0
21128,CO-ADD:0300678,8.61,c1(NC(=O)c2ccccc2OC)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
21129,CO-ADD:0304925,8.61,S(c1ccccc1)(=O)(=O)N2CCCC2C(NCCc3ccccc3F)=O,0.0
21130,CO-ADD:0301083,8.61,C(C#N)(C1C)=C(SCC(N)=O)NC(C)=C1C(c2ccccc2)=O,0.0
21131,CO-ADD:0305324,8.61,n1(c2ccc(cc2)Cl)nc(cc1c3ccccc3)C,0.0
21132,CO-ADD:0304741,8.61,N1(CC(=O)Nc(ccc(c23)OCO2)c3)c4c(c5C1=O)c(ccc4)ccc5,0.0
21133,CO-ADD:0302188,8.61,S(=O)(=O)(c(cccc1S(=O)(=O)c2cccc(c2)[N+](=O)[O-])c1)N(CC3)CCO3,0.0
21134,CO-ADD:0303623,8.61,N1(c2ccc(cc2)C)C(=O)\C(=C\Nc3cccc(C)c3)\C(NC1=O)=O,0.0
21135,CO-ADD:0254492,8.61,S(CCCC)(=O)(=O)\C=C/C=C\S(CCCC)(=O)=O,0.0
21136,CO-ADD:0253021,8.61,c1(C#N)c(c2ccc(cc2)OC)c3c(nc1N)CCCCCCCCCC3,0.0
21137,CO-ADD:0247832,8.61,C(=N/c1ccccc1)(/SC(C2=O)CC(=O)Nc3ccccc3[N+](=O)[O-])\N2CCC,0.0
21138,CO-ADD:0252995,8.61,C(c1ccccc1)(=O)NC(CC(C)C)C(=O)OCC(=O)Nc2ccc(cn2)Cl,0.0
21139,CO-ADD:0252879,8.61,c1(C(NCCCC)=O)c(C)c(Cl)c(nc1Cl)Cl,0.0
21140,CO-ADD:0254472,8.6,C(=O)(OC1CCCCC1)C(Br)C(Br)c2ccc(cc2)OC,0.0
21141,CO-ADD:0247946,8.6,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(c2)c(ccc2C(F)(F)F)Oc(cc3)ccc3Cl,0.0
21142,CO-ADD:0255166,8.6,C(=C/c1ccccc1OCC)(/C(=O)NN2c3ccccc3)\C2=O,0.0
21143,CO-ADD:0254702,8.6,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c4cc(I)cc(I)c4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
21144,CO-ADD:0254650,8.6,N1(CNc(cc2)ccc2Cl)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
21145,CO-ADD:0254644,8.6,N1(c2ccc(cc2)OCC)C(=O)c3c(NC1c4ccccc4Cl)cccc3,0.0
21146,CO-ADD:0248067,8.6,N1(c2ccc(cc2)NC(C)=O)C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
21147,CO-ADD:0248241,8.6,c1(SCC(=O)Nc(cc2)ccc2F)sc3c(ccc(c3)\N=C\c4cc(I)ccc4O)n1,0.0
21148,CO-ADD:0305314,8.6,N1(c2c(OC)ccc(OC)c2)C(=O)\C(=C\c3ccco3)\C(NC1=S)=O,0.0
21149,CO-ADD:0305322,8.6,N1(c2ccc(cc2)OCC)CC(CC1=O)C(NCCC3=CCCCC3)=O,0.0
21150,CO-ADD:0304850,8.6,c12c(n(c(N\N=C\c(cc3)ccc3OC)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
21151,CO-ADD:0301166,8.6,C1(CC2c3ccccc3Cl)(CC(C)(C)NC(=S)N1)Oc4c2cc(c(OC(C)=O)c4)Cl,0.0
21152,CO-ADD:0300734,8.6,c1(C(NCCOC)=O)nonc1N,0.0
21153,CO-ADD:0305092,8.6,c1(N=[N+]=[N-])nn(cn1)CCC#N,0.0
21154,CO-ADD:0301252,8.6,N1C(=O)CC(NNC(=O)c2ccc(cc2)Br)C1=O,0.0
21155,CO-ADD:0303616,8.6,N1(Cc(cc2)ccc2F)C(=O)\C(=C\Nc(cc3)ccc3Cl)\C(NC1=O)=O,0.0
21156,CO-ADD:0303939,8.6,C(C(OCC)=O)(C1c2ccc(cc2)F)=CN(C=C1C(OCC)=O)c3cc(C)cc(C)c3,0.0
21157,CO-ADD:0249612,8.6,C(=O)(N\N=C\c1cccs1)C(NC)=O,0.0
21158,CO-ADD:0249386,8.6,[N+](=O)([O-])c1ccc(cc1)Sc(cc2)ccc2NC(=O)c3ccccc3Cl,0.0
21159,CO-ADD:0249029,8.6,c1(N\N=C(/C)\c2ccc(cc2)O)sc(c3n1)cccc3,0.0
21160,CO-ADD:0255030,8.6,N(/c1cccc(Cl)c1)=C\c(cc2)ccc2OC(C3)CS3,0.0
21161,CO-ADD:0249497,8.6,C(O)(COc(cc1)ccc1C=O)=O,0.0
21162,CO-ADD:0252837,8.6,c1(\C=N\NC(CSc2ccccc2C)=O)c(cccc1Cl)Cl,0.0
21163,CO-ADD:0254597,8.6,n1c(c2ccc(cc2)Cl)csc1Nc(ccc(c34)OCO3)c4.Br,0.0
21164,CO-ADD:0247913,8.6,C(=N\NC(=O)c(ccc(c12)OCO1)c2)(/C3=O)\c(cc(Br)cc4Br)c4N3,0.0
21165,CO-ADD:0254350,8.6,N(C=C(I)C(=N1)O)(C2CC(C(CO)O2)O)C1=O,0.0
21166,CO-ADD:0252564,8.6,C(C#N)(=C(N)C(C#N)=NN1c2ccc(cc2)OC)C1=N,0.0
21167,CO-ADD:0304995,8.6,c1(N(CC2)CCO2)nc(OC)nc(SCC(=O)[O-])n1.[K+],0.0
21168,CO-ADD:0300980,8.6,S(NCCCCC(=O)NC1CC1)(c2ccccc2)(=O)=O,0.0
21169,CO-ADD:0300508,8.6,c1(ccc(o1)C#Cc2ccccc2)C(=O)N(CC3)CCN3c4ccccn4,0.0
21170,CO-ADD:0304780,8.6,c1(C(=O)Nc2ccccc2C(F)(F)F)c(CCC(C3)C(C)(C)C)c3sc1NC(=O)c4ccc(cc4)F,0.0
21171,CO-ADD:0304877,8.6,n1c(c2ccc(cc2)OCC)csc1N,0.0
21172,CO-ADD:0252831,8.6,N1(c2ccc(cc2)Br)C(c3ccc(cc3)OCc4ccccc4)Nc(c5C1=O)cccc5,0.0
21173,CO-ADD:0255038,8.6,S(=O)(=O)(c1ccc(cc1)\N=C\c(cc2)ccc2Br)Nc3ccccn3,0.0
21174,CO-ADD:0249136,8.59,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5)ccn5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
21175,CO-ADD:0254686,8.59,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(=O)N\N=C(\CC3)/CCN3C,0.0
21176,CO-ADD:0249609,8.59,N(CN1CCC(CC1)C)(N=C(N2c3ccccc3)c4ccc(c(OC)c4)OC)C2=S,0.0
21177,CO-ADD:0249690,8.59,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C\c2ccccc2OC)c3ccccc3[N+](=O)[O-],0.0
21178,CO-ADD:0248856,8.59,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(=S)NNC(COc(cc2)ccc2OC)=O,0.0
21179,CO-ADD:0249750,8.59,n1(nnc(C(=O)N\N=C\c2cccc(Br)c2)c1c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
21180,CO-ADD:0300755,8.59,C1(C)(C)C(c2ccc(cc2)Br)OC(C(CC)C1=O)=O,0.0
21181,CO-ADD:0300759,8.59,N1(c2ccc(cc2)OCc3ccccc3)CC(CC1=O)C(=O)Nc(ccc(c4Cl)Cl)c4,0.0
21182,CO-ADD:0305274,8.59,c12c(C(N(C)C(=O)N1C)=O)n(c(N3CCCCC3)n2)CC(=O)c4cccc(OC)c4,0.0
21183,CO-ADD:0304427,8.59,n(c1c([nH]2)cccc1)c2CCl,0.0
21184,CO-ADD:0300419,8.59,C(=N\c(cc1)ccc1C(OCC)=O)(/SC(C(=O)Nc(cc2)ccc2OC)CC3=O)\N3CC=C,0.0
21185,CO-ADD:0305358,8.59,N(CC1)(CCO1)CCC(=O)c2ccc(cc2)Cl.Cl,0.0
21186,CO-ADD:0304878,8.59,n1c(c2ccc(cc2)F)csc1N,0.0
21187,CO-ADD:0302100,8.59,C(=O)(Nc(cc1)ccc1C(O)=O)c2ccccc2NC(=O)c3ccccc3C,0.0
21188,CO-ADD:0301306,8.59,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(ccc(c3C)C)c3)C2c4ccco4,0.0
21189,CO-ADD:0301738,8.59,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C\c(cc3OC)cc(c3OCCOc4ccccc4)Cl)\C1=O)=O,0.0
21190,CO-ADD:0301731,8.59,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C\c(cc3OC)cc(c3OCCOc(cc4)ccc4C(C)CC)Br)\C1=O)=O,0.0
21191,CO-ADD:0249208,8.59,N(c1ccccc1C)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
21192,CO-ADD:0252827,8.59,N1(CNc2ccc(cc2Br)Br)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
21193,CO-ADD:0247627,8.59,[n+]1(C)c(C)csc1Nc2ccccc2.[Br-],0.0
21194,CO-ADD:0254819,8.59,C1(C#N)=C(SCC(=O)OC(C)(C)C)NC(=C(C(C)=O)[C@@]1([H])c2ccccc2[N+](=O)[O-])C,0.0
21195,CO-ADD:0247742,8.59,c1(cc(ccc1[N+](=O)[O-])NC(CCC(=O)Nc(ccc(c2C(F)(F)F)[N+](=O)[O-])c2)=O)C(F)(F)F,0.0
21196,CO-ADD:0300612,8.59,C(C(OCCc1ccccc1)=O)(C2c(cc3)ccc3C(OC)=O)=C(C)NC(CCCC4=O)=C24,0.0
21197,CO-ADD:0304626,8.59,c(cc(cc1C(O)=O)NC(C)=O)(NC(C)=O)c1C,0.0
21198,CO-ADD:0304690,8.59,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c(cccc4C(F)(F)F)c4,0.0
21199,CO-ADD:0304915,8.59,c(c(C)c(s1)C)(C2=O)c1N=C(SCC(=O)NC3CCCCC3)N2c4ccccc4,0.0
21200,CO-ADD:0243149,8.59,c(CC(C1)ON=C1C(NN)=O)(c(Br)c2OC)c(Br)c(c23)OCO3,0.0
21201,CO-ADD:0243053,8.59,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNC(C)c(ccc4N5CCCCC5)cc4)O3)OC,0.0
21202,CO-ADD:0243077,8.58,c(\C=C(\C(=O)OCC)/C#N)(c1OC)c(CCC)c(OC)c(OCO2)c12,0.0
21203,CO-ADD:0243601,8.58,c1c(C)nc2c(c(n(ccc3)c3)c(C(=O)N\N=C\c(c(OC)c4c(OCO4)c5OC)c5CC(CC(c(cc6)ccc6F)=N7)O7)s2)c1COC,0.0
21204,CO-ADD:0243625,8.58,c(C#C)(c1)cc(OCO2)c2c1OC,0.0
21205,CO-ADD:0243129,8.58,c1(C(=O)N\N=C\c(c2OC)c(CC(CC(=N3)c4ccc(F)cc4)O3)c(c(OCO5)c25)OC)cc(on1)CO,0.0
21206,CO-ADD:0240101,8.58,C[C@]1(CC2)[C@@]3([H])[C@@](C=C[C@@H]3OC(C4=CC=CC=C4)=O)([H])[C@]2(C5CC5)O1,0.0
21207,CO-ADD:0243030,8.58,c(cc(OC)c(c12)OCO1)(c2OC)C(C(C)C(=N3)CO)O3,0.0
21208,CO-ADD:0243612,8.58,c1c(C)nc2c(c(N)c(C3=NOC(Cc4c(OC)c(OCO5)c5c(OC)c4)C3)s2)c1COC,0.0
21209,CO-ADD:0242996,8.58,c1(OC)c(OC)c(CC(CC(C2=O)NC(C)C)O2)cc(OCO3)c13,0.0
21210,CO-ADD:0243132,8.58,c(OC1)(c(OC)cc2C\C=N\NC(N)=O)c(O1)c2OC,0.0
21211,CO-ADD:0243052,8.58,c1(c(OC)c2c(c(OC)c1Br)OCO2)C(ON=C3C(=O)N\N=C\c4ccccc4C(F)(F)F)C3C,0.0
21212,CO-ADD:0243002,8.58,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCc4ccccc4OC)O3)OC,0.0
21213,CO-ADD:0243074,8.58,C(C(O)=O)(C1)=NOC1Cc(cc(c(OCO2)c23)OC)c3OC,0.0
21214,CO-ADD:0243859,8.58,C1=C(C)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)Nc(cc4)cc(Cl)c4)=C1O,0.0
21215,CO-ADD:0243587,8.58,CC(C)(C)n(nc1)c2c1C(C3C(=N2)NC(N3c4ccc(Cl)cc4)=O)c5cc(c(c6c5OC)OCO6)OC,0.0
21216,CO-ADD:0243043,8.58,c1([N+](=O)[O-])c(OC)c2c(OCO2)c(OC)c1CC(C3)ON=C3C(OCC)=O,0.0
21217,CO-ADD:0243713,8.58,N1(CCCC1)CCN(C(=O)C(O)=C2C(=O)c3cccc(OC)c3)C2c(cc(OC)c4c5OCO4)c5OC,0.0
21218,CO-ADD:0243809,8.58,c(OCO1)(c1c2)c(OC)cc2NC(OCC)=O,0.0
21219,CO-ADD:0243825,8.58,c(c1OC)(C(c2ccccc2)=NC(C)C3)c3cc4c1OCO4.Cl,0.0
21220,CO-ADD:0243553,8.58,c(OCO1)(c1c2OC)cc(C(C#N)C(=O)c(ccc(OC)c3)c3)c2,0.0
21222,CO-ADD:0243359,8.58,c(OC)(cc1\C=C\C(c(cc2)cc(OCO3)c23)=O)c(OC4)c(O4)c1,0.0
21224,CO-ADD:0243783,8.58,c(c(SCC(=CC1=O)OC(C(c2cc3c(OCO3)c(OC)c2)CC(=O)OC)=C1O)c(F)c4)cc4F,0.0
21225,CO-ADD:0243823,8.58,c([nH]n1)c(c(cc(OC)c2c3OCO2)c3OC)c1c(ccc(OC)c4)c4,0.0
21226,CO-ADD:0243304,8.58,C(C1=C(N)Oc(n[nH]2)c(c2C)C1c(c(OC)c3OC)cc(O4)c3OC4)#N,0.0
21227,CO-ADD:0243480,8.58,COc(ccc(c(c(c1cc(OC)c(OCO2)c2c1OC)n3)c(o3)N)c4)c4,0.0
21228,CO-ADD:0236929,8.58,O=C(C1=CC(OC)=CC=C1CC/2)C2=CC3=CC=CO3,0.0
21229,CO-ADD:0243488,8.58,COc(c(cc(c1)\C=C/c2c(c(c(OCO3)c3c2)OC)OC)O)c1,0.0
21230,CO-ADD:0243742,8.57,C(C(=C(O)C1=O)OC(=C1)CO)(c2cc(OC)c(OCO3)c3c2)CC(OCC)=O,0.0
21232,CO-ADD:0243507,8.57,c1c(Cl)cc(n(c(c2C3c(c(OC)c(OCO4)c45)cc5OC)NC(=O)C3)cn2)cc1,0.0
21233,CO-ADD:0243838,8.57,c(cc1CC(=O)c(c2)cc(OC)c3c2OCO3)c(OC)cc1,0.0
21234,CO-ADD:0243748,8.57,c(OC)(c(OC)c1OC)cc(C(=O)\C=C\c(cc2OC)cc3c2OCO3)c1,0.0
21235,CO-ADD:0243871,8.57,c(C(C1C(c(cccc2)c2)=O)O1)(cc(OC)c3c4OCO3)c4OC,0.0
21236,CO-ADD:0243484,8.57,c(c1\C=C\c(cc2)cc(OC)c2O)c(OC)c(OCO3)c3c1OC,0.0
21237,CO-ADD:0243524,8.57,C12=C(C(CC(=O)N1c3cccc(Cl)c3)c(cc(OC)c(c45)OCO4)c5OC)SC(=O)N2C,0.0
21238,CO-ADD:0243295,8.57,C1(O2)=C(OC(CO)=CC1=O)C(C(C#N)=C2N)c(cc(c3c4OCO3)OC)c4,0.0
21239,CO-ADD:0243335,8.57,c1c(Cl)cc(n(c(c2C3c(cc(OCO4)c45)cc5OC)NC(=O)C3)cn2)cc1,0.0
21240,CO-ADD:0243757,8.57,N(CC1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3sccc3)C2c4cc(OCO5)c5c(OC)c4,0.0
21241,CO-ADD:0243413,8.57,c(OC1)(c(OC)c(OC)c2C#N)c(O1)c2,0.0
21242,CO-ADD:0244012,8.57,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(=O)CCCCCO[N+]([O-])=O,0.0
21243,CO-ADD:0236942,8.57,O=C(C1=CC(OC)=CC=C1CC/2)C2=CC3=CC=CN=C3,0.0
21244,CO-ADD:0236943,8.57,O=C(C1=CC(OC)=CC=C1CC/2)C2=CC3=C(OC)C=CN=C3,0.0
21245,CO-ADD:0236945,8.57,O=C(C1=CC=C(OC)C=C1CC/2)C2=CC3=CC=NC=C3,0.0
21246,CO-ADD:0243201,8.57,c(Br)(c1OC)c(CC2CC(C(=O)N\N=C/c(c3)cncc3)=NO2)c(OC)c(OCO4)c14,0.0
21247,CO-ADD:0243209,8.57,c(OC1)(c(OC)cc2\C=C\C(N3CCCCC3)=O)c(O1)c2OC,0.0
21248,CO-ADD:0243217,8.57,C1(C#N)=C(N)OC(CCCC2=O)=C2C1c(c3OC)c(CC(C)Cl)c(c(OCO4)c34)OC,0.0
21249,CO-ADD:0243210,8.57,c(OC1)(c(OC)cc2\C=C\C(N3C(C)CCCC3)=O)c(O1)c2OC,0.0
21250,CO-ADD:0243677,8.57,C1(SC(=NC(N2C(C)C)=C1C(N2)=O)C)c3cc(OCO4)c4c(OC)c3OC,0.0
21251,CO-ADD:0243057,8.57,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCc4ccccc4n(ccn5)c5)O3)OC,0.0
21253,CO-ADD:0243816,8.57,c(no1)c(c(cc(OC)c2c3OCO2)c3)c1c(ccc(OC)c4)c4,0.0
21254,CO-ADD:0243196,8.57,C(C1ON=C(c(c2)ccc(Cl)c2)C1)c(c3\C=N/NC(N)=O)c(OC)c(OC)c4c3OCO4,0.0
21255,CO-ADD:0243228,8.57,CN1C\C(=C\c(c(OC)c(O2)c3OC2)cc3OC)\C(=O)\C(=C\c(c(OC)c(O4)c5OC4)cc5OC)\C1,0.0
21256,CO-ADD:0243460,8.57,c(C(C1)c2cc(OC)c3c(OCO3)c2)(c(NC1=O)c4C(O)=O)n(c4)c5cccc(F)c5,0.0
21257,CO-ADD:0244001,8.57,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(OCc2ccccc2)=O)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(=O)C(N)CC(C)C,0.0
21258,CO-ADD:0236949,8.57,O=C(C1=CC=C(OC)C=C1CC/2)C2=CC3=CC(Br)=CN=C3,0.0
21259,CO-ADD:0243637,8.57,c(C)(cc1COC)nc2c1c(N)c(c(onc3c(cc4OC)c(OC)c5c4OCO5)n3)s2,0.0
21260,CO-ADD:0243752,8.56,N(CCO1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3sccc3)C2c4c(OC)c(OC)c(OCO5)c5c4,0.0
21261,CO-ADD:0243850,8.56,C1=C(C)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)Nc(cc4)ccc4F)=C1O,0.0
21263,CO-ADD:0243450,8.56,c(C(C1)c2c(OC)c(OC)c3c(OCO3)c2)(c(NC1=O)c4C(O)=O)n(c5cccc(OC)c5)c4,0.0
21264,CO-ADD:0243272,8.56,c1(cc2c3OCO2)c(c3OC)C(c4c[nH]c(cc(OC)c5)c4c5)N(C)CC1,0.0
21265,CO-ADD:0243423,8.56,c(OC1)(c(OC)c([N+](=O)[O-])c2)c(O1)c2OC,0.0
21266,CO-ADD:0243232,8.56,c(c(CC1ON=C(c(cc2)ccc2)C1)c3)c(OC)c(O4)c3OC4,0.0
21267,CO-ADD:0243176,8.56,C(C1ON=C(C(=O)N\N=C\c(c2)ccc(OC)c2)C1)c(c3OC)cc(OC)c4c3OCO4,0.0
21268,CO-ADD:0243264,8.56,c1(cc2c3OCO2)c(c3OC)C(O)N(C)CC1,0.0
21269,CO-ADD:0243087,8.56,c(\C=N/NC(=O)N)(c1OC)c(CC2CC(C(OCC)=O)=NO2)c(OC)c(OCO3)c13,0.0
21270,CO-ADD:0243888,8.56,C(C(=O)OCC)(=CNC1=O)C(OC2=O)=C1C(c(cc(OCO3)c34)cc4OC)C2,0.0
21271,CO-ADD:0243654,8.56,c(OC)(cc1)ccc1C\C(=N\OC(c(c2)c(OC)c(OC)c3c2OCO3)=O)\N,0.0
21272,CO-ADD:0243032,8.56,c(cc(OC)c(c12)OCO1)(c2OC)C(C3C)ON=C3CN4CCCCC4,0.0
21273,CO-ADD:0243040,8.56,c(CC(C1)ON=C1C(O)=O)(c(Br)c2OC)c(Br)c(c23)OCO3,0.0
21274,CO-ADD:0243117,8.56,c(OCO1)(c2OC)c1c(c(\C=N\NC(=O)c(cc3)ccc3[N+](=O)[O-])c2CC(CC(=N4)c5ccc(cc5)F)O4)OC,0.0
21275,CO-ADD:0240099,8.56,C[C@]1(CC2)[C@@]3([H])[C@@](C=C[C@@H]3OC(C4=CC=CC=C4)=O)([H])[C@]2(C)O1,0.0
21276,CO-ADD:0240100,8.56,C[C@]1(CC2)[C@@]3([H])[C@@](C=C[C@@H]3OC(C4=CC=CC=C4)=O)([H])[C@]2(C5=CC(C=CC=C6)=C6C=C5)O1,0.0
21277,CO-ADD:0319872,8.56,c1(noc(c2c(OC)cc(c3c2)cccc3)n1)c4nonc4N,0.0
21278,CO-ADD:0320982,8.56,n1(CC(=O)N(c2ccc(cc2)OC)C3(CCCCC3)C(=O)Nc4ccccc4C)nnnc1N,0.0
21279,CO-ADD:0320767,8.56,n1(CC(=O)N(CC)c2ccccc2)nnc(c(ccc(c34)OCO3)c4)n1,0.0
21280,CO-ADD:0320975,8.56,n1[nH]c(c2n1)cc3c(cccc3)c2,0.0
21281,CO-ADD:0312513,8.56,[C@@]1(O[C@@]2(C=C1)[C@@H]3CN(C2)S(=O)(=O)c4ccccc4)(C3)C,0.0
21282,CO-ADD:0306927,8.56,C12=C(c3c(cccc3)CC14CCCCC4)N=C(N(C)C2=O)NCCO,0.0
21283,CO-ADD:0305459,8.56,S(C)(=O)(=O)N(CC1)CCN1c2scc(c3ccccc3)n2,0.0
21284,CO-ADD:0307376,8.56,c1(ccc(Br)o1)C(=O)N(CC2)CCC2C(=O)OCC(=O)c3ccc(cc3)Br,0.0
21285,CO-ADD:0307092,8.56,c1(cc(F)c(cc1N2CCCCC2)N3CCCC3)[N+](=O)[O-],0.0
21286,CO-ADD:0304221,8.56,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(C)=Nc(c3C1=O)cccc3,0.0
21287,CO-ADD:0304219,8.56,N1(c2ccccc2)C3(CCCCC3)NN(C)C1=S,0.0
21288,CO-ADD:0303877,8.56,N1C(c2ccc(c(OC)c2)OCC)SCC1C(O)=O,0.0
21289,CO-ADD:0303923,8.56,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
21290,CO-ADD:0303746,8.56,N1(c2ccccc2)C(=O)\C(=C\c(cc3OC)cc(c3O)OC)\C(NC1=S)=O,0.0
21291,CO-ADD:0305423,8.56,C(NCCN(CC1)CCO1)(=O)C(N)=O,0.0
21292,CO-ADD:0307564,8.56,C(/C#N)(=C\c1ccc(C)o1)\C(=O)Nc(cc2)ccc2NC(=O)\C(\C#N)=C/c3ccc(C)o3,0.0
21293,CO-ADD:0311165,8.56,c1(NC(COc2cccc(C)c2C)=O)sc(c3c1C(OC)=O)CCCC3,0.0
21294,CO-ADD:0305488,8.56,S(NCCCl)(=O)(=O)c1ccc(cc1)Br,0.0
21295,CO-ADD:0311551,8.56,C(c1ccccc1)(CC2)(CCN2CCC(=O)Nc(cc3)ccc3F)C(OCC)=O,0.0
21296,CO-ADD:0307105,8.56,n(c(c1ccccc1)c2c(c3Sc(cc4C(C)(C)C)cc(c4O)C(C)(C)C)cccc2)n3,0.0
21297,CO-ADD:0323456,8.56,n1(CC=C)c(SCc(cc(OCO2)c2c3)c3Cl)nnc1c4ccco4,0.0
21298,CO-ADD:0320187,8.56,C1(=Cc(c2OC1c3ccc(c(OCC)c3)OCC)cc(cc2Cl)Cl)[N+](=O)[O-],0.0
21299,CO-ADD:0324198,8.56,C(C(OC)=O)(=CN(C=C1C(OC)=O)C23CC(CC4C2)CC(C4)C3)C1c(cccc5[N+](=O)[O-])c5,0.0
21300,CO-ADD:0323054,8.55,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCc(cc3)ccc3F,0.0
21301,CO-ADD:0324230,8.55,n1(CC(=O)N(c2ccc(cc2)OC)C3(CCCCC3)C(=O)Nc(cc4)ccc4C)nnnc1N,0.0
21302,CO-ADD:0311253,8.55,c1(ccc(Br)o1)C(=O)Nc2ccccc2SC,0.0
21303,CO-ADD:0306976,8.55,C(=O)(C(O)(c1cccc(C)c1)c2cccc(C)c2)NN(C(C)c3cccc(C)c3)C(c4ccccc4)=O,0.0
21304,CO-ADD:0311939,8.55,c1(ccccc1SCc(cc2)ccc2Cl)C(O)=O,0.0
21305,CO-ADD:0306914,8.55,c1(noc(c(ccc(c2[N+](=O)[O-])Cl)c2)n1)c3nonc3N,0.0
21306,CO-ADD:0311970,8.55,c1(cc(oc1C)CC(C)C)C(=O)Nc2ccccc2OCC,0.0
21307,CO-ADD:0312279,8.55,c1(SCC(CSc2sc(c3n2)cccc3)=O)sc(c4n1)cccc4,0.0
21308,CO-ADD:0303603,8.55,c(C(=O)C1CC1)(c2N)sc3c2cc(c4n3)CCCC4,0.0
21309,CO-ADD:0301321,8.55,C12(CC(CC3C1)CC(C3)C2)C(=O)Nc(cc4)ccc4NC(=O)CC(c5c6cccc5)c7c(O6)cccc7,0.0
21310,CO-ADD:0301302,8.55,C1(C)(C(OCC)=O)\C(=N/Nc2ccccc2)\C(C(=O)N1c3ccccc3)=O,0.0
21311,CO-ADD:0301318,8.55,c1(SCC(=O)Nc2ccccc2)sc(c3n1)ccc(N(C)C)c3,0.0
21312,CO-ADD:0304304,8.55,C(C(C)=O)(C1c2ccc(c3c2)OCO3)=C(O)C(N1CCN(CC4)CCO4)=O,0.0
21313,CO-ADD:0303201,8.55,c1(NC(=O)c2cccc(F)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
21314,CO-ADD:0303739,8.55,N1(c2ccc(cc2)Cl)C(=O)\C(=C\c3ccc[nH]3)\C(NC1=S)=O,0.0
21315,CO-ADD:0301968,8.55,c(nnc1c2nonc2N=[N+]=[N-])(o1)c3nonc3N=[N+]=[N-],0.0
21316,CO-ADD:0302559,8.55,N1(CCCCCC(O)=O)C(=O)c2c(cccc2)C1=O,0.0
21317,CO-ADD:0302551,8.55,c1(cc(Cl)ccc1NC(C)C23CC(CC4C2)CC(C4)C3)[N+](=O)[O-],0.0
21318,CO-ADD:0303026,8.55,c1(c2c(oc1C)CCCC2)C(=O)Nc(cccc3C(O)=O)c3,0.0
21319,CO-ADD:0301789,8.55,N#CC1(CCCCC1)Nc(cc2)ccc2Br,0.0
21320,CO-ADD:0301947,8.55,C(/c1ccccc1)(=C\Sc2sc3c(ccc(c3)NC(=O)c4ccccc4F)n2)\[N+](=O)[O-],0.0
21321,CO-ADD:0301912,8.55,C(C#N)(C(c1ccccc1)c(ccc(c23)cccn2)c3O4)=C4N,0.0
21322,CO-ADD:0311401,8.55,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2ccc(cc2)F)N(CC3)CCN3C)c1.CC(=O)O,0.0
21323,CO-ADD:0311623,8.55,N1(Cc2ccccc2)\C(=N\c(cc3)ccc3OC(Cl)(F)F)\SC(C(=O)Nc4cccc(OC)c4)CC1=O,0.0
21324,CO-ADD:0307463,8.55,C1(C(OC)=O)=C(C)NC(=C2C1c(ccc3[N+](=O)[O-])o3)CCCC2=O,0.0
21325,CO-ADD:0312612,8.55,c(ccc(c12)N3C(C4(C5C3=O)OC(C=C4)C5C(=O)O)N(C(=O)C)C1)c2,0.0
21326,CO-ADD:0306023,8.55,c1(N2CCC(CC2)Cc3ccccc3)scc(c4ccc(cc4)F)n1,0.0
21327,CO-ADD:0312457,8.55,c1(N(CC2)CCO2)nc(NCc3ccccc3)nc(Nc(cc4)ccc4OC(F)(Cl)F)n1,0.0
21328,CO-ADD:0311529,8.55,n1c(N\N=C\c(cc2)ccc2F)sc(C)c1c3ccc(cc3)OC,0.0
21329,CO-ADD:0310859,8.55,C1(c2cc(OC)ccc2OC)=C(O)C(c3c(cccc3)O1)=O,0.0
21330,CO-ADD:0320030,8.54,c12c(n(c(SCc(nc(N)nc3N4CCCCC4)n3)n1)CC)C(N(C)C(=O)N2C)=O,0.0
21331,CO-ADD:0320081,8.54,c1(c(ccc2C(=O)N(CC3)CCO3)C(=O)c(c4C1=O)cccc4)c2[N+](=O)[O-],0.0
21332,CO-ADD:0320642,8.54,c1(C(=O)OC(=N2)c(cc3)ccc3C(F)(F)F)c2c4c(ccc(Br)c4)o1,0.0
21333,CO-ADD:0319675,8.54,C1(C2c3ccc(cc3)OC(C)C)=C(CC(c4ccc(cc4)C)CC1=O)Nc(c5N2C(=O)\C=C\c6ccccc6)cccc5,0.0
21334,CO-ADD:0320051,8.54,n1(N)c(SCC(=O)Nc(cc2)ccc2OC)nnc1c3ccc(cc3)Br,0.0
21335,CO-ADD:0321420,8.54,C1(C2c(cc3)ccc3C(OC)=O)=C(CC(c4ccc(cc4)F)CC1=O)Nc(c5N2C(CCCCC)=O)cccc5,0.0
21336,CO-ADD:0320804,8.54,C1(O)C(O)C(O)COC1Nc(cc2)ccc2OC(F)(F)Cl,0.0
21337,CO-ADD:0321414,8.54,c1(c2ccccc2Cl)noc(C)c1C(NCCC(CC(CC3C4)CC45)(C5)C3)=O,0.0
21338,CO-ADD:0323951,8.54,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3ccc(c(OC)c3)OC,0.0
21339,CO-ADD:0324807,8.54,S(=O)(=O)(c(cc1)ccc1C(=O)NCC(C2)(CC3CC2CC4C3)C4)N(CC5)CCO5,0.0
21340,CO-ADD:0324760,8.54,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2c4ccc(cc4)OCC(O)=O)=O,0.0
21341,CO-ADD:0305700,8.54,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3C)C2c4cccs4,0.0
21342,CO-ADD:0305444,8.54,C1(NC(=S)NC2c(cccc3[N+](=O)[O-])c3)=C2CCc(cccc4)c14,0.0
21343,CO-ADD:0311273,8.54,N1(c2ccccc2)C(=O)C(CCCCCC)C(NC1=S)=O,0.0
21344,CO-ADD:0305768,8.54,c1(NC(=O)c2ccoc2C)sc(c3c1C(N)=O)CCCC3,0.0
21345,CO-ADD:0310977,8.54,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)OC)Nc2sc3c(CCC(C(C)(C)C)C3)c2C#N,0.0
21346,CO-ADD:0307531,8.54,C(=S)(Nc(ccc(c1Cl)F)c1)N(CC2)CCN2Cc(ccc(c34)OCO3)c4,0.0
21347,CO-ADD:0311458,8.54,c1([nH]nc(C2(CCCCC2)CO)c1)C(F)(F)F,0.0
21348,CO-ADD:0304282,8.54,c1(c(CCCC2)c2c3c(ccc(cccc4)c34)n1)c5cc(Br)ccc5O.Cl,0.0
21349,CO-ADD:0301621,8.54,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)CC1c(cc3)ccc3[N+](=O)[O-],0.0
21350,CO-ADD:0302444,8.54,c1(c(N)n[nH]2)c2nc(C)cc1C(OCCO)=O,0.0
21351,CO-ADD:0301372,8.53,n1c(cc2C#N)c(cc2C#N)nc(ccc(cccc3)c34)c14,0.0
21352,CO-ADD:0301814,8.53,c1(NC(=O)Cc2cccs2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
21353,CO-ADD:0302388,8.53,C(C#N)(C(c1ccc(cc1)OC(F)F)CC(N2)=O)=C2SCC(OCC)=O,0.0
21354,CO-ADD:0301450,8.53,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c(ccs2)c2,0.0
21355,CO-ADD:0302430,8.53,[N+](=O)([O-])c(cc1)ccc1C(OC2)OCC2(C)C(O)=O,0.0
21356,CO-ADD:0302475,8.53,c1([N+](=O)[O-])c(N(CC)CC)n(cn1)C,0.0
21357,CO-ADD:0302422,8.53,N1(c2ccccn2)C(c3ccccc3)Nc(c4C1=O)cccc4,0.0
21358,CO-ADD:0302398,8.53,C(=O)(c(cc1)ccc1N(C)C)NC(CC2(C)C)CC(N2)(C)C,0.0
21359,CO-ADD:0312274,8.53,n1(c2ccccc2)c(SCC(=O)NCc(cc3)ccc3C(C)C)nnc1c4cccc(F)c4,0.0
21360,CO-ADD:0310953,8.53,C(C(OC)=O)(C(F)(F)F)(Nc1scc(C2CC2)n1)NC(=O)c3ccccc3OC,0.0
21361,CO-ADD:0311439,8.53,C(=N\c1ccccc1)(/SC(C(=O)Nc(cc2)ccc2OCC)CC3=O)\N3CC,0.0
21362,CO-ADD:0305631,8.53,C(C#N)(C(c1ccc(cc1)Cl)C2C(OC)=O)=C(SCC(=O)Nc3cccc(Cl)c3)NC2=O,0.0
21363,CO-ADD:0312617,8.53,c(cc1c(c2)N3C(C4C(C3=O)C(C(=O)O)c(c5)c(oc5)C4)c6n1ccc6)c2,0.0
21364,CO-ADD:0312034,8.53,c12c(CCNC1c3cccc(I)c3)cc(c(OCC)c2)OCC,0.0
21365,CO-ADD:0311006,8.53,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c(ccc(c56)OCO5)c6,0.0
21366,CO-ADD:0312595,8.53,[C@@H]12[C@@H]([C@@](C3)([C@]([C@@]4(O[C@H]5[C@@H]6[C@H]4O6)CO3)([C@]57C(OC)=O)C(OC)=O)O[C@H]17)O2,0.0
21367,CO-ADD:0311585,8.53,c(C#N)(c(cccc1)c1n2CCOc3ccccc3)c2,0.0
21368,CO-ADD:0311624,8.53,N1(Cc2ccccc2)\C(=N\c(cc3)ccc3OC(F)(Cl)F)\SC(C(=O)Nc(cc4)ccc4C(O)=O)CC1=O,0.0
21369,CO-ADD:0306137,8.53,c1(C(c2ccccc2)=O)nc(c3n1CC(c4ccccc4)=O)cccc3,0.0
21370,CO-ADD:0324822,8.53,C1(CCCC1)(c2ccc(c(OC)c2)OC)C(=O)NCc3ccccc3Cl,0.0
21371,CO-ADD:0319421,8.53,n1(C)c2c(c(CCNC(C3(CCCCC3)OC4=O)=C4)c1C)cccc2,0.0
21372,CO-ADD:0320703,8.53,c1(NC(=O)c(cccc2[N+](=O)[O-])c2C)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
21373,CO-ADD:0319920,8.53,C1(=O)Nc2c(Oc(cc(cc3Oc4ccc(cc4Br)Br)[N+](=O)[O-])c13)cccc2,0.0
21374,CO-ADD:0320176,8.53,c12c(CCNC1c3cc(C)ccc3C)cc(c(OCC)c2)OCC,0.0
21375,CO-ADD:0320521,8.53,N1(CCCO)C(C)(O)C(OC1=O)(CC2(C)C)CC(N2)(C)C,0.0
21376,CO-ADD:0305728,8.53,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3ccccc3F,0.0
21377,CO-ADD:0307653,8.53,N(CCCN1Cc2ccccc2)(Cc3ccccc3)C1C(O)=O,0.0
21378,CO-ADD:0305804,8.53,c1(scc(c2ccccc2)c1C(OCC)=O)NC(=O)c3ccoc3C,0.0
21379,CO-ADD:0310765,8.53,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5ccc(c(O)c5)OC)cccc4,0.0
21380,CO-ADD:0306790,8.52,C(C(OCCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccc(Oc4ccccc4)c3,0.0
21381,CO-ADD:0312330,8.52,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)OCCCCCCCC)c5ccc(cc5)Br,0.0
21382,CO-ADD:0305831,8.52,c([N+](=O)[O-])(nn(c1C(=O)Nc2sc(c3c2C(OC)=O)CCCC3)Cc4ccccc4)c1,0.0
21383,CO-ADD:0312482,8.52,[C@@]12(O[C@]3([C@@H]([C@H]1C(=O)OCC)C(=O)N(C3)c4ccccc4)CC2)C,0.0
21384,CO-ADD:0304365,8.52,c1(nnc(N)o1)c2nonc2N,0.0
21385,CO-ADD:0302664,8.52,C(/SC(N1CC)=S)(\C1=O)=C(/Sc(c23)ccc(OC)c2)\N3CCCC,0.0
21386,CO-ADD:0304343,8.52,C(Cc1ccccc1)(=O)NC(C)(C)Cc(cc2)ccc2O,0.0
21387,CO-ADD:0304035,8.52,C1(C(C)=O)=C(O)C(OC1c(cc2)ccc2[N+](=O)[O-])=O,0.0
21388,CO-ADD:0303179,8.52,c12c(cc(Br)c(cccc3)c13)C(CC(=O)N2)c(cccc4C(F)(F)F)c4,0.0
21389,CO-ADD:0303666,8.52,N(Cc1ccccc1)(C2)C(=O)CC2C(=O)Nc(cc3)ccc3Cl,0.0
21390,CO-ADD:0303652,8.52,c1(sc(c2n1)cccc2)\C(\C#N)=C\c(ccc3c(c(C)ccc4[N+](=O)[O-])c4)o3,0.0
21391,CO-ADD:0307464,8.52,C(C(OCC)=O)(C1c(cc2)ccc2C(OC)=O)=C(C)N(C(C)=C1C(OCC)=O)C,0.0
21392,CO-ADD:0312461,8.52,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccc(C)c1)N2CCCCC2c(cccn3)c3,0.0
21393,CO-ADD:0312335,8.52,c(C(N)=O)(nc(n1Cc2ccccc2)C)c1N,0.0
21394,CO-ADD:0307203,8.52,c1(c(CC(O)=O)c(n2c3ccc(cc3)Br)C)c2CC(C)(C)CC1=O,0.0
21395,CO-ADD:0306025,8.52,n1(C2CCCCC2)c(SCc(cc3)ccc3OC(F)(F)C(F)F)nnc1c(cc4)ccc4C(C)(C)C,0.0
21396,CO-ADD:0311883,8.52,C(=O)(NN1CCCCC1)C(O)(c(ccs2)c2)c(ccs3)c3,0.0
21397,CO-ADD:0311868,8.52,c12c([nH]nc1C(C)(C)C)OC(N)=C(C#N)C2c3c[nH]nc3c4ccc(cc4)F,0.0
21398,CO-ADD:0319230,8.52,C(CC(Cl)(Cl)Cl)(=C(C)NC1=S)S1,0.0
21399,CO-ADD:0320577,8.52,N1(C(CCl)=O)c2c(C(CN(C)CC3)C13)cc(C)cc2,0.0
21400,CO-ADD:0320393,8.52,N1(Cc(cc2)ccc2F)C(=O)NC(\C(=C/c(cc3)ccc3N(CC)CC)\C1=O)=O,0.0
21401,CO-ADD:0320209,8.52,c12c(CCNC1c(cc3)ccc3c4ccccc4)cc(c(OCC)c2)OCC,0.0
21402,CO-ADD:0319909,8.52,N1(C(C)(C)C\C(\CC1(C)C)=N/O)OC(=O)c2ccccn2,0.0
21403,CO-ADD:0320571,8.52,N1(C(CCl)=O)c2c(cccc2)Sc(ccc(Cl)c3)c13,0.0
21404,CO-ADD:0307057,8.52,C(=O)(c1ccc(c(F)c1)F)N(CC2)CCN2c(cc3)c(F)cc3C(=O)c4ccc(c(Br)c4)OC,0.0
21405,CO-ADD:0305706,8.52,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3Cl)C2c4ccco4,0.0
21406,CO-ADD:0305698,8.52,C(=C(C)NC(=C1C#N)SCC(OC)=O)(C(=O)Nc2ccccc2C)C1c3ccco3,0.0
21407,CO-ADD:0311805,8.52,c1(C(OCC)=O)c(cc(oc(c2C(OCC)=O)N)c2c3c4ccc(cc4)F)c3oc1N,0.0
21408,CO-ADD:0311443,8.52,C(=N\c(ccc(c1C(F)(F)F)Cl)c1)(/SC(C(=O)Nc2cccc(C)c2)CC3=O)\N3C,0.0
21409,CO-ADD:0302001,8.52,C12(N(c3ccc(cc3)OC)N=C(C(C)=O)S1)Nc(sc(c45)CC(CC4)C)c5C(=O)N2c6ccccc6,0.0
21410,CO-ADD:0301587,8.52,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5c(cccc5Cl)Cl)cccc4,0.0
21411,CO-ADD:0301697,8.51,[nH]1c(SCCOc(cc2)ccc2OCCC)nc3c1ncnc3N,0.0
21412,CO-ADD:0301625,8.51,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cccc4C(F)(F)F)c4)cc(c(C)c3)C,0.0
21413,CO-ADD:0302143,8.51,N(C(=O)NC=C1NC(COc2ccccc2C)=O)C1=O,0.0
21414,CO-ADD:0303503,8.51,N1(C)C(C)(C)C(C)=NOC1c2ccccc2O,0.0
21415,CO-ADD:0303221,8.51,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)CC1c3ccccc3OCc4ccccc4,0.0
21416,CO-ADD:0303065,8.51,c12c(c3c(CCC3)nc1N)C(NC2=O)=O,0.0
21417,CO-ADD:0303130,8.51,c12n(cc(c3ccccc3)n1)nc(CC)s2,0.0
21418,CO-ADD:0303240,8.51,n1(c2ccc(cc2)O)cnnn1,0.0
21419,CO-ADD:0301451,8.51,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3cccc(Cl)c3,0.0
21420,CO-ADD:0302736,8.51,n1(C)cnnc1SCC(=O)c(ccc(c23)OCO2)c3,0.0
21421,CO-ADD:0303844,8.51,c1(ccccc1NC(=O)c2ccco2)C(=O)N\N=C/c3cccc(cccc4)c34,0.0
21422,CO-ADD:0304029,8.51,c1(SCC(=O)Nc(ccc(c2s3)nc3SCc(cc4)ccc4Br)c2)nnnn1C,0.0
21423,CO-ADD:0306356,8.51,c1(NC(=O)C(OC)(F)C(F)(F)F)sc(c(C)c1C(OCC)=O)c2ccccc2,0.0
21424,CO-ADD:0306316,8.51,[C@@]12(C)C(CC(CC1)OC(C)=O)=CCC(C2CC3)C([C@]34C)CCC4NC(C)=O,0.0
21425,CO-ADD:0305575,8.51,C(C(C)=O)(N(C)NC(N1c2ccc(cc2)C)c(ccc(c34)OCO3)c4)=N1,0.0
21426,CO-ADD:0306017,8.51,N(CCN1Cc(cc2)ccc2Cl)(Cc(cc3)ccc3Cl)C1c(cccc4C(F)(F)F)c4,0.0
21427,CO-ADD:0306001,8.51,c1(NC(=O)C(CC(N2c3cccc(Cl)c3C)=O)C2)sc(c4c1C#N)CCCC4,0.0
21428,CO-ADD:0312276,8.51,C(CSCC(CSCC(=O)Nc1ccccc1)=O)(=O)Nc2ccccc2,0.0
21429,CO-ADD:0311116,8.51,n1(c2ccccc2)c(SCC(=O)NCc3ccco3)nnc1c4cccc(F)c4,0.0
21430,CO-ADD:0307116,8.51,c1(NC(=O)c(cc2)ccc2n3cnnn3)sc(c4c1C(OCC)=O)CCCC4,0.0
21431,CO-ADD:0311829,8.51,c(c1C(C)C)(C2c(cc(OCC)c(c3[N+](=O)[O-])OC(=O)c4cccs4)c3)c([nH]n1)OC(N)=C2C#N,0.0
21432,CO-ADD:0305873,8.51,c1(NC(=O)C(C)Oc(ccc(c2C)Cl)c2)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
21433,CO-ADD:0320742,8.51,C(C(=O)OCC1CCCO1)(C2c3ccc(cc3)OC(C)=O)=C(C)NC(CC(c4cccs4)CC5=O)=C25,0.0
21434,CO-ADD:0320984,8.51,C1(C2c(cc3)ccc3C(OC)=O)=C(CC(c4cccs4)CC1=O)Nc(c5N2C(CC)=O)cccc5,0.0
21435,CO-ADD:0320937,8.51,N1(C(C)(C)CC(CC1(C)C)OC(c2ccccc2)=O)OC(=O)c3ccco3,0.0
21436,CO-ADD:0323844,8.51,S(=O)(=O)(c1ccc(cc1)OCC)NC(CC)C23CC4CC(CC(C4)C2)C3,0.0
21437,CO-ADD:0307373,8.51,S(=O)(=O)(c1cccc(c1)C(=O)OCC(=O)c2cccs2)N(CC3)CCO3,0.0
21438,CO-ADD:0307601,8.51,c1(SCC(=O)NCc2ccco2)n(c3ccccc3)c(c(c4ccccc4)n1)c5ccccc5,0.0
21439,CO-ADD:0306202,8.51,c12c(cccc1C(F)(F)F)c(c(C)[nH]2)CCN.Cl,0.0
21440,CO-ADD:0307390,8.51,N1(CCC[C@@]1([H])C(O)=O)Cc2ccccc2,0.0
21441,CO-ADD:0305458,8.51,c1(ccc(c(OC)c1OC)OC)C2N(CCCN2Cc(cc3)ccc3OC)Cc(cc4)ccc4OC,0.0
21442,CO-ADD:0307253,8.51,c(c1Cl)([N+](=O)[O-])c(Cl)nc(Cl)c1C(OC)=O,0.0
21443,CO-ADD:0301368,8.51,c1(cc(N)c(cc1C#N)N)C#N,0.0
21444,CO-ADD:0303113,8.51,c1(cc(ccc1N2CCCCCC2)C(=O)Nc(cc3)ccc3Cl)[N+](=O)[O-],0.0
21445,CO-ADD:0302068,8.51,c1(ccc(cc1NC(=O)\C=C\c2ccco2)Cl)C(O)=O,0.0
21446,CO-ADD:0303899,8.5,C(C(OCCOC)=O)(C1c(cc2)ccc2C(F)(F)F)=C(C)NC(CCCC3=O)=C13,0.0
21447,CO-ADD:0301524,8.5,C(=O)(Nc(cc1)ccn1)c(ccc(c23)OCO2)c3,0.0
21448,CO-ADD:0302049,8.5,C(N)(N\N=C\c1cccc(OC)c1OCC(O)=O)=S,0.0
21449,CO-ADD:0302512,8.5,N1(C)C(=O)\C(\SC1=S)=C/c(cc2)cc(c2Oc(nc3N(CC4)CCO4)nc(n3)N(CC5)CCO5)OC,0.0
21450,CO-ADD:0301513,8.5,c1(n2)c(n[se]2)cc(Cl)cc1Cl,0.0
21451,CO-ADD:0303035,8.5,n1(c(c2ccccc2)nnc1c3ccccc3)c4ccc(cc4[N+](=O)[O-])[N+](=O)[O-],0.0
21452,CO-ADD:0302191,8.5,S1(=O)(=O)c(cccc2)c2C(N3CCC(CC3)C(OCC)=O)=N1,0.0
21453,CO-ADD:0303887,8.5,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c5ccc(cc5)CC,0.0
21454,CO-ADD:0301948,8.5,C(/c1ccccc1)(=C\Sc2ccccn2)\[N+](=O)[O-],0.0
21455,CO-ADD:0303706,8.5,C(=O)(Nc(cc1)ccc1NC(=O)C(CC2)CCN2C(OCC)=O)N3CCC(CC3)C(OCC)=O,0.0
21456,CO-ADD:0301897,8.5,n1(c(cccc2C)c2n3)c3S\C(=C\c(ccc4c5ccccc5F)o4)\C1=O,0.0
21457,CO-ADD:0307365,8.5,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3)ccc3OC(=O)c4cc(F)c(cc4Cl)F,0.0
21458,CO-ADD:0305530,8.5,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c3ccc(nn3)N(CC4)CCO4,0.0
21459,CO-ADD:0305710,8.5,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3ccc(cc3C)C)C2c4ccccc4,0.0
21460,CO-ADD:0307649,8.5,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccccc2SC)N3CCCC3,0.0
21461,CO-ADD:0307613,8.5,c1(ccc(cc1F)C(C)=O)N2CCCC2,0.0
21462,CO-ADD:0311017,8.5,c1(C(=O)Nc(cc2)ccc2OC)c(CC3)c(sc1NC(=O)c4cccc(F)c4)CN3C(OCC)=O,0.0
21463,CO-ADD:0311533,8.5,n1(\N=C\c(cc2)ccc2O)c(CC)nnc1S,0.0
21464,CO-ADD:0312028,8.5,N1(C(=O)CSc2ccccn2)c3c(cccc3)Sc(ccc(Cl)c4)c14,0.0
21465,CO-ADD:0312367,8.5,c(c1c(cc2)ccn2)(C3c4ccc(c(OCC)c4)OCC)c([nH]n1)OC(N)=C3C#N,0.0
21466,CO-ADD:0310808,8.5,c1(C2c3ccccc3OCCC)c([nH]nc1c4ccc(cc4)Br)OC(N)=C2C#N,0.0
21467,CO-ADD:0319894,8.5,c1(C2c(cc3)ccn3)c([nH]nc1c4ccc(cc4OCC)OCC)OC(N)=C2C#N,0.0
21468,CO-ADD:0321418,8.5,c1(c(C)onc1c2ccccc2Cl)C(=O)NC(CC)C34CC5CC(CC(C5)C3)C4,0.0
21469,CO-ADD:0320818,8.5,c1(scc(c2ccccc2)n1)N(CC3)CCC3(C(N)=O)N4CCCCC4,0.0
21470,CO-ADD:0310780,8.5,C(C(OC)=O)(C1c2ccc(cc2)Cl)=CN(C=C1C(OC)=O)C(C)c3ccccc3,0.0
21471,CO-ADD:0311019,8.5,C(/C(NCCN(CC1)CCO1)=O)(\NC(c2ccccc2)=O)=C\c3ccc(C)o3,0.0
21472,CO-ADD:0307001,8.5,N1(CC(O)c2ccccc2)C(C)(O)C(OC1=O)(C)C,0.0
21473,CO-ADD:0305738,8.5,C1(=COc(c2C1=O)ccc(C)c2)C3Nc4c(NC(CC(c5ccccc5Cl)CC6=O)=C36)cccc4,0.0
21474,CO-ADD:0306959,8.5,N1(C(=O)\C(\SC1=N)=C/c(ccc2c3ccccc3[N+](=O)[O-])o2)c4nonc4N,0.0
21475,CO-ADD:0312095,8.5,N1(CC(OC)=O)Sc2c(ccc(c2)[N+](=O)[O-])C1=O,0.0
21476,CO-ADD:0311097,8.5,C1(C2c(cc3)ccc3[N+](=O)[O-])=C(CC(C)(C)CC1=O)Nc4n2ncn4,0.0
21477,CO-ADD:0306076,8.5,n1c(N2CCCCC2)nc(nc1N(CC3)CCO3)OCC,0.0
21478,CO-ADD:0310894,8.5,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])C(F)(F)F,0.0
21479,CO-ADD:0301384,8.5,C(C(F)(F)F)(C(F)(F)F)(C(C(C)=O)C(C)=O)NC(=O)c1ccc(cc1)C,0.0
21480,CO-ADD:0301535,8.5,c12c(n(c(Nc3ccccc3)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
21481,CO-ADD:0301411,8.5,C12=C(CCCC1=O)c3c(ccc(cccc4)c34)NC2c5ccco5,0.0
21482,CO-ADD:0307314,8.5,C1(=C(CC(c2ccc(cc2)F)CC1=O)Nc(c3N4C(CCC(O)=O)=O)cccc3)C4c5cccc(OC)c5,0.0
21483,CO-ADD:0306747,8.5,C1(C)=CC(=O)Oc(ccc(c2)OC(=O)c3ccc(c(OC)c3)OC)c12,0.0
21484,CO-ADD:0305617,8.5,C(NCCNC=O)=O,0.0
21485,CO-ADD:0312121,8.49,c12c(C(N(C)C(=O)N1C)=O)n(c(S)n2)CC3CC3,0.0
21486,CO-ADD:0320150,8.49,c1(c2c(CCCC2)nc(ccc(cccc3)c34)c14)c(cc5OCC)cc(c5O)Br,0.0
21487,CO-ADD:0319927,8.49,S(=O)(=O)(Nc(cc1)ccc1C(O)=O)c2ccnc3c2cccc3OC,0.0
21488,CO-ADD:0320135,8.49,c12c(CCNC1c3ccc(cc3)Cl)cc(c(OCC)c2)OCC,0.0
21489,CO-ADD:0320843,8.49,N1(c2ccccc2F)C(=O)\C(=C/Nc3cc(OC)cc(OC)c3)\C(NC1=O)=O,0.0
21490,CO-ADD:0320891,8.49,n12c(NC(c3ccc(cc3)Br)CC1C(F)(F)F)cc(C(=O)Nc4cc(on4)C)n2,0.0
21491,CO-ADD:0311083,8.49,C12(CC3CC(CC(C3)C1)C2)c(cc4)ccc4C(=O)NC(Cc(c5c([nH]6)cccc5)c6)C(O)=O,0.0
21492,CO-ADD:0311075,8.49,n1(c2ccc(c(Cl)c2)F)nnnc1SCc(cc3)ccc3OC,0.0
21493,CO-ADD:0307073,8.49,c(cc1F)(c(Cl)cc1N2CCCCC2)C(c3ccccc3)=O,0.0
21494,CO-ADD:0312063,8.49,n1cn[nH]c1SC(C)C(=O)Nc2c(C)cc(cc2C)C,0.0
21495,CO-ADD:0307375,8.49,S(CC)(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)c2ccc(cc2)Br,0.0
21496,CO-ADD:0310886,8.49,S(=O)(=O)(c1ccc(cc1)Br)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCO4,0.0
21497,CO-ADD:0311459,8.49,C(O)(O1)(CC(=N1)C2(CCCCC2)CO)C(F)(F)F,0.0
21498,CO-ADD:0311465,8.49,C(=O)(c(cc1)ccc1C(F)(F)F)N(CC2)CCN2Cc3ccccc3,0.0
21499,CO-ADD:0311732,8.49,C(=O)(NC(CC(CC12)CC3C1)(C2)C3)c4ccccc4OCC(=O)NCc5ccco5,0.0
21500,CO-ADD:0302873,8.49,C(C#N)(=C1N)\C(=C(\C#N)/C#N)\C(O1)c2ccccc2,0.0
21501,CO-ADD:0304113,8.49,C1(C#N)=C(C)C=C(N(CCO)C1=O)O,0.0
21502,CO-ADD:0304004,8.49,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c(cc5OC)cc(c5OC)OC)cccc4,0.0
21503,CO-ADD:0303851,8.49,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc3ccccc3C(C)C,0.0
21504,CO-ADD:0302073,8.49,c1(cc(C)ccc1NC(COc2ccccc2Cl)=O)C(O)=O,0.0
21505,CO-ADD:0302466,8.49,n12c(S\C(=C/c(cc(Cl)cc3Cl)c3OC)\C1=O)nc(c4ccccc4)c2c5ccccc5,0.0
21506,CO-ADD:0303164,8.49,C(=C\c(cc1OCC)cc(c1OCCOc2ccccc2C)Br)(/C(=O)NC(N3)=O)\C3=O,0.0
21507,CO-ADD:0302040,8.49,C(=O)(c(cc1)ccc1C(c2ccccc2)=O)Nc3cc(Cl)cc(Cl)c3,0.0
21508,CO-ADD:0301436,8.49,c1(NC(=O)c2cccc(Cl)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OCC,0.0
21509,CO-ADD:0303285,8.49,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc(ccc(c23)OCCO2)c3,0.0
21510,CO-ADD:0310817,8.48,N(Cc1ccccc1)(C(c2ccccc2)C(=O)Nc3c(C)cccc3C)C(=O)c(cc4)ccc4n5cnnn5,0.0
21511,CO-ADD:0306907,8.48,c1(C2c3ccc(cc3)OCc4ccccc4F)c([nH]nc1c5ccc(cc5)OC)OC(N)=C2C#N,0.0
21512,CO-ADD:0306899,8.48,C12(C(=O)Nc(ccc(C)c3Br)c13)C4=C(CC(c5ccco5)CC4=O)OC(N)=C2C#N,0.0
21513,CO-ADD:0306200,8.48,N(CCc1ccccc1)(CC2)CC(C2=O)C.Cl,0.0
21514,CO-ADD:0311658,8.48,C1(=O)Oc(c2N1CCCC#N)cccc2,0.0
21515,CO-ADD:0305446,8.48,N(=C/c1cc(Br)ccc1O)/c2c(ccc(Cl)c2)OCc3cccc(OC)c3,0.0
21516,CO-ADD:0307378,8.48,n1nc([nH]n1)CC(OCC)=O,0.0
21517,CO-ADD:0310801,8.48,c1(C2c(cc3OC)cc(c3OC(=O)c4cccs4)Cl)c([nH]nc1c5ccc(cc5)OC)OC(N)=C2C#N,0.0
21518,CO-ADD:0306154,8.48,c1(ccn[nH]1)C(NCCc(ccc(c2OC)OC)c2)=O,0.0
21519,CO-ADD:0306850,8.48,N(Cc1ccccc1C)(c(cccc2)c23)c(cccc4)c4C3=O,0.0
21520,CO-ADD:0320416,8.48,N1(CCCCCC(NCC#N)=O)C(=O)c(c2C1=O)cccc2,0.0
21521,CO-ADD:0320232,8.48,c1(nn(c2n1)c(C)cc(C)n2)S(=O)(=O)N(C)Cc3ccccc3,0.0
21522,CO-ADD:0319235,8.48,s1c(N)nnc1SCc(cc2)ccc2C(C)(C)C,0.0
21523,CO-ADD:0319315,8.48,c1(NCc(ccc(c23)OCO2)c3)nnnn1CCC,0.0
21524,CO-ADD:0321204,8.48,N1(CCCCCC(=O)NC(c2ccc(cc2)OC)CC(OCC)=O)C(=O)c3c(cccc3)C1=O,0.0
21525,CO-ADD:0321236,8.48,C1(Nc(cc(Sc2ccccc2)cc3[N+](=O)[O-])c3)OC(C)C(C(O)C1O)O,0.0
21526,CO-ADD:0307244,8.48,c1(C(N)=O)c(Cl)c(Cl)c(nc1Cl)Cl,0.0
21527,CO-ADD:0311063,8.48,s1c(N)nnc1SCc2ccc(cc2Cl)F,0.0
21528,CO-ADD:0306308,8.48,C1(C#N)(CC(=O)c2ccc(cc2)F)C(N)=C(CC1(C#N)C#N)C=O,0.0
21529,CO-ADD:0305897,8.48,N1(CCc(cccc2)c12)C(=O)COc3ccccc3C,0.0
21530,CO-ADD:0306132,8.48,C1(C#N)(C#N)C(c2ccc(cc2)C)C(C3)C(C(C#N)=C1N)=CCS3,0.0
21531,CO-ADD:0306124,8.48,c1(c(Cl)c(C)cc(F)c1F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(CC)=O,0.0
21532,CO-ADD:0307198,8.48,c12c(CC(C)(C)CC1=O)n(c(C)c2CC(Cl)(Cl)Cl)O,0.0
21533,CO-ADD:0311137,8.48,c1(SCc2ccccc2)nc(c3n1CC(=O)Nc4cccc(cccc5)c45)cccc3,0.0
21534,CO-ADD:0301598,8.48,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(c(OC)c3)OC)C2c4ccc(c5c4)OCO5,0.0
21535,CO-ADD:0302605,8.48,C12=C(c3c(cccc3)CC14CCCCC4)N=C(SCC=C)NC2=O,0.0
21536,CO-ADD:0301848,8.48,c1(NC(COc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
21537,CO-ADD:0304122,8.48,c1(Nc(cc2)ccc2C(NN)=O)sc(c(c3ccc(cc3)OC)n1)C,0.0
21538,CO-ADD:0303809,8.48,[N+](=O)([O-])c1cccc(Cl)c1NCCNC(=O)c2ccccc2Cl,0.0
21539,CO-ADD:0304319,8.48,N1(C2)C(S\C(=C/c(ccc(c3OC)OC)c3)\C1=O)=NCN2c4ccc(c5c4)OCO5,0.0
21540,CO-ADD:0304130,8.48,c1(ccccc1Cl)COc2cccc(c2)C=O,0.0
21541,CO-ADD:0301840,8.48,c1(nnc(Cc(ccc(c2OC)OC)c2)s1)NC(=O)c3cccc(F)c3,0.0
21542,CO-ADD:0301584,8.48,C1(C(OCCCc2ccccc2)=O)=C(C)NC(=O)CC1c3ccccc3F,0.0
21543,CO-ADD:0301624,8.48,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccccc5OC(C)C)cccc4,0.0
21544,CO-ADD:0303708,8.48,c1(sc(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3[N+](=O)[O-])O)c3,0.0
21545,CO-ADD:0304415,8.48,N1(C(C)C(NCCOc(cc2)ccc2CCC)=O)C(=O)c3c(cccc3)C1=O,0.0
21546,CO-ADD:0304313,8.48,S(=O)(=O)(c1ccc(cc1)C)N2C(C)(C)C=C(c(cc(C)c(C)c3)c23)C,0.0
21547,CO-ADD:0303904,8.48,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5ccc(C)s5)cccc4,0.0
21548,CO-ADD:0302373,8.48,C1(=Cc2c(OC1=O)cccc2)c3csc(\C(\C#N)=C\c4ccccc4C(O)=O)n3,0.0
21549,CO-ADD:0311840,8.48,n12c(cccc1)nc(c3ccccc3)c2N,0.0
21550,CO-ADD:0311466,8.47,N1(NC(=C(\C=N\CCCN(CC2)CCO2)C1=O)CSc(cc3)ccc3Cl)c4sc(c5n4)cccc5,0.0
21551,CO-ADD:0311801,8.47,c1(ccc(cc1Cl)Cl)C(=O)N(CC2)CCN2c3ccc(cc3F)C(CC)=O,0.0
21552,CO-ADD:0306181,8.47,c1(C(C)=O)c(ccnc1C(F)(F)F)OC(c2ccccc2)=O,0.0
21553,CO-ADD:0307486,8.47,C(C(OC)=O)(=C(C)N(C)C(=C1C(OC)=O)C)C1c2cc(Br)ccc2F,0.0
21554,CO-ADD:0307030,8.47,N1C(=S)NC(=C(CCCO)C1=O)C,0.0
21555,CO-ADD:0307011,8.47,C1(C(O)=O)=COC(C(Br)=C1)=O,0.0
21556,CO-ADD:0311386,8.47,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)C(CC1=O)SC(C)C,0.0
21557,CO-ADD:0311766,8.47,N1(c2ccc(cc2)Cl)C(=O)C(N(Cc3ccccc3)C1=S)CC(=O)Nc(cc4)ccc4Cl,0.0
21558,CO-ADD:0321316,8.47,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OCC)OCCOc4ccccc4C)c3)\C1=N,0.0
21559,CO-ADD:0321252,8.47,c1(Cl)nc(Cl)cc(Cl)c1C(=O)N\N=C(\C)/C,0.0
21560,CO-ADD:0321333,8.47,C(C(OC)=O)(C(F)(F)F)(C(F)(F)F)SC1=C(O)C=C(OC1=O)C,0.0
21561,CO-ADD:0311721,8.47,n1(c2cc(C)ccc2OCC(=O)Nc(cc3)ccc3N(CC4)CCO4)nc5c(cccc5)n1,0.0
21562,CO-ADD:0312351,8.47,N(C(=O)\C(\S1)=C/c(cc2)ccc2Cl)=C1N(CC3)CCN3CCC#N,0.0
21563,CO-ADD:0306804,8.47,C(C(OC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccc(OCC)c3,0.0
21564,CO-ADD:0307414,8.47,C12(C#N)C(c(cccn3)c3)OC4(C(CCCC4)C1(C#N)C#N)OC2=N,0.0
21565,CO-ADD:0311438,8.47,C1(Nc(cc2)ccc2OC(F)(F)F)=NCC(C)(C)S1,0.0
21566,CO-ADD:0310971,8.47,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccco1)Nc2sc(c(c3ccccc3)c2C(OCC)=O)CC,0.0
21567,CO-ADD:0311146,8.47,C12(C(CC)C#N)CC3CC(CC(C3)C1)C2,0.0
21568,CO-ADD:0311604,8.47,C1(=NCC(C)(C)S1)N(c2ccc(cc2)OC(F)(F)F)C(=O)Nc(cc3)ccc3Cl,0.0
21569,CO-ADD:0311641,8.47,C(=O)(NN(c1ccccc1)C(C)=O)C(O)(c2ccc(c(C)c2)C)c3ccc(c(C)c3)C,0.0
21570,CO-ADD:0303802,8.47,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4ccc(cc4)C)[N+](=O)[O-],0.0
21571,CO-ADD:0302583,8.47,c1(nncn1\N=C\c(cc2)ccc2F)N=[N+]=[N-],0.0
21572,CO-ADD:0301769,8.47,N1(CO)c(ccc(c2)[N+](=O)[O-])c2C(=O)C1=O,0.0
21573,CO-ADD:0301522,8.47,c([N+](=O)[O-])(cc(Br)c(c12)nsn1)c2N(CC3)CCO3,0.0
21574,CO-ADD:0301446,8.46,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3ccc(c(OC)c3)OC,0.0
21575,CO-ADD:0301973,8.46,c1(nn(cn1)CC(=O)Nc2sc(c(C)c2C(OCC)=O)C)[N+](=O)[O-],0.0
21576,CO-ADD:0302553,8.46,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-],0.0
21577,CO-ADD:0301691,8.46,N1CC(C)CC(=O)C1(C)C.Cl,0.0
21578,CO-ADD:0302530,8.46,c(C(O)=O)(c1c2cccc1)cc(n2)c3ccc(cc3)Oc(cc4)ccc4c(c5)nc(c6c5C(O)=O)cccc6,0.0
21579,CO-ADD:0311473,8.46,c12c(CCNC1c3cc(Cl)ccc3O)cc(c(OC)c2)OCC,0.0
21581,CO-ADD:0311671,8.46,C(C#N)(C1=O)=C(c2ccccc2)N=C(SCC(=O)Nc(cc3)ccc3OC)N1,0.0
21582,CO-ADD:0306773,8.46,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cc(OC)c(cc3OC)OC,0.0
21583,CO-ADD:0305498,8.46,c1(C(OCC)=O)c(C)oc(C)c1CN.Cl,0.0
21584,CO-ADD:0310855,8.46,c12c(c(ccc1NC3CCCCC3)NN=Nc4ccccc4)C(c(cccc5)c5C2=O)=O,0.0
21585,CO-ADD:0312588,8.46,C1=C[C@@]2([C@]([C@]3(CN(C2)C(OC(C)(C)C)=O)O[C@H]4C=C3)([C@]45C(OC)=O)C(OC)=O)O[C@H]15,0.0
21586,CO-ADD:0311450,8.46,N1(CC)\C(=N\CC)\SC(C(=O)Nc2cccc(OCC)c2)CC1=O,0.0
21587,CO-ADD:0323419,8.46,C(=N/OCc(cc1)ccc1F)(/C(C)=Nc(c23)cccc2)\C(C)=N3,0.0
21588,CO-ADD:0321197,8.46,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(c4ccc(cc4)C)cc(C(F)F)n1,0.0
21589,CO-ADD:0321213,8.46,C1(=S)N(C)c(c2N1CCSc3n(CC)c4c(cccc4)n3)cccc2,0.0
21590,CO-ADD:0305664,8.46,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cc(Cl)cc(Cl)c2)(C(=O)Nc3ccccc3C)C1c4ccccc4,0.0
21591,CO-ADD:0312170,8.46,S(=O)(=O)(c(cc1)ccc1S(=O)(=O)N(CC)CC)N(CC2)CCO2,0.0
21592,CO-ADD:0307356,8.46,n12c(S\C(=C/c(cc3)ccc3OCC#C)\C1=O)nc(cc(C)c(C)c4)c24,0.0
21593,CO-ADD:0305918,8.46,c1(c2c(sc1NC(=O)C(C)Oc(cc3)ccc3F)CCCC2)C(=O)OC(C)C,0.0
21594,CO-ADD:0312631,8.46,C(C1C2C(=O)N(c3ccc(F)cc3)C1)c(c4C2C(=O)O)scc4,0.0
21595,CO-ADD:0312493,8.46,C(OC(C)=O)(C1)CCC2=C1C(N(C2)c3ccccc3)=O,0.0
21596,CO-ADD:0303485,8.46,C1(CCCCC1)(N(c2ccc(cc2)C)C(=O)CNC(C)=O)C(=O)Nc(cc3)ccc3OC,0.0
21597,CO-ADD:0302891,8.46,C12(OCC(CO1)(C)C)c3c(NC2=O)cccc3,0.0
21598,CO-ADD:0301334,8.46,c1(C(O)=O)cc(c(ccc2c3ccccc3[N+](=O)[O-])o2)nc(ccc(cccc4)c45)c15,0.0
21599,CO-ADD:0304109,8.46,C1(S\C(\C(C)=O)=N/Nc2ccccc2)=Nc(cccc3)c3C(=O)N1c4ccccc4,0.0
21600,CO-ADD:0307172,8.46,N1(CCCCCC(=O)N2c3c([C@]([H])(CN(C)CC4)[C@@]24[H])cc(C)cc3)C(=O)c5c(cccc5)C1=O.Cl,0.0
21601,CO-ADD:0312168,8.46,N1(NC(=C(\C(\C)=N/CCO)C1=O)c2ccccc2)c3sc(c4n3)cccc4,0.0
21602,CO-ADD:0311574,8.45,C1(C(OC)=O)(C(F)(F)F)N=C(C=CC(=C2)Br)N2C(c3ccc(cc3)C)=N1,0.0
21603,CO-ADD:0311042,8.45,c1(C(CC(N2)=O)c3ccc(c(F)c3)F)c2cc(C)c(C)c1,0.0
21604,CO-ADD:0311114,8.45,C12(Nc(cccc3)c3C(=O)N1Cc4ccccc4)C(=O)Nc(ccc(OC)c5)c25,0.0
21605,CO-ADD:0310863,8.45,C1(C(OC)=O)=C(C)NC(NC1c2cc(Cl)cc(COCO3)c23)=O,0.0
21606,CO-ADD:0312358,8.45,c12c(CCNC1c3ccc(c(OCC)c3)OCC)cc(c(OCC)c2)OCC,0.0
21607,CO-ADD:0306915,8.45,c1(noc(c2cccc(Cl)c2)n1)c3nonc3N,0.0
21608,CO-ADD:0311123,8.45,n1(CC)c(S)nnc1c(cccc2[N+](=O)[O-])c2,0.0
21609,CO-ADD:0320143,8.45,C12=C(CCCC1=O)Nc(c3C2c4cccc(cccc5)c45)ccc6c3cccn6,0.0
21610,CO-ADD:0320343,8.45,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)NCc3ccco3,0.0
21611,CO-ADD:0323863,8.45,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c(c(cccc3)c34)nnc4N5CCCCC5)c2,0.0
21612,CO-ADD:0307342,8.45,C1(C2c3ccc(cc3)C)=C(CC(c4cccc(Br)c4)CC1=O)Nc(c5N2C(CCC(O)=O)=O)cccc5,0.0
21613,CO-ADD:0306002,8.45,N(CCc(cc1)ccc1Cl)(C2)C(=O)CC2C(=O)OCC(=O)c3ccc(cc3)Cl,0.0
21614,CO-ADD:0305932,8.45,c1(NC(COc2cccc(Br)c2)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
21615,CO-ADD:0305924,8.45,c1(c2c(sc1NC(=O)c3ccccc3[N+](=O)[O-])CCCC2)C(=O)OC(C)C,0.0
21616,CO-ADD:0311737,8.45,c12c(n(c(Sc3nc(c4n3CC(=O)N5CCCCC5)cccc4)n1)C)C(N(C)C(=O)N2C)=O,0.0
21617,CO-ADD:0312341,8.45,S(=O)(=O)(Cc1ccccc1)c2cc(Oc3ccccc3)cc(Oc4ccccc4)c2C#N,0.0
21618,CO-ADD:0306087,8.45,N1(c(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4C(OC)=O)c2)C(=O)c(c5C1=O)cccc5[N+](=O)[O-],0.0
21619,CO-ADD:0312509,8.45,C(C1[C@@H]2C(=O)N(c3ccccc3)C1)c(c4[C@H]2C(=O)O)sc(C)c4,0.0
21620,CO-ADD:0305518,8.45,S(=O)(=O)(Cc1ccccc1)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc4ccccc4,0.0
21621,CO-ADD:0305550,8.45,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3C(C)=O)[N+](=O)[O-],0.0
21622,CO-ADD:0303813,8.45,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)c4ccco4,0.0
21623,CO-ADD:0303490,8.45,n1(c2ccccc2C)nnnc1C3(CCCC3)Nc4cccc(OC)c4,0.0
21624,CO-ADD:0303543,8.45,C1(C#N)(C(c2ccco2)O3)C(=N)OC3(C(c4ccccc4)C1(C#N)C#N)C,0.0
21625,CO-ADD:0301357,8.45,C(=C/c(ccc1c(cccc2C(O)=O)c2)o1)(/C(=O)NN3c4ccccc4)\C3=O,0.0
21626,CO-ADD:0301335,8.45,n1(c2ccccc2)c(SCC(N)=O)nnc1c3cccc(F)c3,0.0
21627,CO-ADD:0301422,8.45,N1(c(cc2)c(OC1=O)cc2S(=O)(=O)N(CC3)CCO3)C(=O)Oc4ccccc4,0.0
21628,CO-ADD:0302053,8.45,C1(=NC(=O)NC2=O)C2=Cc3c(cccc3Cl)N1c4ccc(c(C)c4)C,0.0
21629,CO-ADD:0302585,8.45,c1(Sc2ccc(cc2Cl)N)sc(c3n1)cccc3,0.0
21630,CO-ADD:0303729,8.45,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(=O)Nc(cc4)c(C)cc4N(CC)CC.Cl,0.0
21631,CO-ADD:0301959,8.45,n1(cncc1c(cc2)ccc2[N+](=O)[O-])C(=O)c3ccccc3Cl,0.0
21632,CO-ADD:0303310,8.45,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SC)C2c3ccccc3OCC,0.0
21633,CO-ADD:0302742,8.45,N1(CCCC1C(=O)Nc2ccccc2)C(=O)OCC(C)C,0.0
21634,CO-ADD:0302900,8.45,C1(OCC2(CO1)CC(CC23)C=C3)(c4c(N5CN(CC6)CCN6c7ccccc7)cccc4)C5=O,0.0
21635,CO-ADD:0303523,8.44,C(C(OC)=O)(=CN(Cc(cc1)ccc1OC)C=C2C(OC)=O)C2c(ccc(c34)OCO3)c4,0.0
21636,CO-ADD:0306256,8.44,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccc(OCC)c4,0.0
21637,CO-ADD:0311286,8.44,S(=O)(=O)(c1ccc(cc1)C)N(CC(O)CN(CC(C)C)CC(C)C)c2cccc(cccc3)c23,0.0
21638,CO-ADD:0305859,8.44,N1(c2ccccc2CC)C(=O)C3C(C(CC34)C=C4)C1=O,0.0
21639,CO-ADD:0320159,8.44,C1(C2c3ccc(cc3)OC)=C(CCCC1=O)Nc(ccc4c5ccc(n4)C)c25,0.0
21640,CO-ADD:0320407,8.44,n1(c(c2ccccc2)c(nn1)C(OCC)=O)c3nonc3OC,0.0
21641,CO-ADD:0323919,8.44,C(=O)(CN(CC1)CCN1Cc2ccccc2)Nc(ccc(c3Br)C)c3,0.0
21642,CO-ADD:0323720,8.44,S1(=O)(=O)c2c(c3N1CC(=O)Nc(cc4)ccc4OC(F)(F)F)c(ccc2)ccc3,0.0
21643,CO-ADD:0323167,8.44,c1(N2CCCCC2C)nc(OC)nc(Cl)n1,0.0
21644,CO-ADD:0323223,8.44,S(=O)(=O)(N(CC1)CCN1C(=O)C2CCCO2)c3cccc(nsn4)c34,0.0
21645,CO-ADD:0323255,8.44,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(c(ccc(c45)OCO4)c5)cc(n1)C(F)(F)F,0.0
21646,CO-ADD:0312025,8.44,[N+](=O)([O-])c(cccc1C2NCCc(cc(c(OC)c3)OCC)c23)c1,0.0
21647,CO-ADD:0312017,8.44,N1(C(=O)CCN2c(ccc(c3)Br)c3OC2=O)c(ccc(c4)Br)c4OC1=O,0.0
21648,CO-ADD:0310940,8.44,C(Nc(cc1)ccc1OC(F)(F)F)(C(OC)=O)(NC(CC)=O)C(F)(F)F,0.0
21649,CO-ADD:0311402,8.44,N1(\N=C\c(cc2)ccc2[N+](=O)[O-])C(c(cc3)ccc3[N+](=O)[O-])Nc(c4C1=O)cccc4,0.0
21650,CO-ADD:0311580,8.44,C1(C(F)(F)F)(C(F)(F)F)N=C(C=CC=C2C)N2C(c3ccccc3Cl)=N1,0.0
21651,CO-ADD:0306716,8.44,C1(C(c2ccccc2)Nc3ccccc3)C(O)C(CC14)C(C4(C)C)C,0.0
21652,CO-ADD:0306929,8.44,N1(c2ccc(cc2)F)\C(=N\c(cc3)ccc3F)\S\C(=C\c(ccc(c4OC)OCc(nc(N)nc5N(CC6)CCO6)n5)c4)\C1=O,0.0
21653,CO-ADD:0305549,8.44,[N+](=O)([O-])c1ccc(cc1NCc(cc2)ccc2Cl)N(CC3)CCN3C(C)=O,0.0
21654,CO-ADD:0303196,8.44,[n+]1([O-])onc2c1ccc(c2)OC,0.0
21655,CO-ADD:0303934,8.44,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c(cccc3C(F)(F)F)c3,0.0
21656,CO-ADD:0302754,8.44,n1(c(cccc2C)c2n3)c3S\C(=C/c(cc4OC)cc(c4O)OC)\C1=O,0.0
21657,CO-ADD:0302407,8.44,N1(c2ccccc2OC)C(=O)c3c(N=C1S)cccc3,0.0
21658,CO-ADD:0302429,8.44,S(NCCOc1cccc(C)c1)(=O)(=O)c(cc2)ccc2C3CCCCC3,0.0
21659,CO-ADD:0302110,8.44,n1c2c([nH]c1c3ccc(cc3)NC(=O)\C=C/C(O)=O)cc4c(cccc4)c2,0.0
21660,CO-ADD:0302786,8.44,c12c(n(c(Cl)n1)CCOC=C)C(N(C)C(=O)N2C)=O,0.0
21661,CO-ADD:0303818,8.44,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)c4ccc(cc4)OC,0.0
21662,CO-ADD:0302017,8.44,N1(CN2CCCC2)C(=O)\C(\SC1=O)=C/c(ccc(c3OC)OC)c3,0.0
21663,CO-ADD:0303681,8.44,S(C)(=O)(=O)N1CCc(cc(cc2)NC(=O)c3ccc(cc3Cl)Cl)c12,0.0
21664,CO-ADD:0304395,8.44,c1(C2c3ccccc3)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
21665,CO-ADD:0310832,8.44,c1(c2c(oc1C)CCCC2)C(=O)Nc(ccc(c34)OCO3)c4,0.0
21666,CO-ADD:0312375,8.44,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccccc4OC,0.0
21667,CO-ADD:0311035,8.44,C(C(OC)=O)(C1c(cc2)ccc2C(OC)=O)=CN(C=C1C(OC)=O)C3CC3,0.0
21668,CO-ADD:0312458,8.43,c1(N2CCCCC2)nc(NCc3ccccc3)nc(Nc(cc4)ccc4OC(Cl)(F)F)n1,0.0
21669,CO-ADD:0312442,8.43,N(C(=O)C(C)Sc1ccccn1)c2c(C)cc(cc2C)C,0.0
21670,CO-ADD:0310856,8.43,C(=N/O)(/C(C)=Nc1c2cccc1)\C(C)=N2,0.0
21671,CO-ADD:0307145,8.43,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c(cc5OC)cc(c5OC)OC)c24,0.0
21672,CO-ADD:0311310,8.43,S(=O)(=O)(N(CCCN1S(=O)(=O)c2c(OC)ccc(Br)c2)CC1)c3c(OC)ccc(Br)c3,0.0
21673,CO-ADD:0320236,8.43,c1([nH]nc2NC(NCCCC)=O)c2c(cc(C)n1)C,0.0
21674,CO-ADD:0320244,8.43,C1(=O)N(c2ccc(cc2)F)C(C)=CC(C)=C1C(O)=O,0.0
21675,CO-ADD:0323864,8.43,N1(c2ccc(cc2)N=Nc3ccccc3)C(=O)\C(\SC1=N)=C\c4c[nH]nc4c5ccc(cc5)F,0.0
21676,CO-ADD:0323760,8.43,C(C(C)=O)(C1c2ccccc2)=C(O)C(N1c3ccc(cc3)OCC(O)=O)=O,0.0
21677,CO-ADD:0306019,8.43,c1(N2CCC(CC2)C)scc(c3ccc(cc3)OC)n1,0.0
21678,CO-ADD:0312353,8.43,C(C1)(Nc2cc(Cl)cc(Cl)c2)=CC(CC1c3ccco3)=O,0.0
21679,CO-ADD:0311519,8.43,C1(C(OCCOCC)=O)=C(C)NC(=O)CC1c2cccc(Cl)c2Cl,0.0
21680,CO-ADD:0311729,8.43,c1(C(OC)=O)cc(OC)c(c(OC)c1NC(OC)=O)OC,0.0
21681,CO-ADD:0303676,8.43,N1(c2ccccc2Cl)CC(CC1=O)C(=O)Nc(cc3)ccc3Oc4ccccc4,0.0
21682,CO-ADD:0302080,8.43,c1(C(O)=O)cc(OC)c(cc1NC(C2CCCCC2)=O)OC,0.0
21683,CO-ADD:0304412,8.43,C1(C)(C)Oc(c2O1)ccc(c2)NC(CCC3CCCC3)=O,0.0
21684,CO-ADD:0302377,8.43,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2I)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
21685,CO-ADD:0303269,8.43,s1c(C)nnc1SCC(=O)Nc2ccccc2OCC,0.0
21686,CO-ADD:0303655,8.43,N(C(=O)\C(\S1)=C/c(cc2)ccc2Br)=C1N3CCC(CC3)C(OCC)=O,0.0
21687,CO-ADD:0301982,8.43,c12c(ccc(cccc3)c13)NC(CC2c4ccccc4C)=O,0.0
21688,CO-ADD:0303973,8.43,c1(sc(c2n1)cccc2)NC(=O)C(=O)Nc3sc(c4n3)cccc4,0.0
21689,CO-ADD:0305802,8.43,c1(NC(COc2ccc(cc2Br)Cl)=O)sc(c(C)c1C(OC)=O)C,0.0
21690,CO-ADD:0305796,8.43,c1(NC(=O)c2ccoc2C)sc(c3c1C(OCC)=O)CCCC3,0.0
21691,CO-ADD:0310883,8.43,S(=O)(=O)(c1ccc(cc1)Br)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc(ccc(c4OC)OC)c4,0.0
21692,CO-ADD:0307251,8.43,S(=O)(=O)(Nc(cc1)ccc1OC)c2c(Cl)nc(c(Cl)c2C)C,0.0
21693,CO-ADD:0312049,8.43,c12c(n(c(N3CCCCC3)n1)CCC\N=C(/CCC4)\N4)C(N(C)C(=O)N2C)=O.Cl,0.0
21694,CO-ADD:0311332,8.43,S(=O)(=O)(N1CCCC(C)C1)c2c(Br)ccc(Br)c2,0.0
21695,CO-ADD:0305719,8.43,S(=O)(=O)(NC(C(C)C)C(O)=O)c1cccc(nsn2)c12,0.0
21696,CO-ADD:0306830,8.43,C(C(OCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(C)o3,0.0
21697,CO-ADD:0307519,8.43,C1(OC(c2ccccc2)=O)=C(C)C(OC(c3ccc(cc3)Cl)C1(C)C)=O,0.0
21698,CO-ADD:0323262,8.43,N1(CCCCCC(=O)Nc2scc(C3CC3)n2)C(=O)c4c(cccc4)C1=O,0.0
21699,CO-ADD:0323575,8.43,C(/C(C)=NN1c(cc2)ccc2C(OCC)=O)(=C/c3cccn3c(cc4)ccc4[N+](=O)[O-])\C1=O,0.0
21700,CO-ADD:0319136,8.43,c1(N2CCC(CC2)Cc3ccccc3)scc(c(cc4)ccc4[N+](=O)[O-])n1,0.0
21701,CO-ADD:0323304,8.43,C(C(OCCSCC)=O)(C1c(cc2)ccc2C(F)(F)F)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
21702,CO-ADD:0311187,8.43,N(C1c2ccc(cc2)O)(C(=O)C(=C1C(=O)c3ccc(cc3)C)O)c4sc(c5n4)cccc5,0.0
21703,CO-ADD:0311018,8.43,c1(C(=O)Nc(cc2)ccc2Br)c(CC3)c(sc1NC(COc4ccccc4C)=O)CN3C(OCC)=O,0.0
21704,CO-ADD:0305909,8.43,c1(NC(=O)C(C)Oc(cc2)ccc2F)sc(c3c1C(N)=O)CCCC3,0.0
21705,CO-ADD:0306321,8.43,c1(NC(COc2ccc(cc2F)F)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
21706,CO-ADD:0311921,8.43,S(=O)(=O)(c(ccc(c12)OCC(=O)N1)c2)N(CC3)CCO3,0.0
21707,CO-ADD:0305855,8.43,c1(NC(=O)c2ccoc2C)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
21708,CO-ADD:0301928,8.43,c1(cc(ccc1C(c2ccccc2)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
21709,CO-ADD:0303053,8.43,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/C)\C=N\OC(c2ccccc2)=O)[N+](=O)[O-],0.0
21710,CO-ADD:0302740,8.43,N1(CC(COc2ccccc2)OC(c(cc3)ccc3[N+](=O)[O-])O1)C(c4ccccc4)=O,0.0
21711,CO-ADD:0303696,8.43,C1(N(C)S(=O)(=O)c2ccc(cc2)Oc(cc3)ccc3Br)=C(C)N(N(c4ccccc4)C1=O)C,0.0
21712,CO-ADD:0312259,8.43,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(C)o4,0.0
21713,CO-ADD:0310766,8.42,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3ccc(C)s3,0.0
21714,CO-ADD:0306896,8.42,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c(cc(OCC)c(c4[N+](=O)[O-])OC(=O)N(CC5)CCO5)c4,0.0
21715,CO-ADD:0312148,8.42,c1(SCC(NCCc2ccccc2)=O)nccn1C,0.0
21716,CO-ADD:0305662,8.42,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cc(C)ccc2C)(C(=O)Nc3ccccc3C)C1c4ccccc4,0.0
21717,CO-ADD:0311325,8.42,S(=O)(=O)(c1ccc(c(C)c1)OC)N(CC2)C(C)CN2S(=O)(=O)c3ccc(c(C)c3)OC,0.0
21718,CO-ADD:0307582,8.42,C(/Nc(cc1)c(C)cc1[N+](=O)[O-])(\Nc2nc(C)cc(C)n2)=N\C(C)=O,0.0
21719,CO-ADD:0306795,8.42,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c(cccc3C(F)(F)F)c3,0.0
21720,CO-ADD:0311052,8.42,n1(c(c(cc2)ccn2)c(nn1)C(OCC)=O)c3nonc3N,0.0
21721,CO-ADD:0310747,8.42,c(NC(=O)c1ccco1)(s2)c(C(OCC)=O)c(c2C(=O)N3CCCC3)C,0.0
21722,CO-ADD:0306813,8.42,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccs3,0.0
21723,CO-ADD:0306717,8.42,C1(C(c2ccccc2)Nc3ccccc3)C(C)C4CC(C4(C)C)C1=O,0.0
21724,CO-ADD:0312598,8.42,C1=C[C@@](CN2C(=O)C)([C@]([C@@]3(O[C@H]4C=C3)C2)([C@]45C(F)(F)F)C(F)(F)F)O[C@H]15,0.0
21725,CO-ADD:0320546,8.42,c1(NN)c(C)cccc1C,0.0
21726,CO-ADD:0320129,8.42,C(/C(NCCCn1cccn1)=O)(\NC(=O)c2ccc(c(C)c2)C)=C/c3cccs3,0.0
21727,CO-ADD:0320311,8.42,[nH]1c(C)c(c2c1c(C)ccc2F)CCNC(=O)c3ccccc3OC,0.0
21728,CO-ADD:0321397,8.42,c(c1)(c(cc2OCC)cc(c2O)Br)c3c(nc1c4ccccc4O)ccc(cccc5)c35,0.0
21729,CO-ADD:0306067,8.42,N1C(=O)C(C#N)C(C([n+]2ccccc2)C1=O)c3ccc(cc3)O.[Cl-],0.0
21730,CO-ADD:0306209,8.42,c1(cc[nH]n1)C(O)=O,0.0
21731,CO-ADD:0306185,8.42,c1(C(=O)c2cccs2)cn(nc1C(C)=O)c3cccc(Cl)c3,0.0
21732,CO-ADD:0306698,8.42,N1(C(C#N)c(cccc2[N+](=O)[O-])c2)C(C)(C)CC(C)=N1,0.0
21733,CO-ADD:0305860,8.42,N1(CCc(cccc2)c12)C(=O)COc3ccc(cc3C)Cl,0.0
21734,CO-ADD:0306258,8.42,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=C3C1c4cccc(cccc5)c45)CCCC3=O,0.0
21735,CO-ADD:0306250,8.42,C1(C(=O)OC(C)CC)=C(C)NC(NC1c2ccc(c(O)c2)OC)=O,0.0
21736,CO-ADD:0312521,8.42,c1(cc(S(N2C[C@](O[C@H]3C4)(C=C3)[C@@H]4C2)(=O)=O)cc5)c5cccc1,0.0
21737,CO-ADD:0306770,8.42,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(=C3C1c4cc(Br)ccc4OC)CCCC3=O,0.0
21738,CO-ADD:0305808,8.42,c1(c2c(sc1NC(=O)c3ccc(cc3)Cl)CCCC2)C(=O)OC(C)C,0.0
21739,CO-ADD:0304383,8.42,P(=O)(N(CC)CC)(c1cccc(c1)[N+](=O)[O-])c2cccc(c2)[N+](=O)[O-],0.0
21740,CO-ADD:0302722,8.42,N1(c2ccc(cc2)OC(F)(Cl)F)C(=O)C(CC1=O)NCCc(ccc(c3OC)OC)c3,0.0
21741,CO-ADD:0304232,8.42,[N+](=O)([O-])c(c(OC)ccc1C2N(CCCN2Cc3ccccc3)Cc4ccccc4)c1,0.0
21742,CO-ADD:0301709,8.42,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c3ccccc3OCCOc(cc4)ccc4C)\C1=O)=O,0.0
21743,CO-ADD:0301432,8.42,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3ccccc3OC,0.0
21744,CO-ADD:0301787,8.42,C1(=O)N(CCCCCCOc(cc2)ccc2[N+](=O)[O-])C(C)=CC(=O)N1C,0.0
21745,CO-ADD:0301438,8.42,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c3ccccc3OCC,0.0
21746,CO-ADD:0302818,8.42,C(=N/N)(/c(cccc1)c1CC23CCCCC2)\N3,0.0
21747,CO-ADD:0302953,8.42,C(=O)(N\N=C\c1ccc(c2c1cccc2)OC)c(cccn3)c3,0.0
21748,CO-ADD:0301723,8.42,C(=C\c(ccc(c1OCC)OCCOc(cc2)ccc2C(C)(C)C)c1)(/C(=O)NC(N3)=O)\C3=O,0.0
21749,CO-ADD:0302090,8.41,c1(C(O)=O)cc(ccc1NC(=O)\C=C/c2ccco2)c(ccc(c3C(O)=O)NC(=O)\C=C/c4ccco4)c3,0.0
21750,CO-ADD:0310799,8.41,c1(C2c3ccccc3OCCC)c([nH]nc1c4ccc(c(Cl)c4)Cl)OC(N)=C2C#N,0.0
21751,CO-ADD:0306788,8.41,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(OCC)c3)OC(C)=O,0.0
21752,CO-ADD:0312064,8.41,c1(SCC(=O)Nc(cccc2C(F)(F)F)c2)nnc[nH]1,0.0
21753,CO-ADD:0307085,8.41,c12c([nH]nc1c3cc(OC)ccc3OC)OC(=C(C#N)C24C(=O)Nc(ccc(C)c5Br)c45)N,0.0
21754,CO-ADD:0323391,8.41,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])oc(c3ccc(cc3)F)c2,0.0
21755,CO-ADD:0319515,8.41,c1(C2c3ccc(cc3)O)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
21756,CO-ADD:0319933,8.41,c1(c2ccc(c(O)c2)O)c3c(ccc(cccc4)c34)nc(CCC(C)C5)c15,0.0
21757,CO-ADD:0222408,8.41,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(ccc(n2)C)c2)c3ccccc3I,0.0
21758,CO-ADD:0222346,8.41,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
21759,CO-ADD:0219801,8.41,C(OCCCC)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2OCc(cc3)ccc3Br,0.0
21760,CO-ADD:0220682,8.41,c1(N(CC2)CCO2)nc(N\N=C\c(cc(Br)cc3Br)c3OC)nc(Nc(cc4)ccc4C)n1,0.0
21761,CO-ADD:0222388,8.41,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\NC(=O)c3ccc(cc3)OC,0.0
21762,CO-ADD:0222069,8.41,c12c(ccc(OC)c1OC)C(OC2=O)Nc3sc4c(ccc(OCC)c4)n3,0.0
21763,CO-ADD:0218621,8.41,c1(cccc(cccc2)c12)CC(=O)N\N=C\c3cccc(OC)c3O,0.0
21764,CO-ADD:0218166,8.41,C(=O)(N\N=C\c1ccccc1OCc2cccc(OC)c2)C(C)Oc(cc3)ccc3Br,0.0
21765,CO-ADD:0218174,8.41,N(=C\c1ccccc1OCc2cccc(Br)c2)/NC(CCCCCCC)=O,0.0
21766,CO-ADD:0218523,8.41,N(=C\c(cc1)ccc1Cl)/NC(CCC(=O)Nc(cc2)ccc2CC)=O,0.0
21767,CO-ADD:0218062,8.41,n(c1ccccc1)(nc(c2\C=N\c(cc3)ccc3c(cc4)ccc4\N=C\c(c(C)nn5c6ccccc6)c5O)C)c2O,0.0
21768,CO-ADD:0218750,8.41,c1(ccccc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
21769,CO-ADD:0218791,8.41,N(/c(cc1)ccc1Sc(cc2)ccc2\N=C\c(cc3)ccc3OC)=C\c(cc4)ccc4OC,0.0
21770,CO-ADD:0218383,8.41,C1(\N=C\c(cc2)ccc2OC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
21771,CO-ADD:0231718,8.41,c1(C(=O)N\N=C\c(cc2)ccc2O)nn(c(c3ccccc3)n1)c4ccccc4,0.0
21772,CO-ADD:0229213,8.41,c1(C(OCC)=O)oc(c2c1NC(=O)CCN3CCCCC3)cccc2,0.0
21773,CO-ADD:0227138,8.41,C(=O)(N\N=C\c1ccccc1OC)C(NCCOC)=O,0.0
21774,CO-ADD:0227152,8.41,n1c(c2ccccc2)cc(N\C=C(\C(C)=O)/C(C)=O)n1c3ccccc3,0.0
21775,CO-ADD:0227892,8.41,N1(c2ccc(cc2)I)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
21776,CO-ADD:0229245,8.41,c1(SCc(c(C)c2C)c(C)c(c2Br)C)[nH]c(c3n1)cccc3,0.0
21777,CO-ADD:0236145,8.4,C(C#N)(C1c2ccccc2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
21778,CO-ADD:0236827,8.4,C1(c2ccc(cc2Cl)Cl)=NNC(=S)N1,0.0
21779,CO-ADD:0236129,8.4,N1(c2ccc(cc2)OCCCCCC)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Cl,0.0
21780,CO-ADD:0234202,8.4,c1(O)c(I)cc(cc1I)\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
21781,CO-ADD:0236126,8.4,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(\CC3)/c4c(C3)cc(OC)cc4)c5nonc5N,0.0
21782,CO-ADD:0236114,8.4,N1(c2cccc(cccc3)c23)C(=O)C(C(C(C45)C(=C6c7ccccc7)C(C=C4)C(C5C8=O)C(N8c9cccc(cccc%10)c9%10)=O)C1=O)C6,0.0
21783,CO-ADD:0232840,8.4,c(c(OC)c1)(cc(c1C(c2ccccc2)=O)OC)C(=O)NC(CC3(C)C)CC(N3)(C)C,0.0
21784,CO-ADD:0229828,8.4,n1(c(C)ccc1C)c2cccc(c2)NC(=O)c(cccc3n4c(C)ccc4C)c3,0.0
21785,CO-ADD:0236772,8.4,c(C(C)=O)(c(c1ccccc1)n2)c(N)c(c23)non3,0.0
21786,CO-ADD:0234596,8.4,N(\C(=C/c(cc(OCO1)c1c2)c2Cl)\C(O3)=O)=C3c(ccc(c4[N+](=O)[O-])C)c4,0.0
21787,CO-ADD:0231106,8.4,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I)(=S)Nc3ccccc3,0.0
21788,CO-ADD:0231505,8.4,c1(oc(c2n1)ccc(c2)\N=C\c(cccc3[N+](=O)[O-])c3)c4ccc(cc4Cl)F,0.0
21789,CO-ADD:0231465,8.4,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C/c(ccc(c4Cl)Cl)c4,0.0
21790,CO-ADD:0233062,8.4,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(NCCNC(CSc3nc(c4ccc(cc4)OC)cc(c5ccc(cc5)OC)c3C#N)=O)=O)c6ccc(cc6)OC,0.0
21791,CO-ADD:0229220,8.4,N1(c(cccc2C(=O)c3ccc(c(C)c3)C)c2)C(=O)c(c4C1=O)ccc(c4)[N+](=O)[O-],0.0
21792,CO-ADD:0233252,8.4,C(=O)(c1ccc(cc1)OC(C2)CS2)Nc(cc3)ccc3I,0.0
21793,CO-ADD:0231378,8.4,C(=C\c(ccc1c2ccc(cc2Cl)[N+](=O)[O-])o1)(/C3=O)\C(=O)c(c34)cccc4,0.0
21794,CO-ADD:0231157,8.4,C(N(CC=C)CC=C)(=S)Oc(cc1)ccc1C(=O)Nc2cccc(Br)c2,0.0
21795,CO-ADD:0225877,8.4,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc4cccc(C)c4)C2=O,0.0
21796,CO-ADD:0225855,8.4,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)N(CC4)CCN4c5ccccc5F)=O,0.0
21797,CO-ADD:0226255,8.4,S(=O)(=O)(N(Cc(cc1)ccc1C)c2cccc(F)c2)c(ccc3n4c(C)nn3)c4,0.0
21798,CO-ADD:0226263,8.4,S(=O)(=O)(N(Cc(cc1)ccc1OC)c2cccc(F)c2)c(ccc3n4c(CC)nn3)c4,0.0
21799,CO-ADD:0225887,8.4,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc4cccc(Cl)c4)C2=O,0.0
21800,CO-ADD:0222819,8.4,S(=O)(=O)(c1ccc(cc1)C)N(C)CC(=O)N\N=C\c2ccccc2[N+](=O)[O-],0.0
21801,CO-ADD:0219358,8.4,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc(cc3)ccc3Br)Nc(cc4)ccc4Br,0.0
21802,CO-ADD:0219558,8.4,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c(cc2)ccc2OCC,0.0
21803,CO-ADD:0219505,8.4,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc2ccccc2Br,0.0
21804,CO-ADD:0219812,8.4,c1(coc(ccc(OC(CCl)=O)c2)c12)C(=O)c3cccs3,0.0
21805,CO-ADD:0219169,8.4,N(/NC(CCC(=O)Nc(cc1)ccc1F)=O)=C\c2ccco2,0.0
21806,CO-ADD:0222591,8.39,C(=O)(CCCl)NCc(cc1)ccc1OCCCCCC,0.0
21807,CO-ADD:0222549,8.39,N(=C\c(cc(Cl)cc1Br)c1O)/c2c(C)cccc2O,0.0
21808,CO-ADD:0226035,8.39,C1(=N2)N(C=CN=C1N(CC3)CCS3)C(N2CC(=O)NCc4ccccc4OC)=O,0.0
21809,CO-ADD:0218619,8.39,C(=O)(Nc(cc1)ccc1F)C\C(\C)=N\NC(c2ccccc2)=O,0.0
21810,CO-ADD:0218635,8.39,C(=O)(Nc(cc1)ccc1OC)\C=C\c(cc2)ccc2Br,0.0
21811,CO-ADD:0218286,8.39,C(=C\C=C\c1ccccc1)(/C(C)=O)\C(C)=O,0.0
21812,CO-ADD:0218275,8.39,C(=O)(N(C)C)c1ccccc1C(=O)N(C)C,0.0
21813,CO-ADD:0218569,8.39,C(=O)(Nc1ccccc1)N\N=C(/c2ccccc2)\C=C\c3ccccc3,0.0
21814,CO-ADD:0220605,8.39,C(=C/c1ccccc1O)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3C(O)=O,0.0
21815,CO-ADD:0227520,8.39,c(\C=N/NC(CNC(=O)C(c1ccccc1)c2ccccc2)=O)(cc(I)cc3I)c3OC,0.0
21816,CO-ADD:0227145,8.39,C1(C(OCC)=O)(C(OCC)=O)C(c2ccccc2)CC(CC1c3ccccc3)=O,0.0
21817,CO-ADD:0229201,8.39,c1(n[nH]nc1c2ccccc2[N+](=O)[O-])[N+](=O)[O-],0.0
21818,CO-ADD:0227424,8.39,c1(NCC(=O)N\N=C\c(cc2)ccc2OC)c(Br)cc(cc1Br)Br,0.0
21819,CO-ADD:0229563,8.39,S(NCCCNc1ccc(cc1[N+](=O)[O-])Cl)(c2ccccc2)(=O)=O,0.0
21820,CO-ADD:0227519,8.39,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N/NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O,0.0
21821,CO-ADD:0236044,8.39,N1(CC(NCCNC(=O)CN2C(=O)c(c3C2=O)cccc3[N+](=O)[O-])=O)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
21822,CO-ADD:0234498,8.39,C1([N+](=O)[O-])\C(=N/c(ccc(c2C)C)c2)\c(c3C1=O)cccc3,0.0
21823,CO-ADD:0233582,8.39,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3Oc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c5cc(Cl)ccc5Cl,0.0
21824,CO-ADD:0234479,8.39,n(nnc1C(c2ccccc2)=O)(c1c3ccccc3)c4nonc4N,0.0
21825,CO-ADD:0234632,8.39,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c3ccccc3Cl,0.0
21826,CO-ADD:0233662,8.39,n12c(ccc(Cl)n1)nnn2,0.0
21827,CO-ADD:0232963,8.39,N1(c(cccc2N3C(=O)c4c(cccc4)C3=O)c2)C(=O)c5c(cc(cc5)Oc(cccc6N7C(=O)c8c(cccc8)C7=O)c6)C1=O,0.0
21828,CO-ADD:0236225,8.39,c1(C#N)c2c(CCC2)c(nc1SCC(=O)CC(OCC)=O)C.c3(C#N)c(C)c4c(nc3SCC(=O)CC(OCC)=O)CCC4,0.0
21829,CO-ADD:0231235,8.39,N1(c2cccc(c2)C(=O)Nc(cccc3[N+](=O)[O-])c3)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc(cccc5[N+](=O)[O-])c5,0.0
21830,CO-ADD:0229931,8.39,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(ccc(c23)OC(C=C2C)=O)c3,0.0
21831,CO-ADD:0231418,8.39,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
21832,CO-ADD:0225183,8.39,N12C(C=CC(C(=O)NCc3ccccc3)=C1)=NN(CC(=O)Nc(cc4)ccc4Br)C2=O,0.0
21833,CO-ADD:0221751,8.39,C(=N/NC(COC)=O)(/c1c(N2)cccc1)\C2=O,0.0
21834,CO-ADD:0221085,8.39,c(cc1C)(c2c(n1)cccc2)C(=O)N\N=C\c3ccccc3OCc4cccc(Br)c4,0.0
21835,CO-ADD:0221448,8.39,c1(C(OCC)=O)c(C)c(sc1\N=C\c(ccc(c23)OCCOCCOCCO2)c3)C(OCC)=O,0.0
21836,CO-ADD:0220940,8.39,C(=N/NC(=O)c1ccc(cc1)Br)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
21837,CO-ADD:0220079,8.39,C(/c1c(N2)cccc1)(\C2=O)=N/c3c(Cl)cc(cc3Br)Br,0.0
21838,CO-ADD:0220330,8.39,c1(\C=N\NC(CNc2ccccc2C)=O)c(O)ccc(cccc3)c13,0.0
21839,CO-ADD:0219293,8.38,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c4ccccc4F,0.0
21840,CO-ADD:0220873,8.38,S(=O)(=O)(c1ccc(cc1)CCCl)Nc(cc2)ccc2C(NCCCCCCCCCCC)=O,0.0
21841,CO-ADD:0222440,8.38,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(=O)c(cccn3)c3)[N+](=O)[O-],0.0
21842,CO-ADD:0226036,8.38,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)NCc(cc4)ccc4OC)=O,0.0
21843,CO-ADD:0226005,8.38,C1(=N2)N(C=CN=C1N3CCCC3)C(N2CC(=O)Nc(ccc(c4Cl)OC)c4)=O,0.0
21844,CO-ADD:0226406,8.38,S(=O)(=O)(c1cc(C)ccc1C)Nc(ccc(n2c3)nn3)n2,0.0
21845,CO-ADD:0218796,8.38,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(Cc(cc2)ccc2Cl)=O,0.0
21846,CO-ADD:0218730,8.38,c1(ccccc1Cl)C(=O)N\N=C(\C)/CC(=O)Nc2ccccc2CC,0.0
21847,CO-ADD:0218781,8.38,c1(ccc(cc1O)O)C(=O)N\N=C(/C)\CC(=O)Nc2cccc(Cl)c2C,0.0
21848,CO-ADD:0218797,8.38,C(=O)(c1ccc(cc1)OC)Oc2ccccc2\C=N\NC(c3ccccc3)=O,0.0
21849,CO-ADD:0218333,8.38,c1(ccccc1O)C(=O)N\N=C\c2ccccc2,0.0
21850,CO-ADD:0220138,8.38,N(=C(/C)\C)/NC(CCC(C)O)=O,0.0
21851,CO-ADD:0222616,8.38,n1c(c(cc2)ccc2c3ccccc3)csc1Nc(ccc(c4C)C)c4.Br,0.0
21852,CO-ADD:0222517,8.38,c(cc(Cl)cc1Br)(\C=N\c(ccc(c2Cl)OC)c2)c1O,0.0
21853,CO-ADD:0220599,8.38,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(COc3ccc(cc3Cl)Cl)=O,0.0
21854,CO-ADD:0220668,8.38,c1(N(CC2)CCO2)nc(N\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])Br)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
21855,CO-ADD:0220792,8.38,C(CNc1cccc(C)c1)(=O)N\N=C\c(ccc(c2OCC)O)c2,0.0
21856,CO-ADD:0229658,8.38,c1(cc(Cl)cc(Cl)c1OCC(=O)Nc2ccccc2OC)[N+](=O)[O-],0.0
21857,CO-ADD:0227393,8.38,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)Br)OC(=O)c3cccc(C)c3,0.0
21858,CO-ADD:0229263,8.38,C(C)(C)(c1ccc(cc1)Oc(cc2)ccc2NC(C)=O)c3ccc(cc3)Oc(cc4)ccc4NC(C)=O,0.0
21859,CO-ADD:0227116,8.38,c12n(c(c3s1)ccc(c3)C(OCC)=O)cc(c4ccc(cc4)Br)n2,0.0
21860,CO-ADD:0229369,8.38,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
21861,CO-ADD:0227485,8.38,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c4cc(Br)cc(Br)c4OC(=O)c5cccc(C)c5,0.0
21862,CO-ADD:0234692,8.38,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(COc3ccccc3C#N)=O)Br,0.0
21863,CO-ADD:0234668,8.38,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c3cccc(F)c3,0.0
21864,CO-ADD:0234492,8.38,N(CC1)(CCN1CCC(=O)Nc2cccc(Br)c2)C(OCC)=O.Cl,0.0
21865,CO-ADD:0236272,8.38,c1(cc(OC)cc(OC)c1)C(NCCOc2ccccc2C)=O,0.0
21866,CO-ADD:0236315,8.38,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
21867,CO-ADD:0233463,8.38,c(\C=N\c1ccccc1O)(c(C)c2Cl)c(O)c(c2C)Br,0.0
21868,CO-ADD:0231605,8.38,c1(c2ccc(cc2)\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])sc(c5n1)cccc5,0.0
21869,CO-ADD:0227790,8.38,C(c1ccccc1)(c2ccccc2)(OC(NCCCCCCCl)=O)C(OC)=O,0.0
21870,CO-ADD:0233057,8.38,N1(CCC(=O)NC(CC(CC23)CC4C2)(C3)C4)C(=O)c(c5C1=O)cccc5,0.0
21871,CO-ADD:0233002,8.38,S(=O)(=O)(N(CC)CC)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c2ccc(cc2Cl)Cl,0.0
21872,CO-ADD:0234208,8.37,c1(cc(Cl)cc(\C=N\c(ccc(c23)oc(c4ccc(c(Cl)c4)Cl)n2)c3)c1O)[N+](=O)[O-],0.0
21873,CO-ADD:0234544,8.37,c1([N+](=O)[O-])c(C)nn(cc[nH]2)c12,0.0
21874,CO-ADD:0226949,8.37,c12n(c(nn1)CCC(NCCC(CC(CC34)CC5C3)(C4)C5)=O)c(c6C(=O)N2CCCC)ccs6,0.0
21875,CO-ADD:0225357,8.37,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc(cc5)ccc5Cl,0.0
21876,CO-ADD:0226157,8.37,S(=O)(=O)(N(Cc(cc1)ccc1Cl)c2cc(C)cc(C)c2)c3cccn(c(nn4)C)c34,0.0
21877,CO-ADD:0219195,8.37,C(=O)(c1ccc(cc1)OC(c2ccccc2)=O)Nc3ccccc3,0.0
21878,CO-ADD:0220611,8.37,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c3cccc(C)c3)=C\c4cccs4,0.0
21879,CO-ADD:0222355,8.37,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3Cl)Cl)c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
21880,CO-ADD:0222290,8.37,c(cc(Cl)cc1Cl)(\C=N\c2ccc(cc2O)C)c1O,0.0
21881,CO-ADD:0222114,8.37,N1(c2ccc(cc2)Br)C(=O)C(C(C1=O)C34CO)C(c(c35)cccc5)c(c46)cccc6,0.0
21882,CO-ADD:0219342,8.37,N1(\N=C\c2ccccc2Br)C(=O)c3c(N=C1c4ccc(c(OC)c4)OC)cccc3,0.0
21883,CO-ADD:0220233,8.37,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
21884,CO-ADD:0222289,8.37,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
21885,CO-ADD:0220750,8.37,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(ccc(c2O)OCC)c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
21886,CO-ADD:0220552,8.37,c1(ccc(Br)s1)\C(\C)=N\NC(CNc(cc2)ccc2C)=O,0.0
21887,CO-ADD:0220472,8.37,c1(OC)c(OC)cc(cc1OC)\C=N\NC(COc(cc2)c(C)cc2C(C)(C)C)=O,0.0
21888,CO-ADD:0219144,8.37,c1(C)c(cccc1NC(CCC(=O)N\N=C\c2cccc(OC)c2)=O)Cl,0.0
21889,CO-ADD:0226854,8.37,N1(c(ccs2)c2C(N3Cc4ccccc4OC)=O)C3=NN(CC(=O)c5ccc(cc5)OCC)C1=O,0.0
21890,CO-ADD:0225831,8.37,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)Nc(cc4)ccc4OC)=O,0.0
21891,CO-ADD:0218695,8.37,C(=C/c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc(c3OC)OC)c3,0.0
21892,CO-ADD:0218560,8.37,C(OCCCCCCCCC)(NCCCCNC(OCCCCCCCCC)=O)=O,0.0
21893,CO-ADD:0218667,8.37,[N+](=O)([O-])c1ccccc1C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2F,0.0
21894,CO-ADD:0218683,8.37,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)Nc(cc3)ccc3[N+](=O)[O-],0.0
21895,CO-ADD:0218532,8.37,c1(\C=N\NC(CCC(=O)Nc(cc2)ccc2CC)=O)c(cccc1Cl)Cl,0.0
21896,CO-ADD:0219565,8.37,C(=O)(c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\c3ccccc3C)Oc(cc4)ccc4\C=N\c5ccccc5C,0.0
21897,CO-ADD:0222208,8.37,c1(c2ccc(c3c2)cccc3)oc4c(ccc(c4)\N=C\c(cccc5[N+](=O)[O-])c5O)n1,0.0
21898,CO-ADD:0221265,8.37,[N+](=O)([O-])c1ccc(cc1)CN(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3CCCC,0.0
21899,CO-ADD:0221646,8.37,c1(N2CCCCC2)nc(N\N=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3)nc(Nc(cc5)ccc5[N+](=O)[O-])n1,0.0
21900,CO-ADD:0218989,8.37,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(c2c([nH]3)cccc2)c3)c1,0.0
21901,CO-ADD:0221517,8.36,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\NNC(=O)c3ccccc3[N+](=O)[O-],0.0
21902,CO-ADD:0236909,8.36,C1(C(OC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(=O)N3CCCCC3)=S,0.0
21903,CO-ADD:0234064,8.36,c1(ccccc1Cl)C(=O)N\N=C\c2cccc(Br)c2,0.0
21904,CO-ADD:0236253,8.36,c1(csc(Nc2ccccc2OC)n1)c3cc(c4o3)cccc4,0.0
21905,CO-ADD:0233394,8.36,n1c(C)c(sc1N)C.Br,0.0
21906,CO-ADD:0227913,8.36,c1(nc(c2cccs2)cc3C(F)(F)F)n3nc(C(NCCc4ccccc4)=O)n1,0.0
21907,CO-ADD:0227217,8.36,C(CNc1cccc(Br)c1)(=O)N\N=C\c2cccc(OC)c2,0.0
21908,CO-ADD:0234631,8.36,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N\NC(CNC(=O)c3ccco3)=O)Br,0.0
21909,CO-ADD:0233136,8.36,n1(CC(COCc2ccccc2)O)c3c(c(cccc4)c14)cccc3,0.0
21910,CO-ADD:0234939,8.36,c1(cc(cc(OC)c1OCC(=O)N\N=C\c2ccc(cc2OC)OC)[N+](=O)[O-])[N+](=O)[O-],0.0
21911,CO-ADD:0235000,8.36,c1(N2CCCCC2)nc(N\N=C\c(cc(OC)c(c3)OC)c3OC)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
21912,CO-ADD:0236016,8.36,S(=O)(=O)(c1ccc(cc1)NC(=O)c(cccc2NC(=O)C(F)(F)F)c2)Nc3sccn3,0.0
21913,CO-ADD:0234443,8.36,N(CC1)(CCO1)CCOc2cccc(Cl)c2,0.0
21914,CO-ADD:0226205,8.36,S(=O)(=O)(N(c1ccccc1)Cc(cc2F)cc(c2)F)c(ccc3n4c(C)nn3)c4,0.0
21915,CO-ADD:0225750,8.36,C1(=N2)N(C=CN=C1Sc3cccc(C)c3)C(N2CC(=O)N(CC4)CCN4c5ccccc5OC)=O,0.0
21916,CO-ADD:0226200,8.36,N12C(C=CC(=C1)S(=O)(=O)N3CCCCCC3)=NN(Cc(ccc4C(OC)=O)o4)C2=O,0.0
21917,CO-ADD:0225793,8.36,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4cccc(Br)c4)=O,0.0
21918,CO-ADD:0219322,8.36,C(C#N)(C1c2cccc(Cl)c2)=C(N)Oc(cc(O)c(\C=N\c3ccccc3I)c4)c14,0.0
21919,CO-ADD:0220580,8.36,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(CNc3ccccc3C)=O)o2,0.0
21920,CO-ADD:0219267,8.36,C(OC)(=O)c1ccc(cc1)NC(CCCCCCCCC=C)=O,0.0
21921,CO-ADD:0219239,8.36,C(=O)(N\N=C\CCCCCCC)c1ccc(cc1)NC(CCCCCCC)=O,0.0
21922,CO-ADD:0219227,8.36,c(C(OCC)=O)(c(C)nc1NC(c2ccccc2)=O)s1,0.0
21923,CO-ADD:0219107,8.36,c(cccn1)(c(Br)ccc2\N=C\c3ccccc3O)c12,0.0
21924,CO-ADD:0222248,8.36,c1(ccc(\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)o1)c4cc(Cl)ccc4Cl,0.0
21925,CO-ADD:0222780,8.36,c1(ccc(C(=O)Oc2cccc(c2)\C=N\NC(COc3ccccc3[N+](=O)[O-])=O)o1)[N+](=O)[O-],0.0
21926,CO-ADD:0220630,8.36,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/C)\c3ccc(cc3)OC,0.0
21927,CO-ADD:0222687,8.36,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(Cc(cc2)ccc2O)NC(C)=O,0.0
21928,CO-ADD:0219097,8.36,n1c(c2cccc(C)c2)[nH]c(c(cc3)ccc3c4ccccc4)c1c5ccccc5,0.0
21929,CO-ADD:0231448,8.36,N(=C\c(c(O)ccc1C(O)=O)c1)/c2c(C)cccc2O,0.0
21930,CO-ADD:0236160,8.36,N1(\N=C\c2cc(OC)ccc2OC)C(C)=Nc(c3C1=O)cccc3,0.0
21931,CO-ADD:0229752,8.36,N1(c2ccc(cc2)Oc3ccccc3)C(=O)c(c4C1=O)ccc(c4)C5=Nc(c6C(=O)O5)cccc6,0.0
21932,CO-ADD:0236419,8.36,n1c2c(oc1c3ccccc3)ccc(c2)NC(=O)c(c4)cc(cc4[N+](=O)[O-])[N+](=O)[O-],0.0
21933,CO-ADD:0231618,8.36,[N+](=O)([O-])c1cc2c(cc1\C=N\c(ccc3c4cccn3)c4)OCO2,0.0
21934,CO-ADD:0231376,8.36,c1(oc(c2n1)ccc(c2)\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])OC)c4ccc(cc4Cl)Cl,0.0
21935,CO-ADD:0227587,8.36,C(COc1ccc(cc1Br)Cl)(=O)N\N=C/c(cc2)ccc2OC(=O)\C=C\c3ccco3,0.0
21936,CO-ADD:0229618,8.35,n1c(ccc(C#N)c1SCC(c2ccccc2)=O)c(cccn3)c3,0.0
21937,CO-ADD:0229568,8.35,S(NCCNc(cc1)ccc1[N+](=O)[O-])(=O)(=O)c2ccc(c3c2)cccc3,0.0
21938,CO-ADD:0231675,8.35,c1(OCC(=O)N\N=C\c2c3c(cccc3)cc(cccc4)c24)c(OC)cc(cc1Br)Br,0.0
21939,CO-ADD:0229387,8.35,[N+](=O)([O-])c1ccc(cc1\C=N\NC(=O)C2COc(c3O2)cccc3)O,0.0
21940,CO-ADD:0231845,8.35,[N+](=O)([O-])c1cccc(\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)c1O,0.0
21941,CO-ADD:0233766,8.35,N1(CCC[C@@H](C1)c(ccn2)o2)C(=O)[C@H](N)CC(N)=O.Cl,0.0
21942,CO-ADD:0233758,8.35,N1(CCC[C@@H](C1)c(ccn2)o2)C(=O)[C@@H]3CCCN3.Cl,0.0
21943,CO-ADD:0233742,8.35,c1([nH]nc(C(CC2)CCN2C([C@@H](CCCCN)N)=O)c1)C(F)(F)F.Cl.Cl,0.0
21944,CO-ADD:0234727,8.35,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3cccc(F)c3)=O,0.0
21945,CO-ADD:0233729,8.35,c1([nH]nc(C(CC2)CCN2C(CCc(o3)cc(n3)Cl)=O)c1)C(F)(F)F,0.0
21946,CO-ADD:0229034,8.35,C(c1ccccc1)(=O)Nc(cc2)ccc2OC,0.0
21947,CO-ADD:0233696,8.35,c1([nH]nc(C(CC2)CCN2C(=O)[C@@H](C(C)C)N)c1)C(F)(F)F.Cl,0.0
21948,CO-ADD:0229538,8.35,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\NNC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
21949,CO-ADD:0233691,8.35,c1([nH]nc(C(CC2)CCN2C(=O)c3ccc(cc3)OCCN(C)C)c1)C(F)(F)F,0.0
21950,CO-ADD:0229798,8.35,c(C(OCC)=O)(s1)c(NC(C)=O)c(c12)CCC(Sc3ccccc3)C2O,0.0
21951,CO-ADD:0229793,8.35,c(C(=O)c1ccc(cc1)Br)(sc(c23)nc(c(C\C=C/C)c2C)C)c3N,0.0
21952,CO-ADD:0234763,8.35,c1(c2c(sc1NC(c3ccccc3)=O)CCCC2)C(=O)N(CC4)CCO4,0.0
21953,CO-ADD:0226953,8.35,c1(C2=O)n(c(nn1)CCC)c3c(cccc3)N2CC(=O)Nc(ccc(c4Cl)Cl)c4,0.0
21954,CO-ADD:0225801,8.35,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc(ccc(c4Cl)OC)c4)=O,0.0
21955,CO-ADD:0225743,8.35,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4ccc(cc4Br)C)=O,0.0
21956,CO-ADD:0226903,8.35,n(c1c(cccc1)nc2SCC(=O)Nc3cccc(Br)c3)(c(C(C)C)nn4)c24,0.0
21957,CO-ADD:0226203,8.35,S(=O)(=O)(N(c1ccccc1)Cc(cc2F)cc(c2)F)c(ccc(n3c4)nn4)c3,0.0
21958,CO-ADD:0221837,8.35,C(C#N)(C1c2cccs2)=C(S)NC(C)=C1C(C)=O,0.0
21959,CO-ADD:0221217,8.35,C12C(ON=C(c3ccccc3Cl)N1)Nc(cccc4)c4N2C,0.0
21960,CO-ADD:0221939,8.35,N1(Nc2ccccc2OC)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
21961,CO-ADD:0222619,8.35,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3Br)CCC2,0.0
21962,CO-ADD:0221920,8.35,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\NNc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
21963,CO-ADD:0220549,8.35,c(\C=N\NC(CNc(cc1)ccc1C)=O)(c(cccc2)c2n3C)c3,0.0
21964,CO-ADD:0219717,8.35,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
21965,CO-ADD:0222023,8.35,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(cccn2)c2)c3cccc(F)c3,0.0
21966,CO-ADD:0219100,8.35,N(=C\c1cccc(I)c1)/NC(CCCC(=O)Nc(cc2)ccc2Br)=O,0.0
21967,CO-ADD:0222785,8.35,c1(\C=N\NC(COc2ccc(cc2C)C)=O)c3c(cccc3)cc(cccc4)c14,0.0
21968,CO-ADD:0219836,8.34,N(C(COc1ccccc1)=O)c2ccc(cc2C)C,0.0
21969,CO-ADD:0231841,8.34,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c4cc(Cl)ccc4O,0.0
21970,CO-ADD:0232995,8.34,[N+](=O)([O-])c1ccc(cc1)CN(CC2)CCN2CCNC(=O)C(=O)NCc3ccco3,0.0
21971,CO-ADD:0231031,8.34,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2OCC)(=S)Nc3ccccc3,0.0
21972,CO-ADD:0231171,8.34,C(CCCCCCCCCCC(=O)Nc1cccc(Cl)c1)(=O)Nc2cccc(Cl)c2,0.0
21973,CO-ADD:0221662,8.34,c(c(C)on1)(c1c2ccccc2)C(=O)Nc(cc3)ccc3N=Nc4ccccc4,0.0
21974,CO-ADD:0222373,8.34,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
21975,CO-ADD:0219089,8.34,c1(c(OC)cc(c2c1)cccc2)C(=O)N\N=C\c(c(OCC)ccc3[N+](=O)[O-])c3,0.0
21976,CO-ADD:0219243,8.34,c(cc(I)cc1I)(\C=N\c(c2)cc(cc2C)C)c1O,0.0
21977,CO-ADD:0219093,8.34,C(=O)(c1ccc(cc1)OCCCCCCCCCC)N\N=C(/C)\C=C\c2ccccc2,0.0
21978,CO-ADD:0220329,8.34,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C\c4cc(C)c(cc4O)C,0.0
21979,CO-ADD:0229343,8.34,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc(c2OCC)OCc3ccccc3)c2)c4c(C)ccc(Cl)c4,0.0
21980,CO-ADD:0231670,8.34,n1c2c(oc1c3ccc(cc3)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4)cc(C)c(C)c2,0.0
21981,CO-ADD:0229168,8.34,c1(NC(COc(cc2)ccc2CC(C(OC)=O)NC(c3ccccc3)=O)=O)sc(c4c1C(OCC)=O)CCCC4,0.0
21982,CO-ADD:0229887,8.34,C(=O)(c1cccc(N)c1)c2ccc(c(C)c2)C,0.0
21983,CO-ADD:0227496,8.34,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc(I)cc4I)c4O,0.0
21984,CO-ADD:0227731,8.34,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)\N=C\c4c(cccc4F)Cl)n1,0.0
21985,CO-ADD:0231349,8.34,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c2cccc(O)c2O)c3ccccc3OC,0.0
21986,CO-ADD:0234227,8.34,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c3ccccc3Br,0.0
21987,CO-ADD:0227703,8.34,C1(c2ccc(cc2)\N=C\c(ccc(c3Cl)Cl)c3)=Cc4c(OC1=O)cccc4,0.0
21988,CO-ADD:0233479,8.34,N(\C(=C/c1cccc(C)c1)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
21989,CO-ADD:0234367,8.34,N1(CNc2ccccc2C)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
21990,CO-ADD:0234232,8.34,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c2ccccc2Br)=O)c3ccccc3Br,0.0
21991,CO-ADD:0236918,8.34,C(C#N)(C1c2scc(Br)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
21992,CO-ADD:0233325,8.34,C(=O)(Cc1ccccc1)c2ccc(cc2)OCCC,0.0
21993,CO-ADD:0236127,8.34,C(CCNC(c1ccccc1)=O)(CN(CC2)CCO2)([N+](=O)[O-])[N+](=O)[O-],0.0
21994,CO-ADD:0236093,8.34,c1(ccc[nH]1)\C=N\c(cc2)ccc2NC(C)=O,0.0
21995,CO-ADD:0234140,8.34,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccc(cc3)Br)OC,0.0
21996,CO-ADD:0236070,8.34,C1(C(=O)N\N=C\c2c3c([nH]c2C)cccc3)CC1c4ccccc4,0.0
21997,CO-ADD:0225804,8.34,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4cccc(C)c4)=O,0.0
21998,CO-ADD:0226384,8.34,N1(C(C)=CC(=N2)Nc3ccccc3C)C2=NN(CCc4ccccc4)C1=O,0.0
21999,CO-ADD:0226974,8.34,N(C1=O)(c(ccs2)c2C(N3CC(C)C)=O)C3=NN1CC(=O)N(CCCC4C(OCC)=O)C4,0.0
22000,CO-ADD:0225374,8.34,c12n(ccn(nc(c3ccccc3)c4)c14)c(nn2)SCC(NCCC(C)C)=O,0.0
22001,CO-ADD:0222480,8.34,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c(ccc2c3c(Cl)ccc(c3)[N+](=O)[O-])o2)[N+](=O)[O-],0.0
22002,CO-ADD:0222637,8.34,[N+](=O)([O-])c1ccc(c(c1)\N=C\c(cc2)ccc2Br)C,0.0
22003,CO-ADD:0222612,8.34,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(ccc(c3C)C)c3)n2)N4CCCCC4.Br,0.0
22004,CO-ADD:0219319,8.34,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C(/C2)\CCCCCCCCCC2,0.0
22005,CO-ADD:0219210,8.34,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c2ccccc2)c1,0.0
22006,CO-ADD:0219197,8.33,n1(C(C)=O)nc(cc1c2ccccc2)C,0.0
22007,CO-ADD:0219233,8.33,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2C(=O)Nc3ccccc3)c1,0.0
22008,CO-ADD:0220119,8.33,c1(C#N)c(C)cc(nc1SCC(=O)Nc(cc2)ccc2Br)C,0.0
22009,CO-ADD:0219674,8.33,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N\N=C\c(ccc(c3[N+](=O)[O-])N(CC)CC)c3,0.0
22010,CO-ADD:0219504,8.33,c1(ccc(cc1OC)OC)\C(\C)=N\NC(Cc2ccccc2)=O,0.0
22011,CO-ADD:0221985,8.33,c1(cc(\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)cc(OC)c1O)[N+](=O)[O-],0.0
22012,CO-ADD:0226048,8.33,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4)C(N2CC(=O)Nc(ccc(c56)OCO5)c6)=O,0.0
22013,CO-ADD:0236194,8.33,C(C#N)(C(c(cccc1[N+](=O)[O-])c1)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
22014,CO-ADD:0233410,8.33,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c3ccc(cc3OC)OC,0.0
22015,CO-ADD:0233575,8.33,c1(oc(c2n1)ccc(c2)\N=C\c3ccc(cc3Cl)Cl)c4cc(Cl)ccc4Cl,0.0
22016,CO-ADD:0231172,8.33,c1(c2c([nH]c1)cccc2)\C(=N/Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])\C(=O)Nc4ccccc4,0.0
22017,CO-ADD:0234985,8.33,N(\C(=C/c1ccco1)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
22018,CO-ADD:0219080,8.33,C(=O)(N\N=C\c1ccccc1C)c2ccc(cc2)OCCCCCCCCCC,0.0
22019,CO-ADD:0221695,8.33,C(=O)(NCc(ccc(c12)OCO1)c2)Nc(cc3)ccc3Br,0.0
22020,CO-ADD:0221638,8.33,C(=O)(Nc1cccc(F)c1)c2ccccc2I,0.0
22021,CO-ADD:0219030,8.33,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2c(C)c(C)cc(C)c2C,0.0
22022,CO-ADD:0220328,8.33,n1c2c(oc1c3ccc(cc3)\N=C\c4cc(C)c(cc4O)C)ccc(C)c2,0.0
22023,CO-ADD:0227720,8.33,c(C(=O)Nc(cc(Oc(cc(C)cc1C(C)C)c1)cc2[N+](=O)[O-])c2)(c(c3ccccc3)nn4c5ccccc5)c4C,0.0
22024,CO-ADD:0227982,8.33,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(COc2ccc(cc2OC)Br)=O)C(C)(C)C,0.0
22025,CO-ADD:0227973,8.33,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N/NC(COc3ccc(cc3OC)Br)=O,0.0
22026,CO-ADD:0227609,8.33,[N+](=O)([O-])c1cccc(c1)\N=C\c(cc2)ccc2C#Cc3ccccc3,0.0
22027,CO-ADD:0229553,8.33,C1(=Cc(cccc2)c2OC1c3c(cccc3Cl)Cl)[N+](=O)[O-],0.0
22028,CO-ADD:0227798,8.33,C(O)(c1ccccc1)(c2ccccc2)C3CCCCCN3.Cl,0.0
22029,CO-ADD:0234192,8.32,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(COc3ccccc3C#N)=O)Br,0.0
22030,CO-ADD:0234421,8.32,N(CC(NN)=O)(c(cccc1)c1C23OCCO2)C3=O,0.0
22031,CO-ADD:0236832,8.32,C1(C(O)=O)C(c2ccccc2)C=CC(c3ccccc3)C1C(OC)=O,0.0
22032,CO-ADD:0236083,8.32,c1(c(O)cc(c(\C=N\NC(=O)c(cccn2)c2)c1)O)[N+](=O)[O-],0.0
22033,CO-ADD:0236075,8.32,c1(c2ccc(cc2)\N=C\c(cc3)cc(c3OC(C)=O)OC)sc4c(ccc(C)c4)n1,0.0
22034,CO-ADD:0233315,8.32,C1(=O)C(C)(c2ccc(cc2)OCCCC)CC(=O)N1,0.0
22035,CO-ADD:0237288,8.32,Cc1cc(C)n(n1)c2ccc(NC(=O)C3CCN(Cc4cnc(C)s4)CC3)cc2,0.0
22036,CO-ADD:0237211,8.32,Cc1ccccc1CN2CCC(O)(CC2)c3ccc(Cl)c(c3)C(F)(F)F,0.0
22037,CO-ADD:0237212,8.32,CC(=O)N1CCc2cc3nc(C)cc(C)c3cc12,0.0
22038,CO-ADD:0237396,8.32,Fc1ccccc1c2oc(NCCc3ccccc3)c(n2)C#N,0.0
22039,CO-ADD:0237402,8.32,Nc1ncc(Br)cc1c2nc3cc(Cl)cnc3[nH]2,0.0
22040,CO-ADD:0237356,8.32,CCC1=CC(=O)N(C)C(=N1)SC(C)C(=O)Nc2ccc(F)cc2,0.0
22041,CO-ADD:0233274,8.32,N1(C=C(C)C(NC1=O)=O)C2CC(C(COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)O2)O,0.0
22042,CO-ADD:0236636,8.32,c(C(c1ccccc1)=O)(sc(c23)snc2SCC(c4ccccc4)=O)c3N,0.0
22043,CO-ADD:0236037,8.32,c1(SCC(=O)Nc2ccccc2C#N)oc(c3n1)cccc3,0.0
22044,CO-ADD:0234405,8.32,n1(c2ccccc2)nnnc1SCC(=O)Nc(cc3)ccc3CC,0.0
22045,CO-ADD:0231639,8.32,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c(cc4)ccc4Br,0.0
22046,CO-ADD:0233342,8.32,c1(OC)c(ccc(OC)c1)CCC(C)NC(CCc2ccccc2)=O,0.0
22047,CO-ADD:0234690,8.32,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccccc2C#N)=O)c3cccc(F)c3,0.0
22048,CO-ADD:0234620,8.32,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccco2)=O)c3ccccc3I,0.0
22049,CO-ADD:0225401,8.32,c12n(ccn(nc(c3ccccc3)c4)c14)c(nn2)SCC(=O)N(C)Cc5ccccc5,0.0
22050,CO-ADD:0225409,8.32,C1(=N2)N(C=Cn(nc(c3ccc(cc3)F)c4)c14)C(N2CC(=O)Nc5c(OC)ccc(OC)c5)=O,0.0
22051,CO-ADD:0225433,8.32,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5c(OC)ccc(Cl)c5)=O,0.0
22052,CO-ADD:0226962,8.32,c12n(c(nn1)SCC(=O)Nc(ccc(c3F)C)c3)c(c4C(=O)N2CC5CCCO5)ccs4,0.0
22053,CO-ADD:0220681,8.32,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3Br)nc(Nc(cc4)ccc4C)n1,0.0
22054,CO-ADD:0219682,8.32,C(CCC(OC)=O)(=O)Nc1cccc(Br)c1,0.0
22055,CO-ADD:0222523,8.32,c1(\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
22056,CO-ADD:0222285,8.32,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(CNC(=O)c2ccccc2Br)=O)C(C)(C)C,0.0
22057,CO-ADD:0222649,8.32,C(=O)(Nc(cc1)ccc1C(C)C)c2ccco2,0.0
22058,CO-ADD:0219266,8.32,C(=O)(N\N=C\c(cc1)ccc1OC)c2ccc(cc2)OCCCCCCC,0.0
22059,CO-ADD:0218910,8.32,c1(c2c(cccc2)ccc1OC(=O)c3ccc(cc3)Cl)\C=N\c4ccccc4I,0.0
22060,CO-ADD:0219731,8.32,C(=O)(N\N=C\c1cc(Br)ccc1OCCC)c2cccc(I)c2,0.0
22061,CO-ADD:0219554,8.32,N(/NC(CCCCCCC)=O)=C(\CBr)/c1ccc(cc1)Br,0.0
22062,CO-ADD:0219696,8.32,C(=O)(N\N=C(\C)/CC(=O)Nc(cc1)ccc1OCC)C(=O)Nc2cccc(Cl)c2C,0.0
22063,CO-ADD:0220573,8.32,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(CNc3ccccc3C)=O)o1,0.0
22064,CO-ADD:0222381,8.32,c1(oc(c2n1)cccc2)c3cc(ccc3O)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
22065,CO-ADD:0225542,8.32,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc(cccc4C(OCC)=O)c4)c2,0.0
22066,CO-ADD:0236193,8.32,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
22067,CO-ADD:0236545,8.32,c1(C#N)c(c2ccccc2)cc(nc1SCC(OCc3ccccc3)=O)c4ccccc4Cl,0.0
22068,CO-ADD:0227946,8.32,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c(cc4)ccc4Cl,0.0
22069,CO-ADD:0236437,8.32,N(C(CSc1ccccn1)=O)c(cc2)c(OC)cc2c(cc3)cc(c3NC(CSc4ccccn4)=O)OC,0.0
22070,CO-ADD:0227224,8.31,c1(cc(Cl)ccc1NC(=O)c(cc2)ccc2C(=O)Nc3ccc(cc3C(c4ccccc4)=O)Cl)C(c5ccccc5)=O,0.0
22071,CO-ADD:0221697,8.31,C(=O)(Nc1ccc(c(OC)c1)OC)NC(c2ccccc2)c3ccccc3,0.0
22072,CO-ADD:0221552,8.31,N1(c2ccccn2)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
22073,CO-ADD:0221618,8.31,C(\C(\C)=N\NC(CCCC)=O)C(NCC=C)=O,0.0
22074,CO-ADD:0221412,8.31,N1(NC(=O)\C=C\c2ccccc2)C(=O)c(c3C1=O)cccc3,0.0
22075,CO-ADD:0221542,8.31,N1(c(cc(cc2N3C(=O)c4c(cc(cc4)Br)C3=O)C(F)(F)F)c2Cl)C(=O)c5c(cc(cc5)Br)C1=O,0.0
22076,CO-ADD:0221226,8.31,N1(CC(OCC)=O)C(=O)c2c(cccc2)C1=O,0.0
22077,CO-ADD:0229421,8.31,N1(c2ccccc2)N=C(C(C(CC(N3c4ccc(cc4)OC)=O)C3=O)C1=O)C,0.0
22078,CO-ADD:0231856,8.31,C1(c(cccc2C)c2NC1=O)(C3=C(C)N(N(c4ccccc4)C3=O)C)C5=C(C)N(N(c6ccccc6)C5=O)C,0.0
22079,CO-ADD:0227738,8.31,C(=O)(Nc(cc1)ccc1C)C2CC=CCC2C(O)=O,0.0
22080,CO-ADD:0229297,8.31,C(OCCCCCCC)(NCCCCNC(OCCCCCCC)=O)=O,0.0
22081,CO-ADD:0229415,8.31,N1(C)c2c(C(=O)C1=O)cc(Br)cc2C,0.0
22082,CO-ADD:0229654,8.31,c1(\C=N\NC(COc(cc2)ccc2C(C)C)=O)cc(Br)ccc1OCC,0.0
22083,CO-ADD:0236152,8.31,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
22084,CO-ADD:0236313,8.31,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCN3c4ccc(c5c4)OCO5)C1=O,0.0
22085,CO-ADD:0233476,8.31,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(COc3ccc(cc3Cl)Cl)=O,0.0
22086,CO-ADD:0236298,8.31,c1(Cl)cc(Cl)ccc1\C=N\NC(CCCNc(cc2)ccc2C)=O,0.0
22087,CO-ADD:0231592,8.31,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\c(cc3)ccc3C,0.0
22088,CO-ADD:0234501,8.31,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccccc5C(O)=O,0.0
22089,CO-ADD:0237045,8.31,CCc1nc2ccccc2n1CC(O)COc3cc(C)ccc3Cl,0.0
22090,CO-ADD:0237072,8.31,CNc1snc(C)c1C(=O)NCCOc2ccc(OC)cc2,0.0
22091,CO-ADD:0237073,8.31,Cc1nnc(NCc2cccc(Cl)c2)c3ccccc13,0.0
22092,CO-ADD:0237139,8.31,Cn1ncc2c(nc(NCCc3c[nH]c4ccccc34)nc12)N1CCOCC1,0.0
22093,CO-ADD:0237223,8.31,Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)C1CCN(CC1)C(=O)OCc1ccccc1,0.0
22094,CO-ADD:0237225,8.31,O=C(N1CCN(CC2=CC=C(NS(=O)(C3=CC=C(OC)C=C3)=O)C=C2)CC1)C4=CC(C#N)=CC=C4,0.0
22095,CO-ADD:0234539,8.31,C(=O)(Nc(ccc(c12)cccc1)c2)N3CCCCC3,0.0
22096,CO-ADD:0236816,8.31,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
22097,CO-ADD:0234467,8.31,C1([N+](=O)[O-])\C(\c(c2C1=O)cccc2)=N/c3ccc(cc3C)C,0.0
22098,CO-ADD:0233486,8.31,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cccc4OC(=O)c5cccc(Br)c5)c4,0.0
22099,CO-ADD:0233444,8.31,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(COc3c(C)cccc3C)=O,0.0
22100,CO-ADD:0234245,8.3,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c3ccccc3Br,0.0
22101,CO-ADD:0229765,8.3,[N+](=O)([O-])c(cc(Sc(cc1)ccc1Cl)cc2NC(Cc(cc3)ccc3F)=O)c2,0.0
22102,CO-ADD:0233183,8.3,n1(c2c(nc1SCC(N)=O)cccc2)C(=O)OCC(C)C,0.0
22103,CO-ADD:0226172,8.3,S(=O)(=O)(N(Cc1ccccc1)c(cc2)ccc2C(C)C)c3cccn(c(nn4)C)c34,0.0
22104,CO-ADD:0225404,8.3,c12n(ccn(c(nn3)CCC(NCCCc4ccccc4)=O)c13)nc(c5ccc(c(C)c5)C)c2,0.0
22105,CO-ADD:0221087,8.3,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)SC(N\N=C\c(cccc3[N+](=O)[O-])c3)=N,0.0
22106,CO-ADD:0221755,8.3,C(NCCSc1ccccc1C)(=O)Nc(cc2)ccc2Br,0.0
22107,CO-ADD:0221788,8.3,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NCC(=O)N\N=C(/C)\C(C)CC,0.0
22108,CO-ADD:0220131,8.3,N(C(CCCCCCC(=O)Nc1ccccc1Br)=O)c2ccccc2Br,0.0
22109,CO-ADD:0219198,8.3,C(=O)(N\N=C\c1cccc(Br)c1)c2ccc(cc2)NC(CCCCCCC)=O,0.0
22110,CO-ADD:0220098,8.3,C(/c1c(N2)cccc1)(=N\NC(=O)c3ccc(cc3)OC)\C2=O,0.0
22111,CO-ADD:0219199,8.3,[N+](=O)([O-])c1ccccc1NC(=O)CN2CCCCC2,0.0
22112,CO-ADD:0219983,8.3,C(COc(cc1)ccc1Cl)(=O)OCC(=O)c2ccc(cc2)Br,0.0
22113,CO-ADD:0222583,8.3,C1(=NCCc(cccc2)c12)C(c3ccccc3)C(C(OC)=O)CC(=O)c4ccc(cc4)C,0.0
22114,CO-ADD:0219189,8.3,N(=C\c(ccc(c1OC)OC)c1)/NC(CCC(=O)Nc(cc2)ccc2I)=O,0.0
22115,CO-ADD:0226785,8.3,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4ccccc4OC)c(nn1)C(C)C,0.0
22116,CO-ADD:0226793,8.3,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4ccccc4OCC)c(nn1)C(C)C,0.0
22117,CO-ADD:0226801,8.3,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4c(C)cc(cc4C)C)c(nn1)C(C)C,0.0
22118,CO-ADD:0226001,8.3,C1(=N2)N(C=CN=C1N3CCCC3)C(N2CC(=O)Nc4cc(OC)cc(OC)c4)=O,0.0
22119,CO-ADD:0231451,8.3,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(=O)c(ccc(c34)OCCO3)c4,0.0
22120,CO-ADD:0236555,8.3,C1(C#N)(C#N)[C@@H](c2ccc(cc2)F)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(C)=O,0.0
22121,CO-ADD:0233019,8.3,C(=O)(c(cc1)ccc1C(C)(C)C)Nc(ccc(c2Cl)OC)c2,0.0
22122,CO-ADD:0230962,8.3,n(c(OC)nc(n1)OC)c1NCCN(CC2)CCO2,0.0
22123,CO-ADD:0231531,8.3,C(=O)(Oc(cc1)ccc1\C=N\NC(c(cc2)ccn2)=O)c3cccc(F)c3,0.0
22124,CO-ADD:0221652,8.3,n1c(N2CCCC2)nc(nc1N(CC3)CCO3)N\N=C\c4ccccc4O,0.0
22125,CO-ADD:0221307,8.3,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)C(=O)Nc2c(C)cccc2C,0.0
22126,CO-ADD:0221319,8.3,n1(c2ccccc2OC)cc(nn1)CO,0.0
22127,CO-ADD:0219047,8.3,c1(C)cc(OCCNC(CCc2ccccc2)=O)ccc1C,0.0
22128,CO-ADD:0221035,8.3,C(F)(F)(C(F)(F)C(=O)NC(Cc(c1c([nH]2)cccc1)c2)C(=O)[O-])C(F)(F)C(=O)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)[O-].C(=O)O,0.0
22129,CO-ADD:0221050,8.3,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2Br,0.0
22130,CO-ADD:0222772,8.3,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c3ccco3,0.0
22131,CO-ADD:0229426,8.3,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c(cc2OC)cc(c2O)I)c3ccccc3Br,0.0
22132,CO-ADD:0229409,8.3,C1(N)=C(NCCN2CCCCC2)c3c(cccc3)OC1=O,0.0
22133,CO-ADD:0231831,8.3,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c4cc(Br)cc(OC)c4O,0.0
22134,CO-ADD:0229346,8.3,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc(c2OC)O)c2)c3cccc(Cl)c3Cl,0.0
22135,CO-ADD:0229857,8.3,N1(c2ccc(cc2)Sc(cc3)ccc3[N+](=O)[O-])C(=O)c(c4C1=O)ccc(c4)C(=O)NC(C)(C)C,0.0
22136,CO-ADD:0234246,8.3,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccco2)=O)c3ccccc3Br,0.0
22137,CO-ADD:0236391,8.3,c(c1)(cc(cc1C(C)(C)C)C(C)(C)C)C(=O)NCC(=O)OCC(=O)c2ccc(cc2)Br,0.0
22138,CO-ADD:0234214,8.29,c1(c(Br)cc(cc1\C=N\NC(COc2ccccc2C#N)=O)Br)OC(=O)c3cccc(C)c3,0.0
22139,CO-ADD:0236369,8.29,C1(O)(C(F)F)CC(=O)c2c(ccc(C)c2)O1,0.0
22140,CO-ADD:0236409,8.29,N1(c2ccc(cc2)O)C(=O)c3c(cc(c(Cl)c3)Cl)C1=O,0.0
22141,CO-ADD:0234224,8.29,n1c2c(oc1c3cccc(c3)\N=C\c(cccc4[N+](=O)[O-])c4O)cccc2C,0.0
22142,CO-ADD:0237145,8.29,CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc2ccc3nc(C)sc3c2,0.0
22143,CO-ADD:0237240,8.29,Cc1cc(C)c2cc([nH]c2c1)C(=O)NC3CCCCCCC3,0.0
22144,CO-ADD:0237080,8.29,CC1CCCCN1C(=O)NCCc2coc(n2)c3ccc(F)cc3,0.0
22145,CO-ADD:0237412,8.29,COc1cccc(NC(=O)c2c3CCCc3sc2NC(=O)c4cccnc4)c1,0.0
22146,CO-ADD:0237202,8.29,CCCCS(=O)(=O)Nc1ccc2cnn(C)c2c1,0.0
22147,CO-ADD:0237390,8.29,OCCc1ccc(Nc2nccc(n2)c3nnc4ccccn34)cc1,0.0
22148,CO-ADD:0229033,8.29,c(cc(cc1C(N)=O)[N+](=O)[O-])(c1N)[N+](=O)[O-],0.0
22149,CO-ADD:0231634,8.29,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c(ccc(c4Cl)OC)c4,0.0
22150,CO-ADD:0231606,8.29,[N+](=O)([O-])c1cc2c(cc1\C=N\c3cc(C)ccc3O)OCO2,0.0
22151,CO-ADD:0231587,8.29,N1(c2ccccc2OCC)C(=O)C3C(C4C(C5)C5C3C=C4)C1=O,0.0
22152,CO-ADD:0234390,8.29,[nH](c(cccc1)c1c2\C=C\C=N\NC(N)=S)c2,0.0
22153,CO-ADD:0221424,8.29,N(=C(/CCCC)\c1ccccc1)/NC(=O)c2cccc(I)c2,0.0
22154,CO-ADD:0221615,8.29,C(=O)(N\N=C\c(cc1)ccc1N(C)C)c(cc2)ccc2N(C)C,0.0
22155,CO-ADD:0221099,8.29,c1(c(C)n[nH]c1O)C(C(C#N)C#N)c2ccccc2C,0.0
22156,CO-ADD:0221266,8.29,N1(c2sccn2)C(=O)c(c3C1=O)ccc(C(OC)=O)c3,0.0
22157,CO-ADD:0226293,8.29,S(=O)(=O)(N(Cc(cc1)ccc1F)c2cc(F)cc(F)c2)c(ccc3n4c(C)nn3)c4,0.0
22158,CO-ADD:0226389,8.29,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5ccccc5Br)=O,0.0
22160,CO-ADD:0222475,8.29,N1\C(=N\N=C\c(ccc(c2Br)OC)c2)\S\C(=C/c3cc(Br)ccc3Br)\C1=O,0.0
22161,CO-ADD:0221892,8.29,C(C(c(cc1)ccc1C(C)C)Nc(cc2)ccc2I)C(=O)c3ccc(cc3)C,0.0
22162,CO-ADD:0220244,8.29,c1(Br)c(O)c(\C=N\NC(COc(cccc2[N+](=O)[O-])c2)=O)c(c(Br)c1O)C,0.0
22163,CO-ADD:0220254,8.29,C(CNc(cc1)ccc1C)(=O)N\N=C\c(ccc(c2I)O)c2,0.0
22164,CO-ADD:0222161,8.29,n1c(ccc(c2)\N=C\c(cc(Br)cc3Br)c3O)c2oc1c(cc4)ccc4C(C)(C)C,0.0
22165,CO-ADD:0220770,8.29,c(\C=N\NC(CNc1ccccc1C)=O)(cc(OCO2)c2c3)c3Cl,0.0
22166,CO-ADD:0220443,8.29,c1(\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4c(cccc4)cc(cccc5)c15,0.0
22167,CO-ADD:0222005,8.29,S(=O)(=O)(N1CCCCC1)c(ccc(c2C(=O)Nc(cc3)ccc3Cl)Cl)c2,0.0
22168,CO-ADD:0226009,8.29,C1(=N2)N(C=CN=C1N3CCCC(C)C3)C(N2CC(=O)Nc4c(C)cc(cc4C)C)=O,0.0
22169,CO-ADD:0225634,8.29,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4c(F)ccc(F)c4)=O,0.0
22170,CO-ADD:0226578,8.29,c12n(C=CN(c3ccc(c(C)c3)C)C1=O)c(nn2)SCC#N,0.0
22171,CO-ADD:0226850,8.29,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4ccc(cc4F)Br)c(nn1)C(C)C,0.0
22172,CO-ADD:0225994,8.29,n12c(ccc(c3ccc(c(C)c3)C)n1)nnc2CCC(=O)NC(C)c4ccc(c(OC)c4)OC,0.0
22173,CO-ADD:0233267,8.29,c1(ccccc1F)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Br,0.0
22174,CO-ADD:0234171,8.29,n1c2c(oc1c3cccc(c3)\N=C\c(cc(Cl)cc4Br)c4O)cccc2C,0.0
22175,CO-ADD:0234193,8.29,C(=N\NC(COc(cc1)c(Br)cc1[N+](=O)[O-])=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
22176,CO-ADD:0236247,8.29,n1c(c2ccccc2)ccc(C#N)c1SCc3ccccc3Cl,0.0
22177,CO-ADD:0221107,8.29,c1(s2)c(c(cc(C)n1)C)c(c2C#N)N,0.0
22178,CO-ADD:0221342,8.29,S(=O)(=O)(c(cc1)ccc1c(cc2)ccc2[N+](=O)[O-])N(CCC#N)C3CCCCC3,0.0
22179,CO-ADD:0221571,8.29,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c4ccc(cc4)F,0.0
22180,CO-ADD:0221513,8.29,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3O.[Na+],0.0
22181,CO-ADD:0221052,8.29,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2F,0.0
22182,CO-ADD:0221745,8.29,C(=O)(Nc(ccc(c1Cl)Cl)c1)Nc2c(Cl)cc(c(F)c2)F,0.0
22183,CO-ADD:0229230,8.29,C(C(=O)c1ccc(cc1)Cl)(C2c(cc3)ccc3N(C)C)=C(O)C(N2CCN(CC)CC)=O,0.0
22184,CO-ADD:0229879,8.29,c1(cnn(C)c1C(=O)Nc2cc(C)ccc2OC)[N+](=O)[O-],0.0
22185,CO-ADD:0227492,8.29,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)ccc2OC(c3ccccc3)=O)=C/c4cccs4,0.0
22186,CO-ADD:0231286,8.28,N(=C\c(cc1)ccc1OCc2ccccc2)/Nc3ccccc3,0.0
22187,CO-ADD:0227192,8.28,C(=O)(Nc(cc1)ccc1C)\N=C\C(=O)Nc(cc2)ccc2C,0.0
22188,CO-ADD:0231221,8.28,C(=O)(Oc(cc1)ccc1\C=N\c(ccc(c2C)C)c2)c3cccc(cccc4)c34,0.0
22189,CO-ADD:0236143,8.28,C(C#N)(C1c2ccc(cc2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
22190,CO-ADD:0234342,8.28,C1(NC(=O)c2cc(OC)c(cc2[N+](=O)[O-])OC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
22191,CO-ADD:0229762,8.28,c1(C2c(ccc(c34)OCO3)c4)c(CCN2C(c5ccccc5)=O)c6c(cccc6)[nH]1,0.0
22192,CO-ADD:0229755,8.28,N1(c2sccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cccc4[N+](=O)[O-])c4,0.0
22193,CO-ADD:0234296,8.28,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c3ccccc3I,0.0
22194,CO-ADD:0232917,8.28,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)Nc3cccc(Br)c3,0.0
22195,CO-ADD:0232894,8.28,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c3ccc(cc3Cl)Cl,0.0
22196,CO-ADD:0234816,8.28,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(COc3c(C)cccc3C)=O,0.0
22197,CO-ADD:0229459,8.28,C(/C(C)=NN1c2ccc(cc2)Cl)(=C/c3ccccc3[N+](=O)[O-])\C1=O,0.0
22198,CO-ADD:0232837,8.28,N1(CNc2ccccc2C(OC)=O)C(=S)OC(c3ccccc3Br)=N1,0.0
22199,CO-ADD:0237345,8.28,Nc1ncnc2c1c(Cc3cccc4ccccc34)nn2CC5CCNCC5,0.0
22200,CO-ADD:0234315,8.28,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(COc3ccccc3C)=O)[N+](=O)[O-],0.0
22201,CO-ADD:0234118,8.28,C(=N\N=C\c(cc1)ccc1OC)(/c2c(N3)cccc2)\C3=O,0.0
22202,CO-ADD:0234106,8.28,N(\C(=C\c(cc1)ccc1N(C)c2ccccc2)\C(O3)=O)=C3c4ccccc4,0.0
22203,CO-ADD:0233374,8.28,C(=C/c(cc1)ccc1OCCCCCCCCCC)(/C(=O)NC(N2)=O)\C2=O,0.0
22204,CO-ADD:0233346,8.28,C(c1ccccc1)(c2ccccc2)CC(NCCc(ccc(c3OC)OC)c3)=O,0.0
22205,CO-ADD:0233343,8.28,c1(OC)c(ccc(OC)c1)CCC(C)NCCC(c2ccccc2)c3ccccc3.Cl,0.0
22206,CO-ADD:0226397,8.28,c12n(c3c(cccc3)nc1SCC(=O)Nc4c(C)ccc(Cl)c4)c(nn2)CC,0.0
22207,CO-ADD:0225918,8.28,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc(cc4)ccc4OCC)C2=O,0.0
22208,CO-ADD:0225162,8.28,C1(=N2)N(C=CN(c3ccc(cc3)Br)C1=O)C(N2CC(=O)Nc4cccc(OC)c4)=O,0.0
22209,CO-ADD:0225186,8.28,N1(C(C=CC(C(=O)NCc2ccccc2)=C1)=NN3CC(=O)N(CC4)CCN4c5ccccc5F)C3=O,0.0
22210,CO-ADD:0222832,8.28,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc(cc2)ccc2C(C)C)Cl,0.0
22211,CO-ADD:0222651,8.28,N1(C(C)=O)C2(CCCC2)OC(c3ccc(cc3)I)=N1,0.0
22212,CO-ADD:0222105,8.28,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(=O)Nc2cccc(C)c2,0.0
22213,CO-ADD:0222013,8.28,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Br)Nc(cc3)ccc3NC(c4ccccc4)=O,0.0
22214,CO-ADD:0222624,8.28,C(COc1ccccc1)(=O)NCc(cc2)ccc2Cl,0.0
22215,CO-ADD:0222265,8.27,c1(cc(ccc1N(C)C2CCCCC2)\C=N\NC(COc(cc3)ccc3CC)=O)[N+](=O)[O-],0.0
22216,CO-ADD:0222085,8.27,C1(C(=O)Nc2ccccc2OC)C(C1(Cl)Cl)c3ccccc3,0.0
22217,CO-ADD:0222046,8.27,C(c1ccccc1)(NC(CCCc2ccccc2)=O)C(O)=O,0.0
22218,CO-ADD:0221915,8.27,c1(c(Cl)cc(cc1Cl)Cl)NNC(=O)c2cccc(c2)NC(COc3ccc(cc3C(C)(C)CC)C(C)(C)CC)=O,0.0
22219,CO-ADD:0222079,8.27,C1(CC1)(C2C(C3C(=O)Nc4cccc(Cl)c4)C(O)=O)C3C=C2,0.0
22220,CO-ADD:0222072,8.27,C1(C(c2ccccc2)C=CC(c3ccccc3)C1C(O)=O)C(=O)Nc4cccc(C)c4C,0.0
22221,CO-ADD:0221866,8.27,C12(\C=N/c(cc3)ccc3C)c4c(cccc4)C(C(C1C5=O)C(N5c6ccccc6)=O)c(cccc7)c27,0.0
22222,CO-ADD:0225963,8.27,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(Cc(cc4)ccc4Cl)C2=O,0.0
22223,CO-ADD:0225995,8.27,n12c(ccc(c3ccc(c(C)c3)C)n1)nnc2CCC(NCCCN(CC)c4ccccc4)=O,0.0
22224,CO-ADD:0226535,8.27,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)c4ccc(cc4C)C,0.0
22225,CO-ADD:0226556,8.27,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)SCC(=O)c4c5c([nH]c4C)cccc5,0.0
22226,CO-ADD:0236243,8.27,c12c(nc(c3ccccc3)cc1c4ccc(cc4)OC)sc(c(cc5)ccc5c6ccccc6)c2N,0.0
22227,CO-ADD:0236851,8.27,c12c(cnn1c3ccccc3)C(=O)OC(c4ccccc4F)=N2,0.0
22228,CO-ADD:0236641,8.27,c1(C#N)c(SCC(OCc2ccccc2)=O)nsc1SCC(OCc3ccccc3)=O,0.0
22229,CO-ADD:0230944,8.27,c1(c2)c(cc(OC)c2NC(=O)c(cc3)ccc3C(C)(C)C)c4c(cccc4)o1,0.0
22230,CO-ADD:0221766,8.27,C(NCCOc1ccccc1Cl)(=O)c2ccc(cc2)I,0.0
22231,CO-ADD:0221771,8.27,c1(OCCNC(=O)c2ccc(cc2)I)cc(C)ccc1C(C)C,0.0
22232,CO-ADD:0221105,8.27,c1(SCC(=O)c2ccc(cc2)C)nc(C)cc(C)c1C#N,0.0
22233,CO-ADD:0219049,8.27,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c1Cl)Cl)c1)C(=O)Nc(cc2)ccc2C,0.0
22234,CO-ADD:0222195,8.27,c1(cc(Br)cc(\C=N\c(ccc(c2o3)nc3c4cccc(Br)c4)c2)c1O)[N+](=O)[O-],0.0
22235,CO-ADD:0219015,8.27,N1(c2ccccc2c3ccccc3N4C(=O)c(c5C4=O)cccc5)C(=O)c(c6C1=O)cccc6,0.0
22236,CO-ADD:0231343,8.27,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
22237,CO-ADD:0231323,8.27,S(c1ccccc1)(=O)(=O)Oc2cc(ccc2\C=N/c(cc3)ccc3C)OS(c4ccccc4)(=O)=O,0.0
22238,CO-ADD:0229890,8.27,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cccc3OC(=O)c(ccc(c45)OCO4)c5)c3,0.0
22239,CO-ADD:0229854,8.27,C1(O)(CC(=O)c2cccs2)c3c(NC1=O)ccc(Br)c3,0.0
22240,CO-ADD:0229899,8.27,C(CN1CN2CN3C1)(C3)(C2)\C(\c4ccc(cc4)C)=N/NC(=O)C(NC(c5ccccc5)=O)C(c6c(cccc6)C(N7)=O)=N7,0.0
22241,CO-ADD:0229550,8.27,N1(c2cccc(Oc(ccc(c3C4=O)C(O4)=O)c3)c2)C(=O)c(c(c5C(c6ccccc6)=O)C1=O)cc(c5C(N7c8cccc(Oc(ccc(c9C%10=O)C(O%10)=O)c9)c8)=O)C7=O,0.0
22242,CO-ADD:0235974,8.27,c1(c2cccn2c(cc3)ccc3[N+](=O)[O-])[nH]c(c(c4ccccc4)n1)c5ccccc5,0.0
22243,CO-ADD:0235966,8.27,N1(NC(=O)c2ccc(cc2Cl)Cl)C(=O)C3C(C(CC34)C=C4)C1=O,0.0
22244,CO-ADD:0229937,8.27,N1(c2cccc(c2)C(O)=O)C(=O)C(CC1=O)SC(N\N=C\c(cc3)ccc3N(C)C)=N,0.0
22245,CO-ADD:0229907,8.27,C(CCCCC)(=O)Nc(ccc(c12)cccc1)c2,0.0
22246,CO-ADD:0233705,8.27,c1([nH]nc(C(CC2)CCN2C(=O)[C@H](NC(C)=O)CC(N)=O)c1)C(F)(F)F,0.0
22247,CO-ADD:0234926,8.26,c1(OCC(=O)N\N=C\c2ccco2)c(Br)cc(cc1Br)OC,0.0
22248,CO-ADD:0237258,8.26,COc1ccc(cc1OC)c2nn(C(C)C)c3ncnc(N)c23,0.0
22249,CO-ADD:0236549,8.26,c1(C#N)c(c2ccccc2)cc(nc1SCC(OC)=O)c3ccccc3Cl,0.0
22250,CO-ADD:0233106,8.26,C(c1ccccc1)(Nc2ccccc2)C3CCCCC3=O,0.0
22251,CO-ADD:0233090,8.26,c1(C(=O)\C=C\c2ccccc2)c(OC)cc(c3c1)cccc3,0.0
22252,CO-ADD:0230979,8.26,N1(C(OC)=O)CC(N(OCc2ccccc2)C1c3ccc(cc3Cl)Cl)=O,0.0
22253,CO-ADD:0234821,8.26,c1(c(Br)cc(cc1\C=N\NC(CNc(cc2)ccc2C)=O)Br)OC(=O)c3cccc(C)c3,0.0
22254,CO-ADD:0234317,8.26,N(=C(/C)\c(ccc(c12)OCCO1)c2)/NC(COc3c(C)cccc3C)=O,0.0
22255,CO-ADD:0236033,8.26,c1(ccccc1NC(CSCC(O)=O)=O)C(OC)=O,0.0
22256,CO-ADD:0233564,8.26,n1c2c(oc1c3cccc(c3)\N=C\c4cc(Br)ccc4O)cccc2C,0.0
22257,CO-ADD:0234281,8.26,C(=N/NC(CNC(=O)c1cccc(F)c1)=O)(/c2c(N3C)cccc2)\C3=O,0.0
22258,CO-ADD:0233191,8.26,c1(c2ccccc2)nonc1N,0.0
22259,CO-ADD:0233624,8.26,C(C1CCCCC1)(=O)Nc(cc2)ccc2OC,0.0
22260,CO-ADD:0225226,8.26,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc(cc4)ccc4OCC)C2=O,0.0
22261,CO-ADD:0226227,8.26,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(cc2)OC)c(ccc3n4c(C)nn3)c4,0.0
22262,CO-ADD:0226291,8.26,S(=O)(=O)(N(Cc1ccccc1F)c2cc(F)cc(F)c2)c(ccc3n4c(C)nn3)c4,0.0
22263,CO-ADD:0226296,8.26,S(=O)(=O)(N(Cc1cccc(OC)c1)c2ccc(cc2)Cl)c(ccc(n3c4)nn4)c3,0.0
22264,CO-ADD:0225203,8.26,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)NCC4CCCO4,0.0
22265,CO-ADD:0222380,8.26,c1(Nc(cc2)ccc2[N+](=O)[O-])nc(N\N=C/c(cc3)ccc3Cl)nc(NCc4ccccc4)n1,0.0
22266,CO-ADD:0222213,8.26,c1(O)c(OCC)cc(cc1Br)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
22267,CO-ADD:0222759,8.26,s1c(N)nnc1CC(NN)=O,0.0
22268,CO-ADD:0220948,8.26,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c34)OCO3)c4)nc(Nc5cc(C)ccc5C)n1,0.0
22269,CO-ADD:0220904,8.26,c1(c(cccc1)c(c23)cccc2)C3C(=O)N\N=C\c4ccc(cc4OC)O,0.0
22270,CO-ADD:0220869,8.26,c1(ccccc1NC(c2ccccc2)=O)C(OC\C=C\c3ccccc3)=O,0.0
22271,CO-ADD:0219553,8.25,[N+](=O)([O-])c1ccc(cc1)\C=N/NC(CCCCCCC)=O,0.0
22272,CO-ADD:0226572,8.25,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)c4c5c([nH]c4C)cccc5,0.0
22273,CO-ADD:0225444,8.25,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(ccc(c56)OCCO5)c6)=O,0.0
22274,CO-ADD:0226820,8.25,C1(=N2)N(C=Cn(nc(c3ccc(cc3)C)c4)c14)C(N2CC(=O)Nc(ccc(c56)OCO5)c6)=O,0.0
22275,CO-ADD:0226591,8.25,c1(nnc2SC(C)C(=O)Nc3cc(OC)cc(OC)c3)n2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
22276,CO-ADD:0234545,8.25,c1([N+](=O)[O-])nn(cc1C(N)=O)N,0.0
22277,CO-ADD:0231029,8.25,C(=O)(Nc(cc1)ccc1NC(C)=O)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
22278,CO-ADD:0231111,8.25,C(CCC(=O)N\N=C\c(cc1)ccc1I)(=O)Nc2cccc(Br)c2,0.0
22279,CO-ADD:0236811,8.25,C1(C(OCC)=O)=C(C)NC(NC1c2c(ccc(cccc3)c23)OCC(OC)=O)=S,0.0
22280,CO-ADD:0236763,8.25,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(ccc(c2Cl)Cl)c2)c3c(OC)ccc(OC)c3,0.0
22281,CO-ADD:0236444,8.25,[nH]1c(C)nnc1SCC(=O)Nc2ccccn2,0.0
22282,CO-ADD:0221647,8.25,C(OCc1ccccc1)(=O)Nc(cc2)ccc2I,0.0
22283,CO-ADD:0221702,8.25,N1(CNc2ccc(cc2C)I)C(=O)\C(\SC1=O)=C\c(ccc(c34)OCO3)c4,0.0
22284,CO-ADD:0219076,8.25,C(=O)(N\N=C\C=C\c1ccccc1)c2ccc(cc2)OCCCCCCCC,0.0
22285,CO-ADD:0221416,8.25,N(=C(/C)\c1cccc(N)c1)/NC(=O)c2ccc(cc2)Br,0.0
22286,CO-ADD:0221769,8.25,C(NCCOCCCCCCCC)(=O)c1ccc(cc1)I,0.0
22287,CO-ADD:0221786,8.25,c1(ccccc1Br)C(=O)NCC(=O)N\N=C(\C)/C(C)C,0.0
22288,CO-ADD:0229138,8.25,C(=O)(c1ccccc1C)Nc(cc2)ccc2C(=O)N\N=C\c(cc3)ccc3OCC,0.0
22289,CO-ADD:0231279,8.25,C(=O)(Nc(ccc(c1C)C)c1)c2ccccc2Cl,0.0
22290,CO-ADD:0231230,8.25,c1(cc(ccc1N(C)C)C=O)[N+](=O)[O-],0.0
22291,CO-ADD:0227599,8.25,C(=O)(NCC(=O)N\N=C/c1ccc(cc1O)C)c2ccc(c(OC)c2)OC,0.0
22292,CO-ADD:0229498,8.25,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3Cl,0.0
22293,CO-ADD:0229110,8.25,c1(cc(OC)cc(\C=N\NC(=O)c(cccc2NC(=O)c3ccc(cc3)C)c2)c1O)[N+](=O)[O-],0.0
22294,CO-ADD:0234452,8.25,C(=N\c(cc1)ccc1N(C)C(C)=O)(/C2=O)\c3c(N2)cc(Br)c(C)c3,0.0
22295,CO-ADD:0234320,8.25,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(ccc3c4ccc(cc4)Br)o3,0.0
22296,CO-ADD:0238639,8.25,NC1=NC(NC2=CC=CC=C2)=N[Ir](N1)[P-]34C[N@]5C[N@@](C4)CN(C5)C3.CC6=C(C7=CC=C(C=C7)C8=CC=CC=C8)C(C)=C(C)C6C.[Cl-],0.0
22297,CO-ADD:0233541,8.25,C(=O)(Oc1cccc(c1)\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c3ccccc3Br,0.0
22298,CO-ADD:0230952,8.25,C(C(=O)c1ccc(cc1)Cl)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2c(cc4)ccc4S(N)(=O)=O)=O,0.0
22299,CO-ADD:0233010,8.25,S1(=O)(=O)c2c(C(N(C)\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])OC)=N1)ccc(c2)[N+](=O)[O-],0.0
22300,CO-ADD:0230996,8.25,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2ccccc2\C=N/NC(=O)C(=O)N\N=C\c3ccccc3OC(=O)c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4)c1,0.0
22301,CO-ADD:0234409,8.25,C(CN(CN1C2)CN23)(C3)(C1)\C(\c4ccc(cc4)C)=N/NC(Cc5ccccc5)=O,0.0
22302,CO-ADD:0232931,8.25,N1(CNc2ccccc2C)C(=S)OC(c3ccccc3Br)=N1,0.0
22303,CO-ADD:0232926,8.25,C(C1)(CN2CN1CN3C2)(C3)C(=O)c4ccc(c(Cl)c4)Cl,0.0
22304,CO-ADD:0233162,8.25,c1(scc(c2ccc(cc2)C)n1)NC(c3ccccc3)=O,0.0
22305,CO-ADD:0229884,8.25,c(C(=O)c1c(C2=O)cccc1)(c3c4ccc(cc4)CC)c2c(n3c5ccccc5)c6ccccc6,0.0
22306,CO-ADD:0234415,8.25,[C@]12(C)[C@@](O1)(C)C(CC3[C@]2(C)CCCC3(C)C)=O,0.0
22307,CO-ADD:0236839,8.25,c1(OCC(=O)Nc(cc2)ccc2N(CC)CC)c(C)cc(cc1C)C,0.0
22308,CO-ADD:0236097,8.25,S(=O)(=O)(NCc1ccco1)c2c(C(C)C)cc(cc2C(C)C)C(C)C,0.0
22309,CO-ADD:0234076,8.25,C(O)(=O)c1ccccc1CC(Br)C(O)=O,0.0
22310,CO-ADD:0226379,8.25,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(=O)N4CCCC4)=O,0.0
22311,CO-ADD:0226140,8.25,S(=O)(=O)(N(Cc1cccc(C)c1)c(cc2)ccc2C(C)C)c3cccn(c(nn4)CC)c34,0.0
22312,CO-ADD:0226148,8.25,S(=O)(=O)(N(Cc1cccc(C)c1)c2cc(C)cc(C)c2)c3cccn(c(nn4)C)c34,0.0
22313,CO-ADD:0226289,8.25,S(=O)(=O)(N(Cc(cc1F)cc(c1)F)c2cc(F)cc(F)c2)c(ccc(n3c4)nn4)c3,0.0
22314,CO-ADD:0220003,8.24,c1(O)c(cc(cc1C(C)(C)C)\C=N\c(ccc(c23)cccc2)c3)C(C)(C)C,0.0
22315,CO-ADD:0220220,8.24,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNc(cc2Br)cc(c2C)Br)=O,0.0
22316,CO-ADD:0220044,8.24,[N+](=O)([O-])c(cc1)ccc1C(=O)C(C#N)C(OCC)=O,0.0
22317,CO-ADD:0219445,8.24,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)C(=O)Nc2ccccn2,0.0
22318,CO-ADD:0221163,8.24,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(NCCCCCCNC(=O)CN(c3ccccc3C)S(=O)(=O)c4ccc(cc4)C)=O,0.0
22319,CO-ADD:0219312,8.24,C(N(CC1)CCO1)(N\C(=N\N)\N=C2Nc3cccc(cccc4)c34)=N2,0.0
22320,CO-ADD:0220827,8.24,[N+](=O)([O-])c1cccc(\C=N\Nc(nc(Nc2ccccc2)nc3Nc(cc4)ccc4OC)n3)c1OC,0.0
22321,CO-ADD:0225967,8.24,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4onc(c5ccc(cc5)C)n4)C2=O,0.0
22322,CO-ADD:0226528,8.24,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCc4cc(C)ccc4C,0.0
22323,CO-ADD:0226560,8.24,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)SCc(cc4)ccc4Cl,0.0
22324,CO-ADD:0225637,8.24,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4cccc(Br)c4)=O,0.0
22325,CO-ADD:0225941,8.24,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)NC4CCCC4)C2=O,0.0
22326,CO-ADD:0221394,8.24,C1(C2=O)C(C(C=C3)OC13CNC(OCC(C)C)=O)C(N2c4ccc(cc4)Cl)=O,0.0
22327,CO-ADD:0221569,8.24,C1(C(=O)Nc(cc2)ccc2C(OCC)=O)CC13CCC3,0.0
22328,CO-ADD:0221284,8.24,C1(C)(CC2C)C(C(C2(CO)CO3)C)C3c4c(cccc4)O1,0.0
22329,CO-ADD:0221528,8.24,c1(cc(ccc1C(=O)OCc(cc2)ccc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
22330,CO-ADD:0229596,8.24,c1([N+](=O)[O-])nn(c(C)c1Br)CC(=O)Nc(cc(OC)cc2[N+](=O)[O-])c2,0.0
22331,CO-ADD:0227826,8.24,n1(nnc(C(C)(CC)O)c1C(C)(CC)O)c2nonc2N,0.0
22332,CO-ADD:0231288,8.24,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc(cc2)ccc2Oc(ccc(c3C(O)=O)C(O)=O)c3)c1,0.0
22333,CO-ADD:0229569,8.24,c1(nc(c2cccs2)cc3C(F)(F)F)n3nc(C(=O)NCc4ccco4)n1,0.0
22334,CO-ADD:0229089,8.24,C(=O)(c1ccc(cc1)Cl)Nc(cc2)ccc2C(=O)N\N=C\c3cccc(OC)c3,0.0
22335,CO-ADD:0229715,8.24,C(CNc1cccc(Br)c1)(=O)N\N=C\c(cccn2)c2,0.0
22336,CO-ADD:0234902,8.24,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c3cccc(F)c3,0.0
22337,CO-ADD:0234463,8.24,[N+](=O)([O-])c1ccc(cc1Sc2cccc(cccn3)c23)N(CC4)CCO4,0.0
22338,CO-ADD:0236337,8.24,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3ccco3)C2c4ccccc4,0.0
22339,CO-ADD:0234093,8.24,c1(c(cccc1Cl)Cl)NC(=O)\C=C\C(OCC)=O,0.0
22340,CO-ADD:0234399,8.24,c(c(ccc1)c2O)(c13)c(c(c24)cccc4N5CCCCCC5)OC(CCCCC6)N36,0.0
22341,CO-ADD:0234180,8.24,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)c(c2)cc(cn2)Br)c3ccco3,0.0
22342,CO-ADD:0232958,8.24,n1(C2OC(C(O)C2O)CO)c(N\N=C\c(cc3)ccc3N(C)C)nc(C(NC(N)=N4)=O)c14,0.0
22343,CO-ADD:0236200,8.24,N12C(S\C(=C/c3ccccc3C)\C1=O)=C(C(c4ccccc4C)C(C#N)=C2N)C#N,0.0
22344,CO-ADD:0232874,8.24,c1(NC(=O)Nc2cccc(cccc3)c23)nnc(SC(c4ccccc4)c5ccccc5)s1,0.0
22345,CO-ADD:0232866,8.24,C(=O)(c1ccc(cc1)F)Nc2ccc3c(c(ccc4)CC3)c24,0.0
22346,CO-ADD:0234865,8.24,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)cc(c3OC(=O)c4ccc(cc4)Br)OC,0.0
22347,CO-ADD:0230969,8.24,n(c(OC)nc(n1)OC)c1NCc(cccn2)c2,0.0
22348,CO-ADD:0231094,8.24,C(=O)(Nc1cccc(C)c1)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
22349,CO-ADD:0227868,8.24,c1(\N=C\c2ccccc2)n(c3ccccc3)nc(c4ccccc4)c1c5ccccc5,0.0
22350,CO-ADD:0230910,8.24,c1(N\N=C\c2cc(OCO3)c3cc2[N+](=O)[O-])nncn1N.Cl,0.0
22351,CO-ADD:0226218,8.23,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(cc2)OC)c(ccc(n3c4)nn4)c3,0.0
22352,CO-ADD:0226358,8.23,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)Nc(ccc(c4F)F)c4,0.0
22353,CO-ADD:0226231,8.23,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(cc2)OC)c(ccc3n4c(CC)nn3)c4,0.0
22354,CO-ADD:0226258,8.23,S(=O)(=O)(N(c1cccc(F)c1)Cc2ccccc2F)c(ccc3n4c(C)nn3)c4,0.0
22355,CO-ADD:0226143,8.23,S(=O)(=O)(N(Cc(cc1)ccc1F)c2cccc(Cl)c2)c3cccn(c(nn4)CC)c34,0.0
22356,CO-ADD:0222648,8.23,C(=O)(N\N=C(/C)\CC(=O)Nc1ccc(cc1F)F)c2cccc(cccc3)c23,0.0
22357,CO-ADD:0222302,8.23,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Cl)cc4Cl)c4O)ccc(Cl)c2,0.0
22358,CO-ADD:0222514,8.23,C(=N\NC(CNC(=O)c1ccc(c(OC)c1)OC)=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
22359,CO-ADD:0222241,8.23,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(CNc3cccc(cccc4)c34)=O,0.0
22360,CO-ADD:0220499,8.23,[N+](=O)([O-])c(cc1)ccc1\C=C(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)cc(c3OC(=O)c(cc4)ccc4[N+](=O)[O-])OC,0.0
22361,CO-ADD:0219157,8.23,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)C(=O)Nc2cccc(F)c2,0.0
22362,CO-ADD:0219387,8.23,C(=O)(c(cc1)ccc1C(C)(C)C)Nc(cc2)ccc2Cl,0.0
22363,CO-ADD:0221201,8.23,c1(N(CC(OC)=O)C#N)nc(SC)nc(N(C)C)n1,0.0
22364,CO-ADD:0220854,8.23,[N+](=O)([O-])c(cc1Cl)cc(c1NC(=O)c2ccc(cc2)NC(CCCCCCCCC)=O)Cl,0.0
22365,CO-ADD:0225949,8.23,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4cccc(Cl)c4)C2=O,0.0
22366,CO-ADD:0225968,8.23,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4onc(c5ccc(cc5)SC)n4)C2=O,0.0
22367,CO-ADD:0226840,8.23,C1(=N2)N(c3c(cccc3)N=C1Oc(cc4)ccc4C(C)C)C(N2CC(=O)Nc(ccc(c56)OCO5)c6)=O,0.0
22368,CO-ADD:0225992,8.23,n12c(ccc(c3ccc(c(C)c3)C)n1)nnc2CCC(=O)NCc4cccc(Br)c4,0.0
22369,CO-ADD:0234970,8.23,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(COc2ccc(cc2C)C)=O,0.0
22370,CO-ADD:0231204,8.23,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\O,0.0
22371,CO-ADD:0231328,8.23,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\NC(=O)C(Cc3ccccc3)C(=O)N\N=C\c(cc4)ccc4OS(=O)(=O)c5ccc(cc5)C,0.0
22372,CO-ADD:0227890,8.23,c1(NC(CCC)=O)nnc(Cc2ccccc2)s1,0.0
22373,CO-ADD:0227842,8.23,S(=O)(=O)(N1CCCC1C(O)=O)c2cccc(nsn3)c23,0.0
22374,CO-ADD:0227831,8.23,n1(c(c2ccc(cc2)F)nn3)c3c(c(Cl)c(C#N)c1Cl)Cl,0.0
22375,CO-ADD:0227991,8.23,N(=C(/C)\c1ccccc1)/NC(COc2ccc(cc2OC)Br)=O,0.0
22376,CO-ADD:0236494,8.23,c1(C#N)c(C)c(oc1\N=C\c(cc2OC)cc(c2O)Br)C,0.0
22377,CO-ADD:0234104,8.23,C(CCCC(OC)=O)(=O)Nc(cc1)ccc1I,0.0
22378,CO-ADD:0234332,8.23,[n+](c(C)cc(c1C#N)C)([C@]2([H])[C@@](S3)([H])CCC[C@@]2([H])I)c13.[I-].II,0.0
22379,CO-ADD:0236355,8.23,c1(N(C)N=Nc2nonc2OCC)nonc1OCC,0.0
22380,CO-ADD:0234123,8.23,C1(NC(=O)c2ccccc2c3ccccc3)=C(C)N(N(c4ccccc4)C1=O)C,0.0
22381,CO-ADD:0234255,8.23,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4ccccc4Br,0.0
22382,CO-ADD:0234830,8.23,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc(cc2)ccc2C)=O)c3cccc(F)c3,0.0
22383,CO-ADD:0230936,8.23,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2OC)OC)CC(=O)N(C)C,0.0
22384,CO-ADD:0231410,8.23,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
22385,CO-ADD:0234813,8.23,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(COc3c(C)cccc3C)=O,0.0
22386,CO-ADD:0236622,8.23,C(C#N)(C1(CCCCC1)C(C#N)C(N2)=O)=C2SCC=C,0.0
22387,CO-ADD:0233111,8.23,N1(c2sccn2)C(=O)c(c3C1=O)cccc3,0.0
22388,CO-ADD:0233263,8.23,c1(ccccc1OC)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Br,0.0
22389,CO-ADD:0236689,8.23,c1(NC(COC(=O)C(CCSC)NC(C)=O)=O)sc(c2c1C(OCC)=O)CCC2,0.0
22390,CO-ADD:0234505,8.22,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OCC(OCC)=O)c4)\C1=O,0.0
22391,CO-ADD:0231101,8.22,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)Nc3ccccc3C,0.0
22392,CO-ADD:0233574,8.22,n1c2c(oc1c3ccc(cc3)\N=C\c(cc4)ccc4\C=N\c(cc5)ccc5c6oc(c7n6)cccc7C)cccc2C,0.0
22393,CO-ADD:0231102,8.22,C(C(c1ccc(cc1)Cl)Nc2ccccc2)C(=O)c3ccc(cc3)CC,0.0
22394,CO-ADD:0225386,8.22,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc5c(C)ccc(F)c5,0.0
22395,CO-ADD:0226915,8.22,n(c1c(cccc1)nc2SCC(=O)Nc(ccc(c3Cl)C)c3)(c(C(C)C)nn4)c24,0.0
22396,CO-ADD:0226939,8.22,C1(=N2)N(c3c(cccc3)N=C1Sc4cccc(OC)c4)C(N2CC(=O)N5CCCc(cccc6)c56)=O,0.0
22397,CO-ADD:0221080,8.22,c1(\C=N\NC(COc2ccc(cc2OC)Br)=O)c3c(cccc3)cc(cccc4)c14,0.0
22398,CO-ADD:0219542,8.22,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(COc2cc(C)ccc2C(C)C)=O)C(C)(C)C,0.0
22399,CO-ADD:0219534,8.22,c1(C(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccc(cc3)OC)c(O)cc(c4c1)cccc4,0.0
22400,CO-ADD:0222718,8.22,N(=C(/C)\c(cc1)ccc1C(C)(C)C)/NC(=O)c2ccc(cc2)OCc3ccccc3,0.0
22401,CO-ADD:0219811,8.22,[N+](=O)([O-])c1cccnc1SSCC(C(O)=O)NC(=O)OC(C)(C)C,0.0
22402,CO-ADD:0218946,8.22,c1(C(=O)N\N=C\c(ccc(c2OC)C)c2)c(O)cc(c3c1)cccc3,0.0
22403,CO-ADD:0220939,8.22,N(\C(=C/c1cccs1)\C(O2)=O)=C2c3cccc(C)c3,0.0
22404,CO-ADD:0221185,8.22,n1(nnnc1C(Nc(cc2)ccc2C)c3cccc(Cl)c3)C(C(C)(C)C)C(Oc(cc4)ccc4Cl)n(c5)ncn5,0.0
22405,CO-ADD:0221889,8.22,C(=O)(Nc(cc1)ccc1CCCC)C(NCCOC=C)=O,0.0
22406,CO-ADD:0220989,8.22,n(Cc1ccccc1)(c2c(c3\C=N\NC(=O)c4ccc(cc4)C)cccc2)c3C,0.0
22407,CO-ADD:0218113,8.22,c1(SCC(=O)N\N=C\c(cc2)ccc2Br)oc(c3n1)cccc3,0.0
22408,CO-ADD:0218151,8.22,N1(CCN2c(cccc3)c3C(=O)C2=O)C(=O)c4c(cccc4)C1=O,0.0
22409,CO-ADD:0218575,8.22,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(/c2ccccc2)\C=C\c3ccccc3,0.0
22410,CO-ADD:0218586,8.22,N(c1ccccc1)(c2ccccc2)C(=O)COc3ccc(cc3Cl)Cl,0.0
22411,CO-ADD:0218594,8.22,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c2ccccc2NC(=O)c3ccccc3C,0.0
22412,CO-ADD:0236354,8.22,c1(N(C)N=Nc2c(C)non2)c(C)non1,0.0
22413,CO-ADD:0237028,8.22,NCC(C)(C)C(O)C(NCCC(NCCC1=CC=CC=C1)=O)=O,0.0
22414,CO-ADD:0229013,8.22,c1(ccccc1NC(=O)c2ccc(cc2)N)C(OC)=O,0.0
22415,CO-ADD:0231361,8.22,C(NCC=C)(=O)C(NCCCO)=O,0.0
22416,CO-ADD:0231785,8.22,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc(cc2)ccc2C)=O)N(CC(C)C)CC(C)C)c1,0.0
22417,CO-ADD:0227262,8.22,C(C1(C)C)(C[C@@H](S(O)\N=C\c(ccc([N+](=O)[O-])c2)c2)[C@@](O)(C)C3)C13,0.0
22418,CO-ADD:0227311,8.22,C(COc1ccc(cc1OC)Br)(=O)N\N=C(/C)\C=C\c2ccco2,0.0
22419,CO-ADD:0229614,8.22,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c6cccc(Cl)c6)o5,0.0
22420,CO-ADD:0227564,8.22,N(=C\c1cc(Cl)ccc1O)/c2cc(CC)ccc2O,0.0
22421,CO-ADD:0227165,8.22,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(=O)Nc3cccc(Br)c3,0.0
22422,CO-ADD:0234644,8.22,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
22423,CO-ADD:0233605,8.22,C(N\N=C\c(cc1)ccc1N(C)C)(=S)Nc2ccccc2,0.0
22424,CO-ADD:0229805,8.22,s1c(CCSCCc2nnc(N)s2)nnc1N,0.0
22425,CO-ADD:0227676,8.22,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(ccc(c3[N+](=O)[O-])N(CC)CC)c3,0.0
22426,CO-ADD:0227316,8.22,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c2cc(Br)ccc2OC(=O)c3ccc(cc3)Br,0.0
22427,CO-ADD:0233725,8.22,N(CC1)(CCC1(C)c(ccn2)o2)C([C@@H](CCCCN)N)=O.Cl.Cl,0.0
22428,CO-ADD:0233103,8.21,c1(cc(cc(C(N2)=O)c1NC2=O)[N+](=O)[O-])[N+](=O)[O-],0.0
22429,CO-ADD:0233031,8.21,N(\C(=C/c(ccc(c1OC(C)=O)OC)c1)\C(O2)=O)=C2c3ccc(cc3)Cl,0.0
22430,CO-ADD:0233236,8.21,c1(n2)\C(=N/NC(=O)c3ccc(cc3)O)\c(n4)c(\C(=N\NC(=O)c5ccc(cc5)O)\c1nn2Cc6ccccc6)nn4Cc7ccccc7,0.0
22431,CO-ADD:0233095,8.21,N1=C(CCN1c2ccccc2)\C=C(\C#N)/C#N,0.0
22432,CO-ADD:0232885,8.21,S1(=O)(=O)c2c(C(Nc3ccccc3OCC)=N1)ccc(c2)[N+](=O)[O-],0.0
22433,CO-ADD:0233232,8.21,C(Cl)(=C1C=[N+]([H])c2ccccc2)\C(\CC1)=C/Nc3ccccc3.[Cl-],0.0
22434,CO-ADD:0236322,8.21,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCc3ccc(cc3Cl)Cl)c4ccccc4,0.0
22435,CO-ADD:0233589,8.21,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccc(cc3)Br)OCC,0.0
22436,CO-ADD:0234606,8.21,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(=O)Cc3cccc(cccc4)c34)o1,0.0
22437,CO-ADD:0234850,8.21,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2C(=O)\C=C\c(cc3)ccc3F)c4cccc(Br)c4,0.0
22438,CO-ADD:0229639,8.21,n1(c2ccc(c(C)c2)C)c(c3ccccc3)cc4c1CC(C)(C)CC4=O,0.0
22439,CO-ADD:0219053,8.21,S(=O)(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2Cl)c(ccc(c3[N+](=O)[O-])C)c3,0.0
22440,CO-ADD:0219354,8.21,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc(cc3)ccc3OCC)Nc(cc4)ccc4OCC,0.0
22441,CO-ADD:0221796,8.21,C(=O)(C(C)(C)C)NC(CCC(O)=O)C(O)=O,0.0
22442,CO-ADD:0221685,8.21,N1(CNc(ccc(c2C)C)c2)C(=O)\C(\SC1=S)=C/c3ccc(cc3Cl)Cl,0.0
22443,CO-ADD:0221249,8.21,c1(c(cc(cc2)CN3CCCCC3)c2n4CCN(Cc5ccccc5)Cc6ccccc6)c4CCCC1=O,0.0
22444,CO-ADD:0221936,8.21,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)cc(c2NC(=O)c(cc3)ccc3C(=O)Nc4ccc(cc4Cl)NC(=O)c(cc5)ccc5[N+](=O)[O-])Cl,0.0
22445,CO-ADD:0219614,8.21,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2C,0.0
22446,CO-ADD:0219610,8.21,N(C(CCC(=O)N\N=C\c1ccccc1OC)=O)c2ccc(cc2C)I,0.0
22447,CO-ADD:0220349,8.21,C(CNc(cc1)ccc1C)(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
22448,CO-ADD:0220366,8.21,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc2cccc(C)c2)=O)c3ccccc3Cl,0.0
22449,CO-ADD:0221029,8.21,[N+](=O)([O-])c(cc1)cc(c1NC(=O)c2ccc(cc2)NC(=O)c3cccc(C)c3)C,0.0
22450,CO-ADD:0222439,8.21,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(=O)C(O)c3ccccc3,0.0
22451,CO-ADD:0221008,8.21,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2OCC=C,0.0
22452,CO-ADD:0219447,8.21,C(=O)(NCC(C)C)C\C(\C)=N\NC(Cc(cc1)ccc1c2ccccc2)=O,0.0
22453,CO-ADD:0219326,8.21,c1(SCC(=O)Nc2ccccc2)nc(cc(C)c1C#N)C(F)(F)F,0.0
22454,CO-ADD:0219296,8.21,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c4ccccc4I,0.0
22455,CO-ADD:0219428,8.21,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C\c2ccccc2OCc(cc3)ccc3Cl,0.0
22456,CO-ADD:0218050,8.21,C(/C#N)(=C/c(cc1)ccc1N(CC)CC)\C(=O)Nc(ccc(c2C)C)c2,0.0
22457,CO-ADD:0218666,8.21,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c3ccc(cc3OC)OC)c1,0.0
22458,CO-ADD:0218106,8.21,C(c1ccccc1)(=O)NCC(=O)NCC(=O)\N=C\c(ccc(c2OC)OC)c2,0.0
22459,CO-ADD:0218209,8.21,c1(\N=C\c2c(O)ccc(cccc3)c23)sc(c4c1C(OCC)=O)CCCC4,0.0
22460,CO-ADD:0218197,8.21,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)OCC(c2ccccc2)=O)c1,0.0
22461,CO-ADD:0218589,8.21,C(COC(CCC(NCCCCCCCC)=O)=O)#C,0.0
22462,CO-ADD:0233775,8.2,N1(CCC[C@@H](C1)c(ccn2)o2)C(=O)c3ccc(cc3)CN.Cl,0.0
22463,CO-ADD:0229808,8.2,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)S\C(\N)=N\c(ccc(c34)cccc3)c4,0.0
22464,CO-ADD:0229028,8.2,c1(\C=N\c(cccc2[N+](=O)[O-])c2)cc(oc1S)C,0.0
22465,CO-ADD:0236518,8.2,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)NC(=O)c4ccc(cc4Cl)Cl,0.0
22466,CO-ADD:0231200,8.2,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1F)C(=O)Nc(cc2)ccc2CC,0.0
22467,CO-ADD:0227412,8.2,N(=C(/C)\c1ccccc1)/NC(CNc2cccc(Br)c2)=O,0.0
22468,CO-ADD:0231755,8.2,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2Cl)=O)N(C)C)c1,0.0
22469,CO-ADD:0227121,8.2,c(NC(C)(C)CO)(n1)nc(nc1Nc2ccccc2)Nc3ccccc3,0.0
22470,CO-ADD:0227139,8.2,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc(cc4)ccc4C,0.0
22471,CO-ADD:0235967,8.2,N(\C(=C\c(cc1)ccc1OC)\C(O2)=O)=C2c3ccc(cc3)OCCCC,0.0
22472,CO-ADD:0234915,8.2,c1(cc(cc(OC)c1OCC(=O)N\N=C\c2cc(Br)ccc2O)[N+](=O)[O-])[N+](=O)[O-],0.0
22473,CO-ADD:0234960,8.2,c(\C=N\NC(COc1ccc(cc1C)C)=O)(cc(Br)cc2Br)c2O,0.0
22474,CO-ADD:0236460,8.2,n(c1C)(nnc1C(=O)N\N=C\c(cc2)ccc2F)c3nonc3N,0.0
22475,CO-ADD:0229045,8.2,C(=O)(c1ccc(cc1)Cl)NC2CCCCC2,0.0
22476,CO-ADD:0233079,8.2,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)N=C(c5ccccc5)N1,0.0
22477,CO-ADD:0231406,8.2,[N+](=O)([O-])c(cc1)cc(c1c2ccc(\C=N\c3ccccc3OC)o2)Cl,0.0
22478,CO-ADD:0229114,8.2,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2ccc(cc2)OCc3cccc(C)c3)O)c1,0.0
22479,CO-ADD:0234720,8.2,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(cc3)ccc3C(C)C,0.0
22480,CO-ADD:0232934,8.2,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc4cccc(Cl)c4,0.0
22481,CO-ADD:0232868,8.2,c1(C(F)(F)F)[nH]c2c(ccc(c2)NC(CC)=O)n1,0.0
22482,CO-ADD:0234574,8.2,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
22483,CO-ADD:0231116,8.2,C(=O)(Nc(cc1)ccc1C(C)C)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O,0.0
22484,CO-ADD:0231404,8.2,c1(N2CCCCCC2)nc(N\N=C/c3cccc(OC)c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
22485,CO-ADD:0229588,8.2,n12c(nc(cc1C(F)(F)F)c3ccccc3)cc(C(=O)Nc4sc(c5c4C#N)CCCC5)n2,0.0
22486,CO-ADD:0227542,8.2,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(ccc(c4Cl)OC)c4,0.0
22487,CO-ADD:0157225,8.2,O=C(N(C(C=C1)=CC=C1Cl)N=C/2C)C2=C\NC3=CC=C(Br)C=C3,0.0
22488,CO-ADD:0157033,8.2,N#CC1=C(SCC(NC2=CC([N+]([O-])=O)=CC=C2)=O)N=C(C3=CC=CS3)C=C1C4=CC=CS4,0.0
22489,CO-ADD:0157616,8.2,O=C1C2=C(CC(C)(C)C1)C(C3=C4C=CC=C3)=C(C=C4)NC2C5=CC=C(C6=CC=C(C(C(O)=O)=C6)Cl)O5,0.0
22490,CO-ADD:0157640,8.2,N#CSCC(NC1=C(C(OCC)=O)C(CCCC2)=C2S1)=O,0.0
22491,CO-ADD:0163652,8.2,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(COc3ccccc3C#N)=O)o1,0.0
22493,CO-ADD:0166521,8.2,[N+](=O)([O-])c1c(OC)ccc(c1)C(NCCc(cc2)ccc2Cl)=O,0.0
22494,CO-ADD:0217587,8.19,c1(ccc(\C=N\NC(=O)C(C)Oc2ccccc2Br)s1)[N+](=O)[O-],0.0
22495,CO-ADD:0217285,8.19,N1(CNc(cc2)ccc2I)C(=O)\C(\SC1=O)=C\c3ccc(C)o3,0.0
22496,CO-ADD:0216875,8.19,C([C@H](NC(=O)C)CC1)[C@H](O1)c(cc2)c(F)c(OC)c2,0.0
22497,CO-ADD:0217241,8.19,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)OC(C)(C)C,0.0
22498,CO-ADD:0217281,8.19,c1(sc(c2n1)cccc2)Sc3ccc(\C=N\c(cc4)ccc4CCCC)o3,0.0
22499,CO-ADD:0217628,8.19,S(c1ccccc1)(=O)(=O)N\N=C\c2cc(OC)ccc2Br,0.0
22500,CO-ADD:0217593,8.19,s1c(\C=N\NC(COc(cc2)ccc2OC)=O)ccc1Br,0.0
22501,CO-ADD:0217617,8.19,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(=O)C(C)Oc(ccc(c45)cccc4)c5,0.0
22502,CO-ADD:0216920,8.19,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(cccc3)c23)\C=N\NC(=O)c4ccccc4[N+](=O)[O-],0.0
22503,CO-ADD:0216936,8.19,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(cccc3)c23)\C=N\c4ccc(cc4C)C,0.0
22504,CO-ADD:0217144,8.19,C1(C#N)(C#N)C(c2ccc(cc2)Cl)C3C(C(C#N)=C1N)=CCC(C(C)(C)C)C3,0.0
22505,CO-ADD:0216968,8.19,C(=O)(C\C(\C)=N\NC(C)=O)Nc1cc(C)ccc1OC,0.0
22506,CO-ADD:0157084,8.19,N#CC1=C(N)OC(CCC2)=C(C2=O)C1C(C=C3Br)=CC=C3F,0.0
22507,CO-ADD:0157316,8.19,O=C(NC1=CC=C(Br)C=C1)CCCC(N/N=C/C2=CNC3=C2C=CC=C3)=O,0.0
22508,CO-ADD:0156980,8.19,N#CC1=C(SC2=C1CCCC2)/N=C(C)/CN3N=C([N+]([O-])=O)N=N3,0.0
22509,CO-ADD:0157293,8.19,O=C(NC(C=C1)=CC=C1Br)CCC(N/N=C/C2=CC=C(C)S2)=O,0.0
22510,CO-ADD:0215547,8.19,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\NC(=O)c3ccc(cc3)OC,0.0
22511,CO-ADD:0214958,8.19,C(=O)(C(C)(C)C)Nc(cc1)ccc1C(=O)N\N=C\c2ccc(cc2OC)OC,0.0
22512,CO-ADD:0215756,8.19,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)Nc(cc3)ccc3OC,0.0
22513,CO-ADD:0215780,8.19,C(=O)(N\N=C\c(cc1)ccc1N)c2ccc(cc2)O,0.0
22514,CO-ADD:0158170,8.19,N#CC1=C(SC/C=C/C2=CC=CC=C2)N=C(C3=CC=CS3)C=C1C(C=C4)=CC=C4F,0.0
22515,CO-ADD:0158186,8.19,N#CC1=C(N)OC(CCl)=C(C(OCC)=O)C1C2=CC=CC=C2C,0.0
22516,CO-ADD:0158274,8.19,[O-][N+](C1=CC(C2=CC=C(/C=N/NC(C3=CC=C(F)C=C3)=O)O2)=CC=C1)=O,0.0
22517,CO-ADD:0158303,8.19,[O-][N+](C1=CC(Cl)=CC(Cl)=C1OCC(N/N=C(C)/C(C=C2)=CC=C2Br)=O)=O,0.0
22518,CO-ADD:0216868,8.19,n(c1)(C(C)(C)C)cc(n(c2)nnc2)n1,0.0
22519,CO-ADD:0217444,8.19,n1c(ccc(c2)\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])c2oc1c5ccc(cc5)Br,0.0
22520,CO-ADD:0217276,8.19,C(=O)(N\N=C\c1cccs1)C(=O)NCC2CCCO2,0.0
22521,CO-ADD:0216917,8.19,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c(cc3)ccc3I,0.0
22522,CO-ADD:0217117,8.19,c1(SC(C)C(OCC)=O)nc(CCN(C2)C)c2c(c3cccs3)c1C#N,0.0
22523,CO-ADD:0216989,8.19,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc2ccc(c3c2\C=N\c4ccc(cc4C)C)cccc3,0.0
22524,CO-ADD:0217377,8.19,c1(C(=O)N\N=C\c(ccc2c3ccc(cc3Cl)Cl)o2)nn(c(c4ccccc4)n1)c5ccccc5,0.0
22525,CO-ADD:0217106,8.18,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(CSc3c(ccc(c4cccs4)n3)C#N)OC(N)=C1C#N,0.0
22526,CO-ADD:0216922,8.18,C(=O)(N\N=C\c1c2c(cccc2)cc(cccc3)c13)C(=O)Nc4cc(C)ccc4C,0.0
22527,CO-ADD:0157325,8.18,O=C1/C(N=C(C2=CC=CC(Cl)=C2)O1)=C/C(C=C3)=CC=C3C,0.0
22528,CO-ADD:0157141,8.18,O=C(C1=CC(OC)=CC=C1)N/N=C(C)/CC(NC2=CC(Cl)=C(Cl)C=C2)=O,0.0
22530,CO-ADD:0217555,8.18,c1(c(O)c(\C=N\c(cc2)ccc2c3oc(c4n3)cc(c(C)c4)C)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
22531,CO-ADD:0158294,8.18,[O-][N+](C1=C(OC)C=CC(C(O/N=C2C3=C(CCC\2)C(C)=C(OC)C=C3)=O)=C1)=O,0.0
22532,CO-ADD:0158167,8.18,O=C(CSCC1=CC=C(Cl)C=C1)N/N=C/C(C=CC=C2)=C2F,0.0
22533,CO-ADD:0158199,8.18,O=S(N(C(C=C1Cl)=CC=C1C)CC(N/N=C/C2=CC=C(C=C2)OC(C3=CC=CC=C3)=O)=O)(C4=CC=CC=C4)=O,0.0
22534,CO-ADD:0164387,8.18,CC(=O)CCCCn1cnc2n(C)c(=O)n(C)c(=O)c12,0.0
22535,CO-ADD:0214915,8.18,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2C)C(=O)Nc(cccc3C(F)(F)F)c3,0.0
22536,CO-ADD:0214931,8.18,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c2ccc(cc2)NC(CC)=O,0.0
22537,CO-ADD:0215394,8.18,c1(C#N)c(c2cccs2)c3c(nc1SCC(=O)CC(OCC)=O)CCCC3,0.0
22538,CO-ADD:0215546,8.18,n1(C(=O)c2ccccc2OC)c(c3ccc(cc3)Cl)c4c(CCCC4)n1,0.0
22539,CO-ADD:0215760,8.18,[N+](=O)([O-])c1ccc(cc1)OC(CNC(CNC(OCc2ccccc2)=O)=O)=O,0.0
22540,CO-ADD:0215104,8.18,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C\NCCCOC,0.0
22541,CO-ADD:0166421,8.18,c1(N(C)C)ccc(cc1Br)\C=N\NC(CSCc2ccccc2Br)=O,0.0
22542,CO-ADD:0166254,8.18,C(=O)(c1cccc(I)c1)Nc(cc2)ccc2I,0.0
22543,CO-ADD:0215685,8.18,N1(c2sccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4O,0.0
22544,CO-ADD:0215301,8.18,c(C(=O)Nc(cccc1[N+](=O)[O-])c1)(c2N)sc3c2cc(c(C)n3)C(C)=O,0.0
22545,CO-ADD:0215357,8.18,C(C(OCC)=O)(C1c2ccc(cc2)C#N)=C(CSc3c(ccc(c4cccs4)n3)C#N)OC(N)=C1C#N.[Na+],0.0
22546,CO-ADD:0154581,8.18,O=C(C(C#N)=C1C2=C(C=CC=C2)OC)OC3=C1C=CC4=C3C=CC=C4,0.0
22547,CO-ADD:0217138,8.18,C12(c3c(NC1=O)cccc3)C(C(OC)=O)=C(C)OC(N)=C2C(=O)OCc4ccccc4,0.0
22548,CO-ADD:0216984,8.18,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c3ccccc3Cl,0.0
22549,CO-ADD:0217113,8.18,c1(c(CCN(C)C1)nc(c2C#N)SCC(=O)OC(C)(C)C)c2c3cccs3,0.0
22550,CO-ADD:0216986,8.18,C(=O)(C\C(\C)=N\NC(=O)Cc1cccc(cccc2)c12)Nc3cc(C)ccc3OC,0.0
22551,CO-ADD:0217010,8.18,c1(\N=C\c(cccc2[N+](=O)[O-])c2)sc3c(ccc(Br)c3)n1,0.0
22552,CO-ADD:0217026,8.18,C(CSCc1ccccc1Br)(=O)N\N=C\c(cc2)ccc2OCC=C,0.0
22553,CO-ADD:0163667,8.18,C(OC\C=C\c1ccccc1)(=O)Nc(cc2)ccc2I,0.0
22554,CO-ADD:0218356,8.18,C(c1ccccc1)(=O)N\N=C\c2ccco2,0.0
22555,CO-ADD:0218284,8.18,CC1=CC(Oc2c1c(O)cc(CCCCC)c2)=O.C[N+](C)=C/C=C/N(C)C,0.0
22556,CO-ADD:0218459,8.17,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)O)c1,0.0
22557,CO-ADD:0215329,8.17,c1(C#N)c(c2ccc(cc2)C)c3c(nc1SCC(=O)Nc(cccc4[N+](=O)[O-])c4)CCCC3,0.0
22558,CO-ADD:0215081,8.17,c1(ccc(cc1OCc2ccccc2)OCc3ccccc3)C(=O)N\N=C\c(ccc(c4O)O)c4,0.0
22559,CO-ADD:0215607,8.17,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c(cc3)ccc3C,0.0
22560,CO-ADD:0214951,8.17,C(=O)(N\N=C\c1ccc(cc1O)O)c2ccc(cc2)NC(CC)=O,0.0
22561,CO-ADD:0214975,8.17,c1(ccc(cc1Cl)Cl)C(=O)Oc2cc(ccc2\C=N\NC(=O)c3cccc(C)c3)OC(=O)c4ccc(cc4Cl)Cl,0.0
22562,CO-ADD:0215392,8.17,c1(C#N)c(c2cccs2)c3c(nc1SCC(OCc4ccccc4)=O)CCCC3,0.0
22563,CO-ADD:0166668,8.17,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c3ccc(cc3)CC,0.0
22564,CO-ADD:0166168,8.17,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
22565,CO-ADD:0166641,8.17,C(c1ccc(c(OC)c1)OC)(C(C(C)=O)C(OCC)=O)C(C(C)=O)C(OCC)=O,0.0
22566,CO-ADD:0166591,8.17,C1(C(=O)NC(C)c2ccccc2)CC1(C)C,0.0
22567,CO-ADD:0166583,8.17,c(\C=N\NC(CNc(cc1)ccc1I)=O)(c2c([nH]3)cccc2)c3,0.0
22568,CO-ADD:0166680,8.17,C(C#N)(C1c2ccc(cc2)C#N)=C(N)OC(CC(C)(C)CC3=O)=C13.[Na+],0.0
22569,CO-ADD:0215133,8.17,n1(c2c(n3)cccc2)c3c(c(C)c(\C=N\c(cc4)ccc4Oc(cc5)ccc5\N=C\c(c(C)c(C#N)c6n7c8c(n6)cccc8)c7O)c1O)C#N,0.0
22570,CO-ADD:0215157,8.17,C1(C#N)(C#N)[C@H](c2ccc(c(OC)c2)OC)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5ccc(cc5C)C,0.0
22571,CO-ADD:0215086,8.17,c1(\C=N\NC(=O)C(C)(C)Oc(cc2)ccc2CC)c(cccc1Cl)Cl,0.0
22573,CO-ADD:0154223,8.17,OC(C=CC=C1)=C1C2=CC3=CC=CC=C3N2,0.0
22575,CO-ADD:0217378,8.17,c1(C(=O)N\N=C\c(cc2)ccc2N(C)C)nn(c(c3ccccc3)n1)c4ccccc4,0.0
22576,CO-ADD:0217183,8.17,C(/O)(\c1ccc(cc1)Cl)=C/C=N/Cc2ccccc2,0.0
22577,CO-ADD:0217381,8.17,c1(ccc(\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)o1)[N+](=O)[O-],0.0
22578,CO-ADD:0217131,8.17,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c3ccccc3I,0.0
22579,CO-ADD:0217155,8.17,c1(C#N)c(c2cccs2)c(CCC(C3)C(C)(C)C)c3nc1SCC(=O)c4ccc(cc4)F,0.0
22580,CO-ADD:0217041,8.17,[N+](=O)([O-])c1cccc(c1)NCC(=O)c(cc2)ccc2C(C)(C)C,0.0
22581,CO-ADD:0217892,8.17,O(CC(CNCC)O)c1ccccc1OCC,0.0
22582,CO-ADD:0218612,8.17,N(=C(/c1ccccc1)\C=C\c2ccccc2)/Nc3ccccc3Br,0.0
22583,CO-ADD:0217853,8.17,c1(c(C)nc(c(C#N)c1COC)Cl)[N+](=O)[O-],0.0
22584,CO-ADD:0225553,8.17,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc4cccc(C)c4C)c2,0.0
22585,CO-ADD:0225484,8.17,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc5cc(C)ccc5OC)=O,0.0
22586,CO-ADD:0225657,8.17,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc(cc4)ccc4C(OC)=O)=O,0.0
22587,CO-ADD:0226751,8.17,c12n(ccn(nc(c3ccc(cc3)C)c4)c14)c(nn2)SCC(=O)Nc(cc5)ccc5C#N,0.0
22588,CO-ADD:0226724,8.17,N1(c(ccs2)c2C(N3CCC(C)C)=O)C3=NN(Cc4ccccc4Cl)C1=O,0.0
22589,CO-ADD:0226756,8.17,c12n(ccn(nc(c3ccc(cc3)C)c4)c14)c(nn2)SCC(=O)NCc(cc5)ccc5OC,0.0
22590,CO-ADD:0215408,8.17,C12(c3c(NC1=O)cccc3)C(C(C)=O)=C(C)OC(N)=C2C#N,0.0
22591,CO-ADD:0166535,8.17,N#Cc(cc1)ccc1\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
22592,CO-ADD:0166525,8.17,C(COc(cc1)ccc1CC)(NCCc2ccccc2)=O,0.0
22593,CO-ADD:0166164,8.17,C12(C)C(C1C(=O)N\N=C\c(cc3)ccc3[N+](=O)[O-])CCCC2,0.0
22594,CO-ADD:0166207,8.17,c1(c(C)cccc1C)OCC(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
22595,CO-ADD:0166216,8.17,C(=O)(NCC(=O)N\N=C(/CCC)\c1ccccc1)c2ccc(c(OC)c2)OC,0.0
22596,CO-ADD:0166169,8.17,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3OCC)cc(c3O)I,0.0
22597,CO-ADD:0215118,8.16,C(=C/Nc1ccc(cc1[N+](=O)[O-])C)(/C(=O)NC(N2)=S)\C2=O,0.0
22598,CO-ADD:0215134,8.16,n1(c2c(n3)cccc2)c3c(c(C)c(\C=N\c(cc4)ccc4C(OCCCC)=O)c1O)C#N,0.0
22600,CO-ADD:0217516,8.16,c(cc(Br)cc1Cl)(\C=N\c(cc2)cc(c23)ccc(C)n3)c1O,0.0
22601,CO-ADD:0217564,8.16,n1c(N(CC2)CCO2)c(Nc3ccccc3F)nc(non4)c14,0.0
22602,CO-ADD:0217293,8.16,c1(ccc(\C=N\c(cc2)ccc2OCCCCC)o1)Sc3ccccn3,0.0
22603,CO-ADD:0217337,8.16,c1(c2cccc(c2)\N=C\c3c(O)cc(c(Cl)c3C)C)oc(c4n1)cccc4,0.0
22604,CO-ADD:0217071,8.16,c1(c(Br)cc(cc1Br)C=O)OC(=O)c2ccc(cc2)C,0.0
22605,CO-ADD:0216995,8.16,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c3ccccc3OC,0.0
22606,CO-ADD:0217347,8.16,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c(ccc2c(ccc(c3Cl)Cl)c3)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
22607,CO-ADD:0217127,8.16,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c(cccn2)c2,0.0
22608,CO-ADD:0226618,8.16,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4F,0.0
22609,CO-ADD:0225290,8.16,N12C(C=CC(S(=O)(=O)C(C)(C)C)=N1)=NN(CC(=O)Nc(cc3)ccc3C(OCC)=O)C2=O,0.0
22610,CO-ADD:0225306,8.16,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc4cc(OC)cc(OC)c4)C2=O,0.0
22611,CO-ADD:0225330,8.16,C1(=N2)N(c3c(cccc3)N=C1N4CCC(CC4)C(OCC)=O)C(N2CC(=O)Nc5ccccc5F)=O,0.0
22612,CO-ADD:0225338,8.16,c12n(ccn(nc(c3ccc(cc3)F)c4)c14)c(nn2)SCC(=O)NCc5ccccc5Cl,0.0
22613,CO-ADD:0166595,8.16,C1(C)=CC(=O)Oc(ccc(c2)OC(CC)=O)c12,0.0
22614,CO-ADD:0166554,8.16,C(=O)(N\N=C\c(ccc(c1Cl)Cl)c1)C(=O)Nc2ccccc2C,0.0
22615,CO-ADD:0166516,8.16,c1(ccc(c(cccc2)c12)F)C(NCCOc3ccccc3F)=O,0.0
22616,CO-ADD:0165929,8.16,c1(c2c(cccc2)ccc1OC(=O)c3ccc(cc3)C)\C=N\c(ccc(c4C)C)c4,0.0
22617,CO-ADD:0166091,8.16,c1(\C=N\NC(COc(ccc(c2C)C)c2)=O)cc(Cl)ccc1O,0.0
22618,CO-ADD:0166426,8.16,C(=O)(N\N=C\c1cccc(Br)c1)C(=O)Nc2ccccc2OCC,0.0
22619,CO-ADD:0215123,8.16,C(=C\Nc(cc1)ccc1I)(/C(=O)NC(N2)=S)\C2=O,0.0
22620,CO-ADD:0215155,8.16,C(=O)(Nc(cc1)ccc1F)Nc2ccc(cc2C)I,0.0
22621,CO-ADD:0158192,8.16,N#CC1=C(N)OC(CCl)=C(C(OCC)=O)C1C2=CC=CC=C2F,0.0
22622,CO-ADD:0158008,8.16,[O-][N+](C(C=C1)=CC=C1C(NC2=CC=C(C=C2)C(C3=CC=C(C(NC(C4=CC=C(C=C4)[N+]([O-])=O)=O)=C3)C)=O)=O)=O,0.0
22623,CO-ADD:0158019,8.16,O=C(N/N=C/C1=CC=CC(Cl)=C1Cl)C(NC2=CC(C(F)(F)F)=CC=C2)=O,0.0
22624,CO-ADD:0158275,8.16,[O-][N+](C(C=C1)=CC=C1CSC2=NN=C(C3=CC=CO3)N2C4=CC=CC=C4)=O,0.0
22625,CO-ADD:0157940,8.16,O=C(N/N=C(C)/CC(NC1=CC=C(C=C1)C(N)=O)=O)C2=CC(OC)=CC(OC)=C2,0.0
22626,CO-ADD:0158148,8.16,S=C(N/N=C/C1=CC=CC=C1OCC2=CC=C(Cl)C=C2)NC3=CC=CC=C3,0.0
22627,CO-ADD:0217419,8.16,c1(cc(oc1c2ccccc2)C)C(=O)Nc(ccc(c34)cccc3)c4,0.0
22628,CO-ADD:0217235,8.16,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cccc2C(OC)=O)c2,0.0
22629,CO-ADD:0217259,8.16,c(cc(cccc1C)c1n2)(C(=O)N\N=C(/C)\CC(=O)Nc(ccc(c3Cl)Cl)c3)c2C,0.0
22630,CO-ADD:0217631,8.16,C(COc(cc1)ccc1C(C)CCC)(=O)N\N=C\c(cc2)ccc2OC,0.0
22631,CO-ADD:0216879,8.16,C(C1c2oncc2C)CNCC1.Cl,0.0
22632,CO-ADD:0216975,8.15,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)N\N=C(\CC)/c4ccccc4,0.0
22633,CO-ADD:0217020,8.15,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c(cc3)ccc3C(OCCCC)=O,0.0
22634,CO-ADD:0217308,8.15,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C/c3ccccc3OC,0.0
22635,CO-ADD:0217316,8.15,c(Nc1ccccc1)(nc(N\N=C\c2ccccc2OC)nc3Nc(cc4)ccc4OC)n3,0.0
22636,CO-ADD:0217488,8.15,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(C3C1=O)C(C=C4)C5(C34)CC5,0.0
22637,CO-ADD:0217537,8.15,n1c2c(oc1c3ccc(cc3)\N=C\C=C\c4ccccc4)cccc2C,0.0
22638,CO-ADD:0157254,8.15,O=C(N(C(C=C1)=CC=C1Cl)N=C/2C)C2=C\NC(C=C3)=CC=C3Cl,0.0
22639,CO-ADD:0164998,8.15,COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1,0.0
22640,CO-ADD:0165052,8.15,CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-],0.0
22641,CO-ADD:0164979,8.15,Cc1ncc(n1CCO)[N+]([O-])=O,0.0
22642,CO-ADD:0164587,8.15,COc1cc(CNC(=O)CCCC\C=C/C(C)C)ccc1O,0.0
22643,CO-ADD:0164591,8.15,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.OC(=O)CCC(=O)O,0.0
22644,CO-ADD:0165033,8.15,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,0.0
22645,CO-ADD:0225610,8.15,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc(cccc4C#N)c4)=O,0.0
22646,CO-ADD:0225642,8.15,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4ccc(cc4Cl)C)=O,0.0
22647,CO-ADD:0226741,8.15,N1(c(ccs2)c2C(N3Cc4ccccc4OC)=O)C3=NN(Cc5c(cccc5Cl)F)C1=O,0.0
22648,CO-ADD:0226778,8.15,c1(C2=O)n(c(nn1)CCC)c3c(cccc3)N2CC(=O)Nc(cccc4C#N)c4,0.0
22649,CO-ADD:0166006,8.15,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c2cccc(OC)c2,0.0
22650,CO-ADD:0166072,8.15,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c2ccc(cc2O)O,0.0
22651,CO-ADD:0166054,8.15,C(=O)(Oc(cc1)ccc1\C=N\c2cccc(OC)c2)\C=C\c(ccc(c3OC)OC)c3,0.0
22652,CO-ADD:0166065,8.15,c1(c2ccc(cc2)Br)ccc(\C=N\NC(COc(ccc(c3C)C)c3)=O)o1,0.0
22653,CO-ADD:0166760,8.15,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)SC(N\N=C\c(cccc3[N+](=O)[O-])c3)=N,0.0
22654,CO-ADD:0166386,8.15,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(CSCc3ccccc3Cl)=O,0.0
22655,CO-ADD:0166581,8.15,C1(C(=O)N\N=C\c(ccc2[N+](=O)[O-])o2)CC1c3ccccc3,0.0
22656,CO-ADD:0165902,8.15,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C/c(ccc(c2OC)OCCC)c2,0.0
22657,CO-ADD:0166145,8.15,c1(c(\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C/c3cccs3)ccc(O)c1OC)[N+](=O)[O-],0.0
22658,CO-ADD:0166681,8.15,C(C#N)(C1c2ccc(cc2)C#N)=C(N)OC(CCCC3=O)=C13,0.0
22659,CO-ADD:0166616,8.15,c1(C(C)C)cc(Br)c(cc1OCC(=O)N\N=C\c(cccc2Oc3ccccc3)c2)C,0.0
22660,CO-ADD:0154567,8.15,BrC(C(C=O)=C1)=CC(OC)=C1OC,0.0
22661,CO-ADD:0156630,8.15,OC([C@@H](NC(C1=CC=CC(C(F)(F)F)=C1)=O)C(C)C)=O,0.0
22662,CO-ADD:0154557,8.15,NCC#CC.Cl,0.0
22663,CO-ADD:0216903,8.15,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c(cc3)ccc3C(OCC)=O,0.0
22664,CO-ADD:0217600,8.15,s1c(\C=N\NC(COc(cc2)ccc2C)=O)ccc1Br,0.0
22665,CO-ADD:0164706,8.15,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O,0.0
22666,CO-ADD:0164738,8.15,CN(CCO)CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12.OC(=O)c1cccnc1,0.0
22667,CO-ADD:0164696,8.14,CCC(C)(C)\N=C(/NC#N)Nc1cccnc1,0.0
22668,CO-ADD:0164720,8.14,CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC,0.0
22669,CO-ADD:0164728,8.14,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,0.0
22670,CO-ADD:0164760,8.14,CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1,0.0
22671,CO-ADD:0225579,8.14,N12C(C=CC(Sc3cccc(F)c3)=N1)=NN(CC(=O)Nc(cc4)ccc4OCC)C2=O,0.0
22672,CO-ADD:0225595,8.14,C1(=NN(C2=O)Cc(ccc(c34)OCO3)c4)N2C=CC=C1S(=O)(=O)N5CCCC5,0.0
22673,CO-ADD:0225927,8.14,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc(ccc(c4C(F)(F)F)Cl)c4)C2=O,0.0
22674,CO-ADD:0226308,8.14,N1(C2=O)C(C=C(N=C1Nc3ccccc3C)C)=NN2CC(=O)NCc(ccc(c45)OCO4)c5,0.0
22675,CO-ADD:0225275,8.14,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc3ccc(cc3Cl)C)C2=O,0.0
22676,CO-ADD:0166279,8.14,C(=O)(c1ccc(cc1)Br)NCC(=O)OCC(c2ccccc2)=O,0.0
22677,CO-ADD:0166353,8.14,C(=O)(C(=O)NCc1ccccc1Cl)Nc2cccc(Cl)c2Cl,0.0
22678,CO-ADD:0166362,8.14,C(=O)(N(C(C)C)C(C)C)C\C(\C)=N\NC(=O)c1cccc(cccc2)c12,0.0
22679,CO-ADD:0154554,8.14,C#CCN([H])C.OC(C(O)=O)=O,0.0
22680,CO-ADD:0154592,8.14,ClC1=NC2=C(C=CC(OC)=C2C=C1C=O)OC,0.0
22681,CO-ADD:0154587,8.14,O=CC1=CC2=CC=CC=C2N=C1OC,0.0
22682,CO-ADD:0157034,8.14,N#CC1=C(SCC(NC2=NC(C)=CS2)=O)N=C(C3=CC=CS3)C=C1C4=CC=CS4,0.0
22683,CO-ADD:0164516,8.14,CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1.Cl,0.0
22684,CO-ADD:0164725,8.14,CC(CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NCCc1c[nH]cn1.OC(=O)/C=C\C(=O)O.OC(=O)/C=C\C(=O)O,0.0
22685,CO-ADD:0164439,8.14,CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1,0.0
22686,CO-ADD:0164403,8.14,C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O,0.0
22687,CO-ADD:0164396,8.14,COc1cc(ccc1OC(F)F)-c1ccc(O)nn1,0.0
22688,CO-ADD:0164444,8.14,Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O.Cl,0.0
22689,CO-ADD:0225331,8.14,C1(=N2)N(C=Nc(ccs3)c13)C(N2CC(=O)Nc(ccc(c45)OCO4)c5)=O,0.0
22690,CO-ADD:0226456,8.14,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCc(cc4)ccc4Cl,0.0
22691,CO-ADD:0225268,8.14,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc(cc3)ccc3Cl)C2=O,0.0
22692,CO-ADD:0225284,8.14,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc(ccc(c3Cl)C)c3)C2=O,0.0
22693,CO-ADD:0158284,8.14,O=C(CCCCCCC)N/N=C/C1=CC=C(C(C=C2)=CC=C2Cl)O1,0.0
22694,CO-ADD:0158189,8.14,N#CC1=C(N)OC(CCl)=C(C(OCC)=O)C1C2=CC=CS2,0.0
22695,CO-ADD:0217621,8.14,c1(\C=N\NC(COc2ccccc2Br)=O)c(ccc(cccc3)c13)OCc4cccc(Br)c4,0.0
22696,CO-ADD:0217253,8.14,c1(c2Br)c(sn2)nc(c3ccccc3)cc1C(F)(F)F,0.0
22697,CO-ADD:0157142,8.14,O=C(NC1=CC=C(C=C1)C(C)=O)C2C(C3=CC=CC=C3)(C4=CC=CC=C4)C2,0.0
22698,CO-ADD:0156982,8.14,N#CC1=C(N)S[C@@H](C(C2=CC=C(C)C=C2)=O)[C@@H]1C(C=C3)=CC=C3OC,0.0
22699,CO-ADD:0157462,8.14,[O-][N+](C1=CC(Br)=C(O)C(/C=N/NC2=NC(N3CCOCC3)=NC(NC(C=C4)=CC=C4OC)=N2)=C1)=O,0.0
22700,CO-ADD:0157478,8.14,O=C(COC1=C(Br)C=C(Cl)C=C1)N/N=C\C2=C(C=CC=C3)C3=CC=C2O,0.0
22701,CO-ADD:0157590,8.14,O=S(C(C=C1)=CC=C1NC(NC(C2(C[C@@H]3C4)C[C@@H]4C[C@@H](C3)C2)=O)=S)(N)=O,0.0
22702,CO-ADD:0164558,8.14,Clc1ccc2nsnc2c1NC1=NCCN1.Cl,0.0
22703,CO-ADD:0164641,8.14,CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1.Cl,0.0
22704,CO-ADD:0164960,8.14,CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0.0
22705,CO-ADD:0164576,8.14,CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C,0.0
22706,CO-ADD:0164988,8.14,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(O)=O,0.0
22707,CO-ADD:0164616,8.14,CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1.OC(=O)C(=O)O,0.0
22708,CO-ADD:0226707,8.13,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)NC4CCCC4,0.0
22709,CO-ADD:0226989,8.13,N1(c(ccs2)c2C(N3Cc4ccco4)=O)C3=NN(CC(=O)NC(C)CC)C1=O,0.0
22710,CO-ADD:0225329,8.13,C1(=N2)N(C=Cn(nc(c3cc(C)ccc3C)c4)c14)C(N2CC(=O)NCc5cccc(OC)c5OC)=O,0.0
22711,CO-ADD:0226305,8.13,N1(C2=O)C(C=C(N=C1Nc3ccccc3C)C)=NN2CC(=O)Nc(cc4)ccc4F,0.0
22712,CO-ADD:0225270,8.13,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc(cc(C)cc3C)c3)C2=O,0.0
22713,CO-ADD:0215316,8.13,c1(C#N)c(c2ccccc2)c3c(nc1SCC(=O)Nc4c(Br)cc(cn4)Br)CCCC3,0.0
22714,CO-ADD:0165861,8.13,[C@@H]1(C[C@@H]2S(=O)NC(C(F)(F)C(=O)OCC)c(cccc3)c3O)[C@@H](C1(C)C)C[C@H]2C,0.0
22715,CO-ADD:0165903,8.13,C(=O)(Nc(cc1)ccc1N(C)C)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O,0.0
22716,CO-ADD:0217928,8.13,C1(=O)C(C\C(\C)=N\NC(N)=S)CC(C)(C)O1,0.0
22717,CO-ADD:0218504,8.13,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(cccc2[N+](=O)[O-])c2)F)c1,0.0
22718,CO-ADD:0218808,8.13,c1(c2c(cccc2)ccc1OC(=O)c3ccc(cc3)Cl)\C=N\c(cc4)ccc4Cl,0.0
22719,CO-ADD:0217873,8.13,C(=N/OC(c1ccccc1)=O)(/S2)\C(Cl)=NS2,0.0
22720,CO-ADD:0158190,8.13,N#CC1=C(N)OC(CCl)=C(C(OCC)=O)C1C(C=C2)=CC=C2F,0.0
22721,CO-ADD:0158198,8.13,N#CC1=C(N)SC(C2)=C1CCC2C,0.0
22722,CO-ADD:0158270,8.13,O=C(NC1=CC=C(CC)C=C1)CCC(N/N=C/C2=CC(Cl)=CC=C2)=O,0.0
22723,CO-ADD:0217574,8.13,c1(csc(\C=N\NC(=O)c2ccc(cc2)OCC)c1)[N+](=O)[O-],0.0
22724,CO-ADD:0217495,8.13,c1(c(C)cccc1C)OCC(=O)N\N=C\c(cc2)ccn2,0.0
22725,CO-ADD:0157890,8.13,[O-][N+](C1=CC(Cl)=CC(/C=N/C2=C(O)C=CC(C)=C2)=C1O)=O,0.0
22726,CO-ADD:0157818,8.13,[O-][N+](C(C=C1)=CC=C1/C=N/NC(COC(C(Br)=C2)=CC=C2Cl)=O)=O,0.0
22727,CO-ADD:0157769,8.13,[O-][N+](C(C=C1)=CC=C1/C=N/NC(CNC(C2=CC(OC)=C(OC)C=C2)=O)=O)=O,0.0
22728,CO-ADD:0157910,8.13,ClC(C=C1)=CC=C1/C=N\NC2=NC(NC3=CC=CC=C3)=NC(NCC4=CC=CC=C4)=N2,0.0
22729,CO-ADD:0157471,8.13,[O-][N+](C1=CC=C(C(/C=N/NC(COC2=CC=CC3=CC=CC=C23)=O)=C1)N4CCCCCC4)=O,0.0
22730,CO-ADD:0157509,8.13,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC3=CC(C)=CC=C3OC,0.0
22731,CO-ADD:0226614,8.13,c1(nnc2SC(CC)C(=O)Nc3c(F)ccc(F)c3)n2C=CN(c4ccc(cc4)OCC)C1=O,0.0
22732,CO-ADD:0226670,8.13,c1(C2=O)n(c(nn1)CC)c3c(cccc3)N2CC(=O)Nc(cccc4C#N)c4,0.0
22733,CO-ADD:0226310,8.13,N1(C2=O)C(C=C(N=C1Nc(cc3)ccc3F)C)=NN2CC(=O)Nc4ccccc4CC,0.0
22734,CO-ADD:0226663,8.13,c1(nnc2SC(CC)C(=O)Nc3c(F)ccc(F)c3)n2C=CN(c4ccccc4)C1=O,0.0
22735,CO-ADD:0215536,8.13,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\NC(=O)c3ccccc3OC,0.0
22736,CO-ADD:0214917,8.13,C(=O)(N\N=C\c1ccccc1OC(=O)\C=C\c2ccccc2)c3ccc(cc3)NC(CC)=O,0.0
22737,CO-ADD:0166509,8.13,C(NCCc(cc1)ccc1Cl)(=O)c(cccc2C(NCCc(cc3)ccc3Cl)=O)c2,0.0
22738,CO-ADD:0166165,8.13,C12(C)C(C1C(=O)N\N=C\c(cccc3[N+](=O)[O-])c3)CCCC2,0.0
22739,CO-ADD:0217881,8.13,N1(CC(N(OCSC)C1c(cccc2[N+](=O)[O-])c2)=O)C(c3ccccc3)=O,0.0
22740,CO-ADD:0217953,8.13,C(=S)(Nc1ccccc1)C(N)=O,0.0
22741,CO-ADD:0218617,8.13,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(Cl)c1C)C(=O)Nc(cc2)ccc2C,0.0
22742,CO-ADD:0218434,8.12,S(CCCCCCCCC)(=O)(=O)N\N=C\c(cc1)ccc1Br,0.0
22743,CO-ADD:0217978,8.12,N1(CNc2c(C)cccc2C)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OC)OC,0.0
22744,CO-ADD:0217946,8.12,c1(\C=N\NC(COc2ccccc2OC)=O)cc(Br)ccc1OC,0.0
22745,CO-ADD:0217503,8.12,N1\C(=N\N=C\c(ccc(c2[N+](=O)[O-])Cl)c2)\S\C(=C\c(ccc(c3[N+](=O)[O-])Cl)c3)\C1=O,0.0
22746,CO-ADD:0217527,8.12,c1(c2ccc(cc2)I)ccc(\C=N\NC(COc3cc(C)ccc3C(C)C)=O)o1,0.0
22747,CO-ADD:0154221,8.12,[O-]C(C(CO)N)=O.Cl[Pd]Cl.[Cs+],0.0
22748,CO-ADD:0215044,8.12,C1(=C(c2c(cccc2)CC13CCCCC3)N=C(N4Cc5ccccc5)NN)C4=O,0.0
22749,CO-ADD:0157489,8.12,S=C(OC1=CC=C(C=C1)C(NC2=CC=CC(Br)=C2)=O)N3CCCCC3,0.0
22750,CO-ADD:0157609,8.12,O=C(N/N=C/C1=CC=C(Cl)C=C1)COC2=C(Br)C=C(Br)C=C2OC,0.0
22751,CO-ADD:0157617,8.12,S=C1SC(C2=NC(C=CC=C3)=C3N2)=C(N)N1CC=C,0.0
22752,CO-ADD:0157805,8.12,O=C(N/N=C/C1=C(C=CC=C2)C2=CC=C1OCC)C3=CC=C(N=C3)C,0.0
22753,CO-ADD:0157126,8.12,N#CC1=C(C)C(/C=N/C2=C(Cl)C=C(Cl)C=C2)=C(O)N3C1=NC4=CC=CC=C34,0.0
22754,CO-ADD:0156991,8.12,NC1=C(C(C2=CC=C(F)C=C2)=O)SC3=C1C(SC)=NC(N)=N3,0.0
22755,CO-ADD:0164855,8.12,OC(=O)C(Cl)Cl,0.0
22756,CO-ADD:0164848,8.12,COC(=O)C1=C(C)NC(C)=C(C1c1cccc2nonc12)C(=O)OC(C)C,0.0
22757,CO-ADD:0164490,8.12,NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc12,0.0
22759,CO-ADD:0164421,8.12,OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl,0.0
22760,CO-ADD:0225550,8.12,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc4c(C)cc(cc4C)C)c2,0.0
22761,CO-ADD:0225678,8.12,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)NCc4cccs4)=O,0.0
22762,CO-ADD:0217902,8.12,c1(NC(CCCCCCCC(=O)Nc2c(Cl)cc(cc2Cl)Cl)=O)c(Cl)cc(cc1Cl)Cl,0.0
22763,CO-ADD:0225464,8.12,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc5cccc(OC)c5)=O,0.0
22764,CO-ADD:0218030,8.12,n1c2c(oc1c3ccc(cc3)\N=C\c(ccc(c4Cl)Cl)c4)ccc(C(C)CCC)c2,0.0
22765,CO-ADD:0166785,8.12,N1(c(cc2)ccc2S(=O)(=O)Nc(cc3)ccc3OC)C(=O)c(c4)c(c(c5)C1=O)c(cc4[N+](=O)[O-])cc5[N+](=O)[O-],0.0
22766,CO-ADD:0166100,8.12,c1(Br)c(O)c(\C=N\NC(CNC(=O)c2cccc(F)c2)=O)cc(Br)c1O,0.0
22767,CO-ADD:0166745,8.12,S(=O)(=O)(c1ccc(cc1)N\C=C(/C(C)=NN2c3ccc(cc3)C)\C2=O)N(CC4)CCO4,0.0
22768,CO-ADD:0166359,8.12,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C2)\CC\C(\C2)=N\NC(=O)Cc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
22769,CO-ADD:0166183,8.12,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc(ccc(c2C)C)c2)=O,0.0
22770,CO-ADD:0218010,8.12,c1(ccc(\C=N\NC(COc(cc2)ccc2Cl)=O)o1)c3cc(Cl)ccc3Cl,0.0
22771,CO-ADD:0215189,8.12,C(=O)(c1ccc(cc1)Oc(ccc(c2C#N)C#N)c2)OCC(=O)c3ccc(cc3)Cl,0.0
22772,CO-ADD:0215845,8.12,C(=O)(N\N=C\c1ccc(cc1O)O)c2ccc(cc2)NC(C)=O,0.0
22773,CO-ADD:0215237,8.12,C(c(cc1)ccc1\C=N\c(ccc(c23)cccc2)c3)#Cc4ccccc4,0.0
22774,CO-ADD:0157467,8.12,BrC1=C(O)C(/C=N/C(C=C2)=CC=C2/N=C/C3=CC(Cl)=CC(Br)=C3O)=CC(Cl)=C1,0.0
22775,CO-ADD:0164646,8.12,CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]4[C@H](O)Cc5ccccc45.OS(=O)(=O)O,0.0
22776,CO-ADD:0164662,8.12,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO.Cl,0.0
22777,CO-ADD:0165042,8.12,CCCC(CCC)C(O)=O,0.0
22778,CO-ADD:0164502,8.11,NCC(O)c1ccc(O)c(O)c1.Cl,0.0
22779,CO-ADD:0218447,8.11,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(\C)/CC(C)=O,0.0
22780,CO-ADD:0217935,8.11,c1(c(cccc1Cl)Cl)\C=N\c(cc2)ccc2Oc(cc3)ccc3\N=C\c4c(cccc4Cl)Cl,0.0
22781,CO-ADD:0225728,8.11,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4ccccc4OC)=O,0.0
22782,CO-ADD:0165932,8.11,C(=O)(Oc1ccc(c2c1\C=N/NC(=O)c3ccc(cc3)C)cccc2)c4cccc(cccc5)c45,0.0
22783,CO-ADD:0165998,8.11,C(=O)(C\C(\C)=N\NC(COc(cc(C)c(c1)Br)c1Br)=O)Nc2ccccc2Br,0.0
22784,CO-ADD:0166693,8.11,C(C(OCC)=O)(=C(CSc1nc(CC)c(cc1C#N)C)OC(=C2C#N)N)C2c3cccc(c3)OCc4ccccc4,0.0
22785,CO-ADD:0166200,8.11,[N+](=O)([O-])c1ccc(cc1\C=N\NC(=O)c(c2)cc(cn2)Br)O,0.0
22786,CO-ADD:0166567,8.11,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
22787,CO-ADD:0215253,8.11,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])\C(\c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c23)=N\Nc(cc4)ccc4[N+](=O)[O-],0.0
22788,CO-ADD:0215458,8.11,C(=O)(N(C)c1ccccc1)C\C(\C)=N\NC(=O)C(c2ccccc2)c3ccccc3,0.0
22789,CO-ADD:0214978,8.11,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\NC(=O)c3ccc(cc3)OC,0.0
22790,CO-ADD:0157144,8.11,O=C(S/1)N(CNC2=C(C)C(Cl)=CC=C2)C(C1=C/C3=CC=C(I)C=C3)=O,0.0
22791,CO-ADD:0157176,8.11,O=C(N/N=C/C(C=CC=C1)=C1OCCCCCC)C(C=C2)=CC=C2OCC3=CC=CC=C3,0.0
22792,CO-ADD:0164872,8.11,COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC,0.0
22793,CO-ADD:0164446,8.11,Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1,0.0
22794,CO-ADD:0164888,8.11,CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0.0
22795,CO-ADD:0164462,8.11,CNCCCN1c2ccccc2CCc2ccccc12.Cl,0.0
22796,CO-ADD:0164377,8.11,[O-][N+](=O)c1cccc2c[nH]nc12,0.0
22797,CO-ADD:0164905,8.11,O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,0.0
22798,CO-ADD:0166500,8.11,N1(CNc(cc2)ccc2C(OCCCC)=O)C(=O)\C(\SC1=O)=C/c(cc3)ccc3C(OC)=O,0.0
22799,CO-ADD:0166457,8.11,C(=O)(N\N=C/c(ccc(c1OC)OC)c1)C(=O)NC(C)c2ccccc2,0.0
22800,CO-ADD:0165926,8.11,[N+](=O)([O-])c1ccccc1N\C=C\C(=O)c2ccc(cc2)OC,0.0
22801,CO-ADD:0166782,8.11,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c3c(c(c4)C1=O)c(ccc3)c(c4[N+](=O)[O-])Br,0.0
22802,CO-ADD:0166031,8.11,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(cc2)ccc2F,0.0
22803,CO-ADD:0166297,8.11,C(=O)(C(NCC=C)=O)Nc1cccc(Cl)c1Cl,0.0
22804,CO-ADD:0158289,8.11,O=C(CSCC1=CC=CC2=C1C=CC=C2)NC3=CC=CC=C3,0.0
22805,CO-ADD:0215843,8.11,c1(c(O)cc(c2c1)cccc2)C(=O)N\N=C(/C)\CC(=O)N(C(C)C)C(C)C,0.0
22806,CO-ADD:0214987,8.11,[N+](=O)([O-])c1cc(C)ccc1NC(O\N=C/C=N/OC(=O)Nc2ccc(cc2[N+](=O)[O-])C)=O,0.0
22807,CO-ADD:0217767,8.11,S(=O)(=O)(c1ccc(cc1)C)Nc(c2)cc3c(cccc3)n2,0.0
22808,CO-ADD:0215366,8.11,C(C(=O)OC(C)C)(C1c2ccc(cc2)F)=C(CSc3nc(C)c(c(C)c3C#N)C)OC(N)=C1C#N,0.0
22809,CO-ADD:0215230,8.11,c1(C#N)c2c(sc1\N=C\c3ccccc3I)CCCC2,0.0
22810,CO-ADD:0157879,8.11,[O-][N+](C1=C(O)C(/C=N/C2=CC(C3=NC(C=C4C)=C(C=C4)O3)=CC=C2)=CC(Cl)=C1)=O,0.0
22811,CO-ADD:0157791,8.11,[O-][N+](C1=CC=C(/C=N/NC(C2=CC(Cl)=CC=C2)=O)S1)=O,0.0
22812,CO-ADD:0157815,8.11,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C2=CC=CC=C2F,0.0
22813,CO-ADD:0157488,8.11,O=C(C1=CC=C(Br)C=C1)NC(C(OC)=C2)=CC=C2OC,0.0
22814,CO-ADD:0157492,8.11,O=C(NC1=CC(C)=C(C)C=C1)C(C=CC=C2)=C2Br,0.0
22815,CO-ADD:0157752,8.11,[O-][N+](C1=C(Cl)C=CC(/C=N/NC(C(C=C2)=CC=C2Br)=O)=C1)=O,0.0
22816,CO-ADD:0166784,8.11,N1(C(c2ccc(cc2)Cl)CC(c3ccc(cc3)OC)=N1)c4ccc(cc4Cl)Cl,0.0
22817,CO-ADD:0166260,8.11,c1(c(cccc1[N+](=O)[O-])C(OCCCC)=O)C(=O)Nc(cc2)ccc2C(C)=O,0.0
22818,CO-ADD:0215608,8.11,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)N\N=C\c(c(OC)ccc3[N+](=O)[O-])c3,0.0
22819,CO-ADD:0215641,8.11,c1(ccccc1O)C(=O)N\N=C(/C)\CC(=O)Nc2cc(C)ccc2OC,0.0
22820,CO-ADD:0215682,8.1,n1(CC2)c(C(N2CCC#N)CCC3)c3c4c1ccc(c4)C5CCCCC5,0.0
22821,CO-ADD:0215722,8.1,s1c(c(cc2)ccc2[N+](=O)[O-])nnc1NC(=O)c3cccc(Cl)c3,0.0
22822,CO-ADD:0215098,8.1,C(=C/NCc1ccccc1)(/C(=O)NC(N2)=S)\C2=O,0.0
22823,CO-ADD:0166191,8.1,c1(\C=N\NC(COc2c(C)cccc2C)=O)c(O)ccc(cccc3)c13,0.0
22824,CO-ADD:0217194,8.1,S(=O)(=O)(c1ccc(cc1)I)NC(CC(C)C)C(OC)=O,0.0
22825,CO-ADD:0217522,8.1,[N+](=O)([O-])c(cc1\C=N\NC(COc2cccc(C)c2)=O)cc(c1OC(=O)c3ccco3)Br,0.0
22826,CO-ADD:0217483,8.1,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])Br,0.0
22827,CO-ADD:0215174,8.1,C(=O)(c1ccc(cc1)OCCCC)OCC(=O)c2ccc(cc2)Cl,0.0
22828,CO-ADD:0215262,8.1,S(c1ccccc1)(=O)(=O)Nc2ccc(cn2)Cl,0.0
22829,CO-ADD:0217718,8.1,C(O)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2OCc(cc3)ccc3F,0.0
22830,CO-ADD:0217726,8.1,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c1c(OC)ccc(cccc2)c12,0.0
22831,CO-ADD:0157281,8.1,CCC1(CC)C(C=CC=C2)=C2NC(C3=CC=C4OCOC4=C3)O1,0.0
22832,CO-ADD:0157105,8.1,O=C(C1=CC=CC=C1Cl)N/C(C(N/N=C/C=C/C2=CC=CC=C2)=O)=C\C3=CC=CS3,0.0
22833,CO-ADD:0156977,8.1,O=C(NC1=NC(C)=CS1)C2=C(N)C(C3=C4CCCC3)=C(N=C4C)S2,0.0
22834,CO-ADD:0156993,8.1,N#CC1=C(SCC(NC(C=C2)=CC=C2C)=O)N=C(N)N=C1SC.Cl.Cl,0.0
22835,CO-ADD:0163091,8.1,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(NCCNC(=O)CN(c3ccccc3C)S(=O)(=O)c4ccc(cc4)C)=O,0.0
22836,CO-ADD:0163675,8.1,N1(CN2CCC(CC2)Cc3ccccc3)c(cccc4)c4\C(=N\c5cccc(C)c5C)\C1=O,0.0
22837,CO-ADD:0166257,8.1,c1(ccc(cc1Cl)Cl)C(=O)Nc(cc2)ccc2I,0.0
22838,CO-ADD:0166337,8.1,N1(CC2)C(=O)C(N2C(c3ccccc3)=O)CCCC(=O)c(cc(C)cc4)c14,0.0
22839,CO-ADD:0166310,8.1,C(=O)(N\N=C\c(cc1)ccc1C)C(=O)Nc(cc2)ccc2CCCC,0.0
22840,CO-ADD:0165899,8.1,C(=O)(Nc1cccc(I)c1)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O,0.0
22841,CO-ADD:0166566,8.1,[N+](=O)([O-])c(ccc(c1\C=N\c(ccc(c23)c4c(cccc4)o2)c3)O)c1,0.0
22842,CO-ADD:0217226,8.1,C(F)(F)(COc1ccccc1NC(=O)c2ccc(cc2)C)C(F)F,0.0
22843,CO-ADD:0217426,8.1,c1(c2ccccc2)oc(cn1)c3ccc(c(C)c3)C,0.0
22844,CO-ADD:0217704,8.1,[N+](=O)([O-])c(cc(N)cc1C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2NC(C)=O)c1,0.0
22845,CO-ADD:0215076,8.1,c1(ccc(C(=O)Oc2cccc(c2)\C=N\NC(=O)Cc3cccc(cccc4)c34)o1)[N+](=O)[O-],0.0
22846,CO-ADD:0215460,8.1,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2Cl)(=S)Nc3ccccc3F,0.0
22847,CO-ADD:0215218,8.1,N1\C(=N\N=C\c(cc2)ccc2OC)\S\C(=C\c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3)\C1=O,0.0
22848,CO-ADD:0217256,8.1,C(=O)(N\N=C\c(ccc(c1OCC)OCc2ccccc2)c1)C(=O)Nc3c(C)ccc(Cl)c3,0.0
22849,CO-ADD:0140031,8.1,O=[N+](C1=CC=CC=C1C2=CC=CC=C2NC3=C(C)C=C(C)C=C3C)[O-],0.0
22850,CO-ADD:0162908,8.1,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C\c2ccccc2,0.0
22851,CO-ADD:0162077,8.1,N1(c2ccccc2)CC(CC1=O)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
22852,CO-ADD:0162365,8.1,C(F)(F)(C(F)(F)F)C(F)(F)C(=O)NC(C)C(=O)[O-].[Na+],0.0
22853,CO-ADD:0161972,8.1,C(F)(F)(C(F)(F)F)C(F)(F)C(=O)Nc(cc(cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1C,0.0
22854,CO-ADD:0161988,8.1,N(\C(=C/c(cc1OCC)cc(c1OC(C)=O)Br)\C(O2)=O)=C2c3ccc(cc3)C,0.0
22855,CO-ADD:0161884,8.1,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C(/CC)\c2ccccc2,0.0
22856,CO-ADD:0158698,8.1,O=C(C1=CC=CC(F)=C1)N(C(C=CC=C2)=C2OCC)C3=NC(C(F)(F)F)=C(C(C=C4)=CC=C4F)S3,0.0
22857,CO-ADD:0158338,8.1,[O-][N+](C1=CC=C(C=C1)N(N=C/2C3=CC=CC=C3)C(C2=C/C4=CC=CS4)=O)=O,0.0
22858,CO-ADD:0157450,8.09,O=C(C1=CC=CC=C1)NC(C)(C)C(OCC(C2=CC=C(Br)C=C2)=O)=O,0.0
22859,CO-ADD:0157546,8.09,O=C(C1)N(C2=CC=CC=C2)CC1C(NCCC)=O,0.0
22860,CO-ADD:0157393,8.09,[O-][N+](C1=CC(/N=C/C2=CC([N+]([O-])=O)=CC=C2O)=C(C)C=C1)=O,0.0
22861,CO-ADD:0158399,8.09,BrC1=CC=C(C=C1)C2=NC(C=CC=C3)=C3N=C2C4=CC=C(Br)C=C4,0.0
22862,CO-ADD:0159895,8.09,O=C(NCC(N/N=C/C(C(O)=C1)=CC=C1O)=O)C2=CC=CO2,0.0
22863,CO-ADD:0160538,8.09,FC(C(F)(F)COC1=CC=CC=C1NC(C2=CC=CC(C)=C2)=O)(F)C(F)(F)C(F)F,0.0
22864,CO-ADD:0160354,8.09,O=C(CCCCCCC)N/N=C/C1=CC=C(SC2=C3N=CC=CC3=CC=C2)O1,0.0
22865,CO-ADD:0160562,8.09,O=C(N/N=C/C1=CC(CC2=CC=C(C(/C=N/NC(CCC3=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C3)=O)=C2)O)=CC=C1O)CCC4=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C4,0.0
22866,CO-ADD:0160402,8.09,O=S(NCC(NCC(NN=C1CCCC1)=O)=O)(C2=CC=CC=C2)=O,0.0
22867,CO-ADD:0154882,8.09,S=C(S/1)NC(C1=C/C2=CC=CO2)=O,0.0
22868,CO-ADD:0156367,8.09,O=S(N=C1NC(C(C)=C2)=CC=C2Cl)(C3=CC([N+]([O-])=O)=CC=C31)=O,0.0
22869,CO-ADD:0154830,8.09,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCC(N/N=C/C(C=C3)=CC=C3/C=N/NC(CNC(C(C4=CC=CC=C4)C5=CC=CC=C5)=O)=O)=O,0.0
22870,CO-ADD:0161900,8.09,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(C)c2)=O)N(CC)CC)c1,0.0
22871,CO-ADD:0161962,8.09,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
22872,CO-ADD:0162798,8.09,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(CSCc2ccccc2)C(=O)N\N=C(/C)\CC,0.0
22873,CO-ADD:0162890,8.09,C(=O)(N\N=C\c(cc1)ccc1Br)c(cc2)ccc2N(C)C,0.0
22874,CO-ADD:0162818,8.09,C(C(c1ccc(cc1)F)Nc2cccc(Cl)c2)C(=O)c3ccc(cc3)Br,0.0
22875,CO-ADD:0162922,8.09,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/c2ccccc2)\COC(=O)CC(c3ccccc3)NC(c4ccccc4)=O)[N+](=O)[O-],0.0
22876,CO-ADD:0157071,8.09,O=S(C1=CC(SC2=NC=CC=C2)=CC(NC(COC(C=CC=C3)=C3C)=O)=C1)(C4=CC=CC=C4)=O,0.0
22877,CO-ADD:0156975,8.09,O=C(CSC1=NC(C=CC=C2)=C2O1)N(C(C)=C3)N=C3C,0.0
22878,CO-ADD:0156961,8.09,NC(O1)=C(C(OCC)=O)C(C2=CC=CS2)C3=C1CCCC3=O,0.0
22879,CO-ADD:0158090,8.09,O=S(N/N=C/C1=CC=C(C=C1)OC(C2=CC=C(C=C2)[N+]([O-])=O)=O)(C3=CC=CC=C3)=O,0.0
22880,CO-ADD:0156930,8.09,O=C(N1)/C(C2=C1C=CC(Br)=C2)=N/NC(C3=NON=C3C)=O,0.0
22881,CO-ADD:0157719,8.09,OC1=C(CN2CCCCC2)C=C(COC)C3=CC=CN=C13,0.0
22882,CO-ADD:0160418,8.09,O=C(N/N=C/C1=CC=CC=C1OC)C(C=C2)=CC=C2NC(CCCCCC)=O,0.0
22883,CO-ADD:0159938,8.09,[O-][N+](C(C=C1)=CC=C1C2=CC=C(/C=N/NC(C3=CC(C=CC=C4)=C4C=C3O)=O)O2)=O,0.0
22884,CO-ADD:0159954,8.09,OC1=CC(/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCCCC4)=N2)=CC=C1O,0.0
22885,CO-ADD:0160466,8.09,C1(SCC2=CC=CC=C2)=NC(C=CC=C3)=C3N1,0.0
22886,CO-ADD:0160569,8.09,O=C(C1=CC(C(NC2=CC(C(/C=C/C3=CC(NC(C4=CC5=C(C=C4)C(N(C6=CC=CC=C6)C5=O)=O)=O)=CC=C3)=O)=CC=C2)=O)=CC=C71)N(C8=CC=CC=C8)C7=O,0.0
22887,CO-ADD:0160310,8.09,CC1=CC=CC(NC2=NC3=NON=C3N=C2NC4=CC=C(OC)C=C4)=C1,0.0
22888,CO-ADD:0154803,8.09,O=C(C(C=C1)=CC=C1NC(CC2=CC=CC=C2)=O)NC(C=C3)=CC=C3NC(CC4=CC=CC=C4)=O,0.0
22889,CO-ADD:0155458,8.09,ClC1=C(OC)C=CC(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=CC(Cl)=C4)=C1,0.0
22890,CO-ADD:0158631,8.09,O=C(C1=C2C=CC=C1)N(C3=CC(C(OCC(C)C)=O)=CC=C3)C2=O,0.0
22891,CO-ADD:0158531,8.09,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C2=CC3=C(C=C2Cl)OCO3,0.0
22892,CO-ADD:0156196,8.09,O=S(NC1=NC(C)=CC(C)=N1)(C(C=C2)=CC=C2/N=C/C3=C(O)C(OC)=CC=C3)=O,0.0
22893,CO-ADD:0156220,8.09,CC(C(C)=CC=C1)=C1NC2=NC3=NON=C3N=C2NC4=C(C)C=C(C)C=C4,0.0
22894,CO-ADD:0140029,8.09,CC1=CC=CC=C1NC2=CC=CC=C2C3=CC=CC=C3[N+]([O-])=O,0.0
22895,CO-ADD:0162123,8.09,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)C#N,0.0
22896,CO-ADD:0154320,8.09,NC1=C2C(CCCC2)=NC3=C1C(C4=CC(OC)=C(C(OC)=C4)OC)C5=C(O3)C=CC6=C5C=CC=C6,0.0
22897,CO-ADD:0162975,8.09,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(cc3)ccc3O,0.0
22898,CO-ADD:0162939,8.09,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(NCCC)=O,0.0
22899,CO-ADD:0162971,8.08,c1(O)c(OCC)cc(cc1Br)\C=N\NC(CNc(ccc(c23)cccc2)c3)=O,0.0
22900,CO-ADD:0162995,8.08,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c3cccc(Cl)c3,0.0
22901,CO-ADD:0156954,8.08,N#CC(C(C1=CC([N+]([O-])=O)=CS1)C(C2=O)=C(C3=CC=CC=C3O2)O4)=C4N,0.0
22902,CO-ADD:0157447,8.08,S=C(NC1=O)NC(C1=CC2=CC=C(C3=CC=C(Cl)C=C3)O2)=O,0.0
22903,CO-ADD:0158040,8.08,[O-][N+](C1=CC(C(N/N=C/C(C=CC=C2)=C2OCC=C)=O)=CC=C1)=O,0.0
22904,CO-ADD:0157667,8.08,S=C(NC1=O)NC(C1=CC2=CC=CC(Br)=C2)=O,0.0
22905,CO-ADD:0158067,8.08,O=C(N/N=C/C1=CC=CC=C1)CN(C)C2=CC=CC=C2,0.0
22906,CO-ADD:0157379,8.08,O=C(C1/C(C2=CC=CC(F)=C2)=N/NC(CC3=CC=CC=C3)=O)N(C4=CC=CC=C4)N=C1C,0.0
22907,CO-ADD:0160510,8.08,O=C(C1=C2[N+]([O-])=O)N(C3=CC=CC(C(OCCCCCCCCCC)=O)=C3)C(C1=CC=C2)=O,0.0
22908,CO-ADD:0160334,8.08,O=S(C(C=CC=C1)=C1[N+]([O-])=O)(OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)=O,0.0
22909,CO-ADD:0160534,8.08,O=C(N1CCCCC1)C(C(F)(F)F)C(F)(F)F,0.0
22910,CO-ADD:0160542,8.08,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1OC(C=C2)=CC=C2/C=N/C3=CC4=C(C=C3)OC(C(C=C5)=CC=C5C(C)(C)C)=N4)=O,0.0
22911,CO-ADD:0160558,8.08,O=C(CNC1=CC=C2C=CC=CC2=C1)N/N=C/C(C)=C/C(C=C3)=CC=C3/C=C(C)/C=N/NC(CNC4=CC=C5C=CC=CC5=C4)=O,0.0
22912,CO-ADD:0160398,8.08,O=C(N/N=C(C)/CC(NCC(C)C)=O)C(NCCOC)=O,0.0
22913,CO-ADD:0156513,8.08,O=C(NC1=CC=C(C=C1)C(NC2=CC=C(C=C2)C(NC3=CC=CC=C3C)=O)=O)C(C=CC=C4)=C4Br,0.0
22914,CO-ADD:0156145,8.08,O=C(N1C)/C(C2=C1C=CC=C2)=N\C3=C(C)C(C)=CC=C3,0.0
22915,CO-ADD:0156201,8.08,O=C(COC1=CC=C(CCCCC)C=C1)N/N=C/C2=CC(OC)=CC=C2O,0.0
22916,CO-ADD:0156496,8.08,[O-][N+](C1=CC=CC(NC(OCCC)=O)=C1)=O,0.0
22917,CO-ADD:0154759,8.08,O=C1/C(N=C(C(C=C2)=CC=C2C(C)(C)C)O1)=C/C3=C(C=CC=C4)C4=CC=C3,0.0
22918,CO-ADD:0163343,8.08,N(=C(/C)\c1ccc(cc1)CC)/NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
22919,CO-ADD:0163367,8.08,c(\C=N\NC(COc1ccc(cc1Br)OC)=O)(cc(Br)cc2Br)c2O,0.0
22920,CO-ADD:0163375,8.08,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc2ccc(cc2Br)OC)=O,0.0
22921,CO-ADD:0163480,8.08,C(=O)(N\N=C\c(ccc(c1OCC(O)=O)OCC(O)=O)c1)c2ccc(cc2)Br,0.0
22922,CO-ADD:0163488,8.08,C(=N\NC(=O)c1cccc(O)c1)(/c(cc(C)cc2)c2N3C)\C3=O,0.0
22923,CO-ADD:0163976,8.08,C(=O)(NC(C)c1ccccc1)C(=O)Nc2cccc(C)c2,0.0
22924,CO-ADD:0163045,8.08,N1(c2ccc(cc2)NC(COc3ccccc3C)=O)C(=O)c(c4C1=O)ccc(c4)[N+](=O)[O-],0.0
22925,CO-ADD:0164001,8.08,O=C(N(CC1C)OC1=O)OCC2=CC=CC=C2,0.0
22926,CO-ADD:0158076,8.08,O=C(C1=CC=C(Br)C=C1)OC(C=C2)=CC=C2/C=N/N3C=NN=C3,0.0
22927,CO-ADD:0155701,8.08,O=C(NNC(O[C@H](CO)[C@H]1O)[C@@H](O)[C@H]1O)C(C=CC=C2)=C2O,0.0
22928,CO-ADD:0155053,8.08,NC1=NON=C1N2C(COC(C)=O)=CN=N2,0.0
22929,CO-ADD:0155213,8.08,O=C(C1=CC=CC=C1)NC2=CC=C(C(C=C3)=C2)OC3=O,0.0
22930,CO-ADD:0158077,8.08,O=C1C2C(C3(C)OC2C=C3)C(N1C(C=C4)=CC=C4[N+]([O-])=O)=O,0.0
22931,CO-ADD:0159942,8.07,O=C1OC(C2=CC=CC=C2C)=N/C1=C\C(C=C3)=CC=C3C,0.0
22932,CO-ADD:0160430,8.07,FC(C(NC1=CC=CC(Br)=C1)=O)(C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F,0.0
22933,CO-ADD:0160457,8.07,BrC1=CC=C(C=C1)/C=N\C2=CC=C(C=C2)C3(C(C=C4)=CC=C4/N=C\C(C=C5)=CC=C5Br)C6=CC=CC=C6C7=CC=CC=C37,0.0
22934,CO-ADD:0156006,8.07,O=S(C(C=C1)=CC=C1NC(C(C(O2)=O)=CC3=C2C=CC=C3)=O)(N)=O,0.0
22936,CO-ADD:0155959,8.07,O=C(NC(C=C1)=CC=C1OCCCCCCCCCC)N2CC(OC(C)C2)C,0.0
22937,CO-ADD:0155781,8.07,O=C(CC)NC1=NN=C(CC2=NN=C(NC(CC)=O)S2)S1,0.0
22938,CO-ADD:0156277,8.07,O=C(C)NC1=CC=C(C=C1)/N=C/C2=C(O)C(Cl)=CC(Br)=C2,0.0
22939,CO-ADD:0156417,8.07,[O-][N+](C(C=C1)=CC=C1C(OC2=CC(C([H])=O)=CC=C2)=O)=O,0.0
22940,CO-ADD:0156082,8.07,O=C1OC(C(C=CC=C2)=C2Cl)=N/C1=C/C3=CC=C(C(OCC)=C3)OC(C)=O,0.0
22941,CO-ADD:0156466,8.07,OC1=C(C=CC=C1)/C=N/C2=CC(N=C(C3=CC(C)=C(C)C=C3)O4)=C4C=C2,0.0
22942,CO-ADD:0156362,8.07,O=C(/C(C1=C2C(C)=CC(Br)=C1)=N\NC(C3=CC=C(Cl)C=C3)=O)N2C,0.0
22943,CO-ADD:0156451,8.07,O=C(OC)C(C=C1)=CC=C1/C=N/C2=CC=C(C=C2)C(S3)=NC4=C3C=CC(C)=C4,0.0
22944,CO-ADD:0156467,8.07,ClC1=C(C=C(Cl)C=C1)C2=NC(C=C3/N=C/C4=C(O)C=CC(Br)=C4)=C(C=C3)O2,0.0
22945,CO-ADD:0156491,8.07,OCCN1N=NC(C2=CC=CC=C2)=N1,0.0
22946,CO-ADD:0156363,8.07,[O-][N+](C(C=C1)=CC=C1C2=CC=C(/C=N/N(C)C)O2)=O,0.0
22947,CO-ADD:0156307,8.07,O=C1/C(C2=CC(Br)=CC=C2N1)=N/NC(COC3=C(Br)C=C(OC)C=C3)=O,0.0
22948,CO-ADD:0158719,8.07,O=S1(N=C(C2=C1C=CC=C2)N(C)CCOC(C3=CC=CC=C3)=O)=O,0.0
22949,CO-ADD:0163779,8.07,C(COc1ccc(cc1C)Br)(=O)N\N=C(/C)\CC(NCCc(ccc(c2OC)OC)c2)=O,0.0
22950,CO-ADD:0163924,8.07,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c3ccccc3,0.0
22951,CO-ADD:0163437,8.07,c1(\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c(OCC)ccc(cccc4)c14,0.0
22952,CO-ADD:0163461,8.07,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(=O)c(ccc(c34)OCCO3)c4)o1,0.0
22953,CO-ADD:0163485,8.07,N(\C(=C\c(cccc1[N+](=O)[O-])c1)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
22954,CO-ADD:0163981,8.07,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)C)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4[N+](=O)[O-],0.0
22955,CO-ADD:0163238,8.07,C1(=O)N(\N=C\c2ccccc2)C(C)=CC(C)=C1C(N)=O,0.0
22956,CO-ADD:0157725,8.07,O=C(COC1=CC=CC=C1C)N/N=C/C2=CN(C3=C2C=CC=C3)C,0.0
22957,CO-ADD:0156901,8.07,O=C(C1=CC=C(Cl)C=C1)N(C(C=CC=C2)=C2OCC)C3=NC(C(F)(F)F)=C(C4=CC=C(F)C=C4)S3,0.0
22958,CO-ADD:0156917,8.07,O=C(NC1=CC=C(OC)C=C1)C2=C(N)C(C(S2)=NC(C)=C3)=C3C(F)(F)F,0.0
22959,CO-ADD:0156925,8.07,O=C(OCC)C1=C(NC(CSC2=NC3=C(N=CN3)C(N)=N2)=O)SC4=C1CCCC4,0.0
22960,CO-ADD:0157657,8.07,N#CC1=C(SCC(NC2=C(I)C=C(C)C=C2)=O)N=C(C3=CC=CS3)C=C1C4=CC=C(Cl)C=C4,0.0
22961,CO-ADD:0157681,8.07,[O-][N+](C1=CC(C)=CC(C2=CC=C(C=C3C(NC(NC3=O)=O)=O)O2)=C1C)=O,0.0
22962,CO-ADD:0155967,8.07,[O-][N+](C(C=C1)=CC=C1C(NCCCN2C=NC=C2)=O)=O.Cl,0.0
22963,CO-ADD:0155991,8.07,[O-][N+](C1=CC=CC(C(N/N=C/C2=CC=C(O2)SC3=NC(C=C4)=C(C=C4[N+]([O-])=O)S3)=O)=C1)=O,0.0
22964,CO-ADD:0161469,8.07,N1C(=O)\C(\SC1=O)=C/c2cccc(OC)c2,0.0
22965,CO-ADD:0160669,8.07,O=S(C(C=C1)=CC=C1NC(C2=CC=CO2)=O)(C(C=C3)=CC=C3NC(C4=CC=CO4)=O)=O,0.0
22966,CO-ADD:0160126,8.07,[O-][N+](C1=C(O)C(/C=N/C2=C(C(C=C3OC)=CC=C3O)N=C4N2C=CC=C4)=CC=C1)=O,0.0
22967,CO-ADD:0160547,8.07,O=C(CC(C1=CC=CC=C12)=CC=C2Br)N/N=C(C)/C3=C4C(C5=CC=C4)=C(CC5)C=C3,0.0
22968,CO-ADD:0156378,8.07,[O-][N+](C1=C(C=CC=C1)C(N=C2C3=CC=CC=C3)=NC4=C2C=CC=C4)=O,0.0
22969,CO-ADD:0156189,8.07,O=C(N/N=C/C1=CC(C=CC=C2)=C2C=C1)COC3=C(C(C)C)C=CC(C)=C3,0.0
22970,CO-ADD:0156430,8.07,ClC1=CC(Cl)=CC(/C=N/C2=CC=C3CCC4=CC=CC2=C43)=C1O,0.0
22971,CO-ADD:0156410,8.07,[O-][N+](C1=CC(/C(C(N2)=O)=N/NC(C3C(C4=CC=CC=C4)(C5=CC=CC=C5)C3)=O)=C2C=C1)=O,0.0
22972,CO-ADD:0158726,8.07,O=C(C1=CC=CO1)N(CC2)C(C3=CC(OCO4)=C4C=C3)C5=C2C(C=CC=C6)=C6N5,0.0
22973,CO-ADD:0158774,8.07,O=C(COC1=CC=C(F)C=C1)N/N=C/C2=CC=NC=C2,0.0
22974,CO-ADD:0158767,8.07,O=C(N/N=C/C1=C(OC)C=C(OC)C(OC)=C1)C(C)OC(C=C2)=CC=C2OCCCCC,0.0
22975,CO-ADD:0158775,8.06,O=C(COC1=CC=C(F)C=C1)N/N=C/C2=CN(C3=CC=CC=C3)N=C2C4=CC=CC=C4.CC(=O)O,0.0
22976,CO-ADD:0155643,8.06,O=C(C1=C2C=CC(OC(C=C3)=CC=C3N)=C1)N(C(C=C4)=CC=C4C(O)=O)C2=O,0.0
22977,CO-ADD:0155832,8.06,[O-][N+](C1=C(C)C(C2=CC=C(/C=C3SC4=C(C=CC=C4)C/3=O)O2)=CC(C)=C1)=O,0.0
22978,CO-ADD:0155576,8.06,N#CC1=C(C)C(/C=N/C2CCCCC2)=C(O)N3C1=NC4=C3C=CC=C4,0.0
22979,CO-ADD:0155817,8.06,O=C1C2=C(CC(C3=CC=C(OCCCC)C=C3)C1)C(C4=C5C=CC=C4)=C(C=C5)NC2C6=CC(OCO7)=C7C=C6,0.0
22980,CO-ADD:0162343,8.06,C(=O)(c1ccc(cc1)NC(CCCCCCC)=O)Nc2cc(C)ccc2C,0.0
22981,CO-ADD:0162648,8.06,c(C(=O)c1ccc(cc1)Cl)(c2N)sc3c2cc(c(C)n3)C(C)=O,0.0
22982,CO-ADD:0162568,8.06,[N+](=O)([O-])c1ccc(cc1SCCO)N2CCCCC2,0.0
22983,CO-ADD:0162672,8.06,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC(OCc3ccccc3)=O)c4ccccc4,0.0
22984,CO-ADD:0162267,8.06,c1(N(CC2)CCO2)nc(N\N=C/c(cc(I)cc3I)c3O)nc(Nc4cccc(Br)c4)n1,0.0
22985,CO-ADD:0162700,8.06,c1(Cl)c(ccc(Cl)c1)OCC(=O)Nc(cc2)ccc2C(C)=O,0.0
22986,CO-ADD:0157721,8.06,O=C(COC1=CC=CC=C1C)N/N=C/C2=C(O)C(Br)=C(O)C(Br)=C2C,0.0
22987,CO-ADD:0158108,8.06,O=S(N(CC(N/N=C/C1=CC=CC=C1OCCCC)=O)C(C=CC=C2)=C2OC)(C3=CC=CC=C3)=O,0.0
22988,CO-ADD:0155710,8.06,O=C(C(C=C1)=CC=C1C)NC2=NN=C(C(F)(F)F)S2,0.0
22989,CO-ADD:0155734,8.06,BrC1=CC2=C(C=C1)N=C(/N=C/C3=CC(OC)=CC=C3)S2,0.0
22990,CO-ADD:0155230,8.06,BrC1=CC=C(C=C1)N(C(C2=CC=CS2)C3)N=C3C(C=C4)=CC=C4F,0.0
22991,CO-ADD:0160395,8.06,[O-][N+](C(C=C(Cl)C=C1)=C1NC(CCC(N/N=C/C2=CC([N+]([O-])=O)=CC=C2)=O)=O)=O,0.0
22992,CO-ADD:0160319,8.06,O=C(NC1=CC=C(OC)C=C1)C(CC(C(C)(C)C)C2)CC2C(C)(C)C,0.0
22993,CO-ADD:0160181,8.06,O=C(C(C=CC=C1)=C1C)NC2=C(C(OCC)=O)C(C3=CC=CC=C3)=CS2,0.0
22994,CO-ADD:0161134,8.06,C(=O)(N\N=C\c1ccccc1OCC#C)c2ccc(cc2)OCC=C,0.0
22995,CO-ADD:0160167,8.06,O=S(NC1=CC=C(C=C1)C2=NC(C=C3)=C(C=C3C)S2)(CCCCCCCC)=O,0.0
22996,CO-ADD:0156033,8.06,FC(C(F)(F)COC1=C(C=CC=C1)NC(C(C=CC=C2)=C2OC)=O)(F)C(F)(F)C(F)F,0.0
22997,CO-ADD:0161379,8.06,N1(c2ccccc2)C(C(C)(C)O)CC(c3ccccc3)=N1,0.0
22998,CO-ADD:0161387,8.05,C(=O)(Nc1ccc(cn1)Cl)c2ccccc2SCc3ccccc3,0.0
22999,CO-ADD:0161419,8.05,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(c(cc2)ccn2)=O,0.0
23000,CO-ADD:0162096,8.05,S(=O)(=O)(c1ccc(cc1)Oc2ccccc2)c(cc3)ccc3C(=O)Nc(cc4)ccc4OC,0.0
23001,CO-ADD:0162078,8.05,N1(C2CCCCC2)CC(CC1=O)C(=O)Nc(cccc3[N+](=O)[O-])c3,0.0
23003,CO-ADD:0155591,8.05,CC1=NN(C2=CC=CC=C2)C(/N=C/C3=CC(Br)=CC=C3O)=C1C4=CC(Br)=CC=C4,0.0
23004,CO-ADD:0156244,8.05,O=C(C(C=C1)=CC=C1F)OC2=C(Cl)C=CC(OC(C(C=C3)=CC=C3F)=O)=C2,0.0
23005,CO-ADD:0155788,8.05,O=C(NC1=CC=C(O)C=C1)/C(NC(C)=O)=C/C2=CC=CC=C2,0.0
23006,CO-ADD:0155796,8.05,O=C(SC1=NC(C=CC=C2)=C2S1)C3=CNC4=CC=CC=C34,0.0
23007,CO-ADD:0155804,8.05,O=S(N/N=C/C(C)=C/C1=CC(OCO2)=C2C=C1)(C3=CC=C(CCCl)C=C3)=O,0.0
23008,CO-ADD:0158776,8.05,O=C(N/N=C/C1=CC=CC(Cl)=C1)C(O)C2=CC=C(Br)C=C2,0.0
23009,CO-ADD:0162620,8.05,c1(C#N)c(c2cccs2)c3c(nc1SCc(ccc(c4Cl)Cl)c4)CCC3,0.0
23010,CO-ADD:0162636,8.05,c1(c(C)nn2c3ccccc3)c2OC(N)=C(C#N)C14c5c(NC4=O)cccc5,0.0
23011,CO-ADD:0162732,8.05,C(F)(F)(F)c1cccc(c1)NC(=O)Nc2c(C)ccc(c2)NC(=O)Nc(cccc3C(F)(F)F)c3,0.0
23012,CO-ADD:0162173,8.05,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O,0.0
23013,CO-ADD:0162189,8.05,C(CNc1cccc(C)c1)(=O)N\N=C\c2ccccc2O,0.0
23014,CO-ADD:0162681,8.05,C1(C#N)=C(c2ccc(cc2)OC)C3=C(CCCC3)NC1=S,0.0
23015,CO-ADD:0156950,8.05,O=C(C)N(C1(CCCC1)O2)N=C2C(C=C3)=CC=C3C(C)(C)C,0.0
23016,CO-ADD:0157438,8.05,O=C(CCCC)N/N=C/C1=CC=C(SC2=CC=CC3=C2N=CC=C3)O1,0.0
23017,CO-ADD:0155671,8.05,OC(C(OC)=CC=C1)=C1/C=N/C2=CC(N=C(C3=CC=CC(Cl)=C3)O4)=C4C=C2,0.0
23018,CO-ADD:0155047,8.05,[O-][N+](C1=CNN=C1C2=CN(C(N=C2)=N3)N=C3N)=O,0.0
23019,CO-ADD:0155055,8.05,O=C(O)CCC1=NC(C2=CC=C(Cl)C=C2)=NO1,0.0
23020,CO-ADD:0160623,8.05,O=S(C1=C([N+]([O-])=O)N=C(C)N1CC2=CC=CC=C2)(CC(N)=O)=O,0.0
23021,CO-ADD:0160631,8.05,O=C(NC1=CC=C(C(C)=C1)C)C2C(C)(C)C(CC2)(C)C(O)=O,0.0
23022,CO-ADD:0160144,8.05,[O-][N+](C(C=CC=C1)=C1NC(COC(C=C2)=CC=C2OC)=O)=O,0.0
23023,CO-ADD:0160160,8.05,[O-][N+](C(C=C(C=C1)[N+]([O-])=O)=C1N/N=C/C(C)=C/C(C=C2)=CC=C2Cl)=O,0.0
23024,CO-ADD:0160600,8.05,O=S(NC(NC1=CC=CC=C1)=O)(C(CC2)CS2(=O)=O)=O,0.0
23025,CO-ADD:0161396,8.05,N1(c2ccc(c3c2)cccc3)C(=O)c(c(c4)C1=O)ccc4S(=O)(=O)c5ccc(cc5)Sc(ccc(c6C)C)c6,0.0
23026,CO-ADD:0161236,8.05,c(C(F)(F)F)(c(F)c1F)c(F)c(c1Sc2nc(C)cc(C)n2)F,0.0
23027,CO-ADD:0161215,8.05,c12c(c3c(cccc3)[nH]1)nnc(SCC(NCCO)=O)n2,0.0
23028,CO-ADD:0161407,8.05,C(=N/NC(CNc(ccc(c12)cccc1)c2)=O)(/C3=O)\c(cc(Br)cc4Br)c4N3,0.0
23029,CO-ADD:0161439,8.05,n1c(c2ccc(cc2)Cl)csc1Nc(cc3)ccc3C.Br,0.0
23030,CO-ADD:0162948,8.05,C(=O)(C(NCCc(cc1)ccc1F)=O)Nc2ccccc2CC,0.0
23031,CO-ADD:0158765,8.05,O=C(N/N=C/C1=CC=C(I)O1)COC(C(Br)=C2)=C(Br)C=C2OC,0.0
23032,CO-ADD:0158731,8.05,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC(C=C3)=C(OC)C=C3C4=CC(OC)=C(C=C4)NC(C(C5=CC=CC=C5)C6=CC=CC=C6)=O,0.0
23033,CO-ADD:0158779,8.05,O=C(N/N=C/C1=CC=CC(OCC2=CC=CC(Br)=C2)=C1)C(OC3=CC=CC=C3)OC4=CC=CC=C4,0.0
23034,CO-ADD:0155760,8.05,O=C(NCCCCNC(C(C=C1)=CC=C1I)=O)C2=CC=C(I)C=C2,0.0
23035,CO-ADD:0155794,8.05,O=C(O)C1=CC=CC(NC(CSC2=NC(C=CC=C3)=C3S2)=O)=C1,0.0
23036,CO-ADD:0162705,8.04,C(C(=O)N\N=C\c(cc1)ccc1OC)C(=O)N\N=C\c(cc2)ccc2OC,0.0
23037,CO-ADD:0162297,8.04,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c(cc2)ccc2C(O)=O,0.0
23038,CO-ADD:0162662,8.04,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)CC(OC(C)C)=O)c3ccc(cc3)Br,0.0
23039,CO-ADD:0162582,8.04,c1(\C=N\NC(COc(cc2)ccc2OC)=O)cc(Br)ccc1OC,0.0
23040,CO-ADD:0162196,8.04,C(Cc1ccccc1)(C(=O)N\N=C\c2ccccc2Br)C(=O)N\N=C\c3ccccc3Br,0.0
23041,CO-ADD:0162653,8.04,c(C#N)(cc(C(C)=O)c(n1)C)c1SCC(=O)C(C)(C)C,0.0
23042,CO-ADD:0163246,8.04,N1\C(=N/N=C/c2ccccc2)\S\C(=C\c(ccc3c4ccc(cc4Cl)[N+](=O)[O-])o3)\C1=O,0.0
23043,CO-ADD:0163302,8.04,c1(c(O)c(\C=N\NC(CNC(=O)c2cccc(F)c2)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
23044,CO-ADD:0163622,8.04,C(COc1ccc(cc1Br)OC)(=O)N\N=C(/C)\C=C\c2ccccc2,0.0
23045,CO-ADD:0155183,8.04,O=C1N(/N=C/C(C=CC=C2)=C2Cl)C(C)=NC(C=C3)=C1C=C3Br,0.0
23046,CO-ADD:0155000,8.04,NC1=C(C(C2(CC3C4)C[C@@H]4CC(C3)C2)=O)SC5=C1C(C6=CN=CC=C6)=C7CCCC7=N5,0.0
23047,CO-ADD:0155696,8.04,CC(NC1=C2C=CC=C1)=C2/C=N\NC3=NC(N4CCOCC4)=NC(NC5=CC(Br)=CC=C5)=N3,0.0
23048,CO-ADD:0155216,8.04,O=C(C1=CC=CC(C)=C1)NC2=NN=C(C(C=C3)=CC=C3C)S2,0.0
23049,CO-ADD:0155745,8.04,O=C(C1=C2C=CC(C(OC)=O)=C1)N(C(C=C3)=CC=C3C(OC)=O)C2=O,0.0
23050,CO-ADD:0160488,8.04,O=C(O)C1=C(C)N=[N+]2N1[N-]C(C)=C2C(O)=O,0.0
23051,CO-ADD:0159872,8.04,O=C(OCC)C1=C(NC(CCC(O)=O)=O)SC(C)=C1C,0.0
23052,CO-ADD:0159896,8.04,O=S(C1=CC(C(O)=O)=C(Cl)C=C1)(NC2=CC=C(C)C=C2)=O,0.0
23053,CO-ADD:0160025,8.04,ClC(C=C1)=C(C=C1/N=C\C2=CC(Br)=CC=C2O)C3=NC(C=C4)=C(C=C4C)O3,0.0
23054,CO-ADD:0160065,8.04,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C(C(O)=C3)=CC=C3O)=NC(N(CCCC)CCCC)=N2)=O,0.0
23055,CO-ADD:0160009,8.04,IC1=CC(I)=CC(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=C(C)C=C4)=C1O,0.0
23056,CO-ADD:0161791,8.04,N(=C(/C)\c1ccc(cc1)Br)/NC(CNc(cc2)ccc2OC)=O,0.0
23057,CO-ADD:0161200,8.04,C12(c(ccc(c3)N(CC)CC)c3Oc4c1ccc(c4)N(CC)CC)c5c(C(=O)N2c6ccccc6)cccc5,0.0
23058,CO-ADD:0162993,8.04,c1(C(=O)N\N=C\c2cc(C)ccc2O)nn(c(c3ccccc3)n1)c4ccccc4,0.0
23059,CO-ADD:0161224,8.04,N1(c2ccccn2)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
23060,CO-ADD:0161377,8.04,C(C(OCC)=O)(C1c2ccccc2C(F)(F)F)=C(c3ccccc3)OC(N)=C1C#N,0.0
23061,CO-ADD:0156264,8.04,[O-][N+](C1=CC=CC(/C=N/C2=CC=C(C(Cl)=C2)OC)=C1)=O,0.0
23062,CO-ADD:0155151,8.04,N#CCC(N/N=C1C2=CC=CC=C2CCC/1)=O,0.0
23063,CO-ADD:0155864,8.04,O=C(C(C=CC=C1)=C1OC)N(C2=CC=C(OCC)C=C2)C3=NC(C(C=C4)=CC=C4OC)=C(C5=CC=CC=C5)S3,0.0
23064,CO-ADD:0155112,8.04,N#CC(C(SCC(C1=CC=C(Cl)C=C1)=O)=NC(C)=C2)=C2C(F)(F)F,0.0
23065,CO-ADD:0155128,8.03,[O-][N+](C1=C(O)C(/C=N/NC(C2=CC=C3C=CC=CC3=N2)=O)=CC(Cl)=C1)=O,0.0
23066,CO-ADD:0162726,8.03,c1(cc(Br)ccc1O)\C=N/c(cc2)ccc2Oc(cc3)ccc3C(C)(C)c4ccc(cc4)Oc(cc5)ccc5\N=C/c6cc(Br)ccc6O,0.0
23067,CO-ADD:0162674,8.03,c(C#N)(c1c2cccs2)c(SCc(cc3)ccc3F)nc(N)c1C#N,0.0
23068,CO-ADD:0162682,8.03,C(C(OCCOC)=O)(C1c2ccc(cc2)Br)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
23069,CO-ADD:0162634,8.03,C12(c3c(NC1=O)cccc3)C(C(OC)=O)=C(C)OC(N)=C2C(OCCOC)=O,0.0
23070,CO-ADD:0162559,8.03,N1(c2ccc(cc2)OC(C)=O)C(=O)CC(N(CC3)CCN3c4ccccc4)C1=O,0.0
23071,CO-ADD:0155225,8.03,O=C(NCCC(C1=CC=CC=C1)C2=CC=CC=C2)NC(C=C3F)=C(Cl)C=C3F,0.0
23072,CO-ADD:0155329,8.03,NC1=NON=C1C2=NN=C(N)S2,0.0
23073,CO-ADD:0155690,8.03,[O-][N+](C1=CSC(/C=N/NC(C2=CC=C(OCCC)C=C2)=O)=C1)=O,0.0
23074,CO-ADD:0155291,8.03,O=C(CCCC)NC1=NC=CS1,0.0
23075,CO-ADD:0158395,8.03,O=C(/C=C\C1=CC=CC=C1)C2=CC=C(C)O2,0.0
23076,CO-ADD:0158419,8.03,O=C(CCC1=CC=CC=C1)NC(C=C2)=CC=C2OCC,0.0
23077,CO-ADD:0160021,8.03,[O-][N+](C1=CC(/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N(CC)CC)=N2)=CC=C1O)=O,0.0
23078,CO-ADD:0160037,8.03,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=C(O)C=CC(Br)=C3)=NC(N4CCOCC4)=N2)=O,0.0
23079,CO-ADD:0159897,8.03,O=S(C1=C(C)C=CC(C(NC2=CC(C(O)=O)=CC=C2)=O)=C1)(NC3=CC=C(C)C=C3)=O,0.0
23080,CO-ADD:0159738,8.03,O=C(C1=CC([N+]([O-])=O)=CC=C21)N(C3=CC(C(O)=O)=C(O)C=C3)C2=O,0.0
23081,CO-ADD:0160093,8.03,NC1=NON=C1/C(NC(C=CC=C2)=C2OC)=N/OC,0.0
23082,CO-ADD:0161463,8.03,c(Oc1ccccc1)(nc(Oc2ccccc2)nc3Oc4ccccc4)n3,0.0
23083,CO-ADD:0161853,8.03,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)N(C)C)c1,0.0
23084,CO-ADD:0163865,8.03,C(=O)(c1cccc(F)c1)Nc2cccc(Cl)c2C,0.0
23085,CO-ADD:0163881,8.03,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)Nc(cc4)ccc4Br,0.0
23086,CO-ADD:0162549,8.03,N1C(c2ccc(c(OC)c2)C)SCC1C(O)=O,0.0
23087,CO-ADD:0163169,8.03,c1(CSCC(=O)Nc(ccc(c23)cccc2)c3)c(C)ccc(cccc4)c14,0.0
23088,CO-ADD:0163810,8.03,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(cc2)ccc2Br,0.0
23089,CO-ADD:0158412,8.03,O=C(C(C=C1)=CC=C1NC(CCCCCCCCC)=O)NC2=CC=CC=C2OCC,0.0
23090,CO-ADD:0155107,8.03,N#CC(C(SCC(C1=CC=C(C)C=C1)=O)=NC(C)=C2)=C2C(F)(F)F,0.0
23091,CO-ADD:0155132,8.03,O=C(C1=CC=CC=C1)OC(C=C2)=CC=C2/C=N/NC(C3=CC=NC=C3)=O,0.0
23092,CO-ADD:0156235,8.03,O=C(N(C)C1=CC=CC=C1)C/C(C)=N/NC(COC2=CC=C(OC)C=C2)=O,0.0
23093,CO-ADD:0155091,8.03,N#CC([C@H](C1=CC(I)=CC=C1)[C@H]2C(C3=CC=CC=C3)=O)(C#N)[C@]4([H])N2C(C=CC(Cl)=C5)=C5C=C4,0.0
23094,CO-ADD:0155175,8.03,O=C(C1=CC=C(Cl)C=C1)N(C(C2=CC=CC=C2)(O)C3)N=C3C(F)(F)F,0.0
23095,CO-ADD:0162655,8.02,c(C#N)(cc(C(C)=O)c(n1)C)c1SCc2ccccc2F,0.0
23096,CO-ADD:0162599,8.02,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(CSc3nc(CC)c(cc3C#N)C)OC(N)=C1C#N,0.0
23097,CO-ADD:0162178,8.02,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)cc(c4OC(c5ccccc5)=O)OCC,0.0
23098,CO-ADD:0162287,8.02,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(ccc2c3ccc(cc3)Cl)o2,0.0
23099,CO-ADD:0162427,8.02,N1(c2ccc(cc2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)OC(C)C,0.0
23100,CO-ADD:0162851,8.02,C(=O)(Nc(ccc(c1Cl)C)c1)C\C(\C)=N\NC(CCCC)=O,0.0
23101,CO-ADD:0158467,8.02,O=S(C(C=C1)=CC=C1NC(C2=CC=C(C=C2)[N+]([O-])=O)=O)(C3=CC=CC=C3)=O,0.0
23102,CO-ADD:0155282,8.02,[O-][N+](C1=C(O)C(/C=N\C2=CC(C3=NC(C=C4C)=C(C=C4C)O3)=C(O)C=C2)=CC(Cl)=C1)=O,0.0
23103,CO-ADD:0155290,8.02,[O-][N+](C(C=C1)=CC=C1NC(CSCC(NC2=CC=C3C=CC=CC3=C2)=O)=O)=O,0.0
23104,CO-ADD:0155338,8.02,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1N2CCN(CCO)CC2)=O,0.0
23105,CO-ADD:0155259,8.02,O=C1C(C(NCC2=CC=CC=C2)=O)=CC=CN1CC3=CC=CC=C3,0.0
23106,CO-ADD:0155684,8.02,O=P(/C(C(OCC)=O)=N/NC1=CC=CC=C1[N+]([O-])=O)(OC)/N=C2N(C3=C(C=CC=C3)[N+]([O-])=O)N=C(C(OCC)=O)S\2,0.0
23107,CO-ADD:0160240,8.02,[O-][N+](C1=C(OCC(NC2=C(C)C=C(C)C=C2)=O)C(Cl)=CC(Cl)=C1)=O,0.0
23108,CO-ADD:0160137,8.02,BrC1=CC=C(C=C1)C2=CSC(N/N=C(C)\C3=CC=C(Br)C=C3)=N2,0.0
23109,CO-ADD:0160209,8.02,ClC1=C(C=C(Cl)C=C1)C2=CC=C(/C=N/C3=CC=C4C(N=C(C(C=C5)=CC=C5C)O4)=C3)O2,0.0
23110,CO-ADD:0160122,8.02,O=C(O1)C=C(OC)C21CCCCC2,0.0
23111,CO-ADD:0160154,8.02,O=C(COC1=CC=C(CCCC)C=C1)N/N=C/C2=CC=CC(Br)=C2,0.0
23112,CO-ADD:0156028,8.02,O=C(N1C)/C(C2=C1C=CC=C2)=N\NC(COC3=CC=C(C)C=C3)=O,0.0
23113,CO-ADD:0163136,8.02,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(cc2)ccc2O,0.0
23114,CO-ADD:0163160,8.02,N1=C(c2ccc(cc2)Cl)CC(c3ccccc3)N1c4ccccc4,0.0
23115,CO-ADD:0163200,8.02,[N+](=O)([O-])c(cc1)ccc1C(=O)NNC(=O)c2ccc(cc2)OCCOCCOc(cc3)ccc3C(=O)NNC(=O)c(cc4)ccc4[N+](=O)[O-],0.0
23116,CO-ADD:0163885,8.02,N1(c2ccc(cc2)Br)C(=O)c(c3C1=O)cc4c(cccc4)c3,0.0
23117,CO-ADD:0163157,8.02,C(F)(F)(COc1ccccc1NC(=O)C(=O)N\N=C\c2cccc(Cl)c2O)C(F)F,0.0
23118,CO-ADD:0163605,8.02,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])N(C)CC(=O)OCC(c2ccccc2)=O,0.0
23119,CO-ADD:0155919,8.02,O=C(C1)N(C(C=C2)=CC=C2Br)CC1C(NC3=CC=CC(Cl)=C3)=O,0.0
23120,CO-ADD:0155873,8.02,O=C(N(C1CCCCC1)C2CCCCC2)C(C=CC=C3)=C3C(NC(CC(C)C)C(OCCC)=O)=O,0.0
23121,CO-ADD:0155897,8.02,N#CC1=C(N)OC(C=C2N)=C(C=C2)C1C3=CC=CC=C3C(F)(F)F,0.0
23122,CO-ADD:0155081,8.02,NC1=NC(C2=CC=CC=C2)=NC(C)=C1C3=NC4=NC(C5=CC=CC=C5)=NC(C)=C4C(C)=C3,0.0
23123,CO-ADD:0155465,8.02,NC1=NON=C1N=NC2=CC=C(C(C=NC3=CC=CC=C3C)=C2)O,0.0
23124,CO-ADD:0155874,8.02,ClC1=CC(C2=CSC(NC3=CC=C(C=C3)C4=CC=CC=C4)=N2)=CC=C1Cl.Br,0.0
23125,CO-ADD:0162522,8.02,B(C1)(CC(C2)CC3CC12)C3.n(cc4)ccc4Cc5ccccc5,0.0
23126,CO-ADD:0154382,8.02,O=C(CI)NCC1=CC=CC=C1,0.0
23127,CO-ADD:0161654,8.02,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc(cc2)ccc2C)=O)O)c1,0.0
23128,CO-ADD:0161859,8.02,c1(N(CC2)CCO2)nc(N\N=C\c(cc(Br)cc3Br)c3O)nc(Nc4cc(C)ccc4C)n1,0.0
23129,CO-ADD:0162097,8.02,C1(c2ccc(cc2)NC(=O)C(c3ccccc3)c4ccccc4)(c(cc5)ccc5NC(=O)C(c6ccccc6)c7ccccc7)c8c(c(cccc9)c19)cccc8,0.0
23130,CO-ADD:0154345,8.02,CC1=CN=C2N1C=C(Br)C=C2,0.0
23131,CO-ADD:0163551,8.02,N(CC(=O)N\N=C\c(ccc1c2ccc(cc2)F)o1)(c(cccc3)c34)c(cccc5)c5C4=O,0.0
23132,CO-ADD:0155700,8.02,O=C(NC(C=CC=C1)=C1C)C2C(C(C=C3)=CC=C3C)(C4=CC=C(C)C=C4)C2,0.0
23133,CO-ADD:0158384,8.02,OC(C(/C=N/C1=C(OC)C=C(Cl)C=C1)=CC=C2)=C2OC,0.0
23134,CO-ADD:0159790,8.02,O=C(S/1)N(CNC2=C(C=CC=C2)C(F)(F)F)C(C1=C\C3=CC=CC(F)=C3)=O,0.0
23135,CO-ADD:0161623,8.02,C(c(cc1)ccn1)(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
23136,CO-ADD:0161528,8.02,c1(C(=O)C2CC2)oc(c3c1N)cccc3,0.0
23137,CO-ADD:0155428,8.02,ClC1=CC(C2=CSC(NC3=CC=CC=C3)=N2)=CC=C1Cl,0.0
23138,CO-ADD:0155411,8.02,O=C(NCCCN(C)C)C1=CC=CC(F)=C1.Cl,0.0
23139,CO-ADD:0155512,8.02,N#CC1=C(NC(C2=CC=C(OC)C=C2)=O)SC3=C1CCCCC3,0.0
23140,CO-ADD:0155520,8.01,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C(C)/C(C=C3)=CC=C3F)=NC(N4CCCCCC4)=N2)=O,0.0
23141,CO-ADD:0158548,8.01,O=C(CCCCC(NC1=CC(C(F)(F)F)=CC=C1Cl)=O)NC2=C(Cl)C=CC(C(F)(F)F)=C2,0.0
23142,CO-ADD:0158580,8.01,O=C(N/N=C(C)/C=C/C1=CC=CC=C1)COC2=C(Br)C=C(C)C=C2Br,0.0
23143,CO-ADD:0163989,8.01,C(=O)(Nc(cc1)ccc1NC(C)=O)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O,0.0
23144,CO-ADD:0162260,8.01,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\C=C\c5ccccc5[N+](=O)[O-],0.0
23145,CO-ADD:0163983,8.01,C(=O)(Nc1ccccc1)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O,0.0
23146,CO-ADD:0162451,8.01,n1c2c(oc1c3ccc(cc3)C)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
23147,CO-ADD:0163507,8.01,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c(cc2)ccc2Cl,0.0
23148,CO-ADD:0162546,8.01,C1(C2=O)=C(C(CC1)CNC3)N3c4c2cc(C)cc4,0.0
23149,CO-ADD:0154794,8.01,O=C(CSC1=NN=C(C2=CC=CO2)N1C3=CC=CC=C3)NC(C)C4=CC=CC=C4,0.0
23150,CO-ADD:0155906,8.01,N#CC(C(C(C=CC=C1)=C1F)C(C2=O)=C(C=C(C)O2)O3)=C3N,0.0
23151,CO-ADD:0155845,8.01,O=C(C1=CC(C(OC2=CC=C(C=C2)OC(C3=CC=C4C(N(C5=CC(O)=CC=C5)C(C4=C3)=O)=O)=O)=O)=CC=C61)N(C7=CC(O)=CC=C7)C6=O,0.0
23152,CO-ADD:0155101,8.01,N#CC([C@H](C(C=C1)=CC=C1OCC)[C@H]2C(C)=O)(C#N)[C@]3([H])N2C(C=CC=C4)=C4C=C3,0.0
23153,CO-ADD:0155946,8.01,O=C(C)N1N=C(OC1C(C=C2)=CC=C2Br)C3=CC(C)=CC=C3,0.0
23154,CO-ADD:0155170,8.01,O=C(C1=CC=CS1)NC2=C(C=CC=C3)C3=CC=C2,0.0
23155,CO-ADD:0162508,8.01,c1(C2c3ccc(cc3)Cl)c(CCN2C(=O)c4ccc(cc4)OC)c5c(cccc5)[nH]1,0.0
23156,CO-ADD:0154466,8.01,C12=CC=CC=C1N(CC3=CC=CC=C3)C=C2,0.0
23157,CO-ADD:0154518,8.01,O=C(NNCCC1=CC=CC=C1)CC2=CNC3=CC=CC=C32,0.0
23158,CO-ADD:0162090,8.01,c12c(c3c(cccc3)o1)N=C(CC)NC2=O,0.0
23159,CO-ADD:0154496,8.01,O=C1OC(C2=CC=CC=C2)=N/C1=C/C3=CC=C(C(OC)=C3)OC,0.0
23160,CO-ADD:0154305,8.01,NC1=C2C(CCCC2)=NC3=C1C(C4=C(Cl)C=CC=C4Cl)C5=C(O3)C6=C(C=CC=C6)C=C5.Cl,0.0
23161,CO-ADD:0163559,8.01,c1(O)c(OCC)cc(cc1Br)\C=N\NC(COc(ccc(c2C)C)c2)=O,0.0
23162,CO-ADD:0163303,8.01,c1(cc(\C=N\NC(CNC(=O)c2cccc(F)c2)=O)cc(OC)c1O)[N+](=O)[O-],0.0
23163,CO-ADD:0163304,8.01,N(=C(/C)\c1ccc(cc1)F)/NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
23164,CO-ADD:0163537,8.01,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(ccc(n2)C)c2)c3ccco3,0.0
23165,CO-ADD:0163569,8.01,c1(c(C)cccc1C)OCC(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
23166,CO-ADD:0163649,8.01,c1(\C=N\NC(=O)Cc2cccc(cccc3)c23)cc(I)ccc1O,0.0
23167,CO-ADD:0159811,8.01,ClC1=CC=C(C=C1)C2=NN(C3=CC=CC=C3)C(C(C=CC=C4)=C4OC)C2,0.0
23168,CO-ADD:0159883,8.01,O=S(C(C=C1)=CC=C1N2C(C)=CC=C2C)(C(C=C3)=CC=C3N4C(C)=CC=C4C)=O,0.0
23169,CO-ADD:0159748,8.01,FC1=CC=C(C=C1)C(O2)=NC3=C2C=CC(/N=C/C4=CC=NC=C4)=C3,0.0
23170,CO-ADD:0160036,8.01,O=C1NC(C(F)(F)F)=CC(/C=C/C(C(Cl)=C2)=CC=C2Cl)=N1,0.0
23171,CO-ADD:0159772,8.01,O=S(NC1C(Br)=C(C(O1)=O)Br)(C(C=CC=C2)=C2C)=O,0.0
23172,CO-ADD:0160060,8.01,C1(N2CCOCC2)=NC(N/N=C\C3=CC=CC=C3)=NC(N/N=C\C4=CC=CC=C4)=N1,0.0
23173,CO-ADD:0155767,8.01,[O-][N+](C1=CC=CC(C(O)=O)=C1C(NC2=CC([N+]([O-])=O)=CC=C2O)=O)=O,0.0
23174,CO-ADD:0156287,8.01,O=C1C=C(O)C(S2)=C(N1)C3=C2N=C(C)C(C(C)=O)=C3,0.0
23175,CO-ADD:0158640,8.01,O=C(O)C1=CC(Br)=CC=C1NC(COC2=CC(C=CC=C3)=C3C=C2)=O,0.0
23176,CO-ADD:0155500,8.01,[O-][N+](C1=C(O)C(/C=N/C2=CC=C(C=C2)C3=NC(C=C4C)=C(C=C4C)O3)=CC(Br)=C1)=O,0.0
23177,CO-ADD:0155532,8.01,[O-][N+](C1=CC=CC=C1/C=C/C=N/C2=CC(C(O3)=NC4=C3C=C(C)C(C)=C4)=CC=C2)=O,0.0
23178,CO-ADD:0154777,8.01,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCCCNC(C(C3=CC=CC=C3)C4=CC=CC=C4)=O,0.0
23179,CO-ADD:0162834,8.01,[N+](=O)([O-])c1ccccc1\C=N\c(cc2)ccc2Br,0.0
23180,CO-ADD:0163698,8.01,c1([nH]c(c2n1)cccc2)Sc3ccc(\C=N\NC(CSCc(cc4)ccc4Cl)=O)o3,0.0
23181,CO-ADD:0163314,8.01,C(=O)(Nc(cc1)ccc1C(c2ccccc2)=O)Nc(cc3)ccc3Cc(cc4)ccc4NC(=O)Nc(cc5)ccc5C(c6ccccc6)=O,0.0
23182,CO-ADD:0163862,8.0,C(OCc(cc1)ccc1OC)(=O)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)C)c2,0.0
23183,CO-ADD:0163811,8.0,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3Br)C(=O)Oc(cc4)ccc4\C=N\c(cc5)ccc5Br,0.0
23184,CO-ADD:0163886,8.0,C(=O)(Nc(ccc(c1C)C)c1)c2ccco2,0.0
23185,CO-ADD:0154795,8.0,C1(SCC2=CC=CC3=C2C=CC=C3)=NC(C=CC=C4)=C4S1,0.0
23186,CO-ADD:0155886,8.0,CC1(C)CC(C2=C(C1)O[C@]3(O)C[C@H]2[C@@H]4O[C@H]3OC4)=O,0.0
23187,CO-ADD:0155750,8.0,O=C(C1=C2C=CC(OC3=CC=C(C=C3)NC(C)=O)=C1)N(C(C=C4)=CC=C4C)C2=O,0.0
23188,CO-ADD:0155102,8.0,N#CC1(C#N)[C@]2([H])N([C@H](C(C3=CC=C(C)C=C3)=O)[C@H]1C4=CC=CC=C4)C(C=CC=C5)=C5C=C2,0.0
23189,CO-ADD:0158506,8.0,IC1=CC(Br)=CC(/C=N/C2=CC(N=C(C(C=C3)=CC=C3C(C)(C)C)O4)=C4C=C2)=C1O,0.0
23190,CO-ADD:0163785,8.0,c1(cc(ccc1O)Cc(ccc(c2\C=N\c(ccc(c3C)C)c3)O)c2)\C=N\c(ccc(c4C)C)c4,0.0
23191,CO-ADD:0154513,8.0,O=C(CN1C(C)=O)NC1=S,0.0
23192,CO-ADD:0154408,8.0,O=C(C1=CC=CC=C1)N/C(C(OC)=O)=CC2=CC=CC=C2,0.0
23193,CO-ADD:0162465,8.0,c1(SC)sc2c(ccc(c2)\N=C\c(ccc3Br)o3)n1,0.0
23194,CO-ADD:0154314,8.0,NC1=C2C(CCCC2)=NC3=C1C(C4=CC=CC=C4)C5=C(O3)C6=C(C=CC=C6)C=C5,0.0
23195,CO-ADD:0154436,8.0,O=C(N([H])N([H])CC1=CC=CC=C1)CC2=CNC3=C2C=CC=C3,0.0
23196,CO-ADD:0154440,8.0,NNC(C1=C(C)NC2=C1C=C(OCC3=CC=CC=C3)C=C2)=O,0.0
23197,CO-ADD:0163562,8.0,c1(O)c(OCC)cc(cc1I)\C=N\NC(COc2ccccc2C#N)=O,0.0
23198,CO-ADD:0163586,8.0,[N+](=O)([O-])c1cccc2c1cccc2C(=O)NC(C(=O)OCc3ccccc3)CC(OCc4ccccc4)=O,0.0
23199,CO-ADD:0163098,8.0,C(C#N)(C1c2ccc(cc2)F)=C(N)OC(C)=C1C(C)=O,0.0
23200,CO-ADD:0163690,8.0,C(=O)(NC(C)c1ccccc1)C(=O)Nc(cc2)ccc2CC,0.0
23201,CO-ADD:0163067,8.0,c1(C(OCC)=O)c(C)c(sc1N)\C(\C)=N\NC(CCCCCCCCC(=O)N\N=C(/C)\c(sc(c2C(OCC)=O)N)c2C)=O,0.0
23202,CO-ADD:0163083,8.0,C(=O)(Nc1cc(Br)cc(cccn2)c12)c3ccccc3OC,0.0
23203,CO-ADD:0160068,8.0,N#C/C(C1=NC(C=C2)=C(C=C2C)N1)=C\C3=CC=C(OC)C=C3,0.0
23204,CO-ADD:0159788,8.0,O=C(CSC1=CC=CC=C1C)N/N=C/C2=CC=CC(OC)=C2O,0.0
23205,CO-ADD:0160549,8.0,O=C(N1)/C(C2=C1C=CC(Br)=C2)=N\NC(C(N=C3C4=CC=CC=C4)=NN3C5=CC=CC=C5)=O,0.0
23206,CO-ADD:0160336,8.0,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1N/N=C(C2C3)/C(C3C(C)(C)C2C)=C4C(C5)C(C(C)(C)C5C\4)C)=O,0.0
23207,CO-ADD:0160456,8.0,FC(C(F)(F)COC(C=C(C=C1)C(F)(F)F)=C1NC(C2=CC=CC=C2)=O)(F)C(F)(F)C(F)F,0.0
23208,CO-ADD:0159951,7.99,C1(N2CCOCC2)=NC(N/N=C/C=C/C3=CC=CC=C3)=NC(NC4=CC=CC=C4)=N1,0.0
23209,CO-ADD:0156126,7.99,O=C(N/N=C/C1=CC=CO1)C(CC2=CC=CC=C2)NC(C3=CC=CC=C3)=O,0.0
23210,CO-ADD:0154909,7.99,N#CC1=C(N)SC(N)=C(C#N)C1C2=C(OC)C=CC(OC)=C2,0.0
23211,CO-ADD:0154941,7.99,N#CC1=C(N)OC(C=C(N)C=C2)=C2C1C(C(Cl)=C3)=CC=C3Cl,0.0
23212,CO-ADD:0154873,7.99,N#CC1=C(N)OC(C)=C(C(OCC)=O)C1C2=C(C)C=CS2,0.0
23213,CO-ADD:0163182,7.99,C(COc(cc1)ccc1Cl)(=O)N\N=C(/C)\C=C\c2ccccc2,0.0
23214,CO-ADD:0161970,7.99,c1(OC(C)=O)cc(ccc1\C=N\NC(COc(cc2)ccc2CCCC)=O)OC(C)=O,0.0
23215,CO-ADD:0161693,7.99,c1(oc(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c(cc(Cl)cc4[N+](=O)[O-])c4O,0.0
23216,CO-ADD:0161978,7.99,c1(ccccc1NC(c2ccccc2)=O)C(=O)N\N=C\c3cccc(cccc4)c34,0.0
23217,CO-ADD:0161858,7.99,c1(cc(ccc1N(CC2)CCO2)\C=N\NC(COc3c(Br)cc(cc3Br)Br)=O)[N+](=O)[O-],0.0
23218,CO-ADD:0161856,7.99,c1(cc(ccc1N2CCCC2)\C=N\NC(COc3c(Br)cc(cc3Br)Br)=O)[N+](=O)[O-],0.0
23219,CO-ADD:0163450,7.99,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\NC(=O)Nc3ccccc3)o2)Cl)c1,0.0
23220,CO-ADD:0163466,7.99,c1(c(OC)cc(c(\C=N\NC(COc2ccc(cc2Cl)Cl)=O)c1)OC)[N+](=O)[O-],0.0
23221,CO-ADD:0163447,7.99,[N+](=O)([O-])c1cccc(c1)\C=N\NC(COc2c(C)cccc2C)=O,0.0
23222,CO-ADD:0163471,7.99,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccc(cc2Br)Cl)=O)c3ccco3,0.0
23223,CO-ADD:0163959,7.99,N1(c2cc(Cl)cc(Cl)c2)C(=O)c(c3C1=O)cc(c4c3)cccc4,0.0
23224,CO-ADD:0163937,7.99,C(=O)(Nc(cc1)ccc1Cl)N(Cc2ccccc2)C(C)C3CC3,0.0
23225,CO-ADD:0162459,7.99,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc(cccc3C(F)(F)F)c3,0.0
23226,CO-ADD:0154389,7.99,O=C(NNCC1=CC=C(C=C1)OC)C2=CC3=CC=CC=C3N2,0.0
23227,CO-ADD:0162483,7.99,c1(C(OCC)=O)sc(c2c1NC(C)=O)cccc2,0.0
23228,CO-ADD:0154342,7.99,BrC(C=C1)=CC=C1C2=C(CO)N3C=CC=CC3=N2,0.0
23229,CO-ADD:0162479,7.99,c1(cc(ccc1Cl)SC)C(=O)Nc2ccccc2OCCCC,0.0
23230,CO-ADD:0161745,7.99,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(ccc(c2O)OCC)c2)nc3Nc4ccccc4)n3,0.0
23231,CO-ADD:0158424,7.99,O=C(NC1=CC=C(OC)C=C1)C(C=C2)=CC=C2NC(C3=CC=C(C)C=C3)=O,0.0
23232,CO-ADD:0158329,7.99,ClC1=CC=C(C=C1)N(C(C2=CC=C(Br)C=C2)C3)N=C3C(C=C4)=CC=C4Cl,0.0
23233,CO-ADD:0158499,7.99,N#CC(C(N/N=C/C1=CC=C(C)C=C1)=N2)=C(COC)C=C2C,0.0
23234,CO-ADD:0157548,7.99,O=C(NC(C)C)C1=CC=C(C=C1)C(SC2)N(CC3=CC=CC=C3)C2=O,0.0
23235,CO-ADD:0157836,7.99,COC1=CC=C(C=C1)/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCCC4)=N2,0.0
23236,CO-ADD:0161138,7.99,c1(ccccc1OCc2ccccc2)C(=O)N\N=C\c3cccc(Cl)c3Cl,0.0
23237,CO-ADD:0161530,7.99,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c3c(N=C1c(cc4)ccc4[N+](=O)[O-])cccc3,0.0
23238,CO-ADD:0161570,7.99,C(CNc(cc1)ccc1C)(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
23239,CO-ADD:0155981,7.99,O=C(NC(C=C(OC1=CC=CC=C21)C2=C3)=C3OC)C(C(Cl)=C4)=CC=C4Cl,0.0
23240,CO-ADD:0160139,7.99,O=C(N(C1=CC=CC=C1)N=C2)C(Cl)=C2NCC3=CC=CC=C3,0.0
23241,CO-ADD:0160211,7.99,[O-][N+](C1=CC=CC(C(N/N=C(C)/C(C=C2C)=C(C)C=C2C)=O)=C1)=O,0.0
23242,CO-ADD:0154860,7.99,O=C1OC(C2=CC(C(OC/3=O)=NC3=C/C4=CC=CS4)=CC(C(OC/5=O)=NC5=C/C6=CC=CS6)=C2)=N/C1=C/C7=CC=CS7,0.0
23243,CO-ADD:0158563,7.99,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C(C(O)=C2)=CC=C2C,0.0
23244,CO-ADD:0158674,7.99,O=C(C(C=CC=C1)=C1Cl)NC2=C(C(OCC)=O)C(CCCC3)=C3S2,0.0
23245,CO-ADD:0155422,7.99,O=C(CCCCC(O)=O)NC(C=C1)=CC=C1OCCCC,0.0
23246,CO-ADD:0158578,7.99,O=C(N/N=C(C)/C1=CC=CS1)COC2=C(Br)C=C(C)C=C2Br,0.0
23247,CO-ADD:0161863,7.99,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c(cc2)ccc2Br,0.0
23248,CO-ADD:0161871,7.99,N(=C(/C)\c1ccc(cc1)Br)/NC(CNc(cc2)ccc2C)=O,0.0
23249,CO-ADD:0161919,7.99,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c(ccc(c45)OCO4)c5,0.0
23250,CO-ADD:0161955,7.98,[N+](=O)([O-])c1ccccc1C(=O)Nc(cc2)ccc2NC(=O)c(cc3)ccc3NC(=O)c4ccccc4[N+](=O)[O-],0.0
23251,CO-ADD:0163729,7.98,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(=O)Nc2cccc(Cl)c2,0.0
23252,CO-ADD:0163353,7.98,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(COc2c(OC)cc(cc2Br)Br)=O)c1,0.0
23253,CO-ADD:0163326,7.98,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(cc2)ccc2C(O)=O,0.0
23254,CO-ADD:0163931,7.98,c1(c2)c(cc(OC)c2NC(=O)c3ccc(c4n3)cccc4)c5c(cccc5)o1,0.0
23255,CO-ADD:0163975,7.98,C(=O)(Nc1ccccc1C)C(=O)NC(C)c2ccccc2,0.0
23256,CO-ADD:0161373,7.98,c1(SC(C)C(OCC)=O)nc(c2cccs2)cc(c3ccc(cc3)Cl)c1C#N,0.0
23257,CO-ADD:0161785,7.98,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNc(cc2)ccc2C)=O,0.0
23258,CO-ADD:0163010,7.98,C(CNc1cccc(C)c1)(=O)N\N=C\c(cc2)ccc2N(CCC)CCC,0.0
23259,CO-ADD:0162092,7.98,C(=O)(C\C(\C)=N/NC(=O)c1ccc(cc1)Cl)Nc2ccc(cc2OC)OC,0.0
23260,CO-ADD:0162100,7.98,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)Nc(cc2)ccc2OC)Cl)c1,0.0
23261,CO-ADD:0162436,7.98,N(\C(=C/c(cc1)ccc1[N+](=O)[O-])\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
23262,CO-ADD:0158316,7.98,O=C(C1=CC=CC=C1)C2=C(NC(CN3CCN(C)CC3)=O)C(C=CC=C4)=C4O2,0.0
23263,CO-ADD:0158420,7.98,O=C(NC1=CC=CC(NC(C2=CC=CC=C2)=O)=C1)C(C)(C)CC(C)(C)C,0.0
23264,CO-ADD:0158401,7.98,O=C(NCCCCCCCC)C(C=C1)=CC=C1NC(CCC2=CC=CC=C2)=O,0.0
23265,CO-ADD:0158326,7.98,[O-][N+](C1=CC(Cl)=CC(Cl)=C1OCC(N/N=C/C2=CC(OC)=C(C(Br)=C2)O)=O)=O,0.0
23266,CO-ADD:0157454,7.98,O=C(O1)N(CNC2=CC=CC=C2F)C3=C1C=CC(Cl)=C3,0.0
23267,CO-ADD:0157262,7.98,O=C(N/N=C(C)/C(C=C1)=CC=C1OCC2=CC=C(Cl)C=C2)C3=CC=CC=C3OCCCCCC,0.0
23268,CO-ADD:0160243,7.98,O=C(C)C(C=C1)=CC(CN2CCCCC2)=C1OCC(C)C.Cl,0.0
23269,CO-ADD:0161290,7.98,C(C(OCC)=O)(C1c2ccccc2)=C(CSc3nc(CC)c(cc3C#N)C)OC(N)=C1C#N,0.0
23270,CO-ADD:0161592,7.98,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2cc(C)ccc2C)=O)N(CCCC)CC)c1,0.0
23271,CO-ADD:0161452,7.98,C(Cc1ccccc1)(=O)N\N=C\CCC\C=N\NC(Cc2ccccc2)=O,0.0
23272,CO-ADD:0161292,7.98,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(CSc3c(cc(c4n3)CCCCC4)C#N)OC(N)=C1C#N.Cl.Cl,0.0
23273,CO-ADD:0160055,7.98,S=C(NC(/C=C/C1=CC=C(C(OC)=C1)OC)=O)NC2=C(C(OCC)=O)C(CCCC3)=C3S2,0.0
23274,CO-ADD:0155522,7.98,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C2=CN(CC3=CC=CC=C3)C4=C2C=CC=C4,0.0
23275,CO-ADD:0158670,7.98,[O-][N+](C1=CC=C(C(/C=N/NC(CNC(C=C2)=CC=C2OC)=O)=C1)N(CC(C)C)CC(C)C)=O,0.0
23276,CO-ADD:0158526,7.98,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C(C)/C=C/C=C/C2=CC=CC=C2,0.0
23277,CO-ADD:0155410,7.98,O=C(CNC1=CC=CC2=C1C=CC=C2)N/N=C/C(C(O)=C(C)C(O)=C3)=C3C,0.0
23278,CO-ADD:0155489,7.98,ClC1=C(Cl)C=CC(C2=CC=C(/C=N\C3=CC(C(O4)=NC5=C4C=CC(Cl)=C5)=CC=C3)O2)=C1,0.0
23279,CO-ADD:0155437,7.98,IC1=CC=C(C=C1)C2=CSC(NC(C=CC=C3)=C3C)=N2,0.0
23280,CO-ADD:0162764,7.98,C(=O)(Nc(cc1)ccc1C)Nc2ccc(cc2OC)Cc(cc3)cc(c3NC(=O)Nc(cc4)ccc4C)OC,0.0
23281,CO-ADD:0162784,7.98,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)Nc3ccccc3[N+](=O)[O-],0.0
23282,CO-ADD:0162904,7.98,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c1c(O)ccc(cccc2)c12,0.0
23283,CO-ADD:0162138,7.98,c(c(O)ccc1C(C)(C)CC(C)(C)C)(CN(CC2)CCN2CCC#N)c1,0.0
23284,CO-ADD:0162397,7.98,c1(c2ccc(cc2)\N=C\c(cc3)ccc3Br)[nH]c4c(ccc(c4)\N=C/c(cc5)ccc5Br)n1,0.0
23285,CO-ADD:0158398,7.98,[O-][N+](C(C=C1)=CC=C1C(N2)=NC(C(C=C3)=CC=C3Br)=C2C4=CC=C(Br)C=C4)=O,0.0
23286,CO-ADD:0158318,7.98,O=C(NC(CC1=CC=CC=C1)C(OC)=O)C(C2)C2C3=CC=CC=C3,0.0
23287,CO-ADD:0157070,7.98,[O-][N+](C1=NN2C=CC=NC2=C1[N+]([O-])=O)=O,0.0
23288,CO-ADD:0158446,7.98,O=C(C1(CCCCC1)C)NC2=CC=C(C=C2)C(NC3=CC=CC=C3C)=O,0.0
23289,CO-ADD:0158441,7.97,O=C(C1=CC=C(Br)C=C1)NC2=NC=NN2,0.0
23290,CO-ADD:0160195,7.97,BrC1=C(O)C(/C=N/C2=CC(N=C(C(C=C3)=CC=C3OC)O4)=C4C=C2)=CC(Cl)=C1,0.0
23291,CO-ADD:0160079,7.97,O=C(NC(C)(C)C)C1C2CCCCC12,0.0
23292,CO-ADD:0161545,7.97,[N+](=O)([O-])c1ccc(c(c1)\N=C\c(ccc(c2OC)O)c2)C,0.0
23293,CO-ADD:0161297,7.97,n(c1c(CCCCC1)cc2C#N)c2SCC(=O)Nc(cccc3C(F)(F)F)c3,0.0
23294,CO-ADD:0160580,7.97,O=S(C1=C(C=CC=C2)C2=CC=C1)(OC3=CC=C4C(C=CC=C4)=C3/C=N/N(C5=O)C(C6=C5C=CC=C6)=O)=O,0.0
23295,CO-ADD:0159812,7.97,FC1=CC=CC=C1N(C(C(C=CC=C2)=C2OC)C3)N=C3C4=CC=C(Cl)C=C4,0.0
23296,CO-ADD:0159892,7.97,O=C(NC1=CC(C(OCC(C2=CC=CC=C2)=O)=O)=CC=C1)C3=CC=CO3,0.0
23297,CO-ADD:0155486,7.97,OC1=CC=C(CC2=CC=CC=C2)C=C1/C=N/C3=CC(C(O4)=NC5=C4C=CC(C)=C5)=CC=C3,0.0
23298,CO-ADD:0158634,7.97,[O-][N+](C(C=C1)=CC=C1C(COC(C(C=C2)=CC=C2OCCCCCC)=O)=O)=O,0.0
23299,CO-ADD:0156390,7.97,N#CC(C(SCC(NC(C=C1)=CC=C1C)=O)=N2)=C(C(C=C3)=CC=C3OC)C=C2C4=CC=CC=C4,0.0
23300,CO-ADD:0156222,7.97,O=C(OCC)C(C(OCC)=O)=CNC(C=C1)=CC=C1I,0.0
23301,CO-ADD:0156055,7.97,O=C(C)NC1=CC2=C(C=C1)OC(C3=C(Cl)C=C(Cl)C=C3)=N2,0.0
23302,CO-ADD:0156447,7.97,N#CC([C@@H]1C2=CC=CC=C2)(C#N)[C@@H]1C(N)=O,0.0
23303,CO-ADD:0149123,7.97,c1(nnc(Nc(ccc(c23)OCCO2)c3)o1)c4nscc4NCc(cccn5)c5,0.0
23304,CO-ADD:0149147,7.97,c1(c(NC(=O)CC1c(cc2c3OCO2)cc3)cc4)s4,0.0
23305,CO-ADD:0148771,7.97,c(OC(=O)C(c(cc1)ccc1OC)=C2)(c23)c(OC)c(OCO4)c4c3OC,0.0
23306,CO-ADD:0148839,7.97,n12c(cccc1)nc(c3ccc(c(OC)c3)O)c2N,0.0
23307,CO-ADD:0148840,7.97,c(C(=O)c1ccc(cc1)C)(c2N)sc3c2cc(c4n3)CCCC4,0.0
23308,CO-ADD:0148952,7.97,c12c(cc(OCO3)c3c1)NC(CC2c4cccc(OC)c4OC)=O,0.0
23309,CO-ADD:0149632,7.97,CN(C(CNC1=CC=CC=C1)=C2)C(C2=C3)=CC=C3OCCCC(CC4)CCN4CC5=CC=CC=C5.Cl.Cl,0.0
23310,CO-ADD:0149638,7.97,C#CCN(CC1=CC2=CC(OCCCC3CCN(CC4=CC=CC=C4)CC3)=CC=C2N1)C.OC(=O)C(=O)O,0.0
23311,CO-ADD:0148880,7.97,c1(nc(c2n1Cc(cc(OCO3)c3c4)c4Cl)cccc2)c5nonc5N,0.0
23312,CO-ADD:0148845,7.97,C1(C(OCC)=O)=C(C)NC(=S)NC1c2ccc(cc2)OC,0.0
23313,CO-ADD:0149117,7.97,c(c1)c([nH]2)c(c(C(=O)C(=O)Nc(cc3)ccc3OC)c2)cc1[N+](=O)[O-],0.0
23314,CO-ADD:0149831,7.97,C#CCN(C(C(C#N)=C1C2=CC=CC=C2)=NC(NC3CCN(CC4=CC=CC=C4)CC3)=C1C#N)C,0.0
23315,CO-ADD:0148591,7.97,O=C(CC1=CC(OC)=CC=C1OC)NC2=CC=C(OC)C=C2,0.0
23316,CO-ADD:0148974,7.97,c1(c2c([nH]c1)cccc2)C(=O)C(=O)Nc(cccc3C(F)(F)F)c3,0.0
23317,CO-ADD:0149094,7.97,n1cccc(c1)n(c2c3cc(OC)c(OC)c(OC)c3)c(S)nn2,0.0
23318,CO-ADD:0149134,7.97,C1COc2c(O1)cc(NC(=O)C(=O)c(c(cc3)c([nH]4)cc3F)c4)cc2,0.0
23319,CO-ADD:0148594,7.97,CC1C(N(CC2=CC=C(OC)C=C2)C1(CC3=CC=C(OCC4=C(Cl)C=CC=C4Cl)C=C3)C(OC)=O)=O,0.0
23320,CO-ADD:0148599,7.97,CC1C(N(CC2=CC=C(OCCN3CCOCC3)C=C2)C1(CC4=CC=CC=C4)C(O)=O)=O,0.0
23321,CO-ADD:0149731,7.97,NC(OC(C(N=CC=C1)=C1C=C2)=C2C3C4=NC=CN4C)=C3C#N,0.0
23322,CO-ADD:0149142,7.97,c1(c(NC(=O)CC1c(c2)ccc(O)c2OC)cc3)s3,0.0
23323,CO-ADD:0149495,7.97,COc(c1OC)cc(\C=C\C(=O)c(ccc(OC2)c3OC2)c3)cc1OC,0.0
23324,CO-ADD:0149092,7.97,n1(Cc2ccc(OCO3)c3c2)nccc1N,0.0
23325,CO-ADD:0149869,7.97,O=C(C(C#N)=C1C2=CC([N+]([O-])=O)=CC=C2)OC3=C1C=CC4=C3C=CC=C4,0.0
23326,CO-ADD:0149412,7.97,c(C1C(C#N)=C(N)Oc(cc2OC)c1cc2)(c(OC)c3OC)ccc3,0.0
23327,CO-ADD:0149492,7.97,c(cc1C(=O)\C=C\Nc(cc2OC)cc(OC)c2OC)c(OC)cc1,0.0
23328,CO-ADD:0149063,7.97,c1(c2c([nH]c1)cccc2)C(=O)C(=O)Nc(ccc(c3Cl)F)c3,0.0
23329,CO-ADD:0148615,7.97,C(c(ccc(OC1)c2OC1)c2)(=O)\C=C\c(c(OC)c(OCO3)c34)cc4OC,0.0
23330,CO-ADD:0149188,7.97,COc(c1OC)c(\C=C\C(c(cc2)ccc2OC)=O)ccc1OC,0.0
23331,CO-ADD:0148573,7.97,O=C(C1=CC(OC)=CC=C1OC)/C=C/C2=CNC3=CC=C(OC)C=C32,0.0
23332,CO-ADD:0137885,7.96,O=C(NC1=CC=CC=C1)C2=C(OC)C(OCO3)=C3C(OC)=C2,0.0
23333,CO-ADD:0149393,7.96,c(OC)(c(OC)c1)c(OC)c2c1C(=O)CC2c3cc(OC)c(OC)c(OC)c3,0.0
23334,CO-ADD:0149232,7.96,C(/c1cc(OC)c(OC)c(OC)c1)=C\C(c2c(O)cc(OC)cc2)=O,0.0
23335,CO-ADD:0149511,7.96,c(cc1C(=O)Cc(c2)cc(OC)c3c2OCO3)c(OC)cc1,0.0
23336,CO-ADD:0137873,7.96,O=C1NC(N2C(N3)=NC4=C3C=CC=C4)=C(C(C)=N2)C(C5=CC(OC)=C(C=C5)OCC(N)=O)C1,0.0
23337,CO-ADD:0148660,7.96,c1c(Cl)cc(n(c(c2C3c(cc4OC)ccc4OC)NC(=O)C3)cn2)cc1,0.0
23338,CO-ADD:0148842,7.96,c(C(=O)c1ccc(cc1)Cl)(c(N)c(c23)cc(c(N)n2)C#N)s3,0.0
23339,CO-ADD:0149708,7.96,O=C(O1)CC(C2=CC=CC=C2)C(C(OCC)=O)=C1OC,0.0
23340,CO-ADD:0137889,7.96,COC1=CC(NC(C2=CC(OC)=C(OCO3)C3=C2OC)=O)=CC(OC)=C1OC,0.0
23341,CO-ADD:0149196,7.96,C(CC(O1)Cc(cc(c(OCO2)c23)OC)c3OC)(C(N)=O)=N1,0.0
23342,CO-ADD:0148722,7.96,C(c1ccc(c(OC)c1)OC)(=CO2)C(=O)c(c23)ccc(O)c3CN(CC)CC,0.0
23343,CO-ADD:0149122,7.96,c1(c2ccccc2N)nnc(Nc(ccc(c34)OCO3)c4)o1,0.0
23344,CO-ADD:0148706,7.96,c(OC1)(c(OC)cc2\C=C(/N=C3c(cccc4)c4)\C(=O)O3)c(O1)c2OC,0.0
23345,CO-ADD:0149721,7.96,NC(N=C(N(CC#C)C)C(C#N)=C1C2=CC=CC=C2)=C1C#N,0.0
23346,CO-ADD:0137729,7.96,O=C(c1n(C)c([N+](=O)[O-])cn1)NC(c2ccc(F)cc2)C,0.0
23347,CO-ADD:0149427,7.96,c(C1c(c2N)c(nc(N)c2C#N)Oc(cc3OC)c1cc3)(cc4OC)cc(OC)c4OC,0.0
23348,CO-ADD:0149243,7.96,c12c(C(CC(=O)N1)c(cc3OC)cc(c34)OCO4)sc(N)n2,0.0
23349,CO-ADD:0149443,7.96,COc1cc(C2C(C(=O)OC3)=C3Nc(cc4OC)c2cc4)cc(OCCO5)c15,0.0
23350,CO-ADD:0149082,7.96,c([nH]nn1)(c2ccccc2NCc(ccc(OC)c3OC)c3)n1,0.0
23351,CO-ADD:0148781,7.96,s(c(C(c1c(OC)c(O)c(O)c(OC)c1)CC(N2)=O)c23)c(NC)n3,0.0
23352,CO-ADD:0148806,7.96,c(cc1CC(c(cc2OC)cc(OC)c2OC)=O)c(OC)cc1,0.0
23353,CO-ADD:0137690,7.96,n1(nncc1c2ccc(Cl)s2)c3nonc3N,0.0
23354,CO-ADD:0149267,7.96,COc(c(c(OC)cc1c(c(c(c(c(CC2)c3)CC2)n4)c3)c(c4C5)C(O5)=O)OC)c1,0.0
23355,CO-ADD:0149467,7.96,c1c(c(cc2)ccc2)n(c(cc3Cl)ccc3)nn1,0.0
23356,CO-ADD:0149499,7.96,c(c(C(=O)C1C(c(cc2OC)cc(OC)c2OC)O1)c3Br)c(OC)c(OC)c3,0.0
23358,CO-ADD:0149488,7.96,c(c(OCCO1)c12)c(c3n[nH]c(N)c3c(cc4)ccc4OC)cc2OC,0.0
23359,CO-ADD:0149496,7.96,COc1c(OC)cc(C(=O)\C=C\c(cc2O)ccc2OC)cc1OC,0.0
23360,CO-ADD:0148814,7.96,COc(c1OC)c(Br)cc(c([nH]nc2)c2c(ccc(OC)c3)c3)c1,0.0
23361,CO-ADD:0148947,7.96,c1(c2c([nH]c1)cccc2)C(=O)C(=O)NCc(cc3)ccc3OC,0.0
23362,CO-ADD:0148971,7.96,c12n(cc(Cc3cccc(Cl)c3)s1)cc(c4ccccc4)n2,0.0
23363,CO-ADD:0149779,7.96,ClC(C(C#N)=C1C2=CC=CC=C2)=NC(SC3=CC=CC=C3)=C1C#N,0.0
23364,CO-ADD:0149603,7.96,CN(C(CN(CC1=CN(CC2=CC=CC=C2)N=N1)C)=C3)C(C3=C4)=CC=C4OCCCC5CCN(CC6=CC=CC=C6)CC5,0.0
23365,CO-ADD:0149724,7.96,CC1CN(C)C(N1C2=N)=C(C(C3=CC=CC=C3)=C2C#N)C#N,0.0
23366,CO-ADD:0137692,7.96,c1(N=C2)c(nsc1C(OCC)=O)C(=O)N2,0.0
23367,CO-ADD:0149234,7.96,c1(OC)ccc(n(c(c2C3c(cc(OCO4)c45)cc5)NC(=O)C3)cn2)cc1,0.0
23368,CO-ADD:0149446,7.96,n(c1c(c2c3cc(OCO4)c4c(OC)c3)N(C(N1)=O)C)c(c25)N(C(C)C)NC5=O,0.0
23369,CO-ADD:0149107,7.96,N([C@@H](c1ccccc1)[C@H](N2)c3ccccc3)=C2c4ccccc4,0.0
23370,CO-ADD:0149286,7.96,c(c(cc1)ccc1O)(nc2c(cc3)cc4c3OCO4)on2,0.0
23371,CO-ADD:0149053,7.96,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)ccc(F)c4)c2)cc1,0.0
23372,CO-ADD:0149612,7.95,O=C1CC(C2=CC=CC=C2)C3=C(N=C(CCCC4)C4=C3N)N1,0.0
23373,CO-ADD:0137851,7.95,O=C(N)C(C1C)=NOC1C(C(OC)=C2OC)=C(Br)C3=C2OCO3,0.0
23374,CO-ADD:0149526,7.95,c(OC)(cc1c2c(c3ccc(OC)c([N+](=O)[O-])c3)c[nH]n2)c(OC)c(OC)c1,0.0
23375,CO-ADD:0149287,7.95,COc1c(OC)cc(c(nc2c(cc3)cc(OC)c3OC)on2)cc1OC,0.0
23376,CO-ADD:0149337,7.95,c(cc(O)cc1)(c1C2c(cc3)c(Cl)cc3)NC(=O)C2,0.0
23377,CO-ADD:0148688,7.95,s1c(NCC)nc2c1C(c3c(OC)c(O)c(O)c(OC)c3)CC(N2)=O,0.0
23378,CO-ADD:0149757,7.95,NC(OC1=C2C(C=CC=C3)=C3C=C1)=C(C2C4=CC([N+]([O-])=O)=CC=C4)C#N,0.0
23379,CO-ADD:0153050,7.95,NC1=C(CNC2=CC=CC(F)=C2)C=NC(C)=N1,0.0
23380,CO-ADD:0149696,7.95,NC1=NN(C(N=C2C)=C1C=C2C#N)C,0.0
23381,CO-ADD:0149497,7.95,c(cc1C(=O)\C=C\c(c(Cl)c(OC)c(OCC2=O)c3N2)c3Cl)c(OC)cc1,0.0
23382,CO-ADD:0137854,7.95,COC1=C2C(OCO2)=CC(CC(N)C)=C1OC,0.0
23383,CO-ADD:0149461,7.95,C(c(c1O2)ccc(OC)c1)(c(cc(OCO3)c3c4OC)c4)C(=C2C5)C(O5)=O,0.0
23384,CO-ADD:0149493,7.95,C(C([H])(C(C1=O)(CC2(N1)CC2)N)C([H])(O)C3)C(=C(C)C4)[C@]3(C)CC4,0.0
23386,CO-ADD:0149008,7.95,c(Cc(cccc1OC)c1O2)(c3)c(c([nH]3)c4)c2cc4[N+](=O)[O-],0.0
23387,CO-ADD:0149064,7.95,c1(c2c([nH]c1)cccc2)C(=O)C(=O)Nc(ccc(c34)OCCO3)c4,0.0
23388,CO-ADD:0149322,7.95,C(c(c1N2)ccc(OC)c1)(c(cc(OC)cc3OC)c3)C(=C2C4)C(O4)=O,0.0
23389,CO-ADD:0149001,7.95,O1c(ccc(c2)Br)c2C=Cc(ccc(N)c3)c13,0.0
23390,CO-ADD:0149474,7.95,c1(N)c(c(cc2)ccc2OC)n(c(cc3OC)cc(OC)c3OC)nn1,0.0
23391,CO-ADD:0149041,7.95,c(C(=O)C(N)=O)(c1c(n2Cc(cc3)ccc3F)cccc1)c2,0.0
23392,CO-ADD:0153090,7.95,O=C(NC1=CN(C)C(C(NC2=CN(C)C(C(NCCCN(C)C)=O)=C2)=O)=C1)C3=NC=C(C=CC=C4)C4=C3.OC(C(F)(F)F)=O,0.0
23393,CO-ADD:0149622,7.95,NC1=C(C2=CC(O)=CC=C2N1CC#C)C#N,0.0
23394,CO-ADD:0149799,7.95,[H]N1C(C2C[C@@H]3CC[C@H]2N3C(C(F)(F)F)=O)=NN=N1,0.0
23395,CO-ADD:0149629,7.95,CN(C(C(N1CCOCC1)=O)=C2)C(C2=C3)=CC=C3OCCCC(CC4)CCN4CC5=CC=CC=C5,0.0
23396,CO-ADD:0149051,7.95,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)c(Cl)ncc4)c2)cc1,0.0
23398,CO-ADD:0148668,7.95,c12c(C(CC(=O)N1)c3ccc(cc3)F)snc2c4ccc(cc4)F,0.0
23399,CO-ADD:0148993,7.95,O1c2c(cccc2)C=Cc(ccc(N)c3)c13,0.0
23400,CO-ADD:0153093,7.95,O=C(NC1=CN(C)C(C(NC2=CN(C)C(C(NCCN3CCOCC3)=O)=C2)=O)=C1)C(C=C4)=CC=C4/C=C/C5=CC=C(F)C=C5.OC(C(F)(F)F)=O,0.0
23401,CO-ADD:0153098,7.95,O=C(C1=CC(NC(C2=CC(C=CC=C3)=C3OC2=O)=O)=CN1C)NC4=CN(C(C)C)C(C(NC5=CN(C)C(C(NCCCN(C)C)=O)=C5)=O)=C4.OC(C(F)(F)F)=O,0.0
23403,CO-ADD:0149132,7.95,C(O1)Oc(cc(NC(=O)C(=O)c(c(cc2Br)c(n3Cc(cc4)ccc4Cl)cc2)c3)cc5)c15,0.0
23404,CO-ADD:0149137,7.95,c(Oc(cc1)cc(OC)c1)(non2)c2N,0.0
23405,CO-ADD:0149145,7.95,c(C1c2sccc2)(c(NC(C1)=O)c3)sc3,0.0
23406,CO-ADD:0148922,7.95,c1(nc(c2n1CC(=O)Nc3ccccc3Cl)cccc2)c4nonc4N,0.0
23407,CO-ADD:0149642,7.95,NC1=C2C(CCCC2)=NC(C1=C3)=NC(OC)=C3C#N.Cl,0.0
23408,CO-ADD:0149631,7.95,CN(C(CNC1=CC=CC=C1)=C2)C(C2=C3)=CC=C3OC,0.0
23409,CO-ADD:0240642,7.95,c1(\C(\CCC2)=N\NC(=O)Cc3cccc(cccc4)c34)c2cc(c(OC)c1)OC,0.0
23410,CO-ADD:0240173,7.95,C(=O)(N\N=C\c(c1c([nH]2)cccc1)c2)C(=O)Nc(cc3)ccc3F,0.0
23411,CO-ADD:0240355,7.95,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2)NCCOc(cc3)ccc3Cl,0.0
23412,CO-ADD:0240400,7.95,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
23413,CO-ADD:0244692,7.94,c1(N(c2ccccc2)C3=O)n(c(nn1)C)c(c34)sc(c45)COC(C)(C)C5,0.0
23414,CO-ADD:0240434,7.94,N1(CC(CC1C(=O)Nc(cc2)ccc2I)O)C(=O)OC(C)(C)C,0.0
23415,CO-ADD:0245793,7.94,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)\C=C\c4ccccc4)n1,0.0
23416,CO-ADD:0246100,7.94,n1(c2ccccc2)c(SCC(=O)Nc3ccccc3F)nnc1c4cccc(OC)c4,0.0
23417,CO-ADD:0245347,7.94,C(=N\c1ccccc1Cl)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4ccccc4Cl)\N2,0.0
23418,CO-ADD:0241404,7.94,S1(=O)(=O)c(cccc2)c2C(OCCNC(=O)C(=O)Nc3ccccc3)=N1,0.0
23419,CO-ADD:0245355,7.94,c(N(CCC1c2ccccc2)CCC3c4ccccc4)(c15)c3cc(N)c5,0.0
23420,CO-ADD:0244548,7.94,c(c(C)cc(c1C(c2ccccc2)=O)C)(c1)C(c3ccccc3)=O,0.0
23421,CO-ADD:0244514,7.94,C(=O)(N\N=C/c1cc(Br)ccc1OCc2ccccc2)c3cccc(c3)NC(Cc4ccccc4)=O,0.0
23422,CO-ADD:0240280,7.94,[N+](=O)([O-])c1cc(ccc1OC)CSc2nnc(N)s2,0.0
23423,CO-ADD:0240269,7.94,N12c(c(C3C(CCC3)C1)c4)c(C5C(CCC5)C2)cc4NC(=O)c6ccc(cc6)Cl,0.0
23424,CO-ADD:0244773,7.94,n(c(NCCNC(COc1ccc(cc1Cl)Cl)=O)nc(n2)Cl)c2NCC,0.0
23425,CO-ADD:0246141,7.94,C(=C/c(ccc1c(ccc(c2Cl)Cl)c2)o1)(/C(=O)NC(N3)=S)\C3=O,0.0
23426,CO-ADD:0242088,7.94,[N+](=O)([O-])c1c(NCCOc2cccc(OC)c2)ccc(c1)C(F)(F)F,0.0
23427,CO-ADD:0242678,7.94,[N+](=O)([O-])c(cc(Oc(cc1)ccc1CCC(=O)N(CC2)CCN2c3ccc(cc3)F)cc4[N+](=O)[O-])c4,0.0
23428,CO-ADD:0241966,7.94,S(=O)(=O)(c(cccc1C(=O)Nc2sc(c3c2C#N)CCCC3)c1)N4CCCCC4,0.0
23429,CO-ADD:0242016,7.94,c(CC(NC(=O)Oc1ccccc1)C(=O)Nc2ccccc2C)(c3c([nH]4)cccc3)c4,0.0
23430,CO-ADD:0242028,7.94,C(C#N)(C(c1ccc(cc1)OCC)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
23431,CO-ADD:0246064,7.94,n1(nnc(C(=O)N\N=C\c2ccccc2F)c1CN(CC)CC)c3nonc3N,0.0
23432,CO-ADD:0246092,7.94,N1(C(=O)C(C(C(F)(F)F)=N1)\C=N\CCc(c2c([nH]3)cccc2)c3)c4sc(c5n4)cccc5,0.0
23433,CO-ADD:0240142,7.94,c1(ccc(\C=N\N(c2ccccc2)c3ccccc3)o1)c4ccc(cc4Cl)Cl,0.0
23434,CO-ADD:0240674,7.94,C1(Cl)(Cl)CC1CS(=O)(=O)CC2CC2(Cl)Cl,0.0
23435,CO-ADD:0242073,7.94,N1C(SCC(=O)Nc2scc(c3ccc(cc3)Br)n2)=NN=C(C)C1=O,0.0
23436,CO-ADD:0240929,7.94,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)nnnn1C,0.0
23437,CO-ADD:0240914,7.94,c1(c2ccco2)nnc(SCC(=O)Nc3c(C)ccc(Cl)c3)o1,0.0
23438,CO-ADD:0240957,7.94,N1(c2ccccc2)C(=S)SC(c3ccccc3)=C1N,0.0
23439,CO-ADD:0245899,7.94,C1(C(c2ccccc2)C\C(\CC)=N/NS(=O)(=O)c3ccc(cc3)C)=C(O)c4c(cccc4)OC1=O,0.0
23440,CO-ADD:0241776,7.94,c1(C#N)c(SCC(=O)NC(C2)(C3)CC(CC3CC24)C4)nsc1SCC(=O)NC(CC(CC5C6)CC67)(C7)C5,0.0
23441,CO-ADD:0241811,7.94,c1(Nc(cccc2C(F)(F)F)c2)nc(N\N=C\c3ccccc3O)nc(NC)n1.Cl,0.0
23442,CO-ADD:0246117,7.94,C(=O)(Oc1cccc(c1)\C=N/NC(=O)c2ccc(cc2)F)c(ccc(c34)OCO3)c4,0.0
23443,CO-ADD:0241234,7.94,c1(cc(ccc1NC(=O)C(F)(F)F)NC(=O)C(F)(F)F)[N+](=O)[O-],0.0
23444,CO-ADD:0245607,7.94,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n1,0.0
23445,CO-ADD:0245078,7.94,n1c(C2CCCCC2)n[nH]c1N=Nc(cc3)ccc3O,0.0
23446,CO-ADD:0245038,7.94,n1(c2c(nc1C(F)(F)F)cccc2)c(n3)nc(nc3n4c5c(nc4C(F)(F)F)cccc5)n6c7c(nc6C(F)(F)F)cccc7,0.0
23447,CO-ADD:0241930,7.93,C(=O)(c1cccc(Br)c1)NCC(=O)N\N=C\c2ccc[nH]2,0.0
23448,CO-ADD:0242379,7.93,c1(C#N)c(SCCN2CCCCCC2)nc(cc1C(F)(F)F)c3cccs3,0.0
23449,CO-ADD:0240537,7.93,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(cc5)cc(c5[N+](=O)[O-])C)o4,0.0
23450,CO-ADD:0244451,7.93,N(/NC(N)=O)=C(/c1ccccc1)\C=C\c2ccc(cc2C)C,0.0
23452,CO-ADD:0244517,7.93,C(=O)(c1ccccc1C)Nc(cccc2C(=O)N\N=C/c(cc3)ccc3OCC)c2,0.0
23453,CO-ADD:0240569,7.93,o1c(N)nnc1c2ccc(c(OC)c2)OCc3ccc(cc3Cl)Cl,0.0
23454,CO-ADD:0240292,7.93,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCO3)C1=O,0.0
23455,CO-ADD:0246080,7.93,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)N1)=C\c(cc(OCO3)c3c4)c4Cl,0.0
23456,CO-ADD:0240128,7.93,C1(C([H])(c2cc(Cl)cc(Cl)c2O)C3=C(C)N(N(c4ccccc4)C3=O)C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
23457,CO-ADD:0242906,7.93,c1(c2ccc(cc2C)C)cc(c3[nH]1)cccc3,0.0
23458,CO-ADD:0244804,7.93,c1(sc(c(ccc2[N+](=O)[O-])n1)c2)NC(=O)C(C(C)C)NC(OCc3ccccc3)=O,0.0
23459,CO-ADD:0242899,7.93,s1c(CC)ccc1\C=N\c2cc(C)ccc2C,0.0
23460,CO-ADD:0241193,7.93,c1(NC(=O)C(F)(F)F)oc(c(c2ccc(cc2)OC)c1C#N)c3ccc(cc3)OC,0.0
23461,CO-ADD:0241637,7.93,N1(c2ccc(cc2)F)C(=O)C(CC1=O)Nc(cc3)ccc3OC,0.0
23462,CO-ADD:0246200,7.93,c1(c(cccc1Cl)Cl)\N=C\C#Cc2ccccc2,0.0
23463,CO-ADD:0241893,7.93,C(=C\c1cc(Br)cc(Br)c1OC)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
23464,CO-ADD:0244448,7.93,C(OC)(=O)Nc(cc1)ccc1F,0.0
23465,CO-ADD:0242333,7.93,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c2ccccc2C(F)(F)F,0.0
23466,CO-ADD:0240513,7.93,[N+](=O)([O-])c1ccc(cc1)N\N=C\C=C\c2ccccc2O,0.0
23467,CO-ADD:0245543,7.93,N1(NC(=O)c2cccc(Cl)c2)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
23468,CO-ADD:0244996,7.93,C(C(C)O)(NC(OCc1ccccc1)=O)C(=O)OCc2ccccc2,0.0
23469,CO-ADD:0242092,7.93,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)C(C3C1=O)C(c4ccccc4)CCC3c5ccccc5,0.0
23470,CO-ADD:0242248,7.93,C(=C/c(ccc1c(cccc2C(O)=O)c2)o1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
23471,CO-ADD:0241188,7.93,N1(CC(OC2=O)=Nc(c23)cc(c(OC)c3)OC)C(=O)c4c(cccc4)C1=O,0.0
23472,CO-ADD:0242471,7.93,N1(c2ccccc2)C(=S)c3c(C(c4ccc(cc4)Br)=N1)cccc3,0.0
23473,CO-ADD:0242251,7.93,C(=C/c(ccc1c(cccc2[N+](=O)[O-])c2)o1)(/C3=O)\C(=O)c4c3cccc4,0.0
23474,CO-ADD:0242542,7.93,c(CC(NC(=O)Oc1ccccc1)C(=O)Nc2ccccc2)(c3c([nH]4)cccc3)c4,0.0
23475,CO-ADD:0246215,7.93,N(c1ccccc1I)C(CCC(=O)N\N=C\c2ccccc2)=O,0.0
23476,CO-ADD:0242862,7.93,C(C#N)(C(c1ccc(c2c1)OCO2)C3=C(N4c5ccc(cn5)Br)CCCC3=O)=C4N,0.0
23477,CO-ADD:0245454,7.93,c1(C#N)c2c(sc1\N=C\c(ccc3c(ccc(c4C(O)=O)Cl)c4)o3)CCCC2,0.0
23478,CO-ADD:0241583,7.93,n1(c(C)c(nn1)\C(\C)=N\N=C(/C)\c2ccc(cc2F)F)c3nonc3N,0.0
23479,CO-ADD:0245789,7.93,N1(c2cccc(OC(C)=O)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cccn4)c4,0.0
23480,CO-ADD:0241653,7.93,C12(c3c(NC1=O)cccc3)C(C(OC)=O)=C(C)OC(N)=C2C(OCC=C)=O,0.0
23481,CO-ADD:0244377,7.93,S1(=O)(=O)c2c(C(NC(c3ccccc3)c4ccc(cc4)OC)=N1)ccc(c2)[N+](=O)[O-],0.0
23482,CO-ADD:0241096,7.93,N(\C(=C/c(cc1)ccc1C(OC)=O)\C(O2)=O)=C2c3ccc(cc3)C,0.0
23483,CO-ADD:0241471,7.93,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3N(CC4)CCO4)nc(NCc5ccccc5)n1.Cl,0.0
23484,CO-ADD:0245530,7.92,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
23485,CO-ADD:0245305,7.92,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(ccc(c3Cl)C)c3)n2)N(CC4)CCO4.Br,0.0
23486,CO-ADD:0241063,7.92,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\c(cc3)ccc3I)o2)Cl)c1,0.0
23487,CO-ADD:0242539,7.92,S(=O)(=O)(N1CCCCC1)c2cccc(Cl)c2Cl,0.0
23488,CO-ADD:0242590,7.92,C(=O)(c1c(Cl)ccc(c1)[N+](=O)[O-])N2CCCc(cccc3)c23,0.0
23489,CO-ADD:0244460,7.92,C(NN)(=O)C(=O)Nc1cccc(Cl)c1,0.0
23490,CO-ADD:0244783,7.92,c1(cc(ccc1N(CC2)CCN2Cc3ccccc3)\C=N\c(ccc(c45)c6c(cccc6)o4)c5)[N+](=O)[O-],0.0
23491,CO-ADD:0244494,7.92,N(/NC(CCCCCCC)=O)=C\c1ccco1,0.0
23492,CO-ADD:0242284,7.92,C(=C/c(ccc1c2ccc(cc2)Cl)o1)(/C3=O)\Sc(c34)cccc4,0.0
23493,CO-ADD:0245764,7.92,c1(c(C)non1)N(CC(=O)N(CC2)CCO2)N=Nc3c(C)non3,0.0
23494,CO-ADD:0245056,7.92,N1(c2ccccc2[N+](=O)[O-])C(=O)C(C(C1=O)C34\C=N\c5cc(C)ccc5C)C(c(c36)cccc6)c(c47)cccc7,0.0
23495,CO-ADD:0245450,7.92,c1(N(C)C)nc(N\N=C\c2c3c([nH]c2C)cccc3)nc(Nc(cc4)ccc4F)n1,0.0
23496,CO-ADD:0241071,7.92,N1(c2ccccn2)C(=O)C3C(C4\C(=C(/C)\C)\C3C=C4)C1=O,0.0
23497,CO-ADD:0241654,7.92,C12(c3c(NC1=O)cccc3)C(C(OCCOC)=O)=C(C)OC(N)=C2C(OCC=C)=O,0.0
23498,CO-ADD:0241703,7.92,n1c(ccc(C#N)c1SCc(cc2)ccc2Br)c3cccs3,0.0
23499,CO-ADD:0245538,7.92,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2C(C)(C)C)N(CC3)CCN3CCO,0.0
23500,CO-ADD:0241447,7.92,n1(c2c(n3)cccc2)c3S\C(=C/c4cc(Br)cc(Br)c4O)\C1=O,0.0
23501,CO-ADD:0241407,7.92,N1(c2ccccc2)C(=O)\C(=C/c(cc3)ccc3OC)\NC(c4ccccc4)=N1,0.0
23502,CO-ADD:0241376,7.92,n1(nnc(C(=O)N\N=C\c(cc2)ccc2OCCCC)c1CN(CC)CC)c3nonc3N,0.0
23503,CO-ADD:0246229,7.92,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCC(=O)Nc2c(C)cc(cc2C)C)=O,0.0
23504,CO-ADD:0245564,7.92,N1(C(c2ccc(c(OC)c2)OC)CC(c3cccs3)=N1)c4scc(c(cc5)ccc5c6ccccc6)n4.Br,0.0
23505,CO-ADD:0244475,7.92,n1(c2ccccc2)nnnc1SCc(cc3)ccc3Cl,0.0
23506,CO-ADD:0241178,7.92,c1(C(O)=O)cc(OC)c(cc1NC(=O)c(cc2)ccc2[N+](=O)[O-])OC,0.0
23507,CO-ADD:0240479,7.92,c1(SCC(=O)Nc(ccc(c2C)C)c2)sc(c3n1)cccc3,0.0
23508,CO-ADD:0240327,7.92,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(=O)NC(C)c3ccccc3,0.0
23509,CO-ADD:0240659,7.92,n1(nnc(C(OCC)=O)c1CNCc(cccn2)c2)c3nonc3N,0.0
23510,CO-ADD:0240592,7.92,c1(c(SC)nsc1SC)NC(=O)N2CCCC2,0.0
23511,CO-ADD:0241600,7.92,N1(CC(=O)N(C)C)C(=O)C2C(CC(CC2)=O)C1=O,0.0
23512,CO-ADD:0244360,7.92,P(=O)(Oc1cccc(C)c1)(Oc2cccc(C)c2)N\N=C\c3ccc(cc3O)O,0.0
23513,CO-ADD:0244236,7.92,c1(C(OCC)=O)c(cc(cc2)OC(NCCCC)=O)c2n(C)c1C,0.0
23514,CO-ADD:0241013,7.92,n(c(c1)c2ccc1C(=O)N(CCC)Cc3ccccc3)c(c4ccccc4)c(n2)c5ccccc5,0.0
23515,CO-ADD:0245717,7.92,c1([N+](=O)[O-])nn(c(C)c1Cl)CC(=O)Nc(c2)cc(cc2Oc(cccn3)c3)Oc4ccccc4,0.0
23516,CO-ADD:0241034,7.92,C(F)(F)(F)c(ccc(c1\N=C\c2cc(Br)ccc2O)Oc3ccccc3)c1,0.0
23517,CO-ADD:0241883,7.92,C(=C\c(ccc1c2c(Cl)ccc(c2)[N+](=O)[O-])o1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
23518,CO-ADD:0246169,7.92,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3)ccc3F,0.0
23519,CO-ADD:0245879,7.92,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C(/C)\c(ccc(c45)OCCO4)c5,0.0
23520,CO-ADD:0241895,7.92,C(=C\c(c(Cl)cc(c1[N+](=O)[O-])Cl)c1)(/C2=O)\C(=O)NC(=O)N2,0.0
23521,CO-ADD:0241359,7.92,C(=O)(OCC(=O)Nc1cccc(cccc2)c12)c3ccco3,0.0
23522,CO-ADD:0242115,7.92,[N+](=O)([O-])c(cccc1C(=O)NCC(=O)OCC(c2ccccc2)=O)c1,0.0
23523,CO-ADD:0242228,7.92,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\NC(=O)c(cccn3)c3)o2)Cl)c1,0.0
23524,CO-ADD:0241027,7.92,C1(Nc2c(C(O)=O)cc(cc2[N+](=O)[O-])[N+](=O)[O-])=C(C)N(N(c3ccccc3)C1=O)C,0.0
23525,CO-ADD:0241058,7.92,N1(N=C(CC1(O)c2ccc(cc2)Cl)C)C(=O)c3ccccc3Br,0.0
23526,CO-ADD:0245593,7.91,N1(CCc(ccc(c2OC)OC)c2)C(=O)CC(N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-])C1=O,0.0
23527,CO-ADD:0242764,7.91,n1c2c(oc1c(cccc3NC(=O)c4cccc(cccc5)c45)c3)ccc(Cl)c2,0.0
23528,CO-ADD:0244671,7.91,C(=O)(N\N=C\c(cc1)ccc1OC)C(=O)Nc2cccc(cccc3)c23,0.0
23529,CO-ADD:0244697,7.91,C(=C\c(cc1)ccc1N(C)C)/C(=O)c2ccc(cc2)NC(CC)=O,0.0
23530,CO-ADD:0244396,7.91,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCN3c4ccccc4Cl)C1=O,0.0
23531,CO-ADD:0241090,7.91,N1(C(c2ccc(cc2)Cl)CC(c3ccc(cc3)C)=N1)c4scc(c5ccc(cc5)F)n4.Br,0.0
23532,CO-ADD:0245012,7.91,C1(C(F)(F)F)(C(F)(F)F)N=C(OC)OC(N2CCCCC2)=N1,0.0
23533,CO-ADD:0241852,7.91,c1(Nc(cc2)ccc2OC)nc(N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])nc(NCc(cco5)c5)n1,0.0
23534,CO-ADD:0244393,7.91,N1(c2ccccc2)C(=S)c3c(C(c4ccc(cc4)Cl)=N1)cccc3,0.0
23535,CO-ADD:0245344,7.91,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c5ccc(cc5)Br)o4)\C1=O,0.0
23536,CO-ADD:0245278,7.91,C(C#N)(C1c2ccc(cc2)OCC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,0.0
23537,CO-ADD:0241385,7.91,c1(C(=O)OCC(=O)c2ccc(cc2)Cl)c(cccc1[N+](=O)[O-])C(=O)OCC(=O)c3ccc(cc3)Cl,0.0
23538,CO-ADD:0245065,7.91,C(C#N)(C(c1scc(Br)c1)C2=C(N3c4ccc(cn4)Br)CC(C)(C)CC2=O)=C3N,0.0
23539,CO-ADD:0245837,7.91,C(CC1COCCO1)(C(N)=O)C(N)=O,0.0
23540,CO-ADD:0241740,7.91,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccccc3)C2c(ccs4)c4,0.0
23541,CO-ADD:0246112,7.91,C(=N\NC(=O)\C(=C\c1ccccc1)\NC(c2ccccc2)=O)(/c3c(N4)ccc(I)c3)\C4=O,0.0
23542,CO-ADD:0241451,7.91,n1(c2c(n3)cccc2)c3S\C(=C/c4ccccc4OC)\C1=O,0.0
23543,CO-ADD:0240213,7.91,C(=N\c(cc1)ccc1C(N)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
23544,CO-ADD:0240488,7.91,C1(=S)N(c2ccccc2)C3(\C(=N\c4cccc(C)c4)\N1)CCCC3,0.0
23545,CO-ADD:0240644,7.91,N1(CC(=O)[O-])C(C)(O)C(OC1=O)(C)C.[Na+],0.0
23546,CO-ADD:0245558,7.91,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCO4,0.0
23547,CO-ADD:0244398,7.91,N1(c2ccc(cc2)OCCCCCC)C(=O)C(CC1=O)S\C(\Nc3ccccc3)=N/c4ccccc4,0.0
23548,CO-ADD:0244227,7.91,C(C#N)(C1c2cccs2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
23549,CO-ADD:0245456,7.91,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(cc3OC)cc(c3OC)OC)n1.CC(=O)O,0.0
23550,CO-ADD:0245014,7.91,c1(c(O)ccc(cccc2)c12)\C=N\c3ccc(c(cccn4)c34)OC,0.0
23551,CO-ADD:0245030,7.91,c(C#N)(c1c2ccccc2)c(\N=C\c(cc3)ccc3I)oc1c4ccccc4,0.0
23552,CO-ADD:0245402,7.91,n1(c(cc(C)cc2C)c2n3)c3S\C(=C\C=C\c4ccccc4)\C1=O,0.0
23553,CO-ADD:0242987,7.91,N(/c(cc1)ccc1I)=C\c(ccc(c2OC)OCc3cccc(Br)c3)c2,0.0
23554,CO-ADD:0242886,7.91,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3ccccc3Br,0.0
23555,CO-ADD:0245663,7.91,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,0.0
23556,CO-ADD:0245029,7.91,C(C(N)=O)(C(N)=O)Cc1cc(ccc1OC(C)C)C(C)=O,0.0
23557,CO-ADD:0241733,7.91,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2F)F,0.0
23558,CO-ADD:0244909,7.91,C1(C2NC(SCC(=O)O)=[N+]1[H])N(CC)C(=O)N2.[Br-],0.0
23559,CO-ADD:0245959,7.91,n1c(c2ccc(cc2)Cl)csc1N\N=C(/C)\c(cc3)ccc3C(C)(C)C,0.0
23560,CO-ADD:0244652,7.91,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(cc3)ccc3OCc4cccc(Cl)c4,0.0
23561,CO-ADD:0241024,7.91,c1(SCCOc(ccc(c23)cccc2)c3)sc(c4n1)cccc4,0.0
23562,CO-ADD:0242212,7.91,[C@@]1(C)(CC2)C(C[C@@H](C(N)C(O)=O)[C@]1(O)C(C)=O)C(C23)CC=C(C[C@@H](O)CC4)[C@@]34C,0.0
23563,CO-ADD:0245873,7.91,[N+](=O)([O-])c1ccc(cc1)N\N=C(\C2)/c(cccc3)c3C2=O,0.0
23564,CO-ADD:0244869,7.91,[C@@]([H])(N(C)C(=O)N1C)([C@@]1([H])N2)N3C(S[C@@]4([C@H](c(c5)ccc([N+](=O)[O-])c5)CN(C)[C@@]4(C6=O)c(cc7)c(cc7)N6)C3=O)=N2,0.0
23565,CO-ADD:0241544,7.91,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
23566,CO-ADD:0241830,7.91,c1(N(CC2)CCO2)nc(N\N=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3)nc(Nc(ccc(c5Cl)C)c5)n1,0.0
23567,CO-ADD:0245820,7.9,C(=N/c1ccccc1)(/SC(C2=O)CC(=O)Nc3ccccc3[N+](=O)[O-])\N2C,0.0
23568,CO-ADD:0241180,7.9,N(C(=O)NC=C1NC(=O)Cc2cccs2)C1=O,0.0
23569,CO-ADD:0242786,7.9,c1(C(=O)C=CN2CCC)c2ccnc1C(F)(F)F,0.0
23570,CO-ADD:0242264,7.9,c(Nc1ccccc1)(nc(N\N=C\c2ccccc2Cl)nc3Nc4ccccc4)n3,0.0
23571,CO-ADD:0245770,7.9,c1(c(cc(cc2c3nnc(c4ccccc4)o3)NC(=O)c(cc5)ccc5[N+](=O)[O-])c2)nnc(c6ccccc6)o1,0.0
23572,CO-ADD:0242035,7.9,S(=O)(=O)(c1cccc(c1)C(=O)NCc2cccs2)N3CCCCC3,0.0
23573,CO-ADD:0242074,7.9,s1c(C(C)C)nnc1NC(=O)c2ccc(cc2)NC(=O)C(F)(F)F,0.0
23574,CO-ADD:0242448,7.9,C(c1ccccc1)(CC2)(CCN2CC(=O)Nc3c(OC)ccc(Cl)c3)C(OCC)=O.Cl,0.0
23575,CO-ADD:0241665,7.9,N12C(S\C(=C/c(ccc(c3OC)OC)c3)\C1=O)=C(C(c4ccc(c(OC)c4)OC)C(C(OCC)=O)=C2N)C#N,0.0
23576,CO-ADD:0242830,7.9,C(C#N)(C1c2ccc(cc2)OCC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
23577,CO-ADD:0242982,7.9,c1(P(c2ccccc2)c3ccccc3)c([O-])on[n+]1c4ccccc4,0.0
23578,CO-ADD:0244258,7.9,C(=O)(c(cc1)ccc1N(C)C)Oc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)C,0.0
23579,CO-ADD:0244665,7.9,N1(CN(CC)CC)c(cccc2)c2\C(=N\c3cccc(C)c3)\C1=O,0.0
23580,CO-ADD:0244264,7.9,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3Br)c1,0.0
23581,CO-ADD:0241559,7.9,N1(\N=C\c2cc(OC)c(cc2[N+](=O)[O-])OC)C(=O)c3c(cccc3)C1=O,0.0
23582,CO-ADD:0241279,7.9,c1(\C=N\NC(=O)CC2(C)OCCO2)c(OCC)ccc(cccc3)c13,0.0
23583,CO-ADD:0241720,7.9,C(O1)(\C(\C2)=C\c3cccc(Br)c3)=C(CN2C)C(C(C#N)=C1N)c4cccc(Br)c4,0.0
23584,CO-ADD:0246093,7.9,N1(NC(=O)c2ccc(cc2)Br)C(=O)C(C(C34)C1=O)C(c(c35)cccc5)c6c4cccc6,0.0
23585,CO-ADD:0241647,7.9,n(c(C)c1C)c(c2)c(n1)ccc2C(=O)Nc(cc3)ccc3OC,0.0
23586,CO-ADD:0246187,7.9,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3OCC)cc(c3O)I,0.0
23587,CO-ADD:0242110,7.9,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)NCc(cc3)ccc3Cl,0.0
23588,CO-ADD:0242548,7.9,c1(sc(c(c(cc2)ccc2c3ccccc3)n1)C)NC(=O)c(cccn4)c4,0.0
23589,CO-ADD:0240846,7.9,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)c(Cl)cc3[N+](=O)[O-],0.0
23590,CO-ADD:0244195,7.9,N1(c(cc2)ccc2C(=O)Nc3ccccc3C(O)=O)C(=O)c(c4C1=O)ccc(c4)[N+](=O)[O-],0.0
23591,CO-ADD:0240390,7.9,C(C#N)(C1c2ccc(cc2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
23592,CO-ADD:0240380,7.9,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(\c3c4cccc3)/c5c4ccc(c5)[N+](=O)[O-])c6nonc6N,0.0
23593,CO-ADD:0244703,7.9,C(O)(=O)c1ccc(cc1)\C=N\c(cc2)ccc2\N=C\c(cc3)ccc3C(O)=O,0.0
23594,CO-ADD:0244289,7.9,C(c1ccccc1)(=O)Oc(cc2)ccc2NC(C)=O,0.0
23595,CO-ADD:0244667,7.9,S(c1ccccc1)(=O)(=O)N(c2cccc(Br)c2)CC(=O)N\N=C\c(cc3)ccc3OC(=O)c4ccc(c(OC)c4)OC,0.0
23596,CO-ADD:0244303,7.9,c1(OCC(=O)N\N=C\c2cc(Br)ccc2O)c(OC)cc(cc1Br)Br,0.0
23597,CO-ADD:0244691,7.9,C(NCCSSCCNC(=O)c1ccccc1C)(=O)c2ccccc2C,0.0
23598,CO-ADD:0244283,7.9,N(C(CCC(=O)N\N=C\c1cccc(OC)c1)=O)c2ccc(cc2C)C,0.0
23599,CO-ADD:0242732,7.9,N1(c2ccccc2C(O)=O)C(=O)c3c(cccc3)C1=O,0.0
23600,CO-ADD:0241432,7.9,c1(N(C)C)nc(N\N=C\c2ccccc2C(F)(F)F)nc(Nc(cc3)ccc3F)n1.Cl,0.0
23601,CO-ADD:0245364,7.9,C1(CC1)(C23)C(C(C2Br)OC4=O)C4C3C(O)=O,0.0
23602,CO-ADD:0242933,7.89,P1(=O)(OCCC(C)O1)C(c2ccco2)Nn(cnn3)c3,0.0
23603,CO-ADD:0245337,7.89,C(C#N)(C1c2ccc(cc2)F)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
23604,CO-ADD:0245609,7.89,c1(NC(=O)c(cc2)ccc2S(=O)(=O)N(CCC)CCC)sc(c3c1C(OCC)=O)CCCC3,0.0
23605,CO-ADD:0240151,7.89,C(=O)(NCC(OCC)=O)c1cccc(cccc2)c12,0.0
23606,CO-ADD:0242519,7.89,N1c2c(\C(=N\c(cc3)ccc3C(O)=O)\C1=O)cccc2C,0.0
23607,CO-ADD:0242441,7.89,C(=O)(c1ccc(cc1)OCC(C)C)NC(c2ccccc2)CC(=O)[O-].[Na+],0.0
23608,CO-ADD:0240256,7.89,n1c2c(oc1c3ccc(cc3)NC(=O)c(cccc4[N+](=O)[O-])c4)cccc2,0.0
23609,CO-ADD:0240824,7.89,c1(C(=O)N\N=C\c2ccccc2)c(C)nc(cc(C)cc3)n13,0.0
23610,CO-ADD:0240810,7.89,N1(Cc(cc2)ccc2S(=O)(=O)NC3CCCCCCC3)C(=O)c4c(cccc4)C1=O,0.0
23611,CO-ADD:0240582,7.89,C(OCC)(=O)c1ccc(cc1)NC(CSCC(=O)OCC(c2ccccc2)=O)=O,0.0
23612,CO-ADD:0245469,7.89,c1(C(=O)N\N=C\c(ccc2c3ccccc3[N+](=O)[O-])o2)nonc1N,0.0
23613,CO-ADD:0245733,7.89,n1(nnc(C(=O)N\N=C\c2cccc(O)c2)c1c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
23614,CO-ADD:0242781,7.89,S(c1ccccc1N)C(c2ccc(cc2)OC)CC(c3ccccc3)=O,0.0
23615,CO-ADD:0242731,7.89,[N+](=O)([O-])c1ccc(cc1)NCCCNC(=O)c2ccc(cc2)Cl,0.0
23616,CO-ADD:0241536,7.89,c1(c(C)cc(cc1C)C)NC(=O)C\C(\C)=N\NC(=O)OC(C)(C)C,0.0
23617,CO-ADD:0241126,7.89,c1(C(=O)C2CC2)oc(c3c1NC(CSc4ccccn4)=O)cccc3,0.0
23618,CO-ADD:0245674,7.89,C(=O)(C(O)c1ccccc1)N\N=C(/C2)\c3c(CC2)cccc3,0.0
23619,CO-ADD:0242158,7.89,N1(N=C(CC1(C)O)C)C(=O)c2ccccc2[N+](=O)[O-],0.0
23620,CO-ADD:0242896,7.89,c1(c(cccc2)c2C3(CCC(OCC)=O)CCC(OCC)=O)c3cc(cccc4)c4n1,0.0
23621,CO-ADD:0241117,7.89,S(=O)(=O)(c1ccc(cc1)NC(c2ccccc2)=O)Nc3nccc(C)n3,0.0
23622,CO-ADD:0245736,7.89,N(=C(\N)/N(CC1)CCN1C(=O)Oc(cc2)ccc2[N+](=O)[O-])/[N+](=O)[O-],0.0
23623,CO-ADD:0240224,7.89,c12c(c3c(cccc3)c(cccc4)c14)nc(ccc5C(=O)Nc(cc6)ccc6C(OC)=O)c(c5)n2,0.0
23624,CO-ADD:0242558,7.89,C1(=Cc2c(OC1=O)ccc(OC)c2)c3csc(\N=C\c4ccccc4O)n3,0.0
23625,CO-ADD:0242541,7.89,N1(c2cccc(C)c2)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
23626,CO-ADD:0240826,7.89,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)S\C(\NCC)=N/CC,0.0
23627,CO-ADD:0240773,7.89,C(NCCSSCCNC(=O)Nc(ccc(c1Cl)Cl)c1)(=O)Nc(ccc(c2Cl)Cl)c2,0.0
23628,CO-ADD:0240325,7.89,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(=O)NCc3ccco3,0.0
23629,CO-ADD:0244847,7.89,C(N(c1ccccc1)C(=O)N2C)(C2N3)N4C(S\C(=C(/C5=O)\c6c(cccc6)N5)\C4=O)=N3,0.0
23630,CO-ADD:0241784,7.89,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c(cc3)ccc3C(F)(F)F,0.0
23631,CO-ADD:0244209,7.89,c1(ccc(cc1O)O)\C=N\c(cc2)ccc2F,0.0
23632,CO-ADD:0242772,7.89,N1(c2ccccc2C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)OC,0.0
23633,CO-ADD:0244175,7.89,N(/c(cc1)ccc1Nc2ccccc2)=C\c(cc3)ccc3Br,0.0
23634,CO-ADD:0244891,7.89,C1(C2NC(=S)N1)N(C)C(=O)N2C,0.0
23635,CO-ADD:0242985,7.88,c(\C=N\NC(CCCCCCC)=O)(cc(OCO1)c1c2)c2Br,0.0
23636,CO-ADD:0245289,7.88,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C/c6cc(Cl)ccc6O)n1,0.0
23637,CO-ADD:0245563,7.88,N(\C(=C/c(cc1)ccc1OC(c2ccccc2)=O)\C(O3)=O)=C3c(cc4)ccc4C(C)(C)C,0.0
23638,CO-ADD:0245650,7.88,n1c(N(CC2)CCO2)cc(O)n1c(cc3)ccc3[N+](=O)[O-],0.0
23639,CO-ADD:0241500,7.88,C(=O)(N\N=C(/C)\CC(NCC)=O)C(=O)Nc1cc(C)ccc1OC,0.0
23640,CO-ADD:0242686,7.88,c1(SCC(=O)N\N=C\c2ccco2)ncccn1,0.0
23641,CO-ADD:0240897,7.88,n1(c(C)c(nn1)\C(\C)=N\N=C(/C)\c2ccc(cc2)Cl)c3nonc3N,0.0
23642,CO-ADD:0240611,7.88,c1(Sc2ccc(\C=N\c(ccc(c3s4)nc4SC)c3)o2)nnnn1c5ccccc5,0.0
23643,CO-ADD:0241996,7.88,N1(c(cc2Cl)cc(c2Cl)Cl)C(=O)C(C3(C)C1=O)C(CC34)C=C4,0.0
23644,CO-ADD:0244505,7.88,C(=O)(c1cccc(c1)NC(C)=O)Nc2ccccn2,0.0
23645,CO-ADD:0245041,7.88,c1([nH]c(c2n1)cccc2)\C(\C#N)=C/c(c(ccc3[N+](=O)[O-])OCc4ccc(cc4Cl)Cl)c3,0.0
23646,CO-ADD:0241092,7.88,N1(c2cccc(c2)c(csc3N4C(c5ccc(cc5)Cl)CC(c6ccc(cc6)C)=N4)n3)C(=O)c7c(cccc7)C1=O.Br,0.0
23647,CO-ADD:0242651,7.88,C1(=C(O)CC(C)(C)CC1=O)C(c2ccc(c(OC)c2)OCC=C)C3C(=O)CC(CC3=O)(C)C,0.0
23648,CO-ADD:0244849,7.88,C(N(c1ccccc1)C(=O)N2C)(C2N3)N4C(S\C(=C(/C5=O)\c6c(cccc6)N5CCCC)\C4=O)=N3,0.0
23649,CO-ADD:0242665,7.88,N(\C(=C/c1cccc(c1)OCc2ccccc2)\C(O3)=O)=C3c4ccccc4,0.0
23650,CO-ADD:0246162,7.88,c(C#N)(c(\C(\C#N)=C\c(cc1OC)cc(c1OCC#C)I)nn2c3ccccc3)c2N,0.0
23651,CO-ADD:0241230,7.88,N(c1cccc(c1)[N+](=O)[O-])(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
23652,CO-ADD:0244823,7.88,C(N12)(C(N3C1=S)N4CN(CCO)C3)N(CN(CCO)C2)C4=O,0.0
23653,CO-ADD:0242684,7.88,S(=O)(=O)(c1ccc(cc1)Cl)n2ccnc2C,0.0
23654,CO-ADD:0242663,7.88,N(c1ccc(cc1C)C)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
23655,CO-ADD:0242393,7.88,S(=O)(=O)(N1CCCCCC1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c(cc3)ccc3Cl,0.0
23656,CO-ADD:0242329,7.88,C(C#N)(C1c2ccccc2)=C(N)Oc3c1cc(cccc4)c4c3O,0.0
23657,CO-ADD:0242685,7.88,c1(SCC(=O)N\N=C\c2ccc(cc2Cl)Cl)ncccn1,0.0
23658,CO-ADD:0244933,7.88,C1(C2NC(=S)N1)N(C(CO)CC)C(=S)N2c(c3)cccc3,0.0
23659,CO-ADD:0240113,7.88,C(=O)(C(CCCC)(CCCC)O)NNc(cc1)ccc1Br,0.0
23660,CO-ADD:0244511,7.88,N1(SC2C(Cl)C(C=CC23)c4c3c(F)c(c(F)c4F)F)C(=O)c(c5C1=O)cccc5,0.0
23661,CO-ADD:0240252,7.88,S1(=O)(=O)c2c(C(Nc3cc(C)c(cc3[N+](=O)[O-])C)=N1)ccc(c2)[N+](=O)[O-],0.0
23662,CO-ADD:0240159,7.88,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(cc3)ccc3OC,0.0
23663,CO-ADD:0244674,7.88,C(=O)(N\N=C\c1cc(Br)ccc1OC)C(=O)Nc2cccc(Br)c2,0.0
23664,CO-ADD:0240898,7.88,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3cc(OC)ccc3O)c4nonc4N,0.0
23665,CO-ADD:0244897,7.88,C1(C2NC(=S)N1)N(CCCC)C(=O)N2,0.0
23666,CO-ADD:0241822,7.88,c1(N(CC2)CCO2)nc(N\N=C\c(ccc3c4ccc(cc4Cl)[N+](=O)[O-])o3)nc(Nc(cccc5C(F)(F)F)c5)n1,0.0
23667,CO-ADD:0244867,7.88,[C@@]([H])(N(C)C(=O)N1C)([C@@]1([H])N2)N3C(S[C@]4([C@@H](c(c5)ccc([N+](=O)[O-])c5)CN(C)[C@]4(C6=O)c(cc7)c(cc7)N6)C3=O)=N2,0.0
23668,CO-ADD:0241802,7.88,C(/c1ccc(cc1)Cl)(\N(CC2)CCO2)=N\OC(=O)Nc(cc3)ccc3Cl,0.0
23669,CO-ADD:0246016,7.87,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)F)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
23670,CO-ADD:0245987,7.87,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2)ccn2)n3c(cccc3)c1S(CCC)(=O)=O,0.0
23671,CO-ADD:0284383,7.87,C(F)(F)(F)c(cc1)cc(c1Oc2ccccc2Cc3ccccc3)N,0.0
23672,CO-ADD:0283816,7.87,S(=O)(=O)(N(CC)CC)c1csc(C(=O)Oc(cc2)ccc2[N+](=O)[O-])c1,0.0
23673,CO-ADD:0284526,7.87,c1(SC(CC)C(=O)Nc2nnc(C)s2)nncn1C,0.0
23674,CO-ADD:0283255,7.87,C(=C\c(ccc1c2c(Cl)ccc(c2)[N+](=O)[O-])o1)(/C(=O)NC(N3CC=C)=O)\C3=O,0.0
23675,CO-ADD:0284021,7.87,S(=O)(=O)(c(cccc1C(=O)Nc2nnc(CC)s2)c1)N3CCCCCC3,0.0
23676,CO-ADD:0283158,7.87,N1(c2ccc(cc2)I)C(=O)C(CC1=O)S\C(\NC)=N\C,0.0
23677,CO-ADD:0283640,7.87,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cc3)ccc3[N+](=O)[O-])c4sc(c5c4C(OCC)=O)CCCCC5,0.0
23678,CO-ADD:0258340,7.87,C1(C(=O)OCc(ccc(c23)OCO2)c3)=C(C)NC(NC1c4ccc(c(OC)c4)OC)=O,0.0
23679,CO-ADD:0283870,7.87,c1(c2c(sc1NC(=O)c3ccccc3F)CCC2)C(=O)N4CCCC4,0.0
23680,CO-ADD:0284374,7.87,C(=O)(OC(C)(C)C)N1CCCC1C(=O)NC2CCCCCC2,0.0
23681,CO-ADD:0284414,7.87,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc(c2[N+](=O)[O-])N(CC3)CCN3C)c2,0.0
23682,CO-ADD:0259132,7.87,S(=O)(=O)(c1ccc(cc1)Cl)c(cc2)ccc2C(=O)c3ccc(cc3)Cl,0.0
23683,CO-ADD:0283650,7.87,S(=O)(=O)(N1CCCCCC1)c(ccc(c2C(=O)Nc3cccc(O)c3)Cl)c2,0.0
23684,CO-ADD:0259126,7.87,c1(C#N)c(cc(nc1SCC(=O)c(cc2)ccc2c(cc3)ccc3C(=O)CSc4nc(C)cc(C(F)(F)F)c4C#N)C)C(F)(F)F,0.0
23685,CO-ADD:0258575,7.87,c1(Oc(cc2)ccc2[N+](=O)[O-])c(c3ccccc3)nc(Nc(ccc(c4Cl)Cl)c4)s1,0.0
23686,CO-ADD:0258655,7.87,c(C(=O)c(cc1)ccc1[N+](=O)[O-])(sc(c23)nc(cc2C(F)(F)F)C)c3N,0.0
23687,CO-ADD:0258513,7.87,c1(N(CC2)CCO2)nc(NCc3ccccc3)nc(Nc(cccc4C(F)(F)F)c4)n1.Cl,0.0
23688,CO-ADD:0258290,7.87,c1(c2c3c(cccc3)cc(cccc4)c24)[nH]c(c(c(cc5)ccc5c6ccccc6)n1)c(cc7)ccc7c8ccccc8,0.0
23689,CO-ADD:0323617,7.87,C(NCC(C1)(C2)CC(CC2C3)CC13)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccccc4F,0.0
23690,CO-ADD:0323745,7.87,n1c(Cl)c(C(F)(F)F)c(c(Cl)c1N2CCCCCC2)Cl,0.0
23691,CO-ADD:0320762,7.87,C1(C(F)(F)F)(C(F)(F)F)N=C(C=CC(=C2)C)N2C(c3ccc(cc3)F)=N1,0.0
23692,CO-ADD:0283999,7.87,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4cc5c(cc4Cl)OCO5,0.0
23693,CO-ADD:0283080,7.87,C(C#N)(C(CC(N1)=O)c2ccco2)=C1SCC(OCC)=O,0.0
23694,CO-ADD:0324629,7.87,N12c(c(CC1)ccc3)c3C(=CC2=O)C,0.0
23695,CO-ADD:0284283,7.87,C1(=Cc2c(C(=O)O1)cccc2)C(=O)N3CCCCCC3,0.0
23696,CO-ADD:0284436,7.87,C(=C\c(cccc1[N+](=O)[O-])c1)(/C2=O)\C(N(CC3)CCO3)=NN2c(cc4)ccc4[N+](=O)[O-],0.0
23697,CO-ADD:0284511,7.87,c1(\C(\C)=N\NC(=O)c2ccco2)[nH]c(c3n1)cccc3,0.0
23698,CO-ADD:0283625,7.87,N1(c(ccc(c2s3)nc3SCC(=O)Nc4ccccc4C(OC)=O)c2)C(=O)c(c5C1=O)cccc5,0.0
23699,CO-ADD:0258576,7.87,C(=N\c1ccccc1)(/N(c2ccccc2)C(=C3Oc(cc4)ccc4[N+](=O)[O-])c5ccccc5)\S3,0.0
23700,CO-ADD:0283174,7.87,S(=O)(=O)(c1ccc(cc1)\N=C\c2ccco2)Nc3ccccn3,0.0
23701,CO-ADD:0278510,7.87,c(C#N)(c1c2ccccc2)c(N)nc(SCCC)c1C#N,0.0
23702,CO-ADD:0278534,7.87,c1(c[nH]cc1C)C(C)=O,0.0
23703,CO-ADD:0284545,7.87,c1(C(O)c(cc2)ccc2N(C)C)n(C(C)C)c3c(cccc3)n1,0.0
23704,CO-ADD:0278466,7.87,n1c(c2ccccc2)csc1\C(\C#N)=N\Nc(cc3)ccc3C,0.0
23705,CO-ADD:0258305,7.87,c12c(nc(cccc3)c3n1)c(c4n2CCc5ccccc5)cc(cc4)Br,0.0
23706,CO-ADD:0324016,7.87,C1(C(=O)Nc(cc2)ccc2OC(F)(Cl)F)=Cc(cccc3OC)c3OC1=O,0.0
23707,CO-ADD:0258498,7.87,c12c(non1)nc(Nc3cccc(C)c3C)c(N\N=C\c(cc(OCO4)c4c5)c5Br)n2,0.0
23708,CO-ADD:0258299,7.87,n1c(c2ccccc2)[nH]c(c(cc3)ccc3c4ccccc4)c1c(cc5)ccc5c6ccccc6,0.0
23709,CO-ADD:0259066,7.87,C1(C(N)=O)=Cc(cc(Br)cc2Br)c2OC1=N,0.0
23710,CO-ADD:0284216,7.87,C(=O)(NC(=O)NC1=O)C1(CC)c(cc2)ccc2c3ccccc3,0.0
23711,CO-ADD:0278490,7.87,c1(C2c(cccn3)c3)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
23712,CO-ADD:0278532,7.87,[nH](cc(c1C)C)c1C=O,0.0
23713,CO-ADD:0258309,7.87,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1N)c3ccc(cc3)C,0.0
23714,CO-ADD:0283088,7.87,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(cc3)C)\N2CCCCCCO,0.0
23715,CO-ADD:0320938,7.86,N1(C(C)(C)CC(CC1(C)C)OC(=O)c2ccco2)OC(c3ccccc3)=O,0.0
23716,CO-ADD:0321459,7.86,C(=O)(Nc1c(C)cccc1C)C2(CCCCC2)N(CCc(c3c([nH]4)cccc3)c4)C(=O)CNC(C)=O,0.0
23717,CO-ADD:0258484,7.86,S(=O)(=O)(c1ccc(cc1)C)Nc2ccccc2\C=N/n(cnn3)c3,0.0
23718,CO-ADD:0283813,7.86,S(=O)(=O)(N(CC)CC)c1csc(C(=O)Nc(cc2)ccc2C)c1,0.0
23719,CO-ADD:0283853,7.86,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(=C3C1c4ccc(c(OC)c4)OC)CCCC3=O,0.0
23720,CO-ADD:0284613,7.86,C(=O)(C(O)(c1ccccc1)c2ccccc2)NN(c3ccccc3)C(OC)=O,0.0
23721,CO-ADD:0258564,7.86,C(=C\c1cccc(cccc2)c12)(/C3=O)\C(=O)NC(=O)N3,0.0
23722,CO-ADD:0284675,7.86,c1(N)c(N=O)c(nn1c2ccccc2)C,0.0
23723,CO-ADD:0259070,7.86,c(c1c2ccccc2)(C3c4ccc(cc4)Cl)c([nH]n1)OC(N)=C3C#N,0.0
23724,CO-ADD:0259128,7.86,c(C#N)(c1c2ccccc2)c(SCC(=O)c(cc3)ccc3[N+](=O)[O-])nc(N)c1C#N,0.0
23725,CO-ADD:0259141,7.86,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2Cl)c3ccc(cc3)Oc(cc4)ccc4Cl,0.0
23726,CO-ADD:0258645,7.86,C(=C\c1ccccc1OCc2ccccc2)(/C3=O)\Sc(c34)cccc4,0.0
23727,CO-ADD:0284819,7.86,N(C1c2ccccc2F)(c3noc(C(C)(C)C)c3)C(=O)C(=C1C(c4ccccc4)=O)O,0.0
23728,CO-ADD:0284324,7.86,c1(N\N=C(/C)\N=Nc(cc2)ccc2Cl)sc(c3n1)cccc3,0.0
23729,CO-ADD:0284781,7.86,c1(\C=C(/c2ccc(cc2)F)\OC(=O)c3ccc(cc3)F)nc(c4n1CC(C)C)cccc4,0.0
23730,CO-ADD:0284821,7.86,c(c(cccc1)c1c(n2)c3ccccc3)(Nc4ccccn4)n2,0.0
23731,CO-ADD:0284278,7.86,C1(=S)Oc(c2S1)ccc(c2)OC(OC)=O,0.0
23732,CO-ADD:0283094,7.86,N1(c(cc2)ccc2C(=O)Nc3ccccc3C(O)=O)C(=O)c4c(cc(cc4)Oc(cc5)ccc5[N+](=O)[O-])C1=O.Cl.Cl,0.0
23733,CO-ADD:0240096,7.86,C[C@@H]([C@@]([C@@](C1(C)C)([H])[C@@]1([H])C2=O)(C)C2=C3)CC3=O,0.0
23734,CO-ADD:0236927,7.86,COC1=C(CC/C(C2=O)=CC3=CC=CO3)C2=CC=C1,0.0
23735,CO-ADD:0244010,7.86,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(c6c(C(=O)Nc7cc(N)ccc7)cccc6)=O,0.0
23736,CO-ADD:0236940,7.86,O=C(C1=CC(OC)=CC=C1CC/2)C2=CC3=CC=CN=C3OC,0.0
23737,CO-ADD:0243998,7.86,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(=O)C(N)C,0.0
23738,CO-ADD:0230849,7.86,P(OCCCl)(OCCCl)(=O)C(c(cc1)ccc1N(C)C)C[N+](=O)[O-],0.0
23739,CO-ADD:0230095,7.86,C1(\N=C\c(cc2)ccc2N(C)C)=C(C)N(N(c3ccccc3)C1=O)C,0.0
23740,CO-ADD:0232493,7.86,c1(c2cc(Cl)cc(Cl)c2)oc(c3n1)ccc(c3)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br,0.0
23741,CO-ADD:0230534,7.86,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(Cc2ccccc2)C(O)=O)c1,0.0
23742,CO-ADD:0228033,7.86,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cccc4OC(=O)c(cc5)ccc5[N+](=O)[O-])c4,0.0
23743,CO-ADD:0232235,7.86,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(cccc4[N+](=O)[O-])c4O,0.0
23744,CO-ADD:0230761,7.86,[N+](=O)([O-])c1cccc(c1)NC(=O)c2ccc(cc2)OC(=S)N3CCCCC3,0.0
23745,CO-ADD:0232573,7.86,C(CCC1CCCC1)(=O)NC2CCCCCCC2,0.0
23746,CO-ADD:0232569,7.86,C(=O)(NCc(cccn1)c1)\C=C\c2ccccc2,0.0
23747,CO-ADD:0231921,7.85,C(=O)(c1ccc(cc1)Br)Oc2cc(ccc2OC(=O)c3ccc(cc3)Br)\C=N\NC(COc4cccc(Br)c4)=O,0.0
23748,CO-ADD:0223318,7.85,C1(c2ccc(cc2)OC(=O)c3ccc(cc3)F)(c4ccc(cc4)OC(=O)c5ccc(cc5)F)c6c(c(cccc7)c17)cccc6,0.0
23749,CO-ADD:0222936,7.85,C(O)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2N(CC)CC,0.0
23750,CO-ADD:0235724,7.85,c1(ccco1)C(NCCNC(=O)c2ccco2)=O,0.0
23751,CO-ADD:0235342,7.85,C12=C(CC(C)(C)CC1=O)C(Nc(ccc(cccc3)c34)c24)c(cc5)ccc5C(OC)=O,0.0
23752,CO-ADD:0222965,7.85,C(=O)(N\N=C\c1cccc(Br)c1)C(=O)Nc2ccccc2F,0.0
23753,CO-ADD:0235275,7.85,N1(C)C(=O)CC(N(CC2)CCN2C\C=C\c3ccccc3)C1=O,0.0
23754,CO-ADD:0232807,7.85,N1(C(c2ccc(cc2)F)CC(c(cccc3[N+](=O)[O-])c3)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N(CC6)CCO6)n4.Br,0.0
23755,CO-ADD:0232738,7.85,c(cc(s1)CC)(C(=O)N(N)C(=N2)CCC(O)=O)c12,0.0
23756,CO-ADD:0248369,7.85,ClC(N=C1)=CC=C1CN2C3=CC=CC=C3N=C2C4=CSC=N4,0.0
23757,CO-ADD:0248386,7.85,ClC1=C2C(N(CC3=CC=C(C(C)C)C=C3)C(C4=CSC=N4)=N2)=CC=C1,0.0
23758,CO-ADD:0228295,7.85,N1(C)C(=O)CC(N(CC2)CCN2c3ccccc3OC)C1=O,0.0
23759,CO-ADD:0228938,7.85,n1c2c(cccc2)ccc1c3ccc(c(C)c3)C,0.0
23760,CO-ADD:0228730,7.85,C(/c(cccn1)c12)(=N\c3c(C)cc(cc3C)C)\c(cc(C)cc4)c24,0.0
23761,CO-ADD:0230118,7.85,[N+](=O)([O-])c1cc(CC)ccc1OCC(=O)N\N=C\c2c(cccc2Cl)Cl,0.0
23762,CO-ADD:0228932,7.85,c(cc(C(OCC)=O)c(n1)C)(C2=O)c1c(c23)ccc(c3)[N+](=O)[O-],0.0
23763,CO-ADD:0230562,7.85,C(=O)(c1ccc(cc1)OCCCC)NCc(ccc(c23)OCO2)c3,0.0
23764,CO-ADD:0235153,7.85,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(COc3ccc(cc3C)C)=O,0.0
23765,CO-ADD:0232360,7.85,C1(N(c2ccc(cc2)Cl)CCN1c3ccc(cc3)Cl)c4c(OC)ccc(c4)[N+](=O)[O-],0.0
23766,CO-ADD:0235150,7.85,C(=O)(c1ccc(cc1)Cl)Oc2ccc(cc2OC)C=O,0.0
23767,CO-ADD:0235170,7.85,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(CNc3ccccc3C)=O,0.0
23768,CO-ADD:0223355,7.85,n(\N=C\c(cc1)ccc1F)(c2)cnn2,0.0
23769,CO-ADD:0222953,7.85,C(=C\c(cc1)ccc1OC)/C(=O)c2ccc(cc2)NC(C)=O,0.0
23770,CO-ADD:0232725,7.85,c(C(OCC)=O)(s1)c(NC(C)=O)c(c12)CCC(\C=N\C(C)(C)C)=C2Sc3ccccc3,0.0
23771,CO-ADD:0232055,7.84,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(=O)c(ccc(n3)CO)c3,0.0
23772,CO-ADD:0222901,7.84,c1(cc(Br)ccc1OC)\C=N\c(cc2)ccc2NC(C)=O,0.0
23773,CO-ADD:0235017,7.84,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c3ccccc3I,0.0
23774,CO-ADD:0232732,7.84,c(C(OC)=O)(cc1Cl)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
23775,CO-ADD:0235003,7.84,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c(ccc(c3Cl)Cl)c3,0.0
23776,CO-ADD:0248363,7.84,NC1=C(C(N2C3=CC=C(CC)C=C3)=NC4=C(C=CC=C4)C2=O)SC(NC5=CC=CC=C5)=N1,0.0
23777,CO-ADD:0230834,7.84,[N+](=O)([O-])\C(\C)=C\c(cc1)ccc1C,0.0
23778,CO-ADD:0228882,7.84,S(=O)(=O)(c1ccc(cc1)CCCl)Nc2cccc(C(=O)c(c3C4=O)cccc3)c24,0.0
23779,CO-ADD:0228747,7.84,c(c1)(C2=O)c(cc(C)c1[N+](=O)[O-])c(c23)ccc(c3)[N+](=O)[O-],0.0
23780,CO-ADD:0223379,7.84,c12c(c3c(cccc3)[nH]1)nnc(SC(C)C)n2,0.0
23781,CO-ADD:0230141,7.84,N(C(COc1ccc(cc1OC)\C=N\NC(COc2ccc(cc2Cl)Cl)=O)=O)c3ccc(cc3C)C,0.0
23782,CO-ADD:0230815,7.84,c1(ccccc1NC(=O)c2cccc(Br)c2)C(=O)N\N=C\c3ccc(C)o3,0.0
23783,CO-ADD:0222949,7.84,[n+]1(ccc(c(cccc2)c12)C)CC(=O)c3ccc(cc3)Br.[Br-],0.0
23784,CO-ADD:0232374,7.84,C1(Sc2ccc(\C=N\NC(=O)c3ccc(cc3)F)o2)=Nc(cccc4)c4C(=O)N1c5ccccc5,0.0
23785,CO-ADD:0235404,7.84,c1(C(O)=O)nc[nH]c1C(O)=O,0.0
23786,CO-ADD:0235223,7.84,C(C#N)(C1c(cccc2[N+](=O)[O-])c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
23787,CO-ADD:0235726,7.84,C(=O)(NNC(=O)Nc1ccccc1)c2ccccc2C(O)=O,0.0
23788,CO-ADD:0235147,7.84,C(=O)(Oc1ccc(cc1\C=N\NC(COc2c(C)cccc2C)=O)Br)c3ccccc3Cl,0.0
23789,CO-ADD:0235506,7.84,C(=N\c(ccc(c1I)C)c1)(/C2=O)\c3c(N2)ccc(C)c3Br,0.0
23790,CO-ADD:0235098,7.84,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)cc(c3OC(=O)c4ccccc4Cl)OCC,0.0
23791,CO-ADD:0232362,7.84,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3scc(c(cc4)ccc4[N+](=O)[O-])n3,0.0
23792,CO-ADD:0235692,7.84,c1(c2ccccc2F)nnc(N)o1,0.0
23793,CO-ADD:0228659,7.84,C1(CCC(CC1)C(C)(C)C)(N(Cc2ccccc2)C=O)C(=O)Nc3c(C)cccc3C,0.0
23794,CO-ADD:0228814,7.84,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3I,0.0
23795,CO-ADD:0228053,7.84,n1c2c(oc1c3cccc(c3)\N=C\c(cc(C)c(c4Br)C)c4O)cc(C)c(C)c2,0.0
23796,CO-ADD:0223604,7.84,C1(Nc2ccccc2[N+](=O)[O-])OC(C)C(C(O)C1O)O,0.0
23797,CO-ADD:0223069,7.84,C(=O)(C(NCCc1ccccc1F)=O)Nc2ccccc2CC,0.0
23798,CO-ADD:0229994,7.84,[C@@]1(C)(C(O)C2)C(CC[C@]1(O)C(=O)COC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(C23)C[C@@H](C(=CC(=O)C=C4)[C@@]34C)C,0.0
23799,CO-ADD:0230869,7.84,C(=C/c(cc1)ccc1OCC)(/c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c23)\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
23800,CO-ADD:0228484,7.84,N1(c2ccccc2)C(N(O)C(=O)Nc3ccccc3)C(N(CCC4=CCCCC4)C1=O)(C)C,0.0
23801,CO-ADD:0230077,7.84,[N+](=O)([O-])c1ccc(cc1)Sc2ccccc2,0.0
23802,CO-ADD:0230172,7.84,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2OCc3ccccc3,0.0
23803,CO-ADD:0235049,7.84,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(CNC(=O)c3cccc(F)c3)=O)Br,0.0
23804,CO-ADD:0223028,7.84,c1(ccc(\C=N/c(cc2)ccc2N(CC)CC)o1)Sc3cccc(cccn4)c34,0.0
23805,CO-ADD:0232089,7.84,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2ccccc2C)=O)c3ccccc3Cl,0.0
23806,CO-ADD:0231895,7.84,C(=O)(N\N=C\c(cccc1OC(=O)c2cccc(Br)c2)c1)C(O)(c3ccccc3)c4ccccc4,0.0
23807,CO-ADD:0232122,7.84,c1(\C=N\NC(CNC(=O)c2ccco2)=O)c3c(cccc3)cc(cccc4)c14,0.0
23808,CO-ADD:0235016,7.84,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
23809,CO-ADD:0232351,7.84,c(C#N)(c1c2ccccc2)c(\N=C\c(cc3)ccc3[N+](=O)[O-])oc1c4ccccc4,0.0
23810,CO-ADD:0235315,7.84,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(OC)=O,0.0
23811,CO-ADD:0223012,7.84,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OC)c3cc(C)ccc3C,0.0
23812,CO-ADD:0235072,7.83,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccccc3Br,0.0
23813,CO-ADD:0232792,7.83,N1(c2ccc(cc2)OC)C(=O)CN(CC1=O)Cc3ccccc3,0.0
23814,CO-ADD:0232727,7.83,c1(C(OCC)=O)sc(c(C)c1NC(c2ccccc2)=O)C,0.0
23815,CO-ADD:0223350,7.83,C1(C#N)=C(COC)C=C(NC1SSC2NC(C)=CC(COC)=C2C#N)C,0.0
23816,CO-ADD:0235709,7.83,N(\C(=C/c(cc1)ccc1OC)\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
23817,CO-ADD:0228516,7.83,C1(C#N)(C#N)C(c2cccc(Cl)c2)C(C3)C(C(C#N)=C1N)=CCN3C(OCC)=O,0.0
23818,CO-ADD:0230608,7.83,C(CSCc(cc1)ccc1Br)(=O)N\N=C\c(cc2)ccc2Cl,0.0
23819,CO-ADD:0228870,7.83,C(F)(C(F)(F)F)(C(=O)Nc(cc1)ccc1Cl)OC(F)(F)C(F)(F)C(F)(F)F,0.0
23820,CO-ADD:0223137,7.83,C(=N\NC(CNc1cccc(C)c1)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
23821,CO-ADD:0230221,7.83,C(=O)(N\N=C\c1ccccc1O)c2ccc(cc2)OCCCCCCCCCC,0.0
23822,CO-ADD:0230852,7.83,C(/N)(=N/[N+](=O)[O-])\N(N\C(\N)=N\[N+](=O)[O-])C(C(OCC)=O)C(c1ccccc1)=O,0.0
23823,CO-ADD:0228460,7.83,c1(C#N)c(N)nc(c2c1c(ccs3)c3)CCCCCC2,0.0
23824,CO-ADD:0223479,7.83,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc3cc(C)ccc3C,0.0
23825,CO-ADD:0223808,7.83,[N+](=O)([O-])c1ccccc1\C=C\C(=O)Nc2ccccc2OC,0.0
23826,CO-ADD:0230362,7.83,n1c(cccc1CSCC(=O)Nc2ccccc2)CSCC(=O)Nc3ccccc3,0.0
23827,CO-ADD:0235033,7.83,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(=O)\C=C\c4ccccc4,0.0
23828,CO-ADD:0223322,7.83,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C\NNC(=O)c3ccc(cc3)Cl,0.0
23829,CO-ADD:0235498,7.83,c1(c2ccc(cc2)\N=C\c3sccc3C)sc4c(ccc(C)c4)n1,0.0
23830,CO-ADD:0222865,7.83,C(=O)(c1ccc(cc1)Cl)Oc(cc2)ccc2OC,0.0
23831,CO-ADD:0230792,7.83,S(=O)(=O)(c1ccc(cc1)C)NC(Cc(cc2)ccc2OS(=O)(=O)c3ccc(cc3)C)C(=O)N\N=C/c4cccc(C)c4,0.0
23832,CO-ADD:0235544,7.83,c1(Nc2ccc(cc2OC)OC)nc(Cl)nc(NCCN(CC3)CCO3)n1,0.0
23833,CO-ADD:0232743,7.83,N1(c2cccc(C)c2)C(=O)C(CC1=O)S\C(\N)=N\c(cc3)ccc3Br,0.0
23834,CO-ADD:0235909,7.83,N1(c2ccccc2)C(NC(=O)Nc(ccc(c3Cl)Cl)c3)C(N(C)C1=O)(C)C,0.0
23835,CO-ADD:0223364,7.83,c1(SCC(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])[nH]c(c3n1)cccc3,0.0
23836,CO-ADD:0231951,7.83,C(CNc1cccc(C)c1)(=O)N\N=C\c(cc2)ccc2C,0.0
23837,CO-ADD:0235552,7.83,n1cn[nH]c1SCC(=O)Nc2c(Br)cc(cn2)Br,0.0
23838,CO-ADD:0235251,7.83,N(/c(cc1)ccc1Nc2ccccc2)=C\c(ccc(c3O)OC)c3,0.0
23839,CO-ADD:0228095,7.83,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(ccc(c34)OCO3)c4,0.0
23840,CO-ADD:0230209,7.83,C(=O)(N\N=C\c1ccccc1Br)c2ccc(cc2)OCCCCCCCCCC,0.0
23841,CO-ADD:0230579,7.83,N1(CNc(cc2)ccc2I)C(=O)\C(\SC1=O)=C/c3ccccc3O,0.0
23842,CO-ADD:0228112,7.83,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(ccc(c3Cl)OC)c3,0.0
23843,CO-ADD:0230076,7.83,C(F)(F)(F)c1cccc(c1)NC(=O)Nc2cccc(cccc3)c23,0.0
23844,CO-ADD:0223203,7.83,n1c(c2ccccc2)csc1\N=C\c(cc3)ccc3OC(=O)c4ccccc4OC,0.0
23845,CO-ADD:0228382,7.83,c1(c(Br)cc(c(cccn2)c12)Br)OC(=O)c3cccc(Cl)c3,0.0
23846,CO-ADD:0223645,7.83,c1(\C=N\NC(COc(cc2)ccc2CCCC)=O)c(cccc1Cl)Cl,0.0
23847,CO-ADD:0228349,7.83,C(/n(c1)ncn1)(\C(=O)c2ccc(cc2Cl)Cl)=C/c(c3c([nH]4)cccc3)c4,0.0
23848,CO-ADD:0230299,7.83,C1(C)(\C(\C2)=N/NC(N)=S)C(C)(C)C2CC1,0.0
23849,CO-ADD:0230245,7.83,C(=O)(c1ccccc1C)Nc(cc2)ccc2C(=O)N\N=C\c3ccccc3O,0.0
23850,CO-ADD:0228764,7.83,C1(C2C(C)=O)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC3=O)=C23,0.0
23851,CO-ADD:0235524,7.83,N1(C=C(C)C(NC1=O)=O)C2CC(C(CO)O2)OC(=O)c3ccc(cc3)C,0.0
23852,CO-ADD:0235493,7.83,c1(cc(OCO2)c2cc1[N+](=O)[O-])C3N(CCN3Cc4ccccc4)Cc5ccccc5,0.0
23853,CO-ADD:0230750,7.83,S(NCCC(=O)N\N=C(/C)\CC)(=O)(=O)c1ccc(cc1)Cl,0.0
23854,CO-ADD:0235331,7.83,n1(N)c(C)nnc1N\N=C\c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2O.Cl,0.0
23855,CO-ADD:0232226,7.83,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(COc3ccccc3C)=O,0.0
23856,CO-ADD:0223243,7.82,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2OC)cc(c2O)I,0.0
23857,CO-ADD:0235339,7.82,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)cc(c5OC(C)=O)OC,0.0
23858,CO-ADD:0231863,7.82,c1(ccccc1O)C(=O)N\N=C\c(ccc(c2OC(=O)c3ccc(cc3)Br)OC(=O)c4ccc(cc4)Br)c2,0.0
23859,CO-ADD:0231897,7.82,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(=O)c(cccn3)c3,0.0
23860,CO-ADD:0222859,7.82,c1(ccc(cc1Cl)Cl)C(=O)Nc(cc2)ccc2c3ccccc3,0.0
23861,CO-ADD:0248368,7.82,O=[N+](C(C=C1)=CC=C1CN2C3=CC=CC=C3N=C2C4=CSC=N4)[O-],0.0
23862,CO-ADD:0230519,7.82,C(CSCc1cccc(Cl)c1)(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3C,0.0
23863,CO-ADD:0228658,7.82,c(CC(C(O)=O)NC(C(N)CCC(O)=O)=O)(c1c([nH]2)cccc1)c2,0.0
23864,CO-ADD:0228638,7.82,n1(nnc(C)c1C(=O)N\N=C\c(cc2)ccc2OC)c3nonc3N,0.0
23865,CO-ADD:0228631,7.82,C(CN(CN1C2)CN23)(C3)(C1)\C(\c4ccc(cc4)C)=N/NC(=O)c5ccccc5O,0.0
23866,CO-ADD:0228264,7.82,S(=O)(=O)(N(CC1)CCO1)c2c(OC)ccc(c2)C(=O)Nc(cc3)ccc3I,0.0
23867,CO-ADD:0228236,7.82,N1(c2ccccc2)\C(=N/c3ccccc3)\S\C(=C\c(ccc4c(cc5)cc(c5C(O)=O)O)o4)\C1=O,0.0
23868,CO-ADD:0228853,7.82,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
23869,CO-ADD:0228695,7.82,n1(CC)c2c(c(cc(\C=N\O)cc3)c13)cccc2,0.0
23870,CO-ADD:0228268,7.82,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(NCc(cc2)ccc2OCCC)=S,0.0
23871,CO-ADD:0223813,7.82,[N+](=O)([O-])c1ccccc1\C=C/C(=O)Nc2ccccc2,0.0
23872,CO-ADD:0230002,7.82,c1(N(CC)N=Nc2nonc2OCC)nonc1OCC,0.0
23873,CO-ADD:0223523,7.82,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/NNc3cccc(Cl)c3,0.0
23874,CO-ADD:0230039,7.82,P(=O)(OC(C)C)(OC(C)C)C(Nc(cccc1C(F)(F)F)c1)c2c3c([nH]c2)cccc3,0.0
23875,CO-ADD:0223089,7.82,c1(ccc(c(cccc2)c12)F)C(=O)NCC(C)c3ccccc3,0.0
23876,CO-ADD:0228160,7.82,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
23877,CO-ADD:0230524,7.82,N(=C/c(ccc(c1OC)OC)c1)/NC(CCCc2ccc(cc2C)OC)=O,0.0
23878,CO-ADD:0230082,7.82,[N+](=O)([O-])c1ccc(cc1)OCC(=O)Nc2ccccn2,0.0
23879,CO-ADD:0228670,7.82,C(=S)(Oc(cc1)ccc1C(=O)Nc2cccc(C)c2)N(C)c3ccc(c(C)c3)C,0.0
23880,CO-ADD:0235798,7.82,c1(ccccc1OC)C(=O)N\N=C(/C)\CC(=O)NCc(cccn2)c2,0.0
23881,CO-ADD:0235672,7.82,S(=O)(=O)(NCC(O)=O)c1cccc(nsn2)c12,0.0
23882,CO-ADD:0223299,7.82,C(/C1)(=N\NC(N)=S)\c2c(c13)c(ccc2)ccc3,0.0
23883,CO-ADD:0232158,7.82,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\N\C(\c2ccccn2)=N\c3ccccc3)Br,0.0
23884,CO-ADD:0232589,7.82,[N+](=O)([O-])c(ccc(c1\C=N\n(cnn2)c2)N(CC(C)C)CC(C)C)c1,0.0
23885,CO-ADD:0235321,7.82,N(C(=O)\C(\S1)=C/c(cccc2[N+](=O)[O-])c2)=C1N(CC3)CCO3,0.0
23886,CO-ADD:0230406,7.82,C1(CCCC1)(CNCc(cc2)ccc2OC)c3ccccc3.Cl,0.0
23887,CO-ADD:0223499,7.82,c(c(C)nn1c2ccc(cc2)C)(\C=C(\C(C)=C(C#N)C(N3CCO)=O)/C3=O)c1O,0.0
23888,CO-ADD:0228646,7.82,n1(nnc(C)c1C(=O)N\N=C\c2ccc(cc2O)O)c3nonc3N,0.0
23889,CO-ADD:0230415,7.82,c(OC(C)=O)(c1c(n2C)cccc1)c2,0.0
23890,CO-ADD:0223066,7.82,C(=O)(N\N=C\c1c(cccc1F)Cl)C(=O)Nc2cccc(Cl)c2Cl,0.0
23891,CO-ADD:0230390,7.82,C(=O)(N\N=C\c(cc1)ccc1OCC)C(NCCOC)=O,0.0
23892,CO-ADD:0223760,7.82,c1(OC(=O)c2cc(F)c(cc2Cl)F)c(Cl)c(Cl)c(c(Cl)c1Cl)Cl,0.0
23893,CO-ADD:0228359,7.82,N1(c2ccc(cc2Br)Br)NC(=C(\C=N\Cc(cc3)ccc3F)C1=O)C,0.0
23894,CO-ADD:0230267,7.82,c1(cccc(cccc2)c12)OC(COc3ccc(cc3Cl)Cl)=O,0.0
23895,CO-ADD:0223189,7.82,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(COc(cc3)ccc3Cl)=O)o1,0.0
23896,CO-ADD:0223689,7.82,C(COc(cc1)ccc1OCc2ccccc2)(=O)N\N=C\c3cccc(Cl)c3,0.0
23897,CO-ADD:0223673,7.82,C(=O)(N\N=C\c1cccc(OC)c1OC)c2ccc(cc2)OCc3cccc(Br)c3,0.0
23898,CO-ADD:0228916,7.82,N1(c2ccc(cc2)N=Nc3ccccc3)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc(cccc5\C=C/C(c6ccccc6)=O)c5,0.0
23899,CO-ADD:0230605,7.82,N1(CCOc2ccccc2Cl)C(=O)c3c(cc(cc3)Oc(ccc(c4C5=O)C(N5CCOc6ccccc6Cl)=O)c4)C1=O,0.0
23900,CO-ADD:0231984,7.82,n1c2c(oc1c3ccc(cc3)\N=C\c4cc(Br)cc(OC)c4O)cccc2C,0.0
23901,CO-ADD:0223557,7.82,C1(C)(C)C(C1\C=C(/Cl)\Cl)C(=O)N\N=C\c(cc2)ccc2OCCCC,0.0
23902,CO-ADD:0230111,7.82,C(COc1ccccc1CC=C)(=O)N\N=C\c2ccccc2,0.0
23903,CO-ADD:0232202,7.82,c1(\C=N\c2c(Cl)ccc(Cl)c2)c(O)c(OC)cc(Br)c1Br,0.0
23904,CO-ADD:0235681,7.82,C(=C1)(\C(=N\c(ccc(c2N)Cl)c2)\Oc(ccc(cccc3)c34)c14)c5sc(c6n5)cccc6,0.0
23905,CO-ADD:0235958,7.81,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)O)c1,0.0
23906,CO-ADD:0235809,7.81,C(=O)(Nc1cccc(C)c1)c2ccccc2I,0.0
23907,CO-ADD:0235604,7.81,c(cc1O)(c2c(n1)cccc2)C(=O)OCC(c3ccccc3)=O,0.0
23908,CO-ADD:0235595,7.81,S(=O)(=O)(c(cccc1c2nnc(c3ccc(cc3)Br)o2)c1)N(CC4)CCO4,0.0
23909,CO-ADD:0235906,7.81,C(=O)(c1cccc(OC)c1)Nc(cc2)ccc2Oc(cc3)ccc3NC(=O)c4cccc(OC)c4,0.0
23910,CO-ADD:0230585,7.81,C(=O)(Nc(ccc(c1Cl)C)c1)c2ccc(c(cccc3)c23)F,0.0
23911,CO-ADD:0230364,7.81,N(C)(c1ccccc1)c2ccc(cc2)\C=N\NC(CCCc3ccccc3)=O,0.0
23912,CO-ADD:0230343,7.81,C(F)(F)(F)c(ccc(c1\N=C\c2cc(Cl)ccc2O)N3CCCCC3)c1,0.0
23913,CO-ADD:0228249,7.81,C(=C/c(ccc(c1[N+](=O)[O-])N(CC2)CCN2C)c1)(/C3=O)\C(=O)NC(=S)N3,0.0
23914,CO-ADD:0223744,7.81,s1c(\C=N\NC(COc(cc2)ccc2CCC)=O)ccc1Br,0.0
23915,CO-ADD:0228679,7.81,C(CC(C)(C)OC1)(C1=C2c3ccco3)=C(C#N)C(N2)=O,0.0
23916,CO-ADD:0223641,7.81,C(=O)(N\N=C\c1ccc(Br)s1)C(C)Oc(cc2)ccc2Br,0.0
23917,CO-ADD:0230318,7.81,C1(C(C)=O)=C(C)NC(NC1c2ccco2)=O,0.0
23918,CO-ADD:0230107,7.81,c1(\C=N\NC(COc(cc2)ccc2OCCCCCCCC)=O)cc(OC)ccc1OCc3cccc(Br)c3,0.0
23919,CO-ADD:0228874,7.81,N1(c2cccc(Cl)c2)C(c3ccc(cc3)Br)CC(c4ccc(cc4)Cl)=N1,0.0
23920,CO-ADD:0228782,7.81,[N+](=O)([O-])c1ccccc1c2ccccc2C(=O)OCC(=O)c3ccc(cc3)Br,0.0
23921,CO-ADD:0230408,7.81,C1(N(CC2)CCO2)=CC(OC13CCCCC3)=O,0.0
23922,CO-ADD:0228194,7.81,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Nc(cc3)ccc3C(=O)Oc4ccccc4,0.0
23923,CO-ADD:0228180,7.81,S1(=O)(=O)c2c(C(Nc(cccc3[N+](=O)[O-])c3)=N1)ccc(c2)[N+](=O)[O-],0.0
23924,CO-ADD:0228131,7.81,C(CNc1ccccc1OC)(=O)N\N=C\c2cccc(Br)c2,0.0
23925,CO-ADD:0223415,7.81,C(=N\NC(=O)c(cc1)ccc1N(C)C)(/C2=O)\c(cc(C)cc3C)c3N2,0.0
23926,CO-ADD:0228086,7.81,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(ccc(c3OCC)O)c3,0.0
23927,CO-ADD:0228289,7.81,C(c1cccc(Oc(cc2)ccc2[N+](=O)[O-])c1)(O3)=Nc(c4C3=O)ccc(C)c4,0.0
23928,CO-ADD:0232427,7.81,[N+](=O)([O-])c(ccc(c1\C=N\NC(C(C)SCc2ccccc2)=O)N(CC(C)C)CC(C)C)c1,0.0
23929,CO-ADD:0235839,7.81,C(=O)(c1ccc(cc1)Cl)Nc(ccc(c2C)Br)c2,0.0
23930,CO-ADD:0235818,7.81,C(=O)(c1ccc(cc1)Cc2ccccc2)OCC(=O)c3ccc(cc3)Br,0.0
23931,CO-ADD:0235803,7.81,[N+](=O)([O-])C(C)(CO1)COC1c2cccc(I)c2,0.0
23932,CO-ADD:0222983,7.81,N1(CNc(ccc(c2C)C)c2)C(=O)\C(\SC1=S)=C/c3cccc(Cl)c3Cl,0.0
23933,CO-ADD:0235102,7.81,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2Cl)=O)c3ccccc3I,0.0
23934,CO-ADD:0228619,7.81,N1(c2cccc(OC)c2)C(=O)CC(N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-])C1=O,0.0
23935,CO-ADD:0223176,7.81,c1(Nc2ccc(cc2OC)OC)c(c(C)nc(Nc3ccc(cc3OC)OC)n1)[N+](=O)[O-],0.0
23936,CO-ADD:0223660,7.81,c1(\C=N\NC(=O)c2ccc(cc2)Br)cc(Br)ccc1OCC,0.0
23937,CO-ADD:0228623,7.81,S(=O)(=O)(NC1CCCCC1)c2c(C)ccc(c2)C(=O)Nc3ccccc3C(O)=O,0.0
23938,CO-ADD:0223648,7.81,c1(\C=N\NC(COc2ccccc2CC=C)=O)cc(Br)ccc1OCC,0.0
23939,CO-ADD:0228472,7.8,N1(c(cc2Cl)cc(c2N)Br)C(=O)c(c(cc(c3C4=O)C(N4c(cc5Cl)cc(c5N)Br)=O)C1=O)c3,0.0
23940,CO-ADD:0235118,7.8,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])OC,0.0
23941,CO-ADD:0228139,7.8,N(=C(/C)\c1ccc(cc1)Br)/NC(CNc2ccc(cc2Br)Cl)=O,0.0
23942,CO-ADD:0230257,7.8,C(=O)(N\N=C\c(cc1)ccc1N(C)C)c2ccc(cc2)OCc(cc3)ccc3Cl,0.0
23943,CO-ADD:0230074,7.8,S(=O)(=O)(c1ccc(c2c1)cccc2)N(C(C)=O)c3ccc(cc3Br)C,0.0
23944,CO-ADD:0228325,7.8,S(=O)(=O)(c(cc1)ccc1C(=O)Oc2ccccc2CC=C)c(cc3)ccc3C(=O)Oc4ccccc4CC=C,0.0
23945,CO-ADD:0232191,7.8,C(CNc1cccc(C)c1)(=O)N\N=C\C=C\c2ccccc2,0.0
23946,CO-ADD:0232529,7.8,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3cccc(Br)c3)OC,0.0
23947,CO-ADD:0232524,7.8,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3cccc(OC)c3)OC,0.0
23948,CO-ADD:0232515,7.8,C(c1ccccc1)(=O)Oc2cc(ccc2OC(c3ccccc3)=O)\C=N\NC(=O)Cc4cccc(cccc5)c45,0.0
23949,CO-ADD:0232721,7.8,N(C(C)C(OC)=O)(c1c(C)cccc1C)C(=O)c2ccc(cc2)Cl,0.0
23950,CO-ADD:0223430,7.8,c1(nn(cn1)CC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)[N+](=O)[O-],0.0
23951,CO-ADD:0231860,7.8,c1(OCC(=O)N\N=C\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)c(OC)cc(cc1Br)Br,0.0
23952,CO-ADD:0231880,7.8,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2cccc(c2)\C=N\c3ccc4c(c(ccc5)CC4)c35)c1,0.0
23953,CO-ADD:0229943,7.8,C12=C(C=C(C)NC1=S)\C(\OC2=O)=C\c(cc3)ccc3OC,0.0
23954,CO-ADD:0231887,7.8,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C\c(cccc4OC(=O)c(c5)cc(cc5[N+](=O)[O-])[N+](=O)[O-])c4,0.0
23955,CO-ADD:0228788,7.8,Cc(c(C)c1)ccc1N2C(=O)\C(\C(C)=N2)=C/Nc(c(Cl)ccc3[N+](=O)[O-])c3,0.0
23956,CO-ADD:0235530,7.8,N(C)(C(=O)\C(=C/Nc(cc1)ccc1OCC)\C(N2C)=O)C2=O,0.0
23957,CO-ADD:0235099,7.8,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(cc2)ccc2Cl)=O)c3ccccc3Br,0.0
23958,CO-ADD:0222955,7.8,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c2cc(Br)ccc2OC)c1,0.0
23959,CO-ADD:0232695,7.8,C1(C(OCCCC)=O)=C(C)NC(NC1c2ccccc2OCC)=O,0.0
23960,CO-ADD:0235289,7.8,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNc2cccc(C)c2)=O)c3ccccc3Br,0.0
23961,CO-ADD:0222987,7.8,C(=O)(NC(CC(C)CC1(C)C)C1)c2ccccc2Br,0.0
23962,CO-ADD:0235202,7.8,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNC(=O)c2ccco2)=O)c3ccccc3Cl,0.0
23963,CO-ADD:0230393,7.8,C(c1ccccc1)(c2ccccc2)(c3c(cccc3)N=C4c(cc5)ccc5[N+](=O)[O-])O4,0.0
23964,CO-ADD:0228060,7.8,c1(c(cccn2)c2)oc(c3n1)ccc(c3)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
23965,CO-ADD:0232033,7.8,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
23966,CO-ADD:0228598,7.8,N1(\N=C\c2cc(OCO3)c3cc2[N+](=O)[O-])C(=O)c(c4C1=O)cccc4,0.0
23967,CO-ADD:0232026,7.8,c1(oc(c2n1)ccc(c2)\N=C\c(c(C)c3Cl)c(O)c(c3C)Br)c4cccc(Cl)c4Cl,0.0
23968,CO-ADD:0230697,7.8,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2C)(=S)Nc(cc3)ccc3Br,0.0
23969,CO-ADD:0223372,7.8,c1(\C=N\OC(c2ccccc2)=O)c(O)ccc(cccc3)c13,0.0
23970,CO-ADD:0235585,7.8,C(C(OCC)=O)(C1c2ccc(cc2)C)=C(N)OC(CCCC3=O)=C13,0.0
23971,CO-ADD:0232814,7.8,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(COc(ccc(c23)cccc2)c3)=O,0.0
23972,CO-ADD:0232302,7.8,c(C#N)(c1c(cc2)ccc2N(C)C)c(N)nc(OC)c1C#N,0.0
23973,CO-ADD:0223409,7.8,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)OCC(=O)c3ccc(cc3)Br,0.0
23974,CO-ADD:0222900,7.8,c1(cccc(cccc2)c12)NC(COc3ccccc3Br)=O,0.0
23975,CO-ADD:0230679,7.8,C(COc1ccc(cc1Br)C)(=O)N\N=C(/C)\CC(NCCC)=O,0.0
23976,CO-ADD:0228562,7.79,N1(c2ccc(cc2)OCC)C(=O)CC(N3CCC(CC3)C)C1=O,0.0
23977,CO-ADD:0229967,7.79,c1(NC(=O)c2cccc(F)c2)sc(c3c1C(OCC)=O)CCCC3,0.0
23978,CO-ADD:0228239,7.79,c(C#N)(c(\C(\C#N)=C\c1cccc(cccc2)c12)nn3c4ccccc4)c3N,0.0
23979,CO-ADD:0223765,7.79,N(/c(cc1)ccc1Br)=C\C=C\c(cc2)ccc2Cl,0.0
23980,CO-ADD:0223757,7.79,N(CC1)(CCO1)C(=O)COc(cc2)ccc2Cl,0.0
23981,CO-ADD:0235078,7.79,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(cc2)ccc2Cl)=O)c3ccccc3I,0.0
23982,CO-ADD:0223315,7.79,N1(c2c(O)ccc(Br)c2)C(=O)c3c(cccc3)C1=O,0.0
23983,CO-ADD:0232770,7.79,N1(c(cccc2C(F)(F)F)c2)C(=O)C(C(C34)C1=O)C(CC3=O)c(c45)cccc5,0.0
23984,CO-ADD:0232306,7.79,c1(C(OCC)=O)c2c(oc1c3ccccc3)ccc(O)c2CN(C)C.Cl,0.0
23985,CO-ADD:0232298,7.79,N(C(=O)c(cc1OC)cc(c1OC)OC)c2sccn2,0.0
23986,CO-ADD:0232030,7.79,c(\C=N\c(ccc(c12)OCCO1)c2)(c(C)c3Cl)c(O)c(c3C)Br,0.0
23987,CO-ADD:0223590,7.79,C12=C(c3c(cccc3)CC14CCCCC4)N=C(CCl)NC2=O,0.0
23988,CO-ADD:0230452,7.79,S(=O)(=O)(Nc(cc1)ccc1Oc(cc2)ccc2NS(=O)(=O)c3ccccc3[N+](=O)[O-])c4ccccc4[N+](=O)[O-],0.0
23989,CO-ADD:0228278,7.79,c1(Cl)c(Cl)ccc(c1)\N=C\c(ccc(c23)cccc2)c3,0.0
23990,CO-ADD:0228977,7.79,C(COc(cc1)ccc1C)(=O)N\N=C\c(cc2)ccc2I,0.0
23991,CO-ADD:0228921,7.79,c1(\N=C\c2ccc(cc2OCc3ccccc3)OCc4ccccc4)n(c5ccccc5)nc(C)c1c6cccc(Br)c6,0.0
23992,CO-ADD:0230032,7.79,C(=O)(C(NCCCN(CC1)CCO1)=O)Nc2ccc(cc2C)C,0.0
23993,CO-ADD:0232139,7.79,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
23994,CO-ADD:0232768,7.79,N1(c2cc(C)ccc2C)C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(/C)\C,0.0
23995,CO-ADD:0235811,7.79,N1(c2cccc(cccc3)c23)C(=O)c4c(cc(cc4)Oc5cccc(N)c5)C1=O,0.0
23996,CO-ADD:0232796,7.79,C(=C/c(cc1)ccc1F)(/NC(C)=O)\C(=O)NC(Cc2ccccc2)C(O)=O,0.0
23997,CO-ADD:0232776,7.79,n1c(c(ccc(c2F)OC)c2)csc1Nc(ccc(c3Cl)C)c3.Br,0.0
23998,CO-ADD:0228657,7.79,c1(NC(=O)c2ccccc2C(=O)Nc3sc(c(C)c3C#N)C)sc(c(C)c1C#N)C,0.0
23999,CO-ADD:0228336,7.79,N1(c2ccc(cc2)F)C(=O)CC(N(C)Cc3ccccc3)C1=O,0.0
24000,CO-ADD:0223697,7.79,c1(\C=N\NC(=O)C(C)Oc2cccc(cccc3)c23)c(cccc1Cl)Cl,0.0
24001,CO-ADD:0228411,7.79,N1(C(c2ccccc2)CC(c3ccccc3)=N1)c4scc(c5ccc(cc5)I)n4.Br,0.0
24002,CO-ADD:0223675,7.79,C(=O)(N\N=C\c1ccccc1Cl)C(C)Oc(cc2)ccc2OCCCCC,0.0
24003,CO-ADD:0228769,7.79,C(c1ccccc1)(=O)Nc(cc2)ccc2C(OCCCCC)=O,0.0
24004,CO-ADD:0230794,7.79,C(=O)(C\C(\C)=N\NC(COc1ccccc1C)=O)Nc2cccc(cccc3)c23,0.0
24005,CO-ADD:0230711,7.79,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c(ccc(c2OC)OCC=C)c2,0.0
24006,CO-ADD:0231899,7.79,C(=O)(Oc1cccc(c1)\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3)c4ccccc4Br,0.0
24007,CO-ADD:0230772,7.79,C(C1)(CC(C2)CC3CC12)(C3)NC(=O)C\C(\C)=N\NC(COc4ccc(cc4Br)C)=O,0.0
24008,CO-ADD:0230721,7.79,N(C(c1ccccc1)C(=O)N\N=C(\CC)/CC)C(c2ccccc2)=O,0.0
24009,CO-ADD:0223296,7.79,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)CC(C)=O,0.0
24010,CO-ADD:0232084,7.79,N(=C(/C)\c1ccc(c2c1)CCCC2)/NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O,0.0
24011,CO-ADD:0235901,7.79,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c2ccccc2Cl,0.0
24012,CO-ADD:0231989,7.79,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(ccc(c2OC)O)c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
24013,CO-ADD:0232617,7.79,C(=O)(Nc(cccn1)c1)c2cccs2,0.0
24014,CO-ADD:0235135,7.79,[N+](=O)([O-])c(cc1\C=N\NC(=O)Cc2cccc(cccc3)c23)cc(c1OC(c4ccccc4)=O)Br,0.0
24015,CO-ADD:0235482,7.79,N1(c2cccc(c2)c(csc3N4C(c5ccc(c(OC)c5)OC)CC(c6ccc(cc6)Cl)=N4)n3)C(=O)c(c7C1=O)cccc7.Br,0.0
24016,CO-ADD:0230305,7.79,C(=C\c(cc1)ccc1N(C)C)(/c2c3cccc2)\c4c3ccc(C(CCCCN5CCCCC5)=O)c4.Cl,0.0
24017,CO-ADD:0228157,7.79,C(CNc1ccc(cc1Br)Br)(=O)N\N=C(/C)\C=C\c2ccccc2,0.0
24018,CO-ADD:0228330,7.79,c1(C#N)c(N)nc(c2c1c3ccc(c(OC)c3)OC)CCCCC2,0.0
24019,CO-ADD:0230830,7.79,c1(OCCNC(=O)c(cc2)ccc2C(C)(C)C)cc(C)ccc1C(C)C,0.0
24020,CO-ADD:0223786,7.79,N(/OC(Cc1ccccc1)=O)=C(/N)\Cc2ccccc2,0.0
24021,CO-ADD:0230521,7.79,N(=C/c(ccc(c1OC)OC)c1)/NC(CCCc(ccc(c2C)OC)c2)=O,0.0
24022,CO-ADD:0235155,7.79,C(=O)(Oc1cccc(c1)\C=N\NC(CNc2cccc(C)c2)=O)c3cccc(Br)c3,0.0
24023,CO-ADD:0235407,7.79,n([C@@H]1[C@@H](c2ccccc2)CC(=CC1=O)c3cccs3)(nnc4[N+](=O)[O-])n4,0.0
24024,CO-ADD:0222931,7.79,c1(ccc(cc1Cl)Cl)C(=O)Oc(cc2)ccc2C(C)=O,0.0
24025,CO-ADD:0222940,7.79,c1(cc(Br)ccc1OC)\C=N\c(cc2)ccc2c3ccccc3,0.0
24026,CO-ADD:0230747,7.79,C(COc1ccc(cc1Br)C)(=O)N\N=C(/C)\CC(=O)NCc(cc2)ccc2Cl,0.0
24027,CO-ADD:0232570,7.79,C1(\N=C\c2cc(ccc2N3CCCCC3)[N+](=O)[O-])=C(C)N(N(c4ccccc4)C1=O)C,0.0
24028,CO-ADD:0235435,7.79,n1(\N=C\c2ccccc2O)c3c(c(cccc4)c14)cccc3,0.0
24029,CO-ADD:0235352,7.79,c1(nonc1N)N(CC(=O)Nc2c(C)cccc2C)N=Nc3nonc3N,0.0
24030,CO-ADD:0232511,7.79,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cc3)cc(c3OC(=O)c4cccc(F)c4)OC,0.0
24031,CO-ADD:0222941,7.78,[N+](=O)([O-])c(ccc(c1\C=N\c(cc2)ccc2c3ccccc3)OC)c1,0.0
24032,CO-ADD:0235762,7.78,C1(=S)NC(C)(C)C=C(\C=C\c2ccccc2)N1,0.0
24033,CO-ADD:0235373,7.78,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(CCN3Cc4ccccc4)c1C3,0.0
24034,CO-ADD:0283904,7.78,C(=O)(Nc(cc1)ccc1OCCCCC)C(NCCC2=CCCCC2)=O,0.0
24035,CO-ADD:0283944,7.78,n1(C)cnnc1SCC(=O)Nc(ccc(c2s3)nc3SCc4ccccc4)c2,0.0
24036,CO-ADD:0284857,7.78,N1(C(=O)c2ccc(cc2)OC)N=C(CC1(O)c3ccc(cc3)CC)C,0.0
24037,CO-ADD:0283921,7.78,N1(c(cc2)ccc2C(C)CC)C(c3ccc(cc3)F)Nc(c4C1=O)cccc4,0.0
24038,CO-ADD:0278552,7.78,n1(nc(s2)SCc3cccc(Br)c3)c2nnc1SCc4cccc(Br)c4,0.0
24039,CO-ADD:0278576,7.78,N1(c(ccc(c2s3)nc3SCC(=O)Nc4ccccc4OC)c2)C(=O)c(c5C1=O)cccc5,0.0
24040,CO-ADD:0283574,7.78,n1(c2ccc(c(C)c2)C)c(c3ccccc3)nnc1c4ccccc4,0.0
24041,CO-ADD:0284850,7.78,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4cc(Br)ccc4OCc5ccccc5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
24042,CO-ADD:0284874,7.78,S(=O)(=O)(Nc(cccn1)c1)c2csc(C(=O)Nc3ccccc3)c2,0.0
24043,CO-ADD:0284619,7.78,c1(c(Cl)c2c(cccc2)s1)C(=O)n3c(C)cc(C)n3,0.0
24044,CO-ADD:0284558,7.78,c1(C(O)c2ccc(cc2)OC)n(C(C)C)c3c(cccc3)n1,0.0
24045,CO-ADD:0284398,7.78,C1(C#N)(C#N)C(C2C(C(C#N)=C1N)=CCCC2)c3ccc(CCCC)s3,0.0
24046,CO-ADD:0284035,7.78,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c4ccccc4C(F)(F)F)\C1=O,0.0
24047,CO-ADD:0284064,7.78,C1(c2ccc(cc2)CC)(c3ccc(cc3)CC)CC1C(=O)Nc(cc4)ccc4F,0.0
24048,CO-ADD:0278480,7.78,c1(C2c3ccccc3OC)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
24049,CO-ADD:0283523,7.78,C12(C(C)NCc(cc3)ccc3OCc4c(cccc4Cl)Cl)CC(CC5C1)CC(C5)C2,0.0
24050,CO-ADD:0279133,7.78,N1\C(=N\N=C\c2ccc(cc2Cl)Cl)\S\C(=C\c3ccc(cc3Cl)Cl)\C1=O,0.0
24051,CO-ADD:0279201,7.78,C1(=O)Oc2c(C3=C1CCC3)ccc(OC(CC)=O)c2,0.0
24052,CO-ADD:0249469,7.78,N(Cc1ccccc1)(C(CCl)=O)c2c(C)cccc2C,0.0
24053,CO-ADD:0252847,7.78,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccccc5C(F)(F)F,0.0
24054,CO-ADD:0255142,7.78,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c2ccccc2C(F)(F)F)c3cc(C)cc(C)c3,0.0
24055,CO-ADD:0255018,7.78,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3I)\N2CC=C,0.0
24056,CO-ADD:0247450,7.78,c(c(ccc1[N+](=O)[O-])COC(=O)CCC(N)C(=O)Oc(cc2)ccc2[N+](=O)[O-])c1.Cl,0.0
24057,CO-ADD:0248977,7.78,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4cccs4.[Na+],0.0
24058,CO-ADD:0256005,7.78,C(=N\c1ccccc1)(/SC=C2c3ccc(cc3)Cl)\N2CC.Br,0.0
24059,CO-ADD:0253211,7.78,c1(SCCC(=O)NC2CCCCC2)nccn1Cc3ccccc3,0.0
24060,CO-ADD:0256852,7.78,c1(Nc2ccccc2OC)sc(c(c3ccccc3)n1)CCC,0.0
24061,CO-ADD:0256412,7.78,n1(c(C)ccc1C)c2cccc(c2)C(=O)N\N=C\c(cc3)cc(c3N(C)C)Br,0.0
24062,CO-ADD:0256878,7.78,n1(\N=C\c(cc(I)cc2I)c2OCC#C)nnnc1N,0.0
24063,CO-ADD:0255434,7.78,c1(cc(C)cc(C)c1NC(=O)c2c(Cl)ccc(c2)[N+](=O)[O-])[N+](=O)[O-],0.0
24064,CO-ADD:0250204,7.78,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
24065,CO-ADD:0249950,7.78,C(OC(N)=C(C1c2ccccc2OC)C#N)(NC(=O)NC3=O)=C13,0.0
24066,CO-ADD:0255355,7.78,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(OC)nc2Nc(cc3)ccc3OC)n2,0.0
24067,CO-ADD:0250331,7.77,N1(c2ccc(c(C)c2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4S(=O)(=O)c5ccc(cc5)NC(=O)c(ccc(c6C7=O)C(N7c8ccc(c(C)c8)C)=O)c6,0.0
24068,CO-ADD:0250635,7.77,n1(c2ccccc2)nnnc1SCC(=O)c3ccc(cc3)CC,0.0
24069,CO-ADD:0250345,7.77,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)Nc2cccc(Br)c2,0.0
24070,CO-ADD:0254603,7.77,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c5ccccc5)n4.Br,0.0
24071,CO-ADD:0254823,7.77,C1(C#N)(C#N)[C@@H](c(cc2)ccc2C(F)(F)F)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C56CC7CC(CC(C7)C5)C6,0.0
24072,CO-ADD:0247337,7.77,C(=C\c(cc1)cc(c1OC(=O)c2cc(F)c(cc2Cl)F)OC)(/C(=O)c3c4cccc3)\C4=O,0.0
24073,CO-ADD:0247842,7.77,N1(c2ccc(cc2)OC)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccc(cc4C(O)=O)C,0.0
24074,CO-ADD:0247775,7.77,C(/C#N)(\C(OCC)=O)=N\Nc(c1)cc(cc1C(OC)=O)C(OC)=O,0.0
24075,CO-ADD:0248145,7.77,c12c(nnc(SCC(=O)Nc(ncc3[N+](=O)[O-])s3)n1)c4c(cccc4)n2CC=C,0.0
24076,CO-ADD:0278178,7.77,C(=C\c(cc1)cc(c1OC(CC)=O)OC)(/C(C)=NN2c3cccc(Br)c3)\C2=O,0.0
24077,CO-ADD:0284747,7.77,c1(nc(c2ccc(cc2)Br)cc3C(F)(F)F)n3ncc1C(O)=O,0.0
24078,CO-ADD:0284879,7.77,N1(C(C)=O)\C(=C/C(OCC)=O)\Nc(cccc2)c2C1(c3ccccc3)c4ccccc4,0.0
24079,CO-ADD:0284911,7.77,C(C(OCC)=O)(C1c2ccc(cc2)C)=C(Nc3ccccc3)CC(C)(O)C1C(OCC)=O,0.0
24080,CO-ADD:0284703,7.77,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(Br)c4,0.0
24081,CO-ADD:0283122,7.77,c1(C(=O)C2CC2)oc(c3c1N)ccc(Br)c3,0.0
24082,CO-ADD:0283066,7.77,C(C(OCC)=O)(=C1C)\C(=C\c2cccc(Cl)c2)\C(N1c3ccccc3)=O,0.0
24083,CO-ADD:0283748,7.77,[n+]1(CC)c2c(n(CC)c1C)ccc(c2)S(=O)(=O)Nc3ccccc3.[I-],0.0
24084,CO-ADD:0283728,7.77,C(CCl)(NCCc1ccccc1)=O,0.0
24085,CO-ADD:0283410,7.77,c1(nonc1N)\C(=N/OC)\N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])C(F)(F)F,0.0
24086,CO-ADD:0279050,7.77,n1c(c2ccc(cc2)F)csc1\C(\C#N)=N\Nc3ccccc3,0.0
24087,CO-ADD:0279001,7.77,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c(c4c([nH]5)cccc4)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
24088,CO-ADD:0278546,7.77,c1(NC(CSc2nnc(SCC(=O)Nc3sc(c4c3C(OCC)=O)CCCC4)s2)=O)sc(c5c1C(OCC)=O)CCCC5,0.0
24089,CO-ADD:0278781,7.77,c1(cn(nc1c2ccccc2)Cc(ccc(c3Cl)Cl)c3)C4Nc(ccc(c56)cccc5)c6C(CC(C)(C)CC7=O)=C47,0.0
24090,CO-ADD:0278605,7.77,S(=O)(=O)(N(CC)CC)c(cc1)ccc1C2=CS\C(=N/c(cccc3C(F)(F)F)c3)\N2CCc(ccc(c4OC)OC)c4.Br,0.0
24091,CO-ADD:0278629,7.77,c1(SCC)sc2c(ccc(c2)NC(CSCC(=O)Nc3c(C)cccc3C)=O)n1,0.0
24092,CO-ADD:0278175,7.77,C1(=O)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C/c(cc4)ccc4C,0.0
24093,CO-ADD:0247695,7.77,c1(c2F)c(C=Nc(cccc3)c3O1)c(c(F)c2N4CCCCC4)F,0.0
24094,CO-ADD:0249378,7.77,S(=O)(=O)(N1CCCC(C)C1)c2c(Cl)ccc(Cl)c2,0.0
24095,CO-ADD:0247730,7.77,C(=N\Nc(cc1)ccc1Cl)(/C(=O)NNC(=S)Nc(cc2)ccc2C)\S(c3ccccc3)(=O)=O,0.0
24096,CO-ADD:0249355,7.77,n(\N=C\c1cccc(Cl)c1Cl)(cnn2)c2,0.0
24097,CO-ADD:0254595,7.77,S(=O)(=O)(c1ccc(cc1)Br)N(c2ccc(cc2)OCC)CC(=O)N\N=C(/CCCCCC3)\C3,0.0
24098,CO-ADD:0254321,7.77,C1(C(=O)Nc(ccc(c2Cl)Cl)c2)C(C1(Cl)Cl)c3ccccc3,0.0
24099,CO-ADD:0250601,7.77,N(\C(=C\c1ccccc1OCCCCCC)\C(O2)=O)=C2c3ccc(cc3)Cl,0.0
24100,CO-ADD:0250314,7.76,N(=C(/C)\c(cccn1)c1)/OC(=O)c2cccc(C)c2,0.0
24101,CO-ADD:0256968,7.76,c1(sc(c(ccc2S(C)(=O)=O)n1)c2)NC(=O)c3cccc(C)c3,0.0
24102,CO-ADD:0256446,7.76,[N+](=O)([O-])c(cc1)ccc1C(=O)NNC(=O)c2ccccc2Br,0.0
24103,CO-ADD:0256520,7.76,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n1,0.0
24104,CO-ADD:0257099,7.76,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
24105,CO-ADD:0254762,7.76,C(=N\Nc1nncc(c2ccccc2)n1)(/c(cc(Br)cc3)c3N4C)\C4=O.[Na+],0.0
24106,CO-ADD:0249544,7.76,N(c(ccc(c1C(O)=O)Cl)c1)(C(=O)C(C23)C(C=C4)OC24C)C3=O,0.0
24107,CO-ADD:0249174,7.76,C(=O)(C(c1ccccc1)c2ccccc2)NNC(=O)\C=C\c3ccccc3,0.0
24108,CO-ADD:0249538,7.76,S(=O)(=O)(N(CC)CC)c(cccc1c2nnc(c(cccc3[N+](=O)[O-])c3)o2)c1,0.0
24109,CO-ADD:0249659,7.76,C1(C2c3ccc(cc3)SC)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
24110,CO-ADD:0255167,7.76,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)\N=C\c(cc(I)cc4I)c4O)n1,0.0
24111,CO-ADD:0254625,7.76,N1(c2ccc(c(C)c2)C)C(=O)\C(\SC1=S)=C\c(cc3)ccc3OC,0.0
24112,CO-ADD:0248089,7.76,c12c(nnc(SCC(=O)Nc3c(C)ccc(c3)NC(CSc(nnc(c45)c6c(cccc6)n4C)n5)=O)n1)c7c(cccc7)n2C,0.0
24113,CO-ADD:0249406,7.76,C(=C/c(c(cccc1)c1n2Cc(cc3)ccc3Cl)c2)(/C(=O)NC(N4)=O)\C4=O,0.0
24114,CO-ADD:0255060,7.76,N1(C2c3ccccc3)C(S\C(=C\c4cc(Br)ccc4OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
24115,CO-ADD:0247931,7.76,c1(nc(c2n1CC(=O)N\N=C\c(c(cccc3)c3n4Cc5ccc(cc5Cl)Cl)c4)cccc2)c6nonc6N,0.0
24116,CO-ADD:0277764,7.76,n1(CC(c2ccccc2)=O)c(c3ccccc3)nnc1c4ccccc4,0.0
24117,CO-ADD:0278149,7.76,N(=C1SCC(=O)Nc2ncccn2)C(=O)C(C(=O)N1)Cc3ccccc3,0.0
24118,CO-ADD:0277893,7.76,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)NC(C)(C)C)c1Br,0.0
24119,CO-ADD:0278022,7.76,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
24120,CO-ADD:0277710,7.76,c1(sc(cc1C(OCC)=O)CC)NC(=O)c2ccc(cc2NS(c3ccccc3)(=O)=O)Cl,0.0
24121,CO-ADD:0277521,7.76,S(=O)(=O)(N(CC(C)C)CC(C)C)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c2ccccc2N(CCCC3C(=O)N(CC)CC)C3,0.0
24122,CO-ADD:0283762,7.76,c12n(ncn1N)c(nn2)SCC(=O)Nc3nnc(SCC(=O)Nc(cc4)ccc4C(C)=O)s3,0.0
24123,CO-ADD:0283778,7.76,N(CCN1C(CC)=O)(C1c2ccccc2)S(=O)(=O)c3ccc(cc3)C,0.0
24124,CO-ADD:0278682,7.76,n1(CN(CC2)CCO2)cnc3c1ncnc3SC,0.0
24125,CO-ADD:0283694,7.76,C(=O)(CC(C)(C)CC1=O)C1Br,0.0
24126,CO-ADD:0278548,7.76,N(C(=O)c1ccc(cc1)Cl)(C(=O)c2ccc(cc2)Cl)n(cnn3)c3,0.0
24127,CO-ADD:0278309,7.76,C1(=NC(=O)NC2=O)C2=Cc(cccc3)c3N1c4ccccc4OC,0.0
24128,CO-ADD:0277509,7.76,C(=C/c(cc1)ccc1OC(=O)c2ccc(cc2)OC)(/C3=O)\C(c4ccc(cc4)Cl)=NO3,0.0
24129,CO-ADD:0278312,7.76,C1(=NC(=O)NC2=O)C2=Cc(cccc3)c3N1c4ccc(cc4)F,0.0
24130,CO-ADD:0278744,7.75,N(c1ccc(cc1)C)(C(c2ccc(cc2)OCCCC)C=C3Nc(cc4)ccc4C)C3=O,0.0
24131,CO-ADD:0277671,7.75,s1c(nnc1c2ccco2)NC(=O)c3ccccc3Cl,0.0
24132,CO-ADD:0278276,7.75,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)NC(=O)c6ccc(cc6)OCCCC)n1,0.0
24133,CO-ADD:0252553,7.75,C(\C(\CC1)=C\c2ccccc2)(O3)=C1C(C(C#N)=C3N)c4ccccc4,0.0
24134,CO-ADD:0254722,7.75,N(C(=O)CS1)(C2c(cc3)ccc3N(C)C)C1=NC(C)=C2C(OCC)=O,0.0
24135,CO-ADD:0254709,7.75,N1(CC(C)O)\C(=N\c2ccccc2)\SC(CC(=O)Nc(cc3)ccc3Cl)C1=O,0.0
24136,CO-ADD:0249502,7.75,C(=O)(N\N=C\c1cc(OC)ccc1OCc2cccc(Br)c2)C(O)c3ccccc3,0.0
24137,CO-ADD:0249600,7.75,N1(c2ccc(cc2)CC)C(c3ccc(cc3)OCC)Nc(c4C1=O)cccc4,0.0
24138,CO-ADD:0254307,7.75,c(CC(NC(OCc1ccccc1)=O)C(=O)Nc2cc(C)ccc2C)(c3c([nH]4)cccc3)c4,0.0
24139,CO-ADD:0253615,7.75,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc4c5ccc(cc5Cl)[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
24140,CO-ADD:0250468,7.75,N1(C(=O)c2ccc(cc2)Cl)N=C(CC1(O)C(OC)=O)C(C)C,0.0
24141,CO-ADD:0253901,7.75,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc4c(OC)ccc(OC)c4,0.0
24142,CO-ADD:0250005,7.75,n1(C(=O)\C=C\c2ccccc2)c3c(cc1c4ccccc4)cccc3,0.0
24143,CO-ADD:0255922,7.75,C1(=C(C)NC(NC1c2ccccc2OCCC)=O)C(=O)OC(C)C(C)(C)C,0.0
24144,CO-ADD:0250327,7.75,o(c1c2ccccc2)c(c(cc3)ccc3C(=O)N(C(C)C)C(C)C)nn1,0.0
24145,CO-ADD:0249624,7.75,c1(ccco1)\C=N\c(cc2)ccc2I,0.0
24146,CO-ADD:0254646,7.75,n1(c2ccccc2)c(c3cccc(OC)c3)nnc1Sc4ccc(cc4[N+](=O)[O-])C(C)=O,0.0
24147,CO-ADD:0249183,7.75,c1(SCC(=O)c2ccc(cc2)OC)sc3c(ccc(OCC)c3)n1,0.0
24148,CO-ADD:0249169,7.75,C(C#N)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cccc4C(F)(F)F)c4,0.0
24149,CO-ADD:0252852,7.75,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)Nc(ccc(c4[N+](=O)[O-])F)c4)cccc3,0.0
24150,CO-ADD:0247455,7.75,c12n(CCN=C1c3ccc(c(Cl)c3)Cl)ccc2.C(O)(=O)\C=C\C(O)=O,0.0
24151,CO-ADD:0249629,7.75,o(c(c1cccc(Oc(cc2)ccc2[N+](=O)[O-])c1)nn3)c3c(cccc4[N+](=O)[O-])c4,0.0
24152,CO-ADD:0252577,7.75,C12(c3ccccc3)C(C1\C=N/NC(c4ccccc4)=O)(c5ccccc5)C(C=C6)CC26,0.0
24153,CO-ADD:0254513,7.75,c1(N(CC2)CCN2C)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
24154,CO-ADD:0249342,7.75,c(c1c(s2)CCC1)(C3=O)c2N=C(SCC(=O)Nc4ccccc4)N3c5ccccc5,0.0
24155,CO-ADD:0247540,7.75,c1(cccc(F)c1F)C(OCCN(CC2)CCN2CCOC(=O)c3cccc(F)c3F)=O.Cl.Cl,0.0
24156,CO-ADD:0249589,7.75,N1(C2c3ccccc3)C(S\C(=C\c(cccn4)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
24157,CO-ADD:0277988,7.75,c1(NC(CCC)=O)nnc(COc(cc2)ccc2C(C)(C)C)s1,0.0
24158,CO-ADD:0278078,7.75,C(/NC1)(=N/[N+](=O)[O-])\N(C(CC2)CCN2Cc3ccccc3)CN1c4ccc(cc4)Cl,0.0
24159,CO-ADD:0278110,7.75,C(N)(N\N=C\c1ccco1)=N,0.0
24160,CO-ADD:0278118,7.75,C(C(OCC)=O)(C1c2ccc(cc2)OC)=C(Nc3ccccc3)CC(C)(O)C1C(OCC)=O,0.0
24161,CO-ADD:0260163,7.75,[N+](=O)([O-])c1cc(ccc1OC)CSc2n[nH]cn2,0.0
24162,CO-ADD:0260187,7.75,N1(\N=C(/C)\c2ccc(cc2)Cl)C(=O)CN(Cc3ccccc3)C1c4ccc(c(OC)c4)OCC=C,0.0
24163,CO-ADD:0278741,7.75,S1(=O)(=O)c(cccc2)c2C(NCC(C)(C)CNC(=O)c3cccc(C)c3)=N1,0.0
24164,CO-ADD:0278166,7.75,c1(C2c3ccc(cc3)Cl)c(CCN2C(=O)c4cc5c(ccc(Br)c5)o4)c6c(cccc6)[nH]1,0.0
24165,CO-ADD:0283408,7.75,N1(CNc2ccccc2Cl)C(=S)OC(c3ccccc3Cl)=N1,0.0
24166,CO-ADD:0278751,7.74,C(=C\c(ccc1c(cc2)ccc2C(OCC)=O)o1)(/C(=O)NC(N3CC=C)=O)\C3=O,0.0
24167,CO-ADD:0283201,7.74,N1(C(CCC)=O)c2c([C@]([H])(CN(C)CC3)[C@@]13[H])cc(C)cc2.Cl,0.0
24168,CO-ADD:0255642,7.74,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
24169,CO-ADD:0253709,7.74,S(=O)(=O)(c(cccc1C(=O)N2CCCCC2)c1)N3CCCCC3,0.0
24170,CO-ADD:0252323,7.74,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c5ccc(o5)C#Cc6ccccc6)O1,0.0
24171,CO-ADD:0252446,7.74,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)N\N=C(/C)\C(C)(C)C)c2cc(C)cc(C)c2,0.0
24172,CO-ADD:0253018,7.74,C(=N\c1ccccc1)(/SC=C2c3ccc(c(F)c3)OC)\N2CC.Br,0.0
24173,CO-ADD:0252896,7.74,C(=O)(NC1CCCC1)C(=O)NCc2ccco2,0.0
24174,CO-ADD:0256559,7.74,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cccn3)c3)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
24175,CO-ADD:0253648,7.74,C(COCCOCCOCC1=O)(=O)NCCN1,0.0
24176,CO-ADD:0255952,7.74,S(=O)(=O)(c(cccc1C(O)=O)c1)Nc(cc2)ccc2Cl,0.0
24177,CO-ADD:0255692,7.74,S(=O)(=O)(N(C)C)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c2ccccc2,0.0
24178,CO-ADD:0255445,7.74,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)F)=C(O)C(N2CCCO)=O,0.0
24179,CO-ADD:0253896,7.74,N(\C(=C/c(cc1)ccc1OC(=O)c2ccc(cc2)C)\C(O3)=O)=C3c4ccc(cc4)C,0.0
24180,CO-ADD:0252802,7.74,N(C(=O)\C(\S1)=C\c(cc2)ccc2C(C)C)=C1N3CCCCC3,0.0
24181,CO-ADD:0254424,7.74,c1(c(ccc(c1)[N+](=O)[O-])Sc2ccc(SC(C)(C)C)s2)[N+](=O)[O-],0.0
24182,CO-ADD:0248925,7.74,N1(c2ccccc2[N+](=O)[O-])C(=O)C(C(C1=O)C34\C=N\c5cccc(Cl)c5Cl)C(c(c36)cccc6)c(c47)cccc7,0.0
24183,CO-ADD:0247470,7.74,C(=O)(OCc1ccccc1OC)N\N=C\c(cc2)ccc2OCC,0.0
24184,CO-ADD:0249369,7.74,C(=O)(N\N=C(/C)\CC(=O)Nc1ccc(cc1C)Cl)c2ccco2,0.0
24185,CO-ADD:0247472,7.74,C(c(cc1)ccn1)(=O)N\N=C\c(cc2)ccc2C(O)=O,0.0
24186,CO-ADD:0249605,7.74,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)C(=O)NC2CC2,0.0
24187,CO-ADD:0254776,7.74,n1c(c2ccc(cc2)C)cc(\N=C\c(cc3)ccc3OCc(cc4)ccc4C)n1c5ccccc5,0.0
24188,CO-ADD:0252786,7.74,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cc5c(cc4Cl)OCO5,0.0
24189,CO-ADD:0253039,7.74,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccccc5)SC(=NN2c6cccc(Cl)c6)C(C)=O,0.0
24190,CO-ADD:0247854,7.74,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)\N=C\c4cc(I)ccc4O)n1,0.0
24191,CO-ADD:0254318,7.74,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
24192,CO-ADD:0258604,7.74,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)NCc(cc3)ccc3S(N)(=O)=O,0.0
24193,CO-ADD:0284884,7.74,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)S\C(\NC)=N\c3c(Cl)ccc(Cl)c3,0.0
24194,CO-ADD:0284796,7.74,c1(\N=C/c2cc(OC)c(cc2[N+](=O)[O-])OC)sc(c3c1C(=O)NCc4ccccc4)CCCC3,0.0
24195,CO-ADD:0259104,7.74,C12(CC(CC(C3)C1)CC3C2)C(=O)NNC(=O)c4ccc(c(O)c4)O,0.0
24196,CO-ADD:0259580,7.74,C(C1=O)(C23Br)C(C(N1c4ccc(c5c4)OCO5)=O)C(c6c2cccc6)(c(cccc7)c37)Br,0.0
24197,CO-ADD:0259620,7.74,N1(C)C(=O)\C(\SC1=S)=C\c2c[nH]c(ccc(Br)c3)c23,0.0
24198,CO-ADD:0259407,7.74,c1(N(CC2)CCO2)nc(N\N=C\c3cc(Br)ccc3O)nc(Nc(cc4)ccc4F)n1.Cl,0.0
24199,CO-ADD:0259935,7.74,C1(=S)N(c2cccc(c2)C(O)=O)C3(\C(=N\c4ccccc4)\N1)CCCCC3,0.0
24200,CO-ADD:0259951,7.74,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)F)c4sc(c5c4C(OC)=O)CCCCC5,0.0
24201,CO-ADD:0259825,7.74,C1(C(OCCCCCCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCc3ccccc3)=O,0.0
24202,CO-ADD:0256703,7.74,n1c(c(cc2)ccc2C(O)=O)[nH]c(c3ccccc3)c1c(cc4)ccc4C(c5ccccc5)=O,0.0
24203,CO-ADD:0256082,7.74,c1(N(C)C)nc(N\N=C\c(cc(I)cc2I)c2OC)nc(NCc3ccccc3)n1.Cl,0.0
24204,CO-ADD:0253621,7.74,c1(NC(c2ccccc2)=O)sc(c3c1CNCCN(CC)CC)CCCC3,0.0
24205,CO-ADD:0253887,7.74,S1(=O)(=O)c(cccc2)c2C(Nc(ccc(c3CN(CC)CC)OC(c4ccccc4)=O)c3)=N1.Cl,0.0
24206,CO-ADD:0255804,7.74,C(=O)(OC(C)(C)C)N1CCCC1C(=O)Nc2c(C)cc(cc2C)I,0.0
24207,CO-ADD:0250491,7.74,N1(CC)C(=O)\C(\SC1=S)=C/c2cccc(OC)c2OC,0.0
24208,CO-ADD:0252901,7.74,C(c1cc(OC)cc(OC)c1)(OC2=O)=Nc(c23)ccc(c(ccc4c5C(=O)OC(c6cc(OC)cc(OC)c6)=N4)c5)c3,0.0
24209,CO-ADD:0252716,7.73,C(CCCCCCCCC=C)(NCCCOC)=O,0.0
24210,CO-ADD:0248130,7.73,c12c(nnc(SCc3ccccc3)n1)c4c(cccc4)n2CCC,0.0
24211,CO-ADD:0254416,7.73,c1(N)nonc1OCCOCCOCCOc2nonc2N,0.0
24212,CO-ADD:0247872,7.73,N(C(=O)\C(\S1)=C/c2ccccc2O)=C1N3CCCCCC3,0.0
24213,CO-ADD:0253053,7.73,C1(C(OCCSCC)=O)=C(C)Nc(c2S1)cccc2,0.0
24214,CO-ADD:0252431,7.73,S(=O)(=O)(c1ccc(cc1)\N=C\c2ccc(cc2OC)OC)Nc3ccccn3,0.0
24215,CO-ADD:0252434,7.73,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)N\N=C\c2cccs2)c3cc(C)cc(C)c3,0.0
24216,CO-ADD:0253825,7.73,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3C(O)=O)=N1,0.0
24217,CO-ADD:0255899,7.73,n12c(NC(COC)=CC1=O)cc(c(cc3)ccc3C(C)(C)C)n2,0.0
24218,CO-ADD:0256662,7.73,C1(C(=O)OC(C)CC)=C(C)NC(NC1c2ccccc2OCc3ccccc3)=O,0.0
24219,CO-ADD:0256447,7.73,c(Nc1ccccc1)(nc(N\N=C(/C)\c2ccc(cc2)F)nc3Nc4ccccc4)n3,0.0
24220,CO-ADD:0253470,7.73,N1(c(cc2)ccc2C(OCC)=O)NC(\C(=C/C=C/c3ccccc3)\C1=O)=O,0.0
24221,CO-ADD:0253158,7.73,S(=O)(=O)(N(CC)CC)c1c(Br)ccc(c1)C(=O)Oc(cc2)ccc2Br,0.0
24222,CO-ADD:0254598,7.73,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c5ccc(cc5)Cl)n4.Br,0.0
24223,CO-ADD:0249402,7.73,c1(\C(\C#N)=C\c2cccs2)nc(c3n1Cc(cc4)ccc4Cl)cccc3,0.0
24224,CO-ADD:0249380,7.73,N(C(c1ccccc1)c2ccccc2)C(=O)c(cccn3)c3,0.0
24225,CO-ADD:0249512,7.73,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(cc3)ccc3OCC=C,0.0
24226,CO-ADD:0249535,7.73,N1(c2cccc(c2)C(OC)=O)C(=O)\C(\C=C1c3ccccc3)=C\c(cc4)ccc4OC,0.0
24227,CO-ADD:0252331,7.73,N(C(=O)CCOCCC(=O)N1)C(C)(C)C(C2)CC1C(C)=C2,0.0
24228,CO-ADD:0252790,7.73,n12c(S\C(=C\c(ccc(c34)OCO3)c4)\C1=O)nc(cc(C)c(C)c5)c25,0.0
24229,CO-ADD:0258512,7.73,c1(N(CC2)CCO2)nc(NCc3ccccc3)nc(Nc(cc4)ccc4F)n1.Cl,0.0
24230,CO-ADD:0259057,7.73,n1c(c2ccccc2)csc1\C(\C#N)=N\Nc3ccccc3C(F)(F)F,0.0
24231,CO-ADD:0259059,7.73,[N+](=O)([O-])c1ccc(cc1)N\N=C(/C#N)\C(=N)N(CC2)CCO2,0.0
24232,CO-ADD:0258659,7.73,n1c(c2ccccc2)csc1\C(\C#N)=C\c(cccc3[N+](=O)[O-])c3,0.0
24233,CO-ADD:0259085,7.72,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4OC)O)c4)\C1=O,0.0
24234,CO-ADD:0258653,7.72,c1(C#N)c(C)c(C)c(nc1SCC(=O)c(cc2)ccc2c(cc3)ccc3C(=O)CSc4nc(C)c(c(C)c4C#N)C)C,0.0
24235,CO-ADD:0259136,7.72,c1(SCC(=O)c(cc2)ccc2c(cc3)ccc3C(=O)CSc4nc(C)cc(C)c4C#N)nc(C)cc(C)c1C#N,0.0
24236,CO-ADD:0258605,7.72,n1(nnc(C(=O)N\N=C\c2ccccc2[N+](=O)[O-])c1CN(CC)CC)c3nonc3N,0.0
24237,CO-ADD:0258614,7.72,C1(C(OCCSC)=O)=C(C)NC(NC1c2ccc(c(Cl)c2)Cl)=O,0.0
24238,CO-ADD:0258543,7.72,C(C#N)(C1=O)=C(c2ccccc2F)N=C(SC)N1C,0.0
24239,CO-ADD:0258313,7.72,C(c1cccc(OC)c1)(O2)=Nc(c3C2=O)ccc(Br)c3,0.0
24240,CO-ADD:0258012,7.72,c(CSc1nc(C)cc(C)n1)(c(C)c(CSc2nc(C)cc(C)n2)c(c3CSc4nc(C)cc(C)n4)C)c3C,0.0
24241,CO-ADD:0250515,7.72,c12c(c3c(cccc3)[nH]1)nnc(SCC(NCCOc4ccccc4)=O)n2,0.0
24242,CO-ADD:0250051,7.72,c12n(ncn1N)c(nn2)SCC(=O)[O-].[Na+],0.0
24243,CO-ADD:0253835,7.72,c12c(c3c(NC(c4ccc(c(cccc5[N+](=O)[O-])c5)o4)O1)cccc3)nnc(SCCC)n2,0.0
24244,CO-ADD:0256218,7.72,c1(non2)c2nc(Nc(ccc(c3N4)NC4=O)c3)c(N\N=C\c5cc(Br)cc(Br)c5OCc6ccccc6)n1,0.0
24245,CO-ADD:0255643,7.72,C(=O)(Oc1ccccc1)N2CCCC2C(=O)NC3CCCCC3,0.0
24246,CO-ADD:0256572,7.72,c1(\C=C\c2cccc(cccc3)c23)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
24247,CO-ADD:0252399,7.72,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(ccc3c(cc4)c(C)c(c4[N+](=O)[O-])C)o3.Cl,0.0
24248,CO-ADD:0247932,7.72,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
24249,CO-ADD:0247901,7.72,C1(C(OCC)=O)=C(C)NC(=C2C1c3cc4c(cc3Cl)OCO4)CCCC2=O,0.0
24250,CO-ADD:0252623,7.72,c1(N2)c(cc(c(Cl)c1Cl)Cl)OC2=S,0.0
24251,CO-ADD:0255216,7.72,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)S\C(\NCc(ccc(c34)OCO3)c4)=N\c5ccccc5,0.0
24252,CO-ADD:0248162,7.72,N(C(C)c1ccccc1)C(CSc2ccccn2)=O,0.0
24253,CO-ADD:0247821,7.72,c1(ccc(\C(\C)=N\NC(Cc(cc2)ccc2OC)=O)o1)[N+](=O)[O-],0.0
24254,CO-ADD:0247531,7.72,N1(\N=C\c(cc2OC)cc(c2O)Br)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
24255,CO-ADD:0253198,7.72,C1(C(=O)OCC(F)(F)F)=C(C)NC(NC1c2cccc(OC)c2)=O,0.0
24256,CO-ADD:0255604,7.72,C(=O)(c1ccco1)N(CC2)CCN2C(CCC(O)=O)=O,0.0
24257,CO-ADD:0249934,7.72,C(C#N)(C1c(cccn2)c2)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
24258,CO-ADD:0255421,7.72,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc2ccc(cc2C(O)=O)Br,0.0
24259,CO-ADD:0255924,7.72,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(NC1c3cccc(OC)c3OC)=O,0.0
24260,CO-ADD:0253528,7.72,n1(c2c(n3)cccc2)c3S\C(=C/c4cc(Br)cc(I)c4O)\C1=O,0.0
24261,CO-ADD:0255303,7.72,C(/C1)(=C/c2cccs2)\C(=O)\C(\CN1Cc3ccccc3)=C\c4cccs4,0.0
24262,CO-ADD:0254949,7.72,[C@@]1(C)(CC2)C(C[C@@H](C[N+](=O)[O-])[C@@H]1\C(\C)=N/Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(C24)CC=C(C[C@H](CC5)OC(C)=O)[C@@]45C,0.0
24263,CO-ADD:0249549,7.72,N1(CSCC1C(=O)Nc2ccc(cc2C)I)C(=O)OCc3ccccc3,0.0
24264,CO-ADD:0252908,7.72,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3)ccc3OCc4ccc(cc4Cl)Cl,0.0
24265,CO-ADD:0254409,7.72,N(C)(C(CC1)C\C(\C2)=N/OC(=O)\C=C/c(ccc(c3OC)OC)c3)C12,0.0
24266,CO-ADD:0249135,7.72,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\C=C\c2ccccc2)n3c(c4c(cc3)cccc4)c1S(CCC)(=O)=O,0.0
24267,CO-ADD:0248996,7.72,c(c1ccccc1)(c2N)c(c3ccccc3)nn2Cc4ccccc4,0.0
24268,CO-ADD:0133871,7.72,O=C(c1[nH]c([N+](=O)[O-])cn1)N(C)C,0.0
24269,CO-ADD:0133862,7.72,c1n(Cc2cccc(OC(F)(F)F)c2)c(C(=O)N)nc1[N+](=O)[O-],0.0
24270,CO-ADD:0284843,7.72,c1(SCc2cc(Cl)ccc2Cl)sc3c(ccc(c3)\N=C\c(cc4)ccc4I)n1,0.0
24271,CO-ADD:0283820,7.72,S(=O)(=O)(N(CC)CC)c1csc(C(=O)Nc2ccccc2[N+](=O)[O-])c1,0.0
24272,CO-ADD:0284757,7.72,c12n(c(cc(C)n1)C)nc(SCc3ccccc3)n2,0.0
24273,CO-ADD:0284765,7.72,c1(NC(=O)C(CN2C(C)=O)C)c2cc(cc1[N+](=O)[O-])Br,0.0
24274,CO-ADD:0284893,7.72,N(C(=O)c(cc1)ccc1NC(=O)c2ccccc2C)c3sccn3,0.0
24275,CO-ADD:0284406,7.72,S(CCC[N+]1(CCCCC1)CC#Cc2ccccc2)(=O)(=O)[O-],0.0
24276,CO-ADD:0258020,7.72,c1(cc(Br)ccc1OC(=O)c2cccc(cccc3)c23)C(=S)N4CCCCC4,0.0
24277,CO-ADD:0257836,7.72,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(c(OC)c4)OCC)c3C#N)C#N,0.0
24278,CO-ADD:0257805,7.72,c1(\N=C\c2cccc(OC)c2OCc3ccc(cc3Cl)Cl)c(c4ccc(c(OC)c4)O)nc(cccc5)n15,0.0
24279,CO-ADD:0257838,7.71,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cc(Cl)cc(Cl)c2OCc3ccccc3,0.0
24280,CO-ADD:0257479,7.71,C(=S)(c(ccc(c1OCc2ccccc2)OC)c1)N(CC3)CCO3,0.0
24281,CO-ADD:0257551,7.71,c1(SCC(=O)Nc(cc2)cc(c2NC(CSc3sc(c4n3)cccc4)=O)Cl)sc(c5n1)cccc5,0.0
24282,CO-ADD:0256908,7.71,P(OCC)(O)(=O)c1cccc(OCCOCCOc(cccc2P(OCC)(O)=O)c2)c1,0.0
24283,CO-ADD:0256549,7.71,c1(N2CCC(CC2)C)nc(N\N=C\c(cc(I)cc3I)c3O)nc(Nc4cccc(C)c4C)n1,0.0
24284,CO-ADD:0256502,7.71,N1(c2ccc(c(C)c2)F)C(=O)\C(\C=C1c3ccccc3)=C\c(ccc4c(cc5)ccc5C(OCC)=O)o4,0.0
24285,CO-ADD:0256694,7.71,c1(NC(CCC(OCC(F)(F)F)=O)=O)sc(c2n1)cccc2,0.0
24286,CO-ADD:0257095,7.71,N1(CN(CC2)CCN2Cc3ccccc3)c(cccc4)c4\C(=N\c(cc5)ccc5OCCCCC)\C1=O,0.0
24287,CO-ADD:0257159,7.71,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(CC1=O)Nc(cc3)ccc3OCC,0.0
24288,CO-ADD:0252280,7.71,N1(C(c2ccco2)CC(c3ccc(cc3)OC)=N1)c4scc(c5ccc(c(C)c5)C)n4.Br,0.0
24289,CO-ADD:0248232,7.71,n12c(ccc(N3CCCCCC3)n1)nnc2C(F)(F)F,0.0
24290,CO-ADD:0252248,7.71,n1c2c(oc1c3ccc(cc3)NC(CSc4ccccn4)=O)ccc(c2)NC(CSc5ccccn5)=O,0.0
24291,CO-ADD:0252746,7.71,S(=O)(=O)(c1ccc(cc1)\N=C\c2cc(Cl)ccc2O)Nc3nnc(CC)s3,0.0
24292,CO-ADD:0247391,7.71,n1(nncc1C(=O)N\N=C\c2ccccc2O)c3nonc3N,0.0
24293,CO-ADD:0252199,7.71,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Cl)n1,0.0
24294,CO-ADD:0254500,7.71,S(c1ccccc1)(=O)(=O)N(CC(O)=O)c2ccc(c(Cl)c2)OC,0.0
24295,CO-ADD:0250205,7.71,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
24296,CO-ADD:0253406,7.71,c1(n2cccc2CNCC=C)sc(c3c1C#N)CCCC3,0.0
24297,CO-ADD:0256004,7.71,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C(OC)=O)=C1N)c4ccc(cc4)OC,0.0
24298,CO-ADD:0256724,7.71,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(=O)N(CC5)CCO5)c3)sc6c(ccc(OCC)c6)n1,0.0
24299,CO-ADD:0256083,7.71,c1(N(CC2)CCO2)nc(N\N=C\c(cccc3[N+](=O)[O-])c3O)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
24300,CO-ADD:0253476,7.71,N(C(=O)CSc1c(C#N)cc(c(N)n1)C#N)(c2c3cccc2)c4c(S3)cccc4,0.0
24301,CO-ADD:0250269,7.71,n1(nnc(C(OCC)=O)c1CN(CCCC)CCCC)c2nonc2N,0.0
24302,CO-ADD:0250605,7.71,N(C(=O)\C(\S1)=C\C=C\c2ccccc2)=C1N3CCCC3,0.0
24303,CO-ADD:0253520,7.71,c1(SCC(=O)N\N=C\c(cc2)ccc2OCC(=O)OC(C)(C)C)ncccn1,0.0
24304,CO-ADD:0250163,7.71,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)SC)c4sc(c5c4C#N)CCCCC5,0.0
24305,CO-ADD:0254090,7.71,N1(CC=C)C(C)(O)C(OC1=O)(C)C,0.0
24306,CO-ADD:0253530,7.71,[N+](=O)([O-])c1ccccc1SN2CCCC2C(=O)Nc3ccc(cc3C)I,0.0
24307,CO-ADD:0252794,7.71,C12(\C=N/c3ccccc3C)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OC)=O)c(cccc7)c27,0.0
24308,CO-ADD:0254456,7.71,c(c1)(c(N(CC)CC)cc(OCc2ccccc2)c1[N+](=O)[O-])[N+](=O)[O-],0.0
24309,CO-ADD:0248915,7.71,C(=O)(c1ccccc1C)Nc(ccc(c2C)I)c2,0.0
24310,CO-ADD:0254986,7.71,N1(C(=O)c2cccc(Cl)c2)N=C(CC1(O)C(F)(F)F)C,0.0
24311,CO-ADD:0254571,7.7,n1c(c2ccc(cc2)C)c(cn1c3ccccc3)\C=N\NC(COc4c(C)ccc(C(C)C)c4)=O,0.0
24312,CO-ADD:0247748,7.7,N1C(=O)\C(\SC1=S)=C/c(c2c([nH]3)cccc2)c3,0.0
24313,CO-ADD:0259110,7.7,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(OC)ccc5OC,0.0
24314,CO-ADD:0258287,7.7,n1c(c2ccc(cc2)Br)[nH]c(c3ccccc3)c1c4ccc(cc4)Oc5ccccc5,0.0
24315,CO-ADD:0259137,7.7,c(C#N)(c(SCC(N)=O)nc(c1C#N)N)c1c(cc2OC)cc(c2OC)OC,0.0
24316,CO-ADD:0258617,7.7,C1(C(OCCSC)=O)=C(C)NC(NC1c2ccccc2OCc3ccccc3)=O,0.0
24317,CO-ADD:0258338,7.7,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c3ccc(c(OC)c3)OCCC)=O,0.0
24318,CO-ADD:0283216,7.7,C(C(C)=O)(C1c2ccccc2OC)=C(O)C(N1CCc3ccccc3)=O,0.0
24319,CO-ADD:0257983,7.7,c1(NC(CSCCSCC(=O)Nc2nnc(C)s2)=O)nnc(C)s1,0.0
24320,CO-ADD:0257566,7.7,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(c4c3)cccc4)\N2CCc(cc5)ccc5S(N)(=O)=O.Br,0.0
24321,CO-ADD:0257761,7.7,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4cccc(cccc5)c45)\N2,0.0
24322,CO-ADD:0257969,7.7,C1(C)(C(=O)Nc(cc2)ccc2c3sc4c(ccc(C)c4)n3)CC1(Br)Br,0.0
24323,CO-ADD:0256623,7.7,c1(ccc(cc1Cl)Cl)C(=O)Nc(ccc(c23)c4c(cccc4)o2)c3,0.0
24324,CO-ADD:0255336,7.7,C1(c2cccc(F)c2)C(C(OCC)=O)C(=O)CC(C)(O)C1C(OCC)=O,0.0
24325,CO-ADD:0253429,7.7,s1c(SCC(=O)Nc2c(C)ccc(Cl)c2)nnc1SCC(=O)Nc3c(C)ccc(Cl)c3,0.0
24326,CO-ADD:0254099,7.7,C1(C(OCCOc2ccccc2)=O)=C(C)NC(NC1c(ccc(c3[N+](=O)[O-])O)c3)=O,0.0
24327,CO-ADD:0256866,7.7,n1(CC)c2c(c(cc(cc3)\C=C(/C#N)\C#N)c13)cccc2,0.0
24328,CO-ADD:0250153,7.7,C(=O)(c1cccs1)N(CCN(Cc2ccccc2)C(=O)c3cccs3)Cc4ccccc4,0.0
24329,CO-ADD:0252222,7.7,c1(ccccc1O)C(=O)N\N=C\c2ccc(cc2O)C,0.0
24330,CO-ADD:0247616,7.7,N1(c(cc2)ccc2C(C)CC)C(c3ccc(cc3)OCc4ccccc4)Nc(c5C1=O)cccc5,0.0
24331,CO-ADD:0253062,7.7,[n+]1(C)c2c(cccc2)ncc1c3ccc(cc3C)C.[I-],0.0
24332,CO-ADD:0253097,7.7,c1(c2ccco2)nnc(SCc3cccc(Br)c3)o1,0.0
24333,CO-ADD:0253146,7.7,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c(cc2)ccc2NC(C)=O)F,0.0
24334,CO-ADD:0252933,7.7,C(c1ccccc1)(c2ccc(cc2)N)c3ccc(cc3)N,0.0
24335,CO-ADD:0248158,7.7,N1=C(SCC(=O)NC(C)c2ccccc2)NC(C(c3ccccc3)C1=O)=O,0.0
24336,CO-ADD:0248100,7.7,c1(NC(CSC2=NC(CC(=O)N2)=O)=O)sc(c3n1)cccc3,0.0
24337,CO-ADD:0250118,7.7,[N+](=O)([O-])c1ccc(c(O)c1)NC(=O)c2ccccc2C(O)=O,0.0
24338,CO-ADD:0256379,7.7,n1(CC(=O)N\N=C\c2ccccc2C(F)(F)F)nnnc1N,0.0
24339,CO-ADD:0254064,7.7,n1c(c2ccc(cc2)C)cc(\N=C\C=C\c3ccccc3)n1c4ccccc4,0.0
24340,CO-ADD:0253392,7.7,N12C(C=CC(Cl)=C1)=NC(=C(Cl)C2=O)C,0.0
24341,CO-ADD:0256943,7.69,C(=O)(N\N=C(/C)\c1ccc(c2c1)cccc2)C(=O)Nc3c(Cl)ccc(Cl)c3,0.0
24342,CO-ADD:0256976,7.69,n1(c(cc2)c(nc1)cc2[N+](=O)[O-])C(=O)c3ccccc3C,0.0
24343,CO-ADD:0250164,7.69,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Cl)c4sc(c5c4C#N)CCCCC5,0.0
24344,CO-ADD:0250181,7.69,c1(C#N)c(SCc2ccccc2)nsc1N\N=C\c(ccc(c3OC)OC)c3,0.0
24345,CO-ADD:0253301,7.69,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])C)c1)N(c2ccc(cc2)OC)CC(=O)NCc3ccccc3,0.0
24346,CO-ADD:0253736,7.69,N1C(=O)\C(\SC1=N)=C/c(cccc2C(F)(F)F)c2,0.0
24347,CO-ADD:0255662,7.69,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Oc(cccc3NC(=O)c4ccccc4Cl)c3,0.0
24348,CO-ADD:0255622,7.69,N1(CCC(=O)Nc2ccccc2)C(=O)c3c(cccc3)C1=O,0.0
24349,CO-ADD:0255003,7.69,C(C#N)(C1c(cc2)ccc2N(CC)CC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
24350,CO-ADD:0249202,7.69,N1(c2ccccc2)\C(=N/c3ccccc3)\S\C(=C\c(ccc4Br)o4)\C1=O,0.0
24351,CO-ADD:0249666,7.69,c1(N\N=C/c(cc2)ccc2OCc3ccccc3)sc(c4n1)cccc4,0.0
24352,CO-ADD:0249646,7.69,c1([nH]c(c2n1)cccc2)\C(\C#N)=C/c(ccc(c3OC)OCC(O)=O)c3,0.0
24353,CO-ADD:0249203,7.69,c12c(c3c(NC(\C=C\c4ccccc4)O1)cccc3)nnc(SCCC)n2,0.0
24354,CO-ADD:0247445,7.69,C(=O)(C(Cl)Cl)NC(C)(C)C#N,0.0
24355,CO-ADD:0259140,7.69,N1(c2ccc(cc2)Sc(cc3)ccc3N4C(=O)C(CC4=O)Sc(cc5)ccc5[N+](=O)[O-])C(=O)C(CC1=O)Sc(cc6)ccc6[N+](=O)[O-],0.0
24356,CO-ADD:0284186,7.69,c1(nonc1N)c2nonc2N,0.0
24357,CO-ADD:0283234,7.69,c1(NC(=O)CC2c3ccc(c(OC)c3OC)OC)c2ccc(cccc4)c14,0.0
24358,CO-ADD:0284411,7.69,C(=C/c(cc1)ccc1OCCCCC)(/C2=O)\C(c3ccc(cc3)Cl)=NO2,0.0
24359,CO-ADD:0284396,7.69,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2C)C,0.0
24360,CO-ADD:0257379,7.69,c1(Nc2ccccc2)nc(NC)nc(N\N=C\c(ccc(c3OC)OCc4ccc(cc4Cl)Cl)c3)n1,0.0
24361,CO-ADD:0257955,7.69,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)NCc(cc3)ccc3F,0.0
24362,CO-ADD:0284252,7.69,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)F)n(c(c3)c1S(CCC)(=O)=O)ccn3,0.0
24363,CO-ADD:0283228,7.69,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
24364,CO-ADD:0284818,7.69,C(C(c1ccccc1)=O)(C2c(cc3)ccc3[N+](=O)[O-])=C(Nc4ccccc4)C(N2c5ccccc5)=O,0.0
24365,CO-ADD:0253311,7.69,C(=O)(N(CC1)CCN1C)c2ccccc2NC(=O)c3cccs3,0.0
24366,CO-ADD:0250138,7.69,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)C(=O)N2CCCCC2,0.0
24367,CO-ADD:0255928,7.69,c(cc(Br)c(c1)OC)(\C=N\c(cc2)ccc2O)c1OC,0.0
24368,CO-ADD:0253878,7.69,C(F)(F)(COC(=O)C1CC=CCC1C(=O)Nc(cc2)ccc2C(O)=O)C(F)F,0.0
24369,CO-ADD:0253839,7.69,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(C)o3)c4c(C)nn(c5ccccc5)c4O,0.0
24370,CO-ADD:0254094,7.69,S(C)(=O)(=O)N(c1ccccc1C)CC(=O)NC(C)(C)C,0.0
24371,CO-ADD:0247897,7.68,C(C(=O)OCc1ccccc1)(=C(C)NC(=C23)CCCC2=O)C3c4ccc(c5c4)OCO5,0.0
24372,CO-ADD:0247534,7.68,n1(nnc(C(=O)N\N=C\c2cccc(Cl)c2Cl)c1CN3CCCC3)c4nonc4N,0.0
24373,CO-ADD:0252734,7.68,C(=C\c(cc1)ccc1N(C)C)(/C(c2ccccc2)=O)\C(c3ccccc3)=O,0.0
24374,CO-ADD:0252317,7.68,C(Cl)(Cl)(Cl)C(=O)Nc1ccccc1C(O)(c2ccccc2)c3ccccc3,0.0
24375,CO-ADD:0252274,7.68,C1(C(OCCCC)=O)=C(C)NC(=C2C1c3cc4c(cc3Br)OCO4)CCCC2=O,0.0
24376,CO-ADD:0252725,7.68,c1(N\C(=N\OC(C)=O)\C(=N/OC(C)=O)\Nc2sc(c3c2C(OCC)=O)CCCC3)sc(c4c1C(OCC)=O)CCCC4,0.0
24377,CO-ADD:0247939,7.68,c1(SCC(NCCc(ccc(c2OC)OC)c2)=O)sc3c(ccc(c3)\N=C\c(cc4)ccc4F)n1,0.0
24378,CO-ADD:0250342,7.68,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(NCCSCc(cc2)ccc2Cl)=O,0.0
24379,CO-ADD:0255839,7.68,C1(=C(C)NC(NC1c(cc2OC)cc(c2O)Cl)=O)C(=O)OC(C)C(C)(C)C,0.0
24380,CO-ADD:0253663,7.68,C1(C2Cl)C(CC2Sc3ccccc3[N+](=O)[O-])C(c4ccc(cc4)F)Nc(ccc(C(O)=O)c5)c15,0.0
24381,CO-ADD:0255511,7.68,S(C)(=O)(=O)N(c1ccccc1C)CC(=O)Nc2ccccc2OC,0.0
24382,CO-ADD:0250569,7.68,C1(C#N)(C#N)C(c(ccs2)c2)C(C3)C(C(C#N)=C1N)=CCN3CC,0.0
24383,CO-ADD:0256929,7.68,c1(cc(c(c2ccccc2)s1)c3ccccc3)\C(\C(OCC)=O)=N\NC(N)=S,0.0
24384,CO-ADD:0250740,7.68,S(=O)(=O)(c(cccc1C(=O)Nc(cc2)ccc2Br)c1)N3CCCC3,0.0
24385,CO-ADD:0253303,7.68,C(=S)(c(ccc(c1OC(=O)c2cccc(C)c2)OC)c1)N3CCCCC3,0.0
24386,CO-ADD:0253232,7.68,c12c(nnc(SC(CC)C(=O)Nc3sc(c4c3C#N)CCCC4)n1)c5c(cccc5)n2C,0.0
24387,CO-ADD:0253234,7.68,c1(NC(=O)C(CC)SC2=NCCS2)sc(c3c1C(OCC)=O)CCCC3,0.0
24388,CO-ADD:0250649,7.68,c1(N(CC2)CCO2)nc(Oc3ccc(cc3OC)C=O)nc(Nc4ccc(cc4Br)C)n1,0.0
24389,CO-ADD:0253746,7.68,C12=C(C(NC(c3ccc(cc3)C)N1)=O)SC(=S)N2c4ccccc4,0.0
24390,CO-ADD:0249780,7.68,N1C(c(cc2)ccc2[N+](=O)[O-])C(CC=C3)C3c(ccc(c4)C(O)=O)c14,0.0
24391,CO-ADD:0249782,7.68,N1=C(SCC(=O)Nc(cc2)ccc2S(N)(=O)=O)NC(C(c3ccccc3)C1=O)=O,0.0
24392,CO-ADD:0249236,7.68,c1(c2ccc(cc2)I)ccc(\C=N/NC(=O)c(ccc(c34)OCO3)c4)o1,0.0
24393,CO-ADD:0249219,7.68,n1(CC)c2c(c(cc(cc3)\C=N\c(cc4)ccc4Cl)c13)cccc2,0.0
24394,CO-ADD:0249577,7.68,N1c2c(\C(=N\c(cc3)ccc3Br)\C1=O)cccc2Cl,0.0
24395,CO-ADD:0248972,7.68,c(C(OCC)=O)(c1C)c(c2ccc(cc2)OC)c(n1C)c3ccc(cc3)OC,0.0
24396,CO-ADD:0284389,7.68,N1(c2ccc(cc2)I)C(=O)CC(N(CC3)CCN3c4ccc(cc4)F)C1=O,0.0
24397,CO-ADD:0284429,7.68,c1([N+](=O)[O-])nc(n(CC(C)=NN2)c12)C,0.0
24398,CO-ADD:0284575,7.68,S(=O)(=O)(N1CCCCC1)c(ccc(c2C(=O)Oc3c(Cl)cc(c(cccn4)c34)Cl)Cl)c2,0.0
24399,CO-ADD:0284439,7.68,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(ccc4c(cc5)c(C)c(c5[N+](=O)[O-])C)o4)\C1=O,0.0
24400,CO-ADD:0284494,7.68,c12c(nnc(SC(CC)C(=O)Nc3nnc(CCC)s3)n1)c4c(cccc4)n2CC=C,0.0
24401,CO-ADD:0284239,7.68,n1(c2ccc(cc2)C)c(c3ccccc3)c(cc1c4ccccc4)\C=N\NC(=O)c5cccc(O)c5,0.0
24402,CO-ADD:0257746,7.68,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(=C\c(ccc(c3)N(CC)CC)c3OC)\C(N(c4ccccc4)C1=S)=O,0.0
24403,CO-ADD:0258663,7.68,C(Nc(cc1)ccc1S(=O)(=O)Nc2sccn2)(C(F)(F)F)(C(F)(F)F)NC(OCC)=O,0.0
24404,CO-ADD:0257235,7.68,N1\C(=N/C)\SC(CC(=O)Nc2cccc(C)c2)C1=O,0.0
24405,CO-ADD:0257725,7.68,n1(c(C)ccc1C)c2cccc(c2)C(=O)N\N=C\c(cc(Br)cc3I)c3O,0.0
24406,CO-ADD:0257373,7.68,c1(C#N)c2c(sc1\N=C\c(ccc3c4ccc(cc4)Br)o3)CCCC2,0.0
24407,CO-ADD:0257718,7.68,c1(cc(Br)ccc1OC(=O)c(cc2OC)cc(c2OC)OC)C(=S)N3CCCCC3,0.0
24408,CO-ADD:0253774,7.68,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)c(ccc3c4Cc(c35)cccc5)c4)n1C,0.0
24409,CO-ADD:0250292,7.68,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3cc(Br)ccc3OC(C)C,0.0
24410,CO-ADD:0250384,7.68,n1(c2ccccc2)nnnc1SCc3c(cccc3F)Cl,0.0
24411,CO-ADD:0256636,7.67,N1(c2ccc(c3c2)cccc3)C(=O)c4c(N=C1c(cc5)ccc5[N+](=O)[O-])cccc4,0.0
24412,CO-ADD:0256613,7.67,n1(c2ccc(cc2)Br)c(c3ccccc3)c(cc1c4ccccc4)\C=N\NC(=O)c(cc5)ccc5[N+](=O)[O-],0.0
24413,CO-ADD:0255516,7.67,N1(c2ccc(cc2)I)C(=O)CC(N3CCC(CC3)C)C1=O,0.0
24414,CO-ADD:0248113,7.67,[C@]1(C#N)(C#N)[C@]([H])(c2ccccc2)[C@@](N3[C@]1([H])c4c(cccc4)C=C3)([H])C(c5ccccc5)=O,0.0
24415,CO-ADD:0252916,7.67,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\c3ccc(cc3C)C)o2)C)c1,0.0
24416,CO-ADD:0252715,7.67,c(Nc1ccccc1C)(c2)nc(nc2Nc3ccccc3C)C,0.0
24417,CO-ADD:0252650,7.67,c1(c(ccc(c2[N+](=O)[O-])Cl)c2)sc(c3n1)cccc3,0.0
24418,CO-ADD:0247551,7.67,N1(c2ccc(c(Cl)c2)Cl)C(=O)C=C(c3ccc(cc3)Cl)C1=O,0.0
24419,CO-ADD:0255226,7.67,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N(CC)CC)n4.Br,0.0
24420,CO-ADD:0255211,7.67,N1(c(cc2)ccc2C(OC)=O)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
24421,CO-ADD:0247880,7.67,C(=O)(c1ccc(cc1)OC(C)=O)Nc(cc2)ccc2C(O)=O,0.0
24422,CO-ADD:0256337,7.67,C1(=O)OC2(C(=C)N1CCCCCCC)CCCCC2,0.0
24423,CO-ADD:0256377,7.67,n1(CC(=O)N\N=C\c2ccccc2O)nnnc1N,0.0
24424,CO-ADD:0256634,7.67,C(=O)(N\N=C\c1c(O)ccc(cccc2)c12)C(=O)Nc3c(Cl)ccc(Cl)c3,0.0
24425,CO-ADD:0255452,7.67,C(C(OC)=O)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
24426,CO-ADD:0256718,7.67,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(=O)Nc3ccccc3OC)[N+](=O)[O-],0.0
24427,CO-ADD:0255399,7.67,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5OC)cc(c5OCc6ccccc6)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
24428,CO-ADD:0256298,7.67,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cn(n2)Cc3ccc(cc3Cl)Cl)c2c4ccccc4,0.0
24429,CO-ADD:0256587,7.67,[N+](=O)([O-])c(cc1)ccc1C(=O)OCC(=O)Nc2nncs2,0.0
24430,CO-ADD:0250198,7.67,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
24431,CO-ADD:0254013,7.67,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc(n4c5ccc(cc5)C)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
24432,CO-ADD:0253561,7.67,c1(SCC(=O)NC2CC2)oc(c3n1)cccc3,0.0
24433,CO-ADD:0249213,7.67,N1(c2cccc(c2)C(O)=O)C(=O)C3C(CC(=C(C)C3)C)C1=O,0.0
24434,CO-ADD:0248027,7.67,c1(C#N)c(C)c(sc1\N=C\c(c2c([nH]3)cccc2)c3)C,0.0
24435,CO-ADD:0247626,7.67,C(=O)(N\N=C(/C)\C(C)(C)C)\C(=C\C=C\c1ccccc1)\NC(c2ccccc2)=O,0.0
24436,CO-ADD:0248050,7.67,n1(c(C)cc(C)n1)C(=O)c2cccc(c2C)[N+](=O)[O-],0.0
24437,CO-ADD:0249677,7.67,c1(N2CCC(CC2)C)nc(N\N=C\c3ccccc3O)nc(Nc4cccc(C)c4C)n1,0.0
24438,CO-ADD:0249481,7.67,c1(N\N=C\c2c(O)ccc(cccc3)c23)sc(c4n1)cccc4,0.0
24439,CO-ADD:0283671,7.67,C1(C(OCCSC)=O)=C(C)NC(NC1c2ccccc2OCCC)=O,0.0
24440,CO-ADD:0283665,7.67,C1(C(OCCOC(C)C)=O)=C(C)NC(NC1c2cccc(OCC)c2)=O,0.0
24441,CO-ADD:0283681,7.67,N1(c2ccc(cc2)OCCCC)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
24442,CO-ADD:0279097,7.67,N1(c2cccc(OC)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc(cc4C(O)=O)C(O)=O)c4,0.0
24443,CO-ADD:0283131,7.67,C(/c1c(cccc1)CC2(C)C)(\N2)=C(/C(CCC3)=O)\C3=O,0.0
24444,CO-ADD:0284268,7.67,N12C(S\C(=C\c(ccc(c3)N(CC)CC)c3OC)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)c(cc4Br)OC,0.0
24445,CO-ADD:0257199,7.66,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c3ccccc3)\N2CCO)N4CCCCC4.Br,0.0
24446,CO-ADD:0257263,7.66,[nH]1c(cccc2)c2c(CCNC(=O)C(Cc3ccccc3)NC(OCc4ccccc4)=O)c1,0.0
24447,CO-ADD:0257279,7.66,N1(c2ccccc2OC)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
24448,CO-ADD:0256158,7.66,c1(C(=O)NC(C)c2ccccc2)c(C)nc(cccc3)n13,0.0
24449,CO-ADD:0255600,7.66,C(=O)(Nc1cccc(Cl)c1)C(c2ccccc2)NC(=O)c3ccc(cc3)Cl,0.0
24450,CO-ADD:0256974,7.66,C(=C/c1ccc(C)o1)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
24451,CO-ADD:0256467,7.66,[N+](=O)([O-])c(cc1)ccc1\C=C(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc(Br)cc3Br)c3O,0.0
24452,CO-ADD:0253534,7.66,c1(SCC(=O)c2ccc(cc2)CC)nnnn1C,0.0
24453,CO-ADD:0247874,7.66,n1(c2ccccc2)c(SCC(=O)Nc3ccccc3)nnc1c4ccc(c(OC)c4)OC,0.0
24454,CO-ADD:0247602,7.66,C(C(OCC)=O)(C1c2ccc(cc2)Br)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
24455,CO-ADD:0252738,7.66,N(\C(=C/c(cccc1[N+](=O)[O-])c1)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])Cl)c3,0.0
24456,CO-ADD:0252635,7.66,C1(\N=C\c(cccn2)c2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
24457,CO-ADD:0253107,7.66,c1(SCC(=O)Oc(ccc(c23)C=CC(=O)O2)c3)nc(C)cc(C)n1,0.0
24458,CO-ADD:0252412,7.66,S(=O)(=O)(Nc(cc1)ccc1\C(\C)=N/NC(=O)c2ccccc2O)c3ccccc3[N+](=O)[O-],0.0
24459,CO-ADD:0253125,7.66,N(CN1CCC(CC1)C)(C2=S)N=C(N2c3ccccc3)c4ccco4,0.0
24460,CO-ADD:0250246,7.66,C(C#N)(C1c2ccc(cc2)Cl)=C(SCc(cccc3[N+](=O)[O-])c3)NC(C)=C1C(C)=O,0.0
24461,CO-ADD:0255774,7.66,C1(C(=O)OCC2CCCO2)=C(C)NC(=O)NC1c3ccc(cc3)Br,0.0
24462,CO-ADD:0255615,7.66,c1(NC(c2ccccc2)=O)c(c3ccccc3)nc4n1cccn4,0.0
24463,CO-ADD:0253690,7.66,C1(=NC(Cc(cccc2)c12)(C)C)C(Cc3ccccc3)C(N)=O,0.0
24464,CO-ADD:0253420,7.66,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Br)CC(=O)N3CCCCCC3,0.0
24465,CO-ADD:0256010,7.66,n1c(c2ccc(cc2)C)cc(\N=C\c3ccccc3OCc4ccccc4Cl)n1c5ccccc5,0.0
24466,CO-ADD:0253732,7.66,n1(C)c(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc4ccccc4F)c2)nnc1c5ccccc5,0.0
24467,CO-ADD:0250694,7.66,n1(nnc(C(=O)N\N=C\c2ccccc2Br)c1CN3CCCC3)c4nonc4N,0.0
24468,CO-ADD:0253436,7.66,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(\c3ccc(cc3)F)/c(cc4)ccc4N5CCCCC5)c6nonc6N,0.0
24469,CO-ADD:0255796,7.65,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=O)NC1c3ccc(cc3)O,0.0
24470,CO-ADD:0255756,7.65,C1(C(OCCOc2ccccc2)=O)=C(C)NC(NC1c(cc3OC)cc(c3O)Cl)=O,0.0
24471,CO-ADD:0250050,7.65,C1(NS(CCl)(=O)=O)=C(C)N(N(c2ccccc2)C1=O)C,0.0
24472,CO-ADD:0249602,7.65,N1(c2ccc(c(Cl)c2)C)C(c3ccc(cc3)Br)Nc(c4C1=O)cccc4,0.0
24473,CO-ADD:0248868,7.65,C(=O)(CN1CCCCC1)N\N=C\c(cc2)ccc2OCc(cc3)ccc3C,0.0
24474,CO-ADD:0249673,7.65,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4[N+](=O)[O-],0.0
24475,CO-ADD:0249482,7.65,C(=O)(C(C)Sc1ccccc1)NCc(cc2)ccc2Cl,0.0
24476,CO-ADD:0249474,7.65,C(c1ccccc1)(N(CC2)CCO2)N(CC3)CCO3,0.0
24477,CO-ADD:0249734,7.65,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(=O)N\N=C(/C)\C(C)(C)C,0.0
24478,CO-ADD:0284276,7.65,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3OC)cc(c3OCc4ccc(cc4Cl)Cl)I)\N2C5CCCCC5,0.0
24479,CO-ADD:0278494,7.65,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)Br,0.0
24480,CO-ADD:0278503,7.65,c1(O2)c(c([nH]n1)C)C(C(C#N)=C2N)c(cc3)ccc3N(C)C,0.0
24481,CO-ADD:0284024,7.65,S(=O)(=O)(c(cccc1C(=O)N2CCCc(cccc3)c23)c1)NC4CCCCCC4,0.0
24482,CO-ADD:0283375,7.65,c1(Sc2ccccc2)c3c([nH]c1CCC(OC)=O)cccc3,0.0
24483,CO-ADD:0277401,7.65,n12c(S\C(=C/c(cc3)cc(c3OC(C)C)OC)\C1=O)nc(cc(C)c(C)c4)c24,0.0
24484,CO-ADD:0257540,7.65,N(C(=O)C(CC)C(N1)=O)=C1SCC(=O)Nc2ccccc2C#N,0.0
24485,CO-ADD:0278859,7.65,C(=O)(c1ccc(cc1)Cl)Nc2cc(ccc2NC(=O)c3ccc(cc3)Cl)C(O)=O,0.0
24486,CO-ADD:0253751,7.65,C1(C(OCCCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OC)=O,0.0
24487,CO-ADD:0256901,7.65,C(C)(O)(CC(=O)C(C1c2ccc(cc2)Br)C(C)=O)C1C(C)=O,0.0
24488,CO-ADD:0255501,7.65,c(C(=O)Cc1ccccc1)(c(C)[nH]c2C(OCC)=O)c2C,0.0
24489,CO-ADD:0249898,7.65,s1c(c2ccc(cc2)OC)nnc1NC(=O)c(cc3)ccc3C(C)(C)C,0.0
24490,CO-ADD:0250512,7.65,N1(Cc2ccccc2)C(=S)NN=C1c3ccc(cc3Cl)Cl,0.0
24491,CO-ADD:0255747,7.65,C1(=C(C)NC(NC1c2ccc(c(OCC)c2)O)=O)C(=O)OC(C)C(C)(C)C,0.0
24492,CO-ADD:0248244,7.65,[N+](=O)([O-])c(cccc1C(=O)Nc2cc(ccc2N3CCCC3)C(F)(F)F)c1,0.0
24493,CO-ADD:0247812,7.65,c1(c(C)cc(cc1C)C)NC(CN(CCc(ccc(c2OC)OC)c2)CC(=O)Nc3c(C)cc(cc3C)C)=O,0.0
24494,CO-ADD:0248087,7.65,C1(c2ccc(c(OC)c2)OC)=C(N)C(NC1=O)=O,0.0
24495,CO-ADD:0252461,7.65,c1(Nc(cc2)ccc2C(C)C)nc(OC)nc(OC)n1,0.0
24496,CO-ADD:0248080,7.65,n1(Cc2cccc(Cl)c2)c(N)cc(c3ccc(cc3)C)n1,0.0
24497,CO-ADD:0248290,7.65,c1(NC(=O)c2c(Cl)ccc(c2)[N+](=O)[O-])sc(c3c1C#N)CCCC3,0.0
24498,CO-ADD:0247548,7.65,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
24499,CO-ADD:0247564,7.65,c1(C(=O)N\N=C\c2ccc(cc2OC)OC)cc(nn1C)I,0.0
24500,CO-ADD:0255541,7.65,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4cccc(O)c4,0.0
24501,CO-ADD:0249890,7.65,N1(CC(CC1C(=O)Nc2ccccc2C)O)C(=O)OCc3ccccc3,0.0
24502,CO-ADD:0253665,7.65,c12c(cccc1C(F)(F)F)C3C(C(C(O)=O)N2)CC=C3,0.0
24503,CO-ADD:0255487,7.65,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(c(OC)c3)OC)c4sc(c5c4C#N)CCCCC5,0.0
24504,CO-ADD:0256978,7.64,C1(=Cc(cccc2CC=C)c2OC1=O)C(=O)N(CC3)CCN3Cc4ccccc4,0.0
24505,CO-ADD:0253918,7.64,c1(C)c(\C=N\NC(CSc(cc2)ccc2Cl)=O)ccc(C)c1C,0.0
24506,CO-ADD:0250609,7.64,N1(c2cccc(Cl)c2)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3O)OC,0.0
24507,CO-ADD:0255826,7.64,c1(C#N)c2c(sc1\N=C\c3ccc(C)s3)CCCC2,0.0
24508,CO-ADD:0250189,7.64,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c(cc4)ccc4Br)n1,0.0
24509,CO-ADD:0250421,7.64,c1(non2)c2nc(Nc3cccc(C)c3C)c(N\N=C\c4cccc(Cl)c4Cl)n1,0.0
24510,CO-ADD:0255534,7.64,C1(C(=O)OC2CCCCCCC2)=C(C)NC(NC1c3ccc(c(OCC)c3)O)=O,0.0
24511,CO-ADD:0254778,7.64,C1(C(OCC)=O)=C(C)NC(=O)CC1c2cccc(Oc3ccccc3)c2,0.0
24512,CO-ADD:0249787,7.64,N1(c2ccccc2C)C(=O)C(C3C1=O)C(c4ccccc4)CCC3c5ccccc5,0.0
24513,CO-ADD:0249454,7.64,c1(\C=N\NC(COc2ccc(cc2OC)CC=C)=O)c(OCC=C)ccc(cccc3)c13,0.0
24514,CO-ADD:0249524,7.64,n1(nnc(C(=O)N\N=C\c(cc2)ccc2OCCCC)c1CN3CCCCCC3)c4nonc4N,0.0
24515,CO-ADD:0249442,7.64,c1(Br)c2c(cccc2)ccc1OC(CC)C(=O)N\N=C\c3cc(Br)ccc3OCC=C,0.0
24516,CO-ADD:0278408,7.64,c(nc(c1ccco1)cc2C(F)(F)F)(c3Br)n2nc3C(=O)N(CC4)CCN4C,0.0
24517,CO-ADD:0278483,7.64,c1(C2c(cccc3[N+](=O)[O-])c3)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
24518,CO-ADD:0283156,7.64,C1(C2c(cc3)ccc3C#Cc4ccccc4)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC5=O)=C25,0.0
24519,CO-ADD:0279122,7.64,C(=O)(c1ccc(cc1)OC)Nc2ccc(c(C)c2C)O,0.0
24520,CO-ADD:0283315,7.64,n1c(c2ccc(cc2)C)csc1Nc3ccccc3C,0.0
24521,CO-ADD:0284093,7.64,n(cc1)ccc1CCNCCBr,0.0
24522,CO-ADD:0278915,7.64,N1(c(ccc(c2NC(=O)c3ccc(cc3Cl)Cl)OC)c2)C(=O)C4C(CCCC4)C1=O,0.0
24523,CO-ADD:0279027,7.64,n1(CC=C)c(CCCO)nnc1S,0.0
24524,CO-ADD:0278836,7.64,c1(NC(=O)Cn(ncc2[N+](=O)[O-])c2)sc(c3c1C#N)CCC3,0.0
24525,CO-ADD:0278868,7.64,C1(C(=O)OC(C)CC)=C(C)NC(=O)CC1c2ccccc2Br,0.0
24526,CO-ADD:0278876,7.64,C(C(C)=O)(C1c2ccccc2F)=C(O)C(N1CCC(O)=O)=O,0.0
24527,CO-ADD:0283629,7.64,N1(c2ccc(c(Cl)c2)F)C(c3ccc(cc3)OCCCC)Nc(c4C1=O)cccc4,0.0
24528,CO-ADD:0253879,7.64,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)c(ccc4c5Cc(c46)cccc6)c5)ccc(I)c3,0.0
24529,CO-ADD:0253352,7.64,N1(c2ccccc2)\C(=N/c3ccccc3)\S\C(=C\c4ccccn4)\C1=O,0.0
24530,CO-ADD:0256505,7.64,c1(cc(ccc1N(CC2)CCN2C)\C=C(\C3=O)/Sc(c34)cccc4)[N+](=O)[O-],0.0
24531,CO-ADD:0253716,7.64,N1(Cc2ccccc2)C(=O)C(C(C1=O)C34C#N)C(c(c35)cccc5)c(c46)cccc6,0.0
24532,CO-ADD:0250655,7.64,N1(c2ccccc2C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C(OCC)=O)=C1N)c4ccc(Br)s4,0.0
24533,CO-ADD:0253706,7.64,c1(c(cc(F)c(c2F)F)c2F)c(C(OCC)=O)cnn1c3nc(c4ccccc4)cc(c5ccccc5)n3,0.0
24534,CO-ADD:0134095,7.64,O=C(c1[nH]c([N+](=O)[O-])cn1)NCCO,0.0
24535,CO-ADD:0134092,7.64,O=C(c1[nH]c([N+](=O)[O-])cn1)N(C(C)c2ccc(F)cc2)[H],0.0
24536,CO-ADD:0255212,7.64,N1(c(cc2)ccc2C(OC)=O)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
24537,CO-ADD:0255190,7.64,c1(cc(ccc1N(CC2)CCN2Cc3ccccc3)\C=N\NC(CNc4ccccc4)=O)[N+](=O)[O-],0.0
24538,CO-ADD:0255163,7.64,[N+](=O)([O-])c1ccccc1C(=O)Nc(cc2)ccc2c(cc(c(cc3)ccc3NC(=O)c4ccccc4[N+](=O)[O-])nc5c6ccccc6)n5,0.0
24539,CO-ADD:0252865,7.64,C(C(OCC)=O)(Nc1ccccc1C(F)(F)F)(C(F)(F)F)NC(=O)c(cccn2)c2,0.0
24540,CO-ADD:0252289,7.64,S(CC)(=O)(=O)CCN1CCCCC1,0.0
24541,CO-ADD:0248227,7.64,n12c(ccc(N(CC3)CCO3)n1)nnc2C(F)(F)F,0.0
24542,CO-ADD:0252574,7.63,N1\C(=N/C(C(C)(C)C)\C=C\c2ccc(cc2Cl)Cl)\C3(N(Cc4ccccc4)C1=S)CCCCC3,0.0
24543,CO-ADD:0252591,7.63,C(OC(C)C)(=O)ON(C)C(OCCNC(OC(C)C)=O)=O,0.0
24544,CO-ADD:0255593,7.63,C(c1ccccc1Cl)(NC(c2ccccc2)=O)C(=O)Nc3cccc(Cl)c3,0.0
24545,CO-ADD:0250405,7.63,c(C#N)(c(\C(\C#N)=C\c(cc1)ccc1OCc2c(cccc2Cl)F)nn3c4ccccc4)c3N,0.0
24546,CO-ADD:0255633,7.63,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)NCc3ccccn3,0.0
24547,CO-ADD:0253802,7.63,C(=C/c(ccc(c1OCC)OCc2ccccc2)c1)(/C3=O)\C(c4ccccc4)=NO3,0.0
24548,CO-ADD:0253850,7.63,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)F)OC(N(CC3)CCO3)=N1,0.0
24549,CO-ADD:0254004,7.63,S(C)(=O)(=O)N(c1ccc(cc1)C)CC(=O)N\N=C(/C)\c(cccc2NC(=O)c3cccc(Cl)c3)c2,0.0
24550,CO-ADD:0250676,7.63,N1c(ccc(c2)C)c2C3C(CC=C3)C1c4ccc(cc4)\N=C\c(cc5)ccc5[N+](=O)[O-],0.0
24551,CO-ADD:0253547,7.63,C(c1ccc(cc1)OCc2ccccc2)(NC(Cc3ccccc3)=O)NC(Cc4ccccc4)=O,0.0
24552,CO-ADD:0253571,7.63,c(c1c(s2)CCCC1)(C(=O)N(C)C(=N3)SCc(cc4)ccc4OC)c23,0.0
24553,CO-ADD:0250172,7.63,S(=O)(=O)(N(c1ccccc1)CC(=O)NCC(C)C)c2ccccc2[N+](=O)[O-],0.0
24554,CO-ADD:0254062,7.63,c1(N(CC2)CCO2)scc(c3ccc(cc3)F)n1,0.0
24555,CO-ADD:0249276,7.63,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c4cc(I)ccc4O)n1,0.0
24556,CO-ADD:0249239,7.63,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(=O)C(C(C3c4c5cccc4)C1=O)C5c(c36)cccc6,0.0
24557,CO-ADD:0249230,7.63,N1(c2ccccc2)\C(=N/c3ccccc3)\S\C(=C/c4cc(Br)ccc4OCC(O)=O)\C1=O,0.0
24558,CO-ADD:0249260,7.63,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n1,0.0
24559,CO-ADD:0247628,7.63,c1(ccccc1NC(=O)c(cc2)cc[n+]2[O-])C(OC)=O,0.0
24560,CO-ADD:0247794,7.63,[N+](=O)([O-])c1ccc(cc1)\C=C\C=C(/C(=O)OCC(C)C)\NC(c2ccccc2)=O,0.0
24561,CO-ADD:0283326,7.63,N1(c2ccc(cc2Br)Br)C(=O)CC(N3CCCCC3C)C1=O,0.0
24562,CO-ADD:0283366,7.63,c1(C(c2ccccc2)=O)c3c(oc1C)ccc(O)c3,0.0
24563,CO-ADD:0284102,7.63,c(C(OCC)=O)(c(cc(O)cc1)c1n2Cc3ccccc3)c2C,0.0
24564,CO-ADD:0278998,7.63,N1(CC(CC1=O)C(=O)Nc2cccc(Cl)c2C)c3cccc(Cl)c3C,0.0
24565,CO-ADD:0283344,7.63,C12(C(=O)OC(c3ccccc3)=C1c4ccccc4)OC2(c5ccccc5)c6ccccc6,0.0
24566,CO-ADD:0284152,7.63,c1(NC(=O)c2ccco2)sc(c(CCN3C(OCC)=O)c1C(OCC)=O)C3,0.0
24567,CO-ADD:0277478,7.63,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(O)C(N2CO)=O,0.0
24568,CO-ADD:0279045,7.63,C(C)(C)(Sc1cc(C)ccc1O)Sc2cc(C)ccc2O,0.0
24569,CO-ADD:0277415,7.63,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c(c2c3cccc2)c4c(n3)CCCC4,0.0
24570,CO-ADD:0259046,7.63,N(CC1)(C(C)(C)C#C)CC(C1(O)c2ccccc2)C.Br,0.0
24571,CO-ADD:0258137,7.63,C1(C(=O)OCC2CCCCC2)=C(C)NC(=O)NC1c(cc3)ccc3N(CC)CC,0.0
24572,CO-ADD:0284609,7.62,C(C(C)=O)(C1c2ccc(cc2)F)=C(O)C(N1CCCCCCCCCCCCCCCC)=O,0.0
24573,CO-ADD:0255362,7.62,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(cc4)ccc4N(C)C)\C1=O,0.0
24574,CO-ADD:0255698,7.62,C1(\C(=N\O)\C#N)=NC(Cc(cccc2)c12)(C)C,0.0
24575,CO-ADD:0255842,7.62,N1(CCCc(cccc2)c12)C(=O)c(cccc3C(=O)N4CCCc(cccc5)c45)c3,0.0
24576,CO-ADD:0253616,7.62,C12c(cccc3)c3C(C(CC)C1C(=O)Nc(cc4)ccc4C)c(cccc5)c25,0.0
24577,CO-ADD:0257055,7.62,n1(c2ccccc2)c(COc3ccccc3)nnc1SCC(=O)Nc(cc4)ccc4Br,0.0
24578,CO-ADD:0253260,7.62,N1(C(=O)c2cccc(Cl)c2)C(O)(c3ccc(cc3)Cl)CC(C(F)(F)F)=N1,0.0
24579,CO-ADD:0135150,7.62,c1([N+]([O-])=O)nc(C(OCC)=O)n(Cc2ccc(OC(F)(F)F)cc2)c1,0.0
24580,CO-ADD:0135149,7.62,O=C(c1n(Cc2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])n1)NC,0.0
24581,CO-ADD:0135144,7.62,O=C(c1n(CCO)cc([N+](=O)[O-])n1)N,0.0
24582,CO-ADD:0252449,7.62,N(C(=O)COC(=O)C(CC(C)C)NC(c1ccccc1)=O)(c2c3cccc2)c4c(S3)cccc4,0.0
24583,CO-ADD:0248096,7.62,N1(CSc2nnc(C)[nH]2)C(=O)c3c(cccc3)C1=O,0.0
24584,CO-ADD:0247366,7.62,c1(SCC(=O)c2ccc(cc2)F)sc3c(ccc(OCC)c3)n1,0.0
24585,CO-ADD:0252887,7.62,c1(N(c2ccccc2)c3ccccc3)nc(Cl)nc(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1,0.0
24586,CO-ADD:0247395,7.62,c1(NC(CSc2[nH]ncn2)=O)nnc(CC)s1,0.0
24587,CO-ADD:0247359,7.62,n1c(Nc(c2)cc(cc2C)C)scc1c3cc(C)ccc3C.Br,0.0
24588,CO-ADD:0247857,7.62,C(F)(F)(F)c(cc(cc1C(F)(F)F)C(NCCOc2cccc(OC)c2)=O)c1,0.0
24589,CO-ADD:0256177,7.62,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)N\N=C(/CCCCCC2)\C2)c3cc(C)cc(C)c3,0.0
24590,CO-ADD:0256564,7.62,C(CSc1ccccn1)(=O)Nc(cc2)ccc2Sc(cc3)ccc3NC(CSc4ccccn4)=O,0.0
24591,CO-ADD:0256924,7.62,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(cc3)ccc3C(C)C,0.0
24592,CO-ADD:0256690,7.62,C(=C/c(cc1Br)c(OC)cc1N(CC)CC)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
24593,CO-ADD:0256090,7.62,c1(N(CC2)CCO2)nc(N\N=C/c(ccc3c4ccc(cc4Cl)[N+](=O)[O-])o3)nc(Nc5cc(C)ccc5C)n1.Cl,0.0
24594,CO-ADD:0255637,7.62,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C(/CC4)\CCN4C)C2,0.0
24595,CO-ADD:0256571,7.62,c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])(c1CCN(CC2)CCO2)[N+](=O)[O-],0.0
24596,CO-ADD:0255891,7.62,N1(\N=C\c2ccco2)C(=O)C3C(C4C5(CC5)C3C=C4)C1=O,0.0
24597,CO-ADD:0255661,7.62,N1(c2cccc(c2)OC(=O)c(ccc(c3S(=O)(=O)N(CC)CC)C)c3)C(=O)c(c4C1=O)cccc4,0.0
24598,CO-ADD:0256586,7.62,N1(N)C(SC)=NN(CC(=O)Nc(cc2)ccc2C(OC)=O)C1=S,0.0
24599,CO-ADD:0256909,7.62,C1(C(=O)Nc2c(cccc2Cl)Cl)C(C13)CC\C=C\CC\C=C/CC3,0.0
24600,CO-ADD:0253304,7.62,N1(c(cc2)ccn2)C(=O)C(C(C1=O)C34C(OC)OC)C(c(c35)cccc5)c(c46)cccc6,0.0
24601,CO-ADD:0252539,7.62,N(c1c(C)cc(cc1C)C)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
24602,CO-ADD:0254851,7.62,N12C(S\C(=C\c(cccc3[N+](=O)[O-])c3)\C1=O)=C(C(c(cccc4[N+](=O)[O-])c4)C(C#N)=C2N)C(OC)=O,0.0
24603,CO-ADD:0254812,7.62,c1(C#N)c(c2cccs2)c(CCC(C3)C(C)(C)C)c3nc1SCc4cccc(OC)c4,0.0
24604,CO-ADD:0248836,7.62,C(Sc(cc1)ccc1N(CC)CC)(C(OC)=O)(C(F)(F)F)C(F)(F)F,0.0
24605,CO-ADD:0252643,7.62,S(=O)(=O)(c1ccc(cc1)C)N\N=C(\C=C\c2ccccc2)/C#Cc3ccccc3,0.0
24606,CO-ADD:0254319,7.62,N1\C(=N/N=C(\C)/c2ccc(cc2)C)\SC(CC(O)=O)C1=O,0.0
24607,CO-ADD:0283345,7.62,c(C(=O)c1ccc(cc1)Cl)(sc(c2c3C)nc(c3C(=O)Nc4ccccc4)C)c2N,0.0
24608,CO-ADD:0279176,7.62,c1(sc(c2n1)cccc2)S\C(\c3ccccc3)=N\Nc4ccccc4,0.0
24609,CO-ADD:0278704,7.62,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc4)ccc4C#N)\C1=O)=NC(C)=C2C(OCC)=O,0.0
24610,CO-ADD:0283706,7.62,N1(C(=O)C=CC1=O)c2ccc(cc2C)C,0.0
24611,CO-ADD:0283388,7.62,C1(c2cccc(OC)c2)(c3cccc(OC)c3)CC1C(=O)Nc(cccc4C(F)(F)F)c4,0.0
24612,CO-ADD:0284084,7.62,S(=O)(=O)(CCC(=O)N(CC1)CCO1)c2ccc(cc2)F,0.0
24613,CO-ADD:0284594,7.62,C(F)(F)(F)C(NCCCCCC(=O)Nc1cc(C)ccn1)=O,0.0
24614,CO-ADD:0284626,7.62,c1(c2ccco2)cc(n[nH]1)C,0.0
24615,CO-ADD:0279042,7.62,n1c(N)c(C#N)cc(C#N)c1SCC(=O)Nc2ccc(cc2Cl)NC(CSc3c(C#N)cc(c(N)n3)C#N)=O.Cl.Cl,0.0
24616,CO-ADD:0278402,7.62,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c5c4C(OCC)=O)CCCC5)c1Br,0.0
24617,CO-ADD:0279098,7.62,c1(C2c3ccccc3)c(CCN2C(=O)c4cc(c5o4)cccc5)c6c(cccc6)[nH]1,0.0
24618,CO-ADD:0279106,7.62,C(O1)(NC(=O)NC2=O)=C2C(C(C#N)=C1N)c(cc3)ccc3[N+](=O)[O-],0.0
24619,CO-ADD:0250087,7.62,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c(cc(I)cc4I)c4O)n1,0.0
24620,CO-ADD:0253501,7.61,c1(C(=O)c2ccc(cc2)F)oc(c3c1NC(=O)CN(CC4)CCO4)cccc3,0.0
24621,CO-ADD:0253764,7.61,N1(c2ccc(cc2)Cl)C(c3cccs3)N(N=C1C(C)=O)c4ccc(cc4)Cl,0.0
24622,CO-ADD:0256517,7.61,C12=C(C(NC(c3ccc(c(OC)c3)OCc4ccc(cc4Cl)Cl)N1)=O)SC(=S)N2c5ccccc5,0.0
24623,CO-ADD:0255668,7.61,N1c(ccc(c2)C)c2C3C(CC=C3)C1c4ccc(cc4)\N=C\c(cc5)ccc5OC,0.0
24624,CO-ADD:0255612,7.61,c1(NC(C)=O)sc(c2c1C(OCC)=O)\C(\CCC2)=N\OC(C)=O,0.0
24625,CO-ADD:0248267,7.61,c1(c2ccccc2Cl)nnn(CC(=O)N\N=C\c(ccc(c34)OCO3)c4)n1,0.0
24626,CO-ADD:0252470,7.61,S(N)(=O)(=O)c1ccc(cc1)NC(COC(=O)C(CCSC)NC(c2ccccc2)=O)=O,0.0
24627,CO-ADD:0253001,7.61,N1(CC(=O)N2CCCc(cccc3)c23)C(=O)c4c(cccc4)C1=O,0.0
24628,CO-ADD:0247348,7.61,C(=C/c1cc(Br)ccc1OCc2ccccc2)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
24629,CO-ADD:0252755,7.61,c1(C#N)c(cc(nc1N)CC(C)C)c2cccc(Br)c2,0.0
24630,CO-ADD:0248129,7.61,c1(C#N)c(SC)nsc1N\N=C\c2cccc(OC)c2,0.0
24631,CO-ADD:0254519,7.61,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Br)CC(=O)Nc3ccccc3NS(c4ccccc4)(=O)=O,0.0
24632,CO-ADD:0247858,7.61,[N+](=O)([O-])c1ccc(cc1SCCO)N2CCC(CC2)C,0.0
24633,CO-ADD:0253235,7.61,c12c(nnc(SC(CC)C(=O)Nc(cc3)ccc3S(N)(=O)=O)n1)c4c(cccc4)n2C,0.0
24634,CO-ADD:0256728,7.61,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(=O)Nc(cc5)ccc5C(OC)=O)c3)sc6c(ccc(OCC)c6)n1,0.0
24635,CO-ADD:0250554,7.61,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\NC(=O)CC3(C)OCCCO3)o2)Cl)c1,0.0
24636,CO-ADD:0250594,7.61,N1(c2ccc(c(Cl)c2)F)C(c3ccc(cc3)OC)Nc(c4C1=O)cccc4,0.0
24637,CO-ADD:0256073,7.61,c1(Nc(cc2)ccc2OC)nc(N\N=C\c3ccccc3F)nc(NCc4ccco4)n1.Cl,0.0
24638,CO-ADD:0256050,7.61,c1(N(CC2)CCO2)nc(N\N=C\c3cc(Br)cc(Br)c3OCc4ccc(cc4Cl)Cl)nc(Nc5cc(C)ccc5C)n1.Cl,0.0
24639,CO-ADD:0250166,7.61,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)OC)CC(=O)N\N=C\c3cccs3,0.0
24640,CO-ADD:0250230,7.61,N(=C(/C)\c1ccc(cc1)OCC)/NC(CSCc(cc(C)cc2C)c2)=O,0.0
24641,CO-ADD:0254045,7.61,N1(CC)C(=O)\C(\SC1=S)=C/c2ccccc2Sc(cc3)ccc3Cl,0.0
24642,CO-ADD:0257024,7.61,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
24643,CO-ADD:0256802,7.61,c1(c2cccc(cccc3)c23)[nH]c(c(c(cc4)ccc4C(c5ccccc5)=O)n1)c6ccccc6,0.0
24644,CO-ADD:0256938,7.61,c1(ccccc1NC(=O)c(cc(OC(C)=O)cc2C(=O)Nc3ccccc3C(OC)=O)c2)C(OC)=O,0.0
24645,CO-ADD:0247441,7.61,P(c1ccccc1)(c2ccccc2)(c3ccccc3)=Nc4ccccc4OC,0.0
24646,CO-ADD:0249506,7.61,N1(c2ccc(cc2)I)C(=O)\C(\C=C1c3ccccc3)=C\c(cc4)ccc4Cl,0.0
24647,CO-ADD:0249749,7.61,c1(cc(c2o1)cccc2)C(=O)Nc(cccc3C(OC)=O)c3,0.0
24648,CO-ADD:0249718,7.61,C(=O)(N\N=C/c(cc1)ccc1OC(=O)\C=C\c(cc2)ccc2OC)c3ccc(cc3)F,0.0
24649,CO-ADD:0249261,7.61,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
24650,CO-ADD:0249241,7.61,N1\C(=N/N=C(\C)/c2ccccc2)\SC(C)C1=O,0.0
24651,CO-ADD:0283317,7.61,n1(c2C)c(ncc2C(OCC)=O)c(c(C)n1)C#N,0.0
24652,CO-ADD:0279140,7.61,s1c(c2ccc(cc2)F)nnc1NC(CSCc3ccccc3)=O,0.0
24653,CO-ADD:0283955,7.61,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(ccc3c4Cc(c35)cccc5)c4,0.0
24654,CO-ADD:0283942,7.61,c1(SCC(=O)Nc2ccccc2C(F)(F)F)sc3c(ccc(c3)NC(CC)=O)n1,0.0
24655,CO-ADD:0284792,7.61,N1(c2ccccc2CC)C(=O)C(C3C1=O)C(C(C4C(N5c6ccccc6CC)=O)C5=O)C(=C(C(OCC)=O)C34C)C,0.0
24656,CO-ADD:0284912,7.61,c1(oc(c2n1)cccc2)Sc(c(cccc3)c3c(n4)c5ccccc5)n4,0.0
24657,CO-ADD:0278900,7.61,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C/c(ccc3c(cccc4C(F)(F)F)c4)o3)\C1=O)C,0.0
24658,CO-ADD:0279092,7.61,n1c(c(cc2)ccc2C3CCCCC3)csc1Nc(cc4)ccc4C,0.0
24659,CO-ADD:0278424,7.61,C1(C#N)=C(SCC)NC(=O)CC1c2ccccc2OC,0.0
24660,CO-ADD:0279044,7.61,C(=C)(S(=O)(=O)c1ccc(cc1)Cl)C(=C)S(=O)(=O)c2ccc(cc2)Cl,0.0
24661,CO-ADD:0278684,7.61,c(C(=O)NC=N1)(c1[nH]c2N(CC3)CCN3C(c4ccccc4)=O)n2,0.0
24662,CO-ADD:0278422,7.61,c(C(c1ccccc1)=O)(sc(c2c3C)nc(c3C(=O)Nc4ccccc4)C)c2N,0.0
24663,CO-ADD:0255856,7.61,s1c(c2ccccc2)nnc1NC(=O)C34CC(CC5C3)CC(C5)C4,0.0
24664,CO-ADD:0250370,7.61,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4)ccc4OCC(OCC)=O)\C1=O,0.0
24665,CO-ADD:0255977,7.61,c1(O)c(OC)cc(cc1I)\C=N\NC(=O)c2cccc(F)c2,0.0
24666,CO-ADD:0256761,7.61,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c4ccccc4Cl)\C1=O,0.0
24667,CO-ADD:0253685,7.61,c1(cc(Cl)ccc1N(CC2)CCN2C(=O)c3cc(F)c(cc3Cl)F)[N+](=O)[O-],0.0
24668,CO-ADD:0256598,7.61,S(N)(=O)(=O)c1ccc(cc1)NC(=O)C(CC)OC(=O)\C=C\c2ccco2,0.0
24669,CO-ADD:0249569,7.61,C(=O)(NC1CC1)C(=O)NCC2CCCO2,0.0
24670,CO-ADD:0249123,7.6,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc5ccccc5)c3,0.0
24671,CO-ADD:0249688,7.6,S1(=O)(=O)c(cccc2)c2C(N(C)c3ccc(cc3)OC(=O)c4ccc(cc4)C)=N1,0.0
24672,CO-ADD:0252652,7.6,c12c(oc(C)n1)nc(C)nc2NC(CC(C)C)C(O)=O,0.0
24673,CO-ADD:0249407,7.6,c1(c2ccco2)nc(n3c1\N=C\c4cccc(O)c4)cccc3,0.0
24674,CO-ADD:0249379,7.6,c1(ccc(C(=O)Nc(ccc(c2C)C)c2)o1)[N+](=O)[O-],0.0
24675,CO-ADD:0250587,7.6,s1c(N)nnc1SCC(=O)Nc(cc2)ccc2C(C)C,0.0
24676,CO-ADD:0250194,7.6,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
24677,CO-ADD:0256722,7.6,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(=O)Nc3cccc(Br)c3)[N+](=O)[O-],0.0
24678,CO-ADD:0253207,7.6,c12n(ncn1N)c(nn2)SCC(=O)Nc(cc3)ccc3C(OC)=O,0.0
24679,CO-ADD:0253755,7.6,c1(c(C)non1)N(Cc(cccc2[N+](=O)[O-])c2)N=Nc3c(C)non3,0.0
24680,CO-ADD:0253655,7.6,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cc(c(C)s3)Br,0.0
24681,CO-ADD:0255961,7.6,c1(cccc(C)c1O)C(=O)OCC(=O)c2ccc(cc2)Cl,0.0
24682,CO-ADD:0255955,7.6,n1(c2c(nn1)cccc2)C(=O)c(cc3)ccc3C(C)(C)C,0.0
24683,CO-ADD:0253309,7.6,C(CSCc(cc1)ccc1OC)(=O)N\N=C\c2cccc(OC)c2OC,0.0
24684,CO-ADD:0250089,7.6,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
24685,CO-ADD:0253519,7.6,c(\C=N\NC(CSc1ncccn1)=O)(cc(Cl)cc2Cl)c2O,0.0
24686,CO-ADD:0250284,7.6,n1c(c(ccc(c2Br)OC)c2)csc1Nc(cc3)ccc3Oc4ccccc4.Br,0.0
24687,CO-ADD:0249242,7.6,N1(c(ccc(c2C(O)=O)Cl)c2)C(=O)C(C(C(c(c34)cccc3)c5c6cccc5)C1=O)C46,0.0
24688,CO-ADD:0249415,7.6,c1(\N=C\c2c[nH]nc2c3ccccc3)c(c4ccc(c(OC)c4)O)nc(cccc5)n15,0.0
24689,CO-ADD:0249305,7.6,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)N2CCCc(cccc3)c23)c1,0.0
24690,CO-ADD:0249264,7.6,c1(N\N=C\c(ccc(c2O)O)c2)sc(c3n1)cccc3,0.0
24691,CO-ADD:0254713,7.6,c1(SCC)nc(c2n1Cc(cccc3[N+](=O)[O-])c3)cccc2,0.0
24692,CO-ADD:0254978,7.6,N(C(CSc(cc1)ccc1Cl)=O)C(C(C)C)C(C)C,0.0
24693,CO-ADD:0219188,7.6,c(CO)(cc(Br)cc1Br)c1O,0.0
24694,CO-ADD:0222572,7.6,c1(c2ccc(cc2)Cl)nc(sc1c(cc3)ccc3[N+](=O)[O-])\N=C\c4c(O)ccc(cccc5)c45,0.0
24695,CO-ADD:0221956,7.6,N1(c2ccc(c(C)c2)C)C(=O)c3c(c4C1=O)c(c(CC5)cc3)c5cc4,0.0
24696,CO-ADD:0226365,7.6,C1(=N2)N(C=CC(N3CCCCCC3)=N1)C(N2CC(=O)Nc4cccc(C)c4C)=O,0.0
24697,CO-ADD:0226238,7.6,S(=O)(=O)(N(Cc(cc1F)cc(c1)F)c2ccc(c3c2)OCO3)c(ccc(n4c5)nn5)c4,0.0
24698,CO-ADD:0225837,7.59,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)Nc4c(C)cccc4C)=O,0.0
24699,CO-ADD:0226229,7.59,S(=O)(=O)(N(Cc1cccc(Cl)c1)c2ccc(cc2)OC)c(ccc3n4c(C)nn3)c4,0.0
24700,CO-ADD:0221355,7.59,N1(CC(OC)=O)C(=O)C(CC)(CC)C(N(C)C1=O)=S,0.0
24701,CO-ADD:0218997,7.59,c1(C(=O)N\N=C/c2ccccc2O)c(O)cc(c3c1)cccc3,0.0
24702,CO-ADD:0221590,7.59,N(OC(N1c2cccc(cccc3)c23)=O)(C4C(C)(C)SC(=S)N4CCCC)C1=O,0.0
24703,CO-ADD:0221547,7.59,N1(CCCOC)C(=O)c(c2)c(c(c3)C1=O)c(cc2[N+](=O)[O-])cc3[N+](=O)[O-],0.0
24704,CO-ADD:0221252,7.59,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCN3C\C=C\c4ccccc4)C1=O,0.0
24705,CO-ADD:0221074,7.59,C(=N\NC(COc1ccc(cc1OC)Br)=O)(/c2c(N3)cccc2)\C3=O,0.0
24706,CO-ADD:0221935,7.59,N1(Nc2cccc(C)c2)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
24707,CO-ADD:0222482,7.59,N1\C(=N\N=C\c(cc2)ccc2Cl)\S\C(=C/c(cc(Br)c(c3Br)O)c3O)\C1=O,0.0
24708,CO-ADD:0222255,7.59,C(=C/c1ccccc1)(/C(=O)NN2c3ccc(cc3)C)\C2=O,0.0
24709,CO-ADD:0222607,7.59,c1(ccccc1OCCC)C(NCCCC(=O)[O-])=O.[Na+],0.0
24710,CO-ADD:0225789,7.59,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4ccccc4F)=O,0.0
24711,CO-ADD:0226965,7.59,c12n(c(nn1)SCC(=O)Nc3c(C)ccc(Cl)c3)c(c4C(=O)N2CC5CCCO5)ccs4,0.0
24712,CO-ADD:0225381,7.59,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc(cc5)ccc5C(OCC)=O,0.0
24713,CO-ADD:0226362,7.59,C1(=N2)N(C=CC(N(CC3)CCO3)=N1)C(N2CC(=O)Nc(ccc(c4Cl)OC)c4)=O,0.0
24714,CO-ADD:0225242,7.59,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc4ccccc4C)C2=O,0.0
24715,CO-ADD:0226315,7.59,N1(C2=O)C(C=C(N=C1Nc(cc3)ccc3F)C)=NN2CC(=O)Nc4c(C)ccc(F)c4,0.0
24716,CO-ADD:0225853,7.59,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)N(CC4)CCN4c5ccc(cc5)F)=O,0.0
24717,CO-ADD:0226269,7.59,S(=O)(=O)(N(Cc1cccc(OC)c1)c2ccc(cc2)F)c(ccc3n4c(C)nn3)c4,0.0
24718,CO-ADD:0221472,7.59,S(=O)(=O)(c1cccc2c1cccc2S(=O)(=O)Nc3ccccc3Cl)Nc4ccccc4Cl,0.0
24719,CO-ADD:0221120,7.59,N1C(=O)\C(\SC1=S)=C/c2ccccc2Cl,0.0
24720,CO-ADD:0222103,7.59,C(=O)(c1cccc(c1)OCc2cccc(Cl)c2)Nc(cc3)ccc3Cl,0.0
24721,CO-ADD:0220935,7.59,C(=N/NC(=O)c1cccc(O)c1)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
24722,CO-ADD:0221900,7.59,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc(cc2)ccc2OC,0.0
24723,CO-ADD:0222543,7.59,N(=C\c1cccc(OC)c1O)/c2c(C)cccc2O,0.0
24724,CO-ADD:0222501,7.59,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C\c2cccc(C)c2O,0.0
24725,CO-ADD:0221150,7.59,S1(=O)(=O)c2c(C(N3CCCCC3)=N1)ccc(c2)[N+](=O)[O-],0.0
24726,CO-ADD:0222547,7.59,N(=C\c(cc(Cl)cc1Cl)c1O)/c2c(C)cccc2O,0.0
24727,CO-ADD:0222551,7.59,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
24728,CO-ADD:0225413,7.59,C1(=N2)N(C=Cn(nc(c3ccc(cc3)F)c4)c14)C(N2CC(=O)Nc(ccc(c56)OCCO5)c6)=O,0.0
24729,CO-ADD:0226131,7.59,S(=O)(=O)(N(Cc1cccc(F)c1)c2cccc(Cl)c2)c3cccn(cnn4)c34,0.0
24730,CO-ADD:0225187,7.59,N12C(C=CC(C(=O)NCc3ccccc3)=C1)=NN(CC(=O)Nc4ccc(cc4Br)C)C2=O,0.0
24731,CO-ADD:0221059,7.59,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2cccc(Cl)c2,0.0
24732,CO-ADD:0218994,7.59,c1(C(=O)N\N=C\c(c2c([nH]3)cccc2)c3)c(O)cc(c4c1)cccc4,0.0
24733,CO-ADD:0221529,7.59,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2S(=O)(=O)N(C)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])N(C)c4ccc(cc4[N+](=O)[O-])[N+](=O)[O-],0.0
24734,CO-ADD:0221241,7.59,N1(CN(CC2)CCN2Cc3ccccc3)c(cccc4)c4\C(=N/c(cc5)ccc5C)\C1=O,0.0
24735,CO-ADD:0222681,7.58,C1(=Cc2c(OC1=O)cccc2)C(=O)N(CC3)CCO3,0.0
24736,CO-ADD:0220215,7.58,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c2ccccc2,0.0
24737,CO-ADD:0220952,7.58,C(=N/NC(=O)c1ccccc1O)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
24738,CO-ADD:0226192,7.58,N12C(C=C(C)N=C1c(cc3)ccc3C(F)(F)F)=NN(CC(=O)NC(C)C)C2=O,0.0
24739,CO-ADD:0225440,7.58,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(ccc(c5Cl)C)c5)=O,0.0
24740,CO-ADD:0225737,7.58,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc(ccc(c45)OCCO4)c5)=O,0.0
24741,CO-ADD:0226256,7.58,S(=O)(=O)(N(Cc(cc1)ccc1C=C)c2cccc(F)c2)c(ccc3n4c(C)nn3)c4,0.0
24742,CO-ADD:0225872,7.58,C1(=N2)N(C=CN=C1SCc3ccccc3)C(N2CC(=O)Nc4cccc(Cl)c4C)=O,0.0
24743,CO-ADD:0226279,7.58,S(=O)(=O)(N(Cc1cccc(OC)c1)c2ccc(c(F)c2)F)c(ccc(n3c4)nn4)c3,0.0
24744,CO-ADD:0226375,7.58,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(=O)NCC4CCCO4)=O,0.0
24745,CO-ADD:0221077,7.58,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(COc3ccc(cc3OC)Br)=O)o2,0.0
24746,CO-ADD:0221280,7.58,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CSc(cc3)ccc3C,0.0
24747,CO-ADD:0221599,7.58,c12n(c3c(cc(cc3)C)s1)cc(c4ccccc4)n2,0.0
24748,CO-ADD:0221657,7.58,n1c(N2CCCC2)nc(nc1N(CC3)CCO3)N\N=C\c(cc(Br)cc4Br)c4OC,0.0
24749,CO-ADD:0222730,7.58,N1(CCc(cccc2)c12)C(=O)C(c3ccccc3)c4ccccc4,0.0
24750,CO-ADD:0222238,7.58,c1(\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)cc(Cl)ccc1O,0.0
24751,CO-ADD:0220362,7.58,c1(\C=N\NC(CNc2ccccc2C)=O)cc(Br)ccc1O,0.0
24752,CO-ADD:0221836,7.58,C(C#N)(C(C)=CC(N1)=O)=C1SCC(=O)Nc(cc2)ccc2Br,0.0
24753,CO-ADD:0226171,7.58,S(=O)(=O)(N(Cc(cc1)ccc1Cl)c2ccc(cc2)CC)c3cccn(c(nn4)C)c34,0.0
24754,CO-ADD:0225880,7.58,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc(cc4)ccc4OC)C2=O,0.0
24755,CO-ADD:0221454,7.58,[N+](=O)([O-])c(cc1)ccc1c(cc2)ccc2NC(=O)c3ccccc3Cl,0.0
24756,CO-ADD:0221039,7.58,c(c(Br)c1Br)c(NCC(=O)N\N=C\c(cc2)ccc2OC)c(c1)Br,0.0
24757,CO-ADD:0221686,7.58,C(CCCCCCCCCCC(=O)Nc(cc1)ccc1CC)(=O)Nc(cc2)ccc2CC,0.0
24758,CO-ADD:0222834,7.58,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc(cc2)ccc2NC(C)=O,0.0
24759,CO-ADD:0222323,7.58,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3Cl)Cl)c3)nc(Nc4cccc(Br)c4)n1,0.0
24760,CO-ADD:0220365,7.58,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(CNc3cccc(C)c3)=O,0.0
24761,CO-ADD:0226972,7.58,N(C1=O)(c(ccs2)c2C(N3CC(C)C)=O)C3=NN1CC(=O)N4CCC(CC4)Cc5ccccc5,0.0
24762,CO-ADD:0225888,7.58,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc(ccc(c4Cl)F)c4)C2=O,0.0
24763,CO-ADD:0225184,7.58,N12C(C=CC(C(=O)NCc3ccccc3)=C1)=NN(CC(=O)Nc(cc4OC)cc(c4OC)OC)C2=O,0.0
24764,CO-ADD:0219402,7.58,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(=O)Nc2ccccn2,0.0
24765,CO-ADD:0221531,7.58,N1(c2ccccc2O)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
24766,CO-ADD:0220278,7.58,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(CNc(cc3)ccc3C)=O)o2,0.0
24767,CO-ADD:0221621,7.58,N1(\N=C\c(cc2)ccc2OCC)C(C)=Nc(c3C1=O)cccc3,0.0
24768,CO-ADD:0218990,7.58,[N+](=O)([O-])c(cccc1C(=O)N\N=C/c(cccn2)c2)c1,0.0
24769,CO-ADD:0222027,7.58,N(=C(/C)\c1ccc(c2c1)CCCC2)/NC(CNc3cccc(cccc4)c34)=O,0.0
24770,CO-ADD:0222852,7.58,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)N(CC2)CCN2C,0.0
24771,CO-ADD:0225795,7.58,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc(ccc(c4Cl)F)c4)=O,0.0
24772,CO-ADD:0226955,7.58,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cc4)ccc4C#N)c(nn1)C(C)C,0.0
24773,CO-ADD:0225211,7.58,N1(c(cccc2)c2C(N3CCC(=O)NC4CCCCC4)=O)C3=NN(CC(=O)NC(C)CC)C1=O,0.0
24774,CO-ADD:0226363,7.58,C1(=N2)N(C=CC(N(CC3)CCO3)=N1)C(N2CC(=O)Nc(ccc(c4F)OC)c4)=O,0.0
24775,CO-ADD:0221643,7.58,c1(NC(NCCCCCCCCCCNC(=O)Nc2n(C)c3c(cccc3)n2)=O)n(C)c4c(cccc4)n1,0.0
24776,CO-ADD:0221405,7.58,C(=O)(c1cccc(F)c1)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3OC,0.0
24777,CO-ADD:0221567,7.57,c1(ccccc1NC(C)=O)C(=O)N\N=C\c2cccc(CC=C)c2O,0.0
24778,CO-ADD:0221275,7.57,C(CC1C)(CC(C1=O)C)C2CC(CC23)CC3,0.0
24779,CO-ADD:0220393,7.57,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
24780,CO-ADD:0219181,7.57,C(COC)(=O)N\N=C\c(cc1)ccc1F,0.0
24781,CO-ADD:0220669,7.57,c1(N(CC2)CCO2)nc(N\N=C\c3cc(Cl)ccc3O)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
24782,CO-ADD:0225767,7.57,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc(cc4)ccc4C(OCC)=O)=O,0.0
24783,CO-ADD:0225897,7.57,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)Nc(cc4)ccc4C)C2=O,0.0
24784,CO-ADD:0225842,7.57,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)Nc(cc4)ccc4Br)=O,0.0
24785,CO-ADD:0221577,7.57,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)S\C(\NCC)=N\CC,0.0
24786,CO-ADD:0222157,7.57,c1(c(O)c(\C=N\c(ccc2c3oc(n2)c(cc4)ccc4C(C)(C)C)c3)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
24787,CO-ADD:0221427,7.57,C(/CCC1)(=N/c2ccc(cc2C#N)C)\N1c3ccccc3,0.0
24788,CO-ADD:0222342,7.57,n1c2c(oc1c3ccccc3)ccc(c2)\N=C\c4cccc(I)c4O,0.0
24789,CO-ADD:0226935,7.57,C1(=N2)N(c3c(cccc3)N=C1Sc4cccc(OC)c4)C(N2CC(=O)Nc(cccc5C#N)c5)=O,0.0
24790,CO-ADD:0226121,7.57,S(=O)(=O)(N(c(cc1)ccc1C(C)C)Cc2ccccc2F)c3cccn(cnn4)c34,0.0
24791,CO-ADD:0226374,7.57,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(=O)NCc4ccc(cc4Cl)F)=O,0.0
24792,CO-ADD:0225882,7.57,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc(cc4)ccc4OCC)C2=O,0.0
24793,CO-ADD:0222102,7.57,S(c1ccccc1)(=O)(=O)NCc2cccc(cccc3)c23,0.0
24794,CO-ADD:0222091,7.57,C(=O)(C(NCCc1ccccc1)=O)Nc2cccc(Cl)c2Cl,0.0
24795,CO-ADD:0225375,7.57,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc5cccc(C)c5C,0.0
24796,CO-ADD:0226178,7.57,S(=O)(=O)(N(Cc1cccc(F)c1)c(cc2)ccc2C(C)C)c3cccn(c(nn4)C)c34,0.0
24797,CO-ADD:0222586,7.57,S(=O)(=O)(c1ccc(cc1)OC)NC(=O)NCc(cc2)ccc2OCCCC,0.0
24798,CO-ADD:0220089,7.57,N1(CNc(cc2)ccc2C(OCC)=O)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
24799,CO-ADD:0226129,7.57,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(c(F)c2)F)c3cccn(cnn4)c34,0.0
24800,CO-ADD:0226923,7.57,n(c1c(cccc1)nc2SCC(=O)N(CC3)CCN3c4ccccc4F)(c(C(C)C)nn5)c25,0.0
24801,CO-ADD:0220936,7.57,N1\C(=N/N=C/c(cc2)ccc2N(C)C)\S\C(=C\c(cc(I)cc3I)c3OC)\C1=O,0.0
24802,CO-ADD:0221797,7.57,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C(\C2)/c3c(C2)cccc3,0.0
24803,CO-ADD:0222211,7.57,n1c2c(oc1c3cccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)cc(C)c(C)c2,0.0
24804,CO-ADD:0221527,7.57,[N+](=O)([O-])c1ccccc1COC(=O)c(cc2)ccc2C(=O)OCc3ccccc3[N+](=O)[O-],0.0
24805,CO-ADD:0220686,7.57,c1(N(CC2)CCO2)nc(N\N=C\c3c4c([nH]c3C)cccc4)nc(Nc(cc5)ccc5C)n1,0.0
24806,CO-ADD:0220659,7.57,c1(\C=N\NC(COc2ccccc2OC)=O)c(Br)cc(c(O)c1Br)Br,0.0
24807,CO-ADD:0225396,7.57,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)NCc(cc5)ccc5Cl,0.0
24808,CO-ADD:0221079,7.57,c(\C=N\NC(COc1ccc(cc1OC)Br)=O)(cc(Cl)cc2Br)c2O,0.0
24809,CO-ADD:0221433,7.57,n1(c2cc(C)ccc2OC(=O)c(c(Cl)ccc3S(=O)(=O)N4CCCCC4)c3)nc5c(cccc5)n1,0.0
24810,CO-ADD:0221516,7.57,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
24811,CO-ADD:0221335,7.57,c1(ccc(cc1NCCC(O)=O)C(O)=O)C(O)=O,0.0
24812,CO-ADD:0222076,7.56,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc(cc3)ccc3I,0.0
24813,CO-ADD:0220424,7.56,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O,0.0
24814,CO-ADD:0222055,7.56,C1(C(=O)OC2CCCC2)=C(C)NC(NC1c3cc4c(cc3Br)OCO4)=O,0.0
24815,CO-ADD:0221103,7.56,c(C(OCC)=O)(sc(c12)nc(cc1c3ccccc3)c4ccccc4)c2N,0.0
24816,CO-ADD:0221467,7.56,N1(CNc(ccc(c2[N+](=O)[O-])C)c2)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
24817,CO-ADD:0220972,7.56,C(=N/NC(=O)c1ccc(cc1)C)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
24818,CO-ADD:0219068,7.56,C(=O)(C(C)Cc1cccc(OC)c1)Nc2ccccc2C,0.0
24819,CO-ADD:0221290,7.56,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CSc2ccc(c3n2)cccc3)=O,0.0
24820,CO-ADD:0221332,7.56,c12c(c(nn1c3ccccc3)C)cc(C(=O)N\N=C\c(cc4)ccc4[N+](=O)[O-])s2,0.0
24821,CO-ADD:0221444,7.56,c12c(sc(NCC=C)n1)c(nc(N)n2)N,0.0
24822,CO-ADD:0221104,7.56,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)c3ccc(cc3)Cl)c4ccccc4,0.0
24823,CO-ADD:0219180,7.56,C(CSCC(=O)Nc(cc1)ccc1OCCCC)(=O)Nc2ccccc2,0.0
24824,CO-ADD:0221744,7.56,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C(/C)\C=C\c1ccccc1,0.0
24825,CO-ADD:0221601,7.56,c12n(c(c3s1)ccc(c3)C(OC)=O)cc(c4ccc(cc4)Br)n2,0.0
24826,CO-ADD:0221663,7.56,C(/C(c1ccccc1)=O)=C/c2cccc(c23)OCO3,0.0
24827,CO-ADD:0221677,7.56,C(OCC(CCCC)CC)(=O)Nc(cc1)ccc1I,0.0
24828,CO-ADD:0221357,7.56,S(=O)(=O)(c1ccc(cc1)C)CCN(CC2)CCC2(c3ccccc3)C(OCC)=O.Cl,0.0
24829,CO-ADD:0219260,7.56,c1(cc(Cl)cc(Cl)c1OCC(=O)N\N=C\c2cccc(Cl)c2)[N+](=O)[O-],0.0
24830,CO-ADD:0219236,7.56,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\c3cccc(Br)c3,0.0
24831,CO-ADD:0220564,7.56,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2cc(O)ccc2[N+](=O)[O-],0.0
24832,CO-ADD:0219185,7.56,c1(ccc(o1)C#Cc2ccccc2)C(OC)=O,0.0
24833,CO-ADD:0221463,7.56,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc(cc2)ccc2OC,0.0
24834,CO-ADD:0221499,7.56,C12c(cccc3)c3C(C(C(O)=O)C1C(=O)N(CC)CC)c(cccc4)c24.Cl.Cl,0.0
24835,CO-ADD:0222063,7.56,n1(CC)c(ccc(c2)C3CCCCC3)c2c(CCCCC4=O)c14,0.0
24836,CO-ADD:0221963,7.56,N(\C(=C\c(cc1)ccc1c2ccccc2)\C(O3)=O)=C3c4ccccc4,0.0
24837,CO-ADD:0218975,7.56,C(C(c1ccc(cc1)Cl)Nc2cccc(Cl)c2)C(=O)c3ccc(cc3)Br,0.0
24838,CO-ADD:0219385,7.56,C(=O)(Nc(cc1)ccc1I)C\C(\C)=N\NC(CCCC)=O,0.0
24839,CO-ADD:0222481,7.56,C(=C\c(ccc1c2c(Cl)ccc(c2)[N+](=O)[O-])o1)(/C(=O)c3c4cccc3)\C4=O,0.0
24840,CO-ADD:0222366,7.56,n1c2c(oc1c3ccc(cc3)OC)ccc(c2)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
24841,CO-ADD:0221258,7.56,c12c(c(nn1c3ccccc3)C)cc(C(=O)NCc4ccccc4)s2,0.0
24842,CO-ADD:0219435,7.56,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)C(=O)NCc2ccc(cc2Cl)Cl,0.0
24843,CO-ADD:0225244,7.56,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc4ccc(cc4OC)OC)C2=O,0.0
24844,CO-ADD:0221680,7.56,N1(CN(C)c2ccc(cc2)OC)C(=O)\C(\SC1=O)=C/c(ccc(c34)OCO3)c4,0.0
24845,CO-ADD:0230798,7.56,N(/c(cc1)ccc1OC)=C\c(ccc(c2CC=C)OCc(cc3)ccc3Br)c2,0.0
24846,CO-ADD:0230789,7.56,c1(ccc(cc1O)OCC=C)\C=N\c(ccc(c2Cl)C)c2,0.0
24847,CO-ADD:0230755,7.55,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I)N3CCCCC3,0.0
24848,CO-ADD:0232012,7.55,c(\C=N\c(ccc(c1Cl)F)c1)(c(C)c2Cl)c(O)c(c2C)Br,0.0
24849,CO-ADD:0231992,7.55,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2ccccc2F)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
24850,CO-ADD:0232679,7.55,C1(C(=O)OC2CCCC(C)C2)=C(C)NC(NC1c3ccccc3OCC)=O,0.0
24851,CO-ADD:0232086,7.55,c1(c(O)c(\C=N\NC(COc(cc2)ccc2C)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
24852,CO-ADD:0230424,7.55,C(F)(F)(C([H])(F)F)OC(=O)c(cc1)ccc1N(CC2)CCN2C(=O)c3ccc(cc3)OC(F)(F)C([H])(F)F,0.0
24853,CO-ADD:0223672,7.55,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)C(C)Oc2cccc(cccc3)c23,0.0
24854,CO-ADD:0230193,7.55,N1(\N=C\c2ccc(cc2Cl)Cl)C(=O)c3c(cccc3)C1=O,0.0
24855,CO-ADD:0223691,7.55,c1(ccccc1OCc2cccc(Br)c2)C(=O)N\N=C\c3cccc(OC)c3OC,0.0
24856,CO-ADD:0223555,7.55,S(=O)(=O)(N1CCCCC1)c2c(C)ccc(c2)C(=O)Oc3cccc(cccn4)c34,0.0
24857,CO-ADD:0228355,7.55,C(=C\NCCCN(CC1)CCO1)(/C(=O)C2)\C(=O)CC2(C)C,0.0
24858,CO-ADD:0223283,7.55,N1(NC(=O)c2ccccc2[N+](=O)[O-])C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
24859,CO-ADD:0223281,7.55,c1(N)c(Cl)cc(cc1Cl)\N=C\c2ccc(cc2Cl)Cl,0.0
24860,CO-ADD:0232163,7.55,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccco2)=O)c3cccc(Br)c3,0.0
24861,CO-ADD:0232182,7.55,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(=O)C(O)c3ccccc3,0.0
24862,CO-ADD:0235843,7.55,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cccc2C(OCCCC)=O)c2,0.0
24863,CO-ADD:0223353,7.55,c1(SCC(=O)N\N=C\c2ccccc2I)oc(c3n1)cccc3,0.0
24864,CO-ADD:0222988,7.55,N1(c2ccc(cc2)Br)C(=O)C(C(C1=O)C34\C=N\NC(=O)C(=O)Nc(cc5)ccc5CC)C(c(c36)cccc6)c(c47)cccc7,0.0
24865,CO-ADD:0222938,7.55,C(=O)(c1ccc(cc1)Cl)Oc(cc2)ccc2C(C)=O,0.0
24866,CO-ADD:0235160,7.55,C(=N\N\C(\c1ccccn1)=N/c2ccccc2)(/c(cc(C)cc3Br)c3N4C)\C4=O,0.0
24867,CO-ADD:0235451,7.55,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c(ccc(c3Cl)Cl)c3)c4nonc4N,0.0
24868,CO-ADD:0232633,7.55,c1(cc(ccc1Cl)SC)C(=O)O\N=C(\C2)/c3c(C2)cc(OC)cc3,0.0
24869,CO-ADD:0231975,7.55,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(c(C)c(Br)c(c4Br)O)c4O,0.0
24870,CO-ADD:0232471,7.55,c1(c(O)c(\C=N\c(ccc(c2C)C)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
24871,CO-ADD:0228162,7.55,c1(NCC(=O)N\N=C(/CCC)\CC)c(Br)cc(cc1Br)Br,0.0
24872,CO-ADD:0235508,7.55,c1(C(OCC)=O)c(CN(CC2)CCN2c3ccccc3)oc(cc(Br)c(OC(C)=O)c4)c14,0.0
24873,CO-ADD:0223568,7.55,S(=O)(=O)(c1ccc(cc1)NC(C)=O)NC(NC(COc2ccc(cc2Cl)Cl)=O)C(Cl)(Cl)Cl,0.0
24874,CO-ADD:0228412,7.55,N1(C(c2ccccc2)CC(c3ccccc3)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N(CC)CC)n4.Br,0.0
24875,CO-ADD:0232559,7.55,S(=O)(=O)(c1ccc(c(c1)\N=C\c2c(O)ccc(cccc3)c23)Cl)Nc(cc(cc4C(OC)=O)C(OC)=O)c4,0.0
24876,CO-ADD:0232575,7.55,C1(\N=C\c2cc(ccc2N3CCCC3)[N+](=O)[O-])=C(C)N(N(c4ccccc4)C1=O)C,0.0
24877,CO-ADD:0235814,7.55,C(C(=O)NCc1ccccc1)(=C(C)NC(=C2C(=O)NCc3ccccc3)C)C2c(cccc4[N+](=O)[O-])c4,0.0
24878,CO-ADD:0222885,7.55,c1(\N=C\c(cc2)ccc2[N+](=O)[O-])sc(c(C)c1C(OCC)=O)C,0.0
24879,CO-ADD:0232579,7.55,S1(=O)(=O)c(cccc2)c2C(N\N=C\c3cccc(OC)c3O)=N1,0.0
24880,CO-ADD:0232574,7.55,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)Nc(cccc2C(C)O)c2,0.0
24881,CO-ADD:0232657,7.55,c1(ccccc1O)C(=O)N\N=C\c2ccccc2O,0.0
24882,CO-ADD:0235336,7.55,c(non1)(nc(Nc2ccccc2)c(n3)Nc(cc4)ccc4O)c13,0.0
24883,CO-ADD:0222980,7.55,S(NCCOCc1ccccc1)(c2ccccc2)(=O)=O,0.0
24884,CO-ADD:0232388,7.54,P(c1ccccc1)(c2ccccc2)(c3ccccc3)=NC(C)=O,0.0
24885,CO-ADD:0232726,7.54,c1(C(OCC)=O)sc2c(ccc(Br)c2OCC)c1NC(C)=O,0.0
24886,CO-ADD:0231862,7.54,c1(ccccc1OC)C(=O)N\N=C\c(ccc(c2OC(=O)c3ccc(cc3)Br)OC(=O)c4ccc(cc4)Br)c2,0.0
24887,CO-ADD:0230556,7.54,C(=O)(c1ccc(cc1)Cl)Nc(cc2)ccc2CC,0.0
24888,CO-ADD:0230529,7.54,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I)(=S)Nc3cccc(Br)c3,0.0
24889,CO-ADD:0223519,7.54,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/NNc(cc3)ccc3Cl,0.0
24890,CO-ADD:0223785,7.54,c(C(C)(C)C)(cc(C(CC)=O)cc1C(C)(C)C)c1O,0.0
24891,CO-ADD:0230805,7.54,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C\c(ccc(c3OC)O)c3)\C1=O)=O,0.0
24892,CO-ADD:0229993,7.54,n1(C2OC(C(O)C2O)CO)c(N(C)\N=C\c(cc3OC)cc(c3OC)OC)nc(C(NC=N4)=O)c14,0.0
24893,CO-ADD:0228075,7.54,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(=O)Cc3ccc(c(cccc4)c34)Br,0.0
24894,CO-ADD:0228953,7.54,N(/c1ccccc1C)=C(/C2)\c3c(CC2)cccc3,0.0
24895,CO-ADD:0228745,7.54,[nH]1c(cccc2)c2c3c1cccc3,0.0
24896,CO-ADD:0230418,7.54,c1(cccs1)C(c2ccccc2)=O,0.0
24897,CO-ADD:0230563,7.54,C(=N/OC(c1ccccc1)=O)(/c2c3cccc2)\c4c3cccc4,0.0
24898,CO-ADD:0232035,7.54,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c4cc(Br)ccc4O,0.0
24899,CO-ADD:0223487,7.54,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc3c(C)ccc(c3)N\C=C(\C(C)=NN4c5ccc(c(C)c5)C)/C4=O,0.0
24900,CO-ADD:0228189,7.54,[N+](=O)([O-])c(cc1)ccc1C(=O)N(CC2)CCN2CCO.Cl,0.0
24901,CO-ADD:0228127,7.54,N(\C(=C/c(cc1)ccc1C(C)C)\C(O2)=O)=C2c3ccc(cc3)C,0.0
24902,CO-ADD:0230197,7.54,C(=O)(N\N=C\c1cccc(I)c1)c2ccc(cc2)OCCCCCCCCCC,0.0
24903,CO-ADD:0231912,7.54,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(=O)c(cccn3)c3,0.0
24905,CO-ADD:0235607,7.54,c1(Nc2ccccc2)nc(N\N=C\c(cc3)ccc3OC)nc(NC)n1,0.0
24906,CO-ADD:0235647,7.54,N1(CC(=O)Nc2c3c(cccc3)nc(CC)c2C)C(=O)c4c(cccc4)C1=O,0.0
24907,CO-ADD:0235674,7.54,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2scc(Br)c2,0.0
24908,CO-ADD:0230703,7.54,[N+](=O)([O-])c(cccc1C(=O)Oc(cc2)ccc2\C=N\NC(=O)c3ccccc3Br)c1,0.0
24909,CO-ADD:0228681,7.54,C(=O)(c(cc1)ccc1C(c2ccccc2)=O)NC(C)CNC(=O)c(cc3)ccc3C(c4ccccc4)=O,0.0
24910,CO-ADD:0230324,7.54,S(=O)(=O)(c1ccc(cc1)\N=C\c(cc2)ccc2Br)c3ccc(cc3)\N=C\c(cc4)ccc4Br,0.0
24911,CO-ADD:0228600,7.54,n1(CC)c2c(c(cc(cc3)\C=N\c4cccc(CO)c4)c13)cccc2,0.0
24912,CO-ADD:0228794,7.54,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc3cccc(Cl)c3,0.0
24913,CO-ADD:0228395,7.54,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3ccc(cc3C)C,0.0
24914,CO-ADD:0228421,7.54,N1(CNc2ccccc2C(OC)=O)c3c(OC1=S)cccc3,0.0
24915,CO-ADD:0223200,7.54,c1(c(\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)ccc(O)c1OC)[N+](=O)[O-],0.0
24916,CO-ADD:0228972,7.54,C(=O)(N\N=C\c1ccccc1Cl)c2ccc(cc2)OC,0.0
24917,CO-ADD:0228070,7.54,N(\C(=C/c(cc1)ccc1OCc2ccccc2)\C(O3)=O)=C3c4ccc(cc4)C,0.0
24918,CO-ADD:0228254,7.54,C(c(cc1)ccn1)(=O)NCc2ccccc2,0.0
24919,CO-ADD:0223802,7.54,C1(=O)C(=O)C(C(C)(C)C)=CC(Cl)C1(Cl)C(C)(C)C,0.0
24920,CO-ADD:0228897,7.53,C1(C(=O)Nc2cccc3c2cccc3NC(=O)C4C5C4CCCC5)C6C1CCCC6,0.0
24921,CO-ADD:0223393,7.53,C(=O)(Nc(cc1)ccc1C)C(=O)NCC2CCCO2,0.0
24922,CO-ADD:0222982,7.53,C(=O)(N\N=C\c(c1c([nH]2)cccc1)c2)C(=O)Nc3ccccc3F,0.0
24923,CO-ADD:0235698,7.53,n1c2c(oc1c3cccc(N)c3)ccc(C)c2,0.0
24924,CO-ADD:0232487,7.53,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c4cc(C)cc(Br)c4O,0.0
24925,CO-ADD:0232387,7.53,N1(CN(CC2)CCN2CN3c(cccc4)c4C(=O)C3=O)c(cccc5)c5C(=O)C1=O,0.0
24926,CO-ADD:0228648,7.53,n1(nnc(C)c1C(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)c3nonc3N,0.0
24927,CO-ADD:0228226,7.53,c(C#N)(c1c2ccccc2)c(\N=C\c3cccc(CC=C)c3OC)oc1c4ccccc4,0.0
24928,CO-ADD:0228116,7.53,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(CNc3cccc(cccc4)c34)=O,0.0
24929,CO-ADD:0230086,7.53,N(=C\c(cc1)ccc1\C=N\c2ccc(cn2)Br)/c3ccc(cn3)Br,0.0
24930,CO-ADD:0223237,7.53,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(cc2)ccc2Cl)=O)c3ccco3,0.0
24931,CO-ADD:0228507,7.53,C(C#N)(=C(N)Oc1c2c(O)ccc1\C=N/c3ccccc3OC)C2c(cccc4[N+](=O)[O-])c4,0.0
24932,CO-ADD:0232611,7.53,C(F)(F)(F)c1ccccc1NC(=O)c(cccn2)c2,0.0
24933,CO-ADD:0235104,7.53,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2C(OC)=O,0.0
24934,CO-ADD:0235058,7.53,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccc(cc2Br)Cl)=O)OC(c3ccccc3)=O)c1,0.0
24935,CO-ADD:0235088,7.53,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
24936,CO-ADD:0223320,7.53,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)OCC(=O)c2ccc(cc2)Br,0.0
24937,CO-ADD:0223040,7.53,C(=O)(Nc(cc1)ccc1C)C(=O)NCC(CCCC)CC,0.0
24938,CO-ADD:0228142,7.53,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c2ccccc2Cl,0.0
24939,CO-ADD:0230038,7.53,P1(=O)(OCC(CO1)(C)C)C(c2ccc(cc2)O)Nc3cccc(Cl)c3,0.0
24940,CO-ADD:0230180,7.53,C(=O)(N(CC1)CCO1)c2ccccc2NC(c3ccccc3)=O,0.0
24941,CO-ADD:0230060,7.53,P(c1cccc(C)c1)(c2cccc(C)c2)c3cccc(C)c3,0.0
24942,CO-ADD:0230173,7.53,C(=O)(N\N=C\c1ccco1)c2ccc(cc2)OCCCCCCCC,0.0
24943,CO-ADD:0229981,7.53,C(=O)(c(cccc1C(=O)NC(CC(C)CC2(C)C)C2)c1)NC(CC(C)CC3(C)C)C3,0.0
24944,CO-ADD:0232638,7.53,c1(cc(ccc1Cl)SC)C(=O)O\N=C(\CC2)/c(ccc(c3C)OC)c3C2,0.0
24945,CO-ADD:0232454,7.53,c1(c(O)c(\C=N\c2c(Cl)ccc(Cl)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
24946,CO-ADD:0223423,7.53,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c2ccccc2OCC,0.0
24947,CO-ADD:0222962,7.53,c(\C=N\Nc1ccccc1)(cc(OCO2)c2c3)c3Br,0.0
24948,CO-ADD:0235142,7.53,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
24949,CO-ADD:0235749,7.53,C(C#N)(C1c2ccccc2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
24950,CO-ADD:0223106,7.53,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc(ccc(c2C)C)c2)=O)O,0.0
24952,CO-ADD:0230333,7.53,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)N\N=C(\C)/c(cc2)ccc2NC(c3ccccc3)=O)c1,0.0
24953,CO-ADD:0232440,7.53,c1(c(O)c(\C=N\c2cccc(O)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
24954,CO-ADD:0228806,7.53,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3Br,0.0
24955,CO-ADD:0230676,7.53,c1(\C=N\NC(COc2ccc(cc2Br)Cl)=O)cc(Br)ccc1O,0.0
24956,CO-ADD:0222981,7.53,c1(SCC(=O)Nc(ccc(c23)cccc2)c3)ccc(\C=N\NC(=O)c4cccc(F)c4)o1,0.0
24957,CO-ADD:0223378,7.53,C(CCC(NCCc1ccccc1)=O)(=O)[O-].[K+],0.0
24958,CO-ADD:0235652,7.53,c1(Sc(cc2)ccc2OC)ccc(\C=N\c(cc3)ccc3O)s1,0.0
24959,CO-ADD:0230691,7.53,C(CSCc1cccc(Cl)c1)(=O)N\N=C\c(ccc(c2OC)OCC=C)c2,0.0
24960,CO-ADD:0235874,7.53,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c2ccccc2Br,0.0
24961,CO-ADD:0223268,7.53,C(/NCc1ccccc1)=N\Cc2ccccc2,0.0
24962,CO-ADD:0228097,7.53,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(CNc2cccc(cccc3)c23)=O)Br,0.0
24963,CO-ADD:0230218,7.53,C(=O)(c1ccccc1C)Nc(cc2)ccc2C(=O)N\N=C\c3ccc(cc3Cl)Cl,0.0
24964,CO-ADD:0230174,7.53,C(=O)(c1ccc(cc1)N)Nc2ccccn2,0.0
24965,CO-ADD:0230396,7.53,N1(CN(C#N)c2nc(C)cc(C)n2)C(=O)c3c(cccc3)C1=O,0.0
24966,CO-ADD:0223123,7.53,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(COc2c(C)cccc2C)=O,0.0
24967,CO-ADD:0232710,7.53,n1(CC)c2c(c(CCCC3=O)c13)cc(Cl)cc2,0.0
24968,CO-ADD:0235480,7.53,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3c4ccccc4OC)C1=O,0.0
24969,CO-ADD:0223340,7.52,C(/C#N)(=C/c1cccc(O)c1)\C(=O)Nc(ccc(c2C)C)c2,0.0
24970,CO-ADD:0235465,7.52,n1cn[nH]c1SCC(=O)Nc2cccc(cccc3)c23,0.0
24971,CO-ADD:0235571,7.52,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc4nnc(SCC)s4)n2,0.0
24972,CO-ADD:0235526,7.52,C1(C(OCC)=O)=C(C)NC(NC1c2c(ccc(cccc3)c23)OCC(OCC)=O)=O,0.0
24973,CO-ADD:0232244,7.52,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
24974,CO-ADD:0228778,7.52,c1(c2ccccc2)cc(ccc1C(=O)OCC(=O)c3ccc(cc3)Br)C(=O)OCC(=O)c4ccc(cc4)Br,0.0
24975,CO-ADD:0228500,7.52,C12(c3c(NC1=O)ccc(Br)c3)C4=C(CCCC4=O)OC(N)=C2C(OCC)=O.O,0.0
24976,CO-ADD:0223108,7.52,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2OCC)cc(c2O)Cl)=C/c3cccs3,0.0
24977,CO-ADD:0228733,7.52,c12c(cc(c3n1)cccc3)Cc(cc(C)cc4C)c24,0.0
24978,CO-ADD:0230484,7.52,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)C)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4C,0.0
24979,CO-ADD:0222872,7.52,[N+](=O)([O-])c(cc1)ccc1c(cc2)ccc2NC(=O)c3ccc(cc3)F,0.0
24980,CO-ADD:0232309,7.52,c1(NC(=O)CN(CC2)CCO2)sc(c3c1C(OCC)=O)CCCC3,0.0
24981,CO-ADD:0232620,7.52,c12c(ccc(O)c1C)\C(\CCC2)=N/OC(=O)c3ccccc3SC,0.0
24982,CO-ADD:0231967,7.52,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Br)c(c4Br)O)c4O)cccc2C,0.0
24983,CO-ADD:0235007,7.52,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3OC(=O)c4ccc(cc4)Br)c5ccc(cc5Cl)F,0.0
24984,CO-ADD:0223728,7.52,c1(csc(\C=N\NC(COc(cc2)ccc2CCC)=O)c1)[N+](=O)[O-],0.0
24985,CO-ADD:0235152,7.52,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
24986,CO-ADD:0228348,7.52,C12(OCCO1)C(=O)N(c(ccc(C)c3)c23)CC=C,0.0
24987,CO-ADD:0228784,7.52,C(COc1ccccc1C)(=O)OCC(=O)c2ccc(cc2)Br,0.0
24988,CO-ADD:0230137,7.52,c1(Br)c(ccc(cccc2)c12)OCC(=O)N\N=C\c3ccccc3Cl,0.0
24989,CO-ADD:0223586,7.52,C1(C#N)=C(N)c2c(cccc2)CC13CCCCC3,0.0
24990,CO-ADD:0232671,7.52,C1(C(=O)OC2CCCCC2)=C(C)NC(=O)NC1c3ccc(cc3)OCC,0.0
24991,CO-ADD:0232754,7.52,N(CC(=O)N\N=C\c(ccc(c1[N+](=O)[O-])N(C)C)c1)(c(cccc2)c23)c(cccc4)c4C3=O,0.0
24992,CO-ADD:0235277,7.52,s1c(C2CCCCC2)nnc1NC(=O)c3ccccc3I,0.0
24993,CO-ADD:0235270,7.52,C(CSc(cc1)ccc1Sc(cc2)ccc2SCC(=O)Nc(cc3)ccc3C(C)C)(=O)Nc(cc4)ccc4C(C)C,0.0
24994,CO-ADD:0235871,7.52,c1(c2ccccc2)cc(ccc1OC(C)=O)C(=O)OCC(=O)c3ccc(cc3)Br,0.0
24995,CO-ADD:0223041,7.52,S(c1ccccc1)(=O)(=O)N(CC(N)=O)c2cc(C)ccc2C,0.0
24996,CO-ADD:0230480,7.52,C(F)(F)(F)C(=O)Nc(cc1)ccc1Oc(cc2)ccc2NC(=O)C(F)(F)F,0.0
24997,CO-ADD:0228073,7.52,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3cc(I)ccc3O,0.0
24998,CO-ADD:0228840,7.52,C(=O)(Nc1cccc(Br)c1)C\C(\C)=N\NC(COc(cc2)ccc2OC)=O,0.0
24999,CO-ADD:0223444,7.52,c1(C(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])nnc(N)[nH]1,0.0
25000,CO-ADD:0223526,7.52,C(=C\Nc1ccc(cc1[N+](=O)[O-])Cl)(/C(=O)NC(N2)=O)\C2=O,0.0
25001,CO-ADD:0223799,7.52,c(C(C)(C)C)(cc(C(c1ccccc1)c2ccccc2)cc3C(C)(C)C)c3O,0.0
25002,CO-ADD:0231910,7.52,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3)c4ccccc4Br,0.0
25003,CO-ADD:0235573,7.52,c1(NC(Cc2ccccc2)=O)nnc(C)s1,0.0
25004,CO-ADD:0222875,7.52,C(=O)(c1ccc(cc1)F)Nc(cc2)ccc2C(C)=O,0.0
25005,CO-ADD:0235569,7.52,N1(CC(=O)Oc(ccc(c23)OC(C=C2C)=O)c3)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
25006,CO-ADD:0232094,7.52,N(=C(/C)\c1cccc(Br)c1)/NC(CNc(ccc(c23)cccc2)c3)=O,0.0
25007,CO-ADD:0223662,7.52,c1(ccc(\C=N\NC(COc2cc(C)c(cc2C(C)C)Br)=O)s1)[N+](=O)[O-],0.0
25008,CO-ADD:0223239,7.52,C(=O)(Oc1ccc(cc1\C=N\NC(CNc(cc2)ccc2C)=O)Br)c3ccco3,0.0
25009,CO-ADD:0228542,7.52,S(=O)(=O)(c1ccc(cc1)C)N(CCN2C(=O)CN(CC3)CCO3)C2,0.0
25010,CO-ADD:0230709,7.52,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)N\N=C\c(ccc(c3OCC)OCC=C)c3,0.0
25011,CO-ADD:0223061,7.52,S(c1ccccc1)(=O)(=O)N(CC(=O)NC2CCCCC2)c3cc(C)ccc3C,0.0
25012,CO-ADD:0230185,7.52,[N+](=O)([O-])c(cccc1C(O\N=C\c(cc2)ccc2OCC)=O)c1,0.0
25013,CO-ADD:0223033,7.52,C(=O)(N\N=C\c(cc1OC)cc(c1OC)OC)C(=O)Nc2cc(C)ccc2C,0.0
25014,CO-ADD:0223002,7.52,N1(c2ccc(cc2)C)C(=O)C(C(C1=O)C34\C=N\NC(=O)C(=O)Nc(cc5)ccc5CC)C(c(c36)cccc6)c(c47)cccc7,0.0
25015,CO-ADD:0230783,7.52,c1(ccc(cc1O)OCC=C)\C=N\c(cc2)ccc2Br,0.0
25016,CO-ADD:0235248,7.52,C(=N\c1ccccc1OCC)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
25017,CO-ADD:0235845,7.52,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2ccccc2C(OCCCCC)=O,0.0
25018,CO-ADD:0235558,7.52,N1(CC(=O)Oc(ccc2c3OC(C=C2C)=O)c3)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
25019,CO-ADD:0229997,7.52,C(=O)(C\C(\C)=N\NC(=O)c1cnccn1)N(CC2)CCC2C(OCC)=O,0.0
25020,CO-ADD:0230241,7.51,C(=O)(N\N=C\c1cccc(Br)c1)c(ccc(c2Br)OC)c2,0.0
25021,CO-ADD:0230261,7.51,C(=O)(N1CCCCC1)c2ccccc2O,0.0
25022,CO-ADD:0223671,7.51,c1(ccc(\C=N\NC(=O)C(C)Oc(ccc(c23)cccc2)c3)s1)[N+](=O)[O-],0.0
25023,CO-ADD:0223478,7.51,c1(N=Nc(ccc(c2C=O)O)c2)nonc1c3ccccc3,0.0
25024,CO-ADD:0222913,7.51,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc2ccc(cc2C)C,0.0
25025,CO-ADD:0229973,7.51,c1(CC(OCC)=O)oc(c(ccc2[N+](=O)[O-])n1)c2,0.0
25026,CO-ADD:0229954,7.51,C(=C\c(ccc(c1OC)O)c1)(/C2=O)\C(=O)OC(C)(C)O2,0.0
25027,CO-ADD:0230504,7.51,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)C(=O)Nc(ccc(c3C)C)c3,0.0
25028,CO-ADD:0228113,7.51,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(CNc(ccc(c34)cccc3)c4)=O,0.0
25029,CO-ADD:0235510,7.51,c1(nc(c2n1CC(=O)N\N=C\c(ccc3c4cccc(Cl)c4Cl)o3)cccc2)c5nonc5N,0.0
25030,CO-ADD:0223624,7.51,N(/c(cc1)ccc1c2ccc(cc2)\N=C\c(ccc(c34)cccc3)c4)=C\c(ccc(c56)cccc5)c6,0.0
25031,CO-ADD:0223018,7.51,C1(NS(C)(=O)=O)=C(C)N(N(c2ccccc2)C1=O)C,0.0
25032,CO-ADD:0235052,7.51,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3cccc(OC)c3)OC,0.0
25033,CO-ADD:0230778,7.51,C(N(CCC)CCC)(=S)Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I,0.0
25034,CO-ADD:0235332,7.51,C(=O)(c1cccc(I)c1)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3I,0.0
25035,CO-ADD:0235021,7.51,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2Cc(cc3)ccc3\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
25036,CO-ADD:0235848,7.51,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)OCC(c2ccccc2)=O,0.0
25037,CO-ADD:0223597,7.51,c1(cc(OC)ccc1NC(=O)c2cccs2)[N+](=O)[O-],0.0
25038,CO-ADD:0228244,7.51,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c3cccc(cccc4)c34,0.0
25039,CO-ADD:0228216,7.51,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Nc2scc(c(ccc(c3[N+](=O)[O-])C)c3)n2,0.0
25040,CO-ADD:0228423,7.51,N(C(=O)\C(\S1)=C/c(ccc(c2OC)O)c2)=C1N3CCCCC3,0.0
25041,CO-ADD:0228427,7.51,N1(c2ccccc2Oc3ccccc3)C(=O)c4c(c5C1=O)c(ccc4)ccc5,0.0
25042,CO-ADD:0223148,7.51,C(=N\NC(CNc1ccccc1C)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
25043,CO-ADD:0223798,7.51,C(Cl)(C(C)(C)C)(C=C(C=C1C(C)(C)C)C(=C2)C=C(C(=O)C2(Cl)C(C)(C)C)C(C)(C)C)C1=O,0.0
25044,CO-ADD:0228419,7.51,N1C(=O)\C(\SC1=S)=C/c(ccc(c2OC)OCc3ccc(cc3Cl)Cl)c2,0.0
25045,CO-ADD:0223187,7.51,c1(OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccco3)OC)c(Br)cc(cc1Br)Br,0.0
25046,CO-ADD:0228312,7.51,c1(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)sc3c(ccc(c3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n1,0.0
25047,CO-ADD:0228813,7.51,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3c(O)ccc(Cl)c3,0.0
25048,CO-ADD:0235832,7.51,c1(ccc(cc1)SCC(C)=O)c2ccc(cc2)SCC(C)=O,0.0
25049,CO-ADD:0232606,7.51,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1(C)C)=O)C2c3ccc(c(Br)c3)OC,0.0
25050,CO-ADD:0235925,7.51,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cccc2C(C)=O)c2)c3ccc(cc3C)Cl,0.0
25051,CO-ADD:0232422,7.51,C1(\N=C\c2ccccc2O)(Oc(cccc3)c3C4\N=C\c5ccccc5O)C4CCCC1,0.0
25052,CO-ADD:0235019,7.51,c1(oc(c2n1)ccc(c2)\N=C\c3cc(Br)ccc3O)c4c(O)cc(c5c4)cccc5,0.0
25053,CO-ADD:0232464,7.5,n1c2c(oc1c3cccc(c3)\N=C\c(cc4)ccc4C(OC)=O)cccc2C,0.0
25054,CO-ADD:0228875,7.5,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Oc(cc4)ccc4C5(c6ccc(cc6)OC(=O)c(ccc(c7C8=O)C(N8c9cccc(c9)[N+](=O)[O-])=O)c7)c%10c(c(cccc%11)c5%11)cccc%10,0.0
25055,CO-ADD:0228402,7.5,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)Nc3cccc(C)c3C,0.0
25056,CO-ADD:0230272,7.5,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\c2cccc(OC)c2OC,0.0
25057,CO-ADD:0230243,7.5,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)N\N=C\c2ccc(cc2OCc3cccc(C)c3)OCc4cccc(C)c4)c1,0.0
25058,CO-ADD:0223544,7.5,C(=O)(Nc1cccc(C)c1)C(NCCOC=C)=O,0.0
25059,CO-ADD:0230302,7.5,C(N)(=O)N\N=C\c1cccs1,0.0
25060,CO-ADD:0230041,7.5,C(=O)(C(C)(C)Cl)Nc(cc1)ccc1C(NCCN(CC)CC)=O,0.0
25061,CO-ADD:0230075,7.5,n1c(c(cc2)ccc2c3ccccc3)csc1N,0.0
25062,CO-ADD:0229951,7.5,C(=C/C=C/c1ccco1)(/C(=O)NC(N2)=O)\C2=O,0.0
25063,CO-ADD:0228146,7.5,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c2cccc(CC=C)c2O,0.0
25064,CO-ADD:0228267,7.5,n1(CC(OCC)=O)c2c(nn1)cccc2,0.0
25065,CO-ADD:0228175,7.5,S1(=O)(=O)c2c(C(Nc(cc3)ccc3OCC)=N1)ccc(c2)[N+](=O)[O-],0.0
25066,CO-ADD:0232221,7.5,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(COc3ccc(cc3Br)Cl)=O,0.0
25067,CO-ADD:0235408,7.5,n1(c2c(nn1)cccc2)[C@H]3C(=O)C=C(C[C@@H]3c4cccs4)\C=C\c5cccs5,0.0
25068,CO-ADD:0235922,7.5,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(OC)c2)c3ccc(cc3C)Cl,0.0
25069,CO-ADD:0235775,7.5,c1(SCC(=O)c2ccc(cc2)Cl)nc(cc(C)c1C#N)C(F)(F)F,0.0
25070,CO-ADD:0232678,7.5,C1(C(=O)OC2CCCCC2)=C(C)NC(=O)NC1c3ccccc3,0.0
25071,CO-ADD:0232677,7.5,C1(C(=O)OC2CCCC2)=C(C)NC(NC1c3ccc(c(Br)c3)OC)=O,0.0
25072,CO-ADD:0228345,7.5,N1(c2ccc(cc2)Sc(cc3)ccc3[N+](=O)[O-])C(=O)c(cc4)c(c(c5)C1=O)c(c4C6=O)c(c5)C(N6c7ccc(cc7)Sc(cc8)ccc8[N+](=O)[O-])=O,0.0
25073,CO-ADD:0235875,7.5,N1(c(cc2)ccc2C(OCCCCCCCC)=O)C(=O)c3c(cc(cc3)Br)C1=O,0.0
25074,CO-ADD:0235689,7.5,C1(Nc(c(Nc2ccccc2C)n3)nc(c34)non4)=C(C)N(N(c5ccccc5)C1=O)C,0.0
25075,CO-ADD:0231977,7.5,c1(oc(c2n1)ccc(c2)\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])Br)c4cc(Cl)ccc4Cl,0.0
25076,CO-ADD:0230022,7.5,S1(=O)(=O)c2c(C(NC3CCCC(C)C3C)=N1)ccc(c2)[N+](=O)[O-],0.0
25077,CO-ADD:0230240,7.5,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)N\N=C\c2cccc(OC)c2OCc3cccc(C)c3)c1,0.0
25078,CO-ADD:0228521,7.5,C1(C#N)(C#N)[C@@H](c2ccc(cc2)Cl)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(C)=O,0.0
25079,CO-ADD:0232197,7.5,c1(\C=N\c(cc2)ccc2c3oc(c4n3)ccc(Cl)c4)c(O)c(OC)cc(Br)c1Br,0.0
25080,CO-ADD:0230710,7.5,C(=O)(Nc1cccc(Br)c1)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O,0.0
25081,CO-ADD:0228122,7.5,c1(ccc(\C=N\NC(CNc2cccc(cccc3)c23)=O)o1)c4ccc(cc4Cl)Cl,0.0
25082,CO-ADD:0228965,7.5,c12c(cc(c3n1)cccc3)Cc(cc(C)cc4)c24,0.0
25083,CO-ADD:0222922,7.5,C(=C/c(ccc(c1O)OC)c1)(/C(=O)NC(N2)=O)\C2=O,0.0
25084,CO-ADD:0235169,7.5,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(COc3c(C)cccc3C)=O,0.0
25085,CO-ADD:0232479,7.5,C(=O)(Oc1cccc(c1)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c3cccc(Br)c3,0.0
25086,CO-ADD:0223422,7.5,C(c1ccccc1)(OC(=O)\C=C\c(cc2)ccc2OC)C(O)=O,0.0
25087,CO-ADD:0222994,7.5,c1(SCC(=O)Nc(ccc(c23)cccc2)c3)ccc(\C=N\NC(CCCC)=O)o1,0.0
25088,CO-ADD:0222918,7.49,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Oc2c(Br)cc(cc2Br)Br,0.0
25089,CO-ADD:0232001,7.49,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c4c(O)ccc(cccc5)c45,0.0
25090,CO-ADD:0230331,7.49,c1(c(ccc(c1)[N+](=O)[O-])Oc2ccc(cc2OC)\C=N\c3cccc(cccc4)c34)[N+](=O)[O-],0.0
25091,CO-ADD:0230660,7.49,C(=C\c(ccc(c1OC)OC)c1)(/c(cc(C)cc2)c23)\c(cc(cccc4)c4n5)c35,0.0
25092,CO-ADD:0228711,7.49,N1(c2ccc(cc2)OCCC)C(=O)CC(N3CCCC3)C1=O,0.0
25093,CO-ADD:0228269,7.49,n1(CC=C)c(CCC(COCCC)O)nnc1S,0.0
25094,CO-ADD:0230374,7.49,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/Cc2ccccc2)\c(cc3)ccc3c4ccccc4)[N+](=O)[O-],0.0
25095,CO-ADD:0228094,7.49,c1(O)c(Br)cc(cc1Br)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
25096,CO-ADD:0230036,7.49,c1(C#N)c(NC)oc(c2ccc(cc2)C)n1,0.0
25097,CO-ADD:0230677,7.49,N(=C\c(cc1)ccc1C)/NC(CCCc2ccc(cc2C)OC)=O,0.0
25098,CO-ADD:0235481,7.49,N1(C(CC(c(ccc(c2F)OC)c2)=N1)c3ccc(cc3Cl)Cl)c4scc(c5ccc(cc5)I)n4.Br,0.0
25099,CO-ADD:0235338,7.49,C(=CC(\C=C\c(c(Cl)ccc1[N+](=O)[O-])c1)=NC2=O)(C(F)(F)F)N2,0.0
25100,CO-ADD:0235694,7.49,N1(c(ccc(c2C(O)=O)O)c2)C(=O)c(c3C1=O)ccc(C(=O)c(cccc4[N+](=O)[O-])c4)c3,0.0
25101,CO-ADD:0235682,7.49,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(cccc3[N+](=O)[O-])c3,0.0
25102,CO-ADD:0231891,7.49,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2cccs2,0.0
25103,CO-ADD:0232783,7.49,n1(c(C)c(nn1)\C(\C)=N\N=C\c(c2c([nH]3)cccc2)c3)c4nonc4N,0.0
25104,CO-ADD:0228029,7.49,n1c2c(oc1c(cc3)ccc3C(C)(C)C)ccc(c2)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
25105,CO-ADD:0228100,7.49,N(\C(=C/c(cc1)ccc1OCc2ccccc2)\C(O3)=O)=C3c4ccc(cc4)I,0.0
25106,CO-ADD:0230621,7.49,c1(c2ccccc2)[nH]c(c3c1C(C)=O)cccc3,0.0
25107,CO-ADD:0228869,7.49,C(F)(C(F)(F)F)(C(=O)Nc(cc1)ccc1C(NCCCCCCCCCCC)=O)OC(F)(F)C(F)(F)C(F)(F)F,0.0
25108,CO-ADD:0235713,7.49,N(\C(=C/c(cc1)ccc1C)\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
25109,CO-ADD:0228222,7.49,N1(Cc2ccccc2)C(=O)NC(\C(=C/c(c(cccc3)c3n4C(C)=O)c4)\C1=O)=O,0.0
25110,CO-ADD:0235553,7.49,c1(SCC(=O)Nc2ccc(cn2)Cl)nccn1C,0.0
25111,CO-ADD:0235857,7.49,[N+](=O)([O-])c(ccc(c1C(=O)OCC(=O)c2ccc(cc2)Br)C(=O)OCC(=O)c3ccc(cc3)Br)c1,0.0
25112,CO-ADD:0235574,7.49,n1(cc(nn1)C(C)O)c2nonc2N,0.0
25113,CO-ADD:0235562,7.49,N1(C(C)C(=O)Nc(cc2)ccc2S(N)(=O)=O)C(=O)CCC1=O,0.0
25114,CO-ADD:0232614,7.49,C(=C\c(cc1)ccc1N(CC)CC)(/C2=O)\C(c3ccccc3)=NO2,0.0
25115,CO-ADD:0232731,7.49,c1(C(OC)=O)cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
25116,CO-ADD:0230588,7.49,C(=O)(Nc(ccc(c1Cl)Cl)c1)c2ccc(c(cccc3)c23)F,0.0
25117,CO-ADD:0235176,7.49,n1c2c(oc1c3ccc(cc3)C)ccc(c2)\N=C\c(ccc(c4Cl)Cl)c4,0.0
25118,CO-ADD:0228259,7.49,C(=O)(N\N=C\c1c(O)ccc(cccc2)c12)C(=O)Nc3cccc(Cl)c3Cl,0.0
25119,CO-ADD:0223793,7.49,c(C(C)(C)C)(cc(\C(\C)=N\O)cc1C(C)(C)C)c1O,0.0
25120,CO-ADD:0230688,7.49,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\C=C\c2ccccc2,0.0
25121,CO-ADD:0232472,7.49,n1c2c(oc1c3cccc(c3)\N=C\c4c5c(cccc5)cc(cccc6)c46)cccc2C,0.0
25122,CO-ADD:0232028,7.49,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5cccc(F)c5)OC,0.0
25123,CO-ADD:0232812,7.49,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2Cl)N3CCNC(C)C3,0.0
25124,CO-ADD:0232781,7.49,N1(CCc2ccccc2)C(=O)CC(N(CC3)CCN3c4ccccc4)C1=O,0.0
25125,CO-ADD:0232072,7.48,C(=O)(N\N=C\c(cc1)cc(c1OC(=O)c2cccc(Br)c2)OC)C(O)(c3ccccc3)c4ccccc4,0.0
25126,CO-ADD:0232068,7.48,c1(c(O)c(\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
25127,CO-ADD:0232025,7.48,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(COc3cc(C)ccc3C(C)C)=O,0.0
25128,CO-ADD:0223506,7.48,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C\NCCC,0.0
25129,CO-ADD:0235214,7.48,n1c2c(oc1c3ccc(cc3)\N=C\c(cc4)ccc4OCc5ccccc5)cccc2,0.0
25130,CO-ADD:0230696,7.48,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccc2\C=N\NC(COc3ccc(cc3Br)Cl)=O,0.0
25131,CO-ADD:0223733,7.48,C(=O)(N\N=C\c1ccc(Br)s1)C(C)Oc(cc2)ccc2Cl,0.0
25132,CO-ADD:0223734,7.48,c1(csc(\C=N\NC(=O)c2ccc(cc2)OCc3cccc(OC)c3)c1)[N+](=O)[O-],0.0
25133,CO-ADD:0228693,7.48,C1(C(OCC)=O)=C(C)NC(NC1c(cc(C)cc2N(CCCl)CCCl)c2)=O,0.0
25134,CO-ADD:0215739,7.48,C(CSCc1ccccn1)(=O)Nc(ccc(c23)cccc2)c3,0.0
25135,CO-ADD:0215771,7.48,c1(c(O)cc(c2c1)cccc2)C(=O)N\N=C(/C3)\CCC(C)C3,0.0
25136,CO-ADD:0165860,7.48,O=[S@]([C@H]([C@@H](C1)C)C[C@@H]2[C@H]1C2(C)C)N[C@H](C(F)(F)C(OCC)=O)C3=C(O)C=CC=C3,0.0
25137,CO-ADD:0226557,7.48,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)SCC(=O)c4c5c([nH]c4)cccc5,0.0
25138,CO-ADD:0225445,7.48,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5ccc(cc5Cl)C)=O,0.0
25139,CO-ADD:0226848,7.48,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4c(Cl)ccc(Cl)c4)c(nn1)C(C)C,0.0
25140,CO-ADD:0220168,7.48,c1(ccc(\C=N\NC(CNc(cc2)ccc2C)=O)o1)[N+](=O)[O-],0.0
25141,CO-ADD:0248382,7.48,N=C(C1=CSC=N1)NC2=CC=CC=C2,0.0
25142,CO-ADD:0222033,7.48,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3C(C)(C)C,0.0
25143,CO-ADD:0220840,7.48,c(Nc1ccccc1)(nc(N\N=C\c2cccc(OC)c2O)nc3Nc(cc4)ccc4OC)n3,0.0
25144,CO-ADD:0220183,7.48,[N+](=O)([O-])c1c(\C=N\NC(CNc(cc2)ccc2C)=O)cc(c3c1)OCO3,0.0
25145,CO-ADD:0222339,7.48,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
25146,CO-ADD:0221183,7.48,C1(=S)N(c2cccc(Cl)c2)C3(\C(=N\c(cccc4C(F)(F)F)c4)\N1)CCCCC3,0.0
25147,CO-ADD:0225571,7.48,N12C(C=CC(Sc(cc3)ccc3C)=N1)=NN(CC(=O)Nc4cccc(Cl)c4)C2=O,0.0
25148,CO-ADD:0225324,7.48,c12n(c3c(cccc3)nc1N4CCCCC4)c(nn2)CCC(NCCc(cc5)ccc5Cl)=O,0.0
25149,CO-ADD:0225332,7.48,N1(c2c(ccc(c2)C(=O)NC(C)CC)C(N3C4CC4)=O)C3=NN(CC(=O)NC(C)C)C1=O,0.0
25150,CO-ADD:0217862,7.48,C(=C\c(cc1)cc(c1OC(C)=O)OC)(/C(=O)NCc2ccccc2)\NC(c3ccccc3)=O,0.0
25151,CO-ADD:0218446,7.48,c1(\C=N\NC(COc2cccc(C)c2)=O)cc(C)ccc1O,0.0
25152,CO-ADD:0165972,7.48,C(=O)(NC(C)C)C\C(\C)=N\NC(COc(cc(C)c(c1)Br)c1Br)=O,0.0
25153,CO-ADD:0165982,7.48,C(=O)(c1cccc(c1)OC(NCc2ccccc2)=S)Nc(cc3)ccc3OC,0.0
25154,CO-ADD:0166794,7.48,N1(c(cc2)ccc2S(=O)(=O)Nc(cc3)ccc3Br)C(=O)c(c4)c(c(c5)C1=O)c(cc4[N+](=O)[O-])cc5[N+](=O)[O-],0.0
25155,CO-ADD:0166012,7.48,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
25156,CO-ADD:0165868,7.48,C(F)(F)(F)c1cccc(c1)NC(=O)C\C(\C)=N\NC(=O)c2ccc(cc2)NC(C)=O,0.0
25157,CO-ADD:0166170,7.48,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
25158,CO-ADD:0166178,7.48,c(\C=N\NC(=O)Cc1cccc(cccc2)c12)(cc(Br)cc3Br)c3O,0.0
25159,CO-ADD:0166612,7.48,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc(cc2)ccc2I)=O,0.0
25160,CO-ADD:0219261,7.48,[N+](=O)([O-])c(ccc(c1NC(=O)c(cc2)ccc2C(=O)Nc3cc(ccc3C(O)=O)[N+](=O)[O-])C(O)=O)c1,0.0
25161,CO-ADD:0222330,7.48,N(=C\c1cccc(I)c1O)/c2c(O)ccc(Cl)c2,0.0
25162,CO-ADD:0222728,7.48,N1(c(cc2)ccc2C(C)=O)C(=O)C(C3C1=O)CCCC3,0.0
25163,CO-ADD:0220806,7.48,c1(N(CC2)CCO2)nc(N\N=C\c3cc(Br)ccc3O)nc(Nc(cc4)ccc4C)n1,0.0
25164,CO-ADD:0221140,7.47,c1(Oc(cc2)ccc2N)nc(NCC)nc(NCC)n1,0.0
25165,CO-ADD:0221825,7.47,C(C#N)(C1c2ccc(cc2)OCCCC)=C(N)SC(N)=C1C#N,0.0
25166,CO-ADD:0219391,7.47,C(=O)(C\C(\C)=N\NC(COc(cc1)ccc1Br)=O)Nc2ccc(cc2F)F,0.0
25167,CO-ADD:0219204,7.47,[N+](=O)([O-])c1ccccc1COc2ccccc2\C=N\NC(=O)c3ccc(cc3)OCCCCCCCCCC,0.0
25168,CO-ADD:0219448,7.47,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc2ccccc2,0.0
25169,CO-ADD:0218585,7.47,c1(Cl)c(ccc(Cl)c1)OCC(=O)Nc2cccc(Br)c2,0.0
25170,CO-ADD:0226484,7.47,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)N(CC4)CCN4c5ccccc5F,0.0
25171,CO-ADD:0226605,7.47,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc4cccc(CC)c4,0.0
25172,CO-ADD:0218494,7.47,C(CSc1ccccc1C)(=O)N\N=C\c(cc2)ccc2OC,0.0
25173,CO-ADD:0218510,7.47,C(=O)(C(c1ccccc1)c2ccccc2)NCc(cc3)ccc3C(C)C,0.0
25174,CO-ADD:0225488,7.47,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5ccccc5)=O,0.0
25175,CO-ADD:0214934,7.47,C(=O)(N\N=C\c1ccccc1O)c2ccc(cc2)NC(CC)=O,0.0
25176,CO-ADD:0215471,7.47,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c2ccccc2OCc3ccccc3,0.0
25177,CO-ADD:0166506,7.47,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCc2ccccc2F,0.0
25178,CO-ADD:0166099,7.47,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c2ccccc2OC(=O)c3ccco3,0.0
25179,CO-ADD:0166428,7.47,c1(C(NCCc2ccccc2)=O)cc(F)c(cc1Cl)F,0.0
25180,CO-ADD:0165973,7.47,c1(c2c(cccc2)ccc1OC(=O)c3ccc(cc3)C)\C=N\c(cc4)ccc4Br,0.0
25181,CO-ADD:0165984,7.47,[N+](=O)([O-])c1cc(ccc1C)\C=N/NC(CCCc(ccc(c2C)O)c2)=O,0.0
25182,CO-ADD:0166127,7.47,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2ccc(cc2O)C,0.0
25183,CO-ADD:0215272,7.47,N1(c2ccc(cc2)C)C(=O)C(C3C1=O)C(c4ccccc4)C=CC3c5ccccc5,0.0
25184,CO-ADD:0215712,7.47,s1c(c2ccccc2)nnc1NC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
25185,CO-ADD:0220075,7.47,C(=O)(Oc(cc1)ccc1OC(=O)c2ccc(c3c2)cccc3)c4ccc(c5c4)cccc5,0.0
25186,CO-ADD:0220527,7.47,c(\C=N\NC(CNc(cc1)ccc1C)=O)(cc(I)cc2I)c2OC,0.0
25187,CO-ADD:0218896,7.47,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c3ccc(cc3O)O,0.0
25188,CO-ADD:0219583,7.47,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)C)c2,0.0
25189,CO-ADD:0221181,7.47,N(\C(=N/c(cccc1C(F)(F)F)c1)\C2(N3c4ccc(cc4)Br)CCCCC2)=C3SC.I,0.0
25190,CO-ADD:0226621,7.47,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCC(=O)Nc4c(F)ccc(F)c4,0.0
25191,CO-ADD:0226624,7.47,C1(=NN(C2=O)Cc(cc3)ccc3Cl)N2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
25192,CO-ADD:0226424,7.47,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCc4cccc(Cl)c4,0.0
25193,CO-ADD:0226419,7.47,C1(=NN(C2=O)Cc(cc3)ccc3C)N2C=CN(c4cccc(F)c4)C1=O,0.0
25194,CO-ADD:0218710,7.47,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)C(O)c2ccccc2)O)c1,0.0
25195,CO-ADD:0218806,7.47,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(Cl)c1C)C(=O)Nc2cccc(C)c2,0.0
25196,CO-ADD:0218422,7.47,N1(CCOC(C)=O)C(=O)c2c(c(ccc3N4CCCCC4)C1=O)c3ccc2,0.0
25197,CO-ADD:0218431,7.47,S(CCCCCCCCCC)(=O)(=O)Nc(cc1)ccc1OC(CCCCCCC)=O,0.0
25198,CO-ADD:0218487,7.47,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(cc1)ccc1OC,0.0
25199,CO-ADD:0215383,7.47,n1c(ccc(C#N)c1SCC(=O)Nc(cc2)ccc2I)c3cccs3.[Na+],0.0
25200,CO-ADD:0215399,7.47,N12C(S\C(=C/c3cccc(C)c3)\C1=O)=C(C(c4cccc(C)c4)C(C#N)=C2N)C#N,0.0
25201,CO-ADD:0215595,7.47,c1(C(F)(F)F)nc(sc1c2ccc(cc2)Cl)N\N=C\c3ccccc3OC,0.0
25202,CO-ADD:0214947,7.46,C(=O)(N\N=C\c(ccc(c1OCC)OCc(cc2)ccc2Cl)c1)C(=O)NCc3ccccc3,0.0
25203,CO-ADD:0165931,7.46,c1(c(C)cc(cc1C)C)NC(=O)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
25204,CO-ADD:0166692,7.46,C(C(OCC)=O)(C1c2ccc(cc2)OCc3ccccc3)=C(CSc4c(cc(c5n4)CCC5)C#N)OC(N)=C1C#N,0.0
25205,CO-ADD:0166075,7.46,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
25206,CO-ADD:0166694,7.46,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCc(cc3)ccc3C(C)(C)C)c4cccs4,0.0
25207,CO-ADD:0218527,7.46,[N+](=O)([O-])c1cc(ccc1C)\C=N\NC(CSc2ccccc2C)=O,0.0
25208,CO-ADD:0218543,7.46,N1C(=O)\C(\SC1=O)=C/c(cc2)ccc2C(C)C,0.0
25209,CO-ADD:0220501,7.46,[N+](=O)([O-])c(cc1)ccc1\C=C(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc3c4ccc(cc4)Cl)o3,0.0
25210,CO-ADD:0222431,7.46,c(Nc1ccccc1)(nc(N\N=C\c2cccc(OC)c2)nc3Nc4ccccc4)n3,0.0
25211,CO-ADD:0222360,7.46,c1(N(CC2)CCO2)nc(N\N=C/c3ccccc3C)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
25212,CO-ADD:0219133,7.46,C(=O)(N\N=C\c1ccccc1)C(=O)Nc2cccc(F)c2,0.0
25213,CO-ADD:0220232,7.46,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c2ccccc2,0.0
25214,CO-ADD:0222476,7.46,C(=C\c(ccc(c1[N+](=O)[O-])Br)c1)(/C2=O)\Sc(c23)cccc3,0.0
25215,CO-ADD:0219552,7.46,C(CN1CCCCC1)#Cc2ccccc2,0.0
25216,CO-ADD:0219496,7.46,C(=O)(N\N=C\C=C\c1ccccc1)CN(C)c2ccccc2,0.0
25217,CO-ADD:0226628,7.46,C1(=N2)N(C=CN(c3ccc(c(C)c3)C)C1=O)C(N2Cc4c(cccc4Cl)F)=O,0.0
25218,CO-ADD:0225675,7.46,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)NC4CCCCC4)=O,0.0
25219,CO-ADD:0217927,7.46,C(=O)(Nc(cc1)ccc1C)N(Cc2ccccc2)C(C)C3CC3,0.0
25220,CO-ADD:0217983,7.46,c1(ccc(C(=O)Oc2cccc(c2)\C=N\NC(COc3c(C)cccc3C)=O)o1)[N+](=O)[O-],0.0
25221,CO-ADD:0165927,7.46,c1(O)c(cccc1\C=N\NC(CCc2ccccc2)=O)O,0.0
25222,CO-ADD:0166741,7.46,c1(non2)c2nc(NCCO)c(Nc(cc3)ccc3Cl)n1,0.0
25223,CO-ADD:0166464,7.46,C(=O)(N\N=C/c(cc1)ccc1OCc2ccccc2)C(=O)NC(C)c3ccccc3,0.0
25224,CO-ADD:0166098,7.46,C(COc(cc1)ccc1Cl)(=O)N\N=C\c2ccc(cc2OC)OC,0.0
25225,CO-ADD:0165976,7.46,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)c2ccc(cc2)COc(cc3)ccc3C,0.0
25226,CO-ADD:0166547,7.46,C(=O)(N\N=C\c(ccc(c1Cl)Cl)c1)C(=O)Nc2cccc(C)c2,0.0
25227,CO-ADD:0166670,7.46,c1(C#N)c(C)c(C)c(nc1SCC(=O)CC(OCC)=O)C,0.0
25228,CO-ADD:0215667,7.46,c1(SCc(c2)c(cc3)c([nH]2)cc3[N+](=O)[O-])sc(c4n1)cccc4,0.0
25229,CO-ADD:0166717,7.46,C1(C#N)(C#N)C(c2ccc(cc2)C)C(C3)C(C(C#N)=C1N)=CCN3C(C)C,0.0
25230,CO-ADD:0218223,7.46,C1(=O)N(c2ccc(cc2)OC)C(=O)\C(\C(=O)N1c3ccc(cc3)OC)=C\c(cc4)ccc4OC,0.0
25231,CO-ADD:0218141,7.46,C(NCCC(c1ccccc1)c2ccccc2)(=O)c(cccn3)c3,0.0
25232,CO-ADD:0218146,7.46,S1(=O)(=O)c(cccc2)c2C(NC(CC)CC)=N1,0.0
25233,CO-ADD:0218546,7.46,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cc4)ccn4,0.0
25234,CO-ADD:0218210,7.46,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2ccccc2C)O)c1,0.0
25235,CO-ADD:0218642,7.46,c1(cccc(cccc2)c12)NC(=O)\C=C\c(cc3)ccc3Br,0.0
25236,CO-ADD:0220913,7.46,c(c(Br)c1Br)c(NCC(=O)N\N=C\c2cc(OC)ccc2O)c(c1)Br,0.0
25237,CO-ADD:0220991,7.46,C(=N/NC(COc1c(Br)cc(cc1Br)C)=O)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
25238,CO-ADD:0221032,7.46,C(OC)(=O)c1ccc(cc1)NC(CCCCCCCCC)=O,0.0
25239,CO-ADD:0220519,7.46,[N+](=O)([O-])c(cc1)cc(c1N(C)C2CCCCC2)\C=N\NC(COc3ccccc3C)=O,0.0
25240,CO-ADD:0221953,7.46,C12(\C=N\c3cccc(C)c3)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)Br)=O)c(cccc7)c27,0.0
25241,CO-ADD:0222247,7.46,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(CNc3cccc(cccc4)c34)=O,0.0
25242,CO-ADD:0219132,7.46,C(=O)(Nc1cccc(F)c1)C(NC)=O,0.0
25243,CO-ADD:0221993,7.46,c1(c2)c(c(CC1)ccc3)c3cc2\C(\C)=N\NC(CNC(=O)c4cccc(F)c4)=O,0.0
25244,CO-ADD:0219678,7.45,C(=O)(N\N=C(\C)/CC(=O)Nc(ccc(c1Cl)C)c1)C(=O)Nc2cccc(Cl)c2C,0.0
25245,CO-ADD:0219637,7.45,C(/O)(\c1ccc(cc1)OC)=C\C=N\c2ccccc2OC,0.0
25246,CO-ADD:0219371,7.45,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc2cccc(I)c2,0.0
25247,CO-ADD:0219307,7.45,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\C=C\c3ccccc3,0.0
25248,CO-ADD:0217943,7.45,[N+](=O)([O-])c(cc1)ccc1n2cccc2\C=N/C3CCCCC3,0.0
25249,CO-ADD:0225656,7.45,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc4ccccc4C(OCC)=O)=O,0.0
25250,CO-ADD:0214955,7.45,c1(C(F)(F)F)nc(sc1c2ccccn2)\N=C\c3ccccc3O,0.0
25251,CO-ADD:0215490,7.45,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c(cc2)ccc2F,0.0
25252,CO-ADD:0166411,7.45,c(C#N)(c1c2ccccc2)c(\N=C\c(cc3)ccc3OCc(cc4)ccc4[N+](=O)[O-])oc1c5ccccc5,0.0
25253,CO-ADD:0165840,7.45,C(C(C(c(non1)c1N)=NC2(C)C)(C2)C(OC)=CC3=O)=C3OC,0.0
25254,CO-ADD:0166151,7.45,c1(c(\C=N\NC(COc2cc(C)ccc2C(C)C)=O)ccc(OC(C)=O)c1OC)[N+](=O)[O-],0.0
25255,CO-ADD:0165835,7.45,CC(C)(C1)N=C2[C@@]13[C@@]([H])(CC(=O)c(ccc4)c3c4)Nc5c2non5,0.0
25256,CO-ADD:0165851,7.45,[C@@H]1(C[C@@H]2S(=O)NC(C(F)(F)F)c(ccc([N+](=O)[O-])c3)c3)[C@@H](C1(C)C)C[C@H]2C,0.0
25257,CO-ADD:0165917,7.45,C(=O)(C\C(\C)=N\NC(COc(cc(C)c(c1)Br)c1Br)=O)Nc2ccccc2F,0.0
25258,CO-ADD:0225953,7.45,N12C(C=CC(c3ccccc3)=N1)=NN(Cc(ccc(c4F)OC)c4)C2=O,0.0
25259,CO-ADD:0225961,7.45,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(Cc(cc4F)cc(c4)F)C2=O,0.0
25260,CO-ADD:0219392,7.45,c1(\C=N\NC(CCC(=O)Nc2cccc(Cl)c2)=O)cc(Br)ccc1O,0.0
25261,CO-ADD:0219383,7.45,c1(c(C)ccc(Cl)c1)\N=C\C=C(/O)\c2ccc(cc2)Cl,0.0
25262,CO-ADD:0219332,7.45,N(/c(cccc1NC(C)=O)c1)=C\c2ccccc2O,0.0
25263,CO-ADD:0219662,7.45,C(=O)(N\N=C\c1ccccc1OCCCC)CCSc(cc2)ccc2Cl,0.0
25264,CO-ADD:0220700,7.45,c1(N(CC2)CCO2)nc(N\N=C\c(cc(I)cc3I)c3O)nc(Nc(cc4)ccc4C)n1,0.0
25265,CO-ADD:0218933,7.45,c1(ccccc1I)C(=O)N\N=C(/C)\CC(=O)Nc2cccc(Cl)c2C,0.0
25266,CO-ADD:0219633,7.45,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)Nc2cccc(C)c2,0.0
25267,CO-ADD:0218926,7.45,c1(c(C)cc(cc1C)C)NC(=O)C\C(\C)=N\NC(=O)c2ccccc2F,0.0
25268,CO-ADD:0219520,7.45,C(c1ccccc1)(=O)NC(C(OC)=O)CC(NC)=O,0.0
25269,CO-ADD:0218733,7.45,C(=O)(C\C(\C)=N/NC(=O)c1ccc(cc1)Br)Nc2ccccc2CC,0.0
25270,CO-ADD:0218757,7.45,C(=O)(c1cccc(Br)c1)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
25271,CO-ADD:0218245,7.45,c1(ccc(cc1Cl)Cl)\C=N\c(cccc2NC(C)=O)c2,0.0
25272,CO-ADD:0218357,7.45,o1c(C)ccc1\C=N\NC(Cc2ccccc2)=O,0.0
25273,CO-ADD:0225691,7.45,C1(=N2)N(C=CN=C1Oc3cccc(F)c3)C(N2CC(=O)Nc(cc4)ccc4OC)=O,0.0
25274,CO-ADD:0225325,7.45,c12n(c3c(cccc3)nc1N4CCCCC4)c(nn2)CCC(=O)N(CC5)CCC5C(N)=O,0.0
25275,CO-ADD:0226993,7.45,N(C1=O)(c(ccs2)c2C(N3CC(C)C)=O)C3=NN1CC(=O)N(C)c4ccccc4,0.0
25276,CO-ADD:0215434,7.45,[N+](=O)([O-])c(cccc1C(=O)N\N=C(/C)\CC(=O)Nc2cc(C)ccc2OC)c1,0.0
25277,CO-ADD:0214922,7.45,C(=O)(N1CCC(CC1)C)C(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
25278,CO-ADD:0215080,7.45,[N+](=O)([O-])c1cccc(c1)\C(\C)=N\NC(=O)C(C)(C)Oc(cc2)ccc2CC,0.0
25279,CO-ADD:0215128,7.45,C(=C\Nc(cccc1C(O)=O)c1)(/C(=O)NC(N2)=S)\C2=O,0.0
25280,CO-ADD:0166038,7.45,C(=O)(N\N=C\c(cc1)ccc1C(O)=O)C(=O)NC2CCCCC2,0.0
25281,CO-ADD:0166522,7.45,c1(c(C)cccc1C)NC(CSCC(=O)Nc2ccccc2)=O,0.0
25282,CO-ADD:0221141,7.45,c1(I)ccc(\C=N\NC(COc(cc2)c(C)cc2C(C)(C)C)=O)o1,0.0
25283,CO-ADD:0222737,7.45,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3,0.0
25284,CO-ADD:0220401,7.45,c1(cc(OC)cc(\C=N\c(ccc(c2[nH]3)nc3c4ccccc4)c2)c1O)[N+](=O)[O-],0.0
25285,CO-ADD:0220495,7.45,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3c(Cl)cc(cc3Cl)Cl)=O,0.0
25286,CO-ADD:0220302,7.45,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CNc2cccc(C)c2)=O,0.0
25287,CO-ADD:0219494,7.44,C(=O)(N\N=C\c1ccccc1OC)CN(C)c2ccccc2,0.0
25288,CO-ADD:0220736,7.44,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(cc(Br)cc2Br)c2OC)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
25289,CO-ADD:0219222,7.44,N(=C\c(cc1)ccc1OCCCCCCC)/NC(CCC(=O)Nc(cc2)ccc2Br)=O,0.0
25290,CO-ADD:0220625,7.44,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3cccc(cccc4)c34,0.0
25291,CO-ADD:0219380,7.44,[N+](=O)([O-])c1ccccc1C(=O)N\N=C(/C)\c2ccc(cc2)OCc(cc3)ccc3Cl,0.0
25292,CO-ADD:0222576,7.44,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3OCC)CCCC2,0.0
25293,CO-ADD:0219995,7.44,[N+](=O)([O-])c1cccc(c1)NC(COc(ccc(c23)cccc2)c3)=O,0.0
25294,CO-ADD:0218235,7.44,c1(\C=N\NC(COc(cc2)ccc2C)=O)cc(Br)ccc1OC,0.0
25295,CO-ADD:0226425,7.44,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCc4ccccc4F,0.0
25296,CO-ADD:0226496,7.44,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCC(=O)c4ccc(cc4)F,0.0
25297,CO-ADD:0225664,7.44,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc(cc(C)c(c4)Cl)c4OC)=O,0.0
25298,CO-ADD:0226776,7.44,c1(C2=O)n(c(nn1)CCC)c3c(cccc3)N2CC(=O)Nc(cc4)ccc4C(C)=O,0.0
25299,CO-ADD:0218440,7.44,c1(\C=N\NC(COc(cc2)ccc2Br)=O)cc(OC)ccc1O,0.0
25300,CO-ADD:0166144,7.44,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c4cc(Cl)ccc4OC,0.0
25301,CO-ADD:0215732,7.44,c(C#N)(c1c2ccccc2)c(\N=C\c3ccco3)oc1c4ccccc4,0.0
25302,CO-ADD:0166549,7.44,C(NCCOc1cc(C)ccc1C(C)C)(=S)Nc2cccc(cccc3)c23,0.0
25303,CO-ADD:0165911,7.44,c1(c2c(cccc2)ccc1OC(=O)c3ccc(cc3)C)\C=N\c(cc4)ccc4NC(C)=O,0.0
25304,CO-ADD:0226498,7.44,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCC(=O)c4ccc(cc4)OCC,0.0
25305,CO-ADD:0226562,7.44,C1(=NN(C2=O)CC(=O)Nc(ccc(c34)OCO3)c4)N2c(c5C(=O)N1Cc(cc6)ccc6F)cccc5,0.0
25306,CO-ADD:0218066,7.44,N1(c(cc2)ccc2\C(\C)=N/NC(OCC)=O)C(=O)C3C(CCCC3)C1=O,0.0
25307,CO-ADD:0218065,7.44,N1(CNc(cc2)ccc2Br)C(=O)\C(\NC1=S)=C/c3cccc(Br)c3,0.0
25308,CO-ADD:0218189,7.44,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(cc2)ccc2OC(C)=O)c1,0.0
25309,CO-ADD:0218653,7.44,C(=O)(N\N=C(/C)\CC(=O)Nc1ccc(cc1Cl)Cl)C(=O)NC(C)C,0.0
25310,CO-ADD:0218669,7.44,[N+](=O)([O-])c(cccc1C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2F)c1,0.0
25311,CO-ADD:0222422,7.44,c(Nc1ccccc1)(nc(N\N=C\c(cccn2)c2)nc3Nc4ccccc4)n3,0.0
25312,CO-ADD:0219149,7.44,c1(C)c(cccc1NC(CCC(OC)=O)=O)Cl,0.0
25313,CO-ADD:0220664,7.44,S(=O)(=O)(NC(C)(C)C)c(cc(\C(=C(/C#N)\C#N)\c(c12)cc(cc1[N+](=O)[O-])S(=O)(=O)NC(C)(C)C)c2c3[N+](=O)[O-])c3,0.0
25314,CO-ADD:0219997,7.44,c1(scc(c2ccccc2)c1C(OCC)=O)NC(c3ccccc3)=O,0.0
25315,CO-ADD:0222768,7.44,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)Br)OC(=O)c3ccco3,0.0
25316,CO-ADD:0222701,7.44,C(CCC(O)=O)(=O)Nc(cc1)ccc1I,0.0
25317,CO-ADD:0222744,7.44,C(=O)(Oc1ccccc1\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c3ccco3,0.0
25318,CO-ADD:0222735,7.44,C(=O)(C(NCCCO)=O)Nc1ccccc1CC,0.0
25319,CO-ADD:0220190,7.44,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C(/C)\c2cccc(Br)c2,0.0
25320,CO-ADD:0222239,7.44,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(Cl)c2)=O)N(CC3)CCO3)c1,0.0
25321,CO-ADD:0220587,7.44,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(COc3ccc(cc3Cl)Cl)=O)Br,0.0
25322,CO-ADD:0220054,7.44,C(=C\Nc1ccccc1)(/C2=O)\C(=O)NC(=S)N2,0.0
25323,CO-ADD:0222095,7.44,N(c1c(CC)cccc1CC)C(=O)C(=O)NCc2ccccc2,0.0
25324,CO-ADD:0219310,7.44,c(Nc1ccccc1)(nc(N\N=C\c2ccc(cc2Cl)Cl)nc3NC4CCCCC4)n3,0.0
25325,CO-ADD:0218435,7.43,S(CCCCCCCCC)(=O)(=O)N\N=C\c1ccccc1,0.0
25326,CO-ADD:0218491,7.43,C(NCCOc(cc1)ccc1OC)(=O)Nc(cc2)ccc2OCCCCCCCCCC,0.0
25327,CO-ADD:0218452,7.43,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)N\N=C(\C)/C)c1,0.0
25328,CO-ADD:0218004,7.43,n1(c2ccccc2)nc(c(\C=N\NC(COc3cccc(Cl)c3)=O)c1O)C,0.0
25329,CO-ADD:0225521,7.43,c12n(ccn(c(nn3)CCC(=O)N4CCC(CC4)Cc5ccccc5)c13)nc(c6ccc(cc6)F)c2,0.0
25330,CO-ADD:0226625,7.43,C1(=NN(C2=O)Cc3cccc(Cl)c3)N2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
25331,CO-ADD:0227013,7.43,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc5c(C)cc(cc5C)C,0.0
25332,CO-ADD:0225326,7.43,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc5cccc(OC)c5,0.0
25333,CO-ADD:0165940,7.43,C(=O)(Nc(cc1)ccc1C)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
25334,CO-ADD:0166112,7.43,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
25335,CO-ADD:0166748,7.43,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(NC)(=O)=O,0.0
25336,CO-ADD:0215800,7.43,C(F)(F)(F)C(=O)NCc1cccc(c1)CNC(=O)C(F)(F)F,0.0
25337,CO-ADD:0215289,7.43,N1(c2ccccc2)C(CNc3ccccc3)=Nc(c4C1=O)cccc4,0.0
25338,CO-ADD:0166659,7.43,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2cccc(c2)OCc3ccccc3,0.0
25339,CO-ADD:0215772,7.43,c1(C(OCC)=O)sc2c(ccc(Br)c2OC)c1NC(C)=O,0.0
25340,CO-ADD:0215116,7.43,C(=C\Nc(c(Cl)ccc1[N+](=O)[O-])c1)(/C2=O)\C(=O)NC(=S)N2,0.0
25341,CO-ADD:0226866,7.43,C1(=N2)N(c3c(cccc3)N=C1N(CC4)CCS4)C(N2CC(=O)Nc(cc5)ccc5Br)=O,0.0
25342,CO-ADD:0226853,7.43,N1(c(ccs2)c2C(N3CCc(ccc(c4OC)OC)c4)=O)C3=NN(CC(c5ccccc5)=O)C1=O,0.0
25343,CO-ADD:0218374,7.43,c1(\N=C\c2ccco2)[nH]c(c3n1)cccc3,0.0
25344,CO-ADD:0218753,7.43,N(c1ccccc1Br)C(CCC(=O)N\N=C\c(cc2)ccc2I)=O,0.0
25345,CO-ADD:0218369,7.43,C1(\N=C\c2ccccc2[N+](=O)[O-])=C(C)N(N(c3ccccc3)C1=O)C,0.0
25346,CO-ADD:0218294,7.43,N1(CCCCC(O)=O)C(=O)c(c2C1=O)cccc2,0.0
25347,CO-ADD:0218291,7.43,C(=O)(\C=C\CCCCC)Nc(cc1)ccc1c2ccc(cc2)NC(=O)\C=C\CCCCC,0.0
25348,CO-ADD:0222751,7.43,c1(ccc(cc1OC)OC)\C(\C)=N\NC(COc2c(C)cccc2C)=O,0.0
25349,CO-ADD:0222825,7.43,n1(CC)c2c(c(cc(cc3)NC(=O)C\C(\C)=N\NC(=O)c4cccc(F)c4)c13)cccc2,0.0
25350,CO-ADD:0220466,7.43,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(CNc3cccc(C)c3)=O)Br,0.0
25351,CO-ADD:0220314,7.43,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2cccc(C)c2)=O)OC)c1,0.0
25352,CO-ADD:0219095,7.43,C(=O)(N\N=C\CCC)c1ccc(cc1)OCCCCCCCCCC,0.0
25353,CO-ADD:0219429,7.43,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(=O)Nc2cccc(cccc3)c23,0.0
25354,CO-ADD:0221220,7.43,c1(ccccc1O)C(=O)N\N=C\c(cc2)ccc2OCCCC,0.0
25355,CO-ADD:0219292,7.43,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C(/C)\c4ccc(cc4)Br,0.0
25356,CO-ADD:0222635,7.43,c1(ccccc1Br)C(=O)N\N=C\c2ccccc2OCCCC,0.0
25357,CO-ADD:0222483,7.43,[N+](=O)([O-])c1c(Cl)ccc(c1)c2ccc(\C=N\NC(=O)c(cccc3[N+](=O)[O-])c3)o2,0.0
25358,CO-ADD:0226678,7.43,C1(=NN(C2=O)Cc(cc3)ccc3F)N2C=CN(c4cccc(Cl)c4C)C1=O,0.0
25359,CO-ADD:0225342,7.43,c12n(ccn(nc(c3cc(C)ccc3C)c4)c14)c(nn2)SCC(=O)Nc5cccc(Br)c5,0.0
25360,CO-ADD:0226686,7.43,C1(=N2)N(C=CN(c3cccc(Cl)c3C)C1=O)C(N2Cc4c(cccc4Cl)F)=O,0.0
25361,CO-ADD:0165964,7.43,C(=O)(N\N=C/c1cccc(Br)c1)c2ccc(cc2)COc(cc3)ccc3C,0.0
25362,CO-ADD:0166698,7.43,n1c(ccc(C#N)c1SC\C=C\c2ccccc2)c3ccccn3,0.0
25363,CO-ADD:0165953,7.42,C(=O)(N(C(C)C)C(C)C)C\C(\C)=N/NC(=O)c1cccc(C)c1,0.0
25364,CO-ADD:0215681,7.42,c1(ccc(C)o1)C(c2ccc(C)o2)c3ccc(C)o3,0.0
25365,CO-ADD:0215097,7.42,C(=C\Nc1ccccc1O)(/C2=O)\C(=O)NC(=S)N2,0.0
25366,CO-ADD:0215623,7.42,C(Oc(cccc1C(=O)Nc(cc2)ccc2Cl)c1)(=S)Nc(cc3)ccc3F,0.0
25367,CO-ADD:0215631,7.42,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\c3ccccc3Cl,0.0
25368,CO-ADD:0214961,7.42,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\NC(=O)c3ccc(cc3)O,0.0
25369,CO-ADD:0215333,7.42,c(C#N)(c1c2ccc(cc2)F)c(SCC(=O)NCc3ccccc3)nc(N)c1C#N,0.0
25370,CO-ADD:0226019,7.42,C1(=N2)N(C=CN=C1N3CCCCCC3)C(N2CC(=O)Nc(cccc4C(OC)=O)c4)=O,0.0
25371,CO-ADD:0226803,7.42,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4c(C)ccc(Cl)c4)c(nn1)C(C)C,0.0
25372,CO-ADD:0226859,7.42,N1(c(ccs2)c2C(N3CCCC)=O)C3=NN(CC(=O)c4ccc(cc4C)C)C1=O,0.0
25373,CO-ADD:0226551,7.42,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)SCC(=O)c4cccc(Cl)c4,0.0
25374,CO-ADD:0218780,7.42,c1(c(O)cc(c2c1)cccc2)C(=O)N\N=C(/C)\CC(=O)Nc(ccc(c3Cl)Cl)c3,0.0
25375,CO-ADD:0218387,7.42,c([N+](=O)[O-])(c(C)c(cc1[N+](=O)[O-])[N+](=O)[O-])c1NCC=C,0.0
25376,CO-ADD:0220528,7.42,c1(O)c(OC)cc(cc1OC)\C=N\NC(CNc2cccc(C)c2)=O,0.0
25377,CO-ADD:0219625,7.42,C(=O)(N\N=C\c1cc(Br)ccc1OC)C(=O)Nc2ccc(cc2C)Cl,0.0
25378,CO-ADD:0221909,7.42,[N+](=O)([O-])c1ccc(c(Cl)c1)NC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
25379,CO-ADD:0220772,7.42,c(\C=N\NC(CNc1cccc(C)c1)=O)(cc(OCO2)c2c3)c3Br,0.0
25380,CO-ADD:0220757,7.42,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(=O)c3cc(Br)ccc3O,0.0
25381,CO-ADD:0218924,7.42,C(=O)(N\N=C/c(ccc(c1OC)C)c1)CCSc(cc2)ccc2Cl,0.0
25382,CO-ADD:0226705,7.42,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc(ccc(c4C)C)c4,0.0
25383,CO-ADD:0225687,7.42,C1(=N2)N(C=CN=C1Oc3cccc(C)c3C)C(N2CC(=O)N(CC4)CCN4c5ccc(cc5)F)=O,0.0
25384,CO-ADD:0225453,7.42,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)N(CC5)CCN5c6ccccc6F)=O,0.0
25385,CO-ADD:0225477,7.42,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc(ccc(c5C)C)c5)=O,0.0
25386,CO-ADD:0226626,7.42,C1(=NN(C2=O)Cc3ccccc3F)N2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
25387,CO-ADD:0166124,7.42,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C\c2cc(OC)ccc2O,0.0
25388,CO-ADD:0165846,7.42,[C@@H]1(C[C@@H]2S(=O)\N=C\c(ccc([N+](=O)[O-])c3)c3)[C@@H](C1(C)C)C[C@H]2C,0.0
25389,CO-ADD:0166559,7.42,C(=O)(N\N=C\c1ccccc1OC)C(=O)Nc2cc(C)ccc2C,0.0
25390,CO-ADD:0214971,7.42,C(=O)(N1CCC(CC1)C)C(=O)N\N=C\c(cc2)ccc2OCC,0.0
25391,CO-ADD:0215306,7.42,C(C#N)(=C(N)OC(=C12)CCCC1=O)C2c3cccc(OC)c3,0.0
25392,CO-ADD:0166199,7.42,N(=C(/C)\c(cc1)ccc1C(C)C)/NC(CNc2ccccc2C)=O,0.0
25393,CO-ADD:0166027,7.42,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c2cccc(Br)c2,0.0
25394,CO-ADD:0166215,7.42,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C(/CCC)\c2ccccc2,0.0
25395,CO-ADD:0215805,7.42,c1(cc(ccc1O)Cc(ccc(c2\C=N\c3cccc(O)c3)O)c2)\C=N\c4cccc(O)c4,0.0
25396,CO-ADD:0226791,7.42,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4cccc(Br)c4)c(nn1)C(C)C,0.0
25397,CO-ADD:0226575,7.42,c12n(C=CN(c3ccc(c(C)c3)C)C1=O)c(nn2)SCC(=O)c4ccc(cc4)OCC,0.0
25398,CO-ADD:0219613,7.42,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCC(=O)Nc2ccc(cc2C)I)=O)O)c1,0.0
25399,CO-ADD:0222178,7.42,n1c(ccc(c2)\N=C\c3cc(Br)ccc3O)c2oc1c4ccc(cc4)Cl,0.0
25400,CO-ADD:0222518,7.42,[N+](=O)([O-])c(ccc(c1\C=N\c(ccc(c2Cl)OC)c2)O)c1,0.0
25401,CO-ADD:0222011,7.42,C(=O)(c1ccc(cc1)C)Nc2cccc(c2)OC(COc(ccc(c3C)C)c3)=O,0.0
25402,CO-ADD:0220666,7.42,c1(N(CC2)CCO2)nc(N\N=C(/C)\c(cc3)ccc3[N+](=O)[O-])nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
25403,CO-ADD:0220880,7.42,c1(Nc(cc2)ccc2OC)c(c(C)nc(N\N=C\c3ccc(cc3Cl)Cl)n1)[N+](=O)[O-],0.0
25404,CO-ADD:0220860,7.42,C(NCCCCCC)(=O)c1ccc(cc1)NC(CCCCCCC)=O,0.0
25405,CO-ADD:0226066,7.42,C1(=N2)N(C=CN=C1N(C)CCC)C(N2CC(=O)Nc3cccc(SC)c3)=O,0.0
25406,CO-ADD:0226658,7.41,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc(ccc(c45)OCO4)c5,0.0
25407,CO-ADD:0226426,7.41,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCc4cccc(F)c4,0.0
25408,CO-ADD:0226430,7.41,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCC(=O)Nc4ccc(cc4C)C,0.0
25409,CO-ADD:0226886,7.41,c12n(c3c(cccc3)nc1SCC(=O)Nc4ccccc4Br)c(nn2)CC,0.0
25410,CO-ADD:0225926,7.41,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc4c(OC)cc(c(Cl)c4)OC)C2=O,0.0
25411,CO-ADD:0166129,7.41,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)Br,0.0
25412,CO-ADD:0166332,7.41,C1(Nc(cc2)c(C)cc2[N+](=O)[O-])OC(C)C(C(O)C1O)O,0.0
25413,CO-ADD:0166258,7.41,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccc(cc2Cl)Cl)NC(=O)c3ccc(cc3Cl)Cl,0.0
25414,CO-ADD:0215516,7.41,C(O)(=O)c1ccc(cc1)\C=N\NC(=O)CC(=O)NCC(C)C,0.0
25415,CO-ADD:0215580,7.41,C(=O)(c1ccc(cc1)OC)Oc2cc(ccc2\C=N\c3ccc(cc3C)C)OC(=O)c4ccc(cc4)OC,0.0
25416,CO-ADD:0166261,7.41,S(=O)(=O)(Nc1ccc(cc1C#N)[N+](=O)[O-])c2cccc3c2cccc3S(=O)(=O)Nc4ccc(cc4C#N)[N+](=O)[O-],0.0
25417,CO-ADD:0166249,7.41,c1(O)c(cc(cc1C(C)(C)C)CCC(NCCNC(=O)C(NCCNC(CCc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)=O)=O)=O)C(C)(C)C,0.0
25418,CO-ADD:0215318,7.41,c1(c(nc(N)c(C#N)c1c2cccs2)sc3C(=O)OCc4ccccc4)c3N,0.0
25419,CO-ADD:0226855,7.41,N1(c(ccs2)c2C(N3Cc4ccccc4OC)=O)C3=NN(CC(=O)c5ccc(cc5C)C)C1=O,0.0
25420,CO-ADD:0222731,7.41,[N+](=O)([O-])c1ccc(cc1N\N=C\c(cc2)ccc2N(C)C)Cl,0.0
25421,CO-ADD:0220464,7.41,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2ccc(cc2OC)OC)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
25422,CO-ADD:0219692,7.41,C(=O)(N\N=C(\C)/CC(=O)Nc(cc1)ccc1OC)C(=O)Nc2cccc(Cl)c2C,0.0
25423,CO-ADD:0248704,7.41,O=C1CC[C@]2([C@@]3(CCC4=C([C@]3(CC[C@]12C)[H])C=CC(OCC5=C[N+](CCN6CCNCCCN(CCNCCC6)CC[N+]7=NNC(C8=C9C(C%10=CC=C9)=C(C=C8)C(N(C%10=O)CC)=O)=C7)=NN5)=C4)[H])[H].O=Cl(=O)([O-])=O.O=Cl(=O)([O-])=O.[Zn+2],0.0
25424,CO-ADD:0220995,7.41,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3ccc(cc3OC)Br)=O,0.0
25425,CO-ADD:0226075,7.41,S(=O)(=O)(N(c1ccccc1)Cc2cccc(C)c2)c3cccn(c(nn4)C)c34,0.0
25426,CO-ADD:0226510,7.41,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC#N,0.0
25427,CO-ADD:0226022,7.41,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc(cc4)ccc4C(OC)=O)=O,0.0
25428,CO-ADD:0226442,7.41,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4ccc(cc4)F,0.0
25429,CO-ADD:0226978,7.41,N1(c(ccs2)c2C(N3CCCC)=O)C3=NN(CC(=O)NC(C)CC)C1=O,0.0
25430,CO-ADD:0225578,7.41,N12C(C=CC(Sc3cccc(F)c3)=N1)=NN(CC(=O)Nc(cc4)ccc4Cl)C2=O,0.0
25431,CO-ADD:0226494,7.41,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)c4cccc(OC)c4,0.0
25432,CO-ADD:0225271,7.41,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc3cc(C)ccc3OC)C2=O,0.0
25433,CO-ADD:0225311,7.41,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc(cc5)ccc5OC,0.0
25434,CO-ADD:0226655,7.41,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4c(F)ccc(F)c4,0.0
25435,CO-ADD:0225558,7.41,N12C(C=CC(C(=O)Nc(cc3)ccc3OC)=C1)=NN(CC(=O)Nc4ccccc4C(F)(F)F)C2=O,0.0
25436,CO-ADD:0166314,7.41,[N+](=O)([O-])c1ccc(cc1N\N=C\c(ccc(c2OC)O)c2)Cl,0.0
25437,CO-ADD:0166548,7.41,C(=O)(N\N=C\c1ccc(C)o1)C(=O)Nc2cccc(Cl)c2C,0.0
25438,CO-ADD:0165878,7.41,C(=O)(Nc(cc1)ccc1OCC)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O,0.0
25439,CO-ADD:0166697,7.41,c(C(=O)c1ccc(cc1)Br)(c(N)c(c23)ccc(c4ccccn4)n2)s3,0.0
25440,CO-ADD:0166543,7.41,C12(CC3CC(CC(C3)C1)C2)C(NCCc(cc4)ccc4Cl)=O,0.0
25441,CO-ADD:0215544,7.41,n1(C(=O)c2ccccc2OC)c(c3ccc(cc3)C)c4c(CCCC4)n1,0.0
25442,CO-ADD:0215592,7.41,c1(C(F)(F)F)nc(sc1c2ccc(cc2)Cl)N\N=C\c3cccc(OC)c3,0.0
25443,CO-ADD:0166308,7.41,C(=O)(C(NCCc1ccccc1F)=O)Nc2cccc(Cl)c2Cl,0.0
25444,CO-ADD:0166347,7.41,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)N\N=C\c(cc3)ccc3Cl,0.0
25445,CO-ADD:0166678,7.41,C(C(OCC)=O)(C1c2ccccc2)=C(CSc3nc(C)c(c(C)c3C#N)C)OC(N)=C1C#N,0.0
25446,CO-ADD:0166648,7.41,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c4cccc(c4)OCc5ccccc5,0.0
25447,CO-ADD:0166632,7.4,C(COc1ccccc1CC=C)(=O)N\N=C\c(cc2)ccn2,0.0
25448,CO-ADD:0166584,7.4,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(Oc2ccccc2)Oc3ccccc3,0.0
25449,CO-ADD:0215758,7.4,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)N2CCCC2C(O)=O,0.0
25450,CO-ADD:0215814,7.4,N(C(CCCCCCCCCCC)=O)c1ccc(cc1O)Cc(cc2)cc(c2NC(CCCCCCCCCCC)=O)O,0.0
25451,CO-ADD:0226015,7.4,C1(=N2)N(C=CN=C1N3CCCC(C)C3)C(N2CC(=O)Nc(ccc(c45)OCO4)c5)=O,0.0
25452,CO-ADD:0226600,7.4,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(N)=O,0.0
25453,CO-ADD:0218746,7.4,C(=O)(N\N=C\c1cc(OC)ccc1OC)C(=O)Nc2cccc(Cl)c2,0.0
25454,CO-ADD:0218762,7.4,[N+](=O)([O-])c(cccc1C(=O)N\N=C(/C)\CC(=O)Nc2ccccc2CC)c1,0.0
25455,CO-ADD:0221137,7.4,c1(C(=O)N2c3ccccc3)c(sc(COC(C)(C)C4)c14)n(c25)cnn5,0.0
25456,CO-ADD:0222710,7.4,N1(c(cc2)ccc2\C(\C)=N/NC(=O)c3ccccc3O)C(=O)C(C4C1=O)CCCC4,0.0
25457,CO-ADD:0225602,7.4,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc(cc4)ccc4OC)=O,0.0
25458,CO-ADD:0225514,7.4,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc(ccc(c5Cl)OC)c5)=O,0.0
25459,CO-ADD:0225502,7.4,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5ccc(c(OC)c5)OC)=O,0.0
25460,CO-ADD:0215691,7.4,N1(CO)c2c(OC1=O)cccc2,0.0
25461,CO-ADD:0215707,7.4,s1c(c2ccccc2)nnc1NC(C)=O,0.0
25462,CO-ADD:0215331,7.4,c1(C#N)c(c2ccc(cc2)C)c3c(nc1SCC(=O)OC(C)(C)C)CCCC3,0.0
25463,CO-ADD:0215158,7.4,C1(C#N)(C#N)[C@H](c2ccc(c(OC)c2)OC)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(c5ccccc5)=O,0.0
25464,CO-ADD:0215735,7.4,s1c(c2ccccc2)nnc1NC(CC)=O,0.0
25465,CO-ADD:0221914,7.4,N1(NC(=O)c(cc2)ccc2[N+](=O)[O-])C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
25466,CO-ADD:0220523,7.4,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cccc2[N+](=O)[O-])c2)=O)OC)c1,0.0
25467,CO-ADD:0220327,7.4,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(CNc3cccc(C)c3)=O,0.0
25468,CO-ADD:0219650,7.4,N(c1ccccc1Br)C(CCC(=O)N\N=C\c2cccc(Cl)c2)=O,0.0
25469,CO-ADD:0219592,7.4,c1(\C=N\NC(CCC(=O)Nc2ccc(cc2C)I)=O)c(cccc1Cl)Cl,0.0
25470,CO-ADD:0225674,7.4,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)NCc4cccs4)=O,0.0
25471,CO-ADD:0226730,7.4,N1(c(ccs2)c2C(N3CC(C)C)=O)C3=NN(Cc4cccc(Br)c4)C1=O,0.0
25472,CO-ADD:0225605,7.4,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc(cc4OC)cc(c4OC)OC)=O,0.0
25473,CO-ADD:0226726,7.4,N1(c(ccs2)c2C(N3CCC(C)C)=O)C3=NN(Cc4cc(C)ccc4C)C1=O,0.0
25474,CO-ADD:0217949,7.4,C(=O)(N\N=C\c(cccn1)c1)C(C)Oc2cccc(cccc3)c23,0.0
25475,CO-ADD:0218133,7.4,C(NCCC(c1ccccc1)c2ccccc2)(=O)c3ccc(c(OC)c3)OC,0.0
25476,CO-ADD:0217854,7.4,C12=C(COC1=O)C=C(NC2=O)C,0.0
25477,CO-ADD:0215791,7.4,C(F)(F)(COc1ccccc1NC(=O)c2cccc(F)c2)C(F)F,0.0
25478,CO-ADD:0215807,7.4,c1(c(C)cc(cc1C)C)NC(CCC(=O)N\N=C\c(cc2)ccc2C(OC)=O)=O,0.0
25479,CO-ADD:0218076,7.4,C(=N\NC(=O)c(cccn1)c1)(/c(cc(C)cc2Br)c2N3C)\C3=O,0.0
25480,CO-ADD:0218176,7.4,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/C=C/C)\C2=CCCCC2)[N+](=O)[O-],0.0
25481,CO-ADD:0218672,7.4,C(=O)(N\C(=C\c1ccccc1)\C(=O)N\N=C\c2ccc(cc2OC)OC)c3ccccc3Cl,0.0
25482,CO-ADD:0220299,7.4,c1(c2cccc(c2)\N=C\c3cc(C)cc(I)c3O)oc4c(ccc(C)c4)n1,0.0
25483,CO-ADD:0219839,7.4,N(c(cccc1)c1C(O2)=O)=C2c3ccccc3,0.0
25484,CO-ADD:0219771,7.4,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c2ccccc2OCCCCC)[N+](=O)[O-],0.0
25485,CO-ADD:0220834,7.4,c(Nc1ccccc1)(nc(N\N=C\c2cc(Br)ccc2OC)nc3Nc(cc4)ccc4OC)n3,0.0
25486,CO-ADD:0220347,7.4,c1(\C=N\NC(CNc(cc2)ccc2C)=O)c(C)cc(cc1O)O,0.0
25487,CO-ADD:0219796,7.4,N(=C\c(cc1)ccc1N(CC)CC)/NC(CCCc(cc2)ccc2OC)=O,0.0
25488,CO-ADD:0220734,7.4,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O,0.0
25489,CO-ADD:0226770,7.4,N1(c(ccs2)c2C(N3C)=O)C3=NN(Cc(cc4)ccc4Cl)C1=O,0.0
25490,CO-ADD:0214901,7.39,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc(cc4)ccc4OC,0.0
25491,CO-ADD:0165887,7.39,C(=O)(N\N=C\c1cccc(OC)c1)C(NCCc2ccccc2)=O,0.0
25492,CO-ADD:0165897,7.39,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C/c(ccc(c2OC)OCc3ccccc3)c2,0.0
25493,CO-ADD:0166433,7.39,C(F)(F)(C(F)(F)COc(cc1)c(cc1C(F)(F)F)\N=C\c2cc(Br)ccc2O)C(F)(F)C(F)F,0.0
25494,CO-ADD:0165882,7.39,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)N(CC)CC,0.0
25495,CO-ADD:0166512,7.39,C(=O)(N\N=C\c1ccccc1OCc(cc2)ccc2Cl)c3cccc(Br)c3,0.0
25496,CO-ADD:0165916,7.39,C(=O)(C\C(\C)=N\NC(COc(cc(C)c(c1)Br)c1Br)=O)Nc2c(OC)ccc(OC)c2,0.0
25497,CO-ADD:0215839,7.39,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c12)cccc1)c2)C(NCCO)=O,0.0
25498,CO-ADD:0226533,7.39,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCc4ccccc4,0.0
25499,CO-ADD:0218786,7.39,N(/c(cc1)ccc1Sc(cc2)ccc2\N=C\c3ccccc3)=C\c4ccccc4,0.0
25500,CO-ADD:0218776,7.39,C(COc1cccc(Cl)c1)(=O)N\N=C/c2ccc(cc2OC)OC,0.0
25501,CO-ADD:0219626,7.39,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2C(C)C,0.0
25502,CO-ADD:0220534,7.39,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(CNc(cc3)ccc3C)=O,0.0
25503,CO-ADD:0222210,7.39,c1(c2ccc(c3c2)cccc3)oc4c(ccc(c4)\N=C\c5cc(OCO6)c6cc5[N+](=O)[O-])n1,0.0
25504,CO-ADD:0220649,7.39,C(=N\NC(COc1cccc(Br)c1)=O)(/c(cccc2C)c2N3)\C3=O,0.0
25505,CO-ADD:0220447,7.39,c(Nc(ccc(c1C)C)c1)(nc(N\N=C(\C)/c2ccc(cc2)NC(C)=O)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
25506,CO-ADD:0221960,7.39,s1c(CC)nnc1N,0.0
25507,CO-ADD:0226046,7.39,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4)C(N2CC(=O)Nc5c(C)cc(cc5C)C)=O,0.0
25508,CO-ADD:0226025,7.39,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc4ccc(cc4F)Cl)=O,0.0
25509,CO-ADD:0259921,7.39,c1(SCC(=O)Nc2ccccc2OC)sc3c(ccc(c3)\N=C\c4c(cccc4F)Cl)n1,0.0
25510,CO-ADD:0258413,7.39,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc4c(cccc5[N+](=O)[O-])c5)o4)\C1=O,0.0
25511,CO-ADD:0283713,7.39,C1(Cc(cc2)ccc2N(C)C)C(=O)c3c(cccc3)C1=O,0.0
25512,CO-ADD:0259111,7.39,s1c(c(cc2)ccc2C(C)(C)C)nnc1NC(CC(C)C)=O,0.0
25513,CO-ADD:0258820,7.39,C(SCC(CS1)O)(SC(S2)=S)=C12,0.0
25514,CO-ADD:0258726,7.39,c1(nnc(COc(cc2)ccc2C(C)(C)C)s1)NC(=O)c3ccc(cc3)C,0.0
25515,CO-ADD:0283303,7.39,n1(nnc(C(=O)OC(C)C)c1CSc2oc(c3n2)cccc3)c4nonc4N,0.0
25516,CO-ADD:0283495,7.39,S(Cl)(=O)(=O)c(c(Cl)cc(c1C(O)=O)Cl)c1,0.0
25517,CO-ADD:0278543,7.39,c(cc1)ccc1N(C(c2ccc(cc2)Cl)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5)C3=S,0.0
25518,CO-ADD:0259490,7.39,C(/C1)(=C/c(cccn2)c2)\C(=O)\C(\CC1C(C)(C)C)=C\c(cccn3)c3,0.0
25519,CO-ADD:0284842,7.39,c1(SCC(=O)Nc2ccccc2C(F)(F)F)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
25520,CO-ADD:0291671,7.39,c(c1c(s2)CCCC1)(C3=O)c2N=C(C)N3NC(=O)CCBr,0.0
25521,CO-ADD:0299402,7.39,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4,0.0
25522,CO-ADD:0287525,7.39,c1(n2)c(ccc(NC(=O)c3cccs3)c1)ns2,0.0
25523,CO-ADD:0287750,7.39,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5ccc(c6c5)OCO6)C7=C2CCCC7=O)C#N,0.0
25524,CO-ADD:0286227,7.39,c12c(nnc(SCC(=O)N3CCCc(cccc4)c34)n1)c(c5n2C(C)C)cccc5,0.0
25525,CO-ADD:0287711,7.39,N1(c2ccccc2)C(=O)c3c(N=C1SCCN(CC4)CCN4c5ccc(cc5[N+](=O)[O-])C(F)(F)F)cccc3,0.0
25526,CO-ADD:0278872,7.39,c(OC(=O)C=C1C)(c2C)c1cc3c2occ3c4ccc(cc4)C,0.0
25527,CO-ADD:0279032,7.39,N1(C(C)=O)C(c2ccccc2)C(C3=N1)COC(C)(C)C3,0.0
25528,CO-ADD:0278392,7.38,c(C(=O)c1ccc(cc1)Cl)(sc(c23)nc(c(CC)c2C)C)c3N,0.0
25529,CO-ADD:0278865,7.38,c1(sc(c2c1C(OCC)=O)CCCC2)\N=C(\c(cccc3)c3CC45CCCCC4)/N5,0.0
25530,CO-ADD:0283067,7.38,c1(nnc(\C=C\c2ccccc2)s1)NC(=O)c3ccccc3Cl,0.0
25531,CO-ADD:0283091,7.38,C(C#N)(C(c1ccccc1Cl)C2C(OC)=O)=C(SCC(=O)Nc(cc3)ccc3Br)NC2=O,0.0
25532,CO-ADD:0257446,7.38,C1=C(NCc2ccco2)C3(OC1=O)CCCCC3,0.0
25533,CO-ADD:0257790,7.38,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(ccc(c3OC)OC)c3)\N2,0.0
25534,CO-ADD:0257998,7.38,n1(C)cnnc1SCC(=O)Nc2cccc(cccc3)c23,0.0
25535,CO-ADD:0258016,7.38,N1(c2ccc(c(Cl)c2)Cl)C(=O)CC(N(CC3)CCC3C(OCC)=O)C1=O,0.0
25536,CO-ADD:0284491,7.38,c1(NC(COC(=O)\C=C\c2ccco2)=O)sc3c(ccc(OC)c3)n1,0.0
25537,CO-ADD:0283292,7.38,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)S\C(\NCC)=N\c3ccccc3,0.0
25538,CO-ADD:0278775,7.38,n12c(S\C(=C/c3cccc(F)c3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
25539,CO-ADD:0278567,7.38,n1(Cc(cc2)ccc2C(=O)O\N=C(\C)/c3ccccn3)c(C)c(c(C)n1)Cl,0.0
25540,CO-ADD:0284083,7.38,C(=O)(Nc(cc1)ccc1C(O)=O)C2C(C(=O)OCC(F)(F)C(F)F)C3CC2C=C3,0.0
25541,CO-ADD:0278962,7.38,N(CC=C(C1=O)C)(C(C)(C)C)C1.Br,0.0
25542,CO-ADD:0284108,7.38,c1(C(OCC)=O)c(C)oc(cc(Br)c(OC(C)=O)c2)c12,0.0
25543,CO-ADD:0283381,7.38,N(=C1SCC(=O)Nc2cccc(Cl)c2)C(=O)C(C(=O)N1)Cc3ccccc3,0.0
25544,CO-ADD:0278120,7.38,C1(=Cc(cc(Br)cc2Br)c2OC1=O)C(=O)N3CCSC3c4cccc(Cl)c4,0.0
25545,CO-ADD:0277533,7.38,N1(c(ccc(c2s3)nc3SCC(=O)Nc4c(C)cc(cc4C)C)c2)C(=O)c(c5C1=O)cccc5,0.0
25546,CO-ADD:0259573,7.38,c1(SCc(cc2)ccc2[N+](=O)[O-])sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
25547,CO-ADD:0259607,7.38,c1(SCC(=O)Nc2ccc(cc2C)C)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
25548,CO-ADD:0260144,7.38,S(C)(=O)(=O)N(c1ccc(cc1)OC)C(C)C(=O)N\N=C(/CCC2)\C2,0.0
25549,CO-ADD:0260168,7.38,N1(c2ccccc2)CC(CC1=O)C(=O)Nc3ccccc3C(OCC)=O,0.0
25550,CO-ADD:0258735,7.38,C1(O)(c2c(NC1=O)cccc2)C3CCc(c4C3=O)ccc(OC)c4,0.0
25551,CO-ADD:0258751,7.38,c1(NC(=O)CC2c3ccccc3OCCC)c2ccc(cccc4)c14,0.0
25552,CO-ADD:0284421,7.38,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2[N+](=O)[O-])CC(=O)N(CC3)CCO3,0.0
25553,CO-ADD:0278878,7.38,c12c(ccc(OC(CC)=O)c1C)C3=C(C(=O)O2)CCC3,0.0
25554,CO-ADD:0258776,7.38,C(=C\c1cc(Br)cc(I)c1O)(/C2=O)\Sc(c23)cccc3,0.0
25555,CO-ADD:0278251,7.38,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(cc4OC)cc(c4OC(C)=O)OC)\C1=O,0.0
25556,CO-ADD:0278155,7.38,c1(NC(COC(CSc2nc(c3ccccc3)cc(c4ccccc4)n2)=O)=O)sc(c5c1C#N)CCCC5,0.0
25557,CO-ADD:0283809,7.38,S(=O)(=O)(c(ccc(c1C(=O)Oc(cccc2NC(=O)c3ccc(cc3)OC)c2)Cl)c1)N(CC4)CCO4,0.0
25558,CO-ADD:0284743,7.38,C(=C\c1ccc(cc1Cl)Cl)(/C(C)=NN2c(ccc(c3C(O)=O)Cl)c3)\C2=O,0.0
25559,CO-ADD:0284697,7.38,C(CCCC)(CC(=O)Nc(cc1)ccc1F)(C(=O)N(N2c3ccccc3)c4ccccc4)C2=O,0.0
25560,CO-ADD:0284922,7.38,c1(NC(COC(CSc2nc(c3ccccc3)cc(c4ccccc4)n2)=O)=O)nnc(C)s1,0.0
25561,CO-ADD:0288951,7.38,n12c(cc(C)n1)c3c(Oc(c4)c2ccc4S(N)(=O)=O)ccc(Cl)c3,0.0
25562,CO-ADD:0289169,7.38,C(=O)(OC(C)(C)C)N(CCC1(CC)C(O)=O)CC1,0.0
25563,CO-ADD:0288736,7.38,c1nc([N+](=O)[O-])cn1Cc2sc(nn2)C(Nc3ccc(F)cc3)=O,0.0
25564,CO-ADD:0288752,7.38,c1(n(c(nc1)C(C2)CN2C(c3oc([N+](=O)[O-])cc3)=O)CCC)C,0.0
25565,CO-ADD:0289019,7.38,c1(C(=O)Nc2cccc(Cl)c2)sc(nn1)COCC(O)=O,0.0
25566,CO-ADD:0288609,7.38,C(=O)(OC(C)(C)C)N(CC1)CC(C1)Cn2c(C)cnc2c(ccc3)cn3,0.0
25567,CO-ADD:0288562,7.38,n(CC(CCN1C(=O)OC(C)(C)C)CC1)(c(C)cn2)c2C,0.0
25568,CO-ADD:0288786,7.38,C12(CCN(CC1)C(c3oc([N+](=O)[O-])cc3)=O)CC(CCO2)OCC4CC4,0.0
25569,CO-ADD:0288669,7.38,C(=O)(OC(C)(C)C)N1CCCCC1c(n(C2CCC2)c3C)nc3,0.0
25570,CO-ADD:0289192,7.38,c1(Cl)cc(F)ccc1COC(CN2)C2.Cl,0.0
25571,CO-ADD:0289091,7.38,c1(sc(nc1C)C)C(=O)N2CCC(CC2)CC(O)=O,0.0
25572,CO-ADD:0283148,7.38,c12c(cc(N3CCCCC3)cc1N4CCCCC4)C(c(cccc5)c5C2=O)=O,0.0
25573,CO-ADD:0283323,7.38,N1(c(ccc(c2NC(c3ccccc3)=O)OC)c2)C(=O)c(c4C1=O)ccc(C(O)=O)c4,0.0
25574,CO-ADD:0283990,7.38,C(C(OCCSCC)=O)(C1c2ccc(cc2)CC)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
25575,CO-ADD:0283349,7.37,S(c1ccccc1)(=O)(=O)c2c(O)ccc(O)c2,0.0
25576,CO-ADD:0279149,7.37,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c3cc(Br)ccc3OC)\N2C4CCCC4,0.0
25577,CO-ADD:0283342,7.37,c1(SCC(=O)Nc(cccc2C(F)(F)F)c2)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
25578,CO-ADD:0284802,7.37,P(C)(=O)(c1ccc(cc1)C)c2ccc(cc2)C,0.0
25579,CO-ADD:0257946,7.37,N1(c2ccccc2C)C(=O)\C(=C\c(cc(n3c4ccc(cc4)C)C)c3C)\C(NC1=S)=O,0.0
25580,CO-ADD:0259047,7.37,N1(Cc(cc2)ccc2Cl)\C(=N\c(cc3)ccc3F)\SC=C1c(cc4)ccc4[N+](=O)[O-].Br,0.0
25581,CO-ADD:0257211,7.37,c1(sc(c(c2ccc(cc2)OC(c3ccccc3)=O)n1)CC)N4C(c5ccc(c(OC)c5)OC)CC(c6cccs6)=N4.Br,0.0
25582,CO-ADD:0257756,7.37,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(cc3)ccc3OCC(C)C)\N2,0.0
25583,CO-ADD:0257564,7.37,C(=O)(c1ccc(cc1)NC(=O)CN(CC2)CCO2)NC(C)(C)C,0.0
25584,CO-ADD:0283343,7.37,N1(CC(=O)NCc(cc2)ccc2C(O)=O)C(=O)c3c(cccc3)C1=O,0.0
25585,CO-ADD:0278984,7.37,N1(C)C(=O)\C(\SC1=S)=C/c(cc2)ccc2C(O)=O,0.0
25586,CO-ADD:0279008,7.37,N1(C(C)(C)C)C(=O)c(c2C1=O)ccc(c2)C(=O)Nc3sccn3,0.0
25587,CO-ADD:0283338,7.37,N1(CSc(nnc(c23)c(c4n2C(C)C)cccc4)n3)C(=O)c5c(cccc5)C1=O,0.0
25588,CO-ADD:0283378,7.37,c1(CC(=O)Nc(cc2)ccc2C)[nH]c(c3c1Sc4ccccc4)cccc3,0.0
25589,CO-ADD:0283716,7.37,N#CCc(ccc(c1OCC)OCC)c1,0.0
25590,CO-ADD:0259624,7.37,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
25591,CO-ADD:0259473,7.37,N(\C(=C/c(ccc1c2ccc(cc2Cl)Cl)o1)\C(O3)=O)=C3c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
25592,CO-ADD:0260170,7.37,N1(c2ccc(c(Cl)c2)F)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
25593,CO-ADD:0259510,7.37,C(=O)(Nc(cc(C)cc1C)c1)C(=O)NCc(ccc(c23)OCO2)c3,0.0
25594,CO-ADD:0258865,7.37,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(cc3)ccc3N(C)C)\N2,0.0
25595,CO-ADD:0278811,7.37,N1(c2ccccc2OC)C(=O)c3c(cccn3)C1=O,0.0
25596,CO-ADD:0278919,7.37,n1(nnc(C(OCC)=O)c1CSc(nnc(c23)c4c(cccc4)n2CC=C)n3)c5nonc5N,0.0
25597,CO-ADD:0257997,7.37,N(C(=O)c1ccco1)(C(C(OCC)=O)=C(N2C(=O)c3ccco3)C)C2=O,0.0
25598,CO-ADD:0257635,7.37,N1(Cc(cc2)ccc2C(O)=O)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
25599,CO-ADD:0283976,7.37,C(C(OCCc1ccccc1)=O)(C2c(cc3)ccc3N(C)C)=C(C)NC(CC(c4ccc(cc4)OC)CC5=O)=C25,0.0
25600,CO-ADD:0284745,7.37,n(c1c(n2)cccc1)(c3N)c2c(c(c(ccc(c4[N+](=O)[O-])N5CCC(CC5)C)c4)c3C#N)C#N,0.0
25601,CO-ADD:0284173,7.37,N1(c2ccccc2F)C(=O)C(CC1=O)SC(=N)N3C(c4ccc(cc4)Br)CC(c5ccc(cc5)C)=N3,0.0
25602,CO-ADD:0287598,7.37,c(c(Cl)cn1)(n1C)C(=O)Nc(cccn2)c2,0.0
25603,CO-ADD:0290463,7.37,[N+](CCCCCC[N+](=O)[O-])(=O)[O-],0.0
25604,CO-ADD:0289082,7.37,c1(C(=O)Nc(ccc2C(OCC)=O)cc2)sc(nn1)COCC(O)=O,0.0
25605,CO-ADD:0288530,7.37,n1(CC2CC2)c(C)cnc1CC(CCN3)C3.Cl.Cl,0.0
25606,CO-ADD:0285896,7.37,S(=O)(=O)(c1ccc(cc1)C)CC(C)(O)c2ccccc2,0.0
25607,CO-ADD:0288689,7.37,C(=O)(OC(C)(C)C)N(CCCC1c(n(C2CCOCC2)c(c3)C)n3)C1,0.0
25608,CO-ADD:0289100,7.37,N(CC1)(CCC1(C)C(O)=O)C(=C)CC(C)(C)C,0.0
25609,CO-ADD:0288626,7.37,n1(c(ncc1C)C2CC2)C(C3)CN(C(OC(C)(C)C)=O)C3,0.0
25610,CO-ADD:0289389,7.37,c1(C(=O)N(CCCC2C(=O)N3CCCC3)C2)nn(c(CCN4)c1C4)C.Cl,0.0
25611,CO-ADD:0283358,7.37,C(c1ccccc1)(c2ccccc2)(CCN(CC3)CCN3)C#N.Cl.Cl,0.0
25612,CO-ADD:0279143,7.37,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OCC(=O)Nc5cc(C)ccc5C)c4)\C1=O,0.0
25613,CO-ADD:0283368,7.36,c1(CN(CC2)CCO2)c3c(oc1C(OCC)=O)cccc3.Cl,0.0
25614,CO-ADD:0279191,7.36,N1(c2ccc(cc2)F)C(=O)CC(N(Cc(ccc(c34)OCO3)c4)C(=O)\C=C\C(O)=O)C1=O,0.0
25615,CO-ADD:0279208,7.36,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4cccc(C)c4)c3)\N2C5CCCC5,0.0
25616,CO-ADD:0283761,7.36,c12n(ncn1N)c(nn2)SCC(=O)Nc3nnc(SCC(=O)Nc(cc4)ccc4Cl)s3,0.0
25617,CO-ADD:0137585,7.36,CN1C=C(NC(C2=CC(NC(C3=CN=C(/C=C/C4=CC=C(OC)C=C4)C=C3)=O)=CN2C)=O)C=C1C(NCCN5CCC(OC)CC5)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
25618,CO-ADD:0137578,7.36,O=C(NCCN1CCOCC1)C2=C(CCC3=CC=CC=C3)SC(NC(C4=CC(NC(C5=CC=C(OC)C=C5)=N)=CN4C)=O)=N2,0.0
25619,CO-ADD:0257229,7.36,C(NCCSc1ccccn1)(=O)c(cc2)ccc2C(C)(C)C,0.0
25620,CO-ADD:0258666,7.36,n1(c2c(n3)cccc2)c3S\C(=C\c(cc(OC)c(c4)OCC)c4Br)\C1=O,0.0
25621,CO-ADD:0257469,7.36,n1c[nH]nc1SCC(=O)NC(c2ccccc2)c3ccccc3,0.0
25622,CO-ADD:0257853,7.36,C(C(OCC)=O)(=C1C)\C(=C\c2ccccc2OCc3ccccc3)\C(N1c4ccccc4)=O,0.0
25623,CO-ADD:0259735,7.36,n(Cc1ccccc1Cl)(c2c(c3\C=C(/C#N)\c4[nH]c(c5n4)ccc(C)c5)cccc2)c3,0.0
25624,CO-ADD:0259148,7.36,N(c1c(OC)ccc(OC)c1)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
25625,CO-ADD:0278557,7.36,c1(NC(CSC2=NC(C)=CC(=O)N2)=O)sc(c(ccc3C(OC)=O)n1)c3,0.0
25626,CO-ADD:0278565,7.36,N1(C2c3cccs3)C(S\C(=C\c4cccc(Cl)c4Cl)\C1=O)=NC(C)=C2C(OCC)=O,0.0
25627,CO-ADD:0277629,7.36,c1(NC(=O)c2ccccc2F)nnnn1C,0.0
25628,CO-ADD:0278450,7.36,N1(CC(C)C)\C(=N\c(cccc2C(F)(F)F)c2)\SC=C1c3ccc(cc3)C.Br,0.0
25629,CO-ADD:0278587,7.36,C(F)(F)(C(F)(F)F)C(F)(F)C(=O)\C=N\Nc1ccccc1,0.0
25630,CO-ADD:0278310,7.36,C1(=NC(=O)NC2=O)C2=Cc(cccc3)c3N1c4ccccc4F,0.0
25631,CO-ADD:0257406,7.36,c1(C2)c(CCN2C(=O)c3ccco3)c4c(cccc4)[nH]1,0.0
25632,CO-ADD:0279089,7.36,c1(C(=O)Nc2sc(c3c2C(OCC)=O)CCCC3)cn(nc1C45CC6CC(CC(C6)C4)C5)c7ccccc7,0.0
25633,CO-ADD:0258788,7.36,C1(C(=O)OCc(cc2)ccc2C)=C(C)NC(NC1c3cccc(Br)c3)=O,0.0
25634,CO-ADD:0278784,7.36,n1c(O)c(O)nc(ccc(C)c2C)c12,0.0
25635,CO-ADD:0278753,7.36,c1(nnc(Cc(ccc(c2OC)OC)c2)s1)NC(=O)c3ccccc3F,0.0
25636,CO-ADD:0277453,7.36,n1c(c(cc2)ccc2C(O)=O)[nH]c(c3c(cccc3)c(cccc4)c45)c15,0.0
25637,CO-ADD:0259219,7.36,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccccc3,0.0
25638,CO-ADD:0287435,7.36,C(C#N)(C(c1ccc(c(O)c1)OC)C2=C(N3c4ccccc4C#N)CC(C)(C)CC2=O)=C3N,0.0
25639,CO-ADD:0287484,7.36,[N+](=O)([O-])c1cc(ccc1OC)CSc2sc3c(ccc(c3)\N=C\c(cc4)ccc4Br)n2,0.0
25640,CO-ADD:0248032,7.36,C1(C(NCCO)=O)=Cc2c(OC1=O)ccc(Br)c2,0.0
25641,CO-ADD:0249032,7.36,c1(N\N=C(/C)\c(cccc2[N+](=O)[O-])c2)sc(c3n1)cccc3,0.0
25642,CO-ADD:0247781,7.36,C(NCCN1CCCCC1)(=O)Nc(cc2)ccc2OCCCCCCCCCC,0.0
25643,CO-ADD:0249056,7.36,C(=C/c(ccc(c1OC)OC)c1)(/C(=O)NN2c(cc3)ccc3C(OCC)=O)\C2=O,0.0
25644,CO-ADD:0249274,7.36,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)\N=C\c4cc(I)ccc4O)n1,0.0
25645,CO-ADD:0254980,7.36,s1c(c(cccn2)c2)nnc1NC(=O)c3ccccc3C,0.0
25646,CO-ADD:0258860,7.36,S(c1ccccc1)(=O)(=O)N(CC(NCCSc2sc(c3n2)cccc3)=O)c4ccc(cc4C)C,0.0
25647,CO-ADD:0257720,7.36,C(C(O)=O)(C1c2ccccc2)C(C1C(OCCCCC)=O)c3ccccc3,0.0
25648,CO-ADD:0257280,7.36,S(=O)(=O)(N(CC(C)C)CC(C)C)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c(ccc(c2[N+](=O)[O-])N(CC3)CCN3Cc4ccccc4)c2,0.0
25649,CO-ADD:0258048,7.36,N(c1ccc(cc1[N+](=O)[O-])OC)(C(=O)C(C23)C(C)(C=C4)OC24C)C3=O,0.0
25650,CO-ADD:0277459,7.36,S(C)(=O)(=O)N(CC1)CCN1CCNC(=O)C(=O)Nc(cc2)ccc2OCC,0.0
25651,CO-ADD:0278914,7.36,N1(C(=O)c2ccc(cc2)N)N=C(CC1(O)c3ccc(cc3)Cl)C,0.0
25652,CO-ADD:0283670,7.36,C1(C(OCCSC)=O)=C(C)NC(=O)NC1c2ccc(cc2)F,0.0
25653,CO-ADD:0283973,7.36,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)OC)C3c5cc6c(cc5Cl)OCO6,0.0
25654,CO-ADD:0284082,7.36,N1(CC(OCC)=O)\C(=N\c(cc2)ccc2F)\SC=C1c3cc(C)ccc3C.Br,0.0
25655,CO-ADD:0278945,7.36,N1(c2cccc(OC)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccc(cc4C(O)=O)Br,0.0
25656,CO-ADD:0283186,7.36,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(C)=O)F,0.0
25657,CO-ADD:0257305,7.36,s1c(C)ccc1\C=N\c(cc2)ccc2Nc3ccccc3,0.0
25658,CO-ADD:0258049,7.36,C(=N/c1cccc(Cl)c1Cl)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4ccccc4Cl)\N2,0.0
25659,CO-ADD:0257634,7.36,N1(c2ccc(cc2)OC)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cc(Cl)ccc4C(O)=O,0.0
25660,CO-ADD:0259931,7.36,N12C(S\C(=C\c(ccc3c(cc4)ccc4C(O)=O)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5c(OC)ccc(cccc6)c56,0.0
25661,CO-ADD:0257651,7.35,N1(CC2CCCO2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4sccn4,0.0
25662,CO-ADD:0259348,7.35,c1(nnc(CSCc2ccccc2)s1)NC(=O)c3cccs3,0.0
25663,CO-ADD:0279116,7.35,C(=O)(c1ccc(cc1)Br)Nc2c(C)cc(c(C)c2)O,0.0
25664,CO-ADD:0259048,7.35,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(cc3)F)\N2CCO.Br,0.0
25665,CO-ADD:0284811,7.35,[C@H]1(C(=O)NNC(=S)NC(=O)c2ccccc2F)C[C@@H]1c3ccccc3,0.0
25666,CO-ADD:0283952,7.35,N1(Cc2ccccc2)C(=S)NN=C1c3ccc(cc3)OC,0.0
25667,CO-ADD:0254733,7.35,c1(C2CC(=O)Nc3c2ccc(c34)cccc4)c(C)nn(c5ccccc5)c1Cl,0.0
25668,CO-ADD:0252486,7.35,N(=C\c1cccc(O)c1)/c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c4cccc(O)c4,0.0
25669,CO-ADD:0254580,7.35,c1(\N=C\c(cc2)ccc2O)sc(c3n1)CCCC3,0.0
25670,CO-ADD:0252971,7.35,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)Br,0.0
25671,CO-ADD:0254656,7.35,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c5ccc(cc5)I)n4.Br,0.0
25672,CO-ADD:0247768,7.35,C(=O)(C(=O)NCc1ccco1)Nc2ccccc2CC,0.0
25673,CO-ADD:0254317,7.35,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
25674,CO-ADD:0247869,7.35,c1(c2ccccc2Cl)nnc(NC(=O)c3ccc(cc3)Cl)s1,0.0
25675,CO-ADD:0252392,7.35,c1(N(CC2)CCO2)nc(N\N=C/c(cc3OC)cc(c3OCC)I)nc(Nc4c(Br)cc(c(Cl)c4)C)n1.Cl,0.0
25676,CO-ADD:0247676,7.35,C(CCC#N)(CCC#N)(C(C)=O)C(CCC#N)(CCC#N)C(C)=O,0.0
25677,CO-ADD:0252921,7.35,n12c(S\C(=C\c(ccc(c3OC)OCC)c3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
25678,CO-ADD:0252217,7.35,N1(c2ccc(cc2)NC(=O)c3ccc(cc3)C)C(=O)c4c(c5C1=O)c(ccc4)ccc5,0.0
25679,CO-ADD:0283513,7.35,C(C(OCC)=O)(=C1C)\C(=C\c(ccc(c2OCC)OCCC)c2)\C(N1c3ccc(c(C)c3)C)=O,0.0
25680,CO-ADD:0283577,7.35,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)NCC4CCCO4)c1Br,0.0
25681,CO-ADD:0283482,7.35,n1c(N)sc(C)c1c2ccc(cc2)OC,0.0
25682,CO-ADD:0283554,7.35,N1(C(=O)c2ccc(cc2)C)N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
25683,CO-ADD:0283578,7.35,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c1Br,0.0
25684,CO-ADD:0279139,7.35,n1(c2c(n3)cccc2)c3S\C(=C/c(cc(n4c5ccc(cc5)Br)c6ccccc6)c4c7ccccc7)\C1=O,0.0
25685,CO-ADD:0277340,7.35,N1(c2ccccc2)C(C(SC1=S)(C)C)\[N+](\[O-])=C\c(cc3)ccc3SC,0.0
25686,CO-ADD:0277606,7.35,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)S\C(\NC)=N\c3ccccc3,0.0
25687,CO-ADD:0277566,7.35,C(C#N)(C(c1ccccc1[N+](=O)[O-])C2C(OCC)=O)=C(SCC(=O)Nc(cc3)ccc3Br)NC2=O,0.0
25688,CO-ADD:0259371,7.35,c1(OC(N)=C(C2c3ccc(c4c3)OCO4)C#N)c2c(n[nH]1)CCC,0.0
25689,CO-ADD:0277616,7.35,c1(NC(=O)c2cc(OC)cc(OC)c2)sc(c3c1C(OCC)=O)CCCC3,0.0
25690,CO-ADD:0283841,7.35,C(=O)(N\N=C\c1cccc(OCC=C)c1)C(NCCCOC)=O,0.0
25691,CO-ADD:0284585,7.35,C(=N/c(cc1)ccc1OCC)(/SC=C2c3ccc(cc3)C)\N2C.Br,0.0
25692,CO-ADD:0284409,7.35,c1(cc(ccc1N(CC2)CCN2C(=O)NC3CCCCC3)C(F)(F)F)[N+](=O)[O-],0.0
25693,CO-ADD:0284643,7.35,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1\N=C\c(cc(c3Br)Br)s3,0.0
25694,CO-ADD:0257970,7.35,C(O)(ON=C1c2ccccc2O)(C1)C(F)(F)F,0.0
25695,CO-ADD:0278136,7.35,C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)([N+](=O)[O-])c(nc(NCCN)nc1C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])n1,0.0
25696,CO-ADD:0284069,7.35,N(NC(=O)c(cccn1)c1)(C(=O)C(C2C3(Br)c(c45)cccc4)C5(Br)c6c3cccc6)C2=O,0.0
25697,CO-ADD:0279213,7.34,N1(c(cc2)ccc2C(OC)=O)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
25698,CO-ADD:0277867,7.34,c1(C2=O)c(sc(CN3Cc4ccccc4)c1CC3)NC(=S)N2c5ccccc5,0.0
25699,CO-ADD:0257368,7.34,c1(C#N)c2c(sc1\N=C\c(ccc(c3OC)OCC(OCC)=O)c3)CCCC2,0.0
25700,CO-ADD:0255017,7.34,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5OC)cc(c5OC)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
25701,CO-ADD:0248040,7.34,c12c(NC(CN=C1c3ccc(cc3)Cl)=O)c4c(cccc4)o2,0.0
25702,CO-ADD:0254604,7.34,n1c(c(cc2)ccc2[N+](=O)[O-])csc1Nc(ccc(c34)OCO3)c4.Br,0.0
25703,CO-ADD:0247809,7.34,C(=O)(C(c1ccccc1)c2ccccc2)NC(CC(C)CC3(C)C)C3,0.0
25704,CO-ADD:0247803,7.34,C12(CC(OC1=O)=O)Oc(c3O2)cccc3,0.0
25705,CO-ADD:0254825,7.34,c1([C@@]2([H])c3ccccc3[N+](=O)[O-])c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
25706,CO-ADD:0247490,7.34,C(/c1c2cccc1)(\c3c2cccc3)=N\N=C(/C)\c(cc(C)cc4\C(\C)=N\N=C(/c5c6cccc5)\c7c6cccc7)c4O,0.0
25707,CO-ADD:0247980,7.34,N1(C2c3ccccc3)C(S\C(=C\c(ccc4c(c(C)ccc5[N+](=O)[O-])c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
25708,CO-ADD:0252820,7.34,c1(c(C)c(s2)C)c2NC(=S)N(C)C1=O,0.0
25709,CO-ADD:0247800,7.34,c1(c(O)ccc(cccc2)c12)\C=N\c(cc3)ccc3c(cn4)cnc4c5ccccc5,0.0
25710,CO-ADD:0249127,7.34,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n1,0.0
25711,CO-ADD:0247340,7.34,c1(N2CCCCC2)nc(N\N=C\c(ccc3c4ccc(cc4)Cl)o3)nc(Nc(cc5)ccc5F)n1,0.0
25712,CO-ADD:0283380,7.34,N(=C1SCC(=O)Nc2ccc(cn2)Br)C(=O)C(C(=O)N1)Cc3ccccc3,0.0
25713,CO-ADD:0283311,7.34,n(c1ccc(cc1)Cl)(c2C)c(C)cc2\C=C(\NC(N3)=O)/C3=O,0.0
25714,CO-ADD:0283949,7.34,c1(SC(C)C(=O)Nc2sccn2)nnnn1c3ccccc3,0.0
25715,CO-ADD:0284710,7.34,S(=O)(=O)(c(cccc1C(=O)Nc2nnc(C)s2)c1)N3CCCCCC3,0.0
25716,CO-ADD:0284904,7.34,c1(c2c([nH]c1C)cccc2)C(c(cc3)ccc3[N+](=O)[O-])c4c5c([nH]c4C)cccc5,0.0
25717,CO-ADD:0284656,7.34,c(c1c(n2Cc3ccccc3)cccc1)(c2)C4Nc(ccc(c56)cccc5)c6C(CC(C)(C)CC7=O)=C47,0.0
25718,CO-ADD:0257556,7.34,c1(SCC(=O)Nc2ccccc2C#N)[nH]c(c3n1)ccc(C)c3,0.0
25719,CO-ADD:0257788,7.34,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c3ccccc3O)\N2,0.0
25720,CO-ADD:0284211,7.34,C(C1Cl)(c2c3ccc(Br)c2)C(CC1Sc4ccccc4[N+](=O)[O-])C(N3)c5ccc(cc5)Cl,0.0
25721,CO-ADD:0278835,7.34,n12c(S\C(=C\c(cn(n3)Cc(ccc(c4Cl)Cl)c4)c3c5ccccc5)\C1=O)nc(cc(C)c(C)c6)c26,0.0
25722,CO-ADD:0277784,7.34,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CSc3nc(C)cc(C(F)(F)F)c3C#N,0.0
25723,CO-ADD:0277520,7.34,n(\N=C\c(ccc(c1[N+](=O)[O-])N(CC2)CCO2)c1)(c(C)nn3)c3C,0.0
25724,CO-ADD:0277544,7.34,s1c(SCc2ccc(c3c2cccc3)F)nnc1SCc4ccc(c(cccc5)c45)F,0.0
25725,CO-ADD:0259956,7.34,N1(C)\C(=N/C)\SC(CC(=O)Nc(cc2)ccc2C(O)=O)C1=O,0.0
25726,CO-ADD:0259357,7.34,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c(cc2OC)cc(c2OC)OC,0.0
25727,CO-ADD:0283628,7.33,N1(c(cc2)ccc2C(OCC)=O)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
25728,CO-ADD:0283300,7.33,N1(c2c(Cl)ccc(c2)S(=O)(=O)Nc(cc(cc3C(OC)=O)C(OC)=O)c3)C(=O)C(C4C1=O)C5CC4C=C5,0.0
25729,CO-ADD:0277876,7.33,C(=O)(O\N=C(\C=C1)/C=C/C/1=N\OC(c2ccccc2)=O)c3ccco3,0.0
25730,CO-ADD:0278085,7.33,C(C(OCC)=O)(NCc(cc1)ccc1F)(C(F)(F)F)NC(=O)c(cccn2)c2,0.0
25731,CO-ADD:0278158,7.33,N1C(=O)C(C)=NN=C1SC(CC)C(=O)Nc2ccccc2C#N,0.0
25732,CO-ADD:0277949,7.33,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(c(cccc4)c4n5Cc6ccccc6C#N)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
25733,CO-ADD:0283128,7.33,C(/c(cccc1)c1CC2(C)C)(=C\c3ccc(c4n3)cccc4)\N2,0.0
25734,CO-ADD:0288756,7.33,c(C)(c1)n(CCC2CCN(C(c3oc([N+](=O)[O-])cc3)=O)CC2)c(n1)c4cnccc4,0.0
25735,CO-ADD:0285778,7.33,c12c(cc(C(C)(C)C)cc1C(C)(C)C)NC(c(cc3)ccc3N(C)C)O2,0.0
25736,CO-ADD:0285074,7.33,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c5cccc(Cl)c5,0.0
25737,CO-ADD:0286260,7.33,N1C(c2ccc(c(OC)c2)OC)SC[C@@]1([H])C(OCC)=O,0.0
25738,CO-ADD:0285395,7.33,C(C#N)(C(C)(C)C(C#N)C(N1)=O)=C1SCC(C)=C,0.0
25739,CO-ADD:0255001,7.33,C(=C\c(ccc(c1OCC)O)c1)(/C=C(O2)c3ccc(cc3)C)\C2=O,0.0
25740,CO-ADD:0247339,7.33,c1(\N=C\c(cc(Br)cc2Br)c2O)c(c3ccc(c(OCC)c3)O)nc(cccc4)n14,0.0
25741,CO-ADD:0248863,7.33,C(COc1cccc(C)c1)(=O)N\N=C\c2ccccc2OCc3cccc(OC)c3,0.0
25742,CO-ADD:0249728,7.33,C(=O)(N\N=C\c1cccc(C)c1O)c2cccc(F)c2,0.0
25743,CO-ADD:0249289,7.33,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(NCCOc3ccccc3)=O)[N+](=O)[O-],0.0
25744,CO-ADD:0247759,7.33,c1(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)cc(OC)ccc1OC,0.0
25745,CO-ADD:0135147,7.33,Cc1nc(OC)c2n(cc([N+](=O)[O-])n2)c1,0.0
25746,CO-ADD:0255153,7.33,C1(c2ccc(cc2C)C)=C\C(\C(=O)O1)=C\c(ccc(c3[N+](=O)[O-])C)c3,0.0
25747,CO-ADD:0248166,7.33,c1(NC(CCCCCC)=O)nnc(CCCCCC)s1,0.0
25748,CO-ADD:0254873,7.33,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)ccc4F)\C1=O,0.0
25749,CO-ADD:0249128,7.33,c1(SC)sc2c(ccc(c2)\N=C\c(cc(Cl)cc3Cl)c3O)n1,0.0
25750,CO-ADD:0254380,7.33,c(ncn1)(c(N)ncn2CC(CO)O)c12,0.0
25751,CO-ADD:0278241,7.33,n1(C)c(SCc(ccc(c23)OCO2)c3)nnc1c4ccccc4,0.0
25752,CO-ADD:0278592,7.33,C(C)(C(OCC)=O)(C(OCC)=O)c1ccc(c(C#N)c1)C#N,0.0
25753,CO-ADD:0278769,7.33,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(NCCOc5ccccc5)=O)c3)sc(c6n1)cccc6,0.0
25754,CO-ADD:0278210,7.33,N1(c2ccc(c(C)c2)C)C(=O)c3c(NC1c4ccc(cc4Cl)Cl)cccc3,0.0
25755,CO-ADD:0278825,7.33,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(OC)c3)O,0.0
25756,CO-ADD:0278435,7.33,C(C#N)(C(c1ccccc1Cl)C2C(OC)=O)=C(SCC(N)=O)NC2=O,0.0
25757,CO-ADD:0277405,7.33,c(C#N)(c(\C(\C#N)=C\c(ccc1c(cccc2C(F)(F)F)c2)o1)nn3c4ccccc4)c3N,0.0
25758,CO-ADD:0284469,7.33,N1(c2cccc(c2)C(O)=O)C(=O)c(c3C1=O)cccc3,0.0
25759,CO-ADD:0278373,7.33,N1(OCc2ccccc2)C=CN=CC1=O,0.0
25760,CO-ADD:0283957,7.33,S(C)(=O)(=O)N1CCc(cc2[N+](=O)[O-])c1cc2,0.0
25761,CO-ADD:0284870,7.33,C1(C2=O)C(C(N(CCC3)N13)c4ccccc4)C(N2c5cccc(Cl)c5)=O,0.0
25762,CO-ADD:0259162,7.33,C(=N/c1ccccc1)(/SC=C2c3ccc(c(Br)c3)OC)\N2CCc4ccccc4.Br,0.0
25763,CO-ADD:0258778,7.33,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3cccc(Cl)c3Cl,0.0
25764,CO-ADD:0259186,7.33,N1(C)C(=S)SC(C)(C)C1\[N+](\[O-])=C\c2cccs2,0.0
25765,CO-ADD:0259226,7.33,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccccc2F,0.0
25766,CO-ADD:0258732,7.32,C1(O)(c2c(NC1=O)cccc2)C3CCc(c4C3=O)cc(c(C)c4)OC,0.0
25767,CO-ADD:0258610,7.32,N(/NC(=O)c1ccc(cc1)Cl)=C(/c2ccc(cc2)F)\c(cc3)ccc3N4CCCCC4,0.0
25768,CO-ADD:0259765,7.32,c1(SCC(=O)Nc(c2)cc(cc2C(F)(F)F)C(F)(F)F)sc3c(ccc(OCC)c3)n1,0.0
25769,CO-ADD:0257636,7.32,N1(C(=O)c(c2C1=O)ccc(c2)C(=O)Nc3ccc(cc3C(O)=O)I)N4C(=O)c5c(cccc5)C4=O,0.0
25770,CO-ADD:0258958,7.32,O=C1/C(S/C(N1c2ccccc2)=N\C3C(C=CCC3=O)=O)=C\c4ccc(C(C)C)cc4,0.0
25771,CO-ADD:0283977,7.32,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4ccccc4OC(C)C,0.0
25772,CO-ADD:0285709,7.32,C(O)(=O)C(CSCCc1ccccn1)N,0.0
25773,CO-ADD:0252544,7.32,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc4c5ccc(cc5Cl)Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
25774,CO-ADD:0252911,7.32,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3cc(Br)ccc3OCc4ccc(cc4Cl)Cl,0.0
25775,CO-ADD:0278290,7.32,C(/SC(C1=O)CC(=O)Nc2cccc(C)c2)(=N/c3c(C)cccc3C)\N1C,0.0
25776,CO-ADD:0284899,7.32,c1(ccccc1NC(=O)c2ccc(cc2)NC(=O)c3cccc(OCCC)c3)C(O)=O,0.0
25777,CO-ADD:0284799,7.32,N1(CC)C(=O)\C(\SC1=S)=C/C=C(\Sc(c23)ccc(Cl)c2)/N3C,0.0
25778,CO-ADD:0283911,7.32,n1nc(c2n1CNc3nonc3\C(\N)=N\O)cccc2,0.0
25779,CO-ADD:0277892,7.32,C1(=COc(c2C1=O)ccc(OC)c2)C(=O)c3ccccc3C,0.0
25780,CO-ADD:0277724,7.32,c12c(c3c(cccc3)OC1=O)nc(c(cc4)ccc4C(C)(C)C)nc2NC(C)=O,0.0
25781,CO-ADD:0283938,7.32,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(CSCC(=O)Nc(ccc(c45)cccc4)c5)=O)n1,0.0
25782,CO-ADD:0284714,7.32,N1(C(c2ccc(cc2)Br)CC(c3ccc(cc3)C)=N1)C(=N)SC(CC(N4c5ccc(cc5)F)=O)C4=O,0.0
25783,CO-ADD:0284722,7.32,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(=O)c3ccc(c(F)c3)F)F,0.0
25784,CO-ADD:0257193,7.32,c12c(nnc(SCC(=O)NC(SCC3=O)=N3)n1)c4c(cccc4)n2CC,0.0
25785,CO-ADD:0257234,7.32,N1\C(=N/C)\SC(CC(=O)Nc2ccccc2C)C1=O,0.0
25786,CO-ADD:0257755,7.32,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(ccc(c34)OCO3)c4)\N2,0.0
25787,CO-ADD:0259212,7.32,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(c3c2)OCO3,0.0
25788,CO-ADD:0258852,7.32,c(C(=O)c1ccc(cc1)Br)(sc(c23)nc(c(C#N)c2c(cc4OC)cc(c4OC)OC)N)c3N.O,0.0
25789,CO-ADD:0258717,7.32,C(=C\c(ccc1c2ccc(cc2)Br)o1)(/C3=O)\C(=O)OC(C)(C)O3,0.0
25790,CO-ADD:0260027,7.32,c1(Sc2ncc(cc2[N+](=O)[O-])[N+](=O)[O-])nnc(c(cc3)ccc3C(C)(C)C)n1c4ccccc4,0.0
25791,CO-ADD:0259356,7.32,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)C,0.0
25792,CO-ADD:0284937,7.32,N1(CN2CCC(CC2)C)c(cccc3)c3\C(=N\c(ccc(c4Cl)C)c4)\C1=O,0.0
25793,CO-ADD:0257472,7.32,C(=O)(NCc1ccccc1)C(NCCN(CC2)CCN2Cc3ccccc3Cl)=O,0.0
25794,CO-ADD:0277859,7.32,C1(OC)(c2c(C(=O)O1)cccc2)C[N+](=O)[O-],0.0
25795,CO-ADD:0259347,7.32,c1(NC(CSCc2ccccc2)=O)nnc(Cc3ccccc3)s1,0.0
25796,CO-ADD:0258470,7.32,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)N(CC3)CCO3)n1c4ccccc4,0.0
25797,CO-ADD:0258903,7.32,n1(Cc2ccccc2Cl)c3c(nc1S)cc(C)c(C)c3,0.0
25798,CO-ADD:0259168,7.32,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(cc3)C)\N2CCO.Br,0.0
25799,CO-ADD:0284837,7.32,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)F)Nc2nc(cccc3)c3nc2C(F)(F)F,0.0
25800,CO-ADD:0284358,7.32,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)Br)cc2C(=O)N(CC4)CCN4C,0.0
25801,CO-ADD:0277678,7.32,C(=O)(c1ccc(cc1)F)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
25802,CO-ADD:0279118,7.32,C(=O)(c1ccc(cc1)C)Nc2ccc(c(C)c2C)O,0.0
25803,CO-ADD:0277391,7.31,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3OCc(cc4)ccc4F)\N2C5CCCCC5,0.0
25804,CO-ADD:0283783,7.31,n1c(\C=C\c2ccccc2)c(C)c(c(ccc(cccc3)c34)c14)C,0.0
25805,CO-ADD:0285967,7.31,O=C(C(C(C(O)=O)=C1)=CC=C1[N+]([O-])=O)NNC(C2=CC=NC=C2)=O,0.0
25806,CO-ADD:0133861,7.31,O=C1c2n(C=C(c3ccccc3)N1CCOC(=O)C)cc([N+](=O)[O-])n2,0.0
25807,CO-ADD:0278021,7.31,c(c1c(s2)CCCC1)(C(=O)N(C)C(=N3)SCc(c4)c(cc5)c([nH]4)cc5[N+](=O)[O-])c23,0.0
25808,CO-ADD:0278142,7.31,c1(c(Br)cc(cn1)Br)NC(CSc2ccccn2)=O,0.0
25809,CO-ADD:0278095,7.31,C(=N/c1ccccc1)(/SC=C2c(cc3)ccc3c4ccccc4)\N2CCc(cc5)ccc5S(N)(=O)=O.Br,0.0
25810,CO-ADD:0278111,7.31,N(C(F)(F)F)C(=O)Oc(cc1)ccc1F,0.0
25811,CO-ADD:0278047,7.31,C(C(O)c1ccc(cc1)F)#CC(C)(C)O,0.0
25812,CO-ADD:0277785,7.31,C(=O)(C(OCC)=O)N(c1ccccc1)NC(=O)C(O)(c2ccc(cc2)C)c3ccc(cc3)C,0.0
25813,CO-ADD:0257371,7.31,c1(C(=O)N([H])\N=C\c2ccccc2OC(c3ccccc3)=O)nonc1N,0.0
25814,CO-ADD:0258043,7.31,C(C(OCC)=O)(C(=O)\C(\N1)=C/c(cccc2C(OC)=O)c2)=C1C,0.0
25815,CO-ADD:0284577,7.31,S(=O)(=O)(N1CCCC1)c(c(Cl)cc(c2C(=O)Nc3ccccc3C(O)=O)Cl)c2,0.0
25816,CO-ADD:0284393,7.31,N(C(c1ccccc1)=O)C(=S)Nc2ccccc2C#Cc3ccccc3,0.0
25817,CO-ADD:0284282,7.31,[N+](=O)([O-])c(c1)cc(cc1C(=O)N(C2CCCCC2)C3CCCCC3)[N+](=O)[O-],0.0
25818,CO-ADD:0279034,7.31,C(/C(OCC)=O)(=C\Nc(cc1)ccc1OC)\[N+](=O)[O-],0.0
25819,CO-ADD:0260093,7.31,C1(C(OCCOc2ccccc2)=O)=C(C)NC(NC1c3ccccc3OC(C)C)=O,0.0
25820,CO-ADD:0260110,7.31,C(=N/c1ccccc1)(/SC=C2c3ccc(c(C)c3)C)\N2CCc4ccccc4.Br,0.0
25821,CO-ADD:0259399,7.31,c1(N(CC)CC)nc(Nc(cc2)ccc2OC)nc(Nc3cc(C)ccc3C)n1.Cl,0.0
25822,CO-ADD:0259439,7.31,c1(scc(c2ccc(cc2)Br)n1)NC(CSc3nc(c4ccccc4)cc(c5ccccc5)n3)=O,0.0
25823,CO-ADD:0260015,7.31,C1(=S)NC(NN1c2ccc(cc2)C)(CCCC)CCCC,0.0
25824,CO-ADD:0277796,7.31,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3OC)cc(c3OCc4ccccc4)I)\N2CC=C,0.0
25825,CO-ADD:0257894,7.31,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2C(c3ccccc3)c4ccccc4,0.0
25826,CO-ADD:0257367,7.31,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc4c5ccc(cc5[N+](=O)[O-])OC)o4)\C1=O,0.0
25827,CO-ADD:0258737,7.31,N1(c(cccc2C3=Nc(c4C(=O)O3)cccc4)c2)C(=O)c(c5C1=O)ccc(C(O)=O)c5,0.0
25828,CO-ADD:0257600,7.31,c1(Oc(cc2)ccc2Cl)c(c3ccccc3)nc(Nc4ccccc4OC)s1,0.0
25829,CO-ADD:0257329,7.31,C1(C(=O)OCc2ccco2)=C(C)NC(NC1c3cc4c(cc3Br)OCO4)=O,0.0
25830,CO-ADD:0284359,7.31,c1(nc(c2cccs2)cc3C(F)(F)F)n3nc(C(=O)NC(C)C4CC(CC45)CC5)c1Cl,0.0
25831,CO-ADD:0278639,7.31,c(c1c([nH]2)cccc1)(C3)c2CCN3C(=O)C4CC4,0.0
25832,CO-ADD:0259832,7.31,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3Cl)C2c4ccccc4OC,0.0
25833,CO-ADD:0277687,7.31,C(/C#N)(\C(=O)Nc(c1)cc(cc1C)C)=C/c2c(O)ccc(cccc3)c23,0.0
25834,CO-ADD:0258116,7.31,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(cc4)ccc4OCc5cccc(C)c5)\C1=O,0.0
25835,CO-ADD:0258069,7.31,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3cccc(OC)c3OCc4ccc(cc4Cl)Cl,0.0
25836,CO-ADD:0288920,7.31,n12c(cc(C)n1)c3c(Oc(cc(cc4)C#N)c24)ccc(C)c3,0.0
25837,CO-ADD:0289148,7.31,c(C1)(c2C=O)c(CCN1C(=O)OC(C)(C)C)n(n2)C,0.0
25838,CO-ADD:0288929,7.31,n12c(ccn1)c3c(Oc(cccn4)c24)cccc3,0.0
25839,CO-ADD:0259078,7.31,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(ccc3c(cc4)ccc4C(O)=O)o3)\N2,0.0
25840,CO-ADD:0258334,7.31,c1(nnc(COc(cc2)ccc2C(C)(C)C)s1)NC(=O)c3cccc(C)c3,0.0
25841,CO-ADD:0259080,7.3,C(=N\c(ccc(c12)cccc1)c2)(/S\C(\C3=O)=C\c4ccco4)\N3,0.0
25842,CO-ADD:0258618,7.3,C(NCCc(ccc(c1OC)OC)c1)(C(OCC)=O)(C(F)(F)F)NC(=O)c2ccc(cc2)OC,0.0
25843,CO-ADD:0277537,7.3,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
25844,CO-ADD:0277857,7.3,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(ccc(c5C)OC)c5)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
25845,CO-ADD:0278147,7.3,c1(SCC(OCC(=O)NC2CCCCC2)=O)nc(c3ccccc3)cc(c4ccccc4)n1,0.0
25846,CO-ADD:0277915,7.3,c(C(OCC)=O)(c(cc(O)c(c1)Br)c1n2Cc3ccccc3)c2C,0.0
25847,CO-ADD:0278012,7.3,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)\N=C\c4c5c(cccc5)cc(cccc6)c46)n1,0.0
25848,CO-ADD:0259744,7.3,c1(SC(CC)C(=O)Nc2nnc(C)s2)[nH]c(c3n1)cccc3,0.0
25849,CO-ADD:0278854,7.3,n12c(S\C(=C/c3cccc(Cl)c3)\C1=O)nc(c4ccccc4)c2c5ccccc5,0.0
25850,CO-ADD:0277440,7.3,N12C(S\C(=C\c3ccc(cc3C)OC)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)ccc4OC,0.0
25851,CO-ADD:0278431,7.3,n1c(N)c(C#N)cc(C#N)c1SCC(=O)Nc2cc(C)ccc2C,0.0
25852,CO-ADD:0277426,7.3,N1(C2CCCCC2)C(=S)NN=C1c3ccc(cc3)OC,0.0
25853,CO-ADD:0278834,7.3,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4OC)cc(c4OCC(O)=O)I)\C1=O,0.0
25854,CO-ADD:0277336,7.3,N1C(=O)\C(\SC1=S)=C/c(cc2)cc(c2Oc(cc3)ncc3[N+](=O)[O-])OC,0.0
25855,CO-ADD:0259813,7.3,C1(C(=O)OCc(cc2)ccc2C)=C(C)NC(NC1c3ccc(c(OCC)c3)O)=O,0.0
25856,CO-ADD:0260085,7.3,c1(\C=N\NC(=O)c2ccc(c(O)c2)O)c(OC)ccc(cccc3)c13,0.0
25857,CO-ADD:0283635,7.3,N1(C2c3c(cccc3)Oc(cccc4)c24)N=NN(c5ccccc5)C1=S,0.0
25858,CO-ADD:0284499,7.3,c12c(c3c(cccc3)[nH]1)nnc(SC(CC)C(=O)Nc(cc4)ccc4S(N)(=O)=O)n2,0.0
25859,CO-ADD:0277961,7.3,n1(nnc(CN(CC2)CCO2)c1C(=O)NNC(=O)c3nn(cc3[N+](=O)[O-])C)c4nonc4N,0.0
25860,CO-ADD:0257337,7.3,N1(c(cc2)ccc2C(OCCC(C)C)=O)C(=O)c3c(cc(c(Cl)c3)Cl)C1=O,0.0
25861,CO-ADD:0284618,7.3,n1(c(C)cc(C)n1)C(=O)c2ccc(c(Cl)c2)Cl,0.0
25862,CO-ADD:0259835,7.3,C1(=C(C)NC(=O)NC1c2ccc(cc2)OC)C(=O)Nc3cccc(Cl)c3,0.0
25863,CO-ADD:0259851,7.3,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c4ccccc4)\SC=C1c5ccc(cc5)C.Br,0.0
25864,CO-ADD:0259907,7.3,N1(c(cccc2C(F)(F)F)c2)C(CSc3ncnc([nH]cn4)c34)=Nc(c5C1=O)cccc5,0.0
25865,CO-ADD:0259700,7.3,C1(C(=O)Nc2ccccc2F)C(C1(Cl)Cl)c3ccccc3,0.0
25866,CO-ADD:0258431,7.3,N1(c(cc2)ccc2c(cc3)ccc3[N+](=O)[O-])C(=O)c(c4C1=O)ccc(c4)C5=Nc(c6C(=O)O5)cccc6,0.0
25867,CO-ADD:0289142,7.3,C(C)(C)(C(CC1)CCO1)C(O)=O,0.0
25868,CO-ADD:0288956,7.3,N1(CCN(CC2)CCO2)c(cc3)c(cc3S(N)(=O)=O)Oc(cccc4)c4C1=O,0.0
25869,CO-ADD:0291936,7.3,C1(=NC(=O)NC2=O)C2=Cc(cc3[N+](=O)[O-])c(cc3)N1c4ccc(cc4)Br,0.0
25870,CO-ADD:0284732,7.3,C12(C(C)NCc3cccs3)CC(CC4C1)CC(C4)C2.Cl,0.0
25871,CO-ADD:0284661,7.3,C(=C/c1ccccc1F)(/C(C)=NN2c(ccc(c3C(O)=O)Cl)c3)\C2=O,0.0
25872,CO-ADD:0283933,7.3,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)N(CC5)CCO5)c3)nnc1c6ccccc6,0.0
25873,CO-ADD:0258494,7.3,C(=CC(\C=C\c1ccccc1C(F)(F)F)=NC2=O)(C(F)(F)F)N2,0.0
25874,CO-ADD:0258502,7.3,c1(c2ccccc2Cl)nnn(Cc3ccc(cc3Cl)Cl)n1,0.0
25875,CO-ADD:0258598,7.3,C1(C(OCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC(C)=O)Br)=S,0.0
25876,CO-ADD:0259786,7.3,n1(Cc2ccccc2)c(SCc3ccc(c(cccc4)c34)F)nnc1c5ccccc5,0.0
25877,CO-ADD:0259946,7.29,N1(c(ccc(c2C(O)=O)Cl)c2)C(=O)C3C(C(\C(=C(/C)\C)\C34)C=C4)C1=O,0.0
25878,CO-ADD:0260058,7.29,n1(C(=O)c2ccc(cc2)Cl)c(C)c(c(C)n1)Br,0.0
25879,CO-ADD:0259587,7.29,n1(c2ccccc2)c(SCC(=O)NCC3CCCO3)nnc1c(cc4)ccc4C(C)(C)C,0.0
25880,CO-ADD:0259276,7.29,C(=C\c(ccc1c(cccc2C(OCC)=O)c2)o1)(/C3=O)\Sc(c34)cccc4,0.0
25881,CO-ADD:0259292,7.29,C(=O)(Oc1ccccc1)N2CCCC2C(=O)Nc3scc(C)n3,0.0
25882,CO-ADD:0278866,7.29,C1(N(CC2)CCO2)=NC(Cc(cccc3)c13)(CC)CC,0.0
25883,CO-ADD:0278643,7.29,N1(C)\C(=N/C)\S\C(=C/c(cc(OCO2)c2c3)c3Br)\C1=O,0.0
25884,CO-ADD:0283485,7.29,c1(cn(cn1)C)[N+](=O)[O-],0.0
25885,CO-ADD:0277424,7.29,N1(C2CCCCC2)C(=S)NN=C1c3ccccc3,0.0
25886,CO-ADD:0283558,7.29,N1(C(C(C)C)=O)N=C(CC1(O)c(cccn2)c2)C,0.0
25887,CO-ADD:0283511,7.29,N12C(S\C(=C\c(ccc(c34)OCO3)c4)\C1=O)=NC(C)=C(C(C)=O)C2c5ccc(cc5OC)OC,0.0
25888,CO-ADD:0278098,7.29,C(OC)(C(OCC)=O)(C(F)(F)F)NC(=O)N(c1cccc(C)c1)C2=NCC(C)(C)S2,0.0
25889,CO-ADD:0258703,7.29,c1(SCC(=O)Nc(cc2)ccc2C(C)C)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
25890,CO-ADD:0258800,7.29,N(c1ccccc1[N+](=O)[O-])(C(=O)C(C23)N(c4ccc(cc4)C)N=C2C(OCC)=O)C3=O,0.0
25891,CO-ADD:0259200,7.29,C(C#N)(=C(N)OC(=C12)CCCC1=O)C2c3ccccc3OC,0.0
25892,CO-ADD:0258816,7.29,C(C)(NC(=O)Oc1c(Cl)cc(c(cccc2)c12)Cl)(C(F)(F)F)C(F)(F)F,0.0
25893,CO-ADD:0258705,7.29,n(NCc1ccccc1OCc2c(cccc2Cl)Cl)(cnn3)c3,0.0
25894,CO-ADD:0284627,7.29,C(=O)(n1cccn1)c2ccccc2Br,0.0
25895,CO-ADD:0277476,7.29,C1(C)(C)C(C1\C=C(/Cl)\Cl)C(=O)NNC(=O)c2ccc(cc2Cl)[N+](=O)[O-],0.0
25896,CO-ADD:0258443,7.29,C(/C(CCC1)=O)(\C1=O)=C\Nc2cccc(cccc3)c23,0.0
25897,CO-ADD:0259681,7.29,c1(SCC(=O)N\N=C(/C2)\CCC2)nc(C)cc(C)n1,0.0
25898,CO-ADD:0257267,7.29,N1=C(SCC(OC)=O)S\C(=C/c(cc2)ccc2C)\C1=O,0.0
25899,CO-ADD:0259557,7.29,C(C(C)=O)(C(C)N1)=C(C)NC1=S,0.0
25900,CO-ADD:0283400,7.29,c1(CC(=O)Nc(cccc2C(F)(F)F)c2)c(SC)c3c(cccc3)n1C,0.0
25901,CO-ADD:0257491,7.29,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCCC)=O,0.0
25902,CO-ADD:0260052,7.29,C(=N\c(cc1)ccc1C)(/SC(C2=O)CC(=O)NCc3ccccc3)\N2C,0.0
25903,CO-ADD:0259353,7.29,C1(N(c2ccc(cc2)C)CCN1c3ccc(cc3)C)c4cc(Cl)cc(Cl)c4O,0.0
25904,CO-ADD:0284649,7.29,N(CC=C)(C(c1ccccc1)=NN2CNc3ccccc3Cl)C2=S,0.0
25905,CO-ADD:0284458,7.29,C(C(OCC)=O)(C(CCCCCCC)N1)=C(C)NC1=O,0.0
25906,CO-ADD:0292193,7.29,n1(c2ccc(c(C)c2)C)nc(c3n1)ccc(NC(COc4ccccc4)=O)c3,0.0
25907,CO-ADD:0291753,7.29,N1(C2c3ccccc3Cl)C(S\C(=C/c(ccc4I)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
25908,CO-ADD:0291785,7.29,N12C(S\C(=C\c(ccc3c4ccc(cc4)Br)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)ccc5OC,0.0
25909,CO-ADD:0290761,7.29,N1(CC)C(=O)\C(\SC1=S)=C/c(cc2Br)cc(c2OC)Br,0.0
25910,CO-ADD:0291161,7.29,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c4ccc(c(OC)c4)OCCCC,0.0
25911,CO-ADD:0291090,7.29,C(=O)(c(cccc1C(=O)Nc(cc2)ccc2OCCCCCCCC)c1)Nc(cc3)ccc3OCCCCCCCC,0.0
25912,CO-ADD:0258351,7.29,N1(C2CCCCC2)C(=O)\C(\SC1=S)=C/c(ccc(c3OC)OCc4ccccc4F)c3,0.0
25913,CO-ADD:0258591,7.28,N1(c2ccc(cc2)Br)C(=O)CC(N(CCc3ccccc3)C(CCC(O)=O)=O)C1=O,0.0
25914,CO-ADD:0258535,7.28,C(=C\c(ccc1c2cc(C)c(cc2[N+](=O)[O-])C)o1)(/C(=O)NC(N3)=S)\C3=O,0.0
25915,CO-ADD:0258312,7.28,c1(C(O)=O)cc(ccc1NC(=O)c2cccc(F)c2)c(ccc(c3C(O)=O)NC(=O)c4cccc(F)c4)c3,0.0
25916,CO-ADD:0258633,7.28,N1(c2ccccc2F)C(=O)C(C3C1=O)C(c4ccccc4)C=CC3c5ccccc5,0.0
25917,CO-ADD:0259074,7.28,c(c1c2ccccc2)(C3c4ccc(c(OC)c4)OC)c([nH]n1)OC(N)=C3C#N,0.0
25918,CO-ADD:0259269,7.28,n1c(c(cc2)ccc2[N+](=O)[O-])csc1\C(\C#N)=C\c3cccc(cccc4)c34,0.0
25919,CO-ADD:0259309,7.28,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(ccs3)c3)c4sc(c5c4C#N)CCCC5,0.0
25920,CO-ADD:0277794,7.28,N(c1cccc(Cl)c1)(C(=O)c2ccc(cc2)NC(C)=O)C3(CCCCC3)C(=O)Nc4ccccc4,0.0
25921,CO-ADD:0259382,7.28,C(C#N)(C1c(cc2)ccn2)=C(N)OC(CCCC3=O)=C13,0.0
25922,CO-ADD:0259390,7.28,N1=C(C=C(\C=C\c(cc(Br)cc2Br)c2OC)NC1=O)C(F)(F)F,0.0
25923,CO-ADD:0259425,7.28,c(Nc(cc1)ccc1OC)(nc(Cl)nc2Nc(cc3)ccc3Cl)n2,0.0
25924,CO-ADD:0278694,7.28,C1(=C(C)C=C(N(CC(OCC)=O)C1=O)C)[N+](=O)[O-],0.0
25925,CO-ADD:0284927,7.28,c1(scc(c2ccc(cc2)Br)n1)NC(CSc3nnc(C)[nH]3)=O,0.0
25926,CO-ADD:0283919,7.28,n(Cc(cc1)ccc1OC)(c(C)nn2)n2,0.0
25927,CO-ADD:0283967,7.28,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4cccc(Br)c4,0.0
25928,CO-ADD:0284640,7.28,n1c(c(cc2)ccc2[N+](=O)[O-])csc1\C(\C#N)=C\c(cc3)ccc3NC(C)=O,0.0
25929,CO-ADD:0259153,7.28,N1(C(c2ccccc2)CC(c3ccccc3)=N1)C(=N)SC(CC(N4c5ccc(cc5)Br)=O)C4=O,0.0
25930,CO-ADD:0259185,7.28,N1(Cc2ccccc2)C(=S)SC(C)(C)C1\[N+](\[O-])=C\c(cc3)ccc3[N+](=O)[O-],0.0
25931,CO-ADD:0258817,7.28,c(\C=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(cn(n2)Cc3ccc(cc3Cl)Cl)c2c4ccccc4,0.0
25932,CO-ADD:0259233,7.28,C1(C#N)(C#N)C(c2ccccc2I)C3C(C(C#N)=C1N)=CCCC3,0.0
25933,CO-ADD:0258938,7.28,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CCC(=O)Nc2ccccc2C)=O,0.0
25934,CO-ADD:0258683,7.28,N(=C\c(cc1)ccc1OC)/NC(CCCC(=O)NC2CCCCC2)=O,0.0
25935,CO-ADD:0259462,7.28,S(CCC[N+](CC1)(CCO1)CC#Cc2ccccc2)(=O)(=O)[O-],0.0
25936,CO-ADD:0258384,7.28,S(=O)(=O)(Nc(c1)cc2c(cccc2)n1)c(c3)cc(c(F)c3C(C)(C)C)C(C)(C)C,0.0
25937,CO-ADD:0283743,7.28,C(=O)(c1cccc(c1)NC(CCC)=O)Nc(cc2)ccc2C(O)=O,0.0
25938,CO-ADD:0278670,7.28,S(=O)(=O)(c1ccc(cc1)Cl)Nc2ccc(c(C)c2C)O,0.0
25939,CO-ADD:0283335,7.28,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c3ccc(cc3Cl)Cl)NC(c4ccccc4)=O,0.0
25940,CO-ADD:0258906,7.28,c1(Br)cc(C)ccc1OCCN.Cl,0.0
25941,CO-ADD:0257910,7.28,c1(NC(C)=O)c(c2ccccc2)c(nn1c3ccccc3)C,0.0
25942,CO-ADD:0258976,7.28,C1(C2c3cccs3)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
25943,CO-ADD:0259661,7.28,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
25944,CO-ADD:0259693,7.28,S(NCCSc1sc(c2n1)cccc2)(=O)(=O)c3ccc(cc3)NC(C)=O,0.0
25945,CO-ADD:0259016,7.28,c1(C(O)=O)c(C)c(Cl)c(nc1Cl)C,0.0
25946,CO-ADD:0259625,7.28,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n1,0.0
25947,CO-ADD:0290341,7.28,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c5ccc(Br)s5)n4.Br,0.0
25948,CO-ADD:0290318,7.28,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N\c(cc3)ccc3OC(F)(F)F)\N2CCCO)N4CCCC4.Br,0.0
25949,CO-ADD:0291070,7.28,n1c(c(cc2)ccc2C(C)(C)C)cc(N)n1c3ccc(cc3)C,0.0
25950,CO-ADD:0283279,7.28,N(c1ccccc1)(c2ccccc2)C(CCCCCCCCC(OC)=O)=O,0.0
25951,CO-ADD:0283648,7.28,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)F)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
25952,CO-ADD:0283248,7.28,c([N+](=O)[O-])(cc(n1C(=O)c2nn(cc2Br)C)C)n1,0.0
25953,CO-ADD:0283272,7.28,n(c1ccc(cc1)Br)(c2C)c(C)cc2\C=C(/C#N)\C(=O)Nc(ccc(c3C)C)c3,0.0
25954,CO-ADD:0284530,7.28,N1(c(cc2)ccc2C(C)=O)C(=O)CC(N(CC3)CCN3c4ccccc4Cl)C1=O,0.0
25955,CO-ADD:0284315,7.28,n1(c2ccccc2)nnnc1SCC(=O)N\N=C\c(ccc3c4ccccc4C(O)=O)o3,0.0
25957,CO-ADD:0133876,7.27,O=C(c1[nH]c([N+](=O)[O-])cn1)NCc2ccc(C)cc2,0.0
25958,CO-ADD:0259433,7.27,c1(NC(=O)C(CC)OC(=O)\C=C\c(cc2)ccc2[N+](=O)[O-])sc(c3c1C(OCC)=O)CCCC3,0.0
25959,CO-ADD:0259130,7.27,c(C#N)(c1C(C)C)c(SCC(N)=O)nc(N)c1C#N,0.0
25960,CO-ADD:0259093,7.27,c1(c2ccc(cc2)NC(=O)C(Cc(c3c([nH]4)cccc3)c4)NC(=O)Oc5ccccc5)sc6c(ccc(C)c6)n1,0.0
25961,CO-ADD:0258485,7.27,C1(C)(C(OCC)=O)C=C(C(=O)N1c2ccc(cc2)OC)Nc(cc3)ccc3OC,0.0
25962,CO-ADD:0258654,7.27,c(C(=O)c1ccc(cc1)Cl)(sc(c23)nc(c(C#N)c2c(cc4OC)cc(c4OC)OC)N)c3N,0.0
25963,CO-ADD:0258583,7.27,s1c(c2ccc(c(OC)c2)OC)nnc1NC(=O)c(cc3)ccc3C(C)(C)C,0.0
25964,CO-ADD:0284833,7.27,c12c(ccc(c1)[N+](=O)[O-])O\C(=C\COc(cc3)ccc3[N+](=O)[O-])\C2N(CC4)CCO4,0.0
25965,CO-ADD:0284721,7.27,c1(onc(c2ccc(cc2)Cl)c1)c3cc(C)ccc3O,0.0
25966,CO-ADD:0284555,7.27,c1(C(O)c2cccc(cccc3)c23)n(C(C)C)c4c(cccc4)n1,0.0
25967,CO-ADD:0278842,7.27,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(c(C)c3)C)\N2CCCO.Br,0.0
25968,CO-ADD:0278723,7.27,c1(nnc(ccc(Sc2nc(C)cc(C)n2)n3)n13)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.0
25969,CO-ADD:0278716,7.27,n(c1ccc(cc1)F)(c2C)c(C)cc2\C=C(/C#N)\C(=O)Nc(cc3)ccc3OC,0.0
25970,CO-ADD:0259179,7.27,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C\c(ccc3c4ccc(cc4Cl)[N+](=O)[O-])o3,0.0
25971,CO-ADD:0258892,7.27,c1(c(C)cc(cc1Cl)C)NC(CCC(O)=O)=O,0.0
25972,CO-ADD:0259213,7.27,c1(OC(N)=C(C2c3ccc(c(OC)c3)O)C#N)c2c(n[nH]1)C,0.0
25973,CO-ADD:0277718,7.27,N(c1ccccc1OC)(C(=O)C(C23)C(C(C)=O)=NN2c4ccc(cc4)Br)C3=O,0.0
25974,CO-ADD:0277688,7.27,c1(c2c(sc1N)CCCC2)C(=O)Nc(ccc(c3C)C)c3,0.0
25975,CO-ADD:0278001,7.27,C(/S\C(\C1=O)=C/c(cc2OC)cc(c2OC3=O)S3)(=N\C(C)=O)\N1,0.0
25976,CO-ADD:0257889,7.27,C(=C\c(cc1)ccc1CC)(/C(=O)NC(N2)=S)\C2=O,0.0
25977,CO-ADD:0258875,7.27,N1(C(C)(C)C)Sc2c(NC1=S)cccc2,0.0
25978,CO-ADD:0257626,7.27,n1(C(=O)Cc(cc2)ccc2Cl)c(C)c(c(C)n1)Br,0.0
25979,CO-ADD:0258090,7.27,C(=C\c(ccc1c2cc(Cl)ccc2Cl)o1)(/C(=O)NC(N3)=S)\C3=O,0.0
25980,CO-ADD:0257938,7.27,N(c1cccc(Cl)c1)(C(=O)C2C3C2C(OCC)=O)C3=O,0.0
25981,CO-ADD:0257611,7.27,N12C(S\C(=C\c(cccn3)c3)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
25982,CO-ADD:0257791,7.27,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(ccc(c3OC)OC)c3)\N2,0.0
25983,CO-ADD:0257414,7.27,N1C(=O)\C(\SC1=N)=C\c(cc2OC)cc(c2OCc3ccccc3)Br,0.0
25984,CO-ADD:0257831,7.27,c(C#N)(c(\C(\C#N)=C\c(cc(Cl)cc1Cl)c1OC)nn2c3ccccc3)c2N,0.0
25985,CO-ADD:0258994,7.27,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\N=C(\SC=C2c3ccc(cc3)Br)/N2,0.0
25986,CO-ADD:0257698,7.27,c1(C(=O)NNC(=O)c2ccccc2F)c(Cl)c3c(cccc3)s1,0.0
25987,CO-ADD:0258984,7.27,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3)cc(c3OC(C)=O)OC,0.0
25988,CO-ADD:0291160,7.27,C(=O)(N1)N(C(C)=C)c(c12)cccc2[N+](=O)[O-],0.0
25989,CO-ADD:0290784,7.27,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccccc1F)Nc2sc(c3c2C(N)=O)CCCC3,0.0
25990,CO-ADD:0284428,7.27,C(=N\NC(=S)Nc(cc1)ccc1C)(/C2=O)\c3c(N2)cc(Br)c(C)c3,0.0
25991,CO-ADD:0283821,7.27,N1(C(=O)c2ccc(cc2)C)c3c([C@]([H])(CN(C)CC4)[C@]14[H])cc(C)cc3.Cl,0.0
25992,CO-ADD:0284565,7.27,S(=O)(=O)(Nc1ccccc1)c2c(F)ccc(C(O)=O)c2,0.0
25993,CO-ADD:0284046,7.27,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)CC)\N2CCCCCCO.Br,0.0
25994,CO-ADD:0284623,7.27,C(O1)(\C(\C2)=C\c3ccccc3)=C(CN2CC)C(C(CN(CC)CC4)C14O)c5ccccc5,0.0
25995,CO-ADD:0258640,7.27,C(/C1=O)(\Sc(c12)cccc2)=C\c3c(OCC)ccc(cccc4)c34,0.0
25996,CO-ADD:0258483,7.27,C1(C(F)(F)F)(C(F)(F)F)N=C(OCC)OC(\N=C(/SC)\SC)=N1,0.0
25997,CO-ADD:0258603,7.26,N1(c2ccc(cc2)OC)C(=O)CC(N(CCc(ccc(c3OC)OC)c3)C(C)=O)C1=O,0.0
25998,CO-ADD:0257453,7.26,n12c(S\C(=C/c3ccccc3Cl)\C1=O)nnc2c4ccccc4Cl,0.0
25999,CO-ADD:0257496,7.26,n1(C(=O)c2ccc(cc2)F)c(C)c(c(C)n1)Cl,0.0
26000,CO-ADD:0283406,7.26,N1(C)C(=O)c2c(N=C1SCC(=O)c3ccc(cc3)CC)cccc2,0.0
26001,CO-ADD:0279056,7.26,n1c(c2ccc(cc2)Cl)csc1\C(\C#N)=N\Nc(cc3)ccc3OC,0.0
26002,CO-ADD:0279080,7.26,C1(C2c(cc3OC)cc(c3OC)OC)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
26003,CO-ADD:0283760,7.26,c12n(ncn1N)c(nn2)SCC(=O)Nc3nnc(SCC(=O)Nc4ccccc4OC)s3,0.0
26004,CO-ADD:0283504,7.26,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cc(n5c6ccc(cc6)Br)C)c5C)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
26005,CO-ADD:0283569,7.26,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc(c3OCC)OCc4ccccc4)c3)\N2C5CCCCC5,0.0
26006,CO-ADD:0277689,7.26,C(=O)(NC1CC1)C(NCCCN(CC2)CCO2)=O,0.0
26007,CO-ADD:0277882,7.26,c1(C(c(cc2)ccc2[N+](=O)[O-])N(C)Cc3ccccc3)nnnn1c4c(C)cccc4C,0.0
26008,CO-ADD:0277787,7.26,C(=O)(c1cccnc1Cl)N(c2ccccc2)NC(=O)C(CCCC)(CCCC)O,0.0
26009,CO-ADD:0278056,7.26,c1(N2CCC(CC2)C)nc(Cl)nc(Nc(ccc(c34)OCO3)c4)n1,0.0
26010,CO-ADD:0277944,7.26,c1(SCc(cc2)ccc2I)sc3c(ccc(c3)NC(=O)c(ccc(c4Cl)Cl)c4)n1,0.0
26011,CO-ADD:0258083,7.26,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(cc4)SC)c3C#N)C#N,0.0
26012,CO-ADD:0284284,7.26,n1(c2c(nn1)cccc2)C(=O)c3n(C)ncc3[N+](=O)[O-],0.0
26013,CO-ADD:0258978,7.26,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCc5ccccc5Cl,0.0
26014,CO-ADD:0283722,7.26,c1(C)cc(ccc1N)Cc(ccc(c2C)N)c2,0.0
26015,CO-ADD:0257748,7.26,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc4c(ccc(c5Cl)Cl)c5)o4)\C1=O,0.0
26016,CO-ADD:0278922,7.26,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cc(OCO5)c5c6)c6Br)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
26017,CO-ADD:0291126,7.26,C(/C(=O)c1cccc(Br)c1)=C(\NCCN2)/C2=O,0.0
26018,CO-ADD:0299981,7.26,C(NCc1ccccc1)(=S)Nc(cc2)ccc2Cc(cc3)ccn3,0.0
26019,CO-ADD:0284183,7.26,c1(cn(n2)C)c2cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
26020,CO-ADD:0283655,7.26,S(=O)(=O)(N(CC1)CCO1)c2c(F)ccc(c2)C(=O)Nc(cc3)ccc3C(O)=O,0.0
26021,CO-ADD:0283641,7.26,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cccc3[N+](=O)[O-])c3)c4sc(c5c4C(OC)=O)CCCCC5,0.0
26022,CO-ADD:0283233,7.26,C(C(C)=O)(C1c2ccc(c3c2)OCO3)=C(O)C(N1CCCCCC)=O,0.0
26023,CO-ADD:0279081,7.26,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(c3ccccc3)OC(N)=C1C#N,0.0
26024,CO-ADD:0283115,7.26,C1(Cc2ccccc2)=C(C)c(ccc(c3)OCC(O)=O)c3OC1=O,0.0
26025,CO-ADD:0257432,7.26,c1(C)cc(ccc1C)NCC(OCC)=O,0.0
26026,CO-ADD:0259738,7.26,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc4c(cc5)cc(c56)COC6=O)o4)\C1=O,0.0
26027,CO-ADD:0257545,7.26,C1(=O)N2C(C=CC=C2)=NC(O)=C1c3ccccc3,0.0
26028,CO-ADD:0257777,7.26,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4ccccc4C#N)c3)\N2,0.0
26029,CO-ADD:0283539,7.25,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4ccc(c5c4)OCO5,0.0
26030,CO-ADD:0278213,7.25,O(c1c(cccc1OC)C=C2CC(=O)c3ccc(cc3)OC)C2=O,0.0
26031,CO-ADD:0278174,7.25,S(c1ccccc1)(=O)(=O)NC(c2ccc(cc2)Br)C(Cl)(Cl)Cl,0.0
26032,CO-ADD:0283448,7.25,c1(nonc1N)\C(\N)=N\OC(=O)c2ccccc2Cl,0.0
26033,CO-ADD:0278176,7.25,N(c1ccccc1C)(C(=O)\C(=C\c(c2c([nH]3)cccc2)c3)\C(N4c5ccccc5C)=O)C4=O,0.0
26034,CO-ADD:0283873,7.25,C1(C2c(cc3)ccc3N(C)C)=C(CC(c4ccc(cc4)OC)CC1=O)NC(C)=C2C#N,0.0
26035,CO-ADD:0258718,7.25,c1(cc(ccc1NC(CC)=O)Oc(cc2)ccc2NC(CC)=O)NC(CC)=O,0.0
26036,CO-ADD:0259223,7.25,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c(cc2)ccc2[N+](=O)[O-],0.0
26037,CO-ADD:0258720,7.25,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
26038,CO-ADD:0259152,7.25,N1(C(c2ccccc2)CC(c3ccccc3)=N1)C(=N)SC(CC(N4c(cc5)ccc5C(O)=O)=O)C4=O,0.0
26039,CO-ADD:0259505,7.25,S(C)(=O)(=O)N(CC1)CCN1CCNC(=O)C(=O)Nc(cc2)ccc2OC,0.0
26040,CO-ADD:0259593,7.25,N1(C(c2ccccc2)CC(c3ccccc3)=N1)C(=N)SC(CC(N4c5ccc(c(Cl)c5)Cl)=O)C4=O,0.0
26041,CO-ADD:0258989,7.25,c1(c(ccc(OCO2)c12)\C=N\c3ccccc3F)[N+](=O)[O-],0.0
26042,CO-ADD:0259882,7.25,C1(C)(C(OCC)=O)C=C(C(=O)N1c2ccccc2)Nc(cccc3C(O)=O)c3,0.0
26043,CO-ADD:0257741,7.25,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c5ccc(cc5Cl)Cl)\C1=O)=NC(C)=C2C(OCC)=O,0.0
26044,CO-ADD:0283239,7.25,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-])c3cc(C)cc(C)c3,0.0
26045,CO-ADD:0278754,7.25,C(=C/c1ccccc1OCCO)(/C2=O)\C(=O)NC(=O)N2,0.0
26046,CO-ADD:0283257,7.25,c1(scc(c2ccc(cc2)Br)n1)NC(CSc3[nH]cc(c4ccccc4)n3)=O,0.0
26047,CO-ADD:0283226,7.25,C1(C(=O)OCC2CCCO2)=C(C)NC(=C3C1c4cc(OC)ccc4OC)CCCC3=O,0.0
26048,CO-ADD:0287787,7.25,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccccc2Cl,0.0
26049,CO-ADD:0300025,7.25,C1(=Cc(c2)c(OC1=O)ccc2[N+](=O)[O-])c3oc(c4n3)cccc4,0.0
26050,CO-ADD:0290327,7.25,c1(cc(c2s1)CCCC2)C(=O)N(CC3)CCN3Cc4ccccc4.Cl,0.0
26051,CO-ADD:0283052,7.25,C(=O)(Nc(cc1)ccc1C(C)C)C(NCCC)=O,0.0
26052,CO-ADD:0284012,7.25,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(cc3)cc(c3OC(C)=O)OC)\C1=O)C,0.0
26053,CO-ADD:0283141,7.25,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c(cccc4C(F)(F)F)c4)\SC=C1c5ccc(c(F)c5)OC.Br,0.0
26054,CO-ADD:0283197,7.25,C1(c2ccco2)=CC(c3c(cc(C)cc3)O1)=O,0.0
26055,CO-ADD:0283144,7.25,c12c(ncnc1SCCCCl)[nH]cn2,0.0
26056,CO-ADD:0279071,7.25,C(C(=O)OC(C)C)(=C(C)OC(=C1C#N)N)C1c2cccs2,0.0
26057,CO-ADD:0257801,7.25,c1(nc(c2n1CC(=O)N\N=C/c(c(cccc3)c3n4Cc(cc5)ccc5Cl)c4)cccc2)c6nonc6N,0.0
26058,CO-ADD:0257770,7.25,N1\C(\SCC1=O)=N/N=C(\C)/c2cccs2,0.0
26059,CO-ADD:0257499,7.25,N1(C(=O)c2ccccc2O)N=C(CC1(O)C(F)(F)F)C(F)(F)F,0.0
26060,CO-ADD:0257539,7.25,C12(C)C(C)(C)C(CC1OC(CSc3sc(c4n3)cccc4)=O)CC2,0.0
26061,CO-ADD:0283145,7.25,c(c1c([nH]2)cccc1)(C3)c2CCN3C(CCCCCCC)=O,0.0
26062,CO-ADD:0283985,7.25,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(OC)c3)OC(C)=O,0.0
26063,CO-ADD:0283844,7.25,N1(C(=O)CCC1=O)CN(C(C)=O)c2cccc(Cl)c2,0.0
26064,CO-ADD:0284380,7.25,c(c(C)cc(c12)c(C(C)C)c(c(O)c1\C=N\Nc3ccccc3)O)(c2O)c(c(C)cc(c45)c(C(C)C)c(c(O)c4\C=N\Nc6ccccc6)O)c5O,0.0
26065,CO-ADD:0283180,7.25,C(=N/Nc(c(Cl)c1)c(Cl)cc1[N+](=O)[O-])(/C2=O)\C(=O)NC(=O)N2,0.0
26066,CO-ADD:0278620,7.25,N1(C=Nc(c2C1=O)cccc2)\N=C(/SCC=C)\N3CCCCC3,0.0
26067,CO-ADD:0260185,7.24,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OS(=O)(=O)c3ccc(cc3)C,0.0
26068,CO-ADD:0260201,7.24,C12c3c(cccc3)C(C(CCC)C1C(=O)Nc4ccccc4OC)c(cccc5)c25,0.0
26069,CO-ADD:0278108,7.24,C(=O)(N\N=C\c1cccc(I)c1)C(OCC)=O,0.0
26070,CO-ADD:0278020,7.24,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
26071,CO-ADD:0278053,7.24,c12c(nnc(SCC(=O)N3CCCc(cccc4)c34)n1)c5c(cccc5)n2CCC,0.0
26072,CO-ADD:0278014,7.24,C1(NC(CSc2sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
26073,CO-ADD:0259182,7.24,C1(C)(C(OCC)=O)C=C(C(=O)N1c2ccccc2)Nc(cc3)ccc3C(OCC)=O,0.0
26074,CO-ADD:0257590,7.24,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)C)CC(NCCSc3sc(c4n3)cccc4)=O,0.0
26075,CO-ADD:0259847,7.24,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(CC1=O)Nc(cc3)ccc3Cl,0.0
26076,CO-ADD:0258054,7.24,C12(CC(CC(C3)C1)CC3C2)C(=O)O\N=C(/N)\c4ccccc4,0.0
26077,CO-ADD:0258134,7.24,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(cn(n3)Cc4ccc(cc4Cl)Cl)c3c5ccccc5)\N2c6ccccc6,0.0
26078,CO-ADD:0258419,7.24,n1(CC)c2c(c(cc(cc3)\C=N\c(ccc(c4[N+](=O)[O-])C)c4)c13)cccc2,0.0
26079,CO-ADD:0328948,7.24,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)Nc2ccccn2)Cl)c1,0.0
26080,CO-ADD:0329526,7.24,C1(C(F)(F)F)(NC(=O)c2ccc(cc2Cl)Cl)C(=O)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
26081,CO-ADD:0327803,7.24,c1(O)c(CN2CCOCC2)c(Oc(c(CN3CCOCC3)c(O)c(C\C=C(/C)\C)c4O)c4C5=O)c5c(C\C=C(/C)\C)c1O,0.0
26082,CO-ADD:0216869,7.24,C([C@@H]1NS(=O)(=O)c2cccc(Cl)c2Cl)[C@H](OCC1)c3cc(ccc3)Br,0.0
26083,CO-ADD:0326403,7.24,N1(C(=O)\C(\SC1=N)=C/c(ccc2c(ccc(c3[N+](=O)[O-])Cl)c3)o2)c4nonc4NC(C)=O,0.0
26084,CO-ADD:0327754,7.24,C(Cc1ccc(Br)s1)(CCc(cc2)ccn2)(C(=O)NC(N3)=O)C3=O,0.0
26085,CO-ADD:0217205,7.24,c1(c(C)cc(cc1C)C)NC(CCC(=O)N\N=C\c(cc2)ccc2F)=O,0.0
26086,CO-ADD:0327517,7.24,n1(CC=C)c(SCC(=O)Nc(ccc(c2Cl)F)c2)nnc1c3ccco3,0.0
26087,CO-ADD:0217109,7.24,C(C(OCC)=O)(C1c2ccccc2)=C(CSc3nc(N)c(c(c4cccs4)c3C#N)C#N)OC(N)=C1C#N.[Na+],0.0
26088,CO-ADD:0217065,7.24,C(=O)(Nc(ccc(c12)OCO1)c2)CC(C)=O,0.0
26089,CO-ADD:0216954,7.24,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3cccc(C)c3C)C(=O)Oc(cc4)ccc4\C=N\c5cccc(C)c5C,0.0
26090,CO-ADD:0217048,7.24,C(OCc1ccccc1)(=O)NC(CCC(=O)NC(CC(C)C)C(OC)=O)C(=O)OCc2ccccc2,0.0
26091,CO-ADD:0329505,7.24,C(=O)(C(c1ccccc1)c2ccccc2)N(CC3)CCN3c4ccc(c(Cl)c4)C,0.0
26092,CO-ADD:0326495,7.24,C(C(c1ccccc1)=O)(C2c3ccc(c(OC)c3)OC)=C(O)C(N2CCN)=O,0.0
26093,CO-ADD:0327562,7.24,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)N(C)Cc2ccccc2,0.0
26094,CO-ADD:0324445,7.24,S(NCCOC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c(cc4)ccc4C(C)C,0.0
26095,CO-ADD:0324004,7.24,S(=O)(=O)(c1ccc(c(OC)c1)OC)NC(c2ccc(cc2)C)CC(OCC)=O,0.0
26096,CO-ADD:0320737,7.24,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccccc5F,0.0
26097,CO-ADD:0323904,7.24,N1(CC(=O)Nc2ccc(c(cccn3)c23)Br)C(=O)c4c(C(c5ccc(cc5)Cl)=N1)cccc4,0.0
26098,CO-ADD:0319807,7.24,c1(ccoc1C)C(=O)Nc2ccccc2CC,0.0
26099,CO-ADD:0164744,7.24,CCCc1nc(c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)O,0.0
26100,CO-ADD:0164910,7.24,COc1cc(C)nn1-c1nc(C)cc(OC)n1,0.0
26101,CO-ADD:0324101,7.24,c1(c(C)nc2n1ccs2)c3csc(Nc4c(OC)ccc(OC)c4)n3,0.0
26102,CO-ADD:0324602,7.24,C(c1ccccc1)(=O)c(cc2)ccc2C(c3ccccc3)=O,0.0
26103,CO-ADD:0320535,7.24,c12c(CCNC1c3ccc(cc3)C)cc(c(OCC)c2)OCC,0.0
26104,CO-ADD:0324482,7.24,c1(N(CC2)CCO2)nc(NCC(OCC)=O)nc(Nc(cccc3C(F)(F)F)c3)n1,0.0
26105,CO-ADD:0158194,7.24,NC(S1)=C(C(OCC)=O)C2=C1CC(C)CC2,0.0
26106,CO-ADD:0158250,7.24,O=C(C1=CC=C(C)C=C1)CC(C2=CC=C(I)C=C2)NC(C=C3)=CC=C3CC,0.0
26107,CO-ADD:0158263,7.24,O=C(CCC(N/N=C/C1=CC=C(C=C1)OCC2=CC=CC=C2)=O)NC3=C(C)C(Cl)=CC=C3,0.0
26108,CO-ADD:0318673,7.24,c1(C2c3ccc(cc3)Cl)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
26109,CO-ADD:0216819,7.24,n1c(c2ccc(cc2)Br)csc1N\N=C(/CC)\c3ccc(cc3)Cl,0.0
26110,CO-ADD:0327196,7.24,[nH](c(ccc(c1)OC)c1c2CCNCc3ccc(cc3F)OC)c2C,0.0
26111,CO-ADD:0217595,7.23,n1c(c2ccc(cc2)Br)csc1NCC=C,0.0
26112,CO-ADD:0325953,7.23,C(CCOC1(C)C)(CCNC(CCC(O)=O)=O)(c2ccccc2)C1,0.0
26113,CO-ADD:0327373,7.23,N1(c2ccc(c(Cl)c2)C)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccc(cc4C)Cl,0.0
26114,CO-ADD:0216835,7.23,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\NC(=O)c3cccc(C)c3,0.0
26115,CO-ADD:0328008,7.23,CC(=O)NC(C)(C)c1cnnn1c2c(N)non2.CC(=O)NC(C)(C)c(nn3)cn3c4nonc4N,0.0
26116,CO-ADD:0327864,7.23,n1(C)c(SCC(=O)c2ccc(cc2)O)nnc1c3ccco3,0.0
26117,CO-ADD:0326653,7.23,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc4cccnc4Cl)n2,0.0
26118,CO-ADD:0327370,7.23,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c(cc5OCC)cc(c5O)Br)cccc4,0.0
26119,CO-ADD:0327778,7.23,c1(c2NCCO)c(ccc2C(=O)N3CCCCCC3)C(=O)c(c4C1=O)cccc4,0.0
26120,CO-ADD:0327274,7.23,N1(CCC(O)=O)C(=O)\C(\SC1=S)=C/c(cc(OCO2)c2c3)c3Br,0.0
26121,CO-ADD:0217056,7.23,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2ccccc2C(=O)NC(CC(C)C)C(O)=O,0.0
26122,CO-ADD:0217064,7.23,C(=O)(Nc(cccn1)c1)C(=O)NCc2ccccc2,0.0
26123,CO-ADD:0217013,7.23,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c(cc3)ccc3I,0.0
26124,CO-ADD:0216977,7.23,C(C(C)SCc1ccccc1)(=O)N\N=C\c2ccccc2,0.0
26125,CO-ADD:0217306,7.23,n1c(ccc(c2)\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])Br)c2oc1c4ccc(cc4)Cl,0.0
26126,CO-ADD:0217050,7.23,C(Oc(cc1)ccc1C(=O)Nc2ccccc2Cl)(=S)Nc(cc3)ccc3I,0.0
26127,CO-ADD:0328676,7.23,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2[N+](=O)[O-])NCC(C3)(C4)CC(C5)CC3CC45,0.0
26128,CO-ADD:0318700,7.23,c12c(CCNC1c3ccc(c(OC)c3)OCC)cc(c(OC)c2)OC,0.0
26129,CO-ADD:0320026,7.23,C(=O)(c(cc1)ccc1C(F)(F)F)N2CCCCC2,0.0
26130,CO-ADD:0321131,7.23,S(N)(=O)(=O)c1ccc(cc1)CCNC(=S)Nc(cc2)ccc2OCC,0.0
26131,CO-ADD:0319979,7.23,C(NC(C)=O)(C(F)(F)F)(C(F)(F)F)N1CCCCC1c(cccn2)c2,0.0
26132,CO-ADD:0318920,7.23,C(F)(F)(F)Oc(cc1)ccc1NC(CNCc(cccn2)c2)=O,0.0
26133,CO-ADD:0324493,7.23,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3Cl,0.0
26134,CO-ADD:0324733,7.23,C(C(OC)=O)(=CN(CCOC)C=C1C(OC)=O)C1c2ccc(Cl)s2,0.0
26135,CO-ADD:0319719,7.23,N(CC1N2CCc(cccc3)c13)(C2c(cccc4[N+](=O)[O-])c4)S(=O)(=O)c5ccc(cc5)C,0.0
26136,CO-ADD:0164915,7.23,OC(=O)COCCN1CCN(CC1)[C@H](c1ccccc1)c1ccc(Cl)cc1,0.0
26137,CO-ADD:0164380,7.23,C(c1ccccc1)n1ccnc1,0.0
26138,CO-ADD:0164804,7.23,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,0.0
26139,CO-ADD:0319727,7.23,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/Nc3cc(OC)c(cc3C(OC)=O)OC,0.0
26140,CO-ADD:0164428,7.23,NC(=O)N1c2ccccc2C=Cc2ccccc12,0.0
26141,CO-ADD:0324083,7.23,c1(nc(C)nc2N(CC3)CCO3)c2OCC(=O)N1,0.0
26142,CO-ADD:0324139,7.22,S(=O)(=O)(NCc(cccn1)c1)c2c(OC)cc(c(OC)c2)Br,0.0
26143,CO-ADD:0324359,7.22,N1(CC(=O)NCc2ccccn2)C(=O)c3c(C(c4ccc(cc4)C)=N1)cccc3,0.0
26144,CO-ADD:0323607,7.22,C(NCCC(CC(CC1C2)CC23)(C3)C1)(NC(C)=O)(C(F)(F)F)C(F)(F)F,0.0
26145,CO-ADD:0324136,7.22,S(NCCN(CC1)CCO1)(=O)(=O)c2c(OC)cc(c(C(C)C)c2)C,0.0
26146,CO-ADD:0319895,7.22,c1(Nc(cc2)ccc2OC(F)(F)F)nc(OCC(F)(F)F)nc(NCc3ccccc3)n1,0.0
26147,CO-ADD:0318721,7.22,C(OC)(F)(C(F)(F)F)C(=O)Oc1cc(ccc1[N+](=O)[O-])Oc(c(Cl)ccc2C(F)(F)F)c2,0.0
26148,CO-ADD:0318834,7.22,C1(NC(COc(cc2C)cc(c2Cl)C)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
26149,CO-ADD:0318882,7.22,N1(CC)\C(=N/CC)\SC(C(=O)Nc(cc2)ccc2Cl)CC1=O,0.0
26150,CO-ADD:0318842,7.22,c1(nc(C)cc(C)n1)NC(=O)c2ccc(cc2)Br,0.0
26151,CO-ADD:0318790,7.22,c([N+](=O)[O-])(nn(c1C(=O)Nc2sc(c3c2C(N)=O)CCCC3)Cc4ccccc4)c1,0.0
26152,CO-ADD:0318720,7.22,C(OC)(F)(C(F)(F)F)C(=O)Oc(cc1)cc(c1[N+](=O)[O-])Oc(cc2)c(Cl)cc2C(F)(F)F,0.0
26153,CO-ADD:0217646,7.22,c1(\C=N\NC(COc2ccccc2Br)=O)cc(Br)ccc1OC,0.0
26154,CO-ADD:0327765,7.22,N12C(SC(C(F)(F)F)=N1)=NC(=O)\C(=C\c(ccc3c(cc4)cc(c4[N+](=O)[O-])[H])o3)\C2=N,0.0
26155,CO-ADD:0327389,7.22,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5ccccc5F)cccc4,0.0
26156,CO-ADD:0217438,7.22,n1c2c(oc1c3cccc(c3)\N=C/c(cc4)ccc4C(OC)=O)ccc(C)c2,0.0
26157,CO-ADD:0327285,7.22,C12(c3c(N(CC=C)C1=O)cccc3)NC(C(C(N4Cc5ccccc5)=O)C2C4=O)CC(C)C,0.0
26158,CO-ADD:0326262,7.22,c1(cnn2c3ccc(cc3)Br)c2CC(C)(C)c(nc4c(cccc4)n5)c15,0.0
26159,CO-ADD:0326167,7.22,c1(c2c(cs1)CCCC2)C(=O)Nc(ccc(c34)cccc3)c4,0.0
26160,CO-ADD:0326071,7.22,c1(C(O)=O)cc(c(cc2OCC)cc(c2OCC)Cl)nc(ccc(cccc3)c34)c14,0.0
26161,CO-ADD:0328667,7.22,c1(C(OC)=O)c(cc(oc(c2C(OC)=O)N)c2c3c4ccc(cc4)Cl)c3oc1N,0.0
26162,CO-ADD:0327570,7.22,N1(CC=C)C=NNC1=S,0.0
26163,CO-ADD:0327290,7.22,n1c(N)n[nH]c1CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc(cc4)ccc4C,0.0
26164,CO-ADD:0327298,7.22,N(c1cccc(Cl)c1)(C(=O)C(C23)C(c4cc(Br)ccc4O)NC2(C)C(O)=O)C3=O,0.0
26165,CO-ADD:0217090,7.22,C(/CCC1)(\N1C)=N/c2ccccc2C#N,0.0
26166,CO-ADD:0217311,7.22,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\C(\C)=C\c3ccccc3,0.0
26167,CO-ADD:0217110,7.22,c1(C#N)c(c2ccccc2)c3c(nc1SCc4c(cccc4Cl)F)CCC3,0.0
26168,CO-ADD:0216926,7.22,C(CSCc1ccccc1C)(=O)N\N=C\c(cc2)ccc2OC(C)=O,0.0
26169,CO-ADD:0217139,7.22,c(C(=O)Nc1nnc(CC)s1)(sc(c23)nc(cc2C(F)(F)F)C)c3N,0.0
26170,CO-ADD:0217033,7.22,N(/c(cc1)ccc1Cl)=C\c(cc2)ccc2OCC(=O)c(cc3)ccc3c4ccccc4,0.0
26171,CO-ADD:0329128,7.22,C(=O)(c1ccc(cc1)F)Nc(cc2)ccc2CC#N,0.0
26172,CO-ADD:0328601,7.22,C(C(OC)=O)(NC(C)=O)(C(F)(F)F)N(Cc(cc1)ccn1)Cc(cccn2)c2,0.0
26173,CO-ADD:0326212,7.22,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C(\C)/C)\NC(c3ccccc3)=O)c1C,0.0
26174,CO-ADD:0327163,7.22,[nH](c(ccc(c1)OC)c1c2CCNCc(cc3)ccc3C(F)(F)F)c2C,0.0
26175,CO-ADD:0318853,7.22,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)OC)c24,0.0
26176,CO-ADD:0318832,7.22,C1(NC(COc(cccc2C(F)(F)F)c2)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
26177,CO-ADD:0320466,7.22,c1(Sc2ccc(cc2[N+](=O)[O-])C(F)(F)F)sc(c3n1)cccc3,0.0
26178,CO-ADD:0318897,7.22,C(/C#N)(\C(OCCCC)=O)=C/c(ccc1c2ccc(cc2)Br)o1,0.0
26179,CO-ADD:0318806,7.22,c1(NC(=O)c2ccc(cc2)C)n(C)c3c(cccc3)n1,0.0
26180,CO-ADD:0318727,7.22,C(C(O)=O)(=CN1CC)C(=O)c(c12)cnc(N(CC3)CCN3C(=S)NC(=O)c4ccccc4Br)n2,0.0
26181,CO-ADD:0321195,7.22,c12c(CCNC1c3cc(OC)ccc3F)cc(c(OCC)c2)OCC,0.0
26182,CO-ADD:0321509,7.21,n1c(N)n[nH]c1CC(=O)N(c2ccccc2)C3(CCCCC3)C(=O)Nc4ccccc4,0.0
26183,CO-ADD:0321541,7.21,c12c(C(c3ccc(cc3)Br)SCC(=O)N1)c(nn2c4ccccc4)c5ccccc5,0.0
26184,CO-ADD:0321311,7.21,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OCC)OCc4ccccc4F)c3)\C2=N,0.0
26185,CO-ADD:0321351,7.21,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OC)OCCOc(cc4)ccc4C)c3)\C1=N,0.0
26186,CO-ADD:0324093,7.21,n(c(N)cc(n1)O)c1SCC(OC)=O,0.0
26187,CO-ADD:0324753,7.21,c1(cc[nH]n1)C(=O)NC2(CCCCC2)C(=O)Nc3c(C)cccc3C,0.0
26188,CO-ADD:0323429,7.21,c1(N(CC2)CCO2)nc(COc3ccccc3Cl)nc(N)n1,0.0
26189,CO-ADD:0164459,7.21,CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12,0.0
26191,CO-ADD:0164926,7.21,CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.OC(=O)/C=C\C(=O)O,0.0
26192,CO-ADD:0164944,7.21,COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC.Cl,0.0
26193,CO-ADD:0164401,7.21,CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1.O.Br.Br,0.0
26194,CO-ADD:0164417,7.21,OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,0.0
26195,CO-ADD:0323608,7.21,C(NCCC(CC(CC1C2)CC23)(C3)C1)(C(F)(F)F)(C(F)(F)F)NC(OC)=O,0.0
26196,CO-ADD:0318732,7.21,c1(c2c(cccc2Cl)Cl)nnc(cccc3Cl)n13,0.0
26197,CO-ADD:0327286,7.21,C1(SCC(=O)N1c2ccc(c(C)c2)C)(c3c(N4CN(CC5)CCN5c6ccccc6F)cccc3)C4=O,0.0
26198,CO-ADD:0328831,7.21,C(=O)(c1ccccc1C)Nc(cc2)ccc2CC#N,0.0
26199,CO-ADD:0329193,7.21,n1c(c2cccs2)onc1c3ccc(Br)o3,0.0
26200,CO-ADD:0329209,7.21,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
26201,CO-ADD:0328178,7.21,c1(c(C)c(cc(C(C)C)c1O)NC(=O)c2ccc(cc2)Cl)S(=O)(=O)c3ccc(cc3)Cl,0.0
26202,CO-ADD:0328731,7.21,S(=O)(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(OCC)=O)c2cccc(nsn3)c23,0.0
26203,CO-ADD:0329836,7.21,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1CC(O)c5ccccc5)CC,0.0
26204,CO-ADD:0330068,7.21,c1(cc(OC)ccc1OC)C(=O)c(cc2)ccc2C(NCCc(ccc(c3OCC)OCC)c3)=O,0.0
26205,CO-ADD:0327699,7.21,CN(C=NN1[C@H]2CC(=O)[C@H](O3)O[C@@H]2C3)C1=S,0.0
26206,CO-ADD:0327350,7.21,N1(c2c(N3)cccc2)C3=Cc(cccc4)c4C1=O,0.0
26207,CO-ADD:0328760,7.21,n1(CC(=O)N(c2ccccc2)C(C)(CC)C(=O)Nc3c(C)cccc3C)nnnc1N,0.0
26208,CO-ADD:0328267,7.21,c1(c(NCc2ccccc2)oc(c(cc3OC)cc(c3OC)OC)n1)S(=O)(=O)c4ccc(cc4)C,0.0
26209,CO-ADD:0328315,7.21,C(=O)(Nc1ccc(c(cccn2)c12)Br)C(C(F)(F)F)C(F)(F)F,0.0
26210,CO-ADD:0319395,7.21,n1(c2ccccc2)c(SCc(cc3)ccc3OC)nnc1c(cc4)ccc4C(C)(C)C,0.0
26211,CO-ADD:0319513,7.2,c1(C2c(cc3)ccn3)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
26212,CO-ADD:0319570,7.2,N12C(S\C(=C/c(ccc3c4cc(Cl)ccc4OC)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
26213,CO-ADD:0319586,7.2,C1(C2c3ccccn3)=C(CC(C)(C)CC1=O)Nc(ccc4c5cccn4)c25,0.0
26214,CO-ADD:0324480,7.2,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])Oc3c(ccc(C)c3)NC2=O,0.0
26215,CO-ADD:0324776,7.2,c1(NC(C)CC)nc(NCCOC(C2)(CC3CC2CC4C3)C4)nc(OCC(F)(F)F)n1,0.0
26216,CO-ADD:0319616,7.2,C1(c2c(cccc2Cl)F)N(N13)CCCC3,0.0
26217,CO-ADD:0323437,7.2,c1(\C(\CCC2)=N\OCc3ccc(cc3Cl)Cl)c2non1,0.0
26218,CO-ADD:0323931,7.2,S(=O)(=O)(N1CCCCC1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(=O)Nc(cc5)ccc5OC(F)(F)F)=O)=N4)c2,0.0
26219,CO-ADD:0324551,7.2,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2C(C)=O)nnc1c3cccs3,0.0
26220,CO-ADD:0164865,7.2,CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3COC(Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O,0.0
26221,CO-ADD:0318899,7.2,N1(c2ccccc2)C(c3ccco3)CC(c4ccc(cc4)Cl)=N1,0.0
26222,CO-ADD:0318780,7.2,C1(NC(COc(cc2)cc(c2[N+](=O)[O-])C)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
26223,CO-ADD:0318724,7.2,C(=C/Nc(cc1OC)cc(c1OC)OC)(/C2=O)\C(=O)NC(=O)N2,0.0
26224,CO-ADD:0157955,7.2,O=P(O)(O)CN(CCCC)CP(O)(O)=O,0.0
26225,CO-ADD:0158238,7.2,O=C(CCCC1=CC(C)=C(OC)C=C1)NC2=C(Cl)C=CC(Cl)=C2,0.0
26226,CO-ADD:0319855,7.2,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCc(cc3)ccc3Cl,0.0
26227,CO-ADD:0328618,7.2,c1(n2)c(ccc(COC(=O)c(c3c4cccc3)c5c(n4)CCCC5)c1)no2,0.0
26228,CO-ADD:0327861,7.2,o1c(SCc(cc2)ccc2Br)nnc1c(cc3OC)cc(c3OC)OC,0.0
26229,CO-ADD:0217454,7.2,S(=O)(=O)(NCc1ccccc1)c(ccc(c2C(=O)Nc(cc3)ccc3Cl)Cl)c2,0.0
26230,CO-ADD:0327677,7.2,C(C(=O)c1ccc(cc1)C)(C2c3cccc(F)c3)=C(O)C(N2CCN(CC4)CCO4)=O,0.0
26231,CO-ADD:0216859,7.2,n1(cc(n2nnc(c3cccc(C(F)(F)F)c3)c2)nc1)C(C)(C)C,0.0
26232,CO-ADD:0329876,7.2,C(=C/c(ccc1c(ccc(c2Cl)Cl)c2)o1)(/C3=O)\C(c4ccccc4)=NO3,0.0
26233,CO-ADD:0330013,7.2,C1(C(=O)NC(N2c3ccccc3)=O)=C2NC(=O)C1(NC(C)=O)C(F)(F)F,0.0
26234,CO-ADD:0328375,7.2,C1(\C(\C)=N\c2ccccc2)=C(O)C=C(c3ccco3)CC1c4ccccc4,0.0
26235,CO-ADD:0329007,7.2,C1(C2=O)C(C(NC1(CCSC)C(O)=O)c3ccc(cc3O)OC)C(N2c4ccc(cc4)OC)=O,0.0
26236,CO-ADD:0327874,7.2,S(=O)(=O)(c1ccc(c(F)c1)OC)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC(C)c4ccccc4,0.0
26237,CO-ADD:0329899,7.2,C(C(OC)=O)(C(F)(F)F)(C(C(OCC)=O)C(OCC)=O)NS(c1ccccc1)(=O)=O,0.0
26238,CO-ADD:0328348,7.2,C(=O)(NC(C)(C)C#C)NC(C)(C)C#C,0.0
26239,CO-ADD:0217086,7.2,C(c1ccccc1)(=O)NCC(O)=O,0.0
26240,CO-ADD:0217374,7.2,n1c2c(sc1c3ccc(cc3)\N=C\c4cc(Br)ccc4O)ccc(C)c2,0.0
26241,CO-ADD:0217019,7.2,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CSCc2ccccc2Br)=O,0.0
26242,CO-ADD:0328054,7.2,C(=C/C(=O)C(C)(C)C)(/N1)\C(=C\C(=O)C(C)(C)C)\Nc(cccc2)c12,0.0
26243,CO-ADD:0329999,7.2,C(O1)(C2=O)C(C(N1c3ccccc3)c4ccc(cc4)OC)C(N2c5ccc(cc5)OC)=O,0.0
26244,CO-ADD:0320006,7.2,c1(C(=O)NCc2ccccc2)c(Cl)c(Cl)c(nc1Cl)Cl,0.0
26245,CO-ADD:0164370,7.2,COc1cc(cc(OC)c1OC)C(=O)NC1CCCNC1,0.0
26247,CO-ADD:0164834,7.2,Cc1cccc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)c1.Cl.Cl,0.0
26248,CO-ADD:0217993,7.2,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(CNC(=O)c3ccco3)=O)o1,0.0
26249,CO-ADD:0323473,7.2,C(/Nc(ccc(c1Br)C)c1)(\C(O)=O)=C\C(c2ccccc2)=O,0.0
26250,CO-ADD:0323289,7.2,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c3ccc(Br)s3)=O,0.0
26251,CO-ADD:0323145,7.2,S(=O)(=O)(Nc1ccccc1I)c2ccc(c3c2cccn3)OC,0.0
26252,CO-ADD:0319285,7.2,N(c1c(OCC)ccc(C(C)=O)c1)(C(=O)C(C2C34Br)C(Br)(c(c35)cccc5)c6c4cccc6)C2=O,0.0
26253,CO-ADD:0324505,7.19,c(c(C)nc(c1C(OCCCC)=O)O)(c1C)[N+](=O)[O-],0.0
26254,CO-ADD:0324642,7.19,n1([H])c(cccc2)c2c(CCN([H])C(=O)c3ccccc3OC(C)C)c1C,0.0
26255,CO-ADD:0323708,7.19,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCC(C4)(C5)CC(CC5C6)CC46)c7ccc(cc7)OC,0.0
26256,CO-ADD:0323660,7.19,n12c(c(c(c3ccc(cc3)Cl)c1C(=S)Nc4cccc(C)c4)CCCC5)n5c(CNc(cc6)ccc6OC)n2,0.0
26257,CO-ADD:0324097,7.19,c1(c(C)nc2n1ccs2)c3csc(Nc4ccccc4CC)n3,0.0
26258,CO-ADD:0319815,7.19,c1(NC(COc2ccc(cc2F)F)=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
26259,CO-ADD:0320039,7.19,N1(C(CC2(C)C)CC(N2)(C)C)C(C)(O)C(OC1=O)(C)CC,0.0
26260,CO-ADD:0319451,7.19,c1(N(c2ccccc2)c3ccccc3)nc([N+](C)(C)C)nc(N(CC4)CCO4)n1,0.0
26261,CO-ADD:0157963,7.19,O=C(C(C1C2=O)C3(C(OC(C)=O)OC(C)=O)OC1C=C3)N2C4=CC=C(Br)C=C4,0.0
26262,CO-ADD:0217558,7.19,c1(c(O)c(\C=N\c(ccc(c23)oc(c(cc4)ccn4)n2)c3)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
26263,CO-ADD:0328030,7.19,C(CN(C(C)c1ccccc1)CN2)(C(=O)N(C)C(N3C)=O)=C23,0.0
26264,CO-ADD:0325931,7.19,C(F)(F)(SC(C(C)=O)C(C)=O)C(C(OC)=O)C(F)(F)F,0.0
26265,CO-ADD:0325939,7.19,S(NCCN(CC1)CCO1)(=O)(=O)c2c(OC)ccc(Br)c2,0.0
26266,CO-ADD:0325987,7.19,N(Cc1ccccc1)(C(=O)C(C23)C(c4cccc(OCC)c4O)NC2(CC(C)C)C(O)=O)C3=O,0.0
26267,CO-ADD:0328454,7.19,c1(N2CCCCC2)nc(C#N)nc(NCC)n1,0.0
26268,CO-ADD:0327974,7.19,C(=O)(Sc(cc1C(C)(C)C)cc(c1O)C(C)(C)C)C(C(F)(F)F)C(F)(F)F,0.0
26269,CO-ADD:0329630,7.19,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\C(C)(C)C23CC4CC(CC(C4)C2)C3)[N+](=O)[O-],0.0
26270,CO-ADD:0326276,7.19,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCO)c4ccc(cc4)F,0.0
26271,CO-ADD:0328160,7.19,S(=O)(=O)(N(CC1)CCC1C(=O)Nc(cccc2[N+](=O)[O-])c2)c3ccc(c4c3cccn4)OC,0.0
26272,CO-ADD:0217443,7.19,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(cc(Br)cc4Br)c4O,0.0
26273,CO-ADD:0217407,7.19,[N+](=O)([O-])c(cc1)cc(c1c2ccc(\C=N\c3cc(C)ccc3C)o2)Cl,0.0
26274,CO-ADD:0329009,7.19,C1(C2=O)C(C(NC1(C)C(O)=O)c3cc(Cl)ccc3O)C(N2c4ccc(cc4)Cl)=O,0.0
26275,CO-ADD:0329388,7.19,N(C1CCC(OC1C2)O2)(N=C(N3CC=C)c4ccccc4Cl)C3=S,0.0
26276,CO-ADD:0329700,7.19,N12C(SC(C(F)(F)F)=N1)=NC(=O)\C(=C\c(cc3)ccc3OCc4ccccc4F)\C2=N,0.0
26277,CO-ADD:0327875,7.19,c1(SCC(=O)c2ccc(cc2)O)sc3c(ccc(OCC)c3)n1,0.0
26278,CO-ADD:0217331,7.19,c(Nc1ccccc1)(nc(N\N=C/c(ccc2c3ccc(cc3)I)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
26279,CO-ADD:0328370,7.19,S(=O)(=O)(c(cccc1C(=O)Nc2sc(c3c2C#N)CC(CC3)C)c1)N(CC4)CCN4c5ccccc5,0.0
26280,CO-ADD:0328572,7.19,N(c1ccccc1)(CC2)CCN2CC(=O)Nc(cc3)ccc3OC(F)(F)Cl,0.0
26281,CO-ADD:0216964,7.19,C(=O)(CN(CC1)CCO1)N\N=C\c(cc2)ccc2Br,0.0
26282,CO-ADD:0164512,7.19,COc1ccc2[nH]cc(C3=CCNCC3)c2c1.COc1ccc2[nH]cc(C3=CCNCC3)c2c1.OC(=O)CCC(=O)O,0.0
26283,CO-ADD:0164771,7.19,O=C(C1CCCCC1)N1CC2N(CCc3ccccc23)C(=O)C1,0.0
26284,CO-ADD:0217906,7.19,N(C(c1ccccc1)C(OCCCC)=O)C(c2ccccc2)=O,0.0
26285,CO-ADD:0218522,7.19,N(=C\c1ccccc1O)/NC(CCC(=O)Nc(cc2)ccc2CC)=O,0.0
26286,CO-ADD:0218002,7.18,c1(Nc2c(Cl)ccc(Cl)c2)c(c(C)nc(Nc3c(Cl)ccc(Cl)c3)n1)[N+](=O)[O-],0.0
26287,CO-ADD:0324674,7.18,N1(CC(C)C)\C(=N\c(cc2)ccc2OC)\SC(C(=O)Nc(cc3)ccc3OC(F)(F)Cl)CC1=O,0.0
26288,CO-ADD:0321335,7.18,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCCOCCOc(ccc(c4C)C)c4)c3)\C2=N,0.0
26289,CO-ADD:0321191,7.18,C1(=C(CCCC1=O)O)C(CC(C)C)C2=C(CCCC2=O)O,0.0
26290,CO-ADD:0324540,7.18,c1(cc(nn1c2ccc(cc2)OC(F)(F)Cl)C)NC(=O)Nc3cccc(F)c3,0.0
26291,CO-ADD:0323539,7.18,C1(C(=O)N(C)C(N2C)=O)=C2Oc(c3NC1c4ccc(cc4)Br)cccc3,0.0
26292,CO-ADD:0323108,7.18,C1(C#Cc2ccccc2)C3=C(CCCC3=O)OC(CCCC4=O)=C14,0.0
26293,CO-ADD:0323173,7.18,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(Cl)c4,0.0
26294,CO-ADD:0323373,7.18,N1(CC(=O)Nc(cc2)ccc2OC(F)(F)Cl)C(=O)c3c(C(c4ccc(cc4)C)=N1)cccc3,0.0
26295,CO-ADD:0323485,7.18,c1(CN(c2ccc(cc2)C)C(=O)Nc3ccccc3)nnc(CCCCC4)n14,0.0
26296,CO-ADD:0323493,7.18,n12c(CCCCC1)nnc2SCC(=O)Nc(cc3)ccc3OCC,0.0
26297,CO-ADD:0323985,7.18,S(NCCOC(C1)(CC(C2)CC3CC12)C3)(=O)(=O)c4ccc(c(C)c4Cl)Cl,0.0
26298,CO-ADD:0324896,7.18,n1c(SCCCC)nnc(C)c1O,0.0
26299,CO-ADD:0320993,7.18,N(\C(=C/c1cc2c(nc1N3CCCCC3)ccc(OC)c2)\C(O4)=O)=C4c5ccccc5,0.0
26300,CO-ADD:0323869,7.18,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c(ccc(c4C(F)(F)F)Cl)c4)o3,0.0
26301,CO-ADD:0320079,7.18,c1(c(c2)scn2)nc(c3n1CC(=O)Nc(cc4)ccc4OC(F)(F)F)cccc3,0.0
26302,CO-ADD:0319768,7.18,c1(NC(COc(cc2)cc(c2[N+](=O)[O-])C)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
26303,CO-ADD:0319083,7.18,C1(NC(OC)=O)=C(C)N(N(c2ccccc2)C1=O)C,0.0
26304,CO-ADD:0154575,7.18,O=C(CC#N)C1=CC=CC=C1,0.0
26305,CO-ADD:0321109,7.18,c1(NC(COc2ccccc2[N+](=O)[O-])=O)sc(c3c1C#N)CCC3,0.0
26306,CO-ADD:0217007,7.18,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c(ccc(c3C)C)c3,0.0
26307,CO-ADD:0217511,7.18,n1c2c(oc1c3ccc(cc3)\N=C\c(c(O)ccc4C(O)=O)c4)cccn2,0.0
26308,CO-ADD:0217559,7.18,c1(ccc(\C=N\NC(CNC(=O)c2ccco2)=O)o1)c3cc(Cl)ccc3Cl,0.0
26309,CO-ADD:0320004,7.18,S(=O)(=O)(Nc1ccccc1Cl)c2ccc(c3c2cccn3)OC,0.0
26310,CO-ADD:0217651,7.18,n1c2c(cccc2)ccc1C(=O)N\N=C\c3ccccc3OCc4cccc(OC)c4,0.0
26311,CO-ADD:0329310,7.18,n1(C(=O)CSc2nc(CSc(cc3)ccc3Cl)cc(O)n2)c4c(c(cccc5)c15)cccc4,0.0
26312,CO-ADD:0217465,7.18,C(=O)(N\N=C\c(cc1)ccc1OC(=O)c2ccco2)C(O)(c3ccccc3)c4ccccc4,0.0
26313,CO-ADD:0326723,7.18,C(=N/c(cc1)ccc1c2nnc(CCCCC3)n23)(/SC=C4c5ccc(cc5)Cl)\N4CC,0.0
26314,CO-ADD:0216839,7.18,N(=C\c(ccc(c1OCC)OCc(cc2)ccc2Cl)c1)/NC(Cc3ccccc3)=O,0.0
26315,CO-ADD:0327434,7.18,c(C1)(c2c([nH]3)ccc(OC)c2)c3CCN1C(OCC)=O,0.0
26316,CO-ADD:0325991,7.18,N1(c(c2c3cccc2)c4c(n3)cccc4)C(=O)N(C(=O)N1c(c5c6cccc5)c7c(n6)cccc7)c8ccccc8,0.0
26317,CO-ADD:0217431,7.18,N(\C(=C/c(ccc1c2ccc(cc2)Br)o1)\C(O3)=O)=C3c(ccc(c45)OCO4)c5,0.0
26318,CO-ADD:0217616,7.17,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(COc(cc4)ccc4Br)=O.CC(=O)O,0.0
26319,CO-ADD:0325999,7.17,C1(S2)(N(c3ccccc3)C(=C2C(OCC)=O)C)N(c4ccccc4)N=C(C(OC)=O)S1,0.0
26320,CO-ADD:0329467,7.17,C1(CC(C)=CCN1P(OCC)(OCC)=O)(C(OC)=O)C(F)(F)F,0.0
26321,CO-ADD:0215077,7.17,c1(c2ccccc2)nonc1OCCCNc(cc3)c(Cl)cc3[N+](=O)[O-],0.0
26322,CO-ADD:0215749,7.17,c12c(ccc(c1)NC(CCc3ccccc3)=O)c4c(cccc4)o2,0.0
26323,CO-ADD:0326681,7.17,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4cccc(Cl)c4,0.0
26324,CO-ADD:0328836,7.17,C1C(C(C)(C)C2C([C@H]3NC(=O)NC(=C)[C@]3(Cl)C(=O)C)=C1)C2,0.0
26325,CO-ADD:0326393,7.17,n1(c(C)c(nn1)C(C)=O)c2nc(N(CC3)CCO3)nc(N(CC4)CCO4)n2,0.0
26326,CO-ADD:0214989,7.17,c1(N\N=C\c(cc2)ccc2Cl)c(Cl)cc(cc1Cl)Cl,0.0
26327,CO-ADD:0217180,7.17,S(=O)(=O)(c1ccc(cc1)I)NCC(=O)NCc2ccccc2,0.0
26328,CO-ADD:0217036,7.17,C(OCCN(C(C)C)C(C)C)(=O)c1ccccc1C.Cl,0.0
26329,CO-ADD:0328628,7.17,N1=C(CSc(nc(c(ccc(c23)OCO2)c3)cc4C(F)(F)F)n4)c(c5CC1(C)C)cccc5,0.0
26330,CO-ADD:0217096,7.17,N1(CCC)C=CC(C=C1)=N.I,0.0
26331,CO-ADD:0329758,7.17,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(OC)c2)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
26332,CO-ADD:0217536,7.17,c1(oc(c2n1)ccc(c2)\N=C\c(c(C)c(Br)c(c3Br)O)c3O)c4cc(Cl)ccc4Cl,0.0
26333,CO-ADD:0324860,7.17,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc3c4cc(Cl)cc(Cl)c4)o3)\C2=N,0.0
26334,CO-ADD:0323618,7.17,C(NCC(C1)(C2)CC(CC2C3)CC13)(C(F)(F)F)(C(F)(F)F)NC(=O)c4cccc(F)c4,0.0
26335,CO-ADD:0323722,7.17,c1(C(OC)=O)c(c2c(cccc2)cc3)n3c(C(OC)=O)c1C(OC)=O,0.0
26336,CO-ADD:0323497,7.17,n1(c(CCCC)nn2)c2SCC(c3ccc(cc3)Br)=N1.Br,0.0
26337,CO-ADD:0323229,7.17,c12c(CCNC1c(cc3)ccc3C(O)=O)cc(c(OCC)c2)OCC.Cl,0.0
26338,CO-ADD:0323245,7.17,c1(C(OCC)=O)sc2c(c(COC)cc(C)n2)c1\N=C\c3ccccc3[N+](=O)[O-],0.0
26339,CO-ADD:0323254,7.17,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(c4ccc(c(OC)c4)OC)cc(n1)C(F)(F)F,0.0
26340,CO-ADD:0323015,7.17,[nH]1c2c(nc1SCc(cc3)ccc3[N+](=O)[O-])cccn2,0.0
26341,CO-ADD:0323783,7.17,c1(cc(oc1C)CC(C)C)C(=O)NC(CCSC)C(O)=O,0.0
26342,CO-ADD:0323333,7.17,c1(n2)c(C(N(C)C(=O)N1C)=O)n(c2N3CCCCC3C)CC(c4ccccc4)=O,0.0
26343,CO-ADD:0320663,7.17,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3C(c4ccccc4)=O,0.0
26344,CO-ADD:0165039,7.17,COc1ccc(OC)c(c1)C(O)CNC(=O)CN.Cl,0.0
26345,CO-ADD:0320323,7.17,C(=C/c(ccc(c1OC)O)c1)(/C2=O)\C(=O)OC3(CCCCC3)O2,0.0
26346,CO-ADD:0217283,7.17,c1(ccc(\C=N\c(cc2)ccc2c3ccccc3)o1)Sc4cccc(cccn5)c45,0.0
26347,CO-ADD:0326053,7.17,c12c(nnc(SCC(=O)NCc(ccc(c34)OCO3)c4)n1)c5c(cccc5)n2C,0.0
26348,CO-ADD:0217660,7.17,c1(csc(\C=N\NC(COc(ccc(c2C)C)c2)=O)c1)[N+](=O)[O-],0.0
26349,CO-ADD:0326469,7.17,C1(C2=O)C(C(NC1(C)C(O)=O)c3cc(Cl)cc(Cl)c3O)C(N2c4ccccc4)=O,0.0
26350,CO-ADD:0326142,7.17,C1(O)(CC(=O)c(ccc(c23)OCO2)c3)C(=O)Nc(ccc(C)c4Br)c14,0.0
26351,CO-ADD:0217412,7.17,c1(cc(C)c(cc1[N+](=O)[O-])C)c2ccc(\C=N\NC(=O)c(cc3)ccc3[N+](=O)[O-])o2,0.0
26352,CO-ADD:0329436,7.17,[N+](=O)([O-])c(cccc1C(NCCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)=O)c1,0.0
26353,CO-ADD:0215045,7.17,C(C)(c1ccccc1)(c2ccc(cc2)OC(C)=O)c3ccc(cc3)OC(C)=O,0.0
26354,CO-ADD:0217722,7.17,C(O)(=O)c1cccc(c1)\N=C\c(cc2)ccc2OCc3ccccc3,0.0
26355,CO-ADD:0215042,7.17,N1(c2ccccc2)C(\C=C\c3cccc(Br)c3)=Nc(c4C1=O)cccc4,0.0
26356,CO-ADD:0215058,7.16,c1(c2ccc(cc2)NC(=O)C(C)=C)nc(c(cc3)ccc3NC(=O)C(C)=C)cc(c4ccccc4)n1,0.0
26357,CO-ADD:0327291,7.16,n1c(N)n[nH]c1CC(=O)N(c2ccc(cc2)OC)C3(CCCCC3)C(=O)Nc4ccccc4,0.0
26358,CO-ADD:0327693,7.16,n1(c2ccc(cc2)OC)nnnc1SCC(=O)N3c4c(cccc4)Sc(ccc(Cl)c5)c35,0.0
26359,CO-ADD:0326684,7.16,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc4sc(c(C)c4C(OCC)=O)C)n2,0.0
26360,CO-ADD:0217552,7.16,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(=O)c(c3)cc(cn3)Br,0.0
26361,CO-ADD:0217385,7.16,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(COc3c(OC)cc(cc3Br)Br)=O)o1,0.0
26362,CO-ADD:0217489,7.16,n1c2c(oc1c3ccc(cc3)\N=C\c4c(O)cc(c(Cl)c4C)C)cccc2C,0.0
26363,CO-ADD:0217497,7.16,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br,0.0
26364,CO-ADD:0321127,7.16,C(/CCc(c12)cc(cc1)OC)(=C/c(cc3)ccc3OC)\C2=O,0.0
26365,CO-ADD:0321143,7.16,c1(cc(O)ccc1NC(COc(cc2)ccc2OC)=O)C(O)=O,0.0
26366,CO-ADD:0321096,7.16,N1(CCc(cccc2)c12)C(=O)COc3ccccc3[N+](=O)[O-],0.0
26367,CO-ADD:0318951,7.16,c1(n(CC(=NN1C(C)=O)c2ccc(cc2)Br)c(c34)C(=O)N(C(=O)N3C)C)n4,0.0
26368,CO-ADD:0318947,7.16,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccccc4)c5ccc(cc5)Br,0.0
26369,CO-ADD:0320998,7.16,N1(c(cccc2C(F)(F)F)c2)C(=O)NC(\C(=C/c(cc3)ccc3O)\C1=O)=O,0.0
26370,CO-ADD:0321079,7.16,n(c1C)(nnc1C(c2ccccc2)=O)c3nonc3OC,0.0
26371,CO-ADD:0321048,7.16,N(c(cccc1)c1C(O2)CC)=C2c(cc3)ccc3[N+](=O)[O-],0.0
26372,CO-ADD:0321374,7.16,N(CC1N2CCc(cccc3)c13)(C2c(cccc4[N+](=O)[O-])c4)S(=O)(=O)c5ccc(c6c5cccn6)OC,0.0
26373,CO-ADD:0319763,7.16,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)Cl)Nc2sc(c3c2C#N)CC(CC3)C,0.0
26374,CO-ADD:0318849,7.16,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)Br)=C(O)C(N2Cc(cccn4)c4)=O,0.0
26375,CO-ADD:0319571,7.16,c1(N(CC2)CCO2)nc(Cn3nnc(c(ccc(c45)OCO4)c5)n3)nc(N)n1,0.0
26376,CO-ADD:0321492,7.16,c1(ccc(cc1Cl)Cl)C(N)CC(O)=O,0.0
26377,CO-ADD:0217236,7.16,C(=O)(C(NCCOC)=O)Nc1c(OC)ccc(OC)c1,0.0
26378,CO-ADD:0326182,7.16,N1(c2ccc(cc2)Cl)C(=O)CC(N3CCC([C@]([H])(CCCC4)[C@]34[H])=O)C1=O,0.0
26379,CO-ADD:0326062,7.16,S1(=O)(=O)c2c(c3N1Cc4cccc(F)c4)c(ccc2)ccc3,0.0
26380,CO-ADD:0326041,7.16,C1(=C(C)NC(NC1=O)=O)S(NCCOC(CC(CC2C3)CC34)(C4)C2)(=O)=O,0.0
26381,CO-ADD:0326170,7.16,C1(NC(Cc2ccccc2)=O)(C(F)(F)F)C(=O)N(C3=N1)CCS3,0.0
26382,CO-ADD:0326562,7.16,N1(C(=O)CSc2nc(C)cc(C)c2C#N)c3c(cccc3)Sc(ccc(Cl)c4)c14,0.0
26383,CO-ADD:0326578,7.16,c(c(C)n1)(c2C)c(c(n1)C)c(n2c3ccc(cc3)N)C,0.0
26384,CO-ADD:0328806,7.16,N(CC(=O)C=C1C(C)(C)C)(C(C)(C)C)C1.Cl,0.0
26385,CO-ADD:0217754,7.16,c1(C(O)=O)c(C)oc(c2ccccc2)c1,0.0
26386,CO-ADD:0329472,7.16,C(C(OC)=O)(CC(=C)C(CCC(=C1)C)C1)(C(F)(F)F)NS(c2ccccc2)(=O)=O,0.0
26387,CO-ADD:0329880,7.16,S(=O)(=O)(N1CCCCC1c(cccn2)c2)c3c(OC)cc(c(C)c3)C,0.0
26388,CO-ADD:0217683,7.16,C(=O)(c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\c3ccc(cc3C)C)Oc(cc4)ccc4\C=N\c5ccc(cc5C)C,0.0
26389,CO-ADD:0328598,7.16,C(/N1)(\c2c(CC1(C)C)cc(OC)c(O)c2)=C/C(OCC)=O,0.0
26390,CO-ADD:0329150,7.15,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c3cccc(F)c3,0.0
26391,CO-ADD:0318976,7.15,N1(CNc2cccc(C)c2)C(=O)C3C(CCCC3)C1=O,0.0
26392,CO-ADD:0320659,7.15,[nH]1c(cccc2)c2c(CCNC(=O)c(cc3)ccc3C(OC)=O)c1C,0.0
26393,CO-ADD:0319550,7.15,c1(C2c3ccc(cc3)OCc4c(cccc4F)Cl)c([nH]nc1c5ccc(cc5)F)OC(N)=C2C#N,0.0
26394,CO-ADD:0323234,7.15,c1(nc(C)cc(C)n1)N\C(\N)=N\Cc2ccccc2Cl,0.0
26395,CO-ADD:0324739,7.15,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c(cc5)ccc5N(C)C)cccc4,0.0
26396,CO-ADD:0324781,7.15,c1(C(=O)c2ccc(cc2)F)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)cccc3,0.0
26397,CO-ADD:0324546,7.15,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(NCCc3ccccc3)=O)n2)Cc(cc4)ccc4Br,0.0
26398,CO-ADD:0164683,7.15,CC(=O)OC1C(C[C@H]2C3CC[C@H]4C[C@H](OC(=O)C)C(CC4(C)[C@H]3CCC12C)[N+]5(C)CCCCC5)[N+]6(C)CCCCC6.[Br-].[Br-],0.0
26399,CO-ADD:0324858,7.15,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc3c4ccccc4Cl)o3)\C2=N,0.0
26400,CO-ADD:0324091,7.15,c1(c(C)nc2n1cccn2)c3csc(NCC=C)n3,0.0
26401,CO-ADD:0164540,7.15,COc1ccc2[nH]c(nc2c1)S(=O)Cc1ncc(C)c(OC)c1C,0.0
26402,CO-ADD:0164621,7.15,CN1[C@@H](CCC1=O)c1cccnc1,0.0
26403,CO-ADD:0319124,7.15,c1(C(OCC)=O)c(C)c(sc1N)C(=O)NCc2ccccc2,0.0
26404,CO-ADD:0319429,7.15,C(NCCc(ccc(c1OCC)OCC)c1)(C(OC)=O)(C(F)(F)F)NC(c2ccccc2)=O,0.0
26405,CO-ADD:0319533,7.15,N1(CCc(c23)cccc2)C3CN\C(=C\C(=O)c4cccc(OC)c4)\C1=O,0.0
26406,CO-ADD:0319605,7.15,c1(cc(ccc1N(CC2)CCO2)[N+](=O)[O-])C(=O)Nc3ccc(c(cccn4)c34)Br,0.0
26407,CO-ADD:0319430,7.15,c1(c2c(cs1)CCCC2)C(=O)N(CC3)CCN3C,0.0
26408,CO-ADD:0330043,7.15,C(C(OC)=O)(c1cccs1)(C(F)(F)F)NC(=O)C(F)(F)F,0.0
26409,CO-ADD:0329492,7.15,C(=O)(Oc1c(Cl)cc(c(cccn2)c12)Cl)N3CCCCC3CC,0.0
26410,CO-ADD:0326123,7.15,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccccc4)c3C#N)C#N,0.0
26411,CO-ADD:0325948,7.15,c12c(ncnc1N3CCCC3)scc2C4COc(c5O4)cccc5,0.0
26412,CO-ADD:0327568,7.15,S(=O)(=O)(N(CC)Cc1ccccc1)c2[nH]ncn2,0.0
26413,CO-ADD:0327697,7.15,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)Cc4cccs4)cc(cc3)OC,0.0
26414,CO-ADD:0215071,7.15,n1(CC)c2c(c(cc(cc3)NC(=O)C\C(\C)=N\NC(=O)c4cc(OC)cc(OC)c4)c13)cccc2,0.0
26415,CO-ADD:0326839,7.15,c(C(=O)Nc(cc1)ccc1OC(F)(F)F)(c2N)sc3c2cc(c4n3)CCCC4,0.0
26416,CO-ADD:0215192,7.15,C(OC(C)CCCCCC)(=O)Nc(cc1)ccc1OC(CC)=O,0.0
26417,CO-ADD:0215224,7.15,N1\C(=N/N=C/c2ccccc2Cl)\S\C(=C\c(ccc(c3[N+](=O)[O-])Br)c3)\C1=O,0.0
26418,CO-ADD:0328171,7.15,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)c(C)cc(NC(c3ccccc3)=O)c2C,0.0
26419,CO-ADD:0330073,7.15,c12c(CCNC1c3ccc(c(OC)c3)OC)cc(c(OCC)c2)OCC.Cl,0.0
26420,CO-ADD:0326248,7.15,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCC(O)c3ccccc3,0.0
26421,CO-ADD:0329247,7.15,S(NCC=C)(=O)(=O)c(ccc(c1N2)NC2=O)c1,0.0
26422,CO-ADD:0329912,7.15,c1(c2ccco2)nnc(c3ccc(cc3)NC(Cc4ccccc4)=O)o1,0.0
26423,CO-ADD:0329960,7.15,N#CCc(cc1)ccc1NC(COc2cccc(Br)c2)=O,0.0
26424,CO-ADD:0321138,7.15,C1(c2ccc(cc2)Cl)(CC(=O)Nc3ccccc3C(OC)=O)C(=O)c4c(cccc4)C1=O,0.0
26425,CO-ADD:0321156,7.15,C1(SC(F)(F)C(F)C(F)(F)F)=C(O)c2c(cccc2)OC1=O,0.0
26426,CO-ADD:0323356,7.15,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc5cccc(O)c5)c2,0.0
26427,CO-ADD:0324709,7.15,[nH]1c(cccc2)c2c(CCNCC(C)(C)C)c1C,0.0
26428,CO-ADD:0324487,7.15,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc4ccc(cc4F)F)n2,0.0
26429,CO-ADD:0324496,7.15,[N+](=O)([O-])c1ccc(cc1Oc(cc2)c(Cl)cc2C(F)(F)F)OC(=O)C(C(F)(F)F)C(F)(F)F,0.0
26430,CO-ADD:0324641,7.15,C1(CC(OC12CCCCC2)=O)C(=O)N([H])c(c(OC)ccc3[N+](=O)[O-])c3,0.0
26431,CO-ADD:0324793,7.15,c1(N2CCCCC2)nc(NCC(OCC)=O)nc(Nc(cccc3C(F)(F)F)c3)n1,0.0
26432,CO-ADD:0321520,7.15,c1(c(C)onc1c2ccccc2Cl)C(=O)NC(C)Cc3ccccc3,0.0
26433,CO-ADD:0324387,7.15,N1(CCCCCC(=O)NC2=CC=CNC2=O)C(=O)c(c3C1=O)cccc3,0.0
26434,CO-ADD:0323378,7.15,c12c(c(cc(C)c1N)C)nc(C)cc2Cl,0.0
26435,CO-ADD:0319150,7.15,c1(NC(CSc2nc(N)cc(N)n2)=O)nonc1N,0.0
26436,CO-ADD:0319174,7.15,n1(N)c(COc2ccccc2)nnc1COc3ccccc3,0.0
26437,CO-ADD:0217493,7.15,c1(c(Cl)ccc(c1)c2ccc(\C=N/c3ccccc3)o2)C(O)=O,0.0
26438,CO-ADD:0158137,7.14,[O-][N+](C1=C(C)C=CC(/C=N/NC(C2=CC(C=CC=C3)=C3C=C2O)=O)=C1)=O,0.0
26439,CO-ADD:0158241,7.14,[O-][N+](C1=C(C=CC=C1)C(N/N=C/C2=CC=C(C3=CC([N+]([O-])=O)=CC=C3)O2)=O)=O,0.0
26440,CO-ADD:0329804,7.14,c1(CN(c2ccc(cc2)I)C(=O)Nc3ccccc3)nnc(CCCCC4)n14,0.0
26441,CO-ADD:0326802,7.14,C1(=O)Nc(ccc(c2)C)c2Oc(cc(cc3Oc4ccccc4Br)[N+](=O)[O-])c13,0.0
26442,CO-ADD:0326811,7.14,C(C(=O)c1ccc(cc1)F)(C2c3ccc(cc3)F)=C(O)C(N2Cc(cccn4)c4)=O,0.0
26443,CO-ADD:0326819,7.14,n1(c2c(C)cccc2C)nnnc1C3(CCCC3)NCCc(c4c([nH]5)cccc4)c5C,0.0
26444,CO-ADD:0326867,7.14,c(sc(n1)Nc(cccc2C(F)(F)F)c2)(C(=O)Nc3onc(C)c3)c1N,0.0
26445,CO-ADD:0328415,7.14,c12c(CCNC1=O)c3c(cccc3)[nH]2,0.0
26446,CO-ADD:0327361,7.14,C1(=C(Nc2ccccc2)C(c(cccc3)c3C1=O)=O)n4c5c(nn4)cccc5,0.0
26447,CO-ADD:0327537,7.14,c1(C(=O)c2ccc(cc2)OC)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)cccc3,0.0
26448,CO-ADD:0327553,7.14,c(S(NCC=C)(=O)=O)(nn(c12)c(C)c(c(C)n1)C)n2,0.0
26449,CO-ADD:0327714,7.14,S(=O)(=O)(c1ccc(cc1)F)N2Cc3c(CC2C(=O)Nc4c(cccc4Cl)Cl)cccc3,0.0
26450,CO-ADD:0328690,7.14,S(=O)(=O)(NCc(ccc1C(OCC)=O)o1)c(cccc2S(=O)(=O)c3ccc(cc3)Cl)c2,0.0
26451,CO-ADD:0328219,7.14,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)c(C)cc(NS(=O)(=O)c3ccc(cc3)OC)c2C,0.0
26452,CO-ADD:0328235,7.14,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)cc(c(c2)NS(c3ccccc3)(=O)=O)C,0.0
26453,CO-ADD:0327980,7.14,c1(c(C)ccc(nsn2)c12)S(=O)(=O)NCc(ccc(c34)OCO3)c4,0.0
26454,CO-ADD:0327900,7.14,C(=O)(c1ccccc1F)NC(=O)Nc(cc2)cc(c2N(CC3)CCN3C)Cl,0.0
26455,CO-ADD:0327652,7.14,c1(C#N)c(COC)cc(nc1SCC(=O)NCc2ccco2)C,0.0
26456,CO-ADD:0327482,7.14,n1(c2)c(cccc1)cc2c(ccc(c34)OCO3)c4,0.0
26457,CO-ADD:0327792,7.14,c1([C@H]2C[C@@H](C(C)(C)[C@@]23C)CC3)c(O)c([C@H]4[C@](C(C)(C)[C@H]5C4)(C)CC5)cc(CNCCCC)c1,0.0
26458,CO-ADD:0327280,7.14,C12=C(C(NC(C)=N1)=O)SC(=S)N2CC,0.0
26459,CO-ADD:0327296,7.14,C1(OCC(CO1)(CO2)COC2(c3c(N4CN(CC5)CCO5)cccc3)C4=O)(c6c(N7CN(CC8)CCO8)cccc6)C7=O,0.0
26460,CO-ADD:0319986,7.14,N(CN(CC1)CCO1)(N=C(N2c3ccccc3)COc4ccccc4)C2=S,0.0
26461,CO-ADD:0319164,7.14,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc(cc4)ccc4NC(=O)c5ccc(cc5Cl)Cl,0.0
26462,CO-ADD:0319484,7.14,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(OCC)c3)n1,0.0
26463,CO-ADD:0319412,7.14,C(/C(c1ccccc1)=O)=C(\NCCN2)/C2=O,0.0
26464,CO-ADD:0319373,7.14,c1(SCc(c(OC)ccc2C3SCC(C(O)=O)N3)c2)oc(c4n1)cccc4,0.0
26465,CO-ADD:0320022,7.14,C1(=C(CCCC1=O)OC(=C23)CCCC2=O)C3c(cc4OCC)cc(c4O)Br,0.0
26466,CO-ADD:0321481,7.14,c1(sc(c23)nc(c(Cl)c2C)C)c3ncn(c4c(cccc4)n5)c15,0.0
26467,CO-ADD:0321274,7.14,N1(c2ccc(cc2C)C)C(=O)C(C3C1=O)C(C)(CC4=O)CC34C,0.0
26468,CO-ADD:0319274,7.14,N12C(S\C(=C/c(ccc3c4ccccc4F)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
26469,CO-ADD:0319812,7.14,C(/Nc(ccc(c1Cl)Cl)c1)(\Nc2nc(C)cc(C)n2)=N\C(CC)=O,0.0
26470,CO-ADD:0324131,7.14,S(=O)(=O)(Nc1ccccc1OCC)c2c(OC)ccc(OC)c2,0.0
26471,CO-ADD:0324553,7.14,c1(c2ccccc2Cl)nnn(CC(NCCc(ccc3OCC)cc3OCC)=O)n1,0.0
26472,CO-ADD:0324082,7.14,c1(c(O)nc(c2n1)cccc2)C(=S)N(CC3)CCO3,0.0
26473,CO-ADD:0324378,7.14,C(=O)(Nc(ccc(c1Br)C)c1)CCN(CC2)CCN2CCO.Cl.Cl,0.0
26474,CO-ADD:0164759,7.14,Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl,0.0
26475,CO-ADD:0159688,7.14,O[C@@H]1[C@H](O)[C@@H](COP(O[C@@H](C)CC2[C@@H](O)[C@@H](O)[C@H](O)[C@@H]([C@H](O)CO)O2)(O)=O)O[C@H]1N(C=N3)C4=C3C(N)=NC=N4.CCN(CC)CC,0.0
26476,CO-ADD:0328698,7.14,N12C(CSC1c3ccc(cc3)F)C(N(c(cc4)ccc4C(OCC)=O)C2=S)=O,0.0
26477,CO-ADD:0215456,7.14,C(CSCc1ccccc1Br)(=O)N\N=C\c2ccccc2,0.0
26478,CO-ADD:0329539,7.14,S(=O)(=O)(c1cccs1)N(c2ccc(cc2)OC(c3ccccc3)=O)C(c4ccccc4)=O,0.0
26479,CO-ADD:0215248,7.14,c1(c(cc2)ccn2)oc(cn1)c3ccc(cc3)C,0.0
26480,CO-ADD:0318763,7.14,n1(c2ccccc2)c(SCc(cccc3[N+](=O)[O-])c3)nnc1c4cccc(F)c4,0.0
26481,CO-ADD:0320379,7.13,C1(NC(=O)c2cc(OC)cc(OC)c2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
26482,CO-ADD:0321029,7.13,C1(c2ccccc2)(CC1)NC(=O)N(C)Cc3scc(c4ccccc4)n3,0.0
26483,CO-ADD:0323178,7.13,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cccc(F)c5,0.0
26484,CO-ADD:0321070,7.13,C(C(OC)=O)(=CN(CCOC(C1)(CC(CC12)CC3C2)C3)C=C4C(OC)=O)C4c5ccc(cc5)OC,0.0
26485,CO-ADD:0324730,7.13,N1(c(cccc2C(F)(F)F)c2)C(c3ccc(c4c3)OCO4)C(C1=O)Oc5ccc(cc5C)Cl,0.0
26486,CO-ADD:0323446,7.13,N1(c2cccc(Cl)c2Cl)C(=O)CC(CS3(=O)=O)C1C3,0.0
26487,CO-ADD:0318754,7.13,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(C)c4)c5ccc(cc5)Br,0.0
26488,CO-ADD:0319740,7.13,N1(Cc(cccc2C(F)(F)F)c2)c3c(OC1=O)cccc3,0.0
26489,CO-ADD:0165030,7.13,NCc1ccc(cc1)S(N)(=O)=O.CC(=O)O,0.0
26490,CO-ADD:0165038,7.13,C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12,0.0
26491,CO-ADD:0165054,7.13,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,0.0
26492,CO-ADD:0324538,7.13,Cc(cc1C)cc(C)c1N(N=NN2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
26493,CO-ADD:0164774,7.13,CN\C(NCCSCc1ccc(CN(C)C)o1)=C/[N+]([O-])=O.Cl,0.0
26494,CO-ADD:0164398,7.13,Nc1ccc2c[nH]nc2c1,0.0
26495,CO-ADD:0321203,7.13,c1(C2OCCS2)c3c(n(c4ccccc4)n1)cc(cc3SCCC(OC)=O)[N+](=O)[O-],0.0
26496,CO-ADD:0319583,7.13,c1(c2ccc(cc2)OCC)cc(c(cccn3)c3)nc(ccc(cccc4)c45)c15,0.0
26497,CO-ADD:0319544,7.13,C1(=O)Nc2c(Oc(cc(cc3Oc4ccccc4Br)[N+](=O)[O-])c13)cccc2,0.0
26498,CO-ADD:0158144,7.13,[O-][N+](C1=CC(/C(C(N2)=O)=N\C(C=CC=C3)=C3O)=C2C=C1)=O,0.0
26499,CO-ADD:0158184,7.13,N#CC1=C(N)SC(N)=C(C#N)C1C2=CC(Br)=CC=C2OC,0.0
26500,CO-ADD:0159673,7.13,O=Cl(=O)([O-])=O.O=Cl(=O)([O-])=O.O=C(C1=CC=C(C2=CC=CC3=C12)N4N=[N+]5C(C[N+]67CC[N+]8(CCC[N+]9%10CC%11=CN(N=[N+]%11[Zn]8695[N+]([H])(CCC7)CC%10)C%12=CC=C(C%13=C(C%14=O)C=CC=C%13%12)C(N%14CC)=O)[H])=C4)N(C3=O)CC.O,0.0
26501,CO-ADD:0326028,7.13,[N+](=O)([O-])c1c(ccc(C(c(cc2)ccn2)=O)c1)SCC(=O)Nc(ccc(c34)cccc3)c4,0.0
26502,CO-ADD:0159675,7.13,FC(F)(C([O-])=O)F.FC(F)(C([O-])=O)F.FC(F)(C([O-])=O)F.O=C(NCCCN1N=NC(CN2CC[N+]([H])([H])CCC[N+]([H])([H])CC[N+]([H])([H])CCC2)=C1)CCCC[C@@H]3SC[C@H](N4)[C@@H]3NC4=O,0.0
26503,CO-ADD:0328848,7.13,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)c(ccc4[N+](=O)[O-])o4,0.0
26504,CO-ADD:0327409,7.13,c(NC(CSc1nccn1C)=O)(c(C(N)=O)nn2c3ccccc3)n2,0.0
26505,CO-ADD:0327457,7.13,n1(CC=C)c(SCC(=O)Nc2cccc(OC)c2)nnc1c3cccs3,0.0
26506,CO-ADD:0327465,7.13,C1(c2cccc(N)c2)=NCCN1.Cl,0.0
26507,CO-ADD:0328116,7.13,C1(=Cc(cccc2OC)c2OC1=O)C(=O)N(CC3)CCN3c4ccc(cc4)C,0.0
26508,CO-ADD:0327841,7.13,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3sccn3)C24CCCCC4,0.0
26509,CO-ADD:0328057,7.13,C(/N1)(=C/C(=O)c2ccc(cc2)Cl)\C(\NCC1)=C\C(=O)c3ccc(cc3)Cl,0.0
26510,CO-ADD:0328920,7.13,n(c1C)c(C)c(cc1NC(OCC)=O)NC(OCC)=O,0.0
26511,CO-ADD:0217715,7.12,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4Cl,0.0
26512,CO-ADD:0215027,7.12,c1(cc(ccc1NC(=O)\C=C\C=C\C)Cc(ccc(c2C#N)NC(=O)\C=C\C=C\C)c2)C#N,0.0
26513,CO-ADD:0328563,7.12,C1(C#N)=C(CC)C2=C(CCC2)NC1=O,0.0
26514,CO-ADD:0328595,7.12,N1(C(c2ccc(cc2)Cl)C(=O)Nc3c(C)cccc3C)C(c4ccc(cc4)OC(C)C)CC1=O,0.0
26515,CO-ADD:0327313,7.12,N(C(=O)\C(\S1)=C/c(cc2)ccc2N(C)C)=C1N3CCC(CC3)Cc4ccccc4,0.0
26516,CO-ADD:0328755,7.12,c1(c(C)cc(nc1Cl)Cl)C(=O)Nc(cc2)ccc2CC,0.0
26517,CO-ADD:0319440,7.12,[N+](=O)([O-])c1ccc(cc1)\C=C\C(NCCOc(cc2)ccc2F)=O,0.0
26518,CO-ADD:0319983,7.12,c1(ccccc1c2ccccc2)NC(CSCC(=O)Nc(ccc(c34)cccc3)c4)=O,0.0
26519,CO-ADD:0318975,7.12,N1(CC(O)COc2ccccc2)C(=O)c3c(cccc3)C1=O,0.0
26520,CO-ADD:0318984,7.12,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)C)CC(O)CN(CCCC)CCCC,0.0
26521,CO-ADD:0321145,7.12,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cc(on4)C,0.0
26522,CO-ADD:0324514,7.12,c1(noc(Cc(ccc(c2OCC)OCC)c2)n1)c3nonc3N,0.0
26523,CO-ADD:0324643,7.12,n1([H])c(cccc2)c2c(CCN([H])C(=O)c3ccccc3OCC)c1C,0.0
26524,CO-ADD:0323878,7.12,c1(Nc(cc2)ccc2OCC(OC)=O)c3c(cccc3)c(nn1)C,0.0
26525,CO-ADD:0321571,7.12,C(/C(=O)NCc(ccc(c12)OCO1)c2)(\NC(=O)c3ccc(c(C)c3)C)=C/c4cccs4,0.0
26526,CO-ADD:0324025,7.12,C1(C(=O)Nc(cc2)ccc2OC(F)(Cl)F)=Cc3c(OC1=O)ccc(Br)c3,0.0
26527,CO-ADD:0319317,7.12,n1(c2ccccc2)c(SCc3ccccc3Cl)nnc1c(cc4)ccc4C(C)(C)C,0.0
26528,CO-ADD:0321304,7.12,N1(N=C(S2)CCCCCCC)C2=NC(=O)\C(=C/c(ccc(c3OC)O)c3)\C1=N,0.0
26529,CO-ADD:0323990,7.12,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4c(OCC)ccc(OCC)c4,0.0
26530,CO-ADD:0319757,7.12,N1(c2ccccc2OC)C(=O)\C(=C\Nc3ccccc3OC)\C(NC1=O)=O,0.0
26531,CO-ADD:0320765,7.12,c1(c2ccccc2F)nnn(CC(=O)Nc3ccccc3OC)n1,0.0
26532,CO-ADD:0323808,7.12,C1(C(NCCc(c2c([nH]3)cccc2)c3C)=O)=Cc4c(OC1=O)ccc(Br)c4,0.0
26533,CO-ADD:0320734,7.12,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c(cc(OCC)c(c5[N+](=O)[O-])O)c5,0.0
26534,CO-ADD:0323849,7.12,S(=O)(=O)(NC(CC)C12CC3CC(CC(C3)C1)C2)c4ccc(c(Cl)c4OC)Cl,0.0
26535,CO-ADD:0319104,7.12,C(CSc1cccc(cccn2)c12)(=O)N\N=C\c(cc3)ccc3F,0.0
26536,CO-ADD:0324367,7.12,N12C(S\C(=C/c(ccc3c(cccc4C(O)=O)c4)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
26537,CO-ADD:0319146,7.12,c1(NC(CSc2snc(SC)n2)=O)nonc1N,0.0
26538,CO-ADD:0319050,7.12,c1(nncn1C)S\C(\C(C)=O)=N\Nc(cc2)ccc2C,0.0
26539,CO-ADD:0158016,7.12,O=C(CCCCCCC(C(C=C1)=CC=C1OC)=O)C2=CC=C(OC)C=C2,0.0
26540,CO-ADD:0158288,7.12,O=C(NC1=CC(C=CC=C2)=C2C=C1)C3=C(C)OC(C4=CC=CC=C4)=C3,0.0
26541,CO-ADD:0158312,7.12,CN1CC2=C(CC1)NC3=C2C=CC(C)=C3.Cl,0.0
26542,CO-ADD:0158267,7.12,O=C(N/N=C/C(C=CC=C1)=C1OCCCCC)C2=CC(F)=CC=C2,0.0
26543,CO-ADD:0318831,7.12,C1(NC(COc2ccc(cc2F)F)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
26544,CO-ADD:0217490,7.12,[N+](=O)([O-])c(cc1)cc(c1c2ccc(\C=N\c3ccc(cc3OC)OC)o2)Cl,0.0
26545,CO-ADD:0326505,7.12,C(C#N)(C(c1ccc(c(O)c1)OC)C2=C(N3c4ccccc4Cl)CCCC2=O)=C3N,0.0
26546,CO-ADD:0327609,7.12,c(C(OCC)=O)(c1C)[nH]c(c1CNc2c(OC)ccc(OC)c2)C,0.0
26547,CO-ADD:0328073,7.12,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2ccc(c(cccc3)c23)OC,0.0
26548,CO-ADD:0327881,7.11,C(NCCC(NCC=C)=O)(=O)Nc1cccc(Cl)c1,0.0
26549,CO-ADD:0326638,7.11,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc4ccccc4C(F)(F)F)n2,0.0
26550,CO-ADD:0215844,7.11,C(=O)(Nc1cc(C)ccc1C)C(=O)NC(C)c2ccccc2,0.0
26551,CO-ADD:0214980,7.11,N1(\N=C/c2c3c(cccc3)ccc2OS(=O)(=O)c(cc4)ccc4[N+](=O)[O-])C(=O)c5c(cccc5)C1=O,0.0
26552,CO-ADD:0214977,7.11,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc2ccc(c3c2\C=N\Nc4ccccc4)cccc3,0.0
26553,CO-ADD:0217656,7.11,N1(SCCCCC)C(=O)c2c(cccc2)C1=O,0.0
26554,CO-ADD:0329772,7.11,C(NC(C)=O)(C(F)(F)F)(C1=O)NC(N1Cc2ccco2)=O,0.0
26555,CO-ADD:0329317,7.11,c1(sc(c2n1)cccc2)N\C(\NC(=O)c3ccc(cc3)OC)=N/C(=O)c4ccc(cc4)OC,0.0
26556,CO-ADD:0328559,7.11,C1(=O)Nc(ccc(c2)C)c2Oc(cc(cc3Oc(cc4)ccc4C)[N+](=O)[O-])c13,0.0
26557,CO-ADD:0328255,7.11,n1(c2c(n3)cccc2)c3NC(C)=C(CCC)C1=O,0.0
26558,CO-ADD:0328295,7.11,S(=O)(=O)(c1ccc(cc1)Cl)NC(CC2(C)C)CC(N2)(C)C,0.0
26559,CO-ADD:0319504,7.11,c1(ccccc1Br)C(NCCOc2cccc(OC)c2)=O,0.0
26560,CO-ADD:0319185,7.11,N1(CCc(cccc2)c12)C(=O)COc3cccc(Br)c3,0.0
26561,CO-ADD:0319505,7.11,N(c1ccccc1)(C(=O)c(cc2)ccc2n3cnnn3)C4(CCCC4)C(=O)Nc5c(C)cccc5C,0.0
26563,CO-ADD:0324723,7.11,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5cccc(O)c5)cccc4,0.0
26564,CO-ADD:0324499,7.11,N1(CCCCCC(=O)NC(c2ccco2)CC(O)=O)C(=O)c3c(cccc3)C1=O,0.0
26565,CO-ADD:0323476,7.11,C(NCC(C1)(CC(CC12)CC3C2)C3)(NC(C)=O)(C(F)(F)F)C(F)(F)F,0.0
26566,CO-ADD:0164656,7.11,CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1.CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1.OS(=O)(=O)O,0.0
26567,CO-ADD:0319326,7.11,n1c(C)ccc(cccc2SCC(=O)Nc(cc3)ccc3C(OCCCC)=O)c12,0.0
26569,CO-ADD:0164684,7.11,Clc1ccccc1CN1CCc2sccc2C1.Cl,0.0
26570,CO-ADD:0323906,7.11,C1(c2ccccc2)(CC1)NC(=O)N(CC3)CCN3c4ccc(cc4)F,0.0
26571,CO-ADD:0323647,7.11,C(=O)(c(cc1OCC)cc(c1OCC)OCC)Nc2ccc(cn2)Cl,0.0
26572,CO-ADD:0320100,7.11,C1(=C(CC(c2ccccc2)CC1=O)Nc3c(ccc(Cl)c3)N4C(=O)\C=C\c5ccccc5)C4c6cccc(OC)c6,0.0
26573,CO-ADD:0319685,7.11,C1(=C(CC(c2ccc(cc2)OC)CC1=O)Nc(c3N4C(CC)=O)cccc3)C4c(cc5OC)cc(c5OC)OC,0.0
26574,CO-ADD:0324266,7.11,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCc(cccn3)c3,0.0
26575,CO-ADD:0323786,7.11,n12c(c(c(c3ccc(cc3)Br)c1C(=S)Nc4ccccc4)CCCC5)n5c(CNc(cc6)ccc6OC)n2,0.0
26576,CO-ADD:0320913,7.11,C1(C)(C(OCC)=O)C(Br)=C(C(=O)N1c2ccc(cc2)F)O,0.0
26577,CO-ADD:0324204,7.11,C(C(OCC)=O)(C(c(cc1)ccc1C(F)(F)F)N2)=C(CCC)N(C2=O)C,0.0
26578,CO-ADD:0324423,7.11,[N+](=O)([O-])c(cc1)ccc1C(O)C(COC(=O)c(cc2OC)cc(c2OC)OC)NC(=O)C(Cl)Cl,0.0
26579,CO-ADD:0324855,7.11,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc3c(cc4)ccc4C(OCC)=O)o3)\C2=N,0.0
26580,CO-ADD:0321393,7.11,C12=C(CCCC1=O)Nc(c3C2c4ccc(cc4Cl)Cl)ccc5c3ccc(n5)C,0.0
26581,CO-ADD:0321513,7.1,c(Sc(cc1C(C)(C)C)cc(c1O)C(C)(C)C)(c(Cl)c(Cl)nc2NNC(=S)Nc(cc3)ccc3C(F)(F)F)c2Cl,0.0
26582,CO-ADD:0217579,7.1,C(=O)(N\N=C\c(cc1)ccn1)C(C)Oc(ccc(c23)cccc2)c3,0.0
26583,CO-ADD:0217547,7.1,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(=O)\C(\NC(c3ccccc3)=O)=C/c4cccs4)Br,0.0
26584,CO-ADD:0157956,7.1,O=C(OCC)C1=C(CN2CCN(C)CC2)OC3=C1C=C(OC)C=C3.Cl.Cl,0.0
26585,CO-ADD:0154550,7.1,O=C(C)/C(C(OCC)=O)=CC1=CC=CC=C1,0.0
26587,CO-ADD:0329393,7.1,[N+](=O)([O-])c(cc(Oc1cccc(Cl)c1)c(c23)C=Cc(cccc4)c4O2)c3,0.0
26588,CO-ADD:0217562,7.1,C(=O)(NCC(=O)N\N=C\c1ccc(C)o1)c2ccco2,0.0
26589,CO-ADD:0216907,7.1,[N+](=O)([O-])c(ccc(c1\C=N\NC(CSCc2ccccc2C)=O)OC)c1,0.0
26590,CO-ADD:0329769,7.1,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)N(C(=O)N1)c3ccc(cc3)OC,0.0
26591,CO-ADD:0329738,7.1,C1(C(F)(F)F)(NC(c2ccccc2)=O)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
26592,CO-ADD:0327117,7.1,N1(c2ccccc2Cl)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccccc4C,0.0
26593,CO-ADD:0325930,7.1,C(O)(C(F)(F)F)(C(F)(F)F)c(c(O)cc(c1C(O)(C(F)(F)F)C(F)(F)F)O)c1,0.0
26594,CO-ADD:0326339,7.1,c1(ccc(c(OC)c1)OC)C(=O)CCN(CC)CC.Cl,0.0
26595,CO-ADD:0327271,7.1,N(\C(=C\c1cc(cccc2)c2nc1N(CC3)CCO3)\C(O4)=O)=C4c5ccccc5,0.0
26596,CO-ADD:0328820,7.1,N12C(SC(C(F)(F)F)=N1)=NC(=O)\C(=C\c(cc3OC)cc(c3OCc4ccccc4)Cl)\C2=N,0.0
26597,CO-ADD:0329470,7.1,C(C(OC)=O)(NS(C)(=O)=O)(C(F)(F)F)c1cccn1C,0.0
26598,CO-ADD:0330054,7.1,c1(C(NCCc2ccccc2)=O)sc3c(c(C)cc(C)n3)c1N,0.0
26599,CO-ADD:0329439,7.1,C1(=Cc2c(OC1=O)cccc2)C(=O)N(CC3)CCN3c4ccccc4F,0.0
26600,CO-ADD:0329655,7.1,S1(=O)(=O)c2c(c3N1Cc4ccccc4F)c(ccc2)ccc3,0.0
26601,CO-ADD:0328044,7.1,c12c(nnc(SCc(ccc(c3n4)no4)c3)n1)c5c(cccc5)n2CC=C,0.0
26602,CO-ADD:0217464,7.1,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(OC)ccc2O)=C\c3cccs3,0.0
26603,CO-ADD:0217272,7.1,C(O)(c1ccccc1)(C(C)C2)CC(N2C)(C)C,0.0
26604,CO-ADD:0329261,7.1,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2OC)cc(c2OCc(cc3)ccc3F)OC,0.0
26605,CO-ADD:0329342,7.1,C1(Nc(ccc(c2Cl)Cl)c2)=NC(CO1)(C)C,0.0
26606,CO-ADD:0329199,7.1,N#CCc(cc1)ccc1NC(COc(ccc(c23)cccc2)c3)=O,0.0
26607,CO-ADD:0327680,7.1,c12c(n(c(Oc(cc3)ccc3C(CCC)=O)n1)C)C(N(C)C(=O)N2C)=O,0.0
26608,CO-ADD:0327649,7.1,C(c1ccco1)(CC(c2ccco2)=CC3=O)C3C(C)=O,0.0
26609,CO-ADD:0318819,7.1,c1(NC(COc(cc2)ccc2F)=O)sc(c(C)c1C(OC)=O)C,0.0
26610,CO-ADD:0218521,7.1,N(=C\c(cc1)ccc1OC)/NC(CCC(=O)Nc(cc2)ccc2CC)=O,0.0
26611,CO-ADD:0324732,7.1,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5cc6c(cc5Br)OCO6)cccc4,0.0
26612,CO-ADD:0324772,7.1,C(C(c1ccccc1)=O)(C2c3ccc(cc3)OC)=C(O)C(N2CCNCCO)=O,0.0
26613,CO-ADD:0324027,7.1,S(=O)(=O)(c1c(C)cc(cc1C)C)NC2=CC=CNC2=O,0.0
26614,CO-ADD:0324241,7.1,c12c(CCNC1c3ccc(cc3)CC)cc(c(OCC)c2)OCC.Cl,0.0
26615,CO-ADD:0320988,7.1,C(CSCc(cc1)ccc1F)(=O)Nc2ccccc2,0.0
26616,CO-ADD:0324626,7.1,C(OC)(F)(C(F)(F)F)C(=O)Oc(cc1)ccc1Oc2c(Cl)cc(cn2)Cl,0.0
26617,CO-ADD:0164927,7.1,NNCCc1ccccc1.OS(=O)(=O)O,0.0
26618,CO-ADD:0319797,7.1,c1(NC(=O)C2CC2c3ccccc3)sc(c(C)c1C(OC)=O)C,0.0
26619,CO-ADD:0164599,7.1,COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12,0.0
26620,CO-ADD:0319709,7.09,N(c1c(cccc1)NC(CC(c2ccccc2)CC3=O)=C34)(C(c5ccccc5)=O)C4c6ccc(cc6Cl)Cl,0.0
26621,CO-ADD:0164824,7.09,C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C,0.0
26623,CO-ADD:0324276,7.09,N(CC1N2CCc(cccc3)c13)(C2c4ccccc4)S(=O)(=O)c5ccc(c6c5cccn6)OC,0.0
26624,CO-ADD:0320827,7.09,S(N)(=O)(=O)c(c(Cl)cc(c1C(NCCOc2ccccc2)=O)Cl)c1,0.0
26625,CO-ADD:0323774,7.09,C(/C(OCC)=O)(\C(OCC)=O)=C/Nc(c(C)cc(c12)c(c(C)[nH]1)C)c2,0.0
26626,CO-ADD:0320388,7.09,c1(OC)c(OC)cc(cc1OC)CNC(OCC(C)C)=O,0.0
26627,CO-ADD:0323933,7.09,S(=O)(=O)(N1CCCCC1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(=O)Nc(cc5)ccc5OCC(OC)=O)=O)=N4)c2,0.0
26628,CO-ADD:0324334,7.09,S(N)(=O)(=O)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4OC(F)(F)F)c1,0.0
26629,CO-ADD:0217388,7.09,N1(CNc(ccc(c2Cl)C)c2)C(=O)\C(\SC1=O)=C\c(cc3)ccc3Br,0.0
26630,CO-ADD:0217772,7.09,c1(nc(c2n1Cc3ccc(cc3Cl)Cl)cccc2)c4nonc4NC(C)=O,0.0
26631,CO-ADD:0158159,7.09,O=C(CSCC1=CC=C(C=C1)Cl)N/N=C(C)\C2=CC(Br)=CC=C2,0.0
26632,CO-ADD:0217549,7.09,c1(c(O)c(\C=N\c(cccc2c3oc(c4n3)cccc4C)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
26633,CO-ADD:0217774,7.09,n1(N)c(C)nnc1N\N=C\c2ccc(cc2O)O,0.0
26634,CO-ADD:0158188,7.09,N#CC1=C(N)OC(CCl)=C(C(OCC)=O)C1C2=CC=CN=C2,0.0
26635,CO-ADD:0326801,7.09,C1(=O)Nc2c(Oc(cc(cc3Oc4ccccc4Br)[N+](=O)[O-])c13)ccc(Cl)c2,0.0
26636,CO-ADD:0326841,7.09,C(C(N)=O)(=CC(N1OC(C)=O)(C)C)C1(C)C,0.0
26637,CO-ADD:0326745,7.09,C12(CC(CC3C1)CC(C3)C2)C(C(C)=O)C(=O)C(F)(F)F,0.0
26638,CO-ADD:0327768,7.09,N12C(SC(C(F)(F)F)=N1)=NC(=O)\C(=C\c(c(cccc3)c3n4Cc(cc5)ccc5F)c4C)\C2=N,0.0
26639,CO-ADD:0328497,7.09,N(Cc1ccccc1)(C(=O)C(C23)C(c4cccc(OC)c4O)NC2(C)C(O)=O)C3=O,0.0
26640,CO-ADD:0328665,7.09,c(c1c(CCCC1)nc2SCC(c(cccc3)c3CC4(C)C)=N4)(n2)C(F)(F)F,0.0
26641,CO-ADD:0328713,7.09,N1(C(=O)c2ccc(cc2)F)N3C(=NC1=S)C=CC=C3,0.0
26642,CO-ADD:0328737,7.09,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)NCC(OC)=O)Cl)c1,0.0
26643,CO-ADD:0329831,7.09,n1(cccc1)c2ccccc2CN.Cl,0.0
26644,CO-ADD:0217284,7.09,N1(CNc(cc2)ccc2C(OCC)=O)C(=O)\C(\SC1=O)=C/c3ccc(C)o3,0.0
26645,CO-ADD:0326621,7.09,[N+](=O)([O-])c1cccc(CNCCc(c2c([nH]3)cccc2)c3C)c1,0.0
26646,CO-ADD:0326806,7.09,n1(c(CC)nn2)c2SCC(c(ccc(c3Cl)Cl)c3)=N1,0.0
26647,CO-ADD:0217625,7.09,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(O)c2ccc(cc2)Br,0.0
26648,CO-ADD:0328069,7.09,S(=O)(=O)(c1ccc(cc1)F)NC(c2ccc(cc2)C)CC(OCC)=O,0.0
26649,CO-ADD:0217633,7.08,C(=O)(N\N=C\c(cc1)ccc1N(CC)CC)c2ccc(cc2)OCc3cccc(OC)c3,0.0
26650,CO-ADD:0217095,7.08,N1(CCCCCC)C=CC(C=C1)=N.Br,0.0
26651,CO-ADD:0217076,7.08,c1(ccc(cc1Cl)Cl)C(=O)Oc2ccc(c3c2\C=N\c4ccccc4Cl)cccc3,0.0
26652,CO-ADD:0217092,7.08,N1(Cc2ccccc2)C=CC(C=C1)=N.Cl,0.0
26653,CO-ADD:0328132,7.08,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c(ccc(c4C(=O)Nc5ccccc5)Cl)c4,0.0
26654,CO-ADD:0329143,7.08,C1(CCC(NC1c2ccc(cc2)OC)=O)[N+](=O)[O-],0.0
26655,CO-ADD:0329288,7.08,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(c(OCCOc3ccccc3OC)ccc4[N+](=O)[O-])c4)\C2=N,0.0
26656,CO-ADD:0327898,7.08,S(=O)(=O)(c1ccc(cc1)NC(=O)c(c2)cc(cn2)Br)N3CCCCC3C,0.0
26657,CO-ADD:0329370,7.08,c1(C(O)=O)cc(OC)c(cc1NC(=O)c2c(Cl)ccc(c2)[N+](=O)[O-])OC,0.0
26658,CO-ADD:0318923,7.08,n1(c2ccc(cc2)OC)nnnc1SCC(=O)N\N=C\c3c[nH]nc3c4ccc(cc4)F,0.0
26659,CO-ADD:0323861,7.08,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5c(OCC)ccc(OCC)c5,0.0
26660,CO-ADD:0321273,7.08,C1(Nc(ccc(c2Br)C)c2)OC(CO)C(C(O)C1O)O,0.0
26661,CO-ADD:0321306,7.08,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCCOc4cccc(C)c4)c3)\C2=N,0.0
26662,CO-ADD:0321258,7.08,C(=O)(c(cccc1C(=O)NCc2ccccc2F)c1)NCc3ccccc3F,0.0
26663,CO-ADD:0164615,7.08,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(O)cc1,0.0
26664,CO-ADD:0165043,7.08,CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl,0.0
26665,CO-ADD:0164928,7.08,CC(C)N(CC[C@H](c1ccccc1)c2cc(C)ccc2O)C(C)C.OC(C(O)C(=O)O)C(=O)O,0.0
26666,CO-ADD:0164718,7.08,C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(O)=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4,0.0
26667,CO-ADD:0164466,7.08,OC(COc1cccc2oc(cc(=O)c12)C(=O)[O-])COc3cccc4oc(cc(=O)c34)C(=O)[O-].[Na+].[Na+],0.0
26668,CO-ADD:0323059,7.08,c12c(CCNC1c3cccc(F)c3F)cc(c(OCC)c2)OCC.Cl,0.0
26669,CO-ADD:0324219,7.08,C1(C(OC)=O)=C(C)NC(NC1c(ccs2)c2)=O,0.0
26670,CO-ADD:0323028,7.08,N1(c2ccc(cc2C)C)C(=O)CC(N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)C1=O,0.0
26671,CO-ADD:0320397,7.08,C1(=O)N(C)C=Nc(ccc(N)c2)c12,0.0
26672,CO-ADD:0319910,7.08,N1(C(C)(C)CC(CC1(C)C)NC(C)=O)OC(=O)c2ccccn2,0.0
26673,CO-ADD:0318929,7.08,N1(c2ccc(cc2)F)C(=O)\C(\SC1=N)=C\c(cc3)ccc3OCc4ccccc4F,0.0
26674,CO-ADD:0157975,7.08,N#CC1=C(N)OC(N(C2=CC=CC=C2)N=C3C)=C3C1C4=CC=CN=C4,0.0
26675,CO-ADD:0318713,7.08,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)OC)c5ccc(cc5)OC,0.0
26676,CO-ADD:0158175,7.08,N#CC1=C(SCC2=CC=CC=C2F)N=C(C3=CC=CS3)C=C1C4=CC=C(F)C=C4,0.0
26677,CO-ADD:0157991,7.08,N#CC(C(SCC#N)=N1)=C(C2=CC=C(OC)C=C2)C=C1C3=CC=CC=C3,0.0
26678,CO-ADD:0158300,7.08,O=C(N/N=C/C(C=CC=C1)=C1O)CCOC2=CC=CC=C2C,0.0
26679,CO-ADD:0158005,7.08,N#CC1=CC(C#N)=C(SCC(OCC)=O)N=C1N,0.0
26680,CO-ADD:0328998,7.08,c1(NC(Cc2ccccc2)=O)cc(OC)c(cc1Cc3nccc(cc(c(OC)c4)OC)c34)OC,0.0
26681,CO-ADD:0326380,7.08,[nH]1c(cccc2)c2c(CCNCc3cccc(F)c3)c1C,0.0
26682,CO-ADD:0327472,7.08,C(Nc(cccc1C(F)(F)F)c1)(C(=O)c(cccc2)c2C3=O)=C3N4CCCCC4,0.0
26683,CO-ADD:0328530,7.08,c1(SC(CC)C(=O)Nc2cc(on2)C)nc(N)c(c(c3ccccc3)c1C#N)C#N,0.0
26684,CO-ADD:0329019,7.08,C1(NC(C(C(N2Cc3ccccc3)=O)C1C2=O)C)(c4c(N5Cc6ccccc6Cl)cccc4)C5=O,0.0
26685,CO-ADD:0328843,7.08,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(cc4)cc(c4OC(=O)c5ccccc5Cl)OC,0.0
26686,CO-ADD:0328875,7.08,c12c(ccc(C(=O)Nc(cccc3[N+](=O)[O-])c3)c1SCC)C(=O)c(c4C2=O)cccc4,0.0
26687,CO-ADD:0331001,7.08,c1([N+](=O)[O-])nn(c(C)c1Br)CC(=O)N(C)c2ccc(cc2)OC(F)(F)Cl,0.0
26688,CO-ADD:0331210,7.08,N1(CCc2ccccc2)\C(=N/CCc3ccccc3)\SC(C(=O)Nc4cccc(Cl)c4)=CC1=O.Br,0.0
26689,CO-ADD:0331507,7.08,C1(C(F)(F)F)(NC(=O)c2cccc(Cl)c2)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)OC)=O,0.0
26690,CO-ADD:0331300,7.08,S(c1c2cccc1)C(c(cc3OC)cc(c3OC)OC)CC(N2)=O,0.0
26691,CO-ADD:0330892,7.07,C(=N\c(cc1)ccc1C(OCC)=O)(/SC(C(=O)Nc2cccc(OCC)c2)CC3=O)\N3CCc(cc4)ccc4F,0.0
26692,CO-ADD:0331321,7.07,C1(C(F)(F)F)(NC(=O)c2ccco2)C(=O)N(C(=O)N1)C,0.0
26693,CO-ADD:0330817,7.07,c1(C(OCC)=O)sc2c(c(C)cc(C)n2)c1n3cccc3,0.0
26694,CO-ADD:0332042,7.07,N1(c(cc2)ccc2C(OCC)=O)CC(=CC1c3cccc(F)c3)Nc(cc4)ccc4C(OCC)=O,0.0
26695,CO-ADD:0332251,7.07,c(c1c2ccc(cc2)OC)(C3=O)c(cn1NC(C)=O)N(C(=O)N3C)C,0.0
26696,CO-ADD:0332211,7.07,C1(C(=O)OC2CCCC2)=C(C)NC(NC1c3ccccc3Br)=O,0.0
26697,CO-ADD:0331595,7.07,C12(C)N(CCc(c([nH]3)C)c(c3ccc4)c14)C(OC2(CC5(C)C)CC(N5)(C)C)=O,0.0
26698,CO-ADD:0331671,7.07,C1(NCCNC1=O)(C(F)(F)F)c2cccn2C,0.0
26699,CO-ADD:0331000,7.07,c1(Nc(cc2)ccc2c3oc(c4n3)cccc4)nc(OC)nc(OC)n1,0.0
26700,CO-ADD:0331730,7.07,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(C)o4,0.0
26701,CO-ADD:0331041,7.07,N1(c2ccccc2[N+](=O)[O-])C3C(N=N1)C(C(C4C5=O)C(N5C(C)C)=O)CC34,0.0
26702,CO-ADD:0332292,7.07,N(NC(=O)c1ccc(cc1)Br)(C(CC(=O)Nc2cccc(Cl)c2)C(N3C)=O)C3=S,0.0
26703,CO-ADD:0331303,7.07,c1(C(NCCO)=O)scc(OCCO2)c12,0.0
26704,CO-ADD:0330927,7.07,c1(sc2c(c(COC)cc(C)n2)c1NC(=O)c3ccco3)C(=O)N(c4ccccc4)c5ccccc5,0.0
26705,CO-ADD:0332539,7.07,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)N(CC3)CCN3C(=O)c4cccc(Br)c4,0.0
26706,CO-ADD:0331873,7.07,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCN2C(OCC)=O,0.0
26707,CO-ADD:0332093,7.07,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCN2c3ccc(c(Cl)c3)Cl,0.0
26708,CO-ADD:0332094,7.07,[N+](=O)([O-])c(cc1)c(C)cc1C(=O)N(CC2)CCN2c3ccc(c(Cl)c3)Cl,0.0
26709,CO-ADD:0331235,7.07,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(NCCOC(CC(CC2C3)CC34)(C4)C2)=O)Cl)c1,0.0
26710,CO-ADD:0327195,7.07,[nH](c(ccc(c1)OC)c1c2CCNCc3cccc(OC)c3OC)c2C,0.0
26711,CO-ADD:0326480,7.07,C1(=O)N(Cc(cc2)ccc2[N+](=O)[O-])N=CN1N,0.0
26712,CO-ADD:0332569,7.07,S(=O)(=O)(c1ccc(cc1)Br)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCN4c5ccc(cc5[N+](=O)[O-])C(F)(F)F,0.0
26713,CO-ADD:0332178,7.07,c(nnc1c2ccccc2Cl)(o1)c(c(C)nc(c3C(OCC)=O)C)c3,0.0
26714,CO-ADD:0331794,7.07,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(C)o4,0.0
26715,CO-ADD:0330983,7.07,[N+](=O)([O-])c1c(NCCN2CC(OC2=O)C)ccc(c1)C(F)(F)F,0.0
26716,CO-ADD:0331392,7.07,c1(C(F)(F)F)nc(c2n1Cc(ccc(c34)cccc3)c4)cccc2,0.0
26717,CO-ADD:0332600,7.07,n1(CC(O)=O)nnnc1SCC(=O)Nc2ccccc2F,0.0
26718,CO-ADD:0331098,7.06,n1(Cc(cc2)ccc2F)c3c(nc1c4ccc(cc4)F)cccc3,0.0
26719,CO-ADD:0331247,7.06,c12c(c3c(cccc3)C1=O)nc4n(ncn4)c2c5ccc(cc5)OC,0.0
26720,CO-ADD:0331200,7.06,c(NC(=O)Cn1nnc(c2ccc(cc2)OCc3ccccc3F)n1)(c(C(N)=O)nn4c5ccccc5)n4,0.0
26721,CO-ADD:0331616,7.06,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4c(C)cc(c(C)c4)OC,0.0
26722,CO-ADD:0331240,7.06,S(=O)(=O)(c1ccc(cc1)OC)N(CC2)CCC2(C(N)=O)N3CCCCC3,0.0
26723,CO-ADD:0327356,7.06,n12c(S\C(=C/c3cccc(OC)c3OC)\C1=O)nnc2c4ccccc4C,0.0
26724,CO-ADD:0327524,7.06,c1(\C(\CCC2)=N\OCc(cc3)ccc3Cl)c2non1,0.0
26725,CO-ADD:0330917,7.06,c1(C(=O)N2CCCCC2)sc3c(c(COC)cc(C)n3)c1N,0.0
26726,CO-ADD:0330981,7.06,c1(c(Cl)c2c(cccc2)s1)C3=N\C(\C(=O)O3)=C\c4cc(OC)ccc4OC,0.0
26727,CO-ADD:0330893,7.06,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(OCC)=O)n2,0.0
26728,CO-ADD:0331114,7.06,C1(c2ccccc2Cl)Oc(cccc3)c3C(=O)N1,0.0
26729,CO-ADD:0331914,7.06,C1(=Cc(cccc2OC)c2OC1=O)C(=O)N3CCC(CC3)C,0.0
26730,CO-ADD:0332043,7.06,N1(c(cc2)ccc2C(OCC)=O)CC(=CC1c3ccccc3Cl)Nc(cc4)ccc4C(OCC)=O,0.0
26731,CO-ADD:0331734,7.06,C1(C(OCC)=O)=C(c2ccccc2)N(C(=O)NC1c3ccccc3OCC)C,0.0
26732,CO-ADD:0328542,7.06,c1(c(cc(I)cc2[N+](=O)[O-])c2)nnc(c(cc3)ccc3C(OCC)=O)o1,0.0
26733,CO-ADD:0328495,7.06,C1(C2=O)C(C(NC1(CC(C)C)C(O)=O)c3cc(Cl)cc(Cl)c3O)C(N2c4ccc(cc4)I)=O,0.0
26734,CO-ADD:0332327,7.06,C12=C(CC(c3ccccc3)CC1=O)c4c(ccc5c4cccn5)NC2c(ccc(c67)OCO6)c7,0.0
26735,CO-ADD:0332113,7.06,C(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3ccc(cc3)C,0.0
26736,CO-ADD:0332145,7.06,C(C(OC)=O)(=CN(CC(C1)(C2)CC(C3)CC1CC23)C=C4C(OC)=O)C4c5cccc(Cl)c5,0.0
26737,CO-ADD:0331705,7.06,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)Cl)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
26738,CO-ADD:0329278,7.06,c1(nc(C)cc(C)n1)NC(=N)Nc2cccc(c2)NC(C)=O,0.0
26739,CO-ADD:0332551,7.06,S(=O)(=O)(Cc1ccccc1)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCO4,0.0
26740,CO-ADD:0331807,7.06,c(c(Cl)cc(c1C(c2ccccc2)=O)Cl)(c1)[N+](=O)[O-],0.0
26741,CO-ADD:0331910,7.06,S(=O)(=O)(c1ccc(c(C)c1)OC)N(CC2)CCN2c3ccc(c(Cl)c3)Cl,0.0
26742,CO-ADD:0332607,7.06,c(cc(cccc1)c1n2)(\C=N\c(cc3)ccc3C)c2O,0.0
26743,CO-ADD:0331113,7.06,S(=O)(=O)(c1ccc(cc1)C)N(Cc(cc2)ccc2F)CC(=O)Nc3ccc(cc3F)F,0.0
26744,CO-ADD:0325937,7.06,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2CC(=O)Nc(cc3)ccc3Br,0.0
26745,CO-ADD:0328824,7.06,n1(nnc(C(O)=O)c1CN2CCCC2)c3nonc3N,0.0
26746,CO-ADD:0328388,7.06,n1(c2c(s3)cccc2)c3nnc1SCC(=O)N4c5c(cccc5)CCc(cccc6)c46,0.0
26747,CO-ADD:0330748,7.06,C(O)(C(OC)=O)(C(F)(F)F)c1ccc(c(cccc2)c12)O,0.0
26748,CO-ADD:0331077,7.06,c1(c2ccccc2OC)nc(c3n1Cc4ccccc4OC)cccc3,0.0
26749,CO-ADD:0328897,7.06,c1(c(O)c(C)c(c(NS(=O)(=O)c2ccc(cc2)OC)c1)C)S(=O)(=O)c3ccc(cc3)Cl,0.0
26750,CO-ADD:0327158,7.06,N1(C(C)(C)CC(CC1(C)C)NS(C)(=O)=O)OC(=O)c2ccco2,0.0
26751,CO-ADD:0326412,7.06,C(=O)(Nc1ccccc1Cl)C2(CCCC2)c3ccc(c(OC)c3)OC,0.0
26752,CO-ADD:0331773,7.06,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(=O)OC(C)C,0.0
26753,CO-ADD:0332160,7.06,C12(OC(C(C(N3c4cccc(cccc5)c45)=O)C1C3=O)c(cc6)ccc6C(C)C)C(=O)c(c7C2=O)cccc7,0.0
26754,CO-ADD:0331829,7.06,n1(c2ccc(c3c2)OCO3)nnnc1SCC(=O)Nc4c(C)cc(cc4C)C,0.0
26755,CO-ADD:0331859,7.06,[N+](=O)([O-])c(cc1)ccc1\C(\C#N)=C\c(cc2c(n3)ccc(OC)c2)c3O,0.0
26756,CO-ADD:0332372,7.06,[N+](=O)([O-])c1cccc(c1)NC(CSc2nc(CCC)cc(O)n2)=O,0.0
26757,CO-ADD:0332453,7.06,c12c(n(c(Cl)n1)CCCC)C(N(C)C(=O)N2C)=O,0.0
26758,CO-ADD:0332509,7.06,S(=O)(=O)(c1ccc(c2c1)cccc2)Nc(cc3)cc(c34)CCN4C(C)=O,0.0
26759,CO-ADD:0328646,7.06,c1(C(O)=O)cc(OC)c(cc1NC(COc2ccccc2)=O)OC,0.0
26760,CO-ADD:0325965,7.05,C(NCCOC(C1)(CC(CC12)CC3C2)C3)(NC(CCc4ccccc4)=O)(C(F)(F)F)C(F)(F)F,0.0
26761,CO-ADD:0331100,7.05,n1(Cc(cc2)ccc2F)c3c(nc1C(C)O)cccc3,0.0
26762,CO-ADD:0331893,7.05,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N(CC2)CCN2c3cccc(C)c3C,0.0
26763,CO-ADD:0330728,7.05,c(SCC(=O)N(C)c1ccc(cc1)OC(Cl)(F)F)(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3,0.0
26764,CO-ADD:0331590,7.05,c1(NC(c2ccc(c(OC)c2)OC)CC3C(F)(F)F)n3ncc1C(=O)NCC4C(CC(CC45)CC6C5)C6,0.0
26765,CO-ADD:0329196,7.05,C(c(cc1)ccn1)(=O)Nc(cc2)ccc2CC#N,0.0
26766,CO-ADD:0331797,7.05,c1(nonc1N)\C(\N)=N\N=C(\C)/c2ccc(cc2O)O,0.0
26767,CO-ADD:0332597,7.05,C(C(NC)=O)(SC(N1C)=S)=C1N,0.0
26768,CO-ADD:0332302,7.05,C1(=S)N(NC(=O)c(cccn2)c2)C(C(=O)N1c(cc3)ccc3C(OCC)=O)CC(=O)Nc(cc4)ccc4F,0.0
26769,CO-ADD:0332230,7.05,C1(C(OC)=O)=C(C)NC(NC1c2cc(OC)c(cc2Br)OC)=O,0.0
26770,CO-ADD:0331484,7.05,C1(C(F)(F)F)(NC(=O)c2ccccc2Cl)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
26771,CO-ADD:0331532,7.05,n12c(ccc(NCn3c4c(nn3)cccc4)n1)nnn2,0.0
26772,CO-ADD:0331172,7.05,c1(\C=C\c(cc2)ccc2Cl)n(CCCOc3ccccc3)c4c(cccc4)n1,0.0
26773,CO-ADD:0331435,7.05,C1(C(=O)C=C(N2c3ccc(cc3)OC)C)=C2CC(C)(C)CC1=O,0.0
26774,CO-ADD:0326344,7.05,N1(CC(C)OC(c2ccc(c(OC)c2)OC)O1)C(=O)c(ccc(c34)OCO3)c4,0.0
26775,CO-ADD:0326398,7.05,c1(SC(F)(F)C(F)(F)F)c(Cl)c(Cl)nc(N\N=C\c2ccccc2OCC=C)c1Cl,0.0
26776,CO-ADD:0329499,7.05,S(c1ccccc1)(=O)(=O)N(CC2)CCN2C(=O)c3ccc(c(OC)c3)OC,0.0
26777,CO-ADD:0332582,7.05,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)c(cc4)ccc4C(C)(C)C,0.0
26778,CO-ADD:0331822,7.05,c1(nncn1\N=C\c2ccccc2F)n3c(C)cc(C)n3,0.0
26779,CO-ADD:0332028,7.05,C(=O)(c1ccc(cc1)F)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
26780,CO-ADD:0331884,7.05,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3c(Cl)ccc(Cl)c3,0.0
26781,CO-ADD:0331989,7.05,C(=O)(N(CC1)CCN1CC)c2ccccc2NC(=O)c3ccc(cc3)Br,0.0
26782,CO-ADD:0332161,7.05,c1(c2ccc(c1c3)nc(c3C(OCC)=O)C)c(C)c(n2C)C,0.0
26783,CO-ADD:0330997,7.05,c(c1CCCC2)(n23)n(cc1c4ccccc4)nc3COc5ccccc5,0.0
26784,CO-ADD:0330931,7.05,c1(sc2c3c(COC)cc(C)n2)c3N=NN(c(cccc4C(F)(F)F)c4)C1=O,0.0
26785,CO-ADD:0331428,7.05,N12C(=NCC1)SC(CC(=O)Nc(cc3)ccc3Br)C2=O,0.0
26786,CO-ADD:0331364,7.05,n1(cnc(c2c3)n(n3)C)c2nnc1c4ccc(cc4)OC,0.0
26787,CO-ADD:0328592,7.05,n1c(CC(=O)NC2(CCCCC2)C(=O)Nc3ccccc3C)[nH]nc1N,0.0
26789,CO-ADD:0329788,7.05,c12c(cc(OC)c(OC)c1)NC(=O)CC2c3ccccc3F,0.0
26790,CO-ADD:0329512,7.05,C(C(F)(F)F)(C(F)(F)F)(Nc1sc2c(ccc(c2)OC(F)(F)F)n1)NC(=O)c3cccc(OC)c3,0.0
26791,CO-ADD:0328662,7.05,S(=O)(=O)(c(cc1)ccc1C(=O)NCc(ccc2C(OCC)=O)o2)N(CC3)CCO3,0.0
26792,CO-ADD:0332326,7.05,C12=C(CCCC1=O)c3c(ccc4c3cccn4)NC2c(cc5OC)cc(c5O)OC,0.0
26793,CO-ADD:0331838,7.05,N1(CN(CC2)CCO2)c(cccc3)c3\C(=N\NC(NCc4ccccc4)=S)\C1=O,0.0
26794,CO-ADD:0331413,7.05,c(cc1Cl)ccc1N2N=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
26795,CO-ADD:0331510,7.04,N1C(SCCOc(cc2)ccc2OC)=NC(=C(CC)C1=O)C,0.0
26796,CO-ADD:0332123,7.04,n(c(SCC)nn1)(C(c2c(cccc2)CC34CCCCC3)=C4C(N5C)=O)c15,0.0
26797,CO-ADD:0328609,7.04,n1(nnc(C(O)=O)c1CN(CC2)CCN2C)c3nonc3N,0.0
26798,CO-ADD:0327593,7.04,c1(C(=O)Nc2cccc(C)c2)sc3c(c(COC)cc(C)n3)c1N,0.0
26799,CO-ADD:0328108,7.04,C1(=Cc2c(OC1=O)cccc2)C(=O)NC(c3ccccc3Cl)CC(OCC)=O,0.0
26800,CO-ADD:0327257,7.04,n1c(N)n[nH]c1CC(=O)N(c2ccccc2)C3(CCCCC3)C(=O)Nc4ccccc4C,0.0
26801,CO-ADD:0332347,7.04,C(/C(C)=O)(\C(C)=O)=N/Nc1ccccc1C(O)=O,0.0
26802,CO-ADD:0332468,7.04,C1(C(=O)c(cccc2[N+](=O)[O-])c2)C(C)=NN(CCCCCCC)C1=O,0.0
26803,CO-ADD:0331895,7.04,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3cc(C)ccc3OC,0.0
26804,CO-ADD:0331912,7.04,S(=O)(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)Cl)c3c(C)ccc(c3)[N+](=O)[O-],0.0
26805,CO-ADD:0332392,7.04,C1(C(F)(F)F)(C(F)(F)F)NC(=O)N(C2=N1)c(c(c3)S2)ccc3S(C)(=O)=O,0.0
26806,CO-ADD:0331944,7.04,S(=O)(=O)(c(cc1)ccc1C2CCCCC2)N(CC3)CCN3c4cccc(Cl)c4,0.0
26807,CO-ADD:0331716,7.04,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(C)c2)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
26808,CO-ADD:0332433,7.04,N1(Cc(cccc2)c2CC1C(=O)N(CC3)CCO3)S(=O)(=O)c4ccc(cc4)OC,0.0
26809,CO-ADD:0331462,7.04,c1(SC(C)C(=O)N(C)c2ccc(cc2)OC(F)(F)Cl)nc(c3ccccc3)cc(n1)C(F)(F)F,0.0
26810,CO-ADD:0331988,7.04,C(=O)(N1CCCC(C)C1)c2ccccc2NC(=O)c3ccc(cc3)Br,0.0
26811,CO-ADD:0332285,7.04,C(C(OC)=O)(=C1C)\C(=C\c2cccc(OC)c2OC)\C(N1CC3CCCO3)=O,0.0
26812,CO-ADD:0332058,7.04,C1(C(=O)NC(c2ccc(cc2)OC)CC(OCC)=O)=Cc(cc(Cl)cc3Cl)c3OC1=O,0.0
26813,CO-ADD:0331046,7.04,C1(=Cc2c(OC1=O)cccc2)C3=NC(Cc(cccc4)c34)(C)C,0.0
26814,CO-ADD:0331099,7.04,n1(Cc(cc2)ccc2C)c3c(nc1COc(cc4)ccc4C)cccc3,0.0
26815,CO-ADD:0331253,7.04,c12c(ccc(C(NCCc(ccc(c3OC)OC)c3)=O)c1[N+](=O)[O-])C(=O)c(c4C2=O)cccc4,0.0
26816,CO-ADD:0331296,7.04,C(C(OC)=O)(C(F)(F)F)(NC(=O)C(F)(F)F)c1cccn1C,0.0
26817,CO-ADD:0331464,7.04,c(nc(c1ccc(cc1)Br)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)c4ccc(cc4)OC(F)(F)Cl,0.0
26818,CO-ADD:0331529,7.04,C(Br)(c1ccc(nn1)Cl)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C,0.0
26819,CO-ADD:0330805,7.04,c1(nnn(C)n1)c(nc(N(CC2)CCO2)nc3N(CC4)CCO4)n3,0.0
26820,CO-ADD:0331174,7.04,n1(Cc2cccc(C)c2)c3c(nc1COc4cccc(cccc5)c45)cccc3,0.0
26821,CO-ADD:0331127,7.04,n1(c2ccccc2F)c(CCC(O)=O)ccc1c3cccs3,0.0
26822,CO-ADD:0331721,7.04,N(NC(=O)c1ccc(cc1)Cl)(C(CC(NCCc2ccccc2)=O)C(N3C)=O)C3=S,0.0
26823,CO-ADD:0158220,7.04,O=C1C2=C(N=CN1)N3CCSC3=N2,0.0
26824,CO-ADD:0158325,7.04,O=C(C1=CC=CC=C1)NC(C)(C)C(OC)=O,0.0
26825,CO-ADD:0158341,7.04,ClC1=CC=C(C=C1)C2=NN(C3=CC=C(Cl)C=C3)C(C4=CC=C(OC)C=C4)C2,0.0
26826,CO-ADD:0158381,7.04,O=C1N(/N=C/C(C=CC=C2)=C2F)C(C)=NC3=C1C=CC=C3,0.0
26827,CO-ADD:0158408,7.04,O=C(C(C=C1)=CC=C1NC(C2=CC=CC=C2C)=O)N(CC)C3=CC=CC=C3,0.0
26828,CO-ADD:0158320,7.04,O=C(C1=CC=CC=C1)C2=C(CN3CCCCC3)OC4=C2C=C(O)C=C4.Cl,0.0
26829,CO-ADD:0157633,7.04,[O-][N+](C1=NN(C(C2=CC=CC([N+]([O-])=O)=C2)NC1C3=CC([N+]([O-])=O)=CC=C3)C(C=C4)=CC=C4C)=O,0.0
26830,CO-ADD:0157813,7.04,[O-][N+](C1=C(O)C(/C=N/C2=CC(Cl)=C(Cl)C=C2)=CC(C)=C1)=O,0.0
26831,CO-ADD:0157294,7.04,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(NC2=CC(C(OCC(C(C=C3)=CC=C3Br)=O)=O)=CC=C2)=O)=C1)=O,0.0
26832,CO-ADD:0157223,7.04,[O-][N+](C1=NNN=C1C2=CC=CC=C2)=O,0.0
26833,CO-ADD:0157039,7.04,N#CC1=C(SCC(NC(C(C)=C2)=CC=C2C)=O)N=C(C3=CC=CS3)C=C1C4=CC=CC=C4,0.0
26834,CO-ADD:0157047,7.04,N#CC(C(C(F)(F)F)=C1)=C(SCC(NC2=CC=CC(C(F)(F)F)=C2)=O)N=C1C3=CC=CS3,0.0
26835,CO-ADD:0157314,7.04,O=C(C(C=C1)=CC=C1Cl)NC2=CC=CC(C(N/N=C/C3=C(OC)C=C(OC)C=C3)=O)=C2,0.0
26836,CO-ADD:0157130,7.04,[O-][N+](C(C=C1)=CC=C1CC(N/N=C(C)/C=C(O)/C(C=C2)=CC=C2OC)=O)=O,0.0
26837,CO-ADD:0157194,7.04,CC1(C)C(SS/2)=C(C(C=C(C)C=C3)=C3N1)C2=N\C4=CC=C(O)C=C4,0.0
26838,CO-ADD:0160405,7.04,O=C(N/N=C(C)/CC(NCC(C)C)=O)COC1=C(Br)C=C(Br)C(C)=C1,0.0
26839,CO-ADD:0160544,7.03,O=C(C1=C2C=CC=C1)C3=CC(NC(C4=CC(C(NC5=CC=C(C(C(C6=C7C=CC=C6)=O)=C5)C7=O)=O)=CC=C4)=O)=CC=C3C2=O,0.0
26840,CO-ADD:0160576,7.03,O=C(NC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(C=C4)=CC=C4NC(C(F)(F)F)=O)C(F)(F)F,0.0
26841,CO-ADD:0160480,7.03,O=C(NC1=CC(C)=CC=C1)/C=C/C2=CC=CC=C2,0.0
26842,CO-ADD:0160313,7.03,[O-][N+](C1=C(C=CC=C1)C2=CC=C(/C([H])=C3C4=C(C(N([H])C(C)=C4)=O)C(O\3)=O)O2)=O,0.0
26843,CO-ADD:0160513,7.03,O=C1NC(C(C)=CC=C2)=C2/C1=N/NC(C3=CC=CN=C3)=O,0.0
26844,CO-ADD:0158652,7.03,O=C(OCC)C1=C(C)N(C2=C1C=C(OC)C(Br)=C2)C3=CC=CC=C3,0.0
26845,CO-ADD:0158676,7.03,O=C1/C(N=C(C(C=C2)=CC=C2C(C)(C)C)O1)=C/C3=CC(OC)=C(OC)C=C3,0.0
26846,CO-ADD:0155400,7.03,O=C(C1=CC=CC(N)=C1)NC2=CC=C(C3=CC=CC=C3)C=C2,0.0
26847,CO-ADD:0155440,7.03,N#CC(C(C1=CC=CC=C1)C2CC3)(C(OCCC)=O)C(N)=C(C2=CC3=O)C#N,0.0
26848,CO-ADD:0155443,7.03,[O-][N+](C1=CC(C(C(O/2)=O)=NC2=C\C(C)=C\C3=CC=C(C=C3)/C=C(C)/C=C4N=C(C(O/4)=O)C5=CC([N+]([O-])=O)=CC=C5)=CC=C1)=O,0.0
26849,CO-ADD:0158749,7.03,[O-][N+](C1=C(/C=N/NC(COC2=CC(C)=C(C)C=C2)=O)C=CC(O)=C1OC)=O,0.0
26850,CO-ADD:0158747,7.03,O=C(C1=CC=CC(OC)=C1)OC(C(OC)=C2)=CC=C2/C=N/NC(CNC3=CC(C)=CC=C3)=O,0.0
26851,CO-ADD:0156266,7.03,O=C(C1=CC(C(C2=CC=C3C(N(C4=CC=NC=C4)C(C3=C2)=O)=O)=O)=CC=C51)N(C6=CC=NC=C6)C5=O,0.0
26852,CO-ADD:0156282,7.03,O=S(OC1=CC=C(C)C=C1N2N=C3C=CC=CC3=N2)(C(C=C4)=CC=C4C)=O,0.0
26853,CO-ADD:0155826,7.03,O=C(N1C2=CC=CC=C2)C(C(C(C=C3)=CC=C3OC(/C=C\C4=CC=CO4)=O)C(C(N5C6=CC=CC=C6)=O)=C(C)N5C)=C(C)N1C,0.0
26854,CO-ADD:0155834,7.03,ClC1=CC(Br)=CC(/C=N/C2=CC(O)=C(C=C2)C3=NC(C=CC=C4)=C4O3)=C1O,0.0
26855,CO-ADD:0154405,7.03,O=C(C1=CC=CC=C1)N/C(C(OC)=O)=C(C)C2=CC=CC=C2,0.0
26856,CO-ADD:0154483,7.03,O=C(C1=CC=CC=C1)NC2(CC2C3=CC=CC(O)=C3)C(NN)=O,0.0
26857,CO-ADD:0154441,7.03,NNC(CCC1=CNC2=C1C=CC=C2)=O,0.0
26858,CO-ADD:0162535,7.03,C(=C\c(cc1)ccc1N(CC2)CCO2)(/C(=O)NC(N3)=O)\C3=O,0.0
26859,CO-ADD:0154388,7.03,O=C(NNC(C)CCCCCC)C1=CC2=CC=CC=C2N1,0.0
26860,CO-ADD:0154392,7.03,O=C(N(N([H])CCC1=CC=CC=C1)[H])C2=CC3=CC=CC=C3N2,0.0
26861,CO-ADD:0160394,7.03,O=C(COC(C(C)=C1)=CC=C1Br)N/N=C(C)/CC(NC2=CC=C(OCC)C=C2)=O,0.0
26862,CO-ADD:0158504,7.03,IC1=CC(Br)=CC(/C=N/C2=CC3=C(C=C2)OC(C(C=CC=C4)=C4Cl)=N3)=C1O,0.0
26863,CO-ADD:0158697,7.03,[O-][N+](C(C=C1)=CC=C1C(OC(C=C2)=C(OCC)C=C2/C=N/NC(COC(C(Br)=C3)=CC=C3OC)=O)=O)=O,0.0
26864,CO-ADD:0158361,7.03,O=C(C1)N(C(COC(C=C2)=CC=C2Cl)=O)CC1C3=CC=CC=C3,0.0
26865,CO-ADD:0158700,7.03,[O-][N+](C1=CC(/C=N/C2=CC(C)=CC=C2C)=CC=C1OC(C3=C(Cl)C=C(Cl)C=C3)=O)=O,0.0
26866,CO-ADD:0158332,7.03,O=C(N/N=C/C1=C(OCC)C=CC(Br)=C1)C2=CC(I)=CC=C2,0.0
26867,CO-ADD:0157563,7.03,ClC1=NC(NC(C=C2)=CC=C2Cl)=NC(NC(C)(C)C)=N1,0.0
26868,CO-ADD:0157483,7.03,[O-][N+](C1=C(C)C=C(C)C(NC(C(C2=CC=CC=C2)C3=CC=CC=C3)=O)=C1C)=O,0.0
26869,CO-ADD:0157058,7.03,N#CC1=C(SCC(NC2=CC(C(F)(F)F)=CC=C2)=O)N=C(C(C=C3)=CC=C3Br)C=C1C4=CC=CC=C4,0.0
26870,CO-ADD:0157187,7.03,[O-][N+](C(N1C2=NC=N1)=NN2CC(C)=O)=O,0.0
26871,CO-ADD:0157035,7.03,N#CC1=C(SCC(NC2=CC=CC(NC(C)=O)=C2)=O)N=C(C3=CC=CS3)C=C1C4=CC=CS4.O,0.0
26872,CO-ADD:0157243,7.03,ClC(C=C1)=C(C=C1/N=C/C2=C(C=CC=C3)C3=CC=C2O)C4=NC5=CC=CC=C5O4,0.0
26873,CO-ADD:0157244,7.03,O=C1/C(N=C(C2=CC=C(C)C=C2)O1)=C/C3=CC=C(C)C=C3,0.0
26874,CO-ADD:0157052,7.03,N#CC1=C(SCC(NC2=NN=C(CC)S2)=O)N=C(N)N=C1SC,0.0
26875,CO-ADD:0160407,7.03,O=C(C1=C2C=C3C(N(C(C3=C1C(C4=CC=CC=C4)=O)=O)C5=CC=CC=C5C6=CC=CC=C6)=O)N(C(C=CC=C7)=C7C8=CC=CC=C8)C2=O,0.0
26876,CO-ADD:0160467,7.03,[O-][N+](C(C=C1)=CC=C1CSC2=NC(C=CC=C3)=C3N2)=O,0.0
26877,CO-ADD:0159987,7.03,O=C(C(C=C1)=CC=C1NC(C2=CC(/N=C/CC(C)C(C)C=C(C)C)=CC=C2)=O)N3CCOCC3,0.0
26878,CO-ADD:0161274,7.03,C(C(OCC)=O)(C(c1ccccc1)C(S2)C(c3ccccc3)=O)=C2N,0.0
26879,CO-ADD:0160131,7.03,[O-][N+](C(C=C1)=CC=C1C2=CSC(NN=C(C)C)=N2)=O,0.0
26880,CO-ADD:0160171,7.03,O=C(COC1=CC=C(C)C=C1)NC(C(C)=C2)=CC=C2C,0.0
26881,CO-ADD:0154969,7.03,N#CC(C(C(F)(F)F)=C1)=C(SCC(NC2=CC=CC=C2)=O)N=C1C3=CC=CS3,0.0
26882,CO-ADD:0156102,7.03,[O-][N+](C(C=CC=C1)=C1OCC(N/N=C(C2=C3C=CC(C)=C2)\C(N3)=O)=O)=O,0.0
26883,CO-ADD:0154973,7.03,N#CC([C@H](C(C(Cl)=C1)=CC=C1Cl)[C@H]2C(C3(C[C@H]4C5)C[C@H]5C[C@H](C4)C3)=O)(C#N)[C@]6([H])N2C7=CC=CC=C7C=C6,0.0
26884,CO-ADD:0154962,7.03,O=C(NC1=CC=CC=C1)NC2=NC(C)=C(CC(Cl)(Cl)Cl)S2,0.0
26885,CO-ADD:0158507,7.03,IC1=CC(Br)=CC(/C=N/C2=CC=C(OCC)C=C2)=C1O,0.0
26886,CO-ADD:0155888,7.02,O=C1N([C@H]([C@@H]2O[C@H]/3OC2)CC3=N\NC(N)=S)C(C4=C1C=CC=C4)=O,0.0
26887,CO-ADD:0156520,7.02,O=C(NC(C=C1)=CC=C1SSC2=CC=C(C=C2)NC(C3=CC=CC4=C3C=CC=C4)=O)C5=CC=CC6=C5C=CC=C6.O=C7N(C)CCC7,0.0
26888,CO-ADD:0155144,7.02,O=C(N/N=C/C1=CC=CC(Br)=C1)C2=CC(C)=NN2,0.0
26889,CO-ADD:0155083,7.02,O=C1C2=C(NC=C1)C3=NON=C3N=C2C,0.0
26890,CO-ADD:0155275,7.02,O/C(C1=CC=C(OC)C=C1)=C\C=N\CC2=CC=CO2,0.0
26891,CO-ADD:0154384,7.02,O=C(C=C1NC2=CC=CC=C2)N(C3=CC=CC=C3)C1=O,0.0
26892,CO-ADD:0154464,7.02,CN1C2=CC=CC=C2C(C([H])=O)=C1,0.0
26893,CO-ADD:0154497,7.02,O=C1OC(C)=NC1=CC2=CC=C(OC(C)=O)C=C2,0.0
26894,CO-ADD:0161769,7.02,C(F)(F)(C(F)(F)C(F)F)C(F)(F)C(=O)NCC(O)=O,0.0
26895,CO-ADD:0154425,7.02,[H]N(C(N)=O)/N=C/C1=CNC2=C1C=CC=C2,0.0
26896,CO-ADD:0157356,7.02,O=C(CSC1=CC=CC=C1)N/N=C/C2=CC(Br)=C(O)C(OC)=C2,0.0
26897,CO-ADD:0160391,7.02,O=C(/C(CN(CCC)C/1)=C/C2=C(C=CC=C3)C3=CC4=C2C=CC=C4)C1=C\C5=C(C=CC=C6)C6=CC7=C5C=CC=C7,0.0
26898,CO-ADD:0158313,7.02,O=C(COC(C=C1)=CC=C1F)N/N=C/C(C=CC=C2)=C2OCC,0.0
26899,CO-ADD:0158314,7.02,O=C(C1=CC=C(Br)S1)C2=C(NC(C)=O)C(C=CC=C3)=C3O2,0.0
26900,CO-ADD:0157377,7.02,[O-][N+](C1=CC=C(/C=N/NC(C(OC)C2=CC=CC=C2)=O)S1)=O,0.0
26901,CO-ADD:0157568,7.02,N#CC1=C(NC(C(C(O2)=O)=CC3=C2C=CC=C3)=O)SC(C)=C1C,0.0
26902,CO-ADD:0157252,7.02,O=C(C1=C2C=CC(Br)=C1)N(C(C=C3)=CC=C3OC4=CC=C(Cl)C=C4)C2=O,0.0
26903,CO-ADD:0157157,7.02,O=C(C/C(C)=N/NC(C(C=C1)=CC=C1Br)=O)NC2=C(C)C=C(C)C=C2C,0.0
26904,CO-ADD:0161451,7.02,c1(NC(=O)C(F)(F)F)sc(c2c1C(N)=O)CCCC2,0.0
26905,CO-ADD:0161491,7.02,C(C#N)(=C(N)OC(=C1C(C)=O)C)C1c2ccco2,0.0
26906,CO-ADD:0161115,7.02,C(=O)(NCC(=O)N\N=C(/C)\c(cc1)ccc1C(C)(C)C)c2ccco2,0.0
26907,CO-ADD:0161624,7.02,c(Nc1ccccc1)(nc(N\N=C\c(cc2)ccc2Br)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
26908,CO-ADD:0161468,7.02,C1(c2ccc(cc2)OC)N(c3ccccc3)CCN1c4ccccc4,0.0
26909,CO-ADD:0161492,7.02,C(/S(CCCCCCCC)(=O)=O)(\S(CCCCCCCC)(=O)=O)=C(\Nc1c2cccc1)/N2,0.0
26910,CO-ADD:0154812,7.02,O=C(C1=C2C=CC(Br)=C1)N(C(C=C3)=CC=C3C(OCCCCC)=O)C2=O,0.0
26911,CO-ADD:0155163,7.02,[O-][N+](C1=CC=C(C(/C=N/NC(COC(C=C2)=CC=C2C)=O)=C1)N3CCN(C)CC3)=O,0.0
26912,CO-ADD:0155103,7.02,N#CC1(C#N)[C@@]2([H])N([C@@H](C(C(C=C3)=CC=C3C)=O)[C@@H]1C4=CC=CC=C4)C=CC5=C2C=CC=C5,0.0
26913,CO-ADD:0156331,7.02,[O-][N+](C(C=C(OCO1)C1=C2)=C2/C=N/C3=CC(C(F)(F)F)=C(Cl)C=C3)=O,0.0
26914,CO-ADD:0155122,7.02,O=C(C(C=C1)=CC=C1F)C2=C(N)C(C=C3C)=C(N=C3CC)S2,0.0
26915,CO-ADD:0155855,7.02,S=C(OC1=CC(C(NC2=CC(C)=CC=C2)=O)=CC=C1)NC3=C(C)C(C)=CC=C3,0.0
26916,CO-ADD:0155903,7.02,N#CC1=C(SCC(NC2=NC(C=CC=C3)=C3S2)=O)NC(C)=C(C(C)=O)C1C4=CN=CC=C4,0.0
26917,CO-ADD:0154430,7.02,[H]N(C(COC1=CC=C(C=CC=C2)C2=C1)=O)NCC3=CNC4=C3C=CC=C4,0.0
26918,CO-ADD:0162442,7.02,S(N)(=O)(=O)c1ccc(cc1)Nc2scc(c3ccc(cc3)Cl)n2.Br,0.0
26919,CO-ADD:0162916,7.02,N(/c(cc1)ccc1Cc(cc2)ccc2\N=C\c3ccccc3)=C\c4ccccc4,0.0
26920,CO-ADD:0161682,7.02,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(COc(cc3)ccc3C)=O,0.0
26921,CO-ADD:0162774,7.02,C(/C#N)(=C/c1ccccc1)\C(=O)Nc(cc2)ccc2I,0.0
26922,CO-ADD:0162759,7.02,C(C)(C)(c1ccccc1)c2ccc(cc2)OCC(=O)Nc(cc3)ccc3CC,0.0
26923,CO-ADD:0161656,7.02,C(CNc1ccccc1)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
26924,CO-ADD:0161944,7.02,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)N\N=C\CCCCCCCCCCCCCCC)c1,0.0
26925,CO-ADD:0161707,7.02,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(ccc(c4Br)OC)c4,0.0
26926,CO-ADD:0164020,7.02,O=C(N1N(S(=O)(C2=CC=C(C)C=C2)=O)CC(CCCCCCC)C1O)OC(C)(C)C,0.0
26927,CO-ADD:0163107,7.01,c1(C#N)c(cc(nc1SCC(N)=O)C)C(F)(F)F,0.0
26928,CO-ADD:0163564,7.01,c1(\C=N\NC(COc2c(C)cccc2C)=O)cc(Br)cc(C)c1O,0.0
26929,CO-ADD:0161116,7.01,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(COc3ccc(cc3Br)OC)=O)o2,0.0
26930,CO-ADD:0161268,7.01,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c4ccc(cc4)OCc5ccccc5,0.0
26931,CO-ADD:0160063,7.01,[O-][N+](C(C=C1)=CC=C1NC2=NC(N3CCCCCC3)=NC(N/N=C/C4=C(C)NC5=C4C=CC=C5)=N2)=O,0.0
26932,CO-ADD:0159799,7.01,IC(C=C1)=CC=C1/C=N/NC2=NC(N3CCCCC3)=NC(N4CCCCC4)=N2,0.0
26933,CO-ADD:0160087,7.01,O=C(C1=CC=C2CCC3=C2C1=C4C=C3)N(C(C=C5)=CC=C5NC(C6=CC=CC=C6)=O)C4=O,0.0
26934,CO-ADD:0154863,7.01,BrC1=CC(Br)=CC(/C=N/C2=CC=C(C=C2)C3=NC4=NC=CC=C4O3)=C1O,0.0
26935,CO-ADD:0155457,7.01,O=C(C1=CC=CS1)NC2=C(C(OCC)=O)C(CCCC3)=C3S2,0.0
26936,CO-ADD:0158643,7.01,O=C(C1=CC(Cl)=CC=C1)NCC(O)C2=CC=CC=C2,0.0
26937,CO-ADD:0158681,7.01,[O-][N+](C1=CC=C(Cl)C(C(OC/2=O)=NC2=C/C3=CC=C(C(OC)=C3)OC(C)=O)=C1)=O,0.0
26938,CO-ADD:0158582,7.01,O=C(N/N=C(C)/C1=CC=C(N)C=C1)COC(C(Br)=C2)=C(Br)C=C2C,0.0
26939,CO-ADD:0155161,7.01,O=C(CCC1=CC=CC=C1)N2C=NC3=C2C=CC=C3,0.0
26940,CO-ADD:0155898,7.01,N#CC(C(C(C(Cl)=N1)=CC2=C1C=CC=C2)C(C(OCC)=O)=C(C3=CC=CC=C3)O4)=C4N,0.0
26941,CO-ADD:0156426,7.01,O=C(NC1=C(C=CC=C1)C(O)=O)C2=CC(C(C)=O)=C(C)O2,0.0
26942,CO-ADD:0155372,7.01,O=C(N(C1=CC=C(Cl)C=C1)N=C2C)C2=CNC3=NN=C(CC)S3,0.0
26943,CO-ADD:0155901,7.01,O=C(NC1(CC2C3)C[C@@H]3CC(C2)C1)C4=C(N)C(C(C)=C5)=C(N=C5C)S4,0.0
26944,CO-ADD:0162863,7.01,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2C(N)=O,0.0
26945,CO-ADD:0162091,7.01,N1(c2ccccc2)\C(=N\N=C\c(cc3)ccc3OC)\SCC1=O,0.0
26946,CO-ADD:0154359,7.01,NC1=CC(Br)=CC=C1C#N,0.0
26947,CO-ADD:0154361,7.01,CC(OC(N)=C(C1C2=CC=CC=C2)C#N)=C1C(O[C@@H]3C[C@@]4(C)CC[C@H]3C4(C)C)=O,0.0
26948,CO-ADD:0162517,7.01,B(CC1CC2CC3C1)(C3)C2.n(cccc4Br)c4,0.0
26949,CO-ADD:0154366,7.01,ClC(N=C(NCC#C)C(C#N)=C1C2=CC=CC=C2)=C1C#N,0.0
26950,CO-ADD:0163276,7.01,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C(/C)\c2ccccc2,0.0
26951,CO-ADD:0163580,7.01,N(=C(/C)\c(cc1)ccc1c2ccccc2)/NC(COc(ccc(c3C)C)c3)=O,0.0
26952,CO-ADD:0163588,7.01,C(=S)(Oc(cccc1C(=O)Nc(cc2)ccc2I)c1)N3CCCCC3,0.0
26953,CO-ADD:0163308,7.01,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(CNC(=O)c2ccco2)=O)c1,0.0
26954,CO-ADD:0159831,7.01,FC(F)(F)C1=CC=CC(N(C(C(C=C2)=CC=C2Br)C3)N=C3C(C=C4)=CC=C4OC)=C1,0.0
26955,CO-ADD:0159847,7.01,O=C(N/N=C/C(C(Cl)=CC=C1)=C1Cl)C(NC2=CC=CC(Cl)=C2Cl)=O,0.0
26956,CO-ADD:0159908,7.01,O=C(C1=CC(Br)=CC=C1)NN=C(CC2=CC=C(C=C2)Cl)CC3=CC=C(Cl)C=C3,0.0
26957,CO-ADD:0159784,7.01,C12=NON=C1N=C(NC3=CC=CC=C3)C(N4CCCC4)=N2,0.0
26958,CO-ADD:0159925,7.01,OC1=C(C=CC=C1)/C=N/C2=CC(N=C(C3=CC(C)=CC=C3)O4)=C4C=C2,0.0
26959,CO-ADD:0160530,7.01,O=C(N/N=C/C1=CC(I)=C(OC)C=C1)/C(NC(C2=CC=CC=C2)=O)=C\C3=CC(OCO4)=C4C=C3,0.0
26960,CO-ADD:0158621,7.01,O=C(O1)C(C(NC(C=C2)=CC=C2NC(C)=O)=O)=CC3=C1C(CC=C)=CC=C3,0.0
26961,CO-ADD:0155529,7.01,O=C(NC/1=O)N(C2=CC=C(OC)C=C2)C(C1=C/C(C(OC)=C3)=CC=C3OC)=O,0.0
26962,CO-ADD:0158569,7.01,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C(C)/C2=C(O)C=CC(O)=C2,0.0
26963,CO-ADD:0158593,7.01,O=C(N/N=C/C1=CC=C(Br)O1)COC(C(Br)=C2)=C(Br)C=C2C,0.0
26964,CO-ADD:0158525,7.01,ClC(N(C1=CC=CC=C1)N=C2C)=C2/C=N/NC(COC(C(Br)=C3)=CC=C3Cl)=O,0.0
26965,CO-ADD:0155393,7.01,O=C(OCCN(C)C)C1=CC2=C(C=C1)N(CC3=CC=CC=C3)C(C)=C2C.Cl,0.0
26966,CO-ADD:0156325,7.01,[O-][N+](/N=C(N)\N/N=C/C1=CC=C(C(C=C2)=C(Cl)C=C2[N+]([O-])=O)O1)=O,0.0
26967,CO-ADD:0156037,7.0,O=C(C1=CC=NC=C1)N/N=C/C2=C(Cl)C=C(OCO3)C3=C2,0.0
26968,CO-ADD:0155149,7.0,CC(C)C(C=C1)=CC=C1/N=C/C2=CNC3=C2C=CC=C3,0.0
26969,CO-ADD:0155165,7.0,[O-][N+](C1=CC(C2=CC=C(/C=C3N=C(C4=CC=CC(C)=C4)OC\3=O)O2)=CC=C1)=O,0.0
26970,CO-ADD:0158510,7.0,ClC(C=C1)=C(C=C1Cl)NC2=NC(N(CC)CC)=NC(NC3=CC(C)=CC=C3C)=N2,0.0
26971,CO-ADD:0155902,7.0,N#CC([C@@H](C(C=CC=C1)=C1C(F)(F)F)[C@@H]2C(N)=O)(C#N)[C@@]3([H])N2C=CC4=C3C=CC=C4,0.0
26972,CO-ADD:0154321,7.0,NC1=C2C(CCCC2)=NC3=C1C(C4=C(C=C(C=C4)OC)OC)C5=C(O3)C=CC6=C5C=CC=C6,0.0
26973,CO-ADD:0163007,7.0,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(=O)c(ccc(n2)C)c2,0.0
26974,CO-ADD:0161818,7.0,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O)o2,0.0
26975,CO-ADD:0161222,7.0,c([nH]1)(cc(n1)c2ccccc2)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
26976,CO-ADD:0161742,7.0,C(NCCCCCC(=O)N\N=C\C(CCC(=C1)C)C1)(=O)c2ccc(c(OC)c2)OC,0.0
26977,CO-ADD:0162987,7.0,c1(C(=O)N\N=C\c(cc2)ccc2C(OC)=O)nn(c(c3ccccc3)n1)c4ccccc4,0.0
26978,CO-ADD:0163525,7.0,c1(cc(\C=N\NC(COc2ccccc2C)=O)cc(OC)c1O)[N+](=O)[O-],0.0
26979,CO-ADD:0163541,7.0,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cc(Br)cc(C)c3O,0.0
26980,CO-ADD:0163269,7.0,S(=O)(=O)(C(C)(C)C)c1ccccc1C=O,0.0
26981,CO-ADD:0163085,7.0,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccccc4Oc5ccccc5,0.0
26982,CO-ADD:0163084,7.0,C1(=Cc2c(OC1=O)cccc2)c3csc(N\N=C\c(ccc(c4[N+](=O)[O-])N(C)C)c4)n3,0.0
26983,CO-ADD:0159978,7.0,[O-][N+](C1=CC(/C=N/N=C(S/2)\NC(C2=C/C3=CC(C(F)(F)F)=CC=C3)=O)=CC=C1)=O,0.0
26984,CO-ADD:0160553,7.0,O=C(N/N=C/C1=C(C=CC=C2)C2=CC(Br)=C1OCC)C3C(C4=CC=CC=C4)(C5=CC=CC=C5)C3,0.0
26985,CO-ADD:0160477,7.0,O=C1C2=C(C(OC(C)=O)=CC=C2OC(C)=O)C(C3=C1C=CC=C3)=O,0.0
26986,CO-ADD:0160366,7.0,[O-][N+](C(C=C1)=CC=C1NC2=NC(NC3=CC=C(C(C)=C3)C)=NC(N/N=C/C4=CC=CC(I)=C4)=N2)=O,0.0
26987,CO-ADD:0160441,7.0,[O-][N+](C(C=C1)=CC=C1/C=N/C2=CC(N=C(C3=CC=C(I)C=C3)O4)=C4C=C2)=O,0.0
26988,CO-ADD:0155982,7.0,[O-][N+](C1=CC2=C(C=C1)N=C(CC(C)C)N2)=O,0.0
26989,CO-ADD:0156382,7.0,N#CC1=C(N)OC(NN=C2C)=C2C1C(C(Cl)=CC=C3)=C3Cl,0.0
26990,CO-ADD:0156047,7.0,O=S(NC1=NC=C(C)C=C1)(CCCCCCCCC)=O,0.0
26991,CO-ADD:0156455,7.0,O=S(C1=CC(C(NC2=CC(C(C)=O)=CC=C2)=O)=CC=C1Cl)(N3CCOCC3)=O,0.0
26992,CO-ADD:0156463,7.0,O=C1N(C)C2=CC(/N=C/C3=CC=C(C([N+]([O-])=O)=C3)Br)=CC=C2N1C,0.0
26993,CO-ADD:0156095,7.0,O=C1OC(C(C=CC=C2)=C2F)=N/C1=C/C3=CC=C(C(OCC)=C3)OC(C)=O,0.0
26994,CO-ADD:0156219,7.0,S=C(NC1=O)NC(C1=CC2=CC=C(C3=CC(C(O)=O)=C(Cl)C=C3)O2)=O,0.0
26995,CO-ADD:0155926,7.0,O=C(CSC1=NC(SCC(NC2=C(C)C=CC(Cl)=C2)=O)=NC(SCC(NC3=C(C)C=CC(Cl)=C3)=O)=N1)NC4=C(C)C=CC(Cl)=C4,0.0
26996,CO-ADD:0155110,7.0,NC1=C(C(OCC)=O)SC2=C1C(C(F)(F)F)=CC(C)=N2,0.0
26997,CO-ADD:0155150,7.0,O=C1C(C(NCC/N=C/C(C=CC=C2)=C2O)=O)=C(O)C(C=CC=C3)=C3O1,0.0
26998,CO-ADD:0163718,7.0,C(=O)(N\N=C\c1cccc(cccc2)c12)C(=O)Nc3ccc(cc3C)Cl,0.0
26999,CO-ADD:0163382,7.0,C(=O)(NCC(=O)N\N=C(/C)\c(cc1)ccc1c2ccccc2)c3ccco3,0.0
27000,CO-ADD:0163330,7.0,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2cccc(Br)c2,0.0
27001,CO-ADD:0161403,7.0,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(c3)C(=O)OCC(c4ccccc4)=O,0.0
27002,CO-ADD:0161243,7.0,C(=O)(C(CC)N1CCCCCC1)N(C2CCCCC2)C3CCCCC3.Cl,0.0
27003,CO-ADD:0162783,7.0,C(=O)(N\C(=C\c1ccccc1)\C(=O)N\N=C\c(cc(Br)cc2Br)c2OC)c3ccccc3Cl,0.0
27004,CO-ADD:0162887,7.0,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1C(OCC)=O)C(=O)Nc2cccc(Cl)c2C,0.0
27005,CO-ADD:0162104,7.0,S(=O)(=O)(c(cccc1C(=O)Nc2cccc(F)c2)c1)N3CCCCC3,0.0
27006,CO-ADD:0162400,7.0,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c(ccc4c5ccc(cc5)F)o4,0.0
27007,CO-ADD:0289039,7.0,N(CC1)(CCC1CC(=O)O)S(=O)(=O)c(c(C)n2)c(o2)C,0.0
27008,CO-ADD:0288554,7.0,c1(c(cccn2)c2)ncc(C)n1CC(C3)CN3,0.0
27009,CO-ADD:0289297,7.0,c1(C(OCC)=O)sc(nc1C)C,0.0
27010,CO-ADD:0289344,7.0,n1c(CCNC)noc1COc(cc(C)cc2C)c2.Cl,0.0
27011,CO-ADD:0289217,6.99,N(CC1)(CCN1C)Cc(cc2)ccc2CC(CCN3)CC3.Cl.Cl.Cl,0.0
27012,CO-ADD:0288878,6.99,c1(ncc(n1Cc(c2)ccc(F)c2)C)c3oc([N+](=O)[O-])cc3,0.0
27013,CO-ADD:0163518,6.99,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc2ccccc2C)=O)c3ccco3,0.0
27014,CO-ADD:0155998,6.99,O=C(C=C/1C)C(C(C)C)=CC1=N\OC(C(C=C2)=CC=C2C)=O,0.0
27015,CO-ADD:0160620,6.99,O=C(N)C1=CC(OCCO2)=C2C=C1,0.0
27016,CO-ADD:0160252,6.99,COC1=CC(/C=N/NC2=NC(N3CCOCC3)=NC(N4CCCC4)=N2)=CC=C1OC,0.0
27017,CO-ADD:0161308,6.99,C(C#N)(C1c(cc2)ccc2C(C)C)=C(N)SC(N)=C1C#N,0.0
27018,CO-ADD:0161485,6.99,c1(non2)c2nc(NC)c(Nc3cc(C)ccc3C)n1,0.0
27019,CO-ADD:0161117,6.99,C(=N/NC(COc1ccc(cc1Br)OC)=O)(/c(cccc2C)c2N3)\C3=O,0.0
27020,CO-ADD:0154778,6.99,O=C(NCCCCCCCCCCC)C(C=C1)=CC=C1NCC(OC2CCCCCCCCCCC2)=O.Cl,0.0
27021,CO-ADD:0154786,6.99,O=C(C1=CC=CC=C1C(O)=O)NC2=NC=C(Cl)C=C2,0.0
27022,CO-ADD:0154894,6.99,O=C(C1=C2NN=N1)C3=C(N=NN3)C2=O,0.0
27023,CO-ADD:0154963,6.99,O=C(NC1=CC=C(C(Cl)=C1)Cl)NC2=NC(C)=C(CC(Cl)(Cl)Cl)S2,0.0
27024,CO-ADD:0163338,6.99,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C(/C)\c2ccccc2,0.0
27025,CO-ADD:0163370,6.99,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(COc3ccc(cc3Br)OC)=O)o2)c1,0.0
27026,CO-ADD:0163378,6.99,c(\C=N\NC(COc1ccc(cc1Br)OC)=O)(cc(Br)c(c2)O)c2O,0.0
27027,CO-ADD:0163907,6.99,C(CN(CN1C2)CN23)(C3)(C1)\C(\c4ccccc4)=N/NC(=O)c(cc5)ccc5[N+](=O)[O-],0.0
27028,CO-ADD:0163319,6.99,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
27029,CO-ADD:0163335,6.99,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2ccco2,0.0
27030,CO-ADD:0162901,6.99,[N+](=O)([O-])c1cc(ccc1C)\C=N\NC(CCCc(cc2)ccc2OC)=O,0.0
27031,CO-ADD:0162382,6.99,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccc(cc3)Br)OCC,0.0
27032,CO-ADD:0162118,6.99,C1(C(OCC)=O)=C(CC2C(=O)CC(CC2=O)(C)C)NC(=O)N1,0.0
27033,CO-ADD:0161779,6.99,C(COc(cc1)ccc1Cl)(=O)N\N=C\c2ccccc2OCc3ccccc3,0.0
27034,CO-ADD:0161247,6.99,N1(CCCCCC(=O)Nc(cc2C)c3c(n2)cccc3)C(=O)c4c(cccc4)C1=O,0.0
27035,CO-ADD:0161783,6.99,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c2ccccc2O,0.0
27037,CO-ADD:0160277,6.99,O=C(N/N=C/C(C(O)=C1)=C(C)C=C1O)C2C(C3=CC=CC=C3)(C4=CC=CC=C4)C2,0.0
27038,CO-ADD:0160110,6.99,O=C(C1=CC(OC2=CC=C(C=C2)N(C3=O)C(C4=CC([N+]([O-])=O)=CC=C34)=O)=CC=C51)N(C5=O)C6=CC=C(O)C=C6,0.0
27039,CO-ADD:0161466,6.99,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C/c(ccc(c4OC)OC)c4,0.0
27040,CO-ADD:0161490,6.99,c(non1)(nc(N)c(n2)NCC(O)CN(CC)CC)c12,0.0
27041,CO-ADD:0161506,6.99,N1(CN2CCCCC2)c(cc3)c(OC1=O)cc3S(=O)(=O)Nc(cc4)ccc4F,0.0
27042,CO-ADD:0161301,6.99,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c(cc4)ccc4c5ccccc5,0.0
27043,CO-ADD:0155511,6.99,O=C(N(C1=CC=CC=C1)N(C2=CC=CC=C2)C3=O)C3=C(C)/C=C/C4=CC=C(C=C4)N(C)C,0.0
27044,CO-ADD:0155551,6.99,O=C1C(C(C2=CC(C(O)=O)=CC=C2)C(C(O)=O)=C(O)O3)=C3CC(C)(C)C1.Cl.Cl,0.0
27045,CO-ADD:0158515,6.99,IC1=CC(Cl)=CC(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=CC=C4)=C1O,0.0
27046,CO-ADD:0158663,6.99,BrC1=C(O)C(Br)=CC(/C=N/NC2=NC(N3CCOCC3)=NC(NC4=CC(C)=CC=C4C)=N2)=C1O,0.0
27047,CO-ADD:0156360,6.99,O=C(/C(C1=C2C(C)=CC(Br)=C1)=N\NC(C(C=CC=C3)=C3Cl)=O)N2C,0.0
27048,CO-ADD:0156184,6.99,O=C(COC(C=C1)=CC=C1OCCCCCCCC)N/N=C/C2=C(O)C=CC3=C2C=CC=C3,0.0
27049,CO-ADD:0163351,6.99,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2cccc(I)c2,0.0
27050,CO-ADD:0163332,6.99,n1c(c(ccc(c2Cl)Cl)c2)csc1Nc3cccc(C)c3.Br,0.0
27051,CO-ADD:0163429,6.99,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(=O)C2COc(c3O2)cccc3,0.0
27052,CO-ADD:0163369,6.99,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2cccc(O)c2,0.0
27053,CO-ADD:0162234,6.99,c1(N(CC2)CCO2)nc(N\N=C\c3cc(Br)ccc3OC)nc(Nc4cccc(Br)c4)n1,0.0
27054,CO-ADD:0162346,6.99,C(=O)(c1ccc(cc1)NC(CCCCCCC)=O)Nc(ccc(c23)cccc2)c3,0.0
27055,CO-ADD:0161376,6.99,C(C#N)(=C([S-])NC(=C1C#N)N)C1c2ccccc2C(F)(F)F,0.0
27056,CO-ADD:0162937,6.99,C(=O)(N\N=C\c1c(cccc1F)Cl)C(=O)Nc2ccccc2F,0.0
27057,CO-ADD:0161752,6.98,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(cc(I)cc2I)c2O)nc3Nc4ccccc4)n3,0.0
27058,CO-ADD:0163021,6.98,C(c(cc1)ccn1)(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
27059,CO-ADD:0161209,6.98,N1(c2c(Cl)ccc(Cl)c2)C(=O)C(CC1=O)SC(N\N=C\c(cccc3[N+](=O)[O-])c3)=N,0.0
27061,CO-ADD:0157417,6.98,O=C(NC1=C(Cl)C=CC(C(F)(F)F)=C1)C2=CC=C(Br)O2,0.0
27062,CO-ADD:0158704,6.98,O=C(COC(C=C1)=CC=C1C)NCC2=CC=CN=C2,0.0
27063,CO-ADD:0156953,6.98,O=C1C2=C(SC3=CC=CC=C3)N=C(C)C=C2CO1,0.0
27064,CO-ADD:0158034,6.98,NC1=CC2=C(C=C1)N=C(CC)N2.Cl,0.0
27065,CO-ADD:0157706,6.98,N#CC1=C(C(C=C2)=CC=C2OC)C=C(C3=CC=CC=C3)NC1=S,0.0
27066,CO-ADD:0156890,6.98,ClC1=CC=C(C=C1)N/N=C/C2=CC=C(C=C2)N3CCOCC3,0.0
27067,CO-ADD:0161621,6.98,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\C=C\c2ccc(C)o2,0.0
27068,CO-ADD:0159915,6.98,O=S(OC1=CC=C(C=C1)C2(CCCC2)C(C=C3)=CC=C3OS(C(C=C4)=CC=C4[N+]([O-])=O)(=O)=O)(C(C=C5)=CC=C5[N+]([O-])=O)=O,0.0
27069,CO-ADD:0160343,6.98,N#CC1=C(N=C(C)C=C1COC)SCC(C2(C[C@@H]3C4)C[C@@H]4C[C@@H](C3)C2)=O,0.0
27070,CO-ADD:0156023,6.98,N=C(N/N=C/C(C=CC=C1)=C1O)C2=NON=C2N,0.0
27071,CO-ADD:0160613,6.98,O=C(C1=CC=CC=C1)NC2=CC=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(C=C5)=CC=C5NC(C6=CC=CC=C6)=O,0.0
27072,CO-ADD:0160614,6.98,O=C(NC1=CC=CC=C1)C(NCCC2=CC=C(C(OC)=C2)OC)=O,0.0
27073,CO-ADD:0156192,6.98,C#CCOC(C1=C(C=CC=C1)C(NCCCCCCCC)=O)=O,0.0
27074,CO-ADD:0156224,6.98,O=S(C1=CC(C(NC2=CC(O)=CC=C2)=O)=CC=C1C)(N3CCCCC3)=O,0.0
27075,CO-ADD:0156457,6.98,BrC1=CC(Br)=CC(/C=N/C2=CC(N=C(C3=CC(C)=C(C)C=C3)O4)=C4C=C2)=C1O,0.0
27076,CO-ADD:0156081,6.98,O=C(N/N=C/C1=CC=C(C(OCC)=C1)O)C(C2=CC=CC=C2)(O)C3=CC=CC=C3,0.0
27077,CO-ADD:0156089,6.98,O=C1OC(C2=CC=CO2)=N/C1=C/C3=CC=C(C(OCC)=C3)OC(C)=O,0.0
27078,CO-ADD:0156204,6.98,[O-][N+](C1=C(O)C(/C=N/C2=CC3=C(C=C2)OC(C(C(Cl)=C4)=CC=C4Cl)=N3)=CC=C1)=O,0.0
27079,CO-ADD:0162323,6.98,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(=O)CCN(CC3)CCO3)o1,0.0
27080,CO-ADD:0162227,6.98,c1(N(CC2)CCN2C)nc(N\N=C\c(c(OC)ccc3[N+](=O)[O-])c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
27081,CO-ADD:0162660,6.98,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCC(=O)CC(OC(C)C)=O)c3cccs3,0.0
27082,CO-ADD:0162296,6.98,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc3ccc(cc3Cl)Cl)=O,0.0
27083,CO-ADD:0162336,6.98,C(COc1ccc(cc1Br)C)(=O)N\N=C\c2cccc(O)c2,0.0
27084,CO-ADD:0162612,6.98,n1c(ccc(C#N)c1SCC(=O)CC(OCC)=O)c2cccs2,0.0
27085,CO-ADD:0162641,6.98,C1(=C(C=C(C)OC1=O)OC(=C2C#N)N)C2c3cc(Br)ccc3OCC,0.0
27086,CO-ADD:0162737,6.98,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c2ccccc2O)c3ccccc3Br,0.0
27087,CO-ADD:0163700,6.98,[N+](=O)([O-])c(ccc(c1\C=N\c(c(Cl)ccc2C(F)(F)F)c2)O)c1,0.0
27088,CO-ADD:0163796,6.98,C(=O)(Nc(cc1)ccc1C)C\C(\C)=N\NC(=O)c2ccc(cc2)NC(C)=O,0.0
27089,CO-ADD:0163188,6.98,c12c(c3c(cccc3)C1=O)c4c(ccc(cccc5)c45)nc2c6cccc(Cl)c6,0.0
27090,CO-ADD:0163316,6.98,c1(\C=N\NC(COc(cc2)ccc2OC)=O)cc(Br)cc(Br)c1OCC(O)=O,0.0
27091,CO-ADD:0163054,6.98,c1(OCCNC(CCC2CCCC2)=O)cc(C)ccc1C(C)C,0.0
27092,CO-ADD:0163519,6.98,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(ccc(c23)OCCO2)c3)O)c1,0.0
27093,CO-ADD:0158095,6.98,O=C(C(C=C1)=CC=C1C)OC(C=C2)=CC=C2/C=N/NC(C3=CC(Br)=CC=C3)=O,0.0
27094,CO-ADD:0156903,6.98,O=C(OC)C1=CC=C(C=C1)C2=NC3=NN=C(C)N3N2,0.0
27095,CO-ADD:0157399,6.98,ClC1=CC(Cl)=CC=C1C2=C(/N=C/C3=C(OC)C(Br)=CC(Br)=C3)N(C=CC=C4)C4=N2,0.0
27096,CO-ADD:0157688,6.98,[O-][N+](C(N=C1)=NN1CC(N(C)/N=C/C2=CC=C3OCOC3=C2)=O)=O,0.0
27097,CO-ADD:0158104,6.98,[O-][N+](C1=CC=CC(/C=N/NC(CN(C)C2=CC=CC=C2)=O)=C1)=O,0.0
27098,CO-ADD:0157720,6.98,OC1=C(CN2CCOCC2)C=C(COC)C3=CC=CN=C13,0.0
27099,CO-ADD:0291632,6.98,n1(CC(O)Cn2c(c3ccccc3)cc(c4ccccc4)n2)c5c(c(cc(Cl)cc6)c16)cc(Cl)cc5,0.0
27100,CO-ADD:0291641,6.98,n1(CC(O)CNc2cccc(C)c2C)c3c(c(cc(Br)cc4)c14)cc(Br)cc3,0.0
27101,CO-ADD:0288547,6.98,n1(CC(CCN2)C2)c(C)cnc1c3ccccc3.Cl.Cl,0.0
27102,CO-ADD:0288816,6.98,c1(ccccn1)C(NCC#C)=O,0.0
27103,CO-ADD:0156404,6.98,N#C/C(C(ONC1=CC=CC=C1)=O)=C\C=C2C3=C(N(CCCCCCCCCCCC)C=C\2)C=CC=C3,0.0
27104,CO-ADD:0156437,6.98,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=CC(Cl)=CC(Cl)=C3O)=NC(NC4=CC(C)=C(C)C=C4)=N2)=O,0.0
27105,CO-ADD:0156056,6.97,O=C1OC(C2=CC=CC=C2Cl)=N/C1=C\C3=CC(OC)=C(OC)C(OC)=C3,0.0
27106,CO-ADD:0156120,6.97,O=C(N/N=C/C1=CC(OC)=C(O)C=C1)C(NCC(C)C)=O,0.0
27107,CO-ADD:0156504,6.97,O=C(N(CN(C(C)(C)C)C1)C2N1C(N(C)C23)=O)N3C,0.0
27108,CO-ADD:0156101,6.97,O=C1/C(N=C(C2=CC=CC(OC(C)=O)=C2)O1)=C/C3=CC=C(C(OCC)=C3)OC(C)=O,0.0
27109,CO-ADD:0162665,6.97,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCc3cccc(Br)c3)c4cccs4,0.0
27110,CO-ADD:0162205,6.97,c1(N2CCCC2)nc(N\N=C\c3ccc(cc3Cl)Cl)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
27111,CO-ADD:0162169,6.97,c1(N(CC2)CCO2)nc(N\N=C/c3ccccc3O)nc(Nc4cccc(Br)c4)n1,0.0
27112,CO-ADD:0162281,6.97,c1(N(CC2)CCO2)nc(N\N=C/c(cc3)ccc3C)nc(Nc4cccc(Br)c4)n1,0.0
27113,CO-ADD:0162185,6.97,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O,0.0
27114,CO-ADD:0162305,6.97,c1(ccc(C)o1)\C(\C)=N\NC(COc2c(Cl)cc(cc2Cl)Cl)=O,0.0
27115,CO-ADD:0163204,6.97,C(OC(=O)Nc(cc1)ccc1C(OCC)=O)(C(F)(F)F)(C(F)(F)F)C(OC(=O)Nc(cc2)ccc2C(OCC)=O)(C(F)(F)F)C(F)(F)F,0.0
27116,CO-ADD:0162261,6.97,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c5cc(Br)ccc5O,0.0
27117,CO-ADD:0163829,6.97,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3OC)C(=O)Oc(cc4)ccc4\C=N\c(cc5)ccc5OC,0.0
27118,CO-ADD:0163145,6.97,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(cc2)ccc2OC,0.0
27119,CO-ADD:0163889,6.97,N(/NC(=O)CN(C)c1ccccc1)=C(/C)\c2cccc(cccc3)c23,0.0
27120,CO-ADD:0163600,6.97,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N\N=C\c(cc3)cc(c3N(C)C)Br,0.0
27121,CO-ADD:0157691,6.97,[O-][N+](C(C=C1)=CC=C1C(C(C(C)=O)=C(O)C2=O)N2CCCO)=O,0.0
27122,CO-ADD:0157363,6.97,O=C1NC(C(C=C2)=CC=C2/N=C/C3=CC=CC=C3)(C(C=C4)=CC=C4/N=C/C5=CC=CC=C5)C6=CC=CC=C61,0.0
27123,CO-ADD:0156955,6.97,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C3=CC([N+]([O-])=O)=CS3,0.0
27124,CO-ADD:0157660,6.97,N#CC1=C(SCC(NC(C=CC=C2)=C2I)=O)N=C(C3=CC=CS3)C=C1C4=CC=C(F)C=C4,0.0
27125,CO-ADD:0155037,6.97,N#CC1(C#N)C(N)=C(C2=CCN(C)C[C@]2([H])[C@H]1C(C=C3)=CC=C3OC)C#N,0.0
27126,CO-ADD:0158041,6.97,O=C(C/C(C)=N/NC(C(C=CC=C1)=C1Cl)=O)N2CCN(C)CC2,0.0
27127,CO-ADD:0160278,6.97,ClC1=C(OC)C=CC(/C=N/C2=CC(N=C(C3=CC=CC=C3)O4)=C4C=C2)=C1,0.0
27128,CO-ADD:0160670,6.97,O=C(CNC1=CC=C(I)C=C1)N/N=C/C(C(O)=C2)=CC=C2O,0.0
27129,CO-ADD:0161478,6.97,C(=C/c1ccccc1)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
27130,CO-ADD:0161502,6.97,c1(SCC(=O)N\N=C\c(ccc(c23)OCO2)c3)oc(c4n1)cccc4,0.0
27131,CO-ADD:0160599,6.97,C1(CN2CCCCC2)=NC3=C(C=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O1,0.0
27132,CO-ADD:0154775,6.97,O=C(C1=C2C=CC(C(OC3=CC=C(C=C3)C(C4=C5C=CC=C4)(C6=CC=CC=C6C5=O)C(C=C7)=CC=C7OC(C8=CC9=C(C=C8)C(N(C%10=CC=CC=C%10)C9=O)=O)=O)=O)=C1)N(C2=O)C%11=CC=CC=C%11,0.0
27133,CO-ADD:0155829,6.97,[O-]S(C(C=C1NC2=O)=C(C=C1N2)[N+]([O-])=O)(=O)=O,0.0
27134,CO-ADD:0155573,6.97,O=C1C(C(N(C2=CC=CC=C2)N1C3=CC=CC=C3)=O)=NNC(C(Cl)=C4)=C(Cl)C=C4[N+]([O-])=O,0.0
27135,CO-ADD:0158737,6.97,O=C(COC1=C(C)C=C(Br)C=C1C)N/N=C/C2=C(O)C(Br)=CC(Br)=C2,0.0
27136,CO-ADD:0156225,6.97,O=C1N(CCC1)N(CC2=CC=CC=C2)C(C=C3)=CC=C3Br,0.0
27137,CO-ADD:0162646,6.97,C1(=C(C=C(C)OC1=O)OC(=C2C#N)N)C2c3ccc(C)o3,0.0
27138,CO-ADD:0162614,6.97,c(C#N)(c1c2cccs2)c(SCC(=O)CC(OCC)=O)nc(N)c1C#N.Cl.Cl,0.0
27139,CO-ADD:0162677,6.97,c(C#N)(cc(C(C)=O)c(n1)C)c1SCc(cc2)ccc2F,0.0
27140,CO-ADD:0162701,6.96,C(=O)(c(cc1)ccc1c2ccccc2)NNC(c3ccccc3)=O,0.0
27141,CO-ADD:0162225,6.96,c1(N(CC2)CCO2)nc(N\N=C\c(c(Cl)ccc3[N+](=O)[O-])c3)nc(Nc(cccc4C(F)(F)F)c4)n1,0.0
27142,CO-ADD:0162837,6.96,c(\C=N\NC(COc(cc1)ccc1CCCCC)=O)(cc(Br)cc2Br)c2O,0.0
27143,CO-ADD:0163861,6.96,C(=O)(c1cccc(c1)OC(NCCCC(C)C)=S)Nc(cc2)ccc2OCC,0.0
27144,CO-ADD:0163797,6.96,C(=N/Nc(cc1)ccc1C(OCC)=O)(/C(=O)NC(N2)=S)\C2=O,0.0
27145,CO-ADD:0163820,6.96,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(cc2)ccc2OCC=C,0.0
27146,CO-ADD:0162452,6.96,n1(c(C)nc(ccc(c2)NS(=O)(=O)c3ccc(cc3)C)c12)S(=O)(=O)c4ccc(cc4)C,0.0
27147,CO-ADD:0163220,6.96,c1(cccc(cccc2)c12)CC(=O)N\N=C\c3cccc(C)c3O,0.0
27148,CO-ADD:0157380,6.96,S=C(N(CC=C)CC=C)OC1=CC=C(C=C1)C(NC2=CC=C(OC)C=C2)=O,0.0
27149,CO-ADD:0155325,6.96,[O-][N+](C1=CC=CC(C(N2)=NC(C3=CC=CC=C3)=C2C(C=C4)=CC=C4C(N=C(C5=CC=CC([N+]([O-])=O)=C5)N6)=C6C7=CC=CC=C7)=C1)=O,0.0
27150,CO-ADD:0155694,6.96,BrC1=CC(Br)=CC(/C=N/C2=CC(N=C(C3=CC=C4C=CC=CC4=C3)O5)=C5C=C2)=C1O,0.0
27151,CO-ADD:0155726,6.96,OC(C=C1)=C(C=C1/N=C/C2=C(C=CC=C3)C3=CC=C2O)C4=NC(C=C5CC)=C(C=C5)O4,0.0
27152,CO-ADD:0155318,6.96,O=C(C(C=C1)=CC=C1NC(CCCCCCC)=O)NC2=CC=CC(NC(C3=CC=CC=C3)=O)=C2,0.0
27153,CO-ADD:0158086,6.96,O=S(NC(CC(C)C)C(OC)=O)(C1=CC=C(Cl)C=C1)=O,0.0
27154,CO-ADD:0160215,6.96,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=CC=CC=C3F)=NC(N4CCOCC4)=N2)=O,0.0
27155,CO-ADD:0160639,6.96,BrC1=CC(/C=N/C(NN=C2C)=C2C3=CC(Br)=CC=C3)=C(O)C=C1,0.0
27156,CO-ADD:0160671,6.96,O=C(C1=CC=CC(Br)=C1)N/N=C/C2=CC=C(OC)C(OC)=C2OC,0.0
27157,CO-ADD:0160112,6.96,S=C(NC1=C(C(OCC)=O)C2(CCCCC2)CC3=CC=CC=C13)NC(C4=CC=CC=C4)=O,0.0
27158,CO-ADD:0156050,6.96,OC1=CC=C(OC)C=C1/C=N/C(C2=CC=C3)=CC=CC2=C3/N=C/C4=CC(OC)=CC=C4O,0.0
27159,CO-ADD:0156434,6.96,O=C(C1=CC=CC2=C1C3=CC=C2)N(C4=CC=C5NC(NC5=C4)=O)C3=O,0.0
27160,CO-ADD:0156349,6.96,O=C1N(C(C=C2)=CC=C2C(OCC)=O)C(C3C4C=CC(CC4)C13)=O,0.0
27161,CO-ADD:0156397,6.96,N#CC1=C(Cl)C(Cl)=C(N(CC2)CCN2C(C3=CC=CC=C3)=O)N=C1Cl,0.0
27162,CO-ADD:0156462,6.96,[O-][N+](C1=CC(/C=N/C2=CC3=C(C=C2)OC(C4=C(Cl)C=C(F)C=C4)=N3)=C(O)C=C1)=O,0.0
27163,CO-ADD:0155758,6.96,O=C(C1=CC(C(O)=O)=CC=C21)N(C3=CC=CC(NC(C)=O)=C3)C2=O,0.0
27164,CO-ADD:0162562,6.96,C(/C(C)=NO1)(\C1=O)=C\c2ccc(cc2OCc3ccccc3)OCc4ccccc4,0.0
27165,CO-ADD:0162213,6.96,c1(N2CCCC2)nc(N\N=C\c(cc3)ccc3Cl)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
27166,CO-ADD:0162262,6.96,c1(N(CC2)CCO2)nc(N\N=C(\C)/c3ccccc3)nc(Nc4cccc(Br)c4)n1,0.0
27167,CO-ADD:0162266,6.96,c1(N(CC2)CCO2)nc(N\N=C/c3cccc(F)c3)nc(Nc4cccc(Br)c4)n1,0.0
27168,CO-ADD:0162342,6.96,[N+](=O)([O-])c1ccccc1NC(=O)c2ccc(cc2)NC(=O)c3cccc(C)c3,0.0
27169,CO-ADD:0162679,6.96,c(C#N)(cc(C(C)=O)c(n1)C)c1SC\C=C\c2ccccc2,0.0
27170,CO-ADD:0163156,6.96,C(F)(F)(C(F)(F)COc1ccccc1NC(=O)Nc2cccc(cccc3)c23)C(F)(F)C(F)F,0.0
27171,CO-ADD:0163864,6.96,C(=O)(c1cccc(c1)OC(NCc2ccccc2)=S)Nc(cc3)ccc3OCC,0.0
27172,CO-ADD:0163851,6.96,C(=O)(c1cccc(c1)OC(NCc2ccccc2)=S)Nc(cc3)ccc3C,0.0
27173,CO-ADD:0163203,6.96,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Br)Nc3cccc(O)c3,0.0
27174,CO-ADD:0163855,6.96,C(=O)(C\C(\C)=N\NC(OCc(cc1)ccc1OC)=O)Nc2ccc(cc2C)Cl,0.0
27175,CO-ADD:0163127,6.96,c1(ccccc1I)C(NCCCN(C)C)=O.Cl,0.0
27176,CO-ADD:0158110,6.96,O=C(NN=C1CCCC1)C(CC2=CC=C(O)C=C2)NC(C)=O,0.0
27177,CO-ADD:0155207,6.96,N#CC1=C(C)C=C(NC2=CC=CC=C2)N3C1=NC4=C3C=CC(C)=C4,0.0
27178,CO-ADD:0155360,6.96,O=C(C1=CC(C(OC)=O)=CC=C21)N(C(C=CC=C3)=C3C(OCC(C)C)=O)C2=O,0.0
27179,CO-ADD:0158323,6.96,O=C(NC1=CC=C(Cl)C=C1)CCN2CCN(C3=CC=CC=C3)CC2,0.0
27180,CO-ADD:0157547,6.96,O=C1[C@@H]2[C@@](C3=CC=CC=C43)(Br)C5=CC=CC=C5C4(Br)C2C(N1C6=NC=CC=C6)=O,0.0
27181,CO-ADD:0155994,6.95,[O-][N+](C1=CC=C(C(C(SC2)NC2C(O)=O)=C1)C)=O,0.0
27182,CO-ADD:0159723,6.95,BrC1=CC=C(C=C1)C2=NN(C3=CC=CC=C3)C(/N=C/C4=C(C=CC=C5)C5=CC=C4OC)=C2,0.0
27183,CO-ADD:0159763,6.95,N#CC1(C#N)C(N)=C(C2=CCN(CCC)C[C@@]2([H])[C@@H]1C(C=C3)=CC=C3OC)C#N,0.0
27184,CO-ADD:0160584,6.95,[O-][N+](C1=CC(/C=N/NC(C(CC2=CC=CC=C2)C(N/N=C/C3=CC=C(OC(C4=CC=CC5=C4C=CC=C5)=O)C([N+]([O-])=O)=C3)=O)=O)=CC=C1OC(C6=CC=CC7=C6C=CC=C7)=O)=O,0.0
27185,CO-ADD:0160081,6.95,S=C(NCCOC1=CC=C(C=C1)OC)NC2=CC=C(C3=CC=CC=C3)C=C2,0.0
27186,CO-ADD:0160105,6.95,O=C(C1N2CCN(C3=CC=C(F)C=C3)CC2)N(C4=CC=CC=C4)C(C1)=O,0.0
27187,CO-ADD:0158782,6.95,O=C(N/N=C/C=C/C1=CC=CC=C1)C(C=C2)=CC=C2NC(CCCCC)=O,0.0
27188,CO-ADD:0158790,6.95,O=C([C@@]1(C)C[N@](C2(CCCCC2)[N@@](C3)C1)C4)[C@]43C,0.0
27189,CO-ADD:0155811,6.95,ClC1=CC(NC2=NC3=NON=C3N=C2NC4=CC(Cl)=C(Cl)C=C4)=CC=C1Cl,0.0
27190,CO-ADD:0156320,6.95,O=C1N(C)C(C=CC(C)=C2)=C2C1=O,0.0
27191,CO-ADD:0155600,6.95,O=C(NCC1=CC=C(C=C1)C(C)C)C2=CC=CC(C(NCC3=CC=C(C(C)C)C=C3)=O)=C2,0.0
27192,CO-ADD:0162186,6.95,C(COc(cc1)ccc1I)(=O)N\N=C\c2cccc(Cl)c2,0.0
27193,CO-ADD:0162290,6.95,c1(N(CC2)CCO2)nc(N\N=C\c(cc(OCO3)c3c4)c4Br)nc(Nc5cccc(Br)c5)n1,0.0
27194,CO-ADD:0154502,6.95,O=C1SC(SCC2=CC=CC=C2)=NC1=CC3=CC=CC(OCC4=CC=CC=C4)=C3,0.0
27195,CO-ADD:0162486,6.95,C1(C)(CC2)C(C[C@@H](C)[C@]1(C)C(C)=O)C(C23)CC=C(CCCC4OC(C)=O)C34C,0.0
27196,CO-ADD:0162443,6.95,n1c(c2ccc(cc2)Cl)csc1Nc(cc3)ccc3O.Br,0.0
27197,CO-ADD:0154415,6.95,O=C(C)N/C(C(O)=O)=CC1=CC=CC=C1,0.0
27198,CO-ADD:0163255,6.95,c(C#N)(c1SC)c(SC)sn1,0.0
27199,CO-ADD:0163575,6.95,c1(ccc(\C=N\NC(=O)Cc2cccc(cccc3)c23)o1)c4ccc(cc4Cl)Cl,0.0
27200,CO-ADD:0163287,6.95,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(cc2)ccc2F,0.0
27201,CO-ADD:0163248,6.95,n1c(O)cc(nc1N\N=C\c2ccccc2O)C,0.0
27202,CO-ADD:0158355,6.95,O=C(C(C=C1)=CC=C1/N=C/C(C=C2)=CC=C2Br)N(C3=CC=CC=C3)C4=CC=CC=C4,0.0
27203,CO-ADD:0155210,6.95,N1(C2=CC=CC=C2)N=C(C3=CC=CC=C3)CC1C(C=C4)=CC=C4OCC5=CC=CC=C5,0.0
27204,CO-ADD:0155362,6.95,O=C(C(C=C1)=CC=C1Cl)OC2=CC=C(C=C2)C3=NC(C=CC=C4)=C4N=C3,0.0
27205,CO-ADD:0155019,6.95,N#CC1=C([C-](C#N)C#N)NC(C2CC2)(O)C([N+]3=CC=C(C)C=C3)C1C(C=C4)=CC=C4OCC,0.0
27206,CO-ADD:0155035,6.95,N#CC1(C#N)[C@@]2([H])N([C@@H](C(C3=CC=CC=C3)=O)[C@@H]1C4=CC=C(F)C=C4)C(C=CC(Cl)=C5)=C5C=C2,0.0
27207,CO-ADD:0155724,6.95,[O-][N+](C1=CC(/C=N/C2=CC=C(C=C2)C(N3)=NC4=C3C=CC(N)=C4)=CC=C1)=O,0.0
27208,CO-ADD:0159881,6.95,O=C(C1=C2C=CC=C1NC(C)=O)N(C(C=C3)=CC=C3OC(C)=O)C2=O,0.0
27209,CO-ADD:0159741,6.95,S=C(O1)N(CN2CCCCC2)N=C1C(C=CC=C3)=C3OC,0.0
27210,CO-ADD:0160034,6.95,O=C(/C1=C/C(C=CC=C2)=C2OC)N(NC1=O)C3=CC=CC=C3,0.0
27211,CO-ADD:0160581,6.95,[O-][N+](C1=CC(/C=N/NC(C(C(N/N=C/C2=CC=C(C([N+]([O-])=O)=C2)OC(C(C(Cl)=C3)=CC=C3Cl)=O)=O)=CC4=CC=C(C=C4)[N+]([O-])=O)=O)=CC=C1OC(C(C(Cl)=C5)=CC=C5Cl)=O)=O,0.0
27212,CO-ADD:0159842,6.95,O=C(N/N=C/C1=CC=CC2=CC=CC=C12)CSC3=NC(C=CC=C4)=C4O3,0.0
27213,CO-ADD:0161342,6.95,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCc3ccccc3)c4cccs4,0.0
27214,CO-ADD:0158772,6.95,O=C(C(C)OC1=CC=C(C=C1)C2=CC=CC=C2)N/N=C/C3=CNC4=C3C=C(Br)C=C4,0.0
27215,CO-ADD:0155838,6.95,O=C(C1=CC=C(Br)C=C1)OC(C=C2)=CC=C2/C=N\NC(CNC(C(C3=CC=CC=C3)C4=CC=CC=C4)=O)=O,0.0
27216,CO-ADD:0158754,6.95,O=C(C1=CC=CC(OC)=C1)OC(C(OC)=C2)=CC=C2/C=N/NC(CNC(C3=CC(F)=CC=C3)=O)=O,0.0
27217,CO-ADD:0156273,6.95,ClC1=CC(Br)=CC(/C=N/C2=CC(Cl)=C(Cl)C=C2)=C1O,0.0
27218,CO-ADD:0155833,6.95,ClC1=CC(Br)=CC(/C=N/C2=CC=C3OC(C4=C(Cl)C=CC(Cl)=C4)=NC3=C2)=C1O,0.0
27219,CO-ADD:0155841,6.95,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCC(N/N=C\C3=CC=C(N(C)C)O3)=O,0.0
27220,CO-ADD:0154326,6.95,N#CC1=C(N2CCCC2)N=C(N3CCCC3)C(C#N)=C1,0.0
27221,CO-ADD:0154487,6.95,O=C1OC(C2=CC=CC=C2)=NC1=CC3=CC=CC(OC)=C3OC(C)=O,0.0
27222,CO-ADD:0161862,6.95,N1(CNc(ccc(c2Cl)C)c2)C(=O)\C(\SC1=O)=C/c3cccc(Cl)c3,0.0
27223,CO-ADD:0161948,6.95,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)N\N=C\CCCC)c1,0.0
27224,CO-ADD:0162105,6.95,N1(C2(CC3CC(C2)CC4(C3)N5C(=O)c(c6C5=O)ccc(C(=O)c(cc7)ccc7C(O)=O)c6)C4)C(=O)c(c8C1=O)ccc(C(=O)c(cc9)ccc9C(O)=O)c8,0.0
27225,CO-ADD:0162417,6.95,c12c(cccc1NC(=O)c3ccc(cc3)NC(CCCCC)=O)C(=O)c(c4C2=O)cccc4,0.0
27226,CO-ADD:0163135,6.94,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
27227,CO-ADD:0163846,6.94,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)N\N=C(/C)\c3cccc(I)c3,0.0
27228,CO-ADD:0162830,6.94,C(=O)(NCc(cc1)ccc1OC)Nc2cccc(c2)NC(=O)NCc(cc3)ccc3OC,0.0
27229,CO-ADD:0162643,6.94,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccc(C)o3,0.0
27230,CO-ADD:0163310,6.94,N(=C(/CC)\c1ccccc1)/NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
27231,CO-ADD:0162007,6.94,N1(c2cccc(C)c2)C(=O)c(c3C1=O)ccc(c(ccc(c4C5=O)C(N5c6cccc(C)c6)=O)c4)c3,0.0
27232,CO-ADD:0163608,6.94,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(COc2c(C)cccc2C)=O,0.0
27233,CO-ADD:0163521,6.94,c1(OC)c(OC)cc(cc1OC)\C=N\NC(=O)c(ccc(c23)OCCO2)c3,0.0
27234,CO-ADD:0163561,6.94,c1(c(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)ccc(O)c1OC)[N+](=O)[O-],0.0
27235,CO-ADD:0163049,6.94,c(CC(=O)N\N=C(/C)\CC(C)(C)c1ccc(C)o1)(c2c([nH]3)cccc2)c3,0.0
27236,CO-ADD:0163065,6.94,C(=O)(N\N=C\c(ccc1I)o1)c2ccco2,0.0
27237,CO-ADD:0163234,6.94,P(=O)(Oc1ccccc1)(Oc2ccccc2)N(C3)CC(C(=O)C3(C)C4)(C)CN4,0.0
27238,CO-ADD:0157580,6.94,[O-][N+](C1=C(NCCN(CC)CC)C=CC2=NSN=C12)=O,0.0
27239,CO-ADD:0157056,6.94,N#CC1=C(SCC(NC2=NC(C)=CS2)=O)N=C(C3=CC=C(Br)C=C3)C=C1C4=CC=CC=C4,0.0
27240,CO-ADD:0157297,6.94,O=C(N/N=C/C1=CC=C(OC)C=C1)C(C)OC(C=C2)=CC=C2Cl,0.0
27241,CO-ADD:0157868,6.94,[O-][N+](C1=CC(Cl)=CC(/C=N/C2=CC=C(C=C2)C3=NC(C=C4Cl)=C(C=C4)O3)=C1O)=O,0.0
27242,CO-ADD:0161120,6.94,c1(c2ccc(cc2)I)ccc(\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O)o1,0.0
27243,CO-ADD:0159843,6.94,O=C(N/N=C/C1=CC=C2C=CC=CC2=C1)CSC3=NC(C=CC=C4)=C4S3,0.0
27244,CO-ADD:0159870,6.94,O=C(N1CCOCC1)C2=NN(C(N=C3)=C2)C=C3Br,0.0
27245,CO-ADD:0160015,6.94,O=C(C1=CC=C(Cl)C=C1)NCC(N/N=C/C2=COC=C2)=O,0.0
27246,CO-ADD:0159740,6.94,S=C1OC(C(C=CC=C2)=C2OC)=NN1CNC3=C(C=CC=C3)C(OCC)=O,0.0
27247,CO-ADD:0161630,6.94,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2C)=O)c3ccccc3Cl,0.0
27248,CO-ADD:0161487,6.94,n12c(nnn1)c(N)nc(non3)c23,0.0
27249,CO-ADD:0161119,6.94,n(Cc1ccccc1)(c2c(c3\C=N\NC(=O)\C(=C/c(cc4)ccc4N(CC)CC)\NC(c5ccccc5)=O)cccc2)c3,0.0
27250,CO-ADD:0155955,6.94,O=C(C1)N(C2=CC=C(C)C=C2)CC1C(NC3=CC=CC=C3OCC)=O,0.0
27251,CO-ADD:0160145,6.94,O=C(COC(C=C1)=CC=C1OC)NC2=C(C)C=C(C)C=C2,0.0
27252,CO-ADD:0160114,6.94,O=C([C@@]1(C)C2)[C@]3(C)C[N@]2C([N@@](C3)C1)C(C4=C5C=CC=C4)=CN5CC6=CC=CC=C6,0.0
27253,CO-ADD:0155651,6.94,O=C(C1C(C2=C3C=CC=C2)C4=C(C=CC=C4)C3C51)N(C(C=C6)=CC=C6C(OCCCCC)=O)C5=O,0.0
27254,CO-ADD:0155812,6.94,O=C(C(C=C1)=CC=C1NC(C)=O)N(CC)C2=CC=CC=C2,0.0
27255,CO-ADD:0158728,6.94,O=S(C(C(S(=O)(CCC)=O)=C1C=C2)=C(C(OC)=O)N1C=C2C(C)=O)(CCC)=O,0.0
27256,CO-ADD:0155585,6.94,O=C(N(C1=C(Cl)C=C(Cl)C=C1)N=C/2C)C2=C\C(C=CC=C3)=C3Cl,0.0
27257,CO-ADD:0158733,6.94,O=C1N(/N=C/C2=CC=CO2)C(C3=CC=C4CCC5=C4C3=C1C=C5)=O,0.0
27258,CO-ADD:0155601,6.94,O=C(C1=CC(C(NC(C=CC=C2)=C2OC(C)C)=O)=CC=C1)NC(C=CC=C3)=C3OC(C)C,0.0
27259,CO-ADD:0162849,6.93,c1(SCC(c2ccccc2)=O)nc(C)cc(C)c1C#N,0.0
27260,CO-ADD:0162873,6.93,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(COc3cccc(C)c3)=O,0.0
27261,CO-ADD:0162801,6.93,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\C(C)C,0.0
27262,CO-ADD:0154449,6.93,[H]N(C(CC1=CC=CC=C1)=O)/N=C/C2=CNC3=C2C=CC=C3,0.0
27263,CO-ADD:0162536,6.93,C(=C\c1cc(Br)ccc1O)(/C2=O)\Sc(c23)cccc3,0.0
27264,CO-ADD:0154404,6.93,NC1(CC1C2=CC=CC(Cl)=C2)C(O)=O.Cl,0.0
27265,CO-ADD:0161709,6.93,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(c(O)ccc4[N+](=O)[O-])c4,0.0
27266,CO-ADD:0161945,6.93,c1(ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc(cccc2NC(c3ccccc3)=O)c2,0.0
27267,CO-ADD:0161665,6.93,c(c(F)c1F)(c(F)c(c1C(=O)Nc2cccc(cccc3)c23)F)C(=O)Nc4cccc(cccc5)c45,0.0
27268,CO-ADD:0161689,6.93,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3ccc(cc3Cl)Cl)=O,0.0
27269,CO-ADD:0161697,6.93,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(c3ccccc3)=O)OCC,0.0
27270,CO-ADD:0162001,6.93,c1(NCCC(O)=O)cc(Cl)ccc1Oc(cc2)ccc2Cl,0.0
27271,CO-ADD:0163242,6.93,n1c2c(sc1c3ccc(cc3)\N=C\c(cc(Br)cc4Br)c4O)ccc(C)c2,0.0
27272,CO-ADD:0163618,6.93,c1(\C=N\NC(COc2ccccc2OC)=O)cc(Br)cc(Br)c1OCC(O)=O,0.0
27273,CO-ADD:0163243,6.93,C1(C(c2ccc(c3ccc(cc3)Cl)o2)C4=C(C)N(N(c5ccccc5)C4=O)C)=C(C)N(N(c6ccccc6)C1=O)C,0.0
27274,CO-ADD:0163299,6.93,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c3cccc(cccc4)c34,0.0
27275,CO-ADD:0163307,6.93,c1(cc(O)ccc1O)\C(\C)=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
27276,CO-ADD:0163035,6.93,c1(ccc(c2c1O)cccn2)C(c3ccccc3)Nc4ccccn4,0.0
27277,CO-ADD:0157809,6.93,[O-][N+](C1=C(O)C(/C=N/C2=CC(C3=NC(C=CC=C4)=C4O3)=C(Cl)C=C2)=CC(C)=C1)=O,0.0
27278,CO-ADD:0157087,6.93,N#CC(C(N1)=S)=C(/C=C\C2=CC=CC=C2)C=C1C,0.0
27279,CO-ADD:0157906,6.93,[O-][N+](C1=CC(C)=CC(/C=N/C2=CC=C3C=CC=CC3=C2)=C1O)=O,0.0
27280,CO-ADD:0157766,6.93,O=C(NCC(N/N=C/C1=CC=C(OC)C=C1)=O)C(C=CC=C2)=C2Br,0.0
27281,CO-ADD:0157629,6.93,O=C(C1=CC(C)=CC=C1)NC2=CC=C(C=C2)C(NNC(C3=CC=CC=C3)=O)=O,0.0
27282,CO-ADD:0157017,6.93,NC1=C(C(NCC2=CC=CC=C2)=O)SC3=C1C(C(F)(F)F)=CC(C4=CC=CS4)=N3,0.0
27283,CO-ADD:0157632,6.93,O=C(OC(C=C1)=CC=C1OC(C2=C(Cl)SN=C2Cl)=O)C3=C(Cl)SN=C3Cl,0.0
27284,CO-ADD:0157573,6.93,[O-][N+](C(N=N1)=NN1CC(C2=CC=CC=C2)=O)=O,0.0
27285,CO-ADD:0160504,6.93,O=C1N(C2=CC(C(NC(C=C3)=CC=C3/C=C/C(C4=CC=CC=C4)=O)=O)=CC(C(NC(C=C5)=CC=C5/C=C/C(C6=CC=CC=C6)=O)=O)=C2)C(C7=C1C=CC=C7)=O,0.0
27286,CO-ADD:0160380,6.93,[O-][N+](C(C=C1)=CC=C1C(OC(C(OC)=C2)=CC=C2/C=N/NC(COC3=CC=C(C=C3)C(C)(C)CC(C)(C)C)=O)=O)=O,0.0
27287,CO-ADD:0160309,6.93,O=C1NC(C(Br)=CC(C)=C2)=C2/C1=N/NC(C3=CC=C(Br)C=C3)=O,0.0
27288,CO-ADD:0160341,6.93,NC1=C(C(N)=O)SC2=C1C(COC)=CC(C)=N2,0.0
27289,CO-ADD:0160541,6.93,OC(C1=C2C=CC=C1)=C(C3=CC=C(C4=CC=CC=C4)C=C3)C(C2=N5)=NC6=C5C=C(C=CC=C7)C7=C6,0.0
27290,CO-ADD:0160557,6.93,[O-][N+](C1=CC(/C=N/NC(CC(C2=CC=CC=C23)=CC=C3Br)=O)=C(OC)C=C1)=O,0.0
27291,CO-ADD:0160138,6.93,[O-][N+](C1=CC(/C=N/C2=CC=C(C=C2)C3=NC(C=C4)=C(C=C4C)S3)=C(O)C=C1)=O,0.0
27292,CO-ADD:0155988,6.93,O=C(OCC)C1=C(CN2CCN(C3=CC=CC=C3)CC2)N(C4=C1C=C(O)C(Br)=C4)C5CCCCC5,0.0
27293,CO-ADD:0160218,6.93,O=C1C2=C(C3=C1C=CC=C3)OC(C4=C5C=CC=C4)=C(C5=O)C2C6=CC=C(C)C=C6,0.0
27294,CO-ADD:0158536,6.93,FC(C(F)1F)(F)C(C(NCCCCCCNC(C(C(F)(F)C(F)(F)C(F)2F)(F)C(F)(F)C2(F)F)=O)=O)(F)C(F)(F)C(F)(F)C1(F)F,0.0
27295,CO-ADD:0155420,6.93,N#CC1=C(NC(C2=CC(Br)=CC=C2)=O)SC3=C1CCC3,0.0
27296,CO-ADD:0158567,6.93,O=C(C1=CC=CC=N1)N/N=C/C2=CC(Br)=C(Br)O2,0.0
27297,CO-ADD:0288847,6.93,C(C(NCC#C)=O)Oc1ccc(C)cc1,0.0
27298,CO-ADD:0289322,6.93,c1(C(=O)NCc(ccc(c23)OCO2)c3)nn(c(CCN4)c1C4)C.Cl,0.0
27299,CO-ADD:0289338,6.93,n1c(CCNC)noc1COc2ccccc2F.Cl,0.0
27300,CO-ADD:0291522,6.92,[N+](=O)([O-])c(ccc(c1NC(=O)c2ccco2)F)c1,0.0
27301,CO-ADD:0291907,6.92,[N+](=O)([O-])c(cc(cc1C(=O)N2CCC(CC2)C)C(OC)=O)c1,0.0
27302,CO-ADD:0288456,6.92,n1(CC2CC2)c(C)cnc1CC(CC3)CCN3,0.0
27303,CO-ADD:0244155,6.92,c1(NC(=O)c2ccc(cc2[N+](=O)[O-])F)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
27304,CO-ADD:0241528,6.92,C1(NS(=O)(=O)c2ccc(cc2)F)=C(C)N(N(c3ccccc3)C1=O)C,0.0
27305,CO-ADD:0241877,6.92,c12c(non1)nc(Nc(cc3)ccc3F)c(N\N=C\c(ccc4c(ccc(c5C(O)=O)Cl)c5)o4)n2,0.0
27306,CO-ADD:0245325,6.92,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\C=C\c2ccccc2)n3c(cccc3)c1S(CCC)(=O)=O,0.0
27307,CO-ADD:0244556,6.92,C(c1ccccc1)(=O)N\N=C\c(cc2)ccc2C#N,0.0
27308,CO-ADD:0245570,6.92,n1(Cc2ccccc2)c(N)cc(c3ccccc3)n1,0.0
27309,CO-ADD:0242413,6.92,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)N\N=C\C(CO)O,0.0
27310,CO-ADD:0241644,6.92,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c4cc(Cl)ccc4O)n1,0.0
27311,CO-ADD:0242881,6.92,c1(C(OCC)=O)c(C)c(c(C)[nH]1)C#C,0.0
27312,CO-ADD:0241818,6.92,c1(N(C)C)nc(N\N=C\c2ccco2)nc(NCc3ccccc3)n1.Cl,0.0
27313,CO-ADD:0245452,6.92,[C@@]1(C)(CC2)C(CC[C@@]13CO3)C(C24)CC=C(CC(O)CC5)[C@@]45C,0.0
27314,CO-ADD:0241688,6.92,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c3cccc(Cl)c3,0.0
27315,CO-ADD:0148649,6.92,c(OC)(cc1\C=C\C(c(cc2)c(F)cc2)=O)c(OC3)c(O3)c1OC,0.0
27316,CO-ADD:0149331,6.92,C1(CC(=O)Nc(c1cc2)cc2O)c(cc(OC)c3OC)cc3OC,0.0
27317,CO-ADD:0149078,6.92,C12=C(COC1=O)NC(=O)CC2c3ccc(cc3)OC,0.0
27318,CO-ADD:0149288,6.92,c(c(cc1)ccc1O)(nc2c(cc3)cc(OC)c3OC)on2,0.0
27320,CO-ADD:0148638,6.92,C(C(=O)C=C(CO)O1)(OC(N)=C2C#N)=C1C2c(c(OC)c3OC)cc(O4)c3OC4,0.0
27321,CO-ADD:0149688,6.92,CC(C(C(OCC)=O)=C1C2=CC=CC=C2)=NC(NCC3CCN(CC4=CC=CC=C4)CC3)=C1C#N,0.0
27322,CO-ADD:0241813,6.92,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c3cccc(Br)c3)n1,0.0
27323,CO-ADD:0245602,6.92,N1(c(cc2)ccc2[N+](=O)[O-])NC(=O)C(C3C1=O)C(CC34)C=C4,0.0
27324,CO-ADD:0245977,6.92,n1(c(C)nn2)c2c(nc(non3)c13)Nc4cccc(C)c4C,0.0
27325,CO-ADD:0245954,6.92,C(=C\c(ccc1c(c(C)ccc2[N+](=O)[O-])c2)o1)(/C3=O)\C(=O)OC(C)(C)O3,0.0
27326,CO-ADD:0242025,6.92,n1(nnc(C(=O)N\N=C(/C)\c(cc2)ccn2)c1CN(CC)CC)c3nonc3N,0.0
27327,CO-ADD:0246042,6.92,c1(OCC)c(OC)cc(cc1I)\C=N\NC(=O)c(cccn2)c2,0.0
27328,CO-ADD:0246066,6.92,c1(cn(cn1)CC(=O)C2CC2)[N+](=O)[O-],0.0
27329,CO-ADD:0245980,6.92,S(=O)(=O)(Nc(ccc(c12)cccc1)c2)C3=C(C)NC(NC3=O)=O,0.0
27330,CO-ADD:0245956,6.92,N(C(=O)\C(\S1)=C/c2ccccc2Cl)=C1N3CCCCC3,0.0
27331,CO-ADD:0241043,6.92,[N+](=O)([O-])c1c(NCCOc(cc2)ccc2C)ccc(c1)C(F)(F)F,0.0
27332,CO-ADD:0245005,6.92,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
27333,CO-ADD:0241130,6.91,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(C(C(CC3=O)c(c45)cccc4)C1=O)C35,0.0
27334,CO-ADD:0149360,6.91,c(OCO1)(c1c2OC)cc(\C=C(\c(ccc(OC)c3)c3)/C#N)c2,0.0
27335,CO-ADD:0148818,6.91,c(OC)(c1c2OCO1)cc(c(c3)c(c4cc(OC)c(OC)cc4)on3)c2OC,0.0
27336,CO-ADD:0148834,6.91,c(OC=C(c(cc(OC)cc1)c1)C2=O)(c23)cc(OC)c(OC)c3,0.0
27337,CO-ADD:0148823,6.91,Oc(c(c1c2ccccc2)c3cc(c(cc3O)C#N)C#N)n[nH]1,0.0
27338,CO-ADD:0148735,6.91,COc1c(c(c(c(C(c(c([nH]2)N3)c(n2)C)C(=C3C4)C(O4)=O)c1)OC)OC5)O5,0.0
27339,CO-ADD:0137669,6.91,c1(C(=O)NCc(cccn2)c2)nonc1N,0.0
27340,CO-ADD:0137654,6.91,c1(C(=O)NN=Cc(cc(OCO2)c2c3)c3Br)nonc1N,0.0
27341,CO-ADD:0137711,6.91,c(c(nc(NCc(ccc(OC)c1OC)c1)o2)n2)(c3N)non3,0.0
27342,CO-ADD:0246022,6.91,N1(c2cc(C)ccc2C)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
27343,CO-ADD:0241982,6.91,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C)c1CSc3nc(C)c(c(C)c3C#N)C\C=C\C,0.0
27344,CO-ADD:0241320,6.91,C(C#N)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
27345,CO-ADD:0241411,6.91,N1(c2ccc(cc2)F)C(c(cccc3[N+](=O)[O-])c3)Nc(c4C1=O)cccc4,0.0
27346,CO-ADD:0241358,6.91,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c2ccc(cc2)Oc(ccc(c3C#N)C#N)c3,0.0
27347,CO-ADD:0245291,6.91,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C/c(cc6)ccc6Br)n1,0.0
27348,CO-ADD:0242873,6.91,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)SCC(=O)Nc3cccc(F)c3,0.0
27349,CO-ADD:0242853,6.91,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c4scc(Br)c4,0.0
27350,CO-ADD:0241708,6.91,n1c(ccc(C#N)c1SCCOc2ccccc2)c3cccs3,0.0
27351,CO-ADD:0241617,6.91,c1(OC(N)=C(C2c(c(C)c([N+](=O)[O-])c(c3[N+](=O)[O-])C)c3C)C#N)c2c(n[nH]1)C,0.0
27352,CO-ADD:0241611,6.91,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(Br)s4,0.0
27353,CO-ADD:0245459,6.91,c1(nnc(CC)n1N)n2nc(cc2c3ccccc3)C.Cl.Cl,0.0
27354,CO-ADD:0148816,6.91,c1(c(ccc(OC)c2)c2)c(c(cc3c(OCCO3)c4OC)c4)[nH]nc1,0.0
27355,CO-ADD:0148965,6.91,c1(C(=O)c2ccc(cc2)OC)oc(c3c1N)cccc3,0.0
27356,CO-ADD:0148742,6.91,C(=O)(N(Nc(cc1)ccc1OC)C(O)(C)C2(C)C)O2,0.0
27357,CO-ADD:0148903,6.91,c1(c(C)nc2n1cccn2)c3csc(Nc(cc4)ccc4OCC)n3.Br,0.0
27359,CO-ADD:0149289,6.91,c(C(CC1)CCN1)(nc2c(cc3)cc(OC)c3OC)on2,0.0
27360,CO-ADD:0149060,6.91,c1(c2c([nH]c1)cccc2)C(=O)C(=O)NCc(cc3)ccn3,0.0
27361,CO-ADD:0148693,6.91,c(OC)(c(OC)c1\C=C\C(c(cc2)ccc2F)=O)c(OC3)c(O3)c1,0.0
27362,CO-ADD:0148938,6.91,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c(cc3OC)cc(c3OC)OC)c2C,0.0
27363,CO-ADD:0148962,6.91,c12c(cc(O)cc1O)OC(C(O)C2=O)c3ccc(c(O)c3)O,0.0
27364,CO-ADD:0148714,6.91,c1(n[nH]cc1c2ccc(cc2)Cl)c3ccc(cc3O)OCC,0.0
27365,CO-ADD:0245516,6.91,C(C#N)(C1c2sccc2C)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
27366,CO-ADD:0245810,6.91,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
27367,CO-ADD:0245963,6.91,N(Cc1c(cccc1F)F)(C2(CCCCC2)\C(\N3)=N\c4c(C)ccc(Cl)c4)C3=S,0.0
27368,CO-ADD:0246070,6.91,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)CSS(=O)(=O)[O-].[Na+],0.0
27369,CO-ADD:0241741,6.91,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccccc3)C2c4ccccc4F,0.0
27370,CO-ADD:0137708,6.91,c(c(nc(NCc(cccc1OC)c1)o2)n2)(c3N)non3,0.0
27371,CO-ADD:0137649,6.91,c1(nc(c2n1Cc([nH]nn3)n3)cccc2)c4nonc4N,0.0
27372,CO-ADD:0137652,6.91,c1(C(=O)NN=Cc(cc2)ccn2)nonc1N,0.0
27373,CO-ADD:0149058,6.9,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)cc(O5)c(OC5)c4)c2)cc1,0.0
27374,CO-ADD:0148876,6.9,C(=C\c(ccc(c12)OCCO1)c2)/C(=O)c3ccc(c(OC)c3)OC,0.0
27375,CO-ADD:0148849,6.9,n1nc([nH]n1)Cc(ccc(c2OC)OC)c2,0.0
27376,CO-ADD:0148945,6.9,c12c(cc(OCO3)c3c1)NC(=O)CC2c4ccccc4F,0.0
27377,CO-ADD:0148865,6.9,c1(n(CC=C)c2c(cccc2)n1)c3nonc3NC(C)=O,0.0
27378,CO-ADD:0148961,6.9,N1(CCc(c2c([nH]3)ccc(OC)c2)c3C)C(=O)C(C4C1=O)CCCC4,0.0
27379,CO-ADD:0137643,6.9,N1(Cc(cccn2)c2)C(C)(O)C(OC1=O)(C)C,0.0
27380,CO-ADD:0148891,6.9,n1(c(N)c(n2)c3ccc(c(OC)c3)O)c2cc(C)cc1,0.0
27381,CO-ADD:0149093,6.9,C12OC(C(O3)C(C(c4ccc(OC)cc4)=N3)C1=O)CO2,0.0
27382,CO-ADD:0149295,6.9,n(c(n1n2)nc(N)c(cc3OC)c1cc3OC)n2,0.0
27383,CO-ADD:0149088,6.9,c1(C(=O)c2ccc(OC)cc2OC)n3c(nc1N)CCC3,0.0
27384,CO-ADD:0149048,6.9,c(ccc1c2C(CC(c3ccc(OCO4)c4c3)=O)(O)C(N1Cc5ccc(F)cc5)=O)c2,0.0
27385,CO-ADD:0149080,6.9,c1(nnc(Nc(ccc(OCO2)c23)c3)o1)c4cn[nH]c4N,0.0
27386,CO-ADD:0148616,6.9,c(OC)(cc1C(=O)\C=C\c(c(OC)c2c3OCO2)cc3OC)ccc1,0.0
27388,CO-ADD:0148665,6.9,c12c(C(CC(=O)N1)c3cccc(OC)c3)snc2c4ccc(cc4)F,0.0
27389,CO-ADD:0149089,6.9,c(N)(c1C(c(cccc2)c2)=O)cc3c(OCCO3)c1,0.0
27390,CO-ADD:0149327,6.9,C(c(c1O2)cc(OC)cc1)(c(cc(OC)c(OC)c3OC)c3)C(=C2C4)C(O4)=O,0.0
27391,CO-ADD:0149307,6.9,c(c1)c(Cc(c2)ccc(F)c2)cc(c(nc3c(cc4)ccn4)no3)c1OC,0.0
27392,CO-ADD:0153077,6.9,CN1C=C(NC(C2=C(CCC(C)C)SC(N)=N2)=O)C=C1C(NC3=CN(C)C(C(OCC)=O)=C3)=O,0.0
27393,CO-ADD:0149610,6.9,O=C1C(C)CC2=C(N=C(CCCC3)C3=C2N)N1,0.0
27394,CO-ADD:0149614,6.9,O=C1C(C2=C(Cl)C=CC=C2Cl)CC3=C(N=C(CCCC4)C4=C3N)N1,0.0
27395,CO-ADD:0149792,6.9,NC1=C2C(CCN(CC#C)C2)=NC(C1=C3)=NC(N(C)C)=C3C#N,0.0
27396,CO-ADD:0149616,6.9,ClC1=C2C(NC(CC2C)=O)=C3C(N=C(CCCC4)C4=C3N)=N1,0.0
27397,CO-ADD:0153056,6.9,NC1=C(CN2N=NC(CCCN)=C2)C=NC(C)=N1.Cl,0.0
27398,CO-ADD:0148633,6.9,c1(\C=C\C(c2cscc2)=O)cc(OC)c(OC3)c(O3)c1OC,0.0
27399,CO-ADD:0149816,6.9,CC1=C(C(C2=CC=NC=C2)C(C#N)=C(N)O1)C(OCC)=O,0.0
27400,CO-ADD:0153088,6.9,O=C(NC1=CN(C)C(C(NC2=CN(C)C(C(NCCN3CCOCC3)=O)=C2)=O)=C1)C(C=C4)=CC=C4/C=C/C5=CC(F)=CC=C5.OC(C(F)(F)F)=O,0.0
27401,CO-ADD:0149805,6.9,O[C@@H](CC1)CC[C@H]1NS(C2=CC=C(C)C=C2)(=O)=O,0.0
27402,CO-ADD:0153099,6.9,CN1C=C(NC(C2=CC(NC(C)=N)=CN2C)=O)C=C1C(NC3=CN(C)C(C(NCCN4CCOCC4)=O)=C3)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
27403,CO-ADD:0153104,6.9,CN1C=C(NC(C2=CC=C(/C=C/C3=C(Cl)N=C(C=CC=C4)C4=C3)C=C2)=O)C=C1C(NC5=NC(C(NCCN6CCOCC6)=O)=C(CCC(C)C)S5)=O.OC(C(F)(F)F)=O,0.0
27404,CO-ADD:0153112,6.9,CN1C=C(NC(C2=CC(NC(C3=CC=CC=C3)=N)=CN2C)=O)C=C1C(NC4=CN(C)C(C(NCCCN(C)C)=O)=C4)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
27405,CO-ADD:0140040,6.9,ClC1=C(C2=C(N[C@H](CC)C3=CC=CC=C3)C=CC=C2)C(Cl)=CC(Br)=C1,0.0
27406,CO-ADD:0149822,6.9,NC1=C(C(C2=CC=CC=C2)=C(CN(CC#C)CC3)C3=N1)C#N,0.0
27407,CO-ADD:0153114,6.9,CN1C=C(NC(C2=CC(NC(C3=CC=CC(OC)=C3)=N)=CN2C)=O)C=C1C(NC4=CN(C)C(C(NCCCN(C)C)=O)=C4)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
27408,CO-ADD:0149765,6.9,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC(OC)=CC=C4)C#N,0.0
27409,CO-ADD:0241983,6.9,c12c(cc(OC)c(OC)c1)N=C(OC2=O)\C=C\c3ccccc3,0.0
27410,CO-ADD:0149766,6.9,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=C(C=CC=C4)OC)C#N,0.0
27411,CO-ADD:0149768,6.9,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC([N+]([O-])=O)=CC=C4)C#N,0.0
27412,CO-ADD:0149770,6.9,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC=C(O)C=C4)C#N,0.0
27413,CO-ADD:0149598,6.9,C#CCN(CC1=CC2=CC(OCC3=CC=C(C4=C3C=CC=N4)OC)=CC=C2N1C)C,0.0
27414,CO-ADD:0245988,6.9,n1c(N2CCC(CC2)C)c(Nc3cccc(C)c3C)nc(non4)c14,0.0
27415,CO-ADD:0241592,6.9,n(\N=C\c(cc1)ccc1OC(C2)CS2)(cnn3)c3,0.0
27416,CO-ADD:0246089,6.89,C(C)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc(cccc5C(F)(F)F)c5)C24,0.0
27417,CO-ADD:0242012,6.89,N1(NC(=O)c(cccc2N3C(=O)c(c4C3=O)ccc(c4)[N+](=O)[O-])c2)C(=O)c5c(cccc5)C1=O,0.0
27418,CO-ADD:0241038,6.89,[N+](=O)([O-])c1c(NCCOc2ccccc2C)ccc(c1)C(F)(F)F,0.0
27419,CO-ADD:0241726,6.89,c1(C#N)c(c2cccc(F)c2)cc(nc1SCC(OCc3ccccc3)=O)c4ccccc4,0.0
27420,CO-ADD:0140017,6.89,COC1=C(C2=C(Cl)C=C(Br)C=C2Cl)C(NC3=CC=CC=C3)=CC=C1,0.0
27421,CO-ADD:0149809,6.89,CC1=C(C(C2=CC=CC=C2)C(C#N)=C(N)O1)C(OCC)=O,0.0
27422,CO-ADD:0148585,6.89,O=C(C1=CC(OC)=CC=C1OC)/C=C/C2=CC=CC=C2O,0.0
27423,CO-ADD:0241281,6.89,c1(C(OC)=O)c(c2ccccc2)c([nH]c1C)C,0.0
27424,CO-ADD:0240981,6.89,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc2ccccn2)c3c(OC)ccc(OC)c3,0.0
27425,CO-ADD:0246060,6.89,O1C(=O)C=Cc(ccc(OCC(=O)Nc2ccccn2)c3)c13,0.0
27426,CO-ADD:0246043,6.89,n1ccccc1CCc2cccc(N)c2,0.0
27427,CO-ADD:0242136,6.89,n1c(SCC(=O)Nc2nnc(c(cc3)ccc3[N+](=O)[O-])s2)[nH]nc1c4ccccc4,0.0
27428,CO-ADD:0245865,6.89,C(=O)(Nc(cccc1C(=O)Nc2ccccc2C)c1)c(cc(C(C)(C)C)cc3C(C)(C)C)c3,0.0
27429,CO-ADD:0149500,6.89,c(c(C(=O)C1C(c(c2)cc(OC)c3c2OCO3)O1)c4Br)c(OC)c(OC)c4,0.0
27430,CO-ADD:0140034,6.89,O=[N+](C1=CC=CC=C1C2=CC=CC=C2N(CC3=CC=CC=C3)C4=CC=CC=C4)[O-],0.0
27431,CO-ADD:0147067,6.89,F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.C12=NC3=C(N=C1C=CC=C2)C4=C5C6=[N+]([Ru]78([N+]5=CC=C4)([N+]9=CC=CC=C9C%10=CC=CC=[N+]8%10)[N+]%11=CC=CC=C%11C%12=CC=CC=[N+]7%12)C=CC=C36,0.0
27432,CO-ADD:0241337,6.89,N(=C(N\N=C\c1ccccc1O)NN=C2Cc3ccccc3)C2=O,0.0
27433,CO-ADD:0242169,6.89,N1(c2ccc(cc2)Cl)C(c3ccc(cc3)Cl)Nc(c4C1=O)cccc4,0.0
27434,CO-ADD:0242153,6.89,[N+](=O)([O-])c(cccc1\C=C(\NC(c2ccccc2)=O)/C(=O)NC(CCSC)C(O)=O)c1,0.0
27435,CO-ADD:0241224,6.89,N(\C(=N/c1cccc(C)c1)\C2(N3c4ccc(cc4)Br)CCCCC2)=C3SC.I,0.0
27436,CO-ADD:0244657,6.89,S(c1ccccc1)(=O)(=O)N(c2ccccc2C)CC(=O)N\N=C\c3cc(Br)ccc3OC,0.0
27437,CO-ADD:0240975,6.89,S(c1ccccc1)(=O)(=O)N(CC(NCCc(cc2)ccc2Cl)=O)c3c(OC)ccc(OC)c3,0.0
27438,CO-ADD:0149216,6.89,C(=C\c(cc1OC)c(OC)cc1OC)/C(c(cc2)ccc2OC)=O,0.0
27439,CO-ADD:0149503,6.89,c(C(=O)\C=C\c(cc1OC)ccc1OC)(c2Br)cc(OC)c(OC)c2,0.0
27440,CO-ADD:0137844,6.89,O=C(N)C1=NOC(C1C)C(C=C2OC)=C(OC)C3=C2OCO3,0.0
27441,CO-ADD:0137897,6.89,COC1=C2C(OCO2)=C(OC)C=C1C(NC3=CC=C4C(OCCO4)=C3)=O,0.0
27442,CO-ADD:0147071,6.89,C[Pt]1(P(c2ccccc2)(c3ccccc3)c4ccccc4)([N+]5=C(C6=CC=CC=[N+]61)C=CC=C5)(C)C.F[P-](F)(F)(F)(F)F,0.0
27443,CO-ADD:0244302,6.89,c(C(c1ccccc1)=O)(c2N)sc3c2cc(c(C)n3)CC,0.0
27444,CO-ADD:0244650,6.89,S(c1ccccc1)(=O)(=O)N\N=C\c2cccc(Br)c2,0.0
27445,CO-ADD:0244280,6.89,S(=O)(=O)(c1ccc(cc1)C)N\N=C\c(cc2)ccc2OC(=O)c3cccc(C)c3,0.0
27446,CO-ADD:0241031,6.89,C(C#N)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
27447,CO-ADD:0244638,6.89,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])O)c1)c(ccc(c2[N+](=O)[O-])O)c2,0.0
27448,CO-ADD:0244261,6.89,C(=O)(c(cc1)ccc1N(C)C)Oc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)OC,0.0
27449,CO-ADD:0149435,6.89,c1c(OC)c(OCCO2)c2cc1C(Nc(cc(OCC3)c(O3)c4)c4)=O,0.0
27450,CO-ADD:0149483,6.89,c(c1cc(OC)c(OC)c(OC)c1)(c(NC(=O)C)no2)c2c3ccc(OC)cc3,0.0
27451,CO-ADD:0137824,6.89,COC1=CC=C(OC2=NON=C2NCC3=CC=NC=C3)C=C1,0.0
27452,CO-ADD:0137864,6.89,O=C(C1)NC(N2C3=NC4=C(N3)C=CC=C4)=C(C(C)=N2)C1C(C=CC=C5OC)=C5OC,0.0
27453,CO-ADD:0137813,6.89,COC1=CC=C(C2=CC=CC3=CC(OCO4)=C4C(OC)=C32)C=C1,0.0
27454,CO-ADD:0137831,6.88,O=S(C1=CSC(C(C2=CC=C(F)C=C2)C3)=C1NC3=O)(C(C=C4)=CC=C4Cl)=O,0.0
27455,CO-ADD:0149743,6.88,NC1=C(C(C2=CC=CC=C2)=C(C(N(CC#CC)CC3=CC=CC=C3)=N1)C#N)C#N,0.0
27456,CO-ADD:0241787,6.88,C(C#N)(C1c(cc2)ccc2C(F)(F)F)=C(N)OC(CCCC3=O)=C13,0.0
27457,CO-ADD:0244857,6.88,C(N(CC)C(=O)N1CC)(C1N2)N=C3N2C(=O)\C(=C\c(cccc4)c4)\S3,0.0
27458,CO-ADD:0242785,6.88,C(COc(cc1)ccc1I)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
27459,CO-ADD:0241223,6.88,N(\C(=N/c1cccc(C)c1)\C2(N3c4ccccc4Cl)CCCC2)=C3SC.I,0.0
27460,CO-ADD:0241184,6.88,n1c2c(oc1c3ccc(cc3)NC(=O)Cc4cccs4)cccc2,0.0
27461,CO-ADD:0244858,6.88,C(N(C)C(=O)N1C)(C1N2)N=C3N2C(=O)\C(=C\c(c(F)ccc4)c4)\S3,0.0
27462,CO-ADD:0137855,6.88,COC1=C(OC)C(CC2ON=C(C3=CC=C(OC)C=C3)C2)=CC4=C1OCO4,0.0
27463,CO-ADD:0149395,6.88,c(c(\C=C\C(Nc(cc(OC)c1c2OCO1)c2)=O)c3)c(OC)cc3,0.0
27464,CO-ADD:0148934,6.88,c1(nc(c2n1Cc(cc3)ccc3C#N)cccc2)c4nonc4NC(C)=O,0.0
27465,CO-ADD:0137898,6.88,COC1=C(OCO2)C2=C(OC)C=C1CC(O)CO,0.0
27466,CO-ADD:0149438,6.88,N(C(=O)C1)c(n(Cc2occc2)n3)c(c3)C1c(cc(OC)c4O)cc4OC,0.0
27467,CO-ADD:0149254,6.88,c1(C(c(cc2OC)ccc2OC)=O)c(N)c(c(c(cc3)ccn3)c4c(CCCC4)n5)c5s1,0.0
27468,CO-ADD:0149663,6.88,NC(C(C#N)=C1C2=CC=CC=C2)=NC(NCCC3CCN(CC4=CC=CC=C4)CC3)=C1C#N,0.0
27469,CO-ADD:0149668,6.88,C#CCN(C(C(C#N)=C1C2=CC=CC=C2)=NC(OC)=C1C#N)C,0.0
27470,CO-ADD:0241839,6.88,c1(Nc(cccc2C(F)(F)F)c2)nc(N\N=C\c3ccccc3)nc(NC)n1.Cl,0.0
27471,CO-ADD:0241777,6.88,C1(C#N)(C#N)[C@H](c(ccs2)c2)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5ccc(cc5)OC,0.0
27472,CO-ADD:0241841,6.88,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c3ccc(cc3O)O)n1,0.0
27473,CO-ADD:0244231,6.88,c1(\C=N\NC(=O)c2cccc(Cl)c2)sccc1C,0.0
27474,CO-ADD:0244165,6.88,N(=C\c1cccc(O)c1)/NC(CCc2ccccc2)=O,0.0
27475,CO-ADD:0242738,6.88,S(=O)(=O)(c1ccc(cc1)C)N2CCCC2C(O)=O,0.0
27476,CO-ADD:0246040,6.88,C(=C/c(cc1I)cc(c1OCc2ccccc2)I)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
27477,CO-ADD:0241993,6.88,c(CC(NC(=O)Oc1ccccc1)C(=O)Nc(cc2)ccc2C)(c3c([nH]4)cccc3)c4,0.0
27478,CO-ADD:0245993,6.88,n1(N)c(C)nnc1N\N=C\c2cccs2.Cl.Cl,0.0
27479,CO-ADD:0246099,6.88,c(Nc1ccccc1)(nc(N\N=C\C(CO)O)nc2Nc3ccccc3)n2,0.0
27480,CO-ADD:0246026,6.88,N1(C2c3ccccc3)C(S\C(=C\c(cc4Br)cc(c4O)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
27481,CO-ADD:0245939,6.88,c1(ccccc1OCc2ccccc2)C(=O)N\N=C\c(cc3)ccc3N(CC)CC,0.0
27482,CO-ADD:0137838,6.88,NCC(C1)=NOC1CC2=C(OC)C(OCO3)=C3C(OC)=C2.Cl.Cl,0.0
27483,CO-ADD:0137870,6.88,O=C1NC(N2C3=NC4=C(N3)C=CC=C4)=C(C(C)=N2)C(C5=CC=C(O)C=C5)C1,0.0
27484,CO-ADD:0137842,6.88,N#CCC(O)CC1=C(OC)C(OCO2)=C2C(OC)=C1,0.0
27485,CO-ADD:0148691,6.88,C(/c1cc(OC2)c(O2)c(OC)c1OC)=C\C(c3c(O)cc(OC)cc3)=O,0.0
27486,CO-ADD:0149022,6.88,n1c2c([nH]c1c3ccccc3)ccc(OC)c2.Cl,0.0
27487,CO-ADD:0149872,6.88,C#CCN(CC1=CC2=CC(OCC3=CC=CC=C3)=CC=C2N1C)C.O=C(O)C(O)=O,0.0
27488,CO-ADD:0149858,6.88,N=C(C(C1C2=C(C=CC=C2)OC)(Br)C#N)OC3=C1C(C=CC=C4)=C4C=C3,0.0
27489,CO-ADD:0241539,6.88,[N+](=O)([O-])c(cc1)cc(c1C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2C(N)=O)Cl,0.0
27490,CO-ADD:0244210,6.88,N(/c(cc1)ccc1F)=C\c(ccc(c2OC)O)c2,0.0
27491,CO-ADD:0242771,6.88,C(C#N)(C(c(cccn1)c1)C2=C(N3c4cccc(C)c4)CCCC2=O)=C3N,0.0
27492,CO-ADD:0241788,6.88,C(C#N)(C1c(cc2)ccc2C(F)(F)F)=C(N)SC(N)=C1C#N,0.0
27493,CO-ADD:0242728,6.88,C(C(=O)c1ccc(cc1)OC)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCCO)=O,0.0
27494,CO-ADD:0244554,6.88,C(NCCCCCCCCCCCC)(=O)c1cccc(Br)c1,0.0
27495,CO-ADD:0241310,6.88,N1(c(cc(cc2C(O)=O)C(O)=O)c2)C(=O)c(c(c3C(=O)c(cc4)ccc4C(O)=O)C1=O)cc(c3C(N5c(cc(cc6C(O)=O)C(O)=O)c6)=O)C5=O,0.0
27496,CO-ADD:0241540,6.88,C(=O)(c1ccc(cc1)OC)N\N=C(/C)\CC(=O)NCc2ccccc2OC,0.0
27497,CO-ADD:0241196,6.88,C(=O)(c1ccccn1)N\N=C(/C)\c2ccc(cc2O)O,0.0
27498,CO-ADD:0245611,6.88,N(CN(CC1)CCO1)(N=C(N2c3ccccc3)c4ccccc4Cl)C2=S,0.0
27499,CO-ADD:0245902,6.88,C(=C\C=C/c1ccccc1)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3OC(COc4ccc(cc4Cl)Cl)=O,0.0
27500,CO-ADD:0241640,6.88,N1C(=O)C(SC1=N)CC(=O)Nc(cc2)ccc2Br,0.0
27501,CO-ADD:0149062,6.88,c1(c2c([nH]c1)cccc2)C(=O)C(=O)Nc(cc3)ccc3C(C)=O,0.0
27502,CO-ADD:0137905,6.88,COC1=C(/C=C/C(C2=CC=C(OC)C(OC)=C2)=O)C=C(OC)C3=C1OCO3,0.0
27503,CO-ADD:0149011,6.87,c(cc(c1c2)nc(n1Cc3c(Br)cc(OCO4)c4c3)c(n5)c(N)no5)c2,0.0
27504,CO-ADD:0149035,6.87,c1(c2c([nH]c1C)cccc2)C(=O)C(=O)Nc(cc3)ccc3Cl,0.0
27505,CO-ADD:0148707,6.87,c1(C(c(cc2OC)ccc2OC)=O)c(N)c(cc3c(CCCC3)n4)c4s1,0.0
27506,CO-ADD:0148659,6.87,c1c(Cl)cc(n(c(c2C3c(cc4Cl)ccc4)NC(=O)C3)cn2)cc1,0.0
27507,CO-ADD:0149865,6.87,N=C(C(C1C2=CC=C(C(OC)=C2)OC)(Br)C#N)OC3=C1C(C=CC=C4)=C4C=C3,0.0
27508,CO-ADD:0312248,6.87,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cc4OC)cc(c4OC)OC,0.0
27509,CO-ADD:0310998,6.87,c1(c(c(COC)cc(n2)C)c2s3)c3c(c4ccc(cc4)Br)nc(c(c56)c(COC)cc(C)n5)c1s6,0.0
27510,CO-ADD:0306925,6.87,c12c(CCNC1c3ccc(c(OC)c3)O)cc(c(OC)c2)OC,0.0
27511,CO-ADD:0306797,6.87,C1(C(OC)=O)=C(C)NC(=C2C1c(ccc(c3[N+](=O)[O-])Cl)c3)CCCC2=O,0.0
27512,CO-ADD:0305475,6.87,c1(C(=O)NCc(cc2)ccc2OC)n[nH]cn1,0.0
27513,CO-ADD:0306951,6.87,C1(=O)c2c(SN1c3ccccc3)cc(cc2N)[N+](=O)[O-],0.0
27514,CO-ADD:0306876,6.87,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c(cc(OCC)c(c2[N+](=O)[O-])OC(=O)N(CC3)CCO3)c2,0.0
27515,CO-ADD:0307367,6.87,n1(c2ccc(cc2F)F)nnnc1SCC(=O)N(CC3)CCO3,0.0
27516,CO-ADD:0307640,6.87,N1(C(C)=O)c2c(cccc2)CCc(ccc(c3)NC(=O)c4cc(ccc4Cl)SC)c13,0.0
27517,CO-ADD:0310778,6.87,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4ccccc4OC(C)C,0.0
27518,CO-ADD:0311449,6.87,N1(CC)\C(=N/CC)\SC(C(=O)Nc2ccccc2OC)CC1=O,0.0
27519,CO-ADD:0307492,6.87,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cc(OC)c(cc4OC)Br,0.0
27520,CO-ADD:0311221,6.87,N1(CC(O)CN(c2c(Cl)ccc(Cl)c2)S(=O)(=O)c3ccc(cc3)C)C(=O)C(NC1=O)(C)C,0.0
27521,CO-ADD:0312277,6.87,n1(c2ccccc2)nnnc1SCC(=O)Nc(cc3)ccc3OCCCC,0.0
27522,CO-ADD:0307209,6.87,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c3ccc(cc3F)\C(\C)=N\Nc(cc4)ccc4F,0.0
27523,CO-ADD:0320643,6.87,N1(Cc2ccccc2)\C(=N/c(ccc(c3Cl)Cl)c3)\SC(C(=O)Nc(cc4)ccc4OC(Cl)(F)F)CC1=O,0.0
27524,CO-ADD:0319868,6.87,C(C(C)=O)(C1c(cc2)ccc2C(C)C)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
27525,CO-ADD:0304772,6.87,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(ccc(c34)OCO3)c4)n2)Cc5ccc(cc5Cl)F,0.0
27526,CO-ADD:0304765,6.87,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3C(OC)=O)n2)Cc4ccc(cc4Cl)Cl,0.0
27527,CO-ADD:0304665,6.87,N1(c2ccc(c(Cl)c2)C)CC(CC1=O)C(=O)Nc3ccccc3OCC,0.0
27528,CO-ADD:0305065,6.87,C(c1ccccc1OC)(Nc(cccc2)c2C3(c4ccccc4)c5ccccc5)O3,0.0
27529,CO-ADD:0304586,6.87,[N+](=O)([O-])c(cc1)ccc1C(=O)c2cccs2,0.0
27530,CO-ADD:0301669,6.87,C1(c2ccccc2[N+](=O)[O-])=N\C(\C(=O)O1)=C/c3ccccc3,0.0
27531,CO-ADD:0301914,6.87,c1(NC(Cc(cc2)ccc2OC)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3cccc(OC)c3,0.0
27532,CO-ADD:0302402,6.87,S1(=O)(=O)c2c(c(ccc(c3)NC(=O)c4cccs4)c13)ccc(c2)NC(=O)c5cccs5,0.0
27533,CO-ADD:0301483,6.87,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3ccc(c(Cl)c3)Cl,0.0
27534,CO-ADD:0302172,6.87,C1(=S)NC2(CCCC2)Cc(cc(OC)c(OC)c3)c13,0.0
27535,CO-ADD:0303569,6.87,c1(NC2CCCCC2)nc(Cl)nc(Cl)n1,0.0
27536,CO-ADD:0301988,6.87,c1(c2ccccc2)cc(c(cc3OC)cc(c3O)OC)nc(ccc4c5cccn4)c15,0.0
27537,CO-ADD:0303624,6.87,N1(c2cccc(Cl)c2)C(=O)\C(=C\Nc3ccccc3Cl)\C(NC1=O)=O,0.0
27538,CO-ADD:0303194,6.87,C(=C\c(cc1)cc(c1Oc2ccc(cc2C#N)[N+](=O)[O-])OC)(/C3=O)\Sc(c34)cccc4,0.0
27539,CO-ADD:0301821,6.87,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c3cccc(OC)c3OC,0.0
27540,CO-ADD:0304174,6.87,N1(C(CCSC)C(=O)Nc(ccc(c2Cl)Cl)c2)C(=O)C(C(C3c4c5cccc4)C1=O)C5c(c36)cccc6,0.0
27541,CO-ADD:0302936,6.87,C1(C(OCC)=O)=NN(C(c2ccc(c(OC)c2)OC)N1c(cc3)ccc3N(CC)CC)c4ccccc4,0.0
27542,CO-ADD:0311589,6.87,c(C=O)(c(cccc1)c1n2CCOc3ccccc3Cl)c2,0.0
27543,CO-ADD:0311864,6.87,N1(CCC2)N2C1c3ccc(cc3)Br,0.0
27544,CO-ADD:0311280,6.87,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)C)CC(O)CN(CCCC)CCCC,0.0
27545,CO-ADD:0306254,6.87,C1(C(=O)OCc2ccccc2)=C(C)NC(=C3C1c4cccc(cccc5)c45)CCCC3=O,0.0
27546,CO-ADD:0306279,6.87,N12N(C1c(cccc3[N+](=O)[O-])c3)CCCC2,0.0
27547,CO-ADD:0305500,6.86,c1(C(OCC)=O)cc(c(C)o1)CN.Cl,0.0
27548,CO-ADD:0307421,6.86,N(CC1N2CCc(cccc3)c13)(C2c4ccccc4)S(=O)(=O)c5ccc(cc5)C,0.0
27549,CO-ADD:0306853,6.86,c1(noc(c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2)n1)c3nonc3N,0.0
27550,CO-ADD:0306829,6.86,C(C(=O)OCc(cc1)ccc1OC)(=C(C)NC(=C23)CCCC2=O)C3c4cccs4,0.0
27551,CO-ADD:0307007,6.86,n1(CC(=O)N(Cc2ccccc2)C3(CCCCC3)C(=O)Nc4c(C)cccc4C)nnnc1N,0.0
27552,CO-ADD:0312313,6.86,C(=O)(c1ccc(cc1)Oc2ccccc2)NCc(cc3)ccc3C(C)(C)C,0.0
27553,CO-ADD:0310939,6.86,C(C(OC)=O)(C(F)(F)F)(Nc1scc(C2CC2)n1)NC(c3ccccc3)=O,0.0
27554,CO-ADD:0307013,6.86,N1(c2ccc(cc2)CC)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
27555,CO-ADD:0310980,6.86,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccco1)Nc2sc3c(CCC(C(C)(C)C)C3)c2C#N,0.0
27556,CO-ADD:0310975,6.86,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccco1)Nc2sc(c3c2C#N)CC(CC3)C,0.0
27557,CO-ADD:0306978,6.86,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c(cc4)cc(c4OC(=O)N(CC5)CCO5)OC,0.0
27558,CO-ADD:0312262,6.86,C1(C(OCCCCCCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OC(F)(F)F,0.0
27559,CO-ADD:0312084,6.86,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C/c(cc3)ccc3F,0.0
27560,CO-ADD:0320165,6.86,C12=C(CCCC1=O)Nc(c3C2c(cc4OC)cc(c4OC)OC)ccc5c3ccc(n5)C,0.0
27561,CO-ADD:0320405,6.86,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)NCCc(ccc(c3OCC)OCC)c3,0.0
27562,CO-ADD:0305353,6.86,C(=C/c(cc1)ccc1OC)(/C(N)=O)\NC(=O)c2ccc(Br)o2,0.0
27563,CO-ADD:0305121,6.86,N1(c2ccc(cc2)C)C(=O)\C(\SC1=S)=C/c(ccc(c34)c(c5n3C)cccc5)c4,0.0
27564,CO-ADD:0305129,6.86,C1(OC(C)=O)(C#CI)C(C2)CC(CC2CC13)C3,0.0
27565,CO-ADD:0300291,6.86,N1(c2ccccc2OC)C(=O)NC(\C(=C/c(ccs3)c3)\C1=O)=O,0.0
27566,CO-ADD:0300517,6.86,N1(CN(CC2)CCO2)c(cccc3)c3N(c4ccccc4)C1=S,0.0
27567,CO-ADD:0300332,6.86,N1(c2ccc(cc2)OCC)CC(CC1=O)C(=O)Nc3ccccc3OCC,0.0
27568,CO-ADD:0300877,6.86,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc(cc4)ccc4C(C)C,0.0
27569,CO-ADD:0304194,6.86,N1(c(cc2)ccc2C(C)(C)C)CC(CC1=O)C(NCCc(ccc(c3OC)OC)c3)=O,0.0
27570,CO-ADD:0303941,6.86,C1(C(OC)=O)=C(C)NC(=O)CC1c(cc2OCC)cc(c2OC)Br,0.0
27571,CO-ADD:0302644,6.86,c1(c2c(c34)c(ccc2)ccc3)c4nc(ccc5C(O)=O)c(c5)n1,0.0
27572,CO-ADD:0302637,6.86,c12c(ccc(cccc3)c13)C(CC(=O)N2)c4cccc(C)c4,0.0
27573,CO-ADD:0303841,6.86,C(=O)(Nc(cc1)ccc1OCC(C)C)C(=O)NC(CC2)CCC2C(C)(C)CC,0.0
27574,CO-ADD:0304069,6.86,N12C(S\C(=C/c(cccn3)c3)\C1=O)=NCN(c4ccccc4)C2,0.0
27575,CO-ADD:0301467,6.86,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3ccccc3OCC,0.0
27576,CO-ADD:0304341,6.86,c1(C(OCC)=O)[nH]c(c(C(CCCCCCCCCCCCCCCCC)=O)c1C)CCl,0.0
27577,CO-ADD:0304387,6.86,C(C(C)=O)(C1c2ccc(cc2OC)OC)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
27578,CO-ADD:0304379,6.86,C1(=O)Oc(c(ccc2S(N)(=O)=O)N1C)c2,0.0
27580,CO-ADD:0301860,6.86,c12c(cc(Br)c(cccc3)c13)C(CC(=O)N2)c(cc4)ccc4c5ccccc5,0.0
27581,CO-ADD:0311679,6.86,[nH]1c2c(nc1SCC(=O)NC3CCCC3)cccn2,0.0
27582,CO-ADD:0306772,6.86,C1(CCC(NC1c2cccs2)=O)[N+](=O)[O-],0.0
27583,CO-ADD:0306742,6.86,n1nc(c(ccc2C(F)(F)F)n1O)c2,0.0
27584,CO-ADD:0311686,6.86,n12c(ccc(CC)c1)cc(c3ccccc3)c2C=O,0.0
27585,CO-ADD:0311294,6.86,c1(c(Br)cc(c(cccn2)c12)Cl)OC(=O)N(CC3)CCO3,0.0
27586,CO-ADD:0305431,6.86,N1=C(N\N=C\c(cc2)cc(c2OC(=O)c3ccc(cc3)C)OCC)SC(C(C)C)C1=O,0.0
27587,CO-ADD:0311763,6.86,C1(=O)C(c2ccccc2)(c3ccccc3)OC(=NN1c4ccc(cc4)F)C(CCCC)(CCCC)O,0.0
27588,CO-ADD:0312000,6.86,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)OCC)c24,0.0
27589,CO-ADD:0311618,6.86,C(=N/c(cc1)ccc1OC(Cl)(F)F)(/SC(C(=O)Nc(ccc(c2Cl)Cl)c2)CC3=O)\N3CC,0.0
27590,CO-ADD:0311642,6.86,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)C(O)(c2ccc(cc2)Cl)c3ccc(cc3)Cl,0.0
27591,CO-ADD:0311706,6.85,N(CC1)(CCN1CNC(=O)c(cccn2)c2)c3ccc(cc3)F,0.0
27592,CO-ADD:0305667,6.85,C(=C(C)NC(=C1C#N)SCC(OCC)=O)(C(=O)Nc2ccccc2C)C1c3ccccc3,0.0
27593,CO-ADD:0311731,6.85,C12(Nc(cccc3)c3C(=O)N1c4ccc(cc4)Cl)c5c(N(CC(=O)N(CC)CC)C2=O)cccc5,0.0
27594,CO-ADD:0307140,6.85,C(OC)(F)(C(F)(F)F)C(=O)Nc(cccc1C(=O)Nc2cccc(Cl)c2)c1,0.0
27595,CO-ADD:0306056,6.85,N(c1cccc(cccc2)c12)(C(=O)C(C34)C(c5ccccc5O)NC3(C)C(O)=O)C4=O,0.0
27596,CO-ADD:0312165,6.85,n1c2c(sc1c3ccc(cc3)NC(CSc4sc(c5n4)cccc5)=O)ccc(C)c2,0.0
27597,CO-ADD:0305640,6.85,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3C)C2c4ccccc4OCC,0.0
27598,CO-ADD:0307347,6.85,C(=S)(Nc(cc1)ccc1OC)N(Cc(cc2)ccc2N(C)C)Cc3ccco3,0.0
27599,CO-ADD:0300992,6.85,C1(=O)c2c(CN1CCNC(=O)Nc3cccc(Cl)c3)cccc2,0.0
27600,CO-ADD:0300512,6.85,c1(cc(Cl)cc(Cl)c1O)C2N(CCCN2Cc3ccccc3)Cc4ccccc4,0.0
27601,CO-ADD:0300481,6.85,N1(c2ccc(c(Cl)c2)C)C(C)(CC)Nc(c3C1=O)cccc3,0.0
27602,CO-ADD:0301145,6.85,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc5)ccc5C(C)C)cccc4,0.0
27604,CO-ADD:0300950,6.85,N1(c(cc2)ccc2C(C)(C)C)CC(CC1=O)C(=O)Nc3cccc(C)c3C,0.0
27605,CO-ADD:0304766,6.85,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc3ccccc3Cl)n2)Cc(cc4)ccc4Cl,0.0
27606,CO-ADD:0301142,6.85,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(c(F)c5)F)cccc4,0.0
27607,CO-ADD:0300742,6.85,c1(no[n+]2[O-])c2c(nnc1c(cc3)ccc3[N+](=O)[O-])c(cc4)ccc4[N+](=O)[O-],0.0
27608,CO-ADD:0303859,6.85,N1(CN(CC2C)CC(O2)C)C(=S)OC(c3ccccc3C)=N1,0.0
27609,CO-ADD:0301363,6.85,C(=C/c(cc1OC)cc(c1O)Cl)(/C(=O)N2CC)\C(=O)N(C2=S)CC,0.0
27610,CO-ADD:0301557,6.85,c(C(=O)Nc(cc1)ccc1S(N)(=O)=O)(c2N)sc3c2cc(c4n3)CCC4,0.0
27611,CO-ADD:0301550,6.85,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1OCC)Nc2sc(c3c2C(N)=O)CCCC3,0.0
27612,CO-ADD:0302074,6.85,c(cc(cc1C(O)=O)NC(COc2ccccc2Cl)=O)(c1)C(O)=O,0.0
27613,CO-ADD:0303905,6.85,C(C(OC)=O)(C1c2ccc(cc2)OC(F)(F)F)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
27614,CO-ADD:0303155,6.85,C(=C/c(cc1)ccc1OCCOc(cc2)ccc2[N+](=O)[O-])(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
27615,CO-ADD:0301606,6.85,c1(C(=O)N(CC2)CCN2c3ccccc3)c(cc(OC)cc4)c4n(c5ccccc5)c1C,0.0
27616,CO-ADD:0303263,6.85,c12c(n(c(NCCOc3ccccc3CCC)n1)C)C(N(C)C(=O)N2C)=O,0.0
27617,CO-ADD:0301499,6.85,c1(nocn1)\C(\N)=N\OC(C)=O,0.0
27618,CO-ADD:0304368,6.85,C(=O)(c(cc1)ccc1C(F)(F)F)N(CC2)CCN2C.Cl,0.0
27619,CO-ADD:0303717,6.85,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2,0.0
27620,CO-ADD:0311277,6.85,S(c1ccccc1)(=O)(=O)N(CC(O)CN(CC(C)C)CC(C)C)c2cccc(C)c2,0.0
27621,CO-ADD:0305743,6.85,C(C(OC)=O)(C1c2ccc(cc2)CC)=CN(C=C1C(OC)=O)C(C)c3ccccc3,0.0
27622,CO-ADD:0306940,6.85,c1(OC(N)=C(C2c(cc(OCC)c(c3[N+](=O)[O-])OC(=O)N(CC4)CCO4)c3)C#N)c2c(n[nH]1)CCC,0.0
27623,CO-ADD:0310736,6.85,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4cccc(Br)c4,0.0
27624,CO-ADD:0310802,6.85,c1(C2c3cc4c(cc3Br)OCO4)c([nH]nc1c(cc5OC)cc(c5OC)OC)OC(N)=C2C#N,0.0
27625,CO-ADD:0307079,6.85,C(=O)(N(CC1)CCN1c2ccc(cc2F)C(C)=O)c3ccccc3Br,0.0
27626,CO-ADD:0312552,6.85,C1([C@H]([C@H](C2CN3c4ccccc4)C3=O)C(O)=O)C(=C2)SC=C1,0.0
27627,CO-ADD:0305496,6.85,c1(ccc(CN)o1)C(OCC)=O.Cl,0.0
27628,CO-ADD:0305511,6.85,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)Cl,0.0
27629,CO-ADD:0312570,6.85,C1CC[C@]([C@]2(C3C4=O)O[C@H](C=C2)[C@H]3C(=O)O)([H])N14,0.0
27630,CO-ADD:0311288,6.85,C(=O)(Oc1cccc(C)c1)N(CC2)CCO2,0.0
27631,CO-ADD:0307596,6.85,C(C(OCC)=O)(NC(CCl)=O)(C(F)(F)F)Nc1sc(c2c1C(N)=O)CCCC2,0.0
27632,CO-ADD:0307169,6.84,c1(cn(n2)c3ccc(cc3)OC(F)(F)F)c2cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
27633,CO-ADD:0306293,6.84,N1(CC(OC)=O)C(=O)c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])S1=O,0.0
27634,CO-ADD:0307533,6.84,N1(CCC(O)=O)C(=O)c2c(cc(cc2)F)C1=O,0.0
27635,CO-ADD:0311433,6.84,c12c(cccn1)cccc2SCC(=O)OCC(=O)c3ccc(cc3)F,0.0
27636,CO-ADD:0307478,6.84,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c3cccc(Cl)c3,0.0
27637,CO-ADD:0312451,6.84,c1(Nc(cc2)ccc2OC(F)(F)F)nc(NC)nc(NCc3ccccc3)n1,0.0
27638,CO-ADD:0300986,6.84,c1(cc(Cl)ccc1N(CC2)CCN2C(=O)c(cc3OC)cc(c3OC)OC)[N+](=O)[O-],0.0
27639,CO-ADD:0300874,6.84,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc(ccc(c4OC)OC)c4,0.0
27640,CO-ADD:0300882,6.84,c1(c(NCCCNC(=O)c2cc(F)c(cc2Cl)F)ccc(c1)[N+](=O)[O-])C(F)(F)F,0.0
27641,CO-ADD:0300931,6.84,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c(cc2)ccc2C(OC)=O,0.0
27642,CO-ADD:0300687,6.84,c12c([nH]nc1c(cccc3[N+](=O)[O-])c3)OC(N)=C(C#N)C2c4c(F)c(F)c(c(F)c4F)F,0.0
27643,CO-ADD:0301231,6.84,n(c1c2cccc1)c(c3ccc(cc3)Oc(ccc(c4C#N)C#N)c4)cn2,0.0
27644,CO-ADD:0300809,6.84,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc5OC)cc(c5OC)OC)cccc4,0.0
27645,CO-ADD:0303882,6.84,c12c(CCNC1c(cc3)ccc3C(OC)=O)cc(c(OC)c2)OC,0.0
27646,CO-ADD:0301588,6.84,C1(C(OCCCc2ccccc2)=O)=C(C)NC(=O)CC1c3ccccc3Br,0.0
27647,CO-ADD:0301573,6.84,C1(C(F)(F)F)(C(F)(F)F)C(C)\C(=C\C)\N(C(N)=C1C#N)c(cc2)ccc2C(N)=O,0.0
27648,CO-ADD:0303101,6.84,n1(c(cc2)ccc2C(N)=O)nnnc1SCC(=O)Nc3ccccc3CC,0.0
27649,CO-ADD:0302026,6.84,c1(cc(OC)ccc1N(CC2)CCN2C(=O)c3cc(F)c(cc3Cl)F)[N+](=O)[O-],0.0
27650,CO-ADD:0301864,6.84,c1(c2c(sc1NC(COc3ccc(cc3F)F)=O)CCC2)C(=O)OC(C)C,0.0
27651,CO-ADD:0303664,6.84,N1(c2ccc(cc2)O)CC(CC1=O)C(=O)NCC(C)C,0.0
27652,CO-ADD:0303665,6.84,N(Cc1ccccc1)(C2)C(=O)CC2C(=O)Nc(cccc3[N+](=O)[O-])c3,0.0
27653,CO-ADD:0301800,6.84,c1(c(cc2)c(cccc3)c3c2c4oc(c(c5)n4)ccc5C(OC)=O)oc(c(c6)n1)ccc6C(OC)=O,0.0
27654,CO-ADD:0302091,6.84,C(=O)(Nc1cccc(C(O)=O)c1C)c2ccccc2N,0.0
27655,CO-ADD:0302819,6.84,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)CC(=O)NC(C)(C)Cc(cc2)ccc2O,0.0
27656,CO-ADD:0302800,6.84,n1c2c([nH]c1SCC(=O)N(CC3)CCO3)cccc2C,0.0
27657,CO-ADD:0311121,6.84,S(=O)(=O)(N1CCCCC1)c(ccc(c2s3)nc3SC)c2,0.0
27658,CO-ADD:0310816,6.84,c1(C(=O)OC(=N2)c(cc3)ccc3C(F)(F)F)c2c4c(cccc4)o1,0.0
27659,CO-ADD:0312184,6.84,S(=O)(=O)(c1ccc(cc1)Br)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc4ccco4,0.0
27660,CO-ADD:0306851,6.84,n1(c2ccc(cc2)OC)nnnc1SCCC#N,0.0
27661,CO-ADD:0311600,6.84,N1(c2ccc(cc2)OC)C(=O)CC(N(CCc(ccc(c3OC)OC)c3)C(c4ccccc4)=O)C1=O,0.0
27662,CO-ADD:0311225,6.84,N1(CC(O)COc(cc2)ccc2C(C)(C)c3ccc(cc3)OCC(O)CN4C(=O)C(NC4=O)(C)C)C(=O)C(NC1=O)(C)C,0.0
27663,CO-ADD:0305761,6.84,c12c(c3c(cccc3)n1CC#N)nc(cccc4)c4n2,0.0
27664,CO-ADD:0306708,6.84,C1(C2c3ccc(cc3)SC)=C(CCCC1=O)c4c(ccc(cccc5)c45)N2,0.0
27665,CO-ADD:0306285,6.84,C(=C\c(c1c([nH]2)cccc1)c2)(/C(=O)c3c(O4)cccc3)\C4=O,0.0
27666,CO-ADD:0306968,6.84,c1(C2c(cc(OCC)c(c3[N+](=O)[O-])O)c3)c([nH]nc1c4ccc(c(Cl)c4)Cl)OC(N)=C2C#N,0.0
27667,CO-ADD:0305724,6.84,C(C(OCC)=O)(=CN(c1cc(C)ccc1C)C=C2C(OCC)=O)C2c3ccc(c(OC)c3)OCC,0.0
27668,CO-ADD:0311451,6.84,C(=N/c1ccccc1)(/SC(C(=O)Nc(cc2)ccc2C(OC)=O)CC3=O)\N3C,0.0
27669,CO-ADD:0311520,6.84,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(cc3)OC,0.0
27670,CO-ADD:0311760,6.84,C(=N\c(ccc(c12)OCO1)c2)(/SC(C(=O)Nc(cc3)ccc3C(OC)=O)CC4=O)\N4C,0.0
27671,CO-ADD:0311750,6.84,C1(Nc(cc2)ccc2OC(F)(Cl)F)=NCC(C)(C)S1,0.0
27672,CO-ADD:0312115,6.83,c1(nonc1N)\C(\N)=N\OCc2c(cccc2Cl)F,0.0
27673,CO-ADD:0311977,6.83,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C(=O)c4ccccc4F,0.0
27674,CO-ADD:0311282,6.83,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(O)CN(CC(C)C)CC(C)C,0.0
27675,CO-ADD:0301132,6.83,n(c1ccc(cc1)F)(c2C)c(C)cc2\C=N\n(c3)cnn3,0.0
27676,CO-ADD:0300940,6.83,C(=O)(Nc(cc1)ccc1OCCCC)C(NCCCn(ccn2)c2)=O,0.0
27677,CO-ADD:0304742,6.83,c12c(C(N(C)C(=O)N1C)=O)n(c(OC)n2)Cc3ccc(cc3Cl)Cl,0.0
27678,CO-ADD:0302019,6.83,c1(Sc2ccc(cc2Cl)NC(C)=O)sc(c3n1)cccc3,0.0
27679,CO-ADD:0304120,6.83,c1(C(NCCCC(O)=O)=O)c2c(oc1C)CCCC2,0.0
27680,CO-ADD:0302908,6.83,N1(c2ccc(cc2)Cl)C(c3ccc(cc3)Cl)N(N=C1C(C)=O)c4ccccc4,0.0
27681,CO-ADD:0301540,6.83,[C@@]12([H])[C@]([H])(C(C)NC(=O)N1C)C(c(cc3)ccc3[N+](=O)[O-])N(C(=O)N2)C,0.0
27682,CO-ADD:0301856,6.83,c12c(cc(Br)c(cccc3)c13)C(CC(=O)N2)c(cc4)ccc4C(OC)=O,0.0
27683,CO-ADD:0301895,6.83,C1(=S)NC(C)(C)C=C(C)N1c(cccc2C(F)(F)F)c2,0.0
27684,CO-ADD:0303688,6.83,c1([nH]c(c2n1)cccc2)c3cc(OC)c(cc3[N+](=O)[O-])OC,0.0
27685,CO-ADD:0302780,6.83,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc(n3c4ccc(cc4)F)C)c3C.Cl,0.0
27686,CO-ADD:0303304,6.83,C(=O)(c1ccc(cc1)CSC2CCCCC2)Nc(ccc(c34)OCCO3)c4,0.0
27687,CO-ADD:0302170,6.83,n1(c(c2ccc(cc2)OC)nn3)c3c4c(cc(c(OC)c4)OC)CC15CCCC5,0.0
27688,CO-ADD:0302940,6.83,N(CC1)(CCO1)c2ccc(cc2)NCc(cc3)ccc3C,0.0
27689,CO-ADD:0307536,6.83,n1(c2)c(ccc(CCSc(cc3)ccc3Br)c1)cc2c4ccccc4,0.0
27690,CO-ADD:0310933,6.83,c1(ccccc1OCc2ccccc2C)C=O,0.0
27691,CO-ADD:0312443,6.83,c1(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)n(C)c3c(cccc3)n1,0.0
27692,CO-ADD:0311762,6.83,S(=O)(=O)(c1cccs1)N(c2ccccc2)NC(=O)C(O)(c3ccc(cc3)C)c4ccc(cc4)C,0.0
27693,CO-ADD:0305896,6.83,c([N+](=O)[O-])(nn(c1C(=O)Nc(ccc(c23)CCC2)c3)Cc4ccccc4)c1,0.0
27694,CO-ADD:0312141,6.83,C(C(OCC)=O)(C(F)(F)F)(NC(OCC)=O)Nc1sc2c(CCC(C(C)(C)C)C2)c1C#N,0.0
27695,CO-ADD:0311132,6.83,N1(c2ccccc2)C(=S)SC(C(NC)=O)=C1N,0.0
27696,CO-ADD:0311056,6.83,c1(nncn1\N=C\c(cccc2[N+](=O)[O-])c2)n3c(C)cc(C)n3,0.0
27697,CO-ADD:0311041,6.83,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3cccs3,0.0
27698,CO-ADD:0310867,6.83,C1(Sc(c2N1)cccc2)(N(c3ccc(cc3)Br)N=C4C(OC)=O)S4,0.0
27699,CO-ADD:0307200,6.83,c12c(CC(C)(C)CC1=O)n(c(C)c2CC(Cl)(Cl)Cl)CCCCC,0.0
27700,CO-ADD:0311746,6.83,C(=O)(C(c1ccc(cc1)C)(c2ccc(cc2)OC)c3ccc(cc3)C)NN(c4ccc(cc4)OC)C(c5ccccc5)=O,0.0
27701,CO-ADD:0307440,6.83,c(c1Cl)([N+](=O)[O-])c(Cl)nc(Cl)c1C(NCCCC)=O,0.0
27702,CO-ADD:0312528,6.83,c1(ccc(C)cc1)S(N2C[C@](O[C@H]3C4)(C=C3)[C@]4(Cl)C2)(=O)=O,0.0
27703,CO-ADD:0312623,6.83,c(cc1c(C(C(CC(=O)N(C\C=C\c2ccccc2)c3ccc(C)cc3)C(=O)O)C4C(C1C(=O)O)C(=O)N(c5ccc(C)cc5)C4)c6)c6,0.0
27704,CO-ADD:0307090,6.83,C(=O)(c1ccc(c(F)c1)F)c2ccc(c(Br)c2)OC,0.0
27705,CO-ADD:0311329,6.83,S(=O)(=O)(c1ccc(c(C)c1)C)N(CCCN2S(=O)(=O)c3ccc(c(C)c3)C)CC2,0.0
27706,CO-ADD:0311726,6.83,n1(c2ccc(cc2)C)nnnc1SCC(=O)c3ccc(cc3)O,0.0
27707,CO-ADD:0300431,6.83,N1(c2ccc(cc2)Cl)C(=O)C(N(Cc3cccs3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
27708,CO-ADD:0300779,6.83,N(\C(=C\c(cc1OCC)cc(c1OC(C)=O)Cl)\C(O2)=O)=C2c3ccc(cc3)NC(C)=O,0.0
27709,CO-ADD:0304804,6.83,C1(NC(Cc(c2c([nH]3)cccc2)c3)C(O)=O)=NC(Cc(cc(OC)c(OC)c4)c14)(C)C,0.0
27710,CO-ADD:0301386,6.83,C(NCC=C)(=S)NNC(=O)c1cccc(Br)c1,0.0
27711,CO-ADD:0302888,6.82,c1(NC(=O)CC(Sc(cccc2)c2N3)C3=O)sc(c4c1C#N)CCCC4,0.0
27712,CO-ADD:0302867,6.82,[N+](=O)([O-])c1cccc(c1)\C=N\N=C(/N)\c2ccccn2,0.0
27713,CO-ADD:0303831,6.82,S(NCCCNc1ccc(cc1C(F)(F)F)[N+](=O)[O-])(=O)(=O)c2ccc(cc2)Cl,0.0
27714,CO-ADD:0304157,6.82,C(C(OC)=O)(=CN(Cc(cc1)ccc1C)C=C2C(OC)=O)C2c3ccc(C)s3,0.0
27715,CO-ADD:0301885,6.82,c1(ccc(cc1NC(c2ccccc2)=O)[N+](=O)[O-])C(=O)Nc3ccc(cc3C)C,0.0
27716,CO-ADD:0303046,6.82,n1(c2cc(C)ccc2OC(=O)c3ccccc3Cl)nc(c4n1)cccc4,0.0
27717,CO-ADD:0302055,6.82,C1(=NC(=O)NC2=O)C2=Cc3c(cccc3Cl)N1c4ccc(cc4)Cl,0.0
27718,CO-ADD:0302985,6.82,C1(Nc(cccc2)c2C(=O)N1)(c3c(N4Cc5cccc(cccc6)c56)cccc3)C4=O,0.0
27719,CO-ADD:0301310,6.82,N1(CN2CCCC2)N=C(OC1=S)c3ccc(cc3)OCC,0.0
27720,CO-ADD:0302558,6.82,N1(CCCC(O)=O)C(=O)c(c2C1=O)cccc2,0.0
27721,CO-ADD:0303989,6.82,N(c1ccc(cc1)OCc(cc2)ccc2Cl)(C3)C(=O)CC3C(=O)N(CC4)CCN4c(cc5)ccc5[N+](=O)[O-],0.0
27722,CO-ADD:0306918,6.82,c1(noc(c2cccc(OC)c2)n1)c3nonc3N,0.0
27723,CO-ADD:0311974,6.82,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc4ccco4,0.0
27724,CO-ADD:0310759,6.82,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c(cccn5)c5)cccc4,0.0
27725,CO-ADD:0307154,6.82,n1(c(cc2)ccc2C(=O)NC(c3ccc(c(OC)c3)O)C(=O)Nc4c(C)cccc4C)cnnn1,0.0
27726,CO-ADD:0311938,6.82,C(NC(C)=O)(C(=O)c(cccc1)c1C2=O)=C2N(CC3)CCN3C(OCC)=O,0.0
27727,CO-ADD:0306215,6.82,c1(N(CC2)CCO2)nc(Oc(ccc(c34)OCO3)c4)nc(N([H])c5ccc(cc5F)F)n1,0.0
27728,CO-ADD:0311723,6.82,n1c(N)snc1SCc2ccccc2Cl,0.0
27729,CO-ADD:0312394,6.82,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3cccc(Br)c3,0.0
27730,CO-ADD:0312434,6.82,N1(CCCCCC(=O)Nc(cc2)ccc2C(O)=O)C(=O)c(c3C1=O)cccc3,0.0
27731,CO-ADD:0311351,6.82,N(c1cccc(OC)c1)(C(=O)c(cc2)ccc2n3cnnn3)C4(CCCC4)C(=O)Nc5c(C)cccc5C,0.0
27732,CO-ADD:0311086,6.82,C12(CC(CC3C1)CC(C3)C2)C(=O)NC(C(C)C)C(O)=O,0.0
27733,CO-ADD:0306823,6.82,C1(C(OC)=O)=C(C)NC(=C2C1c3cc(F)ccc3F)CCCC2=O,0.0
27734,CO-ADD:0311324,6.82,S(=O)(=O)(c1c(Br)ccc(Br)c1)N2CCCc(cccc3)c23,0.0
27735,CO-ADD:0311806,6.82,c1(C(OCC)=O)c(cc(oc(c2C(OCC)=O)N)c2c3c4ccc(cc4)Cl)c3oc1N,0.0
27736,CO-ADD:0310761,6.82,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3Cl,0.0
27737,CO-ADD:0312226,6.82,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccs4,0.0
27738,CO-ADD:0306160,6.82,C([C@@H](C)C)(C(SC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)C1)CC[C@H]1C,0.0
27739,CO-ADD:0306848,6.82,c12c(n(c(Sc3nccn3C)n1)C(C)C)C(N(C)C(=O)N2C)=O,0.0
27740,CO-ADD:0304419,6.82,C(F)(F)(Cl)Oc(cc1)ccc1NC(CCl)=O,0.0
27741,CO-ADD:0304499,6.82,c1(noc(c2ccc(cc2)Cn3c(C)c(c(C)n3)Cl)n1)c4nonc4N,0.0
27742,CO-ADD:0304793,6.82,[N+]1(CCS2)=C2c3c(cccc3)CC1(C)CC.[Br-],0.0
27743,CO-ADD:0305211,6.82,c1(c(cccc1NC(=O)c2cnsn2)ns3)n3,0.0
27744,CO-ADD:0305341,6.82,N1(C)C(\C=C\c(c(cc(OC)cc2)c2n3C)c3C)=Nc(c4C1=O)cccc4,0.0
27745,CO-ADD:0304114,6.82,c(cc(C(=O)[O-])cc1[N+](=O)[O-])([N+](=O)[O-])c1N(CC2)CCN2c(cccc3C(F)(F)F)c3.O,0.0
27746,CO-ADD:0303457,6.82,C(C(F)(F)F)(C(F)(F)F)(NC(OCC)=O)Nc1sc(c2c1C(OC)=O)CCCCC2,0.0
27747,CO-ADD:0302606,6.82,C12=C(c3c(cccc3)CC14CCCCC4)N=C(SCC#N)NC2=O,0.0
27748,CO-ADD:0304292,6.82,c1(c2ccccc2\N=C\c3ccccc3O)nnc(CCCCC4)n14,0.0
27749,CO-ADD:0304226,6.82,C12(Nc(cccc3)c3C(=O)N1CCc4ccccc4)c5c(N(Cc6ccccc6Cl)C2=O)cccc5,0.0
27750,CO-ADD:0303803,6.82,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c4ccc(cc4)C,0.0
27751,CO-ADD:0302612,6.82,N1(c2ccccc2OC)C(\C=C\c(cccc3[N+](=O)[O-])c3)=Nc(c4C1=O)cccc4,0.0
27752,CO-ADD:0303930,6.82,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(ccs4)c4,0.0
27753,CO-ADD:0302093,6.82,o(c(c1ccc(cc1)C)nn2)c2c3cccc(F)c3,0.0
27754,CO-ADD:0303078,6.82,c1(Cl)c(cccc1Cl)OCCNC(=O)C(OC)c2ccccc2,0.0
27755,CO-ADD:0301493,6.82,C1(C)(C)C(=O)C(CC)C(OC1=O)c(cc2)ccc2[N+](=O)[O-],0.0
27756,CO-ADD:0301602,6.82,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(c(OC)c3)OC)C2c4ccc(c(OC)c4)OC,0.0
27757,CO-ADD:0310866,6.82,C1(Sc(c2N1)cccc2)(N(c3ccc(cc3)OC)N=C4C(OC)=O)S4,0.0
27758,CO-ADD:0311908,6.81,C(=O)(NC(CC1(C)C)CC(N1)(C)C)C(=O)NC(C)C,0.0
27759,CO-ADD:0305559,6.81,N(Cc1ccccc1)(C(=O)C(C23)C(c4ccccc4O)NC2(Cc5c[nH]cn5)C(O)=O)C3=O,0.0
27760,CO-ADD:0305479,6.81,N(CN(CC1)CCO1)(N=C(N2c3ccccc3)CSc(cc4)ccc4OC)C2=S,0.0
27761,CO-ADD:0311303,6.81,S(=O)(=O)(NCC1CCCO1)c2ccc(c(cccc3)c23)OCC,0.0
27762,CO-ADD:0311287,6.81,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2)CC(O)CN(CC(C)C)CC(C)C,0.0
27763,CO-ADD:0306081,6.81,s1c(C)nnc1SCC(=O)c2ccc(cc2)F,0.0
27764,CO-ADD:0312339,6.81,c1(SCc2ccccc2)cc(ccc1C#N)Oc3ccccc3,0.0
27765,CO-ADD:0311511,6.81,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(ccs4)c4,0.0
27766,CO-ADD:0311192,6.81,C(C(=O)c1ccc(cc1)Cl)(C2c(cc3)ccc3C(C)C)=C(O)C(N2CCC(O)=O)=O,0.0
27767,CO-ADD:0305996,6.81,N1(c(cc2)ccc2C(C)C)CC(CC1=O)C(=O)Nc3cc(C)ccc3C,0.0
27768,CO-ADD:0311985,6.81,C(=O)(C(O)(c1ccc(cc1)F)c2ccc(cc2)F)NN(C(C)=O)c3ccccc3OC,0.0
27769,CO-ADD:0307441,6.81,c1(C(OCC)=O)c(Cl)c(Cl)c(nc1Cl)C,0.0
27770,CO-ADD:0306161,6.81,C([C@@H](C)C)(C(SC[C@H](NC(=O)OCc(cc1)ccc1)C(=O)OC)C2)CC[C@H]2C,0.0
27771,CO-ADD:0306825,6.81,C1(=COc(c2C1=O)cccc2)C3C4=C(CCCC4=O)NC(C)=C3C(OCCSCC)=O,0.0
27772,CO-ADD:0306809,6.81,c12c(cc(C)c(C)c1)NC(CC2c3ccccc3Cl)=O,0.0
27773,CO-ADD:0306801,6.81,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(cc4OC)cc(c4O)Cl,0.0
27774,CO-ADD:0311845,6.81,c1(c2)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])nn2c3ccccc3OC,0.0
27775,CO-ADD:0304421,6.81,c1(C=O)c[nH]nc1c2ccc(cc2)F,0.0
27776,CO-ADD:0300658,6.81,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2cccc(c2)OCc3ccccc3,0.0
27777,CO-ADD:0301210,6.81,N1(c(cc2)ccc2C(C)(C)C)CC(CC1=O)C(=O)Nc3ccccc3C(C)(C)C,0.0
27778,CO-ADD:0304918,6.81,n1c(c2ccc(cc2)Cl)csc1NCCc(ccc(c3OC)OC)c3,0.0
27779,CO-ADD:0300547,6.81,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(c(OCC)c5)O)cccc4,0.0
27780,CO-ADD:0300540,6.81,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(Oc4ccccc4)c3,0.0
27781,CO-ADD:0304678,6.81,C(=O)(Nc(cc1)ccc1OCCC)C(=O)NCc2ccccn2,0.0
27782,CO-ADD:0303786,6.81,c1(c(nc(N)c(C#N)c1c2ccco2)sc3C(OC)=O)c3N,0.0
27783,CO-ADD:0303920,6.81,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c(ccc(c56)OCO5)c6)cccc4,0.0
27784,CO-ADD:0303015,6.81,N(CN1CCCC(C)C1)(c(cccc2)c2C34OCCO3)C4=O,0.0
27785,CO-ADD:0303502,6.81,c1(nnnn1c2c(C)cccc2C)C3(CCCCC3)N(C)O,0.0
27786,CO-ADD:0303188,6.81,c1(c2c3ccccc3)c([nH]n2)OC(N)=C(C#N)C1c4ccc(C)s4,0.0
27787,CO-ADD:0302727,6.81,N1(c2cc(Cl)cc(Cl)c2)C(=O)C(CC1=O)S\C(\NCc3ccccc3)=N\c(cc4)ccc4OC(F)(Cl)F,0.0
27789,CO-ADD:0302406,6.81,S(NCCCl)(=O)(=O)c1ccc(c(OC)c1)OC,0.0
27790,CO-ADD:0302390,6.81,C1(C#N)=C(SCC(=O)Nc(cc2)ccc2I)NC(=O)CC1c3ccccc3OCC,0.0
27791,CO-ADD:0301940,6.81,N1(C2CCCCC2)CC(CC1=O)C(=O)NCc(cc3)ccc3OC,0.0
27792,CO-ADD:0303266,6.8,c1(cc(ccc1N(CC2)CCN2C(=O)c3ccc(cc3)Cl)[N+](=O)[O-])C(F)(F)F,0.0
27793,CO-ADD:0306785,6.8,C1(C(=O)OC(C)CC)=C(C)NC(=C2C1c3ccc(c(O)c3)OC)CCCC2=O,0.0
27794,CO-ADD:0305875,6.8,c([N+](=O)[O-])(nn(c1C(=O)Nc2sc(c3c2C(OCC)=O)CCCCC3)Cc4ccccc4)c1,0.0
27795,CO-ADD:0305866,6.8,c1(NC(=O)c(cccc2[N+](=O)[O-])c2C)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
27797,CO-ADD:0306878,6.8,c1(noc(c2ccc(c(OC)c2)OC)n1)c3nonc3N,0.0
27798,CO-ADD:0305705,6.8,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3C)C2c4ccco4,0.0
27799,CO-ADD:0311928,6.8,c(c1)(cc(cn1)Br)C(NCCOCc(cc2)ccc2Cl)=O,0.0
27800,CO-ADD:0307189,6.8,n1(c2ccc(cc2F)F)c(C)c(c3c1CC(C)(C)CC3=O)CC(Cl)(Cl)Cl,0.0
27801,CO-ADD:0305835,6.8,c1(NC(COc2ccc(cc2F)F)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
27802,CO-ADD:0305793,6.8,c1(NC(COc2ccc(cc2Br)Cl)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
27803,CO-ADD:0312646,6.8,C1=C[C@@H]2O[C@@]13[C@@]([C@]24[H])([H])[C@]([C@@H](N([C@H]35)C(=O)C(F)(F)F)[C@@H](C([C@@H]5C)=O)C)(C(=C6C(OC)=O)C(OC)=O)O[C@@H]46,0.0
27804,CO-ADD:0306270,6.8,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2cc3c(cc2Br)OCO3,0.0
27805,CO-ADD:0310908,6.8,[N+](=O)([O-])c1c(OCC)ccc(c1)C(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC(C)c4ccccc4,0.0
27806,CO-ADD:0310762,6.8,C(C(OC)=O)(=CN(Cc(ccc(c1OC)OC)c1)C=C2C(OC)=O)C2c3cccc(OC)c3OC,0.0
27807,CO-ADD:0312218,6.8,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cc(OC)c(cc5OC)OC,0.0
27808,CO-ADD:0311838,6.8,c1(N2CCCCC2)nc(OCC(F)(F)F)nc(Nc(cc3)ccc3OC(F)(F)F)n1,0.0
27809,CO-ADD:0307506,6.8,n1(C)cnnc1SCc(ccc(c2n3)ns3)c2,0.0
27810,CO-ADD:0307418,6.8,C1(C2c3ccc(cc3)O)=C(CCCC1=O)c4c(ccc5c4cccn5)N2,0.0
27811,CO-ADD:0300501,6.8,c1(N=NC(=O)C(CCC)(CCC)O)c2c([nH]c1O)ccc(Br)c2,0.0
27812,CO-ADD:0300509,6.8,N1(\N=C(/C)\c2ccccc2O)C(=O)c3c(NC1c4ccco4)cccc3,0.0
27813,CO-ADD:0301118,6.8,N1(c2ccc(c(Cl)c2)N3CCCCC3)C(c4cc(Cl)cc(Cl)c4OCc5ccccc5)N(N=C1C(C)=O)c6ccccc6,0.0
27814,CO-ADD:0300919,6.8,N1C(=O)NC(C(Br)=C1Cl)=O,0.0
27815,CO-ADD:0301151,6.8,C1(O)(C(F)(F)F)CC(=NN1C(CCCc2ccccc2)=O)C3CCCCC3,0.0
27816,CO-ADD:0300881,6.8,[N+](=O)([O-])c1c(NCCCNC(=O)c2cc(F)c(cc2Cl)F)ccc(c1)C(F)(F)F,0.0
27817,CO-ADD:0304688,6.8,n1c(N)snc1SCc(cc2)ccc2F,0.0
27818,CO-ADD:0304657,6.8,n1(Cc2ccco2)c3c(c(C(C)=O)c1C)cc(O)cc3,0.0
27819,CO-ADD:0305318,6.8,s1c(C)nnc1SCC(=O)c2ccc(cc2)Cl,0.0
27820,CO-ADD:0304822,6.8,C(=O)(Nc1ccccn1)C(O)(c2ccccc2)c3ccccc3,0.0
27821,CO-ADD:0301496,6.8,c1(nonc1N)\C(\N)=N\N=C\c2ccc(cc2OC)OC,0.0
27822,CO-ADD:0303750,6.8,N1(c2ccccc2C)C(=O)\C(=C\Nc3cccc(C)c3)\C(NC1=O)=O,0.0
27823,CO-ADD:0303723,6.8,N1(CNc2ccccc2)C(=O)C(C(C3)C1=O)CC=C3,0.0
27824,CO-ADD:0301909,6.8,N1(Nc2ccccc2C(CC)=O)c(cccc3)c3C(=O)C1(C)OC,0.0
27826,CO-ADD:0302419,6.8,c1(N(CC2)CCN2C(c3ccccc3)=O)scc(c4cccs4)n1,0.0
27827,CO-ADD:0302724,6.8,N1(c2ccc(cc2)OC(F)(Cl)F)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Cl,0.0
27828,CO-ADD:0304021,6.8,c1(noc(c2cccc(Br)c2)n1)c3nonc3N,0.0
27829,CO-ADD:0303051,6.8,S(=O)(=O)(c(ccc(c1C(O)=O)Cl)c1)N(CC2)CCO2,0.0
27830,CO-ADD:0303692,6.8,n1(c2cccc(cccc3)c23)nnnc1SCCCC(=O)c4ccc(cc4)F,0.0
27831,CO-ADD:0301398,6.8,C12(CCCCC1)C(=O)C(C)C(OC2=O)c3ccccc3,0.0
27832,CO-ADD:0301570,6.8,c1(cc(ccc1Oc(cc2)c(OC)cc2C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3)C(F)(F)F)[N+](=O)[O-],0.0
27833,CO-ADD:0305697,6.8,C(=C(C)NC(=C1C#N)SCC(OCc2ccccc2)=O)(C(=O)Nc3ccccc3C)C1c4ccco4,0.0
27834,CO-ADD:0305473,6.8,c1(scc(c(cccc2[N+](=O)[O-])c2)n1)N3CCCC3C(=O)OCc4ccccc4,0.0
27835,CO-ADD:0307051,6.79,c1(ccc(c(F)c1Br)N(CC2)CCO2)[N+](=O)[O-],0.0
27836,CO-ADD:0312053,6.79,s1c(N)nnc1SCC(=O)Nc(cccc2C(F)(F)F)c2,0.0
27837,CO-ADD:0307405,6.79,n12c(S\C(=C\c(ccc(c3OC)OCC(=O)Nc(cc4)ccc4OC(F)(F)F)c3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
27838,CO-ADD:0307127,6.79,n(c(c(cc1)ccc1C(=O)NC(C)C)c2c(c3Nc(cc4)ccc4OC(F)(Cl)F)cccc2)n3,0.0
27839,CO-ADD:0306236,6.79,n1(c2ccc(cc2)OC)nnnc1SCC(=O)Nc(ccc(c3F)F)c3,0.0
27840,CO-ADD:0307182,6.79,C1(C#N)(CC(=O)C23CC4CC(CC(C4)C2)C3)C(N)=C(CC1(C#N)C#N)C=O,0.0
27841,CO-ADD:0306740,6.79,s1c(N)nnc1SCC(=O)Nc(cccc2C(=O)OC(C)C)c2,0.0
27842,CO-ADD:0306725,6.79,c1(c2ccccc2)cc(c(cc3)ccc3C(C)C)nc(ccc4c5cccn4)c15,0.0
27843,CO-ADD:0307122,6.79,n(c(c1ccc(cc1)C)c2c(c3Nc(cc4)ccc4OC(F)(F)Cl)cccc2)n3,0.0
27844,CO-ADD:0307641,6.79,c1(c2)c(cc(OC)c2NC(=O)c3ccccc3SC)c4c(cccc4)o1,0.0
27845,CO-ADD:0311538,6.79,n12c(nnc1SC3CCc(c4C3=O)cccc4)nc(NCC)nc2NCC,0.0
27846,CO-ADD:0306847,6.79,c1(SCc(ccc(c2Cl)Cl)c2)oc(c3n1)cccc3,0.0
27847,CO-ADD:0312618,6.79,c(cc(c1c2)CN(C3N1)C(=O)C4C35OC(C4C(OC)=O)CC5)c2,0.0
27848,CO-ADD:0311346,6.79,c(cc1Cl)(OC(=O)C=C2C)c2cc1OC(CC)=O,0.0
27849,CO-ADD:0305784,6.79,c1(NC(=O)c2ccccc2F)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
27850,CO-ADD:0304775,6.79,C(=O)(N(CC1)CCO1)Oc2c(OC)cc(cc2Cl)C=O,0.0
27851,CO-ADD:0305276,6.79,c12c(n(c(N\N=C\c3cc(OC)ccc3O)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
27852,CO-ADD:0305053,6.79,c1(C2c(cc3OCC)cc(c3O)Br)c([nH]nc1c4ccc(cc4)OC)OC(N)=C2C#N,0.0
27853,CO-ADD:0304831,6.79,N1(CC(COc2ccccc2)OC(c3ccoc3)O1)C(c4ccccc4)=O,0.0
27854,CO-ADD:0300382,6.79,c12c(n(c(SCc3ccc(cc3Cl)Cl)n1)CC)C(N(C)C(=O)N2C)=O,0.0
27855,CO-ADD:0305360,6.79,C(CC)(O)(c1ccc(cc1)OCCC)CCN2CCCCC2.Cl,0.0
27856,CO-ADD:0304856,6.79,c12c(n(c(N\N=C\c(cc3)ccc3O)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
27857,CO-ADD:0303588,6.79,S(=O)(=O)(Nc1ccccc1)c(ccc(c2C(=O)NC3CCCCC3)OC)c2,0.0
27858,CO-ADD:0301726,6.79,C(=C\c(ccc(c1OCC)OCCOc(cc2)ccc2C(C)CC)c1)(/C(=O)NC(N3)=S)\C3=O,0.0
27859,CO-ADD:0301655,6.79,C1(C(OCC)=O)=C(N)OC(CCCC2=O)=C2C1c3c(cccc3Cl)F,0.0
27860,CO-ADD:0304357,6.79,n12c(ccc(N(CC3)CCN3c4ccccc4)n1)nnc2C(F)(F)F,0.0
27861,CO-ADD:0302712,6.79,C1(=C(CCCC1=O)N)C(=O)CC(CC2=O)CC(N2)=O,0.0
27862,CO-ADD:0301663,6.79,C(OC)(CNc1ccccc1)=O.Cl,0.0
27863,CO-ADD:0303105,6.79,C(=O)(Nc(cc1)ccc1OCCNC(=O)c(ccc(c2Cl)Cl)c2)c(ccc(c3Cl)Cl)c3,0.0
27864,CO-ADD:0301859,6.79,c12c(cc(Br)c(cccc3)c13)C(CC(=O)N2)c4ccc(c(Br)c4)F,0.0
27865,CO-ADD:0302013,6.79,c12c(c(c(C)c(C)n1)C)c(nn2c3ccccc3)C,0.0
27866,CO-ADD:0304312,6.79,C12(OC(C(C(N3c4ccc(cc4)OCC)=O)C1C3=O)c5ccc(cc5)F)C(=O)c6c(cccc6)C2=O,0.0
27867,CO-ADD:0302111,6.79,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2ccccc2C(=O)Nc(cc3)ccn3,0.0
27868,CO-ADD:0304068,6.79,N1[C@@H](c2ccc(cc2)F)[C@@]([H])(CC=C3)[C@@]3(c(cccc4F)c14)[H],0.0
27869,CO-ADD:0307607,6.79,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3C)c(F)cc3C(C)=O,0.0
27870,CO-ADD:0312245,6.79,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccccc3OC(C)C,0.0
27871,CO-ADD:0307436,6.79,c1(nnc(N)s1)C23CC4CC(CC(C4)C2)C3,0.0
27872,CO-ADD:0310781,6.79,C1(NC(CCC1[N+](=O)[O-])=O)c2cc3c(cc2Br)OCO3,0.0
27873,CO-ADD:0311628,6.79,c1(NC(COc2ccc(cc2F)F)=O)sc(c3c1C#N)CCC3,0.0
27874,CO-ADD:0310884,6.79,S(=O)(=O)(c1ccc(cc1)Br)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc(cc4)ccc4Cl,0.0
27875,CO-ADD:0306898,6.79,C12(C(=O)Nc(ccc(C)c3Br)c13)C(C#N)=C(N)Oc([nH]nc4c5ccc(c(OC)c5)OC)c24,0.0
27876,CO-ADD:0306057,6.79,N1C(=O)C(C#N)C(C([n+]2ccccc2)C1=O)c3ccc(cc3)OCC.[Cl-],0.0
27877,CO-ADD:0311412,6.79,n1(c2ccccc2OC)ncc3c1cc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
27878,CO-ADD:0311436,6.79,n1c(N)nc(c(CC)c1S)C,0.0
27879,CO-ADD:0307004,6.79,C(C(N)=O)(C(N)=N)N=Nc(cc1)ccc1OC,0.0
27880,CO-ADD:0311259,6.79,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c3ccccc3C)\C1=N,0.0
27881,CO-ADD:0311464,6.79,C(=O)(c(cc1)ccc1C(F)(F)F)N(CC2)CCN2c3ccccc3C,0.0
27882,CO-ADD:0307216,6.78,c1(C2c3ccc(c4c3)OCO4)c([nH]nc1c5ccc(cc5)F)OC(N)=C2C#N,0.0
27883,CO-ADD:0310978,6.78,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccccc1OC)Nc2sc3c(CCC(C(C)(C)C)C3)c2C#N,0.0
27884,CO-ADD:0307147,6.78,c1(SCC(=O)Nc(cc2)ccc2OC(Cl)(F)F)sc(c3n1)ccc(Cl)c3,0.0
27885,CO-ADD:0311575,6.78,C1(C(OC)=O)(C(F)(F)F)N=C(C=CC(=C2)Cl)N2C(c3ccc(cc3)C)=N1,0.0
27886,CO-ADD:0300802,6.78,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5OC)cc(c5O)Cl)cccc4,0.0
27887,CO-ADD:0300834,6.78,N1(CN(CC2)CCC2C(OCC)=O)c(cccc3)c3\C(=N\NC(=O)c4ccc(cc4)C)\C1=O,0.0
27888,CO-ADD:0305277,6.78,c12c(C(N(C)C(=O)N1C)=O)n(c(N3)n2)CC(=N3)c4cccc(OC)c4,0.0
27889,CO-ADD:0304597,6.78,c1(ccccc1Br)COc2ccccc2C=O,0.0
27890,CO-ADD:0304598,6.78,c1(OCc2cccc(Br)c2)c(OCC)cc(cc1Br)C=O,0.0
27891,CO-ADD:0305031,6.78,N1c(ccc(c2)C(OCC)=O)c2[C@]3([C@]([H])(CC=C3)[C@@H]1c(cccn4)c4)[H],0.0
27892,CO-ADD:0304859,6.78,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc4ccccc4OC)c5ccccc5,0.0
27893,CO-ADD:0300808,6.78,c1(NC(=O)c(ccc(c2[N+](=O)[O-])C)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OC,0.0
27894,CO-ADD:0305367,6.78,N1(c(cc2)ccc2C(=O)N(CC)CC)C(=O)C(C3C1=O)C4CC3C=C4,0.0
27895,CO-ADD:0304291,6.78,c1(cc(C)ccc1O)C(C)=O,0.0
27896,CO-ADD:0304070,6.78,N12C(S\C(=C/c3ccco3)\C1=O)=NCN(c4ccc(cc4)OC)C2,0.0
27897,CO-ADD:0302136,6.78,c(c1)(cc(cc1NC(COc(cc2)ccc2C)=O)NC(COc(cc3)ccc3C)=O)C(O)=O,0.0
27898,CO-ADD:0301704,6.78,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(ccc(c3OCC)OCCOc4ccccc4)c3)\C1=O)=O,0.0
27899,CO-ADD:0304094,6.78,C(C(c1ccccc1)=O)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2c4cccc(Cl)c4)=O,0.0
27900,CO-ADD:0303869,6.78,C1(CC(OCC)=O)(c2ccc(c(OC)c2)OC)C(=O)c3c(cccc3)C1=O,0.0
27901,CO-ADD:0302190,6.78,S(=O)(=O)(c1ccc(cc1)Br)N(CC(O)=O)CC(=O)Nc2ccccc2,0.0
27902,CO-ADD:0303896,6.78,C1(C2C(CCC=C3)C3)=C(CCCC1=O)c4c(ccc5c4cccn5)N2,0.0
27903,CO-ADD:0303993,6.78,N1(CC(CC1=O)C(O)=O)c2cccc(C)c2C,0.0
27904,CO-ADD:0301324,6.78,c12c(nnc(SCC(=O)N3CCc(cccc4)c34)n1)c5c(cccc5)n2C,0.0
27905,CO-ADD:0302499,6.78,o(c(c1ccccc1)nn2)c2c(cc3)ccc3C(O)=O,0.0
27906,CO-ADD:0303988,6.78,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)Nc(ccc(c3Cl)Br)c3,0.0
27907,CO-ADD:0310845,6.78,S(=O)(=O)(N1CCCCC1)c(ccc(c2O3)N(C3=O)C)c2,0.0
27908,CO-ADD:0306292,6.78,S(=O)(=O)(c1ccc(cc1)C)N2C\C(\c3c2cc(cc3[N+](=O)[O-])[N+](=O)[O-])=C/c4ccccc4,0.0
27909,CO-ADD:0306173,6.78,N1C(c2ccc(cc2)OCc3ccccc3F)SCC1C(O)=O,0.0
27910,CO-ADD:0306357,6.78,C(OC)(F)(C(F)(F)F)C(=O)Oc(c(Cl)ccc1[N+](=O)[O-])c1,0.0
27911,CO-ADD:0306333,6.78,C(=O)(Nc(cccc1NC(=O)N2CCCC(C)C2C)c1)N3CCCC(C)C3C,0.0
27912,CO-ADD:0311926,6.78,c1(Sc2ccccc2C(O)=O)c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0.0
27913,CO-ADD:0311002,6.78,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)\C(\C(CCC)=N1)=C/NCCc3ccccc3,0.0
27914,CO-ADD:0312055,6.78,s1c(N)nnc1SCC(=O)c(cc2)ccc2c3ccccc3,0.0
27915,CO-ADD:0310923,6.78,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc4ccco4,0.0
27916,CO-ADD:0311522,6.78,C1(C(OCCSCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OC(F)(F)F,0.0
27917,CO-ADD:0311405,6.78,N1(c2ccccn2)C(C)(O)C(OC1=O)(C)C,0.0
27918,CO-ADD:0311779,6.78,C(=O)(C(O)(c1ccc(cc1)C)c2ccc(cc2)C)NN(C(CC)c3ccc(cc3)C)C(c4ccccc4)=O,0.0
27919,CO-ADD:0312212,6.78,N1(Cc(cc2)ccc2OC)\C(=N\c3ccccc3)\SC(C(=O)Nc4ccc(cc4C)C)CC1=O,0.0
27920,CO-ADD:0324854,6.78,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCCOc4cccc(OC)c4)c3)\C2=N,0.0
27921,CO-ADD:0323423,6.78,N1(C(=O)\C(\SC1=N)=C\c(ccc2c3cccc(Cl)c3Cl)o2)c4nonc4NC(C)=O,0.0
27922,CO-ADD:0320508,6.78,N1(Cc(ccc(c23)OCO2)c3)\C(=N/c(cc4)ccc4F)\SC(C(=O)Nc(cc5)ccc5OC(F)(Cl)F)CC1=O,0.0
27923,CO-ADD:0323392,6.78,N1C(=O)\C(\SC1=S)=C/c(cc2c(n3)ccc(OC)c2)c3O,0.0
27924,CO-ADD:0300788,6.78,n1c2c(oc1\C=C\c(ccc3c4ccc(cc4)Br)o3)cccc2,0.0
27925,CO-ADD:0300836,6.78,c1(c(C)n[nH]c1O)C(c(cc2)cc(c2OC(=O)c3ccccc3Cl)OC)c4c(C)n[nH]c4O,0.0
27926,CO-ADD:0304951,6.78,N(\C(=C/c(cc1)ccc1Cl)\C(N2)=O)=C2c3ccccc3,0.0
27927,CO-ADD:0304543,6.78,C(=O)(c1ccc(cc1)Br)CN(CC2)CCO2,0.0
27928,CO-ADD:0304960,6.78,N1(CC(OCC)=O)NC(NC1=S)(CC2)CCC2C(C)(C)CC,0.0
27929,CO-ADD:0304976,6.78,n1c(C)scc1c2ccc(cc2)O.Cl,0.0
27930,CO-ADD:0300825,6.78,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Nc(ccc(c4s5)nc5SCC(=O)NCc6ccco6)c4,0.0
27931,CO-ADD:0305087,6.78,C(CN(CC1)CCO1)#CC(c2ccccc2)OC(C)=O.Cl,0.0
27932,CO-ADD:0304599,6.77,c1(OC)cc(ccc1OCc2ccccc2Br)C=O,0.0
27933,CO-ADD:0303990,6.77,N1(c2ccc(cc2)OCCCC)CC(CC1=O)C(NCCc(ccc(c3OC)OC)c3)=O,0.0
27934,CO-ADD:0304005,6.77,c(C(=O)N1CCCCC1)(s2)c(C)c(c2NC(COc3ccc(cc3C)Cl)=O)C(OCC)=O,0.0
27935,CO-ADD:0303862,6.77,C1(N(CC2C)CC(O2)C)=NC(\C(=C/c(cc3)ccc3OCc4ccccc4)\S1)=O,0.0
27936,CO-ADD:0301841,6.77,c1(nnc(Cc(ccc(c2OC)OC)c2)s1)NC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
27937,CO-ADD:0303916,6.77,C(C(=O)OCc1ccccc1)(C2c(cc3)ccc3C(F)(F)F)=C(C)NC(CCCC4=O)=C24,0.0
27938,CO-ADD:0303855,6.77,N1(c2ccc(c(Cl)c2)Cl)CC(CC1=O)C(=O)Nc(cccc3C(C)=O)c3,0.0
27939,CO-ADD:0304144,6.77,c(NC(=O)c1c(Cl)ccc(c1)[N+](=O)[O-])(s2)c(C(OCC)=O)c(c2C(=O)N3CCCCC3)C,0.0
27940,CO-ADD:0302409,6.77,c1(cc(ccc1Cl)CNC(CCl)=O)C(O)=O,0.0
27941,CO-ADD:0303146,6.77,C(=O)(Nc1ccccc1C2CC2)c3ccccc3Br,0.0
27942,CO-ADD:0303083,6.77,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2C(=O)N(C)C,0.0
27943,CO-ADD:0301533,6.77,c12c(C(N(C)C(=O)N1C)=O)n(c(N3CCCCC3)n2)CC(=O)C45CC6CC(CC(C6)C4)C5,0.0
27944,CO-ADD:0303219,6.77,C1(C(OCCOC)=O)=C(C)NC(=O)CC1c2ccccc2OCc3ccccc3,0.0
27945,CO-ADD:0312399,6.77,N1(c(cc2)ccc2C(OCC)=O)C(c(cc3)ccc3C(OC)=O)C(C1=O)Oc4ccccc4C,0.0
27946,CO-ADD:0305984,6.77,c(C(OCC)=O)(c(cc(O)c(c12)cccc1)c2n3CCOc(cc4)ccc4CC)c3C,0.0
27947,CO-ADD:0305906,6.77,C1(NC(COc2ccc(cc2Br)Cl)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
27948,CO-ADD:0306062,6.77,N1C(=O)C(C#N)C(C([n+]2ccccc2)C1=O)c3ccccc3Cl.[Cl-],0.0
27949,CO-ADD:0305994,6.77,[N+](=O)([O-])c1c(ccc(c1)C(=O)Nc2ccccc2OCC(F)(F)F)OCC(F)(F)C(F)F,0.0
27950,CO-ADD:0305986,6.77,N1(CCC2=CCCCC2)C(=O)c3c(cccc3)C1=O,0.0
27951,CO-ADD:0311377,6.77,C(C(OC)=O)(Nc1ccc(cn1)Br)(C(F)(F)F)NC(=O)c2ccc(cc2)OC,0.0
27952,CO-ADD:0311775,6.77,S(C)(=O)(=O)N(c1ccc(cc1)C)NC(=O)C(CCCCCC)(CCCCCC)O,0.0
27953,CO-ADD:0311328,6.77,S(=O)(=O)(c1ccc(cc1)OCCCC)N(CC2)CCN2c3ccccc3OCC,0.0
27954,CO-ADD:0311327,6.77,n1(c2c(nn1)cccc2)S(=O)(=O)c3c(C)cc(c(C)c3)Br,0.0
27955,CO-ADD:0312355,6.77,n1c(cc(c2c1ccc(c23)cccc3)C)c(cc4OCC)cc(c4O)Br,0.0
27956,CO-ADD:0311207,6.77,S1(=O)(=O)c(cccc2)c2C(=O)N1CC(O)COc(cc3)ccc3[N+](=O)[O-],0.0
27957,CO-ADD:0319132,6.77,C(CO)(CO)(CO)C(NCCSc(cc1)ccc1C)=O,0.0
27958,CO-ADD:0323466,6.77,N1(C(=O)CSc2nc(c3ccccc3)cc(c4ccccc4)c2C#N)c5c(cccc5)Sc(ccc(Cl)c6)c16,0.0
27959,CO-ADD:0323403,6.77,c12c(C(N(C)C(=O)N1C)=O)n(c(SCc(nc(N)nc3N4CCCCC4)n3)n2)Cc(cc5)ccc5C(C)(C)C,0.0
27960,CO-ADD:0320608,6.77,[N+](=O)([O-])c1ccc(cc1)NCCNC(=O)c2ccccc2Br,0.0
27961,CO-ADD:0300582,6.77,C(=S)(Nc1cccc(ccc(C)n2)c12)NC(Cc(cc3)ccc3Cl)=O,0.0
27962,CO-ADD:0300798,6.77,c1(NC(=O)c(ccc(c23)OCO2)c3)sc(c(C)c1C(OCC)=O)C(=O)Nc4ccccc4OC,0.0
27963,CO-ADD:0300822,6.77,N(c1ccccc1)(CC2)CCN2Cc3ccc(cc3Cl)C#N.Cl,0.0
27964,CO-ADD:0301182,6.77,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(cc4OCC)cc(c4OCC#C)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
27965,CO-ADD:0301206,6.77,N1(c2ccc(c(C)c2)C)CC(CC1=O)C(NCCc(cc3)ccc3Cl)=O,0.0
27966,CO-ADD:0304442,6.77,C(C(C)=O)(C1c2ccc(cc2)OC)=C(O)C(N1CCCN(C)C)=O,0.0
27967,CO-ADD:0300522,6.77,c1(C(O)C(O)c2nnc(SCc3ccccc3Cl)n2C)nnc(SCc4ccccc4Cl)n1C,0.0
27968,CO-ADD:0300306,6.77,N(C)(C(=O)C(Cc(cc1)ccc1OCC=C)C(N2C)=O)C2=O,0.0
27969,CO-ADD:0304659,6.77,N1(c2ccc(cc2)OCC)CC(CC1=O)C(=O)NCc3cccc(C)c3,0.0
27970,CO-ADD:0304628,6.77,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)nccn1CCc3ccccc3,0.0
27971,CO-ADD:0304613,6.77,c1(SCC(NCCc2ccccc2)=O)sc(c3n1)ccc(Cl)c3,0.0
27972,CO-ADD:0304073,6.77,N1(C2)C(SCC1=O)=NCN2c(cc3)ccc3C(C)=O,0.0
27973,CO-ADD:0304051,6.77,C(=O)(c1cccc(F)c1)N(CC2)CCN2c(cc3)c(F)cc3C(c4ccccc4)=O,0.0
27974,CO-ADD:0301870,6.77,C1(=COc(c2C1=O)ccc(Cl)c2)C3Nc4c(NC(CC(C)(C)CC5=O)=C35)cccc4,0.0
27975,CO-ADD:0301728,6.77,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(cc3OCC)cc(c3OCCOc(ccc(c4C)C)c4)Br)\C1=O)=O,0.0
27976,CO-ADD:0301713,6.77,C(=C/c(cc1)ccc1OCCOc(cc2)ccc2[N+](=O)[O-])(/C(=O)NC(N3)=O)\C3=O,0.0
27977,CO-ADD:0302045,6.77,[N+](=O)([O-])c1ccc(cc1)OCCOc2cccc(c2)\C=N/NC(=O)Nc3ccccc3,0.0
27978,CO-ADD:0305978,6.77,c1(C#N)c(SCC(=O)Nc2ccccc2C(F)(F)F)nsc1SCC(=O)Nc3ccccc3C(F)(F)F,0.0
27979,CO-ADD:0305900,6.76,C(=O)(Nc(ccc(c12)CCC1)c2)c3ccco3,0.0
27980,CO-ADD:0312002,6.76,c(c1c(cc2)ccn2)(C3c4ccc(cc4)F)c([nH]n1)OC(N)=C3C#N,0.0
27981,CO-ADD:0307163,6.76,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(cc4)ccc4OCc5ccccc5F)\C1=O,0.0
27982,CO-ADD:0306035,6.76,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)NC(c4ccccc4)c5ccc(cc5)Br)c1C)cc(OC)cc3,0.0
27983,CO-ADD:0305568,6.76,n1(\N=C\c(cc2OCC)cc(c2O)Br)nnnc1N,0.0
27984,CO-ADD:0307525,6.76,S(=O)(=O)(N(C)C)Oc(c(Br)cc(c1S2)OC2=O)c1,0.0
27985,CO-ADD:0307494,6.76,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(c4)OCc5ccccc5,0.0
27986,CO-ADD:0311456,6.76,C(C(F)(F)F)(Oc(cc(C)cc1C)c1C2=O)=C2,0.0
27987,CO-ADD:0312089,6.76,c1(N2CCCC[C@@]2([H])c(cccn3)c3)nc(NC)nc(OCC(F)(F)F)n1,0.0
27988,CO-ADD:0311999,6.76,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccco1)Nc2sc(c3c2C#N)CC(CC3)C,0.0
27989,CO-ADD:0311912,6.76,C(NCc1ccccc1)(=S)NNC(NCC)=S,0.0
27990,CO-ADD:0300631,6.76,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=C3C1c4ccc(c(OC)c4OC)OC)CCCC3=O,0.0
27991,CO-ADD:0300823,6.76,c(cc(C(O)=O)cc1[N+](=O)[O-])([N+](=O)[O-])c1N(CC2)CCN2c3ccccc3,0.0
27992,CO-ADD:0304646,6.76,n1(c2ccc(cc2)CCCC)c(CCC(O)=O)ccc1c3ccccc3,0.0
27993,CO-ADD:0300848,6.76,c1(cc(oc1C)C)C(=O)NC(Cc(c2c([nH]3)cccc2)c3)C(O)=O,0.0
27994,CO-ADD:0300346,6.76,c1(cc(c2o1)cccc2)C(=O)Nc3ccc(c(OC)c3)OC,0.0
27995,CO-ADD:0304721,6.76,o1c(SCc2ccccc2)nnc1c3ccc(cc3)N=C=S,0.0
27996,CO-ADD:0304785,6.76,C(C#N)(=C(S)NC(C1c2scc(c3ccccc3)n2)=N)C14CCCCC4,0.0
27997,CO-ADD:0304746,6.76,[nH]1c2c(nc1SCc(cccc3C(F)(F)F)c3)cccn2,0.0
27998,CO-ADD:0301179,6.76,n1(CCCCNC(=O)CC#N)c(C)ccc1C,0.0
27999,CO-ADD:0304815,6.76,N1(CC(O)=O)c2c(SC1=O)cccc2,0.0
28000,CO-ADD:0305313,6.76,N1(c2c(OC)ccc(OC)c2)C(=O)\C(=C\c(ccc(c3)N(CC)CC)c3O)\C(NC1=S)=O,0.0
28001,CO-ADD:0300479,6.76,N(Cc1ccccc1)(C(=O)c(cc2)ccc2n3cnnn3)C4(CCCCC4)C(=O)Nc5ccccc5,0.0
28002,CO-ADD:0302493,6.76,c1(NC(CSc2nc(C)cc(n2)C(F)(F)F)=O)sc3c(CCC(C(C)(C)C)C3)c1C#N,0.0
28003,CO-ADD:0302699,6.76,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)N3CCCCC3)c4ccccc4,0.0
28004,CO-ADD:0301577,6.76,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(cc5)cc(c5OC(C6CCCCC6)=O)OCC)cccc4,0.0
28005,CO-ADD:0301397,6.76,C1(OC(c2ccccc2)=O)=C(CC)C(OC(c3ccccc3)C1(C)C)=O,0.0
28006,CO-ADD:0302016,6.76,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCc(c(OC)ccc5[N+](=O)[O-])c5)c3,0.0
28007,CO-ADD:0303195,6.76,[n+]1([O-])onc2c1ccc(c2)Br,0.0
28008,CO-ADD:0304388,6.76,C(C(OC)=O)(C(=O)\C(\N1)=C/c(cc(n2c3ccc(c(Cl)c3)Cl)C)c2C)=C1C,0.0
28009,CO-ADD:0303138,6.76,c1(NC(CSc2nnc(C)s2)=O)sc(c3c1C(N)=O)CCCC3,0.0
28010,CO-ADD:0305521,6.76,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4ccc(cc4)Br,0.0
28011,CO-ADD:0306774,6.76,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(C)c3,0.0
28012,CO-ADD:0306758,6.76,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c(F)c3)F,0.0
28013,CO-ADD:0305849,6.76,c1(NC(COc(cc2)cc(c2[N+](=O)[O-])C)=O)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
28014,CO-ADD:0312085,6.76,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C/c3cccc(F)c3,0.0
28015,CO-ADD:0305433,6.76,C(=C/c1ccccc1OC)(/C(=O)OC2(O3)CCCCC2)\C3=O,0.0
28016,CO-ADD:0311935,6.76,C(NC)(SCC(=O)NC(C)(C)C)=N.Cl,0.0
28017,CO-ADD:0311972,6.76,c1(cc(oc1C)CC(C)C)C(=O)Nc(cccc2C(O)=O)c2,0.0
28018,CO-ADD:0312575,6.76,C1=C[C@@]2([C@]([C@]34[H])([H])[C@@]5(O[C@H]3C(C(N(C6=O)C)=O)C56)CN(C(OC)=O)C2)O[C@H]14,0.0
28019,CO-ADD:0305580,6.76,c1(OCc2ccccc2Cl)cc(ccc1C=O)OCc3ccccc3Cl,0.0
28020,CO-ADD:0307332,6.76,c1(c2ccccc2Br)nnc(SCC(O)=O)n1C3CCCCC3,0.0
28021,CO-ADD:0306245,6.76,c1(NC(=O)c2ccccc2F)sc(c(CCN3C(C)=O)c1C(OCC)=O)C3,0.0
28022,CO-ADD:0320664,6.76,n1(CC=C)c(SCC(=O)Nc2nnc(CC)s2)nnc1c(cccn3)c3,0.0
28023,CO-ADD:0320625,6.76,C(=O)(c(cc1OC)cc(c1OC)OC)Nc2cccc(C)n2,0.0
28024,CO-ADD:0320657,6.75,C1(=Cc(cccc2OC)c2OC1c3ccc(c(OCC)c3)OCC)[N+](=O)[O-],0.0
28025,CO-ADD:0320689,6.75,C(=N/c(ccc(c1C)C)c1)(/SC(C(=O)Nc(cc2)ccc2OC(Cl)(F)F)CC3=O)\N3CC,0.0
28026,CO-ADD:0301032,6.75,c12c([nH]nc1c3ccc(cc3)OC)OC(=C(C#N)C24c5c(NC4=O)cccc5)N,0.0
28027,CO-ADD:0300313,6.75,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)Nc(cc3)c(Br)cc3[N+](=O)[O-],0.0
28028,CO-ADD:0305090,6.75,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C\c(c(O)ccc3[N+](=O)[O-])c3,0.0
28029,CO-ADD:0304594,6.75,c1(OCc(cc2)ccc2I)c(OC)cc(cc1OC)C=O,0.0
28030,CO-ADD:0300392,6.75,c1(SCC(OC)=O)nc(c2ccccc2)cc(C)c1C#N,0.0
28031,CO-ADD:0301652,6.75,N1C(=O)CCNC1=O,0.0
28032,CO-ADD:0304268,6.75,C1(=O)Nc(c2N1)ccc(c2)NCc3cccc(OC)c3OCc4ccccc4Cl,0.0
28033,CO-ADD:0304260,6.75,c12c(OCCN1CCNc(cc3)ccc3[N+](=O)[O-])nc(c4n2)cccc4,0.0
28034,CO-ADD:0303835,6.75,N1(c(cc2)ccc2C(O)=O)C(=S)NN=C1c3ccc(cc3)Br,0.0
28035,CO-ADD:0301667,6.75,c1(cc(ccc1N(CC2)CCO2)C(c3ccccc3)=O)[N+](=O)[O-],0.0
28036,CO-ADD:0302678,6.75,c1(C(O)C(O)c2nnc(S)n2c3ccccc3)nnc(S)n1c4ccccc4,0.0
28037,CO-ADD:0302537,6.75,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(cc5)F)cccc4,0.0
28038,CO-ADD:0302651,6.75,n1(cccc1C=O)c2ccccc2Br,0.0
28039,CO-ADD:0304273,6.75,N1(c2ccc(cc2)Cl)C(c3ccc(c4c3)OCO4)N(N=C1C(C)=O)c5ccc(cc5)OC,0.0
28040,CO-ADD:0303649,6.75,N1(c2cccc(C)c2C)NC(NC1=S)(CC)CC,0.0
28041,CO-ADD:0303061,6.75,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Cl)n1.[K+],0.0
28042,CO-ADD:0301993,6.75,c(c(ccc1n2c(C)ccc2C)NC3CCCC3)(c1)[N+](=O)[O-],0.0
28043,CO-ADD:0311271,6.75,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)C)CC(O)CN(CC(C)C)CC(C)C,0.0
28044,CO-ADD:0305752,6.75,c1(N(CC2)CCN2c3ccc(cc3)OC)nc(Cl)nc(Nc(cc4)ccc4OC)n1,0.0
28045,CO-ADD:0311662,6.75,n1c(c(ccc(c23)OCO2)c3)nnn1CC(O)=O,0.0
28046,CO-ADD:0305401,6.75,c1(NC(C)=O)sc2c(CCC(C(C)(C)C)C2)c1C(OCC)=O,0.0
28047,CO-ADD:0306210,6.75,N1(CCC(C(C)C1)=O)C(CC2(C)C)CC(N2)(C)C,0.0
28048,CO-ADD:0305544,6.75,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4ccccc4Cl,0.0
28049,CO-ADD:0312510,6.75,C(C1[C@@H]2C(=O)N(c3ccccc3)C1)c(c4[C@]2(C(=O)O)C)scc4,0.0
28050,CO-ADD:0312641,6.75,[C@H]1(C([C@H](C)[C@H](N([C@H]1c2oc(C)cc2)C(C(F)(F)F)=O)c3ccc(C)o3)=O)C,0.0
28051,CO-ADD:0312535,6.75,[C@@H]1(C2)O[C@](CN3S(=O)(=O)c4ccccc4)([C@@H]2C3)[C@H]([C@H]15)N=NN5c6ccccc6[N+]([O-])=O,0.0
28052,CO-ADD:0310875,6.75,c1(ccccc1O)C(=O)NCc2ccco2,0.0
28053,CO-ADD:0306009,6.75,N1(Cc2ccco2)\C(=N/N=C(\CC)/c3ccccc3)\SC(C)C1=O,0.0
28054,CO-ADD:0305931,6.75,c1(NC(COc2ccccc2C)=O)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
28055,CO-ADD:0319706,6.75,C1(C2c(cc3)ccc3C(F)(F)F)=C(CC(c4cccs4)CC1=O)Nc(c5N2C(CC)=O)cccc5,0.0
28056,CO-ADD:0319730,6.75,c(C#N)(c1OC)c(SC)sn1,0.0
28057,CO-ADD:0320082,6.75,c12c(ccc(C(N3c4ccccc4)=O)c1S3)C(=O)c(c5C2=O)cccc5,0.0
28058,CO-ADD:0319771,6.75,n1(c2c(nc1)cccc2)C(=O)c3ccc(Br)o3,0.0
28059,CO-ADD:0304602,6.75,c1(OCc2ccccc2Br)c(OC)cc(cc1I)C=O,0.0
28060,CO-ADD:0305227,6.75,C1(C2c(cc3OCC)cc(c3OC)Br)=C(CC(C)(C)CC1=O)N(C(CC(C)(C)CC4=O)=C24)Cc5ccccc5,0.0
28061,CO-ADD:0305196,6.75,c12c(cccc1)ncnc2SCCC(O)=O,0.0
28062,CO-ADD:0318674,6.75,c1(C2c(cc3)ccc3C(OC)=O)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
28063,CO-ADD:0319988,6.75,n1(c(C)c(nn1)\C(\C)=N/Nc(nnc(c23)c4c(cccc4)[nH]2)n3)c5nonc5N,0.0
28064,CO-ADD:0321101,6.75,n1(c2c(nc1)cccc2)C(C3CCCCC3)=O,0.0
28065,CO-ADD:0318964,6.75,N1(CC(=O)c2cccs2)c3c(N(CC)C1=N)cccc3,0.0
28066,CO-ADD:0319956,6.75,c(cc(OC)c(c1OC)OC)(c1Br)C(=O)Nc(cc2)ccc2Oc(cc3)ccc3Cl,0.0
28067,CO-ADD:0320160,6.75,C12=C(CCCC1=O)Nc(c3C2c4ccc(cc4OC)OC)ccc5c3ccc(n5)C,0.0
28068,CO-ADD:0319849,6.75,c1(c(C#N)c(SCC(c2ccccc2)=O)nc(C)c1C(=O)Nc3ccccc3OC)c4ccc(C)o4,0.0
28069,CO-ADD:0320294,6.74,c1(C2OCCO2)noc(cc(cc3SCc(cc4)ccc4Cl)[N+](=O)[O-])c13,0.0
28070,CO-ADD:0320277,6.74,n1(CC=C)c(SCC(=O)Nc(c(Cl)ccc2C(F)(F)F)c2)nnc1c3ccco3,0.0
28071,CO-ADD:0319300,6.74,c1(c[nH]nc1c2ccc(cc2)F)c3cc(C(O)=O)nc(ccc(cccc4)c45)c35,0.0
28072,CO-ADD:0321533,6.74,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])c2nccn2C,0.0
28073,CO-ADD:0321200,6.74,C1(=S)N(C)c(c2N1CCSc3nc(c4n3C5CCCCC5)cccc4)cccc2,0.0
28074,CO-ADD:0321272,6.74,S(=O)(=O)(CC(C12)CC(N1c3ccccc3)=O)C2,0.0
28075,CO-ADD:0321369,6.74,[nH]1c(C)c(c2c1c(C)ccc2F)CCNC(Cc(ccc(c3OCC)OCC)c3)=O,0.0
28076,CO-ADD:0324892,6.74,C(C#N)(C1c2ccc(cc2)OC(CCC)=O)=C(N)OC(CCCC3=O)=C13,0.0
28077,CO-ADD:0319745,6.74,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(NCCc3ccccc3)=O)n2)Cc4ccccc4F,0.0
28078,CO-ADD:0323406,6.74,C1(=O)Oc(c2N1CCCc3nnc(N)s3)cccc2,0.0
28079,CO-ADD:0323462,6.74,C(=CC(\C=C\c(ccc1c2cccc(F)c2)o1)=NC3=O)(C(F)(F)F)N3,0.0
28080,CO-ADD:0323961,6.74,S(NCCOC(C1)(C2)CC(CC2CC13)C3)(=O)(=O)c4ccc(c(OC)c4)OC,0.0
28081,CO-ADD:0319127,6.74,S(c1ccccc1)(=O)(=O)N2CCCC2C(=O)NCc(cc3)ccc3C(C)(C)C,0.0
28082,CO-ADD:0318715,6.74,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)C)c5ccc(cc5)OC,0.0
28083,CO-ADD:0320429,6.74,n1c(N2CCCCC2)nc(nc1N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)OCC(F)(F)F,0.0
28084,CO-ADD:0320430,6.74,c1(N2CCC(CC2)C(O)=O)nonc1N,0.0
28085,CO-ADD:0321165,6.74,C(F)(F)(F)\C(\c(cc1)ccc1N(CC)CC)=C(/C#N)\C#N,0.0
28086,CO-ADD:0321150,6.74,c12c(cccc1C(=O)N(C)C)C3C(C(c4ccc(cc4)Br)N2)CC=C3,0.0
28087,CO-ADD:0319357,6.74,S(NCCSc1nnc(SCSCCNS(c2ccccc2)(=O)=O)s1)(c3ccccc3)(=O)=O,0.0
28088,CO-ADD:0318943,6.74,N1(CCC(=O)Nc(cc2)c(Br)cc2[N+](=O)[O-])C(=O)c(c3C1=O)cccc3,0.0
28089,CO-ADD:0319519,6.74,c12c([nH]nc1c3ccccn3)OC(=C(C#N)C24c5c(NC4=O)cccc5)N,0.0
28090,CO-ADD:0321185,6.74,C1(c(cc2)ccc2N(CC)CC)(C(F)(F)F)NN(C(N)=C1C#N)c3ccccc3,0.0
28091,CO-ADD:0323412,6.74,n1(CC=C)c(SCC(=O)Nc2c(C)cc(cc2C)C)nnc1c(cccn3)c3,0.0
28092,CO-ADD:0321233,6.74,[n+]1([O-])cc(Cl)cc(Cl)c1NC(CC2(C)C)CC(N2)(C)C,0.0
28093,CO-ADD:0324875,6.74,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(cc3)ccc3OCc4ccccc4F)\C1=N,0.0
28094,CO-ADD:0324356,6.74,N1(CC(=O)Nc(c(C)cc(c2C(C)C)O)c2)C(=O)c3c(C(C)=N1)cccc3,0.0
28095,CO-ADD:0324412,6.74,C(C#N)(C1=O)=C(c2ccc(cc2)OC)N=C(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)N1,0.0
28096,CO-ADD:0323657,6.74,N(CCc(c1c([nH]2)cccc1)c2)(C(=O)c3ccc(cc3)NC(C)=O)C4(CCCCC4)C(=O)Nc5c(C)cccc5C,0.0
28097,CO-ADD:0320747,6.74,C1(c(cccc2)c2N3C(C)=O)(C(C#N)=C(N)OC(COC)=C1C(OC)=O)C3=O,0.0
28098,CO-ADD:0319232,6.74,N12C(S\C(=C/c(ccc3c4cc(Cl)c(cc4Cl)Cl)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
28099,CO-ADD:0324437,6.74,C(=N/OCc1ccccc1Cl)(/C(C)=Nc2c3cccc2)\C(C)=N3,0.0
28100,CO-ADD:0319472,6.73,n1(c2ccccc2)c(SCC(=O)NCc3ccco3)nnc1c4ccc(c(OC)c4)OC,0.0
28101,CO-ADD:0319568,6.73,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c(cccc4C(OC)=O)c4)o3,0.0
28102,CO-ADD:0319600,6.73,c1(c[nH]nc1C(=O)NCC(O)=O)[N+](=O)[O-],0.0
28103,CO-ADD:0319608,6.73,c1(cccc(nsn2)c12)S(NCCOC(CC(CC3C4)CC45)(C5)C3)(=O)=O,0.0
28104,CO-ADD:0324286,6.73,c12c(CCNC1c3ccccc3F)cc(c4c2)OCCO4.Cl,0.0
28105,CO-ADD:0319075,6.73,C1=C(NCCc(ccc(c2OCC)OCC)c2)C3(OC1=O)CCCCC3,0.0
28106,CO-ADD:0319173,6.73,C1(=Cc2c(OC1c3ccc(c(OCC)c3)OCC)ccc(Br)c2)[N+](=O)[O-],0.0
28107,CO-ADD:0319413,6.73,C1(=Cc(cccc2)c2OC1c3ccc(c(OC)c3)OC)[N+](=O)[O-],0.0
28108,CO-ADD:0323339,6.73,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(C)c4)c5ccc(cc5)F,0.0
28109,CO-ADD:0323163,6.73,c1(C2OCCO2)c3c(n(c4ccccc4)n1)cc(cc3Sc5ccccc5)[N+](=O)[O-],0.0
28110,CO-ADD:0323116,6.73,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(N(CCC(C3)(CC(CC34)CC5C4)C5)C1=S)CC(=O)Nc(cc6)ccc6OCCC,0.0
28111,CO-ADD:0323870,6.73,c1(noc(COc2cccc(Cl)c2Cl)n1)c3nonc3N,0.0
28112,CO-ADD:0320899,6.73,C(F)(F)(F)c(cn1)cc(c1NN)Cl,0.0
28113,CO-ADD:0324087,6.73,c1(SCC(=O)c2cccc(cccc3)c23)nc(C)cc(C)n1,0.0
28114,CO-ADD:0324847,6.73,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc3c4ccc(cc4)Cl)o3)\C2=N,0.0
28115,CO-ADD:0324790,6.73,c1(C(=O)Nc(cccc2C(F)(F)F)c2)scc(OCCO3)c13,0.0
28116,CO-ADD:0319463,6.73,C1(C)(O)C(C(OCC)=O)C(c(cc2)ccc2[N+](=O)[O-])NC(=S)N1,0.0
28117,CO-ADD:0319112,6.73,S(=O)(=O)(c1ccc(cc1)F)N(CCCC2C(N)=O)C2,0.0
28118,CO-ADD:0319057,6.73,c1(C(=O)NC(N23)(C)CCC2=O)c3c4c(cccc4)o1,0.0
28119,CO-ADD:0320258,6.73,c(c(ccc1[N+](=O)[O-])o1)(sc(c23)nc(c(Cl)c2C)C)c3N,0.0
28120,CO-ADD:0321392,6.73,C1(C2c3ccccc3)=C(CCCC1=O)Nc(ccc4c5ccc(n4)C)c25,0.0
28121,CO-ADD:0320904,6.73,c(NC1CC1)(nc(OCC(F)(F)F)nc2Nc(cc3)ccc3OC(F)(Cl)F)n2,0.0
28122,CO-ADD:0323325,6.73,N(c1c(cccc1)NC(CC(c2ccc(c(OC)c2)OC)CC3=O)=C34)(C(c5ccccc5)=O)C4c6cccc(Cl)c6,0.0
28123,CO-ADD:0324544,6.73,c12c(ccc(C(=O)Nc(cc3)ccc3C)c1SCC)C(=O)c(c4C2=O)cccc4,0.0
28124,CO-ADD:0323916,6.73,c12c(ccc(C(=O)Nc3cccc(Cl)c3)c1SC)C(=O)c(c4C2=O)cccc4,0.0
28125,CO-ADD:0323447,6.73,N1(c2ccc(cc2C)C)C(=O)CC(CS3(=O)=O)C1C3,0.0
28126,CO-ADD:0320890,6.73,c1(NC(c(cc2OC)cc(c2OC)OC)CC3C(F)(F)F)n3ncc1C(O)=O,0.0
28127,CO-ADD:0324562,6.73,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCCC(CC3CC4CC5C3)(C5)C4,0.0
28128,CO-ADD:0321538,6.73,c12c(C(c3ccccc3)SCC(=O)N1)c(nn2c4ccccc4)c5ccccc5,0.0
28129,CO-ADD:0318781,6.73,c1(NC(=O)c(ccc(c2Cl)Cl)c2)sc(c3c1C#N)CCC3,0.0
28130,CO-ADD:0320824,6.73,c(c1c(s2)CCC1)(C3=O)c2N=C(SCc4ccccc4F)N3c5ccccc5,0.0
28131,CO-ADD:0323624,6.73,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)Cl)=C(O)C(N2C)=O,0.0
28132,CO-ADD:0323664,6.73,c1(noc(Cn2c3c(nn2)cccc3)n1)c4nonc4N,0.0
28133,CO-ADD:0324828,6.73,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(cc3)ccc3OCCOCCOc(ccc(c4C)C)c4)\C1=N,0.0
28134,CO-ADD:0324548,6.73,N(CC(=O)N\N=C\c1c[nH]nc1c2ccc(cc2)F)(c(cccc3)c34)c(cccc5)c5C4=O,0.0
28135,CO-ADD:0323706,6.73,C(C(=O)NCc1ccco1)(NC2=O)=CC(N2)=O,0.0
28136,CO-ADD:0323341,6.73,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCO)c4ccc(cc4)F,0.0
28137,CO-ADD:0323142,6.73,c1(Oc2cccc(c2)NC(COc3ccc(cc3Cl)Cl)=O)nc(C)c(c(C)c1C#N)Cl,0.0
28138,CO-ADD:0324818,6.73,c1(OC(=O)C=C2C)c2c(c3s1)ccc(cccc4)c34,0.0
28139,CO-ADD:0321357,6.73,n1c(C)c(CC)c(c(cccc2C)c12)SCCC(O)=O,0.0
28140,CO-ADD:0324190,6.73,c12c(c(n[nH]1)c3ccc(cc3)C)C(N(c4ccc(cc4)F)C2=O)c5ccc(cc5)O,0.0
28141,CO-ADD:0318805,6.73,C1(NC(=O)c2ccc(c(OC)c2)OCc3c(cccc3Cl)Cl)=C(C)N(N(c4ccccc4)C1=O)C,0.0
28142,CO-ADD:0319508,6.73,c1(C2c3ccc(c(OC)c3)OC)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
28143,CO-ADD:0320385,6.73,[nH]1c(cccc2)c2c(CCCC(NCCOc3c(C)cccc3C)=O)c1,0.0
28144,CO-ADD:0323336,6.73,c12c(C(N(C)C(=O)N1C)=O)n(c3n2)CC(=NN3CCO)c4ccc(cc4)F,0.0
28145,CO-ADD:0323489,6.73,C(=N/c1ccccc1)(/SC=C2c3ccc(cc3)Cl)\N2N(CC4)CCN4C,0.0
28146,CO-ADD:0323217,6.73,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCOC(=O)Nc(ccc(c3Cl)Cl)c3,0.0
28147,CO-ADD:0323675,6.73,c1(sc2c3c(COC)cc(C)n2)c3N=NN(Cc4ccccc4)C1=O,0.0
28148,CO-ADD:0323039,6.73,n1(c2ccccc2)nnnc1SCC(=O)N3c4c(cccc4)Sc(ccc(Cl)c5)c35,0.0
28149,CO-ADD:0324223,6.73,C1(C(OCCSC)=O)=C(C)NC(=O)NC1c(cc2)ccc2C(F)(F)F,0.0
28150,CO-ADD:0323589,6.73,c1(nn(cn1)CNc(cc2)ccc2C(OCC)=O)[N+](=O)[O-],0.0
28151,CO-ADD:0319688,6.73,C1(C2c(cccn3)c3)=C(CC(c4ccc(cc4)OC)CC1=O)Nc(c5N2C(C)=O)cccc5,0.0
28152,CO-ADD:0320346,6.73,c1(n(C)c2c(cccc2)n1)n3nc(c4c3CC(C)(C)CC4=O)C,0.0
28153,CO-ADD:0320124,6.73,C1=C(NCCCn(ccn2)c2)C3(OC1=O)CCCCC3,0.0
28154,CO-ADD:0319573,6.73,n1(CC=C)c(SCc(cc(OCO2)c2c3)c3Cl)nnc1c(cccn4)c4,0.0
28155,CO-ADD:0319486,6.73,N1(CC(CC1C2)(C)CC2(C)C)C(=O)c3ccc(cc3)NC(=O)c4ccc(cc4Cl)Cl,0.0
28156,CO-ADD:0320267,6.73,c1(C#N)c(C)c(Cl)c(nc1SCc(cc2)ccc2[N+](=O)[O-])C,0.0
28157,CO-ADD:0321437,6.73,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/NCCN(CC3)CCN3C(=S)Nc(cc4)ccc4S(N)(=O)=O,0.0
28158,CO-ADD:0321461,6.73,c12n(c3c(cccc3)n1)cnc4c2non4,0.0
28159,CO-ADD:0323683,6.73,N1c(cccc2)c2C(OC1c3ccc(cc3)F)(CC)CC,0.0
28160,CO-ADD:0323723,6.73,c1(nc(C)cc2C)n2c(nn1)SC,0.0
28161,CO-ADD:0323807,6.72,c1(N(CC2)CCN2C34CC(CC(C5)C3)CC5C4)nc(OCC(F)(F)F)nc(NC(C)CC)n1,0.0
28162,CO-ADD:0323847,6.72,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])Cl)c1)NC(CC)C23CC4CC(CC(C4)C2)C3,0.0
28163,CO-ADD:0323048,6.72,c12c(CCNC1c3ccccc3F)cc(c(OCC)c2)OCC.Cl,0.0
28164,CO-ADD:0324140,6.72,S(=O)(=O)(c1ccc(c(OC)c1)Cl)Nc2ccccn2,0.0
28165,CO-ADD:0319852,6.72,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2Br)(C(=O)Nc3ccccc3OC)C1c4ccc(C)s4,0.0
28166,CO-ADD:0320540,6.72,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(N(CCc(ccc(c3OCC)OCC)c3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
28167,CO-ADD:0320534,6.72,c12c(CCNC1c3cccc(Oc4ccccc4)c3)cc(c(OCC)c2)OCC,0.0
28168,CO-ADD:0319014,6.72,N1(C(C)=O)C(C)(Cc(cc2)ccc2OC)OC(c(cc3)ccn3)=N1,0.0
28169,CO-ADD:0318669,6.72,C1(c2ccc(cc2Cl)Cl)N3N1CCC3,0.0
28170,CO-ADD:0320789,6.72,N1(c2ccc(cc2)F)C(=O)\C(=C/c3ccc(C)s3)\C(NC1=S)=O,0.0
28171,CO-ADD:0321455,6.72,N1(CCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)C(C)(O)C(OC1=O)(C)C,0.0
28172,CO-ADD:0323506,6.72,[nH](c(ccc(c1)OCc2ccccc2)c1c3CCNC(=O)c4cccc(Br)c4)c3C,0.0
28173,CO-ADD:0323220,6.72,S(=O)(=O)(N1CCc(c2C1CN3C(=O)c(c4C3=O)cccc4)cccc2)c5c(C)ccc(nsn6)c56,0.0
28174,CO-ADD:0323260,6.72,c12c(CCNC1c(c3)cc(c(O)c3C)C)cc(c(OCC)c2)OCC.Cl,0.0
28175,CO-ADD:0320131,6.72,C1(=C(C)NC(NC1=O)=O)S(=O)(=O)NCC(OCC)=O,0.0
28176,CO-ADD:0324816,6.72,[n+]1(CCCS(=O)(=O)[O-])c(cc(cc2)C#N)c2n(CC)c1C,0.0
28177,CO-ADD:0320641,6.72,C12(\C=C/c(ccc(c3OC)OC)c3)N(CC(=O)N1Cc4ccccc4)c5c(cccc5)C2(C)C,0.0
28178,CO-ADD:0320675,6.72,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c3ccccc3OC)c2C,0.0
28179,CO-ADD:0320015,6.72,c12c(ccc(C(NC)=O)c1[N+](=O)[O-])C(=O)c(c3C2=O)cccc3,0.0
28180,CO-ADD:0319888,6.72,c(NC(C)(C)C)(nc(NC)nc1Nc(cc2)ccc2OC(F)(F)F)n1,0.0
28181,CO-ADD:0323358,6.72,N1(CC(=O)Nc2ccc(c(cccn3)c23)Br)C(=O)c4c(C(C)=N1)cccc4,0.0
28182,CO-ADD:0323238,6.72,c1(Cl)nc(C)cc(C)c1NC(=O)Nc2ccccc2,0.0
28183,CO-ADD:0321020,6.72,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc(ccc(c2O3)OC3(F)F)c2,0.0
28184,CO-ADD:0324021,6.72,C1(C(=O)NC(CC2(C)C)CC(N2)(C)C)=Cc3c(OC1=O)ccc(Br)c3,0.0
28185,CO-ADD:0324368,6.72,N1(C)\C(=N\C)\S\C(=C/c(cn(n2)C(C)=O)c2c3ccc(cc3)F)\C1=O,0.0
28186,CO-ADD:0324392,6.72,n1(nc(n2)CC(OCC)=O)c2NC(C)=CC1=O,0.0
28187,CO-ADD:0320008,6.72,c1(C(N)=O)c(OC)c(Cl)c(nc1Cl)Cl,0.0
28188,CO-ADD:0321097,6.72,N1(CCc(cccc2)c12)C(=O)COc(ccc(c34)OCO3)c4,0.0
28189,CO-ADD:0318992,6.72,c1(O)c(cc(cc1C(C)(C)C)CN(C)C)C(C)(C)C,0.0
28190,CO-ADD:0320144,6.72,C12=C(CC(C)(C)CC1=O)Nc(ccc3c4cccn3)c4C2c5ccc(c(OC)c5)OC(C)=O,0.0
28191,CO-ADD:0323639,6.72,n1c(N)n[nH]c1CC(=O)N(C)C2(CCCCC2)C(=O)Nc3c(C)cccc3C,0.0
28192,CO-ADD:0323468,6.72,N1(CCCCCC(NCCc(c(cccc2C(F)(F)F)c2[nH]3)c3C)=O)C(=O)c4c(cccc4)C1=O,0.0
28193,CO-ADD:0319520,6.72,c1(C2c3cccc(F)c3)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
28194,CO-ADD:0323999,6.72,S(=O)(=O)(c1ccc(cc1)OCC)NC(CC2(C)C)CC(N2)(C)C,0.0
28195,CO-ADD:0323521,6.72,C1(NC(=O)c2ccc(c(OC)c2)OCc(cc3)ccc3Cl)=C(C)N(N(c4ccccc4)C1=O)C,0.0
28196,CO-ADD:0321055,6.72,n(c(N)cc(n1)N)c1SCCC(O)=O,0.0
28197,CO-ADD:0323513,6.72,C1(NC(COc2ccccc2[N+](=O)[O-])=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
28198,CO-ADD:0323619,6.72,C(NCC(C1)(C2)CC(C3)CC1CC23)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccc(cc4Cl)Cl,0.0
28199,CO-ADD:0324355,6.72,S(=O)(=O)(N(C)C)c(c(C)ccc1C(c(cccc2)c2C(N3CC(=O)NCc4ccccn4)=O)=N3)c1,0.0
28200,CO-ADD:0324395,6.72,S(=O)(=O)(Nc(cc1)ccc1OC(Cl)(F)F)c2cc(C)ccc2OC,0.0
28201,CO-ADD:0324843,6.71,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc3c4ccc(cc4Cl)Cl)o3)\C1=N,0.0
28202,CO-ADD:0319482,6.71,n1(c2ccccc2)c(COc(ccc(c3C)C)c3)nnc1S,0.0
28203,CO-ADD:0319865,6.71,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCc(c3c([nH]4)cccc3)c4,0.0
28204,CO-ADD:0320193,6.71,c12c(ccc(C(=O)Nc3cccc(Cl)c3)c1[N+](=O)[O-])C(=O)c(c4C2=O)cccc4,0.0
28205,CO-ADD:0320164,6.71,C1(C2c3ccc(cc3)OCc4ccccc4)=C(CCCC1=O)Nc(ccc5c6ccc(n5)C)c26,0.0
28206,CO-ADD:0321444,6.71,c1(SCC(=O)NCC(CC(CC2C3)CC34)(C4)C2)sc(c5n1)cccc5,0.0
28207,CO-ADD:0320780,6.71,c1(C2c3ccc(c(OC)c3)O)c([nH]nc1C45CC6CC(CC(C6)C4)C5)OC(N)=C2C#N,0.0
28208,CO-ADD:0320788,6.71,N1(c2ccc(c(Cl)c2)Br)CC(CC1=O)C(O)=O,0.0
28209,CO-ADD:0324238,6.71,c12c(n(cn1)CCC(=N)N(CC3)CCO3)C(N(C)C(=O)N2C)=O.Cl,0.0
28210,CO-ADD:0323218,6.71,N1(CCc(c2c([nH]3)ccc(Br)c2)c3C)C(C)(O)C(OC1=O)(C)C,0.0
28211,CO-ADD:0324699,6.71,c1(cc(OC)cc(OC)c1)C(=O)c(cc2)ccc2C(=O)Nc(c(C)cc(c3C(C)C)O)c3,0.0
28212,CO-ADD:0320793,6.71,N1(c2ccccc2Cl)C(=O)NC(\C(=C/c3ccc[nH]3)\C1=O)=O,0.0
28213,CO-ADD:0320905,6.71,c1(C(NCC=C)=O)c2c(cs1)CCCC2,0.0
28214,CO-ADD:0323719,6.71,C(=N/OCc(ccc(c1Cl)Cl)c1)(/C(C)=Nc2c3cccc2)\C(C)=N3,0.0
28215,CO-ADD:0323871,6.71,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c(c3c4cccc3)nnc4Nc5cc(C)ccc5C)c2,0.0
28216,CO-ADD:0323712,6.71,C(=C/C(=O)C(C)(C)C)(/N1)\C(=C\C(=O)C(C)(C)C)\Nc(cccn2)c12,0.0
28217,CO-ADD:0324312,6.71,c12c(nnc(SCC(=O)Nc3cccc(F)c3)n1)c4c(cccc4)n2C,0.0
28218,CO-ADD:0320974,6.71,n1(c2c(nn1)cc(cccc3)c3c2)c4cc(C#N)c(cc4[N+](=O)[O-])C#N,0.0
28219,CO-ADD:0321426,6.71,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/NCc3ccccc3Cl,0.0
28220,CO-ADD:0320870,6.71,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCC)c4ccccc4,0.0
28221,CO-ADD:0324185,6.71,N1(C(=O)\C(\SC1=N)=C/c(cc2OC)cc(c2OC(C)=O)Cl)c3nonc3NC(C)=O,0.0
28222,CO-ADD:0320573,6.71,c(C(O)=O)(c1c2cccc1)cc(n2)C3CC3,0.0
28223,CO-ADD:0319859,6.71,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NC3CCCCCC3,0.0
28224,CO-ADD:0320940,6.71,c1(C(O)=O)nonc1NCn2cnnn2,0.0
28225,CO-ADD:0324254,6.71,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCC,0.0
28226,CO-ADD:0324498,6.71,c1(NC(CCCCCN2C(=O)c(c3C2=O)cccc3)=O)sc(c4c1C#N)CCCC4,0.0
28227,CO-ADD:0321528,6.71,c1(c2cccc(Cl)c2Cl)nnc(cccc3Cl)n13,0.0
28228,CO-ADD:0324763,6.71,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)O)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
28229,CO-ADD:0323944,6.71,S(=O)(=O)(N(CC1)CCO1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(NCCc(ccc(c5OCC)OCC)c5)=O)=O)=N4)c2,0.0
28230,CO-ADD:0321077,6.71,c1(C2c(cc3OC)cc(c3OCC)OC)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
28231,CO-ADD:0324092,6.71,[N+](=O)([O-])c1ccc(cc1)CSc2nc(O)cc(N)n2,0.0
28232,CO-ADD:0323065,6.71,C1(=CC(=O)Nc(cc(c(c(C)[nH]2)C)c23)c1c3)C(F)(F)F,0.0
28233,CO-ADD:0323833,6.71,c1(c(C)nn(C)c1Cl)C2NCCc(cc(c(OCC)c3)OCC)c23.Cl,0.0
28234,CO-ADD:0323035,6.71,C1(OC(C)=O)(C#C)C(C2)CC(CC2CC13)C3,0.0
28235,CO-ADD:0324307,6.71,c1(N(CC2)CCO2)nc(Cn3nnc(c4ccc(cc4)C)n3)nc(N)n1,0.0
28236,CO-ADD:0323021,6.71,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3C45CC(CC6C4)CC(C6)C5)C1=O,0.0
28237,CO-ADD:0323805,6.71,C1(=Cc(c2OC1c(ccc(c34)OCO3)c4)cc(cc2Br)Br)[N+](=O)[O-],0.0
28238,CO-ADD:0318955,6.71,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(c(C)c4)C)c5ccc(cc5)Br,0.0
28239,CO-ADD:0320331,6.71,c1(ccc(cc1Cl)Cl)C(NCCOc2cc(C)ccc2C(C)C)=O,0.0
28240,CO-ADD:0319918,6.71,c1(C(NCCC(CC(CC2C3)CC34)(C4)C2)=O)cc(ccc1N(CC5)CCO5)[N+](=O)[O-],0.0
28241,CO-ADD:0320948,6.71,S(=O)(=O)(c1ccc(cc1)Cl)c2c(C)c(SCC(OC)=O)cc(c2)[N+](=O)[O-],0.0
28242,CO-ADD:0320750,6.71,C(/S\C(\C1=O)=C\c(ccc2c3ccccc3F)o2)(=N/C(CC)=O)\N1,0.0
28243,CO-ADD:0323822,6.71,c1(N(CC2)CCN2C34CC5CC(CC(C5)C3)C4)nc(NCCO)nc(Nc(cc6)ccc6OC(F)(F)F)n1,0.0
28244,CO-ADD:0323830,6.71,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3C)cc(c3O)C,0.0
28245,CO-ADD:0324464,6.71,C1(c2ccccc2)(CC1)NC(=O)N(CC3)CCN3Cc4csc(C)n4,0.0
28246,CO-ADD:0323329,6.71,N1(CC(=O)c2ccc(cc2)F)c3c(N(CC)C1=N)cccc3.Br,0.0
28247,CO-ADD:0321024,6.71,N1(C(c2ccccc2)CC(c3cccs3)=N1)C(=O)c4ccc(cc4)F,0.0
28248,CO-ADD:0319669,6.71,N(c1c(cccc1)NC(CC(c2ccc(cc2)C)CC3=O)=C34)(C(=O)C5CC5)C4c(cccn6)c6,0.0
28249,CO-ADD:0319789,6.71,c1(NC(COc2ccc(cc2Br)Cl)=O)sc(c(C)c1C(OCC)=O)C,0.0
28250,CO-ADD:0323582,6.71,C(NCCOCc1ccccc1)(=O)c(cccc2C(NCCOCc3ccccc3)=O)c2,0.0
28251,CO-ADD:0323770,6.71,N1(c2ccccc2C)Sc(c3C1=O)cccc3,0.0
28252,CO-ADD:0323826,6.71,[N+](=O)([O-])c(cc1)ccc1C2NCCc(cc(c(OCC)c3)OCC)c23.Cl,0.0
28253,CO-ADD:0323043,6.7,c12c(CCNC1c3ccccc3OC(F)F)cc(c(OCC)c2)OCC.Cl,0.0
28254,CO-ADD:0324259,6.7,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCc3ccco3,0.0
28255,CO-ADD:0324206,6.7,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(C)o4,0.0
28256,CO-ADD:0320598,6.7,[N+](=O)([O-])c1ccc(cc1)OCc2ccccc2,0.0
28257,CO-ADD:0320519,6.7,N1(CC2N(CCc(cccc3)c23)C1c4c[nH]nc4c5ccc(cc5)F)S(=O)(=O)c6ccc(c7c6cccn7)OC,0.0
28258,CO-ADD:0320830,6.7,[nH]1c(cccc2)c2c(CCCC(NCCOc(cc3)ccc3Cl)=O)c1,0.0
28259,CO-ADD:0320761,6.7,C1(C(F)(F)F)(C(F)(F)F)N=C(CC)N2C(C=C(C=C2C)C)=N1,0.0
28260,CO-ADD:0321441,6.7,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc2ccccc2)SCC,0.0
28261,CO-ADD:0321549,6.7,N1(CC(=O)N2CCCCC2)C(=O)C3C(CC(CC3)=O)C1=O,0.0
28262,CO-ADD:0321334,6.7,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c3ccccc3OCCOc(cc4)ccc4C)\C1=N,0.0
28263,CO-ADD:0323956,6.7,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4c(OC)ccc(OC)c4,0.0
28264,CO-ADD:0323092,6.7,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC(C3)(C4)CC(C5)CC3CC45)C(C)=O)C1=O,0.0
28265,CO-ADD:0324741,6.7,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5c(cccc5Cl)F)cccc4,0.0
28266,CO-ADD:0323133,6.7,c1(C(=O)n(ccn2)c2)c(Cl)c(Cl)c(nc1Cl)Cl,0.0
28267,CO-ADD:0321082,6.7,c1(C2c(cccn3)c3)c([nH]nc1C45CC6CC(CC(C6)C4)C5)OC(N)=C2C#N,0.0
28268,CO-ADD:0324005,6.7,S(=O)(=O)(c1ccc(c(OC)c1)Cl)NC(c2ccc(cc2)C)CC(OCC)=O,0.0
28269,CO-ADD:0319823,6.7,c1(NC(C2CCCC2)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
28270,CO-ADD:0318940,6.7,C(c1ccccc1)(CC2)(CCN2CCC(=O)Nc(cc3)ccc3C(OC)=O)C(OCC)=O,0.0
28271,CO-ADD:0320296,6.7,c1(C2OCCO2)noc(cc(cc3SC4CCCCC4)[N+](=O)[O-])c13,0.0
28272,CO-ADD:0321449,6.7,c1(c[nH]nc1c2ccc(cc2)F)C3C4=C(CCCC4=O)OC(CCCC5=O)=C35,0.0
28273,CO-ADD:0323828,6.7,c1(c2c(cs1)CCCC2)C(=O)N(CC3)CCN3c4ccccc4,0.0
28274,CO-ADD:0320834,6.7,[N+](=O)([O-])c1ccc(cc1NCc(cccn2)c2)N(CC3)CCN3CCO,0.0
28275,CO-ADD:0321427,6.7,c12c(ccc(C(=O)Nc(cc3)ccc3C)c1SC)C(=O)c(c4C2=O)cccc4,0.0
28276,CO-ADD:0321342,6.7,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c3cc(Br)ccc3OC)\C2=N,0.0
28277,CO-ADD:0324713,6.7,C(=O)(c1ccc(cc1F)F)NC(=O)Nc2cc([nH]n2)C,0.0
28278,CO-ADD:0324670,6.7,S(=O)(=O)(N(CC1)CCN1c2ccc(cc2)C)c3c(OC)ccc(Cl)c3,0.0
28279,CO-ADD:0323478,6.7,C(C(=O)c1ccc(cc1)OCC)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCO)=O,0.0
28280,CO-ADD:0321363,6.7,n1c(C)c(CCC)c(c(cccc2C)c12)SCCC(O)=O,0.0
28281,CO-ADD:0324471,6.7,c1(oc(c2n1)ccc(c2)NC(=O)C(F)(F)F)c3ccc(cc3O)NC(=O)C(F)(F)F,0.0
28282,CO-ADD:0321485,6.7,C1(C)(Cc(cc2)ccc2Br)C(=O)OC(C(C)(C)C1=O)c3ccc(cc3)Br,0.0
28283,CO-ADD:0321327,6.7,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OC)OCCOCCOc(cc4)ccc4C)c3)\C1=N,0.0
28284,CO-ADD:0324521,6.7,N1(c2ccc(cc2)OC(F)(F)F)C(=O)c(c3C1=O)ccc(OC)c3OC,0.0
28285,CO-ADD:0321225,6.7,C1(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2c3ccc(cc3)OC(F)(F)Cl,0.0
28286,CO-ADD:0321194,6.7,[nH]1c(cccc2)c2c(CCNC(=O)c3c(cccc3F)F)c1C,0.0
28287,CO-ADD:0319258,6.7,c1(C2c3cccc(c3)OC(=O)N(CC4)CCO4)c([nH]nc1c5ccc(c(OC)c5)OCC)OC(N)=C2C#N,0.0
28288,CO-ADD:0319842,6.7,C1(=Cc2c(OC1c3ccc(c(OC)c3)OCC)ccc(Br)c2)[N+](=O)[O-],0.0
28289,CO-ADD:0320285,6.7,c1(C(OCC)=O)sc(c2c1n3cccc3)cc(cc2SCC(C)C)[N+](=O)[O-],0.0
28290,CO-ADD:0324375,6.7,N1(CCCCCC(=O)N[C@@]([H])(Cc2ccccc2)C(OCC)=O)C(=O)c3c(cccc3)C1=O,0.0
28291,CO-ADD:0318915,6.7,c1(C2c3ccc(cc3)F)c([nH]nc1c4ccc(cc4)Cl)OC(N)=C2C#N,0.0
28292,CO-ADD:0319149,6.7,c1(NC(CSc2[nH]c(c3n2)ccc(C)c3)=O)nonc1N,0.0
28293,CO-ADD:0319485,6.7,C(NC)(=S)NNC(COc(ccc(c1C)C)c1)=O,0.0
28294,CO-ADD:0320215,6.7,c12c(CCNC1c3ccccc3C(F)(F)F)cc(c(OCC)c2)OCC,0.0
28295,CO-ADD:0319236,6.7,c1(nnc(S)n1c2ccccc2)c3ccoc3C,0.0
28296,CO-ADD:0324729,6.7,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5cc(F)ccc5F)cccc4,0.0
28297,CO-ADD:0324473,6.69,c1(c2c(cs1)CCCC2)C(=O)Nc3ccccc3C#N,0.0
28298,CO-ADD:0319255,6.69,c12c([nH]nc1c3cccs3)OC(=C(C#N)C24c5c(NC4=O)cccc5)N,0.0
28299,CO-ADD:0324862,6.69,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c3ccccc3C(F)(F)F)\C1=N,0.0
28300,CO-ADD:0319819,6.69,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)CSc4[nH]ncn4)cc(cc3)OC,0.0
28301,CO-ADD:0320613,6.69,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2F)nnc1c(cccn3)c3,0.0
28302,CO-ADD:0319701,6.69,C1(=C(CC(c2ccc(cc2)Cl)CC1=O)Nc(c3N4C(CCCCC)=O)cccc3)C4c5cccc(c5)OC(CCCCC)=O,0.0
28303,CO-ADD:0324903,6.69,S(NCCOC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4c(C)cc(c(OC)c4)C,0.0
28304,CO-ADD:0324074,6.69,c1(cc2c(cc1NC(=O)c3cccc(Cl)c3)OCCO2)C(=O)c4ccccc4Cl,0.0
28305,CO-ADD:0318931,6.69,N1(c2ccc(cc2)Cl)C(=O)\C(\SC1=N)=C\c(cc3)ccc3OCc4ccccc4F,0.0
28306,CO-ADD:0318787,6.69,c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc(c3c1C#N)CCC3,0.0
28307,CO-ADD:0320490,6.69,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCO3)n2)CC(=O)C45CC6CC(CC(C6)C4)C5,0.0
28308,CO-ADD:0332172,6.69,C(=O)(c1cccc(Br)c1)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
28309,CO-ADD:0318711,6.69,c1(n(CC(=NN1C(C)=O)c2ccc(cc2)OC)c(c34)C(=O)N(C(=O)N3C)C)n4,0.0
28310,CO-ADD:0326125,6.69,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2c(OC)ccc(Cl)c2,0.0
28311,CO-ADD:0329786,6.69,C12=C(CC(C(C(OC)=O)C1=O)C)Nc(c3NC2c4ccccc4F)cccc3,0.0
28312,CO-ADD:0327151,6.69,N1C2(C)C(CCCC2)c3c(cccc3)C1=O,0.0
28313,CO-ADD:0327167,6.69,[nH](c(ccc(c1)OC)c1c2CCNCc3ccc(c4n3)cccc4)c2C,0.0
28314,CO-ADD:0326492,6.69,C(C(c1ccccc1)=O)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2c4ccc(cc4)OCC(O)=O)=O,0.0
28315,CO-ADD:0329599,6.69,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3c(OC)ccc(Cl)c3,0.0
28316,CO-ADD:0328936,6.69,c1(O)c(cccc1CNCC2NCCc(cccc3)c23)OCC.Cl,0.0
28317,CO-ADD:0326285,6.69,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCOC)C45CC6CC(CC(C6)C4)C5,0.0
28318,CO-ADD:0328941,6.69,C(=O)(Nc(ccc(c1Cl)Cl)c1)C(C2CCCO2)CC(O)=O,0.0
28319,CO-ADD:0328966,6.69,C1(O)(C#C)C(C)CN(CC1C)C,0.0
28320,CO-ADD:0327954,6.69,C(OC)(F)(C(F)(F)F)C(=O)Nc1c(cccc1Cl)Cl,0.0
28321,CO-ADD:0329963,6.69,c1(ccc(\C=C\C(=O)Nc(cc2)ccc2CC#N)o1)[N+](=O)[O-],0.0
28322,CO-ADD:0329891,6.69,C(C#N)(=C1C)C(=O)N(N=C1C(O)=O)c2ccc(cc2)F,0.0
28323,CO-ADD:0328182,6.69,c1(c(C)c(cc(C(C)C)c1O)NC(=O)c2ccc(cc2)OC)S(=O)(=O)c3ccc(cc3)OC,0.0
28324,CO-ADD:0329206,6.69,S(=O)(=O)(c1cccc(cccc2)c12)N(CC3)CCN3c4ccc(c(Cl)c4)C,0.0
28325,CO-ADD:0332003,6.69,N(C(=O)C=C(N1)N)=C1SCCOc(cc2)ccc2OC,0.0
28326,CO-ADD:0326689,6.69,C1(C(CCC)C(N)=O)=NC2(Cc(cccc3)c13)CCCCC2,0.0
28327,CO-ADD:0326737,6.69,C1(c2ccccc2)(CC1)NC(=O)c(cc3)ccc3C(=O)c4cc(OC)cc(OC)c4,0.0
28328,CO-ADD:0326644,6.69,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)NCc(cccn4)c4)n2,0.0
28329,CO-ADD:0326789,6.69,N1(c2ncccn2)C(=O)C(CC1=O)Cc3ccccc3,0.0
28330,CO-ADD:0326021,6.69,c1(sc(cn1)CN(CC2)CCO2)NC(OC)=O,0.0
28331,CO-ADD:0326429,6.69,C12(C(OC)=O)C(C1(CC)C(c3ccccc3)=O)c4c(ccc(Br)c4)OC2=O,0.0
28332,CO-ADD:0326518,6.69,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)F,0.0
28333,CO-ADD:0326846,6.69,n1nc(oc1c(cc2)ccc2C(OCC)=O)COc3cccc(C)c3,0.0
28334,CO-ADD:0326630,6.69,c1(C(=O)N2c3ccc(cc3)OC)c(sc(COC(C(C)C)C4)c14)n(c25)cnn5,0.0
28335,CO-ADD:0326551,6.69,n1c(c(cc2)ccc2[N+](=O)[O-])nnn1CNc3ccccc3,0.0
28336,CO-ADD:0327673,6.69,c1(n2)c(C(N(C)C(=O)N1C)=O)n(c2N(CC3)CCO3)C(CC)C(c4ccccc4)=O,0.0
28337,CO-ADD:0328266,6.69,N12C(SC(C3CCCCC3)=N1)=NC(=O)\C(=C\c(ccc4c(cc5[H])ccc5C(O)=O)o4)\C2=N,0.0
28338,CO-ADD:0329506,6.69,C(=O)(N(CC1)CCN1c2ccc(c(C)c2)C)c(cc3OC)cc(c3OC)OC,0.0
28339,CO-ADD:0327139,6.69,N(c1ccc(cc1)Cl)(CC(=O)c2ccc(cc2)OC)C3=NCCC([H])(C)CC3.Br,0.0
28340,CO-ADD:0326256,6.69,CCOC(=O)c1c(N)nn([C@H]2CC(=O)[C@H](O3)O[C@@H]2C3)c1.CCOC(=O)c4c(N)nn([C@@H]5[C@@H](C6)O[C@H](C(O)(O)C5)O6)c4,0.0
28341,CO-ADD:0332035,6.69,c1(cc(OC)ccc1OC)C(=O)c(cc2)ccc2C(=O)NC(CC3(C)C)CC(N3)(C)C,0.0
28342,CO-ADD:0332427,6.69,n1(c2c(s3)cccc2)c3nnc1SCc4ccc(cc4Cl)Cl,0.0
28343,CO-ADD:0326649,6.69,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc4sc(c5c4C(OCC)=O)CCCCC5)n2,0.0
28344,CO-ADD:0326753,6.69,c(C(=O)c1cccs1)(cn(n2)c3ccccc3)c2c4ccccc4,0.0
28345,CO-ADD:0326134,6.68,n1(c2ccccc2)nnnc1SCc(cc3)ccc3[N+](=O)[O-],0.0
28346,CO-ADD:0326046,6.68,C12=C(CC(C)(C)CC1=O)Nc(ccc(cccc3)c34)c4C2c(ccc(c5Br)N(C)C)c5,0.0
28347,CO-ADD:0326430,6.68,C12(C(OC)=O)C(C1(CC)C(=O)c3ccc(cc3)F)c4c(ccc(Br)c4)OC2=O,0.0
28348,CO-ADD:0326168,6.68,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2OC)OC(N3CCCCC3)=N1,0.0
28349,CO-ADD:0326432,6.68,c1(C(NCCCC(O)=O)=O)cc(oc1C)CC(C)C,0.0
28350,CO-ADD:0326215,6.68,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c3ccccc3)\NC(=O)c4ccc(cc4)OCC(C)C)c1C,0.0
28351,CO-ADD:0329339,6.68,C(=C/c(ccc1c(cc2)c(C)cc2[N+](=O)[O-])o1)(/C3=O)\C(=O)OC(c4ccccc4)O3,0.0
28352,CO-ADD:0327685,6.68,N1(CC)\C(=N/CC)\S\C(=C\c(ccc(c23)OCO2)c3)\C1=O,0.0
28353,CO-ADD:0328775,6.68,[n+]1([O-])cc(Cl)cc(Cl)c1N(CC2)CCN2C(=O)NS(=O)(=O)Oc3ccccc3F,0.0
28354,CO-ADD:0328326,6.68,c1(C(C)=O)c(C)n(c(C)c1C(C)=O)CCc(c2c([nH]3)cccc2)c3,0.0
28355,CO-ADD:0328615,6.68,c1(n2)c(ccc(COC(=O)c(cc3C)c4c(n3)cccc4)c1)no2,0.0
28356,CO-ADD:0328209,6.68,S(=O)(=O)(c1ccc(cc1)Cl)c2cc(cc(C)c2O)NS(c3ccccc3)(=O)=O,0.0
28357,CO-ADD:0327251,6.68,n1c(SCc(cc2)ccc2F)nsc1NC(=O)c3cc(F)c(cc3Cl)F,0.0
28358,CO-ADD:0332557,6.68,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCN4c5ccccc5OC,0.0
28359,CO-ADD:0332222,6.68,C1(C(OCCSCC)=O)=C(C)NC(NC1c2ccccc2C)=O,0.0
28360,CO-ADD:0331774,6.68,C(C(OCC)=O)(C(c(ccc(c12)OCO1)c2)N3)=C(CCC)N(C3=O)C,0.0
28361,CO-ADD:0332598,6.68,c1(cc(C)c(cc1NC(=S)NC(=O)c2cc(c3o2)cccc3)C)[N+](=O)[O-],0.0
28362,CO-ADD:0328445,6.68,C12(C3(O)c4c(cccc4)C1(O)O)C(C(C(=O)N2CCCC)=O)=C(O3)c5ccc(cc5)Cl,0.0
28363,CO-ADD:0328861,6.68,c12c(CCNC1c3cccc(c3)OC(F)(F)F)cc(c(OCC)c2)OCC.Cl,0.0
28364,CO-ADD:0328414,6.68,c12c(C(c(ccc(c3COC)OC)c3)SCC(=O)N1)c(nn2c4ccccc4)c5ccccc5,0.0
28365,CO-ADD:0326078,6.68,c(ncc(c1SC(=S)N(CC2)CCO2)Cl)(C(Cl)(Cl)Cl)c1Cl,0.0
28366,CO-ADD:0326470,6.68,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)NC4CCCCCCC4)n2,0.0
28367,CO-ADD:0326815,6.68,n1(c2c(C)cccc2C)nnnc1C(NCCc(c3c([nH]4)cccc3)c4C)c5ccccc5,0.0
28368,CO-ADD:0326247,6.68,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)NCC(O)c3ccccc3,0.0
28369,CO-ADD:0329763,6.68,C1(C(F)(F)F)(NC(=O)c2cccc(OC)c2)C(=O)N(C(=O)N1)CC(C)C,0.0
28371,CO-ADD:0327491,6.68,Cc(c(Cl)c1)ccc1N(N=NN2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
28372,CO-ADD:0329458,6.68,c(cc(cc1[N+](=O)[O-])C(O)(C(F)(F)F)C(F)(F)F)([N+](=O)[O-])c1NCCCC,0.0
28373,CO-ADD:0328639,6.68,C(=O)(Nc(cc1)ccc1CC#N)c(ccc(c2Cl)Cl)c2,0.0
28374,CO-ADD:0329167,6.68,C(C(O)=O)(=CN1CC)C(=O)c(c12)cnc(N(CC3)CCN3C(=S)Nc(c(Cl)ccc4C(F)(F)F)c4)n2,0.0
28375,CO-ADD:0327833,6.68,c(C#N)(c1C2CCCCC2)c(SCCC#N)nc(N)c1C#N,0.0
28376,CO-ADD:0326872,6.68,n1(N)c(CSc2oc(c3n2)cccc3)nnc1CSc4oc(c5n4)cccc5,0.0
28377,CO-ADD:0328560,6.68,C(C#N)(C(C(CCC=C1)C1)c(ccc(c2)OCc3ccccc3)c2O4)=C4N,0.0
28378,CO-ADD:0326472,6.68,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(N)=O)n2,0.0
28379,CO-ADD:0332255,6.68,c12n(c3c(cccc3)nn1)c(c(C(N4C)=O)c2N(C)C4=O)c5ccc(cc5)OC,0.0
28381,CO-ADD:0318958,6.68,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)OC)n1Cc5ccccn5,0.0
28382,CO-ADD:0318878,6.68,N(CC1)(CCN1C)c2ccc(cc2F)C(CCC)=O,0.0
28383,CO-ADD:0318759,6.68,C(CSCC(CSCC(=O)Nc(ccc(c12)cccc1)c2)=O)(=O)Nc(ccc(c34)cccc3)c4,0.0
28384,CO-ADD:0328878,6.68,c12c(ccc(C(=O)Nc(cc3)ccc3OC(F)(F)Cl)c1[N+](=O)[O-])C(=O)c(c4C2=O)cccc4,0.0
28385,CO-ADD:0326388,6.68,c1(c(Cl)cc(nc1Cl)Cl)C(=O)Nc2ccccc2,0.0
28386,CO-ADD:0329627,6.68,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)(=O)(=O)c3ccc(c(OC)c3)OC,0.0
28387,CO-ADD:0328483,6.68,n1(CC(=O)N(Cc2ccco2)C(C)(CC)C(=O)Nc(cc3)ccc3OC)nnnc1N,0.0
28388,CO-ADD:0328507,6.68,S(NCC)(=O)(=O)c1ccc(c(c1C)n2cnnn2)C,0.0
28389,CO-ADD:0326863,6.68,C1(c(cc2)ccc2C(F)(F)F)(Nc(c3N1S(=O)(=O)c4ccc(cc4)Cl)cccc3)OS(=O)(=O)c5ccc(cc5)Cl,0.0
28390,CO-ADD:0326695,6.68,c1(sc2c(c(C)cc(C)n2)c1N)c3nc(N)nc(N(CC4)CCO4)n3,0.0
28391,CO-ADD:0328164,6.68,N1(C(=O)Cn2nnc(c3ccc(cc3)C)n2)c4c(C(CN(C)CC5)C15)cc(C)cc4,0.0
28392,CO-ADD:0328068,6.68,S(=O)(=O)(NC(CC1(C)C)CC(N1)(C)C)c2ccc(c(cccc3)c23)OC,0.0
28393,CO-ADD:0327692,6.68,C1(C2=O)C(C(C=C3)OC13CO)C(N2c(cc4)ccc4C(C)=O)=O,0.0
28394,CO-ADD:0327252,6.67,C1(Cc(cccc2)c2N3C1CN(C)CC3)(C(=O)N(C)C(N4C)=O)C4=O,0.0
28395,CO-ADD:0329482,6.67,S(=O)(=O)(N(CC1)CCN1c2ccc(cc2)C)c3c(C)cc(cc3C)C,0.0
28396,CO-ADD:0330002,6.67,C(O1)(C2=O)C(C(N1c3ccccc3)c4ccc(cc4)OC)C(N2c5ccc(cc5)C#N)=O,0.0
28397,CO-ADD:0326147,6.67,N1(CCc2ccccc2)C(=O)\C(=C/Nc(cc3)ccc3C(OCCN(CC)CC)=O)\C(NC1=O)=O,0.0
28398,CO-ADD:0327188,6.67,n1(c2c(nc1C(F)(F)F)cccc2)CC(=O)N3CCCc(cccc4)c34,0.0
28399,CO-ADD:0321104,6.67,n1(C(=O)COc(cc2)cc(c2[N+](=O)[O-])C)c3c(nc1)cccc3,0.0
28400,CO-ADD:0319359,6.67,N1(CCc2ccccc2)C(=O)C(N(Cc3ccco3)C1=S)CC(=O)Nc(cc4)ccc4F,0.0
28401,CO-ADD:0318864,6.67,N1(Cc(cc2)ccc2OC)\C(=N\c(cc3)ccc3Cl)\SC(C(=O)Nc(cc4)ccc4F)CC1=O,0.0
28402,CO-ADD:0325956,6.67,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)NC3=C1C(=O)NC(N3CCc(ccc(c4OCC)OCC)c4)=O,0.0
28403,CO-ADD:0327455,6.67,N1(C(=O)\C(\SC1=N)=C\c(c(cccc2)c2n3Cc(ccc(c4Cl)Cl)c4)c3)c5nonc5NC(C)=O,0.0
28404,CO-ADD:0326317,6.67,C(NCCC(C1)(CC2CC1CC3C2)C3)(C(F)(F)F)(C(F)(F)F)NC(c4ccccc4)=O,0.0
28405,CO-ADD:0329459,6.67,[n+]1(CC)c(ccc(c2)F)c2n(CC)c1C,0.0
28406,CO-ADD:0330035,6.67,[N+](=O)([O-])c1cccc(c1)C(CC(O)=O)NC(=O)c(cc2)ccc2C(C)(C)C,0.0
28407,CO-ADD:0329644,6.67,n12c(S\C(=C/c(ccc3c4ccc(cc4)OC(F)(F)F)o3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
28408,CO-ADD:0328763,6.67,N1=C(CSc(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3)c(c4CC1(C)C)cccc4,0.0
28409,CO-ADD:0328779,6.67,C1(=NC(N)=CC2=O)N2CCCS1,0.0
28410,CO-ADD:0326671,6.67,c1(c2ccccc2)cc(c3ccc(cc3)OCc4ccccc4F)nc(ccc(cccc5)c56)c16,0.0
28411,CO-ADD:0326392,6.67,n1(c(C)c(nn1)C(C)=O)c2nc(OCC)nc(N(CC3)CCO3)n2,0.0
28412,CO-ADD:0328750,6.67,c1(C(N)=O)c(C)c(Cl)c(nc1Oc2cc(OC)cc(OC)c2)C,0.0
28413,CO-ADD:0328487,6.67,C(=O)(C(c1ccc(cc1)Cl)N(CCC)C(=O)c(cc2)ccc2n3cnnn3)Nc4c(C)cccc4C,0.0
28414,CO-ADD:0329480,6.67,S(=O)(=O)(c(cc1)ccc1C2CCCCC2)NCc(ccc3C(OCC)=O)o3,0.0
28415,CO-ADD:0329810,6.67,N(C(Nc1ccc(cc1OC)OC)=NN=C2C(C)(C)C)C2=O,0.0
28416,CO-ADD:0328292,6.67,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)N(CC3)CCN3c4ccc(cc4)C,0.0
28417,CO-ADD:0328124,6.67,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2[N+](=O)[O-])NC(CC)C34CC(CC(C5)C3)CC5C4,0.0
28418,CO-ADD:0327707,6.67,c(nnn1C23CC(CC(C4)C2)CC4C3)(n1)c5n[nH]cc5[N+](=O)[O-],0.0
28419,CO-ADD:0328540,6.67,c1(c2ccccc2OC)nnc(c(cc3)ccn3)o1,0.0
28420,CO-ADD:0327184,6.67,n12c(c(c(c3ccccc3)c1C(=S)Nc(cc4)ccc4C)CCCC5)n5c(c6ccc(cc6)C)n2,0.0
28421,CO-ADD:0327408,6.67,C(=C/c(cc1OC)cc(c1OC)Cl)(/C(=O)NN2c3ccccc3)\C2=O,0.0
28422,CO-ADD:0325941,6.67,S(=O)(=O)(c1ccc(cc1OC)Cl)N(CC2)C(C)CN2S(=O)(=O)c3ccc(cc3OC)Cl,0.0
28423,CO-ADD:0326818,6.67,N(C(C)(C)Cc(c12)cc(c(OC)c1)OC)=C2CCC.I,0.0
28424,CO-ADD:0326706,6.67,c12c(C(=O)C=CC=C1OCC)c(n(C)c2C)C,0.0
28425,CO-ADD:0326699,6.67,c12c(ccc(C(=O)Nc3ccccc3)c1SCCO)C(=O)c(c4C2=O)cccc4,0.0
28426,CO-ADD:0329653,6.67,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3OC)cc(c3OCc4ccccc4F)OC,0.0
28427,CO-ADD:0330037,6.67,C1(C(=O)NC(C)(CC)C#C)=Cc(cccc2OC)c2OC1=O,0.0
28428,CO-ADD:0326620,6.67,n(C(CCCCCN1C(=O)c(c2C1=O)cccc2)=O)(c(N)nc3C(F)(F)F)n3,0.0
28429,CO-ADD:0328756,6.67,c1(C(N)=O)c(Cl)cc(nc1Cl)C,0.0
28430,CO-ADD:0328668,6.67,c1(C(OC)=O)c(cc(oc(c2C(OC)=O)N)c2c3c(cccc4C(F)(F)F)c4)c3oc1N,0.0
28431,CO-ADD:0329172,6.67,C(=O)(c1ccccn1)Nc(cc2)ccc2CC#N,0.0
28433,CO-ADD:0328632,6.67,N1(C(=O)c2ccco2)N3C(=NC1=S)C=CC=C3C,0.0
28434,CO-ADD:0331097,6.67,c1(c2ccc(cc2)OC)n(CCOCC)c3c(cccc3)n1,0.0
28435,CO-ADD:0332163,6.67,C(=O)(Oc1ccccc1)Nc(cc2)ccc2CC#N,0.0
28436,CO-ADD:0332283,6.67,C(=O)(c1ccc(cc1)F)NC(c2ccc(cc2)OCC)CC(O)=O,0.0
28437,CO-ADD:0330919,6.67,c12c(NC(c3ccccc3[N+](=O)[O-])N(c4ccccc4)C1=O)c(c5s2)c(COC)cc(C)n5,0.0
28438,CO-ADD:0319976,6.67,c1(C2c(cccn3)c3)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
28439,CO-ADD:0325957,6.67,C(C(F)(F)F)(C(F)(F)F)(NC1=O)N=C(N12)c(c(C)cc(n3)C)c3N2,0.0
28440,CO-ADD:0325960,6.67,C(NCCOC(CC1CC2CC3C1)(C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4cccc(F)c4,0.0
28441,CO-ADD:0328911,6.66,c1(nc(c2n1Cc(ccc(c3OCC)OCC)c3)cccc2)c4nonc4NC(C)=O,0.0
28442,CO-ADD:0328151,6.66,S(=O)(=O)(N(CC1)CCC1C(=O)Nc2cccc(Cl)c2)c3ccc(c4c3cccn4)OC,0.0
28443,CO-ADD:0328368,6.66,c1(NC(=O)c(cccc2S(=O)(=O)NCc3ccccc3)c2)sc(c4c1C#N)CC(CC4)C,0.0
28444,CO-ADD:0328968,6.66,n(ccn1)(CC(O)c2ccccc2)c1,0.0
28445,CO-ADD:0328880,6.66,c1(SCC(NCCOC(C2)(CC3CC2CC4C3)C4)=O)[nH]c(c5n1)ccc(C)c5,0.0
28446,CO-ADD:0328441,6.66,S(=O)(=O)(Nc(cc1)ccc1CC(O)=O)c2c(OC)ccc(Cl)c2,0.0
28447,CO-ADD:0329025,6.66,C1(C2=O)C(C(NC1(C(O)=O)Cc(c3c([nH]4)cccc3)c4)c5cccc(OC)c5O)C(N2c6ccc(cc6)OC)=O,0.0
28448,CO-ADD:0328105,6.66,C(CN(CC)CC)(=O)NC(C)(C)Cc(cc1)ccc1O,0.0
28449,CO-ADD:0328812,6.66,S(=O)(=O)(Oc1ccc(cc1F)F)NC(=O)Nc2cc(on2)C,0.0
28450,CO-ADD:0328732,6.66,N1=C(CCCCC1)NCCC(O)=O,0.0
28451,CO-ADD:0329473,6.66,c1(sc(c2n1)cccc2)SC3O[C@H](COC(C)=O)[C@H]([C@H](OC(C)=O)[C@H]3OC(C)=O)OC(C)=O,0.0
28452,CO-ADD:0329481,6.66,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c(cc3)ccc3C4CCCCC4,0.0
28453,CO-ADD:0329710,6.66,c(SCC(=O)N(C)c1ccc(cc1)OC(F)(F)Cl)(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3,0.0
28454,CO-ADD:0329192,6.66,n1c(c2ccco2)onc1c3ccc(Br)o3,0.0
28455,CO-ADD:0320357,6.66,C1(=Cc2c(ccc(cccc3)c23)OC1c4ccc(c(OC)c4)OCC)[N+](=O)[O-],0.0
28456,CO-ADD:0326000,6.66,n1(CC(O)=O)nnnc1SCC(=O)Nc(cccc2[N+](=O)[O-])c2,0.0
28457,CO-ADD:0326001,6.66,S(=O)(=O)(N(C)C)N(c1ccccc1)Cc(ccc(c2[N+](=O)[O-])OC)c2,0.0
28458,CO-ADD:0327221,6.66,c1(cccc(cccc2)c12)CC(NCCOc3ccccc3Cl)=O,0.0
28459,CO-ADD:0328432,6.66,c1(O2)c(cc(O)cc1c3ccc(c(Cl)c3)Cl)SC2=O,0.0
28460,CO-ADD:0327186,6.66,N1(c2ccc(cc2)F)C(c3ccccc3)C(=C(Nc(cc4)ccc4F)C1=O)CC(O)=O,0.0
28461,CO-ADD:0326536,6.66,N(CC1)(CCN1CC2OCc3c(cccc3)CO2)CC4OCc5c(cccc5)CO4,0.0
28462,CO-ADD:0328962,6.66,n1(c2ccccc2)ncc(C(O)C(O)C(CO)O)n1,0.0
28463,CO-ADD:0326089,6.66,c(nnc1c2ccc(cc2Cl)Cl)(o1)c3c(OC)cc(c4c3)cccc4,0.0
28464,CO-ADD:0328789,6.66,n1(c2ccccc2)nnnc1SCc(ccc(c3n4)no4)c3,0.0
28465,CO-ADD:0329798,6.66,N1(\N=C\c2ccccc2Cl)C(C)=NN=C(c3ccccc3)C1=O,0.0
28466,CO-ADD:0330070,6.66,c1(C(=O)NCc(cc2)ccc2S(N)(=O)=O)scc(OCCO3)c13,0.0
28467,CO-ADD:0329010,6.66,N1(Cc2ccccc2)C(=O)c3c(C(c4cccs4)=C1N)ccc(c3)[N+](=O)[O-],0.0
28468,CO-ADD:0329018,6.66,C1(c2c(N3CC(=O)N(CC)CC)cccc2)(NC(C(C(N4Cc5ccccc5)=O)C1C4=O)Cc(c6c([nH]7)cccc6)c7)C3=O,0.0
28469,CO-ADD:0328930,6.66,n1(N)c(CC)nnc1N\N=C\c2c[nH]nc2c3ccc(cc3)F.Cl.Cl,0.0
28470,CO-ADD:0328187,6.66,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)c(C)cc(NC(c3ccccc3)=O)c2C(C)C,0.0
28471,CO-ADD:0328203,6.66,S(=O)(=O)(c1ccc(cc1)OC)c2cc(cc(C(C)C)c2O)NS(c3ccccc3)(=O)=O,0.0
28472,CO-ADD:0328211,6.66,S(=O)(=O)(c1ccc(cc1)OC)c2cc(cc(C)c2O)NS(=O)(=O)c3ccc(cc3)OC,0.0
28473,CO-ADD:0329302,6.66,C(=C/c(ccc1c(cc2)ccc2C(O)=O)o1)(/C(=O)OC3(O4)CCCCC3)\C4=O,0.0
28474,CO-ADD:0329782,6.66,C12=C(CC(C(C(OC)=O)C1=O)C)Nc(c3NC2c4cccc(OC)c4)cccc3,0.0
28475,CO-ADD:0328177,6.66,c1(c(C)c(cc(C(C)C)c1O)NC(c2ccccc2)=O)S(=O)(=O)c3ccc(cc3)Cl,0.0
28476,CO-ADD:0327245,6.66,c1(SCc(c2ccc3[N+](=O)[O-])c3)n2c4c(cccc4)n1,0.0
28477,CO-ADD:0327261,6.66,C(C(C)=O)(C1c(cccn2)c2)=C(O)C(N1c3ccc(cc3)OCC(O)=O)=O.Cl,0.0
28478,CO-ADD:0327293,6.66,[nH]1c(cccc2)c2c(CCNC(CCC(c3ccccc3)=O)=O)c1C,0.0
28479,CO-ADD:0327358,6.65,[nH](c(ccc(c1)OC)c1c2CCNCC(C)Cc(ccc(c34)OCO3)c4)c2C,0.0
28480,CO-ADD:0326544,6.65,S(=O)(=O)(c(cc1)ccc1S(=O)(=O)NC(CC)C23CC(CC(C4)C2)CC4C3)N(CC5)CCO5,0.0
28481,CO-ADD:0326176,6.65,c1(NC(=O)c2ccccc2Cl)c(cnn1c3ccccc3Cl)C(=O)Nc(cccc4C(F)(F)F)c4,0.0
28482,CO-ADD:0326529,6.65,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4cccs4,0.0
28483,CO-ADD:0326538,6.65,N1(C(c2ccco2)CC(O)=O)C(=O)C3C(C4C(C5)C5C3C=C4)C1=O,0.0
28484,CO-ADD:0326546,6.65,S(=O)(=O)(c(cc1)ccc1S(=O)(=O)NCc(ccc2C(OCC)=O)o2)N(CC3)CCO3,0.0
28485,CO-ADD:0327438,6.65,C1(C(=O)OCC2CCCO2)=C(C)N(C(=O)NC1c3c(cccc3Cl)F)C,0.0
28486,CO-ADD:0327795,6.65,c1(O)cc(Oc(c(CNCCCC)c(O)c(C\C=C(/C)\C)c2O)c2C3=O)c3c(C\C=C(/C)\C)c1OC,0.0
28487,CO-ADD:0326484,6.65,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)NC4CCCCCC4)n2,0.0
28488,CO-ADD:0329951,6.65,C1(=O)Oc(ccc(c2)Br)c2C(C(C)(C)C(OC)=O)C1C(OC)=O,0.0
28489,CO-ADD:0329391,6.65,C1(=O)N(CC=C)c2c(Oc(cc(cc3[N+](=O)[O-])Oc4ccccc4)c13)cccc2,0.0
28490,CO-ADD:0329711,6.65,c1(nc(c2ccc(cc2)C)cc3C(F)F)n3ncc1C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
28491,CO-ADD:0328193,6.65,c1(c(O)c(C)c(c(NC(c2ccccc2)=O)c1)C)S(=O)(=O)c3ccc(cc3)OC,0.0
28492,CO-ADD:0327155,6.65,C(C(=O)c1ccc(cc1)OC)(C2c3cccc(O)c3)=C(O)C(N2Cc4ccco4)=O,0.0
28493,CO-ADD:0332241,6.65,C1(=C(Nc(cccc2C(F)(F)F)c2)C(c(cccc3)c3C1=O)=O)n4c5c(nn4)cccc5,0.0
28494,CO-ADD:0327766,6.65,N12C(SC(C(F)(F)F)=N1)=NC(=O)\C(=C\c(c(cccc3)c3n4Cc(cc5)ccc5Cl)c4)\C2=N,0.0
28495,CO-ADD:0327558,6.65,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)Nc2cccc(OC)c2,0.0
28496,CO-ADD:0327511,6.65,c1(c2ccccc2F)nnn(CC(NCCc(ccc(c3OCC)OCC)c3)=O)n1,0.0
28497,CO-ADD:0327543,6.65,C1(=O)Nc2c(Oc(cc(cc3Oc4cccc(Cl)c4)[N+](=O)[O-])c13)cccc2,0.0
28498,CO-ADD:0327320,6.65,N(C)(C1C2)C(CC1)CC2OC(=O)C3(CCCC3)c4ccccc4.Cl,0.0
28499,CO-ADD:0327520,6.65,n1(CC=C)c(SCC(=O)Nc(ccc(c2F)C)c2)nnc1c3ccco3,0.0
28500,CO-ADD:0327528,6.65,c(C#N)(c1OC)c(I)sn1,0.0
28501,CO-ADD:0327811,6.65,C1[C@@](C)(O)[C@H](SC[C@H](N)C(=O)O)C[C@@H](C2(C)C)[C@H]12,0.0
28502,CO-ADD:0327603,6.65,c12c(n(cn1)Cc(ccc(c3OCC)OCC)c3)C(N(C)C(=O)N2C)=O,0.0
28503,CO-ADD:0326440,6.65,c([N+](=O)[O-])(c(C)nn1CC(=O)N\N=C(/N)\c2nonc2N)c1C,0.0
28504,CO-ADD:0326401,6.65,C(C(NCCCCCC(O)=O)=O)(NC1=O)=CC(N1)=O,0.0
28505,CO-ADD:0327756,6.65,C1(=NNC(=S)N1N)n2c(C)cc(C)n2,0.0
28506,CO-ADD:0332258,6.65,c(c(ccc1)N(C)CN2C)(c2ccc3[N+](=O)[O-])c13,0.0
28507,CO-ADD:0331786,6.65,C(C(=O)OC(C)C)(C1c2ccc(cc2)F)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
28508,CO-ADD:0331810,6.65,C1(C2=O)C(NN=C1C(=O)c3ccco3)C(N2c4ccccc4)=O,0.0
28509,CO-ADD:0331815,6.65,N1(CCCC1C(=O)OCC(=O)c2ccc(cc2)CC)C(=O)C34CC5CC(CC(C5)C3)C4,0.0
28510,CO-ADD:0331839,6.65,N1(CCC(O)=O)C(=O)\C(\SC1=S)=C/c(ccc(c2OCC)OCC(=O)Nc(ccc(c3Cl)Cl)c3)c2,0.0
28511,CO-ADD:0332288,6.65,N1(C(=O)c2ccc(cc2)Cl)c3c(cccc3)C(CC1(C)C)(C)c4ccc(cc4)OC,0.0
28512,CO-ADD:0319184,6.65,c1(NC(COc2ccc(cc2Br)Cl)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
28513,CO-ADD:0328679,6.65,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c(cccc4C(=O)Nc(cccc5[N+](=O)[O-])c5)c4,0.0
28514,CO-ADD:0328505,6.65,S(N)(=O)(=O)c1cc(C)cc(cccn2)c12,0.0
28515,CO-ADD:0328513,6.65,N1(CCC(=O)OC2CSCC2NC(OC)=O)C(=O)c3c(cccc3)C1=O,0.0
28516,CO-ADD:0328657,6.65,S(=O)(=O)(c(cccc1S(=O)(=O)c2ccc(cc2)Cl)c1)N(CC3)CCN3C45CC6CC(CC(C6)C4)C5,0.0
28517,CO-ADD:0327393,6.65,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2C5=CC(c6c(ccc(c6)Cl)O5)=O)cccc4,0.0
28518,CO-ADD:0327241,6.65,N1(c2ccccc2)C(=O)CC(COC)=N1,0.0
28519,CO-ADD:0329407,6.65,C(C(O)=O)(=CN(CC)c1c2cc(c(N(CC3)CCN3C(=S)NC(=O)C45CC6CC(CC(C6)C4)C5)c1)F)C2=O,0.0
28520,CO-ADD:0327751,6.65,N1(C)c(cccc2)c2C(=NN=C1c3ccc(cc3)Br)c4ccccc4,0.0
28521,CO-ADD:0328562,6.64,c(C(=O)OCc1ccccc1)(sc(c23)nc(c(C)c2C)C)c3N,0.0
28522,CO-ADD:0328435,6.64,C(F)(F)(F)Oc(cc1)ccc1NC(=O)CN(CC2)CCN2C.Cl.Cl,0.0
28523,CO-ADD:0330845,6.64,c1(c(C)cc(nc1Cl)Cl)C(=O)N(C)Cc2ccccc2,0.0
28524,CO-ADD:0330869,6.64,C1(c2ccc(c(OC)c2)OC(C)=O)=C3C(Nc(ccc4c5cccn4)c15)CC(C)(C)CC3=O,0.0
28525,CO-ADD:0330878,6.64,c12c(c(nn1c3ccccc3)C)cc(C(=O)Nc(cc4)ccc4F)s2,0.0
28526,CO-ADD:0328186,6.64,S(=O)(=O)(c1ccc(cc1)Cl)c2c(O)c(C)cc(NC(=O)c3ccc(cc3)OC)c2C(C)C,0.0
28527,CO-ADD:0328274,6.64,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c3ccc(c(OC)c3)Cl,0.0
28528,CO-ADD:0328777,6.64,C(c1c2cc(C)cc1)(\C(\SS3)=N\c4c(Cl)ccc(Cl)c4)=C3C(N2)(C)C,0.0
28529,CO-ADD:0328490,6.64,[N+](=O)([O-])c(cc(Oc1ccccc1OC)c(c23)C=Cc(cccc4)c4O2)c3,0.0
28530,CO-ADD:0328995,6.64,N1(c2cccc(Cl)c2)N=NNC1=O,0.0
28531,CO-ADD:0327577,6.64,C1(C(OCC)=O)C(c2ccc(cc2)Br)CC(=CC1=O)c3ccccc3,0.0
28532,CO-ADD:0327730,6.64,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(O)=O,0.0
28533,CO-ADD:0328826,6.64,C1(C(=O)\C=C\c2ccccc2)=C(CC(C)(C)CC1=O)Nc(cc3)ccc3OC,0.0
28534,CO-ADD:0326171,6.64,C1(C(F)(F)F)(C(F)(F)F)N=C(Cc2ccccc2)OC(N(CC3)CCO3)=N1,0.0
28535,CO-ADD:0327226,6.64,C1(F)(F)Oc(c2O1)ccc(c2)NC(=O)c3ccco3,0.0
28536,CO-ADD:0327258,6.64,C(=O)(c1c(cccc1Cl)Cl)NC(=O)Nc2cc([nH]n2)C,0.0
28537,CO-ADD:0327339,6.64,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4)ccc4C(C)(C)C)cccc3,0.0
28538,CO-ADD:0328627,6.64,C(C(OC)=O)(NC(C)=O)(C(F)(F)F)Nc1sc2c(ccc(c2)OC(F)(F)F)n1,0.0
28539,CO-ADD:0329916,6.64,N1(CC2CCCO2)C(=O)c3c(c(ccc4[N+](=O)[O-])C1=O)c4ccc3,0.0
28540,CO-ADD:0328581,6.64,C1(C(F)(F)F)(NC(=O)c2ccco2)C(=O)NC3=C1C(=O)NC(N3CCc(ccc(c4OCC)OCC)c4)=O,0.0
28541,CO-ADD:0327172,6.64,C(C(=O)c1cccs1)(C2c3ccccc3)=C(O)C(N2c4ccccn4)=O,0.0
28542,CO-ADD:0327165,6.64,[nH](c(ccc(c1)OC)c1c2CCNCc(cc3)ccc3F)c2C,0.0
28543,CO-ADD:0326050,6.64,C1(Nc(cccc2C(F)(F)F)c2)=CC(c(cccc3)c3C1=O)=O,0.0
28544,CO-ADD:0329194,6.64,n1c(c2ccc(cc2)F)onc1c3ccc(Br)o3,0.0
28545,CO-ADD:0328891,6.64,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)Nc2scc(c3ccc(cc3)C)n2)Cl)c1,0.0
28546,CO-ADD:0328923,6.64,C(C(c1ccc(cc1)C)NCc(ccc(c2OCC)OC)c2)C(OCC)=O.Cl,0.0
28547,CO-ADD:0328404,6.64,n1c(C)nc(c(CC=C)c1NCCO)O,0.0
28548,CO-ADD:0327499,6.64,c1(NC(=O)CN(CC2)CCN2c3ccccc3C)cc(on1)C,0.0
28549,CO-ADD:0328614,6.64,c1(SCc(ccc(c2n3)no3)c2)sc(c4n1)cccc4,0.0
28550,CO-ADD:0328622,6.64,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)NC3=C1C(=O)NC(N3Cc4ccccc4)=O,0.0
28551,CO-ADD:0328076,6.64,S(=O)(=O)(NC(c1ccccc1Cl)CC(OCC)=O)c2c(C)cc(cc2C)C,0.0
28552,CO-ADD:0327485,6.64,c12c(n(c(SCC(=O)Nc(c(C(N)=O)nn3c4ccccc4)n3)n1)CC)C(N(C)C(=O)N2C)=O,0.0
28553,CO-ADD:0329564,6.64,C(=O)(c(cc1)ccc1C(C)(C)C)NC(c2ccc(cc2)OC)CC(OCC)=O,0.0
28554,CO-ADD:0327605,6.64,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c4cc(Cl)cc(Cl)c4)o3,0.0
28555,CO-ADD:0325986,6.64,n1c(c2ccccc2)nnn1CC(OCc(cc3)ccc3[N+](=O)[O-])=O,0.0
28556,CO-ADD:0326315,6.64,P1(=S)(OCC(CO1)(C)C)N(c2ccccc2)C3=NCCC3,0.0
28557,CO-ADD:0327134,6.64,C(/c(ccc(c12)cccc1)c2C(C34C)CCCC3)(=C\C(OCC)=O)\N4,0.0
28558,CO-ADD:0326371,6.64,N1(N)C(=O)c2c(N=C1COc(cc3)ccc3Cl)cccc2,0.0
28559,CO-ADD:0328428,6.64,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)Nc(cc3)ccc3C(O)=O,0.0
28560,CO-ADD:0327983,6.64,C1(C(=O)NCc(ccc(c2OC)OC)c2)=NNC(=O)c(cccc3)c13,0.0
28561,CO-ADD:0328406,6.64,c1(CN2CCCC2)cc(cccc3)c3c(CO4)c1C4,0.0
28562,CO-ADD:0329584,6.64,S(=O)(=O)(Nc(cc1)ccc1OCC(O)=O)c2ccc(c(OC)c2)Cl,0.0
28563,CO-ADD:0329592,6.64,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3ccc(c(cccc4)c34)OCC,0.0
28564,CO-ADD:0329757,6.64,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)F)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
28565,CO-ADD:0328357,6.63,n1(cnnn1)c2ccc(cc2OC)n3cnnn3,0.0
28566,CO-ADD:0329213,6.63,[N+](=O)([O-])c1c(C)ccc(c1)C(NCCc(c2c([nH]3)ccc(OC)c2)c3C)=O,0.0
28567,CO-ADD:0327397,6.63,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(NCCc4ccccc4)=O)n2,0.0
28568,CO-ADD:0328270,6.63,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3ccc(c(C)c3C)C,0.0
28569,CO-ADD:0329911,6.63,C(CNC(=O)c1cccc(OCC)c1)(C2)(CC3CC2CC4(C3)CNC(=O)c5cccc(OCC)c5)C4,0.0
28570,CO-ADD:0329263,6.63,C(=C/c(ccc1c2cccc(Cl)c2)o1)(/C(=O)NN3c4ccccc4)\C3=O,0.0
28571,CO-ADD:0329952,6.63,n1(nc[nH]2)c2nnc1SCc3ccc(cc3Cl)Cl,0.0
28572,CO-ADD:0329806,6.63,N1(N)C(=O)C(C(C)(C)C)=NN=C1Nc(ccc(c23)OCO2)c3,0.0
28573,CO-ADD:0326443,6.63,N1\C(=N/N=C(\C)/c(cc2)ccc2[N+](=O)[O-])\SC(C)C1=O,0.0
28574,CO-ADD:0327744,6.63,C1(NCc2ccccc2)(C(F)(F)F)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
28575,CO-ADD:0326185,6.63,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)NC3=C1C(=O)N(C)C(N3C)=O,0.0
28576,CO-ADD:0320471,6.63,n1(CC=C)c(SCC(=O)Nc2c(CC)cccc2C)nnc1c3cccc(OC)c3,0.0
28577,CO-ADD:0318887,6.63,C(=S)(Nc1cccc(Cl)c1)N(CC2)CCN2Cc(ccc(c34)OCO3)c4,0.0
28578,CO-ADD:0326475,6.63,c12c(ccc(c1)NC(C)=O)C(C)=CC(=O)N2[H],0.0
28579,CO-ADD:0326188,6.63,N1(c(ccc(c2C(F)(F)F)Cl)c2)C(=O)C(C3C1=O)C4C5(C3C=C4)CC5,0.0
28580,CO-ADD:0326052,6.63,[nH]1c2c(nc1SCC(=O)Nc(cc3)ccc3OC(F)(F)Cl)cccn2,0.0
28581,CO-ADD:0326468,6.63,C1(=S)N(C2c3ccc(cc3)OC)C(C(=O)N1c4ccccc4)Cc(c5c(cccc5)[nH]6)c26,0.0
28582,CO-ADD:0327446,6.63,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)c3c(oc1C(C)=O)cccc3,0.0
28583,CO-ADD:0327462,6.63,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc(cc4)ccc4NC(C)=O)[N+](=O)[O-])c13)cccc2,0.0
28584,CO-ADD:0326340,6.63,c1(NC(=O)C(C(F)(F)F)C(F)(F)F)sc(c(c2ccccc2)c1C(OCC)=O)CC,0.0
28585,CO-ADD:0327992,6.63,c1(S)nc(cn1c(cc2)ccc2C(OC)=O)c3ccccc3,0.0
28586,CO-ADD:0327848,6.63,N1(CN(C)Cc2ccccc2)c(cccc3)c3\C(=N\c(cccc4C(F)(F)F)c4)\C1=O,0.0
28587,CO-ADD:0327415,6.63,S1(=O)(=O)c2c(c3N1CCC)c(ccc2)ccc3,0.0
28588,CO-ADD:0328868,6.63,[nH](c(ccc(c1)OC)c1c2CCNCc(ccc(c3OCC)OC)c3)c2C,0.0
28589,CO-ADD:0328876,6.63,c(C(=O)NCc1ccccc1)(c2Cl)c(Cl)sn2,0.0
28590,CO-ADD:0328916,6.63,n12c(S\C(=C/c(ccc(c3Oc4ccccc4)F)c3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
28591,CO-ADD:0327850,6.63,C(/c(cccc1)c1CC23CCCC2)(\N3)=C\C4=NC(Cc5c4cccc5)(C)C,0.0
28592,CO-ADD:0328050,6.63,S(=O)(=O)(NCc(ccc1C(OCC)=O)o1)c2cccc(nsn3)c23,0.0
28593,CO-ADD:0327626,6.63,N1(c2ccc(cc2)Cl)C(CCCCC3=NNC(=S)N3c4ccc(cc4)Cl)=NNC1=S,0.0
28594,CO-ADD:0329272,6.63,C(O)(C(OC)=O)(C(F)(F)F)c1ccc(cc1OCCCC)OCCCC,0.0
28595,CO-ADD:0329304,6.63,C(=O)(NCC1COCCO1)NC(C)(C)c(cccc2C(C)=C)c2,0.0
28596,CO-ADD:0326205,6.63,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)Br)=C(O)C(N2CC(OCC)=O)=O,0.0
28597,CO-ADD:0328714,6.63,N(C(=O)c1ccc(cc1)F)(N(C=CC=C2C)C2=N3)C3=S,0.0
28598,CO-ADD:0331149,6.63,n1(Cc2ccccc2Cl)c3c(nc1\C=C\c4ccccc4)cccc3,0.0
28599,CO-ADD:0330771,6.63,c12c(nnc(SCC(=O)Nc(cc3)ccc3C(OCC)=O)n1)c4c(cccc4)n2CCC,0.0
28600,CO-ADD:0332439,6.63,C(/c1c(ccc(C)c1)CC2(C)C)(\N2)=C\C(N)=O,0.0
28601,CO-ADD:0330957,6.63,[N+](=O)([O-])c(cccc1C2OC(C)(C)c3c(cccc3)N2)c1,0.0
28602,CO-ADD:0331414,6.63,c1(NC(C)=O)nonc1\C(=N\OCc(cc2)ccc2C(OC)=O)\NC(C)=O,0.0
28603,CO-ADD:0331640,6.63,S(NCCOC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4c(C)cc(c(C)c4)OC,0.0
28604,CO-ADD:0331803,6.63,C(c1ccccc1)(=O)NC(Cc2ccccc2)C(=O)OCC(=O)c3ccc(cc3)CC,0.0
28605,CO-ADD:0331879,6.63,S(=O)(=O)(c1ccc(c(OC)c1)Cl)N(CC2)CCN2C(OCC)=O,0.0
28606,CO-ADD:0332448,6.63,c1(SCC(=O)NC2CCCCC2C)sc(c3n1)ccc(Cl)c3,0.0
28607,CO-ADD:0330750,6.63,C1(O)(C(F)(F)F)C(=O)Oc2c1cc(C(C)(C)C)cc2C(C)(C)C,0.0
28608,CO-ADD:0331399,6.63,C1(C(=O)NC(C)(CC)C#C)=Cc(cccc2CC=C)c2OC1=O,0.0
28609,CO-ADD:0331694,6.62,S(=O)(=O)(NC(c1ccc(cc1)OC)CC(OCC)=O)c2ccc(c(cccc3)c23)Cl,0.0
28610,CO-ADD:0332181,6.62,C(C(=O)c1ccc(cc1)F)(C2c3cccc(F)c3)=C(O)C(N2CCCC(O)=O)=O,0.0
28611,CO-ADD:0332605,6.62,c1(Sc(cc2)ccc2Cl)c(C=O)cc(c3n1)ccc(C)c3,0.0
28612,CO-ADD:0330969,6.62,C(=O)(c1cccs1)NC(c2ccc(cc2)OC)CC(O)=O,0.0
28613,CO-ADD:0332090,6.62,C1(=Cc(cc(Cl)cc2Cl)c2OC1=O)C(=O)N(CC3)CCN3c4cc(C)ccc4C,0.0
28614,CO-ADD:0331198,6.62,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNCc3ccc(cc3OC)OC)c2C,0.0
28615,CO-ADD:0331614,6.62,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4c(Cl)ccc(Cl)c4,0.0
28616,CO-ADD:0331040,6.62,C1(C=NN=C1SC(C)(C)C)(C(F)(F)F)C(F)(F)F,0.0
28617,CO-ADD:0330914,6.62,c1(C(=O)N(Cc2ccccc2)Cc3ccccc3)sc4c(c(COC)cc(C)n4)c1N,0.0
28618,CO-ADD:0330964,6.62,c12c(c(n[nH]1)c3ccc(cc3)F)C(N(c4ccccc4)C2=O)c5ccc(cc5)F,0.0
28619,CO-ADD:0331389,6.62,n1(CC(C)C)c2c(nc1COc3ccc(cc3Cl)Cl)cccc2,0.0
28620,CO-ADD:0331958,6.62,C1(C(NCCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)=O)=Cc(cc(Br)cc4OC)c4OC1=O,0.0
28621,CO-ADD:0330970,6.62,C(=O)(NC(c1ccc(cc1)OC)CC(O)=O)c2ccccc2Br,0.0
28622,CO-ADD:0330979,6.62,S(=O)(=O)(c1ccc(cc1)C)N(Cc(ccc(c2Cl)Cl)c2)CC(=O)N3CCC(CC3)C,0.0
28623,CO-ADD:0331840,6.62,C1(=O)N(C)C(=O)\C(\C(=O)N1c2ccccc2)=C/c(ccc(c3O)OC)c3,0.0
28624,CO-ADD:0332616,6.62,N(C1=O)C(N\N=C(/N)\N)C(N1)N\N=C(/N)\N,0.0
28625,CO-ADD:0331383,6.62,C(C(=O)N1CCCCC1)(C2=O)=C(c3c(cccc3)CC45CCCC4)N5C2=O,0.0
28626,CO-ADD:0332344,6.62,c1(nc(c2ccccc2OC)cc3C(F)(F)F)n3ncc1C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
28627,CO-ADD:0332481,6.62,C(=N\c(cc1)ccc1C(=O)NCc2ccccc2)(/c3c(N4)cccc3)\C4=O,0.0
28628,CO-ADD:0332017,6.62,C(=O)(c1cccc(C)c1)NC(c2ccc(cc2)OC)CC(O)=O,0.0
28629,CO-ADD:0330896,6.62,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2C(=O)OC(C)C)nnc1c3ccoc3,0.0
28630,CO-ADD:0331305,6.62,c1(C(=O)NC2CC2)scc(OCCO3)c13,0.0
28631,CO-ADD:0332490,6.62,N1(C(=O)CSC1=S)\N=C\c2sccc2C,0.0
28632,CO-ADD:0331920,6.62,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N(CC3)CCN3c4ccccc4OC,0.0
28633,CO-ADD:0332193,6.62,N1(C(c2ccccc2)CC(c3cccs3)=N1)C(=O)c4ccc(cc4)Cl,0.0
28634,CO-ADD:0332201,6.62,S(=O)(=O)(c1ccc(cc1)Br)Nc(c(cccc2)c23)cc4c3oc(CCC(C)C5)c45,0.0
28635,CO-ADD:0331538,6.62,C(O)(C(CCCCCC(N)C(O)=O)N)=O,0.0
28636,CO-ADD:0331913,6.62,C1(C(=O)Nc2ccccc2Oc3ccccc3)=Cc(cc(Br)cc4OC)c4OC1=O,0.0
28637,CO-ADD:0331006,6.62,S(=O)(=O)(c1c(C)cc(cc1C)C)N2\C(\SCC2)=N\S(=O)(=O)c3c(C)cc(cc3C)C,0.0
28638,CO-ADD:0331031,6.62,C1(C#N)=C(SCc2ccccc2)Nc(ccc(F)c3)c3C1=O,0.0
28639,CO-ADD:0332135,6.62,C1(=Cc2c(OC1=O)cccc2)C(=O)NC(c3ccccc3)c4ccccc4,0.0
28640,CO-ADD:0331016,6.62,C(C(F)(F)F)(NC(=O)c1cccc(C)c1)(C2=O)NC(N2C(CC)C34CC5CC(CC(C5)C3)C4)=O,0.0
28641,CO-ADD:0332457,6.62,C(=C/c(ccc1c(cccc2C(OC)=O)c2)o1)(/C(=O)NN3c4ccc(c(C)c4)C)\C3=O,0.0
28642,CO-ADD:0332173,6.62,C(=O)(c1cccc(Br)c1)NC(c2ccc(cc2)OC)CC(O)=O,0.0
28643,CO-ADD:0331688,6.62,[N+](=O)([O-])c(cccc1C(CC(O)=O)NC(=O)c2ccccc2F)c1,0.0
28644,CO-ADD:0331563,6.62,n1(c2c(cccc2)CNC3c4ccccc4O)c3ccc1.Cl,0.0
28645,CO-ADD:0330995,6.62,C(F)(F)(F)c(cc1)ccc1C(=O)Nc2ccccc2NC(=O)c3ccc(cc3)OC,0.0
28646,CO-ADD:0332412,6.62,C(C(OC)=O)(C(F)(F)F)(Nc1sc(c2n1)cccc2C)NC(=O)c3cccc(F)c3,0.0
28647,CO-ADD:0332501,6.62,[N+](=O)([O-])c(cccc1C(=O)c2ccccn2)c1,0.0
28648,CO-ADD:0332381,6.62,N1(c2ccc(cc2)OCC(c3ccccc3)=O)C(=O)c(c4C1=O)cccc4,0.0
28649,CO-ADD:0331909,6.62,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3ccc(c(Cl)c3)Cl,0.0
28650,CO-ADD:0331648,6.62,n1cn(cc1c2ccc(cc2)NC(C)=O)CC(N)=O,0.0
28651,CO-ADD:0331947,6.62,S(=O)(=O)(NC(c1ccc(cc1)OC)CC(OCC)=O)c2c(Cl)cc(c(Cl)c2)OC,0.0
28652,CO-ADD:0331917,6.61,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N(CC3)CCN3C(OCC)=O,0.0
28653,CO-ADD:0331058,6.61,c12c(n(c(SCC(=O)NC(C)(C)C#C)n1)CCCC)C(N(C)C(=O)N2C)=O,0.0
28654,CO-ADD:0331082,6.61,c1(C(CC(N2c3ccccc3)=O)C2)n(CCCC)c4c(cccc4)n1,0.0
28655,CO-ADD:0330799,6.61,n1(c(C)c(nn1)C(OCC)=O)c2nc(OC)nc(N(CC)CC)n2,0.0
28656,CO-ADD:0330721,6.61,c1(cc(OC)c(c2)OC)c2C(CC(=O)N1)c(ccc(c34)OCO3)c4,0.0
28657,CO-ADD:0331737,6.61,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c(cccc5[N+](=O)[O-])c5,0.0
28658,CO-ADD:0331260,6.61,n1(nnc(c2ccccc2)c1C(OCC)=O)c3nc(OC)nc(N(CC4)CCO4)n3,0.0
28659,CO-ADD:0331281,6.61,C1(COC2=O)=C2C(=O)NC(C)=C1[N+](=O)[O-],0.0
28660,CO-ADD:0331562,6.61,n1(c2c(cccc2)CNC3c4ccc(c(OC)c4)O)c3ccc1.Cl,0.0
28661,CO-ADD:0331554,6.61,S(=O)(=O)(c1ccc(cc1)C)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
28662,CO-ADD:0332242,6.61,C1(=C(N(CC2)CCO2)C(c(cccc3)c3C1=O)=O)n4c5c(nn4)cccc5,0.0
28663,CO-ADD:0332531,6.61,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)N(CC3)CCN3C(=O)c4cccc(OC)c4,0.0
28664,CO-ADD:0332388,6.61,C1(C(F)(F)F)(NC(=O)c2ccc(cc2Cl)Cl)C(=O)N(C3=N1)CCS3,0.0
28665,CO-ADD:0331997,6.61,C(=O)(N1CCCC(C)C1)c2ccccc2NC(=O)c3ccc(cc3)F,0.0
28666,CO-ADD:0330720,6.61,N(c(cccc1C(F)(F)F)c1)(COc(c23)ccc(Cl)c2)C3,0.0
28667,CO-ADD:0331659,6.61,c12c(C(c(ccc(c34)OCO3)c4)SCC(=O)N1)c(nn2C5CCCCC5)O,0.0
28668,CO-ADD:0330804,6.61,n1(cc(nn1)CO)c(n2)nc(nc2N(CC3)CCO3)N(CC4)CCO4,0.0
28669,CO-ADD:0331982,6.61,P(N(C)C)(N(C)C)(=S)Oc1cccc(ccc(c2)OP(N(C)C)(N(C)C)=S)c12,0.0
28670,CO-ADD:0332437,6.61,[C@]1(O)(CC2)[C@@]([H])(CCCC1)CN2.Cl,0.0
28671,CO-ADD:0331418,6.61,c12c(n(cn1)Cc3ccccn3)C(N(C)C(=O)N2C)=O,0.0
28672,CO-ADD:0330826,6.61,c1(C(NCC=C)=O)c(C)c(Cl)c(nc1Oc(cc2)ccc2F)C,0.0
28673,CO-ADD:0330946,6.61,c1(C#N)c(C)cc(nc1SCC(=O)Nc2cccc(cccc3)c23)C,0.0
28674,CO-ADD:0331682,6.61,n1(n2)c(NC(c3ccccc3)CC1C(F)(F)F)cc2C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
28675,CO-ADD:0332414,6.61,C1(C(OC)=O)(C(F)(F)F)N=C(C=CC(=C2)Cl)N2C(c3ccccc3F)=N1,0.0
28676,CO-ADD:0332447,6.61,n1c(O)cc(nc1SCC(=O)Nc(ccc(c23)OCO2)c3)CCC,0.0
28677,CO-ADD:0331967,6.61,c1(c(N)c(c2s1)ccc(C)n2)C(=O)N(c3ccccc3)c4ccccc4,0.0
28678,CO-ADD:0330779,6.61,c1(cc(ccc1Oc(cc2)c(OC)cc2C(=O)Nc(cc3)ccc3F)C(F)(F)F)[N+](=O)[O-],0.0
28679,CO-ADD:0330787,6.61,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c5ccc(c(OC)c5)OCC)O1,0.0
28680,CO-ADD:0330806,6.61,n1(nnc(c2ccccc2)c1C(OCC)=O)c3nc(N(CC4)CCO4)nc(N(CC5)CCO5)n3,0.0
28681,CO-ADD:0330843,6.61,C(=O)(Nc1c(C)cc(cc1C)C)c2c(C)cc(nc2OC)Cl,0.0
28682,CO-ADD:0330971,6.61,n1(n2)c(NC(c3ccc(c(OC)c3)OC)CC1C(F)(F)F)cc2C(=O)N(CC4)CCN4C5C(CC(CC56)CC7C6)C7,0.0
28683,CO-ADD:0330883,6.61,N1(N=C(\C(=C(/C)\O)\C1=O)CC(OC)=O)c2sc(c3n2)cccc3,0.0
28684,CO-ADD:0332108,6.61,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)N(CC3)CCN3C45CC(CC6C4)CC(C6)C5,0.0
28685,CO-ADD:0330820,6.61,c1(sc2c(c(COC)cc(C)n2)c1n3cccc3)C(=O)N(c4ccccc4)c5ccccc5,0.0
28686,CO-ADD:0330876,6.61,c12c(c(nn1c3ccccc3)C)cc(C(=O)Nc(c4)cc(cc4C(OC)=O)C(OC)=O)s2,0.0
28687,CO-ADD:0330988,6.61,N1(c(cccc2C(F)(F)F)c2)C(c3ccc(c4c3)cccn4)Nc(c5C1=O)cccc5,0.0
28688,CO-ADD:0331622,6.61,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4c(OC)cc(c(C)c4)C,0.0
28689,CO-ADD:0157938,6.61,O=C(N/N=C(C)/CC(NC1=C(C=CC=C2)C2=CC=C1)=O)C3=CC(OC)=CC(OC)=C3,0.0
28690,CO-ADD:0217530,6.61,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C/c3cccs3,0.0
28691,CO-ADD:0217195,6.61,C(=O)(Oc(cc1)ccc1\C=N\c2ccccc2C)c3ccccc3C(=O)Oc(cc4)ccc4\C=N\c5ccccc5C,0.0
28692,CO-ADD:0216888,6.6,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(cccc3)c23)\C=N\NC(=O)c4ccc(cc4)C,0.0
28693,CO-ADD:0217416,6.6,C(F)(F)(C(F)(F)COc(cc1)ccc1\N=C\c2cc(OC)ccc2O)C(F)(F)C(F)F,0.0
28694,CO-ADD:0217224,6.6,C(F)(F)(C(F)(F)COc1ccccc1NC(=O)c2cccc(F)c2)C(F)(F)C(F)F,0.0
28695,CO-ADD:0157952,6.6,S=C(N(C1=CC=CC=C1)C2=O)N(C3=CC=CC=C3)C(C2=CC4=CC=CC=C4)=O,0.0
28696,CO-ADD:0166577,6.6,C1(C(=O)NNC(=O)c(cc2)ccc2c3ccccc3)CC1c4ccccc4,0.0
28697,CO-ADD:0166568,6.6,[N+](=O)([O-])c1cccc(c1)OC(=O)Nc2c(Cl)cc(c(F)c2)F,0.0
28698,CO-ADD:0166523,6.6,C(NCCc(cc1)ccc1Cl)(=O)c2ccc(cc2)OCCCC,0.0
28699,CO-ADD:0164498,6.6,Cc1cnc(cn1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1,0.0
28700,CO-ADD:0164389,6.6,OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,0.0
28702,CO-ADD:0217219,6.6,C(F)(F)(C(F)(F)COc1ccccc1NC(=O)c2ccc(cc2)Br)C(F)(F)C(F)F,0.0
28703,CO-ADD:0217264,6.6,c1(c2N)c(nc(C)c(C)c1C)sc2C#N,0.0
28704,CO-ADD:0157960,6.6,O=C(OCC)C1=C(C)NC2=C1C=C(O)C=C2,0.0
28705,CO-ADD:0157984,6.6,O=C(C1C2C3=C(C=CC=C3)C(C4=C2C=CC=C4)C51)N(C(C=C6)=CC=C6[N+]([O-])=O)C5=O,0.0
28706,CO-ADD:0158272,6.6,O=C(NC1=CC=C(Br)C=C1)CCCC(N/N=C/C2=CC(OC)=CC=C2)=O,0.0
28707,CO-ADD:0166046,6.6,c1(Cl)c(ccc(Cl)c1)OCC(=O)NCC(OC)=O,0.0
28708,CO-ADD:0165937,6.6,C(=O)(Nc(ccc(c1Cl)C)c1)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
28709,CO-ADD:0217231,6.6,C(OC)(=O)c1ccc(cc1)\C=N\NC(CCC(=O)NC2CCCCC2)=O,0.0
28710,CO-ADD:0217247,6.6,C(F)(F)(C(F)(F)COc1ccccc1\N=C\c(cccc2[N+](=O)[O-])c2O)C(F)(F)C([H])(F)F,0.0
28711,CO-ADD:0217584,6.6,C(=O)(N\N=C\c(cc1)ccn1)c2ccc(cc2)OCCC,0.0
28712,CO-ADD:0158164,6.6,O=C(CSCC1=CC=C(C=C1)Cl)N/N=C/C2=C(OC)C=CC(Br)=C2,0.0
28713,CO-ADD:0157980,6.6,N#CC1=C(N)N(CC2=CC=C(Cl)C=C2)N=C1C,0.0
28714,CO-ADD:0154545,6.6,CC1(C)[C@@H]2CCC1(CS(N3C(CC(C)=O)=O)(=O)=O)[C@H]3C2,0.0
28715,CO-ADD:0165974,6.6,C(=O)(N\N=C/c(cc1)ccc1C(O)=O)c2ccc(cc2)COc(cc3)ccc3C,0.0
28716,CO-ADD:0166450,6.6,c1(ccccc1F)C(=O)NCc2cccc(cccc3)c23,0.0
28717,CO-ADD:0165935,6.6,C(F)(F)(F)c1ccccc1NC(=O)CC(C)=O,0.0
28718,CO-ADD:0165960,6.6,C(=O)(N\N=C\c(cc1)ccc1C)c2ccc(cc2)COc(cc3)ccc3C,0.0
28719,CO-ADD:0215715,6.6,c(C#N)(c1c2ccccc2)c(\N=C\c3cccc(OC)c3)oc1c4ccccc4,0.0
28720,CO-ADD:0215099,6.6,C(=C/NCCBr)(/C(=O)NC(N1)=S)\C1=O,0.0
28721,CO-ADD:0217658,6.6,C(=S)(Nc(cc1)ccc1OC)C(=O)Nc2ccccc2,0.0
28722,CO-ADD:0217402,6.6,c1(N2CCCCC2)nc(N\N=C\c3cc(OC)ccc3O)nc(Nc4ccccc4)n1,0.0
28723,CO-ADD:0217266,6.6,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(NCCc2ccccc2)=O,0.0
28724,CO-ADD:0217466,6.6,C(=O)(NCC(=O)N\N=C\c1cc(Br)ccc1OC)c2ccco2,0.0
28725,CO-ADD:0217608,6.6,C(COc(cc1)ccc1C(C)CCC)(=O)N\N=C\c2cccc(OC)c2OC,0.0
28726,CO-ADD:0217401,6.6,c1(c(Br)cc(cc1\C=N\NC(=O)c(ccc(n2)C)c2)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
28727,CO-ADD:0217112,6.6,c1(C#N)c(c2ccccc2)c3c(nc1SCc(cc4)ccc4C(C)(C)C)CCC3,0.0
28728,CO-ADD:0225479,6.6,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc5c(C)cccc5C)=O,0.0
28729,CO-ADD:0225519,6.6,c12n(c3c(cccc3)nc1SCc(c(C)oc4c5cccc(OC)c5OC)n4)c(nn2)C,0.0
28730,CO-ADD:0217965,6.6,N(c(ccc(c1)Br)c12)=C(c3ccc(cc3)Cl)OC2=O,0.0
28731,CO-ADD:0217981,6.6,c1(N(CC2)CCO2)nc(N\N=C\c(cccc3C(F)(F)F)c3)nc(Nc4ccccc4)n1,0.0
28732,CO-ADD:0217997,6.6,c1(\C=N\NC(CNC(=O)c(ccc(c23)OCO2)c3)=O)c[nH]nc1c4ccc(c(OC)c4)OC,0.0
28733,CO-ADD:0165979,6.6,C(=O)(Nc(ccc(c12)cccc1)c2)C\C(\C)=N\NC(COc(cc(C)c(c3)Br)c3Br)=O,0.0
28734,CO-ADD:0166755,6.6,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)SC(N\N=C\c(cc3)ccc3Cl)=N,0.0
28735,CO-ADD:0166325,6.6,N1=C(N\N=C\c2cc(OC)ccc2O)SC(CC)C1=O,0.0
28736,CO-ADD:0166607,6.6,s1c(SCC(N)=O)nnc1SCC(N)=O,0.0
28737,CO-ADD:0165884,6.59,C(=O)(C\C(\C)=N\NC(COc(ccc(c1C)Br)c1)=O)Nc2ccccc2Cl,0.0
28738,CO-ADD:0215677,6.59,[N+](=O)([O-])c(cc1)ccc1C2OC(CC)(CC)c3c(cccc3)N2,0.0
28739,CO-ADD:0215693,6.59,c1(NC(CCCC(O)=O)=O)sc(c(C)c1C#N)C,0.0
28740,CO-ADD:0164642,6.59,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1.OC(=O)/C=C\C(=O)O.OC(=O)/C=C\C(=O)O,0.0
28741,CO-ADD:0217274,6.59,c1(sc(c2n1)cccc2)\C(\C#N)=C\c(cc3)ccc3N(C)C,0.0
28742,CO-ADD:0216854,6.59,n1(cnc(c1)n2cc(c3ccccc3)nn2)C(C)(C)C,0.0
28743,CO-ADD:0216862,6.59,[nH]1nnc(c2ccc(Cl)cc2Cl)c1,0.0
28744,CO-ADD:0216957,6.59,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(OC)=O)C(=O)Oc(cc4)ccc4\C=N\c(cc5)ccc5C(OC)=O,0.0
28745,CO-ADD:0217345,6.59,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c(ccc2c(cccc3[N+](=O)[O-])c3)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
28746,CO-ADD:0218805,6.59,c1(cc(ccc1O)Cc(ccc(c2\C=N\c(cc3)ccc3I)O)c2)\C=N\c(cc4)ccc4I,0.0
28747,CO-ADD:0218430,6.59,S(CCCCCCCCC)(=O)(=O)N\N=C\c(cccc1[N+](=O)[O-])c1,0.0
28748,CO-ADD:0218134,6.59,C(CC(NCCOc1ccccc1)=O)(c2c3cccc2)c4c(O3)cccc4,0.0
28749,CO-ADD:0214928,6.59,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)N\N=C\c(cc3)ccc3OCc(ccc(c45)cccc4)c5,0.0
28750,CO-ADD:0214936,6.59,c1(c2ccc(cc2)OC)nc(sc1c3ccccc3)N\N=C\c4ccccc4OC,0.0
28751,CO-ADD:0215513,6.59,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C\c(cc3)ccc3C#N,0.0
28752,CO-ADD:0215417,6.59,C(\C(\CCC1)=C\c(cc2)ccc2C)(O3)=C1C(C(C#N)=C3N)c4ccc(cc4)C.[Na+],0.0
28753,CO-ADD:0164969,6.59,CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1,0.0
28754,CO-ADD:0164612,6.59,CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC.O,0.0
28755,CO-ADD:0165000,6.59,CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1,0.0
28756,CO-ADD:0164541,6.59,CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12,0.0
28757,CO-ADD:0154553,6.59,OCCCC1CCNCC1.Cl,0.0
28758,CO-ADD:0216902,6.59,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c(cc3)ccc3Cl,0.0
28759,CO-ADD:0217206,6.59,C(F)(F)(COc1ccc(cc1NC(=O)c2cccc(F)c2)C(F)(F)F)C(F)F,0.0
28760,CO-ADD:0217238,6.59,C(=O)(c(cccc1C(=O)Nc2ccccc2O)c1)Nc3ccccc3O,0.0
28761,CO-ADD:0217246,6.59,c1(c(Br)cc(cc1Br)\C=N\c(cc2)ccc2\N=C\c(cc3Br)cc(c3OC(=O)c4ccc(cc4)C)Br)OC(=O)c5ccc(cc5)C,0.0
28762,CO-ADD:0217353,6.59,[N+](=O)([O-])c1cc2c(cc1\C=N\c3cc(C)c(cc3O)C)OCO2,0.0
28763,CO-ADD:0217369,6.59,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C/c(ccc2c3ccc(cc3Cl)Cl)o2)nc4Nc(cc5)ccc5OC)n4,0.0
28764,CO-ADD:0217304,6.59,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c(cccc5[N+](=O)[O-])c5O,0.0
28765,CO-ADD:0218439,6.59,N1(c2c(OC1=O)cccc2)C(OC)=O,0.0
28766,CO-ADD:0217951,6.59,c1(\C=N\NC(=O)C(C)Oc(ccc(c23)cccc2)c3)c[nH]c(ccc(Br)c4)c14,0.0
28767,CO-ADD:0226712,6.59,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc4cccc(SC)c4,0.0
28768,CO-ADD:0166251,6.59,[N+](=O)([O-])c(cc1)ccc1c(cc2)ccc2NC(=O)c3ccccc3C,0.0
28769,CO-ADD:0214913,6.59,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)N\N=C\c3ccc(cc3OC)OC,0.0
28770,CO-ADD:0215706,6.59,c1(C(OCC)=O)c(C)c(sc1\N=C\c(cc(Cl)cc2Cl)c2O)C(C)=O,0.0
28771,CO-ADD:0215114,6.59,C(=C/NNC(=O)c1ccc(cc1)Br)(/C2=O)\C(=O)NC(=S)N2,0.0
28772,CO-ADD:0215718,6.58,c1(NC(=O)c2ccc(cc2Cl)Cl)sc(c(C)c1C#N)C,0.0
28774,CO-ADD:0164528,6.58,NS(=O)(=O)Cc1noc2ccccc12,0.0
28776,CO-ADD:0154591,6.58,ClC1=NC2=CC(OC)=CC=C2C=C1C=O,0.0
28777,CO-ADD:0156552,6.58,Cl[Pt](P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C4=C5C6=CC=CC=C6C=C4)N[C@@H]5C,0.0
28778,CO-ADD:0216845,6.58,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)N\N=C\c3ccccc3Cl,0.0
28780,CO-ADD:0217032,6.58,n1c(c(cc2)ccc2C(C)(C)C)csc1N\N=C\c(cc3)ccc3Cl,0.0
28781,CO-ADD:0216985,6.58,C(=C\c(cccc1[N+](=O)[O-])c1)(/c2cccc(cccc3)c23)\C(=O)Nc4cc(C)ccc4C,0.0
28782,CO-ADD:0166073,6.58,c(\C=N\NC(=O)Cc1cccc(cccc2)c12)(c(cccc3)c3n4C)c4,0.0
28783,CO-ADD:0166064,6.58,C(=O)(Oc1ccc(cc1\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)Br)c3ccco3,0.0
28784,CO-ADD:0166083,6.58,c1(cc(O)ccc1O)\C(\C)=N\NC(COc2c(C)cccc2C)=O,0.0
28785,CO-ADD:0166122,6.58,c1(\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c(OCC)ccc(cccc3)c13,0.0
28786,CO-ADD:0166217,6.58,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(cc2)ccc2C,0.0
28787,CO-ADD:0166610,6.58,c1(OC)c(OC)ccc(\C=N\NC(COc2cccc(C)c2)=O)c1OC,0.0
28788,CO-ADD:0166491,6.58,c1(ccc(\C=N\NC(=O)c2ccc(cc2)OCCCCCCCCCC)o1)N(CC3)CCO3,0.0
28789,CO-ADD:0215370,6.58,C(C(=O)OC(C)C)(C1c2ccc(cc2)OC)=C(CSc3nc(C)c(c(C)c3C#N)C)OC(N)=C1C#N,0.0
28790,CO-ADD:0215759,6.58,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)S\C(\Nc3ccccc3)=N\c4ccccc4,0.0
28791,CO-ADD:0215783,6.58,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(=O)c(cc3)ccc3[N+](=O)[O-])o2)c1,0.0
28792,CO-ADD:0215831,6.58,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(Cl)c1Cl)C(NCCO)=O,0.0
28793,CO-ADD:0164589,6.58,C[C@]12CC[C@H]3[C@@H](CCc4cc(OS([O-])(=O)=O)ccc34)[C@@H]1CCC2=O.[Na+],0.0
28795,CO-ADD:0164690,6.58,CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C.[C@]12([C@@]3(O1)[H])[C@](C)([C@H](OC2=O)[C@H](OC4=O)[C@H]([C@H]45)C(C)=C)[C@]5(C3)O,0.0
28796,CO-ADD:0164438,6.58,CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)c2nccnc12)c1ccc(Cl)cn1,0.0
28797,CO-ADD:0164492,6.58,CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O,0.0
28798,CO-ADD:0164902,6.58,COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O.[Na+],0.0
28799,CO-ADD:0164369,6.58,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,0.0
28801,CO-ADD:0164503,6.58,CS(=O)(=O)OCCCCOS(C)(=O)=O,0.0
28802,CO-ADD:0217441,6.58,c1(c2ccc(cc2)Br)ccc(\C=N\NC(COc3c(OC)cc(cc3Br)Br)=O)o1,0.0
28803,CO-ADD:0217249,6.58,C(c1ccccc1)(=O)N\N=C\c(cc2)ccc2OCC(=O)c(cc3)ccc3c4ccccc4,0.0
28804,CO-ADD:0217449,6.58,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)c(cccn2)c2)c3ccco3,0.0
28805,CO-ADD:0217009,6.58,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c(cc3)ccc3C,0.0
28806,CO-ADD:0217170,6.58,C(C1)(C2c(cccn3)c3)=C(OC(N)=C2C#N)\C(\CN1C(C)C)=C\c(cccn4)c4,0.0
28807,CO-ADD:0217123,6.58,c1(C#N)c(c2ccc(cc2)Cl)c3c(nc1SCC(=O)Nc4ccc(cc4C)I)CCC3,0.0
28808,CO-ADD:0166740,6.58,c1(nc(Nc(ccc(c2C)C)c2)c(n3)NC(C)c4ccccc4)c3non1,0.0
28809,CO-ADD:0166020,6.58,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(cc2)ccc2O,0.0
28810,CO-ADD:0165996,6.58,N(c1ccc(cc1)OC)(Cc(c2c3)ccc3C(=O)N\N=C\c4cccc(Br)c4)C2,0.0
28811,CO-ADD:0166277,6.58,N(c1c(C)cc(cc1C)C)C(=O)c2cccs2,0.0
28812,CO-ADD:0166560,6.58,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)Nc3ccccc3OCC,0.0
28813,CO-ADD:0166558,6.58,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(NCCCC)=O,0.0
28814,CO-ADD:0166089,6.58,C(=N\NC(COc1c(C)cccc1C)=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
28815,CO-ADD:0215340,6.58,n(c1N)c(SCC(=O)Nc2ccccc2C)c(c(SC)n1)C#N,0.0
28816,CO-ADD:0215740,6.58,C(CSc1ccccn1)(=O)NCC(c2ccccc2)=O,0.0
28817,CO-ADD:0164767,6.58,CNCC(O)c1ccc(O)c(O)c1,0.0
28818,CO-ADD:0164733,6.58,Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O.O.Cl,0.0
28819,CO-ADD:0164749,6.57,Cn1nnc2c(ncn2c1=O)C(N)=O,0.0
28820,CO-ADD:0164697,6.57,OC[C@@H]1CC[C@@H](O1)n1cnc2c(O)ncnc12,0.0
28821,CO-ADD:0164913,6.57,Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1,0.0
28822,CO-ADD:0217526,6.57,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(=O)c(c3)cc(cn3)Br)o2,0.0
28823,CO-ADD:0158236,6.57,O=C(CCCC1=CC(C)=C(OC)C=C1)NC2=CC3=CC=CC=C3C=C2,0.0
28824,CO-ADD:0157989,6.57,NC1=C(C(C2=CC=CC=C2)=O)SC3=NC(C4=CC=CC=C4)=CC(C(C=C5)=CC=C5OC)=C13,0.0
28825,CO-ADD:0158021,6.57,O=S(N=C1OC2=C(C)C=CC(C)=C2)(C3=C1C=CC([N+]([O-])=O)=C3)=O,0.0
28826,CO-ADD:0158014,6.57,O=C(C1=CC(C(O)=O)=CC=C21)N(NC(C3=CC=NC=C3)=O)C2=O,0.0
28827,CO-ADD:0158022,6.57,O=S(N=C1NCCOC)(C2=C1C=CC([N+]([O-])=O)=C2)=O,0.0
28828,CO-ADD:0217257,6.57,c(cc(cccc1C)c1n2)(C(=O)N\N=C(/C)\CC(=O)Nc3ccccc3CC)c2C,0.0
28829,CO-ADD:0216826,6.57,n1c(N\N=C\c2ccc(cc2Cl)Cl)sc(CCC)c1c3ccccc3,0.0
28830,CO-ADD:0217478,6.57,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccccc3Br)=C\c4cccs4,0.0
28831,CO-ADD:0217039,6.57,N(c1cccc(C)c1)(C2=O)C(=O)c3c2c(Br)c(c(Br)c3Br)Br,0.0
28832,CO-ADD:0216982,6.57,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(\CCC(OCC)=O)/c2ccc(c(C)c2)C)[N+](=O)[O-],0.0
28833,CO-ADD:0217038,6.57,N(c1cccc(I)c1)(C2=O)C(=O)c3c2c(Br)c(c(Br)c3Br)Br,0.0
28834,CO-ADD:0166179,6.57,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(cc3)ccc3Br,0.0
28835,CO-ADD:0166315,6.57,N(c1c(C)cccc1C)C(=O)C(NCCC(C)C)=O,0.0
28836,CO-ADD:0166749,6.57,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3Oc(cc4)ccc4N\C=C(\C(C)=NN5c6ccc(cc6)C)/C5=O,0.0
28837,CO-ADD:0166141,6.57,c1(Br)ccc(\C=N\NC(COc(cc2)ccc2Cl)=O)o1,0.0
28838,CO-ADD:0166655,6.57,C(C#N)(C1c2ccc(cc2)SC)=C(N)OC(C)=C1C(C)=O,0.0
28839,CO-ADD:0166618,6.57,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNc(cc2)ccc2I)=O,0.0
28840,CO-ADD:0165850,6.57,[C@@H]1(C(C)(C)[C@H](C1)[C@H]2CO)C[C@H]2S\N=C\c(ccc([N+](=O)[O-])c3)c3,0.0
28841,CO-ADD:0166572,6.57,C1(C(C1)CCCC)C(=O)Nc(cc2)ccc2[N+](=O)[O-],0.0
28843,CO-ADD:0164423,6.57,CN(C)CC\C=C1/c2ccccc2COc2ccccc12.Cl,0.0
28844,CO-ADD:0217976,6.57,N1(c2ccc(cc2)C)C(=O)CSC1c3ccccc3,0.0
28845,CO-ADD:0218481,6.57,c1(Cl)cc(Cl)ccc1\C=N\NC(CCc2ccccc2)=O,0.0
28846,CO-ADD:0218506,6.57,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c(cc2)ccc2Cl,0.0
28847,CO-ADD:0217566,6.57,[N+](=O)([O-])c(c(C)cc(c1c2ccc(\C=N\n(cnn3)c3)o2)C)c1,0.0
28848,CO-ADD:0217679,6.57,N1(Cc2ccccc2)C(=O)c3c(N(Cc4ccccc4)C1=O)cccc3,0.0
28849,CO-ADD:0216823,6.57,n1c(c2ccc(cc2)Br)csc1N\N=C\c3ccc(cc3OC)OC,0.0
28850,CO-ADD:0217596,6.57,c1(OC)c(OC)ccc(\C=N\NC(COc2cccc(Cl)c2)=O)c1OC,0.0
28851,CO-ADD:0216844,6.57,C(=O)(N\N=C\c(cc1)ccc1C(O)=O)C(=O)Nc2cccc(OC)c2,0.0
28852,CO-ADD:0217636,6.57,C(COc(cc1)ccc1C(C)CCC)(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
28853,CO-ADD:0217350,6.57,C1(\N=C\c(ccc(c2[N+](=O)[O-])OC(=O)c3cccc(C)c3)c2)=C(C)N(N(c4ccccc4)C1=O)C,0.0
28854,CO-ADD:0216931,6.57,C(=O)(N\N=C\c(ccc(c1Cl)Cl)c1)C(=O)Nc(ccc(c23)cccc2)c3,0.0
28855,CO-ADD:0217359,6.57,c1(N(CC2)CCO2)nc(N\N=C\c(cc3OC)cc(c3O)Br)nc(Nc(cc4)ccc4OC)n1,0.0
28856,CO-ADD:0217299,6.57,c1(ccccc1NC(=O)c2ccc(cc2)CCCCCC)C(=O)OCC(c3ccccc3)=O,0.0
28857,CO-ADD:0158239,6.57,O=C(C1=CC=CO1)NC2=NN=C(CCC)S2,0.0
28858,CO-ADD:0215524,6.57,C(=O)(N\N=C\c(cc1)ccc1C(O)=O)C(=O)Nc(ccc(c2C)C)c2,0.0
28859,CO-ADD:0214924,6.57,C(=O)(N1CCC(CC1)C)C(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
28860,CO-ADD:0214940,6.57,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2cccc(c2)\C=N\NC(=O)c3cccc(O)c3)c1,0.0
28861,CO-ADD:0215424,6.56,c1(N\N=C\c2ccco2)[nH]c(c3n1)cccc3,0.0
28862,CO-ADD:0214904,6.56,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc4cccc(C)c4,0.0
28863,CO-ADD:0215485,6.56,C(=O)(N\N=C(/C)\CC(NCC=C)=O)C(NCCO)=O,0.0
28864,CO-ADD:0166395,6.56,C1(C(=O)Nc2ccccc2[N+](=O)[O-])C(C13)CC\C=C\CC\C=C/CC3,0.0
28865,CO-ADD:0164867,6.56,CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34.CS(=O)(=O)O,0.0
28866,CO-ADD:0164899,6.56,Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O,0.0
28867,CO-ADD:0164923,6.56,CCOC(=O)c1cncn1[C@H](C)c1ccccc1,0.0
28868,CO-ADD:0214997,6.56,C(/C1)(=C\c(cc2)ccc2OCc3ccccc3)\c(cc4)c(c1ccc5)c5c4[N+](=O)[O-],0.0
28869,CO-ADD:0217733,6.56,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(cc1)ccc1N(C)c2ccccc2,0.0
28870,CO-ADD:0215182,6.56,N1(CNc(cccc2C(OC)=O)c2)C(=O)c3c(cc(cc3)Br)C1=O,0.0
28871,CO-ADD:0217028,6.56,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2C(C)C)CC(=O)N\N=C\c(cc(OCO3)c3c4)c4Br,0.0
28872,CO-ADD:0217052,6.56,C(N(C)C)(=S)Oc(cccc1C(=O)Nc2ccccc2F)c1,0.0
28873,CO-ADD:0217576,6.56,C(=O)(N\N=C\c1cccc(Cl)c1Cl)c2ccc(cc2)OCc3cccc(OC)c3,0.0
28875,CO-ADD:0217481,6.56,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C/c3ccccc3C,0.0
28876,CO-ADD:0214920,6.56,C(=O)(N\N=C\c(cc1)ccc1F)C(CO)NC(OCc2ccccc2)=O,0.0
28877,CO-ADD:0215533,6.56,S(=O)(=O)(c1ccc(cc1)C)Oc2cc(ccc2\C=N\NC(c3ccccc3)=O)OS(=O)(=O)c4ccc(cc4)C,0.0
28878,CO-ADD:0166646,6.56,C(C1c2ccccc2)([N+](=O)[O-])=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
28879,CO-ADD:0166417,6.56,c(\C=N\NC(CSCc1ccccc1Br)=O)(cc(OCO2)c2c3)c3Br,0.0
28880,CO-ADD:0166427,6.56,C(=O)(Nc(cc1)ccc1OCCCCC)c(cc2OC)cc(c2OC)OC,0.0
28881,CO-ADD:0166299,6.56,c1(C(=O)NCc2ccco2)c(Cl)c3c(cccc3)s1,0.0
28882,CO-ADD:0164372,6.56,COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,0.0
28883,CO-ADD:0164812,6.56,CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c3ccc(C)cc3.CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c3ccc(C)cc3.OC(C(O)C(=O)O)C(=O)O,0.0
28884,CO-ADD:0164837,6.56,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H]2N(CCCCn3cnc(c3)-c3cccnc3)C(=O)O[C@]12C)OC,0.0
28885,CO-ADD:0217682,6.56,S(=O)(=O)(c1ccc(cc1)I)NC(CC(C)C)C(NCCCCC)=O,0.0
28886,CO-ADD:0215203,6.56,C(N)(=O)N\N=C\c1ccccc1F,0.0
28887,CO-ADD:0217521,6.56,c1(N(CC2)CCO2)nc(N\N=C/c(c3)c(O)c(cc3[N+](=O)[O-])Br)nc(Nc4ccccc4)n1,0.0
28888,CO-ADD:0215475,6.56,C(Oc(cc1)ccc1C(=O)Nc2ccccc2F)(=S)Nc(cc3)ccc3Br,0.0
28889,CO-ADD:0166392,6.56,C(CSCc1ccccc1Cl)(=O)N\N=C\c2ccccc2OCc3ccccc3,0.0
28890,CO-ADD:0166771,6.56,c1(NC(=O)c2cc(Cl)cc(Cl)c2OC)sc(c3c1C(OCC)=O)CCCC3,0.0
28891,CO-ADD:0166330,6.56,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)NCc3ccccn3,0.0
28892,CO-ADD:0166272,6.56,C(=O)(c1cccs1)Nc2c(OC)ccc(OC)c2,0.0
28893,CO-ADD:0164507,6.56,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,0.0
28894,CO-ADD:0164997,6.55,CC(C)NCC(O)COc1cccc2[nH]ccc12,0.0
28895,CO-ADD:0164536,6.55,OC(=O)CCNC(=O)c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O,0.0
28896,CO-ADD:0164968,6.55,Oc1nc2ccccc2n1C1=CCN(CCCC(=O)c2ccc(F)cc2)CC1,0.0
28897,CO-ADD:0164584,6.55,Cc1c(O)c(=O)ccn1C,0.0
28898,CO-ADD:0164778,6.55,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,0.0
28899,CO-ADD:0215184,6.55,N1(CNc2ccccc2C(OC)=O)C(=O)c3c(cc(cc3)Br)C1=O,0.0
28900,CO-ADD:0214992,6.55,S(OC)(=O)(=O)c(ccc(c12)OC(OCC)C1(C)C)c2,0.0
28901,CO-ADD:0217712,6.55,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OC(c3ccccc3)=O)c4ccc(cc4C)C,0.0
28902,CO-ADD:0158298,6.55,[O-][N+](C1=CC(C(OC2=CC(CCC/3)=C(C=C2C)C3=N\OC(C4=CC([N+]([O-])=O)=C(OC)C=C4)=O)=O)=CC=C1OC)=O,0.0
28903,CO-ADD:0215387,6.55,n1c(ccc(C#N)c1SCC(=O)Nc(cc2)ccc2OC)c3cccs3,0.0
28904,CO-ADD:0215499,6.55,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(=O)C(=O)NCc(cc3)ccc3Cl,0.0
28905,CO-ADD:0215606,6.55,C(=O)(c1cccc(c1)OC(NCc2ccccc2)=S)Nc3cccc(C)c3,0.0
28906,CO-ADD:0215503,6.55,C(=O)(N\N=C\c(cc(OCO1)c1c2)c2Br)C(=O)Nc(cc3)ccc3OC,0.0
28907,CO-ADD:0166320,6.55,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)C(=O)Nc3ccccc3CC,0.0
28909,CO-ADD:0164665,6.55,C[N+]1(C)CCN(CC1)c1ccccc1.[I-],0.0
28910,CO-ADD:0164681,6.55,CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12.OC(=O)/C=C\C(=O)O,0.0
28911,CO-ADD:0164578,6.55,CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)cccc1[C@@]3(C)O,0.0
28912,CO-ADD:0158129,6.55,O/C(C(C=C1)=CC=C1OC)=C/C=N/C2=CC=C(I)C=C2,0.0
28913,CO-ADD:0158153,6.55,[O-][N+](C1=CC=CC(/C=N/NC(CSCC2=CC=C(C=C2)Cl)=O)=C1)=O,0.0
28914,CO-ADD:0215048,6.55,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cccc2C(=O)c3ccc(c(C)c3)C)c2,0.0
28915,CO-ADD:0215056,6.55,c1(C(O)=O)cc(ccc1C(O)=O)C(=O)c(cc2)ccc2NC(=O)c(cc(cc3NC(c4ccccc4)=O)NC(c5ccccc5)=O)c3,0.0
28916,CO-ADD:0217684,6.55,[N+](=O)([O-])c1ccc(cc1)\N=C\c(cc2)ccc2OC(=O)c(cc3)ccc3C(=O)Oc(cc4)ccc4\C=N\c(cc5)ccc5[N+](=O)[O-],0.0
28917,CO-ADD:0214999,6.55,O1C(=O)c(cc2)c(c(ccc3C(=O)\C=C\c(cc4)ccc4Cl)C1=O)c3c2,0.0
28918,CO-ADD:0215415,6.55,C(C#N)(C1c2cccc(OC)c2)=C(N)OC(\C(\CCC3)=C\c4cccc(OC)c4)=C13,0.0
28919,CO-ADD:0215410,6.55,C12(c3c(NC1=O)cccc3)C4=C(CC(C)(C)CC4=O)OC(N)=C2C(OCC)=O,0.0
28920,CO-ADD:0214898,6.55,N1(c(cc2)ccc2N(C)C)C(=O)c3c(c4C1=O)c(ccc3)c(cc4)Br,0.0
28921,CO-ADD:0215382,6.55,c(C(=O)Nc1cccc(C)c1)(c(N)c(c23)ccc(c4cccs4)n2)s3,0.0
28922,CO-ADD:0158225,6.55,O=C(N/N=C/C(C=CC=C1)=C1OCCCC)C2C(C3=CC=CC=C3)(C4=CC=CC=C4)C2,0.0
28923,CO-ADD:0159657,6.55,O=C(N/C1=N/C2=CC=CC=C2)/C(S1)=C/C3=C(C)N(C(C)=C3)C(C=C4)=CC=C4C(F)(F)F,0.0
28924,CO-ADD:0159667,6.55,CC1=C(C=C(C)N1C2=CC=C(OC)C=C2)CN(CC3)CCC43C5=C(SC=C5)CCO4,0.0
28925,CO-ADD:0215249,6.55,c1(c(cc2)ccn2)oc(cn1)c3ccc(cc3)Cl,0.0
28926,CO-ADD:0215257,6.55,C(NCCOc(ccc(c1C)C)c1)(=O)c2ccc(cc2)OCCCC,0.0
28927,CO-ADD:0217705,6.55,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)c3ccc(c(OC)c3)OC,0.0
28928,CO-ADD:0156621,6.55,O=C(C1=C2C(C=CC=C2)=CC=C1)NC(C(O)=O)CCCC3=CC=CC=C3,0.0
28929,CO-ADD:0215438,6.55,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(c(OC)ccc3[N+](=O)[O-])c3,0.0
28930,CO-ADD:0215752,6.55,[N+](=O)([O-])c(cc1)ccc1C(=O)CSc2nc(C)cc(C)n2,0.0
28931,CO-ADD:0215665,6.55,C(=O)(N\N=C\c(cc1)ccc1C(C)C)C(=O)Nc2cc(C)ccc2C,0.0
28932,CO-ADD:0215297,6.55,c1(NC(CSc2nc(C)cc(C(F)(F)F)c2C#N)=O)nnc(CC)s1,0.0
28933,CO-ADD:0215689,6.55,n1(CCN(Cc2ccccc2)Cc3ccccc3)c(ccc(c4)C(OCC)=O)c4c(CCCC5=O)c15,0.0
28934,CO-ADD:0166082,6.55,c12c(c(ccc1)CC3)c3ccc2\C(\C)=N\NC(=O)Cc4cccc(cccc5)c45,0.0
28935,CO-ADD:0215320,6.55,c(C#N)(c1c2cccs2)c(SCc(cc3)ccc3C(C)(C)C)nc(N)c1C#N,0.0
28936,CO-ADD:0164601,6.54,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C,0.0
28937,CO-ADD:0164659,6.54,CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O,0.0
28938,CO-ADD:0164667,6.54,CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12,0.0
28939,CO-ADD:0159671,6.54,FC(F)(C(O)=O)F.FC(F)(C(O)=O)F.O=C1N(CC)C(C2=CC=C(N3N=NC(CN4CCN([H])CCCN(CC5=CN(C6=CC=C(C(N7CC)=O)C(C6=CC=C8)=C8C7=O)N=N5)CCN([H])CCC4)=C3)C9=CC=CC1=C29)=O,0.0
28940,CO-ADD:0217721,6.54,C(CCCc1ccccc1)(=O)Nc2cccc(OC)c2,0.0
28941,CO-ADD:0215049,6.54,[C@@H]1([C@@H](CCCCC(O)=O)SC[C@H]1NC(OC)=O)NC(OC)=O,0.0
28942,CO-ADD:0217745,6.54,N1(CN(C)C2CCCCC2)c(cccc3)c3\C(=N\c4cccc(C)c4C)\C1=O,0.0
28943,CO-ADD:0164695,6.54,N[C@@H](C(=O)N[C@H]1[C@H]2SCC(CSc3c[nH]nn3)=C(N2C1=O)C(O)=O)c1ccc(O)cc1.CC(O)CO,0.0
28944,CO-ADD:0320680,6.54,c1(ccnn1C)C(NCCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)=O,0.0
28945,CO-ADD:0324090,6.54,n1c(SCC(=O)c2ccc(c(C)c2)OC)nc(c3c1O)cccc3,0.0
28946,CO-ADD:0324419,6.54,N1(c2ccc(cc2)OC(F)(F)F)C(=O)\C(\SC1=N)=C\c(cc(OCO3)c3c4)c4Br,0.0
28947,CO-ADD:0323579,6.54,C1(c2ccccc2Cl)=N\C(\C(=O)O1)=C\c(cc3)ccc3OCC(N)=O,0.0
28948,CO-ADD:0320028,6.54,C(OC)(F)(C(F)(F)F)C(=O)Nc1ccc(c(cccn2)c12)Br,0.0
28949,CO-ADD:0320640,6.54,C12(C=Cc(c(ccc3[N+](=O)[O-])O1)c3)C(C)(C)c(c4N2CC(=O)NCc(cc5)ccc5Cl)cccc4,0.0
28950,CO-ADD:0324113,6.54,C1(CCCC1)(N(c2ccc(cc2)OC)C(=O)CNC(c3ccccc3)=O)C(=O)Nc4ccccc4,0.0
28951,CO-ADD:0324366,6.54,N1(C)\C(=N\C)\S\C(=C/c(cc2OC)cc(c2OCc3cccc(I)c3)Cl)\C1=O,0.0
28952,CO-ADD:0324382,6.54,N1(C(CC2(C)C)CC(N2)(C)C)CN(CC1=O)C3CCCCC3,0.0
28953,CO-ADD:0320700,6.54,N1(Cc2ccccc2)\C(=N/c(cc3)ccc3F)\SC(C(=O)Nc4ccccc4)CC1=O,0.0
28954,CO-ADD:0320661,6.54,c1(C2c3ccc(cc3)F)c([nH]nc1c4ccc(cc4OCC)OCC)OC(N)=C2C#N,0.0
28955,CO-ADD:0319662,6.54,C1(C2c(cc3)ccc3C(OC)=O)=C(CC(c4ccccc4)CC1=O)Nc(c5N2C(CC)=O)cccc5,0.0
28956,CO-ADD:0319714,6.54,c(C(N)=O)(c1OC)c(SC)sn1,0.0
28957,CO-ADD:0320058,6.54,N1(CCCCCCCCN2C(C)(O)C(OC2=O)(C)C)C(C)(O)C(OC1=O)(C)C,0.0
28958,CO-ADD:0323688,6.54,c1(NC(NCCCC)=O)c(Cl)nc(c(Cl)c1C)C,0.0
28959,CO-ADD:0323740,6.54,S(=O)(=O)(c1ccc(cc1)C)N2Cc3c(CC2C(=O)NCc(cc4)ccc4Br)cccc3,0.0
28960,CO-ADD:0319766,6.54,C(Nc(cc1)ccc1OC(F)(Cl)F)(C(OCC)=O)(C(F)(F)F)NC(=O)c2ccccc2F,0.0
28961,CO-ADD:0319806,6.54,c([N+](=O)[O-])(nn(c1C(=O)Nc2scc(c3ccccc3)c2C(OCC)=O)Cc4ccccc4)c1,0.0
28962,CO-ADD:0324895,6.54,c12c(CCC(C)C1)oc(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c23,0.0
28963,CO-ADD:0324056,6.54,c12c(ccc(C(CN)OC)c1)OCCO2.Cl,0.0
28964,CO-ADD:0324364,6.54,c1(C(NCCOC(C2)(C3)CC(CC3C4)CC24)=O)c(OC)cc(c5c1)cccc5,0.0
28965,CO-ADD:0324876,6.54,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c3ccccc3OCCOc4cccc(OC)c4)\C1=N,0.0
28966,CO-ADD:0319831,6.54,c(cc1Cl)(OC(=O)C=C2C)c2cc1OC(CCCC)=O,0.0
28967,CO-ADD:0319732,6.54,c1(NC(=O)C(OC)(F)C(F)(F)F)sc(c(CCN2Cc3ccccc3)c1C#N)C2,0.0
28968,CO-ADD:0320038,6.54,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])N3N1CCC3,0.0
28969,CO-ADD:0323694,6.54,S(NCCN(CCCC)CCCC)(=O)(=O)c1ccc(c2c1cccn2)OC,0.0
28970,CO-ADD:0319808,6.54,c([N+](=O)[O-])(nn(c1C(=O)Nc(c(Cl)ccc2C(F)(F)F)c2)Cc3ccccc3)c1,0.0
28971,CO-ADD:0323893,6.54,N(C(=O)\C(\S1)=C/c(cc2)ccc2Cl)=C1N(CC3)CCN3c4ccccc4C,0.0
28972,CO-ADD:0320646,6.53,C(=N/c1ccccc1)(/SC(C(=O)Nc(cc2)ccc2OC(Cl)(F)F)CC3=O)\N3CCCCCCC,0.0
28973,CO-ADD:0320695,6.53,o1c(SCC(=O)c2cccc(cccc3)c23)nnc1c4cccc(Br)c4,0.0
28974,CO-ADD:0285757,6.53,c1(oc(c2n1)c(O)c(cc2C(C)(C)C)C(C)(C)C)c3cc(Cl)cc(Cl)c3O,0.0
28975,CO-ADD:0286454,6.53,n1c(c2ccc(cc2)Cl)csc1\C(\C#N)=C\C3CCCCC3,0.0
28976,CO-ADD:0229311,6.53,c1(ccc(c(C)c1)OC)C(=O)c(cc2)ccc2C(=O)c3ccc(c(C)c3)OC,0.0
28977,CO-ADD:0231413,6.53,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(cccc4[N+](=O)[O-])c4,0.0
28978,CO-ADD:0231169,6.53,C(CCCCCCCCCCCCCCCCCCCCC)(=O)NC1CCCCC1,0.0
28979,CO-ADD:0236169,6.53,S(=O)(=O)(c1ccc(cc1)OCCC)NC(=O)NCc(cc2)ccc2OCC,0.0
28980,CO-ADD:0227134,6.53,N1(c2ccc(c(C)c2)Br)C(=O)c(c(cc(c3C4=O)C(N4c5ccc(c(C)c5)Br)=O)C1=O)c3,0.0
28981,CO-ADD:0135780,6.53,CCCCC(N(CCC)CCC)=O,0.0
28982,CO-ADD:0136070,6.53,O=C1C=C(C(C)(CCC2)C(=C1)C2(C)C)OCCO,0.0
28983,CO-ADD:0286347,6.53,P(COCCCCCOCP(c1ccccc1)(c2ccccc2)=O)(c3ccccc3)(c4ccccc4)=O,0.0
28984,CO-ADD:0136230,6.53,c1(Cl)nc([nH]nc2)c2c(NCCc3ccccc3)n1,0.0
28985,CO-ADD:0136660,6.53,n1ccc(C)cc1NC(c(ccc(ccc2)c3n2)c3O)c(ccc4)cc4,0.0
28986,CO-ADD:0136844,6.53,N1(C(NN=C(C)/c2nccnc2)=S)CC(CCC3C1)CC3,0.0
28987,CO-ADD:0136705,6.53,n1ccccc1c2nc(c3ccccn3)nc(c4ccccn4)n2,0.0
28988,CO-ADD:0136833,6.53,N1=C(NC(C)=O)N([H])C(C)=C(CCCOc(ccc([N+](=O)[O-])c2)c2)C1=O,0.0
28989,CO-ADD:0288741,6.53,C1(CC(CC23)CC(C2)C1)(C3)CCn4c(c5ccncc5)ncc4C,0.0
28990,CO-ADD:0288805,6.53,C1CCC(C1)C(=O)NCC#C,0.0
28991,CO-ADD:0286757,6.53,C(=C(\C)/NNC(c(cc1)ccn1)=O)(/C(=O)C2)\C(=O)CC2(C)C,0.0
28992,CO-ADD:0236265,6.53,c(CSc1nc(C)cc(C)n1)(c(C)c2C)c(C)c(c2CSc3nc(C)cc(C)n3)C,0.0
28993,CO-ADD:0231131,6.53,N1(C(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc(cc3)C)C(N1C(=O)c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4)c5ccccc5O,0.0
28994,CO-ADD:0236597,6.53,C1(C2c(cco3)c3)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
28995,CO-ADD:0234706,6.53,c1(c(Br)cc(cc1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
28996,CO-ADD:0231412,6.53,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4cc(Cl)ccc4O,0.0
28997,CO-ADD:0227130,6.53,c1(oc(c2c1NC(C)=O)ccc(Br)c2)C(=O)c3cc(c4o3)cccc4,0.0
28998,CO-ADD:0287695,6.53,N1(c2c(cccc2)CCc(cccc3)c13)C(=O)\C=C\c4ccco4,0.0
28999,CO-ADD:0136238,6.53,O=C1c2c(C(=O)N1CCc3ccc(CC)cn3)cccc2,0.0
29000,CO-ADD:0286134,6.53,n1c2c(cccc2)ccc1C(NCCOc3ccccc3C)=O,0.0
29001,CO-ADD:0136857,6.53,O=C1c2c(C(=O)N1C(Cc(cn3[H])c(ccc4)c3c4)C(O)=O)cccc2,0.0
29002,CO-ADD:0136945,6.53,S(c1ccccc1N)C(C(=O)N2c3ccc(c(c3)Cl)Cl)CC2=O,0.0
29003,CO-ADD:0286773,6.53,c1(C(O)=O)c(cc(cc2)OCc3ccccc3)c2n(C)c1C,0.0
29004,CO-ADD:0286254,6.53,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCN3CC)C1=O,0.0
29005,CO-ADD:0232928,6.53,c1(\N=C\c(cc2)ccc2O)n(c3ccccc3)nc(c4ccccc4)c1c5ccccc5,0.0
29006,CO-ADD:0236767,6.53,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc2)ccc2OC)c3ccc(cc3OC)OC,0.0
29007,CO-ADD:0232941,6.53,C1(Nc2ccccc2NC3OC(CO)C(C(O)C3O)O)OC(CO)C(C(O)C1O)O,0.0
29008,CO-ADD:0291188,6.53,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc(cc4)c(Cl)cc4[N+](=O)[O-])c1Cl,0.0
29009,CO-ADD:0291021,6.53,S(=O)(=O)(c1ccc2c(ccc(OC)c2)c1)N(CC3)CCN3c4ccc(cc4)F,0.0
29010,CO-ADD:0290933,6.53,C1(C)(C(=O)Nc2ccc(cn2)C)CC1(Cl)Cl,0.0
29011,CO-ADD:0234861,6.53,C(c(cc1)ccc1\C=N\c2ccc(cc2Cl)Cc(ccc(c3Cl)\N=C\c(cc4)ccc4C#Cc5ccccc5)c3)#Cc6ccccc6,0.0
29012,CO-ADD:0236712,6.53,c(C(OC)=O)(c1c2cccc1)c(C\C=C(\C)/C)c(n2)C,0.0
29013,CO-ADD:0230920,6.53,n1(c2c(nn1)cccc2)[C@H]3C(=O)C=C(C[C@@H]3c4cccs4)c5cccs5,0.0
29014,CO-ADD:0288485,6.53,c1(C(CCCN2)C2)ncc(C)n1Cc(ccc(OC)c3OC)c3.Cl.Cl,0.0
29015,CO-ADD:0288822,6.53,C1(CCCCC1)C(NCC#C)=O,0.0
29016,CO-ADD:0289353,6.53,c1(C(=O)Nc2ccccc2)nnc(C(CC3)CCN3)s1,0.0
29017,CO-ADD:0136262,6.52,O=[As](O)(c(cc(N)cc1)c1)c(cccc2)c2,0.0
29018,CO-ADD:0136071,6.52,n1([H])c(ccc(OC)c2)c2cc1c(cccc3)c3,0.0
29019,CO-ADD:0136503,6.52,C1=C(C)N([H])c2n(nc(c3ccc(C(C)(C)C)cc3)c2)C1=O,0.0
29020,CO-ADD:0137036,6.52,C(OC(CC(NC(CCCCC(NC(CC(OCC)=O)=O)(C)C)(C)C)=O)=O)C,0.0
29021,CO-ADD:0136714,6.52,N1(S(=O)(=O)c(cc(c2c3)nc(SC)s2)c3)CCCCC1,0.0
29022,CO-ADD:0136802,6.52,Clc1ccc(c2nc(NC(CN3CCCC3)=O)sc2)cc1,0.0
29023,CO-ADD:0137164,6.52,O=C(C=C([C@@](NC(C)=O)(CCc(c1c2OC)cc(OC)c2OC)[H])C1=C3)C(OC)=C3,0.0
29024,CO-ADD:0136029,6.52,n1ccc(c(c1)nc2c(c(N)ccc3)c3)n2[H],0.0
29025,CO-ADD:0135822,6.52,n1cnc2c(cn[nH]2)c1NCc3ccco3,0.0
29026,CO-ADD:0137157,6.52,N1(C(=O)C(CN2C)=CCC2)c(c(ccc3)Sc(ccc4Cl)c1c4)c3.N1(C(=O)C(CN2C)=CCC2)c(c(ccc3)Sc(ccc4Cl)c1c4)c3.C(CCC(O)=O)(O)=O,0.0
29027,CO-ADD:0237398,6.52,CCN(CC)C(=O)N1CCN(C)CC1,0.0
29028,CO-ADD:0237399,6.52,Clc1ccc2nc(cc(c2c1)C(=O)NCCN1CCCC1)NCCN1CCOCC1,0.0
29029,CO-ADD:0236197,6.52,C(C#N)(C(c(ccs1)c1)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
29030,CO-ADD:0236229,6.52,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(=O)NC3CC3)c4ccccc4,0.0
29031,CO-ADD:0236361,6.52,N1(c2ccccc2)C(=O)\C(\SC1=S)=C\c(ccc3c4cccc(Cl)c4Cl)o3,0.0
29032,CO-ADD:0236292,6.52,c1(C#N)c2c(sc1\N=C\c(cc(I)cc3I)c3OC)CCCC2,0.0
29033,CO-ADD:0233018,6.52,[N+](=O)([O-])c1ccc(cc1)\C=N\c(cccc2NC(=O)c(cc3)ccc3C(C)(C)C)c2,0.0
29034,CO-ADD:0236579,6.52,C(C#N)(=C(N)Oc1c2c(O)ccc1\C=N/c3ccccc3)C2c(cccc4[N+](=O)[O-])c4,0.0
29035,CO-ADD:0234610,6.52,c1(ccc(\C=N\NC(COc(cc2)ccc2Cl)=O)o1)c3ccc(cc3Cl)Cl,0.0
29036,CO-ADD:0288713,6.52,Cn(c1C)c(CCC2NCCC2)nc1.Cl.Cl,0.0
29037,CO-ADD:0299664,6.52,N1(CC(=O)N2CCCCC2)C(=O)N(C(=O)N1CC(=O)N3CCCCC3)c4ccccc4,0.0
29038,CO-ADD:0137044,6.52,O1C(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1(COC(C)=O)c(ccc(C)c2)c2,0.0
29039,CO-ADD:0136440,6.52,c1c(NC(=S)Nc(cc(OC)cc2)c2)ccc(O)c1,0.0
29040,CO-ADD:0136560,6.52,[H][C@@]12[C@](CCCC1)(CCCN2S(=O)(=O)c(cc(CCCN3[H])c3c4)c4)[H],0.0
29041,CO-ADD:0136401,6.52,N1(C(CCl)=O)CC(=O)N([H])c(cc(C)c2C)c1c2,0.0
29042,CO-ADD:0137046,6.52,n1ccccc1C(C)C2=C(CCN(C)C)Cc(cccc3)c23.C(=C/C(O)=O)/C(O)=O,0.0
29043,CO-ADD:0137120,6.52,c12c(cc(C(OC)=O)n1S(c3ccc(C)cc3)(=O)=O)c(c(C(OCc4ccccc4)=O)c[nH]5)c5C(=O)C2=O,0.0
29044,CO-ADD:0135866,6.52,n1cnc(c(cn2)c1N)n2C(CCC3)CC3,0.0
29045,CO-ADD:0237319,6.52,COc1cncc(c1)c2cncc(n2)N3CCN(CC3)c4ccncc4,0.0
29046,CO-ADD:0291362,6.52,c1(SCC(=O)NCC(c(cccc2)c2C(N3)=O)=N3)oc(c4n1)cccc4,0.0
29047,CO-ADD:0287754,6.52,N1(c2ccc(c(Cl)c2)C)C(=O)C(C3C1=O)C4C5C(C5)C3C=C4,0.0
29048,CO-ADD:0227628,6.52,n1c2c(oc1c3ccc(cc3)\N=C\c4cccc(F)c4O)ccc(Cl)c2,0.0
29049,CO-ADD:0227623,6.52,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c4cccc(F)c4O,0.0
29050,CO-ADD:0230964,6.52,c1(Nc2ccc(cc2OC)OC)nc(Cl)nc(NCc(cccn3)c3)n1,0.0
29051,CO-ADD:0234618,6.52,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c3ccco3,0.0
29052,CO-ADD:0233286,6.51,N1(c2ccc(cc2)C)C(=O)C(CC1=O)Nc(cc3)ccc3C,0.0
29053,CO-ADD:0288907,6.51,c1(nc([N+](=O)[O-])cn1Cc(n2Cc3cc(F)ccc3)ncc2C)C,0.0
29054,CO-ADD:0299858,6.51,[N+](=O)([O-])c1ccc(cc1)COc2c(OCC)cc(cc2I)C=O,0.0
29055,CO-ADD:0136417,6.51,O=C(O)c1c(O)cc(NC(c2ccccc2)=O)cc1,0.0
29056,CO-ADD:0136433,6.51,O=C1c2c(c(ccc2)ccc3)c3C=C1Br,0.0
29057,CO-ADD:0136529,6.51,c1(c2ccccc2)nn(c(CC(=O)OCC)cs3)c3n1,0.0
29058,CO-ADD:0135794,6.51,c1ccc(c(C#N)ncc2Cl)c2c1,0.0
29059,CO-ADD:0135898,6.51,S=C1N(C(CC(OC)=O)=C(C(OC)=O)N1[H])[H],0.0
29060,CO-ADD:0286082,6.51,N1(c2ccc(cc2)Br)C(=O)CC(N(CCCN3C)CC3)C1=O,0.0
29061,CO-ADD:0237107,6.51,COC(=O)c1ccc(F)cc1NS(=O)(=O)c2cccc(c2)c3cnn(Cc4ccccc4)c3,0.0
29062,CO-ADD:0237109,6.51,Cc1nn2c(O)c3CCCCc3nc2c1c4ccc(F)cc4,0.0
29063,CO-ADD:0237046,6.51,Clc1ccc(cc1)S(=O)(=O)c2oc(nc2C#N)c3ccccc3,0.0
29064,CO-ADD:0231044,6.51,N(C(=O)\C=C\c(cccc1Oc2ccccc2)c1)c3cccc(cccc4)c34,0.0
29065,CO-ADD:0231033,6.51,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2ccccc2\C=N/NC(=O)c3ccccc3O)c1,0.0
29066,CO-ADD:0231139,6.51,N1(CN2CCCCC2)C(=O)\C(\SC1=O)=C\c(ccc(c34)OCO3)c4,0.0
29067,CO-ADD:0292013,6.51,N1(C(=O)c2cccc(Cl)c2)C(O)(c3ccc(cc3)CCCCC)CC(C(F)(F)F)=N1,0.0
29068,CO-ADD:0232927,6.51,c1(C(F)(F)F)nc(sc1c2ccc(c3n2)cccc3)\N=C\c4ccccc4OC,0.0
29069,CO-ADD:0236577,6.51,c1(C#N)c(SCc(cc2)ccc2Cl)nc(cc1C(F)(F)F)c3cccs3,0.0
29070,CO-ADD:0137189,6.51,O1c2c(c(CCCCC)cc(O)c2)Oc(cc(O)cc3C(CCCC)=O)c3C1=O,0.0
29071,CO-ADD:0137261,6.51,[C@]1(C(OC)=O)(C)[C@]2([C@](C)(CCC1)C([C@@](O)(CC2)[C@]([C@]34C(C)C)([H])O3)=CC4=O)[H],0.0
29072,CO-ADD:0137274,6.51,C1(c2c(c(OC3=O)c(O)c(O)c2)c(c3cc4O)c(O1)c4O)=O,0.0
29073,CO-ADD:0137220,6.51,C(C1OC(C(N([H])C(C(OC(C(N([H])C(C(OC(C(N([H])C(C(C)OC(=O)C(C(C)C)N([H])C(=O)C(C(C)C)OC(=O)C(C(C)C)N([H])C(=O)C(C)OC(=O)C(C(C)C)N([H])C1=O)=O)C(C)C)=O)C(C)C)=O)C(C)C)=O)C)=O)C(C)C)=O)(C)C,0.0
29074,CO-ADD:0137235,6.51,O=C(C=CC(=O)OC(C(C)=O)CC1)C1,0.0
29075,CO-ADD:0135726,6.51,N1=CC(=CNC(N)=O)C(=O)N1C,0.0
29076,CO-ADD:0137055,6.51,n1([H])c(C)c(C)c(C#N)c1N(S(=O)(=O)c(ccc(C)c2)c2)CCCC(OCC)=O,0.0
29077,CO-ADD:0137071,6.51,O=S1(Cn(c(C)c(COC(NC(C)C)=O)c2COC(NC(C)C)=O)c2C1)=O,0.0
29078,CO-ADD:0135906,6.51,c1c2c(ccc1)sc(c(cncc3)c3)n2,0.0
29079,CO-ADD:0137003,6.51,O=C1C(=CN2CCCC2)CC(C(CC=C(CC(O)CC3)C34C)C4CC5)C15C,0.0
29080,CO-ADD:0135889,6.51,N1(C)C(C)=CC(C=C1C)=C(/C=CC2=O)C=C2,0.0
29081,CO-ADD:0136929,6.51,O=C1c2c(cccc2)C(c(ccc3C(O)=O)c1c3Sc(ccc4)cc4)=O,0.0
29082,CO-ADD:0289106,6.51,n(c1cccc(F)c1)(nc(n2)C)c2CCC(O)=O,0.0
29083,CO-ADD:0237407,6.51,CCC(NC(=O)c1ccccc1NC(=O)c2ccc(C)cc2)C(=O)OC,0.0
29084,CO-ADD:0237328,6.51,FC(F)(F)c1cnc(Sc2oc(nn2)c3ccncc3)c(Cl)c1,0.0
29085,CO-ADD:0237078,6.51,Cc1cnc(CCNC(=O)c2cc(cs2)c3ccc(Cl)cc3)[nH]1,0.0
29086,CO-ADD:0231025,6.51,[N+](=O)([O-])c1cccc(c1)NC(=O)\C=C\c(cccc2Oc3ccccc3)c2,0.0
29087,CO-ADD:0231745,6.51,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
29088,CO-ADD:0231395,6.51,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(cc(I)cc4I)c4O,0.0
29089,CO-ADD:0234561,6.51,N(\C(=C/c(ccc(c12)OCO1)c2)\C(O3)=O)=C3c(ccc(c4[N+](=O)[O-])C)c4,0.0
29090,CO-ADD:0231534,6.51,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(=O)C(O)c3ccccc3,0.0
29091,CO-ADD:0230989,6.51,n1(c(C)c(nn1)\C(\C)=N\N=C\c2ccc(cc2O)O)c3nonc3N,0.0
29092,CO-ADD:0233247,6.51,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(/C)\CC(NCC=C)=O,0.0
29093,CO-ADD:0231185,6.51,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(OC)c1)C(=O)Nc(cc2)ccc2CC,0.0
29095,CO-ADD:0236796,6.5,N1(c2cccc(cccc3)c23)C(=O)c(c4C1=O)cc(c(Cl)c4)Cl,0.0
29096,CO-ADD:0136371,6.5,O=C1C(Cc(ccc2)c(O)c2)=C(c3ccccc3[H])NC(C)=N1,0.0
29097,CO-ADD:0136491,6.5,Clc1c(n2cccc2)cc(C(C)=NNC(N)=O)cc1,0.0
29098,CO-ADD:0137098,6.5,c12c([C@](CCN3Cc4ccoc4)(C(C(=O)CC5)O6)C5(O)[C@@H]3C1)c6c(O)cc2.CS(O)(=O)=O,0.0
29099,CO-ADD:0137090,6.5,O(CCN(Cc(ccc1Oc(ccc([N+](=O)[O-])c2)c2)cc1)C(=O)C(Cl)Cl)C(=O)CCC(O)=O,0.0
29100,CO-ADD:0135851,6.5,O1CCC(=C/c(cc(c2c3)OCO2)c3)C1=O,0.0
29101,CO-ADD:0137087,6.5,c1c(OC)c(Nc(c(C(=O)O)ccc2)c2)ccc1c3ccc(Nc(c(C(O)=O)ccc4)c4)c(OC)c3,0.0
29102,CO-ADD:0289114,6.5,S(=O)(=O)(N1CCC(CC1)CC(O)=O)c2ccc(Br)s2,0.0
29103,CO-ADD:0289139,6.5,S(=O)(=O)(c1ccc(Cl)cc1)N2CCC(CC2)CC(O)=O,0.0
29104,CO-ADD:0230988,6.5,N1(CC(OCC(=O)Nc2scc(c3ccccc3)n2)=O)C(=O)CCC1=O,0.0
29105,CO-ADD:0236754,6.5,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccc(cc2C)Cl)c3ccc(cc3OC)OC,0.0
29106,CO-ADD:0233288,6.5,C(N(Cc1ccccc1)C(N2Cc3ccccc3)\C=N\Cc4ccccc4)(N(Cc5ccccc5)C(N6Cc7ccccc7)\C=N\Cc8ccccc8)C26,0.0
29107,CO-ADD:0236743,6.5,N1(c2c(N3)cccc2)C3(C)C(OC1=O)(C)C,0.0
29108,CO-ADD:0231222,6.5,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
29109,CO-ADD:0234554,6.5,C(=O)(Oc1ccccc1\C=N/NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c3ccco3,0.0
29110,CO-ADD:0285410,6.5,N12C(S\C(=C\c(cc(n3c4sc(c5c4C(OCC)=O)CCCC5)C)c3C)\C1=O)=NC(C)=C(C(C)=O)C2c6c(OC)ccc(cccc7)c67,0.0
29111,CO-ADD:0291209,6.5,n1(c2ccc(cc2)C)nc(c3n1)ccc(NC(COc(cc4)ccc4C)=O)c3,0.0
29112,CO-ADD:0233239,6.5,N(C)(C1=O)C2C(N1C)N(C(=O)N2C)C,0.0
29113,CO-ADD:0231011,6.5,c1(c(ccc(c1)[N+](=O)[O-])N\N=C/c(cc2)ccc2OC(CCCCCCC(=O)Oc(cc3)ccc3\C=N/Nc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])=O)[N+](=O)[O-],0.0
29114,CO-ADD:0236707,6.5,C1(=C(C)NC(NC1=O)=O)S(=O)(=O)NCc2ccco2,0.0
29115,CO-ADD:0228985,6.5,C(=O)(N\N=C\C=N\NC(=O)c1cccc(Cl)c1)c2cccc(Cl)c2,0.0
29116,CO-ADD:0234595,6.5,c1(c(Br)cc(cc1\C=N\NC(COc(ccc(c2C)C)c2)=O)Br)OC(=O)c3cccc(C)c3,0.0
29117,CO-ADD:0233056,6.5,C(=O)(c(cccc1C(=O)Nc(cccc2C(=O)c3ccc(c(C)c3)C)c2)c1)Nc(cccc4C(=O)c5ccc(c(C)c5)C)c4,0.0
29118,CO-ADD:0236679,6.5,[N+](=O)([O-])c1ccccc1NC(CSc2nnc(C)[nH]2)=O,0.0
29119,CO-ADD:0135666,6.5,[H]C(/C(O)=O)=C(/C(NCC(C)C)=O)[H],0.0
29120,CO-ADD:0135827,6.5,c1c2c(N=CN([H])C2=S)n(n1)c3ccccc3,0.0
29121,CO-ADD:0135835,6.5,c1cc(C(C)(C)C)ccc1OCC(O)=O,0.0
29122,CO-ADD:0136534,6.5,C1CCC=C(OP(c2ccccc2)(c3ccccc3)=O)C1,0.0
29123,CO-ADD:0136023,6.5,[H]N1C(C2=O)(c3c(cccc3)N2C(C)=O)N([H])C(C)C1,0.0
29124,CO-ADD:0135951,6.5,[H]n1cc(CC(CC)N)c(ccc2)c1c2.C(C)(=O)O,0.0
29125,CO-ADD:0136154,6.5,C1(=O)C(=Cc(c(OC)ccc2)c2)Cc3c1cccc3,0.0
29126,CO-ADD:0136814,6.5,n1(c2ccccc2)nc(C)c(C(Nc3cc(cnn4[H])c4cc3)=O)n1,0.0
29127,CO-ADD:0232923,6.5,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C3CCCCC3)c1C,0.0
29128,CO-ADD:0231000,6.5,N1(CNc(cc2)ccc2OC)C(=O)\C(\SC1=O)=C\c3cccc(F)c3,0.0
29129,CO-ADD:0236697,6.5,N(Cc1ccccc1)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
29130,CO-ADD:0236690,6.5,N1(C(C)=O)CC(N(OCOC)C1c2ccc(cc2Cl)Cl)=O,0.0
29131,CO-ADD:0229878,6.5,c(SC(c1ccccc1)c2ccccc2)(n3)nc(nc3SC(c4ccccc4)c5ccccc5)SC(c6ccccc6)c7ccccc7,0.0
29132,CO-ADD:0236564,6.5,c1(OC(N)=C(C2c3cccc(Cl)c3Cl)C#N)c2c(nn1c4ccccc4)C,0.0
29133,CO-ADD:0234619,6.5,N(\C(=C/c(cc1)ccc1N(CC)CC)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
29134,CO-ADD:0288465,6.5,c1(C(CC2)CCN2)n(CCCOC)c(cn1)C.Cl.Cl,0.0
29135,CO-ADD:0289247,6.5,C(N)(=N)CCN(C)C.Cl,0.0
29136,CO-ADD:0288900,6.5,c1(C)n(c(c([N+](=O)[O-])n1)C)CC2CCN(C(CC)=O)CC2,0.0
29137,CO-ADD:0136699,6.5,c1c(OC(=O)Oc(ccc(NC(C)=O)c2)c2)ccc(NC(C)=O)c1,0.0
29138,CO-ADD:0136795,6.5,c1ccc(sc(NC(Nc2cc([N+](=O)[O-])c(Cl)cc2)=O)n3)c3c1,0.0
29139,CO-ADD:0136819,6.49,O=C(N(C)C(C(=C1N)N=Nc(ccc(S(N)(=O)=O)c2)c2)=O)N1C,0.0
29140,CO-ADD:0136923,6.49,s1cc(C)nc1NC(=O)c(ccc2C(Nc3scc(C)n3)=O)cc2,0.0
29141,CO-ADD:0136862,6.49,c12c(c(C(=O)c3ccc(C)nc3)c(C(C(=O)OCC)C)n1C)cccc2,0.0
29142,CO-ADD:0286158,6.49,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)c4cccs4)cccc3,0.0
29143,CO-ADD:0136990,6.49,o1c(C=CC(c2c(cc(OC)c(OC)c2)CC3)=N3)ccc1.S(O)(=O)(O)=O,0.0
29144,CO-ADD:0286710,6.49,n1(c(cc2)ccc2C(O)=O)nnnc1SCC(OCC)=O,0.0
29145,CO-ADD:0136751,6.49,O(CCCCOc(ccc(C#N)c1)c1)c2ccc([N+](=O)[O-])c(C)c2,0.0
29146,CO-ADD:0286406,6.49,N(C1c2ccc(cc2)OC)(C(=O)C(=C1C(c3ccccc3)=O)O)c4sc5c(ccc(Br)c5)n4,0.0
29147,CO-ADD:0300047,6.49,C(C#N)(C(CC(N1)=O)c2ccc(c(OC)c2)O)=C1SCC(=O)Nc3cc(C)ccc3C,0.0
29148,CO-ADD:0299832,6.49,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c3cc(OCO4)c4cc3[N+](=O)[O-])\C1=O)=O,0.0
29149,CO-ADD:0233073,6.49,C1(c2ccccc2)(c3ccccc3)OC(\C=C\C)Nc(cccc4)c14,0.0
29150,CO-ADD:0234833,6.49,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(c2)c(ccc2[N+](=O)[O-])OC(c3ccccc3)=O,0.0
29151,CO-ADD:0231001,6.49,N(/c(ccc(c1C)C)c1)=C\c(ccc(c2CC=C)OCc(cc3)ccc3Br)c2,0.0
29152,CO-ADD:0231431,6.49,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(cc4)ccc4Br,0.0
29153,CO-ADD:0236645,6.49,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCc3cccc(OC)c3)c4ccccc4,0.0
29154,CO-ADD:0231536,6.49,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N\NC(=O)c(ccc(n3)C)c3)Br,0.0
29155,CO-ADD:0290782,6.49,N(Cc1ccccc1Cl)(c(cccc2)c2C3(O)CC(=O)c(cccc4[N+](=O)[O-])c4)C3=O,0.0
29156,CO-ADD:0292056,6.49,N1(C)C(=O)\C(\SC1=S)=C\C=C(/S2)\N(C)CC2,0.0
29157,CO-ADD:0292009,6.49,n1(c2ccc(cc2)F)c(C)c(cc1C)\C=N/OCc3ccccc3,0.0
29158,CO-ADD:0236778,6.49,c1(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])sc(c3c1C#N)CCCC3,0.0
29159,CO-ADD:0299672,6.49,C1(C2)(CC(CC=C1OC)(CN2Cc3ccccc3)[N+](=O)[O-])[N+](=O)[O-],0.0
29160,CO-ADD:0286389,6.49,C1(C#N)=C(SCC=C)NC(=O)CC1c2sccc2C,0.0
29161,CO-ADD:0136067,6.49,O=C1C(C(=O)c(c2)cccn2)Cc(cccc3)c13,0.0
29162,CO-ADD:0136179,6.49,[H][C@@]1([C@@](C=Cc(cc(O)cc2C)c12)([C@](CC3)([C@@]4(C)C3=O)[H])[H])CC4,0.0
29163,CO-ADD:0135720,6.49,c1c(c(O)ccc1)c(oc2)nn2,0.0
29164,CO-ADD:0135609,6.49,O1CCC(=C/c(ccc(O)c2)c2)C1=O,0.0
29165,CO-ADD:0136228,6.49,O=C1C(C(C(Cc2ccccc2)O1)c3ccccc3)=O,0.0
29166,CO-ADD:0136268,6.49,o1c(c2ccccc2)c(P(O)(O)=O)cc1c3ccccc3,0.0
29167,CO-ADD:0136173,6.49,O(C(=O)N(c(cccc1)c1)c(cccc2)c2)c(ccc3)cc3,0.0
29168,CO-ADD:0237199,6.49,CC(C)(C(=O)Nc1ccc(F)cc1)n2cc(cn2)c3ccccc3F,0.0
29169,CO-ADD:0237338,6.49,CCCS(=O)(=O)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1,0.0
29170,CO-ADD:0236501,6.49,C1(C(=O)Nc(cc2)ccc2OC)=Cc(cc(Br)cc3Br)c3OC1=O,0.0
29171,CO-ADD:0291010,6.49,n1c(Nc2ccccc2F)scc1c3cccs3,0.0
29172,CO-ADD:0233289,6.49,C(O)(=O)c1cccc(CSc(cc2)ccc2Sc(cc3)ccc3SCc(cccc4C(O)=O)c4)c1,0.0
29173,CO-ADD:0231481,6.49,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c4ccccc4Br,0.0
29174,CO-ADD:0292029,6.49,c1(NC(CC(C)C)=O)nnc(CCCCCC)s1,0.0
29175,CO-ADD:0292085,6.49,c1(NC(C)=O)sc(c(c(ccc(c2[N+](=O)[O-])OC)c2)n1)C,0.0
29176,CO-ADD:0291910,6.49,c1(CNc(cc2)ccc2Cl)n(C)c3c(cccc3)n1,0.0
29177,CO-ADD:0233226,6.49,N1(c2ccc(cc2)OCC)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
29178,CO-ADD:0289315,6.49,c1(C2CCCCN2)nncn1CC.Cl.Cl,0.0
29179,CO-ADD:0136195,6.49,O=[As](O)(C)c(cc(C(O)=O)cc1)c1,0.0
29180,CO-ADD:0136831,6.49,n1(cc(c2nc(NCC)nc(Cl)n2)c(ccc3)c1c3)c(ccc4)cc4,0.0
29181,CO-ADD:0136951,6.49,N(c(cc1)ccc1C)=Nc2ccc(C)cc2NC(Nc(c(ccc3)F)c3)=O,0.0
29182,CO-ADD:0136959,6.49,[H]N1C(C=C2C(=Cc(cc(C)c(C)c3)c3N2CC(O)C(O)C(O)CO)C1=O)=O,0.0
29183,CO-ADD:0136952,6.49,Clc(cc1NC(NC(=O)c(cc(cc2)Br)c2)=S)ccc1O,0.0
29184,CO-ADD:0136207,6.49,n1c(nc(N)n2)n2c(C(C)C)cc1C(C)C,0.0
29185,CO-ADD:0136687,6.48,n1c(cc(C)c2C)c(c2)nc(c3ncccc3)c1c4ncccc4,0.0
29186,CO-ADD:0137014,6.48,S1CCN(C(SCc2cc(Cl)cc(COC3)c2O3)=S)CC1,0.0
29187,CO-ADD:0135662,6.48,O=C1C=C(c2n([H])nnn2)N([H])C(=O)N1[H],0.0
29188,CO-ADD:0288759,6.48,C(CCN1C(c2oc([N+](=O)[O-])cc2)=O)(CC3)(OCC3)CC1,0.0
29189,CO-ADD:0288807,6.48,c1(C(NCC#C)=O)ccccc1C,0.0
29190,CO-ADD:0289088,6.48,c1(C(=O)Nc2ccccc2C)sc(nn1)CCC(O)=O,0.0
29191,CO-ADD:0236747,6.48,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc2)ccc2C(OCC)=O)c3ccc(cc3OC)OC,0.0
29192,CO-ADD:0232925,6.48,C1(C(F)(F)F)=Nc2c(cccc2)NC1=O,0.0
29193,CO-ADD:0288026,6.48,C1(C(c2ccccc2)=O)=C(C)NC(=O)NC1c3ccccc3,0.0
29194,CO-ADD:0227617,6.48,n1c2c(oc1c3cccc(Br)c3)ccc(c2)\N=C\c4cccc(F)c4O,0.0
29195,CO-ADD:0231608,6.48,[N+](=O)([O-])c1cc2c(cc1\C=N\c(cc3)ccc3c4ccc(cc4)\N=C\c5cc(OCO6)c6cc5[N+](=O)[O-])OCO2,0.0
29196,CO-ADD:0233301,6.48,C(=O)(c1ccc(cc1)Cl)Nc(cc2)ccc2NC(c3ccccc3)=O,0.0
29197,CO-ADD:0231594,6.48,n1c2c(oc1c3ccc(cc3)OC)ccc(c2)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
29198,CO-ADD:0233592,6.48,c1(c(O)c(\C=N\c(cccc2c3oc(c4n3)cccc4C)c2)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
29199,CO-ADD:0236675,6.48,n1c(SCC(=O)Nc2nnc(c3ccccc3)s2)[nH]nc1c4ccccc4,0.0
29200,CO-ADD:0233012,6.48,n1c(N)c(C#N)cc(C#N)c1SCC(=O)Nc2cccnc2Cl,0.0
29201,CO-ADD:0232989,6.48,c1(SC)sc2c(ccc(c2)\N=C\c(ccc3c4ccc(cc4)Cl)o3)n1,0.0
29202,CO-ADD:0236655,6.48,S1(=O)(=O)c2c(C(N(CC3)CCO3)=N1)ccc(c2)[N+](=O)[O-],0.0
29203,CO-ADD:0234535,6.48,c1(n(CCO)cnc1c2ccc(cc2)OCC)[N+](=O)[O-],0.0
29204,CO-ADD:0233235,6.48,C1(O)(c2ccc(cc2)OC(C)C)C(=O)NC(NC1=O)=O,0.0
29205,CO-ADD:0285986,6.48,O[C@@H](C1)[C@H](CC=NNC(C2=CC=NC=C2)=O)[C@@H](/C=C/[C@@H](O)CCC3=CC=CC=C3)[C@@H]1OC(C4=CC=CC=C4)=O,0.0
29206,CO-ADD:0288503,6.48,c1(C(CCO2)CC2)ncc(C)n1C(CC3)CCN3.Cl.Cl,0.0
29207,CO-ADD:0289267,6.48,C(=O)(c1ccc(cc1)OCC(CCCN2)C2)N3CCCCC3.Cl,0.0
29208,CO-ADD:0299880,6.48,S(=O)(=O)(c1ccc(cc1)NC(=O)\C=C\c2ccco2)N3CCCCC3C,0.0
29209,CO-ADD:0136295,6.48,O=C(C1)N([H])c(ccc(c2)Cl)c2C(c(ccc3)n3[H])=N1,0.0
29210,CO-ADD:0136311,6.48,N1([H])c(c(cc(OC)c2)N([H])P1(Oc(cccc3)c3)=S)c2,0.0
29211,CO-ADD:0136304,6.48,O=C1c2c(C(=O)N1C(CCC(N)=O)C(O)=O)cc(O)cc2,0.0
29212,CO-ADD:0136876,6.48,N(C(=O)N(c1ccccc1)c(cccc2)c2)(c(cccc3)c3)c(ccc4)cc4,0.0
29213,CO-ADD:0136725,6.48,S(c1ccccc1N)C(C(=O)N2c(c(OC)ccc3)c3)CC2=O,0.0
29214,CO-ADD:0286088,6.48,C(=O)(Nc(cccc1C(=O)Nc(cc2)ccc2C(O)=O)c1)c3cccs3,0.0
29215,CO-ADD:0136757,6.48,c1cc(S(c2c3c(no[n+]3[O-])c(OCC)cc2)(=O)=O)ccc1C,0.0
29216,CO-ADD:0136853,6.48,C1CCN(C(Nc2ccc(C)c(NC(N3CCCCC3)=O)c2)=O)CC1,0.0
29217,CO-ADD:0135808,6.48,C1=CC(=C[N+](=O)[O-])N(C)C(=O)N1C,0.0
29218,CO-ADD:0300052,6.48,S(=O)(=O)(c1ccc(cc1)CCNC(=O)c(cc2)ccc2C(c3ccccc3)=O)N4CCCCC4,0.0
29219,CO-ADD:0237367,6.48,CC1(C)Cc2c(CO1)c(nc3snc(Br)c23)N4CCOCC4,0.0
29220,CO-ADD:0236726,6.48,c12n(ncn1N)c(nn2)SCC(=O)Nc3ccccn3,0.0
29221,CO-ADD:0227923,6.48,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(ccc(c34)oc(c5cccc(I)c5)n3)c4)[N+](=O)[O-],0.0
29222,CO-ADD:0234569,6.48,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(COc(ccc(c3C)C)c3)=O,0.0
29223,CO-ADD:0233217,6.48,C(c1ccccc1)(=O)C(CCC#N)(CCC#N)CCC#N,0.0
29224,CO-ADD:0291774,6.48,N1(C2c3cccs3)C(S\C(=C\c(ccc4c(ccc(c5Cl)Cl)c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
29225,CO-ADD:0290735,6.48,n1(c2c(nn1)cc(Cl)cc2)S(=O)(=O)c3cc(C)ccc3C,0.0
29226,CO-ADD:0236659,6.48,C(=O)(Nc(cc1)ccc1F)C(NCCN(CC2)CCN2Cc(cc3)ccc3C)=O,0.0
29227,CO-ADD:0230958,6.48,C(C(=O)c1ccc(cc1)Cl)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCN(CC)CC)=O.Cl,0.0
29228,CO-ADD:0299710,6.48,c1(SCC(=O)Nc(cc2)ccc2OC(F)(F)F)sc(c3n1)cccc3,0.0
29229,CO-ADD:0299185,6.47,c1(Br)sc(nc1c2ccccc2)C,0.0
29230,CO-ADD:0136352,6.47,O1C(C(c2ccccc2)=Cc(ccc3OC(C)=O)c1c3)=O,0.0
29231,CO-ADD:0136201,6.47,O=C(N(C)c(c1C2=O)nc(OCCC)n1C)N2C,0.0
29232,CO-ADD:0136321,6.47,O=C1c2c(C(C(=C1CC=C(C)/C)OCC(O)=O)=O)cccc2,0.0
29233,CO-ADD:0137179,6.47,O1C(C(O)C(O)C(O)C1CO)OCC2C(O)C(O)C(O)C(O[C@@](C#N)(c3ccccc3)[H])O2,0.0
29234,CO-ADD:0136048,6.47,n1c(c2c(cc3)cccc2)n3c(Cl)n1,0.0
29235,CO-ADD:0136601,6.47,n1ccn(c1C(O)(c2ccccc2)c(cccc3)c3)c(cccc4)c4,0.0
29236,CO-ADD:0299877,6.47,C(=O)(N(CC1)CCN1C(c2ccccc2)c3ccc(cc3)Cl)c4ccccc4O,0.0
29237,CO-ADD:0288651,6.47,C(OC(C)(C)C)(=O)N(CCC1n2c(C3CCC3)ncc2C)CC1,0.0
29238,CO-ADD:0236850,6.47,c12c(cnn1c3ccccc3)C(=O)OC(c4ccccc4Cl)=N2,0.0
29239,CO-ADD:0234858,6.47,C(=C\c(cc1)ccc1F)/C(=O)c2ccc(cc2)\N=C\c(cc3)ccc3OC,0.0
29240,CO-ADD:0285774,6.47,N(C(=O)\C(\S1)=C/c2cc(OC)ccc2OC)=C1N3CCCC3,0.0
29241,CO-ADD:0285785,6.47,C(=O)(N(CC1)CCN1Cc2ccccc2)c3ccccc3NC(COc(cc4)ccc4Cl)=O,0.0
29242,CO-ADD:0236244,6.47,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC(=O)c3ccc(c(OC)c3)OC)c4ccccc4,0.0
29243,CO-ADD:0231759,6.47,c1(oc(c2n1)ccc(c2)\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])Br)c4cccc(Cl)c4Cl,0.0
29244,CO-ADD:0236658,6.47,S1(=O)(=O)c2c(C(Nc(cc3)ccc3C(C)=O)=N1)ccc(c2)[N+](=O)[O-],0.0
29245,CO-ADD:0235982,6.47,c1(c2ccc(cc2)\N=C\c3c(C)cc(cc3C)C)sc4c(ccc(C)c4)n1,0.0
29246,CO-ADD:0288467,6.47,c1(C(CC2)CCN2)ncc(C)n1C(C3)CC3.Cl.Cl,0.0
29247,CO-ADD:0299657,6.47,c1(C#N)c(cccc2)c2n(C)c1CNc3cccc(Br)c3,0.0
29248,CO-ADD:0299681,6.47,c1(c(ccc(C(O)=O)c1)nc(c2C\C=C(\Cl)/Cl)C)c2O,0.0
29249,CO-ADD:0286307,6.47,C(=O)(C(O)c1ccccc1)NN(c2ccccc2)c3ccccc3,0.0
29250,CO-ADD:0286443,6.47,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C/c(c(F)ccc4[N+](=O)[O-])c4)nc(Nc(cc5)ccc5C)n1.Cl,0.0
29251,CO-ADD:0136445,6.47,n1c2c(c(N3CCN(C)CC3)ccc2[N+](=O)[O-])[n+]([O-])o1,0.0
29252,CO-ADD:0136605,6.47,N1(C(CC)C1)P(Oc2ccc(cc2)Cl)(N3C(CC)C3)=O,0.0
29253,CO-ADD:0136458,6.47,C1CC(C(C(=O)N(C(C(O)=O)CCC(N)=O)C2=O)C23)CC13,0.0
29254,CO-ADD:0136466,6.47,c1([N+](=O)[O-])ccc(C(NC(=N)n2c(C)cc(C)n2)=O)cc1,0.0
29255,CO-ADD:0136626,6.47,O=CN1CC(C)N(CCN2C(C)CN(C=O)C(C)C2)CC1C,0.0
29256,CO-ADD:0286095,6.47,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)S\C(\NCc(ccc(c34)OCO3)c4)=N/c(cc5)ccc5F,0.0
29257,CO-ADD:0286135,6.47,n1(c2ccccc2)c(SCC(=O)N3CCCCC3)nnc1c4ccc(cc4)Cl,0.0
29258,CO-ADD:0237292,6.47,CN1CCC(CC1)NCc2cccc(c2)c3ccc(cc3)S(=O)(=O)NCc4ccccc4,0.0
29259,CO-ADD:0233094,6.47,C(NC(=S)NC(c1ccccc1)=O)(c2c(cccc2)CC34CCCCC3)=C4C#N,0.0
29260,CO-ADD:0233078,6.47,C(=C\C=C\c1ccco1)(/C2=O)\C(=O)OC(C)(C)O2,0.0
29261,CO-ADD:0234560,6.47,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C/c2cc(Br)cc(Br)c2OC(=O)c3cccc(Br)c3,0.0
29262,CO-ADD:0231079,6.47,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)N\N=C(/C3)\CCC3,0.0
29263,CO-ADD:0231403,6.47,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(cc(Br)cc4Br)c4O,0.0
29264,CO-ADD:0234441,6.46,c1(C#N)c(C)c(oc1\N=C\c(cccc2[N+](=O)[O-])c2)C,0.0
29265,CO-ADD:0231416,6.46,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4c5c(cccc5)cc(cccc6)c46,0.0
29266,CO-ADD:0234141,6.46,c1(c(O)c(\C=N\c2ccc(cc2C)C)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
29267,CO-ADD:0289339,6.46,n1c(CCNC)noc1c2ccccc2.Cl,0.0
29268,CO-ADD:0288553,6.46,c1(CC(CC2)CCN2)ncc(C)n1CCCOC.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
29269,CO-ADD:0289029,6.46,c1(C(=O)Nc(cc2)ccc2Cl)sc(nn1)COc(cc3)ccc3C(O)=O,0.0
29270,CO-ADD:0136486,6.46,c1cnc(SCC=CCSc2ncccc2)cc1,0.0
29271,CO-ADD:0136898,6.46,O(C(C)C)C(=O)Nc(cc(C)c(c1ccc(NC(=O)OC(C)C)cc1C)c2)c2,0.0
29272,CO-ADD:0136986,6.46,c1cccc(c(nc(c2c(N)c(cccc3)c3nc2C)cc4C)c4c5C)c1n5,0.0
29273,CO-ADD:0136570,6.46,N1(C(CC(C#N)(c(cccc2)c2)c(cccc3)c3)C)CCCCC1,0.0
29274,CO-ADD:0135873,6.46,C1(C(CC(C)C)=NC=C(C(C)CC)N1O)=O,0.0
29275,CO-ADD:0136909,6.46,Clc(ccc(OCC(CN1CCN(CC1)c(cc(cc2)Cl)c2)O)c3)c3,0.0
29276,CO-ADD:0237295,6.46,O=C(Nc1ccccc1)c2ccc(s2)c3cc4ccncc4cc3OC5CCNCC5.Cl.Cl,0.0
29277,CO-ADD:0237208,6.46,COc1ccc(cc1c2cn(nn2)c3cccc(c3)C4=NCCN4)C5=NCCN5.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
29278,CO-ADD:0237132,6.46,CC(C)(C)c1cc(cc(c1)C(=O)Nc2cccnc2)C(=O)Nc3cccnc3,0.0
29279,CO-ADD:0236558,6.46,C1(C2c3ccc(cc3F)F)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
29280,CO-ADD:0236633,6.46,c1(OC(N)=C(C2c3cc(Br)ccc3F)C#N)c2c(n[nH]1)C,0.0
29281,CO-ADD:0290938,6.46,N(C(=O)CS1)(C2c(cc3)ccc3C(C)C)C1=NC(C)=C2C(OC)=O,0.0
29282,CO-ADD:0290891,6.46,N1(CN(CC2)CCC23OCCO3)c4c(N(C)C1=S)cccc4,0.0
29283,CO-ADD:0285797,6.46,n1(C2CCCCC2)c(S)nnc1c3ccc(cc3)Cl,0.0
29284,CO-ADD:0234252,6.46,c1(c(O)c(\C=N\c(cc2)ccc2F)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
29285,CO-ADD:0229913,6.46,c1(NC(=O)c(cccc2[N+](=O)[O-])c2)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
29286,CO-ADD:0231383,6.46,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Cl)cc3Br)c3O)c4ccc(cc4Cl)Cl,0.0
29287,CO-ADD:0236187,6.46,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCN3c4cccc(Cl)c4)C1=O,0.0
29288,CO-ADD:0236552,6.46,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)C(C)(C)C)c3ccccc3Cl,0.0
29289,CO-ADD:0231170,6.46,C(/C(OC)=O)(\C(OC)=O)=N\Nc(cc1)ccc1[N+](=O)[O-],0.0
29290,CO-ADD:0231138,6.46,C(=O)(C(N)=O)Nc1ccccc1Cl,0.0
29291,CO-ADD:0288890,6.46,c1(nc(c(n1C2CCN(C(C(F)(F)F)=O)CC2)C)[N+](=O)[O-])C,0.0
29292,CO-ADD:0289311,6.46,C(=O)(Nc1ccccc1)N(CC(CCN2C)CC2)C(CN3)C3.Cl.Cl,0.0
29293,CO-ADD:0288665,6.46,C(=O)(OC(C)(C)C)N(CCC1c(n(C2CCC2)c3C)nc3)CC1,0.0
29294,CO-ADD:0135587,6.46,c1c(cccn1)c2cc([N+](=O)[O-])n([H])n2,0.0
29295,CO-ADD:0135891,6.46,[H]N1C(N([H])C(=C/c(ccc(OCC)c2)c2)C1=O)=S,0.0
29296,CO-ADD:0136524,6.46,O(C)c1cc(C(C(c2ccccc2)=[N+]3[O-])=O)c3cc1OC,0.0
29297,CO-ADD:0136548,6.46,c1c2c(N(CCC(O)=O)c(ccc3)c(S2)c3)ccc1,0.0
29298,CO-ADD:0136564,6.46,O=C1c2c(cccc2)C(c(ccc3C(O)=O)c1c3Nc(ccc4)cc4)=O,0.0
29299,CO-ADD:0285104,6.46,C1(c2ccc(cc2)CC)(c3ccc(cc3)CC)CC1C(=O)Nc4cccc(Br)c4,0.0
29300,CO-ADD:0285609,6.46,C(/S\C(\C1=O)=C/c(cc2)ccc2F)(=N\C(C)=O)\N1,0.0
29301,CO-ADD:0286856,6.46,C(=O)(Nc(cc1)ccc1OCCCCC)C(NCCOC)=O,0.0
29302,CO-ADD:0290854,6.46,c1(NC(C)CCc2ccccc2)nc(Cl)nc(NCCN(CC3)CCO3)n1,0.0
29303,CO-ADD:0237214,6.46,CC1=C(F)C=CC=C1CN2CCCC(CC3=NC(C4=CC=C(NC(C)=O)C=C4)=NO3)C2,0.0
29304,CO-ADD:0237230,6.45,Nc1nc2ccc(cc2[nH]1)c3cncc(Oc4ccc(F)cc4)c3,0.0
29305,CO-ADD:0236788,6.45,N1(c2ccccc2)C(=O)NC(\C(=C/c(ccc(c3[N+](=O)[O-])OC)c3)\C1=O)=O,0.0
29306,CO-ADD:0231770,6.45,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Br)cc3[N+](=O)[O-])c3O)c4cccc(Cl)c4Cl,0.0
29307,CO-ADD:0166052,6.45,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)C(C2)CC2=C,0.0
29308,CO-ADD:0166365,6.45,N(=C\c1ccccc1OC(=O)\C=C\c(cc2)ccc2Br)/c3cc(C)ccc3C,0.0
29309,CO-ADD:0166126,6.45,c1(ccc(\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)o1)c3cc(Cl)ccc3Cl,0.0
29310,CO-ADD:0166021,6.45,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c2ccccc2O,0.0
29311,CO-ADD:0166354,6.45,N1(c2ccccc2)CC(CC1=O)C(OC)=O,0.0
29312,CO-ADD:0166306,6.45,C(=O)(N\N=C\c1c(cccc1Cl)F)C(=O)Nc2cc(C)ccc2C,0.0
29313,CO-ADD:0215770,6.45,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCc3ccco3,0.0
29314,CO-ADD:0215138,6.45,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C\Nc(cc3)c(OC)cc3[N+](=O)[O-],0.0
29315,CO-ADD:0215146,6.45,c1(N\N=C\c2cccc(OC)c2O)nncn1N,0.0
29316,CO-ADD:0215466,6.45,C(CSCc1ccccc1Br)(=O)N\N=C\c2ccccc2O,0.0
29317,CO-ADD:0166515,6.45,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)C(NCCCC)=O,0.0
29318,CO-ADD:0166368,6.45,C(=O)(c1cccc(c1)OC(NCC(C)C)=S)Nc2cccc(Br)c2,0.0
29319,CO-ADD:0229802,6.45,o(c1c2ccccc2)c(c3ccc(cc3)Oc(cc4)ccc4[N+](=O)[O-])nn1,0.0
29320,CO-ADD:0234300,6.45,c1(c(O)c(\C=N\NC(COc(cc2)c(Br)cc2[N+](=O)[O-])=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
29321,CO-ADD:0234279,6.45,C(=N/NC(CNC(=O)c1ccc(cc1)Cl)=O)(/c2c(N3C)cccc2)\C3=O,0.0
29322,CO-ADD:0233146,6.45,c12c(n(c(SCCc3ccccc3)n1)CCC)C(NC(=O)N2C)=O,0.0
29323,CO-ADD:0234679,6.45,c1(cc(ccc1O)\N=C\c(cc(Br)cc2Cl)c2O)C(O)=O,0.0
29324,CO-ADD:0234659,6.45,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)Br)OC(=O)c3cccc(Br)c3,0.0
29325,CO-ADD:0233618,6.45,c(c1)(c(N(C)C)cc(OC)c1C(NCCN(CC)CC)=O)[N+](=O)[O-].Cl,0.0
29326,CO-ADD:0231195,6.45,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)NCC(=O)N\N=C(\CCCC2)/C2,0.0
29327,CO-ADD:0231305,6.45,N(/c1cccc(C)c1)=C\c(cc2)ccc2OCc3cccc(Cl)c3,0.0
29328,CO-ADD:0227997,6.45,C(CNc1cccc(cccc2)c12)(=O)N\N=C(/C)\C=C\c3ccccc3,0.0
29329,CO-ADD:0227988,6.45,n1nc(oc1c2ccc(cc2)Br)\C=N\NC(COc3ccc(cc3OC)Br)=O,0.0
29330,CO-ADD:0227622,6.45,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C\c(cc4)ccc4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-],0.0
29331,CO-ADD:0227280,6.45,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)c1,0.0
29332,CO-ADD:0229672,6.45,S(=O)(=O)(c1cccc(C)c1)N2CCSC2c3ccccc3,0.0
29333,CO-ADD:0227372,6.45,N(=C\c1cc(I)ccc1O)/c2cc(C)c(cc2O)C,0.0
29334,CO-ADD:0227364,6.45,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc2cccc(Br)c2)=O,0.0
29335,CO-ADD:0229250,6.45,C(=O)(c(cc1)ccc1C(=O)N2CCCCCC2)N(C3CCCCC3)C4CCCCC4,0.0
29336,CO-ADD:0231757,6.45,[N+](=O)([O-])c(cc1)cc(c1N2CCCCC2CC)\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
29337,CO-ADD:0226908,6.45,n(c1c(cccc1)nc2SCC(=O)Nc(cc3)ccc3C(OC)=O)(c(C(C)C)nn4)c24,0.0
29338,CO-ADD:0225756,6.45,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc4cccc(C)c4C)=O,0.0
29339,CO-ADD:0225772,6.45,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc(cc4)ccc4C)=O,0.0
29340,CO-ADD:0225820,6.45,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc(ccc(c4Cl)C)c4)=O,0.0
29341,CO-ADD:0221566,6.45,c(c1N)(sc(c2C#N)NCC=C)c2nc(N)n1,0.0
29342,CO-ADD:0218995,6.45,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(cc2)ccc2OCC)c1,0.0
29343,CO-ADD:0219399,6.45,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)c3ccc(cc3)OCc(cc4)ccc4Cl,0.0
29344,CO-ADD:0221443,6.45,c(\C(\N)=N\C#N)(sc(n1)NCC=C)c1N,0.0
29345,CO-ADD:0221042,6.45,c1(ccccc1NC(=O)c(cccc2C(=O)Nc3ccccc3C(c4ccccc4)=O)c2)C(c5ccccc5)=O,0.0
29346,CO-ADD:0221073,6.44,c1(I)ccc(\C=N\NC(COc2ccc(cc2OC)Br)=O)o1,0.0
29347,CO-ADD:0219265,6.44,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\c(cc3)ccc3OCCCCC,0.0
29348,CO-ADD:0219229,6.44,c1(nonc1N)n2c(CCl)cnn2,0.0
29349,CO-ADD:0220132,6.44,C(=O)(N\N=C\c(cc1)ccc1OCCCC)C(C)Oc2cccc(Cl)c2,0.0
29350,CO-ADD:0221130,6.44,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCN3Cc4ccccc4)C1=O,0.0
29351,CO-ADD:0219992,6.44,C(=O)(NC(C)c1ccccc1)c2ccccc2F,0.0
29352,CO-ADD:0220008,6.44,[N+](=O)([O-])c1ccc(cc1)CC(=O)N\N=C(/C2)\CCCC2,0.0
29353,CO-ADD:0220478,6.44,C(=N\NC(=O)\C(=C\c(cc1)ccc1[N+](=O)[O-])\NC(c2ccccc2)=O)(/c3c(N4C)cccc3)\C4=O,0.0
29354,CO-ADD:0220628,6.44,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(cc3)ccc3C(C)(C)C,0.0
29355,CO-ADD:0220675,6.44,c1(N(CC2)CCN2C)nc(N\N=C\c(cc3)ccc3N(C)C)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
29356,CO-ADD:0220601,6.44,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)c3ccccc3Cl,0.0
29357,CO-ADD:0220591,6.44,c1(c(Br)cc(cc1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)Br)OC(c3ccccc3)=O,0.0
29358,CO-ADD:0220567,6.44,[N+](=O)([O-])c1cccc(\C=N\NC(CNc2ccccc2C)=O)c1O,0.0
29359,CO-ADD:0218741,6.44,C(=O)(N\N=C\c(cc1)ccc1F)C(=O)Nc2cccc(Cl)c2C,0.0
29360,CO-ADD:0218349,6.44,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c2ccco2,0.0
29361,CO-ADD:0217915,6.44,[N+](=O)([O-])c(cccc1\C(=N/O)\Nc2ccccc2C)c1,0.0
29362,CO-ADD:0166674,6.44,C1(C2c3ccc(cc3)CC)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
29363,CO-ADD:0166400,6.44,C(OCc1ccccc1)(=O)NC(C(OC)=O)CC(N)=O,0.0
29364,CO-ADD:0165891,6.44,C(=S)(Oc(cccc1C(=O)Nc(cc2)ccc2Br)c1)N3CCCCC3,0.0
29365,CO-ADD:0166094,6.44,c1(\C=N\NC(=O)Cc2cccc(cccc3)c23)c(OCC)ccc(cccc4)c14,0.0
29366,CO-ADD:0215277,6.44,N1(c2ccccc2Cl)C(=O)C(C3C1=O)C(c4ccccc4)C=CC3c5ccccc5,0.0
29367,CO-ADD:0215773,6.44,C1(O)C(O)C(O)COC1Nc2cc(ccc2NC(C)=O)NC(C)=O,0.0
29368,CO-ADD:0234471,6.44,n1c(csc1Nc2ccccc2OC)c3cc(C)ccc3C.Br,0.0
29369,CO-ADD:0234519,6.44,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(cc2Br)cc(c2O)Br)[N+](=O)[O-])[N+](=O)[O-],0.0
29370,CO-ADD:0229747,6.44,N1(c2ccccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C(C)=O,0.0
29371,CO-ADD:0233492,6.44,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
29372,CO-ADD:0228991,6.44,C(=O)(c1ccc(cc1)Br)Nc(cc2)ccc2C(C)=O,0.0
29373,CO-ADD:0229001,6.44,C(=O)(N\N=C/CCCCCC)CN(CC)c1ccccc1,0.0
29374,CO-ADD:0227583,6.44,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C/c(ccc(c2I)OC)c2,0.0
29375,CO-ADD:0227856,6.44,c1(c2ccco2)nc(n3c1\N=C\c(ccc4c5c(Cl)ccc(c5)[N+](=O)[O-])o4)cccc3,0.0
29376,CO-ADD:0227305,6.44,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(ccc(c34)OCO3)c4,0.0
29377,CO-ADD:0229605,6.44,n(c(C)nn1)([nH]c(n2)c3c(Cl)ccc(c3)[N+](=O)[O-])c12,0.0
29378,CO-ADD:0231680,6.43,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c2ccc(cc2C)\N=C\c(ccc(c3[N+](=O)[O-])Br)c3,0.0
29379,CO-ADD:0229434,6.43,c1(cc(OC)cc(\C=N\c2cccc(OC)c2)c1O)[N+](=O)[O-],0.0
29380,CO-ADD:0231694,6.43,c1(OCC(=O)N\N=C\c2cc(C)ccc2O)c(OC)cc(cc1Br)Br,0.0
29381,CO-ADD:0228014,6.43,n1c2c(oc1c3ccc(cc3)\N=C\c4cc(I)ccc4O)ccc(Cl)c2,0.0
29382,CO-ADD:0227102,6.43,C(O1)(\C(\C2)=C\c(cc3)ccc3F)=C(CN2CC)C(C(C#N)=C1N)c4ccc(cc4)F,0.0
29383,CO-ADD:0227391,6.43,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)Br)OC(c3ccccc3)=O,0.0
29384,CO-ADD:0231732,6.43,[N+](=O)([O-])c(ccc(c1\C=N\NC(c2ccccc2)=O)N(CC(C)C)CC(C)C)c1,0.0
29385,CO-ADD:0227081,6.43,c1(C(F)(F)F)n[nH]c(C)c1C(C)=O,0.0
29386,CO-ADD:0225356,6.43,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc5ccccc5Cl,0.0
29387,CO-ADD:0225240,6.43,n1(c(ccc2C(=O)Nc(cc3)ccc3C)nnc1SCC(=O)Nc(cc4)ccc4Br)c2,0.0
29388,CO-ADD:0225248,6.43,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc4cccc(SC)c4)C2=O,0.0
29389,CO-ADD:0226134,6.43,S(=O)(=O)(N(c1ccc(cc1)CC)Cc2ccccc2C)c3cccn(c(nn4)CC)c34,0.0
29390,CO-ADD:0225366,6.43,c12n(ccn(nc(c3ccccc3)c4)c14)c(nn2)SCC(=O)Nc(cccc5C#N)c5,0.0
29391,CO-ADD:0221525,6.43,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3N\C=C(/C(C)=NN4c5ccccc5C)\C4=O,0.0
29392,CO-ADD:0221229,6.43,c1(ccccc1Br)C(=O)NCC(=O)N\N=C(/C)\c2ccccc2,0.0
29393,CO-ADD:0221541,6.43,N1(c(cc2)ccc2C(O)=O)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
29394,CO-ADD:0219064,6.43,c1(\C=N\NC(=O)c2ccccc2N)c3c(cccc3)cc(cccc4)c14,0.0
29395,CO-ADD:0220063,6.43,C1(C(OC)=O)=Cc2c(OC1=O)cccc2,0.0
29396,CO-ADD:0220921,6.43,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c2ccccc2F,0.0
29397,CO-ADD:0222855,6.43,C(=O)(c1ccc(c2c1)cccc2)Nc(ccc(c34)OCCO3)c4,0.0
29398,CO-ADD:0222639,6.43,C(=O)(c1cccc(F)c1)N\N=C(/C)\CC(=O)NCC2CCCO2,0.0
29399,CO-ADD:0222604,6.43,C(=S)(Oc(cc1)ccc1C(=O)Nc(ccc(c23)cccc2)c3)N(CC(C)C)CC(C)C,0.0
29400,CO-ADD:0221027,6.43,C(OCCCC)(=O)c1ccc(cc1)NC(CCCCCCC)=O,0.0
29401,CO-ADD:0220714,6.43,S(=O)(=O)(c1ccc(cc1)\N=C\c(cc2)ccc2O)c3ccc(cc3)\N=C\c4cc(Br)ccc4O,0.0
29402,CO-ADD:0219683,6.43,c1(c(Cl)ccc(Cl)c1)NC(CCC(=O)N\N=C\c(cc2)ccc2Cl)=O,0.0
29403,CO-ADD:0222463,6.43,C(OCCNC(C)(C)C)(=O)c1cccc(F)c1.Cl,0.0
29404,CO-ADD:0217963,6.43,C(=O)(c1ccc(cc1)Cl)Oc2cccc(cccn3)c23,0.0
29405,CO-ADD:0217868,6.43,n1c(CSc2nc(C)cc(C)n2)csc1N,0.0
29406,CO-ADD:0218444,6.43,C(=O)(N\N=C(/CCC)\c1ccccc1)C(O)(c2ccccc2)c3ccccc3,0.0
29407,CO-ADD:0217924,6.43,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C(/C)\c3c(C)non3)NC(c4ccccc4)=O,0.0
29408,CO-ADD:0218228,6.43,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3ccccc3[N+](=O)[O-],0.0
29409,CO-ADD:0217972,6.43,N1(CNc2c(C)ccc(Cl)c2)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OC)OC,0.0
29411,CO-ADD:0215294,6.43,C(=O)(N\N=C\c1ccccc1)C(CO)NC(c2ccccc2)=O,0.0
29412,CO-ADD:0215127,6.43,C(=C\N(CC1)CCO1)(/C(=O)NC(N2)=S)\C2=O,0.0
29413,CO-ADD:0215167,6.43,C(CSc1ccccn1)(=O)N\N=C\c2cccc(cccc3)c23,0.0
29414,CO-ADD:0227739,6.43,N(C(=O)\C(\S1)=C/c(cc2)ccc2Cl)=C1N3CCCCC3,0.0
29415,CO-ADD:0229055,6.43,N1c2c(cccc2)OCC1=O,0.0
29416,CO-ADD:0233712,6.43,c1([nH]nc(C(CC2)CCN2C(=O)c3cccc(OCCNC)c3)c1)C(F)(F)F.Cl,0.0
29417,CO-ADD:0233716,6.43,N1(C[C@@H](C[C@H]1C(=O)N(CC2)CCC2c3oc(nn3)C)O)C(C)=O,0.0
29418,CO-ADD:0233697,6.43,c1([nH]nc(C(CC2)CCN2C(=O)[C@H](Cc3c[nH]cn3)NC(C)=O)c1)C(F)(F)F,0.0
29419,CO-ADD:0229822,6.43,S(=O)(=O)(Oc(cccc1N2C(C)=CC(NC2=S)(C)C)c1)c3ccccc3[N+](=O)[O-],0.0
29420,CO-ADD:0227963,6.43,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(COc3cccc(C)c3)=O)o1,0.0
29421,CO-ADD:0229398,6.43,n1c(N)sc(C)c1c2ccccc2,0.0
29422,CO-ADD:0227510,6.42,c1(c(O)c(\C=N\c2ccccc2S)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
29423,CO-ADD:0231676,6.42,n1c2c(oc1c3cccc(c3)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4)cc(C)c(C)c2,0.0
29424,CO-ADD:0231701,6.42,c1(C(=O)N\N=C\c(cc2Br)cc(c2O)Br)nn(c(c3ccccc3)n1)c4ccccc4,0.0
29425,CO-ADD:0227770,6.42,S1(=O)(=O)c(cccc2)c2C(N3CCCCC3)=N1,0.0
29426,CO-ADD:0229261,6.42,c1(CC(OCC)=O)c(SC)c(c2n1C)cc(cc2)OC,0.0
29427,CO-ADD:0229223,6.42,c1(C(OCC)=O)sc2c(CCCC2O)c1NC(=O)CN3CCCCC3,0.0
29428,CO-ADD:0229208,6.42,N(c1ccccc1)(CC2)CCN2CC(=O)Nc3c(OC)ccc(Cl)c3,0.0
29429,CO-ADD:0229193,6.42,n1(nnc(C)c1C(=O)N\N=C\c(ccc(c2OC)OC)c2)c3nonc3N,0.0
29430,CO-ADD:0227392,6.42,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccccc2Br)=O)Br)OC(=O)c3cccc(C)c3,0.0
29431,CO-ADD:0227346,6.42,N(=C(/C)\c(cc1)ccc1c2ccccc2)/NC(COc3ccc(cc3OC)Br)=O,0.0
29432,CO-ADD:0225382,6.42,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc5ccccc5F,0.0
29433,CO-ADD:0226137,6.42,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(cc2)CC)c3cccn(c(nn4)CC)c34,0.0
29434,CO-ADD:0226922,6.42,n(c1c(cccc1)nc2SCC(=O)N(CC3)CCN3c4ccc(cc4)F)(c(C(C)C)nn5)c25,0.0
29435,CO-ADD:0225802,6.42,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4c(OC)cc(c(Cl)c4)OC)=O,0.0
29436,CO-ADD:0222561,6.42,C(F)(F)(COc1ccc(cc1\N=C\c(cc(Cl)cc2Cl)c2O)\N=C\c(cc(Cl)cc3Cl)c3O)C(F)F,0.0
29437,CO-ADD:0222536,6.42,c1(Cl)c(OC)ccc(c1)\N=C\c(cc2)ccc2Cl,0.0
29438,CO-ADD:0222678,6.42,C(c1ccccc1)(=O)N\N=C\c(cc2)ccn2,0.0
29439,CO-ADD:0219751,6.42,C1(C(=O)Nc(ccc(c2[N+](=O)[O-])C)c2)C3C1CCCC3,0.0
29440,CO-ADD:0220971,6.42,n(Cc1ccccc1)(c2c(c3\C=N\NC(=O)c4cccc(O)c4)cccc2)c3C,0.0
29441,CO-ADD:0218929,6.42,c1(c(C)cc(cc1C)C)NC(=O)C\C(\C)=N\NC(=O)c2cccc(F)c2,0.0
29442,CO-ADD:0219606,6.42,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CCC(=O)Nc2ccc(cc2C)I)=O,0.0
29443,CO-ADD:0219555,6.42,C(=C/c(cc1)ccc1OC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3OC,0.0
29444,CO-ADD:0219483,6.42,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)CN(C)c2ccccc2,0.0
29445,CO-ADD:0219477,6.42,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc2ccccc2OC,0.0
29446,CO-ADD:0218953,6.42,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2C(OCC)=O)c3cccc(cccc4)c34,0.0
29447,CO-ADD:0226077,6.42,S(=O)(=O)(N(c1ccccc1)Cc2cccc(F)c2)c3cccn(c(nn4)CC)c34,0.0
29448,CO-ADD:0226039,6.42,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)NCc(cc4F)cc(c4)F)=O,0.0
29449,CO-ADD:0226111,6.42,S(=O)(=O)(N(Cc(ccc(c1F)OC)c1)c2cc(C)cc(C)c2)c3cccn(cnn4)c34,0.0
29450,CO-ADD:0218012,6.42,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(CNc(cc3)ccc3C)=O)o1,0.0
29451,CO-ADD:0218437,6.42,C(=O)(CCSCCC(=O)NCc1ccccc1)NCc2ccccc2,0.0
29452,CO-ADD:0225513,6.42,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5c(C)ccc(Cl)c5)=O,0.0
29453,CO-ADD:0225468,6.42,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc(cc5)ccc5CC)=O,0.0
29454,CO-ADD:0225580,6.42,N12C(C=CC(Sc3cccc(F)c3)=N1)=NN(CC(=O)Nc(cc4)ccc4C(OCC)=O)C2=O,0.0
29455,CO-ADD:0237009,6.42,OCC(C)(C)[C@@H](O)C(NCCC(NCCCCCCC)=O)=O,0.0
29456,CO-ADD:0229007,6.42,S(=O)(=O)(c1ccc(cc1)C)Oc2ccccc2[N+](=O)[O-],0.0
29458,CO-ADD:0234977,6.42,c1(cc(\C=N\NC(CNc2cccc(C)c2)=O)cc(OC)c1O)[N+](=O)[O-],0.0
29459,CO-ADD:0236481,6.41,n(c1C)(nnc1C(=O)N\N=C\c(ccc(c2OCC)O)c2)c3nonc3N,0.0
29460,CO-ADD:0227696,6.41,c1(cc(Cl)cc(Cl)c1O)C(=O)Nc2ccccc2Oc3cc(C)ccc3C(C)C,0.0
29461,CO-ADD:0227680,6.41,n1(CC(=O)N\N=C\c2cc(Br)ccc2O)nnnc1N,0.0
29462,CO-ADD:0236854,6.41,N1(c2cccc(cccc3)c23)C(=O)\C(=C\c(cc4)ccc4N(C)C)\C(NC1=S)=O,0.0
29463,CO-ADD:0227478,6.41,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(ccc(c2Br)O)c2)=C/c3cccs3,0.0
29464,CO-ADD:0227754,6.41,[N+](=O)([O-])c(ccc(c1\C=N\c2ccccc2OCC(C)C)O)c1,0.0
29465,CO-ADD:0231262,6.41,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc(cccc2\C=C/C(c3ccccc3)=O)c2)c1,0.0
29466,CO-ADD:0231724,6.41,c1(C(=O)N\N=C\c2ccccc2Cl)nn(c(c3ccccc3)n1)c4ccccc4,0.0
29467,CO-ADD:0227363,6.41,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC(CCCC)C(O)=O,0.0
29468,CO-ADD:0227153,6.41,n1(c2C)c(ncc2C(C)=O)cc(c3ccc(cc3)Br)n1,0.0
29469,CO-ADD:0229254,6.41,C(COc1ccccc1C)(=O)Nc2cccc(N)c2,0.0
29470,CO-ADD:0229673,6.41,c1(sc(c(c(cc2)ccc2c3ccccc3)n1)C)NC(=O)c4ccc(cc4)Br,0.0
29471,CO-ADD:0229617,6.41,n1c(ccc(C#N)c1SCC(=O)c2ccc(cc2)C)c(cccn3)c3,0.0
29472,CO-ADD:0229590,6.41,C(=O)(Nc(cccc1NC(=O)c2ccco2)c1)c3ccco3,0.0
29473,CO-ADD:0226970,6.41,N(C1=O)(c(ccs2)c2C(N3CCC(C)C)=O)C3=NN1CC(=O)N(C)c4ccccc4,0.0
29474,CO-ADD:0225388,6.41,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc5c(C)ccc(Cl)c5,0.0
29475,CO-ADD:0226164,6.41,S(=O)(=O)(N(Cc(cc1)ccc1OC)c2ccc(cc2)CC)c3cccn(c(nn4)C)c34,0.0
29476,CO-ADD:0226196,6.41,N12C(C=CC(=C1)S(=O)(=O)N3CCCC3)=NN(Cc(cccc4C(F)(F)F)c4)C2=O,0.0
29477,CO-ADD:0226893,6.41,c12n(c3c(cccc3)nc1SCC(=O)Nc4c(OC)ccc(Cl)c4)c(nn2)CC,0.0
29478,CO-ADD:0220914,6.41,c1(NCC(=O)N\N=C\C(C)C)c(Br)cc(cc1Br)Br,0.0
29479,CO-ADD:0219464,6.41,N(/c(ccc(c1Cl)Cl)c1)=C\c2ccccc2Cl,0.0
29480,CO-ADD:0219352,6.41,C(/O)(\c1ccc(cc1)C)=C/C=N/c(ccc(c2C)C)c2,0.0
29481,CO-ADD:0220266,6.41,c(\C=N\NC(CNc1cccc(C)c1)=O)(cc(Br)cc2Br)c2OC,0.0
29482,CO-ADD:0219775,6.41,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3Cl)c4ccccc4OC,0.0
29483,CO-ADD:0219802,6.41,C(OCCCC)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2OCc3ccccc3,0.0
29484,CO-ADD:0219597,6.41,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc2cccc(Cl)c2C,0.0
29485,CO-ADD:0218889,6.41,c1(c2c(cccc2)ccc1OC(=O)c3ccc(cc3)Cl)\C=N\c(cc4)ccc4C,0.0
29486,CO-ADD:0219589,6.41,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc2cccc(Cl)c2C,0.0
29487,CO-ADD:0219660,6.41,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c2ccccc2OCCCC,0.0
29488,CO-ADD:0220650,6.41,C(=N/NC(CNC(=O)C(c1ccccc1)c2ccccc2)=O)(/C3=O)\c(cc(Br)cc4Br)c4N3,0.0
29489,CO-ADD:0226065,6.41,C1(=N2)N(C=CN=C1N3CC(C)CC(C)C3)C(N2CC(=O)NCc4ccccc4Cl)=O,0.0
29490,CO-ADD:0226081,6.41,S(=O)(=O)(N(c1ccccc1)Cc(ccc(c2F)OC)c2)c3cccn(c(nn4)CC)c34,0.0
29491,CO-ADD:0226037,6.41,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)NCc(cc4)ccc4SC)=O,0.0
29492,CO-ADD:0225516,6.4,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)NCc5ccccc5Cl)=O,0.0
29493,CO-ADD:0225628,6.4,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc(cc4)ccc4OCC)=O,0.0
29494,CO-ADD:0226761,6.4,c12n(c(nn1)SCc(cccc3C(F)(F)F)c3)c(c4C(=O)N2Cc(cc5)ccc5C(C)C)ccs4,0.0
29495,CO-ADD:0225713,6.4,C1(=N2)N(C=Nc3c1sc(n3)N4CCCC4)C(N2CC(=O)Nc(cc5)ccc5C(OCC)=O)=O,0.0
29496,CO-ADD:0225562,6.4,N12C(C=CC(C(=O)Nc(cc3)ccc3OC)=C1)=NN(CC(=O)Nc(cc4)ccc4S(C)(=O)=O)C2=O,0.0
29497,CO-ADD:0215491,6.4,C(Oc(cc1)ccc1C(=O)Nc(ccc(c23)cccc2)c3)(=S)Nc(cc4)ccc4Br,0.0
29498,CO-ADD:0215598,6.4,c1(C(F)(F)F)nc(sc1c2ccccc2)N\N=C\c3ccc(cc3OC)OC,0.0
29499,CO-ADD:0215646,6.4,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)N\N=C\c(cc3)ccc3C(OC)=O,0.0
29500,CO-ADD:0215487,6.4,[N+](=O)([O-])c(cccc1C(=O)Nc(cccc2\C=C\C(c3ccccc3)=O)c2)c1,0.0
29501,CO-ADD:0214907,6.4,N1(c2cccc(O)c2)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
29502,CO-ADD:0227646,6.4,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2C)Cl)CC(=O)N(CC3)CCO3,0.0
29503,CO-ADD:0227709,6.4,c1(C#N)c(c2ccc(cc2)OC)c3c(nc1N)CCCCCC3,0.0
29504,CO-ADD:0227659,6.4,c1(C#N)c(N)nc(c2c1c3cccs3)CCCCC2,0.0
29505,CO-ADD:0228986,6.4,N(=C(/CC)\c1ccccc1)/NC(=O)c2cccc(Cl)c2,0.0
29506,CO-ADD:0227740,6.4,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2F)\C(N1c3ccc(cc3)OCC)=O,0.0
29507,CO-ADD:0236838,6.4,N12c(c(C3C(CC=C3)C1)c4)c(C5C(CC=C5)C2)cc4C(=O)OCC(=O)c(cc6)ccc6[N+](=O)[O-],0.0
29508,CO-ADD:0236047,6.4,N1(CC(OCC(=O)Nc2sc(c3c2C(OCC)=O)CCC3)=O)C(=O)c(c4C1=O)cccc4,0.0
29509,CO-ADD:0234348,6.4,n(c(OCC(F)(F)F)nc(n1)NC)c1OCC(F)(F)F,0.0
29510,CO-ADD:0234162,6.4,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)cc(c3OC(=O)c4ccccc4Cl)OCC,0.0
29511,CO-ADD:0234199,6.4,n1c2c(oc1c3cccc(c3)\N=C\c(c(C)c(Br)c(c4Br)O)c4O)cccc2C,0.0
29512,CO-ADD:0234167,6.4,C(=O)(N\N=C\c1cc(I)ccc1O)c(ccc(c23)OCCO2)c3,0.0
29513,CO-ADD:0227950,6.4,[N+](=O)([O-])c(cc1)cc(c1N(C)C2CCCCC2)\C=N\Nc(cc3)ccc3[N+](=O)[O-],0.0
29514,CO-ADD:0229642,6.4,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(Br)c2)c3ccc(cc3C)Cl,0.0
29515,CO-ADD:0227459,6.4,C(CNc1cccc(cccc2)c12)(=O)N\N=C(/C)\CCc3ccccc3,0.0
29516,CO-ADD:0229357,6.4,S1(=O)(=O)c2c(C(N(CCOCC=C)CCOCC=C)=N1)ccc(c2)[N+](=O)[O-],0.0
29517,CO-ADD:0229350,6.4,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C(/C)\c2ccc(cc2)F)c3c(OC)ccc(Cl)c3,0.0
29518,CO-ADD:0229892,6.4,c1(N(CC2)CCO2)nc(NN)nc(Nc(ccc(c3Cl)C)c3)n1,0.0
29519,CO-ADD:0227125,6.4,N1\C(=N/N=C/c(ccc(c2O)O)c2)\SC(CC(O)=O)C1=O,0.0
29520,CO-ADD:0227269,6.4,[N+](=O)([O-])c1cccc(c1)\C=N\c2cc(CC)ccc2O,0.0
29521,CO-ADD:0229457,6.4,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\c(ccc(c2OC)OCCCCC)c2,0.0
29522,CO-ADD:0227947,6.4,c(Nc(cc1)ccc1OC)(nc(N\N=C\c(ccc2c(cc3)ccc3C(O)=O)o2)nc4Nc5ccccc5)n4,0.0
29523,CO-ADD:0231722,6.4,c1(OCC(=O)N\N=C\c2ccc(cc2OC)OC)c(OC)cc(cc1Br)Br,0.0
29524,CO-ADD:0229247,6.4,c(c(OC)c1)(cc(c1C(c2ccccc2)=O)OC)C(=O)Nc(cc3)ccc3N(C)C,0.0
29525,CO-ADD:0225378,6.4,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc(cccc5C#N)c5,0.0
29526,CO-ADD:0226944,6.4,C1(=N2)N(c3c(cccc3)N=C1N(CC4)CCO4)C(N2CC(=O)NCc5ccccc5Cl)=O,0.0
29527,CO-ADD:0221714,6.4,N(=C\c1cccc(Br)c1)/NC(CCCC(=O)Nc2cccc(Br)c2)=O,0.0
29528,CO-ADD:0221506,6.4,[N+](=O)([O-])c(ccc(c1NC(=O)c(cccc2C(=O)Nc(c(OC)ccc3[N+](=O)[O-])c3)c2)OC)c1,0.0
29529,CO-ADD:0220981,6.4,n(Cc1ccccc1)(c2c(c3\C=N\NC(=O)c4cc(Br)ccc4O)cccc2)c3C,0.0
29530,CO-ADD:0220883,6.4,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c3cccc(OC)c3O,0.0
29531,CO-ADD:0221014,6.4,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2cccc(C)c2O,0.0
29532,CO-ADD:0220870,6.4,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(=O)OC(CCCCCCC)CC,0.0
29533,CO-ADD:0220012,6.4,C1(C#N)=C2C(=C(C)NC1=O)CCCC2,0.0
29534,CO-ADD:0220025,6.4,n1c(c2ccccc2)cc(cc1c3ccccc3)c4ccc(cc4)Br,0.0
29535,CO-ADD:0220455,6.4,C(COc(cc1)c(C)cc1C(C)(C)C)(=O)N\N=C\c2cccc(O)c2,0.0
29536,CO-ADD:0222009,6.4,C(=O)(c1ccc(cc1)C)Nc2cccc(c2)OC(=O)c3ccc(cc3)Br,0.0
29537,CO-ADD:0222468,6.4,N1(c2cccc(c2)C(=O)OCC(c3ccccc3)=O)C(=O)c4c(cccc4)C1=O,0.0
29538,CO-ADD:0220764,6.4,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(c(OC)ccc2[N+](=O)[O-])c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
29539,CO-ADD:0222467,6.4,N1(c2cccc(c2)C(=O)OCC(c3ccccc3)=O)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
29540,CO-ADD:0226080,6.4,S(=O)(=O)(N(c1ccccc1)Cc2cccc(Cl)c2)c3cccn(c(nn4)CC)c34,0.0
29541,CO-ADD:0225993,6.4,n12c(ccc(c3ccc(c(C)c3)C)n1)nnc2CCC(=O)NCc(cc4)ccc4C(F)(F)F,0.0
29542,CO-ADD:0225668,6.39,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)N(CC4)CCN4c5ccccc5F)=O,0.0
29543,CO-ADD:0225692,6.39,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)Nc(cc4)ccc4C(C)C)=O,0.0
29544,CO-ADD:0225549,6.39,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc4c(C)ccc(F)c4)c2,0.0
29545,CO-ADD:0225565,6.39,N12C(C=CC(Sc3ccccc3)=N1)=NN(CC(=O)Nc(cc4)ccc4C(OCC)=O)C2=O,0.0
29546,CO-ADD:0215587,6.39,C(=O)(c1ccc(cc1)OC)Oc2cc(ccc2\C=N\c3cccc(C)c3)OC(=O)c4ccc(cc4)OC,0.0
29547,CO-ADD:0215611,6.39,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)CCSc(cc2)ccc2Cl)OC)c1,0.0
29548,CO-ADD:0215498,6.39,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c2cc(Br)ccc2OC,0.0
29549,CO-ADD:0214890,6.39,C(=C/Nc(cc1)ccc1S(=O)(=O)NCc2ccccc2)(/C(=O)NC(N3)=S)\C3=O,0.0
29550,CO-ADD:0215570,6.39,C(=O)(c1ccc(cc1)OC)Oc2cc(ccc2\C=N\c(cc3)ccc3OCC)OC(=O)c4ccc(cc4)OC,0.0
29551,CO-ADD:0215731,6.39,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2C(CCC(O)=O)=O,0.0
29552,CO-ADD:0233552,6.39,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cc3)cc(c3OC(=O)c4cccc(OC)c4)OC,0.0
29553,CO-ADD:0234096,6.39,C(OCCCCCCCCCCOC(=O)c1ccc(cc1)O)(=O)c2ccc(cc2)O,0.0
29554,CO-ADD:0236523,6.39,C(=O)(c(ccc(c12)OCO1)c2)Oc3ccccc3C=O,0.0
29555,CO-ADD:0236907,6.39,N1(\N=C\c(cc2OC)cc(c2O)Br)C(=O)C(C3C1=O)C4C=CC3CC4,0.0
29556,CO-ADD:0231628,6.39,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3[N+](=O)[O-])nc(Nc(cc4)ccc4OC)n1,0.0
29557,CO-ADD:0234394,6.39,n1c(N)nc(c2c1N)CCCC2,0.0
29558,CO-ADD:0234489,6.39,c1(oc(nc1C)C)C(=O)c2coc(ccc(OC(C)=O)c3)c23,0.0
29559,CO-ADD:0234628,6.39,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(CNC(=O)c3cccc(F)c3)=O,0.0
29560,CO-ADD:0233200,6.39,c1(nonc1N)\C(\N)=N\O,0.0
29561,CO-ADD:0231659,6.39,c1(OCC(=O)N\N=C\c2cccc(Cl)c2)c(OC)cc(cc1Br)Br,0.0
29562,CO-ADD:0233442,6.39,c(cc(Br)cc1Cl)(\C=N\c2ccc(cc2N)C)c1O,0.0
29563,CO-ADD:0231852,6.39,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c4ccccc4,0.0
29564,CO-ADD:0229893,6.39,c1(nc(c2n1CC(=O)N\N=C\c(cc3)ccc3Br)cccc2)c4nonc4N,0.0
29565,CO-ADD:0229302,6.39,c1(C(OCC)=O)c(N)sc2c1CC(C)(C)NC2(C)C,0.0
29566,CO-ADD:0227810,6.39,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccccc4Cl)c3C#N)C#N,0.0
29567,CO-ADD:0227512,6.39,C(=O)(NCC(=O)N\N=C/c(ccc(c1Cl)OC)c1)c2ccc(c(OC)c2)OC,0.0
29568,CO-ADD:0227504,6.39,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N/NC(COc3cc(C)ccc3C(C)C)=O)o1,0.0
29569,CO-ADD:0227105,6.39,C1(C#N)(C#N)C(c2cccs2)C(C3)C(C(C#N)=C1N)=CCN3CC,0.0
29570,CO-ADD:0229239,6.39,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(CC)c1C,0.0
29571,CO-ADD:0227940,6.39,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3cccc(CC=C)c3O,0.0
29572,CO-ADD:0227803,6.39,N1C(C)(C)CC(CC1(C)C)OC(=O)CCN2CCCCC2,0.0
29573,CO-ADD:0221069,6.39,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2ccc(cc2O)OC,0.0
29574,CO-ADD:0221097,6.39,C(=O)(Nc1ccccc1)C(NCC=C)=S,0.0
29575,CO-ADD:0219547,6.39,C(/O)(\c1ccc(cc1)Cl)=C/C=N/c(cc2)ccc2CCCC,0.0
29576,CO-ADD:0219058,6.39,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1Cl)Cl)=O)Nc2cccc(Cl)c2C,0.0
29577,CO-ADD:0221436,6.39,S(=O)(=O)(c(cccc1C(=O)Oc(cccc2NC(=O)c3cccc(OC)c3)c2)c1)N(CC4)CCO4,0.0
29578,CO-ADD:0221869,6.39,N(C(=O)\C(\S1)=C/c2cccc(OC)c2)=C1N(CC3)CCN3C4=NC(\C(=C/c5cccc(OC)c5)\S4)=O,0.0
29579,CO-ADD:0222709,6.39,C12(\C=N\c3ccccc3C(O)=O)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OCC)=O)c(cccc7)c27,0.0
29580,CO-ADD:0220338,6.39,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(CNc(cc2)ccc2C)=O,0.0
29581,CO-ADD:0220316,6.39,c1(cc(C)c(cc1O)C)\C=N\c2ccc(cc2O)C,0.0
29582,CO-ADD:0219843,6.39,C(O)(=O)c1cccc(c1)NC(CCCCC)=O,0.0
29583,CO-ADD:0219821,6.39,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC2CC2)c1,0.0
29584,CO-ADD:0219629,6.39,c1(C)c(cccc1NC(CCC(=O)N\N=C\c2cccc(Cl)c2)=O)Cl,0.0
29585,CO-ADD:0222047,6.39,c1(C(F)(F)F)n[nH]c(N)n1,0.0
29586,CO-ADD:0225826,6.39,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)Nc4ccccc4CC)=O,0.0
29587,CO-ADD:0226522,6.39,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCC#N,0.0
29588,CO-ADD:0226802,6.39,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(ccc(c4Cl)OC)c4)c(nn1)C(C)C,0.0
29589,CO-ADD:0225997,6.39,C1(=N2)N(C=CN=C1N3CCCC3)C(N2CC(=O)Nc(c4)cc(cc4C)C)=O,0.0
29590,CO-ADD:0225322,6.39,c12n(c3c(cccc3)nc1N4CCCCC4)c(nn2)CCC(=O)NCc(cc5)ccc5Cl,0.0
29591,CO-ADD:0225482,6.38,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc(ccc(c56)OCO5)c6)=O,0.0
29592,CO-ADD:0226698,6.38,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc(cc4)ccc4F,0.0
29593,CO-ADD:0225658,6.38,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc4c(F)ccc(F)c4)=O,0.0
29594,CO-ADD:0225682,6.38,C1(=N2)N(C=CN=C1Oc3cccc(C)c3C)C(N2CC(=O)Nc(cccc4C(F)(F)F)c4)=O,0.0
29595,CO-ADD:0215406,6.38,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)OC(C)=C2C(OC)=O,0.0
29596,CO-ADD:0215784,6.38,C(NCc1ccco1)(=S)Nc2ccccc2,0.0
29597,CO-ADD:0215136,6.38,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C/NNc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
29598,CO-ADD:0215721,6.38,c1(ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc(cc2)ccn2,0.0
29599,CO-ADD:0215353,6.38,C1(C#N)(C#N)C(c2ccccc2C(F)(F)F)C(C3)C(C(C#N)=C1N)=CCS3,0.0
29600,CO-ADD:0215089,6.38,c1(Cl)cc(Cl)ccc1\C=N\NC(=O)CCOc2ccccc2C,0.0
29601,CO-ADD:0215795,6.38,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNC(OCc2ccccc2)=O)=O,0.0
29602,CO-ADD:0215147,6.38,s1c(\N=C\c2cccc(OC)c2O)nnc1c3cccc(C)c3,0.0
29603,CO-ADD:0215827,6.38,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1F)C(NCCO)=O,0.0
29604,CO-ADD:0215835,6.38,C(Oc(cccc1C(=O)Nc2cccc(C)c2)c1)(=S)Nc(cc3)ccc3Cl,0.0
29605,CO-ADD:0233466,6.38,c1(N(CC2)CCO2)nc(N\N=C/c(cc3)ccc3Cl)nc(Nc(ccc(c45)cccc4)c5)n1,0.0
29606,CO-ADD:0229016,6.38,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(\COC(=O)c2cccc(c2)NC(CCC)=O)/c3ccc(cc3)OC)[N+](=O)[O-],0.0
29607,CO-ADD:0234772,6.38,c1(C(OC)=O)c(c2ccc(cc2)OC)c([nH]c1C)C,0.0
29608,CO-ADD:0234912,6.38,[N+](=O)([O-])c(cc1)ccc1\C=C(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3c4c(cccc4)cc(Br)c3O,0.0
29609,CO-ADD:0234962,6.38,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(=O)c(ccc(c23)OCCO2)c3,0.0
29610,CO-ADD:0234994,6.38,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
29611,CO-ADD:0229445,6.38,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\c2ccccc2OCC(OCC)=O,0.0
29612,CO-ADD:0229429,6.38,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c(cc(Cl)cc2Cl)c2OC)c3ccccc3Br,0.0
29613,CO-ADD:0227958,6.38,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
29614,CO-ADD:0227919,6.38,N1([C@H](C(c2ccccc2)=O)[C@H]([C@@H]3C(=O)C45CC6CC(CC(C6)C4)C5)c7ccccc7)[C@@]3([H])C=CC(C(OCC)=O)=C1,0.0
29615,CO-ADD:0229140,6.38,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c2ccccc2)c3ccccc3Cl,0.0
29616,CO-ADD:0229105,6.38,C(=O)(Nc(cccc1C(=O)N\N=C\c2ccc(cc2Cl)Cl)c1)c3ccccc3F,0.0
29617,CO-ADD:0221720,6.38,N1(CNc(cc2)ccc2c3ccccc3)C(=O)\C(\SC1=S)=C/c(cc4)ccc4N(C)C,0.0
29618,CO-ADD:0220170,6.38,c1(\C=N\NC(CNc(cc2)ccc2C)=O)c3c(cccc3)cc(cccc4)c14,0.0
29619,CO-ADD:0220286,6.38,N(=C\c1cccc(Cl)c1)/NC(CCCCCCCCCCCCC)=O,0.0
29620,CO-ADD:0220571,6.38,N(=C(/CC)\c(cc1)ccc1c2ccccc2)/NC(CNc3ccccc3C)=O,0.0
29621,CO-ADD:0225205,6.38,c12n(ccn(c(nn3)CCC(=O)NCc(ccc(c4Cl)F)c4)c13)nc(c5ccc(c(C)c5)C)c2,0.0
29622,CO-ADD:0226357,6.38,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)Nc(ccc(c4F)C)c4,0.0
29623,CO-ADD:0219609,6.38,C(=O)(N\N=C\c1cccc(Br)c1)C(=O)Nc2ccc(cc2C)Cl,0.0
29624,CO-ADD:0219581,6.38,C(=O)(N\N=C(/C)\CC(=O)NCc(cc1)ccc1Cl)C(=O)Nc(ccc(c2Cl)C)c2,0.0
29625,CO-ADD:0219690,6.38,S(c1ccccc1)(=O)(=O)N(c2ccc(c(C)c2)C)CC(=O)N\N=C\c3ccccc3OCCCCCCC,0.0
29626,CO-ADD:0222291,6.38,c1(c(cccn2)c2)oc(c3n1)ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
29627,CO-ADD:0220541,6.38,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(CNc3cccc(C)c3)=O,0.0
29628,CO-ADD:0220473,6.38,C(COc1ccc(cc1Br)C)(=O)N\N=C\c2ccccc2Cl,0.0
29629,CO-ADD:0222012,6.38,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Br)Nc(cc3)ccc3Br,0.0
29630,CO-ADD:0222015,6.38,C(=C\c(cccc1NC(=O)\C=C\c2ccccc2)c1)/C(c3ccccc3)=O,0.0
29631,CO-ADD:0222455,6.38,C(=O)(N\N=C\c(ccc(c1I)OC)c1)C(O)c2ccccc2,0.0
29632,CO-ADD:0226010,6.38,C1(=N2)N(C=CN=C1N3CCCC(C)C3)C(N2CC(=O)Nc4cc(C)ccc4C)=O,0.0
29633,CO-ADD:0226536,6.38,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)c4cccc(OC)c4,0.0
29634,CO-ADD:0225253,6.38,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)NCc(cc4)ccc4C)C2=O,0.0
29635,CO-ADD:0226717,6.38,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(Cc(cc5)ccc5F)C1=O,0.0
29636,CO-ADD:0225725,6.38,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4ccc(cc4C)C)=O,0.0
29637,CO-ADD:0225706,6.38,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)NCc(cc4)ccc4C)=O,0.0
29638,CO-ADD:0225714,6.38,C1(=N2)N(C=Nc3c1sc(n3)N4CCCC4)C(N2CC(=O)Nc5ccccc5C(OCC)=O)=O,0.0
29639,CO-ADD:0215583,6.38,C(=O)(c1ccc(cc1)OC)Oc2cc(ccc2\C=N\c(ccc(c3C)C)c3)OC(=O)c4ccc(cc4)OC,0.0
29640,CO-ADD:0215599,6.38,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)C(=O)Nc3cccc(OC)c3,0.0
29641,CO-ADD:0215384,6.38,c(C(=O)Nc(cc1)ccc1I)(c(N)c(c23)ccc(c4cccs4)n2)s3,0.0
29642,CO-ADD:0165870,6.38,S(NCCCC(NCCCCC)=O)(=O)(=O)c(cc1)ccc1[N+](=O)[O-],0.0
29643,CO-ADD:0165896,6.38,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O,0.0
29644,CO-ADD:0166147,6.38,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(COc(ccc(c3C)C)c3)=O)o2)c1,0.0
29645,CO-ADD:0165876,6.38,C(=O)(Nc(cc1)ccc1OCC)C\C(\C)=N\NC(=O)c2ccc(cc2)NC(C)=O,0.0
29646,CO-ADD:0166204,6.38,c1(c(C)cccc1C)OCC(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
29647,CO-ADD:0166589,6.38,C(=O)(N\N=C\c(ccc(c12)OCO1)c2)C(CC)Oc3cccc(Br)c3,0.0
29649,CO-ADD:0234940,6.38,c1(cc(cc(OC)c1OCC(=O)N\N=C\C(\C)=C\c2ccccc2)[N+](=O)[O-])[N+](=O)[O-],0.0
29650,CO-ADD:0229778,6.38,C(=O)(Nc1ccccc1)C(NCCCn(ccn2)c2)=O,0.0
29651,CO-ADD:0234871,6.38,c1(c(C)cccc1C)OCC(=O)N\N=C\c2cccc(O)c2,0.0
29652,CO-ADD:0234447,6.38,N(c1ccc(cc1C)C)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
29653,CO-ADD:0227637,6.38,n1(c2C)c(ncc2C(OCC)=O)c(c(C)n1)c3ccccc3,0.0
29654,CO-ADD:0233741,6.38,C(=O)([C@H](Cc1c[nH]cn1)NC(C)=O)N(CC2)CCC2(C)c(ccn3)o3,0.0
29655,CO-ADD:0234102,6.38,c12c(CCCC1=O)c3c(ccc(Oc4ccccc4)c3)[nH]2,0.0
29656,CO-ADD:0233364,6.38,c(C(=O)Nc(c1)cc(cc1Oc2ccccc2C)Oc3ccccc3C)(cn(n4)c5ccccc5)c4c6ccccc6,0.0
29657,CO-ADD:0234290,6.37,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccccc3I,0.0
29658,CO-ADD:0229127,6.37,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c3cccc(OC)c3)c2,0.0
29659,CO-ADD:0227450,6.37,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
29660,CO-ADD:0229394,6.37,N1(c2ccccc2C)C(=O)c3c(cccc3)C1=O,0.0
29661,CO-ADD:0227812,6.37,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(c(OC)c4)O)c3C#N)C#N,0.0
29662,CO-ADD:0229653,6.37,C(CCCCCCCCC(OC)=O)(=O)N(CCCCC)CCCCC,0.0
29663,CO-ADD:0229274,6.37,[N+](=O)([O-])c1ccccc1C(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
29664,CO-ADD:0225170,6.37,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)c(cccc4[N+](=O)[O-])c4,0.0
29665,CO-ADD:0225163,6.37,C1(=N2)N(C=CN(c3ccc(cc3)Br)C1=O)C(N2CC(=O)Nc(cc4)ccc4CC)=O,0.0
29666,CO-ADD:0226320,6.37,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)N(C)c4cccc(C)c4,0.0
29667,CO-ADD:0226252,6.37,S(=O)(=O)(N(Cc(cc1F)cc(c1)F)c2cccc(F)c2)c(ccc(n3c4)nn4)c3,0.0
29668,CO-ADD:0220154,6.37,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
29669,CO-ADD:0220144,6.37,C(=N\NC(CNc(cc1)ccc1C)=O)(/c2c(N3)cccc2)\C3=O,0.0
29670,CO-ADD:0219124,6.37,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)Nc2cccc(F)c2,0.0
29671,CO-ADD:0222169,6.37,n1c(ccc(c2)\N=C\c(c(O)ccc3[N+](=O)[O-])c3)c2oc1c4ccc(cc4)Cl,0.0
29672,CO-ADD:0219503,6.37,N(=C\c(ccc(c1OCC)OCC=C)c1)/NC(Cc2ccccc2)=O,0.0
29673,CO-ADD:0219369,6.37,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2I,0.0
29674,CO-ADD:0221224,6.37,N1(C(OCCCCC)=O)c(ccc(c2)[N+](=O)[O-])c2OC1=O,0.0
29675,CO-ADD:0220949,6.37,C(=N/NC(COc1cccc(Br)c1)=O)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
29676,CO-ADD:0218979,6.37,c1(OCC(=O)Nc(ccc(c2Cl)C)c2)c(C)cc(cc1C)C,0.0
29677,CO-ADD:0219424,6.37,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(NCCOC)=O,0.0
29678,CO-ADD:0218129,6.37,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)SCC(=O)Nc(ccc(c3Cl)Cl)c3,0.0
29679,CO-ADD:0218110,6.37,c1(SCC(=O)N\N=C\c2cccc(I)c2)oc(c3n1)cccc3,0.0
29680,CO-ADD:0218639,6.37,[N+](=O)([O-])c1ccccc1C(=O)N\N=C(/C)\CC(=O)Nc2ccc(cc2Cl)Cl,0.0
29681,CO-ADD:0225722,6.37,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc(cc4)ccc4CC)=O,0.0
29682,CO-ADD:0225451,6.37,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)NC5CCCC5)=O,0.0
29683,CO-ADD:0225483,6.37,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc(ccc(c56)OCCO5)c6)=O,0.0
29684,CO-ADD:0225603,6.37,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccc(c(OC)c4)OC)=O,0.0
29685,CO-ADD:0226695,6.37,c12n(c(nn1)SCc(cccc3C(F)(F)F)c3)c(c4C(=O)N2Cc5cccs5)ccs4,0.0
29686,CO-ADD:0166613,6.37,c1(sc(c2n1)cccc2)NC(c3ccccc3)=O,0.0
29687,CO-ADD:0165872,6.37,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C/c(cc2)ccc2OC,0.0
29688,CO-ADD:0166088,6.37,c1(ccc(\C=N\NC(COc(ccc(c2C)C)c2)=O)o1)c3cc(Cl)ccc3Cl,0.0
29689,CO-ADD:0166420,6.37,N1(CNc2ccccc2Cl)C(=O)\C(\SC1=O)=C\c(cc3)ccc3O,0.0
29690,CO-ADD:0166720,6.37,C1(C2c3ccc(cc3)Cl)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
29691,CO-ADD:0166746,6.37,N1(c2ccc(cc2)O)C(=O)c3c(c(c4)C1=O)c(ccc3)c(c4[N+](=O)[O-])Br,0.0
29692,CO-ADD:0234773,6.37,c1(C(OC)=O)c(C)[nH]c(C)c1c(cccc2[N+](=O)[O-])c2,0.0
29693,CO-ADD:0234941,6.37,c1(cc(cc(OC)c1OCC(=O)N\N=C\c2ccc(cc2O)OC)[N+](=O)[O-])[N+](=O)[O-],0.0
29694,CO-ADD:0231369,6.37,[N+](=O)([O-])c1ccc(cc1)N\N=C\c2ccccc2OC(=O)\C=C\c3ccccc3,0.0
29695,CO-ADD:0234464,6.37,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2C(=S)N(CC3)CCO3)c1C,0.0
29696,CO-ADD:0233536,6.37,[N+](=O)([O-])c(ccc(c1\C=N\NC(=S)Nc2ccccc2)N(CC3)CCO3)c1,0.0
29697,CO-ADD:0234878,6.37,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
29698,CO-ADD:0234364,6.37,C(=C(/C#N)\C#N)(/C(=O)c(c12)cccc1)\C2=O,0.0
29699,CO-ADD:0236413,6.37,c1(ccc(Br)o1)C(=O)NCC(=O)OCC(c2ccccc2)=O,0.0
29700,CO-ADD:0234132,6.37,[N+](=O)([O-])c1ccc(cc1N)NCCN,0.0
29701,CO-ADD:0234154,6.36,n1c2c(oc1c3cccc(c3)\N=C\c(ccc(c4Cl)OC)c4)cccc2C,0.0
29702,CO-ADD:0234672,6.36,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
29703,CO-ADD:0233562,6.36,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)C2COc(c3O2)cccc3)c4ccccc4I,0.0
29704,CO-ADD:0229531,6.36,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/NCc3ccccc3,0.0
29705,CO-ADD:0229497,6.36,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\Nc(c(Cl)c3)c(Cl)cc3[N+](=O)[O-],0.0
29706,CO-ADD:0227971,6.36,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2Br)\C=N\NC(COc3ccc(cc3OC)Br)=O,0.0
29707,CO-ADD:0229413,6.36,C1(C(OCCOCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCc3ccccc3,0.0
29708,CO-ADD:0229440,6.36,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c(cc(Br)cc2Br)c2O)c3ccccc3Br,0.0
29709,CO-ADD:0229282,6.36,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(cc6)ccc6[N+](=O)[O-])o5,0.0
29710,CO-ADD:0225876,6.36,C1(=N2)N(C=CN=C1SCc3ccccc3)C(N2CC(=O)NCc(cc4)ccc4Cl)=O,0.0
29711,CO-ADD:0226361,6.36,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)Nc4ccccc4,0.0
29712,CO-ADD:0225241,6.36,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc(ccc(c45)OCO4)c5)C2=O,0.0
29713,CO-ADD:0225847,6.36,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)Nc(ccc(c4Cl)OC)c4)=O,0.0
29714,CO-ADD:0225898,6.36,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)Nc4cccc(C)c4C)C2=O,0.0
29715,CO-ADD:0220117,6.36,p1(OCC)(OCC)cc(c2ccccc2)c(nc1c3ccccc3)c(cc4)ccc4[N+](=O)[O-],0.0
29716,CO-ADD:0220661,6.36,c1(\C=N\NC(COc(ccc(c23)cccc2)c3)=O)c(Br)cc(c(O)c1Br)Br,0.0
29717,CO-ADD:0219571,6.36,C(=O)(N\N=C\c1ccccc1I)C(=O)Nc2cccc(C)c2,0.0
29718,CO-ADD:0222613,6.36,S(=O)(=O)(N(CC)CC)c(cc1)ccc1c2csc(Nc3ccccc3OC)n2.Br,0.0
29719,CO-ADD:0222180,6.36,n1c(ccc(c2)\N=C\c3ccc(cc3Cl)Cl)c2oc1c4ccc(cc4)Cl,0.0
29720,CO-ADD:0222311,6.36,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c(cc(Cl)cc5Cl)c5O,0.0
29721,CO-ADD:0222844,6.36,O(CC(C)NCCO)c1ccccc1,0.0
29722,CO-ADD:0222623,6.36,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/CC(C)CC2)\C2C3CC(CC34)CC4)[N+](=O)[O-],0.0
29723,CO-ADD:0222693,6.36,[N+](=O)([O-])c(ccc(c1C(=O)Nc(cc2)ccc2I)C(O)=O)c1,0.0
29724,CO-ADD:0220745,6.36,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc(ccc(c3)C(C)C)c3C)=O,0.0
29725,CO-ADD:0219658,6.36,C(=O)(N\N=C\c(ccc(c1OC)OCc(cc2)ccc2Br)c1)C(=O)Nc3ccc(cc3C)Cl,0.0
29726,CO-ADD:0219765,6.36,C(c1ccccc1)(=O)NC(Cc2ccccc2)C(OCCC)=O,0.0
29727,CO-ADD:0219432,6.36,N(C(OC)c1ccccc1)C(c2ccccc2)=O,0.0
29728,CO-ADD:0219441,6.36,[N+](=O)([O-])c1ccccc1C(=O)N\N=C(/C)\CC(NCC=C)=O,0.0
29729,CO-ADD:0220510,6.36,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N\N=C\c(c2)c(N(CC)CC)ccc2[N+](=O)[O-],0.0
29730,CO-ADD:0221149,6.36,S(c1ccccc1)(=O)(=O)N(CC(=O)NC2CCCCC2O)c3c(OC)ccc(OC)c3,0.0
29731,CO-ADD:0221891,6.36,c1(cc(c2o1)cccc2)C(=O)Nc(cc3)ccc3OCCCCC,0.0
29732,CO-ADD:0218071,6.36,n1c2c(oc1c(cc3)ccc3C(C)(C)C)ccc(c2)\N=C\c(cc4)ccc4OCc5ccccc5,0.0
29733,CO-ADD:0218538,6.36,C(=O)(c(cc1)ccc1C(C)(C)C)NCc(cc2)ccc2C(C)C,0.0
29734,CO-ADD:0218225,6.36,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c(cc4)ccc4[N+](=O)[O-],0.0
29735,CO-ADD:0218081,6.36,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c2ccco2)=O)c3ccco3,0.0
29736,CO-ADD:0218109,6.36,n1c2c(cccc2)ccc1SCC(=O)N\N=C/c3ccccc3O,0.0
29737,CO-ADD:0218130,6.36,c1(occc1C)C(=O)NCc2ccccc2,0.0
29738,CO-ADD:0226495,6.36,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)c4c5c([nH]c4C)cccc5,0.0
29739,CO-ADD:0226668,6.36,c1(C2=O)n(c(nn1)CC)c3c(cccc3)N2CC(=O)Nc(cc4)ccc4C(C)C,0.0
29740,CO-ADD:0225261,6.36,N12C(C=CC(SC(C)C)=N1)=NN(CC(=O)Nc3ccc(c(OC)c3)OC)C2=O,0.0
29741,CO-ADD:0225269,6.36,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc3ccc(cc3C)C)C2=O,0.0
29742,CO-ADD:0166039,6.36,c1(ccccc1OC)C(=O)N\N=C\c(cc2)ccc2C#N,0.0
29743,CO-ADD:0166716,6.36,C1(C#N)(C#N)[C@@H](c2ccc(cc2)Cl)[C@]([H])(C3)C(C(C#N)=C1N)=CCN3C(C)C,0.0
29744,CO-ADD:0166764,6.36,N1(c2c(Cl)ccc(Cl)c2)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\c3ccccc3,0.0
29745,CO-ADD:0165970,6.35,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccccc2O)c3ccccc3OC(C)=O,0.0
29746,CO-ADD:0166403,6.35,C(=N\c(cc1)ccc1C)(/SC=C2c3ccc(cc3)Br)\N2c4ccc(cc4)C,0.0
29747,CO-ADD:0166329,6.35,N1(c2cccc(c2)[N+](=O)[O-])CC(CC1=O)C(=O)Nc(cc3)ccc3OC,0.0
29748,CO-ADD:0166197,6.35,c(\C=N\NC(=O)c(cccn1)c1)(cc(I)cc2I)c2O,0.0
29749,CO-ADD:0234225,6.35,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c3cccc(Br)c3,0.0
29750,CO-ADD:0234158,6.35,C1(COc(c2O1)cccc2)C(=O)N\N=C\c3cc(Br)cc(Br)c3OC(=O)c4cccc(Br)c4,0.0
29751,CO-ADD:0233125,6.35,c1(O)c(cccc1\C=N\c(cc2)ccc2N(CC)CC)OC,0.0
29752,CO-ADD:0233455,6.35,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(Br)c3,0.0
29753,CO-ADD:0236882,6.35,N1(C(=O)c2ccc(cc2)Br)N=C(CC1(O)C(C)(C)C)C,0.0
29754,CO-ADD:0231629,6.35,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c(cc(Cl)cc4Br)c4O,0.0
29755,CO-ADD:0233143,6.35,c12c(n(c(SCC(c3ccccc3)=O)n1)CCCCCC)C(NC(=O)N2C)=O,0.0
29756,CO-ADD:0234711,6.35,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccccc2C#N)=O)c3ccccc3Br,0.0
29757,CO-ADD:0234636,6.35,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)Br)OC(c3ccccc3)=O,0.0
29758,CO-ADD:0234634,6.35,c1(oc(c2n1)ccc(c2)\N=C\c(c(O)ccc3[N+](=O)[O-])c3)c4c(O)cc(c5c4)cccc5,0.0
29759,CO-ADD:0229776,6.35,c1(SCC(=O)Nc2ccccc2F)sc(c3n1)cccc3,0.0
29760,CO-ADD:0233680,6.35,C(=O)(Nc1cccc(I)c1)\C=C\C(O)=O,0.0
29761,CO-ADD:0229923,6.35,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2C(C)=O,0.0
29762,CO-ADD:0229340,6.35,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3Cl)nc(Nc(ccc(c4Cl)C)c4)n1,0.0
29763,CO-ADD:0229298,6.35,C(=C/c(cc1)ccc1O)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
29764,CO-ADD:0227453,6.35,C1=C(C)\C(\CCC1C(C)=C)=N/NC(CNc2cccc(Br)c2)=O,0.0
29765,CO-ADD:0227246,6.35,C(CNc1cccc(Br)c1)(=O)N\N=C(/C2)\CCCC2,0.0
29766,CO-ADD:0231223,6.35,C(=O)(N\N=C(/C)\CC(=O)NC(C)C)C(=O)Nc(cc1)ccc1CC,0.0
29767,CO-ADD:0225763,6.35,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc(cc4)ccc4OCC)=O,0.0
29768,CO-ADD:0225779,6.35,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4ccccc4OC)=O,0.0
29769,CO-ADD:0225787,6.35,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4ccccc4C(OC)=O)=O,0.0
29770,CO-ADD:0219024,6.35,[N+](=O)([O-])c1ccc(cc1)\C=N/c(cc2)ccc2Oc(cc3)ccc3C(C)(C)c4ccc(cc4)Oc(cc5)ccc5\N=C/c(cc6)ccc6[N+](=O)[O-],0.0
29771,CO-ADD:0222477,6.35,N(CC1)(CCO1)c2ccc(cc2)\C=N\Nc3cccc(C)c3,0.0
29772,CO-ADD:0222828,6.35,C(=O)(C(NCCCCCCCCC)=O)Nc1ccccc1OCC,0.0
29773,CO-ADD:0222402,6.35,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(=O)c(ccc(n3)C)c3,0.0
29774,CO-ADD:0219564,6.35,S(=O)(=O)(c1ccc(cc1)I)NC(C(C)C)C(NCCC)=O,0.0
29775,CO-ADD:0222617,6.35,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(cc3)ccc3Br)n2)N4CCCCC4.Br,0.0
29776,CO-ADD:0222122,6.35,C(/C(=O)c1ccc(cc1)N)=C\c2ccc(cc2Cl)Cl,0.0
29777,CO-ADD:0220313,6.35,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2\C=N\NC(CNc3cccc(C)c3)=O)Br,0.0
29778,CO-ADD:0220201,6.35,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c3ccccc3Cl,0.0
29779,CO-ADD:0220222,6.35,C(F)(F)(C(F)(F)C(F)F)C(F)(F)C(=O)NC(CCCC)C(=O)[O-].[Na+],0.0
29780,CO-ADD:0222345,6.35,c1(N(CC2)CCO2)nc(N\N=C\c3cccc(OC)c3)nc(Nc4cccc(cccc5)c45)n1,0.0
29781,CO-ADD:0221803,6.35,C(=N/N=C\c1c(O)ccc(cccc2)c12)(/Sc(c34)cccc3)\N4CCCS(=O)(=O)[O-].[Na+],0.0
29782,CO-ADD:0219649,6.35,C(=O)(N\N=C\c(ccc(c1OC)O)c1)C(=O)Nc2ccc(cc2C)Cl,0.0
29783,CO-ADD:0220281,6.35,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(CNc(cc3)ccc3C)=O,0.0
29784,CO-ADD:0220226,6.35,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc2ccc(cc2Br)Cl)=O,0.0
29785,CO-ADD:0220041,6.35,C1(NC(=O)c2ccc(cc2)Br)=C(C)N(N(c3ccccc3)C1=O)C,0.0
29786,CO-ADD:0221204,6.35,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CSc2ccc(c3n2)cccc3)=O,0.0
29787,CO-ADD:0221195,6.34,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Nc3sccn3,0.0
29788,CO-ADD:0218147,6.34,C(=O)(C(=O)NCc1cccc(c1)CNC(=O)C(=O)Nc2ccc(cc2C)C)Nc3ccc(cc3C)C,0.0
29789,CO-ADD:0218646,6.34,C(=O)(\C=C\c(cc1)ccc1Br)N(CC2)CCO2,0.0
29790,CO-ADD:0218278,6.34,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCC(=O)Nc(cc2)ccc2I)=O,0.0
29791,CO-ADD:0218761,6.34,C(=O)(c1cccc(I)c1)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
29792,CO-ADD:0218732,6.34,C(=O)(C\C(\C)=N/NC(=O)c1cccc(Br)c1)Nc2ccccc2CC,0.0
29793,CO-ADD:0225267,6.34,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc(ccc(c3Cl)OC)c3)C2=O,0.0
29794,CO-ADD:0226640,6.34,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4OC,0.0
29795,CO-ADD:0226432,6.34,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCC(=O)Nc4ccc(cc4F)F,0.0
29796,CO-ADD:0225339,6.34,c12n(ccn(nc(c3ccc(cc3)F)c4)c14)c(nn2)SCC(=O)NCc(cc5)ccc5Cl,0.0
29797,CO-ADD:0227019,6.34,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc5ccccc5OCC,0.0
29798,CO-ADD:0166387,6.34,c1(cc(Cl)ccc1O)C(=O)N\N=C(/C)\CC(=O)N(C)c2ccccc2,0.0
29799,CO-ADD:0231642,6.34,c1(c(O)c(\C=N\Nc(n2)nc(nc2Nc(ccc(c3C)C)c3)Nc(cc4)ccc4[N+](=O)[O-])cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
29800,CO-ADD:0234111,6.34,N1(CN2CCCCCC2)c(cccc3)c3C(=O)C1=O,0.0
29801,CO-ADD:0233626,6.34,C12(CC3CC(CC(C3)C1)C2)C(=O)N4CCCCC4,0.0
29802,CO-ADD:0234700,6.34,c1(c(Br)cc(cc1\C=N\NC(COc2c(C)cccc2C)=O)Br)OC(c3ccccc3)=O,0.0
29803,CO-ADD:0236416,6.34,C(c1ccccc1)(=O)COC(CCCCCCCCC(=O)OCC(c2ccccc2)=O)=O,0.0
29804,CO-ADD:0233413,6.34,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c3cccc(I)c3,0.0
29805,CO-ADD:0233598,6.34,C12(C=Cc3c(ccc(cccc4)c34)O1)C(C)(C)c(c5N2C)cccc5,0.0
29806,CO-ADD:0234703,6.34,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
29807,CO-ADD:0236400,6.34,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(CNC(=O)c2cccc(C)c2)=O,0.0
29808,CO-ADD:0234176,6.34,n1c2c(oc1c3ccc(cc3)\N=C\c(ccc(c4Br)OC)c4)cccc2C,0.0
29809,CO-ADD:0234807,6.34,c1(c2ccc(OCC(=O)Oc(ccc(c34)OC(C=C3C)=O)c4)c1)OC(C=C2C)=O,0.0
29810,CO-ADD:0229753,6.34,C(F)(F)(F)C(=O)Nc(cc1)ccc1c(cn2)cnc2c(cc3)ccc3NC(=O)C(F)(F)F,0.0
29811,CO-ADD:0227917,6.34,S(=O)(=O)(N(CC1)CCO1)c2c(C)ccc(c2)c3nnc(c4ccc(cc4)Br)o3,0.0
29812,CO-ADD:0229911,6.34,c1(NC(=O)c2ccc(cc2)Br)sc(c3c1C#N)CCCC3,0.0
29813,CO-ADD:0229469,6.34,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C/Nc3c(C)cccc3C,0.0
29814,CO-ADD:0229870,6.34,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c3ccc(cc3)C,0.0
29815,CO-ADD:0229329,6.34,N1(c2ccc(cc2)C)C(=O)CSC1c3ccc(cc3)C,0.0
29816,CO-ADD:0229401,6.34,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2OCC)N3CCCCC3,0.0
29817,CO-ADD:0221750,6.34,N1(CN(C)C2CCCCC2)c(cccc3)c3\C(=N\c(cc4)ccc4CCCC)\C1=O,0.0
29818,CO-ADD:0221502,6.34,N1(c2ccccc2OC)C(=O)c3c(cc(cc3)NC(C)=O)C1=O,0.0
29819,CO-ADD:0222306,6.34,n1c2c(oc1c3ccccc3)ccc(c2)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
29820,CO-ADD:0221475,6.34,S(=O)(=O)(N(CC1)CCO1)c2cccc3c2cccc3S(=O)(=O)N(CC4)CCO4,0.0
29821,CO-ADD:0225204,6.34,c12n(ccn(c(nn3)CCC(=O)NCc(cc4)ccc4C(F)(F)F)c13)nc(c5ccc(c(C)c5)C)c2,0.0
29822,CO-ADD:0226364,6.34,C1(=N2)N(C=CC(N3CCCCCC3)=N1)C(N2CC(=O)Nc4cccc(CC)c4)=O,0.0
29823,CO-ADD:0221921,6.34,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2c(Cl)ccc(c2)NC(CCCOc3ccc(cc3C(C)(C)CC)C(C)(C)CC)=O,0.0
29824,CO-ADD:0220452,6.34,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3ccccc3Cl,0.0
29825,CO-ADD:0222001,6.34,C(=C\c(cc1)ccc1\C=C\C(=O)c2cccc(c2)NC(CCC(O)=O)=O)/C(=O)c3cccc(c3)NC(CCC(O)=O)=O,0.0
29826,CO-ADD:0220805,6.34,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)OC(C)C,0.0
29827,CO-ADD:0221991,6.33,N(=C(/C)\c(cc1)ccc1N(C)C)/NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
29828,CO-ADD:0220584,6.33,C(=N/NC(CNc1ccccc1C)=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
29829,CO-ADD:0220636,6.33,C(=N\NC(COc1ccccc1OC)=O)(/c(cccc2C)c2N3)\C3=O,0.0
29830,CO-ADD:0220459,6.33,C(=N\NC(COc(ccc(c12)cccc1)c2)=O)(/c3c(N4C)cccc3)\C4=O,0.0
29831,CO-ADD:0220308,6.33,c1(\C=N\NC(CNc2cccc(C)c2)=O)c3c([nH]c1C)cccc3,0.0
29832,CO-ADD:0220477,6.33,[N+](=O)([O-])c(cc1)ccc1\C=C(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3ccccc3Cl,0.0
29833,CO-ADD:0219160,6.33,N(=C\c(cc1)ccc1Br)/NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
29834,CO-ADD:0221155,6.33,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCCCN(CC3)CCO3,0.0
29835,CO-ADD:0219315,6.33,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
29836,CO-ADD:0220986,6.33,n(Cc1ccccc1)(c2c(c3\C=N\NC(COc4cccc(Br)c4)=O)cccc2)c3C,0.0
29837,CO-ADD:0220999,6.33,c1(Br)c(O)c(\C=N\NC(COc2ccc(cc2OC)Br)=O)cc(Br)c1OC,0.0
29838,CO-ADD:0221007,6.33,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2OC,0.0
29839,CO-ADD:0220866,6.33,c1(ccc(cc1Cl)Cl)C(=O)Nc(cc2)ccc2C(=O)Nc3ccc(cc3C)Cl,0.0
29840,CO-ADD:0218188,6.33,C(=O)(c1ccccc1F)Oc2c(Br)cc(cc2Br)Br,0.0
29841,CO-ADD:0226636,6.33,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4ccccc4CC,0.0
29842,CO-ADD:0225619,6.33,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4c(F)ccc(F)c4)=O,0.0
29843,CO-ADD:0226715,6.33,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(Cc5ccccc5F)C1=O,0.0
29844,CO-ADD:0226763,6.33,N1(c(ccs2)c2C(N3CCc(ccc(c4OC)OC)c4)=O)C3=NN(Cc5c(cccc5Cl)F)C1=O,0.0
29845,CO-ADD:0214932,6.33,C(N(CCC)CCC)(=S)Oc(cc1)ccc1C(=O)Nc(cc2)ccc2Cl,0.0
29846,CO-ADD:0215636,6.33,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\c(cccc3[N+](=O)[O-])c3,0.0
29847,CO-ADD:0233404,6.33,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(Br)c3,0.0
29848,CO-ADD:0234748,6.33,C(=O)(Oc1cccc(c1)\C=N\NC(CNc2ccccc2C)=O)c3ccccc3Cl,0.0
29849,CO-ADD:0229786,6.33,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccccc5)C(C)=O,0.0
29850,CO-ADD:0229042,6.33,C(NC(C)=O)(NC(C)=O)NC(C)=O,0.0
29851,CO-ADD:0229501,6.33,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\Nc3cc(C)ccc3C,0.0
29852,CO-ADD:0234794,6.33,C(n(c1)ncn1)(C2c3ccc(cc3)Br)=C(c4ccccc4)OC(N)=C2C#N,0.0
29853,CO-ADD:0236287,6.33,c1(oc(c2n1)ccc(c2)NC(=O)c3ccc(cc3)F)c4cccc(Cl)c4Cl,0.0
29854,CO-ADD:0234494,6.33,c(cc(cc1)NC(CC(C)(C)CC2=O)=C2)(Cc(c34)cccc3)c14,0.0
29855,CO-ADD:0234624,6.33,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c(ccc(c3Cl)F)c3,0.0
29856,CO-ADD:0233660,6.33,S(O)(=O)(=O)c1cccc(N)c1.O,0.0
29857,CO-ADD:0233606,6.33,N1(C)CC(C)CC(O)C1.Br,0.0
29858,CO-ADD:0229342,6.33,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C(/CCC2)\C2)c3c(C)ccc(Cl)c3,0.0
29859,CO-ADD:0229167,6.33,n1c(COC(=O)C(CC(C)C)NC(c2ccccc2)=O)c(oc1c3ccccc3)COC(=O)C(CC(C)C)NC(c4ccccc4)=O,0.0
29860,CO-ADD:0231326,6.33,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc3cccc(OC)c3,0.0
29861,CO-ADD:0227580,6.33,c1(c(Br)cc(cc1\C=N/NC(COc2cccc(Cl)c2)=O)Br)OC(=O)c3cccc(C)c3,0.0
29862,CO-ADD:0231251,6.33,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3Br)c1,0.0
29863,CO-ADD:0225220,6.33,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc4ccccc4)C2=O,0.0
29864,CO-ADD:0226271,6.33,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(cc2)F)c(ccc3n4c(C)nn3)c4,0.0
29865,CO-ADD:0226298,6.33,S(=O)(=O)(N(Cc1ccccc1)c2ccc(cc2)Cl)c(ccc3n4c(C)nn3)c4,0.0
29866,CO-ADD:0221520,6.33,N1(c2ccccc2C(O)=O)C(=O)c3c(c(c4)C1=O)c(ccc3)c(c4[N+](=O)[O-])Br,0.0
29867,CO-ADD:0222513,6.33,C(=N\NC(CNC(=O)c1ccc(c(OC)c1)OC)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
29868,CO-ADD:0222784,6.33,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c2c3c(cccc3)cc(cccc4)c24,0.0
29869,CO-ADD:0221807,6.33,C(Cl)(Cl)(Cl)C(c1ccc(cc1)C)c2ccc(cc2)OCC,0.0
29870,CO-ADD:0220133,6.33,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)c2ccc(cc2)OCCCCCC,0.0
29871,CO-ADD:0220129,6.33,C(COc1cccc(Br)c1)(=O)N\N=C\c2ccccc2OCCCCCC,0.0
29872,CO-ADD:0220091,6.33,N(CCN1c2cccc(C)c2)(c3cccc(C)c3)C1c(cc4)ccc4[N+](=O)[O-],0.0
29873,CO-ADD:0221004,6.33,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2cccs2,0.0
29874,CO-ADD:0220849,6.33,c(c(Br)c1Br)c(NCC(=O)N\N=C\C(\C)=C\c(cc2)ccc2C(C)C)c(c1)Br,0.0
29875,CO-ADD:0220542,6.33,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(=O)\C(=C\c3ccccc3O)\NC(c4ccccc4)=O,0.0
29876,CO-ADD:0222708,6.33,C(=O)(C(=O)NCC(C)C)Nc1ccccc1F,0.0
29877,CO-ADD:0222694,6.33,C(=O)(c1cccc(cccc2)c12)Nc3ccc(cc3C)Br,0.0
29878,CO-ADD:0219750,6.33,N(=C(/C)\c1ccc(cc1)Br)/NC(CSCc2cccc(Cl)c2)=O,0.0
29879,CO-ADD:0218580,6.33,C(COc1cccc(Br)c1)(=O)N\N=C\c2cccc(OC)c2OC,0.0
29880,CO-ADD:0218060,6.33,N1(CCc(cccc2)c12)C(CCC3CCCC3)=O,0.0
29881,CO-ADD:0218092,6.33,C1(C(OC)=O)=Cc(c2)c(OC1=O)ccc2[N+](=O)[O-],0.0
29882,CO-ADD:0218100,6.33,C12=C(c3c(cccc3)CC14CCCC4)NC(=S)NC2=O,0.0
29883,CO-ADD:0218184,6.33,[N+](=O)([O-])\C=C\N(C)c1ccccc1,0.0
29884,CO-ADD:0218056,6.33,C(/C#N)(=C\c(ccc(c12)OCO1)c2)\C(=O)Nc(ccc(c3C)C)c3,0.0
29885,CO-ADD:0226645,6.33,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4c(OC)ccc(Cl)c4,0.0
29886,CO-ADD:0225921,6.33,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc(cc4)ccc4C#N)C2=O,0.0
29887,CO-ADD:0225281,6.32,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc3ccc(c(OC)c3)OC)C2=O,0.0
29888,CO-ADD:0226638,6.32,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(N)=O,0.0
29889,CO-ADD:0226662,6.32,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc(ccc(c45)OCCO4)c5,0.0
29890,CO-ADD:0166754,6.32,c1(ccc(C)o1)C(c2ccc(cc2)Br)c3ccc(C)o3,0.0
29891,CO-ADD:0166120,6.32,C(=O)(NCC(=O)N\N=C\c1cc(OC)ccc1O)c2ccc(c(OC)c2)OC,0.0
29892,CO-ADD:0166090,6.32,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
29893,CO-ADD:0166710,6.32,C(C#N)(C1c(cc2)ccc2C(C)C)=C(N)OC(CCCC3=O)=C13,0.0
29894,CO-ADD:0234750,6.32,C(=N\c1ccccc1)(/SC(C2=O)CC(=O)Nc3ccccc3C)\N2,0.0
29895,CO-ADD:0236468,6.32,C(F)(F)(F)C(=O)Nc(cccc1C(=O)Nc(c(Cl)ccc2C(F)(F)F)c2)c1,0.0
29896,CO-ADD:0235990,6.32,N1(Cc2ccccc2)C(=O)C(C(C34)C1=O)C(c(c35)cccc5)C=C4Cl,0.0
29897,CO-ADD:0233497,6.32,C(=O)(Oc1ccc(cc1\C=N\NC(COc2ccc(cc2Br)Cl)=O)Br)c3ccccc3Cl,0.0
29898,CO-ADD:0233148,6.32,c1(ccccc1NCC(O)=O)C(O)=O,0.0
29899,CO-ADD:0231648,6.32,c1([nH]c(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c4ccc(cc4Cl)Cl,0.0
29900,CO-ADD:0229063,6.32,C(=O)(c1ccc(cc1)F)Nc(cccc2C(=O)N\N=C\c(cc(Cl)cc3Cl)c3OC)c2,0.0
29901,CO-ADD:0233687,6.32,[P+](c1ccccc1)(c2ccccc2)(c3ccccc3)CC(=O)c4ccc(cc4)N.[Cl-],0.0
29902,CO-ADD:0234339,6.32,c12n(c3c(cccc3)s1)cc(c4ccc(cc4)I)n2,0.0
29903,CO-ADD:0227210,6.32,c1(c(O)c(\C=N\c2cc(CC)ccc2O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
29904,CO-ADD:0227306,6.32,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O)Br,0.0
29905,CO-ADD:0227307,6.32,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)O,0.0
29906,CO-ADD:0227273,6.32,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)ccc3C)=O,0.0
29907,CO-ADD:0229689,6.32,c1(NCC(=O)N\N=C\c(ccc(c2OC)O)c2)c(Br)cc(cc1Br)Cl,0.0
29908,CO-ADD:0231254,6.32,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc(ccc(c3Cl)C)c3,0.0
29909,CO-ADD:0221762,6.32,C(=O)(c1ccc(cc1)I)NCc2ccccc2F,0.0
29910,CO-ADD:0221423,6.32,C1(C(=O)N\N=C(/CCC)\c2ccccc2)CC1c3ccccc3,0.0
29911,CO-ADD:0219025,6.32,N(/c(cc1)ccc1Cc(cc2)ccc2\N=C\c(cc3)ccc3OCC)=C\c(cc4)ccc4OCC,0.0
29912,CO-ADD:0222799,6.32,N(\C(=C\c(cc1)ccc1OC(=O)c2ccccc2Br)\C(O3)=O)=C3c4ccccc4,0.0
29913,CO-ADD:0220036,6.32,C(/C1)(=C\c(cc2)ccc2OC)\c(cc3)c(c1ccc4)c4c3[N+](=O)[O-],0.0
29914,CO-ADD:0220623,6.32,c1(Br)c(C)oc(\C=N\NC(COc2c(Br)cc(cc2Br)C)=O)c1,0.0
29915,CO-ADD:0220619,6.32,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(=O)\C(\NC(c3ccccc3)=O)=C/c4cccs4,0.0
29916,CO-ADD:0220569,6.32,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(CNc3ccccc3C)=O)o2)c1,0.0
29917,CO-ADD:0222118,6.32,C(=O)(C(NCCc(ccc(c1OC)OC)c1)=O)Nc2ccccc2F,0.0
29918,CO-ADD:0219330,6.32,[N+](=O)([O-])c1ccc(cc1)\N=C\c(cc(I)cc2I)c2O,0.0
29919,CO-ADD:0219374,6.32,c1(\C=N\NC(CCC(=O)Nc2cccc(Cl)c2)=O)cc(OC)ccc1OC,0.0
29920,CO-ADD:0219214,6.32,C(COc(cc1)ccc1CCCCC)(=O)N\N=C\c2ccccc2OC,0.0
29921,CO-ADD:0222733,6.32,S(C)(=O)(=O)Nc1ccc(cn1)Br,0.0
29922,CO-ADD:0220517,6.31,[N+](=O)([O-])c(cc1)cc(c1N(C)C2CCCCC2)\C=N\NC(COc(ccc(c34)cccc3)c4)=O,0.0
29923,CO-ADD:0219131,6.31,C(=O)(N\N=C\c(cc1)ccc1I)C(=O)Nc2cccc(F)c2,0.0
29924,CO-ADD:0220900,6.31,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)C2c3c(c(cccc4)c24)cccc3,0.0
29925,CO-ADD:0220369,6.31,N(=C(/C)\c1ccc(c2c1)cccc2)/NC(CNc3cccc(C)c3)=O,0.0
29926,CO-ADD:0222204,6.31,c1(c2ccc(c3c2)cccc3)oc4c(ccc(c4)\N=C\c(cc5)ccc5[N+](=O)[O-])n1,0.0
29927,CO-ADD:0221896,6.31,C(=O)(C(NCCc(cc1)ccc1F)=O)Nc2ccccc2OCC,0.0
29928,CO-ADD:0218656,6.31,C(=O)(N\N=C(/C)\CC(=O)Nc1ccc(cc1Cl)Cl)C(=O)NC2CCCCC2,0.0
29929,CO-ADD:0218080,6.31,C(=N\NC(COc1c(Br)cc(cc1Br)OC)=O)(/c2c(N3)ccc(C)c2)\C3=O,0.0
29930,CO-ADD:0218680,6.31,C(=O)(N\N=C\c1cc(Br)ccc1O)C(=O)Nc2ccccc2Cl,0.0
29931,CO-ADD:0218651,6.31,C(=O)(Nc(cc1)ccc1F)C\C(\C)=N\NC(=O)c2ccc(cc2)I,0.0
29932,CO-ADD:0218156,6.31,c1(SCC(=O)Nc2ccccc2F)[nH]c(c3n1)cccc3,0.0
29933,CO-ADD:0218298,6.31,S(=O)(=O)(c1ccc(cc1)NC(=O)c(cccc2[N+](=O)[O-])c2)Nc3sccn3,0.0
29934,CO-ADD:0225334,6.31,c12n(ccn(nc(c3ccc(cc3)F)c4)c14)c(nn2)SCC(=O)Nc(cc5)ccc5C#N,0.0
29935,CO-ADD:0225327,6.31,c12n(ccn(nc(c3cc(C)ccc3C)c4)c14)c(nn2)SCC(=O)NCc5cccc(OC)c5OC,0.0
29936,CO-ADD:0225575,6.31,N12C(C=CC(Sc(cc3)ccc3C)=N1)=NN(CC(=O)Nc4c(OC)cc(c(Cl)c4)OC)C2=O,0.0
29937,CO-ADD:0225599,6.31,C1(=NN(C2=O)Cc(cccc3C(F)(F)F)c3)N2C=CC=C1S(=O)(=O)N4CCCCCC4,0.0
29938,CO-ADD:0234870,6.31,C(=O)(Oc1cccc(c1)\C=N\NC(COc(ccc(c2C)C)c2)=O)c3cccc(Br)c3,0.0
29939,CO-ADD:0234917,6.31,c1(N(CC2)CCO2)nc(N\N=C\c3c(cccc3Cl)Cl)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
29940,CO-ADD:0234740,6.31,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(ccc(c2C)C)c2)=O)c3ccccc3Cl,0.0
29941,CO-ADD:0231574,6.31,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4cccc(Cl)c4,0.0
29942,CO-ADD:0233308,6.31,c1([P+](c2ccccc2)(c3ccccc3)c4ccccc4)nc(oc1N(CC5)CCO5)CN(CC6)CCO6.[I-],0.0
29943,CO-ADD:0234092,6.31,c12c(non1)nc(Nc(cc3)ccc3Br)c(N\N=C\c(c(Cl)ccc4[N+](=O)[O-])c4)n2,0.0
29944,CO-ADD:0234150,6.31,C(=O)(Oc1cccc(c1)\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c3cccc(Br)c3,0.0
29945,CO-ADD:0236105,6.31,c1(OC)c(OC)cc(cc1OC)\C=N\NC(=O)c2ccccc2C,0.0
29946,CO-ADD:0236057,6.31,c1(\C=N\c(cc2)ccc2NC(C)=O)sccc1C,0.0
29947,CO-ADD:0233335,6.31,C(C)(c1ccc(cc1)OCCCC)(CC(O)=O)C(O)=O,0.0
29948,CO-ADD:0236023,6.31,c12c(nnc(SCC(=O)Nc3ccc(cn3)Br)n1)c4c(cccc4)n2CC,0.0
29949,CO-ADD:0236312,6.31,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
29950,CO-ADD:0229707,6.31,C(CNc1ccccc1OC)(=O)N\N=C\c2ccccc2,0.0
29951,CO-ADD:0229701,6.31,c1(NCC(=O)N\N=C/c(cc2)ccc2F)c(Br)cc(cc1Br)Cl,0.0
29952,CO-ADD:0227570,6.31,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(COc2cccc(C)c2)=O,0.0
29953,CO-ADD:0229705,6.31,c1(NCC(=O)N\N=C(/C)\CC(C)C)c(Br)cc(cc1Br)Br,0.0
29954,CO-ADD:0227873,6.31,S(=O)(=O)(NCC(=O)NCC(=O)n1c(C)cc(C)n1)c2ccccc2[N+](=O)[O-],0.0
29955,CO-ADD:0227835,6.31,n1(c2c(C)cccc2C)nnnc1C3(CCCC3)Nc(cc4)ccc4I,0.0
29956,CO-ADD:0221979,6.31,c1(cc(Br)cc(\C=N\c(ccc(c23)oc(c4cccc(F)c4)n2)c3)c1O)[N+](=O)[O-],0.0
29957,CO-ADD:0218988,6.31,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3\N=C\c(cc4)ccc4OC(c5ccccc5)=O,0.0
29958,CO-ADD:0221555,6.31,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc4ccccc4,0.0
29959,CO-ADD:0221317,6.31,C(=O)(C(C(C)C)NC(=O)C(CSC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(N)CC(=O)OC(C)(C)C)NC(Cc(c4c([nH]5)cccc4)c5)C(OC)=O,0.0
29960,CO-ADD:0222192,6.31,c1(c2cccc(Br)c2)oc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
29961,CO-ADD:0221494,6.31,C(=O)(c(cc1)ccc1C(=O)N2CCCCC2)N3CCCCC3,0.0
29962,CO-ADD:0220097,6.31,c1(c2ccc(cc2)NC(=O)c3cccc(Br)c3)sc4c(ccc(C)c4)n1,0.0
29963,CO-ADD:0220092,6.31,C1(c2ccc(cc2)Cl)N(c3ccccc3)CCN1c4ccccc4,0.0
29964,CO-ADD:0220595,6.31,c1(c(Br)cc(cc1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)Br)OC(=O)c3cccc(C)c3,0.0
29965,CO-ADD:0219519,6.31,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c(ccc(c2I)O)c2,0.0
29966,CO-ADD:0219485,6.31,C(=O)(N\N=C\C=C(/O)\c1ccc(cc1)C)c2ccc(cc2)OC,0.0
29967,CO-ADD:0222571,6.31,P(c1ccccc1)(c2ccccc2)(=O)CCN3CCOC3c(cccn4)c4,0.0
29968,CO-ADD:0220629,6.31,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\C(\C)=C\c3ccccc3,0.0
29969,CO-ADD:0222066,6.31,c(C1CCC2)(c23)n(CCN1[N+](=O)[O-])c(c34)ccc(C5CCCCC5)c4,0.0
29970,CO-ADD:0219789,6.31,N(=C\c(cc1)ccc1C)/NC(CCCc(cc2)ccc2OC)=O,0.0
29971,CO-ADD:0219782,6.3,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c2cc(Br)ccc2OCCC)c1,0.0
29972,CO-ADD:0219514,6.3,C(/C(NN)=O)(\C(NN)=O)=C\CC(C)C,0.0
29973,CO-ADD:0219323,6.3,C(C#N)(C1c2ccc(cc2)Br)=C(N)Oc(cc(O)c(\C=N\c(cc3)ccc3Br)c4)c14,0.0
29974,CO-ADD:0221877,6.3,C(=O)(Nc1ccc(cn1)C)c2ccccc2Br,0.0
29975,CO-ADD:0222412,6.3,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(cc3)ccc3N(CCC)CCC,0.0
29976,CO-ADD:0218529,6.3,c1(OCC(=O)Nc(cc2)ccc2Br)c(C)cc(cc1C)C,0.0
29977,CO-ADD:0218545,6.3,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3cccc(cccc4)c34,0.0
29978,CO-ADD:0217974,6.3,C(=O)(c1cccc(F)c1)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3C,0.0
29979,CO-ADD:0225592,6.3,N12C(=NN(CC(=O)Nc(cc(C)cc3C)c3)C1=O)N(C(=O)c(n(cc4c5ccccc5)C)c24)C,0.0
29980,CO-ADD:0226768,6.3,C1(=NN(C2=O)CC(=O)NC3CCCCC3)N2c4c(ccc(c4)C(=O)NC5CCCC5)C(=O)N1CC(C)C,0.0
29981,CO-ADD:0166747,6.3,S(=O)(=O)(c1ccc(cc1)N\C=C(/C(C)=NN2c3ccc(cc3)C)\C2=O)N4CCCCC4,0.0
29982,CO-ADD:0166458,6.3,[N+](=O)([O-])c1cccc(c1)\C=N/NC(=O)C(=O)NC(C)c2ccccc2,0.0
29983,CO-ADD:0215481,6.3,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c2cccc(OC)c2OC,0.0
29984,CO-ADD:0215288,6.3,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\c(cc3)ccc3OC)o2)Cl)c1,0.0
29985,CO-ADD:0215344,6.3,c1(C#N)c(c2ccc(cc2)Cl)c3c(nc1SCC(OCc4ccccc4)=O)CCCC3,0.0
29986,CO-ADD:0236530,6.3,N(=C\c(cc1)ccc1F)/NC(CCCC(=O)Nc(cc2)ccc2I)=O,0.0
29987,CO-ADD:0234203,6.3,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(ccc(c2Br)OC)c2,0.0
29988,CO-ADD:0234194,6.3,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(COc(ccc(c2C)C)c2)=O)C(C)(C)C,0.0
29989,CO-ADD:0234175,6.3,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5ccccc5Br)OC,0.0
29990,CO-ADD:0236525,6.3,c(\C=N\NC(=O)Nc1ccccc1)(cc(I)cc2I)c2OC,0.0
29991,CO-ADD:0236900,6.3,C(NCCOc(cc1)ccc1F)(=O)\C=C\c(cc2)ccc2c3ccccc3,0.0
29992,CO-ADD:0233475,6.3,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(=O)\C(=C/c(cc3)ccc3N(CC)CC)\NC(c4ccccc4)=O,0.0
29993,CO-ADD:0236418,6.3,c1(SCC(c2ccccc2)=O)oc(c3n1)cccc3.Br,0.0
29994,CO-ADD:0231662,6.3,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c2ccc(cc2O)Cc(cc3)cc(c3\N=C\c(ccc(c4[N+](=O)[O-])Br)c4)O,0.0
29995,CO-ADD:0234681,6.3,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cccc2OC(=O)c3cccc(Br)c3)c2,0.0
29996,CO-ADD:0234258,6.3,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c3ccccc3Br,0.0
29997,CO-ADD:0233583,6.3,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)C2COc(c3O2)cccc3)c4ccccc4Br,0.0
29998,CO-ADD:0227338,6.3,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(ccc(c3OC)OC)c3,0.0
29999,CO-ADD:0227869,6.3,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2C(OC)=O)\C(N1c3ccc(c(C)c3)C)=O,0.0
30000,CO-ADD:0228012,6.3,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N/NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O,0.0
30001,CO-ADD:0227201,6.3,[N+](=O)([O-])c1ccccc1C(=O)Nc2cc(ccc2C(O)=O)[N+](=O)[O-],0.0
30002,CO-ADD:0227221,6.3,c(c(Br)c1Br)c(NCC(=O)N\N=C\C=C\c2ccccc2)c(c1)Br,0.0
30003,CO-ADD:0231206,6.3,N(=C\c(cc1)ccc1Br)/NC(CCCc(ccc(c2C)OC)c2)=O,0.0
30004,CO-ADD:0225813,6.3,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4cccc(Cl)c4)=O,0.0
30005,CO-ADD:0226189,6.3,S(=O)(=O)(N(Cc1cccc(C)c1)c2ccc(cc2)Cl)c3cccn(c(nn4)C)c34,0.0
30006,CO-ADD:0225421,6.3,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(cc5)ccc5OC)=O,0.0
30007,CO-ADD:0225806,6.3,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4ccccc4CC)=O,0.0
30008,CO-ADD:0225392,6.3,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)NCc(cc5)ccc5C,0.0
30009,CO-ADD:0221299,6.3,c1(C(O)=O)c(CC)sc(SCC)c1C=O,0.0
30010,CO-ADD:0222117,6.3,C(CCCCCCCCCCCCCCCCC)(=O)Nc(cc1)ccc1Cc(cc2)ccn2,0.0
30011,CO-ADD:0220690,6.3,C(=N/N=C/c1c(O)ccc(cccc2)c12)(/C3=O)\c4c(N3)ccc(c4)[N+](=O)[O-],0.0
30012,CO-ADD:0221698,6.3,C(c1ccccc1)(c2ccccc2)(c3ccccc3)NC(=O)Nc4ccc(c(OC)c4)OC,0.0
30013,CO-ADD:0221037,6.3,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNc2c(Br)cc(c(Br)c2)Br)=O,0.0
30014,CO-ADD:0221459,6.3,C(=O)(N\N=C\c1cccc(I)c1)c2cccc(Br)c2,0.0
30015,CO-ADD:0222177,6.29,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(cc3)ccc3C,0.0
30016,CO-ADD:0222245,6.29,c1(c(Br)cc(cc1\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)Br)OC(=O)c4cccc(C)c4,0.0
30017,CO-ADD:0222672,6.29,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)N\N=C\c4ccccc4O,0.0
30018,CO-ADD:0222836,6.29,N(C(c1ccccc1)C(=O)N\N=C\c(cc2)ccc2OC)C(c3ccccc3)=O,0.0
30019,CO-ADD:0222816,6.29,C(/C(OCC)=O)(\C(OCC)=O)=C/Nc(ccc(c1Cl)C)c1,0.0
30020,CO-ADD:0220742,6.29,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3c(Br)cc(cc3Br)C)=O,0.0
30021,CO-ADD:0219482,6.29,C(=O)(N\N=C\c1ccc(cc1OC)OC)C(=O)Nc2ccc(cc2C)Cl,0.0
30022,CO-ADD:0219718,6.29,C(=O)(N\N=C\c1ccccc1OCCCC)c2ccc(cc2)OCc(cc3)ccc3Br,0.0
30023,CO-ADD:0219151,6.29,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc3ccccc3Cl)Nc4ccccc4Cl,0.0
30024,CO-ADD:0219241,6.29,c(cc(I)cc1I)(\C=N\c2ccccc2OC)c1O,0.0
30025,CO-ADD:0220321,6.29,c1(ccc(\C=N\NC(CNc2ccccc2C)=O)o1)[N+](=O)[O-],0.0
30026,CO-ADD:0220493,6.29,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3ccc(cc3Br)C)=O,0.0
30027,CO-ADD:0226558,6.29,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)SCc4ccccc4C,0.0
30028,CO-ADD:0226014,6.29,C1(=N2)N(C=CN=C1N3CCCC(C)C3)C(N2CC(=O)Nc4cccc(SC)c4)=O,0.0
30029,CO-ADD:0218169,6.29,N(=C\c(cc1)ccc1OCCC)/NC(CCCCCCC(=O)N\N=C\c(cc2)ccc2OCCC)=O,0.0
30030,CO-ADD:0218264,6.29,n(c1c([nH]2)cccc1)c2CCCCC,0.0
30031,CO-ADD:0218368,6.29,c12c(non1)nc(N\N=C\c(cc3)ccc3Br)c(N\N=C/c(cc4)ccc4Br)n2,0.0
30032,CO-ADD:0166440,6.29,N1(CNc(cc2)ccc2OC)C(=O)\C(\SC1=O)=C\c(cc3)ccc3C(OC)=O,0.0
30033,CO-ADD:0166416,6.29,C(=O)(N\N=C\c1ccccc1)C(CO)NC(OCc2ccccc2)=O,0.0
30034,CO-ADD:0166722,6.29,C1(C2c3ccccc3)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
30035,CO-ADD:0166773,6.29,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc(cc4)ccc4C,0.0
30036,CO-ADD:0166725,6.29,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c3cccs3,0.0
30037,CO-ADD:0166689,6.29,C(C(OCC)=O)(C1c2ccc(cc2)SC)=C(CSc3nc(CC)c(cc3C#N)C)OC(N)=C1C#N,0.0
30038,CO-ADD:0215529,6.29,c1(c2ccc(cc2)Cl)nc(sc1c3ccccc3)N\N=C\c(ccc(c4OC)O)c4,0.0
30039,CO-ADD:0214897,6.29,N1(c2cccc(c2)C(O)=O)C(=O)c3c(c4C1=O)c(ccc3)c(cc4)Br,0.0
30040,CO-ADD:0214945,6.29,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C(/C)\c2cccc(I)c2,0.0
30041,CO-ADD:0215714,6.29,c1(NC(CC)=O)oc(c(c2ccccc2)c1C#N)c3ccccc3,0.0
30042,CO-ADD:0215354,6.29,C(C(=O)OC(C)C)(C1c2ccccc2)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
30043,CO-ADD:0215754,6.29,S1(=O)(=O)c(cccc2)c2C(NCCCCCCO)=N1,0.0
30044,CO-ADD:0231627,6.29,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c(cc(OCO4)c4c5)c5Br,0.0
30045,CO-ADD:0233305,6.29,S1(CCC(C1)OC(=O)Nc2cccc(cccc3)c23)(=O)=O,0.0
30046,CO-ADD:0236043,6.29,c1(SCC(=O)NC(C)c2ccccc2)nc(C)cc(C)n1,0.0
30047,CO-ADD:0236019,6.29,C(=C\c(cc1)cc(c1OC(C)=O)OC)(/C(NCC=C)=O)\NC(c2ccccc2)=O,0.0
30048,CO-ADD:0234984,6.29,C(=O)(Oc1ccccc1\C=N/NC(=O)c(ccc(n2)C)c2)c3ccco3,0.0
30049,CO-ADD:0236352,6.29,c1(nonc1N)N(Cc2ccccc2)N=Nc3nonc3N,0.0
30050,CO-ADD:0233654,6.29,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccco3,0.0
30051,CO-ADD:0233694,6.29,C(=O)(C(C)(C)N)N(CC1)CCC1c(o2)c(C)cn2.Cl,0.0
30052,CO-ADD:0234375,6.29,C1(c2c(cccc2)Oc(cccc3)c13)NC(=O)c4ccc(cc4)C,0.0
30053,CO-ADD:0236106,6.29,C1(CCCC2)C2C1C(=O)N\N=C\c(cc3OC)cc(c3OC)OC,0.0
30054,CO-ADD:0236050,6.29,C12(CCC1)CC2C(=O)N\N=C\c(cc3)ccc3Cl,0.0
30055,CO-ADD:0234276,6.29,C(=N\NC(CNC(=O)c1ccc(cc1)Cl)=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
30056,CO-ADD:0227901,6.29,n1c(c2ccc(cc2)Cl)csc1Nc3cccc(OC)c3.Br,0.0
30057,CO-ADD:0231342,6.29,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2Cl)CCSc(cc3)ccc3Cl,0.0
30058,CO-ADD:0227584,6.29,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N/NC(CNc3ccccc3C)=O,0.0
30059,CO-ADD:0227340,6.29,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3ccc(cc3OC)OC,0.0
30060,CO-ADD:0229719,6.29,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(COc3ccc(cc3Cl)Cl)=O,0.0
30062,CO-ADD:0226168,6.29,S(=O)(=O)(N(c1ccc(cc1)CC)Cc(cc2F)cc(c2)F)c3cccn(c(nn4)C)c34,0.0
30063,CO-ADD:0225769,6.28,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc(ccc(c4F)C)c4)=O,0.0
30064,CO-ADD:0225817,6.28,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc(ccc(c4Cl)F)c4)=O,0.0
30065,CO-ADD:0225422,6.28,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5ccccc5F)=O,0.0
30066,CO-ADD:0221583,6.28,N(OC(N1c2cccc(cccc3)c23)=O)(C1=O)C4C(C)(C)N(C(=O)N4c5cccc(cccc6)c56)C(C)CC,0.0
30067,CO-ADD:0221553,6.28,C1(NC(=O)c2ccc(cc2)N)=C(C)N(N(c3ccccc3)C1=O)C,0.0
30068,CO-ADD:0221366,6.28,c1(C(OCC)=O)c(C)n(c(ccc(OC(C)=O)c2S(c3ccccc3)(=O)=O)c12)C,0.0
30069,CO-ADD:0221244,6.28,C1(NC(=O)c(ccc(c2[N+](=O)[O-])C)c2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
30070,CO-ADD:0221684,6.28,N1(CN2CCCCC2)C(=O)\C(\SC1=O)=C/c3ccccc3Cl,0.0
30071,CO-ADD:0221340,6.28,C(=O)(C(NCCO)=O)Nc1ccccc1F,0.0
30073,CO-ADD:0155202,6.28,ClC(C=C(Cl)C=C1)=C1/C=N/NC2=NC(N3CCOCC3)=NC(NC4=CC(C)=CC=C4C)=N2,0.0
30074,CO-ADD:0155707,6.28,S=C(NC1=O)NC(C1=CNC2=CC=C(C=C2O)[N+]([O-])=O)=O,0.0
30075,CO-ADD:0156026,6.28,NC(N=C1O)=NC(O)=C1CC(C=C2)=CC=C2OC(C)C,0.0
30076,CO-ADD:0158450,6.28,O=C(NC1=CC=C(C=C1)C(N/N=C/C2=CC(OC)=C(C(OC)=C2)OC)=O)C(C=CC=C3)=C3Br,0.0
30077,CO-ADD:0158474,6.28,O=C1C(C(CC(C)(C)C1)=O)=CNNC(C2=CC=CC=C2O)=O,0.0
30078,CO-ADD:0158498,6.28,[O-][N+](C1=CC=C(C(/C=N\NC(CNC2=C(C)C=C(C)C=C2)=O)=C1)N3CCOCC3)=O,0.0
30079,CO-ADD:0155403,6.28,O=C(NC1CCCCC1)C2=CC=CC=C2NC(C3=CC=CC=C3)=O,0.0
30080,CO-ADD:0158599,6.28,O=S(NC1=CC=CC2=CC=CC=C12)(C(C=C3)=CC=C3OC4=CC=CC=C4)=O,0.0
30081,CO-ADD:0155492,6.28,OC1=CC(O)=CC=C1/C=N/NC2=NC(NC3=CC=C4C=CC=CC4=C3)=NC(N5CCOCC5)=N2,0.0
30082,CO-ADD:0154961,6.28,ClC(Cl)(Cl)CC1=C(C)N=C(NC2=CC=CC=C2)S1,0.0
30083,CO-ADD:0154983,6.28,N#CC([C@@H](C1=CC(Cl)=C(Cl)C=C1)[C@@H]2C(C3(C[C@H]4C5)C[C@H]5C[C@H](C4)C3)=O)(C#N)C6N2C=CC7=C6C=CC=C7,0.0
30084,CO-ADD:0156425,6.28,O=C(NC1=CC=CC=C1)C2=C(C3=CC=CC=C3)OC(C)=C2,0.0
30085,CO-ADD:0155153,6.28,N#CC1(C#N)[C@]2([H])N([C@H](C(C3=CC=C(C)C=C3)=O)[C@H]1C(C=C4)=CC=C4F)C(C=CC=C5)=C5C=C2,0.0
30086,CO-ADD:0155178,6.28,O=C1C2=CC(CC3=CC=C4N=C(OC(C4=C3)=O)C5=CC=CC=C5)=CC=C2N=C(C6=CC=CC=C6)O1,0.0
30087,CO-ADD:0155861,6.28,O=C(C1=CC(C2=O)=C3C(N2C4=CC=CC(C)=C4)=O)N(C5=CC(C)=CC=C5)C(C1=C3)=O,0.0
30088,CO-ADD:0155653,6.28,O=C(C1=CC(C(O)=O)=CC=C21)N(C(C=C3)=CC=C3C(OCCCCCCCCCC)=O)C2=O,0.0
30089,CO-ADD:0215847,6.28,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cccc(c4)Oc(ccc(c5C6=O)C(O6)=O)c5,0.0
30090,CO-ADD:0215208,6.28,C1([N+](=O)[O-])=C(O)N=C(\C=C\c2ccccc2O)NC1=O,0.0
30091,CO-ADD:0215240,6.28,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3F,0.0
30092,CO-ADD:0215064,6.28,C(/C(OCC)=O)(\C(OCC)=O)=C/Nc1c(OC)ccc(OC)c1,0.0
30093,CO-ADD:0215177,6.28,N1(c(cc2)ccc2C(=O)OCC(C)C)C(=O)c(c3C1=O)ccc(C(OC)=O)c3,0.0
30095,CO-ADD:0157081,6.28,N#CC1=C(SCC(C(C=C2)=CC=C2C)=O)N=C(CC)C(C)=C1,0.0
30096,CO-ADD:0157596,6.28,O=C(OC(C)(C)C)NC(CC(C=C1)=CC=C1OCC2=CC=CC=C2)C(OCC(C3=CC=CC=C3)=O)=O,0.0
30097,CO-ADD:0157508,6.28,[O-][N+](C1=CC(C(N/N=C/C2=C(Br)C=CC(OC)=C2)=O)=CC=C1)=O,0.0
30098,CO-ADD:0157516,6.28,[O-][N+](C(C=C(OC)C=C1)=C1NC(C2(C[C@H]3C4)C[C@H]4C[C@H](C3)C2)=O)=O,0.0
30101,CO-ADD:0163574,6.28,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(COc2c(C)cccc2C)=O)Br,0.0
30102,CO-ADD:0163527,6.28,[N+](=O)([O-])c1ccc(cc1\C=N\NC(=O)c(ccc(c23)OCCO2)c3)O,0.0
30103,CO-ADD:0163535,6.28,C(=O)(Oc1cccc(c1)\C=N\NC(COc(cc2)ccc2C)=O)c3ccco3,0.0
30104,CO-ADD:0160014,6.28,O=C(OC1=C2C=CC=C1)N2C(C3=CC=C(Cl)C=C3)=O,0.0
30105,CO-ADD:0161343,6.28,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC(N)=O)c3cccs3,0.0
30106,CO-ADD:0161152,6.28,C(=N/NC(COc1ccccc1OC)=O)(/c(cc(Br)cc2C)c2N3C)\C3=O,0.0
30107,CO-ADD:0161536,6.28,c1(cc(Cl)cc(\C=N\c(ccc(c2OC)OC)c2)c1O)[N+](=O)[O-],0.0
30108,CO-ADD:0159779,6.27,[O-][N+](C1=CC(C(OC2=CC=C(C=C2)C3=NC(C=CC=C4)=C4N=C3)=O)=CC=C1)=O,0.0
30109,CO-ADD:0159803,6.27,ClC1=CC=C(Cl)C=C1N(C(C(C=C2)=CC=C2OC)C3)N=C3C(C=C4)=CC=C4OC,0.0
30110,CO-ADD:0154949,6.27,N#CC([C@H](C1=CC(OC)=CC=C1OC)[C@H]2C(C3=CC=CC=C3)=O)(C#N)[C@]4([H])N2C5=CC=CC=C5C=C4,0.0
30111,CO-ADD:0154813,6.27,O=C(NC(C=C1F)=C(Cl)C=C1F)N2CCN(CC3=CC=CC=C3)CC2,0.0
30112,CO-ADD:0154856,6.27,O=C1/C(N=C(C2=CC=C3OCOC3=C2)O1)=C/C4=CC=C(C)O4,0.0
30113,CO-ADD:0155174,6.27,O=C(OCC1=CC=CC=C1)NCC(NCCCC)=O,0.0
30114,CO-ADD:0155922,6.27,O=C(C1)N(C2=CC=CC=C2C)CC1C(NC3=CC=C(C(Cl)=C3)Cl)=O,0.0
30115,CO-ADD:0155754,6.27,[O-][N+](C1=C(C=CC=C1)C(NC2=CC=C(C=C2)C(NC3=CC=C(C=C3)C4=NC(C=C5)=C(C=C5NC(C(C=C6)=CC=C6NC(C(C=CC=C7)=C7[N+]([O-])=O)=O)=O)N4)=O)=O)=O,0.0
30116,CO-ADD:0155466,6.27,[O-][N+](C(C=C1)=CC=C1/C=C2C(N(N=C/2C)C(C=C3)=CC=C3C)=O)=O,0.0
30117,CO-ADD:0155867,6.27,O=C(C1=CC(C(NC(C=CC=C2)=C2O)=O)=CC=C31)N(C4=CC=CC=C4)C3=O,0.0
30118,CO-ADD:0155862,6.27,O=C(OCC1=CC=CC=C1)NC(CC2=CC=CC=C2)C(N)=O,0.0
30119,CO-ADD:0215185,6.27,C(F)(F)(C(F)(F)C(F)(F)F)C(OC(=O)Nc(cc1)ccc1OC(CC)=O)(C(F)(F)F)C(F)(F)F,0.0
30120,CO-ADD:0215193,6.27,C(CCC(=O)c1ccc(cc1)Cl)(=O)OCC(=O)c2ccc(cc2)Cl,0.0
30121,CO-ADD:0217707,6.27,N(=C(/C)\c1ccccc1)/NC(CSCc(cc2)ccc2Cl)=O,0.0
30122,CO-ADD:0215019,6.27,C(c1c(cccc1)CC23CCCCC2)(NC(c4ccccc4)=O)=C3C#N,0.0
30123,CO-ADD:0215059,6.27,N1(c2cccc(I)c2)C(=O)c(c3C1=O)ccc(C(=O)c(cc4)ccc4[N+](=O)[O-])c3,0.0
30124,CO-ADD:0217581,6.27,C(=O)(N\N=C\c(cc1)ccn1)c2ccc(cc2)OCC=C,0.0
30125,CO-ADD:0158232,6.27,O=C(N(C)C(N=C1S)=C(N1C)C2=O)N2C,0.0
30126,CO-ADD:0158256,6.27,[O-][N+](C(C=C1)=CC=C1C2=CC=C(/C=N/NC(C3=CC=CC=C3C)=O)O2)=O,0.0
30127,CO-ADD:0157217,6.27,O=C(C1=C2C=CC=C1)C(C(OC3=C(C)C(C)=C(C)C(C)=C3C)=CC=C4)=C4C2=O,0.0
30128,CO-ADD:0157025,6.27,N#CC1=C(SCC(C(C)(C)C)=O)N=C(C2=CC=CC=C2)C=C1C(C=C3)=CC=C3OC,0.0
30129,CO-ADD:0157233,6.27,CC(C)(C)C1=CC=C(C=C1)C2=NC(C=CC=C3)=C3S2,0.0
30130,CO-ADD:0157600,6.27,C1(SC2=NC=CC=C2)=CC=C(/C=N/C3=CC=C(C4=CC=CC=C4)C=C3)O1,0.0
30131,CO-ADD:0157904,6.27,[O-][N+](C1=CC(/C(C)=N/NC2=NC(C3=CC=C(O)C=C3)=CS2)=CC=C1OC)=O.Br,0.0
30132,CO-ADD:0159830,6.27,ClC1=CC=C(Cl)C=C1N(C(C2=CC=C(Cl)C=C2)C3)N=C3C(C=C4)=CC=C4OC,0.0
30133,CO-ADD:0160006,6.27,O=C1SC(C=C2OC(OCCCl)=O)=C(C=C2Cl)O1,0.0
30134,CO-ADD:0160099,6.27,O=S(C1=CC=CC(C(NC2=CC(C(O)=O)=CC=C2)=O)=C1)(N(CCCC)CCCC)=O,0.0
30135,CO-ADD:0160364,6.27,[O-][N+](C(C=C1)=CC=C1/C=N/NC2=NC(NCC3=CC=CC=C3)=NC(N(C)C)=N2)=O,0.0
30136,CO-ADD:0159972,6.27,O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)/C=C/C(O)=O,0.0
30137,CO-ADD:0160509,6.27,O=C1N(C2=CC=CC(OC3=CC=CC=C3)=C2)C(C4C5C6=C(C=CC=C6)C(C7=C5C=CC=C7)C14)=O,0.0
30138,CO-ADD:0154864,6.27,[O-][N+](C1=CC=C(Cl)C(C(OC/2=O)=NC2=C/C3=CC=CC(Cl)=C3)=C1)=O,0.0
30139,CO-ADD:0154853,6.27,O=C1N(C2=CC=C(O)C=C2)C(C3C(C4=CC=CC=C4)C=CC(C5=CC=CC=C5)C13)=O,0.0
30140,CO-ADD:0155423,6.27,S=C(OC1=CC=C(C=C1)C(NC2=CC=CC3=C2C=CC=C3)=O)N(CC(C)C)CC(C)C,0.0
30141,CO-ADD:0155846,6.27,FC(F)(F)C1=C(C2=CC=C(Cl)C=C2)SC(NC3=CC=C(C4=CC=CC=C4)C=C3)=N1,0.0
30142,CO-ADD:0163930,6.27,c1(ccccc1SCc(cc2)ccc2F)C(NCCOc3ccccc3F)=O,0.0
30143,CO-ADD:0163919,6.27,C1(C2=O)C(C(C=C3)OC13CNC(=O)c(cc4)ccc4C(C)(C)C)C(N2c5ccc(cc5)Cl)=O,0.0
30144,CO-ADD:0163357,6.27,c1(\C=N\NC(COc2ccc(cc2Br)OC)=O)c(O)ccc(cccc3)c13,0.0
30145,CO-ADD:0163757,6.27,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3c4ccc(cc4)\N=C\c(cc5)ccc5OC(=O)c(cc(cc6[N+](=O)[O-])[N+](=O)[O-])c6)c1,0.0
30146,CO-ADD:0215652,6.26,N1(c2ccccc2)CC(CC1=O)C(=O)Nc3ccccc3F,0.0
30147,CO-ADD:0215015,6.26,C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)([N+](=O)[O-])c(nc(NC)nc1C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])n1,0.0
30148,CO-ADD:0217719,6.26,C(=O)(N\N=C/c1ccc(cc1OC)OC)c2ccc(cc2)NC(CC)=O,0.0
30149,CO-ADD:0215033,6.26,N1(NC(=O)c2cccc(Br)c2)C(=O)C(C3C1=O)C4C5C(C5)C3C=C4,0.0
30150,CO-ADD:0215178,6.26,c1(c(ccc(c1)[N+](=O)[O-])Nc(cccc2C(OCCCCCCCCCC)=O)c2)[N+](=O)[O-],0.0
30151,CO-ADD:0217477,6.26,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cccc2OC(=O)c3cccc(Br)c3)c2)=C\c4cccs4,0.0
30152,CO-ADD:0154549,6.26,N#C/C(C(OC)=O)=CC1=CC=CC=C1,0.0
30153,CO-ADD:0154598,6.26,O=CC(C=C1)=CC=C1OCCO[N+]([O-])=O,0.0
30154,CO-ADD:0154599,6.26,CC1=CC=C(N=C(Cl)C(/C=N/O)=C2)C2=C1,0.0
30155,CO-ADD:0154601,6.26,CC1=CC=C(N=C(Cl)C(/C=N/OCC2=CC=CC=C2)=C3)C3=C1,0.0
30156,CO-ADD:0154552,6.26,N#C/C(C(OCC)=O)=C/C1=CC=C(C=C1)[N+]([O-])=O,0.0
30157,CO-ADD:0157884,6.26,[O-][N+](C1=C(O)C(/C=N/C2=CC(C3=NC(C=CC=C4)=C4O3)=CC=C2)=CC(Cl)=C1)=O,0.0
30158,CO-ADD:0157900,6.26,ClC(C=C(Cl)C=C1)=C1C2=CC=C(/C=N/C3=CC=C(C=C3)C(O4)=NC5=C4C=CC=C5)O2,0.0
30159,CO-ADD:0157469,6.26,[O-][N+](C1=CC=C(C(/C=N/NC(COC2=CC=CC3=CC=CC=C23)=O)=C1)N4CCCCC4)=O,0.0
30160,CO-ADD:0160528,6.26,[O-][N+](C1=CC(/C=N/NC(C2=NON=C2N)=O)=CC=C1Cl)=O,0.0
30161,CO-ADD:0160440,6.26,OC(C(/C=N/C1=CC(N=C(C2=CC(OC)=CC=C2)O3)=C3C=C1)=CC(Br)=C4)=C4OC,0.0
30162,CO-ADD:0159968,6.26,S=C(N(C1=CC=CC=C1)C/2=O)N(C(C=C3)=CC=C3C)C(C2=C\C4=CC=C5OCOC5=C4)=O,0.0
30163,CO-ADD:0160505,6.26,O=C(C1=CC(OC2=CC=C3C(N(C4=CC=CC=N4)C(C3=C2)=O)=O)=CC=C51)N(C6=NC=CC=C6)C5=O,0.0
30164,CO-ADD:0159995,6.26,[O-][N+](C1=CC(Br)=C(O)C(/C=N/NC(C2=CC=CC=N2)=O)=C1)=O,0.0
30165,CO-ADD:0160316,6.26,O=C(C)OCCSC1=CC=C(C=C1)OC2=CC=C(SCCOC(C)=O)C=C2,0.0
30166,CO-ADD:0158571,6.26,O=C(C1=CC=CC=N1)N/N=C/C2=CC=C(C=C2)OC(C(C=C3)=CC=C3Br)=O,0.0
30167,CO-ADD:0158597,6.26,O=C1N(C2=CC=CC(NC(COC(C=CC=C3)=C3C)=O)=C2)C(C4=C1C=CC=C4)=O,0.0
30168,CO-ADD:0155510,6.26,O=S(NC(C)=O)(C(C=C1)=CC=C1N/N=C2C(N(C3=CC=CC=C3)NC\2=O)=O)=O,0.0
30169,CO-ADD:0155414,6.26,ClC1=CC(C2=CSC(NC3=C(C=CC=C4)C4=CC=C3)=N2)=CC=C1Cl,0.0
30170,CO-ADD:0158562,6.26,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C(C=CC=C3)=C3OC)=NC(N4CCCCC4)=N2)=O,0.0
30171,CO-ADD:0158594,6.26,O=C(C1=C2C=CC(Br)=C1)N(C3=C(C=CC=C3)C(N(C4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5)=O)C2=O,0.0
30172,CO-ADD:0217448,6.26,c(\C=N\NC(=O)c(ccc(n1)C)c1)(cc(Br)cc2I)c2O,0.0
30173,CO-ADD:0217472,6.26,c1(\C=N\c(ccc(c23)oc(c(cc4)ccn4)n2)c3)c(O)c(OC)cc(Br)c1Br,0.0
30174,CO-ADD:0216825,6.26,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C(/C)\c(cccc2NC(c3ccccc3)=O)c2,0.0
30175,CO-ADD:0217201,6.26,C(=O)(N\N=C\c(cc1)ccc1Cl)c2ccc(cc2)NC(C)=O,0.0
30176,CO-ADD:0217104,6.26,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2Br)\C=C\c(cc3)ccc3Br,0.0
30177,CO-ADD:0217060,6.26,n1c(Nc2cccc(Cl)c2)scc1c3cccc(cccc4)c34.Cl,0.0
30178,CO-ADD:0164618,6.26,COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1.O.O.OC(=O)/C=C/C(=O)O,0.0
30179,CO-ADD:0164674,6.25,OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,0.0
30180,CO-ADD:0164953,6.25,NC1=NC(=O)C(O1)c1ccccc1,0.0
30181,CO-ADD:0164604,6.25,CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21,0.0
30182,CO-ADD:0164992,6.25,CC1CC2C3CCC(O)(C(C)=O)C3(C)CC(O)C2(F)C2(C)C=CC(=O)C=C12,0.0
30183,CO-ADD:0217921,6.25,S(=O)(=O)(c1ccc(cc1)NC(CCCCC)=O)Nc2cc(OC)ncn2,0.0
30184,CO-ADD:0218017,6.25,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c(cc(Br)cc4Cl)c4O,0.0
30185,CO-ADD:0217970,6.25,C12(\C=N\c3ccccc3C)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OCC)=O)c(cccc7)c27,0.0
30186,CO-ADD:0218714,6.25,C(=O)(OC(C)(C)C)NC(CCSC)C(=O)NC(Cc(cc1)ccc1O)C(NN)=O,0.0
30187,CO-ADD:0157098,6.25,O=C(C1=CC=C(F)C=C1)N/N=C/C2=CC=C(SCC(NC3=CC=CC=C3)=O)O2,0.0
30188,CO-ADD:0157170,6.25,O=C(C1=C2C=CC=C1)C(C(NC(N(CC)C3=CC=CC=C3)=O)=CC=C4)=C4C2=O,0.0
30189,CO-ADD:0157210,6.25,O=C(OCC)C(C=C1)=CC=C1NC(CCCC(OC/C(C2=CC=C(Br)C=C2)=N/O)=O)=O,0.0
30190,CO-ADD:0157218,6.25,BrC1=CC=CC=C1N(C(C2=CC=C(Cl)C=C2)C3)N=C3C4=CC=C(Cl)C=C4,0.0
30191,CO-ADD:0160548,6.25,ClC(N(C1=CC=CC=C1)N=C2C)=C2/C=N\NC(CNC3=CC(C=CC=C4)=C4C=C3)=O,0.0
30192,CO-ADD:0155965,6.25,[O-][N+](C1=CC=C(C(NCCN(C)C)=O)O1)=O.Cl,0.0
30193,CO-ADD:0160447,6.25,O=C(NC1=NC=CS1)C(F)(F)C(F)(F)C(F)F,0.0
30194,CO-ADD:0161146,6.25,C(=O)(N\N=C\c(cccc1Oc2ccccc2)c1)C(C)Oc(cc3)ccc3Cl,0.0
30195,CO-ADD:0161554,6.25,C(COc(cc1)ccc1Cl)(=O)N\N=C\c2ccccc2OC(C)=O,0.0
30196,CO-ADD:0155471,6.25,O=C(C1=CC=CC=C1)NC2=CC=C(C=C2)C(COC(C3=CC=CC=C3)=O)=O,0.0
30197,CO-ADD:0155479,6.25,O=C(S/1)N(CNC2=CC=CC(C)=C2C)C(C1=C/C3=CC=C4OCOC4=C3)=O,0.0
30198,CO-ADD:0158529,6.25,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C\C3=CC=NC=C3)=NC(N4CCCCC4)=N2)=O,0.0
30199,CO-ADD:0158545,6.25,O=C(N/N=C/C1=CC=C(C(OC)=C1)OC)CN2N=NC3=C2C=CC=C3,0.0
30200,CO-ADD:0158630,6.25,N#CC(C=C1OC(C2=CC(C(C)(C)C)=CC(C(C)(C)C)=C2)=O)=C(C=C1)C#N,0.0
30201,CO-ADD:0158638,6.25,O=C(CC(C)C)NC1=NC=CS1,0.0
30202,CO-ADD:0217234,6.25,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)CN2CCCCC2,0.0
30203,CO-ADD:0217450,6.25,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3)c4ccco4,0.0
30204,CO-ADD:0217133,6.25,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)F,0.0
30205,CO-ADD:0217189,6.25,S(=O)(=O)(c1ccc(cc1)I)NCC(=O)NCC(N)=O,0.0
30206,CO-ADD:0216914,6.25,n1c(c2ccc(c(C)c2)F)csc1N\N=C(/C)\c3ccccc3O.Br,0.0
30207,CO-ADD:0216937,6.25,C(=O)(N\N=C\c(ccc(c1Cl)Cl)c1)C(=O)NCc2ccco2,0.0
30208,CO-ADD:0217145,6.25,C1(C#N)(C#N)C(c2cccs2)C3C(C(C#N)=C1N)=CCC(C(C)(C)C)C3,0.0
30209,CO-ADD:0216978,6.25,C(=O)(C\C(\C)=N\NC(Cc1ccccc1)=O)Nc2cc(C)ccc2OC,0.0
30210,CO-ADD:0164943,6.25,NC(=N)NC(=O)c1nc(Cl)c(N)nc1N.Cl.O.O,0.0
30211,CO-ADD:0164583,6.25,OC(=O)[C@@H]1CSC(=O)N1,0.0
30212,CO-ADD:0164679,6.25,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.OC(=O)/C=C\C(=O)O,0.0
30213,CO-ADD:0164613,6.25,CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[n-]1.[K+],0.0
30214,CO-ADD:0165017,6.25,COc1cc(C)c(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)c(C)c1C,0.0
30215,CO-ADD:0164702,6.25,CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC,0.0
30216,CO-ADD:0217541,6.25,n1c2c(oc1c3cccc(c3)\N=C\c4cc(Br)cc(OC)c4O)cccc2C,0.0
30217,CO-ADD:0217582,6.25,C(C#N)(C1CCC)=C(N)SC(N)=C1C#N,0.0
30218,CO-ADD:0158268,6.25,O=C(N/N=C/C(C=CC=C1)=C1OCCCCC)C2=CC=C(F)C=C2,0.0
30219,CO-ADD:0157950,6.25,O=C(N/N=C(CCC)\C1=CC=CC=C1)C2=CC=CC=C2Br,0.0
30220,CO-ADD:0157958,6.25,O=C(OCC)C1=C(CN2CCN(C3=CC=CC=C3)CC2)OC4=C1C=C(OC)C=C4,0.0
30221,CO-ADD:0157131,6.25,[O-][N+](C1=CC=CC(/C=N/NC(/C(NC(C(C=CC=C2)=C2Cl)=O)=C\C3=CC=CS3)=O)=C1)=O,0.0
30222,CO-ADD:0157339,6.24,O=C(COC1=CC=C2C=CC=CC2=C1)N/N=C\C3=CC(Br)=C(Br)O3,0.0
30223,CO-ADD:0157003,6.24,N#CC1=C(SCC(NC2=C(C=CC=C2)[N+]([O-])=O)=O)N=C(N)N=C1SC,0.0
30224,CO-ADD:0157011,6.24,N#CC1=C(SCC(NCC2=CC=CC=C2)=O)N=C(C)C(C(C)=O)=C1,0.0
30225,CO-ADD:0157211,6.24,OC1=C(C=CC=C1)/C=N/C2=CC=C(C=C2)C(C3=C4C=CC=C3)(C(C=C5)=CC=C5/N=C/C6=CC=CC=C6O)C7=C4C=CC=C7,0.0
30226,CO-ADD:0157019,6.24,N#CC1=C(SCC(NC(C=CC=C2)=C2C)=O)N=C(C3=CC=CC=C3)C=C1C(C=C4)=CC=C4OC,0.0
30227,CO-ADD:0163639,6.24,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(ccc(c3Br)OC)c3,0.0
30228,CO-ADD:0160147,6.24,O=C(COC1=CC=CC=C1)NC2=NC(C3=CC=CC=C3)=CS2,0.0
30229,CO-ADD:0160124,6.24,O=C(N/N=C/C1=CC(Cl)=CC=C1O)CN2C(C3=NON=C3N)=NC4=C2C=CC=C4,0.0
30230,CO-ADD:0161295,6.24,n(c1c(CCC1)cc2C#N)c2SCC(=O)Nc(cccc3C(F)(F)F)c3,0.0
30231,CO-ADD:0161547,6.24,c1(Br)c(Cl)c(Br)cc(Br)c1OCC(=O)N\N=C(/C)\c2cccc(Br)c2,0.0
30232,CO-ADD:0161449,6.24,N1(CO)c(cccc2)c2C(=O)C1=O,0.0
30233,CO-ADD:0161100,6.24,C(COc(ccc(c1C)C)c1)(=O)Nc(cc2)ccc2I,0.0
30234,CO-ADD:0155378,6.24,[O-][N+](C(C=C1)=CC=C1C(NC2=CC=C(C=C2)C(N)=O)=O)=O,0.0
30235,CO-ADD:0155394,6.24,O=C(NCCCN1CCOCC1)C2=CC=CC(C)=C2,0.0
30236,CO-ADD:0158645,6.24,[O-][N+](C(C=C1)=CC=C1C(OC2=CC(C(OC)=O)=CC=C2OC(C3=CC=C(C=C3)[N+]([O-])=O)=O)=O)=O,0.0
30237,CO-ADD:0155545,6.24,[O-][N+](C1=C([N+]([O-])=O)C=CC(N/C=C2C(N(C3=CC=CC=C3)N=C\2C)=O)=C1)=O,0.0
30238,CO-ADD:0158561,6.24,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C2=CC=C(C(Br)=C2)O,0.0
30239,CO-ADD:0155453,6.24,S=C(N1C2=CC=CC=C2)N(C3=CC(C)=C(C)C=C3)C(/C(C1=O)=C/C4=CC=C(O)C=C4)=O,0.0
30240,CO-ADD:0217622,6.24,c1(OC)c(OC)ccc(\C=N\NC(=O)c2ccccc2Br)c1OC,0.0
30241,CO-ADD:0217662,6.24,C(=O)(N\N=C\c1ccccc1O)c2ccc(cc2)NC(CCCCC)=O,0.0
30242,CO-ADD:0217618,6.24,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(COc4ccccc4)=O,0.0
30243,CO-ADD:0217212,6.24,C(F)(F)(COc1ccc(cc1NC(=O)c2ccc(cc2)Br)C(F)(F)F)C(F)F,0.0
30244,CO-ADD:0216994,6.24,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c3ccccc3C,0.0
30246,CO-ADD:0217042,6.24,C1(=COC(=O)C=C1)C(=O)Nc2cc(C)ccc2C,0.0
30247,CO-ADD:0217346,6.24,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c(ccc2c3ccc(cc3)Cl)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
30248,CO-ADD:0217191,6.24,N(c(cc1)ccc1NC(=O)\C=C\c2cccc(Br)c2)=Nc3ccccc3,0.0
30250,CO-ADD:0164701,6.24,CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,0.0
30251,CO-ADD:0164791,6.24,Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1,0.0
30252,CO-ADD:0164755,6.24,OC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1,0.0
30253,CO-ADD:0164851,6.24,CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1\C=C\C(=O)OC(C)(C)C)C(=O)OCC,0.0
30254,CO-ADD:0164853,6.24,CN(C)CCN(Cc1ccccc1)c1ccccn1.Cl,0.0
30255,CO-ADD:0158174,6.24,N#CC1=C(SC/C=C/C2=CC=CC=C2)N=C(C3=CC=CS3)C=C1C(C=C4)=CC=C4Cl,0.0
30256,CO-ADD:0157268,6.24,O=C(NCC1=CC=C2OCOC2=C1)C3=C(Cl)C=C(Cl)C=C3,0.0
30257,CO-ADD:0157292,6.24,O=C(NCCCCCCCC)C(C1)C1C2=CC=CC=C2,0.0
30258,CO-ADD:0157108,6.24,O=C1N(N=C(O)C=C2)C2=NC3=C1C=CC=C3,0.0
30259,CO-ADD:0157340,6.24,O=C(C1=CC=CC=C1)N/N=C\C2=NC(C(N=C3/C=N\NC(C4=CC=CC=C4)=O)=C(C=C3)C=C5)=C5C=C2,0.0
30260,CO-ADD:0157156,6.24,O=C(N/N=C/C1=CC(OC)=C(OCCC)C=C1)C(NC2=C(C)C=CC(Cl)=C2)=O,0.0
30261,CO-ADD:0157180,6.24,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(OC/2=O)=NC2=C/C3=CC=C(OCC)C=C3)=C1)=O,0.0
30262,CO-ADD:0163671,6.24,C(=O)(N\N=C\c(cc1)ccc1Br)C(=O)Nc2ccccc2OCC,0.0
30263,CO-ADD:0163528,6.24,C(=O)(Oc1ccc(cc1\C=N\NC(=O)C(O)c2ccccc2)Br)c3ccco3,0.0
30264,CO-ADD:0163080,6.24,C1(C2c3ccc(cc3)OC(C)=O)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
30265,CO-ADD:0163265,6.24,C(=O)(N\N=C\c1ccccc1)C(C)Oc2cccc(cccn3)c23,0.0
30266,CO-ADD:0163593,6.24,[N+](=O)([O-])c1cccc2c1cccc2C(=O)N(CC3)CCO3,0.0
30267,CO-ADD:0163689,6.23,C(=O)(Nc(cc1)ccc1OCCCCC)c2ccccc2I,0.0
30268,CO-ADD:0159823,6.23,FC(F)(F)C1=CC=CC(N(C(C(C=CC=C2)=C2Cl)C3)N=C3C4=CC=C(Br)C=C4)=C1,0.0
30269,CO-ADD:0159911,6.23,O=C(N/N=C/C1=CC(OC)=C(OC)C(OC)=C1)C(NC2=CC=CC(Cl)=C2Cl)=O,0.0
30270,CO-ADD:0161121,6.23,C(C(=O)N\N=C\c1cc(Br)cc(C)c1O)(C2)=NNC2(c3ccccc3)c4ccccc4,0.0
30271,CO-ADD:0161505,6.23,C(=C/Nc1ccccc1)(/C#N)\C#N,0.0
30272,CO-ADD:0161561,6.23,C(COc(cc1)ccc1F)(=O)N\N=C\c2ccccc2OCC=C,0.0
30273,CO-ADD:0159844,6.23,O=C(NC1=C(C=CC=C1)C(F)(F)F)C2(C[C@H]3C4)C[C@H]4C[C@H](C3)C2,0.0
30274,CO-ADD:0158517,6.23,BrC1=CC(Cl)=CC(/C=N/C2=CC=C3C(N=C(C4=CC=CC=C4)O3)=C2)=C1O,0.0
30275,CO-ADD:0154970,6.23,N#CC(C(C(F)(F)F)=C1)=C(SCC(O)=O)N=C1C2=CC=CS2,0.0
30276,CO-ADD:0154766,6.23,N#CC1=C(C)C=C(NC2=CC(/C=C/C(O)=O)=CC=C2)N3C1=NC4=C3C=CC(C)=C4,0.0
30277,CO-ADD:0217055,6.23,C(Oc(cccc1C(=O)Nc2ccccc2F)c1)(=S)Nc3cccc(C)c3C,0.0
30278,CO-ADD:0217166,6.23,C1(C2c3ccc(c(Cl)c3)Cl)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
30279,CO-ADD:0217182,6.23,C(/O)(\c1ccc(cc1)C)=C/C=N/c(cc2)ccc2O,0.0
30280,CO-ADD:0216990,6.23,C(CSCc1ccccc1C)(=O)N\N=C\c2ccccc2O,0.0
30281,CO-ADD:0217366,6.23,c(Nc1ccccc1)(nc(N\N=C\c(ccc2c(ccc(c3Cl)F)c3)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
30282,CO-ADD:0217111,6.23,c1(C#N)c(c2ccccc2)c3c(nc1SCC(OCc4ccccc4)=O)CCC3,0.0
30283,CO-ADD:0164869,6.23,[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],0.0
30284,CO-ADD:0164515,6.23,CO[C@H]1[C@@H](CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC(=O)CC(C)C)[C@@H](O)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(C)=O,0.0
30285,CO-ADD:0164885,6.23,COCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=N/OC)\c1csc(N)n1)C2=O)C(=O)OC(C)OC(=O)OC(C)C,0.0
30286,CO-ADD:0164542,6.23,CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12,0.0
30287,CO-ADD:0164986,6.23,COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(C)=O.Cl,0.0
30288,CO-ADD:0158233,6.23,O=S(N(C1=CC=C(OC)C=C1)CC(N/N=C/C2=CC=C(C(OCC)=C2)OCCC)=O)(C3=CC=CC=C3)=O,0.0
30289,CO-ADD:0157004,6.23,N#CC1=C(SCC(NC2=CC=C(C=C2)[N+]([O-])=O)=O)N=C(N)N=C1SC,0.0
30290,CO-ADD:0157149,6.23,O=C(N/N=C(C)/CC(NC(C)CC)=O)C1=CC=CC=C1Cl,0.0
30291,CO-ADD:0156989,6.23,N#CC1=C(SCC(NC2=CC=CC=C2)=O)N=C(N)N=C1SC,0.0
30292,CO-ADD:0163547,6.23,c1(cc(\C=N\NC(COc(cc2)ccc2C)=O)cc(OC)c1O)[N+](=O)[O-],0.0
30293,CO-ADD:0163587,6.23,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\NC(=O)c3ccccc3O)C(=O)Oc(cc4)ccc4\C=N\NC(=O)c5ccccc5O,0.0
30294,CO-ADD:0163611,6.23,N(=C(/C)\c1ccccc1)/NC(COc2ccc(cc2Br)OC)=O,0.0
30295,CO-ADD:0158028,6.23,O=C(CSCC(NCC(C1=CC=CC=C1)=O)=O)NC2=CC=CC=C2,0.0
30296,CO-ADD:0157453,6.23,O=C(OC1=C2C=CC(Cl)=C1)N2C(C3=CC=C(OC)C=C3)=O,0.0
30297,CO-ADD:0159860,6.23,ClC1=CC=C(C=C1)/C=N/C2=C(C(C=C3OC)=CC=C3O)N=C4N2C=CC=C4,0.0
30298,CO-ADD:0160013,6.23,O=C(OC1=C2C=CC=C1)N2C(C3=CC=C(C)C=C3)=O,0.0
30299,CO-ADD:0159903,6.23,O=C(N/N=C/C1=CC(Br)=C(OC)C=C1)COC(C(Br)=C2)=C(Br)C=C2OC,0.0
30300,CO-ADD:0160056,6.23,O=C(O1)C(C2=NC(C(C(O3)=O)=CC4=C3C=CC=C4)=CS2)=CC5=C1C=C(O)C=C5,0.0
30301,CO-ADD:0160498,6.23,N#CC([C@H](C(C=C1OC)=CC=C1OC)[C@H]2C(C3=CC=C(C)C=C3)=O)(C#N)[C@]4([H])N2C5=CC=CC=C5C=C4,0.0
30302,CO-ADD:0160322,6.23,O=C(N/N=C/C1=CC(OCO2)=C2C=C1)CC3(CCCCC3)O,0.0
30303,CO-ADD:0158590,6.23,O=C(N/N=C/C1=CC=C(O)C=C1)COC(C(Br)=C2)=C(Br)C=C2C,0.0
30304,CO-ADD:0155523,6.23,O=C(COC1=CC(C)=CC=C1C(C)C)N/N=C/C2=CN(CC3=CC=CC=C3)C4=C2C=CC=C4,0.0
30305,CO-ADD:0155399,6.23,O=C(C)NC1=C(C(C)=O)OC2=C1C=C(Br)C=C2,0.0
30306,CO-ADD:0156449,6.23,O=C(NC1=C(C)C=C(I)C=C1)C2=C(N)C(C(C)=C3)=C(N=C3C(F)(F)F)S2,0.0
30307,CO-ADD:0156505,6.23,OC1=CC(/C=N/NC2=NC(N3CCCCC3)=NC(N4CCCCC4)=N2)=CC=C1O,0.0
30308,CO-ADD:0217087,6.23,c1(C(OCC)=O)c(C)[nH]c(C(OCC)=O)c1C,0.0
30309,CO-ADD:0217307,6.23,n1c(ccc(c2)\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])c2oc1c5ccc(cc5)Cl,0.0
30310,CO-ADD:0217083,6.23,C(=O)(N\N=C\c1ccccc1OC)C(NCCC)=O,0.0
30311,CO-ADD:0217156,6.22,c(C(=O)c1ccc(cc1)F)(sc(c23)nc4c(CCC(C(C)(C)C)C4)c2c5cccs5)c3N,0.0
30312,CO-ADD:0216905,6.22,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CSCc2ccccc2C)=O,0.0
30313,CO-ADD:0217001,6.22,C(=O)(C\C(\C)=N\NC(COc(ccc(c1C)Br)c1)=O)Nc2cc(C)ccc2OC,0.0
30314,CO-ADD:0164614,6.22,OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1.Cl,0.0
30315,CO-ADD:0156649,6.22,O=C(C(NC(C1=CC=C(C=C1)[N+]#[C-])=O)CC#C)NCCC,0.0
30316,CO-ADD:0156652,6.22,O=C(C(NC(C1=CC=C(C=C1)C(F)(F)F)=O)CC2=C(C=CC=C2)C)NCCC,0.0
30317,CO-ADD:0164021,6.22,O=C(N1OC(O)C(CCCCCCC)C1)OCC2=CC=CC=C2,0.0
30319,CO-ADD:0164023,6.22,O=C1N(S(=O)(C2=CC=C(C)C=C2)=O)N(S(=O)(C3=CC=C(C)C=C3)=O)CC1CC4=CC=CC=C4,0.0
30320,CO-ADD:0164024,6.22,O=C(N1N(S(=O)(C2=CC=C(C)C=C2)=O)CC(CCCCCCC)C1=O)OC(C)(C)C,0.0
30321,CO-ADD:0158365,6.22,O=C(N/N=C/C1=CC(OC)=C(OC)C=C1)CCOC2=CC=CC=C2C,0.0
30322,CO-ADD:0158601,6.22,O=S(C1=C(Cl)C=CC(C(NC2=CC=CC=C2OC)=O)=C1)(N3CCOCC3)=O,0.0
30323,CO-ADD:0156973,6.22,O=C(CSC1=NC(C=CC=C2)=C2S1)N3C(O)(C)CC(C)=N3,0.0
30324,CO-ADD:0158029,6.22,O=S1(N=C(C(C=C2)=C1C=C2[N+]([O-])=O)N(C)/N=C/C3=CC=C(F)C=C3)=O,0.0
30325,CO-ADD:0158428,6.22,O=C(C(C=C1)=CC=C1NC(C(C=C2)=CC=C2F)=O)N(C3=CC=CC=C3)C4=CC=CC=C4,0.0
30326,CO-ADD:0158390,6.22,[O-][N+](C1=C(O)C(/C=N/C2=CC(OC)=CC=C2)=CC=C1)=O,0.0
30327,CO-ADD:0160514,6.22,[O-][N+](C1=CC(C2=O)=C(C(C(OCC(F)(F)C(F)F)=O)=C1)C(C=C3)=C2C=C3[N+]([O-])=O)=O,0.0
30328,CO-ADD:0160429,6.22,FC(C(NC(C=C1)=CC=C1OC2=CC=CC=C2)=O)(C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F,0.0
30329,CO-ADD:0160518,6.22,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C\C3=CC=C(C=C3)/C=N\NC4=NC(NC5=CC(C)=C(C)C=C5)=NC(NC6=CC=C(C=C6)[N+]([O-])=O)=N4)=NC(NC7=CC(C)=C(C)C=C7)=N2)=O,0.0
30330,CO-ADD:0160358,6.22,O=C(N/N=C/C1=CC=C(C=C1)OC(C)C)C2=CC=CC(Br)=C2,0.0
30331,CO-ADD:0160446,6.22,O=C(CNC1=CC=CC(C)=C1)N/N=C/C2=C(O)C=CC(OC)=C2,0.0
30332,CO-ADD:0159969,6.22,O=C1C=C(C)C(C(OCC(C2=CC=CC=C2)=O)=O)=C(C)O1,0.0
30333,CO-ADD:0156108,6.22,N#CC1=CC=CC=C1OCC(N/N=C/C2=CC([N+]([O-])=O)=CC=C2O)=O,0.0
30334,CO-ADD:0156124,6.22,O=C(N/N=C/C1=CC=C2OCOC2=C1)C(NC(C=CC=C3)=C3Cl)=O,0.0
30335,CO-ADD:0156177,6.22,O=C(OCC)C1=C(C)C(C(C)=O)=C(COC(/C=C/C2=CC=CC=C2)=O)N1,0.0
30336,CO-ADD:0156377,6.22,O=C(/C1=C/C2=CC=C(OC)C=C2)N3C(S1)=NC4=C3N=CC(Br)=C4,0.0
30337,CO-ADD:0156112,6.22,N#CC(C=CC=C1)=C1OCC(N/N=C(C2=C3C=CC(C)=C2)/C(N3)=O)=O,0.0
30338,CO-ADD:0156512,6.22,[O-][N+](C(C=C1)=CC=C1C(O/N=C(N)\C(C=C2)=CC=C2Cl)=O)=O,0.0
30339,CO-ADD:0217639,6.22,N1C(=S)Nc(c2C1=O)cccc2,0.0
30340,CO-ADD:0217415,6.22,C(=O)(NCC(=O)N\N=C\c1ccccc1O)c2ccco2,0.0
30341,CO-ADD:0164651,6.22,Nc1nc2ccc(OC(F)(F)F)cc2s1.Cl,0.0
30342,CO-ADD:0164956,6.22,OC1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CCC1)c45.Cl,0.0
30343,CO-ADD:0164637,6.22,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,0.0
30344,CO-ADD:0156653,6.22,O=C(C(NC(C1=CC=CC=C1)=O)CC2=CC=C(C=C2)F)NCCC,0.0
30345,CO-ADD:0216906,6.22,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c(cc3)ccc3C(OC)=O,0.0
30346,CO-ADD:0217675,6.21,C(=O)(N\N=C\c(cccn1)c1)C(C)Oc2ccccc2Br,0.0
30347,CO-ADD:0158030,6.21,N=C(N)NCCCC(NC(C(CC1=CC=CC=C1)NC(C(COC(C)(C)C)NC(OCC2=CC=CC=C2)=O)=O)=O)C(O)=O,0.0
30348,CO-ADD:0160200,6.21,BrC1=C(O)C(/C=N/C2=CC(N=C(C3=CC=NC=C3)O4)=C4C=C2)=CC(Cl)=C1,0.0
30349,CO-ADD:0156969,6.21,N#CC(C1C2=C(C)C=CS2)=C(N)N(C(/C3=C/C4=C(C)C=CS4)=O)C(S3)=C1C#N,0.0
30350,CO-ADD:0160291,6.21,[O-][N+](C1=CC=C(C(/C=N/NC(CNC(C=CC=C2)=C2I)=O)=C1)N3CCCCC3)=O,0.0
30351,CO-ADD:0158418,6.21,O=C(C1CCCCC1)NC2=CC=C(C=C2)C(NCCCCCCCCCCC)=O,0.0
30352,CO-ADD:0158442,6.21,O=C(NC1=CC=C(OC)C=C1)C(C=C2)=CC=C2NC(C3=CC=C(F)C=C3)=O,0.0
30353,CO-ADD:0160156,6.21,[O-][N+](C(C=C1[N+]([O-])=O)=C(C=C1)C(NC2=C(C=C(Br)C=C2)OC(C(C=C3)=C(C=C3[N+]([O-])=O)[N+]([O-])=O)=O)=O)=O,0.0
30354,CO-ADD:0160117,6.21,O=S(C1=C(Cl)C=CC(C(NC2=CC=C(Br)C=C2)=O)=C1)(N(CC)CC)=O,0.0
30355,CO-ADD:0161069,6.21,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc(cc2)ccc2I)=O)O)c1,0.0
30356,CO-ADD:0160206,6.21,ClC1=CC(C2=CC=C(/C=N/C3=CC(C4=NC(C=CC=C5)=C5O4)=CC=C3)O2)=CC=C1Cl,0.0
30357,CO-ADD:0161122,6.21,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(ccc3c(cccc4C(F)(F)F)c4)o3,0.0
30358,CO-ADD:0161130,6.21,N(=C(/C)\c1ccc(c2c1)CCCC2)/NC(CNc(cc3)ccc3C)=O,0.0
30359,CO-ADD:0156501,6.21,O=C(OCCCCCCC)NC(C=C1)=CC=C1CC2=CC=C(C=C2)NC(OCCCCCCC)=O,0.0
30360,CO-ADD:0154859,6.21,ClC1=CC(/C=N/C2=CC(C3=NC(C=C4)=C(C=C4C)O3)=C(Cl)C=C2)=CC=C1Cl,0.0
30361,CO-ADD:0154919,6.21,N#CC(C#N)C(C(C=CC=C1)=C1I)C2C(NN=C2C)=O,0.0
30362,CO-ADD:0155565,6.21,O=C(N(C(C=C1C)=CC=C1C)N=C2C)C2=CNC3=CC(N)=C(Cl)C=C3,0.0
30363,CO-ADD:0156194,6.21,O=C(C(C=CC=C1)=C1C)NC2=C(C=CC=C2)C(N/N=C/C3=CC=CC=C3OCC)=O,0.0
30364,CO-ADD:0164871,6.21,CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1,0.0
30365,CO-ADD:0164895,6.21,C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)c1ccccc1.[Br-],0.0
30366,CO-ADD:0164800,6.21,Brc1c(NC2=NCCN2)ccc2nccnc12,0.0
30367,CO-ADD:0164450,6.21,CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1,0.0
30368,CO-ADD:0164916,6.21,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1,0.0
30369,CO-ADD:0165026,6.21,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,0.0
30370,CO-ADD:0157246,6.21,FC1=C(C=CC=C1)C(C2)N(C3=CC=CC=C3Br)N=C2C4=CC=C(Br)C=C4,0.0
30371,CO-ADD:0158319,6.21,O=C(NC1=CC=CC(OCCCCCC)=C1)NC2=CC(Cl)=C(Cl)C=C2,0.0
30372,CO-ADD:0158352,6.21,O=S(NC(CC)C(O)=O)(C(C=C1)=CC=C1[N+]([O-])=O)=O,0.0
30373,CO-ADD:0158050,6.21,[O-][N+](C1=CC=CC(C(N/N=C(C)/CC(N2CCCCC2)=O)=O)=C1)=O,0.0
30374,CO-ADD:0157682,6.21,[O-][N+](C1=C(C=CC=C1)C2=CC=C(O2)C3NC4=CC=CC=C4C(CC)(CC)O3)=O,0.0
30375,CO-ADD:0158098,6.21,O=C(CCCC1=CC=CC=C1)N/N=C/C2=CC=C(C)O2,0.0
30376,CO-ADD:0156914,6.21,C1(SC2=C3N=CC=CC3=CC=C2)=CC=C(/C=N/C4=CC=C5C=CC=CC5=C4)O1,0.0
30377,CO-ADD:0161517,6.21,N1(CN(CC2)CCO2)c(ccc(c3)[N+](=O)[O-])c3OC1=O,0.0
30378,CO-ADD:0161149,6.21,C(=N/NC(COc(ccc(c1C)C)c1)=O)(/c2c(N3)cccc2)\C3=O,0.0
30379,CO-ADD:0161565,6.21,c1(\C=N\NC(COc(cc2)ccc2F)=O)c(cccc1Cl)Cl,0.0
30380,CO-ADD:0161293,6.21,C(C(OCC)=O)(C1c2ccccc2)=C(CSc3c(cc(c4n3)CCC4)C#N)OC(N)=C1C#N.Cl.Cl,0.0
30381,CO-ADD:0160367,6.21,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=CC(I)=CC=C3O)=NC(N4CCCC4)=N2)=O,0.0
30382,CO-ADD:0156381,6.21,N#CC1=C(N)OC(NN=C2C)=C2C1C(C=C3)=CC=C3C(C)C,0.0
30383,CO-ADD:0156197,6.21,O=C(C(C=CC=C1)=C1C)NC2=C(C=CC=C2)C(N/N=C/C(C=C(Br)C=C3)=C3OCC4=CC=CC=C4)=O,0.0
30384,CO-ADD:0158753,6.21,O=C(C1=CC=CC(Br)=C1)OC(C=C2)=C(OC)C=C2/C=N/NC(CNC(C3=CC=CO3)=O)=O,0.0
30385,CO-ADD:0155774,6.21,O=S(NNC(C(C(Cl)=C1)=CC=C1Cl)=O)(C2=CC=C(CCCl)C=C2)=O,0.0
30386,CO-ADD:0156275,6.2,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(NC2=CC=C3OC(C4=C(Cl)C=C(Cl)C=C4)=NC3=C2)=O)=C1)=O,0.0
30387,CO-ADD:0156115,6.2,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC=C(C=C3)OC(C4=CC=CC=C4)=O)=C(C)N1C,0.0
30388,CO-ADD:0165050,6.2,COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1.Cl,0.0
30389,CO-ADD:0158368,6.2,O=C(C/C(C)=N/NC(C1=CC=C(I)C=C1)=O)NC2=C(F)C=C(F)C=C2,0.0
30390,CO-ADD:0156927,6.2,O=C(C1=C2C=CC=C1)C3=C2N=NC(C4=CC=CS4)=C3,0.0
30391,CO-ADD:0157415,6.2,O=C(N/N=C/C1=CC=C(C=C1)Br)C(CC)C(N/N=C/C2=CC=C(C=C2)Br)=O,0.0
30392,CO-ADD:0157696,6.2,N#CC1(C#N)C(N)=C(C2=CCCC[C@@]2([H])[C@@H]1C3=CC=C(C=C3)[N+]([O-])=O)C#N,0.0
30393,CO-ADD:0157683,6.2,OC1=C(OC)C=C(C=C1)C2OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5N2,0.0
30394,CO-ADD:0156899,6.2,O=C(NC1=C(C)C=C(I)C=C1)C2=C(N)C(C(C(F)(F)F)=CC(C)=N3)=C3S2,0.0
30395,CO-ADD:0159974,6.2,[O-][N+](C1=CC(/C(C(N2)=O)=N/NC(C3=C(O)C=CC(Br)=C3)=O)=C2C=C1)=O,0.0
30396,CO-ADD:0160478,6.2,O=C(C1=CC=CC(C)=C1)OC(C=C2)=CC=C2OC(C3=CC=CC(C)=C3)=O,0.0
30397,CO-ADD:0160311,6.2,[O-][N+](C1=CC=C(C(/C=N/NC(CNC(C=CC=C2)=C2I)=O)=C1)N3CCOCC3)=O,0.0
30398,CO-ADD:0160213,6.2,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C(C(O)=C3)=CC=C3O)=NC(N4CCOCC4)=N2)=O,0.0
30399,CO-ADD:0160237,6.2,[O-][N+](C(N=C1C)=C(SCC(OCC)=O)N1CC2=CC=CC=C2)=O,0.0
30400,CO-ADD:0160214,6.2,[O-][N+](C1=CC(C2=C(/N=C/C(C=CC=C3)=C3Cl)N(C=CC=C4)C4=N2)=CC=C1)=O,0.0
30401,CO-ADD:0156147,6.2,O=C(COC(C(C)=C1)=C(C)C=C1C)NC2=CC=CC3=C2C=CC=C3,0.0
30402,CO-ADD:0156323,6.2,O=C(N1C)/C(C2=C1C=CC=C2)=N/NC(COC(C(Br)=C3)=CC=C3OC)=O,0.0
30403,CO-ADD:0156288,6.2,[O-][N+](C(C=C1)=CC=C1C2=CC(CC)C(C)C(N3CCCCC3)O2)=O,0.0
30404,CO-ADD:0155824,6.2,[O-][N+](C1=C(Br)C=CC(/C=N/C2=CC=C3C(N=C(C(C=C4)=CC=C4OC)O3)=C2)=C1)=O,0.0
30405,CO-ADD:0155840,6.2,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCC(N/N=C\C3=CC(I)=C(O)C=C3)=O,0.0
30406,CO-ADD:0155568,6.2,C1(C2=NC(C=CC=C3)=C3C=C2)=NC4=C(C(C=CC=C5)=C5C=C4)C6=C1CCC6,0.0
30407,CO-ADD:0217237,6.2,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])N(C)CC(OC)=O,0.0
30408,CO-ADD:0217245,6.2,C(=O)(N\N=C\c(cc1)ccc1Cl)C(NCCC)=O,0.0
30409,CO-ADD:0217261,6.2,C(=O)(NC(C)CC)C\C(\C)=N/NC(C(C)C)=O,0.0
30410,CO-ADD:0157470,6.2,[O-][N+](C1=CC=C(C(/C=N/NC(COC2=CC=CC3=CC=CC=C23)=O)=C1)N4CCOCC4)=O,0.0
30411,CO-ADD:0157594,6.2,O=C1NC(C(Br)=CC(Br)=C2)=C2/C1=N\NC(/C(NC(C3=CC=CC=C3)=O)=C/C4=CC=CC=C4O)=O,0.0
30412,CO-ADD:0157754,6.2,[O-][N+](C1=CC=C(C(/C=N/NC(CNC2=CC=CC=C2)=O)=C1)N3CCOCC3)=O,0.0
30413,CO-ADD:0157770,6.2,O=C(NCC(N/N=C/C(C=CC=C1)=C1O)=O)C2=CC(OC)=C(OC)C=C2,0.0
30414,CO-ADD:0157845,6.2,[O-][N+](C(C=CC=C1)=C1/C=N/NC(C(O)C(C=C2)=CC=C2Br)=O)=O,0.0
30415,CO-ADD:0157577,6.2,[O-][N+](C1=C(N2CCOCC2)C=CC3=NSN=C13)=O,0.0
30416,CO-ADD:0156923,6.2,O=S1(N=C(C2=C1C=CC=C2)NCCCCO)=O,0.0
30417,CO-ADD:0158060,6.2,[O-][N+](C(C=CC=C1)=C1NC(/C=C/C2=CC=CC(Br)=C2)=O)=O,0.0
30418,CO-ADD:0158084,6.2,O=C(C1=CC=C(C)C=C1)OC(C=C2)=CC=C2/C=N/NC(C3=CC=C(OC)C=C3)=O,0.0
30419,CO-ADD:0158054,6.2,O=S(NC(CC1=CC=CC=C1)C(NC)=O)(C(C=C2)=CC=C2I)=O,0.0
30420,CO-ADD:0157665,6.2,[O-][N+](C1=CC=CC(NC(OCCCCCCCCCC)=O)=C1)=O,0.0
30421,CO-ADD:0158092,6.2,S=C(OC1=CC=C(C=C1)C(NC2=CC=CC=C2)=O)N(CC(C)C)CC(C)C,0.0
30422,CO-ADD:0160622,6.2,C=CCC1=C(O)C(/C=N/C2=CC(Br)=CC=C2O)=CC=C1,0.0
30423,CO-ADD:0160630,6.2,O=C(C1=CC=CC=C1)OC2C[C@@H](CC/3)/C([C@H](C2)C3=N/NC(CCCCCCC)=O)=N/NC(CCCCCCC)=O,0.0
30424,CO-ADD:0160262,6.2,O=C(N/N=C/C1=CC=C(O)C=C1)CN2N=NC3=C2C=CC=C3,0.0
30425,CO-ADD:0161462,6.2,C(=O)(Nc(cc1)ccc1c(cc2)ccc2NC(=O)c3ccccc3F)c4ccccc4F,0.0
30426,CO-ADD:0160263,6.19,O=C(NC(C=C1)=CC=C1F)C2=CC=CS2,0.0
30427,CO-ADD:0160136,6.19,[O-][N+](C(C=C1)=CC=C1C2=CSC(N/N=C\C3=CC=CC=C3)=N2)=O,0.0
30428,CO-ADD:0155624,6.19,O=S(N(C1=CC=CC=C1)CC2=CC=CC=C2)(C3=CC=CC([N+]([O-])=O)=C3)=O,0.0
30429,CO-ADD:0158764,6.19,CC1=CC2=C(C=C1)N=C(C(C=C3)=CC=C3/N=C/C(C=C4)=CC=C4OCC5=CC=CC=C5)S2,0.0
30430,CO-ADD:0155632,6.19,S=C(OC1=CC=C(C=C1)C(NC2=CC=C(Br)C=C2)=O)N(CC(C)C)CC(C)C,0.0
30431,CO-ADD:0155785,6.19,O=C(NC1=C/2C=CC=C1)C2=N\NC(C(C3)C3C4=CC=CC=C4)=O,0.0
30432,CO-ADD:0156265,6.19,N#CC1=C(SCC(NC(C)(C)C)=O)N=C(C)C=C1C(F)(F)F,0.0
30433,CO-ADD:0164385,6.19,CC(COc1ccccc1Cc2ccccc2)N3CCCCC3.OP(=O)(O)O,0.0
30434,CO-ADD:0164801,6.19,O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F.Cl,0.0
30435,CO-ADD:0164817,6.19,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,0.0
30436,CO-ADD:0157529,6.19,S=C(N/N=C/C(C=C1)=CC=C1OCCCCCCC)NCC(C=C2)=CC=C2OCCCC,0.0
30437,CO-ADD:0157893,6.19,[O-][N+](C1=CC(Cl)=CC(/C=N/C2=C(C)C=C(C)C=C2)=C1O)=O,0.0
30438,CO-ADD:0157270,6.19,O=C(C1=CC=C2C3=C1C4=CC=C3CC2)N(C5=CC(C(C)C)=C(O)C=C5C)C4=O,0.0
30439,CO-ADD:0157015,6.19,N#CC(C(C(F)(F)F)=C1)=C(SCC(NC2=CC=C(C=C2)C(N)=O)=O)N=C1C3=CC=CS3,0.0
30440,CO-ADD:0157239,6.19,CC1=CC=CC(C2=NC3=CC(/N=C/C4=C(C=CC=C5)C5=CC6=CC=CC=C46)=CC=C3O2)=C1,0.0
30441,CO-ADD:0157826,6.19,ClC1=CC=C(O)C(/C=N/C2=CC(C3=NC(C=C4)=C(C=C4C)O3)=CC=C2)=C1,0.0
30442,CO-ADD:0157716,6.19,CCOC1=CC2=C(C=C1)N=C(SCC3=CNC4=C3C=CC=C4)S2,0.0
30443,CO-ADD:0155229,6.19,ClC1=CC=CC(N(C(C2=CC=CS2)C3)N=C3C(C=C4)=CC=C4F)=C1,0.0
30444,CO-ADD:0155245,6.19,O=S(C1=C(C=CC=C1)C2=NOC(C3=CC=CC=C3)=C2C(N)=O)(C(C)(C)C)=O,0.0
30445,CO-ADD:0155334,6.19,O=C(COC1=CC=CC(C)=C1)NC2=NN=C(CC(C)C)S2,0.0
30446,CO-ADD:0156934,6.19,[O-][N+](C1=CC(/C=N/C2=C(C3=CC(OC)=C(O)C=C3)N=C4N2C=CC=C4)=CC=C1Cl)=O,0.0
30447,CO-ADD:0157671,6.19,O=C(NC1=C/2C=CC=C1)C2=N\NC(C3=CC=CC=C3OCCCCCC)=O,0.0
30448,CO-ADD:0159874,6.19,[O-][N+](C(C=C1)=CC2=C1NC(CSC3=NC=CS3)=N2)=O,0.0
30449,CO-ADD:0159904,6.19,O=C1C2=C(C3=C1C=CC=C3)C(C4=C5C=CC=C4)=C(C=C5)N=C2C6=C(Cl)C=C(Cl)C=C6,0.0
30450,CO-ADD:0159749,6.19,BrC1=CC=C(C=C1)C2=CC=C(/C=N/C3=CC=CC(C(O4)=NC5=C4C=CC(C)=C5)=C3)O2,0.0
30451,CO-ADD:0159770,6.19,O=C(O1)C(Br)=C(Br)C1CC(CC2C(Br)=C(C(O2)=O)Br)=O,0.0
30452,CO-ADD:0160074,6.19,O=C1N(C2=CC(C(NC3=CC(C=CC=C4)=C4C=C3)=O)=CC=C2)C(C5C6C7=C(C=CC=C7)C(C8=C6C=CC=C8)C15)=O,0.0
30453,CO-ADD:0159794,6.19,OC1=CC(/C=N/NC2=NC(N3CCCCC3)=NC(N4CCCCC4)=N2)=CC=C1OC,0.0
30454,CO-ADD:0155825,6.19,IC1=CC(I)=CC(/C=N/C2=CC(N=C(C3=CC=CC=C3)N4)=C4C=C2)=C1O,0.0
30455,CO-ADD:0156303,6.19,O=C(N1)/C(C2=C1C=CC(C)=C2)=N\NC(COC3=C(Br)C=C(Br)C=C3OC)=O,0.0
30456,CO-ADD:0156284,6.19,O=C1C2=C(CC(C)(C)C1)C(C3=C4C=CC=C3)=C(C=C4)NC2C5=CC(Br)=C(OC)C=C5,0.0
30457,CO-ADD:0156308,6.19,O=C(COC(C(Br)=C1)=CC=C1OC)N/N=C/C(C)=C/C2=CC=CO2,0.0
30458,CO-ADD:0155762,6.19,[O-][N+](C1=CC(NC2=NC(N/N=C/C3=CC(O)=CC=C3)=NC(N4CCOCC4)=N2)=CC=C1)=O,0.0
30459,CO-ADD:0155647,6.19,O=C(C1C(C2=C3C=CC=C2)C4=C(C=CC=C4)C3C51)N(C(C=C6)=CC=C6C(O)=O)C5=O,0.0
30460,CO-ADD:0217748,6.19,n(c1F)c(N)c(c(F)n1)Br,0.0
30461,CO-ADD:0157459,6.19,OC1=C(C2=CC=C(CC)C=C2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C15,0.0
30462,CO-ADD:0157296,6.19,O=C(C(C=C1)=CC=C1Cl)NC2=CC=CC(C(N/N=C/C3=CC=CO3)=O)=C2,0.0
30463,CO-ADD:0163621,6.19,c1(Br)c(OCC(O)=O)c(\C=N\NC(COc2c(Br)cc(cc2Br)C)=O)cc(Br)c1OCC(O)=O,0.0
30464,CO-ADD:0163077,6.19,c1(C(c2ccccc2)=O)c(N)c(c3s1)ccc(C)n3,0.0
30465,CO-ADD:0163093,6.19,n1c(N(CC2)CCO2)c(Nc3ccccc3C)nc(non4)c14,0.0
30466,CO-ADD:0155695,6.19,N#CC1=C(C)C(CC)=C(N(C)C)N2C1=NC3=C2C=CC=C3,0.0
30467,CO-ADD:0155711,6.19,N#CC1=C(C)C(/C=N/C2=CC(Cl)=CC=C2O)=C(O)N3C1=NC4=CC=CC=C34,0.0
30468,CO-ADD:0155719,6.19,O=CC1=C(C)N(CC2=CC=CC=C2)C3=CC=CC=C31,0.0
30469,CO-ADD:0155303,6.19,S=C(N(CC)CC)OC1=CC=CC(C(NC2=CC(C=CC=C3)=C3C=C2)=O)=C1,0.0
30470,CO-ADD:0155024,6.19,NC1=C(C(C(C=C2)=CC=C2Cl)=O)SC3=NC(C4=CC=CC=C4)=CC(C(F)(F)F)=C13,0.0
30471,CO-ADD:0159810,6.19,BrC1=CC=CC(N(C(C(C=CC=C2)=C2OC)C3)N=C3C4=CC=C(Br)C=C4)=C1,0.0
30472,CO-ADD:0159821,6.19,ClC1=C(C=CC=C1)C(C2)N(C3=CC=CC=C3Br)N=C2C4=CC=C(Cl)C=C4,0.0
30473,CO-ADD:0161479,6.19,C(=C\c(cc1)ccc1N(C)C)(/C(=O)OC(O2)(C)C)\C2=O,0.0
30474,CO-ADD:0160288,6.19,O=C(COC(C(Br)=C1)=CC=C1C)N/N=C/C2=CC(Br)=C(OC)C=C2,0.0
30475,CO-ADD:0156003,6.19,O=C(C1)OC(C=C(O)C=C2)=C2C1C3=CC=CC=C3,0.0
30476,CO-ADD:0160682,6.19,O=C(N/N=C/C1=CC(OCO2)=C2C=C1)CSC3=CC=C4C(C=CC=C4)=N3,0.0
30477,CO-ADD:0155776,6.19,O=C1NC2=CC=CC=C2OC3=NC=CC=C31,0.0
30478,CO-ADD:0156298,6.19,S=C(OC1=CC=C(C=C1)C(NC2=C(C)C(C)=CC=C2)=O)NC3=CC(C=CC=C4)=C4C=C3,0.0
30479,CO-ADD:0155842,6.19,O=C(C(C=C1)=CC=C1C(NC2=CC=C(C=C2)C(O)=O)=O)NC3=CC=C(C=C3)C(O)=O,0.0
30480,CO-ADD:0155896,6.19,N#CC([C@H](C1=CC=CC=C1C(F)(F)F)[C@]2([H])C3=CCN(CC4=CC=CC=C4)C2)(C#N)C(N)=C3C#N,0.0
30481,CO-ADD:0155152,6.19,O=C(/C=C/C1=CC2=C(C=C1)N(CC)C3=C2C=CC=C3)C4=CC=CS4,0.0
30482,CO-ADD:0155467,6.19,N#CC(C(NC1=O)=O)=C(C)C1=CC2=C(O)N(N=C2C)C3=CC=C(C)C=C3,0.0
30483,CO-ADD:0214994,6.19,C(O\N=C\C=N\OC(=O)Nc1ccc(cc1Br)Br)(=O)Nc2ccc(cc2Br)Br,0.0
30485,CO-ADD:0217515,6.19,n1c2c(oc1c(cc3)ccc3C(C)(C)C)ccc(c2)\N=C\c(cc(Br)cc4Cl)c4O,0.0
30486,CO-ADD:0157951,6.19,[O-][N+](C1=CC(C(OC2=CC(/C=N/C3=CC=CC=C3)=CC=C2)=O)=CC([N+]([O-])=O)=C1)=O,0.0
30487,CO-ADD:0157999,6.19,[O-][N+](C1=CC=C2N=C(SCC(OCC=C)=O)OC2=C1)=O,0.0
30488,CO-ADD:0158271,6.19,[O-][N+](C1=CC(C2=CC=C(/C=N/NC(C3=CC4=CC=CC=C4C=C3O)=O)O2)=CC=C1)=O,0.0
30489,CO-ADD:0155009,6.18,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C3=CC(OC4=CC=CC=C4)=CC=C3,0.0
30490,CO-ADD:0155057,6.18,O=C(CN1CCOCC1)NC2=NN=C(C(C)C)S2,0.0
30491,CO-ADD:0155241,6.18,O=C(C)C1=C(C)N[B-](C2=CC=CC=C2)(C3=CC=CC=C3)[NH+]=C1C(F)(F)F,0.0
30492,CO-ADD:0155050,6.18,[O-][N+](C(C(C1=CC=CO1)NC2C3=CC=CO3)=NN2C4=CC=CC=C4)=O,0.0
30493,CO-ADD:0157355,6.18,BrC1=CC=C(O)C(/C=N/C2=CC(C)=CC(C)=C2)=C1,0.0
30494,CO-ADD:0158491,6.18,[O-][N+](C1=CC=C(C(/C=N/NC(CNC(C=CC=C2)=C2C)=O)=C1)N3CCCC3)=O,0.0
30495,CO-ADD:0160666,6.18,O=C(N/N=C/C1=CC=CS1)C(NC2=C(C)C=CC=C2C)=O,0.0
30496,CO-ADD:0155460,6.18,O=C(N/N=C/C1=CNC2=C1C=CC=C2)C3=CC(Br)=CN=C3,0.0
30497,CO-ADD:0158633,6.18,O=C(C1=C2C=CC=C1[N+]([O-])=O)N(C(C=C3)=CC=C3C(OCCCCC)=O)C2=O,0.0
30498,CO-ADD:0158641,6.18,O=C(C(C=CC=C1)=C1C)NC2=NC=C(Cl)C=C2,0.0
30499,CO-ADD:0155517,6.18,OC1=CC=C(C=C1)/C=N\NC2=NC(C(C=C3)=CC=C3OC)=CS2.Br,0.0
30500,CO-ADD:0155539,6.18,[O-][N+](C1=CC(Cl)=C(C(Cl)=C1)N/C=C2C(N(C3=CC=CC(Cl)=C3)N=C/2C)=O)=O,0.0
30501,CO-ADD:0154892,6.18,[O-][N+](C1=C(OC2=CC=CC=C2)C([N+]([O-])=O)=C(OC3=CC=CC=C3)C([N+]([O-])=O)=C1)=O,0.0
30502,CO-ADD:0155884,6.18,O=C(C=CC1=O)N(N1)[C@@H](C2)[C@@H](CO3)O[C@@H]3C2=O,0.0
30503,CO-ADD:0155108,6.18,NC1=C(C(C2=CC=C(C)C=C2)=O)SC3=C1C(C(F)(F)F)=CC(C)=N3,0.0
30504,CO-ADD:0155935,6.18,O=C(NC1=CC=C(F)C=C1)CSC2=NC(C=C3)=C(C=C3OCC)S2,0.0
30505,CO-ADD:0155087,6.18,N#CC1(C#N)[C@@]2([H])N([C@@H](C(C3(C[C@H]4C5)CC5CC(C4)C3)=O)[C@@H]1C6=CC=C(OCC)C=C6)C=CC7=C2C=CC=C7,0.0
30506,CO-ADD:0155367,6.18,O=S(NC1=CC(C)=CC=C1)(C(C=C2)=CC=C2NC(C)=O)=O,0.0
30507,CO-ADD:0217762,6.18,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c(cc3)ccc3Br)NC(c4ccccc4)=O,0.0
30508,CO-ADD:0215187,6.18,c1(c(ccc(c1)[N+](=O)[O-])Nc(cccc2C(OCCCC)=O)c2)[N+](=O)[O-],0.0
30509,CO-ADD:0215211,6.18,c1(N(CC2)CCN2CCNc(nc(N\N=C\c(c(Cl)ccc3[N+](=O)[O-])c3)nc4Nc(cccc5C(F)(F)F)c5)n4)nc(N\N=C\c(c(Cl)ccc6[N+](=O)[O-])c6)nc(Nc(cccc7C(F)(F)F)c7)n1,0.0
30510,CO-ADD:0215171,6.18,C(=O)(Oc(ccc(c1C)C)c1)Nc2ccc(cc2Br)Br,0.0
30511,CO-ADD:0214995,6.18,[N+](=O)([O-])c(cc1)ccc1c2ccc(cc2)NC(=O)Nc(cc3)ccc3I,0.0
30512,CO-ADD:0215046,6.18,C1(C(OCC)=O)=C(NC(=S)NC(c2ccccc2)=O)c3c(cccc3)CC14CCCC4,0.0
30513,CO-ADD:0154579,6.18,N=C([C@@]([C@H]1C2=CC=C(C=C2)[N+]([O-])=O)(Br)C#N)OC3=C1C(C=CC=C4)=C4C=C3,0.0
30514,CO-ADD:0154578,6.18,Br[C@@](/C(OC1=C2C(C=CC=C3)=C3C=C1)=N/Br)([C@H]2C4=C(C=CC=C4)OC)C#N,0.0
30515,CO-ADD:0156605,6.18,NC(C(O)=O)CC1=CC=C(C(F)=C1)F.OC(C(F)(F)F)=O,0.0
30516,CO-ADD:0156607,6.18,NC(C(O)=O)CC1=C(C=CC=C1)I.OC(C(F)(F)F)=O,0.0
30517,CO-ADD:0157507,6.18,OC1=CC=CC=C1/C=N/C2=CC=C(C=C2)C3=NC4=C(C=CC=C4)C(C5=CC=C(C=C5)C6=NC(C(C=C7)=CC=C7/N=C/C8=CC=CC=C8O)=NC9=C6C=CC=C9)=N3,0.0
30518,CO-ADD:0157344,6.18,O=C(COC(C(Br)=C1)=CC=C1C)N/N=C/C2=CC=C(C=C2)OC(/C=C\C3=CC=CO3)=O,0.0
30519,CO-ADD:0157535,6.18,[O-][N+](C1=CC=C(C(Cl)=C1)C(NC2=CC(OC3=C4C=CC=C3)=C4C=C2OC)=O)=O,0.0
30520,CO-ADD:0157763,6.18,[O-][N+](C1=CC=C(C(/C=N/NC(C2=CC=C(Br)C=C2)=O)=C1)F)=O,0.0
30521,CO-ADD:0157923,6.18,O=C(COC1=CC=CC=C1)N/N=C/C2=C(OCCC)C=CC(Br)=C2,0.0
30522,CO-ADD:0157216,6.18,O=C(C1=C2C=CC=C1)C(N3CCN(C)CC3)=C(N)C2=O,0.0
30523,CO-ADD:0148805,6.18,c1(n2nncc2c3cc(OC)c(OC)c(OC)c3)c(n4cccc4)non1,0.0
30524,CO-ADD:0148629,6.18,COc(c1c2OCO1)c(\C=C\C(c3ccc(OCC)cc3)=O)cc2OC,0.0
30525,CO-ADD:0149353,6.18,c(OC)(c(OC)c(OC)cc1C2=C(c(cc3)ccc3OC)C\C(=C\c(c4)ccc(N(C5)CCOC5)c4)\C2=O)c1,0.0
30526,CO-ADD:0149377,6.18,c(c(c(c(cc1)ccc1OC)c(N)[nH]2)n2)(c3OC)cc(OCO4)c4c3OC,0.0
30527,CO-ADD:0149024,6.18,c(cc(c1c2)nc(n1CC(NCc3ccc(F)cc3)=O)c(no4)c(N)n4)c2,0.0
30528,CO-ADD:0162426,6.18,[N+](=O)([O-])c1c(C)ccc(c1)\N=C\c(cc2)ccc2OC(c3ccccc3)=O,0.0
30529,CO-ADD:0162762,6.18,C(F)(F)(F)c(cccc1NC(=O)C(NCCCCCC)=O)c1,0.0
30530,CO-ADD:0162915,6.18,c1(NC(c2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
30531,CO-ADD:0162012,6.18,c1(C#N)c(C)cc(nc1SCC(=O)Nc2ccc(cc2C)C)C,0.0
30532,CO-ADD:0161844,6.18,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(CNC(=O)c2ccccc2Br)=O)c1,0.0
30533,CO-ADD:0161860,6.18,c1(N(CC2)CCO2)nc(N\N=C\c(cc(Br)cc3Br)c3O)nc(Nc(cccc4C(F)(F)F)c4)n1,0.0
30534,CO-ADD:0162806,6.17,[N+](=O)([O-])c1cc(ccc1C)\C=N\NC(=O)C(=O)Nc2ccccc2OC(F)(F)C(F)F,0.0
30535,CO-ADD:0162493,6.17,c(c1C)(c(C)[nH]n1)Sc2ccccc2\N=C\C=C\c3ccco3,0.0
30536,CO-ADD:0162509,6.17,N1(C(=O)C=CC1=O)NC(=O)c2ccccc2[N+](=O)[O-],0.0
30537,CO-ADD:0154318,6.17,NC1=C2C(CCCC2)=NC3=C1C(C4=CC(OC)=CC=C4)C5=C(O3)C=CC6=C5C=CC=C6,0.0
30538,CO-ADD:0162943,6.17,C(=O)(N\N=C\c1cccc(Br)c1)C(=O)Nc2c(CC)cccc2CC,0.0
30539,CO-ADD:0161810,6.17,[N+](=O)([O-])c1cccc(\C=N\Nc(nc(Nc(cc2)ccc2[N+](=O)[O-])nc3Nc(cc4)ccc4OC)n3)c1OC,0.0
30540,CO-ADD:0161398,6.17,n1(cnc(c(ncn2)O)c12)C3OC(C(O)C3O)CO,0.0
30541,CO-ADD:0161230,6.17,c1(N(CC2)CCO2)nc(c3ccccc3)nc(c4c(cccc4)CC56CCCC5)c16,0.0
30542,CO-ADD:0162955,6.17,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c3cccc(O)c3,0.0
30543,CO-ADD:0161790,6.17,c1(\C=N\NC(COc(cc2)ccc2CCCC)=O)c(O)ccc(cccc3)c13,0.0
30544,CO-ADD:0163003,6.17,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\C=C\c3ccccc3,0.0
30545,CO-ADD:0161371,6.17,c1(SC(C)C(OCC)=O)nc(c2cccs2)cc(c3cccs3)c1C#N,0.0
30546,CO-ADD:0149785,6.17,NC1=C2C(CCCC2)=NC(C1=C3)=NC(OC)=C3C#N,0.0
30547,CO-ADD:0153047,6.17,NC1=C(CNC2=CC=C(C(F)(F)F)C=C2)C=NC(C)=N1,0.0
30548,CO-ADD:0149581,6.17,NC(N=C(N(CC#C)C)N=C1)=C1C#N,0.0
30549,CO-ADD:0153052,6.17,NC1=C(CN2N=NC(CCNS(=O)(C3=CC=C(C)C=C3)=O)=C2)C=NC(C)=N1,0.0
30550,CO-ADD:0163405,6.17,c1(c(OC)cc(c(\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c1)OC)[N+](=O)[O-],0.0
30551,CO-ADD:0163414,6.17,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(=O)c(cccn3)c3)o1,0.0
30552,CO-ADD:0163706,6.17,c1(sc(c2n1)cccc2)Sc3ccc(\C=N\NC(=O)c(cccc4[N+](=O)[O-])c4)o3,0.0
30553,CO-ADD:0163738,6.17,C(O)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
30554,CO-ADD:0163969,6.17,C(=O)(C\C(\C)=N\NC(OCc(cc1)ccc1OC)=O)Nc2c(OC)ccc(OC)c2,0.0
30555,CO-ADD:0163446,6.17,c1(c(O)c(\C=N\NC(=O)c(ccc(c23)OCCO2)c3)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
30556,CO-ADD:0162895,6.17,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)CCSc(cc3)ccc3Cl,0.0
30557,CO-ADD:0162406,6.17,n1(\N=C\c(cccc2[N+](=O)[O-])c2)c(CCl)nnc1CCl,0.0
30558,CO-ADD:0161807,6.17,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O)o2)c1,0.0
30559,CO-ADD:0161815,6.17,c(Nc(cc1)ccc1OC)(nc(N\N=C\c(cc(Br)cc2Br)c2OC)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
30560,CO-ADD:0161360,6.17,C(C(OCC)=O)(C1c2ccccc2)=C(CSc3nc(C)cc(C)c3C#N)OC(N)=C1C#N,0.0
30561,CO-ADD:0163001,6.17,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c2ccccc2Cl,0.0
30562,CO-ADD:0149244,6.17,s(cc1)cc1C(CC(=O)N2)c(snc3c4ccc(cc4)OC)c23,0.0
30563,CO-ADD:0149260,6.17,COc(c(OC)cc(c(c(c(n1)c2)cc(c2O3)OC3)c(c1C4)C(O4)=O)c5)c5,0.0
30564,CO-ADD:0149425,6.17,c(C1c(c2N)c(nc(N)c2C#N)Oc(cc3O)c1cc3)(cc4)ccc4OC,0.0
30565,CO-ADD:0149795,6.17,NC1=C2C(CCCC2)=NC(C1=C3C4=CC=CC=C4)=NC(N(C)C)=C3C#N,0.0
30566,CO-ADD:0149619,6.17,OC1=CC=C(NC(NCC=C)=C2C#N)C2=C1,0.0
30567,CO-ADD:0153092,6.17,O=C(NC1=CN(C)C(C(NC2=CN(C)C(C(NCCN3CCOCC3)=O)=C2)=O)=C1)C4=NC=C(C=CC=C5)C5=C4.OC(C(F)(F)F)=O,0.0
30569,CO-ADD:0149817,6.17,CC1=C(C(C2=CN=CC=C2)C(C#N)=C(N)O1)C(OCC)=O,0.0
30570,CO-ADD:0163942,6.17,[N+](=O)([O-])c1ccccc1C(=O)Nc2cccc(Cl)c2C,0.0
30571,CO-ADD:0163759,6.17,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C\c(cc2)ccc2C(C)C,0.0
30572,CO-ADD:0163500,6.17,C(=O)(Oc1ccc(cc1\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3)Br)c4ccco4,0.0
30573,CO-ADD:0163404,6.17,c1(c(OC)cc(c(\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c1)OC)[N+](=O)[O-],0.0
30574,CO-ADD:0163912,6.17,c1(sc2c(ccc(C)c2)n1)NC(=O)c3ccco3,0.0
30575,CO-ADD:0163440,6.17,C(CNc1ccccc1C)(=O)N\N=C\c2cccc(cccc3)c23,0.0
30576,CO-ADD:0161432,6.17,n1c(c2ccc(cc2)Cl)csc1Nc(cc3)ccc3OC.Br,0.0
30577,CO-ADD:0162949,6.17,N1(\N=C\c2c3c(cccc3)cc(cccc4)c24)C(=O)c5c(c6C1=O)c(c(CC7)cc5)c7cc6,0.0
30578,CO-ADD:0161792,6.17,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2c(Br)cc(cc2Br)C)=O)O)c1,0.0
30579,CO-ADD:0163013,6.17,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(=O)C(O)c3ccccc3)[N+](=O)[O-],0.0
30580,CO-ADD:0162353,6.17,C(=O)(Nc(cc1)ccc1C(=O)Nc2ccccc2)c3ccccc3Br,0.0
30581,CO-ADD:0163212,6.16,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3cccc(C)c3O,0.0
30582,CO-ADD:0149265,6.16,COc(c(c(O1)cc2C(C(C(N3c(ccc4)cc4)(Nc(ccc5)cc5)C6)C(O6)=O)C(=C3C7)C(O7)=O)OC1)c2,0.0
30583,CO-ADD:0149392,6.16,c(OC)(c(OC)c1)c(OC)c2c1C(=O)CC2c3ccc(OC)cc3,0.0
30585,CO-ADD:0149228,6.16,c1cc2c(cc1)NC(c3cc(OCO4)c4cc3)N(c(c5)cc(OCO6)c6c5)C2=O,0.0
30586,CO-ADD:0137872,6.16,O=C(C1)NC(N2C3=NC4=C(N3)C=CC=C4)=C(C(C)=N2)C1C5=CC(OC)=C(O)C(OC)=C5,0.0
30587,CO-ADD:0149432,6.16,c(cc1O)(OC(N)=C(C#N)C2c(c(OC)c3OC)cc(OC)c3OC)c2cc1,0.0
30588,CO-ADD:0149820,6.16,CC1=NC(N)=C(C(C2=CC=CS2)=C1C(OCC)=O)C#N,0.0
30589,CO-ADD:0149646,6.16,CC1=C(C(C2=CC(OC)=CC=C2)C3=C(N=C(CCCC4)C4=C3N)N1)C(OCC)=O,0.0
30590,CO-ADD:0149651,6.16,NC1=C2C(CCCCCC2)=NC3=C1C(C4=CC=C(C=C4)OC)=C(C(C)=N3)C(OCC)=O,0.0
30591,CO-ADD:0153116,6.16,CN1C=C(NC(C2=CC(NC(N)=N)=CN2C)=O)C=C1C(NC3=CN(C)C(C(NCCCN(C)C)=O)=C3)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
30592,CO-ADD:0149591,6.16,C#CCNC1=NN=C(Cl)C=C1,0.0
30593,CO-ADD:0163456,6.16,c(\C=N\NC(=O)c(ccc(c12)OCCO1)c2)(cc(I)cc3I)c3O,0.0
30594,CO-ADD:0163379,6.16,N(=C(/C)\c1ccc(c2c1)CCCC2)/NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
30595,CO-ADD:0163420,6.16,c1(c2ccc(cc2)I)ccc(\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O)o1,0.0
30596,CO-ADD:0163752,6.16,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)C(=O)Nc(cc3)ccc3C(C)C,0.0
30597,CO-ADD:0163917,6.16,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(cc(Br)cc3Br)c3O,0.0
30598,CO-ADD:0163941,6.16,N1(c2cccc(cccc3)c23)C(=O)c(c4C1=O)cc(c5c4)cccc5,0.0
30599,CO-ADD:0163409,6.16,c1(c(Br)cc(cc1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)Br)OC(=O)c3ccco3,0.0
30600,CO-ADD:0163697,6.16,C(F)(F)(COc(cc1)ccc1\N=C\c(cc(Cl)cc2Cl)c2O)C(F)F,0.0
30601,CO-ADD:0163313,6.16,[N+](=O)([O-])c(cccc1C(=O)NNC(=O)c2ccc(cc2)OCCOCCOc(cc3)ccc3C(=O)NNC(=O)c(cccc4[N+](=O)[O-])c4)c1,0.0
30602,CO-ADD:0163834,6.16,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3C,0.0
30603,CO-ADD:0163168,6.16,c(cc(Br)cc1Br)(\C=N\c(ccc(c2Cl)OC)c2)c1O,0.0
30604,CO-ADD:0163792,6.16,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3[N+](=O)[O-])c4ccccc4OC,0.0
30605,CO-ADD:0149256,6.16,COc(ccc(CC(=C(Nc1ccc(c(O2)c1)OC2)C3)C(O3)=O)c4)c4,0.0
30606,CO-ADD:0149272,6.16,COc(c(c(O1)cc2C(c(c3N4)cc(c(O5)c3)OC5)C(=C4C6)C(O6)=O)OC1)c2,0.0
30607,CO-ADD:0149498,6.16,c(c(C(C(C(OC)OC)c(c1OC)cc(OC)c2c1OCO2)=O)c3Br)c(OC)c(OC)c3,0.0
30608,CO-ADD:0149522,6.16,COc(c(OC=C(c(cc1)cc(OC)c1OC)C2=O)c2cc3OC)c3OC,0.0
30609,CO-ADD:0148838,6.16,C1(C#N)=C(N)Oc(c2C1c(cc3OC)cc(c3OC)OC)ccc(cccc4)c24,0.0
30610,CO-ADD:0137875,6.16,O=C1CC(C(C(C)=N2)=C(N1)N2C3=NC4=C(N3)C=CC=C4)C5=CC(OCO6)=C6C=C5,0.0
30611,CO-ADD:0149808,6.16,CC1=C(C(C2=CC=C(C=C2)OC)C(C#N)=C(N)N1)C(OCC)=O,0.0
30612,CO-ADD:0149657,6.16,C#CCNC(C(C#N)=C1)=NC(NCCCC2CCN(CC3=CC=CC=C3)CC2)=C1C#N.Cl,0.0
30613,CO-ADD:0148584,6.16,O=C(C1=CC(OC)=CC=C1OC)/C=C/C2=CC=C(O)C=C2,0.0
30614,CO-ADD:0163973,6.16,C(OCc(cc1)ccc1OC)(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Cl,0.0
30615,CO-ADD:0163776,6.16,c1(cc(ccc1O)Cc(ccc(c2\C=N\c3ccccc3CC)O)c2)\C=N\c4ccccc4CC,0.0
30616,CO-ADD:0162587,6.16,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc2cccc(C)n2)c1,0.0
30617,CO-ADD:0162664,6.16,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCc3cccc(Br)c3)c4cccs4,0.0
30618,CO-ADD:0162723,6.16,N(c(cc1)ccc1\N=C\c(ccc(c2OC)OC)c2)=Nc3ccccc3,0.0
30619,CO-ADD:0162179,6.16,c1(N2CCCC2)nc(N\N=C/c(cc3)ccc3[N+](=O)[O-])nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
30620,CO-ADD:0163189,6.16,c1(ccc(C(=O)Oc2cccc(c2)\C=N\NC(COc(ccc(c3C)C)c3)=O)o1)[N+](=O)[O-],0.0
30621,CO-ADD:0163412,6.16,C1(COc(c2O1)cccc2)C(=O)N\N=C\c3cc(Br)ccc3OC(=O)c4ccco4,0.0
30622,CO-ADD:0163183,6.15,s1c(N)nnc1CC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2,0.0
30623,CO-ADD:0163131,6.15,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c1,0.0
30624,CO-ADD:0163411,6.15,c1(\C=N\NC(COc2ccc(cc2Br)Cl)=O)cc(Cl)ccc1OC,0.0
30625,CO-ADD:0137899,6.15,COC1=CC(C2C(C#N)=C(N)OC3=NNC(COC)=C23)=C(OC)C4=C1OCO4,0.0
30626,CO-ADD:0137846,6.15,NC1=C(C(C2=CC(OCO3)=C3C=C2)=O)N(CCC4)C4=N1,0.0
30627,CO-ADD:0149201,6.15,C(C(OCC)=O)(C1C)=NOC1c(cc(c(OCO2)c23)OC)c3OC,0.0
30629,CO-ADD:0149450,6.15,c(c(C)nn1C)(C(CC(N2)=O)c(cc3OC)cc(c3O)OC)c12,0.0
30631,CO-ADD:0147066,6.15,[Re]1(C#[O+])(C#[O+])([N+]2=CC(CCl)=CC=C2)([N+]3=C(C4=CC=CC=[N+]41)C=CC=C3)C#[O+].F[P-](F)(F)(F)(F)F,0.0
30632,CO-ADD:0162291,6.15,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O,0.0
30633,CO-ADD:0162211,6.15,c1(N2CCCC2)nc(N\N=C\c(c(OC)ccc3[N+](=O)[O-])c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
30634,CO-ADD:0162315,6.15,c1(ccc(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)o1)c3cc(Cl)ccc3Cl,0.0
30635,CO-ADD:0162235,6.15,c1(N(CC2)CCN2C)nc(N\N=C\c3cc(I)ccc3O)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
30636,CO-ADD:0162347,6.15,C(F)(C(F)(F)F)(C(=O)Nc(cc1)ccc1C(N)=O)OC(F)(F)C(F)(F)C(F)(F)F,0.0
30637,CO-ADD:0162688,6.15,C(C1)(C2c3ccccc3)=C(OC(N)=C2C#N)\C(\CN1C(C)C)=C\c4ccccc4,0.0
30638,CO-ADD:0163699,6.15,N1(CN2CCC(CC2)Cc3ccccc3)c(cccc4)c4\C(=N\c(cc5)ccc5CC)\C1=O,0.0
30639,CO-ADD:0163123,6.15,C1(C(OCC)=O)=C(C)NC(NC1c2ccccc2OC(C)=O)=O,0.0
30640,CO-ADD:0163407,6.15,c1(c(OC)cc(c(\C=N\NC(CNC(=O)c2ccccc2Br)=O)c1)OC)[N+](=O)[O-],0.0
30641,CO-ADD:0163022,6.15,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3ccccc3F,0.0
30642,CO-ADD:0163174,6.15,N1(c2ccccc2)C(=O)C(CC1=O)Sc(cc3)ccc3Br,0.0
30643,CO-ADD:0163190,6.15,C(=O)(Oc1ccc(cc1\C=N\NC(CNc(cc2)ccc2C)=O)Br)c3ccccc3Cl,0.0
30644,CO-ADD:0149380,6.15,c1(ncn2c3ccc(cc3)F)c2C(CC(=O)N1)c(cc4OC)cc(c4O)OC,0.0
30645,CO-ADD:0148995,6.15,c1(sc(c2n1)CCCC2)NC(=O)C(=O)c3c4c([nH]c3)cccc4,0.0
30646,CO-ADD:0148651,6.15,c1(c2OC)c(OCO1)c(cc2CC(C)Cl)OC,0.0
30647,CO-ADD:0148666,6.15,c12c(C(CC(=O)N1)c3ccc(Cl)cc3)snc2c4cccc(F)c4,0.0
30649,CO-ADD:0147076,6.15,F[B-](F)(F)F.[Re]1(C#[O+])(C#[O+])([N+]2=CC=CC=C2)([N+](C=CC=3)=c4c3c(nc(cccc5)c5n6)c6c7c4[N+]1=CC=C7)C#[O+],0.0
30650,CO-ADD:0162657,6.15,C1(C#N)(C#N)[C@@H](c2ccc(cc2)F)[C@]([H])(C3)C(C(C#N)=C1N)=CCS3,0.0
30651,CO-ADD:0162713,6.15,N1(c2ccc(cc2)Br)C(=O)c3c(c(ccc4Nc5ccccc5Cl)C1=O)c4ccc3,0.0
30652,CO-ADD:0162177,6.15,c1(N2CCCC2)nc(N\N=C/c3ccccc3OC)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
30653,CO-ADD:0162566,6.15,c12c(c(nn1c3ccccc3)C)cc(C(=O)Nc(cccc4C(F)(F)F)c4)s2,0.0
30654,CO-ADD:0162308,6.15,C(=O)(N\N=C\c(ccc(c12)cccc1)c2)CCOc3cccc(Br)c3,0.0
30655,CO-ADD:0162597,6.15,c1(C#N)c(C)c(C)c(nc1SCC(=O)NC(C)(C)C)C,0.0
30656,CO-ADD:0161849,6.15,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)F)c1,0.0
30657,CO-ADD:0161890,6.15,n(c1c2cccc1)c(c3ccc(cc3)I)c(n2)c4ccc(cc4)I,0.0
30658,CO-ADD:0161712,6.15,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(ccc2c3ccc(cc3Cl)Cl)o2,0.0
30659,CO-ADD:0161864,6.15,c(\C=N\NC(CNc(cc1)ccc1C)=O)(c2c([nH]3)cccc2)c3,0.0
30660,CO-ADD:0161649,6.15,c1(\C=N\NC(COc(cc2)ccc2F)=O)cc(Br)ccc1OCC,0.0
30661,CO-ADD:0161961,6.15,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c2ccccc2OCc3cccc(Br)c3,0.0
30662,CO-ADD:0149010,6.15,c(OC)(cc(ccn(c(n1)C)c2c1c3ccc(OC)c(OC)c3)c24)c(c4)OC,0.0
30663,CO-ADD:0148894,6.15,[N+](=O)([O-])c1cc(cc2c1cc[nH]2)[N+](=O)[O-],0.0
30664,CO-ADD:0149296,6.15,c(cc1)(NC2=C(C(=O)OC2)C3c(cc4OC)cc(OCO5)c45)c3cc1OC,0.0
30666,CO-ADD:0148663,6.15,c(cc1)c(C(CC(=O)N2)c(snc3c4ccc(F)cc4)c23)cc1Cl,0.0
30667,CO-ADD:0149747,6.15,N=C(N(C(CN1)=C)C1=C2C#N)C(C#N)=C2C3=CC=CC=C3,0.0
30668,CO-ADD:0149714,6.14,NC(C(C#N)=C1C2=CC=CC=C2)=NC(NC3CCN(CC4=CC=CC=C4)CC3)=C1C#N,0.0
30669,CO-ADD:0162321,6.14,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(Cc3ccccc3)=O)o1,0.0
30670,CO-ADD:0162237,6.14,C(=N/Nc(nc(Nc1cccc(Br)c1)nc2N(CC3)CCO3)n2)(/c4c(N5)cccc4)\C5=O,0.0
30671,CO-ADD:0162718,6.14,C1(C(c2ccccc2)C3C(=O)CC(CC3=O)(C)C)=C(O)CC(C)(C)CC1=O,0.0
30672,CO-ADD:0162190,6.14,n1n(CCC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)c3c(cccc3)n1,0.0
30673,CO-ADD:0162586,6.14,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(cc4Cl)Cl,0.0
30674,CO-ADD:0161895,6.14,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(C)c2)=O)N(CC3)CCO3)c1,0.0
30675,CO-ADD:0161963,6.14,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
30676,CO-ADD:0148695,6.14,c1(NC(=O)CC2c(cc(OC)c(c34)OCO3)c4OC)c2sc(N)n1,0.0
30677,CO-ADD:0148764,6.14,COc(c(O)c1)ccc1c([nH]c2c3cc(OC)c(OCO4)c4c3)nn2,0.0
30678,CO-ADD:0149121,6.14,c1(c2ccccc2NCc(cccn3)c3)nnc(Nc(ccc(c45)OCO4)c5)o1,0.0
30679,CO-ADD:0148761,6.14,COc(c(O)c1)ccc1c(oc2c3cc(OC)c(OC)c(OC)c3)nn2,0.0
30680,CO-ADD:0148777,6.14,c12c(C(CC(=O)N1)c3cccc(F)c3)snc2c4ccc(OC)cc4,0.0
30682,CO-ADD:0149843,6.14,BrC(/C(OC1=C2C=CC3=C1C=CC=C3)=NBr)(C2C4=CC=C(C=C4)[N+]([O-])=O)C#N,0.0
30683,CO-ADD:0149698,6.14,BrC1=CC=CN=C1NC(OC(C)(C)C)=O,0.0
30684,CO-ADD:0162610,6.14,C(C(OCC)=O)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3ccccc3Br,0.0
30685,CO-ADD:0162714,6.14,n1(c(c2)c(cc([N+](=O)[O-])c2[N+](=O)[O-])nc3Nc(cc4)ccc4Br)c3nnn1,0.0
30686,CO-ADD:0162567,6.14,N1(C(=O)c2c(C(C)=N1)cccc2)c3cc(ccc3[N+](=O)[O-])N4CCCC4,0.0
30687,CO-ADD:0162298,6.14,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3cc(C)ccc3C(C)C)=O)o1,0.0
30688,CO-ADD:0162202,6.14,c1(N2CCCC2)nc(N\N=C\c(c(O)ccc3[N+](=O)[O-])c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
30689,CO-ADD:0162311,6.14,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(ccc2c3ccc(cc3)Cl)o2,0.0
30690,CO-ADD:0137662,6.14,c1(non2)c2nc(Nc3cccc(Br)c3)c(Nc4c(OC)ccc(OC)c4)n1,0.0
30691,CO-ADD:0137664,6.14,C(c1cccc(F)c1)(Oc(ccc(c2)Cl)c2C3=O)=C3,0.0
30692,CO-ADD:0137724,6.14,Cn1c([N+](=O)[O-])cnc1C(=O)NCCc2ccc(C)cc2,0.0
30693,CO-ADD:0148751,6.14,c1(OC)ccc(C(=O)c2c(N)c(cc3)c(s2)nc3c(sc4)cc4)cc1OC,0.0
30694,CO-ADD:0148808,6.14,c1n[nH]c(c(cc(OC)c2c3OCO2)c3)c1c(ccc(OC)c4)c4,0.0
30695,CO-ADD:0148928,6.14,c12c(CCNC1c(cc3OC)cc(c3O)OC)cc(c(OCC)c2)OCC,0.0
30696,CO-ADD:0148888,6.14,C(C#N)(C(c1ccc(cc1)OC)c(ccc(c2)N)c2O3)=C3N,0.0
30697,CO-ADD:0148984,6.14,n1c(Nc(cc2)ccc2N)scc1c3cccs3,0.0
30698,CO-ADD:0148821,6.14,c(cc1c2c(c(cc3c(OCCO3)c4OC)c4)onc2)c(OC)cc1,0.0
30699,CO-ADD:0149700,6.14,BrC1=CN=C(C=C1)NC(OC(C)(C)C)=O,0.0
30700,CO-ADD:0149679,6.14,C#CCN(CC1=CC2=CC(OC)=CC=C2N1C)C,0.0
30701,CO-ADD:0149870,6.14,ClC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC(OC)=C(C=C4)OC)C#N,0.0
30702,CO-ADD:0154283,6.13,CC1=NN(C=N2)C(C3=C2N(C4=CC=CC=C4)N=C3)=N1,0.0
30703,CO-ADD:0162155,6.13,C1(C(OC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OC,0.0
30704,CO-ADD:0154458,6.13,C[N+](C)(C)CC1=CC2=CC(OC)=CC=C2N1C.[I-],0.0
30705,CO-ADD:0154486,6.13,O=C1OC(C2=CC=CC=C2)=NC31C(C4=CC=C(C=C4)[N+]([O-])=O)C3,0.0
30706,CO-ADD:0162538,6.13,C1(C(OCC)=O)=C(C)NC(NC1c(ccc2c3ccc(cc3Cl)[N+](=O)[O-])o2)=O,0.0
30707,CO-ADD:0162510,6.13,S(=O)(=O)(NCC(=O)NCC(O)=O)c1ccccc1[N+](=O)[O-],0.0
30708,CO-ADD:0137732,6.13,O=C(c1n(C)c([N+](=O)[O-])cn1)OC2CCCCC2,0.0
30709,CO-ADD:0137686,6.13,c1nnn(c2c(n(ccc3)c3)non2)c1c4ccc(F)cc4,0.0
30710,CO-ADD:0148949,6.13,c1(c2c([nH]c1)cccc2)C(=O)C(=O)N3CCCc(cccc4)c34,0.0
30711,CO-ADD:0148869,6.13,c1(nc(c2n1Cc3c(cccc3Cl)F)cccc2)c4nonc4N,0.0
30712,CO-ADD:0148862,6.13,c1(C(=O)c2ccc(c(OC)c2)OC)sc3c(c(C)cc(C)n3)c1N,0.0
30713,CO-ADD:0149102,6.13,c(c1)c([nH]2)c(c(C(=O)C(=O)Nc(cn3)ccc3)c2)cc1Br,0.0
30714,CO-ADD:0148874,6.13,C(C#N)(C(c1ccc(cc1)OC)c(ccc(c2)O)c2O3)=C3N,0.0
30715,CO-ADD:0148882,6.13,C1(C#N)=C(N)Oc2c(ccc(c2)O)C1c3ccccc3F,0.0
30716,CO-ADD:0148575,6.13,O=C(CC1=CC(OC)=CC=C1OC)NC2=CC=C(OC)C=C2OC,0.0
30718,CO-ADD:0161966,6.13,C(=O)(Nc(cc1)ccc1C)CCN(CC2)CCO2.Cl,0.0
30719,CO-ADD:0161878,6.13,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C(\C2)/CCCC2,0.0
30720,CO-ADD:0162377,6.13,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c4cccc(I)c4,0.0
30721,CO-ADD:0162889,6.13,C(N)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)=S,0.0
30722,CO-ADD:0162150,6.13,C1(O)(CC(c2ccccc2)=O)c3c(NC1=O)cccc3,0.0
30723,CO-ADD:0154350,6.13,N=C(C(C1C2=CC(OC)=CC=C2)(Br)C#N)OC3=C1C(C=CC=C4)=C4C=C3,0.0
30724,CO-ADD:0137623,6.13,c(C(c1ccccc1)=O)(sc(c23)nc(cc2C(F)(F)F)c4cccs4)c3N,0.0
30725,CO-ADD:0137630,6.13,c(C(=O)c1ccc(cc1)Cl)(c2N)sc3c2cc(c4n3)CCCC4,0.0
30726,CO-ADD:0137716,6.13,c(c(nc(NCc1cccs1)o2)n2)(c3N)non3,0.0
30727,CO-ADD:0149396,6.13,c(C(c(cc1OC)cc(OC)c1OC)=O)(c(N)n2)sc2NC,0.0
30728,CO-ADD:0149415,6.13,c(C1C(C#N)=C(N)Oc(cc2OC)c1cc2)(cc3OC)ccc3OC,0.0
30729,CO-ADD:0148684,6.13,c(OC1)(c(OC)cc2\C=C\C(\C=C\c3c(OC)c(OC4)c(O4)c(OC)c3)=O)c(O1)c2OC,0.0
30731,CO-ADD:0149350,6.13,COc(c(OC)cc(C(c(c1N2)cc3c(CCCC3)c1)C(=C2C4)C(O4)=O)c5)c5OC,0.0
30732,CO-ADD:0137907,6.13,COC1=C(/C=C/C(C2=CC=C(OCO3)C3=C2)=O)C=C(OC)C4=C1OCO4,0.0
30733,CO-ADD:0162532,6.13,N(CC1)(CCO1)c2ccc(cc2)\C=N\Nc3ccccc3OC,0.0
30734,CO-ADD:0154539,6.13,O=C(/C(C(OCC)=O)=C/C1=CC=CC=C1)C2=CC=CC=C2,0.0
30735,CO-ADD:0154489,6.13,O=C1OC(C2=CC=CC=C2)=N/C1=CC3=CC=C(C=C3)OC,0.0
30736,CO-ADD:0162485,6.13,N1C(CCCCC(=O)c2c1cccc2)=O,0.0
30737,CO-ADD:0162386,6.13,c1(ccc(C)o1)\C(\C)=N/NC(CNC(=O)c2ccc(c(OC)c2)OC)=O,0.0
30738,CO-ADD:0162475,6.13,N1(c2ccc(cc2)Cl)C(=O)\C(=C\NC(C)(CO)CO)\C(NC1=O)=O,0.0
30739,CO-ADD:0137644,6.13,c1(C(=O)NN=Cc2scc(Br)c2)nonc1N,0.0
30740,CO-ADD:0137646,6.13,c1(C(=O)NN=Cc2ccc(cc2Cl)Cl)nonc1N,0.0
30741,CO-ADD:0137648,6.13,c1(C(=O)NN=Cc(ccc2c3cccs3)s2)nonc1N,0.0
30742,CO-ADD:0148728,6.13,c(OCO1)(c(OC)cc2\C=C\C(C(C(=O)OC(C)=C3)=C3O)=O)c1c2OC,0.0
30743,CO-ADD:0148744,6.13,c1(n[nH]cc1c2ccc(cc2)OC)c3ccc(cc3O)OCC,0.0
30744,CO-ADD:0148792,6.13,c1(OC)c(OC)c2c(OCO2)c(C=C3c(ccc(OC)c4)c4)c1OC3=O,0.0
30746,CO-ADD:0148828,6.12,c(OC=C(c(c(OC)c1c(OCO1)c2OC)c2)C3=O)(c34)cc(OC)c(OC)c4,0.0
30747,CO-ADD:0154292,6.12,CC1=CC=C(C(O)SNNC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C=C1,0.0
30748,CO-ADD:0162946,6.12,c1(c(C)ccc(Cl)c1)NC(CSc(cc2)ccc2Sc(cc3)ccc3SCC(=O)Nc4c(C)ccc(Cl)c4)=O,0.0
30749,CO-ADD:0161765,6.12,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-])nc3Nc(cc4)ccc4OC)n3,0.0
30750,CO-ADD:0161378,6.12,N1(c2ccc(cc2Br)Br)N=C(C(C(OC)=O)C1C(OC)=O)c(cc3)ccc3[N+](=O)[O-],0.0
30751,CO-ADD:0161805,6.12,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c2ccccc2F)nc3Nc(cc4)ccc4OC)n3,0.0
30752,CO-ADD:0161182,6.12,N(/NC(CNC(=O)c1ccc(cc1)Cl)=O)=C(/C)\c2ccco2,0.0
30753,CO-ADD:0137720,6.12,c(Nc(cc1)ccc1OC)(non2)c2c3nc(NCc(cccn4)c4)on3,0.0
30754,CO-ADD:0137722,6.12,Cn1c([N+](=O)[O-])cnc1C(=O)NCc2ccc(OC(F)(F)F)cc2,0.0
30755,CO-ADD:0148844,6.12,C1(C(OC)=O)=C(C)NC(=S)NC1c(cc2)ccc2N(C)C,0.0
30756,CO-ADD:0148937,6.12,n1(nnc(C(OCC)=O)c1c(cc2OC)cc(c2OC)OC)c3nonc3N,0.0
30757,CO-ADD:0149162,6.12,c(cc(nc(s1)c2c(OC)cc(OC)cc2OC)c1c3)c3,0.0
30758,CO-ADD:0149178,6.12,c(OC1)(c(OC)cc2\C=C\C(=O)NCCO)c(O1)c2,0.0
30759,CO-ADD:0148963,6.12,c12c(cc(OC)cc1OC)OC(C(O)C2=O)c3ccc(c(OC)c3)OC,0.0
30760,CO-ADD:0148731,6.12,COc1c(c(c(c(c(c(c(n2)c3)cc(c3OC4)OC4)c(c2C5)C(O5)=O)c1)OC)OC6)O6,0.0
30761,CO-ADD:0162372,6.12,c1(OCC(=O)N\N=C\c(cc2OC)cc(c2OC)OC)c(Br)cc(cc1Br)C,0.0
30762,CO-ADD:0162116,6.12,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(cc3)O)c4c(C)nn(c5ccccc5)c4O,0.0
30763,CO-ADD:0162156,6.12,C1(C(OC)=O)=C(C)NC(NC1c(ccc(c23)OCO2)c3)=O,0.0
30764,CO-ADD:0162856,6.12,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
30765,CO-ADD:0162768,6.12,N(C(c1ccccc1)C(=O)OCc2ccccc2)C(c3ccccc3)=O,0.0
30766,CO-ADD:0137693,6.12,Cc1cc(c(cccc2)c2NC(=O)C)nc(c1c3)ccc3,0.0
30767,CO-ADD:0246074,6.12,[N+](=O)([O-])c(cc(Oc(cc1)ccc1CCC(NCCOC)=O)cc2[N+](=O)[O-])c2,0.0
30768,CO-ADD:0241573,6.12,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)NC(=O)c5ccccc5F,0.0
30769,CO-ADD:0241725,6.12,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c(cccc2C(F)(F)F)c2,0.0
30770,CO-ADD:0245706,6.12,N1(c2cccc(C)c2)C(=O)C(CC1=O)NCc(cc3)ccc3S(N)(=O)=O,0.0
30771,CO-ADD:0245973,6.12,c1(Nc2ccccc2)nc(NC)nc(N\N=C\c(cc3Br)cc(c3O)Br)n1,0.0
30772,CO-ADD:0245375,6.12,C1(NC(=O)CN(c2ccc(cc2)C)S(=O)(=O)c3ccc(cc3)C)=C(C)N(N(c4ccccc4)C1=O)C,0.0
30773,CO-ADD:0241429,6.12,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(cc3)ccc3F)n1,0.0
30774,CO-ADD:0244972,6.12,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)\N=C\c(cc(I)cc4I)c4O)n1,0.0
30775,CO-ADD:0244274,6.12,c1(ccc(cc1Cl)Cl)\C=N\c(ccc(c2C)C)c2,0.0
30776,CO-ADD:0241763,6.12,C12(c3c(NC1=O)cccc3)C(C(OCC)=O)=C(C)OC(N)=C2C(=O)OCc4ccccc4,0.0
30777,CO-ADD:0245457,6.12,c1(N(C)C)nc(N\N=C\c2ccccc2O)nc(Nc(cc3)ccc3F)n1.Cl,0.0
30778,CO-ADD:0240978,6.12,S(c1ccccc1)(=O)(=O)N(CC(NCCCCCCNC(=O)CN(c2c(OC)ccc(OC)c2)S(c3ccccc3)(=O)=O)=O)c4c(OC)ccc(OC)c4,0.0
30779,CO-ADD:0237123,6.12,CC(C)C(NC(=O)Cc1cccc2ccccc12)C(=O)Nc3cccc(c3)C#N,0.0
30780,CO-ADD:0232945,6.12,S(=O)(=O)(NCc1ccco1)c2ccccc2[N+](=O)[O-],0.0
30781,CO-ADD:0236736,6.12,c12n(ncn1N)c(nn2)SCC(=O)Nc(ccc(c34)oc(c5ccc(cc5)CC(CSc6nnc7n6ncn7N)=O)n3)c4,0.0
30782,CO-ADD:0241323,6.11,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(ccs4)c4,0.0
30783,CO-ADD:0245826,6.11,C(=C/c(cc1)ccc1N(CC)CC)(/C2=O)\Sc(c23)cccc3,0.0
30784,CO-ADD:0241731,6.11,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccc(cc3F)F.C(=O)O,0.0
30785,CO-ADD:0246056,6.11,n1(nnc(C(=O)N\N=C\c(cc2)ccc2Cl)c1c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
30786,CO-ADD:0241988,6.11,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cccc4C(F)(F)F)c4,0.0
30787,CO-ADD:0245683,6.11,n1(nnc(C(=O)N\N=C\c(ccc(c2[N+](=O)[O-])O)c2)c1CN(CC)CC)c3nonc3N,0.0
30788,CO-ADD:0244267,6.11,N(=C\c1ccccc1I)/NC(CCC(=O)Nc(ccc(c2C)C)c2)=O,0.0
30789,CO-ADD:0240589,6.11,C(C(OCC)=O)(C1c2cccs2)=C(CC(OCC)=O)OC(N)=C1C#N,0.0
30790,CO-ADD:0244672,6.11,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c2ccc(c3n2)cccc3,0.0
30791,CO-ADD:0240579,6.11,c1(SCC(=O)c(cc2)ccc2[N+](=O)[O-])sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
30792,CO-ADD:0237376,6.11,Clc1ccc(cc1)[C@@H]2[C@H](Oc3ccccc3)C(=O)N2CCn4cnc5c(NCc6ccccc6)ncnc45,0.0
30793,CO-ADD:0237131,6.11,CC(C)N=C1C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5,0.0
30794,CO-ADD:0232924,6.11,S(=O)(=O)(c1ccc(cc1)C)CCN(CC2)CCN2C,0.0
30795,CO-ADD:0237286,6.11,CCn1ncc2c(NC3CCOCC3)c(CNC(=O)c4ccnn4C)c(C)nc12,0.0
30796,CO-ADD:0244244,6.11,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\NC(=O)c3cccc(C)c3)c1,0.0
30797,CO-ADD:0242160,6.11,N1(CCc2ccccc2)C(=O)CC(N(CC3)CCN3c4ncccn4)C1=O,0.0
30798,CO-ADD:0246139,6.11,N1(c2ccc(cc2[N+](=O)[O-])OC)C(=O)C3C(C4C=CC3CC4)C1=O,0.0
30799,CO-ADD:0241305,6.11,C1(=O)Oc2c(ccc(c2)OC(NCCCC)=O)S1,0.0
30800,CO-ADD:0237150,6.11,CCN(CC)CCCCCCNc1cc(OC)cc2c(C)ccnc12.Cc1ccc(S(O)(=O)=O)cc1,0.0
30801,CO-ADD:0237167,6.11,Cc1ccc2c(NC(=O)C23NN=C(S3)c4ccccc4)c1C,0.0
30803,CO-ADD:0237250,6.11,NC(=O)c1cc(ccc1OCCOc2ccccc2)c3ccsc3,0.0
30804,CO-ADD:0242138,6.11,c1(NC(CSc2[nH]ncn2)=O)sc3c(ccc(C)c3)n1,0.0
30805,CO-ADD:0244788,6.11,[N+](=O)([O-])c1c(OC)ccc(c1)C(=O)Nc2cccc(Cl)c2Cl,0.0
30806,CO-ADD:0245074,6.11,N(=C1c2ccc(cc2)Cl)\C(\C(O1)=O)=C/c3c(ccc(cccc4)c34)OCc5ccccc5,0.0
30807,CO-ADD:0245036,6.11,N1(c2cccc(c2)C(=O)Nc(cc3)ccc3Oc4ccccc4)C(=O)c(c5C1=O)ccc(c5)C(=O)Nc(cc6)ccc6Oc7ccccc7,0.0
30808,CO-ADD:0244416,6.11,[C@H](C)([C@@H](O)CCN1)C1C.Cl,0.0
30809,CO-ADD:0245900,6.11,N1(CCCCCCCC)C(=O)CSC1c(cc(C(C)(C)C)c(c2C(C)(C)C)O)c2,0.0
30810,CO-ADD:0241200,6.11,S(=O)(=O)(NCc(cccn1)c1)c2c(C)cc(cc2C)C,0.0
30811,CO-ADD:0242711,6.1,C(=N\c(ccc(c12)Cc(cccc3)c13)c2)(/c4c5cccc4)\c6c5cccc6,0.0
30812,CO-ADD:0245618,6.1,N(c1c(C)cccc1C)(C(=O)Cc2ccccc2)C(=O)C(c3ccccc3)N(CC4)CCO4,0.0
30813,CO-ADD:0244408,6.1,P(O)(O)(=O)CC(=O)NC(N)=O,0.0
30814,CO-ADD:0244381,6.1,S1(=O)(=O)c(cccc2)c2C(=O)N1C(=O)c3ccccc3Br,0.0
30815,CO-ADD:0237068,6.1,Fc1ccccc1C2CC2C(=O)Nc3nc(cs3)c4ccccn4,0.0
30816,CO-ADD:0237152,6.1,FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Nc2ccnc(n2)c3cccnc3,0.0
30817,CO-ADD:0241346,6.1,N(=C(N\N=C\c(cc1)ccc1[N+](=O)[O-])NN=C2Cc(ccc(c3OC)OC)c3)C2=O,0.0
30818,CO-ADD:0245822,6.1,N(\C(=C/c1ccccc1OCC=C)\C(O2)=O)=C2c3ccc(cc3)C,0.0
30819,CO-ADD:0241222,6.1,N1(CCC1=O)C2(CCCCC2)C(=O)Nc3cccc(C)c3,0.0
30820,CO-ADD:0244366,6.1,C1(OC(=O)c(cc2)ccc2[N+](=O)[O-])OC(C(OCc3ccccc3)C1OCc4ccccc4)COCc5ccccc5,0.0
30821,CO-ADD:0245024,6.1,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)\N=C\c(cc4)ccc4I)n1,0.0
30822,CO-ADD:0242178,6.1,n(nnc1C(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)(c1COC)c3nonc3N,0.0
30823,CO-ADD:0242938,6.1,N(/Nc1ccccc1)=C(/C)\c2ccccc2O,0.0
30824,CO-ADD:0244285,6.1,N(C(CCC(=O)N\N=C\c(ccc(c1OC)OC)c1)=O)c2ccc(cc2C)C,0.0
30825,CO-ADD:0245707,6.1,N1(CCc(ccc(c2OC)OC)c2)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
30826,CO-ADD:0241052,6.1,N1(\N=C\c2c(OCC)ccc(cccc3)c23)C(=O)C(C4C1=O)C5C=CC4CC5,0.0
30827,CO-ADD:0244189,6.1,N(c1ccccc1)(CC2)CCN2CCC(=O)Nc(cc3)ccc3OCc4ccccc4,0.0
30828,CO-ADD:0244958,6.1,[N+](=O)([O-])c1ccc(cc1NCCOc2cccc(OC)c2)Cl,0.0
30829,CO-ADD:0245070,6.1,n1(nnc(C(=O)N\N=C\c2ccc(cc2O)O)c1CN3CCCCC3)c4nonc4N,0.0
30830,CO-ADD:0241713,6.1,C1(=C(C=C(C)OC1=O)OC(=C2C#N)N)C2c3cccc(cccc4)c34,0.0
30831,CO-ADD:0237154,6.1,COc1ccc(cc1OC)C2CC(=NN2C(=O)c3occc3)c4cccs4,0.0
30832,CO-ADD:0237321,6.1,CN1CCN(CC1)c2nccc3nc([nH]c23)c4ccc(F)c(F)c4,0.0
30833,CO-ADD:0287826,6.1,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCCOc3ccccc3)c4cccs4,0.0
30834,CO-ADD:0287170,6.1,c1(NC(=S)NC(=O)c2ccc(cc2)OC)sc(c(CCN3CC)c1C(N)=O)C3,0.0
30835,CO-ADD:0240999,6.1,C(C#N)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
30836,CO-ADD:0242652,6.1,C1(C(c2ccc(cc2)OCC(OCC)=O)C3C(=O)CC(CC3=O)(C)C)=C(O)CC(C)(C)CC1=O,0.0
30837,CO-ADD:0246158,6.1,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(ccc(c3OC)O)c3)\N2c4ccccc4,0.0
30838,CO-ADD:0248697,6.1,FC1=C(F)C=CC(C(N(C)C)COC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32)=C1,0.0
30839,CO-ADD:0285162,6.1,C1(=NC(=O)C(=N2)CCC(O)=O)N2c3c(cccc3)N1CC(O)=O,0.0
30840,CO-ADD:0285186,6.1,S1(=O)(=O)c(cccc2)c2C(NN(C(=O)c3ccc(cc3)C)S(=O)(=O)c4ccc(c5c4)cccc5)=N1,0.0
30841,CO-ADD:0245562,6.1,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)C)CC(=O)NCc3ccc(cc3Cl)Cl,0.0
30842,CO-ADD:0246183,6.1,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2OC)cc(c2OCC)I,0.0
30843,CO-ADD:0242159,6.1,C1(C(OCC)=O)=C(C)NC(=C2C1c3sc(cc3Cl)Cl)CCCC2=O,0.0
30844,CO-ADD:0244793,6.1,N1(c(cc2)ccc2C(O)=O)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
30845,CO-ADD:0242001,6.1,S(=O)(=O)(N1CCCCC1)c2c(Cl)ccc(c2)C(=O)Nc3ccccn3,0.0
30846,CO-ADD:0245979,6.1,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(cc3Br)cc(c3O)Br)nc(NCc4ccco4)n1,0.0
30847,CO-ADD:0244836,6.1,CN(C(=S)N1C)C(C1N2)N=C3N2C(=O)\C(=C(\C4=O)/c(cc5)c(cc5)N4CCc(cc6)ccc6)\S3,0.0
30848,CO-ADD:0244159,6.1,C(=O)(C(NCCOC=C)=O)Nc1ccccc1C,0.0
30849,CO-ADD:0244179,6.1,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CNc3ccccc3C(N)=O,0.0
30850,CO-ADD:0241209,6.1,N1(c2cccc(Cl)c2C)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(c5c4)OCO5,0.0
30851,CO-ADD:0244784,6.1,N1(c2c(Cl)ccc(c2)NC(=O)c3ccc(c4c3O)cccc4)C(=O)c5c(cccc5)C1=O,0.0
30852,CO-ADD:0241186,6.1,N1(c2ccccn2)C(=O)c3c(cc(cc3)Oc(cc4)ccc4C(O)=O)C1=O,0.0
30853,CO-ADD:0245907,6.1,S(N)(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)\C=C\c(ccc(c2OC)OC)c2,0.0
30854,CO-ADD:0241597,6.1,c1(sccn1)NC(=O)CCN(CC2)CCC2(c3ccccc3)C(OCC)=O.Cl,0.0
30855,CO-ADD:0241246,6.09,c1(cc(ccc1NC(=O)c2cccs2)Cc(ccc(c3C(O)=O)NC(=O)c4cccs4)c3)C(O)=O,0.0
30856,CO-ADD:0242719,6.09,C1(O)(C(C)CN(C(C)C1)C)c2cc(C)ccc2C,0.0
30857,CO-ADD:0244322,6.09,C(=O)(N\N=C\c(cc1)ccc1F)C(NCCOC)=O,0.0
30858,CO-ADD:0241470,6.09,c1(N(C)C)nc(N\N=C\c(c(Cl)ccc2[N+](=O)[O-])c2)nc(Nc(cc3)ccc3F)n1.CC(=O)O,0.0
30859,CO-ADD:0245551,6.09,S(C)(=O)(=O)N(c1ccccc1)CC(=O)N\N=C\c(cc(Cl)cc2Cl)c2O,0.0
30860,CO-ADD:0237324,6.09,CC1=Nc2ccc(Cl)cc2C(O)(N1CCN3CCCCC3)c4ccc(C)cc4,0.0
30862,CO-ADD:0237097,6.09,CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1,0.0
30863,CO-ADD:0237125,6.09,Cc1ccc(Oc2ccc(NC(=O)CNc3ccccc3N4CCCC4=O)cc2)cc1,0.0
30864,CO-ADD:0237350,6.09,CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N,0.0
30865,CO-ADD:0287719,6.09,N1(c2cc(Cl)cc(Cl)c2)C(=O)C(CC1=O)S\C(\NC)=N/c(ccc(c3C(F)(F)F)Cl)c3,0.0
30866,CO-ADD:0288031,6.09,n1(cnn2)c2S\C(=C/c(cc3)ccc3N(C)C)\C1=O,0.0
30867,CO-ADD:0287193,6.09,C1([N+](=O)[O-])=C2c(c3N(C)C1=O)c(C(=O)c(cccc4)c24)ccc3,0.0
30868,CO-ADD:0287569,6.09,n(c1c(n2)cccc1)(Cc(cc3OC)c(OC)cc3Cn(c4c(n5)cccc4)c5)c2,0.0
30869,CO-ADD:0244863,6.09,C(N(C)C(=O)N1C)(C1N2)N3C(S\C(=C/c(cc4[N+](=O)[O-])ccc4)\C3=O)=N2,0.0
30870,CO-ADD:0244167,6.09,N(/c(ccc(c1C)C)c1)=C\c(ccc(c2OC)O)c2,0.0
30871,CO-ADD:0244174,6.09,C1(CCCC2)C2C1C(=O)N\N=C\c3cc(OC)c(cc3[N+](=O)[O-])OC,0.0
30872,CO-ADD:0242727,6.09,c1(c2ccc(cc2)C)c(C)c3c(cccc3)[nH]1,0.0
30873,CO-ADD:0244879,6.09,[C@@]([H])(N(CC)C(=O)N1CC)([C@@]1([H])N2)N3C(S[C@@]4([C@H](c(c5)ccc([N+](=O)[O-])c5)CN(C)[C@@]4(C6=O)c(cc7)c(cc7)N6CC=C)C3=O)=N2,0.0
30874,CO-ADD:0241875,6.09,c1(non2)c2nc(Nc(cc3)ccc3C)c(N\N=C\c(ccc4c5ccc(cc5)Br)o4)n1,0.0
30875,CO-ADD:0245590,6.09,c1(ccc(C(=O)Nc(cc2)ccc2C(C)(C)C)o1)C(c3ccccc3)=O,0.0
30876,CO-ADD:0241616,6.09,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4scc(Br)c4,0.0
30877,CO-ADD:0241749,6.09,n1c(c2ccccc2)csc1\C(\C#N)=C/c(cc3)ccc3OC,0.0
30878,CO-ADD:0245349,6.09,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cc(Br)c(c4Br)O)c4O,0.0
30879,CO-ADD:0241391,6.09,N(=C\c(cc1)ccc1N(C)C)/NC(CCC(=O)N\N=C\c(cc2)ccc2N(C)C)=O,0.0
30880,CO-ADD:0241402,6.09,C12(c3c(NC1=O)cccc3)SC(C(=O)N2c4ccc(cc4)Cl)C,0.0
30881,CO-ADD:0244605,6.09,c1(csc(C)c1)C(=O)N(C(C)c2ccccc2)NC(=O)C(O)(c3ccccc3)c4ccccc4,0.0
30882,CO-ADD:0237432,6.09,Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1,0.0
30884,CO-ADD:0237355,6.09,COc1ccc(cc1)N(CCc2cccc(C)n2)C(=O)C3CCCCC3,0.0
30885,CO-ADD:0290457,6.09,C(c1ccccc1)(=O)Nc2c(OCC)cc(c(OCC)c2)N,0.0
30886,CO-ADD:0290690,6.09,c1(c(c(COC)cc(n2)C)c2s3)c3c(c4ccccc4)nc(c(c56)c(COC)cc(C)n5)c1s6,0.0
30887,CO-ADD:0241326,6.09,C(C#N)(C(c1ccc(c2c1)OCO2)C3=C(N4c(cccc5C(F)(F)F)c5)CCCC3=O)=C4N,0.0
30888,CO-ADD:0245916,6.09,C(=O)(OC(C)(C)C)N(CCOCCOCC1)CCOCCOCCN1,0.0
30889,CO-ADD:0241139,6.09,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccc(cc2C)Cl)c3cccc(Cl)c3Cl,0.0
30890,CO-ADD:0241371,6.09,n1c2c(cccc2)ccc1N\N=C(/C)\c3ccc(cc3)N,0.0
30891,CO-ADD:0245343,6.08,c1(sc(c2n1)cccc2)Sc3ccc(\C=N\c(ccc(c4s5)nc5SCC(=O)N(CC6)CCO6)c4)o3,0.0
30892,CO-ADD:0245859,6.08,C1(C(C1)CCCCCCCC)C(=O)Nc(cc2)ccc2C(=O)Nc(cc3)ccc3OC,0.0
30893,CO-ADD:0242864,6.08,C(C#N)(C(c(ccs1)c1)c(ccc(c23)cccc2)c3O4)=C4N,0.0
30894,CO-ADD:0242201,6.08,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(/C)\CCO,0.0
30895,CO-ADD:0248385,6.08,ClC1=C2C(N(CC3=CC(C(F)(F)F)=CC(F)=C3)C(C4=CSC=N4)=N2)=CC=C1,0.0
30896,CO-ADD:0237384,6.08,CC(C)NCC(=O)Nc1cccc(c1)C(=O)Nc2cccc(c2)C(F)(F)F,0.0
30897,CO-ADD:0237048,6.08,COc1cccc2c(C)nc(N=C(N)N)nc12.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
30898,CO-ADD:0245557,6.08,C(Nc(cc1)ccc1C(C)=O)(C(OCC)=O)(C(F)(F)F)NC(=O)c2ccccc2OCC,0.0
30899,CO-ADD:0242689,6.08,n1(\N=C\c(c2)c(O)c(cc2[N+](=O)[O-])Br)c(S)nnc1c3ccccc3,0.0
30900,CO-ADD:0244576,6.08,C(=O)(Oc1ccccc1)Nc2c(C)cc(cc2C)C,0.0
30901,CO-ADD:0241398,6.08,C1(=O)N(c2ccc(cc2)C)C(=O)C(C(=O)N1c3ccc(cc3)C)Cc4ccccc4,0.0
30902,CO-ADD:0241613,6.08,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c4cccs4,0.0
30903,CO-ADD:0245426,6.08,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)ccc4O)\C1=O,0.0
30904,CO-ADD:0242802,6.08,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c3ccco3,0.0
30905,CO-ADD:0241657,6.08,C12(c3c(NC1=O)cccc3)C(C(OCC)=O)=C(CCC)OC(N)=C2C(OCC)=O,0.0
30906,CO-ADD:0237056,6.08,CCC1=C(C)N=C(NC1=O)n2nc(C)cc2NC(=O)c3ccccc3SC,0.0
30907,CO-ADD:0237237,6.08,Clc1ccc(cc1)n2cc(COc3ccnc4ccccc34)nn2,0.0
30908,CO-ADD:0285159,6.08,C1(SCC(=O)Nc(cc2)ccc2C)=NC(c3ccccc3)CC(=O)N1,0.0
30909,CO-ADD:0290459,6.08,C(CC1(C)C)(CC(N1)(C)C)(O2)C(=C)OC2=O,0.0
30910,CO-ADD:0285152,6.08,c(C#N)(c(\C(\C#N)=C\c(ccc1c2ccc(cc2)F)o1)nn3c4ccccc4)c3N,0.0
30911,CO-ADD:0292044,6.08,C(=C\c(ccc1c2c(Br)ccc(c2)[N+](=O)[O-])o1)(/C(C)=NN3c4ccc(cc4)C)\C3=O,0.0
30912,CO-ADD:0245613,6.08,N1(CNc(cc2)ccc2Br)C(=S)OC(c3ccc(cc3Cl)Cl)=N1,0.0
30913,CO-ADD:0244817,6.08,C(C)N(CN(C1=O)C(N23)C(N4C2=S)N1CN(CC)C4)C3,0.0
30914,CO-ADD:0242801,6.08,c1(\C=N\NC(=O)\C(=C/c(cc2)ccc2N(C)C)\NC(=O)c3ccccc3Cl)c4c([nH]c1C)cccc4,0.0
30915,CO-ADD:0245758,6.08,C(=O)(N\N=C\c1cc(OC)ccc1OC(C)=O)C(CC)Oc2cccc(Br)c2,0.0
30916,CO-ADD:0241604,6.08,n1(nnc(C(=O)N\N=C(/C)\c2ccc(cc2)O)c1CN(CC)CC)c3nonc3N,0.0
30917,CO-ADD:0242884,6.08,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc(cc3)ccc3C(OCCCC)=O,0.0
30918,CO-ADD:0241051,6.08,c1(cc(OC)ccc1OC)C(=O)COc2ccccc2C#N,0.0
30919,CO-ADD:0237238,6.08,CC(C)(C)OC(=O)N1CCN(CC1)c2cc(n[nH]2)c3ccc(Oc4ccccc4)cc3,0.0
30920,CO-ADD:0237113,6.08,COc1ccccc1OCCCCn2c(nc3ccccc23)C4CC4,0.0
30921,CO-ADD:0237358,6.08,NC(CC(=O)c1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl,0.0
30922,CO-ADD:0241840,6.08,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(ccc(c3O)OCC)c3)n1.CC(=O)O,0.0
30923,CO-ADD:0244884,6.08,C(N(CC)C(=O)N1CC)(C1N2)N=C(SC3(C(c4ccc(Br)cc4)CN(C)C3(c(cccc5)c5N6)C6=O)C7=O)N27,0.0
30924,CO-ADD:0241566,6.08,[C@H]1(C(=O)N\N=C\c2cccs2)C[C@@H]1c3ccccc3,0.0
30925,CO-ADD:0242868,6.08,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
30926,CO-ADD:0241255,6.08,N1(c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])\C(\NCN(c3ccc(cc3)Cl)C1)=N\[N+](=O)[O-],0.0
30927,CO-ADD:0245784,6.08,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cccc(O)c4,0.0
30928,CO-ADD:0241717,6.08,C1(C#N)(C#N)[C@H](c2ccc(cc2)Cl)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5ccc(cc5)OC,0.0
30929,CO-ADD:0241110,6.08,[N+](=O)([O-])c1c(NCCOc2cccc(cccc3)c23)ccc(c1)C(F)(F)F,0.0
30930,CO-ADD:0244594,6.07,C(C)(=O)Nc1cccc(Br)c1,0.0
30931,CO-ADD:0241677,6.07,c(C(OC=C)=O)(sc(c12)nc(cc1C(F)(F)F)c3cccs3)c2N,0.0
30932,CO-ADD:0242150,6.07,C(=C/c(cc1)ccc1Br)(/C(NCCCOC(C)=O)=O)\NC(c2ccccc2)=O,0.0
30933,CO-ADD:0242908,6.07,C(=N\c1ccccc1)(/c(cc(C)cc2)c23)\c4c3cc(C)nc4,0.0
30934,CO-ADD:0242126,6.07,c1(NC(CSc2sc(c3n2)cccc3)=O)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
30935,CO-ADD:0245884,6.07,C(F)(F)(C(F)(F)C(F)(F)F)C(F)(F)c1n[nH]c(O)c1,0.0
30937,CO-ADD:0237283,6.07,O(c1ccccc1)c1ccc(cc1)-c1cncc(n1)-c1ccc2[nH]ccc2c1,0.0
30938,CO-ADD:0241552,6.07,N1(c(cc2)ccc2C(=O)N(CCC)Cc3ccccc3)C(=O)c(c4C1=O)cccc4,0.0
30939,CO-ADD:0245992,6.07,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OC)cc(c5OCC)I,0.0
30940,CO-ADD:0241577,6.07,n1c2c(oc1c3ccc(cc3)Cl)ccc(c2)NC(=O)c4ccccc4F,0.0
30941,CO-ADD:0245958,6.07,N1(CNc(cc2)ccc2C)N=C(OC1=S)c(ccc(c3CNc(cc4)ccc4C)O)c3,0.0
30942,CO-ADD:0241735,6.07,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c3ccc(cc3F)F,0.0
30943,CO-ADD:0245994,6.07,N1(N=C(N2)N)C2=NC(c3ccccc3)=CC1=O,0.0
30944,CO-ADD:0241971,6.07,S(=O)(=O)(N(CC)CC)c1c(Br)ccc(c1)C(=O)Nc2sc(c3c2C#N)CCCC3,0.0
30945,CO-ADD:0241102,6.07,C(=O)(Nc1sccn1)c2cccc(C)c2OC,0.0
30946,CO-ADD:0245302,6.07,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
30947,CO-ADD:0244314,6.07,o(c(c1cccc(C)c1)nn2)c2c3cccc(C)c3,0.0
30948,CO-ADD:0245424,6.07,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c(cc4)ccc4C(C)(C)C)\C1=O,0.0
30949,CO-ADD:0245731,6.07,c1(Nc(cc2)ccc2Cl)nc(OC)nc(NCCN(CC3)CCO3)n1,0.0
30950,CO-ADD:0241652,6.07,N(CNc1ccccc1Br)(c2c(N3CNc4ccccc4Br)cccc2)C3=S,0.0
30951,CO-ADD:0240646,6.07,N1(c2ccc(cc2)C)C(C)(O)C(OC1=O)(C)CC,0.0
30952,CO-ADD:0240163,6.07,c12c(ccc(OC)c1OC)C(OC2=O)Nc(cc3)ccc3NC(C)=O,0.0
30953,CO-ADD:0240237,6.07,n(c(c1)c2ccc1C(=O)N(CC=C)CC=C)c(c3ccccc3)c(n2)c4ccccc4,0.0
30954,CO-ADD:0240767,6.07,N1(c2ccccc2)C(=O)C3C(C(C=C4)C(C(C34)C5=O)C(N5c6ccccc6)=O)C1=O,0.0
30955,CO-ADD:0240746,6.07,S(=O)(=O)(c1ccc(cc1)C)N\N=C\c2c3c(cccc3)ccc2OC(=O)c4ccc(cc4Cl)Cl,0.0
30956,CO-ADD:0242485,6.07,C1(CC2CC(C1)CC3(C2)C(=O)Nc(cc(Oc(cc4)ccc4Cl)cc5[N+](=O)[O-])c5)(C3)n(c6)nc(n6)Cl,0.0
30957,CO-ADD:0242426,6.07,C(=O)(N\N=C(/C)\CC(=O)NCc1ccccc1OC)C(=O)NCC(C)C,0.0
30958,CO-ADD:0240856,6.07,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2C(C)(C)C)N3CCCCC3,0.0
30959,CO-ADD:0240688,6.07,c1(c(O)ccc(cccc2)c12)\C=N\c3cccc(cccc4)c34,0.0
30960,CO-ADD:0240734,6.07,P(OCC)(OCC)(=O)C(C)(CC)NC(=O)Nc1cc(Cl)cc(Cl)c1,0.0
30961,CO-ADD:0244587,6.07,C(=O)(Nc(ccc(c1Cl)Cl)c1)Nc(cc2)c(OC)cc2c(cc3)cc(c3NC(=O)Nc(ccc(c4Cl)Cl)c4)OC,0.0
30962,CO-ADD:0242760,6.07,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccc(cc5)C)C(OCC)=O,0.0
30963,CO-ADD:0240922,6.07,N1(c2ccc(c(C)c2)C)C(=O)C(CC3)C(C3(C)C1=O)(C)C,0.0
30964,CO-ADD:0240431,6.07,[N+](=O)([O-])c(cc(Oc(cc1)ccc1CCC(=O)NCc2cccs2)cc3[N+](=O)[O-])c3,0.0
30965,CO-ADD:0240305,6.07,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3sc(c(c(cc4)ccc4c5ccccc5)n3)C,0.0
30966,CO-ADD:0240894,6.07,c1(c(C)non1)N(Cc(cc2)ccc2OC)N=Nc3c(C)non3,0.0
30967,CO-ADD:0240662,6.07,n1(nc[nH]2)c2nnc1\N=C\c3ccco3,0.0
30968,CO-ADD:0244740,6.07,C(O)(C(OC)=O)(c1ccc(c(C(C)(C)C)c1)O)C(F)(F)F,0.0
30969,CO-ADD:0244630,6.07,N(=C\c(cc1)ccc1Cl)/N(Cc2ccccc2)Cc3ccccc3,0.0
30970,CO-ADD:0240581,6.07,N(c1ccc(cn1)Br)C(COc2cccc(c2)OCC(=O)Nc3ccc(cn3)Br)=O,0.0
30971,CO-ADD:0242210,6.07,c1(NC(CN(CCCC)CCCC)=O)c2c(cccc2)nc(CCC3)c13,0.0
30972,CO-ADD:0242903,6.07,[N+](=O)([O-])c1cccc(C)c1NC(C)=O,0.0
30973,CO-ADD:0245883,6.07,C(/c1c(C2=O)cccc1)(=N\NC(=O)c(c3)cc(cc3[N+](=O)[O-])[N+](=O)[O-])\C2c4ccc(cc4)Cl,0.0
30974,CO-ADD:0242356,6.07,c1(C#N)c(SCc2ccccc2Cl)nc(cc1c3ccccc3OC)c4ccccc4,0.0
30975,CO-ADD:0242804,6.06,n1c2c(oc1c(cc3)ccn3)ccc(c2)\N=C\C=C\c(cc4)ccc4[N+](=O)[O-],0.0
30976,CO-ADD:0241727,6.06,c1(oc(c2n1)cccc2)NC(CSc3nc(c4ccccc4)cc(c5cccc(F)c5)c3C#N)=O.Cl.Cl,0.0
30977,CO-ADD:0241242,6.06,C(c1cccs1)(O2)=Nc(c3C2=O)ccc(Cc(ccc4c5C(=O)OC(c6cccs6)=N4)c5)c3,0.0
30978,CO-ADD:0240699,6.06,C(c(cc1)ccn1)(=O)N\N=C\c(cc2)ccc2C,0.0
30979,CO-ADD:0240791,6.06,c1(C#N)c(C)c(oc1\N=C\c2ccc(cc2OC)OC)C,0.0
30980,CO-ADD:0240235,6.06,N1(c(cc2)ccc2S(=O)(=O)N(CC3)CCN3c4ccccc4)C(=O)c(c5C1=O)cccc5,0.0
30981,CO-ADD:0242387,6.06,C1(C#N)(C#N)[C@@H](c2ccc(cc2)SC)[C@]([H])(C3)C(C(C(O)=O)=C1N)=CCN3C(C)C,0.0
30982,CO-ADD:0242398,6.06,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)\N=C\c4cc(Cl)ccc4O)n1,0.0
30983,CO-ADD:0240519,6.06,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2CC)N(CC3)CCN3CCO,0.0
30984,CO-ADD:0240528,6.06,C(=O)(C(C)NC(OCc1ccccc1)=O)Nc(ccc(c2C)C)c2,0.0
30985,CO-ADD:0241160,6.06,c1(C#N)c(c2ccccc2)cc(nc1SCC(OCC)=O)c3ccc(cc3C)C,0.0
30986,CO-ADD:0241898,6.06,C(=C\c(cc(Br)cc1[N+](=O)[O-])c1O)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
30987,CO-ADD:0240787,6.06,[N+](=O)([O-])c(c(C)c1)cc(c1c2ccc(\C=N\c3cccc(C)c3C)o2)C,0.0
30988,CO-ADD:0240653,6.06,n1(nnc(C(OCC)=O)c1CN2CCC(CC2)C)c3nonc3N,0.0
30989,CO-ADD:0240190,6.06,N(=C\c(cc1)cc(c1OC(C)=O)OC)/c2c(C)cc(cc2C)C,0.0
30990,CO-ADD:0240182,6.06,[N+](=O)([O-])c1ccc(cc1)N\N=C\c2cccc(O)c2,0.0
30991,CO-ADD:0240141,6.06,c1(nnc(CCCCC)s1)NC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
30992,CO-ADD:0240200,6.06,C(=C\c(ccc(c1OC)OCC(OCC)=O)c1)(/C2=O)\C(=O)NC(=O)N2,0.0
30993,CO-ADD:0240529,6.06,N1(NC(=O)c2ccc(cc2)OC)C(=O)C3C(C(CC34)C=C4)C1=O,0.0
30994,CO-ADD:0242332,6.06,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c(cccn2)c2,0.0
30995,CO-ADD:0241910,6.06,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(NCCSc(cc3)ccc3Cl)=O,0.0
30996,CO-ADD:0241504,6.06,[N+](=O)([O-])c(cc1)cc(c1C(=O)N\N=C(/C)\CC(=O)NC2CCCC2)Cl,0.0
30997,CO-ADD:0241496,6.06,[N+](=O)([O-])c(cc1)cc(c1C(=O)N\N=C(/C)\CC(=O)Nc2c(C)cc(cc2C)C)Cl,0.0
30998,CO-ADD:0241497,6.06,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1C(N)=O)c2cnccn2,0.0
30999,CO-ADD:0244790,6.06,c1(SCC(=O)NCc2ccco2)sc3c(ccc(N)c3)n1,0.0
31000,CO-ADD:0244747,6.06,[C@]1(C#N)(C#N)[C@]([H])(c2ccc(cc2)Br)[C@@]([H])(C3)C(C(C#N)=C1N)=CCN3C,0.0
31001,CO-ADD:0241492,6.06,C(c1ccccc1C)(OC2=O)=Nc(c23)ccc(c(ccc4c5C(=O)OC(c6ccccc6C)=N4)c5)c3,0.0
31002,CO-ADD:0245490,6.06,c1(C#N)c2c(sc1\N=C\c(ccc(c3[N+](=O)[O-])N(C)C)c3)CCCC2,0.0
31003,CO-ADD:0244774,6.06,c1(Nc2ccccc2OCC)sc(c(c3ccc(c(Cl)c3)Cl)n1)CCC,0.0
31004,CO-ADD:0242348,6.06,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC#C)c3cccs3,0.0
31005,CO-ADD:0242378,6.06,c(C(=O)Nc1ccc(cc1C)C)(sc(c23)nc(cc2c4ccc(cc4)F)c5ccccc5)c3N,0.0
31006,CO-ADD:0241933,6.06,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)\C=C\c2ccccc2OC)=O)c3cccs3,0.0
31007,CO-ADD:0244607,6.06,C1(C([H])(c2ccccc2O)C3=C(C)N(N(c4ccccc4)C3=O)C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
31008,CO-ADD:0245288,6.06,N1=C(SCC(OC)=O)S\C(=C/c(cc2)ccc2OC)\C1=O,0.0
31009,CO-ADD:0244355,6.06,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I)N(CC=C)c3ccccc3,0.0
31010,CO-ADD:0244358,6.06,N1(C(c2ccccc2)CC(c3ccccc3)=N1)c4scc(c5ccc(cc5)Br)n4.Br,0.0
31011,CO-ADD:0240671,6.06,N1(CNc2ccccc2Cl)C(=O)\C(\SC1=O)=C/c3ccccc3,0.0
31012,CO-ADD:0242044,6.06,N1(c2ccc(cc2)CC)C(c3ccc(cc3)Cl)Nc(c4C1=O)cccc4,0.0
31013,CO-ADD:0240462,6.06,[N+](=O)([O-])c1ccc(cc1NC(C)C23CC(CC4C2)CC(C4)C3)N(CC5)CCN5C,0.0
31014,CO-ADD:0240600,6.06,c1(NC(CSCC(=O)OCC(=O)c2ccc(cc2)Br)=O)sc(c(ccc3C(OCC)=O)n1)c3,0.0
31015,CO-ADD:0242423,6.06,[N+](=O)([O-])c1ccc(cc1)CC(=O)N\N=C(/C)\CC(=O)Nc(cccn2)c2,0.0
31016,CO-ADD:0242315,6.06,c1(\N=C\c2ccccc2)c(c3ccc(c(OC)c3)O)nc(cccc4)n14,0.0
31017,CO-ADD:0241129,6.06,n(c(C)c1C)c(c2)c(n1)ccc2C(=O)Oc(cc3)ccc3Cl,0.0
31018,CO-ADD:0245084,6.06,C(=O)(C1CCCCC1C(O)=O)Nc2c(C)ccc(Cl)c2,0.0
31019,CO-ADD:0244960,6.06,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc(cc2)ccc2Sc(cc3)ccc3[N+](=O)[O-])c1,0.0
31020,CO-ADD:0245603,6.06,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)\N=C\c(cc4)ccc4Cl)n1,0.0
31021,CO-ADD:0244185,6.06,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3c4cccc(Cl)c4)C1=O,0.0
31022,CO-ADD:0242397,6.06,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
31023,CO-ADD:0245728,6.06,n12c(nnc1CC(OCC)=O)c(nc(non3)c23)Nc4ccccc4Cl,0.0
31024,CO-ADD:0242060,6.06,n1(c(C)c(nn1)\C(\C)=N\N=C\c2ccccc2F)c3nonc3N,0.0
31025,CO-ADD:0244757,6.06,s1c(SCC(=O)Nc2ccc(cn2)Br)nnc1SCC(=O)Nc3ccc(cn3)Br,0.0
31026,CO-ADD:0242062,6.06,n1(c(C)c(nn1)\C(\C)=N\N=C\c2ccccn2)c3nonc3N,0.0
31027,CO-ADD:0242491,6.06,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCNC(=O)c2cccc(Br)c2,0.0
31028,CO-ADD:0240597,6.05,C1(=Cc2c(OC1=O)cccc2)C(=O)N3CCSC3c4ccc(cc4)Br,0.0
31029,CO-ADD:0245537,6.05,n(c1c2cccc1)c(SCc(cc3)ccc3OC)c(n2)SCc(cc4)ccc4OC,0.0
31030,CO-ADD:0241360,6.05,N(C(=O)CSc1oc(c2n1)cccc2)(c3c4cccc3)c5c(S4)cccc5,0.0
31031,CO-ADD:0245519,6.05,n1(c2ccccc2)c(SCc(c3c([nH]4)cccc3)c4)nnc1c5ccccc5,0.0
31032,CO-ADD:0245300,6.05,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)\N=C\c4ccccc4O)n1,0.0
31033,CO-ADD:0245553,6.05,S(C)(=O)(=O)N(c1ccccc1)CC(=O)N\N=C(/CCC2)\C2C(OCC)=O,0.0
31034,CO-ADD:0241370,6.05,c1(ccccc1OCC(=O)N\N=C/c2ccccc2)C(=O)N\N=C\c3ccccc3,0.0
31035,CO-ADD:0240192,6.05,N(/c(cc1)ccc1Nc2ccccc2)=C\c(ccc(c3OC)O)c3,0.0
31036,CO-ADD:0241968,6.05,c1(NC(=O)c(cccc2S(=O)(=O)N(CC3)CCO3)c2)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
31037,CO-ADD:0240370,6.05,C(C(=O)N\N=C\c1ccccc1)(=CN(CC)c2c3cc(c(N\N=C\c4ccccc4)c2)F)C3=O,0.0
31038,CO-ADD:0244234,6.05,c1(c2ccc(c1)c(ccc3c4C(=O)OC(c5ccc(cc5)Br)=N3)c4)C(=O)OC(c6ccc(cc6)Br)=N2,0.0
31039,CO-ADD:0240895,6.05,N1(c2ccccc2)C(=O)C3C(C(c4ccccc4)CCC3c5ccccc5)C1=O,0.0
31040,CO-ADD:0244493,6.05,n1(\N=C\c(ccc(c2OC)O)c2)cnnn1,0.0
31041,CO-ADD:0244536,6.05,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cc(OC)c(c4)OC)c4OC,0.0
31042,CO-ADD:0241386,6.05,c1(ccccc1C(=O)OCC(=O)c2ccc(cc2)Cl)c3ccccc3C(=O)OCC(=O)c4ccc(cc4)Cl,0.0
31043,CO-ADD:0245069,6.05,n1(nnc(C(=O)N\N=C(/C)\c(ccc(c2Cl)Cl)c2)c1CN3CCCCC3)c4nonc4N,0.0
31044,CO-ADD:0245600,6.05,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
31045,CO-ADD:0241561,6.05,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c(ccc2c3ccc(cc3[N+](=O)[O-])OC)o2)[N+](=O)[O-],0.0
31046,CO-ADD:0244814,6.05,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C\c3ccccc3)c4nonc4N,0.0
31047,CO-ADD:0242974,6.05,C(=O)(C=C)NC(C)(C)CCN1CCCCC1,0.0
31048,CO-ADD:0244780,6.05,s1c(c(cccn2)c2)nnc1N=Nc(cc3)ccc3O,0.0
31049,CO-ADD:0242272,6.05,c1(Nc(cccc2C(F)(F)F)c2)nc(N\N=C\c3cccc(cccc4)c34)nc(NC)n1.Cl,0.0
31050,CO-ADD:0240388,6.05,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c3ccc(cc3)O)c4nonc4N,0.0
31051,CO-ADD:0240915,6.05,N1(CCCc(cccc2)c12)C(=O)\C=C\c3ccco3,0.0
31052,CO-ADD:0244995,6.05,n1(cnc(c([n+]2[O-])N)c1nc2)[C@@H]3O[C@@H](C(O)C3O)CO,0.0
31053,CO-ADD:0241201,6.05,C(=O)(Nc1c(OC)cc(c(OC)c1)Cl)c2c(cccc2OC)OC,0.0
31054,CO-ADD:0245893,6.05,n1(CCC)c2c(c(cc(cc3)\C=C(\C4)/c(cc5)c(c4ccc6)c6c5[N+](=O)[O-])c13)cccc2,0.0
31055,CO-ADD:0241847,6.05,c1(N(CC2)CCO2)nc(N\N=C\c3c4c([nH]c3C)cccc4)nc(Nc(cc5)ccc5F)n1.Cl,0.0
31056,CO-ADD:0241499,6.05,[N+](=O)([O-])c(cc1)cc(c1C(=O)N\N=C(/C)\CC(=O)Nc2cccc(Cl)c2C)Cl,0.0
31057,CO-ADD:0240521,6.05,c1(NC(=O)CN2CCCCC2)sc(c(C)c1C(OCC)=O)C,0.0
31058,CO-ADD:0245765,6.05,c1(c(C)non1)N(CC(=O)Nc(cc2)ccc2CC)N=Nc3c(C)non3,0.0
31059,CO-ADD:0240643,6.05,c(Nc1ccccc1C)(nc(N\N=C/c2c3c(cccc3)cc(cccc4)c24)nc5Nc(cc6)ccc6[N+](=O)[O-])n5,0.0
31060,CO-ADD:0241879,6.05,C(=C\c(ccc(c1OC)OCc2ccc(cc2Cl)Cl)c1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
31061,CO-ADD:0244765,6.05,n1c(c2ccc(cc2)Br)csc1Nc3ccccc3OC.Br,0.0
31062,CO-ADD:0241923,6.05,c12c(c(cc(c3ccccc3)n1)cc(c45)cccc4)c5c6c2cccc6,0.0
31063,CO-ADD:0242303,6.05,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(ccc(c3OC)OCc4ccccc4Cl)c3.Cl,0.0
31064,CO-ADD:0241569,6.05,c1(oc(c2n1)ccc(Cl)c2)c3ccc(cc3O)\N=C\c(cc(Cl)cc4[N+](=O)[O-])c4O,0.0
31065,CO-ADD:0242879,6.05,S(=O)(=O)(c(ccc(c12)C(=O)c3c(cccc3)C1=O)c2)N(C4CCCCC4)C5CCCCC5,0.0
31066,CO-ADD:0242361,6.05,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCCN3CCCCCC3)c4cccs4,0.0
31067,CO-ADD:0242404,6.05,C(C#N)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
31068,CO-ADD:0241864,6.05,c1(N(CC2)CCO2)nc(N\N=C\c(cccc3[N+](=O)[O-])c3O)nc(NCc4ccccc4)n1,0.0
31069,CO-ADD:0245896,6.05,C(=O)(N\N=C\c(cc1)ccc1C(C)C)N\N=C\c(cc2)ccc2C(C)C,0.0
31070,CO-ADD:0240837,6.05,N(/c(cc1)ccc1O)=C\c(ccc(c2O)OC)c2,0.0
31071,CO-ADD:0240429,6.05,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c(ccc(c3F)F)c3)c4nonc4N,0.0
31072,CO-ADD:0242575,6.05,c1(ccccc1N)C(=O)N\N=C(/CC\C(\C2)=N/NC(=O)c3ccccc3N)\C2,0.0
31073,CO-ADD:0240395,6.04,C(C#N)(C1c(cccc2[N+](=O)[O-])c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
31074,CO-ADD:0244939,6.04,[N+](=O)([O-])c(cccc1C(=O)N\N=C(/C)\c(cccn2)c2)c1,0.0
31075,CO-ADD:0245027,6.04,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])c(ccc(c2[N+](=O)[O-])NCCOCCOC(C)=O)c2,0.0
31076,CO-ADD:0240571,6.04,C(=O)(C(NCCOc(cc1)ccc1Cl)=O)Nc2ccccc2C,0.0
31077,CO-ADD:0245287,6.04,S(=O)(=O)(Cc1ccccc1)N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-],0.0
31078,CO-ADD:0242188,6.04,N1(c2ccccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4C(O)=O,0.0
31079,CO-ADD:0242940,6.04,[N+](=O)([O-])c1cccc(c1)NNC(=O)c2ccc(cc2)F,0.0
31080,CO-ADD:0242566,6.04,S(=O)(=O)(c(ccc(c12)ccc(C)c1)c2)N3CCCCC3,0.0
31081,CO-ADD:0242457,6.04,C(=C\c(ccc(c1[N+](=O)[O-])N(CC(C)C)CC(C)C)c1)(/C(=O)NC(N2)=O)\C2=O,0.0
31082,CO-ADD:0246150,6.04,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cc(Br)ccc4OCc5ccc(cc5Cl)Cl,0.0
31083,CO-ADD:0241643,6.04,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
31084,CO-ADD:0242442,6.04,C(=O)(c1ccccc1Cl)NC(C(C)C)C(=O)[O-].[Na+],0.0
31085,CO-ADD:0242427,6.04,C(=O)(Nc(cc1)ccc1NC(C)=O)C\C(\C)=N\NC(=O)c(cc2)ccc2C(C)(C)C,0.0
31086,CO-ADD:0242094,6.04,c1(ccc(cc1F)\C(\C)=N\NC(=O)c(ccc(c2F)F)c2)N3CCCCC3,0.0
31087,CO-ADD:0242259,6.04,c1(\C=N\NC(=O)Nc2ccccc2)c3c([nH]c1C)cccc3,0.0
31088,CO-ADD:0242112,6.04,C1(\C(=N\c2cccc(F)c2)\SS3)=C3C(Nc(ccc(OCC)c4)c14)(C)C,0.0
31089,CO-ADD:0242250,6.04,[N+](=O)([O-])c(cccc1c2ccc(\C=N\n(c3)cnn3)o2)c1,0.0
31090,CO-ADD:0240740,6.04,n(c(N(CC)CC)c1N(CC)CC)c2c(n1)non2,0.0
31091,CO-ADD:0240799,6.04,o(c(c1ccc(cc1)Br)nn2)c2c3cccc(C)c3,0.0
31092,CO-ADD:0242494,6.04,[N+](=O)([O-])c1ccc(cc1)NCCNC(=O)c2ccccc2Cl,0.0
31093,CO-ADD:0242050,6.04,c1(c[nH]nc1C(O)=O)[N+](=O)[O-],0.0
31094,CO-ADD:0242547,6.04,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c3ccco3)\C1=O)=O,0.0
31095,CO-ADD:0240893,6.04,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(NCCOc(cc2)ccc2C)=O,0.0
31096,CO-ADD:0240416,6.04,n(c1C)(nnc1C(=O)N\N=C(/C)\CC(C)C)c2nonc2N,0.0
31097,CO-ADD:0240661,6.04,c1(csc(N)n1)c2c(C)non2.Br,0.0
31098,CO-ADD:0291380,6.04,c1(C#N)c(cccc2)c2n(C)c1CNc(cc3)ccc3C,0.0
31099,CO-ADD:0291465,6.04,S(=O)(=O)(c1ccc(cc1)NC(=O)C(C)(C)C)Nc2onc(C)c2C,0.0
31100,CO-ADD:0285682,6.04,C1(NCCc(cccc2)c12)C(O)=O.Cl,0.0
31101,CO-ADD:0285237,6.04,C1([N+](=O)[O-])=C(NCCOc(cc2)ccc2CC)c3c(cccc3)OC1=O,0.0
31102,CO-ADD:0285245,6.04,c1(c(C)oc(c2ccccc2)c1)C(=O)N(CC3)CCN3c4ccc(cc4[N+](=O)[O-])Cl,0.0
31103,CO-ADD:0285253,6.04,N1(c(ccc(c2)Br)c2OC1=O)C(c3ccccc3)(c4ccccc4)c5ccccc5,0.0
31104,CO-ADD:0300005,6.04,C(=C/c(ccc1c(cc(C)c(c2[N+](=O)[O-])C)c2)o1)(/C3=O)\C(=O)c4c3cccc4,0.0
31105,CO-ADD:0286358,6.04,C1(c2ccccc2)(OC(C)=O)CCN(CC1(C)C)C.Cl,0.0
31106,CO-ADD:0286150,6.04,n1(c2ccccc2)c(SCC(=O)NC3CCCCC3)nnc1c4ccc(cc4)Cl,0.0
31108,CO-ADD:0285536,6.04,N1(c2ccc(c3c2)OCO3)C(=O)c4c(c5C1=O)c(ccc4)ccc5,0.0
31109,CO-ADD:0299807,6.04,N1(Cc(cc2)ccc2F)C(=O)NC(\C(=C/c3cc(OC)ccc3OC)\C1=O)=O,0.0
31110,CO-ADD:0296055,6.04,c12c(CCNC1c3ccc(cc3)F)cc(c(OC)c2)OC,0.0
31111,CO-ADD:0295999,6.04,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)F)c5ccccc5,0.0
31112,CO-ADD:0292323,6.04,s1c(C)nnc1SCc2c(C)cc(c(CSc3nnc(C)s3)c2C)C,0.0
31113,CO-ADD:0293803,6.04,C12C(C(NC1(CCSC)C(O)=O)c3ccccc3O)C(N(CC)C2=O)=O,0.0
31114,CO-ADD:0293428,6.04,c1(N2CCC(CC2)c1c(c3NC(COc(cc4)ccc4Cl)=O)C(OCC)=O)s3,0.0
31115,CO-ADD:0295037,6.04,N(c1ccc(cc1)C)(CC(c2ccccc2)=O)CC(=O)c3ccc(cc3)Cl,0.0
31116,CO-ADD:0284989,6.04,S(=O)(=O)(c1ccccn1)CC(O)COc2ccccc2,0.0
31117,CO-ADD:0285837,6.04,N1(c2ccccc2Cl)C(=O)C(CC1=O)SC(=N)N3C(c4ccc(cc4)Br)CC(c5cccs5)=N3,0.0
31118,CO-ADD:0285871,6.03,C12(CC(C)(C)NC(SC)=N1)CC(c3ccccc3)Oc4c2ccc(c4)O.I,0.0
31119,CO-ADD:0285695,6.03,c12c(nnc(SCC(=O)Nc3sc(cc3C(OCC)=O)c4ccccc4)n1)c5c(cccc5)n2CC=C,0.0
31120,CO-ADD:0285849,6.03,C1(S2)(SC(=C2C(OCC)=O)C(OCC)=O)C(C(OCC)=O)=C(C(OCC)=O)SC(C(N3C(C(C)C)=O)(C)C)=C1c4c3cccc4,0.0
31121,CO-ADD:0285665,6.03,C(F)(F)(C1(F)F)C(F)(F)C(C1=C(C(Br)=C(S2)SCC)C23CC)=C(C(Br)=C(S4)SCC)C34CC,0.0
31122,CO-ADD:0285570,6.03,c1(c2OC)c(cc(c(cc(C)n3)C)c23)c(c(C)[nH]1)C,0.0
31123,CO-ADD:0285586,6.03,C(C)(C(NCCc(ccc(c1OC)OC)c1)=O)(CC(c(c23)cccc2)c(c45)cccc4)C35,0.0
31124,CO-ADD:0285404,6.03,c1(c2O)c(ccc2C(=O)Nc3cccc(C)c3)C(=O)c(c4C1=O)cccc4,0.0
31125,CO-ADD:0286357,6.03,c1(ccc(CSc2nc(C)cc(n2)C(F)(F)F)o1)C(=O)NNC(=O)c3cccs3,0.0
31126,CO-ADD:0286477,6.03,c12c(cccc1C(O)=O)C(C3Cl)C(C(c4cccc(Br)c4)N2)CC3Sc5ccccc5[N+](=O)[O-],0.0
31127,CO-ADD:0285327,6.03,c1(SCC(=O)Nc2cccc(C)c2C)sc3c(ccc(c3)NC(=O)c4ccccc4F)n1,0.0
31128,CO-ADD:0295469,6.03,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cccc5[N+](=O)[O-])c5)cccc4,0.0
31129,CO-ADD:0292424,6.03,n1(cnc(cc2[N+](=O)[O-])c1cc2)S(=O)(=O)c3ccc(cc3)Cl,0.0
31130,CO-ADD:0293058,6.03,N1(CN(CC2C)CC(O2)C)c(cccc3)c3\C(=N\c4ccccc4)\C1=O,0.0
31131,CO-ADD:0295351,6.03,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3c(F)c(F)c(c(F)c3F)F,0.0
31132,CO-ADD:0295847,6.03,c1(c2)c(cc(OC)c2NC(Cc(cc3)ccc3[N+](=O)[O-])=O)c4c(cccc4)o1,0.0
31133,CO-ADD:0295139,6.03,c12c(nnc(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n1)c4c(cccc4)n2CCc5ccccc5,0.0
31134,CO-ADD:0285690,6.03,c1(NC(CSc(nnc(c23)c4c(cccc4)[nH]2)n3)=O)sc(c5c1C(OCC)=O)CCC5,0.0
31135,CO-ADD:0288521,6.03,n1(CC(CCCN2)C2)c(C)cnc1C(C3)CC3.Cl.Cl,0.0
31136,CO-ADD:0288575,6.03,C1(CCN(C(OC(C)(C)C)=O)C1)Cc2ncc(C)n2Cc3ccccc3,0.0
31137,CO-ADD:0291339,6.03,C1(S2)(SC(=C2C(OCC)=O)C(OCC)=O)C(C(OCC)=O)=C(C(OCC)=O)SC(C(N3C(C(C)C)=O)(C)C)=C1c(cc(C)cc4)c34,0.0
31138,CO-ADD:0288021,6.03,c(C(OC)=O)(sc(c12)cc(cc1[N+](=O)[O-])[N+](=O)[O-])c2N,0.0
31139,CO-ADD:0291097,6.03,N1(c(cc2)ccc2N(CC3)CCO3)C(c4ccc(c(OC)c4)OCc(cc5)ccc5Cl)N(N=C1C(C)=O)c6ccc(cc6)Cl,0.0
31140,CO-ADD:0286592,6.03,c1(\N=C/c(ccc2c(cccc3[N+](=O)[O-])c3)o2)sc(c4c1C(=O)NCc5ccccc5)CCCC4,0.0
31141,CO-ADD:0286424,6.03,n1(ncn2)c2NC(C)=CC1=O,0.0
31142,CO-ADD:0286336,6.03,P(CCOCCOCCP(c1ccccc1)(c2ccccc2)=O)(c3ccccc3)(c4ccccc4)=O,0.0
31143,CO-ADD:0286377,6.03,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(ccc(c56)OCO5)c6)cccc4,0.0
31144,CO-ADD:0292714,6.03,c1(NC(COc2ccccc2)=O)nnc(Cc(cc3)ccc3Cl)s1,0.0
31145,CO-ADD:0295496,6.03,C12(c3c(NC1=O)ccc(Cl)c3)C(C#N)=C(N)Oc([nH]n4)c2c4c5ccccc5,0.0
31146,CO-ADD:0296092,6.03,c(nn(c12)c(C)cc(C)n1)(S(=O)(=O)Nc3c(OC)ccc(OC)c3)n2,0.0
31147,CO-ADD:0296123,6.03,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2F)N3CCC(CC3)C,0.0
31148,CO-ADD:0292524,6.03,N(C(C)=O)(c1c2cccc1)C(c3ccccc3)CC(N2Cc4ccccc4)=O,0.0
31149,CO-ADD:0292670,6.03,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc(cc4)ccc4CC)n2,0.0
31150,CO-ADD:0293096,6.03,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCC2)C(=O)NC(C)C,0.0
31151,CO-ADD:0292316,6.03,c1(nc(Nc(cc2)ccc2C)c(n3)Nc4ccccc4F)c3non1,0.0
31152,CO-ADD:0294475,6.02,N(CC)(C(NNC(N)=S)C(N1CC)NNC(N)=S)C1=O,0.0
31153,CO-ADD:0293320,6.02,c1(c(ccc(C)c1Br)NC2=O)C2=O,0.0
31154,CO-ADD:0292317,6.02,c1(non2)c2nc(NC)c(Nc(cc3)ccc3Cl)n1,0.0
31155,CO-ADD:0290686,6.02,C(=N/c(cc1)ccc1C)(/c(cccn2)c23)\c4c3ccc(c4)[N+](=O)[O-],0.0
31156,CO-ADD:0290726,6.02,n1(c2c(nn1)cc(Cl)cc2)S(=O)(=O)c3ccc(c(C)c3)Cl,0.0
31157,CO-ADD:0287495,6.02,c1(NC(CSc2ccccc2)=O)nnc(C)s1,0.0
31158,CO-ADD:0290488,6.02,c1(S(CCC)(=O)=O)c(C(OC)=O)n2c(c3c(cc2)cccc3)c1S(CCC)(=O)=O,0.0
31159,CO-ADD:0290721,6.02,S(=O)(=O)(Oc1c(Cl)cc(c(cccn2)c12)Cl)c3ccc(cc3Br)Br,0.0
31160,CO-ADD:0290537,6.02,N1(c2ccc(cc2)OC)C(=O)CC(N(CCc(cc3)ccc3OC)C(=O)c4cccc(F)c4)C1=O,0.0
31161,CO-ADD:0285885,6.02,C(=C\c1ccccc1OCc(cc2)ccc2F)(/C(=O)NC(N3CC=C)=O)\C3=O,0.0
31162,CO-ADD:0285254,6.02,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)OC)=C(O)C(N2c4ccccn4)=O,0.0
31163,CO-ADD:0285262,6.02,c1(SCC(=O)c(cc2)ccc2C(=O)CSc3nc(CCCC)ccc3C#N)nc(CCCC)ccc1C#N,0.0
31164,CO-ADD:0284984,6.02,N1(Cc2ccccc2)\C(=N\c(cc3)ccc3OC)\SC=C1c4ccc(cc4)C.Br,0.0
31165,CO-ADD:0285840,6.02,c1(C#N)c(C)c(CC)c(nc1SCC(=O)c2ccc(cc2)Cl)C,0.0
31166,CO-ADD:0285307,6.02,c1(C(OCC)=O)c2c(n(c3ccccc3)c1C)cc(Br)c(O)c2CN4CCCCC4,0.0
31167,CO-ADD:0285587,6.02,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n1,0.0
31168,CO-ADD:0299802,6.02,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(cc3OC)cc(c3O)OC)\C1=O)=O,0.0
31169,CO-ADD:0285557,6.02,C(OC)(=O)c1ccc(cc1)NC(COc2cccc(cccc3)c23)=O,0.0
31170,CO-ADD:0299556,6.02,c1(sc(cc1C(OCC)=O)CC)NC(=O)c2cc(ccc2N3CCCCC3)[N+](=O)[O-],0.0
31171,CO-ADD:0292516,6.02,N(CCC(N1C)=O)(C(C)=O)c2c1cccc2,0.0
31172,CO-ADD:0295162,6.02,n1(C)c(S)nnc1c(cc2)ccn2,0.0
31173,CO-ADD:0295142,6.02,c1(C(OCC)=O)oc(c2c1NC(=O)CCN3CCCCC3)ccc(Br)c2,0.0
31174,CO-ADD:0293528,6.02,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(c(OC)c3)OC)=C(O)C(N2CCCCCC(O)=O)=O,0.0
31175,CO-ADD:0292464,6.02,C1(C(c2ccccc2)N3)=C(CN(c4cccc(O)c4)C1=O)N(C3=O)C,0.0
31176,CO-ADD:0293542,6.02,c1(C(O)(c2ccccc2)c3ccc(cc3)C)n(C)c4c(cccc4)n1,0.0
31177,CO-ADD:0294430,6.02,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(OC)cc4[N+](=O)[O-])c4)c1Cl,0.0
31178,CO-ADD:0294424,6.02,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)NC4CCCCC4)c1Cl,0.0
31179,CO-ADD:0295276,6.02,c1(ccc(c(cccn2)c12)N(CC3)CCN3)[N+](=O)[O-],0.0
31180,CO-ADD:0295021,6.02,c12c([nH]nc1C(C)(C)C)OC(N)=C(C#N)C2c3ccc(Br)s3,0.0
31181,CO-ADD:0295446,6.02,c1(NC(=O)C2CC2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccc(cc3OC)OC,0.0
31182,CO-ADD:0292812,6.02,c1(OC(=O)C=C2C)c2c(nn1c3ccc(cc3)Br)C,0.0
31183,CO-ADD:0287850,6.02,c1(cc(Br)ccc1NC(COc2c(C)cccc2C)=O)C(O)=O,0.0
31184,CO-ADD:0291149,6.02,c1(C2c(cc3)ccc3C(C)C)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
31185,CO-ADD:0290981,6.02,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3OC(=O)c4ccc(cc4)OC)=N1,0.0
31186,CO-ADD:0291215,6.02,n1(c2ccccc2)nc(c3n1)ccc(NC(=O)c4ccc(c(cccc5[N+](=O)[O-])c5)o4)c3,0.0
31187,CO-ADD:0290776,6.02,N1(CC=C)C(=O)\C(\SC1=S)=C/c2cccc(C)n2,0.0
31188,CO-ADD:0291194,6.02,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)Nc(ccc(c4C)C)c4,0.0
31189,CO-ADD:0295522,6.02,N1C(c2ccc(c(OCC)c2)OC)SCC1C(O)=O,0.0
31190,CO-ADD:0294613,6.02,c1(oc(c2n1)ccc(c2)NC(=O)c3ccc(c(cccc4[N+](=O)[O-])c4)o3)c5cc(Br)ccc5Cl,0.0
31191,CO-ADD:0294911,6.02,c1(C(N)=O)oc(c2c1NC(=O)CN(CC3)CCO3)ccc(Cl)c2.Cl,0.0
31192,CO-ADD:0295400,6.02,c1(OC(N)=C(C2c3cc(OC)ccc3OC)C#N)c2c(n[nH]1)CC,0.0
31193,CO-ADD:0292283,6.02,c(c1c(s2)CCCC1)(C(=O)N(C)C(=N3)SCC(=O)Nc(ccc(c4s5)nc5SCC(=O)N6CCc(cccc7)c67)c4)c23,0.0
31194,CO-ADD:0290386,6.02,C1(CC(CC12)CC2)OC(CCC(O)=O)=O,0.0
31195,CO-ADD:0285150,6.02,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(cn(n4)C(C)=O)c4c5ccccc5)\C1=O,0.0
31196,CO-ADD:0285190,6.02,C(c1c(cccc1)NC2(C)C)(C3=S)=C2SN3Cc(cc4)ccc4Cl,0.0
31197,CO-ADD:0290701,6.02,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2C)C)n3c(c4c(cc3)cccc4)c1S(CCC)(=O)=O,0.0
31198,CO-ADD:0290557,6.02,C(/N(CC=C)CCc1ccccc1)(\SCc2ccccc2)=N\CC(=O)c3ccc(cc3)Br.Br,0.0
31199,CO-ADD:0287834,6.02,N1(c2ccc(cc2)OCC(O)=O)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
31200,CO-ADD:0285230,6.02,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3)\C(N(c5ccccc5)C1=S)=O,0.0
31201,CO-ADD:0285302,6.02,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)OC)C3c5ccc(c(OC)c5)OCC,0.0
31202,CO-ADD:0299392,6.02,N1(c2ccc(cc2C)C)C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
31203,CO-ADD:0286674,6.02,c1(NC(=O)c2cccc(C)c2)sc(c3c1C(=O)NCc4ccco4)CCCCC3,0.0
31204,CO-ADD:0286883,6.01,N(C(=O)\C(\S1)=C/c2cc(Br)ccc2OC)=C1N3CCCC3,0.0
31205,CO-ADD:0291972,6.01,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4)ccc4N(CC)CC)cccc3,0.0
31206,CO-ADD:0299501,6.01,[N+](=O)([O-])c1ccc(cc1)\C=N\Nc(cc2)ccc2Cl,0.0
31207,CO-ADD:0299727,6.01,c1(cc(ccc1N(CC2)CCN2C(c3ccccc3)c4ccc(cc4)Cl)[N+](=O)[O-])[N+](=O)[O-],0.0
31208,CO-ADD:0299545,6.01,n1(c2c(nn1)cccc2)c3nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n3,0.0
31209,CO-ADD:0299573,6.01,c1(cc(ccc1N(CC2)CCN2CCO)[N+](=O)[O-])C(F)(F)F,0.0
31210,CO-ADD:0293722,6.01,S1(=O)(=O)c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2C(OC)=N1,0.0
31211,CO-ADD:0294682,6.01,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCC(=O)Nc(ccc(c4s5)nc5SCC(NCCOc(cc6)ccc6Cl)=O)c4)N3c7ccccc7,0.0
31212,CO-ADD:0295620,6.01,c12c(nnc(SC(CC)C(=O)Nc(cc3)ccc3OC(F)(F)F)n1)c4c(cccc4)n2CC,0.0
31213,CO-ADD:0292951,6.01,C1(c2ccccc2)(NNC(N3)=S)C3(c4ccccc4)N(C(=O)N1C)C,0.0
31214,CO-ADD:0293056,6.01,c(N(CCNC(=O)CCN1c(c(F)c2F)c(F)c(n2)F)CCC(=O)NCC1)(c(F)c3F)c(F)c(n3)F,0.0
31215,CO-ADD:0295094,6.01,N1(Cc2ccccc2)C(=O)c(c3C1(O)CC(O)=O)cccc3,0.0
31216,CO-ADD:0295756,6.01,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c3c1C(OC)=O)CCCCC3,0.0
31217,CO-ADD:0293063,6.01,C1(CC2CC(C1)CC3(C2)C(=O)Nc4ccc(cc4F)F)(C3)n(c5)ncn5,0.0
31218,CO-ADD:0293111,6.01,c1(NC(COc(cc2)ccc2Cl)=O)sc(c(CCN3C(OCC)=O)c1C(OCC)=O)C3,0.0
31219,CO-ADD:0296005,6.01,c1(cc(ccc1N2CC(C)CC(C)C2)n3cnnn3)[N+](=O)[O-],0.0
31220,CO-ADD:0295448,6.01,c1(NC(=O)c(cc2OC)cc(c2OC)OC)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccc(cc3OC)OC,0.0
31221,CO-ADD:0295903,6.01,c1(OC(N)=C(C2c3cccc(OC)c3OC)C#N)c2c(n[nH]1)CCC,0.0
31222,CO-ADD:0290703,6.01,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)OC)n3c(c4c(cc3)cccc4)c1S(CCC)(=O)=O,0.0
31223,CO-ADD:0290424,6.01,c1(NC(=O)c2ccc(cc2)C)n(c3ccccc3)ncc1C(=O)N(CC)CC,0.0
31224,CO-ADD:0285212,6.01,c(cn(n1)c2ccccc2)(c1c3ccc(cc3)Cl)C4NC(=S)NC(C)=C4C(OCC)=O,0.0
31225,CO-ADD:0290441,6.01,c1(C#N)c2c(sc1N)CCCC2,0.0
31226,CO-ADD:0290667,6.01,n1(C(C)=O)c2c(nc1SCC(=O)Nc3ccccc3)cccc2,0.0
31227,CO-ADD:0290523,6.01,N1(CC(=O)N(CC)CC)c(cccc2)c2\C(=C(\C#N)/C(N)=O)\C1=O,0.0
31228,CO-ADD:0293957,6.01,c1(C(=O)c2ccc(cc2)Cl)oc(c3c1C)ccc4c3OC(=O)C=C4C,0.0
31229,CO-ADD:0293391,6.01,C1(N2)=C(C(C3=C2c4c(C3=O)cccc4)c5ccccc5)C(NC(=O)N1C)=O,0.0
31230,CO-ADD:0294476,6.01,c1(nnc(Cc(ccc(c2OC)OC)c2)s1)NC(=O)c3cccc(I)c3,0.0
31231,CO-ADD:0295296,6.01,S(=O)(=O)(c1ccc(cc1)C)CCN(CC2)CCC2(O)c3ccccc3.Cl,0.0
31232,CO-ADD:0294845,6.01,C(=C/C(c1ccccc1)=O)(/Nc(cccn2)c2N3)\C3=O,0.0
31233,CO-ADD:0294450,6.01,C1(C(OCC)=O)=C(NCCCC)c2c(cccc2)NC1=O,0.0
31234,CO-ADD:0287554,6.01,C(=O)(c1cccc(c1)C#CC2(CCCCC2)O)N(CC3)CCC3C(N)=O,0.0
31235,CO-ADD:0291393,6.01,N1(c2c(Cl)ccc(C(O)=O)c2)C(=O)C(C(C3c(c45)cccc4)C1=O)C5c6c3cccc6,0.0
31236,CO-ADD:0287705,6.01,C(/Sc1n2c3c(cccc3)n1)(\C2=O)=C(\S\C(\C4=O)=C(/Sc(c56)ccc(OC)c5)\N6C)/N4C,0.0
31237,CO-ADD:0287486,6.01,N1(c2ccccc2)C(=O)c3c(N=C1c4ccccn4)cccc3,0.0
31238,CO-ADD:0287167,6.01,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc5c(C)cc(cc5C)C)c3)n1C,0.0
31239,CO-ADD:0290809,6.01,c1(c2c(C)cc(cc2C)C)nnc(c(cccc3[N+](=O)[O-])c3)o1,0.0
31240,CO-ADD:0291980,6.01,n1(c(cccc2C(F)(F)F)c2)nc(c3n1)ccc(NC(COc(ccc(c4C)C)c4)=O)c3,0.0
31241,CO-ADD:0291525,6.01,c1(NC(N)=N)nc(C)c(c2n1)cccc2OCC,0.0
31242,CO-ADD:0292037,6.0,c1(nnc(CCCCC)s1)NC(=O)c(cc2)ccc2C(C)(C)C,0.0
31243,CO-ADD:0285827,6.0,N12C(NC(=O)c(c3c(CCCC3)s4)c14)=C(C(c(cc5OC)cc(c5OC)OC)C6=C2CCCC6=O)C#N,0.0
31244,CO-ADD:0286100,6.0,N1(c2cccc(cccc3)c23)C(=O)C(CC1=O)SC(=N)N4C(c5ccc(cc5)Br)CC(c6cccs6)=N4,0.0
31245,CO-ADD:0291083,6.0,C(/c1c2cccc1)(\c(cccn3)c23)=C(\C=C(O4)c5ccc(c(C)c5)C)/C4=O,0.0
31246,CO-ADD:0299766,6.0,c(OCC)(c(OCC)c1)c(OCC)cc1C(NCCCCc2ccccc2)=O,0.0
31247,CO-ADD:0285599,6.0,N1(C(CCCCCCC)=O)c2c([C@]([H])(CN(C)CC3)[C@]13[H])cc(C)cc2.Cl,0.0
31248,CO-ADD:0290991,6.0,N1=C(SCCC(O)=O)Nc(c2C1=O)cccc2,0.0
31249,CO-ADD:0285771,6.0,c1(SCC(=O)NC(c2ccccc2)c3ccccc3)sc4c(ccc(c4)NC(CCc5ccccc5)=O)n1,0.0
31250,CO-ADD:0285067,6.0,C(c1ccccc1)(=O)NC(C)(C)Cc(cc2)ccc2O,0.0
31251,CO-ADD:0291006,6.0,C(=N/NC(=O)c1ccc(c2c1O)cccc2)(/c3c(N4CC)cccc3)\C4=O,0.0
31252,CO-ADD:0295485,6.0,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5)OC.Cl,0.0
31253,CO-ADD:0293189,6.0,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c4cccc(c4)OCc(cc5)ccc5Cl)\C1=O,0.0
31254,CO-ADD:0294078,6.0,c1(c2)c(cc(OC)c2NC(CSc3nnc(C)s3)=O)c4c(cccc4)o1,0.0
31255,CO-ADD:0294047,6.0,c1(C2c3ccc(cc3)OCCCC)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
31256,CO-ADD:0293648,6.0,c1(Cl)cc(Cl)ccc1NN.Cl,0.0
31257,CO-ADD:0295187,6.0,C(C(OCC)=O)(C(c1ccc(cc1)Br)N2)=C(C)N(C2=O)CCO,0.0
31258,CO-ADD:0294138,6.0,C1(=O)N(c2ccccc2)Nc(nc(c3ccccc3)cc4C(F)(F)F)c14,0.0
31259,CO-ADD:0295388,6.0,C1(c2ccccc2[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(cccc3[N+](=O)[O-])c3,0.0
31260,CO-ADD:0293925,6.0,c1(ccc(c(OC)c1OC)OC)C(=O)Nc(c2)cc3c(cccc3)n2,0.0
31261,CO-ADD:0293598,6.0,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1F)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
31262,CO-ADD:0292656,6.0,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc(c(Cl)ccc4C(F)(F)F)c4)n2,0.0
31263,CO-ADD:0294641,6.0,C1(=O)c2c(ccc(I)c2)N=C(C)N1c3ccc(cc3)OC,0.0
31264,CO-ADD:0290731,6.0,S(=O)(=O)(c1ccc(cc1C)Cl)Oc2cccc(ccc(C)n3)c23,0.0
31265,CO-ADD:0290427,6.0,c1(NC(=O)c2ccc(cc2)C)n(c3ccccc3)ncc1C(=O)N(CC4)CCO4,0.0
31266,CO-ADD:0290420,6.0,n12c(S\C(=C/c(ccc3c4ccc(cc4[N+](=O)[O-])OC)o3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
31267,CO-ADD:0285177,6.0,N1(Cc2cccc(cccc3)c23)c(cccc4)c4\C(=N\NC(=O)c5cccc(Cl)c5)\C1=O,0.0
31268,CO-ADD:0290461,6.0,c12c(nnc(S)n1)c3c(cccc3)n2CC(O)=O,0.0
31269,CO-ADD:0293008,6.0,C1(SCC(=O)N1c2ccc(c(C)c2)C)(c3c(N4CN(CC5)CCC5C(OCC)=O)cccc3)C4=O,0.0
31270,CO-ADD:0294579,6.0,c1(c2c(sc1NC(Cc3ccccc3)=O)CCC2)C(=O)Nc(cc4)ccc4C,0.0
31271,CO-ADD:0295164,6.0,C(=O)(N(CC1)CCN1c2ccccc2C)c3ccccc3O,0.0
31272,CO-ADD:0295129,6.0,C12=C(C(N(c3ccc(cc3)C)C1=O)c4ccccc4)\C(\C(=O)N2c5ccc(cc5)C)=C\c(cccc6[N+](=O)[O-])c6,0.0
31273,CO-ADD:0292490,6.0,N1(CN(CC2)CCN2c3ccc(cc3)F)c(cccc4)c4\C(=N\c5cccc(Br)c5)\C1=O,0.0
31274,CO-ADD:0293986,6.0,N1(CC(=O)Nc2ccccc2)C(=O)c3c(C(C)=N1)cccc3,0.0
31275,CO-ADD:0291186,6.0,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Sc(cc4)ccc4Br)cc5[N+](=O)[O-])c5)c1Cl,0.0
31276,CO-ADD:0291156,6.0,c1(C2c3ccccc3Cl)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
31277,CO-ADD:0291220,6.0,C(=C/c(ccc(c1[N+](=O)[O-])N(CC2)CCN2C)c1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
31278,CO-ADD:0299451,5.99,c1(ccc(cc1N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])N(CC4)CCN4)[N+](=O)[O-],0.0
31279,CO-ADD:0299453,5.99,[N+](=O)([O-])c1ccc(cc1NCCCN(CC2)CCO2)N(CC3)CCO3,0.0
31280,CO-ADD:0300080,5.99,c1(N2CCCC2)nc(Cl)cc(N3CCCC3)n1,0.0
31281,CO-ADD:0300097,5.99,c1(nnnn1c2ccc(cc2)OC)C3(CCCCC3C)Nc(cc4)ccc4C,0.0
31282,CO-ADD:0290322,5.99,C(=N\c(cc1)ccc1OC(F)(F)F)(/SC=C2c3ccc(c(F)c3)OC)\N2CCc(cc4)ccc4S(N)(=O)=O.Br,0.0
31283,CO-ADD:0289313,5.99,C(OC)(=O)C1(CCCCN1)C.Cl,0.0
31284,CO-ADD:0299819,5.99,C(=C/c1ccc(c(cccc2)c12)OC)(/C(=O)NC(N3C)=O)\C3=O,0.0
31285,CO-ADD:0286344,5.99,C12(N(CC3)CCO3)C(CCCC1)=Cc(c4O2)cc(cc4Cl)Cl,0.0
31286,CO-ADD:0286665,5.99,c1(SC(C2)(C3)CC(C4)CC2CC34)nc(c5n1Cc6ccccc6Cl)cccc5,0.0
31287,CO-ADD:0286958,5.99,c1(c2c3c(cccc3)c(c(cccc4)c24)Cl)[nH]c(c(c(cc5)ccc5c(cc6)ccc6[N+](=O)[O-])n1)c7ccccc7,0.0
31288,CO-ADD:0286791,5.99,N1(CNc(cc2)ccc2C)N=C(OC1=S)c(cc3OC)cc(c3OC)OC,0.0
31289,CO-ADD:0299563,5.99,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1Br)C(=O)Nc2ccccc2C,0.0
31290,CO-ADD:0288634,5.99,C(=O)(OC(C)(C)C)N(C1)CCC(C1)n2c(C3CC3)ncc2C,0.0
31291,CO-ADD:0294377,5.99,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)NC(=O)c4cc(c5o4)cccc5,0.0
31292,CO-ADD:0293309,5.99,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1N,0.0
31293,CO-ADD:0293393,5.99,C1(N2)=C(C(C3=C2c4c(C3=O)cccc4)c5ccc(cc5)Cl)C(NC(=O)N1C)=O,0.0
31294,CO-ADD:0292220,5.99,C(=C\c(ccc1c(ccc(c2[N+](=O)[O-])OC)c2)o1)(/C(C)=NN3c4cccc(Br)c4)\C3=O,0.0
31295,CO-ADD:0292587,5.99,C(=O)(c1ccc(cc1)OCC)Nc(cc2)ccn2,0.0
31296,CO-ADD:0292920,5.99,C(O)(=O)CCS(CCCCCCCC)=O,0.0
31297,CO-ADD:0295590,5.99,C(F)(F)(F)Oc(cc1)ccc1NC(CCl)=O,0.0
31298,CO-ADD:0295399,5.99,c1(OC(N)=C(C2c3c(cccc3Cl)F)C#N)c2c(n[nH]1)CC,0.0
31299,CO-ADD:0293844,5.99,N1C(S\C=C\c2ccccc2)=NC(=C(CC)C1=O)C,0.0
31300,CO-ADD:0292595,5.99,C(=C(/C=Cc(c12)cc(cc1)C)\N2CC)(/N(C)C(N3C)=S)\C3=O,0.0
31301,CO-ADD:0292987,5.99,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)OCCC)cccc4,0.0
31302,CO-ADD:0295833,5.99,c12c(n(cn1)CC(=O)Nc3cccc(cccc4)c34)C(N(C)C(=O)N2C)=O,0.0
31303,CO-ADD:0295987,5.99,c1(nn(cn1)CC(=O)Nc2sc(c3c2C(N)=O)CCC3)[N+](=O)[O-],0.0
31304,CO-ADD:0294102,5.99,C1(NC(CSc2sc3c(ccc(c3)NC(=O)c4ccc(cc4)Cl)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
31305,CO-ADD:0293206,5.99,c1(c(C)nc2n1cccn2)c3csc(Nc4ccc(cc4Br)Br)n3.Br,0.0
31306,CO-ADD:0293235,5.99,c1(C2C(CC=C2)C(N3)c4ccccc4)c3c(O)cc(Cl)c1[N+](=O)[O-],0.0
31307,CO-ADD:0295394,5.99,c1(C2c3cc(OC)c(cc3OC)OC)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
31308,CO-ADD:0293782,5.99,N1(Cc2ccccc2)C(=O)c3c(N=C1SCC(N)=O)cccc3,0.0
31309,CO-ADD:0291243,5.99,N1(CCc(cccc2)c12)C(=O)CSc3sc4c(ccc(c4)NC(=O)c5ccccc5OC)n3,0.0
31310,CO-ADD:0299319,5.99,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)CC(N(CC)CC)C1=O,0.0
31311,CO-ADD:0299519,5.99,C12=C(COC1=O)Nc(c3SC2c(ccc(c45)OCO4)c5)cccc3,0.0
31312,CO-ADD:0291244,5.99,N1(CCc(cccc2)c12)C(=O)CSc3sc4c(ccc(c4)NC(C)=O)n3,0.0
31313,CO-ADD:0291300,5.99,N(\C(=C/c1ccccc1OCCc2ccccc2)\C(O3)=O)=C3c4ccc(cc4)Cl,0.0
31314,CO-ADD:0299464,5.99,n1(c2c(C)ccc(c2)[N+](=O)[O-])c(c3ccc(cc3)Cl)cc(c4ccc(cc4)Cl)n1,0.0
31315,CO-ADD:0287969,5.99,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(cc5)ccc5N(CC)CC)cccc4,0.0
31316,CO-ADD:0287323,5.99,C12=C(C(Nc3c1cc(C)cc3C)(C)C)SN(c4ccc(cc4)Cl)C2=S,0.0
31317,CO-ADD:0287637,5.99,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccc(cc2)Cl)\N=C(/N)\N,0.0
31318,CO-ADD:0287373,5.99,N1(CNc(cccc2C(F)(F)F)c2)c3c(OC1=S)cccc3,0.0
31319,CO-ADD:0287669,5.99,c1(s2)c(CC(C)(C)CC1=O)nc2NC(=O)c(cc3)ccc3N4C(=O)CCC4=O,0.0
31320,CO-ADD:0291073,5.99,C(C(=O)c1ccc(cc1)C)(C2c3cccc(F)c3)=C(O)C(N2CCCn(ccn4)c4)=O,0.0
31321,CO-ADD:0291031,5.99,c1(OC(N)=C(C2c3c4c(cccc4)cc(cccc5)c35)C#N)c2c(n[nH]1)C,0.0
31322,CO-ADD:0286514,5.99,n(c1c2ccc(cc2)Cl)n(c3ccccc3)cc1\C=C(\C(=O)NCC(C)C)/NC(c4ccccc4)=O,0.0
31323,CO-ADD:0286955,5.99,C12=C(SC\C(=N\NC(N)=S)\CS1)SC(=O)S2,0.0
31324,CO-ADD:0285511,5.99,N1(c(ccc(c2s3)nc3SCC(=O)c4ccc(cc4)Cl)c2)C(=O)c5c(c6C1=O)c(ccc5)ccc6,0.0
31325,CO-ADD:0288994,5.99,N1(OCc2ccccc2)C(=O)c3c(Oc(cc(cn4)C(F)(F)F)c14)cccc3,0.0
31326,CO-ADD:0292030,5.99,s1c(c2ccc(cc2)OC)nnc1NC(CC(C)C)=O,0.0
31327,CO-ADD:0295650,5.99,c12c(c3c(CCCC3)s1)c(nc(c4ccc(c(OC)c4)OCC=C)n2)O,0.0
31328,CO-ADD:0294604,5.99,c1(c2ccc(cc2)OC(=O)c(ccc(c3Br)OCC)c3)sc4c(ccc(C)c4)n1,0.0
31329,CO-ADD:0294632,5.99,c12c(c3c(CCCC3)s1)C(NC(SCc(cc4)ccc4C(OC)=O)=N2)=O,0.0
31330,CO-ADD:0294419,5.98,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(OC)=O)c1Cl,0.0
31331,CO-ADD:0293038,5.98,N1(c2ccccc2OC)C(=O)C(CC1=O)S\C(\NCc3ccccc3)=N\c(cc4)ccc4OC(F)(F)F,0.0
31332,CO-ADD:0293011,5.98,c(c1c2ccccc2)(C3c4cc(Cl)cc(Cl)c4OC(=O)N(CC5)CCO5)c([nH]n1)OC(N)=C3C#N,0.0
31333,CO-ADD:0295809,5.98,C1(NC(COc2ccc(cc2C)Cl)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
31334,CO-ADD:0293242,5.98,N1C(C(O)=O)C(CC=C2)C2c(cccc3O)c13,0.0
31335,CO-ADD:0294847,5.98,c1(no[n+]([O-])c1c2nonc2N)c3nonc3NCn4c5c(nn4)cccc5,0.0
31336,CO-ADD:0292974,5.98,c1(NC(=O)c2ccc(cc2)C)sc(c3c1C(=O)NCc4ccco4)CC(CC3)C,0.0
31337,CO-ADD:0294136,5.98,S1(=O)(=O)c(cccc2)c2C(=N\C(=C\c(cccc3[N+](=O)[O-])c3)\C4=O)N14,0.0
31338,CO-ADD:0293493,5.98,C(/c1c2cc(C)cc1)(\C(=S)C(N2C(=O)\C=C\c(cc3)ccc3[N+](=O)[O-])(C)C)=C(\S4)/SC(=C4C(OC)=O)C(OC)=O,0.0
31339,CO-ADD:0295100,5.98,S(=O)(=O)(NC(C)c1ccc(cc1)Br)c2cccc(cccc3Cl)c23,0.0
31340,CO-ADD:0295195,5.98,n1(c2c(n3)cccc2)c3S\C(=C/c4cccc(O)c4)\C1=O,0.0
31341,CO-ADD:0294451,5.98,C12(CCCCC1)C(=O)OC(C(C)(C)C2=O)\C=C\C,0.0
31342,CO-ADD:0292390,5.98,c(c(C)c(s1)C)(C2=O)c1N=C(SCc(cccc3C(F)(F)F)c3)N2c4ccccc4,0.0
31343,CO-ADD:0295415,5.98,c12c([nH]nc1c(cccc3[N+](=O)[O-])c3)OC(=C(C(OCC)=O)C24c5c(NC4=O)cccc5)N,0.0
31344,CO-ADD:0299457,5.98,c1(cc(ccc1N(CC2)CCN2C(=O)c3cc(F)c(cc3Cl)F)[N+](=O)[O-])C(F)(F)F,0.0
31345,CO-ADD:0299497,5.98,N1(c2cccc(Cl)c2)C(=O)C=CC(=O)N1,0.0
31346,CO-ADD:0287201,5.98,c12c(nnc(SCC(=O)Nc(cc3)ccc3Cl)n1)c(c4n2C)cc(cc4)Br,0.0
31347,CO-ADD:0287489,5.98,n12c(S\C(=C/c(cc3)ccc3[N+](=O)[O-])\C1=O)nnc2c4ccc(cc4)C,0.0
31348,CO-ADD:0287134,5.98,P(O)(O)(=O)C(CN1CCCCC1)CP(O)(O)=O,0.0
31349,CO-ADD:0287174,5.98,c1(O2)c(cc(c(OC(NCCCC)=O)c1Br)Br)SC2=O,0.0
31350,CO-ADD:0285422,5.98,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCCC2)C(=O)N4CCCCCC4,0.0
31351,CO-ADD:0287682,5.98,N12C(S\C(=C\c(cc(n3c4ccc(cc4)Cl)C)c3C)\C1=O)=NC(C)=C(C(C)=O)C2c5ccccc5OC,0.0
31352,CO-ADD:0287967,5.98,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cccc(Oc6ccccc6)c5)cccc4,0.0
31353,CO-ADD:0287609,5.98,C(=N\c(cc1)ccc1C)(/SC(C2=O)Cc(cccc3C(F)(F)F)c3)\N2,0.0
31354,CO-ADD:0287898,5.98,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)F)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
31355,CO-ADD:0287308,5.98,C(=S)(c1ccc(cc1)OC)N2CCC(CC2)C,0.0
31356,CO-ADD:0292082,5.98,[n+]1(CCCS(=O)(=O)[O-])c2c(oc1\C=C/Nc3ccccc3)ccc(c4ccccc4)c2,0.0
31357,CO-ADD:0287375,5.98,C1(C(c2ccccn2)C3=C(O)NC(=S)NC3=O)=C(O)NC(=S)NC1=O,0.0
31358,CO-ADD:0290353,5.98,C(C#N)(C(c(ccs1)c1)C2=C(N3c4ccc(cc4OC)OC)CCCC2=O)=C3N,0.0
31359,CO-ADD:0287272,5.98,N1(c2ccccc2)C(=O)\C(=C\c3ccc(cc3O)O)\C(NC1=S)=O,0.0
31360,CO-ADD:0287914,5.98,C(F)(F)(F)c(cc(C)nc1SCc2c(cccc2Cl)Cl)n1,0.0
31361,CO-ADD:0293134,5.98,c12c(c3c(cccc3)o1)N=C(Cc4ccccc4)NC2=O,0.0
31362,CO-ADD:0292745,5.98,N(C(=O)CCN1C(C)=O)(C(c2ccccc2)=O)c3c1cccc3,0.0
31363,CO-ADD:0295124,5.98,c1(c(C)oc(C(C)(C)C)c1)C(=O)NN(C)C,0.0
31364,CO-ADD:0296114,5.98,c1(c2ccccc2)nonc1OCCN(CC3)CCN3c(cc4)c5c(c4[N+](=O)[O-])cccn5,0.0
31365,CO-ADD:0295657,5.98,c12c(c3c(CCCC3)s1)c(nc(c4ccc(cc4)Cl)n2)O,0.0
31366,CO-ADD:0295125,5.98,c(c(C)on1)(c1c2ccccc2)C(=O)NN(C)C,0.0
31367,CO-ADD:0293854,5.98,n1(C)c(c2ccccc2)nnc1Sc(ccc(c3C(O)=O)[N+](=O)[O-])c3,0.0
31368,CO-ADD:0294633,5.97,n1c(SCC)ncc(C(OCC)=O)c1O,0.0
31369,CO-ADD:0292394,5.97,N1(C)\C(=N/C)\S\C(=C/c(c(cccc2)c2n3CC(O)=O)c3)\C1=O,0.0
31370,CO-ADD:0294798,5.97,n(c1c(n2C)ccc(c1)NCc3cc(OC)ccc3OC)c2C,0.0
31371,CO-ADD:0294791,5.97,N1(c2c(OC1=O)cccc2)C(=O)Nc3ccccc3Cl,0.0
31372,CO-ADD:0292359,5.97,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cccn3)c3)c4sc(c5c4C#N)CCCCC5,0.0
31373,CO-ADD:0295933,5.97,c1(OC(N)=C(C2c3ccccc3OCC)C#N)c2c(n[nH]1)CC,0.0
31374,CO-ADD:0295234,5.97,C(C(C)=O)(C1c(cc2)ccc2C(C)C)=C(O)C(N1Cc3ccco3)=O,0.0
31375,CO-ADD:0294667,5.97,c1(C(N)=O)oc(c2c1N)ccc(Br)c2,0.0
31376,CO-ADD:0293298,5.97,C1(C2c3ccc(cc3)C)=C(CCCC1=O)c4c(ccc5c4cccn5)N2,0.0
31377,CO-ADD:0295019,5.97,c1(C2c3ccc(c4c3)OCO4)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
31378,CO-ADD:0292858,5.97,c1(NC(=O)\C=C\c(cccc2[N+](=O)[O-])c2)sc3c(CCC(C(C)(C)C)C3)c1C(N)=O,0.0
31379,CO-ADD:0287870,5.97,c1(n(CC(=O)N1c2ccc(c3c2)OCCO3)c(c45)C(=O)N(C(=O)N4C)C)n5,0.0
31380,CO-ADD:0287175,5.97,c1(SCC(N)=O)oc2c(ccc(Cl)c2)n1,0.0
31381,CO-ADD:0287199,5.97,[n+]1([O-])onc(N)c1N=Nc(cc2)ccc2OC,0.0
31382,CO-ADD:0287496,5.97,N(CC(C)OC1c2cccs2)(C(c3ccccc3)=O)O1,0.0
31383,CO-ADD:0291532,5.97,c(Sc1nccn1C)(n2)nc(nc2Nc(cc3)ccc3OC)Nc(cc4)ccc4OC,0.0
31384,CO-ADD:0291572,5.97,n1c(c2ccc(cc2)C)csc1\C(\C#N)=C/c(cc3)ccc3CC,0.0
31385,CO-ADD:0287388,5.97,C(=C/c(cc1Br)cc(c1OCc2ccccc2F)Br)(/C(=O)NC(N3CC=C)=O)\C3=O,0.0
31386,CO-ADD:0287684,5.97,c(Sc1nnc(C)s1)(n2)nc(nc2Nc(ccc(c3C)C)c3)Nc(ccc(c4C)C)c4,0.0
31387,CO-ADD:0299690,5.97,N1(Cc2ccco2)C(=O)c(c3C1(O)Cc4ccccc4)cccc3,0.0
31388,CO-ADD:0290639,5.97,c1(ccc(c2)Cl)c2nccc1Nc(cccc3C(O)=O)c3.Cl,0.0
31389,CO-ADD:0299147,5.97,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5)ccc5C(OC)=O)cccc4,0.0
31390,CO-ADD:0287298,5.97,c(\C(\c1ccc(cc1)C)=N\O)(c(C)c(c2c3C)cc4c3OC(C=C4C)=O)o2,0.0
31391,CO-ADD:0291668,5.97,c12c(c(c(C)s1)C)C(OC(c3ccccc3)=N2)=O,0.0
31392,CO-ADD:0286471,5.97,C1(Nc(c2O1)cc(cc2C(C)(C)C)C(C)(C)C)c3c(O)ccc(cccc4)c34,0.0
31393,CO-ADD:0290676,5.97,c(c(OCC)cc(c1[N+](=O)[O-])OCC)(c1)[N+](=O)[O-],0.0
31394,CO-ADD:0299340,5.97,n1(c2c(n3)cccc2)c3S\C(=C/c4c5c([nH]c4C)cccc5)\C1=O,0.0
31395,CO-ADD:0294881,5.97,[n+]1([O-])onc(c(nnc2c3nonc3[N+](=O)[O-])o2)c1O,0.0
31396,CO-ADD:0295923,5.97,C(C#N)(C1c2ccc(cc2)OCC)=C(N)OC(CCCC3=O)=C13,0.0
31397,CO-ADD:0293904,5.97,[N+](=O)([O-])c1ccccc1N(CCc2ccccc2)C(=O)CSc3sc4c(ccc(OCC)c4)n3,0.0
31398,CO-ADD:0293868,5.97,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)NCc(cc4)ccc4C(C)(C)C)c1C)cc(OC)cc3,0.0
31399,CO-ADD:0293260,5.97,N1(c2ccccc2)C(=O)c3c(N=C1SCc(ccc(c4OC)OC)c4)cccc3,0.0
31400,CO-ADD:0294890,5.97,C1(N2)=C(C(C3=C2c4c(C3=O)cccc4)c5cccc(Cl)c5Cl)C(NC(=O)N1C)=O,0.0
31401,CO-ADD:0293977,5.97,c1(CC2(C)C)c(ccc(cccc3)c13)C(N2)CCl.Cl,0.0
31402,CO-ADD:0293962,5.96,n12c(c3c(cccc3)c(NN)n1)nnc2C(F)(F)F,0.0
31403,CO-ADD:0293333,5.96,C(C#N)(C1c2ccccc2Cl)=C(SCC(=O)Nc3ccc(cc3C)C)NC(C)=C1C(C)=O,0.0
31404,CO-ADD:0295072,5.96,c1(C2=O)c(sc3c1CCC(C3)C(C)(C)C)N=C(SCC(=O)c4ccc(cc4)Br)N2c5ccccc5,0.0
31405,CO-ADD:0294002,5.96,N(C(C)(C)C)(\C(\C(C)=O)=N\Nc(cc1)ccc1Cl)\C(\C(C)=O)=N\Nc(cc2)ccc2Cl,0.0
31406,CO-ADD:0295079,5.96,C(=N/Nc1ccccc1)(/C2=O)\N(c3ccc(cc3)OCC)C(=N2)C,0.0
31407,CO-ADD:0292108,5.96,n1c2c(oc1c(cccc3NC(=O)c4cc(c5o4)cccc5)c3)ccc(C)c2,0.0
31408,CO-ADD:0291574,5.96,C1(C#N)=C(SCC(N)=O)NC(C(C#N)C12CCC(CC2)C)=O,0.0
31409,CO-ADD:0287469,5.96,N12C(S\C(=C\c3ccccc3[N+](=O)[O-])\C1=O)=NC(c4ccc(c(OC)c4)O)C(C(OCC)=O)=C2C,0.0
31410,CO-ADD:0299429,5.96,N1(c2cccc(C)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4,0.0
31411,CO-ADD:0299422,5.96,N1(c2cccc(C)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cccc4C(O)=O)c4,0.0
31412,CO-ADD:0299163,5.96,c1(C(=O)N(CC2)CCN2c3ccccc3C)c(C)oc(cc4c5oc(c4C(=O)N(CC6)CCN6c7ccccc7C)C)c1c5,0.0
31413,CO-ADD:0290570,5.96,C(OC(C)=O)(C(OC(C)=O)C(COC(C)=O)OC(C)=O)C(=O)Nc1ccc(cc1C)C,0.0
31414,CO-ADD:0299653,5.96,C1(C)(C(OCC)=O)C(=O)OC(C(C)(C)C1=O)c2ccc(cc2)Cl,0.0
31415,CO-ADD:0285488,5.96,C(C(=O)c1ccc(cc1)C)(C2c3ccc(c(OC)c3)O)=C(O)C(N2CCCCCC)=O,0.0
31416,CO-ADD:0290636,5.96,c1(oc(c2n1)cccc2)N\C(\N)=N\C(=O)C3CC3,0.0
31417,CO-ADD:0289064,5.96,c1(C(=O)Nc(ccc2OC)cc2)sc(nn1)CSCC(O)=O,0.0
31418,CO-ADD:0291320,5.96,c12c(ccc(cccc3)c13)NC(CC2c(cc4)ccc4[N+](=O)[O-])=O,0.0
31419,CO-ADD:0299971,5.96,n1(c2ccccc2)nnnc1SCC(=O)Nc3c(CC)cccc3C,0.0
31420,CO-ADD:0290680,5.96,c(cc(C(C)CCCCCC)cc1[N+](=O)[O-])([N+](=O)[O-])c1OC(=O)\C=C\C,0.0
31421,CO-ADD:0290496,5.96,N(c(cc1)ccc1C(O)=O)(C(=O)c(c23)c4c(nc2C)cccc4)C3=O,0.0
31422,CO-ADD:0293135,5.96,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3Cc(cc4)ccc4Cl)C1=O,0.0
31423,CO-ADD:0295614,5.96,C12(CC(CC(C3)C1)CC3C2)C(=O)N(CC4)CCN4CCNC(=O)C56CC7CC(CC(C7)C5)C6,0.0
31424,CO-ADD:0295710,5.96,c1(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
31425,CO-ADD:0295615,5.96,C(=O)(N(CCOCCOCCN1C(=O)Nc2cccc(cccc3)c23)CCOCC1)Nc4cccc(cccc5)c45,0.0
31426,CO-ADD:0292502,5.96,c1(SCC(=O)NC(C)=O)oc(c2n1)cccc2,0.0
31427,CO-ADD:0292700,5.96,C12=C(c3c(cccc3)CC1C4CCCCC4)N=C(S)NC2=O,0.0
31428,CO-ADD:0296078,5.96,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc5)cc(c5OC(C)=O)OC)cccc4,0.0
31429,CO-ADD:0293039,5.96,N1(c2ccccc2OC)C(=O)C(CC1=O)S\C(\NCC)=N\c(cc3)ccc3OC(F)(F)F,0.0
31430,CO-ADD:0295722,5.96,C(F)(F)(F)c(cc(C)nc1SCC(=O)Nc2ccc(cc2F)F)n1,0.0
31431,CO-ADD:0292688,5.96,C1(=S)N(c2ccc(cc2)Br)C3(\C(=N/CC(OCC)=O)\N1)CCCCC3,0.0
31432,CO-ADD:0295922,5.96,C(=O)(c(cc1)ccc1C#Cc2ccccc2)N(CC3)CCN3C,0.0
31433,CO-ADD:0292882,5.96,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc4c5ccccc5[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
31434,CO-ADD:0299400,5.96,N1(c2cccc(c2)C(=O)Nc(cc3)ccc3OCc4ccccc4)C(=O)c(c5C1=O)cccc5,0.0
31435,CO-ADD:0286607,5.96,c1(C2c3ccc(cc3)OC)c(CCN2C(=O)c4ccc(c(Cl)c4)Cl)c5c(cccc5)[nH]1,0.0
31436,CO-ADD:0286624,5.96,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C\CCc3ccccc3)c4nonc4N,0.0
31437,CO-ADD:0299162,5.96,C1(C)(C)N(C)c2c(c3N1C)c(c(C=O)cc2)c(cc3)C=O,0.0
31438,CO-ADD:0288858,5.96,C(C)CNC(NCC#C)=O,0.0
31439,CO-ADD:0292112,5.96,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(Br)cc(Br)c5OCc6ccc(cc6Cl)Cl,0.0
31440,CO-ADD:0287294,5.96,N1(CCCC1C(=O)Nc2cccc(C)n2)C(=O)OCc3ccccc3,0.0
31441,CO-ADD:0287897,5.96,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c(cccn1)c1)Nc2sc(c3c2C#N)CCCC3,0.0
31442,CO-ADD:0299786,5.95,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c3ccc(cc3OC)OC)\C1=O)=O,0.0
31443,CO-ADD:0285549,5.95,c1(N(CC2)CCO2)oc(nc1C#N)c3ccc(cc3)OC,0.0
31444,CO-ADD:0291799,5.95,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc4c(ccc(c5Cl)Cl)c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
31445,CO-ADD:0286381,5.95,c12c(ccc(cccc3)c13)C(CC(=O)N2)c4ccc(Br)s4,0.0
31446,CO-ADD:0290409,5.95,C1(C(=O)c2ccc(cc2)OC)=C(O)C(NC1c3ccc(cc3)F)=O,0.0
31447,CO-ADD:0287471,5.95,n(c1ccc(cc1)I)(c2C)c(C)cc2\C=N\c(cc3)ccc3OC,0.0
31448,CO-ADD:0293410,5.95,n1(c2ccc(cc2)Cl)nnnc1SCc([nH]nn3)n3,0.0
31449,CO-ADD:0293386,5.95,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5c(C)[nH]cn5,0.0
31450,CO-ADD:0295110,5.95,c(c1C)([N+](=O)[O-])c(Cl)nc(Cl)c1C(=O)NC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
31451,CO-ADD:0295481,5.95,c1(NC(=S)NC(=O)c2ccc(cc2Cl)Cl)sc(c3c1C#N)CCCC3,0.0
31452,CO-ADD:0296161,5.95,N(/c(cc1)ccc1C)=C\c(cc2)ccc2O,0.0
31453,CO-ADD:0293519,5.95,c1(OC(N)=C(C2c3cc(OCO4)c4cc3[N+](=O)[O-])C#N)c2c(n[nH]1)CCC,0.0
31454,CO-ADD:0295436,5.95,c1(ccc(\C=C\C(=O)n2cccn2)o1)[N+](=O)[O-],0.0
31455,CO-ADD:0293006,5.95,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])\N=C(\SCc2ccccc2)/SCc3ccccc3,0.0
31456,CO-ADD:0295342,5.95,C(OC)(=O)c1ccc(c(OC)c1)OCc2ccccc2Cl,0.0
31457,CO-ADD:0294907,5.95,c1(C(=O)CO2)c2c(NC(CCl)=O)cc3c1OC(=O)C=C3C,0.0
31458,CO-ADD:0293885,5.95,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c3cc(OCO4)c4cc3[N+](=O)[O-])\C1=O)=O,0.0
31459,CO-ADD:0295819,5.95,N1(c2ccc(cc2)OCCCC)C(=O)C(CC1=O)NCC#N,0.0
31460,CO-ADD:0286777,5.95,N1(c2c(OC)ccc(OC)c2)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(c(O)c4)OC,0.0
31461,CO-ADD:0299921,5.95,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3sccn3)C2c4cccs4,0.0
31462,CO-ADD:0286962,5.95,c1([nH]c(c(c2ccccc2)n1)c3ccc(cc3)F)c4c[nH]c(ccc(Br)c5)c45,0.0
31463,CO-ADD:0286986,5.95,c(C(=O)N1CCCCC1)(c2C)sc(c2C#N)N,0.0
31464,CO-ADD:0286610,5.95,C1(C(=O)NNC(=O)c2ccc(cc2)OCCC)=Cc3c(OC1=O)ccc(Br)c3,0.0
31465,CO-ADD:0299258,5.95,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Cl,0.0
31466,CO-ADD:0287222,5.95,C(C#N)(C(c1ccccc1OC)C(C#N)C(N2)=O)=C2SC,0.0
31467,CO-ADD:0287238,5.95,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3OC(Cl)(F)F)\N2CCCO)N4CCCC4.Br,0.0
31468,CO-ADD:0287934,5.95,c1(N\N=C/c(cc2)ccc2SC)nncn1N.Cl.Cl,0.0
31469,CO-ADD:0288690,5.95,n(C1CC1)(c(cn2)C)c2CCNC(=O)OC(C)(C)C,0.0
31470,CO-ADD:0286485,5.95,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
31471,CO-ADD:0286128,5.95,c(cc(cc1C(O)=O)NC(COc2ccccc2C(C)CC)=O)(c1)C(O)=O,0.0
31472,CO-ADD:0291906,5.95,N1(CCc(cccc2)c12)C(=O)Cc(ccc(c3OC)OC)c3,0.0
31473,CO-ADD:0285413,5.95,C1(SCC(=O)N1c(cccc2C(F)(F)F)c2)(c3c(N4CN5CCCCC5)cccc3)C4=O,0.0
31474,CO-ADD:0285109,5.95,N1(C(c2ccc(cc2)Br)CC(c3cccs3)=N1)C(=N)SC(CC(N4c5cccc(Cl)c5)=O)C4=O,0.0
31475,CO-ADD:0291724,5.95,c1(c2ccccc2Cl)nc(NN)nc(ccc(Br)c3)c13,0.0
31476,CO-ADD:0285394,5.95,c1(c(nc(N)c(C#N)c1c2ccc(cc2)OCC)sc3C(OC)=O)c3N,0.0
31477,CO-ADD:0290468,5.95,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2C)C)n(c3c1S(CCC)(=O)=O)cccc3N,0.0
31478,CO-ADD:0292463,5.95,C1(C(c2ccccc2)N3)=C(CN(c4cccc(C)c4)C1=O)N(C3=O)C,0.0
31479,CO-ADD:0295447,5.95,C(C(OCCCc1ccccc1)=O)(C(c(ccs2)c2)N3)=C(C)N(C3=O)C,0.0
31480,CO-ADD:0294688,5.95,C1(C#N)(C#N)C2=C(CC(c3ccco3)CC2=O)OC(N)=C1C#N,0.0
31481,CO-ADD:0294744,5.95,C(C)(CN1CC2(CN3C1c4c(O)ccc(cccc5)c45)C)(C3)C2=O,0.0
31482,CO-ADD:0292711,5.95,C12(c(cccc3)c3C(c4ccc(cc4)CC)(c5ccc(cc5)CC)S1)N(c6ccc(cc6)Br)N=C(C(C)=O)S2,0.0
31483,CO-ADD:0292228,5.95,c1(c2c(cccc2)c(c34)cccc3)c4nc(cc(cccc5)c5c6)c6n1,0.0
31484,CO-ADD:0295149,5.95,C1(C#N)(CC(=O)C2CC(CC23)C=C3)C(N)=C(CC1(C#N)C#N)C=O,0.0
31485,CO-ADD:0292579,5.94,c1(CNC(CCl)=O)c(OC)c(OC)c(cc1C(O)=O)OC,0.0
31486,CO-ADD:0295628,5.94,c1(c2c3ccccc3)c([nH]n2)OC(=C(C#N)C14c5c(NC4=O)cccc5)N,0.0
31487,CO-ADD:0295939,5.94,c1(OC(N)=C(C2c3c4c([nH]c3)cccc4)C#N)c2c(n[nH]1)CCC,0.0
31488,CO-ADD:0292207,5.94,c1(NC(=O)Nc(cc2)ccc2Cl)nnc(Cc(cc3)ccc3OC)s1,0.0
31489,CO-ADD:0292482,5.94,S(=O)(=O)(c1ccccc1[N+](=O)[O-])n2cnc(cc(C)c(C)c3)c23,0.0
31490,CO-ADD:0291304,5.94,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cc3)ccc3NC(=O)C(O)=O,0.0
31491,CO-ADD:0299516,5.94,C1(OC(CO1)CCl)(c2c(N3CN4CCc(c5C4)cccc5)cccc2)C3=O,0.0
31492,CO-ADD:0291509,5.94,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(=O)NC4CCCC4)c1Cl,0.0
31493,CO-ADD:0287535,5.94,C(C#N)(C(c(cc1)ccc1[N+](=O)[O-])C2=C(N3c4ccc(cc4F)Br)CCCC2=O)=C3N,0.0
31494,CO-ADD:0287490,5.94,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCCCC2)C(=O)N4CCCCCC4,0.0
31495,CO-ADD:0286849,5.94,N1(\N=C(/C)\c2ccc(cc2)Cl)C(=O)CN(Cc3ccccc3)C1c4ccc(c(OC)c4)OC,0.0
31496,CO-ADD:0286140,5.94,c12c(ccc(c1)NC(=O)C(C)Oc3ccc(cc3Cl)Cl)c4c(cccc4)o2,0.0
31497,CO-ADD:0286476,5.94,c12c(c3c(cccc3)[nH]1)nnc(SCc4ccccc4C#N)n2,0.0
31498,CO-ADD:0286941,5.94,N1(\N=C(/C)\c2ccc(cc2)OC)C(c3cccc(Cl)c3)Nc(c4C1=O)cccc4,0.0
31499,CO-ADD:0286565,5.94,S(=O)(=O)(Nc(cc1)ccc1C)c2c(OC)ccc(C(=O)c(cc3)ccc3[N+](=O)[O-])c2,0.0
31500,CO-ADD:0286228,5.94,c12c(nnc(SCC(=O)Nc3nnc(C)s3)n1)c(c4n2C(C)C)cccc4,0.0
31501,CO-ADD:0286934,5.94,c1([N+](=O)[O-])cc(n(C\C(\C)=N\NC(=O)c2cc(n(C)n2)I)n1)C,0.0
31502,CO-ADD:0288016,5.94,c1(CC(OC)=O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])S(=O)Cc2ccccc2,0.0
31503,CO-ADD:0286974,5.94,c1(SCC(=O)N\N=C\c2ccccc2OCCCCCC)oc(c3n1)cccc3,0.0
31504,CO-ADD:0288969,5.94,N12C(=NC(C)C1)c3c(Oc(cc(C(OC)=O)cn4)c24)cccc3,0.0
31505,CO-ADD:0286945,5.94,c12c(ccc3c1OC(=O)C=C3C)O\C(=N/Nc(cccc4[N+](=O)[O-])c4)\C2=O,0.0
31506,CO-ADD:0293436,5.94,C(NC(CC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc2c(ccc(OCC)c2)n1,0.0
31507,CO-ADD:0293233,5.94,c12c(cc(cc1C(c3ccccc3)=O)Cl)C4C(C(C(O)=O)N2)CC=C4,0.0
31508,CO-ADD:0294774,5.94,C1(\C=C(\c(cccc2)c2N3C)/C3=O)=Nc(cccc4)c4C(=O)N1C,0.0
31509,CO-ADD:0295422,5.94,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccc(F)c1)Nc2sc(c3c2C(N)=O)CCC3,0.0
31510,CO-ADD:0292257,5.94,C1(O)(CC(=O)c2ccc(cc2)CC)c3c(N(C)C1=O)cccc3,0.0
31511,CO-ADD:0293365,5.94,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c(cccc5[N+](=O)[O-])c5)cccc4,0.0
31512,CO-ADD:0291883,5.94,S(=O)(=O)(NNC(=O)C(CC1)CCC1c2ccccc2)c3cccc(nsn4)c34,0.0
31513,CO-ADD:0292107,5.94,n1c2c(oc1c(ccc(c3NC(=O)c4c(Cl)ccc(c4)[N+](=O)[O-])C)c3)cccn2,0.0
31514,CO-ADD:0292163,5.94,c1(nnc(C)s1)NC(=O)c2ccc(cc2)C,0.0
31515,CO-ADD:0292168,5.94,n1nc(c2n1CNc3ccc(cc3[N+](=O)[O-])OC)cccc2,0.0
31516,CO-ADD:0292176,5.94,C(/c1c(N2CC(OCC)=O)cccc1)(\C2=O)=C(\SC(N3c4ccc(cc4)Br)=S)/C3=O,0.0
31517,CO-ADD:0291569,5.94,N1(C2c3ccc(c(OC)c3)OC(C)=O)C(S\C(=C\c(ccc4c5ccccc5[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
31518,CO-ADD:0287904,5.94,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)F)Nc2sc(c3c2C(N)=O)CCCC3,0.0
31519,CO-ADD:0290317,5.94,N(C(=O)CS1)(C2c3ccc(cc3)C)C1=NC(C)=C2C(OCC)=O,0.0
31520,CO-ADD:0287411,5.93,n1(c(C)cc(C)n1)C(c2ccc(cc2)Cl)Nc3cc(C)ccn3,0.0
31521,CO-ADD:0294093,5.93,C(C(c1ccccc1)=O)(C2c3ccc(c(OC)c3)O)=C(O)C(N2c4cccc(OC)c4)=O,0.0
31522,CO-ADD:0294083,5.93,c1(C(=O)NC2C(CC(CC23)CC4C3)C4)nn(cc1Cl)C,0.0
31523,CO-ADD:0294300,5.93,c1(c(N)c(c2s1)cc(c3n2)CCCC3)S(=O)(=O)Cc4ccccc4,0.0
31524,CO-ADD:0294276,5.93,n1(C2CCCCC2)nnnc1SCc3[nH]c(c(ccc4[N+](=O)[O-])n3)c4,0.0
31525,CO-ADD:0292770,5.93,c1(CN(c2ccccc2)C(=O)CN3CCCCC3)n(C)c4c(cccc4)c1C#N.Cl,0.0
31526,CO-ADD:0294358,5.93,N1(c2ccc(cc2)F)C(=O)\C(\C(C)=N1)=C/Nc(cccc3NC(C)=O)c3,0.0
31527,CO-ADD:0293068,5.93,c1(ccoc1C)C(=O)OCC(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
31528,CO-ADD:0294894,5.93,s1c(C)nnc1SCC(=O)Nc2ccc(c(OC)c2)OC,0.0
31530,CO-ADD:0295929,5.93,C12(c3c(NC1=O)ccc(Br)c3)C4=C(CC(c5ccccc5)CC4=O)OC(N)=C2C#N,0.0
31531,CO-ADD:0292484,5.93,N1(c2c(OC)ccc(C(C)=O)c2)C(=O)C(C3C1=O)C(c4ccccc4)(C(C35c6ccccc6)=O)C(=C5c7ccc(cc7)C)c8ccc(cc8)C,0.0
31532,CO-ADD:0293984,5.93,N1(CC(=O)Nc2cc(C)ccc2C)C(=O)c3c(C(C)=N1)cccc3,0.0
31533,CO-ADD:0291434,5.93,c1(C(OCC)=O)c(cc(OC)cc2)c2n(c3ccc(cc3)Br)c1C,0.0
31534,CO-ADD:0291827,5.93,c1(NC(COc2ccc(cc2Br)Br)=O)sc(c3c1C(OC)=O)CCCC3,0.0
31535,CO-ADD:0291869,5.93,C1([N+](=O)[O-])=C(Nc2cccc(O)c2)c3c(cccc3)OC1=O,0.0
31536,CO-ADD:0291893,5.93,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)Cl)=C(O)C(N2CCCCCC)=O,0.0
31537,CO-ADD:0299418,5.93,N1(c2ccc(cc2)Oc(ccc(c3C)C)c3)C(=O)c(c4C1=O)cccc4N,0.0
31538,CO-ADD:0286338,5.93,P(c1ccccc1)(c2ccccc2)(COCP(c3ccccc3)(c4ccccc4)=O)=O,0.0
31539,CO-ADD:0299477,5.93,n1(c2ccc(cc2)CC)c(c3ccc(cc3)Cl)cc(c4ccc(cc4)Cl)n1,0.0
31540,CO-ADD:0291277,5.93,C1(SCC(=O)N1c2ccc(c(Cl)c2)C)(c3c(N4CN(CC5)CCC5C(OCC)=O)cccc3)C4=O,0.0
31541,CO-ADD:0291301,5.93,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C\c(ccc(c5OC)O)c5)\C6=O)N36)N(C(=O)N1C)C,0.0
31542,CO-ADD:0294355,5.93,N1(c(c2C)c(C)[nH]n2)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
31543,CO-ADD:0294827,5.93,C(=O)(Nc1ccccc1C2(C)CC2)c3ccccc3Cl,0.0
31544,CO-ADD:0294760,5.93,c12c(c(n[nH]1)c3ccc(cc3)C)C(N(c4ccc(cc4)F)C2=O)c5ccccc5OC,0.0
31545,CO-ADD:0294739,5.93,C(C(c1ccccc1)=O)(C2c3ccc(c4c3)OCO4)=C(O)C(N2c5cccc(Cl)c5)=O,0.0
31546,CO-ADD:0294404,5.93,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)NCc(cc4)ccc4F)c1Cl,0.0
31547,CO-ADD:0292851,5.93,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3c(cccc3F)F)N4CCCCC4)[N+](=O)[O-],0.0
31548,CO-ADD:0230513,5.93,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3C,0.0
31549,CO-ADD:0228297,5.93,N1(c2ccccc2)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
31550,CO-ADD:0228043,5.93,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)Br)OC(=O)c4cccc(C)c4,0.0
31551,CO-ADD:0230577,5.93,C(=O)(N\N=C\c(cc1)ccc1OCCCCCCC)c2cccc(Br)c2,0.0
31552,CO-ADD:0223736,5.93,c1(csc(\C=N\NC(=O)C(C)Oc(cc2)ccc2c3ccccc3)c1)[N+](=O)[O-],0.0
31553,CO-ADD:0223710,5.93,c1(cc(Cl)cc(Cl)c1OCC(=O)Nc2cccc(C)c2C)[N+](=O)[O-],0.0
31554,CO-ADD:0230572,5.93,C(=O)(N\N=C\c1cccc(OC)c1OC)c2ccc(cc2)OCCCCCCCCCC,0.0
31555,CO-ADD:0228304,5.93,N1(CCc2ccccc2)C(=O)C3C(C(c4ccccc4)C=CC3c5ccccc5)C1=O,0.0
31556,CO-ADD:0228389,5.93,S(CCc(cc1)ccn1)(=O)(=O)c2ccc(cc2)C.Cl,0.0
31557,CO-ADD:0230136,5.93,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c2cc(Br)ccc2OC,0.0
31558,CO-ADD:0228197,5.93,N1(c(cc2)ccc2S(=O)(=O)Nc(cccc3[N+](=O)[O-])c3)C(=O)c4c(cccc4)C1=O,0.0
31559,CO-ADD:0229946,5.93,c1(c2ccc(cc2)C)ccc(\C=C(/C=CC3=O)\O3)o1,0.0
31560,CO-ADD:0235477,5.93,c1(NC(c2ccccc2)=O)c(C(OCC)=O)c(C)nc(c3ccccc3)n1,0.0
31561,CO-ADD:0235455,5.93,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc(cc4)ccc4Br)n2,0.0
31562,CO-ADD:0223431,5.93,C(=O)(Nc1ccccc1C)c(cc2OC)cc(c2OC)OC,0.0
31563,CO-ADD:0235377,5.93,C(=O)(Nc(ccc(c1C)C)c1)C(C(C)CC)NC(OCc2ccccc2)=O,0.0
31564,CO-ADD:0235734,5.93,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
31565,CO-ADD:0232392,5.93,N1C(=O)\C(\SC1=S)=C\c(cc2)ccc2O,0.0
31566,CO-ADD:0235820,5.93,c1(c(C)nn2c3ccccc3)c2CC(C)(C)C(=[N+]=[N-])C1=O,0.0
31567,CO-ADD:0235823,5.93,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c2ccco2,0.0
31568,CO-ADD:0230767,5.93,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1Br)C)=O)N2CCCC2,0.0
31569,CO-ADD:0230769,5.93,C(=O)(NC1CCCCC1)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O,0.0
31570,CO-ADD:0232539,5.93,C(=O)(N\N=C\c(cccn1)c1)c(cccn2)c2,0.0
31571,CO-ADD:0223559,5.93,c1(c(O)ccc(c2ccccc2)c1)CN(CC3)CCO3,0.0
31572,CO-ADD:0223647,5.93,c1(c(O)c(\C=N\NC(COc(cc2)ccc2F)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
31573,CO-ADD:0235872,5.93,N1(c(cc2)ccc2C(OCCCCCCCC)=O)C(=O)c3c(cccc3)C1=O,0.0
31574,CO-ADD:0230554,5.93,c1(C(=O)c2ccc(cc2)F)oc(c3c1NC(CCl)=O)cccc3,0.0
31575,CO-ADD:0230301,5.92,n1c2c(cccc2)ccc1c3cccc(C)c3,0.0
31576,CO-ADD:0223596,5.92,[nH](c(cccc1)c1c2CCC(c3ccccc3)=O)c2,0.0
31577,CO-ADD:0228341,5.92,c1(N[N+](=O)[O-])nn(c(Cc(n(CO)nc2N[N+](=O)[O-])n2)n1)CO,0.0
31578,CO-ADD:0223182,5.92,c1(OCC(=O)N\N=C\c2cc(Br)ccc2OC(=O)c3ccco3)c(Br)cc(cc1Br)Br,0.0
31579,CO-ADD:0223701,5.92,C(=O)(N\N=C\c1cccc(OC)c1OC)C(C)Oc(cc2)ccc2Br,0.0
31580,CO-ADD:0223550,5.92,N1(CCc2ccccc2)c3c(C(=O)C1=O)cc(Br)cc3,0.0
31581,CO-ADD:0223654,5.92,c1(\C=N\NC(COc(cc2)ccc2I)=O)cc(Br)ccc1OCC,0.0
31582,CO-ADD:0228136,5.92,C(CNc1cccc(Br)c1)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
31583,CO-ADD:0232385,5.92,N1(CN2CCCCC2)c(cccc3)c3C(=O)C1=O,0.0
31584,CO-ADD:0235006,5.92,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
31585,CO-ADD:0223256,5.92,C(=C/c(cc1)ccc1Cl)(/C(C)=NN2c3ccccc3)\C2=O,0.0
31586,CO-ADD:0235546,5.92,C(c1ccccc1)(=O)SCC(=O)Nc2ccc(cn2)Cl,0.0
31587,CO-ADD:0235281,5.92,c1(nonc1N)N(CC(=O)Nc(cccc2[N+](=O)[O-])c2)N=Nc3nonc3N,0.0
31588,CO-ADD:0232747,5.92,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cc(Br)cc(Br)c3O,0.0
31589,CO-ADD:0235532,5.92,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5)OCc6ccccc6,0.0
31590,CO-ADD:0223037,5.92,c1(ccccc1NC(=O)c2ccco2)C(=O)N\N=C\c3ccccc3O,0.0
31591,CO-ADD:0223027,5.92,C12(\C=N\c3cccc(O)c3)c4c(cccc4)C(C(C1C5=O)C(N5c6ccccc6)=O)c(cccc7)c27,0.0
31592,CO-ADD:0222887,5.92,[N+](=O)([O-])c1ccc(cc1)\C=N\c2cccc(cccc3)c23,0.0
31593,CO-ADD:0235308,5.92,c1(scc(c2ccc(cc2)C)n1)NC(=O)c3ccco3,0.0
31594,CO-ADD:0228602,5.92,C(=N/NC(=O)C1C(C12)CCCC2)(/C3=O)\c4c(N3)ccc(c4)[N+](=O)[O-],0.0
31595,CO-ADD:0228774,5.92,[N+](=O)([O-])c1c(C)ccc(c1)C(N)=O,0.0
31596,CO-ADD:0228346,5.92,C(N(CC)CC)(=S)SC(C)C(=O)c1cc(Br)ccc1O,0.0
31597,CO-ADD:0228422,5.92,C1(NC(CSc2sc(c(ccc3[N+](=O)[O-])n2)c3)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
31598,CO-ADD:0230348,5.92,n1(c2ccccc2)c(S)nnc1c3cccc(F)c3,0.0
31599,CO-ADD:0232209,5.92,c1(\C=N\c(cc2)ccc2I)c(O)c(OC)cc(Br)c1Br,0.0
31600,CO-ADD:0230643,5.92,c(cc(cccc1)c1n2)(c23)\C(=N/C4CCCCC4)\c5c3cccc5,0.0
31601,CO-ADD:0228183,5.92,S1(=O)(=O)c(cccc2)c2C(Nc3cccc(OC)c3)=N1,0.0
31602,CO-ADD:0223477,5.92,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc3cccc(C)c3,0.0
31603,CO-ADD:0228147,5.92,C(CNc1cccc(Br)c1)(=O)N\N=C/c2ccco2,0.0
31604,CO-ADD:0230807,5.92,c1(ccccc1Cl)C(NCCOc2cc(C)ccc2C(C)C)=O,0.0
31605,CO-ADD:0230467,5.92,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c(cc(OCO5)c5c6)c6Br,0.0
31606,CO-ADD:0232057,5.92,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)c4ccccc4I,0.0
31607,CO-ADD:0232017,5.92,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cc(OCO4)c4c5)c5Br,0.0
31608,CO-ADD:0231889,5.92,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2ccccc2Cl,0.0
31609,CO-ADD:0232730,5.92,c([N+](=O)[O-])(c(N(CC1)CCO1)c2F)c(N(CC3)CCO3)c(c2c(c(F)c4N(CC5)CCO5)c(F)c(c4[N+](=O)[O-])N(CC6)CCO6)F,0.0
31610,CO-ADD:0232810,5.92,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2Cl)N(CC3)CCO3,0.0
31611,CO-ADD:0235066,5.92,C(=O)(Oc(cc1)ccc1\C=N\c(cccc2C(=O)c3ccc(cc3)F)c2)c4cccc(cccc5)c45,0.0
31612,CO-ADD:0228607,5.92,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
31613,CO-ADD:0228229,5.92,C1(\N=C\c2cccc(CC=C)c2OC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
31614,CO-ADD:0230131,5.92,C(=O)(N\N=C\c1ccccc1Cl)C(Oc2ccccc2)Oc3ccccc3,0.0
31615,CO-ADD:0230269,5.92,S(c1ccccc1)(=O)(=O)N\N=C\c2cc(Br)ccc2OC,0.0
31616,CO-ADD:0223666,5.92,c1(ccc(\C=N\NC(COc2cc(C)ccc2C(C)C)=O)s1)[N+](=O)[O-],0.0
31617,CO-ADD:0228835,5.92,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\NN(C)c3ccccc3,0.0
31618,CO-ADD:0228622,5.92,N1(c2ccc(cc2)Oc(cc3)ccc3C#N)C(=O)c(c4C1=O)ccc(C(O)=O)c4,0.0
31619,CO-ADD:0235433,5.92,n1(\N=C\c(cc2)ccc2\C=N\n3c4c(c(cccc5)c35)cccc4)c6c(c(cccc7)c17)cccc6,0.0
31620,CO-ADD:0229961,5.91,c12n(c(nn1)SCCCC)ncn2\N=C\c(ccc(c3OC)O)c3,0.0
31621,CO-ADD:0228376,5.91,c1(sc(c(c(cc2)ccc2c3ccccc3)n1)C)NC(=O)c4ccccc4Br,0.0
31622,CO-ADD:0228324,5.91,c1(cnc(C)n1\C(\C(OC)=O)=C\C(OC)=O)[N+](=O)[O-],0.0
31623,CO-ADD:0228187,5.91,c1(c2ccc(cc2)NC(=O)c3cc(Cl)ccc3Cl)sc(c4n1)cccc4,0.0
31624,CO-ADD:0235549,5.91,n1c(SCC(=O)Nc2ccccn2)[nH]nc1c3ccccc3,0.0
31625,CO-ADD:0223025,5.91,C(=O)(N\N=C\c(cc1)ccc1C(C)C)C(=O)Nc2ccccc2F,0.0
31626,CO-ADD:0235499,5.91,N1C(=O)\C(\SC1=S)=C\c(cc2)cc(c2N(C)C)Br,0.0
31627,CO-ADD:0235873,5.91,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c(ccc(c2c3ccccc3)OC(C)=O)c2,0.0
31628,CO-ADD:0235663,5.91,N1(c2ccc(cc2)C)C(=O)c(c3C1=O)ccc(C(OCC=C)=O)c3,0.0
31629,CO-ADD:0228833,5.91,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/NNC(c3ccccc3)=O,0.0
31630,CO-ADD:0232452,5.91,c1(c(O)c(\C=N\c(ccc(c2c3oc4c(ccc(C)c4)n3)O)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
31631,CO-ADD:0230619,5.91,C(=C/c(ccc(c1OC)OC)c1)(/c2c3cccc2)\c4c3ccc(C(CCCCN5CCCCC5)=O)c4,0.0
31632,CO-ADD:0232181,5.91,c1(oc(c2n1)ccc(c2)\N=C\c3c(O)c(OC)cc(Br)c3Br)c4ccc(cc4Cl)Cl,0.0
31633,CO-ADD:0231974,5.91,c1(oc(c2n1)ccc(c2)\N=C\c3cc(C)ccc3O)c4cc(Cl)ccc4Cl,0.0
31634,CO-ADD:0223391,5.91,C(=O)(N\N=C\c(ccc(c1Cl)Cl)c1)C(=O)Nc2ccccc2CC,0.0
31635,CO-ADD:0230867,5.91,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])\C(\c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c23)=C(/CC)\OCC,0.0
31636,CO-ADD:0228124,5.91,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)c(cc4OC)cc(c4OC)OC,0.0
31637,CO-ADD:0228477,5.91,N1(\N=C\c2ccccc2)C(=S)SC(C)(C)C1N(O)C(=O)NC3CCCCC3,0.0
31638,CO-ADD:0228052,5.91,n1c2c(oc1c3cccc(c3)\N=C\c(cc(C)c(c4Br)C)c4O)ccc(Cl)c2,0.0
31639,CO-ADD:0228164,5.91,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3cccc(Br)c3,0.0
31640,CO-ADD:0230080,5.91,C(=O)(OCC(c1ccccc1)c2ccccc2)c(cccn3)c3,0.0
31641,CO-ADD:0222914,5.91,N(C(CCCCCCCCCCC)=O)c1ccc(cn1)Br,0.0
31642,CO-ADD:0235484,5.91,N1(c2cccc(c2)c(csc3N4C(CC(c(ccc(c5F)OC)c5)=N4)c6ccc(cc6Cl)Cl)n3)C(=O)c7c(cccc7)C1=O.Br,0.0
31643,CO-ADD:0235329,5.91,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4O,0.0
31644,CO-ADD:0232229,5.91,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(cc(Br)c(c4Br)O)c4O,0.0
31645,CO-ADD:0235328,5.91,N1\C(\SCC1=O)=N\N=C(/C2)\CCCC2,0.0
31646,CO-ADD:0235932,5.91,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CCCC4=O)=C14)c5ccc(cc5)Cl,0.0
31647,CO-ADD:0229938,5.91,c12c(c(nn1c3ccccc3)C)cc(C(=O)N\N=C\c4ccccc4Cl)s2,0.0
31648,CO-ADD:0232199,5.91,c1(\C=N\c(cccc2c3oc(c4n3)cc(c(C)c4)C)c2)c(O)c(OC)cc(Br)c1Br,0.0
31649,CO-ADD:0230878,5.91,N(=C\c(cc1)cc(c12)ccc(OC)c2)/NC(Cc3ccccc3)=O,0.0
31650,CO-ADD:0223060,5.91,C(=O)(N\N=C\c(cc1)ccc1C(C)C)C(=O)Nc(cc2)ccc2CC,0.0
31651,CO-ADD:0232250,5.91,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(cc2)ccc2Oc(cc3)ccc3\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
31652,CO-ADD:0228832,5.91,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc3ccc(cc3[N+](=O)[O-])C,0.0
31653,CO-ADD:0230868,5.91,C(F)(F)(C(=O)N\N=C\c(cc1)ccc1C#N)C(F)(F)C(F)(F)F,0.0
31654,CO-ADD:0223080,5.91,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2c(C)ccc(Cl)c2,0.0
31655,CO-ADD:0232273,5.91,c1(c(O)cc(c(Cl)c1C)C)\C=N\c2ccc(cc2C)C,0.0
31656,CO-ADD:0230596,5.91,C(=O)(N\N=C\c1ccccc1OCCCCCCC)c2cccc(Br)c2,0.0
31657,CO-ADD:0230744,5.91,N(=C(/C)\c1ccc(cc1)C)/NC(COc2ccc(cc2Br)Cl)=O,0.0
31658,CO-ADD:0319748,5.91,C(CC)(O)(c1ccccc1)CCN2CCCCC2,0.0
31659,CO-ADD:0235841,5.91,C(c1ccccc1)(=O)Nc(cccc2C(OCCCC)=O)c2,0.0
31660,CO-ADD:0235821,5.91,N1=C(c2ccccc2)C=C(CC(c3ccccc3)=N1)c4ccc(cc4)Br,0.0
31661,CO-ADD:0235778,5.91,C(=C/c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3F,0.0
31662,CO-ADD:0230627,5.9,c1(NC(CCC(O)=O)=O)sc2c(CCCC2=O)c1C(OCC)=O,0.0
31663,CO-ADD:0232459,5.9,c1(c(O)c(\C=N\c(ccc(c2c3oc(c4n3)ccc(C)c4)O)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
31664,CO-ADD:0230542,5.9,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c1Cl)C)c1)C(=O)Nc(cc2)ccc2CC,0.0
31665,CO-ADD:0235164,5.9,n1c2c(oc1c3ccc(cc3)C)ccc(c2)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
31666,CO-ADD:0223447,5.9,S(=O)(=O)(c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)C)Nc3sccn3,0.0
31667,CO-ADD:0223134,5.9,C(COc(cc1)ccc1Cl)(=O)N\N=C\c(ccc(c2Br)OC)c2,0.0
31668,CO-ADD:0230853,5.9,C(=C\c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C(\C)/c3ccc(cc3)O,0.0
31669,CO-ADD:0223056,5.9,C(=O)(Nc(cc1)ccc1C)C(NCCc(cc2)ccc2Cl)=O,0.0
31670,CO-ADD:0230115,5.9,N(=C\c(cc1)ccc1Br)/c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c(cc4)ccc4Br,0.0
31671,CO-ADD:0228172,5.9,S1(=O)(=O)c2c(C(Nc3ccccc3OC)=N1)ccc(c2)[N+](=O)[O-],0.0
31672,CO-ADD:0229972,5.9,n1(c2c(n3)cccc2)c3S\C(=C/c4ccc(cc4OC)OC)\C1=O,0.0
31673,CO-ADD:0235566,5.9,c12c(nnc(SCC(c3ccccc3)=O)n1)c4c(cccc4)n2C,0.0
31674,CO-ADD:0319764,5.9,C(Nc(cc1)ccc1OC(F)(F)Cl)(C(OCC)=O)(C(F)(F)F)NC(c2ccccc2)=O,0.0
31675,CO-ADD:0319684,5.9,N(c1c(cccc1)NC(CC(c(cc2)ccc2C(C)(C)C)CC3=O)=C34)(C4c(cc5)ccc5C(OC)=O)C(=O)c6ccccc6Cl,0.0
31676,CO-ADD:0320036,5.9,n1(nnc(C(O)=O)c1CSc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)c3nonc3N,0.0
31677,CO-ADD:0235319,5.9,C1(=C(CCC1)NNC(=O)c2ccccn2)C(=O)C(F)(F)F,0.0
31678,CO-ADD:0235635,5.9,N1(c2ccc(cc2)OC(=O)c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3)C(=O)C=CC1=O,0.0
31679,CO-ADD:0320060,5.9,C(F)(F)(F)c(cc1)ccc1C(=O)Nc2ccccc2N,0.0
31680,CO-ADD:0319717,5.9,c1(c2ccccc2Cl)noc(C)c1C(NCCc(ccc(c3OCC)OCC)c3)=O,0.0
31681,CO-ADD:0223458,5.9,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C\c2cccc(OC)c2,0.0
31682,CO-ADD:0228361,5.9,N1=C(c(cc2)ccc2c3ccccc3)CC(c4ccc(cc4)F)N1c5ccccc5,0.0
31683,CO-ADD:0230804,5.9,C1(NC(CCCCCCCCCCC(=O)NC2=C(C)N(N(c3ccccc3)C2=O)C)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
31684,CO-ADD:0223539,5.9,C(=O)(Nc(cc1)ccc1C)C(NCCc2ccccc2F)=O,0.0
31685,CO-ADD:0228776,5.9,S(c1ccccc1)(=O)(=O)Oc2ccc(cc2C3CCCCC3)OS(c4ccccc4)(=O)=O,0.0
31686,CO-ADD:0228322,5.9,n1(c2cccc(cccc3)c23)nnnc1SCc(ccc(c4[N+](=O)[O-])OC)c4,0.0
31687,CO-ADD:0232223,5.9,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(=O)c(ccc(c34)OCCO3)c4,0.0
31688,CO-ADD:0235619,5.9,N1(C(CC(c(ccc(c2F)OC)c2)=N1)c3ccc(cc3Cl)Cl)c4scc(c5ccccc5)n4.Br,0.0
31689,CO-ADD:0223406,5.9,c1(cc(ccc1Cl)SC)C(=O)Nc2ccc(cn2)Br,0.0
31690,CO-ADD:0232470,5.9,n1c2c(oc1c3cccc(c3)\N=C\c4ccccc4O)cccc2C,0.0
31691,CO-ADD:0232503,5.9,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(cc3)ccn3,0.0
31692,CO-ADD:0235769,5.9,C(/CCC1)(=N/c2ccccc2C#N)\N1c3cccc(C)c3.Cl,0.0
31693,CO-ADD:0324380,5.9,c12c(CCNC1c(cc3)ccc3N(CC)CC)cc(c(OCC)c2)OCC,0.0
31694,CO-ADD:0230814,5.9,C(=O)(N\N=C\c1ccc(C)o1)C(=O)Nc2cccc(F)c2,0.0
31695,CO-ADD:0230208,5.9,C(=O)(N\N=C\c(cccn1)c1)c2ccc(cc2)OCCCCCCCCCC,0.0
31696,CO-ADD:0232463,5.89,c1(c(O)c(\C=N\c(cccc2c3oc(c4n3)cccc4C)c2O)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
31697,CO-ADD:0235441,5.89,C1(OCCO1)(c2c(N3CCC(=O)C(C)(C)C)cccc2)C3=O,0.0
31698,CO-ADD:0223405,5.89,c1(c2ccccc2)cc(c(cc3)ccc3NC(=O)c4cccc(Br)c4)nc(ccc(cccc5)c56)c16,0.0
31699,CO-ADD:0232494,5.89,c1(c(Br)cc(cc1\C=N\NC(=O)c(c2)cc(cn2)Br)Br)OC(=O)c3cccc(Br)c3,0.0
31700,CO-ADD:0235380,5.89,N1(C(=O)CCC1C(=O)Nc2cccc(C)c2)C(=O)OCc3ccccc3,0.0
31701,CO-ADD:0235434,5.89,n1(\N=C\c(cc2)ccc2N(C)C)c3c(c(cccc4)c14)cccc3,0.0
31702,CO-ADD:0235114,5.89,C(=O)(c(cc1)ccc1C(=O)Nc2ccccc2C)Nc3ccccc3C,0.0
31703,CO-ADD:0228214,5.89,N1(OC(N(c2ccccc2)C1=O)=O)C3C(C)(C)N(C(=O)N3c4ccccc4)CC(C)C,0.0
31704,CO-ADD:0223438,5.89,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
31705,CO-ADD:0230559,5.89,C(=O)(N\N=C\c1c(ccc(cccc2)c12)OCc3ccccc3)C(=O)Nc4cccc(C)c4,0.0
31706,CO-ADD:0228319,5.89,c1(SCc2[nH]c(c3n2)cccc3)sc4c(ccc(OCC)c4)n1,0.0
31707,CO-ADD:0223811,5.89,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C(/C)\c2ccccc2,0.0
31708,CO-ADD:0230292,5.89,S(NCCCC(OC)=O)(=O)(=O)c(cc1)ccc1[N+](=O)[O-],0.0
31709,CO-ADD:0230142,5.89,C(COc(cc1)ccc1CCCCC)(=O)N\N=C\c(cc2)ccc2OCCCCC,0.0
31710,CO-ADD:0223594,5.89,C(F)(F)(C(=O)N\N=C(\c1ccccc1)/C(C2)(C3)CN(CN3CN24)C4)C(F)(F)C(F)(F)F,0.0
31711,CO-ADD:0228741,5.89,C(=C/c(ccc(c12)OCO1)c2)(/c(cccn3)c34)\c(cc(C)cc5)c45,0.0
31712,CO-ADD:0228299,5.89,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3c4ccc(cc4)F)C1=O,0.0
31713,CO-ADD:0230450,5.89,c1(O)c(cc(cc1C(C)(C)C)CCC(OCCOC(CCc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)=O)=O)C(C)(C)C,0.0
31714,CO-ADD:0222937,5.89,C(C)(=O)Oc(cc1)ccc1OCc2ccccc2,0.0
31715,CO-ADD:0235717,5.89,[N+](=O)([O-])c1ccccc1C(=O)N\N=C(/CCCC)\c2ccccc2,0.0
31716,CO-ADD:0235706,5.89,c1(C(OCC)=O)c(NC(C)=O)sc(NC(C)=O)c1C(OCC)=O,0.0
31717,CO-ADD:0232064,5.89,c(\C=N\NC(=O)C(O)c1ccccc1)(cc(I)cc2I)c2O,0.0
31718,CO-ADD:0235063,5.89,N(C(CCl)=O)c1ccc(cc1OC)Cc(cc2)cc(c2NC(CCl)=O)OC,0.0
31719,CO-ADD:0223806,5.89,N(=C\c(cc1)ccc1Br)/NC(CCCCCCC)=O,0.0
31720,CO-ADD:0232258,5.89,c1(oc(c2n1)ccc(Cl)c2)c3cc(ccc3Cl)\N=C\c(cc(C)c(c4C)Cl)c4O,0.0
31721,CO-ADD:0235492,5.89,N1(\N=C\c(ccc2c3c(cccc4)c4n2CC)c3)C(=O)c(c5C1=O)cccc5,0.0
31722,CO-ADD:0228416,5.89,C(=O)(C1CC=CCC1C(O)=O)Nc2cc(C)ccc2C,0.0
31723,CO-ADD:0228454,5.89,C(/C(O)=O)(=C/c1ccco1)\C(\C)=C\C(O)=O,0.0
31724,CO-ADD:0223181,5.89,c1(c(Br)cc(cc1\C=N\NC(COc2ccccc2C#N)=O)Br)OC(=O)c3ccco3,0.0
31725,CO-ADD:0228279,5.89,N(/c(ccc(c1Cl)Cl)c1)=C\c2ccccc2O,0.0
31726,CO-ADD:0228927,5.88,C(F)(F)(Oc1ccccc1NC(=O)\C=C\C(O)=O)C([H])(F)C(F)(F)F,0.0
31727,CO-ADD:0229978,5.88,c1(N2CCCCC2)nc(N\N=C/c(ccc(c34)OCO3)c4)nc(Nc(cc5)ccc5[N+](=O)[O-])n1,0.0
31728,CO-ADD:0228326,5.88,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(cc3)ccc3Br)n1,0.0
31729,CO-ADD:0230496,5.88,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(CCCc(ccc(c2C)OC)c2)=O,0.0
31730,CO-ADD:0228751,5.88,S(=O)(=O)(c1ccc(c(c1)\N=C\c2ccc(C)o2)O)c3ccc(c(c3)\N=C\c4ccc(C)o4)O,0.0
31731,CO-ADD:0232143,5.88,C(=O)(NCC(=O)N\N=C(/C)\c1ccc(cc1)C)c2ccco2,0.0
31732,CO-ADD:0232291,5.88,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3OC,0.0
31733,CO-ADD:0235931,5.88,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
31734,CO-ADD:0232108,5.88,c1(c(Br)cc(cc1\C=N\NC(COc2ccccc2C)=O)Br)OC(=O)c3cccc(C)c3,0.0
31735,CO-ADD:0232125,5.88,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(cc2)ccc2N(CCC)CCC,0.0
31736,CO-ADD:0232777,5.88,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3CCO)C1=O,0.0
31737,CO-ADD:0228446,5.88,C(=O)(Nc(ccc(c12)cccc1)c2)C3CC=CCC3C(O)=O,0.0
31738,CO-ADD:0230357,5.88,C(CSCC(=O)Nc(cc1)ccc1OCCCCC)(=O)Nc(ccc(c23)cccc2)c3,0.0
31739,CO-ADD:0228613,5.88,N1(C)C(=O)CC(N(CC2)CCN2c3ccccc3)C1=O,0.0
31740,CO-ADD:0228218,5.88,c(C#N)(c1c2ccccc2)c(\N=C\c(ccc(c3[N+](=O)[O-])OC)c3)oc1c4ccccc4,0.0
31741,CO-ADD:0230583,5.88,C(CCCCCCCCCCC(=O)Nc(ccc(c1C)C)c1)(=O)Nc(ccc(c2C)C)c2,0.0
31742,CO-ADD:0228628,5.88,C1(NC(Cc2ccccc2)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
31743,CO-ADD:0228327,5.88,n(Cc1ccccc1)(c2c(c3\C=N\NC(COc4c(C)ccc(C)c4C)=O)cccc2)c3,0.0
31744,CO-ADD:0223437,5.88,[N+](=O)([O-])c1cccc(c1)NC(COc(cc2)ccc2OC)=O,0.0
31745,CO-ADD:0223122,5.88,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O,0.0
31746,CO-ADD:0230510,5.88,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3C)c4ccc(cc4C)C,0.0
31747,CO-ADD:0228699,5.88,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3c(cccc4C(F)(F)F)c4)C1=O,0.0
31748,CO-ADD:0230460,5.88,C(=O)(Nc(cc1)ccc1OC)C(NCCCN(CCC)CCC)=O,0.0
31749,CO-ADD:0235563,5.88,c1(cc(ccc1N(CC2)CCC2C(=O)N\N=C\c(cc3)ccc3N(C)C)[N+](=O)[O-])[N+](=O)[O-],0.0
31750,CO-ADD:0231938,5.88,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C(/C)\c(cc2)ccc2C(C)(C)C,0.0
31751,CO-ADD:0231922,5.88,N(=C(/CC)\c1ccccc1)/NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
31752,CO-ADD:0232595,5.88,C(/C#N)(\C(OCC)=O)=C/c1cc(OCO2)c2cc1[N+](=O)[O-],0.0
31753,CO-ADD:0232664,5.88,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c(ccc(c34)OCO3)c4)=O,0.0
31754,CO-ADD:0235300,5.88,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c4ccco4)\C1=O,0.0
31755,CO-ADD:0232069,5.88,N(=C(/C)\c(cc1)ccc1C(C)(C)C)/NC(CNc(ccc(c23)cccc2)c3)=O,0.0
31756,CO-ADD:0235177,5.88,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(COc3ccc(cc3Br)OC)=O,0.0
31757,CO-ADD:0235226,5.88,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
31758,CO-ADD:0235715,5.88,C(=O)(c(cc1)ccc1c2ccccc2)NNC(COc3ccccc3)=O,0.0
31759,CO-ADD:0235696,5.88,c(nc(Nc1ccccc1)nc2n3c(C)cc(C)n3)(n4c(C)cc(C)n4)n2,0.0
31760,CO-ADD:0232355,5.88,c1(NC(c2ccccc2)=O)sc(c(C)c1C#N)C,0.0
31761,CO-ADD:0228219,5.88,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C)c1CN3CCCCC3,0.0
31762,CO-ADD:0223172,5.88,C1(C(N)=O)=C(C)C=C(NC1=S)C,0.0
31763,CO-ADD:0230527,5.88,C(=O)(c1ccc(cc1)COc(cc2)ccc2C)Nc3cccc(Br)c3,0.0
31764,CO-ADD:0228810,5.88,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3C,0.0
31765,CO-ADD:0228407,5.88,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc(cc3)ccc3C(OCC)=O,0.0
31766,CO-ADD:0223163,5.88,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
31767,CO-ADD:0228266,5.88,c1(NC(C)=O)coc(cccc2)c12,0.0
31768,CO-ADD:0230416,5.87,c1(c(ccc(c1)[N+](=O)[O-])Nc2sccn2)[N+](=O)[O-],0.0
31769,CO-ADD:0228140,5.87,c1(NCC(=O)N\N=C\c2ccccc2O)c(Br)cc(cc1Br)Cl,0.0
31770,CO-ADD:0228464,5.87,S(=O)(=O)(NC(CC(C)C)C(O)=O)c1cccc(nsn2)c12,0.0
31771,CO-ADD:0228105,5.87,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2cccc(cccc3)c23)=O)OC)c1,0.0
31772,CO-ADD:0230047,5.87,c1(cc(C)ccc1NC(c2ccccc2)=O)C(CCCCC(O)=O)=O,0.0
31773,CO-ADD:0230731,5.87,c1(ccc(\C=N\NC(COc2ccc(cc2Br)Cl)=O)o1)[N+](=O)[O-],0.0
31774,CO-ADD:0235817,5.87,c1(c(C)nn2c3ccccc3)c2C(C(C)(C)C(Br)C1=O)Br,0.0
31775,CO-ADD:0230776,5.87,c1(ccc(cc1OCC=C)OCC=C)\C=N\c(ccc(c2Cl)Cl)c2,0.0
31776,CO-ADD:0231902,5.87,c1(c(O)c(\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
31777,CO-ADD:0223282,5.87,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])C(C)(C)CC(C)=O,0.0
31778,CO-ADD:0223271,5.87,N1(c(cc2)c(Cl)cc2N3C(=O)c4c(cc(cc4)Br)C3=O)C(=O)c5c(cc(cc5)Br)C1=O,0.0
31779,CO-ADD:0320083,5.87,c12c(ccc(C(NC)=O)c1O)C(=O)c(c3C2=O)cccc3,0.0
31780,CO-ADD:0222920,5.87,C(=O)(c1ccc(cc1)F)Oc(cc2)ccc2C(C)=O,0.0
31781,CO-ADD:0232411,5.87,C1(C2c3ccc(cc3)OC)=C(CCCC1=O)NC(CCCC4=O)=C24,0.0
31782,CO-ADD:0232690,5.87,N1(c2cccc(cccc3)c23)C(=O)C(CC1=O)S\C(\N)=N\c4ccccc4,0.0
31783,CO-ADD:0232436,5.87,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(COc3cc(C)ccc3C(C)C)=O,0.0
31784,CO-ADD:0235376,5.87,c1(nc(c2n1CC(=O)N\N=C\c(ccc3c4cccc(Cl)c4)o3)cccc2)c5nonc5N,0.0
31785,CO-ADD:0320678,5.87,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(COc3ccc(cc3F)F)=O)c2C,0.0
31786,CO-ADD:0230372,5.87,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)OCc(cc4)ccc4Cl,0.0
31787,CO-ADD:0228639,5.87,n1(nnc(C)c1C(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])c3nonc3N,0.0
31788,CO-ADD:0231956,5.87,c1(oc(c2n1)ccc(c2)\N=C\c3c(O)ccc(cccc4)c34)c5cc(Cl)ccc5Cl,0.0
31789,CO-ADD:0230617,5.87,c(cc(ccc(c1)C)c1n2)(c23)\C(=N/c4ccccc4)\c5c3cccc5,0.0
31790,CO-ADD:0228367,5.87,N1(C)C(=O)\C(\SC1=S)=C/c(cc2)ccc2C#N,0.0
31791,CO-ADD:0230057,5.87,[N+](=O)([O-])c1ccc(cc1)COC(=O)c2ccccc2C(c3ccccc3)=O,0.0
31792,CO-ADD:0230189,5.87,[N+](=O)([O-])c1cccc(c1)NC(=O)CN(CC2)CCO2,0.0
31793,CO-ADD:0230110,5.87,C(COc1c(C)ccc(C(C)C)c1)(=O)N\N=C\c2ccccc2Br,0.0
31794,CO-ADD:0230156,5.87,C(=O)(c1ccccn1)N\N=C(/C)\c2ccc(cc2)CC,0.0
31795,CO-ADD:0230895,5.87,C1(C#N)=C(N)OC(=C(C(C)=O)C1c(cc2OC)cc(c2OC)OC)C,0.0
31796,CO-ADD:0230192,5.87,N(C)(C1C2)C(CC1)CC2OC(=O)c3cc(Cl)cc(Cl)c3.Cl,0.0
31797,CO-ADD:0230699,5.87,C(=O)(Nc1c(C)ccc(Cl)c1)c2ccccc2Cl,0.0
31798,CO-ADD:0222896,5.87,c1(c(Br)cc(cc1Br)OC)\N=C\c2cc(Br)ccc2OC,0.0
31799,CO-ADD:0232607,5.87,n1c(N)[nH]nc1c(c2)cc(cc2[N+](=O)[O-])[N+](=O)[O-],0.0
31800,CO-ADD:0232171,5.87,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2cccc(C)c2)=O)c3ccccc3Cl,0.0
31801,CO-ADD:0232560,5.87,C12=C(CC(C)(C)CC1=O)Oc(c3C2C4=C(O)CC(C)(C)CC4=O)ccc(cccc5)c35,0.0
31802,CO-ADD:0230712,5.87,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccc2C(O)=O,0.0
31803,CO-ADD:0235341,5.87,C1(=C(C#N)C2c3ccc(cc3)Cl)N(c4c(cccc4)S1)C(=C2c5sc(c6n5)cccc6)N,0.0
31804,CO-ADD:0232408,5.87,C1(C(OCC)=O)=C(C)NC(=O)NC1c(cc2)ccc2N(C)C,0.0
31805,CO-ADD:0232760,5.87,N(C(=S)NN=C1Cc2ccccc2)C1=O,0.0
31806,CO-ADD:0232115,5.87,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
31807,CO-ADD:0232749,5.87,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)S\C(\N)=N\c(cc3)ccc3Br,0.0
31808,CO-ADD:0235495,5.87,n1(CC)c2c(c(cc(cc3)\C=N\c(ccc(c4I)C)c4)c13)cccc2,0.0
31809,CO-ADD:0228498,5.87,C12(c3c(NC1=O)ccc(Br)c3)C(C#N)=C(N)OC(C)=C2C(=O)OC(C)(C)C,0.0
31810,CO-ADD:0223099,5.87,c1(c(O)c(\C=N\NC(COc2ccccc2[N+](=O)[O-])=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
31811,CO-ADD:0228335,5.87,N1(C(c2ccccc2)CC(c3ccccc3)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N6CCCCC6)n4.Br,0.0
31812,CO-ADD:0235711,5.87,N(\C(=C/c(ccc(c12)OCO1)c2)\C(O3)=O)=C3c(ccc(c45)OCO4)c5,0.0
31813,CO-ADD:0232246,5.87,c1(oc(c2n1)ccc(c2)\N=C\c3c(O)cc(c(Cl)c3C)C)c4cccc(Cl)c4Cl,0.0
31814,CO-ADD:0228574,5.87,C(=O)(N\N=C\c1cccs1)C(NCCOC)=O,0.0
31815,CO-ADD:0228185,5.87,c1(SCC(=O)NCC2CCCO2)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
31816,CO-ADD:0228037,5.86,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c4cc(Br)cc(Br)c4OC(c5ccccc5)=O,0.0
31817,CO-ADD:0230037,5.86,n1c(c(cc2)ccc2c3ccc(cc3)CCCCCCCC)cn(\N=C\c4ccccc4)c1N,0.0
31818,CO-ADD:0228108,5.86,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(CNc3cccc(cccc4)c34)=O,0.0
31819,CO-ADD:0230186,5.86,C(=O)(Nc(cc1)ccc1C)CC(=O)Nc(cc2)ccc2C,0.0
31820,CO-ADD:0230081,5.86,N1(c2ccc(cc2)C)C(=O)c3c(cc(cc3)NC(C)=O)C1=O,0.0
31821,CO-ADD:0232546,5.86,C(/c1c(N2)cccc1)(=N/NP(=O)(Oc(cc3)ccc3C)Oc(cc4)ccc4C)\C2=O,0.0
31822,CO-ADD:0232531,5.86,c1(\N=C\c2ccccc2O)n(c3ccccc3)nc(c4ccccc4)c1c5ccccc5,0.0
31823,CO-ADD:0222971,5.86,C12(\C=N\c3cccc(Br)c3)c4c(cccc4)C(C(C1C5=O)C(N5c6ccccc6)=O)c(cccc7)c27,0.0
31824,CO-ADD:0230701,5.86,C(=O)(N\N=C\c1cc(OC)ccc1OC)OC(C)(C)C,0.0
31825,CO-ADD:0231937,5.86,n1(c2c(nn1)cccc2)\C(\N3CCCCC3)=C(/[N+](=O)[O-])\C(\Cl)=C(/Br)\Cl,0.0
31826,CO-ADD:0223311,5.86,[N+](=O)([O-])c1ccccc1Oc(cc2)ccc2c3ccccc3,0.0
31827,CO-ADD:0223279,5.86,c1(ccc(C)o1)\C(\C)=N\NC(N)=S,0.0
31828,CO-ADD:0235539,5.86,c1(C(=O)NCc2ccco2)nonc1N,0.0
31829,CO-ADD:0223017,5.86,N1(CNc(cc2)ccc2CCCC)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OC)OC,0.0
31830,CO-ADD:0235340,5.86,n12c(nnc1CC(CC)=O)c(nc(non3)c23)Nc(cc4)ccc4Cl,0.0
31831,CO-ADD:0323614,5.86,C(NCCC(C1)(C2)CC(CC2CC13)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccccc4OC,0.0
31832,CO-ADD:0319724,5.86,c1(C(NCCc(ccc(c2OCC)OCC)c2)=O)cc(ccc1N(CC3)CCO3)[N+](=O)[O-],0.0
31833,CO-ADD:0319774,5.86,c1(NC(COc2cccc(C)c2C)=O)sc(c3c1C#N)CCC3,0.0
31834,CO-ADD:0223107,5.86,C(=N/NC(COc(cc1)ccc1Cl)=O)(/c2c(N3C)cccc2)\C3=O,0.0
31835,CO-ADD:0228575,5.86,c1(C#N)c(c2ccccc2)c3c(nc1N)CCCCC3,0.0
31836,CO-ADD:0228568,5.86,N1(n(cnn2)c2)C(C)(O)C(OC1=O)(C)C,0.0
31837,CO-ADD:0230045,5.86,c1cc(ccc1\C=N\NC(N)=S)NCS(=O)(=O)[O-],0.0
31838,CO-ADD:0230068,5.86,[N+](=O)([O-])c1ccccc1N2CCCCC2,0.0
31839,CO-ADD:0230183,5.86,c1(N)sc(c(ccc2C(OCC)=O)n1)c2,0.0
31840,CO-ADD:0230537,5.86,[N+](=O)([O-])c1cccc(c1)NC(=O)c2ccc(cc2)OC(N(C)C)=S,0.0
31841,CO-ADD:0230757,5.86,S(=O)(=O)(c1ccc(cc1)C)NC(Cc(cc2)ccc2OS(=O)(=O)c3ccc(cc3)C)C(=O)N\N=C/c(cc4)ccc4[N+](=O)[O-],0.0
31842,CO-ADD:0223130,5.86,c1(O)c(C)c(O)cc(C)c1\C=N\NC(COc2c(C)cccc2C)=O,0.0
31843,CO-ADD:0232338,5.86,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc(cc3)ccc3c(cc4)ccc4[N+](=O)[O-],0.0
31844,CO-ADD:0223436,5.86,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(=O)\C(=C\c(cc2)ccc2OCCC)\NC(c3ccccc3)=O,0.0
31845,CO-ADD:0228700,5.86,N1(c2cccc(c2)c3csc(Nc4cccc(cccc5)c45)n3)C(=O)c(c6C1=O)cccc6.Br,0.0
31846,CO-ADD:0235475,5.86,c1(NC(CSc2[nH]c(c3n2)cccc3)=O)nnc(SCC)s1,0.0
31847,CO-ADD:0235453,5.86,c1(c2ccc(OC(COc(ccc(c34)cccc3)c4)=O)c1)OC(C=C2C)=O,0.0
31848,CO-ADD:0235211,5.86,N(/c(cc1)ccc1NC(C)=O)=C\c(cc2)ccc2OCc3ccccc3,0.0
31849,CO-ADD:0222928,5.86,S(=O)(=O)(Nc(cc1)ccc1I)c(cccc2[N+](=O)[O-])c2,0.0
31850,CO-ADD:0235212,5.86,N(=C\c(cc1)ccc1OCc2ccccc2)/c3ccc(cc3O)C,0.0
31851,CO-ADD:0232412,5.86,C(=O)(N(CC1)CCN1c2ccccc2)c(cc3OC)cc(c3OC)OC,0.0
31852,CO-ADD:0235304,5.85,c1(non2)c2nc(Nc3ccccc3C)c(N\N=C\c4cccc(cccc5)c45)n1,0.0
31853,CO-ADD:0235842,5.85,C(c1ccccc1)(=O)Nc(cccc2C(=O)OCC(C)C)c2,0.0
31854,CO-ADD:0232763,5.85,C1(N(C)S(C)(=O)=O)=C(C)N(N(c2ccccc2)C1=O)C,0.0
31855,CO-ADD:0232006,5.85,[N+](=O)([O-])c(cc1\C=N\NC(c(cc2)ccn2)=O)cc(c1OC(=O)c3ccc(cc3)Br)Br,0.0
31856,CO-ADD:0231890,5.85,c1(OCC(=O)N\N=C(/C)\c(cc2)ccc2C(C)C)c(OC)cc(cc1Br)Br,0.0
31857,CO-ADD:0255468,5.85,C(C(OCC)=O)(=C1C)\C(=C\c2cccc(OCC=C)c2)\C(N1c3ccc(cc3)C)=O,0.0
31858,CO-ADD:0256084,5.85,c1(Nc2ccccc2)nc(N\N=C/c(ccc3c(cc4)c(OC)cc4[N+](=O)[O-])o3)nc(NC)n1.Cl,0.0
31859,CO-ADD:0255902,5.85,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c2cccc(Cl)c2)=O,0.0
31860,CO-ADD:0256519,5.85,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Cl)n1,0.0
31861,CO-ADD:0256345,5.85,c1(NC(CSc2nnc(C)[nH]2)=O)nnc(CC)s1,0.0
31862,CO-ADD:0256689,5.85,N12C(S\C(=C\c3cc(Br)ccc3O)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)ccc4OC,0.0
31863,CO-ADD:0255689,5.85,C(/NC(C)=O)(=C\c(ccc(c12)OCO1)c2)\C(=O)NC(CC)C(O)=O,0.0
31864,CO-ADD:0253527,5.85,C(=O)(C(Cc1ccccc1)NC(=O)Oc2ccccc2)Nc3ccc(cc3C)C,0.0
31865,CO-ADD:0256669,5.85,C1(C(=O)OC(C)CC)=C(C)NC(NC1c2ccc(c(OC)c2)O)=O,0.0
31866,CO-ADD:0256685,5.85,N12C(S\C(=C\c(cc3OC)cc(c3OCc4cccc(cccc5)c45)Br)\C1=O)=NC(C)=C(C(OCC)=O)C2c6cc(OC)ccc6OC,0.0
31867,CO-ADD:0253843,5.85,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CCc2ccccc2)CC(=O)N\N=C(\C)/CCc3ccccc3,0.0
31868,CO-ADD:0256049,5.85,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c4ccccc4O)nc(Nc(cc5)ccc5C)n1.Cl,0.0
31869,CO-ADD:0252406,5.85,N1(c2ccccc2OCC)C(=O)C(C(C1=O)C34CO)C(c(c35)cccc5)c(c46)cccc6,0.0
31870,CO-ADD:0254425,5.85,c1(cn2)c(CC(C)(C)CC1=O)nc2NC(CC)=O,0.0
31871,CO-ADD:0252340,5.85,c([N+](=O)[O-])(nn(c12)CC(=N1)C)c2[N+](=O)[O-],0.0
31872,CO-ADD:0247392,5.85,N1(COC(CSc2[nH]ncn2)=O)C(=O)c(c3C1=O)cccc3,0.0
31873,CO-ADD:0247344,5.85,c1(\N=C\c2cc(Br)ccc2O)c(c3ccc(c(OCC)c3)O)nc(cccc4)n14,0.0
31874,CO-ADD:0247951,5.85,C(F)(F)(F)c(ccc(c1\N=C\c(cc(Cl)cc2Cl)c2O)Oc(cc3)ccc3Cl)c1,0.0
31875,CO-ADD:0252354,5.85,C(F)(F)(F)c1cccc(c1)NC(=O)NNC(C)(C)\C=N/O,0.0
31876,CO-ADD:0252252,5.85,C1(C)(C(OCC)=O)C=C(C(=O)N1c2ccccc2)Nc(cccc3C(F)(F)F)c3,0.0
31877,CO-ADD:0247479,5.85,C(=O)(N\N=C\c(cc1)ccc1OC(C)=O)CCSc(cc2)ccc2Cl,0.0
31878,CO-ADD:0248913,5.85,C(=O)(Nc(ccc(c1C)I)c1)c2ccccc2Br,0.0
31879,CO-ADD:0247457,5.85,C(CCCOCCCC(NCCCCCC(OC)=O)=O)(NCCCCCC(OC)=O)=O,0.0
31880,CO-ADD:0249593,5.85,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C(OC)=O)=C1N)c4ccc(c5c4)OCO5,0.0
31881,CO-ADD:0249107,5.85,C(C1)(CC(CC12)CC3C2)(C3)NC(=O)C\C(\C)=N\NC(=O)c(cc4)ccc4c5ccccc5,0.0
31882,CO-ADD:0249651,5.85,c(C#N)(c(\C(\C#N)=C\c(cc1OC)cc(c1OCc2ccccc2)Br)nn3c4ccccc4)c3N,0.0
31883,CO-ADD:0256338,5.85,C1(C2c3ccc(c(OC)c3)O)=C(c4c(cccc4)OC1=O)OC(N)=C2[N+](=O)[O-],0.0
31884,CO-ADD:0256402,5.85,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
31885,CO-ADD:0256611,5.85,C(=O)(c1ccc(cc1)Cl)NCc2ccccn2,0.0
31886,CO-ADD:0250696,5.85,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(c(cccc3)c3n4Cc5ccccc5)c4,0.0
31887,CO-ADD:0250720,5.85,C(=C\c1cccc(Br)c1)(/C(=O)NN2c3ccc(cc3)F)\C2=O,0.0
31888,CO-ADD:0249953,5.85,C(=N)(N(CC1)CCO1)\C(\C#N)=N\Nc2ccccc2C(F)(F)F,0.0
31889,CO-ADD:0256923,5.85,C(C(OC)=O)(=C1C)\C(=C\c2ccccc2)\C(N1CC(C)C)=O,0.0
31890,CO-ADD:0256557,5.85,c1(SCc2ccccc2)sc3c(ccc(c3)NC(CSCC(=O)Nc(ccc(c45)cccc4)c5)=O)n1,0.0
31891,CO-ADD:0253968,5.85,S(=O)(=O)(c1ccc(cc1)\N=C\c(ccc(c2OCC)O)c2)Nc3ccccn3,0.0
31892,CO-ADD:0257108,5.85,C(/C#N)(\C(=O)N1CCCCC1)=C(/c2c(N3)cccc2)\C3=O,0.0
31893,CO-ADD:0256066,5.85,c1(N(CC2)CCO2)nc(N\N=C\c3c(O)ccc(cccc4)c34)nc(NCc5ccccc5)n1.Cl,0.0
31894,CO-ADD:0247920,5.85,N1(CCc(ccc(c2OC)OC)c2)C(=O)C(C3C1=O)C4CC3C=C4,0.0
31895,CO-ADD:0247912,5.85,N1(c(cc2)ccc2C(=O)Nc(cc3)ccc3N(C)C)C(=O)c4c(cccn4)C1=O,0.0
31896,CO-ADD:0247427,5.85,c1(c(cccc1F)F)C(=O)O\N=C(/C)\c2ccc(cc2F)F,0.0
31897,CO-ADD:0252942,5.85,C1(NS(=O)(=O)c(cc2)ccc2C(C)(C)C)=C(C)N(N(c3ccccc3)C1=O)C,0.0
31898,CO-ADD:0247335,5.84,C(=O)(NNC(=O)c1ccc(c(OC)c1)OC)C(=O)NC(C)(C)C,0.0
31899,CO-ADD:0254508,5.84,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3S(=O)(=O)Nc4ccccc4)=N1,0.0
31900,CO-ADD:0252282,5.84,N12C(=NCC1)SC=C2c3ccc(c(Br)c3)OC.Br,0.0
31901,CO-ADD:0252890,5.84,N1(c2cccc(c2)C#C)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
31902,CO-ADD:0247694,5.84,c1(ccc(cc1Cl)Cl)\C(\C)=N/NC(Cc2ccccc2)=O,0.0
31903,CO-ADD:0249686,5.84,N1(\N=C\c(cc2)ccc2[N+](=O)[O-])C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
31904,CO-ADD:0249583,5.84,N1(CCc2ccccc2)\C(=N\c3ccccc3)\SC(CC(=O)Nc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
31905,CO-ADD:0252563,5.84,c1(C2=O)c(cc(C)nc1)c3c2cc(cc3)C,0.0
31906,CO-ADD:0254944,5.84,N(\C(=C/c(ccc(c1OC)OCc2ccccc2Cl)c1)\C(O3)=O)=C3c(cc4)ccc4C(C)(C)C,0.0
31907,CO-ADD:0249906,5.84,C(=C/c(ccc1c(cc2)c(C)c(c2[N+](=O)[O-])C)o1)(/C3=O)\C(=O)NC(=O)N3,0.0
31908,CO-ADD:0255769,5.84,C1(C(=O)OCC2CCCO2)=C(C)NC(NC1c3ccccc3OCc4ccccc4)=O,0.0
31909,CO-ADD:0255780,5.84,C1(C(=O)OCC2CCCO2)=C(C)NC(NC1c(cc3OC)cc(c3O)Cl)=O,0.0
31910,CO-ADD:0250458,5.84,N1(c2cccc(c2)C(OCC)=O)C(=O)C(C(C3c(c45)cccc4)C1=O)C5c(c36)cccc6,0.0
31911,CO-ADD:0255957,5.84,N1(CC(=O)c2ccc(cc2)Br)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
31912,CO-ADD:0250490,5.84,c1(SCC)nc(c2n1CC(=O)Nc3c(C)cccc3C)cccc2,0.0
31913,CO-ADD:0255862,5.84,C1(=O)c2c(ccc(Br)c2)N=C(C)N1c3ccc(cc3)OC,0.0
31914,CO-ADD:0255431,5.84,[N+](=O)([O-])c1ccc(cc1C)C(=O)NCc(cccn2)c2,0.0
31915,CO-ADD:0255850,5.84,n1(nnc(C(=O)N\N=C(/C)\c(ccc(c2Cl)Cl)c2)c1CN(CC3)CCO3)c4nonc4N,0.0
31916,CO-ADD:0256209,5.84,c1(\C(\C#N)=C\c(c(cccc2)c2n3Cc4ccc(cc4Cl)Cl)c3)nc(c5n1Cc(cc6)ccc6Cl)cccc5,0.0
31917,CO-ADD:0255984,5.84,C(=O)(c(cccn1)c1)Nc(cc(C)cc2C)c2,0.0
31918,CO-ADD:0249943,5.84,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccccc3OC,0.0
31919,CO-ADD:0254951,5.84,N(c1cccc(OC)c1)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
31920,CO-ADD:0248255,5.84,c1(nc(c2n1CC(=O)N\N=C/c3cc(I)cc(I)c3OCc4ccccc4)cccc2)c5nonc5N,0.0
31921,CO-ADD:0252451,5.84,c1(NC(CSc2ccccn2)=O)sc(c3c1C#N)CCCC3,0.0
31922,CO-ADD:0252419,5.84,S(=O)(=O)(c1ccc(cc1)\N=C\c(ccc(c2OC)OCc3ccccc3)c2)Nc4ccccn4,0.0
31923,CO-ADD:0253059,5.84,C(N)(N\N=C\c1cccs1)=S,0.0
31924,CO-ADD:0253057,5.84,c12n(c(nn1)SCCC)ncn2\N=C\c3ccco3,0.0
31925,CO-ADD:0252727,5.84,C(C(NN)=O)(C(=O)NC(=C1C(OCC)=O)C)=C1,0.0
31926,CO-ADD:0252701,5.84,n1(CC2)c(C(N2C=O)CCC3)c3c(cc(C)cc4)c14,0.0
31927,CO-ADD:0249143,5.84,n1(NC(=O)c2ccco2)nnnc1N,0.0
31928,CO-ADD:0249346,5.84,c(c1c(s2)CCC1)(C3=O)c2N=C(SCC(=O)Nc(cc4)ccc4CC)N3c5ccccc5,0.0
31929,CO-ADD:0247460,5.84,c1(C)c(cccc1\N=C/C#Cc2ccccc2)Cl,0.0
31930,CO-ADD:0252800,5.84,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3OCC)cc(c3OC)Br,0.0
31931,CO-ADD:0249365,5.84,N1(c2cccc(c2)C(=O)NC(=CNC(N3)=O)C3=O)C(=O)c4c(cc(cc4)Oc(cccc5[N+](=O)[O-])c5)C1=O,0.0
31932,CO-ADD:0249146,5.84,C1(C2CC(C=C2)N1C(OC)=O)(C(F)(F)F)C(F)(F)F,0.0
31933,CO-ADD:0255527,5.84,C1(C(OCCOC)=O)=C(C)NC(NC1c2ccccc2OC)=O,0.0
31934,CO-ADD:0249948,5.84,C(C#N)(=C(N)SC(=C1C#N)N)C1c2ccccc2OC,0.0
31935,CO-ADD:0256200,5.84,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
31936,CO-ADD:0253757,5.84,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(=O)c4ccccc4F)n1,0.0
31937,CO-ADD:0250562,5.84,C1(C#N)(C#N)[C@H](c2ccc(cc2)SC)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C56CC7CC(CC(C7)C5)C6,0.0
31938,CO-ADD:0256219,5.84,c1(non2)c2nc(Nc(ccc(c3N4)NC4=O)c3)c(N\N=C\c5cc(Br)cc(Br)c5OCc6ccc(cc6Cl)Cl)n1,0.0
31939,CO-ADD:0255267,5.84,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4ccccc4OCc5ccccc5,0.0
31940,CO-ADD:0250683,5.83,C(C)(NC(=O)Nc1ccccc1Br)(C(F)(F)F)C(F)(F)F,0.0
31941,CO-ADD:0250699,5.83,S(=O)(=O)(N1CCCC1)c(ccc(c2C(=O)Nc(cc3)ccc3NC(c4ccccc4)=O)Cl)c2,0.0
31942,CO-ADD:0256739,5.83,C(/S\C(\C1=O)=C/c(ccc2c3cccc(Cl)c3)o2)(=N\C(C)=O)\N1,0.0
31943,CO-ADD:0255941,5.83,S(=O)(=O)(NC1CCCCCC1)c(cccc2S(=O)(=O)c3ccc(cc3)Cl)c2,0.0
31944,CO-ADD:0252655,5.83,S(=O)(=O)(N(CC1)CCN1C)c2ccc(c(nsn3)c23)Br,0.0
31945,CO-ADD:0252642,5.83,S(c1ccccc1)(=O)(=O)N(c2ccccc2)CC(NCCCC3CCCCC3=O)=O,0.0
31946,CO-ADD:0254549,5.83,C1(C(c2ccc(cc2)C)C3C(=O)CC(CC3=O)(C)C)=C(O)CC(C)(C)CC1=O,0.0
31947,CO-ADD:0247898,5.83,C1(C(OCCCC)=O)=C(C)NC(=C2C1c3cc(OC)ccc3OC)CCCC2=O,0.0
31948,CO-ADD:0252999,5.83,c12c(nnc(SCc3ccccc3Cl)n1)c4c(cccc4)n2CCC,0.0
31949,CO-ADD:0252991,5.83,c1(NC(CSc2nc(C)cc(C)n2)=O)nnc(CC)s1,0.0
31950,CO-ADD:0255218,5.83,c1(N(CC2)CCO2)nc(CSc3sc(c4n3)cccc4)nc(N)n1,0.0
31951,CO-ADD:0250619,5.83,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C/c(ccs3)c3,0.0
31952,CO-ADD:0256220,5.83,N1c(ccc(c2)C(O)=O)c2C3C(CC=C3)C1C(CCC=C4)C4,0.0
31953,CO-ADD:0256744,5.83,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c3ccccc3OC(C)C)=O,0.0
31954,CO-ADD:0253715,5.83,c1(nonc1N)\C(\N)=N\OCC(=O)Nc(cc2)ccc2[N+](=O)[O-],0.0
31955,CO-ADD:0255617,5.83,c12n(c(cc(C)n1)C)nc(C(OCCCC)=O)n2,0.0
31956,CO-ADD:0253791,5.83,n1(c(C)ccc1C)c2cccc(c2)C(=O)N\N=C\c3ccccc3C,0.0
31957,CO-ADD:0255998,5.83,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C(OCC)=O)=C1N)c4ccc(c5c4)OCO5,0.0
31958,CO-ADD:0253417,5.83,n12c(ccc(N(CC3)CCN3c(c(F)c4F)c(F)c(c4C(F)(F)F)F)n1)nnc2C(F)(F)F,0.0
31959,CO-ADD:0256410,5.83,N(CC1)(CCN1CCOc2ccccc2OC)c3ccccc3C,0.0
31960,CO-ADD:0256837,5.83,c1(SC)sc2c(ccc(c2)\N=C\c3cccc(Cl)c3)n1,0.0
31961,CO-ADD:0255881,5.83,c1(SC2c3c(c(cccc4)c24)cccc3)nnnn1c5ccccc5,0.0
31962,CO-ADD:0254019,5.83,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc4OC)cc(c4OCc5ccccc5Cl)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
31963,CO-ADD:0255182,5.83,S(=O)(=O)(c(cccc1S(=O)(=O)c2ccc(c(Cl)c2)Cl)c1)N3CC(C)CC(C)C3,0.0
31964,CO-ADD:0252293,5.83,c1(ccccc1N(C)CC(O)=O)C(O)=O,0.0
31965,CO-ADD:0247524,5.83,N1(\N=C\c2cccc(Cl)c2)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
31966,CO-ADD:0252238,5.83,[N+](=O)([O-])c(ccc(c1\C=N\c2cccc(CO)c2)O)c1,0.0
31967,CO-ADD:0254950,5.83,C1(c2ccccc2C)=NNC(=S)N1c3ccccc3,0.0
31968,CO-ADD:0248254,5.83,c1(SCC(NCCCC)=O)sc2c(ccc(c2)NC(c3ccccc3)=O)n1,0.0
31969,CO-ADD:0252314,5.83,N(N(C)C)=Nc(cc1)ccc1C(NCCO)=O,0.0
31970,CO-ADD:0252369,5.83,O=C(NC1=CC=CC2=CC=CC=C12)C#Cc3ccccc3,0.0
31971,CO-ADD:0250094,5.83,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
31972,CO-ADD:0255610,5.83,N1(c2cccc(cccc3)c23)C(=O)c4c(cc(cc4)N)C1=O,0.0
31973,CO-ADD:0255419,5.83,[N+](=O)([O-])c1cccc(c1C)C(=O)Nc2ccc(cc2C(O)=O)Br,0.0
31974,CO-ADD:0255563,5.83,c1(noc(CCCCC)n1)c2nonc2N,0.0
31975,CO-ADD:0255868,5.83,c12c(ncnc1SCC(=O)c3ccc(c4c3)cccc4)[nH]cn2,0.0
31976,CO-ADD:0255712,5.83,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(Cl)c2)OC(N3CCCCC3)=N1,0.0
31977,CO-ADD:0253209,5.83,c(C(OCC)=O)(c(C)nc(c1C(OCC)=O)C)c1c2ccccc2,0.0
31978,CO-ADD:0253669,5.83,C(C1CCN2CC1)(C2)C(=O)c3cccs3,0.0
31979,CO-ADD:0250552,5.83,C(C#N)(C1c(ccc(c2COc3ccccc3Cl)OC)c2)=C(N)N(C(CCCC4=O)=C14)c5ccc(cc5)Br,0.0
31980,CO-ADD:0250446,5.83,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(ccc(c4OC)OCc(cc5)ccc5C)c4)\C1=O,0.0
31981,CO-ADD:0250666,5.83,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)CC)c4sc(c5c4C(OCC)=O)CCCC5,0.0
31982,CO-ADD:0255762,5.83,c1(C(c2ccccc2)=O)c(C)[nH]c(C(OCC)=O)c1C,0.0
31983,CO-ADD:0252689,5.83,C1(C)(OCCO1)CC(=O)N\N=C\c(cc2)ccc2O,0.0
31984,CO-ADD:0252619,5.83,C(\C(\C=C\c(cc1)ccc1OC)=N/Nc2ccccc2)#Cc3ccccc3,0.0
31985,CO-ADD:0247404,5.83,n1(nnc(C(=O)N\N=C\C(C)C)c1c(cccc2[N+](=O)[O-])c2)c3nonc3N,0.0
31986,CO-ADD:0252661,5.83,[N+](=O)([O-])c(ccc(c1\C=N\c(cc2)ccc2I)O)c1,0.0
31987,CO-ADD:0255204,5.83,C(C(OC)=O)(C(c1ccc(cc1)Cl)C2=C(N3c4ccccc4F)CCCC2=O)=C3N,0.0
31988,CO-ADD:0248215,5.83,C(/C=C(O1)c2ccccc2)(\C1=O)=C\c3c(OC)ccc(cccc4)c34,0.0
31989,CO-ADD:0252454,5.83,N1(CC(=O)OCc2ccccc2Cl)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
31990,CO-ADD:0248262,5.83,N1C(=O)\C(\SC1=N)=C\c(cc2Br)cc(c2O)Br,0.0
31991,CO-ADD:0250418,5.83,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc(c4OC)OCC#N)c4)\C1=O,0.0
31992,CO-ADD:0250612,5.83,N1(c2cccc(Cl)c2)C(=O)\C(\SC1=S)=C/c(cc(OCO3)c3c4)c4Cl,0.0
31993,CO-ADD:0255287,5.83,N#Cc(cccc1\N=C\c(cc2)ccc2C)c1,0.0
31994,CO-ADD:0253941,5.83,[N+](=O)([O-])c1c(C)cc(c(F)c1)Oc2ccccc2F,0.0
31995,CO-ADD:0256554,5.83,c1(c2c([nH]c1C)cccc2)C3N(CCN3Cc4ccccc4)Cc5ccccc5,0.0
31996,CO-ADD:0257156,5.83,c1(SC(CC)C(=O)Nc2cccc(cccc3)c23)nc(C)cc(C)n1,0.0
31997,CO-ADD:0255994,5.83,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C\c(cc4I)cc(c4O)I,0.0
31998,CO-ADD:0256778,5.82,c(C#N)(c(N([H])[H])n(n1)CCO[H])c1\C(\C#N)=C\c(cc2OC)cc(c2OCc3ccc(cc3Cl)Cl)Br,0.0
31999,CO-ADD:0253978,5.82,N1(C2c3ccccc3)C(S\C(=C\c(cc4)cc(c4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32000,CO-ADD:0253980,5.82,N1(C2c3ccc(cc3)OC)C(S\C(=C/c4c(OC)ccc(cccc5)c45)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32001,CO-ADD:0257154,5.82,S(N)(=O)(=O)c1ccc(cc1)NC(=O)C(CC)Sc2nccn2C,0.0
32002,CO-ADD:0256317,5.82,n1(c2c(nc1C)cccc2)c(nc(N(c3ccccc3)c4ccccc4)nc5n6c7c(nc6C)cccc7)n5,0.0
32003,CO-ADD:0250321,5.82,N(c1cccc(cccc2)c12)(C(=O)C(C34)C(C=C5)OC35C)C4=O,0.0
32004,CO-ADD:0250497,5.82,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c(cccc2C(F)(F)F)c2,0.0
32005,CO-ADD:0256129,5.82,n1c(c2ccccc2)cc(\N=C\c(cccn3)c3)n1c4ccccc4,0.0
32006,CO-ADD:0252295,5.82,N1(Cc2ccccc2)C(=O)CC(C)=N1,0.0
32007,CO-ADD:0252612,5.82,c1(C#N)c(N)nc(cc1c2ccccc2F)C,0.0
32008,CO-ADD:0252227,5.82,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2OCC)cc(c2OC)I,0.0
32009,CO-ADD:0247836,5.82,C1(CC(CC2C1)CC3(C2)C(=O)Nc4ccc(cc4Cl)Cl)(C3)n(c5)nc(n5)Cl,0.0
32010,CO-ADD:0247822,5.82,C(=C/c(cc1)ccc1N2C(c3ccccc3)CC(c4ccccc4)=N2)(/c(cc(cc5[N+](=O)[O-])[N+](=O)[O-])c56)\c(cc(cc7[N+](=O)[O-])[N+](=O)[O-])c67,0.0
32011,CO-ADD:0247826,5.82,N(c1c(ccc(OC)c1)\C(\C2=S)=C(/SC(=C3C(OC)=O)C(OC)=O)\S3)(C2(C)C)C(=O)c4ccccc4I,0.0
32012,CO-ADD:0253003,5.82,s1c(c2ccccc2)nnc1NC(COC(CSc3nc(C)cc(C)n3)=O)=O,0.0
32013,CO-ADD:0255357,5.82,c12c(nnc(SC(CC)C(=O)Nc3sc(c4c3C#N)CCCC4)n1)c5c(cccc5)n2CCC,0.0
32014,CO-ADD:0255837,5.82,C1(=C(C)NC(NC1c(cccc2[N+](=O)[O-])c2)=O)C(=O)OC(C)C(C)(C)C,0.0
32015,CO-ADD:0250146,5.82,n12c(ccc(Br)c1)nc(C)c2C(=O)N\N=C/c(cc3)ccc3OC,0.0
32016,CO-ADD:0253248,5.82,c1(ccc(cc1OC)\C=N\c(ccc(c2Br)C)c2)OC(C)=O,0.0
32017,CO-ADD:0250443,5.82,c1(\N=C\c2cc(Br)ccc2OC(C)C)c(c3ccc(c(OC)c3)O)nc(cccc4)n14,0.0
32018,CO-ADD:0254026,5.82,n1c(N)[nH]nc1SCc(cc2)ccc2C,0.0
32019,CO-ADD:0253424,5.82,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)Nc4c(C)ccc(Cl)c4)cccc3,0.0
32020,CO-ADD:0256717,5.82,c1(cc(OC)ccc1NC(CSc2sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n2)=O)[N+](=O)[O-],0.0
32021,CO-ADD:0253664,5.82,C1(C2Cl)C(CC2Sc3ccccc3[N+](=O)[O-])C(c4ccccc4)Nc(ccc(C(O)=O)c5)c15,0.0
32022,CO-ADD:0253353,5.82,C1(=CCC(=O)O1)c2ccc(cc2C)OC,0.0
32023,CO-ADD:0256720,5.82,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(=O)\C=C\c4ccccc4)n1,0.0
32024,CO-ADD:0255908,5.82,C1(C(OCCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
32025,CO-ADD:0250329,5.82,[N+](=O)([O-])c(ccc(c1\C=N\c(ccc(c23)c4c(cccc4)o2)c3)N(CC5)CCN5CCO)c1,0.0
32026,CO-ADD:0250680,5.82,N1(c(ccc(c2C(=O)N3CCCCC3)Cl)c2)C(=O)c(c4C1=O)cccc4,0.0
32027,CO-ADD:0256310,5.82,C1(C(=O)OCC2CCCO2)=C(C)NC(NC1c(ccc(c34)OCO3)c4)=O,0.0
32028,CO-ADD:0256524,5.82,c12c(nnc(S)n1)c3c(cccc3)n2C,0.0
32029,CO-ADD:0253789,5.82,C1([N+](=O)[O-])=C(NC2CCCC2)c3c(cccc3)OC1=O,0.0
32030,CO-ADD:0256138,5.82,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(=O)NC5CCCCC5)c3,0.0
32031,CO-ADD:0252984,5.82,C(=O)(Nc1cccc(Cl)c1Cl)c2ccccc2I,0.0
32032,CO-ADD:0248154,5.82,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(N)(=O)=O)n1)c4c(cccc4)n2CC=C,0.0
32033,CO-ADD:0247915,5.82,S(=O)(=O)(c1c(C)cc(cc1C)C)N2CCc(c3C2)cccc3,0.0
32034,CO-ADD:0252191,5.82,c(C#N)(c(\C(\C#N)=C\c(ccc(c1)N(CC)CC)c1OCc(cc2)ccc2Cl)nn3c4ccccc4)c3N,0.0
32035,CO-ADD:0247409,5.82,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NS(=O)(=O)c4ccc(cc4)C,0.0
32036,CO-ADD:0255185,5.82,s1c(SCc2ccccn2)nnc1SCc3ccccn3,0.0
32037,CO-ADD:0252883,5.82,c1(c2ccc(cc2)NC(=O)c(ccc(c3Cl)Cl)c3)[nH]c(c4n1)cccc4,0.0
32038,CO-ADD:0253019,5.82,N1(COC(CSc2c(C#N)cc(c(N)n2)C#N)=O)C(=O)c(c3C1=O)cccc3,0.0
32039,CO-ADD:0254098,5.82,N1(C(=O)c2cccc(Cl)c2)N=C(CC1(O)c3ccc(cc3)OC)CC,0.0
32040,CO-ADD:0249989,5.82,c1(SCC(OCC(COC(CSc2nc(C)cc(C)n2)=O)=O)=O)nc(C)cc(C)n1,0.0
32041,CO-ADD:0253844,5.82,c1(C(=O)N\N=C\c(cccn2)c2)c(C)nc(cccc3)n13,0.0
32042,CO-ADD:0253510,5.82,C1(C)(O)C2(CCCCC2)OC(NN1)=O,0.0
32043,CO-ADD:0253278,5.82,c1(C#N)c(SC)nsc1N\N=C\c(cc2)ccc2O,0.0
32044,CO-ADD:0253543,5.82,N1(CCN(c2cccc(cccc3)c23)C(=O)c4cccc(C)c4)C(=O)c(c5C1=O)cccc5,0.0
32045,CO-ADD:0250018,5.82,c1(C#N)c(N)nc(c2c1c3ccc(cc3C)C)CCCCCC2,0.0
32046,CO-ADD:0255790,5.81,C1(C(OCCCCCCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
32047,CO-ADD:0250541,5.81,N1(CC)C(=O)\C(\SC1=S)=C/c(cc(Br)cc2[N+](=O)[O-])c2O,0.0
32048,CO-ADD:0257134,5.81,S(=O)(=O)(c1ccc(cc1)NC(CSc(nnc2NS(C)(=O)=O)s2)=O)\N=C\N(C)C,0.0
32049,CO-ADD:0256342,5.81,N1C(SCC(=O)Nc2c(Br)cc(cn2)Br)=NN=C(C)C1=O,0.0
32050,CO-ADD:0253229,5.81,c12c(nnc(SC(CC)C(=O)Nc3sc(c4c3C#N)CCCC4)n1)c5c(cccc5)n2CC=C,0.0
32051,CO-ADD:0256292,5.81,C1(C(c2ccccc2)=O)=C(c3ccccc3)OC(c4ccc(cc4)Br)=NC1=S,0.0
32052,CO-ADD:0250692,5.81,n1(nnc(C(=O)N\N=C\c(c2c([nH]3)cccc2)c3)c1CN(CC4)CCO4)c5nonc5N,0.0
32053,CO-ADD:0253152,5.81,C(=O)(c1ccc(cc1)OC)Nc2cccc(c2)OC(=O)c(cc3)ccc3c4ccccc4,0.0
32054,CO-ADD:0255887,5.81,N1(CN(CC2)CCN2c3ccccc3OCC)N=C(N(C)C1=S)COc(cc4)ccc4C5CCCCC5,0.0
32055,CO-ADD:0255461,5.81,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)OCC)c4sc(c5c4C#N)CCCC5,0.0
32056,CO-ADD:0249562,5.81,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
32057,CO-ADD:0249575,5.81,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
32058,CO-ADD:0249401,5.81,c(C#N)(c(\C(\C#N)=C\c(cc1OC)cc(c1OC)Br)nn2c3ccccc3)c2N,0.0
32059,CO-ADD:0254705,5.81,C1(C(=O)Nc(cccn2)c2)C(C1(Cl)Cl)c3ccccc3,0.0
32060,CO-ADD:0247431,5.81,n1c(cccc1c2ccc(cc2)Oc(ccc(c3C#N)C#N)c3)c4ccc(cc4)Oc(ccc(c5C#N)C#N)c5,0.0
32061,CO-ADD:0255223,5.81,c1(C2(CCCCC2)N3CCCCC3)nnnn1c4cccc(Cl)c4,0.0
32062,CO-ADD:0253800,5.81,n1(c2ccc(cc2)C)c(c3ccccc3)c(cc1c4ccccc4)\C=N\NC(=O)c(cccc5n6c(C)ccc6C)c5,0.0
32063,CO-ADD:0253730,5.81,N1(c2cccc(Cl)c2)C(=O)\C(\SC1=S)=C/c(cc(n3c4ccccc4)C)c3C,0.0
32064,CO-ADD:0254106,5.81,C(C(=O)OC1CCCCC1)(C(c2ccccc2Cl)N3)=C(C)N(C3=O)CC,0.0
32065,CO-ADD:0249997,5.81,C(=O)(CN(CC1)CCN1C)Nc(cc2)ccc2OCc3ccccc3,0.0
32066,CO-ADD:0255776,5.81,C1(C(=O)OCC(Cl)(Cl)Cl)=C(C)NC(NC1c2ccccc2OCCCC)=O,0.0
32067,CO-ADD:0250021,5.81,C1(C(OCC)=O)=C(N)OC(CCCC2=O)=C2C1c3ccc(C)s3,0.0
32068,CO-ADD:0255360,5.81,c1(NC(=O)C(CC)OC(=O)C(CCSC)NC(C)=O)sc(c2c1C#N)CCCC2,0.0
32069,CO-ADD:0255396,5.81,C(/C#N)(\C(N)=O)=C/c(cc1OC)cc(c1OCc2ccc(cc2Cl)Cl)I,0.0
32070,CO-ADD:0255680,5.81,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(cc3)c(c4C1=O)c(c3C5=O)c(cc4)C(N5c6cccc(c6)[N+](=O)[O-])=O,0.0
32071,CO-ADD:0255732,5.81,P(O)(O)(=O)CCN1CCCC1=O,0.0
32072,CO-ADD:0255917,5.81,C(C(OCC)=O)(C(=O)\C(\N1)=C/c(cccc2Oc3ccccc3)c2)=C1C,0.0
32073,CO-ADD:0250188,5.81,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c4cccc(OC)c4O)n1,0.0
32074,CO-ADD:0250197,5.81,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
32075,CO-ADD:0253355,5.81,C(c1ccccc1)(=O)N\N=C(/C)\C=C\c(ccc(c23)OCO2)c3,0.0
32076,CO-ADD:0255293,5.81,C(/CC1)(=C/c(cc2)ccc2Cl)\C(=O)\C(\C1)=C\c(cc3)ccc3Cl,0.0
32077,CO-ADD:0256234,5.81,c12n(cc(c3ccccc3)n1)N=C(CCC(O)=O)C(=O)N2,0.0
32078,CO-ADD:0253281,5.81,c1(C#N)c(SC)nsc1N\N=C\c(cccc2[N+](=O)[O-])c2,0.0
32079,CO-ADD:0250338,5.81,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)Nc(cc2)ccc2C(C)=O,0.0
32080,CO-ADD:0252234,5.81,N1(c2ccc(cc2)C)C(=O)c3c(cc(cc3)\N=C\c(cc4)ccc4Cl)C1=O,0.0
32081,CO-ADD:0254366,5.81,C(=O)(N\N=C\c1cccc(cccc2)c12)c3ccco3,0.0
32082,CO-ADD:0248946,5.81,c12c(nnc(SCC(=O)Nc(cccc3C(F)(F)F)c3)n1)c4c(cccc4)n2CC,0.0
32083,CO-ADD:0255148,5.81,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc4OC)cc(c4OCc5ccc(cc5Cl)Cl)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32084,CO-ADD:0255111,5.81,C(CSc(cc1)ccc1Cl)(=O)NCc2ccccc2OC,0.0
32085,CO-ADD:0255120,5.81,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(NCCc4ccccc4)=O,0.0
32086,CO-ADD:0253164,5.81,S(=O)(=O)(c(cccc1C(=O)Nc(cc2)ccc2Cl)c1)N3CCCC3,0.0
32087,CO-ADD:0250079,5.81,N(C(=O)\C(\S1)=C/c2ccc(C)o2)=C1N3CCCCC3,0.0
32088,CO-ADD:0255724,5.81,C(=CNC(N1)=O)(NC(=O)c2cccs2)C1=O,0.0
32089,CO-ADD:0255861,5.8,N(CN1CCCc(cc(OC)cc2)c12)(N=C(N3C)c4cccc(OC)c4)C3=S,0.0
32090,CO-ADD:0253215,5.8,N(CCN1S(c2ccccc2)(=O)=O)(C1c(cc3)ccc3N(C)C)S(=O)(=O)c4ccc(cc4)C,0.0
32091,CO-ADD:0253327,5.8,N1(CNc2cccc(Cl)c2)C(=O)\C(\SC1=O)=C\c(cc3)ccc3F,0.0
32092,CO-ADD:0253382,5.8,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4OC)cc(c4O)OC)\C1=O,0.0
32093,CO-ADD:0256764,5.8,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5[N+](=O)[O-])O,0.0
32094,CO-ADD:0253292,5.8,N1(c2cccc(c2)C(OC)=O)C(=O)C3C(C(CC4)C=CC34)C1=O,0.0
32095,CO-ADD:0253485,5.8,n1(c2ccccc2)c(SCC(=O)N3CCCc(cccc4)c34)nnc1c5ccc(cc5)OC,0.0
32096,CO-ADD:0256635,5.8,N1(c2cccc(I)c2)C(=O)c3c(N=C1c(cc4)ccc4[N+](=O)[O-])cccc3,0.0
32097,CO-ADD:0254040,5.8,c1(sc(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3OC)OC)c3,0.0
32098,CO-ADD:0250294,5.8,C(=N/c1ccccc1)(/SC=C2c3ccc(c(F)c3)OC)\N2CCO.Br,0.0
32099,CO-ADD:0256602,5.8,c1(c(OC)cc(cc1[N+](=O)[O-])SCc2ccccc2)C(=O)Nc3ccccc3,0.0
32100,CO-ADD:0249909,5.8,c1(non2)c2nc(Nc(cc3)ccc3I)c(N\N=C\c(cc4)ccc4C(C)C)n1,0.0
32101,CO-ADD:0256056,5.8,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(cc4)ccc4Br)nc(Nc(cc5)ccc5C)n1.Cl,0.0
32102,CO-ADD:0254070,5.8,C(C#N)(C(c(cc1OC)cc(c1OC)OC)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
32103,CO-ADD:0252198,5.8,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
32104,CO-ADD:0254368,5.8,c1(c(cccc1OC)OC)C(=O)NCc2ccco2,0.0
32105,CO-ADD:0248889,5.8,C(F)(F)(F)c1ccccc1\C=N\NC(=O)c2ccc(cc2)CN(CCc(c34)cccc3)C4,0.0
32106,CO-ADD:0254461,5.8,C1(=COC(=O)C=C1)C(=O)Nc(cc2)ccc2Cl,0.0
32107,CO-ADD:0248891,5.8,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c4ccccc4OC)C2,0.0
32108,CO-ADD:0252792,5.8,N1(\N=C\c(ccc(c2Br)O)c2)C(=O)c3c(c4C1=O)c(c(CC5)cc3)c5cc4,0.0
32109,CO-ADD:0254553,5.8,C(/c1c(N2)cccc1)(=N\c3ccc(cc3[N+](=O)[O-])\N=C(\c4c(N5)cccc4)/C5=O)\C2=O,0.0
32110,CO-ADD:0250099,5.8,C(=C(/CCCC1)\C1)(/C#N)\C(=O)Nc(cc2)ccc2OC,0.0
32111,CO-ADD:0253473,5.8,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(ccc(c3OC)OCc4c(cccc4F)Cl)c3)\N2c5ccccc5,0.0
32112,CO-ADD:0253482,5.8,N(C(=O)NN=C1SCCC)C1=O,0.0
32113,CO-ADD:0250713,5.8,S(=O)(=O)(N(CC1)CCO1)c2c(Cl)ccc(c2)C(=O)Nc(cc3)ccc3F,0.0
32114,CO-ADD:0256509,5.8,C(=S)(N(CC1)CCN1c(cc2)ccc2[N+](=O)[O-])NC(=O)c3ccc(cc3)Br,0.0
32115,CO-ADD:0256282,5.8,N1(\N=C\c(ccc(c2OC)OC)c2)C(=O)CN(C)C1c3ccc(c(OC)c3)OC,0.0
32116,CO-ADD:0256710,5.8,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
32117,CO-ADD:0253650,5.8,[N+](=O)([O-])c1cc(Cl)ccc1c2ccc(o2)\C=C(/C#N)\C(N)=O,0.0
32118,CO-ADD:0255909,5.8,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(NC1c3ccccc3OCc4ccccc4)=O,0.0
32119,CO-ADD:0255531,5.8,C1(C(=O)OC2CCCCCCC2)=C(C)NC(NC1c3ccccc3OCc4ccccc4)=O,0.0
32120,CO-ADD:0250558,5.8,C1(C#N)(C#N)C(c(ccs2)c2)[C@@]([H])(C3)C(C(C#N)=C1N)=CCN3C(=O)OC(C)(C)C,0.0
32121,CO-ADD:0252192,5.8,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3)ccc3SC,0.0
32122,CO-ADD:0252327,5.8,c1(\C=C(/C)\N(C)C)c(cc(cc1C(=O)c2ccc(cc2)OC)[N+](=O)[O-])[N+](=O)[O-],0.0
32123,CO-ADD:0248270,5.8,c1(nc(c2n1Cc(cc3)ccc3C)cccc2)c4nonc4N,0.0
32124,CO-ADD:0248132,5.8,c12c(nnc(SCC(=O)c3ccc(cc3)Br)n1)c4c(cccc4)n2CC=C,0.0
32125,CO-ADD:0248110,5.8,c1(C#N)c(SC)nsc1N\N=C\c2ccccc2,0.0
32126,CO-ADD:0247889,5.8,N1(c2cccc(C)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccn4,0.0
32128,CO-ADD:0252303,5.8,S(=O)(=O)(c1ccc(cc1)NCCCC(O)=O)Nc2ccccc2Cl,0.0
32129,CO-ADD:0247515,5.8,N1(\N=C\c(cc2)ccc2OC)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
32130,CO-ADD:0247446,5.8,C(C=CC=C1)(N1CC2CBr)=N2.Br,0.0
32131,CO-ADD:0249115,5.8,c1(ccc(C(=O)Nc(cccc2C(F)(F)F)c2)o1)C(c3ccccc3)=O,0.0
32132,CO-ADD:0252223,5.8,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3cc(I)cc(I)c3OCc4ccccc4,0.0
32133,CO-ADD:0254757,5.79,c(C#N)(c(\C(\C#N)=C\c(c(cccc1)c1n2Cc3ccccc3)c2)nn4c5ccccc5)c4N,0.0
32134,CO-ADD:0255416,5.79,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3O)=N1,0.0
32135,CO-ADD:0256799,5.79,S1(=O)(=O)c(cccc2)c2C(NCCCOC(CCc3ccccc3)=O)=N1,0.0
32136,CO-ADD:0253778,5.79,n1(c2ccccc2)nnnc1SCC(=O)N3CCCc(cccc4)c34,0.0
32137,CO-ADD:0256704,5.79,c1(c2ccc(cc2OC)OC)[nH]c(c(c(ccc(c34)c(c5C3=O)cccc5)c4)n1)c6ccccc6,0.0
32138,CO-ADD:0253243,5.79,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)C)SC(=NN2c6ccc(cc6)Br)C(OCC)=O,0.0
32139,CO-ADD:0250260,5.79,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(ccc(c4OC)OCc5ccccc5Cl)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32140,CO-ADD:0250551,5.79,N1(c2ccc(cc2)OCC)C(c(cc3)ccc3C(OC)=O)Nc(c4C1=O)cccc4,0.0
32141,CO-ADD:0256756,5.79,C(=C\c(ccc1c2ccc(cc2)Br)o1)(/C3=O)\Sc(c34)cccc4,0.0
32142,CO-ADD:0255471,5.79,N1(CC=C)C(C)(O)C(OC1=O)(C)CC\C=C(/C)\C,0.0
32143,CO-ADD:0256063,5.79,c1(N(CC2)CCO2)nc(N\N=C\c3cc(Br)cc(OC)c3O)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
32144,CO-ADD:0255353,5.79,c12c(nnc(SC(C)C)n1)c3c(cccc3)n2CCC,0.0
32145,CO-ADD:0252381,5.79,N1=C(SCC(=O)Nc2ccc(cn2)Br)NC(C(c3ccccc3)C1=O)=O,0.0
32146,CO-ADD:0253134,5.79,S(=O)(=O)(c1ccc(cc1)\N=C\c(ccc(c2OCC)OCc3cccc(Cl)c3)c2)Nc4ccccn4,0.0
32147,CO-ADD:0253142,5.79,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c(c2c([nH]3)cccc2)c3)F,0.0
32148,CO-ADD:0248098,5.79,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)CN4C(=O)CCC4=O,0.0
32149,CO-ADD:0247995,5.79,N1(c(cc2)ccc2C(=O)OCC(=O)Nc(cccc3C(OC)=O)c3)C(=O)CCC1=O,0.0
32150,CO-ADD:0255178,5.79,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4cccc(cccc5)c45)c3)\N2CC=C,0.0
32151,CO-ADD:0247873,5.79,c1(c2ccccc2Cl)nnc(NC(OCC(C)C)=O)s1,0.0
32152,CO-ADD:0254378,5.79,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c(cccc3[N+](=O)[O-])c3)NC(c4ccccc4)=O,0.0
32153,CO-ADD:0249071,5.79,N(C(=O)\C(\S1)=C/c(cc2)ccc2Cl)=C1N3CCCCCC3,0.0
32154,CO-ADD:0254715,5.79,[C@@]1(C)(CC2)C(C[C@@H](C[N+](=O)[O-])[C@@H]1\C(\C)=N/Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(C24)CC=C(C[C@@H](O)CC5)[C@@]45C,0.0
32155,CO-ADD:0249480,5.79,n1(CCO)c2c(c(cccc3)c13)cccc2,0.0
32156,CO-ADD:0255145,5.79,N1(CC(CC1C(=O)Nc(cc2)ccc2OC)O)C(=O)OCc3ccccc3,0.0
32157,CO-ADD:0252819,5.79,N(CN(CC1)CCN1C(OCC)=O)(N=C(N2c3ccccc3)c4ccc(c(OC)c4)OC)C2=S,0.0
32158,CO-ADD:0254287,5.79,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(=O)N\N=C(/C)\c3cccs3,0.0
32159,CO-ADD:0256115,5.79,c12c(non1)nc(Nc(cc3)ccc3F)c(N\N=C\c(cc4)ccc4N(C)C)n2,0.0
32160,CO-ADD:0250052,5.79,n1(nc(s2)SCc(cc3)ccc3C(OC)=O)c2nnc1SCc(cc4)ccc4C(OC)=O,0.0
32161,CO-ADD:0255292,5.79,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c(cccc2[N+](=O)[O-])c2,0.0
32162,CO-ADD:0256526,5.79,c1([N+](=O)[O-])nc(n(cc(C)n2C)c12)C,0.0
32163,CO-ADD:0256671,5.79,C1(C(OCCC#N)=O)=C(C)NC(NC1c2cc3c(cc2Br)OCO3)=O,0.0
32164,CO-ADD:0250389,5.79,n(\N=C\c(cc1)ccc1OCc2c(cccc2Cl)F)(c3)cnn3,0.0
32165,CO-ADD:0256809,5.79,N1(c2cccc(cccn3)c23)C(=O)c(c4C1=O)ccc(C(O)=O)c4,0.0
32166,CO-ADD:0256803,5.79,n1c(c(cc2)ccc2C(O)=O)[nH]c(c3ccc(cc3)F)c1c4ccccc4,0.0
32167,CO-ADD:0256836,5.79,N1(CCCCCC1=O)C(Cl)C(Cl)(Cl)Cl,0.0
32168,CO-ADD:0256853,5.79,C(=O)(Nc(cccn1)c1)C(=O)Nc(cccn2)c2,0.0
32169,CO-ADD:0256893,5.79,c1(SCc(cc2)ccc2I)sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n1,0.0
32170,CO-ADD:0256742,5.79,c1(nonc1N)N(CC(=O)NC(c2ccccc2)c3ccccc3)N=Nc4nonc4N,0.0
32171,CO-ADD:0252662,5.79,C1(C(Oc(c23)cc(c(C)c2)NCC)=CC(=[N+]([H])CC)C(C)=C1)=C3c4ccccc4C(OCC)=O.C(C(C)C)(=O)[O-],0.0
32172,CO-ADD:0252713,5.79,c1(S2)c(cc(c(O)c1Br)Cl)OC2=O,0.0
32173,CO-ADD:0252624,5.79,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(cc2OC)OC)=O,0.0
32174,CO-ADD:0247530,5.79,N1(\N=C\c2ccc(cc2O)O)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
32175,CO-ADD:0248126,5.79,c1(ON=C(N2)c(cc3)ccc3[N+](=O)[O-])c2c(C)ccc1[N+](=O)[O-],0.0
32176,CO-ADD:0253091,5.79,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
32177,CO-ADD:0252429,5.79,S(=O)(=O)(c1ccc(cc1)\N=C\c2cccc(cccc3)c23)Nc4ccccn4,0.0
32178,CO-ADD:0254758,5.78,c(C#N)(c(\C(\C#N)=C\c(cc1)ccc1F)nn2c3ccccc3)c2N,0.0
32179,CO-ADD:0249043,5.78,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5)C#N,0.0
32180,CO-ADD:0252555,5.78,c1(c(Cl)cc(nc1Cl)C)C(=O)Nc(cc2)ccc2F,0.0
32181,CO-ADD:0249635,5.78,c1(NC(c2ccccc2)=O)n(c3ccccc3)ncc1C(OCC)=O,0.0
32182,CO-ADD:0254672,5.78,c(c1c(n2Cc(cc3)ccc3Cl)cccc1)(c2)C4Nc(ccc(c56)cccc5)c6C(CC(C)(C)CC7=O)=C47,0.0
32183,CO-ADD:0254434,5.78,N1(Cc(ccc(c2Br)OC)c2)\C(=N\N=C\c(ccc(c3OC)O)c3)\SCC1=O,0.0
32184,CO-ADD:0248701,5.78,[H][N@+]12CC[N@+]3([H])CCC[N@+]4([H])CC[N@+]5(CC6=CN(CC(NCC7=CC=CC=C7)=O)N=[N+]6[Zn]5423)CCC1,0.0
32185,CO-ADD:0255456,5.78,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cc3OC)cc(c3OC)OC)c4sc(c5c4C#N)CCCC5,0.0
32186,CO-ADD:0256416,5.78,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4c(cc5)ccc5[N+](=O)[O-],0.0
32187,CO-ADD:0253190,5.78,c1(ccc(cc1O)O)C(=O)N\N=C(/C)\c2ccc(cc2Cl)Cl,0.0
32188,CO-ADD:0255809,5.78,c1(nnc(COc2ccc(cc2Cl)Cl)s1)NC(=O)c(cc3)ccc3C(C)(C)C,0.0
32189,CO-ADD:0253862,5.78,C(C(OCC)=O)(C1c2ccccc2)=C(O)C(N1c(cc3)ccc3[N+](=O)[O-])=O,0.0
32190,CO-ADD:0250064,5.78,S(=O)(=O)(N(c1ccccc1)CC(=O)Nc(ccc(c2C)C)c2)c3ccccc3[N+](=O)[O-],0.0
32191,CO-ADD:0256118,5.78,c1(non2)c2nc(Nc(cc3)ccc3I)c(N\N=C\c(cc4)ccc4N(CC5)CCO5)n1,0.0
32192,CO-ADD:0253768,5.78,N1(CN(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])c(cccc4)c4\C(=N\c(cc5)ccc5CC)\C1=O,0.0
32193,CO-ADD:0256452,5.78,c1(SCC(=O)Nc(ccc(c2s3)nc3SC)c2)sc4c(ccc(N)c4)n1,0.0
32194,CO-ADD:0256356,5.78,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(cc(Br)cc3[N+](=O)[O-])c3O,0.0
32195,CO-ADD:0256380,5.78,n1(CC(=O)N\N=C\c(c(Cl)cc(c2[N+](=O)[O-])Cl)c2)nnnc1N,0.0
32196,CO-ADD:0256152,5.78,N1(c2cccc(Cl)c2)C(=O)\C(\SC1=S)=C/c3ccccc3C(O)=O,0.0
32197,CO-ADD:0253105,5.78,c12c(nnc(SCC(=O)Nc3ccccn3)n1)c4c(cccc4)n2C,0.0
32198,CO-ADD:0252334,5.78,C(OCCC)(=O)N(O)c1ccc(c(Cl)c1)Cl,0.0
32199,CO-ADD:0248229,5.78,C(C#N)(=C(C)C=C(N1\N=C\c2cccc(Cl)c2)C)C1=O,0.0
32200,CO-ADD:0253123,5.78,C(=O)(Nc(ccc(c1C)C)c1)C(NCCCn(ccn2)c2)=O,0.0
32201,CO-ADD:0247338,5.78,C(=C\c(cc1OCC)cc(c1O)I)(/C(=O)c2c3cccc2)\C3=O,0.0
32202,CO-ADD:0248192,5.78,C(F)(F)(F)c(ccc(c1\N=C\c2cccc(Cl)c2O)Oc(cc3)ccc3Cl)c1,0.0
32203,CO-ADD:0252925,5.78,N1(C(=O)c2cccc(Cl)c2)C(O)(c3ccc(cc3)Cl)CC(C(OCC)=O)=N1,0.0
32204,CO-ADD:0254404,5.78,N1(CN(c2ccc(c3c2)cccc3)NC(c4ccccc4)=N1)c5sc(c6n5)cccc6,0.0
32205,CO-ADD:0254876,5.78,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c(cccc4[N+](=O)[O-])c4)\C1=O,0.0
32206,CO-ADD:0254689,5.78,C(/CC(=O)c1cccs1)(=N\NC(=O)c2ccccc2Cl)\C(F)(F)F,0.0
32207,CO-ADD:0249140,5.78,N1(Cc(cccn2)c2)C(=O)C(C(C3c4c5cccc4)C1=O)C5c6c3cccc6,0.0
32208,CO-ADD:0247518,5.78,c1(C#N)c2c(sc1\N=C\c(cc3I)cc(c3OCC=C)I)CCCC2,0.0
32209,CO-ADD:0254588,5.78,C(=S)(c1ccc(c(OCC)c1)O)N2CCCCC2,0.0
32210,CO-ADD:0252832,5.78,N1(c2ccc(cc2)C)C(c3ccc(cc3)OCc4ccccc4)Nc(c5C1=O)cccc5,0.0
32211,CO-ADD:0249992,5.78,c1(NC(CSc2nc(C)cc(C)n2)=O)nnc(CCC)s1,0.0
32212,CO-ADD:0253477,5.78,n1(cnc2c1ncnc2S)C3OC(C(OC(c4ccccc4)=O)C3OC(c5ccccc5)=O)COC(c6ccccc6)=O,0.0
32213,CO-ADD:0253254,5.78,C(=C\c(ccc(c1OC)C)c1)(/C=C(O2)c3ccccc3)\C2=O,0.0
32214,CO-ADD:0253294,5.78,c1(cc(OC)cc(cccn2)c12)NC(COc3ccc(cc3Cl)Cl)=O,0.0
32215,CO-ADD:0253230,5.78,S(N)(=O)(=O)c1ccc(cc1)NC(=O)C(CC)Sc2[nH]c(c3n2)cccc3,0.0
32216,CO-ADD:0255641,5.78,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
32217,CO-ADD:0253414,5.78,c1(C(O)=O)c(C)sc(CO)c1Sc2ccccc2,0.0
32218,CO-ADD:0256709,5.77,c1(SCC)nc(c2n1Cc3cccc(Br)c3)cccc2,0.0
32219,CO-ADD:0253370,5.77,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(ccc(c4[N+](=O)[O-])C)c4,0.0
32220,CO-ADD:0253682,5.77,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4\C(=N\c(cc5)ccc5OCC)\C1=O,0.0
32221,CO-ADD:0255449,5.77,C(C(OCC)=O)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
32222,CO-ADD:0256126,5.77,N1=C(c2ccc(cc2)C)S\C(=C/c(cc3)ccc3OCC(OCC)=O)\C1=O,0.0
32223,CO-ADD:0248084,5.77,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)NCC(N)=O,0.0
32224,CO-ADD:0247941,5.77,S1(=O)(=O)c(cccc2)c2C(N(C)c3ccc(cc3)OC(=O)c4ccccc4Br)=N1,0.0
32225,CO-ADD:0248141,5.77,c12c(nnc(SCC(=O)Nc(ncc3[N+](=O)[O-])s3)n1)c4c(cccc4)n2CC,0.0
32226,CO-ADD:0247573,5.77,s1c(C(C)(C)C)nnc1NC(CCCCCC)=O,0.0
32227,CO-ADD:0254554,5.77,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)S1)=C\c(cc3)ccc3N(C)C,0.0
32228,CO-ADD:0252625,5.77,C(/N(C)C)(=C/N(C)C)\C=C(\C#N)/C#N,0.0
32229,CO-ADD:0252255,5.77,c1(NC(=O)CCNS(=O)(=O)c2ccc(cc2)Cl)sc(c(C)c1C(OCC)=O)C,0.0
32230,CO-ADD:0255158,5.77,C(CC)(NC(=O)OCc1ccccc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F,0.0
32231,CO-ADD:0249361,5.77,c1(ccccc1OCc2ccccc2)C(=O)N\N=C\c(cc3)ccc3N(C)C,0.0
32232,CO-ADD:0247504,5.77,C1(C)(OCCO1)CC(=O)N\N=C\c(ccc(c2OCC)OCC)c2,0.0
32233,CO-ADD:0249317,5.77,C1(c2ccccc2)(CC1(Cl)Cl)C(=O)Nc(cc3)ccc3I,0.0
32234,CO-ADD:0249610,5.77,o1c(SCc(cc2)ccc2OC)nnc1c3ccc(cc3)OC,0.0
32235,CO-ADD:0249340,5.77,C1(Cl)(Cl)C(C1CCC(C2C(=O)Nc(ccc(c3Cl)Cl)c3)C24)CC4,0.0
32236,CO-ADD:0253726,5.77,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc5ccccc5F)c3)n1C,0.0
32237,CO-ADD:0253743,5.77,n1(Cc2ccccc2)c(N\C=C(\C(C)=O)/C(OCC)=O)cc(c3ccccc3)n1,0.0
32238,CO-ADD:0250349,5.77,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)NC(C)c2ccccc2,0.0
32239,CO-ADD:0250168,5.77,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(=O)NCc3ccco3,0.0
32240,CO-ADD:0249966,5.77,C(/C(=O)c1ccc(cc1)Cl)=C(/c2ccc(cc2)Cl)\n(c3)ncn3,0.0
32241,CO-ADD:0256637,5.77,c1(C(O)=O)cc(ccc1C(O)=O)C(=O)Nc(cc2)ccc2C(O)=O,0.0
32242,CO-ADD:0330950,5.77,C1(C#N)=C(COC)C=C(N(CC(=O)Nc(cccc2C(F)(F)F)c2)C1=O)C,0.0
32243,CO-ADD:0248005,5.77,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc4cc(on4)C)n2,0.0
32244,CO-ADD:0248014,5.77,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C/c6c(O)ccc(cccc7)c67)n1,0.0
32245,CO-ADD:0254635,5.77,C1(NC(CSc2sc3c(ccc(c3)\N=C\c(cc4)ccc4I)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
32246,CO-ADD:0254842,5.77,C(/C1)(=C\c2cccc(F)c2)\C(=O)\C(\CN1CCC)=C\c3cccc(F)c3,0.0
32247,CO-ADD:0163583,5.77,C(=N/NC(=O)c1ccc(cc1)Br)(/c(cc(Br)cc2C)c2N3C)\C3=O,0.0
32248,CO-ADD:0284040,5.77,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5)OCc6c(cccc6Cl)F,0.0
32249,CO-ADD:0278896,5.77,N1(c(cccc2C(F)(F)F)c2)C(=O)C3C(C(\C(=C(/C4)\CCC4)\C35)C=C5)C1=O,0.0
32250,CO-ADD:0278920,5.77,n1(nnc(C(OCC)=O)c1CSc(nnc(c23)c4c(cccc4)n2CCC)n3)c5nonc5N,0.0
32251,CO-ADD:0279072,5.77,C(C(=O)OC(C)C)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)F,0.0
32252,CO-ADD:0277482,5.77,N1(CCCCC(=O)Nc2scc(c3ccccc3)n2)C(=O)c(c4C1=O)cccc4,0.0
32253,CO-ADD:0283195,5.77,c(c1ccccc1Cl)([nH]nc2c3ccc(cc3O)C)c2,0.0
32254,CO-ADD:0257840,5.77,C1(C(=O)OC(C)C)=C(C)NC(NC1c2ccccc2OCC)=O,0.0
32255,CO-ADD:0283235,5.77,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c5cccc(C)c5,0.0
32256,CO-ADD:0257250,5.77,c1(C(=O)Oc(cc2)ccc2\C=C(/C#N)\C(OCC)=O)nn(cc1Br)C,0.0
32257,CO-ADD:0257258,5.77,c1(C(=O)NNC(=O)c2ccc(cc2)Br)nn(cc1Br)C,0.0
32258,CO-ADD:0257754,5.77,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4ccccc4C#N)\N2,0.0
32259,CO-ADD:0257219,5.76,c1(C(=O)Nc2sc(c3c2C#N)CCC3)c(Cl)c4c(cccc4)s1,0.0
32260,CO-ADD:0278410,5.76,c(nc(c1ccco1)cc2C(F)(F)F)(c3Br)n2nc3C(=O)N4CCCCC4,0.0
32261,CO-ADD:0283723,5.76,c1(C=O)cc(ccc1O)N=Nc2ccccc2,0.0
32262,CO-ADD:0283515,5.76,C(/C#N)(\C(OCC)=O)=C(/O)\c1ccc(cc1)NC(=O)c2ccccc2Cl,0.0
32263,CO-ADD:0283573,5.76,n(Cc(cc1)ccc1Br)(c2c(c3C=O)cccc2)c3,0.0
32264,CO-ADD:0278285,5.76,N1(c2cccc(Cl)c2Cl)C(=O)\C(=C\c(cc(n3c4ccc(cc4)Cl)C)c3C)\C(NC1=S)=O,0.0
32265,CO-ADD:0259797,5.76,C(=O)(Nc(cc1)ccc1OCC)C(NCCN(CC2)CCO2)=O,0.0
32266,CO-ADD:0259366,5.76,C(C#N)(=C(N)OC(=C12)CCCC1=O)C2c3ccco3,0.0
32267,CO-ADD:0277817,5.76,N1(C2c3cccs3)C(S\C(=C\c(cc4Br)cc(c4O)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32268,CO-ADD:0284227,5.76,c1(nn(cc1[N+](=O)[O-])C)C(=O)n2cc(cn2)Br,0.0
32269,CO-ADD:0283606,5.76,c1(cc(oc1C)C)C(=O)Nc2cccc(OC(C)C)c2,0.0
32270,CO-ADD:0163247,5.76,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(Cl)c5,0.0
32271,CO-ADD:0247783,5.76,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
32272,CO-ADD:0247796,5.76,P(=O)(Nc1ccccc1)(Nc2ccccc2)\C=C(/Cl)\c3ccccc3,0.0
32273,CO-ADD:0249156,5.76,C(COc(ccc(c1C)Br)c1)(=O)Nc2cccc(F)c2,0.0
32274,CO-ADD:0249683,5.76,S(c1ccccc1)(=O)(=O)N2CCC(CC2)C(=O)OCC(c3ccccc3)=O,0.0
32275,CO-ADD:0249427,5.76,C(C(OC)=O)(C1c(cccn2)c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
32276,CO-ADD:0254573,5.76,c1(ccccc1OCC)C(=O)N\N=C\c(cccc2OCc3cccc(Br)c3)c2,0.0
32277,CO-ADD:0327495,5.76,c1(C(OCC)=O)c2c(oc1CN3CCCCC3C)ccc(OC)c2.Cl,0.0
32278,CO-ADD:0163105,5.76,c(C(=O)Nc1ccccc1)(sc(c23)nc(cc2C(F)(F)F)C)c3N,0.0
32279,CO-ADD:0327452,5.76,[nH]1c2c(nc1SCc3[nH]c(c4n3)cccc4)cccn2,0.0
32280,CO-ADD:0283020,5.76,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c(ccc(c2OCC)OCc(cc3)ccc3F)c2,0.0
32281,CO-ADD:0284125,5.76,c1(C(=O)c2ccc(cc2)Cl)oc(c3c1NC(C)=O)cccc3,0.0
32282,CO-ADD:0279189,5.76,c1(SCC(=O)Nc2ccccc2C(F)(F)F)sc3c(ccc(N)c3)n1,0.0
32283,CO-ADD:0278942,5.76,C1(=S)N(c2cccc(Cl)c2)C3(\C(=N\c4ccccc4)\N1)CCCCC3,0.0
32284,CO-ADD:0278991,5.76,n(c1C)(nnc1C(=O)NNC(=O)c2nn(cc2Br)C)c3nonc3N,0.0
32285,CO-ADD:0279136,5.76,N1(CNc2ccc(cc2C)C)c3c(OC1=S)cccc3,0.0
32286,CO-ADD:0258473,5.76,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)\C(\SC1=S)=C\C=C\c3ccccc3,0.0
32287,CO-ADD:0257216,5.76,c12n(ncn1N)c(nn2)SCC(=O)c3cccs3,0.0
32288,CO-ADD:0257232,5.76,C1(c2ccccc2Cl)=N\C(\C(=O)O1)=C/c3ccccc3OC(=O)c4ccc(cc4)Cl,0.0
32289,CO-ADD:0258381,5.76,C1(NC(CSc2sc3c(ccc(c3)NC(c4ccccc4)=O)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
32290,CO-ADD:0278604,5.76,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(ccs3)c3)c4sc(c5c4C(OC)=O)CCCCC5,0.0
32291,CO-ADD:0278612,5.76,N12C(S\C(=C\c(ccc3c(cc4)ccc4C(O)=O)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)c(cc5Br)OC,0.0
32292,CO-ADD:0278325,5.76,N1(Cc2ccccc2)C(c(cc3)ccc3[N+](=O)[O-])Nc(c4C1=O)cccc4,0.0
32293,CO-ADD:0283520,5.76,n1(C)c(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)NC4CCCCC4)c2)nnc1c5ccccc5,0.0
32294,CO-ADD:0258838,5.76,C1(\C(\C)=N\NC(=O)c2ccn(C)n2)=C(O)c3c(cccc3)C1=O,0.0
32295,CO-ADD:0258879,5.76,c1(c(C)non1)N(CC(=O)Nc2c(C)cccc2C)N=Nc3c(C)non3,0.0
32296,CO-ADD:0258695,5.76,c1(SCC(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(C)=O)n1,0.0
32297,CO-ADD:0248910,5.76,[N+](=O)([O-])c(cc(Oc(cc1)ccc1CCC(=O)NCc2ccco2)cc3[N+](=O)[O-])c3,0.0
32298,CO-ADD:0252805,5.76,C(=C/c1ccco1)(/C(=O)N2CC)\C(=O)N(C2=S)CC,0.0
32299,CO-ADD:0249611,5.75,N1(c2c(C)ccc(Cl)c2)C(=O)c(c(c3)C1=O)cc(c3C(N4c5c(C)ccc(Cl)c5)=O)C4=O,0.0
32300,CO-ADD:0254412,5.75,C(c(cc1)ccn1)(=O)Nc(cc2)ccc2c(cc3)ccc3NC(c(cc4)ccn4)=O,0.0
32301,CO-ADD:0254325,5.75,c1(SCc(cc2)ccc2SCC(NCCc3ccccc3)=O)sc4c(ccc(c4)NC(=O)c5ccc(cc5)OCCCCCCCCCC)n1,0.0
32302,CO-ADD:0254578,5.75,C1(=Cc(ccc(c2)OC)c2OC1=O)C(=O)Nc(cccc3C(O)=O)c3,0.0
32303,CO-ADD:0163074,5.75,S(c1ccccc1)(=O)(=O)N(c2c(OC)ccc(OC)c2)CC(=O)N(CC3)CCN3C(=O)CN(c4c(OC)ccc(OC)c4)S(c5ccccc5)(=O)=O,0.0
32304,CO-ADD:0163523,5.75,c1(\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c(C)cc(cc1O)O,0.0
32305,CO-ADD:0279168,5.75,c1(c2c(cccc2)c(c34)cccc3)c4nc(ccc5C(O)=O)c(c5)n1,0.0
32306,CO-ADD:0283385,5.75,c(CC(NC(OCc1ccccc1)=O)C(=O)NC2CCCCCC2)(c3c([nH]4)cccc3)c4,0.0
32307,CO-ADD:0283951,5.75,c12c(n(c(OCC=C)n1)C)C(N(C)C(=O)N2C)=O,0.0
32308,CO-ADD:0257452,5.75,n12c(S\C(=C/c(ccc(c3OC)OC)c3)\C1=O)nnc2c4ccccc4,0.0
32309,CO-ADD:0278598,5.75,[N+](=O)([O-])c1c(O)ccc(c1)C(NC(c2ccccc2)=O)NC(c3ccccc3)=O,0.0
32310,CO-ADD:0278807,5.75,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(ccc(c3OC)O)c3)\C1=O)C,0.0
32311,CO-ADD:0278464,5.75,n1c(c2ccc(cc2)C)csc1\C(\C#N)=N\Nc(cc3)ccc3[N+](=O)[O-],0.0
32312,CO-ADD:0278528,5.75,c1(C(=O)OCc2ccccc2)c(C)c(c(COC(C)=O)[nH]1)CCC(OC)=O,0.0
32313,CO-ADD:0283027,5.75,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cccc3[N+](=O)[O-])c3)c4sc(c5c4C(OC)=O)CCCC5,0.0
32314,CO-ADD:0284027,5.75,n(Cc1ccccc1F)(c2c(c3\C=C(/SC(N4)=N)\C4=O)cccc2)c3,0.0
32315,CO-ADD:0258729,5.75,C1(SC(C(=O)N1c2ccc(cc2)OCC)C)(c3c(N4CN(CC5)CCO5)cccc3)C4=O,0.0
32316,CO-ADD:0258929,5.75,[C@]12(C(C)=O)[C@H](N1C(C)=O)CC(C(C34)CC=C(C[C@@H](O)CC5)[C@@]35C)[C@]2(C)CC4,0.0
32317,CO-ADD:0258684,5.75,c1(OC(=O)C=C2C)c2ccc(OC(C)C(OCC)=O)c1C(C)=O,0.0
32318,CO-ADD:0258908,5.75,n1(c2ccccc2)c(COc3ccccc3)nnc1SCc(cc4)ccc4OC,0.0
32319,CO-ADD:0258916,5.75,c12c(cccn1)cccc2SCCN(CC3)CCO3,0.0
32320,CO-ADD:0278005,5.75,n1(CC=C)c(SCC(=O)c2cccc(cccc3)c23)nnc1c4ccc(cc4)OC,0.0
32321,CO-ADD:0163630,5.75,c1(c(C)cccc1C)OCC(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
32322,CO-ADD:0163070,5.75,C(=N)(N1CCCCC1)\C(\C#N)=N\Nc2cccc(OCCCC)c2,0.0
32323,CO-ADD:0248139,5.75,c12c(nnc(SCC(=O)Nc(ncc3[N+](=O)[O-])s3)n1)c4c(cccc4)n2C,0.0
32324,CO-ADD:0247634,5.75,C(NCCN(CC)CC)(=O)c1ccc(cc1)NC(=O)CCCl.Cl,0.0
32325,CO-ADD:0254796,5.75,C(=O)(C(c1ccccc1)c2ccccc2)NCc3ccccn3,0.0
32326,CO-ADD:0248057,5.75,N(C(=O)\C(\S1)=C/c(ccc(c2OCC)O)c2)=C1N(CC3)CCO3,0.0
32327,CO-ADD:0248012,5.75,N1(CSc(nnc(c23)c4c(cccc4)n2CC)n3)C(=O)c5c(cccc5)C1=O,0.0
32328,CO-ADD:0249570,5.75,N1(c2ccc(c3c2)cccc3)C(c(cccc4[N+](=O)[O-])c4)Nc(c5C1=O)cccc5,0.0
32329,CO-ADD:0252667,5.75,n1c(c2ccccc2)c3c(nc1c(cc4)ccc4[N+](=O)[O-])cccc3,0.0
32330,CO-ADD:0254396,5.75,C1(C(=O)OC(=N2)c3ccccc3)=C2c4c(cccc4)CC15CCCCC5,0.0
32331,CO-ADD:0254847,5.75,N12C(S\C(=C\c3ccccc3Cl)\C1=O)=C(C(c4ccccc4Cl)C(C#N)=C2N)C(OC)=O,0.0
32332,CO-ADD:0247764,5.75,c1(ncnc(N\N=C\c(cc2)ccc2OCCCCC)c1)N3CCCCC3,0.0
32333,CO-ADD:0254955,5.75,C(/C1)(=C/c2ccc(cc2Cl)Cl)\C(=O)\C(\CN1Cc3ccccc3)=C/c4ccc(cc4Cl)Cl,0.0
32334,CO-ADD:0254878,5.75,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc4c5ccccc5Cl)o4)\C1=O,0.0
32335,CO-ADD:0283441,5.75,C(=O)(Nc1cccc(c1)NCc(ccc(c23)OCO2)c3)c4ccccc4Cl,0.0
32336,CO-ADD:0283449,5.75,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc(cc3C)c4c(n3)cccc4,0.0
32337,CO-ADD:0283473,5.75,[N+](=O)([O-])c1ccc(c(O)c1)Cl,0.0
32338,CO-ADD:0283777,5.75,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c3cc(sc3OC)SC)NC(c4ccccc4)=O,0.0
32339,CO-ADD:0283474,5.75,c1(\C(\CCC2)=N\O)c2non1,0.0
32340,CO-ADD:0283324,5.75,N12C(S\C(=C/c(ccc3c(cccc4C(O)=O)c4)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)c(cc5Br)OC,0.0
32341,CO-ADD:0257764,5.75,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4ccccc4C#N)c3)\N2,0.0
32342,CO-ADD:0278843,5.75,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)Br)\N2CCCO.Br,0.0
32343,CO-ADD:0278875,5.75,c(c1c(C)cc2NCCOC(CC)=O)(c(c3c(C4=O)cccc3)on1)c24,0.0
32344,CO-ADD:0277468,5.75,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c(cc3)ccc3[N+](=O)[O-])\N2CCc(ccc(c4OC)OC)c4.Br,0.0
32345,CO-ADD:0277446,5.75,N1(C(c(cc2)ccn2)=O)C(O)(c3ccc(cc3)F)CC(C(F)(F)F)=N1,0.0
32346,CO-ADD:0278413,5.75,c(nc(c1ccco1)cc2C(F)(F)F)(c3Br)n2nc3C(=O)N(CC4)CCO4,0.0
32347,CO-ADD:0278523,5.75,C(/Sc(c12)ccc(Cl)c1)(\N2CC)=C(\C(=O)N=C3N(c4ccccc4)c5ccccc5)/S3.[Na+],0.0
32348,CO-ADD:0278520,5.75,c12c(nnc(SCC(=O)Nc3sc4c(ccc(OC)c4)n3)n1)c5c(cccc5)n2Cc6ccccc6,0.0
32349,CO-ADD:0278759,5.75,c1(nonc1N)\C(\N)=N/OC(=O)c(ccc(c2Cl)Cl)c2,0.0
32350,CO-ADD:0278607,5.75,C1(C(OCCSC)=O)=C(C)NC(NC1c2cc3c(cc2Br)OCO3)=O,0.0
32351,CO-ADD:0284087,5.74,N(=O)N(CCc(cc1)ccn1)c2ccc(cc2)OCc3ccccc3,0.0
32352,CO-ADD:0284127,5.74,[nH](c(cccc1)c1c2SCC(O)=O)c2,0.0
32353,CO-ADD:0278143,5.74,N1=C(SCC(=O)OC2CC(C)CCC2C(C)C)NC(C(c3ccccc3)C1=O)=O,0.0
32354,CO-ADD:0277904,5.74,c12c(nnc(SCCC)n1)c3c(cccc3)n2Cc4ccccc4,0.0
32355,CO-ADD:0277697,5.74,C1(=O)Oc2c(C(C)=C1CCCC)ccc(c2)OC(CC)C(OCC)=O,0.0
32356,CO-ADD:0277986,5.74,c1(NC(CC)=O)nnc(COc(cc2)ccc2C(C)(C)C)s1,0.0
32357,CO-ADD:0277890,5.74,C1(C)(C(C)(CCC1C(C)=C)OC2=O)N2CCOC=O,0.0
32358,CO-ADD:0277938,5.74,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc(ccc(c23)cccc2)c3,0.0
32359,CO-ADD:0248282,5.74,c1(c2ccccc2O)cc(c3ccc(cc3)Br)nc(N\N=C\c(cc4)ccc4Br)n1,0.0
32360,CO-ADD:0249235,5.74,N1(c2ccc(c(Cl)c2)C)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
32361,CO-ADD:0249452,5.74,c12c(c3c(NC(c4cccc(OC)c4)O1)cccc3)nnc(SCC)n2,0.0
32362,CO-ADD:0249270,5.74,S(NCCCCCCC(O)=O)(c1ccccc1)(=O)=O,0.0
32363,CO-ADD:0249243,5.74,N1\C(=N/N=C/c(cc2)ccc2F)\SC(CC(O)=O)C1=O,0.0
32364,CO-ADD:0249776,5.74,N1c(ccc(c2)C(O)=O)c2C3C(CC=C3)C1c4ccc(cc4)Cl,0.0
32365,CO-ADD:0249438,5.74,c1(C#N)c2c(sc1\N=C\c3cccc(CC=C)c3O)CC(C)CC2,0.0
32366,CO-ADD:0252376,5.74,N1(c(cc2)ccc2C(O)=O)C=CC(C=C1)=O,0.0
32367,CO-ADD:0249077,5.74,s1c(c2ccc(cc2)Br)nnc1NC(=O)c3ccco3,0.0
32368,CO-ADD:0248958,5.74,N1(c(cc2)ccc2C3(c(cc4)ccc4N5C(=O)c(c6C5=O)ccc(c6)C7=Nc(c8C(=O)O7)cccc8)c9c(cccc9)C(c(cccc%10)c3%10)=O)C(=O)c(c%11C1=O)ccc(c%11)C%12=Nc(c%13C(=O)O%12)cccc%13,0.0
32369,CO-ADD:0248955,5.74,N1(C(=O)c(c2C1=O)ccc(c2)C3=Nc(c4C(=O)O3)cccc4)c5sc(c6n5)cccc6,0.0
32370,CO-ADD:0254904,5.74,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc(c4[N+](=O)[O-])Br)c4,0.0
32371,CO-ADD:0279163,5.74,C(C(OCCOC)=O)(C1c2ccc(cc2)F)=C(C)NC(CC(c3ccc(cc3)OC)CC4=O)=C14,0.0
32372,CO-ADD:0279171,5.74,C(CCC(OC(C)C)=O)(=O)Nc(cc1)ccc1OCC,0.0
32373,CO-ADD:0284868,5.74,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCCCC2)C(=O)N(CC4)CCN4C,0.0
32374,CO-ADD:0279142,5.74,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc3c4cc(Cl)ccc4Cl)o3)\N2,0.0
32375,CO-ADD:0283351,5.74,C1(=O)Nc(c2N1C(C)=C)cccc2,0.0
32376,CO-ADD:0278359,5.74,c(cc1)ccc1N(C(COc2ccccc2)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5)C3=S,0.0
32377,CO-ADD:0284758,5.74,c(Nc1ccc(cc1OC)OC)(nc(Cl)nc2Nc(cc3)ccc3I)n2,0.0
32378,CO-ADD:0284894,5.74,c1(ccccc1NC(=O)c(cccc2NC(=O)c3ccc(cc3)OCCC)c2)C(O)=O,0.0
32379,CO-ADD:0259923,5.74,C1(C(OCCSC)=O)=C(C)NC(=O)NC1c2ccc(cc2)C,0.0
32380,CO-ADD:0257186,5.74,C(F)(F)(F)COC(CCC(=O)Nc(cc1)ccc1OC)=O,0.0
32381,CO-ADD:0257210,5.74,n1c(c2ccc(c(C)c2)C)csc1Nc(cc3)ccc3Oc4ccccc4.Br,0.0
32382,CO-ADD:0279160,5.74,c1(c2c(cccc2)c(c34)cccc3)c4nc(ccc5C(c6ccccc6)=O)c(c5)n1,0.0
32383,CO-ADD:0284129,5.74,N1(C2c3ccccc3)C(S\C(=C\c(cc4OC)cc(c4OC)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32384,CO-ADD:0279129,5.74,S(=O)(=O)(c1ccc(cc1)Br)Nc2c(C)cc(c(Cl)c2C)O,0.0
32385,CO-ADD:0283354,5.74,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C)c1CSc3ccccc3,0.0
32386,CO-ADD:0277379,5.74,c(c(c1c(C2=O)cccc1)on3)(c2ccc4C(=O)OC(C)C)c34,0.0
32387,CO-ADD:0260032,5.74,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c(cc5)ccc5C6CCCCC6)n4.Br,0.0
32388,CO-ADD:0277348,5.74,c1(c2ccco2)nnc(c(cc3)ccc3[N+](=O)[O-])o1,0.0
32389,CO-ADD:0258286,5.74,n(c1c2ccc(Oc(cc3)ccc3N)c1)c(c(cc4)ccc4c5ccccc5)c(n2)c(cc6)ccc6c7ccccc7,0.0
32390,CO-ADD:0258936,5.74,N1(c2cccc(C)c2C)C(CSc3sc(c4n3)cccc4)=Nc(c5C1=O)cccc5,0.0
32391,CO-ADD:0258944,5.74,N1(Cc2ccccc2)C(=O)C(NC1=S)CCSC,0.0
32392,CO-ADD:0249221,5.74,c1(OC)c(OC)cc(cc1OC)\C=N\c(cc2)ccc2Nc3ccccc3,0.0
32393,CO-ADD:0249739,5.74,S(=O)(=O)(N\N=C\c1c(OC)ccc(cccc2)c12)c(ccc(c3[N+](=O)[O-])C)c3,0.0
32394,CO-ADD:0249280,5.74,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c4cc(I)ccc4O)n1,0.0
32395,CO-ADD:0247989,5.73,c1(SCCc(cc2)ccn2)c(F)c(F)c(c(F)c1F)F,0.0
32396,CO-ADD:0252915,5.73,C(=C/c(ccc1c(c(C)ccc2[N+](=O)[O-])c2)o1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
32397,CO-ADD:0163677,5.73,c1(cc(Br)ccc1O)C(=O)N\N=C\c(ccc2c3ccc(cc3)Br)o2,0.0
32398,CO-ADD:0284918,5.73,C(C(c1ccccc1)=O)(C2c3cccc(F)c3)=C(O)C(N2c(cccn4)c4)=O,0.0
32399,CO-ADD:0163117,5.73,N1(\N=C\c(ccc2Sc3cccc(cccn4)c34)o2)C(C)=Nc(c5C1=O)cccc5,0.0
32400,CO-ADD:0284847,5.73,c1(NC(=O)c2nn(cc2Cl)C)sc(c3c1C(OC)=O)CCCC3,0.0
32401,CO-ADD:0257226,5.73,C(=C/c(cc1)ccc1OCC=C)(/C2=O)\C(c3ccccc3)=NO2,0.0
32402,CO-ADD:0257242,5.73,N12C(S\C(=C\c(cc3OC)cc(c3OC)Br)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)ccc4OC,0.0
32403,CO-ADD:0284317,5.73,C1(C2=O)C(C(N2c3ccc(cc3)Cl)=O)N(N=C1C(OCC)=O)c4ccc(cc4)Br,0.0
32404,CO-ADD:0258856,5.73,c1(ccc(cc1Cl)NC(C)=O)Oc(cc2)ccc2Cl,0.0
32405,CO-ADD:0259240,5.73,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2cccc(F)c2,0.0
32406,CO-ADD:0257212,5.73,n1c(c2ccc(cc2)CC(C)C)csc1Nc(cc3)ccc3Oc4ccccc4.Br,0.0
32407,CO-ADD:0278746,5.73,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3SCCCC)=N1,0.0
32408,CO-ADD:0278211,5.73,C(/C#N)(=C/c1ccccc1O)\C(=O)Nc(cc2)ccc2C,0.0
32409,CO-ADD:0278291,5.73,C(=N\c(cc1)ccc1F)(/SC(C2=O)CC(=O)Nc3cccc(C)c3)\N2C,0.0
32410,CO-ADD:0278323,5.73,c1(ccc(CSc2nc(C)cc(n2)C(F)(F)F)o1)C(=O)NNC(=O)c3ccccc3C,0.0
32411,CO-ADD:0278771,5.73,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(CSc4sc(c5n4)cccc5)=O)n1,0.0
32412,CO-ADD:0277621,5.73,N1(c2ccc(c(Cl)c2)Cl)C(c(cc3)ccc3N(C)C)N(N=C1C(C)=O)c4ccccc4,0.0
32413,CO-ADD:0258768,5.73,c12c(CCCC1=O)c3c(ccc(OC)c3)[nH]2,0.0
32414,CO-ADD:0259489,5.73,C(=N\c(ccc(c12)cccc1)c2)(/S\C(\C3=O)=C\c(cc4)ccc4N(C)C)\N3,0.0
32415,CO-ADD:0259497,5.73,c1(C#N)c2c(sc1NCSCc3ccccc3)CCCCC2,0.0
32416,CO-ADD:0259337,5.73,c12n(ccc(C)c1)cc(c3ccc(c(O)c3)O)n2.Cl,0.0
32417,CO-ADD:0260129,5.73,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)NC(C3)(C4)CC(CC4CC35)C5,0.0
32418,CO-ADD:0277707,5.73,C(/Sc(c12)ccc(OC)c1)(\N2C)=C(\C(=O)N=C3N(c4ccccc4)c5ccccc5)/S3,0.0
32419,CO-ADD:0249344,5.73,n1(CC=C)c(SCC(=O)Nc2ccccc2F)nnc1c3ccc(cc3)OC,0.0
32420,CO-ADD:0249424,5.73,N1(c2cccc(Cl)c2C)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(C(C)(C)C)s4,0.0
32421,CO-ADD:0248041,5.73,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N3CCSC3c(cccc4[N+](=O)[O-])c4,0.0
32422,CO-ADD:0248034,5.73,C1(=Cc2c(OC1=O)ccc(OC)c2)c3csc(Nc(cc4)ccc4OC)n3,0.0
32423,CO-ADD:0137563,5.73,O=C(NCCC(N)=N)C1=CC(NC(C2=CC(NC=O)=CN2C)=O)=CN1C.OC(C(F)(F)F)=O,0.0
32424,CO-ADD:0137560,5.73,O=C(NCCC(N)=N)C1=CC(NC(C2=CC(NC(C3=CC=CC(OC)=C3)=N)=CN2C)=O)=CN1C.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
32425,CO-ADD:0284767,5.73,C1(=NC2=O)C(=Cc(cccc3)c3N1c4ccc(cc4)OCC)C(N2C)=O,0.0
32426,CO-ADD:0284832,5.73,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)Cc4cccc(cccc5)c45)n1,0.0
32427,CO-ADD:0284680,5.73,[N+](=O)([O-])c1ccc(cc1)NC(=O)CC(=O)Nc(cc2)ccc2[N+](=O)[O-],0.0
32428,CO-ADD:0283929,5.73,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(NCCOc2ccccc2OC)=O,0.0
32429,CO-ADD:0284705,5.73,C(C#N)(C(c(ccs1)c1)C2=C(N3c4ccccc4C)CC(C)(C)CC2=O)=C3N,0.0
32430,CO-ADD:0278816,5.73,C(=O)(Nc(cc1)ccc1C(=O)Nc2ccccc2C(O)=O)c3c(cccc3OC)OC,0.0
32431,CO-ADD:0284591,5.73,C1(C#N)(CC(N2)(O)C(C3C1(C#N)C#N)CCCC3)C2=O,0.0
32432,CO-ADD:0257750,5.73,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(cc4)ccc4C)\C1=O,0.0
32433,CO-ADD:0258379,5.72,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)\N=C\c4c5c(cccc5)cc(cccc6)c46)n1,0.0
32434,CO-ADD:0283825,5.72,S(=O)(=O)(c(ccc(c1C(=O)Nc2nnc(COc(cc3)ccc3Cl)s2)Cl)c1)N(CC4)CCO4,0.0
32435,CO-ADD:0283849,5.72,N(\C(=C/c(cc1)ccc1OC(=O)c2ccc(cc2)OC)\C(O3)=O)=C3c4ccc(cc4)F,0.0
32436,CO-ADD:0284401,5.72,C(=O)(c1ccc(cc1)C)N(CC2)CCN2c3ccccc3OC,0.0
32437,CO-ADD:0277653,5.72,c1(nnc(C)s1)NC(=O)C(CC)OC(=O)C(CC(C)C)NC(c2ccccc2)=O,0.0
32438,CO-ADD:0277493,5.72,n1(Cc2ccccc2Cl)c3c(nc1SCC(N)=O)cccc3,0.0
32439,CO-ADD:0277557,5.72,C1(=S)NC2(NN1c3ccc(cc3)C)CCCCCC2,0.0
32440,CO-ADD:0277980,5.72,c1(NC(CSc(nnc(c23)c4c(cccc4)n2CC)n3)=O)n(c5ccccc5)ncc1C(OCC)=O,0.0
32441,CO-ADD:0278036,5.72,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(cc4OC)cc(c4OCc(ccc(c5Cl)Cl)c5)OC,0.0
32442,CO-ADD:0278070,5.72,C1(C(=O)[O-])(CC1)P(=O)([O-])[O-],0.0
32443,CO-ADD:0278006,5.72,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c(cc4Br)cc(c4O)Br)n1,0.0
32444,CO-ADD:0277519,5.72,C(=C/c(ccc(c12)OCO1)c2)(/C3=O)\C(c(cccc4[N+](=O)[O-])c4)=NO3,0.0
32445,CO-ADD:0277815,5.72,N12C(S\C(=C\c(ccc(c3)N(CC)CC)c3OC)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
32446,CO-ADD:0247788,5.72,S(NCCCOC(=O)Nc(cc1)ccn1)(=O)(=O)c2ccc(cc2)C,0.0
32447,CO-ADD:0248009,5.72,c12c(c3c(cccc3)[nH]1)nnc(N\N=C(/CC4)\CCN4Cc5ccccc5)n2,0.0
32448,CO-ADD:0254585,5.72,C1(C(=O)OC2CCCCC2)=Cc(cc(Br)cc3Br)c3OC1=O,0.0
32449,CO-ADD:0284876,5.72,N1C(CSC(CC(=O)Nc(cc2)ccc2Cl)C1=O)C(OCC)=O,0.0
32450,CO-ADD:0258578,5.72,N1(c2cccc(cccc3)c23)C(=O)CC(N(CC4)CCN4C(c5ccccc5)c6ccccc6)C1=O,0.0
32451,CO-ADD:0258363,5.72,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
32452,CO-ADD:0284875,5.72,N1C(CSC(CC(=O)Nc(cc2)ccc2F)C1=O)C(OCC)=O,0.0
32453,CO-ADD:0284803,5.72,P(c1ccccc1)(c2ccccc2)(=O)CCc(cc3)ccn3,0.0
32454,CO-ADD:0277708,5.72,C(OCC(CC)(C1)CO1)(C(OCC)=O)(C(F)(F)F)NC(=O)c2ccc(cc2)OC,0.0
32455,CO-ADD:0277766,5.72,c1(C(OCC)=O)c2c(oc1CN(C)C)ccc(O)c2,0.0
32456,CO-ADD:0277895,5.72,N1(CCC(CC1C)=O)C(c2ccccc2)=O,0.0
32457,CO-ADD:0277735,5.72,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(cc3)ccc3NC(C)=O,0.0
32458,CO-ADD:0277927,5.72,C(O)(c1ccc(cc1)NC(=O)Nc2ccccc2)(C(OC)=O)C(F)(F)F,0.0
32459,CO-ADD:0277943,5.72,C(=O)(c1ccc(cc1)OCC)NCC(OCC)=O,0.0
32460,CO-ADD:0284593,5.72,c12c(nnc(SCC(N3)=C(C(CCCCC(OCC)=O)=O)NC3=O)n1)c4c(cccc4)n2CCC,0.0
32461,CO-ADD:0283866,5.72,C12=C(CC(c3ccc(cc3)OC)CC1=O)NC(C)=C(C#N)C2c4ccc(c5c4)OCO5,0.0
32462,CO-ADD:0284602,5.72,N1(C(C)=O)c2c(\C(=N\NC(N)=S)\C1=O)cc(Br)cc2,0.0
32463,CO-ADD:0278575,5.72,N1(c(ccc(c2s3)nc3SCC(=O)Nc4ccc(cc4[N+](=O)[O-])OC)c2)C(=O)c5c(cccc5)C1=O,0.0
32464,CO-ADD:0278217,5.72,S1(=O)(=O)c(cccc2)c2C(NCC(C)(C)CNC(=O)c3ccccc3Br)=N1,0.0
32465,CO-ADD:0277303,5.72,c1(c2cc(OC)ccc2O)cc([nH]n1)c3ccc(cc3)Cl,0.0
32466,CO-ADD:0277359,5.72,C(/C#N)(=C/c(ccc1c2cccc(Cl)c2Cl)o1)\C(=O)Nc(ccc(c3C)C)c3,0.0
32467,CO-ADD:0277663,5.72,c1(scc(c2ccc(cc2)Br)n1)NC(COC(CSC(c3ccccc3)=O)=O)=O,0.0
32468,CO-ADD:0277495,5.72,n1c(SCc2ccccc2)nc(cc1OC(C(Cl)(Cl)Cl)NC(=O)C(C)(C)C)C,0.0
32469,CO-ADD:0260125,5.72,n1(c2c(nc1SC)cccc2)Cc3c(C)ccc(cccc4)c34,0.0
32470,CO-ADD:0259613,5.71,C(S(C)(=O)=O)(C(c1ccc(cc1)C)N(C2=O)c3ccccc3)=C2O,0.0
32471,CO-ADD:0260205,5.71,C(=C\c(cc(OC)c(c1)OCC)c1Br)(/C(=O)NC(N2)=O)\C2=O,0.0
32472,CO-ADD:0259262,5.71,S(=O)(=O)(N(CC1)CCN1c2ccccc2OC)c3ccccc3[N+](=O)[O-],0.0
32473,CO-ADD:0259286,5.71,C1(CN(CCCC)CCCC)=C(C(O)=O)NC(=O)NC1=O,0.0
32474,CO-ADD:0259342,5.71,c1(Sc(cc2)ncc2[N+](=O)[O-])nnc(c3ccc(c(OC)c3)OC)n1c4ccccc4,0.0
32475,CO-ADD:0137584,5.71,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC(C=CC=C4)=C4N=C3)=O)C=C1C(NC5=CN(C)C(C(NCCN(C)C)=O)=C5)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
32478,CO-ADD:0247779,5.71,c1(c(C)cc(cc1O)O)\C=N\c2ccc(cc2O)C,0.0
32479,CO-ADD:0247423,5.71,c1(c2ccc(cc2)\N=C\c3cc(OC)c(cc3[N+](=O)[O-])OC)sc4c(ccc(C)c4)n1,0.0
32480,CO-ADD:0255050,5.71,c1(C#N)c(COC)cc(nc1OCC(OCC)=O)C,0.0
32481,CO-ADD:0248933,5.71,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2OC)cc(c2OC)OC)n3c(c4c(cc3)cccc4)c1S(CCC)(=O)=O,0.0
32482,CO-ADD:0254377,5.71,c1(C(=O)N\N=C\C=C\c(ccc2[N+](=O)[O-])o2)c(C)[nH]c(C(OCC)=O)c1C,0.0
32483,CO-ADD:0284701,5.71,c(cn(n1)Cc2c(cccc2Cl)Cl)(\C=C(\C#N)/C(OCC)=O)c1c3ccccc3,0.0
32484,CO-ADD:0284334,5.71,C(=O)(Nc1ccc(cc1Cl)Cl)c2cccnc2Oc(cc3)ccc3Cl,0.0
32485,CO-ADD:0284342,5.71,c1(C(N)=O)c(C)c(Cl)c(nc1Oc(cc2)ccc2Cl)C,0.0
32486,CO-ADD:0284630,5.71,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C\c(ccc(c3Cn(c(C)c(c4[N+](=O)[O-])Br)n4)OC)c3)c5nonc5N,0.0
32487,CO-ADD:0283791,5.71,n1(c(ccc2C(F)(F)F)nnc1c(cc3)ccc3C(F)(F)F)c2,0.0
32488,CO-ADD:0283839,5.71,c1(SCc2ccc(cc2C)C)sc3c(ccc(c3)\N=C\c(cc4)ccc4Br)n1,0.0
32489,CO-ADD:0277497,5.71,N1=C2N(C=CC=C2C)C(C(C=O)=C1Nc(cc3)ccc3SC(F)F)=O,0.0
32490,CO-ADD:0277865,5.71,C12=C(c3c(cccc3)CC14CCCC4)N=C(N(C)C2=O)SCCc5ccccc5,0.0
32491,CO-ADD:0277755,5.71,N1(C=Nc(c2C1=O)cccc2)\N=C(/SCC=C)\N(CC)CC,0.0
32492,CO-ADD:0277947,5.71,N12C(S\C(=C\c(cc3OCC)cc(c3O)I)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)ccc4OC,0.0
32493,CO-ADD:0278116,5.71,c1(c2ccc(cc2Cl)Cl)nnc(SC(C)C(=O)NC(c3ccccc3)c4ccccc4)o1,0.0
32494,CO-ADD:0259800,5.71,C1(C(OCCCCCCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OC)=O,0.0
32495,CO-ADD:0278378,5.71,c12c(nnc(SCC(=O)Nc3sccn3)n1)c(c4n2C(C)C)cccc4,0.0
32496,CO-ADD:0277404,5.71,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4OC)cc(c4O)Cl)\C1=O,0.0
32497,CO-ADD:0278844,5.71,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(c(F)c3)OC)\N2CCC.Br,0.0
32498,CO-ADD:0278706,5.71,c1(c(F)c(F)cc(F)c1F)NC(=O)c2ccn(C)n2,0.0
32499,CO-ADD:0278380,5.71,c1(\C=N\OC(C)=O)cc(Br)ccc1OC,0.0
32500,CO-ADD:0277535,5.71,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
32501,CO-ADD:0277847,5.71,c(C(OCCCC)=O)(cc1c2ccccc2)c3c(n1)ccc(Br)c3,0.0
32502,CO-ADD:0283105,5.7,n1c(c2ccco2)[nH]c(c3ccccc3)c1c(ccc(c45)oc(ccc6c([nH]c(n7)c8ccco8)c7c9ccccc9)c4c6)c5,0.0
32503,CO-ADD:0278779,5.7,n12c(S\C(=C/c(ccc(c3OC)OC)c3)\C1=O)nc(c4ccccc4)c2c5ccccc5,0.0
32504,CO-ADD:0278742,5.7,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3S(=O)(=O)N4CCCC4)=N1,0.0
32505,CO-ADD:0278566,5.7,C12(c3c(cccc3)C(=NN1c4ccccc4)c5cc(C)ccc5C)SC(=NN2c6cccc(Cl)c6C)C(C)=O,0.0
32506,CO-ADD:0259568,5.7,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c(cc2)ccc2C(c3ccccc3)=O,0.0
32507,CO-ADD:0259592,5.7,N1(C(c2ccc(cc2)Cl)CC(c3ccc(cc3)C)=N1)C(=N)SC(CC(N4c(cc5)ccc5C(O)=O)=O)C4=O,0.0
32508,CO-ADD:0259465,5.7,N(c1ccc(cn1)Br)(C2c3ccc(cc3)OC)C(=O)C(=C2C(=O)c4ccc(cc4)Cl)O,0.0
32509,CO-ADD:0259281,5.7,n1(nnc(C(=O)N\N=C\c2ccccc2Cl)c1CSc3oc(c4n3)cccc4)c5nonc5N,0.0
32510,CO-ADD:0254413,5.7,n1(c2cc(C)ccc2OC(=O)c3ccccc3Cl)nc4c(cccc4)n1,0.0
32511,CO-ADD:0252287,5.7,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(cc4)ccc4Br)\C1=O,0.0
32512,CO-ADD:0248934,5.7,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCS3)C1=O,0.0
32513,CO-ADD:0252658,5.7,N(CC(C)C)(C(c1ccccc1)=O)\C(\Cl)=C\N(CC(C)C)C(c2ccccc2)=O,0.0
32514,CO-ADD:0327594,5.7,c(C(=O)NC(N1)c2ccccc2Cl)(sc3c4c(COC)cc(C)n3)c14,0.0
32515,CO-ADD:0258478,5.7,c(c(C)c(s1)C)(C2=O)c1N=C(SCc3ccccc3)N2c4ccccc4,0.0
32516,CO-ADD:0258606,5.7,C(=O)(N\N=C\C1CCCCC1)c(ccc(c2Cl)Cl)c2,0.0
32517,CO-ADD:0258542,5.7,C(c1ccccc1F)(NC2=S)=C(C#N)C(N2)=O,0.0
32518,CO-ADD:0259121,5.7,c(C(=O)c(cc1)ccc1[N+](=O)[O-])(sc(c23)nc(c(CC)c2C)C)c3N,0.0
32519,CO-ADD:0258585,5.7,C1(=NC(O)=CC2=O)N2N=C(CC(C)C)S1,0.0
32520,CO-ADD:0283600,5.7,c1(ccc(cc1Cl)NC(=O)c2cccs2)C(OCCN(CC)CC)=O.Cl,0.0
32521,CO-ADD:0259808,5.7,C1(C(=O)OCc(cc2)ccc2C)=C(C)NC(NC1c3ccccc3OCc4ccccc4)=O,0.0
32522,CO-ADD:0277725,5.7,N1(c2ccc(cc2)OCC)C(=O)NC(\C(=C\c(cc3OC)cc(c3O)Br)\C1=O)=O,0.0
32523,CO-ADD:0277733,5.7,C(C(OCC)=O)(=CN(CC)c1c2cc(cc1)Br)C2=O,0.0
32524,CO-ADD:0277749,5.7,n1(C(=O)c2ccccc2I)c(C)c(c(C)n1)Br,0.0
32525,CO-ADD:0278094,5.7,C(=N/c1ccccc1)(/SC=C2c(cc3)ccc3C4CCCCC4)\N2CCc(cc5)ccc5S(N)(=O)=O.Br,0.0
32526,CO-ADD:0278837,5.7,N(C(=O)c(cc1)ccc1NC(=O)c2ccccc2c3ccccc3C(O)=O)c4sccn4,0.0
32527,CO-ADD:0278401,5.7,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(NCCCn(ccn4)c4)=O)c1Br,0.0
32528,CO-ADD:0278651,5.7,c1(SCC(=O)Nc(ccc(c2Cl)C)c2)sc3c(ccc(N)c3)n1,0.0
32529,CO-ADD:0283516,5.7,N1C(C)(C)CC(CC1(C)C)OC(=O)CC#N,0.0
32530,CO-ADD:0283421,5.7,N1(CC=C)C(=O)\C(\SC1=S)=C/c2ccccc2OCc(cc3)ccc3F,0.0
32531,CO-ADD:0284544,5.7,N1(N=C(CC1(O)c(cccn2)c2)C)C(=O)c(cccn3)c3,0.0
32532,CO-ADD:0284263,5.7,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(=O)c3ccc(c(Cl)c3)Cl)F,0.0
32533,CO-ADD:0259483,5.7,c12c(c(ccc1)CC3)c3ccc2C(N)=O,0.0
32534,CO-ADD:0259507,5.7,C(=O)(c1ccc(cc1)Br)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3OCC,0.0
32535,CO-ADD:0259517,5.7,N1(CCc2ccc(cc2Cl)Cl)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
32536,CO-ADD:0331770,5.7,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(OCCSCC)=O,0.0
32537,CO-ADD:0249483,5.7,c1(ccccc1I)C(=O)N\N=C\c2cc(Br)ccc2O,0.0
32538,CO-ADD:0249475,5.7,[N+](=O)([O-])c1cccc(c1)\C=N\c(cc2)ccc2I,0.0
32539,CO-ADD:0255055,5.7,C(\C=C\c1ccccc1)(C(C(C)=O)C(=O)CC2(C)O)C2C(C)=O,0.0
32540,CO-ADD:0248877,5.7,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c2ccc(cc2Cl)Cl)F,0.0
32541,CO-ADD:0328075,5.7,S(=O)(=O)(c1ccc(c(OC)c1)Cl)NC(c2ccccc2Cl)CC(OCC)=O,0.0
32542,CO-ADD:0328345,5.7,n1(c2c(C)cc(cc2C)C)nnnc1SCC(=O)N3c4c(C(CN(C)CC5)C35)cc(C)cc4,0.0
32543,CO-ADD:0284200,5.7,S(c1ccccc1)(=O)(=O)N2CCC(CC2)C(=O)N\N=C\c(cc3)ccc3F,0.0
32544,CO-ADD:0283232,5.7,C1(C(C)=O)=C(Nc(cc2)ccc2Br)CC(C)(O)C(C(C)=O)C1c3ccc(cc3)OC,0.0
32545,CO-ADD:0259100,5.7,S(c1ccccc1)(=O)(=O)N(CC(=O)NCC(OC)=O)c2ccc(cc2C)C,0.0
32546,CO-ADD:0283290,5.7,C1(CC1)NC(CCC(OC(C)C)=O)=O,0.0
32547,CO-ADD:0284587,5.7,C(=N/c(cc1)ccc1Cl)(/SC=C2c3ccc(c(F)c3)OC)\N2CCCO.Br,0.0
32548,CO-ADD:0284364,5.7,C1(C#N)(C#N)N(N(C)C)C(=O)CC(C)C1(C#N)C#N,0.0
32549,CO-ADD:0260195,5.7,c(CC(NC(OCC(C)C)=O)C(=O)Nc1ccccc1C)(c2c([nH]3)cccc2)c3,0.0
32550,CO-ADD:0259516,5.7,C(/C#N)(=C/c(ccc(c1OCC)O)c1)\C(=O)Nc2ccc(cc2C)C,0.0
32551,CO-ADD:0260148,5.7,[N+](=O)([O-])c1ccccc1c2ccc(\C=N\NC(=O)c3cccc(O)c3)o2,0.0
32552,CO-ADD:0277514,5.69,C(=O)(NC(C)C)C(NCCCN(CC1)CCO1)=O,0.0
32553,CO-ADD:0260030,5.69,N1(c2ccsc2Cl)C(=O)c(c3C1=O)ccc(C(OC)=O)c3,0.0
32554,CO-ADD:0259934,5.69,N(\C(=N/c1ccccc1)\C2(N3c4ccc(cc4)OC)CCCCC2)=C3SC.I,0.0
32555,CO-ADD:0283431,5.69,C(=C\c1ccccc1OCc(cc2)ccc2F)(/C(=O)NC(N3)=S)\C3=O,0.0
32556,CO-ADD:0283759,5.69,c12n(CC=C(c3ccccc3)N1)ncn2,0.0
32557,CO-ADD:0283543,5.69,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4ccc(c(OC)c4)OC(C)=O,0.0
32558,CO-ADD:0278937,5.69,n12c(S\C(=C/c(cc3)ccc3C(C)(C)C)\C1=O)nnc2c4ccccc4,0.0
32559,CO-ADD:0277507,5.69,c12c(n(c(SCc3cccc(Br)c3)n1)C)C(N(C)C(=O)N2C)=O,0.0
32560,CO-ADD:0277614,5.69,c1(c(cc(OC)c(OC)c1)C(O2)=O)C2C(Cl)(Cl)Cl,0.0
32561,CO-ADD:0277342,5.69,N1(c2ccccc2)C(C(SC1=S)(C)C)\[N+](\[O-])=C\c(cc3)ccc3S(NC)(=O)=O,0.0
32562,CO-ADD:0259526,5.69,N1=C(NC(C)=O)S\C(=C\c(cc2)ccc2C)\C1=O,0.0
32563,CO-ADD:0248888,5.69,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c4ccc5c(c(ccc6)CC5)c46)C2,0.0
32564,CO-ADD:0254343,5.69,n(nnn1)(C(c2c(cccc2)CC34CCCCC3)=C4C(N5Cc6ccccc6)=O)c15,0.0
32565,CO-ADD:0254752,5.69,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(=O)c(cccn3)c3,0.0
32566,CO-ADD:0283845,5.69,c1(cc(ccc1N(C)C)\C=N\NC(N)=N)[N+](=O)[O-],0.0
32567,CO-ADD:0284373,5.69,S(c1ccccc1)(=O)(=O)Oc(cc2)ccc2\C=N\Nc3scc(c4ccc(cc4)Br)n3,0.0
32568,CO-ADD:0284320,5.69,C12(c3c(cccc3)C(=NN1c4ccccc4)c5cc(C)ccc5C)SC(=NN2c6cccc(Cl)c6)C(C)=O,0.0
32569,CO-ADD:0284344,5.69,c1(C(OCC)=O)c(Cl)c(N)c(nc1Cl)Cl,0.0
32570,CO-ADD:0283293,5.69,N1(c2ccc(cc2)OCC)C(=O)CC(N(Cc(cc3)ccc3Cl)C(=O)c4ccc(cc4)Cl)C1=O,0.0
32571,CO-ADD:0284190,5.69,C(/c1c(N2)cccc1)(=N\c3cc(C)ccc3C)\C2=O,0.0
32572,CO-ADD:0259807,5.69,C1(C(OCCCl)=O)=C(C)NC(NC1c2ccccc2OC(C)C)=O,0.0
32573,CO-ADD:0260031,5.69,n1(C(=O)c2ccco2)c(C)c(c(C)n1)Br,0.0
32574,CO-ADD:0259809,5.69,C1(C(OCCCCCCC)=O)=C(C)NC(NC1c2cccc(c2)OCc3ccccc3)=O,0.0
32575,CO-ADD:0258488,5.69,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(c(Cl)ccc3[N+](=O)[O-])c3Cl,0.0
32576,CO-ADD:0259133,5.69,S(=O)(=O)(c1ccc(cc1)Cl)c2ccc(c(Cl)c2)Cl,0.0
32577,CO-ADD:0278702,5.69,N(c1c2cccc1)=C(C(Cl)Cl)CC(=N2)c3ccc(cc3)C,0.0
32578,CO-ADD:0278718,5.69,N12C(S\C(=C\c(ccc3c4ccc(cc4[N+](=O)[O-])Cl)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5ccc(c(cccc6)c56)OC,0.0
32579,CO-ADD:0284400,5.69,c1(nnc(CCc2ccccc2)s1)NC(=O)c(ccc(c3Cl)Cl)c3,0.0
32580,CO-ADD:0284624,5.69,c(C(=O)c(cc1)ccc1C(=O)c(sc(c23)nc(cc2C(F)(F)F)C)c3N)(sc(c45)nc(cc4C(F)(F)F)C)c5N,0.0
32581,CO-ADD:0284323,5.69,N1(CCc(cn[nH]2)c12)c3c(C)cccc3C,0.0
32582,CO-ADD:0259795,5.69,C(=O)(c1cccc(C)c1)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3F,0.0
32583,CO-ADD:0259404,5.69,c1(N(CC2)CCO2)nc(N\N=C\c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3)nc(Nc(cccc4C(F)(F)F)c4)n1,0.0
32584,CO-ADD:0259428,5.69,c1(N2CCC(CC2)C)nc(OC)nc(NCc3ccco3)n1,0.0
32585,CO-ADD:0260084,5.69,C1(C(C)=O)=C(C)NC(=NC1c2c(OC)ccc(cccc3)c23)SCc(cc4)ccc4F.Cl,0.0
32586,CO-ADD:0249696,5.69,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C(/C)\c2ccc(cc2)OC)c3ccccc3[N+](=O)[O-],0.0
32587,CO-ADD:0249468,5.69,S(=O)(=O)(Nc(cc1)ccc1C(C)=O)c(cccc2S(c3ccccc3)(=O)=O)c2,0.0
32588,CO-ADD:0252491,5.69,N(CCc(c12)c3c(cccc3)[nH]1)(C2c(ccc(c45)OCO4)c5)C(=O)c6cccc(F)c6F,0.0
32589,CO-ADD:0252430,5.69,c1(c(ccc(c1)C(F)(F)F)N\N=C\c2ccccc2[N+](=O)[O-])[N+](=O)[O-],0.0
32590,CO-ADD:0249247,5.69,c1(NC(CC)=O)sc2c(CCCC2=O)c1C(OCC)=O,0.0
32591,CO-ADD:0249217,5.69,C(/CC(=O)c1cccs1)(=N\NC(=O)c(cccn2)c2)\C(F)(F)F,0.0
32592,CO-ADD:0137612,5.69,O=C(NC1=CN(C)C(C(NC2=CN(C)C(C(NCCCN(C)C)=O)=C2)=O)=C1)C3=CC=C(/C=C/C4=CC(OC)=CC=C4)C=C3.OC(C(F)(F)F)=O,0.0
32593,CO-ADD:0163655,5.69,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2c(C)cccc2C)=O)O)c1,0.0
32594,CO-ADD:0163663,5.69,C(OCCF)(=O)Nc(ccc(c1Cl)Cl)c1,0.0
32595,CO-ADD:0284462,5.68,N(c1ccccc1)(C(c2ccc(cc2)Cl)C=C3Nc4ccccc4)C3=O,0.0
32596,CO-ADD:0283270,5.68,S(=O)(=O)([O-])c1ccc(c2n1)cccc2O.[Na+],0.0
32597,CO-ADD:0258649,5.68,c(C(=O)c1ccc(cc1)Br)(sc(c23)nc(c(C)c2C)C)c3N,0.0
32598,CO-ADD:0259058,5.68,C(=N)(N(CC1)CCO1)\C(\C#N)=N\Nc2cccc(F)c2,0.0
32599,CO-ADD:0257422,5.68,N1C(=O)\C(\SC1=S)=C/c(cc2I)cc(c2OCC=C)I,0.0
32600,CO-ADD:0257503,5.68,N1(c2ccc(cc2)F)C(=O)C(CC1=O)NCC(OCC)=O,0.0
32601,CO-ADD:0257767,5.68,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(ccc(c3OCC)OCc4ccccc4)c3)\N2,0.0
32602,CO-ADD:0257775,5.68,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(ccc(c3)N(CC)CC)c3OC)\N2,0.0
32603,CO-ADD:0284419,5.68,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c(ccc2c3c(OC)ccc(c3)[N+](=O)[O-])o2)F,0.0
32604,CO-ADD:0283822,5.68,N1(C(OC)=O)c2c([C@]([H])(CN(C)CC3)[C@]13[H])cc(C)cc2.Cl,0.0
32605,CO-ADD:0284598,5.68,c12c(nnc(SCC(OCC)=O)n1)c3c(cccc3)n2CCC,0.0
32606,CO-ADD:0283181,5.68,[N+](=O)([O-])c1ccc(c(c1)\N=C\c(ccc(c23)OCO2)c3)C,0.0
32607,CO-ADD:0283097,5.68,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(=O)c4ccccc4F)n1,0.0
32608,CO-ADD:0283194,5.68,C1(O)(c2c(N(C)C1=O)cccc2)C3CCc(c4C3=O)cc(c(C)c4)OC,0.0
32609,CO-ADD:0279145,5.68,C1(NCCN1)(CC(=O)c2cccc(cccc3)c23)C(F)(F)F,0.0
32610,CO-ADD:0279185,5.68,C12(c3c(cccc3)C(=NN1c4ccccc4)c(cc5)ccc5C(C)C)SC(=NN2c6ccccc6)C(OCC)=O,0.0
32611,CO-ADD:0284090,5.68,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCBr)c1C,0.0
32612,CO-ADD:0278556,5.68,N(CCN1C(=O)c2ccc(cc2)C)(C(c3ccccc3)=O)C1c(cc4)ccc4N(C)C,0.0
32613,CO-ADD:0278293,5.68,N12C(S\C(=C/c3c(OCC)ccc(cccc4)c34)\C1=O)=NC(C)=C(C(OCC)=O)C2c5c(OC)ccc(cccc6)c56,0.0
32614,CO-ADD:0258826,5.68,c1(C#N)c(C)c(C)c(nc1SCC(O)=O)C,0.0
32615,CO-ADD:0249457,5.68,C(=O)(N\N=C\c(cccc1OCc2cccc(Br)c2)c1)C(C)Oc3cccc(Cl)c3,0.0
32616,CO-ADD:0252979,5.68,N1(C(=O)c2ccc(cc2)Br)N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
32617,CO-ADD:0254590,5.68,N1(CCCCC1)C(=O)COc(cc2)ccc2\C=N\NC(CSCc3ccccc3Cl)=O,0.0
32618,CO-ADD:0252796,5.68,N1(CN(C2CC2)CN3C(=O)c4c(cccc4)C3=O)C(=O)c5c(cccc5)C1=O,0.0
32619,CO-ADD:0254813,5.68,C1(C#N)(C#N)[C@@H](c2ccc(cc2)SC)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)c5ccc(cc5)OC,0.0
32620,CO-ADD:0254785,5.68,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\NC(CSCc3ccccc3)=O,0.0
32621,CO-ADD:0328624,5.68,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2F)NC3=C1C(=O)NC(N3Cc4ccccc4)=O,0.0
32622,CO-ADD:0328935,5.68,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)N3c4c(C(CN(C)CC5)C35)cc(C)cc4)n2)Cc(ccc(c6OCC)OCC)c6,0.0
32623,CO-ADD:0163040,5.68,N1(C=C(Br)C(NC1=O)=O)C2OC(C(O)C2O)CO,0.0
32624,CO-ADD:0283286,5.68,N1(C(=O)CCC1=O)c2c(Cl)ccc(c2)NC(=O)c3ccc(c4c3O)cccc4,0.0
32625,CO-ADD:0163585,5.68,C(C(NCC=C)=O)C(=O)N\N=C\c1cccc(OC)c1,0.0
32626,CO-ADD:0283639,5.68,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Cl)c4sc(c5c4C(OC)=O)CCCCC5,0.0
32627,CO-ADD:0163073,5.68,S(c1ccccc1)(=O)(=O)N(c2c(OC)ccc(OC)c2)CC(=O)N(CC3)CCO3,0.0
32628,CO-ADD:0284223,5.68,n1(C(=O)c2cccc(Br)c2)c(C)c(c(C)n1)Br,0.0
32629,CO-ADD:0283601,5.67,N1(CCCC1C(=O)OCc2ccccc2)C(=O)c3cccs3,0.0
32630,CO-ADD:0163673,5.67,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)C(=O)Nc2cc(C)ccc2C,0.0
32631,CO-ADD:0257440,5.67,n1(c2ccccc2C)nnnc1c(cc3)ccc3c4nnnn4c5ccccc5C,0.0
32632,CO-ADD:0258475,5.67,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C\c(ccc3c(cc4)ccc4C(O)=O)o3,0.0
32633,CO-ADD:0257393,5.67,c(cc1[N+](=O)[O-])ccc1c2ccc(\C=N/Nc3nnc(C)n3N)o2.Cl.Cl,0.0
32634,CO-ADD:0257443,5.67,N1(C2CCCCC2)C(=O)\C(\SC1=S)=C/c(ccc3c(ccc(c4[N+](=O)[O-])Cl)c4)o3,0.0
32635,CO-ADD:0283058,5.67,C(=O)(Nc(cc1)ccc1C)C(NCCc2ccccc2)=O,0.0
32636,CO-ADD:0283074,5.67,N1(c2cccc(c2)[N+](=O)[O-])C(=O)\C(\C=C1c3ccccc3)=C\c(ccc4c(cc5)ccc5C(OCC)=O)o4,0.0
32637,CO-ADD:0283700,5.67,c12c(cccn1)cccc2[S-].[Na+],0.0
32638,CO-ADD:0278675,5.67,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c(cc3)ccc3C4CCCCC4)\N2CCCO.Br,0.0
32639,CO-ADD:0283565,5.67,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)NC4CCCCC4)c2)sc5c(ccc(OCC)c5)n1,0.0
32640,CO-ADD:0258909,5.67,C(F)(F)(F)c(ccc(c1Oc2ccc(cc2C)Cl)NC(=O)c(cccn3)c3)c1,0.0
32641,CO-ADD:0163566,5.67,c1(\C=N\NC(COc2c(C)cccc2C)=O)cc(I)ccc1O,0.0
32642,CO-ADD:0163614,5.67,N(=C(/C)\c1ccc(cc1)CC)/NC(COc2ccc(cc2Br)OC)=O,0.0
32643,CO-ADD:0252535,5.67,N(c1ccccc1F)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
32644,CO-ADD:0254729,5.67,c1(NC(=O)c2cccs2)sc(c(C)c1C(OCC)=O)C(=O)Nc3cccc(Cl)c3,0.0
32645,CO-ADD:0249014,5.67,C(=O)(NC(CC1(C)C)CC(N1)(C)C)C(=O)Nc(cc2)ccc2CCCC,0.0
32646,CO-ADD:0249773,5.67,C(=C\c1ccccc1OC(C)C)(/C2=O)\C(=O)NC(=O)N2,0.0
32647,CO-ADD:0249008,5.67,n1c(c2ccccc2)c[nH]c1SC(c3ccccc3)c4ccccc4,0.0
32648,CO-ADD:0249410,5.67,C(C#N)(C(c(ccs1)c1)C2=C(N3c4ccc(cn4)Br)CC(C)(C)CC2=O)=C3N,0.0
32649,CO-ADD:0284233,5.67,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4[N+](=O)[O-])O)c4)\C1=O,0.0
32650,CO-ADD:0284481,5.67,N1(c(cc2)c(OC1=O)cc2S(N)(=O)=O)S(=O)(=O)c3ccc(cc3)C,0.0
32651,CO-ADD:0279041,5.67,n1c(N)c(C#N)cc(C#N)c1SCC(=O)Nc(cc2)ccc2NC(CSc3c(C#N)cc(c(N)n3)C#N)=O.Cl.Cl,0.0
32652,CO-ADD:0284611,5.67,S(=O)(=O)(c1ccc(cc1Br)Br)N2CCN=C2C,0.0
32653,CO-ADD:0283796,5.67,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)Nc4ccc(cc4F)F)c1Br,0.0
32654,CO-ADD:0284052,5.67,c1(nnc(SCc2ccc(cc2Cl)Cl)s1)NC(=O)C(C)(C)C,0.0
32655,CO-ADD:0257534,5.67,N1(C(=O)c2cccc(Br)c2)N=C(CC1(O)C(F)(F)F)C(F)(F)F,0.0
32656,CO-ADD:0257766,5.67,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4ccccc4C#N)c3)\N2,0.0
32657,CO-ADD:0257560,5.67,C1(N(CC2)CCN2C(c3ccccc3)c4ccccc4)=CC(OC15CCCCC5)=O,0.0
32658,CO-ADD:0283702,5.67,C(/C(/C)=N\O)=C\c1ccccc1,0.0
32659,CO-ADD:0283518,5.67,N1(CN2CCCCC2CC)N=C(OC1=S)c3ccc(cc3)C,0.0
32660,CO-ADD:0283503,5.67,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(ccc(c5OC)OCc(ccc(c6Cl)Cl)c6)c5)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
32661,CO-ADD:0283736,5.67,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)NCc(cc4)ccc4OC)c1Br,0.0
32662,CO-ADD:0259949,5.66,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c(ccc(c4Cl)Cl)c4)n1,0.0
32663,CO-ADD:0260061,5.66,c1(nc(Nc(cccc2C(F)(F)F)c2)c(n3)Nc(cccc4C(F)(F)F)c4)c3non1,0.0
32664,CO-ADD:0277331,5.66,C(=N/c1ccccc1)(/SC=C2c(cc3)ccc3C4CCCCC4)\N2CCc5ccccc5.Br,0.0
32665,CO-ADD:0259815,5.66,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c3ccc(c(OC)c3)OCc4ccccc4)=O,0.0
32666,CO-ADD:0249413,5.66,c1(C#N)c2c(sc1\N=C\c3cccc(OC)c3OCc4ccc(cc4Cl)Cl)CCCC2,0.0
32667,CO-ADD:0252810,5.66,N1(c2ccc(c3c2)cccc3)C(c4ccc(cc4)OCC)Nc(c5C1=O)cccc5,0.0
32668,CO-ADD:0249723,5.66,C(=O)(N\N=C\c(ccc(c1O)O)c1)c2cccc(F)c2,0.0
32669,CO-ADD:0254995,5.66,n1(c2ccccc2)c(COc(cc3)ccc3C4CCCCC4)nnc1SCC(=O)Nc5ccccc5,0.0
32670,CO-ADD:0247773,5.66,C(/Nc1ccccc1)(\NNC(c2ccccc2)=O)=C(/c3ccccc3)\c4ccccc4,0.0
32671,CO-ADD:0252963,5.66,c1(C2=O)c(sc(CC(CC)CC3)c13)N=C(SCC(=O)NCc4ccco4)N2c5ccccc5,0.0
32672,CO-ADD:0278508,5.66,n1c(c2ccc(cc2C)C)csc1\C(\C#N)=N\Nc3ccccc3,0.0
32673,CO-ADD:0278477,5.66,c1(OC(N)=C(C2c3ccco3)C#N)c2c(n[nH]1)CCC,0.0
32674,CO-ADD:0283167,5.66,C(C(OCCSCC)=O)(C1c2ccc(cc2)O)=C(C)NC(CCCC3=O)=C13,0.0
32675,CO-ADD:0283055,5.66,C(c1ccccc1)(=O)N\N=C\c(ccc(c2OC)OCc3cccc(cccc4)c34)c2,0.0
32676,CO-ADD:0284047,5.66,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cccc3C(F)(F)F)c3)\N2Cc(cc4)ccc4Cl)N5CCCC5.Br,0.0
32677,CO-ADD:0283136,5.66,C(CC(CC1(C)C)=O)(Nc(cccc2C(OC)=O)c2)=C1,0.0
32678,CO-ADD:0294395,5.66,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c(C)c4C(OCC)=O)C(OCC)=O)c1Cl,0.0
32679,CO-ADD:0294808,5.66,C(c(cc1)ccn1)(=O)N(C)C(CC2(C)C)CC(N2)(C)C.Cl.Cl,0.0
32680,CO-ADD:0295217,5.66,n1(c2ccccc2)c3c(cn1)ccc(c3)[N+](=O)[O-],0.0
32681,CO-ADD:0294090,5.66,c1(NC(=O)c2ccccc2Cl)sc(c3c1C(OC)=O)CCCCC3,0.0
32682,CO-ADD:0292773,5.66,n1c(SCC(=O)Nc(cc2)ccc2O)c3c(c(C)n1)cccc3,0.0
32683,CO-ADD:0295776,5.66,c1(NC(CSc2nnc(C)s2)=O)sc(c3c1C#N)CCCC3,0.0
32684,CO-ADD:0293346,5.66,C(C#N)(C1Cc2ccccc2)=C(SCC)NC(CCCC3=O)=C13,0.0
32685,CO-ADD:0292242,5.66,N1\C(=N\c(cc2)ccc2C)\C(\SC1=O)=C\c3ccccc3Cl,0.0
32686,CO-ADD:0295107,5.66,C(c1ccccc1)(c2ccccc2)(c3c(cccc3)N=C4c(cccc5[N+](=O)[O-])c5)O4,0.0
32687,CO-ADD:0293402,5.66,N1=C(Nc2nc(ccc(c3)OCC)c3c(C)n2)NC(C)=C(C)C1=O,0.0
32688,CO-ADD:0292633,5.66,C(C(=O)c1ccc(cc1)Br)(C2c3ccc(c(OC)c3)OC)=C(O)C(N2c4cccc(c4)C(O)=O)=O,0.0
32689,CO-ADD:0295815,5.66,N1(CCC(c2ccccc2)c3ccccc3)C(=O)CC(N(CC4)CCC4C(N)=O)C1=O,0.0
32690,CO-ADD:0293566,5.66,S(=O)(=O)(c1ccc(cc1)C)Oc2ccc(cc2OC)\C=C(/C3=O)\Sc(c34)cccc4,0.0
32691,CO-ADD:0294507,5.66,N(c1ccccc1)(C(c(ccc(c23)OCO2)c3)C=C4Nc5ccccc5)C4=O,0.0
32692,CO-ADD:0292384,5.66,c1(c(N)nc(c23)CCC(C(C)(C)C)C2)c3c4c(OC1=O)cccc4,0.0
32693,CO-ADD:0295731,5.66,N1(c2c(CC1C)cccc2)C(=O)c3c(cccc3Cl)Cl,0.0
32694,CO-ADD:0294137,5.66,S(=O)(=O)(c1ccc(cc1)Cl)NC(c2ccccc2)C(Cl)c3ccccc3,0.0
32695,CO-ADD:0258509,5.66,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc6c(cc5Cl)OCO6,0.0
32697,CO-ADD:0258693,5.66,c1(SCC(=O)Nc(cc2)ccc2C(C)C)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
32698,CO-ADD:0259707,5.66,N1(C2c3ccc(cc3)OC)C(S\C(=C\c4cc(Cl)ccc4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32699,CO-ADD:0284938,5.66,C(=S)(Nc1ccccc1)NNC(COc(ccc(c2C)C)c2)=O,0.0
32700,CO-ADD:0258680,5.66,N1(CC(CC1C(=O)Nc(cc2)ccc2F)O)C(=O)OC(C)(C)C,0.0
32701,CO-ADD:0283238,5.65,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-],0.0
32702,CO-ADD:0260152,5.65,S(C)(=O)(=O)N(Cc(cc1)ccc1C(=O)N\N=C(/C)\c2ccc(cc2)OCC)c3ccc(c(C)c3)C,0.0
32703,CO-ADD:0290856,5.65,N1(c2cccc(C)c2)C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(\CCCC5)/C5,0.0
32704,CO-ADD:0286573,5.65,N1(c(cccc2C(=O)N\N=C\c3ccco3)c2)Cc4c(cccc4)C1,0.0
32705,CO-ADD:0291064,5.65,S(=O)(=O)(NCc(cccn1)c1)c2c(OC)ccc(Cl)c2,0.0
32706,CO-ADD:0287459,5.65,C(C#N)(C(c(ccs1)c1)C2=C(N3c4ccccc4C#N)CCCC2=O)=C3N,0.0
32707,CO-ADD:0289224,5.65,C(=O)(OC(C)(C)C)NNC(CCCN1Cc2ccccc2)C1,0.0
32708,CO-ADD:0289266,5.65,c1(CN(c2ccccc2)C(=O)c3ccc(cc3)F)nn(c(CCN4)c1C4)C.Cl,0.0
32709,CO-ADD:0288511,5.65,c1(C(CCN2)C2)ncc(C)n1C(C)C.Cl.Cl,0.0
32710,CO-ADD:0285705,5.65,C(/SC=C1c2ccc(cc2)CC)(=N\c3c(OC)cc(c(OC)c3)Cl)\N1C.Br,0.0
32711,CO-ADD:0289034,5.65,c(nn1)(sc1C(=O)Nc(ccc(c2)F)c2)C(=O)OCC,0.0
32712,CO-ADD:0300011,5.65,n1(c(cccc2C)c2n3)c3S\C(=C/c(cc4)ccc4F)\C1=O,0.0
32713,CO-ADD:0287530,5.65,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C\c(ccc(c3OCC)O)c3,0.0
32714,CO-ADD:0287458,5.65,C(c1ccc(cc1C)C)(O2)=C\C(\C2=O)=N\Nc(cccc3C(F)(F)F)c3,0.0
32715,CO-ADD:0287596,5.65,c1(C(=O)C(c2ccccc2)c3ccccc3)cc(c(c4ccccc4)s1)c5ccccc5,0.0
32716,CO-ADD:0287845,5.65,n1c(c2ccc(cc2)OCc3ccccc3)[nH]c(c4ccccc4)c1c(cc5)ccc5C(c6ccccc6)=O,0.0
32717,CO-ADD:0287729,5.65,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3[N+](=O)[O-])=N1,0.0
32718,CO-ADD:0287522,5.65,C1(C#N)(C(c2ccccc2)C3Br)C(=O)NC3(CC1(C#N)C#N)O,0.0
32719,CO-ADD:0287716,5.65,C(=O)(N1CCCC1)c2cc(Br)cc(Br)c2,0.0
32720,CO-ADD:0286217,5.65,[nH]1c(SCC(OCC(=O)Nc(cc2)ccc2C)=O)nnc1c3ccccc3,0.0
32721,CO-ADD:0291583,5.65,C1(=Cc2c(OC1=O)ccc(cccc3)c23)c4scc(c5ccc(cc5)OC)n4,0.0
32722,CO-ADD:0292145,5.65,C(C(c1ccccc1)=O)(C2c(cc3)ccc3C(C)C)=C(O)C(N2CCCCCC)=O,0.0
32723,CO-ADD:0290569,5.65,S(Cc(cc(C)c(c1)C)c1CS2)C2c3ccc(cc3)OC,0.0
32724,CO-ADD:0299684,5.65,C1(NCCCCCC(O)=O)=NC(Cc(cc(OC)c(OC)c2)c12)(C)C,0.0
32725,CO-ADD:0299158,5.65,s1c(C)nnc1SCC(=O)Nc2ccc(cn2)Br,0.0
32726,CO-ADD:0290579,5.65,c1(O)c(cc(cc1C(C)(C)C)CNNC(NCCc2ccccc2)=S)C(C)(C)C,0.0
32727,CO-ADD:0291248,5.65,C(/NC(=O)c(ccs1)c1)(=C\c2cccs2)\C(=O)Nc(cc3)ccc3OC,0.0
32728,CO-ADD:0299544,5.65,C(/Nc(cc1)ccc1C)(\C(O)=O)=C/C(=O)c2ccc(cc2)Br,0.0
32729,CO-ADD:0299594,5.65,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(NCC=C)=O)c1C)cc(OC)cc3,0.0
32730,CO-ADD:0291682,5.65,c12c(scc1c(cc3)ccc3[N+](=O)[O-])N=C(CCCCC4)N4C2=O,0.0
32731,CO-ADD:0294372,5.65,C1(c2ccc(cc2C)NC(=O)c3cc(c4o3)cccc4)=Cc5c(OC1=O)cccc5,0.0
32732,CO-ADD:0294058,5.65,N1(Oc(nc(Cl)nc2N(c3ccccc3)c4ccccc4)n2)C(=O)c(c5C1=O)cccc5,0.0
32733,CO-ADD:0295007,5.65,[n+]1([O-])onc(C)c1\C=N\N(C)C,0.0
32734,CO-ADD:0294936,5.64,n1(c2ccc(cc2)OC)nc(c3n1)ccc(NC(=O)c4ccc(cc4Cl)Cl)c3,0.0
32735,CO-ADD:0295442,5.64,c1(cc(ccc1Cl)NC(Cc(cc2)ccc2F)=O)C(F)(F)F,0.0
32736,CO-ADD:0295490,5.64,C12=C(CC(C)(C)CC1=O)Oc(c3C2C4=C(O)CC(C)(C)CC4=O)ccc(Br)c3,0.0
32737,CO-ADD:0293101,5.64,c12c(c3c(cccc3)o1)nc(nc2N4CCCCC4)c5ccc(cc5)Cl,0.0
32738,CO-ADD:0292262,5.64,n12c(S\C(=C/c3cc(Cl)ccc3OCc4ccccc4Cl)\C1=O)nc(cc(C)c(C)c5)c25,0.0
32739,CO-ADD:0292916,5.64,C(C(=O)c1ccc(cc1)OC)(C2c3ccccc3Cl)=C(O)C(N2c(cc4)ccc4C(OCC)=O)=O,0.0
32740,CO-ADD:0295605,5.64,C(C(C)=O)(C1c2ccccc2OC)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
32741,CO-ADD:0259150,5.64,n1c(c2cccc(Br)c2)[nH]c(c3ccccc3)c1c4ccc(cc4)Oc5ccccc5,0.0
32742,CO-ADD:0283227,5.64,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccc(Cl)c4,0.0
32743,CO-ADD:0259354,5.64,c12c(c3c(cccc3)OC1=O)nc(c4ccc(cc4)Br)nc2NC(C)=O,0.0
32744,CO-ADD:0260153,5.64,C(=O)(N\N=C\c(ccc(c1OCC)O)c1)c2cccc(O)c2,0.0
32745,CO-ADD:0257455,5.64,c1(nnc(CSCc2ccccc2)s1)NC(=O)c3ccc(cc3)OC,0.0
32746,CO-ADD:0257815,5.64,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cccc(Cl)c2,0.0
32747,CO-ADD:0284360,5.64,c1(nc(c2ccc(cc2)Br)cc3C(F)(F)F)n3ncc1C(OC)=O,0.0
32748,CO-ADD:0283204,5.64,c1(ncn2)c2ncn(CCCS3)c13.Cl,0.0
32749,CO-ADD:0283494,5.64,C(NCCCC(O)=O)(=O)c(cccn1)c1,0.0
32750,CO-ADD:0284664,5.64,N1(CCc2ccccc2)C(=O)CC(S\C(\Nc3ccccc3)=N\c4ccccc4)C1=O,0.0
32751,CO-ADD:0283206,5.64,C(c(cc1)ccc1C#Cc2ccccc2)(N(CC3)CCO3)N(CC4)CCO4,0.0
32752,CO-ADD:0286574,5.64,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1\N=C\c3cc(c4s3)cccc4,0.0
32753,CO-ADD:0287172,5.64,C(/C#N)(=C/c(c(C)cc(c1C(C)C)OC)c1)\C(=O)Nc2cccc(C)c2,0.0
32754,CO-ADD:0291639,5.64,n1(CC(O)CNc2cccc(cccc3)c23)c4c(c(cc(I)cc5)c15)cc(I)cc4,0.0
32755,CO-ADD:0288548,5.64,c1(c2ccccc2)ncc(C)n1C(CCCN3)C3,0.0
32756,CO-ADD:0289357,5.64,c(C(OC)=O)(c1C)[nH]c(c1CNC2CCCCC2)C,0.0
32757,CO-ADD:0289366,5.64,c1(C(=O)N(CC2)CCO2)nn(c(CN3)c1C3)C.Cl,0.0
32758,CO-ADD:0300035,5.64,C(C#N)(C(c1ccccc1OCC)C(C#N)C(N2)=O)=C2SCC(=O)Nc(cc3)ccc3Br,0.0
32759,CO-ADD:0299901,5.64,N1(N=NC(C(C2C3CC=C2)CC34)C14)S(=O)(=O)c5ccc(cc5)C,0.0
32760,CO-ADD:0291410,5.64,S(=O)(=O)(N(CC1)CCN1c2ccc(cc2)F)c3c(OCC)ccc(OCC)c3,0.0
32761,CO-ADD:0287450,5.64,N(CCNC(C)=O)(C1=O)C(C2N1C)N(C)C(N2C)=O,0.0
32762,CO-ADD:0290804,5.64,c1(OC(N)=C(C2c(cc3Br)cc(c3O)Br)C#N)c2c(n[nH]1)C,0.0
32763,CO-ADD:0290860,5.64,C1(C2Cl)C(CC2Sc3ccccc3[N+](=O)[O-])C(c(cccc4[N+](=O)[O-])c4)Nc(ccc(C(O)=O)c5)c15,0.0
32764,CO-ADD:0299491,5.64,N1(c2ccc(cc2)F)C(=O)c3c(C(C)=N1)cccc3,0.0
32765,CO-ADD:0291902,5.64,c(c(C)c(s1)C)(C2=O)c1N=CN2c3cc(C)ccc3OC,0.0
32766,CO-ADD:0292119,5.64,n1c2c(oc1c(cccc3NC(=O)c(cc4OCC)cc(c4OCC)OCC)c3)cccn2,0.0
32767,CO-ADD:0285677,5.64,C(=O)(NCc1ccccc1)CC(C)=O,0.0
32768,CO-ADD:0299200,5.64,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCCNc(cc3)ncc3[N+](=O)[O-],0.0
32769,CO-ADD:0285482,5.64,s1c(N)nnc1SC\C=C\CSc2nnc(N)s2,0.0
32770,CO-ADD:0286156,5.64,c1(C(=O)[O-])cc(ccc1N(CC2)CCN2c3ccccc3OC)[N+](=O)[O-].O,0.0
32771,CO-ADD:0299533,5.64,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)OC,0.0
32772,CO-ADD:0286110,5.64,C1(=NC2=O)C(=Cc(cccc3)c3N1c4cccc(F)c4)C(N2C)=O,0.0
32773,CO-ADD:0286168,5.64,N1(c2ccc(cc2)OC)C(c3cccc(c3)OCc(cc4)ccc4Cl)N(N=C1C(C)=O)c5ccccc5,0.0
32774,CO-ADD:0286145,5.64,N(CN(CC1)CCC12OCCO2)(N=C(N3c4ccccc4)c5ccc(cc5)OC)C3=S,0.0
32775,CO-ADD:0285862,5.64,C12=C(C(Nc(ccc(C)c3)c13)(C)C)SN(c(cc4)ccc4C(F)(F)F)C2=S,0.0
32776,CO-ADD:0299785,5.64,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(cc3OC)cc(c3OC)OC)\C1=O)=O,0.0
32777,CO-ADD:0291717,5.64,C(C(O)=O)(C1c2ccccc2)C(C1C(OC)=O)c3ccccc3,0.0
32778,CO-ADD:0285879,5.64,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)Br)\N2CCCCCCO.Br,0.0
32779,CO-ADD:0290390,5.64,c1(ccccc1NC(CSCc2ccc(cc2Cl)Cl)=O)C(O)=O,0.0
32780,CO-ADD:0294829,5.64,C(=C\c(cccc1[N+](=O)[O-])c1)(/N2CCC3CC2)\C3=O,0.0
32781,CO-ADD:0293788,5.64,n1c(SCC(=O)Nc2ccccc2C)c3c(c(C)n1)cccc3,0.0
32782,CO-ADD:0294539,5.64,c1(nc(c2ccccc2)c(n3)c4ccccc4)n3cc(c5ccc(cc5)Cl)n1,0.0
32783,CO-ADD:0295566,5.64,c1(cn[nH]c1C(=O)Nc2ccc(cc2C)C)[N+](=O)[O-],0.0
32784,CO-ADD:0295830,5.63,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)Sc3nc(c4cccs4)cc(C(F)(F)F)c3C#N,0.0
32785,CO-ADD:0292977,5.63,c1(NC(CSc2nncn2C)=O)sc3c(CCC(C(C)(C)C)C3)c1C(OC)=O,0.0
32786,CO-ADD:0293266,5.63,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c4ccccc4OC)\C1=O)=NC(C)=C2C(OC)=O,0.0
32787,CO-ADD:0293392,5.63,C1(N2)=C(C(C3=C2c4c(C3=O)cccc4)c5ccc(cc5)C)C(NC(=O)N1C)=O,0.0
32788,CO-ADD:0292224,5.63,n1c(c2ccc(cc2)CCC)onc1C(CC3)CCC3C4CCC(CC4)CCC,0.0
32789,CO-ADD:0295141,5.63,C1(c2cccs2)=N\C(\C(=O)O1)=C\c(cc3)ccc3OC(c4ccccc4)=O,0.0
32790,CO-ADD:0292467,5.63,C(#CC(C)(C)C)C(N(CC1)CCO1)N(CC2)CCO2,0.0
32791,CO-ADD:0293383,5.63,c(non1)(nc(Nc2c(OC)ccc(OC)c2)c(n3)Nc4c(OC)ccc(OC)c4)c13,0.0
32792,CO-ADD:0284557,5.63,c1(nccn1Cc2ccccc2)C(O)c3cccc(cccc4)c34,0.0
32793,CO-ADD:0284381,5.63,N1(c2ccc(cc2)Cl)C(=O)c3c(NC1c4ccc(cc4Cl)Cl)cccc3,0.0
32794,CO-ADD:0258681,5.63,N1(Cc2ccccc2)C(=O)C3C(C4\C(=C(\C5)/CCC5)\C3C=C4)C1=O,0.0
32795,CO-ADD:0259209,5.63,c1(OC(N)=C(C2c3ccccc3OC)C#N)c2c(n[nH]1)CCC,0.0
32796,CO-ADD:0283114,5.63,C(/c(cccc1)c1CC23CCCCC2)(=N\c4ccccc4)\N3,0.0
32797,CO-ADD:0259834,5.63,C1(=C(C)NC(=O)NC1c2ccc(cc2)Cl)C(=O)Nc3cccc(Cl)c3,0.0
32798,CO-ADD:0259683,5.63,C(=O)(C(C)Sc1ncccn1)N\N=C(/C2)\CCCC2,0.0
32799,CO-ADD:0259030,5.63,[n+]1(ccc(cc1)C)CC(Br)C(O)=O.[Br-],0.0
32800,CO-ADD:0284646,5.63,c1(nnc(Cc(c2c([nH]3)cccc2)c3)s1)NC(=O)c(ccc(c4Cl)Cl)c4,0.0
32801,CO-ADD:0257385,5.63,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc5c6ccc(cc6[N+](=O)[O-])OC)o5,0.0
32802,CO-ADD:0257449,5.63,C(NCCc(ccc(c1OC)OC)c1)(=O)\C=C\c(ccc(c2OC)OC)c2,0.0
32803,CO-ADD:0257290,5.63,c1(SCC(NCCOc(cc2)ccc2Cl)=O)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
32804,CO-ADD:0291695,5.63,c12c(CCCC1=O)c3c(ccc(OCC(C)C)c3)[nH]2,0.0
32805,CO-ADD:0287437,5.63,n1(c2c(nn1)cccc2)C3(CCC(CC3)C(C)(C)C)N4CC(C)OC(C)C4,0.0
32806,CO-ADD:0287445,5.63,N1(CN2CCC(CC2)C)C(=O)\C(\SC1=S)=C/c3ccccc3Cl,0.0
32807,CO-ADD:0289335,5.63,c1(CN(c2ccccc2)C(c3ccccc3)=O)nn(c(CCN4)c1C4)C.Cl,0.0
32808,CO-ADD:0288886,5.63,c1(nc(c(n1CCNC(c2ccc(F)cc2)=O)C)[N+](=O)[O-])C,0.0
32809,CO-ADD:0289354,5.63,c1(C(=O)Nc2cccc(Cl)c2)nnc(C(CCN3)CC3)s1.Cl,0.0
32810,CO-ADD:0288034,5.63,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OCc5cccc(F)c5)c4)\C1=O,0.0
32811,CO-ADD:0290874,5.63,C1(C(OC)=O)(C(OC)=O)C(C1(CC)C(c2ccccc2)=O)c3ccc(cc3)Br,0.0
32812,CO-ADD:0290771,5.63,c1(nonc1N)\C(\N)=N\N=C\c2c(CO)cnc(C)c2O.Cl,0.0
32813,CO-ADD:0290928,5.63,C1(=O)c2c(cccc2)SC(c3ccc(cc3)OC)O1,0.0
32814,CO-ADD:0291290,5.63,C12(C(OC)=O)C(=C(C)Nc(cccc3)c3N1)C(C(=O)N2c4ccc(cc4)C)=O,0.0
32815,CO-ADD:0299480,5.63,N1(c2ccccc2Br)C(c3ccc(cc3)Cl)CC(c4ccc(cc4)Br)=N1,0.0
32816,CO-ADD:0285694,5.63,c12c(nnc(SCC(=O)Nc3sc(c4c3C(OCC)=O)CCC4)n1)c(c5n2C)cc(cc5)Br,0.0
32817,CO-ADD:0285863,5.63,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Cl)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
32818,CO-ADD:0285272,5.63,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c3cccc(c3)OCC(OCC)=O,0.0
32819,CO-ADD:0299658,5.63,N12C(S\C(=C\c(cc3OC)cc(c3O)Br)\C1=O)=NC(c4ccc(c(OC)c4)O)C(C(OCC)=O)=C2C,0.0
32820,CO-ADD:0290615,5.63,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(cc3)Cl)=C(O)C(N2C)=O,0.0
32821,CO-ADD:0290631,5.63,c1(C(OCC)=O)c2c(oc1CN(CC3)CCN3CC#N)ccc(OC)c2,0.0
32822,CO-ADD:0286149,5.63,c(CC(NC(C)=O)C(NCCOc1cc(C)ccc1C(C)C)=O)(c2c([nH]3)cccc2)c3,0.0
32823,CO-ADD:0285102,5.63,C1(c2ccccc2)=C(C1C(=O)Nc3cccc(Cl)c3C)c4ccccc4,0.0
32824,CO-ADD:0285073,5.62,C(C#N)(C(c1ccc(c2c1)OCO2)C3=C(N4c5cccc(Cl)c5)CCCC3=O)=C4N,0.0
32825,CO-ADD:0286281,5.62,C1(c(cccc2)c2C3(c4ccccc4C)c5ccccc5C)(S3)SC(=NN1c6ccccc6C)C(C)=O,0.0
32826,CO-ADD:0287215,5.62,c12c(occ1OC(c3ccccc3)=O)c(cc4c2OC(=O)C=C4C)NC(c5ccccc5)=O,0.0
32827,CO-ADD:0287796,5.62,C(O1)(\C(\C2)=C\c3ccccc3)=C(CN2CCC)C(C(C#N)=C1N)c4ccccc4,0.0
32828,CO-ADD:0285202,5.62,N1(CCCC)C(=O)\C(\SC1=S)=C/C=C/C=C/N(c2ccccc2)C(C)=O,0.0
32829,CO-ADD:0287405,5.62,N1(C2c3cccc(OC)c3)C(S\C(=C/c(cc4OC)cc(c4O)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32830,CO-ADD:0287975,5.62,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(ccc(c45)OCO4)c5)cc(c(C)c3)C,0.0
32831,CO-ADD:0286432,5.62,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Nc(cc4)ccc4\C(\C)=N\NC(=O)c5nonc5N.Cl,0.0
32832,CO-ADD:0295879,5.62,C(C#N)(=C(N)OC(=C12)CCCC1=O)C2c3ccccc3OC(=O)N(CC4)CCO4,0.0
32833,CO-ADD:0296044,5.62,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccccc4)c5ccccc5,0.0
32834,CO-ADD:0293142,5.62,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c4cc(OC)ccc4OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32835,CO-ADD:0293089,5.62,c1(cc(F)c(cc1N(CC2)CCN2C(CC)=O)N3CCC(CC3)C)[N+](=O)[O-],0.0
32836,CO-ADD:0295548,5.62,c(C(OCC)=O)(sc(c1c2COC)nc(c2[N+](=O)[O-])C)c1N,0.0
32837,CO-ADD:0293872,5.62,n1(C)c(c2ccccc2)nnc1Sc3ccc(cc3[N+](=O)[O-])C(O)=O,0.0
32838,CO-ADD:0292268,5.62,c1(S\C(\C(C)=O)=N\Nc(cc2)ccc2OC)nnnn1c3ccc(cc3)C,0.0
32839,CO-ADD:0294022,5.62,N1(c2ccc(cc2)Cc(cc3)ccn3)C(=O)c4c(cc(cc4)Br)C1=O,0.0
32840,CO-ADD:0294001,5.62,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1NC(C)CNc(cc2)c3c(c2[N+](=O)[O-])cccn3,0.0
32841,CO-ADD:0257986,5.62,c1(NC(CSc2nnc(SCC(=O)Nc3sc4c(ccc(OC)c4)n3)s2)=O)sc5c(ccc(OC)c5)n1,0.0
32842,CO-ADD:0258018,5.62,N1(c2ccc(c(Cl)c2)Cl)C(=O)CC(N3CCCCC3)C1=O,0.0
32843,CO-ADD:0257451,5.62,N1(CC(CC1C2)C(C2(C)C)C)C(=O)c(cc3)ccc3N4C(=O)CCC4=O,0.0
32844,CO-ADD:0283318,5.62,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3O)\N2CC=C,0.0
32845,CO-ADD:0258423,5.62,c1(cc(I)ccc1Cl)C(=O)N\N=C\c(cc2OCC)cc(c2O)Cl,0.0
32846,CO-ADD:0259908,5.62,s1c(N)nnc1SCC(C)=O,0.0
32847,CO-ADD:0258111,5.62,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c3cc(OC)ccc3OC)\N2,0.0
32848,CO-ADD:0284764,5.62,S(=O)(=O)(c1ccc(cc1)NC(=O)CN(CC2=O)CC(N2)=O)Nc3nc(C)cc(C)n3,0.0
32849,CO-ADD:0257308,5.62,N(C)(C1C)CC(C(NCc(ccc(c2OC)OC)c2)C1)C.Cl.Cl,0.0
32850,CO-ADD:0300062,5.62,N1(c2ccc(cc2)C)C(=O)\C(=C\c3c(OC)ccc(cccc4)c34)\C(NC1=S)=O,0.0
32851,CO-ADD:0288587,5.62,C(=O)(OC(C)(C)C)N1CCC(Cc2ncc(C)n2CCOC)CC1,0.0
32852,CO-ADD:0286590,5.62,c1(\N=C/c(ccc2c3ccc(cc3[N+](=O)[O-])Cl)o2)sc(c4c1C(=O)NCc5ccccc5)CCCC4,0.0
32853,CO-ADD:0286783,5.62,c1(N(C)C)n(C)c(c2c1\C(\C#N)=C(\C#N)/C#N)cccc2,0.0
32854,CO-ADD:0286195,5.62,C(C#N)(C(CC(N1)=O)c(ccc(c2[N+](=O)[O-])O)c2)=C1SCC(OC)=O,0.0
32855,CO-ADD:0299388,5.62,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3[N+](=O)[O-])O)c3,0.0
32856,CO-ADD:0291697,5.62,C(C(OCC)=O)(C(c1ccccc1)N2C)=C(C)N=C2SC,0.0
32857,CO-ADD:0288769,5.62,C1(CCN(CC1)C(c2oc([N+](=O)[O-])cc2)=O)(CC3OCC)OCC3,0.0
32858,CO-ADD:0289179,5.62,c1(C(OCC)=O)c(C)c(c(C)[nH]1)C=O,0.0
32859,CO-ADD:0289083,5.62,c(C(=O)Nc(cc1)ccc1F)(nnc2C(OCC)=O)s2,0.0
32860,CO-ADD:0288512,5.62,c1(C(CCN2)C2)n(CCCOC)c(cn1)C.Cl.Cl,0.0
32861,CO-ADD:0288850,5.62,C(C1(C2)CC(CC23)CC(C1)C3)(NCC#C)=O,0.0
32862,CO-ADD:0290843,5.62,S(=O)(=O)(c1c(C)ccc(I)c1)Oc2c(Cl)cc(c(cccn3)c23)Cl,0.0
32863,CO-ADD:0285328,5.62,S(=O)(=O)(N1CCCCC1)c2cc(ccc2N(CC3C)CC(O3)C)[N+](=O)[O-],0.0
32864,CO-ADD:0290825,5.62,S(=O)(=O)(c1cccc(cccc2)c12)Oc3c(Cl)cc(c(cccn4)c34)Cl,0.0
32865,CO-ADD:0299281,5.62,C(NC(CC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C(N)=O)CCC2,0.0
32866,CO-ADD:0284977,5.62,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4ccc(c(OCC)c4)O,0.0
32867,CO-ADD:0285001,5.62,N1(c2cc(C)ccn2)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
32868,CO-ADD:0285889,5.62,C1(C(OCCSCC)=O)=C(C)NC(=C2C1c3ccc(c(OC)c3)O)CCCC2=O,0.0
32869,CO-ADD:0299203,5.62,c1(OC(N)=C(C2c3ccc(c(OC)c3)OC)C#N)c2c(n[nH]1)COC,0.0
32870,CO-ADD:0288442,5.62,n1(Cc2ccccc2)c(C)cnc1C3CCCCN3.Cl.Cl,0.0
32871,CO-ADD:0286289,5.62,c1(cnc(NC(=O)\C=C\c(cc2)ccc2[N+](=O)[O-])s1)[N+](=O)[O-],0.0
32872,CO-ADD:0285515,5.62,c1(NC(=O)c2ccccc2F)sc(c3c1C(N)=O)CCCC3,0.0
32874,CO-ADD:0291322,5.62,n1c2c([nH]c1c3ccc(cc3)NC(C)=O)cc4c(cccc4)c2,0.0
32875,CO-ADD:0292221,5.62,N1(C(=O)c2cccc(O)c2)N=C(CC1(O)c3ccc(cc3)Cl)C,0.0
32876,CO-ADD:0293399,5.62,c1(oc(c2n1)cccc2)Sc(n3)nc(nc3Nc(cc4)ccc4OC)Nc(cc5)ccc5OC,0.0
32877,CO-ADD:0295505,5.61,C(=N/NC(=O)C(=O)c1ccccc1O)(/c2c(N3C)cccc2)\C3=O,0.0
32878,CO-ADD:0295498,5.61,c(c1c2ccccc2)(C3c4ccc(c(Br)c4)F)c([nH]n1)OC(N)=C3C#N,0.0
32879,CO-ADD:0295002,5.61,N1(C2CCCCC2)C3C(NC1=O)NC(=O)N3,0.0
32880,CO-ADD:0294515,5.61,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1N(CC2)CCN2,0.0
32881,CO-ADD:0295789,5.61,n(c1c(CCCCC1)cc2C#N)c2SCC(=O)Nc3cccc(C)c3,0.0
32882,CO-ADD:0295781,5.61,c(CNC(=O)c1ccc(cc1)OCC)(c2C)c(C)n(n2)C,0.0
32883,CO-ADD:0296014,5.61,C1(C2)(CC(CC=C1OCCCl)(CN2C)[N+](=O)[O-])[N+](=O)[O-],0.0
32884,CO-ADD:0257615,5.61,N1(C2c3ccccc3)C(S\C(=C\c(ccc(c4OC)OCc5ccccc5C#N)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32885,CO-ADD:0259026,5.61,c(cc1)ccc1N(C(c2ccco2)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5)C3=S,0.0
32886,CO-ADD:0259839,5.61,C1(C(OC)=O)=C(C)NC(NC1c(cc2)cc(c2OC(=O)c3cccs3)OC)=O,0.0
32887,CO-ADD:0284343,5.61,C(=O)(NC(=O)Nc(cc1)ccc1Cl)c2c(Cl)cc(nc2Cl)Cl,0.0
32888,CO-ADD:0288947,5.61,n1(c2C)c(c3c(Oc4c1ccc(c4)[N+](=O)[O-])cccc3)cc2C(OCC)=O,0.0
32889,CO-ADD:0289003,5.61,C1(Oc(cccc2)c2CN3C(OC)=O)=C3CNN(C)C1=O,0.0
32890,CO-ADD:0288612,5.61,C(=O)(OC(C)(C)C)N(CC1n2c(C)cnc2c3ccncc3)CC1,0.0
32891,CO-ADD:0288916,5.61,n12c(cc(C)n1)c3c(Oc(cc(cc4)C#N)c24)cccc3,0.0
32892,CO-ADD:0285361,5.61,c1(NC(=O)c2ccccc2F)sc(c3c1C(NCC=C)=O)CCCCC3,0.0
32893,CO-ADD:0285097,5.61,C1(C2CC3CC2)C3C1C(NCCc4ccccc4)=O,0.0
32894,CO-ADD:0291057,5.61,S(=O)(=O)(Oc1cccc(cccn2)c12)c3ccc(c(cccc4)c34)Cl,0.0
32895,CO-ADD:0285993,5.61,O[C@@H]1[C@H](CC=NNC(C2=CC=NC=C2)=O)[C@@H](COC3OCCCC3)[C@H](OC4OCCCC4)C1,0.0
32896,CO-ADD:0289092,5.61,n1c(CCN(C)C(=O)Nc2ccccc2OC)noc1c(cc3)ccc3C(O)=O,0.0
32897,CO-ADD:0289079,5.61,n(c1ccc(cc1)OC)(nc(n2)C)c2CCC(O)=O,0.0
32898,CO-ADD:0290987,5.61,N1=C(SCCOc(ccc(c2C)C)c2)Nc(c3C1=O)cccc3,0.0
32899,CO-ADD:0290939,5.61,C(C(OCC)=O)(C1c2ccccc2)=C(c3ccccc3)N=C4N1C(=O)CS4,0.0
32900,CO-ADD:0290772,5.61,c12c(c([nH]n1)c3ccccc3)C(N(c4ccccc4)C2=O)c5ccccc5,0.0
32901,CO-ADD:0290934,5.61,C(=N/c1ccccc1)(/SC=C2c3ccc(cc3)Cl)\N2N(C)C,0.0
32902,CO-ADD:0290447,5.61,[N+]([O-])(=Nc1nonc1N)c2nonc2N,0.0
32903,CO-ADD:0290472,5.61,C(/S(CC)(=O)=O)(\S(CC)(=O)=O)=C(/Nc(cc1)ccc1CC)\Nc(cc2)ccc2CC,0.0
32904,CO-ADD:0287830,5.61,c12c(c(nn1c3ccc(cc3)C)C)C(C(C#N)=C(N)O2)c4ccc(cc4)CC,0.0
32905,CO-ADD:0287855,5.61,N1(c2ccc(c3c2)OCO3)C(=O)\C(\SC1=N)=C\c(cc4)ccc4F,0.0
32906,CO-ADD:0287137,5.61,c(C(O)=O)(c(C)c(c1Cc(c2C)[nH]c(c2C(C)=O)C)CC)[nH]1,0.0
32907,CO-ADD:0285250,5.61,c(cc(cc1C(OC)=O)[N+](=O)[O-])([N+](=O)[O-])c1N2CCNC(C)C2,0.0
32908,CO-ADD:0288738,5.61,c1(cnc(n1CC23CC(CC(C2)C4)CC4C3)c(ccn5)cc5)C,0.0
32909,CO-ADD:0299229,5.61,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCc(ccc(c3Cl)Cl)c3,0.0
32910,CO-ADD:0290610,5.61,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/c2ccc(cc2)Br)\c(ccc(c34)OCCO3)c4)[N+](=O)[O-],0.0
32911,CO-ADD:0299471,5.61,N1(c2c(C)ccc(c2)[N+](=O)[O-])NC(=O)c(c3C1=O)cccc3,0.0
32912,CO-ADD:0287610,5.61,c12c(ccc3c1OC(=O)C=C3C)O\C(=C/c(cc4)ccc4Br)\C2=O,0.0
32913,CO-ADD:0287899,5.61,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccccc1F)Nc2sc(c3c2C#N)CCCC3,0.0
32914,CO-ADD:0292179,5.61,C(=O)(NNC(=O)\C=C\c(cc1)ccc1C(C)C)c(cccn2)c2,0.0
32915,CO-ADD:0291311,5.61,N1(Nc2c(Cl)cc(cc2Cl)Cl)C(=O)C(C(CC=C3)C1=O)C3,0.0
32916,CO-ADD:0285565,5.61,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)Cc4cccc(cccc5)c45)n1,0.0
32917,CO-ADD:0288062,5.61,C1(=S)N(CCC(=O)N1)C(CC2(C)C)CC(N2)(C)C,0.0
32918,CO-ADD:0299995,5.61,c12c(C(N(C)C(=O)N1C)=O)n(c(Sc3nccn3C)n2)Cc4c(cccc4Cl)Cl,0.0
32919,CO-ADD:0299948,5.61,C(C#N)(C(c1ccccc1OCC)C(C#N)C(N2)=O)=C2SCC(OCC)=O,0.0
32920,CO-ADD:0286411,5.61,C1(C(c2ccccc2)=O)=C(Nc3ccccc3)C(NC1c4ccc(cc4)C)=O,0.0
32921,CO-ADD:0290552,5.61,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)Sc3nc(c4ccccc4)cc(C(F)(F)F)c3C#N,0.0
32922,CO-ADD:0293429,5.61,N12C(C)(C(OC1=O)(C)CC3)C3C(C)(C)N2c4ccc(cc4)C,0.0
32923,CO-ADD:0295795,5.61,S(N)(=O)(=O)c1ccc(cc1)NC(CSc2c(cc(c3n2)CCCCC3)C#N)=O,0.0
32924,CO-ADD:0296051,5.61,c12c(C(N(C)C(=O)N1C)=O)n(c(Br)n2)CC(=O)C34CC(CC5C3)CC(C5)C4,0.0
32925,CO-ADD:0294638,5.61,N1(C2c3ccccc3)C(S\C(=C/c(ccc4c5ccccc5[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32926,CO-ADD:0293599,5.61,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c4ccccc4C(O)=O)o3,0.0
32928,CO-ADD:0293565,5.61,N(\C(=C\c(cc1)ccc1N(C)C)\C(O2)=O)=C2c3ccc(cc3)Br,0.0
32929,CO-ADD:0295997,5.61,N1(c2c(cccc2)C(=CC1(C)C)C)C(=O)c(cc3OC)cc(c3OC)OC,0.0
32930,CO-ADD:0296156,5.6,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])c1,0.0
32931,CO-ADD:0296112,5.6,c1(OC)nonc1OCCNc(cc2)c(Cl)cc2[N+](=O)[O-],0.0
32932,CO-ADD:0296122,5.6,c1(cc(Cl)ccc1N(CC2)CCN2CC(=O)N(CC3)CCO3)[N+](=O)[O-],0.0
32933,CO-ADD:0296138,5.6,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N3CCCCC3,0.0
32934,CO-ADD:0293475,5.6,c1(c2c(s3)CCCC2)c3ncnc1N4CCCCCC4,0.0
32935,CO-ADD:0295990,5.6,N1(CCC(O)=O)C(=O)c2c(cc(cc2)C)C1=O,0.0
32936,CO-ADD:0294640,5.6,N1(c2ccc(cc2[N+](=O)[O-])Br)C(C)=Nc(c3C1=O)ccc(I)c3,0.0
32937,CO-ADD:0294342,5.6,c(c1c2ccccc2)(C3c4cccc(c4)OC(=O)c5ccco5)c([nH]n1)OC(N)=C3C#N,0.0
32938,CO-ADD:0293865,5.6,C1(C)(C(=O)Nc2ccc(c(OC)c2)OC)CC1(Cl)Cl,0.0
32939,CO-ADD:0294599,5.6,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)NC(=O)c4ccc(c5ccc(cc5)Cl)o4,0.0
32940,CO-ADD:0259075,5.6,c(c1c2ccccc2)(C3c(cccn4)c4)c([nH]n1)OC(N)=C3C#N,0.0
32941,CO-ADD:0283507,5.6,N12C(S\C(=C\c3cc(OC)ccc3OC)\C1=O)=NC(C)=C(C(OCC)=O)C2c4ccc(c(cccc5)c45)OC,0.0
32942,CO-ADD:0277596,5.6,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c3cc(OC)ccc3OC)\N2CC=C,0.0
32943,CO-ADD:0284067,5.6,C1(C(=O)Nc2ccccc2OCC)C3C1C4CC3CC4,0.0
32944,CO-ADD:0257811,5.6,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(ccc(c4OC)OCC)c4)\C1=O,0.0
32945,CO-ADD:0259881,5.6,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(Nc(cc4)ccc4OCC)C(N2c5ccccn5)=O,0.0
32946,CO-ADD:0257984,5.6,[nH]1c(C)nnc1SCC(=O)Nc2ccccc2C#N,0.0
32947,CO-ADD:0258566,5.6,n1(CC(=O)N\N=C\c(ccc2c(cc3)c(C)c(c3[N+](=O)[O-])C)o2)nnnc1c4ccccc4,0.0
32948,CO-ADD:0285090,5.6,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccn5c6cccc(c6)[N+](=O)[O-],0.0
32949,CO-ADD:0291616,5.6,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc5c6ccc(cc6Br)[N+](=O)[O-])o5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32950,CO-ADD:0290373,5.6,C1(=S)c(cccc2)c2CC3(CCCCCC3)N1,0.0
32951,CO-ADD:0289208,5.6,N(Cc(ccc(OCCN1)c2C1)c2)(c3ccc(cc3)C)C(C(C)C)=O.Cl,0.0
32952,CO-ADD:0289328,5.6,c1(C(=O)N(CC2)CCO2)nn(c(CCN3)c1C3)C.Cl,0.0
32953,CO-ADD:0288510,5.6,c1(CC(CCN2)C2)ncc(C)n1C(C)C.Cl.Cl,0.0
32954,CO-ADD:0299167,5.6,C1(C)(OC(=C23)CC(CC2=O)(C)C)C3CC(=O)O1,0.0
32955,CO-ADD:0299191,5.6,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCN3Cc(cc4)ccc4Cl)C1=O,0.0
32956,CO-ADD:0291968,5.6,c1(c(Cl)c2c(cccc2)s1)C(=O)N(c3c(cccc3C)C(=C45)C(SS4)=S)C5(C)C,0.0
32957,CO-ADD:0285198,5.6,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)SCC(N)C(OCC)=O.Cl,0.0
32958,CO-ADD:0290719,5.6,C1(C(=O)Nc(cc2)ccc2F)=Cc(cccc3CC=C)c3OC1=O,0.0
32959,CO-ADD:0291651,5.6,N(/O)=C(\C)/C1CCCCCCCCCCC1,0.0
32960,CO-ADD:0287800,5.6,c1(OC(N)=C(C2c3ccccc3F)C#N)c2c([nH]n1)C,0.0
32961,CO-ADD:0291716,5.6,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)OCc(cc3)ccc3[N+](=O)[O-],0.0
32962,CO-ADD:0288039,5.6,c1(C2c3ccc(c(OC)c3)O)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
32963,CO-ADD:0286174,5.6,N1C(CSC(CC(=O)Nc(cc2)ccc2C(OC)=O)C1=O)C(OCC)=O,0.0
32964,CO-ADD:0287714,5.6,C(=O)(N(CC1)CCN1C(c2ccccc2)=O)c3cc(Br)cc(Br)c3,0.0
32965,CO-ADD:0287692,5.6,c(Sc1nnc(C)s1)(n2)nc(nc2Nc(cc3)ccc3C)Nc(cc4)ccc4C,0.0
32966,CO-ADD:0287404,5.6,N1(C2c3cccc(OC)c3)C(S\C(=C/c(ccc4c5ccccc5C(O)=O)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
32967,CO-ADD:0285581,5.6,C12c(cccc3)c3C(C(C)C1C(=O)Nc4ccc(cc4C)C)c(cccc5)c25,0.0
32968,CO-ADD:0299572,5.6,[N+](=O)([O-])c1ccc(c2c1cccn2)NCCc3ccccc3,0.0
32969,CO-ADD:0299741,5.6,C(=O)(C(OC)c1ccccc1)NC2CC2,0.0
32970,CO-ADD:0286225,5.6,c12c(nnc(SCC(=O)Nc3cc(on3)C)n1)c4c(cccc4)n2CCC,0.0
32971,CO-ADD:0287542,5.6,C(C#N)(C(c1cccs1)C2=C(N3c4ccc(cc4F)Br)CC(C)(C)CC2=O)=C3N,0.0
32972,CO-ADD:0287016,5.6,C1(C(OCC)=O)=C(O)C(=C(C)NC1=O)Cl,0.0
32973,CO-ADD:0292903,5.6,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc4c(OC)cc(c(OC)c4)Cl)c1Cl,0.0
32974,CO-ADD:0295609,5.6,C1(C(C)=O)=C(Nc(cc2)ccc2Br)CC(C)(O)C(C(C)=O)C1c3ccc(cc3)Br,0.0
32975,CO-ADD:0292682,5.6,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4ccc(c(O)c4)OC,0.0
32976,CO-ADD:0292612,5.6,N1(Nc(cc2)ccc2Cl)C(=O)c3c(c4C1=O)c(ccc3)cc(Br)c4,0.0
32977,CO-ADD:0292821,5.6,N(=C1SCc2ccccc2)C(=O)C(C(=O)N1)NC(C)=O,0.0
32978,CO-ADD:0295655,5.59,c12c(c3c(CCCC3)s1)c(nc(c4ccc(cc4)OCC(C)C)n2)O,0.0
32979,CO-ADD:0292837,5.59,c1(Sc2ccc(cc2C(O)=O)[N+](=O)[O-])nnnn1c3ccccc3,0.0
32980,CO-ADD:0293591,5.59,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCC2)C(=O)Nc4ccccc4,0.0
32981,CO-ADD:0292577,5.59,C(/C(OCC)=O)(\C(OCC)=O)=C\Nc1[nH]nc(C)c1c2ccccc2,0.0
32982,CO-ADD:0292548,5.59,N1(C=O)C(C)CC(Nc(ccc(Br)c2)c12)=O,0.0
32983,CO-ADD:0295993,5.59,N(c1c2cccc1)=C(CC(N2)=O)C(F)(F)F,0.0
32984,CO-ADD:0293490,5.59,c1(NC(=O)c2ccccc2C)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
32985,CO-ADD:0294971,5.59,c1(N(CC2)CCN2CC(=O)Nc3c(C)cc(cc3C)C)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
32986,CO-ADD:0295557,5.59,[n+]([O-])(c(N)[n+]([O-])c([n+]1[O-])N)c1N,0.0
32987,CO-ADD:0258567,5.59,C(=C/c(ccc1c(cccc2C(O)=O)c2)o1)(/C(=O)NC(N3)=S)\C3=O,0.0
32988,CO-ADD:0258736,5.59,C1(O)(c2c(N(C)C1=O)cccc2)C3Cc(c4C3=O)cc(cc4)OC,0.0
32989,CO-ADD:0257647,5.59,N1(c(cc2)ccn2)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(cc4)ccc4C(O)=O,0.0
32990,CO-ADD:0257980,5.59,C(=O)(C(C)NC(OCc1ccccc1)=O)Nc2ccc(cc2C)I,0.0
32991,CO-ADD:0257973,5.59,c1(C#N)c(c2ccc(cc2)C)cc(nc1SCC(O)CNc(cc3)ccc3Cl)c4ccccc4,0.0
32992,CO-ADD:0277402,5.59,c(C#N)(c(\C(\C#N)=C\c(cc1)ccc1N(CC)CC)nn2c3ccccc3)c2N,0.0
32993,CO-ADD:0285371,5.59,c12c(c3c(cccc3)n1)n[nH]c(SCC(O)=O)n2,0.0
32994,CO-ADD:0287195,5.59,c1(c2N)c(c(cc2C(O)=O)Br)C(c3c(cccc3)C1=O)=O,0.0
32995,CO-ADD:0287867,5.59,n12c(S\C(=C/c(ccc3c(cc(C)c(c4[N+](=O)[O-])C)c4)o3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
32996,CO-ADD:0299387,5.59,N1(c(cc2)ccc2C(OCC)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C(OCC)=O,0.0
32997,CO-ADD:0291736,5.59,c12c(n(c(SCCCCCCCC)n1)CCOC)C(NC(=O)N2C)=O,0.0
32998,CO-ADD:0290506,5.59,c1(Sc(cc2)ncc2[N+](=O)[O-])nnc(COc(cc3)ccc3C(C)(C)C)n1c4ccccc4,0.0
32999,CO-ADD:0292042,5.59,s1c(c2ccc(cc2)F)nnc1NC(=O)c3ccccc3Br,0.0
33000,CO-ADD:0285151,5.59,C(=C\c(ccc1c2ccc(cc2F)F)o1)(/C3=O)\Sc(c34)cccc4,0.0
33001,CO-ADD:0299975,5.59,n1(c2cccc(cccc3)c23)nnnc1SCC(=O)c4ccc(cc4Cl)Cl,0.0
33002,CO-ADD:0286769,5.59,c1(cc(ccc1N(CC2)CC(N23)CCC3)[N+](=O)[O-])[N+](=O)[O-],0.0
33003,CO-ADD:0291350,5.59,C(c1ccccc1)(CC2c3ccccc3Cl)(OC(c4ccccc4)=O)NC(=C2C#N)SCC,0.0
33004,CO-ADD:0291395,5.59,C(=O)(C(CCCC1)C12)Nc(c3)c(NC2=O)ccc3[N+](=O)[O-],0.0
33005,CO-ADD:0285236,5.59,C(CC)(C(C)C1)(CC(N1C)C)OC(c2ccccc2)=O.Cl,0.0
33006,CO-ADD:0284950,5.59,c1(c2nc3c(cccc3)n1)\C(=N/OC(CCc4ccccc4)=O)\c5c2cccc5,0.0
33007,CO-ADD:0285624,5.59,C1(c2ccccc2OC)Nc(c3O1)cc(cc3C(C)(C)C)C(C)(C)C,0.0
33008,CO-ADD:0287613,5.59,C(=O)(c1ccc(cc1)Cl)N(CC2)CCC2C(N)=O,0.0
33009,CO-ADD:0287693,5.59,N(C(=O)CSc1nnc[nH]1)(c2c3cccc2)C(C)(C)CC3(C)c4cccc(C)c4,0.0
33010,CO-ADD:0287656,5.59,c(C#N)(c1C)c(C)c([nH]1)C=O,0.0
33011,CO-ADD:0299534,5.59,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)OCC,0.0
33012,CO-ADD:0286269,5.59,c1(NC(c2ccc(cc2)Cl)Sc3sc4c(ccc(OCC)c4)n3)sc5c(CCC(C(C)(C)C)C5)c1C#N,0.0
33013,CO-ADD:0287985,5.59,C(C(OCCOC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccs3,0.0
33014,CO-ADD:0286319,5.59,c1(C(=O)c2ccc(cc2)Cl)oc(c3c1N)ccc(OC)c3,0.0
33015,CO-ADD:0296160,5.59,N(/c(cc1)ccc1C)=C\c2ccccc2O,0.0
33016,CO-ADD:0293380,5.59,S(=O)(=O)(N(CCC)C1C2OC(C(O1)O3)OC(C3N4CCC)N(S4(=O)=O)CCC)N2CCC,0.0
33017,CO-ADD:0294721,5.59,S(=O)(=O)(c(cc1)ccc1C(C)=O)N(CC2)CCN2c3ccccc3C,0.0
33018,CO-ADD:0294689,5.59,C(C(C#N)C#N)(C#N)(C#N)CC(=O)C1CC(CC12)C=C2,0.0
33019,CO-ADD:0294681,5.59,c(c1c(s2)CCCC1)(C(=O)N(C)C(=N3)SCC(=O)Nc(ccc(c4s5)nc5SCC(NCCOc(cc6)ccc6Cl)=O)c4)c23,0.0
33020,CO-ADD:0293213,5.59,S1(=O)(=O)c(cccc2)c2C(N(N)CCC(=O)N3CCCCC3)=N1,0.0
33021,CO-ADD:0296098,5.59,c1(cccnc1Oc(cc2)ccc2Cl)C(=O)N(CC)CC,0.0
33022,CO-ADD:0292458,5.59,C1(C(OCC)=O)=C(C)NC(NC1N(C)C)=O,0.0
33023,CO-ADD:0293382,5.59,n12c(nnn1)c(Nc3ccccc3F)nc(non4)c24,0.0
33024,CO-ADD:0295916,5.59,c1(C2c3c(cccc3F)Cl)c([nH]nc1c(cc4)ccc4[N+](=O)[O-])OC(N)=C2C#N,0.0
33025,CO-ADD:0294099,5.58,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)C)=C(O)C(N2CCCCCC(O)=O)=O,0.0
33026,CO-ADD:0295753,5.58,c1(NC(=O)c2cccnc2Cl)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
33027,CO-ADD:0293935,5.58,c12c(CCc(cccc3)c13)c(c4c(cccc4)n2)C(=O)Nc(cc5)ccc5Cl,0.0
33028,CO-ADD:0293914,5.58,C(/C(=O)C(=O)OC(C)C)=C(\c1ccccc1)/Nc2ccccc2O,0.0
33029,CO-ADD:0257288,5.58,c1(SCC(NCCOc(cc2)ccc2Cl)=O)sc3c(ccc(c3)\N=C\c4c5c(cccc5)cc(cccc6)c46)n1,0.0
33030,CO-ADD:0257640,5.58,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)NC(=CNC(N4)=O)C4=O,0.0
33031,CO-ADD:0257297,5.58,N1(CCc(ccc(c2OC)OC)c2)C(=O)C(C(C(CC3=O)c(c45)cccc4)C1=O)C35,0.0
33032,CO-ADD:0283038,5.58,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3S(=O)(=O)N(CCOC(=O)c4ccccc4OC)c5ccc(cc5)C)=N1,0.0
33033,CO-ADD:0278714,5.58,C(/C#N)(=C/c(cc(OCO1)c1c2)c2Br)\C(=O)Nc(cc3)ccc3OC,0.0
33034,CO-ADD:0283773,5.58,[N+](CC1)(CCO1)(CCC)CC#CC2(CCCCC2)O.[I-],0.0
33035,CO-ADD:0258455,5.58,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Br)c4sc(c5c4C(OCC)=O)CCCC5,0.0
33036,CO-ADD:0257217,5.58,c1(nn(cc1Br)C)C(=O)n(ncc2[N+](=O)[O-])c2,0.0
33037,CO-ADD:0278427,5.58,c(C(=O)c1ccc(cc1)OC)(sc(c2c3C)nc(c3C(=O)Nc4ccccc4)C)c2N,0.0
33038,CO-ADD:0259858,5.58,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3F)\N2Cc(cc4)ccc4S(N)(=O)=O)N(CC5)CCO5.Br,0.0
33039,CO-ADD:0288584,5.58,C(N(CC1Cc2n(c(cn2)C)CC3CC3)CCC1)(=O)OC(C)(C)C,0.0
33041,CO-ADD:0299716,5.58,o(c(SCC(=O)c(cc1)ccc1[N+](=O)[O-])nn2)c2c3ccccc3,0.0
33042,CO-ADD:0291642,5.58,C1(C(OC)=O)=C(C)NC(=S)NC1c2ccc(cc2)C,0.0
33043,CO-ADD:0299405,5.58,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cccc(C)c4,0.0
33044,CO-ADD:0289024,5.58,c1(C(=O)Nc2ccc(cc2F)F)sc(nn1)COc(cc3)ccc3C(O)=O,0.0
33045,CO-ADD:0288913,5.58,n12c(cc(C)n1)c3c(Oc(cc(cc4)C#N)c24)ccc(Cl)c3,0.0
33046,CO-ADD:0288078,5.58,C1(SCc2c(cc(c(C)c2)C)CS1)c3ccccc3O,0.0
33047,CO-ADD:0286699,5.58,c1(C(=O)N(CC2)CCN2C(c3ccccc3)=O)c(Cl)c4c(cccc4)s1,0.0
33048,CO-ADD:0286701,5.58,n1(c2ccccc2C)c(S)nnc1c3ccc(cc3)Cl,0.0
33049,CO-ADD:0288718,5.58,c(cccc1NC(=O)C(=S)N\N=C\c2ccc([N+](=O)[O-])o2)c1C,0.0
33051,CO-ADD:0292092,5.58,c1([nH]c(c2n1)cccc2)\C(=C\c(cc3)ccc3Br)\NC(=O)c4ccccc4Cl,0.0
33052,CO-ADD:0290398,5.58,N12C(S\C(=C\c3ccc(cc3OC)OC)\C1=O)=NC(C)=C(C(C)=O)C2c4c(OC)ccc(cccc5)c45,0.0
33053,CO-ADD:0285210,5.58,n1(C(Nc2ccc(cn2)Br)c3ccc(C)o3)c(C)c(c(C)n1)Cl,0.0
33054,CO-ADD:0287767,5.58,c1(nnc(ccc(Cl)n2)n12)C(F)(F)C(F)(F)F,0.0
33055,CO-ADD:0286236,5.58,c1(NC(=O)CSS(=O)(=O)[O-])sc(c(C)c1C(OCC)=O)C(OCC)=O.[Na+],0.0
33056,CO-ADD:0286594,5.58,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c(cc3Br)cc(c3O)Br,0.0
33057,CO-ADD:0287002,5.58,C(=O)(Nc1ccccc1Cl)Nc2cc(C)ccn2,0.0
33058,CO-ADD:0299268,5.58,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccc(cc5)Cl)C1=O,0.0
33059,CO-ADD:0285305,5.58,n1c2c(oc1c3ccc(cc3)NCc(ccc(c45)OCO4)c5)cccc2,0.0
33060,CO-ADD:0285617,5.58,c1(cc(oc1c2ccccc2)C)C(=O)N(CC3)CCN3c4ccc(cc4[N+](=O)[O-])Cl,0.0
33061,CO-ADD:0284947,5.58,N1(CC(OC)OC)C(=O)c2c(cc(cc2)Br)C1=O,0.0
33062,CO-ADD:0284972,5.58,C(C(=O)OC1CCCC1)(C2c3ccc(cc3)Cl)=C(C)NC(CC(c4ccc(cc4)Cl)CC5=O)=C25,0.0
33063,CO-ADD:0287917,5.58,c1(C2c3cccs3)c(n[nH]c1c4ccccc4)OC(N)=C2C#N,0.0
33064,CO-ADD:0287261,5.58,c(C#N)(c1c2ccco2)c(SCC(=O)c3ccc(cc3)Cl)nc(N)c1C#N,0.0
33065,CO-ADD:0299559,5.58,C(CNc(cc1)ccc1Cl)(=O)N\N=C\C(\Br)=C\c2ccccc2,0.0
33066,CO-ADD:0299584,5.58,c1(ccco1)\C=C\C(NCCOc2ccccc2c3ccccc3)=O,0.0
33067,CO-ADD:0299598,5.58,C1(C#N)(C#N)C2=C(CC(C)(C)CC2=O)OC(N)=C1C#N,0.0
33068,CO-ADD:0299575,5.57,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(C)=O)Cl,0.0
33069,CO-ADD:0295977,5.57,c12c([nH]nc1c(cccc3[N+](=O)[O-])c3)OC(=C(C#N)C24c5c(NC4=O)cccc5)N,0.0
33070,CO-ADD:0293544,5.57,c1(C(O)c2cc(OC)ccc2OC)n(C)c3c(cccc3)n1,0.0
33071,CO-ADD:0295085,5.57,c1(C(NCCNC(=O)c2ccc(cc2OC)SC)=O)nonc1N,0.0
33072,CO-ADD:0293716,5.57,C1(C#N)=CC=C(NC1=S)\C=C(\C)/C,0.0
33073,CO-ADD:0295893,5.57,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c(cc3)ccc3C4C(C#N)=C(N)Oc5c4c(CCC)n[nH]5,0.0
33074,CO-ADD:0295364,5.57,c1(O2)c(c(n[nH]1)CC)C(C(C#N)=C2N)c(cc3)ccc3N(C)C,0.0
33075,CO-ADD:0294573,5.57,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCNCCOc2c(C)non2,0.0
33076,CO-ADD:0294566,5.57,N1(C(c2ccc(cc2)Br)CC(c3ccc(cc3)Br)=N1)S(=O)(=O)c4ccc(cc4)C,0.0
33077,CO-ADD:0278897,5.57,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4I)OC)c4)\C1=O,0.0
33078,CO-ADD:0284259,5.57,c1(nc(c2ccccc2)cc3C(F)(F)F)n3ncc1C(=O)N4CCc(c5C4)cccc5,0.0
33079,CO-ADD:0258129,5.57,S1C(=S)N(C(C)(C)C1\[N+](\[O-])=C\c(cc2)ccc2Cl)C,0.0
33080,CO-ADD:0284330,5.57,C(=O)(N(CC1)CCN1c(cc2)ccc2[N+](=O)[O-])c3ccc4c(c(ccc5)CC4)c35,0.0
33081,CO-ADD:0259680,5.57,C(=O)(N\N=C\c1cccc(Br)c1)C(C)Sc2ncccn2,0.0
33082,CO-ADD:0259027,5.57,c(cc1Cl)ccc1C(N2C)=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
33083,CO-ADD:0260207,5.57,N1(c2ccc(c3c2)OCO3)C(=O)C(C(C1=O)C45C)C(c(c46)cccc6)c(c57)cccc7,0.0
33084,CO-ADD:0277717,5.57,N(c1ccccc1OC)(C(=O)C(C23)C(C(C)=O)=NN2c4ccc(cc4)Cl)C3=O,0.0
33085,CO-ADD:0283299,5.57,C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)([N+](=O)[O-])c(nc(NCCO)nc1C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])n1,0.0
33086,CO-ADD:0283588,5.57,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c5c4C(OC)=O)CCCC5)c1Br,0.0
33087,CO-ADD:0288545,5.57,c1(CC(CCCN2)C2)ncc(C)n1CCOC.Cl.Cl,0.0
33088,CO-ADD:0288801,5.57,c1(C2CCCC2)ncc(nn1)C,0.0
33089,CO-ADD:0288794,5.57,c1(c2cscc2)ncc(nn1)C,0.0
33090,CO-ADD:0287875,5.57,C1(C(OCC)=O)=C(C)NC(=NC1c2ccccc2OC)SCc(cc3)ccc3Br,0.0
33091,CO-ADD:0286209,5.57,N1(c2cccc(c2)[N+](=O)[O-])C(=O)C(=CC1(C)C(OCC)=O)Nc(cccc3[N+](=O)[O-])c3,0.0
33092,CO-ADD:0287765,5.57,C(=S)(NC(c1ccc(cc1)OC)C=C2c3ccc(cc3)C)N2,0.0
33093,CO-ADD:0299421,5.57,N1(c2cccc(c2)C(=O)Nc(cc3)ccc3F)C(=O)c4c(cccc4)C1=O,0.0
33094,CO-ADD:0291722,5.57,C1(NC(=O)c2c(cccc2[N+](=O)[O-])C(O)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
33095,CO-ADD:0299831,5.57,N1(c2cccc(C)c2)C(=O)\C(=C\C=C\c3ccccc3[N+](=O)[O-])\C(NC1=O)=O,0.0
33096,CO-ADD:0299897,5.57,P(O)(O)(=O)\C=C\c1ccccc1,0.0
33097,CO-ADD:0286324,5.57,c1(c2ccccc2O)nnc(SCC(c3ccccc3)=O)o1,0.0
33098,CO-ADD:0288074,5.57,c(cc(C)cc1C2SCc3c(cc(c(C)c3)C)CS2)(c1O)[N+](=O)[O-],0.0
33099,CO-ADD:0287715,5.57,C(=O)(N1CCCCCC1)c2cc(Br)cc(Br)c2,0.0
33100,CO-ADD:0299292,5.57,C(/c(cc(C)cc1)c12)(\C(=S)C(N2C(C(C)C)=O)(C)C)=C(/SC(=C3C(OC)=O)C(OC)=O)\S3,0.0
33101,CO-ADD:0291281,5.57,c1(N(C)C2=O)c(n(c(C#N)n1)C)C(N2Cc3ccccc3F)=O,0.0
33102,CO-ADD:0291297,5.57,n1(C(=O)CSc2sc3c(ccc(c3)NC(C(C)Br)=O)n2)c4c(c(CCCC5)c15)cccc4,0.0
33103,CO-ADD:0299406,5.57,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cccc4C(C)=O)c4,0.0
33104,CO-ADD:0299425,5.57,N1(c2ccc(c(Cl)c2)C)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
33105,CO-ADD:0290607,5.57,n1c2c(cccc2)nc(cc3N(CC4)CCO4)c1c(cccc5)c35,0.0
33106,CO-ADD:0288623,5.57,C(=O)(OC(C)(C)C)N(C1)CCC(C1)Cn2c(C)cnc2C(CCO3)CC3,0.0
33107,CO-ADD:0299616,5.57,N1(c2ccc(cc2N)[N+](=O)[O-])C(c3ccccc3)=CC(=O)C1(O)CC(OC)=O,0.0
33108,CO-ADD:0291302,5.57,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C\c5ccccc5Br)\C6=O)N36)N(C(=O)N1C)C,0.0
33109,CO-ADD:0285789,5.57,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCCC2)C(=O)Nc(cc4)ccc4OC,0.0
33110,CO-ADD:0285341,5.57,c1(NC(=O)CC(OC)=O)nc(c2ccccc2)cc(c3ccccc3)c1C#N,0.0
33111,CO-ADD:0294804,5.57,n1(Cc2ccccc2)c3c(nc1CNc(ccc(c45)n(cn4)C)c5)cccc3,0.0
33112,CO-ADD:0294297,5.57,c1(C#N)c(SCC(=O)N(CC2)CCO2)nc(cc1C(F)(F)F)c3cccs3,0.0
33113,CO-ADD:0294289,5.57,c1(Nc(cc2)ccc2C(NC)=O)c3c(cccc3)c(nn1)C,0.0
33114,CO-ADD:0295938,5.57,S(=O)(=O)(N1CCC(CC1)C(N)=O)c2c(C)cc(cc2C)C,0.0
33115,CO-ADD:0293241,5.56,C1(C(CC=C2)C2c3c(ccc(cccc4)c34)N1)c5c(cccc5Cl)Cl,0.0
33116,CO-ADD:0292757,5.56,S(=O)(=O)(N(CC1)CCN1C)c2ccc(c(Cl)c2Cl)Cl,0.0
33117,CO-ADD:0294129,5.56,o1c(C)ccc1CCC(=O)Nc(cc2)ccc2Cl,0.0
33118,CO-ADD:0293248,5.56,C(C#N)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc(cccc5C(O)=O)c5)C24,0.0
33119,CO-ADD:0292744,5.56,N(C(CC)=O)(c1c2cccc1)C(=O)C(C)CN2C(CC)=O,0.0
33120,CO-ADD:0294362,5.56,c1(oc(c2n1)ccc(c2)NC(=O)c3cc(Br)ccc3Cl)c4ccc(cc4Cl)Cl,0.0
33121,CO-ADD:0284563,5.56,S(=O)(=O)(c1c(Cl)ccc(c1)S(=O)(=O)N2CC(C)OC(C)C2)N3CC(C)OC(C)C3,0.0
33122,CO-ADD:0258459,5.56,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cccc3[N+](=O)[O-])c3)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
33123,CO-ADD:0283040,5.56,c1(c(cccc1OC)OC)C(=O)NCC(C2)(CC(CC23)CC4(C3)CNC(=O)c5c(cccc5OC)OC)C4,0.0
33124,CO-ADD:0258806,5.56,N1(c2c(C)ccc(Cl)c2)C(=O)C3C(C1=O)C(C(=O)C34c5ccccc5)(c6ccccc6)C(=C4c7ccc(cc7)OC)c8ccc(cc8)OC,0.0
33125,CO-ADD:0260116,5.56,N1(Cc(cc2)ccc2Cl)\C(=N\c(cc3)ccc3F)\SC=C1c(cc4)ccc4C5CCCCC5.Br,0.0
33126,CO-ADD:0278540,5.56,c1(C(OCC)=O)c(CN(CC2)CCO2)[nH]c(C(=O)OCc3ccccc3)c1C,0.0
33127,CO-ADD:0289119,5.56,C(=O)(OC(C)(C)C)N(CCC1(CCC)C(O)=O)CC1,0.0
33128,CO-ADD:0288747,5.56,c(C)(c1)n(CC2CC2)c(CC(CCN3C(c4ccc(o4)[N+](=O)[O-])=O)C3)n1,0.0
33129,CO-ADD:0288763,5.56,C1(CC(CC2)Cc3nc(c4cnccc4)no3)(O2)CCN(CC1)C(c(c5)oc([N+](=O)[O-])c5)=O,0.0
33130,CO-ADD:0288541,5.56,n(C(CCCN1)C1)(c(C)cn2)c2COC.Cl.Cl,0.0
33131,CO-ADD:0287773,5.56,C(NNCc(cc1C(C)(C)C)cc(c1O)C(C)(C)C)(=O)C(NNCc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)=O,0.0
33132,CO-ADD:0291342,5.56,c12c(ccc(c1)c3c(c4ccccc4)nc(c(C#N)n3)C#N)C(c(ccc(c5)c6c(c7ccccc7)nc(c(C#N)n6)C#N)c25)=O,0.0
33133,CO-ADD:0288795,5.56,c1(c2sccc2)ncc(nn1)C,0.0
33134,CO-ADD:0289128,5.56,n(c(cc1)ccc1C(C)C)(nc(n2)CC)c2CCC(O)=O,0.0
33135,CO-ADD:0288939,5.56,n12c(c3c(Oc(cc(C(OC)=O)cn4)c14)cccc3)cc(CN5CCCCC5)n2,0.0
33136,CO-ADD:0286118,5.56,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCC2)C(=O)Nc4cccc(cccc5)c45,0.0
33137,CO-ADD:0300061,5.56,N1(c2ccccc2)C(=O)\C(=C\c3c(OC)ccc(cccc4)c34)\C(NC1=S)=O,0.0
33138,CO-ADD:0287169,5.56,c1(NC(=S)NC(=O)c(c(Cl)cn2)n2C)sc(c(CCN3CC)c1C(N)=O)C3,0.0
33139,CO-ADD:0287417,5.56,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
33140,CO-ADD:0287593,5.56,n1c(ccc(c23)cccc2)c3c4c(CCC4)c1c5cccs5,0.0
33141,CO-ADD:0299445,5.56,[N+](=O)([O-])c1ccc(cc1NCCO)N2CCNC(C)C2.Cl,0.0
33142,CO-ADD:0299255,5.56,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)NCCCCCCC,0.0
33143,CO-ADD:0285011,5.56,o1c(c2ccc(cc2)Oc(cc3)ccc3c4nnc(c(ccc(c5[N+](=O)[O-])C)c5)o4)nnc1c(ccc(c6[N+](=O)[O-])C)c6,0.0
33144,CO-ADD:0285472,5.56,n1c2c(sc1c3ccc(cc3)NCc(cc4)ccc4OCc(cc5)ccc5Cl)ccc(C)c2,0.0
33145,CO-ADD:0285425,5.56,N1(c2ccccc2)C(c3ccc(cc3)Cl)C(=C(Nc4ccccc4)C1=O)CC(O)=O,0.0
33146,CO-ADD:0285441,5.56,c1(n(C)ncc1[N+](=O)[O-])C(=O)n2c(C)cc(C)n2,0.0
33147,CO-ADD:0288691,5.56,n(C(C)C)(c(cn1)C)c1CCNC(=O)OC(C)(C)C,0.0
33148,CO-ADD:0299705,5.56,n12c(S\C(=C/c(cc3)ccc3NC(C)=O)\C1=O)nc(cc(Br)cn4)c24,0.0
33149,CO-ADD:0288854,5.56,C(Cn1cnc([N+](=O)[O-])c1)(NCC#C)=O,0.0
33150,CO-ADD:0299587,5.56,S(=O)(=O)(c1ccc(cc1)CCNC(C)=O)N2CCc(c3C2)cccc3,0.0
33151,CO-ADD:0299764,5.56,N1(c2ccccc2)C(=O)c3c(N=C1SC(C)C(=O)Nc(cc4)ccc4OCC)cccc3,0.0
33152,CO-ADD:0291042,5.56,S(NCCCN(CC1)CCO1)(=O)(=O)c2c(OC)ccc(Br)c2,0.0
33153,CO-ADD:0299708,5.56,C(=CC(\C=C\c(ccc1c2ccccc2F)o1)=NC3=O)(C(F)(F)F)N3,0.0
33154,CO-ADD:0288706,5.56,C(CN)n1c(ncc1C)C2CCC2.Cl.Cl,0.0
33155,CO-ADD:0290594,5.56,c12c(nnc(SC(CC)C(=O)Nc(cc3)ccc3S(N)(=O)=O)n1)c(c4n2C)cc(cc4)Br,0.0
33156,CO-ADD:0295152,5.56,N1(CCOc(cc2)ccc2C(C)(C)C)C(=O)c3c(cccc3)C1=O,0.0
33157,CO-ADD:0295127,5.56,N(C(O)=C1CCC[Si](C)(C)C)=C2N(C1=O)CCCS2,0.0
33158,CO-ADD:0292693,5.56,S(=O)(=O)(N(C)C)N(CC1)CCN1c2c(cccc2[N+](=O)[O-])Cl,0.0
33159,CO-ADD:0295081,5.55,N1([C@H]2c3ccc(cc3)OC)N(CCC1)[C@H]([C@@H]2C#N)C#N,0.0
33160,CO-ADD:0292469,5.55,C(=O)(C1CC1)Nc2ccc(cn2)Cl,0.0
33161,CO-ADD:0292431,5.55,c1(cn(c(C)n1)CC(N)=O)[N+](=O)[O-],0.0
33162,CO-ADD:0292805,5.55,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N(CC2)CCN2C(OCC)=O,0.0
33163,CO-ADD:0294927,5.55,C(OCCSC(C)(C)C)(=O)Nc(cc1)ccc1Cc(cc2)ccc2NC(OCCSC(C)(C)C)=O,0.0
33164,CO-ADD:0295154,5.55,c(NC(C)(C)C)(nc(NN)nc1Nc(cccc2[N+](=O)[O-])c2)n1,0.0
33165,CO-ADD:0295792,5.55,S(N)(=O)(=O)c1ccc(cc1)NC(CSc2nc(C)cc(C)c2C#N)=O,0.0
33166,CO-ADD:0293341,5.55,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(=O)Nc2cc(C)ccc2C)C1c3ccc(cc3)Cl,0.0
33167,CO-ADD:0259705,5.55,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c4cc(Cl)ccc4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
33168,CO-ADD:0257243,5.55,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4)ccc4OC)\C1=O)=NC(C)=C2C(C)=O,0.0
33169,CO-ADD:0259508,5.55,N(c1ccccc1C)(C(=O)\C(=C/c(cc2OCC)cc(c2O)Br)\C(N3c4ccccc4C)=O)C3=O,0.0
33170,CO-ADD:0259606,5.55,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n1,0.0
33171,CO-ADD:0259838,5.55,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(cc4)cc(c4OC(=O)c5ccc(cc5)Cl)OC,0.0
33172,CO-ADD:0259663,5.55,C(SCC1(CS2)OCCO1)(SC(S3)=S)=C23,0.0
33173,CO-ADD:0283876,5.55,C12=C(CC(c3ccc(cc3)OC)CC1=O)NC(C)=C(C#N)C2c4cccc(F)c4,0.0
33174,CO-ADD:0277701,5.55,C(F)(F)(C(F)F)C(NCCN=C1c2cc(C)ccc2O)=C1,0.0
33175,CO-ADD:0283914,5.55,n1nc(c2n1CNc3nonc3C(O)=O)cccc2,0.0
33176,CO-ADD:0283273,5.55,N1(Cc(cc2)ccc2Cl)\C(=N\c3ccccc3)\SC(C(O)=O)CC1=O,0.0
33177,CO-ADD:0284522,5.55,N(CCN1C(CC)=O)(C(=O)c(cc2)ccc2[N+](=O)[O-])C1c3ccccc3,0.0
33178,CO-ADD:0260160,5.55,n1c[nH]nc1SCc2c(C)ccc(cccc3)c23,0.0
33179,CO-ADD:0259345,5.55,c1(NC(C)=O)nnc(CSCc2ccccc2)s1,0.0
33180,CO-ADD:0259569,5.55,C1(NC(CSc2sc3c(ccc(c3)NC(=O)c4ccccc4C)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
33181,CO-ADD:0287213,5.55,C(/Sc1n2c3c(cccc3)n1)(\C2=O)=C(/Sc(c45)ccc(c6ccccc6)c4)\N5C,0.0
33182,CO-ADD:0289198,5.55,C(=O)(c1ccc(cc1)OCC(CCCN2)C2)N3CCC(CC3)C.Cl,0.0
33183,CO-ADD:0288975,5.55,S1(=O)(=O)c2c(ccc(Cl)c2)Oc(nccn3)c3N1C,0.0
33184,CO-ADD:0289238,5.55,n1c(CCOCC(CCO2)CC2)noc1C(C3)CN3.Cl,0.0
33185,CO-ADD:0288481,5.55,n1(CC(CCCN2)C2)c(C)cnc1c(cc3)ccn3.Cl.Cl.Cl,0.0
33186,CO-ADD:0288999,5.55,N12C(=NCC1)c(cccc3C)c3Oc(cc4[N+](=O)[O-])c2nc4,0.0
33187,CO-ADD:0299852,5.55,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c3ccc(cc3OC)OC)\C1=O)=O,0.0
33189,CO-ADD:0291887,5.55,c1(NC(COc2c(Cl)ccc(Cl)c2)=O)sc(c3c1C(OC)=O)CCCC3,0.0
33190,CO-ADD:0292166,5.55,N(CNC(c1ccccc1)=O)(C=C(C)C(N2)=O)C2=O,0.0
33191,CO-ADD:0292147,5.55,C(C(OC)=O)(=C(C)NC(=C1C(OC)=O)C)C1c2cccc(F)c2,0.0
33192,CO-ADD:0285821,5.55,C(=S)(NC(c1cccs1)C=C2c3ccc(cc3)Br)N2,0.0
33193,CO-ADD:0286370,5.55,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C)F,0.0
33194,CO-ADD:0286346,5.55,P(c1ccccc1)(c2ccccc2)(=O)Oc(cccc3P(c4ccccc4)(c5ccccc5)=O)c3,0.0
33195,CO-ADD:0288882,5.55,c1(nc(c(n1C2CCN(C(NC(C)C)=O)CC2)C)[N+](=O)[O-])C,0.0
33196,CO-ADD:0287379,5.55,N12C(NC(=O)c(c3c(CCCCC3)s4)c14)=C(C(c5ccccc5C)C6=C2CC(C)(C)CC6=O)C#N,0.0
33197,CO-ADD:0286820,5.55,N1(Nc2ccccc2)C(=O)OC(C)(CC)C1(C)O,0.0
33198,CO-ADD:0291027,5.55,S(=O)(=O)(c1cc(C)ccc1OC)n2c3c(nc2)cccc3,0.0
33199,CO-ADD:0287374,5.55,C1(c2ccc(cc2)SC)N(c3ccc(cc3)C)CCN1c4ccc(cc4)C,0.0
33200,CO-ADD:0285527,5.55,N1(c2ccc(cc2Br)Br)C(=O)CC(N(CCCC3C(OCC)=O)C3)C1=O,0.0
33201,CO-ADD:0299582,5.55,c1(C(O)=O)c2c(cccc2)nc(c3ccccc3)c1SCC,0.0
33202,CO-ADD:0285764,5.55,C(C#N)(C#N)(c1c2c([nH]c1C)cccc2)C3C(=O)c(c4C3=O)cccc4,0.0
33203,CO-ADD:0292093,5.55,S(C1=S)C(SCC(=O)c2ccc(cc2)Cl)=C(S1)SCC(=O)c3ccc(cc3)Cl,0.0
33204,CO-ADD:0290587,5.55,C(F)(F)(C(F)F)C(O)(c1ccccc1)CC(=O)\C=C\c2ccccc2,0.0
33205,CO-ADD:0291849,5.55,c1(S2)n(c3c(cccc3)n1)C(NC2(c4ccccc4)C(F)(F)F)=O,0.0
33206,CO-ADD:0285447,5.55,c12c(c3c(cccc3)OC1c4ccccc4)c(c(c5ccc(cc5)OC)n2C)C,0.0
33207,CO-ADD:0299175,5.55,[nH]1c(C)nnc1SCc2ccccc2,0.0
33208,CO-ADD:0295695,5.55,C(O)(C(F)(F)F)(C(F)(F)F)c1cc(ccc1N(C)C(=O)c2cccs2)C(O)(C(F)(F)F)C(F)(F)F,0.0
33209,CO-ADD:0293217,5.55,N(S(=O)(=O)c1ccc(c2c1)cccc2)(S(=O)(=O)c3ccc(c4c3)cccc4)C5=C(C)N(N(c6ccccc6)C5=O)C,0.0
33210,CO-ADD:0292545,5.55,N(C)(C(C)CC(=N1)NNC(c2ccccc2)=O)c3c1cccc3,0.0
33211,CO-ADD:0295069,5.55,N1C(c2cccc(Br)c2)SCC1C(O)=O,0.0
33212,CO-ADD:0295638,5.55,n(c(cc1)ccc1N(C)C)(c2C)c(C)cc2\C=C(/SC(N3)=S)\C3=O,0.0
33213,CO-ADD:0294474,5.55,C(=N\O)(/C1=O)\C(C(C)(C)C)=NO1,0.0
33214,CO-ADD:0292449,5.55,c12c(C(N(C)C(=O)N1C)=O)n(c(N3)n2)CC(=N3)c4ccc(cc4)Br,0.0
33215,CO-ADD:0259711,5.55,N1(C2c3cccs3)C(S\C(=C/c(ccc(c4OC)OCc5ccccc5Cl)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
33216,CO-ADD:0259919,5.55,c1(Sc2ccc(C=O)o2)nnc(c3ccccc3)n1c4ccccc4,0.0
33217,CO-ADD:0258471,5.55,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)\C=C(/Cl)\Cl,0.0
33218,CO-ADD:0277502,5.55,c12c(n(c(SCc3c(C)ccc(cccc4)c34)n1)C)C(N(C)C(=O)N2C)=O,0.0
33219,CO-ADD:0258849,5.55,c1(ccn(C)n1)C(=O)NNC(c2ccccc2)=O,0.0
33220,CO-ADD:0257306,5.55,c1(c(OC)ccc(\C(\C)=N\N)c1)CN2CCCCC2,0.0
33221,CO-ADD:0259820,5.55,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c3cccc(Oc4ccccc4)c3)=O,0.0
33222,CO-ADD:0257620,5.54,N1(C2c3cccs3)C(S\C(=C\c4ccccc4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
33223,CO-ADD:0259958,5.54,c1(SCC(=O)Nc(cc2)ccc2[N+](=O)[O-])sc3c(ccc(c3)NC(=O)c(ccc(c4Cl)Cl)c4)n1,0.0
33224,CO-ADD:0259634,5.54,C(=O)(NC1CC1)C(=O)Nc(cc2)ccc2OCC,0.0
33225,CO-ADD:0277393,5.54,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(c(cccc3)c3n4Cc5ccccc5C#N)c4)\N2C6CCCCC6,0.0
33226,CO-ADD:0257943,5.54,C(OC)(=O)c1ccc(cc1)NC(=O)CCN2CCCC2,0.0
33227,CO-ADD:0290945,5.54,n1(c(C)cc(C)n1)C(Nc2ccc(cn2)Cl)c3ccc(Br)s3,0.0
33228,CO-ADD:0292065,5.54,C(/SC(N1N)=S)(\C1=O)=C(/SC(=C2C)C)\N2CC,0.0
33229,CO-ADD:0288728,5.54,c(n1Cc2sc(nn2)C(Nc3cc(F)c(F)cc3)=O)nc([N+](=O)[O-])c1,0.0
33230,CO-ADD:0289011,5.54,c1(C(=O)Nc2cccc(F)c2)sc(nn1)CCCC(O)=O,0.0
33231,CO-ADD:0288498,5.54,c1(C(C2)CN2)ncc(C)n1C3CC3,0.0
33232,CO-ADD:0288885,5.54,c1(C)n(CCNC(C(F)(F)F)=O)c(c(n1)[N+](=O)[O-])C,0.0
33233,CO-ADD:0288450,5.54,c1(C(CC2)CCN2)n(CCC)c(cn1)C.Cl.Cl,0.0
33234,CO-ADD:0288458,5.54,c1(C2CCCCN2)n(CCC)c(cn1)C.Cl.Cl,0.0
33235,CO-ADD:0288487,5.54,c1(C(C2)CN2)ncc(C)n1Cc3ccccc3,0.0
33236,CO-ADD:0286159,5.54,c1(SCc2ccc(c3c2cccc3)F)oc(c4n1)cccc4,0.0
33237,CO-ADD:0285129,5.54,c12c(nnc(SC(CC)C(=O)Nc3nnc(C)s3)n1)c(c4n2C(C)C)cccc4,0.0
33238,CO-ADD:0291165,5.54,c1(OC(N)=C(C2c(cco3)c3)C#N)c2c(n[nH]1)C,0.0
33239,CO-ADD:0290826,5.54,n1(c2c(nn1)cc(Cl)cc2)S(=O)(=O)c3ccc(c(C)c3)C,0.0
33240,CO-ADD:0291437,5.54,c1(c2c(sc1NC(=O)c3ccco3)CCCC2)C(=O)Nc(cc4)ccc4Br,0.0
33241,CO-ADD:0292141,5.54,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c3ccc(cc3Cl)Cl,0.0
33242,CO-ADD:0291485,5.54,n1(n2)c(cc2C(=O)N(CC3)CCO3)nc4c(CCc(cccc5)c45)c1C(F)(F)F,0.0
33243,CO-ADD:0292135,5.54,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3)ccn3,0.0
33244,CO-ADD:0299522,5.54,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(ccs5)c5)cccc4,0.0
33245,CO-ADD:0291685,5.54,c1(\C(\CCC2)=N\OC(=O)c3ccccc3Cl)c2oc(C(OCC)=O)c1C,0.0
33246,CO-ADD:0291701,5.54,c1(c(ccc(c2NC(=O)c(cc3)ccc3[N+](=O)[O-])C)c2)[nH]c(c4n1)cccc4,0.0
33247,CO-ADD:0291973,5.54,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4)ccc4[N+](=O)[O-])cccc3,0.0
33248,CO-ADD:0287672,5.54,N1(c(ccc(c2C(OC)=O)Cl)c2)C(=O)C(C3C1=O)C(C=C4)\C(\C34)=C(\C)/C,0.0
33249,CO-ADD:0287932,5.54,N1(NC(=O)c(ccc(c2C3=O)C(N3c4ccc(cc4)Sc(cc5)ccc5[N+](=O)[O-])=O)c2)C(=O)c6c(cccc6)C1=O,0.0
33250,CO-ADD:0287284,5.54,C(C#N)(C(c1ccc(cc1)C)CC(N2)=O)=C2SCC(OCc3ccccc3)=O,0.0
33251,CO-ADD:0287316,5.54,c(ccc1c2ccccc2Cl)(C(=S)N(CC3)CCN3c4ccccc4)o1,0.0
33252,CO-ADD:0287696,5.54,C1(c(cc(C)cc2)c23)=C(C(N3Cc4ccccc4)(C)C)SN(c5ccc(c(OC)c5)OC)C1=S,0.0
33253,CO-ADD:0286582,5.54,C1(C)(C(=O)NNc2ccccc2)CC1(Br)Br,0.0
33254,CO-ADD:0299990,5.54,C1(=Cc2c(OC1=N)cccc2)C(=O)Nc(cc3)ccc3C,0.0
33255,CO-ADD:0286599,5.54,N1(C2c3cccs3)C(S\C(=C\c4c5c([nH]c4C)cccc5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
33256,CO-ADD:0286632,5.54,C(/Nc1c(C)ccc(Cl)c1)(\C(F)(F)F)=C\C(c2ccccc2)=O,0.0
33257,CO-ADD:0291790,5.54,N1(c2ccc(cc2)F)C(=O)\C(=C\c(ccc(c3)N(CC)CC)c3OC)\C(NC1=S)=O,0.0
33258,CO-ADD:0285649,5.54,n1(c(ccc2C(F)(F)F)nnc1c3ccc(cc3Cl)Cl)c2,0.0
33259,CO-ADD:0295631,5.54,n12c(ccc(Cl)n1)nnc2C(F)(F)F,0.0
33260,CO-ADD:0293430,5.54,c1(C(OCC)=O)c(cc(O)cc2)c2n(c3ccccc3)c1CN(CC4)CCC4(c5ccccc5)C(OCC)=O,0.0
33261,CO-ADD:0293079,5.54,C(C#N)(C1c2ccc(cc2)OC(=O)c3ccccc3Cl)=C(N)OC(CCCC4=O)=C14,0.0
33262,CO-ADD:0294923,5.54,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)OCCCC,0.0
33263,CO-ADD:0293314,5.54,c(N)(c1)cc(cc1N)N,0.0
33264,CO-ADD:0258130,5.54,C(C(c1ccccc1)=O)(C(=O)C(N2c(cccc3C(F)(F)F)c3)=O)=C2C(OC)=O,0.0
33265,CO-ADD:0257915,5.54,N1(c2ccccc2C)C(=O)\C(=C\c(cc(n3c4ccc(cc4)F)C)c3C)\C(NC1=S)=O,0.0
33266,CO-ADD:0257292,5.54,C(=O)(N\N=C\c(cc1)ccc1C(C)C)C(NC)=O,0.0
33267,CO-ADD:0284026,5.54,S(=O)(=O)(c(cccc1C(=O)N(c2c3cccc2)c4c(S3)cccc4)c1)N5CCCCCC5,0.0
33268,CO-ADD:0290775,5.54,N1(CC=C)C(=O)\C(\SC1=S)=C\c2c(OCC)ccc(cccc3)c23,0.0
33269,CO-ADD:0291177,5.54,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(=O)Nc(cc4)c(Cl)cc4[N+](=O)[O-])c1Cl,0.0
33270,CO-ADD:0291426,5.54,COc(c(OC)c1)ccc1C(N2C)=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
33271,CO-ADD:0292050,5.54,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c3c(N=C1c4ccccc4)cccc3,0.0
33272,CO-ADD:0285777,5.54,N(C(=O)\C(\S1)=C/c2cccc(O)c2)=C1N3CCCC3,0.0
33273,CO-ADD:0285329,5.54,S(N)(=O)(=O)c1ccccc1C(=O)N(CC2)CCN2C(=O)c3ccccc3S(N)(=O)=O,0.0
33274,CO-ADD:0286512,5.54,c(C#N)(c1C2CCCCC2)c(SCC(N)=O)nc(N)c1C#N,0.0
33275,CO-ADD:0286137,5.54,S(=O)(=O)(c1ccc(c(Cl)c1)Cl)N2CCCC2C(O)=O.O,0.0
33276,CO-ADD:0286361,5.54,C1(c2ccccc2)(CCN(CC1(C)C)C)OC(c3ccccc3)=O.Cl,0.0
33277,CO-ADD:0286161,5.54,N1(C)C(=O)c2c(N=C1SCc3ccc(c4c3cccc4)F)cccc2,0.0
33278,CO-ADD:0291834,5.53,C(/c1c(N2CC(OCC)=O)cccc1)(\C2=O)=C(\SC(N3NC(=O)c(cccn4)c4)=S)/C3=O,0.0
33279,CO-ADD:0291562,5.53,c(C#N)(c1c2ccco2)c(SCC(OC)=O)nc(N)c1C#N,0.0
33280,CO-ADD:0291586,5.53,C(C#N)(C(c1ccc(cc1)C)CC(N2)=O)=C2SCC(=O)Nc(cc3)ccc3Br,0.0
33281,CO-ADD:0291060,5.53,c1(sc(c2n1)cccc2C)NC(=O)c3c(cccc3[N+](=O)[O-])C(O)=O,0.0
33282,CO-ADD:0291125,5.53,C(C(c1ccccc1)=O)(C2c(cccn3)c3)=C(O)C(N2c4ccccn4)=O,0.0
33283,CO-ADD:0287942,5.53,C(CCc1ccccc1O)(=O)NCc(cc2)ccc2OC,0.0
33284,CO-ADD:0287318,5.53,c1(c2c(n(C)c1)cccc2)C(C(Cl)(Cl)Cl)NS(c3ccccc3)(=O)=O,0.0
33285,CO-ADD:0289075,5.53,c1(C(=O)Nc(ccc(c2F)F)c2)sc(nn1)CCC(O)=O,0.0
33286,CO-ADD:0291266,5.53,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(cc4F)F,0.0
33287,CO-ADD:0286549,5.53,C(=N/c(cc1)ccc1OC)(/SC=C2c(cc3)ccc3c4ccccc4)\N2CCCO.Br,0.0
33288,CO-ADD:0286618,5.53,C1(C(=O)NNC(c2ccccc2)=O)=Cc3c(OC1=O)ccc(Br)c3,0.0
33289,CO-ADD:0285596,5.53,C1(C(=O)Nc(cc2)ccc2OCC)C3C1\C=C/CCCC3,0.0
33290,CO-ADD:0288652,5.53,C(OC(C)(C)C)(=O)N(CCC(C1)n2c(C3OCCC3)ncc2C)C1,0.0
33291,CO-ADD:0285320,5.53,C(=O)(Nc(cc1)ccc1Oc2cccc(C)c2)C3CCCCC3C(O)=O,0.0
33292,CO-ADD:0290816,5.53,c1(C2c3cc(Br)ccc3F)c(n[nH]c1c4ccccc4)OC(N)=C2C#N,0.0
33293,CO-ADD:0290779,5.53,N1C(=O)\C(\SC1=N)=C/c(cc2Br)cc(c2OC)Br,0.0
33294,CO-ADD:0290421,5.53,C(/C#N)(\C(=O)Nc(cc1)ccc1C)=C/c2cc(Br)cc(I)c2O,0.0
33295,CO-ADD:0290698,5.53,C(CSCc1ccccc1)(NCCc2ccccc2)=O,0.0
33296,CO-ADD:0293677,5.53,[nH](c(ccc(c1)C(O)=O)c1c2CCN)c2C.Cl,0.0
33297,CO-ADD:0295486,5.53,C1(OC(C)=O)C(CCC(OC(C)=O)C1[N+](C)(C)C)[N+](C)(C)C.[I-].[I-],0.0
33298,CO-ADD:0293444,5.53,N1(CCC(O)=O)C2C(NC1=O)NC(=O)N2,0.0
33299,CO-ADD:0293426,5.53,c1(Nc2ccccc2C(O)=O)nc(C)cc(C)n1,0.0
33300,CO-ADD:0294664,5.53,c1(C(N)=O)oc(c2c1N)cccc2,0.0
33301,CO-ADD:0293744,5.53,n12c(cc(c3cccc(Br)c3)n1)nc(cc2C(F)(F)F)c4ccccc4,0.0
33302,CO-ADD:0294015,5.53,S(=O)(=O)(c1ccc(cc1)C)NC(\C(\c2c3cccc2)=C(/C#N)\C#N)=N3,0.0
33303,CO-ADD:0296062,5.53,C(C(c1ccccc1)=O)(C2c3ccc(cc3OC)OC)=C(O)C(N2CCCOC)=O,0.0
33304,CO-ADD:0295869,5.53,C1(C#N)=C(N)OC(=C2C1c3ccc(c(OC)c3OC)OC)CCCC2=O,0.0
33305,CO-ADD:0283249,5.53,c12c(cccn1)cccc2SC,0.0
33306,CO-ADD:0259638,5.53,N1=C(NC(C)=O)S\C(=C\c(cc2OC)cc(c2O)I)\C1=O,0.0
33307,CO-ADD:0284845,5.53,C1(O)(C(C2)CCN(C2)C13)ONC3c4ccccn4.Cl,0.0
33308,CO-ADD:0283612,5.53,S(=O)(=O)(N(CC1)CCO1)c2csc(C(=O)Nc(cc3)ccc3C(O)=O)c2,0.0
33309,CO-ADD:0284492,5.53,c1(NC(COC(=O)\C=C\c(cc2)ccc2[N+](=O)[O-])=O)sc3c(ccc(OC)c3)n1,0.0
33310,CO-ADD:0290333,5.53,c1(c(C)on2)c2CC(C)(O)C(C(C)=O)C1c3cccc(F)c3,0.0
33311,CO-ADD:0290310,5.53,N12C(S\C(=C\c(cc3)ccc3N(C)C)\C1=O)=NC(C)=C(C(C)=O)C2c4c(OC)ccc(cccc5)c45,0.0
33312,CO-ADD:0290358,5.52,c1(N\N=C(/c2ccc(cc2)OC)\N=Nc(cc3)ccc3CCCC)c(Cl)nc4c(cccc4)n1,0.0
33313,CO-ADD:0289288,5.52,n1(Cc2ccccc2)cnnc1C(CC3)CCN3,0.0
33314,CO-ADD:0288432,5.52,c1(C(=O)Nc(cc2)ccc2C)sc(nn1)CCC(O)=O,0.0
33315,CO-ADD:0289066,5.52,c1(C(=O)N2CCC(CC2)C(O)=O)nn(c(CCN3C(CC)=O)c1C3)C,0.0
33316,CO-ADD:0289077,5.52,c(n1)(c(cn1c2ccccc2)CCC(=O)O)c(cc(OC)cc3)c3OC,0.0
33317,CO-ADD:0288640,5.52,C(OC(C)(C)C)(N(CC1Cn2c(C3CC3)ncc2C)C1)=O,0.0
33318,CO-ADD:0291962,5.52,N1(CC)C(=O)\C(\SC1=S)=C\c(c(cccc2)c2n3C)c3,0.0
33319,CO-ADD:0291915,5.52,n(c1ccc(cc1)C)(c2C)c(C)cc2\C=C(\C3=O)/Sc(c34)cccc4,0.0
33320,CO-ADD:0286505,5.52,S(c1ccccc1)(=O)(=O)N(CCc2c3c4c([nH]2)cccc4)C3,0.0
33321,CO-ADD:0285715,5.52,c(c1c(s2)CCC1)(C3=O)c2N=C(SCC=C)N3c4ccc(cc4)C,0.0
33322,CO-ADD:0285795,5.52,N12c(c(C3C(CC=C3)C1)c(C)cc4C)c4C5C(CC=C5)C2C(O)=O,0.0
33323,CO-ADD:0291218,5.52,n1c(cc(C)cc2C)c2oc1c(ccc(c3NC(=O)c4ccc(cc4Cl)Cl)C)c3,0.0
33324,CO-ADD:0291179,5.52,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4Cl)c1Cl,0.0
33325,CO-ADD:0291254,5.52,C(/NC(=O)c(ccs1)c1)(=C\c2ccco2)\C(=O)N3CCCC3,0.0
33326,CO-ADD:0291514,5.52,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(=O)NC(C)c4ccccc4)c1Cl,0.0
33327,CO-ADD:0291581,5.52,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2Br)(C(=O)Nc3ccccc3OC)C1c4ccccc4Cl,0.0
33328,CO-ADD:0288532,5.52,n(CC(CCN1)CC1)(c(C)cn2)c2C.Cl.Cl,0.0
33329,CO-ADD:0287363,5.52,c1(c(cccc1Cl)F)COc2cccc(c2)C=O,0.0
33330,CO-ADD:0286465,5.52,c1(cc(Br)ccc1NC(=O)c2cccc(OCCC)c2)C(O)=O,0.0
33331,CO-ADD:0286529,5.52,N1C(=O)\C(\SC1=O)=C/c2cc(OC)c(cc2[N+](=O)[O-])OC,0.0
33332,CO-ADD:0286466,5.52,c1(c2cccc(c2)NC(CC(C)C)=O)[nH]c(c3n1)cccc3,0.0
33333,CO-ADD:0286644,5.52,N1C(=O)\C(\SC1=S)=C/c(cc(OCO2)c2c3)c3Br,0.0
33334,CO-ADD:0291366,5.52,c1(NC(COC(CCC(=O)Nc2ccccc2C(OC)=O)=O)=O)sc(c(ccc3C(OCC)=O)n1)c3,0.0
33335,CO-ADD:0286971,5.52,N1(c(cc2)ccc2C(C)=O)C(=O)C(CC1=O)SC(=N)N\N=C(\C)/c3cccs3,0.0
33336,CO-ADD:0286798,5.52,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(ccc(c4OC)OCC(=O)Nc5cc(C)ccc5C)c4)\C1=O,0.0
33337,CO-ADD:0293638,5.52,c1(S\C(\C(C)=O)=C(/C)\O)nnc(c2ccc(cc2)Cl)n1c3ccccc3,0.0
33338,CO-ADD:0294301,5.52,c12c([nH]nc1c3ccc(c(OC)c3)OC)OC(=C(C#N)C24c5c(NC4=O)cccc5)N,0.0
33339,CO-ADD:0294381,5.52,c1(c2c(sc1NC(Cc3ccccc3)=O)CCCC2)C(=O)Nc(cc4)ccc4OCC,0.0
33340,CO-ADD:0294405,5.52,c(nc(c1ccc(cc1)Cl)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(CC4)CCO4,0.0
33341,CO-ADD:0294284,5.52,c1(SCCOc2ccccc2OC)nc(c3n1CC(CO)O)cccc3,0.0
33342,CO-ADD:0294089,5.52,c1(NC(COc2cc(C)ccc2C(C)C)=O)sc(c3c1C#N)CCCCC3,0.0
33343,CO-ADD:0294770,5.52,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(OCC)c(cc5Br)OC(C)=O,0.0
33344,CO-ADD:0294729,5.52,S(=O)(=O)(c1ccc(cc1)NC(CSc2nnc[nH]2)=O)Nc3nc(C)cc(C)n3,0.0
33345,CO-ADD:0293191,5.52,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OCC(=O)Nc(ccc(c5C)C)c5)c4)\C1=O,0.0
33346,CO-ADD:0293015,5.52,c1(sc(cc1C(OCC)=O)CC)NC(=O)c(ccc(c2[N+](=O)[O-])N(CC3)CCN3Cc4ccccc4)c2,0.0
33347,CO-ADD:0294819,5.52,c1(c(C)oc(C(C)(C)C)c1)C(=O)N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-],0.0
33348,CO-ADD:0294803,5.52,c1(nccn1C)C(O)c2cc(OC)ccc2OC,0.0
33349,CO-ADD:0294903,5.52,[N+](=O)([O-])c1c(C)ccc(C(=O)COC(=O)c2cccc(C)c2O)c1,0.0
33350,CO-ADD:0292739,5.52,N1(CCC(Nc(cccc2)c12)=O)C(c3ccccc3)=O,0.0
33351,CO-ADD:0294087,5.52,n1(C)cnnc1SCC(=O)Nc(cc2)ncc2[N+](=O)[O-],0.0
33352,CO-ADD:0277674,5.52,C(=O)(c1ccc(c(F)c1)F)N(C2CCCCC2)C3CCCCC3,0.0
33353,CO-ADD:0284011,5.51,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4OC)cc(c4OCC#N)Br)\C1=O,0.0
33354,CO-ADD:0258405,5.51,s1c(C2CCCCC2)nnc1NC(=O)c3ccccc3Cl,0.0
33355,CO-ADD:0258445,5.51,C(C1)(=Nc(cccc2)c2N=C1c3ccc(cc3)OC)C(F)(F)C(F)F,0.0
33356,CO-ADD:0258894,5.51,c1(c(C)cc(cc1Cl)C)NC(=O)\C=C/C(O)=O,0.0
33357,CO-ADD:0257726,5.51,N1(c2sccn2)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
33358,CO-ADD:0260119,5.51,N1(Cc(cc2)ccc2Cl)\C(=N\c(cc3)ccc3F)\SC=C1c4cc(C)ccc4C.Br,0.0
33359,CO-ADD:0284071,5.51,C12(c3c(NC1=O)cccc3)C4=C(CC(C)(C)CC4=O)OC(N)=C2C(=O)OC(C)C,0.0
33360,CO-ADD:0288680,5.51,C(=O)(OC(C)(C)C)N(CCCC1c(n(CCOC)c2C)nc2)C1,0.0
33361,CO-ADD:0288818,5.51,c1(ccncc1)C(NCC#C)=O,0.0
33362,CO-ADD:0290280,5.51,C(=N\c1ccccc1)(/S\C(\C2=O)=C/c3c(cccc3Cl)F)\N2C4CCCC4,0.0
33363,CO-ADD:0292083,5.51,n1(c2c(nc1C)cccc2)S(=O)(=O)c3ccc(cc3)C,0.0
33364,CO-ADD:0289276,5.51,c1(C(OCC)=O)c(C)c(c(C)[nH]1)CNCc2ccccc2Cl.Cl,0.0
33365,CO-ADD:0290671,5.51,S(=O)(=O)(CC(OC)=O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])c1NC(OC)=O,0.0
33366,CO-ADD:0285204,5.51,c1(NC(=O)c2cccc(C)c2)n(c3ccccc3)ncc1C(=O)N4CCCCC4,0.0
33367,CO-ADD:0285216,5.51,C(=C(\C)/NNC(=O)c1cccs1)(/C(=O)C2)\C(=O)CC2(C)C,0.0
33368,CO-ADD:0299367,5.51,n12c(nc(C)cc1C)nnc2c3ccccc3C,0.0
33369,CO-ADD:0291662,5.51,c1(n2cccc2)sc(c(C)c1C(NN)=O)C,0.0
33370,CO-ADD:0291670,5.51,c1(n2cccc2C=O)sc(c3c1C(O)=O)CCCC3,0.0
33371,CO-ADD:0287397,5.51,n1(C)cnnc1SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc(ccc(c4Cl)C)c4)c2,0.0
33372,CO-ADD:0299146,5.51,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5)cc(c5OC(C6CCCCC6)=O)OCC)cccc4,0.0
33373,CO-ADD:0299154,5.51,c1(SCC(=O)Nc2ccccc2SC)nccn1C,0.0
33374,CO-ADD:0285443,5.51,C(/C1=O)(=C\c2ccccc2OCc(cc3)ccc3C)\C(c4ccccc4)=NO1,0.0
33375,CO-ADD:0286805,5.51,n12c(S\C(=C\c(cc3OC)cc(c3OC4=O)S4)\C1=O)nc(cc(C)c(C)c5)c25,0.0
33376,CO-ADD:0285336,5.51,n1(Cc2ccccc2)c(COc3ccccc3C)nnc1SC(C)C(O)=O,0.0
33377,CO-ADD:0286830,5.51,C1(C(=O)Nc2c(C)cc(cc2C)C)C(C13)C(CC4)CC34,0.0
33378,CO-ADD:0286746,5.51,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCC2)C(=O)N4CCCCC4,0.0
33379,CO-ADD:0288757,5.51,c(C)(c1)n(c(n1)C)C2CN(C(c3oc([N+](=O)[O-])cc3)=O)CCC2,0.0
33380,CO-ADD:0292060,5.51,C(=O)(Nc(cc1)ccc1Oc(cc2)ccc2C#N)c3ccco3,0.0
33381,CO-ADD:0294454,5.51,C1(CCCCC1)(C(=O)OC(C23CCCCC2)c4ccc(c(Cl)c4)Cl)C3=O,0.0
33382,CO-ADD:0295839,5.51,c1(c2c(sc1NC(=O)C34CC(CC5C3)CC(C5)C4)CCCC2)C(=O)Nc6ccccc6OCC,0.0
33383,CO-ADD:0294392,5.51,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2C(=O)CN(CC3)CCO3,0.0
33384,CO-ADD:0294303,5.51,c1(NC(=O)c2nn(cc2[N+](=O)[O-])C)nc(c3n1Cc4ccccc4)cccc3,0.0
33385,CO-ADD:0294271,5.51,c1(OC(N)=C(C2c3c(F)c(F)c(c(F)c3F)F)C#N)c2c(n[nH]1)C,0.0
33386,CO-ADD:0294265,5.51,c(\C=N\NC(=O)c1ccoc1C)(c2C)c(C)n(n2)CC,0.0
33387,CO-ADD:0294479,5.51,N1(c2ccc(cc2)OC(F)(Cl)F)C(=O)C(CC1=O)S\C(=N/C)\Nc(cc3Cl)cc(c3O)Cl,0.0
33388,CO-ADD:0293294,5.51,C12(C)C(C)(C)C(CC1OC(=O)C[N+]3(CCCC3)C)CC2.[I-],0.0
33389,CO-ADD:0293080,5.51,[N+](=O)([O-])c1ccccc1C2CC(=O)Nc(ccc(C)c3)c23,0.0
33390,CO-ADD:0295231,5.51,C(C(C)=O)(C1c2ccccc2Cl)=C(O)C(N1Cc3ccco3)=O,0.0
33391,CO-ADD:0296057,5.51,c12c(CCNC1c3ccc(c(OCC)c3)O)cc(c(OC)c2)OC,0.0
33392,CO-ADD:0293812,5.51,N1=C(SCC(=O)c(ccc(c23)OCCO2)c3)NC(C(CCC[Si](C)(C)C)=C1O)=O,0.0
33393,CO-ADD:0257207,5.51,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Cl)c4sc(c5c4C#N)CCCCC5,0.0
33394,CO-ADD:0257901,5.51,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)Nc3ccccc3CC,0.0
33395,CO-ADD:0257622,5.51,[C@]12(C(C)=O)[C@H](N1)CC(C(C34)CC=C(C[C@@H](O)CC5)[C@@]35C)[C@]2(C)CC4,0.0
33396,CO-ADD:0257646,5.51,c1(c(cccc2NC(=O)c(cccc3C(=O)Nc(cccc4c5oc(c6n5)cccc6)c4)c3)c2)oc(c7n1)cccc7,0.0
33397,CO-ADD:0258087,5.51,N12C(S\C(=C\c(cc3)ccc3C)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)ccc4OC,0.0
33398,CO-ADD:0259672,5.51,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)Nc(cccc2C(c3ccccc3)=O)c2,0.0
33399,CO-ADD:0277392,5.5,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3N(C)C)\N2C4CCCCC4,0.0
33400,CO-ADD:0284552,5.5,c1(C(O)c2ccc(c(OC)c2)OC)nccn1Cc3ccccc3,0.0
33401,CO-ADD:0283208,5.5,N1(NC(=CC1=O)NC(=O)c(cccc2[N+](=O)[O-])c2)c3c(Cl)cc(cc3Cl)Cl,0.0
33402,CO-ADD:0257589,5.5,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])C)c1)N(CC2)CCN2c3ccccc3OC,0.0
33403,CO-ADD:0257637,5.5,N1(c2cccc(c2)C(=O)Nc(ccc(c3O)OC)c3)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc(ccc(c5O)OC)c5,0.0
33404,CO-ADD:0258053,5.5,C12(CC3CC(CC(C3)C1)C2)C(=O)O\N=C(/N)\c(cccn4)c4,0.0
33405,CO-ADD:0284532,5.5,C(/c1c(N2)cccc1)(=N\NC(=O)C(=O)Nc(cc3)ccc3Cl)\C2=O,0.0
33406,CO-ADD:0290783,5.5,N1C(CCCC)(c2ccccc2)NN(c3ccccc3)C1=S,0.0
33407,CO-ADD:0290760,5.5,C(/c1c(N2Cc3ccccc3F)cccc1)(=C(\SC(N4)=S)/C4=O)\C2=O,0.0
33408,CO-ADD:0289340,5.5,n1c(CCNC)noc1COc2ccc(C)cc2C.Cl,0.0
33409,CO-ADD:0288899,5.5,c1(nc([N+](=O)[O-])c(n1CC2CCN(C(C3CC3)=O)CC2)C)C,0.0
33410,CO-ADD:0289231,5.5,n1conc1CNC.Cl,0.0
33411,CO-ADD:0288491,5.5,n1(Cc(ccc(c2OC)OC)c2)c(C)cnc1C3CCCCN3.Cl.Cl,0.0
33412,CO-ADD:0288804,5.5,n(cn1)(nc1[N+](=O)[O-])CCCC(=O)NCC#C,0.0
33413,CO-ADD:0289138,5.5,C(=O)(OC(C)(C)C)N1CCC(CC1)C(C)C(O)=O,0.0
33414,CO-ADD:0288934,5.5,n12c(cc(CC)n1)c3c(Oc(cc(C(OC)=O)cn4)c24)cccc3,0.0
33415,CO-ADD:0290413,5.5,N(\C(=C/c(cc1)ccc1OC(=O)c2ccc(cc2)C)\C(O3)=O)=C3c4ccc(cc4)Cl,0.0
33416,CO-ADD:0290442,5.5,c1(N)nc(c2n1CCN(CC3)CCO3)cccc2,0.0
33417,CO-ADD:0290436,5.5,[N+](=O)([O-])c1cc(cc2c1C=Cc3c(ccc(CC)c3)O2)[N+](=O)[O-],0.0
33418,CO-ADD:0285169,5.5,C1(=C(c2c(cccc2)CC1(C)C)N=C(N3Cc4ccccc4)SC)C3=O,0.0
33419,CO-ADD:0291702,5.5,c1(c(ccc(c2NC(=O)c(ccc(c3[N+](=O)[O-])C)c3)C)c2)[nH]c(c4n1)cccc4,0.0
33420,CO-ADD:0290295,5.5,N12C(S\C(=C\c3ccccc3O)\C1=O)=NC(C)=C(C(OCC)=O)C2c4ccc(c(cccc5)c45)OC,0.0
33421,CO-ADD:0285445,5.5,C12(c3c(cccc3)C(=NN1c4ccccc4)c(cc5)ccc5C(C)(C)C)SC(=NN2c6ccc(cc6)C)C(C)=O,0.0
33422,CO-ADD:0290845,5.5,s1c(N)nnc1SCC(=O)Nc2cc(on2)C,0.0
33423,CO-ADD:0290286,5.5,N12C(S\C(=C\c(cccn3)c3)\C1=O)=NC(C)=C(C(C)=O)C2c4ccccc4OC,0.0
33424,CO-ADD:0299515,5.5,C(=S)(NC(c1ccc(cc1)Br)C=C2c3ccccc3)N2,0.0
33425,CO-ADD:0291743,5.5,n1(c2ccc(cc2)I)c(C)c(cc1C)C=O,0.0
33426,CO-ADD:0286811,5.5,C(=N/c(cc1)ccc1OCC)(/SC=C2c3ccc(c4c3)cccc4)\N2C.Br,0.0
33427,CO-ADD:0299955,5.5,c1(scc(c2ccc(cc2)Br)n1)\C(=C(\CCCC3)/C3)\C#N,0.0
33428,CO-ADD:0292183,5.5,C(/c1c(N2CCCCCC)cccc1)(\C2=O)=C(\SC(N3c4cccc(Cl)c4)=S)/C3=O,0.0
33429,CO-ADD:0293442,5.5,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(c(OC)c4)OCc5ccccc5F)c3C#N)C#N,0.0
33430,CO-ADD:0294621,5.5,c(C(OC)=O)(c(C)nc1NC(=O)c(c2)cc(cc2[N+](=O)[O-])[N+](=O)[O-])s1,0.0
33431,CO-ADD:0295298,5.5,N1(c2ccc(cc2)F)C(=O)\C(=C\Nc(cccc3N(C)C)c3)\C(NC1=O)=O,0.0
33432,CO-ADD:0292877,5.5,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc4sc(c5c4C#N)CCCC5)n2,0.0
33433,CO-ADD:0292217,5.5,N1(C2c3cccs3)C(S\C(=C\c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
33434,CO-ADD:0293337,5.5,C(C#N)(C1c2ccccc2Cl)=C(SCC(=O)Nc3cccc(C)c3C)NC(C)=C1C(C)=O,0.0
33435,CO-ADD:0292857,5.5,c1(NC(CSc2sc3c(ccc(OCC)c3)n2)=O)n(c4ccccc4)ncc1C(OCC)=O,0.0
33436,CO-ADD:0292850,5.5,C12(CCC(=NN1c3ccccc3)c4ccccc4)N(c5ccc(cc5)Br)N=C(C(C)=O)S2,0.0
33437,CO-ADD:0293086,5.5,c1(ccc(cc1F)C(CC)=O)N2CCCCCC2,0.0
33438,CO-ADD:0292978,5.5,c1(N(CC2)CCN2CC(O)=O)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
33439,CO-ADD:0295318,5.5,C(C(c(cccc1[N+](=O)[O-])c1)C(C(=O)NC(N2CC=C)=S)C2=O)(C(=O)NC(N3CC=C)=S)C3=O,0.0
33440,CO-ADD:0294828,5.5,N1(c(cc2)ccc2C(OCC)=O)C(=O)c(c3C1=O)ccc(c4ccccc4[N+](=O)[O-])c3,0.0
33441,CO-ADD:0296131,5.5,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(=O)c4ccc(cc4)Br,0.0
33442,CO-ADD:0293978,5.5,c1(CNC(CCl)=O)c(Cl)cc(c(O)c1Cl)CNC(CCl)=O,0.0
33443,CO-ADD:0294489,5.5,C(C(c1ccccc1)=O)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCCC(O)=O)=O,0.0
33444,CO-ADD:0294996,5.5,S(=O)(=O)(Nc(cccn1)c1)c2ccc(c(C)c2Cl)Cl,0.0
33445,CO-ADD:0293050,5.5,c1(SCCOc2ccccc2OC)nc(c3n1CC(O)=O)cccc3,0.0
33446,CO-ADD:0293037,5.5,C1(C(F)(F)F)(C(F)(F)F)C2=C(CCCC2)N(C(N)=C1C#N)c(cc3)ccc3S(=O)(=O)Nc4sccn4,0.0
33447,CO-ADD:0292392,5.5,C(=C/c(ccc1c2ccc(cc2)F)o1)(/C(C)=NN3c4cccc(Cl)c4)\C3=O,0.0
33448,CO-ADD:0293972,5.5,C1(C(OCC)=O)(CS(C)(=O)=O)OC(C(O)=C1S(C)(=O)=O)=O,0.0
33449,CO-ADD:0295531,5.5,N1(c2ccc(cc2)OC)C(C)=Nc3c(ccc(c3)[N+](=O)[O-])C1=O,0.0
33450,CO-ADD:0293853,5.5,[N+](=O)([O-])c1cc(ccc1C(O)=O)C(O)=O,0.0
33451,CO-ADD:0294884,5.5,C1(C2)(CC(CC=C1Cl)(CN2CC(O)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
33452,CO-ADD:0294716,5.5,c1(C(=O)N(CC2)CCO2)c(cc(cc1[N+](=O)[O-])Oc3ccccc3)[N+](=O)[O-],0.0
33453,CO-ADD:0294676,5.5,c1(C(=O)c2cc(OC)ccc2OC)oc(c3c1NC(CCl)=O)cccc3,0.0
33454,CO-ADD:0295511,5.5,C12=C(CC(C)(C)CC1=O)Nc(c(ccc3C(c4ccccc4)=O)NC2c5cccs5)c3,0.0
33455,CO-ADD:0294433,5.5,C(C(OCCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccccc3OCC,0.0
33456,CO-ADD:0293756,5.5,C1(=S)Nc(cccc2)c2C3=C1CCCC3,0.0
33457,CO-ADD:0293526,5.5,C(C(C)=O)(C1c2ccc(cc2)F)=C(O)C(N1CCN(CC3)CCN3)=O,0.0
33458,CO-ADD:0293681,5.5,o(c1c2ccccc2)c(c(cc3)ccc3C(=O)OCC(=O)c4ccc(c(C)c4)C)nn1,0.0
33459,CO-ADD:0293098,5.5,c1(C(=O)Nc2ccccc2OC)c3c(sc1NC(=O)c4cccc(C)c4)CC(C)CC3,0.0
33460,CO-ADD:0293088,5.5,c(cc1C)(c(F)cc1C(C)=O)N(CC2)CCN2C(CC)=O,0.0
33461,CO-ADD:0293069,5.5,C(=N\c(cc1)ccc1OC)(/SC(C(=O)Nc(ccc(c23)OCO2)c3)CC4=O)\N4C,0.0
33462,CO-ADD:0293083,5.49,c1(NC(=O)C2CC2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
33463,CO-ADD:0292630,5.49,C1([N+](=O)[O-])=C(Oc2cccc(C)c2)c3c(N(C)C1=O)cccc3,0.0
33464,CO-ADD:0293915,5.49,C(=O)(NN(C)c1ccccc1)C(c2ccccc2)(c3ccccc3)c4ccc(cc4)OC,0.0
33465,CO-ADD:0293855,5.49,n1(C)c(SCc2ccccc2Br)nnc1c(cc3)ccc3[N+](=O)[O-],0.0
33466,CO-ADD:0294725,5.49,C(N(CC)CC)(=S)Nc(cc1)ccc1C(O)=O,0.0
33467,CO-ADD:0293201,5.49,c1(c(C)nc(cccc2)n12)c3csc(Nc4ccccc4C)n3.Br,0.0
33468,CO-ADD:0294968,5.49,N(\C(=N/c1cccc(C)c1)\C2(N3c4ccc(cc4)C)CCCC2)=C3SCC(O)=O.I,0.0
33469,CO-ADD:0292651,5.49,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc(cccc4C(F)(F)F)c4)n2,0.0
33470,CO-ADD:0293230,5.49,c12c(cc(cc1[N+](=O)[O-])OCC)C3C(C(c4ccccc4F)N2)CC=C3,0.0
33471,CO-ADD:0295981,5.49,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccc(F)c1)Nc2sc(c3c2C#N)CCCC3,0.0
33472,CO-ADD:0295242,5.49,N12C(C(c(cccc3)c13)=O)=C\C(=C/N4CCCCC4)\C2=O,0.0
33473,CO-ADD:0293100,5.49,c12c(c3c(cccc3)o1)nc(c4ccccc4)nc2Oc5cccc(Cl)c5,0.0
33474,CO-ADD:0292703,5.49,C12c(cccc3)c3C(C(C(O)=O)C1C(=O)NCC4(OC)C=CC(OC)O4)c5c2cccc5,0.0
33475,CO-ADD:0293416,5.49,N1(c2ccc(cc2)OC(F)(F)F)C(=O)C(CC1=O)SCCN.Cl,0.0
33476,CO-ADD:0293461,5.49,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)c(cc4)ccc4c5ccccc5)cccc3C,0.0
33477,CO-ADD:0294789,5.49,C1(C#N)(C(NN)=O)C(C1C#N)c2ccc(cc2)F,0.0
33478,CO-ADD:0293330,5.49,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2Br)C1c3ccc(cc3)Cl,0.0
33479,CO-ADD:0294787,5.49,C(CO)(CCNC(C)=O)([N+](=O)[O-])[N+](=O)[O-].Cl,0.0
33480,CO-ADD:0292866,5.49,n1c(c2)c([nH]c1SC)cc(Cl)c2Oc(ccc(c34)cccc3)c4,0.0
33481,CO-ADD:0292326,5.49,n1c(O)cc(nc1SCc2c(C)cc(c(C(C)=O)c2C)C)C,0.0
33482,CO-ADD:0295656,5.49,c12c(c3c(CCCC3)s1)c(nc(c(ccc(c4Br)OCc5cccc(cccc6)c56)c4)n2)O,0.0
33483,CO-ADD:0292779,5.49,S(=O)(=O)(Nc(cccc1C(O)=O)c1)c2cccc(nsn3)c23,0.0
33485,CO-ADD:0292274,5.49,c1(CC)c(C(C)=O)oc(ccc2c3OC(=O)C=C2C)c13,0.0
33486,CO-ADD:0293350,5.49,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccccc5OCCCC)cccc4,0.0
33487,CO-ADD:0292267,5.49,C1(=COc(c2C1=O)ccc(C)c2)C3Nc4c(NC(CC(C)(C)CC5=O)=C35)cccc4,0.0
33488,CO-ADD:0295773,5.49,N1(c2cccc(c2)C(=O)Nc3ccc(cc3F)F)C(=O)c(c4C1=O)cccc4,0.0
33489,CO-ADD:0294937,5.49,n1(c2ccc(cc2)C)nc(c3n1)ccc(NC(=O)c(ccc(c4Br)OCC)c4)c3,0.0
33490,CO-ADD:0294277,5.49,c1(SCc2[nH]c(c(ccc3[N+](=O)[O-])n2)c3)n(C)c4c(cccc4)n1,0.0
33491,CO-ADD:0295684,5.49,C1(C(C)=O)=C(Nc(cc2)ccc2OC)CC(C)(O)C(C(C)=O)C1c3ccc(c(OC)c3)OC,0.0
33492,CO-ADD:0293158,5.49,C12(C#N)C(CCCC3)C3(OC1=N)OCC2(C#N)C#N,0.0
33493,CO-ADD:0292426,5.49,n1(c(ccc(c2)[N+](=O)[O-])c2nc1C)S(=O)(=O)c3ccc(c(C)c3)C,0.0
33494,CO-ADD:0294644,5.49,C(C(OCC)=O)(C(c1ccc(c(OC)c1)O)N2)=C(C)N(C2=O)C,0.0
33495,CO-ADD:0293912,5.49,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc(ccc(c2O3)OC34CCCCC4)c2,0.0
33496,CO-ADD:0295201,5.49,c1(n(CC(=NN1C(C)=O)c2ccccc2)c(c34)C(=O)N(C(=O)N3C)C)n4,0.0
33497,CO-ADD:0293271,5.49,C(/OC(=N1)c2ccccc2)(\C1=O)=C(\c3c(cccc3)CC4(C)C)/N4,0.0
33498,CO-ADD:0319739,5.49,c1(N(CC2)CCO2)nc(COc(cc3)ccc3C(OC)=O)nc(N)n1,0.0
33499,CO-ADD:0320691,5.49,C(=N/c(cc1)ccc1OCC)(/SC(C(=O)Nc(cc2)ccc2OC(Cl)(F)F)CC3=O)\N3CC,0.0
33500,CO-ADD:0320596,5.49,C(F)(F)(F)c(cc1)ccc1C(NN)=O,0.0
33501,CO-ADD:0323837,5.49,c12c(ncnc1SCC(O)c3ccc(cc3)Cl)[nH]cn2,0.0
33502,CO-ADD:0323038,5.49,N1(C(=O)CSc2sc(c3n2)cccc3)c4c(cccc4)Sc(ccc(Cl)c5)c15,0.0
33503,CO-ADD:0323857,5.49,S(=O)(=O)(N(CC1)CCN1C23CC(CC4C2)CC(C4)C3)c5c(Cl)ccc(Cl)c5,0.0
33504,CO-ADD:0323305,5.49,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cc(Br)ccc4F,0.0
33505,CO-ADD:0300566,5.49,S(=O)(=O)(N(CC)CC)c(ccc(c1c(nnc2c(c(OC)ccc3S(=O)(=O)N(CC)CC)c3)o2)OC)c1,0.0
33506,CO-ADD:0300598,5.49,C(C(=O)OCc1ccccc1)(=C(C)NC(=C23)CCCC2=O)C3c4ccc(c(F)c4)F,0.0
33507,CO-ADD:0301150,5.49,N1(C(=O)c2ccc(cc2)C)N=C(CC1(O)C(F)(F)F)C3CCCCC3,0.0
33508,CO-ADD:0301007,5.49,C12(Nc(cccc3)c3C(=O)N1Cc4ccccc4)c5c(N(Cc6ccccc6Cl)C2=O)cccc5,0.0
33509,CO-ADD:0300551,5.49,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccccc5[N+](=O)[O-])cccc4,0.0
33510,CO-ADD:0304986,5.49,C(C(c1ccccc1)=O)(C2c3ccc(c(OC)c3)O)=C(O)C(N2c(cccc4C(F)(F)F)c4)=O,0.0
33511,CO-ADD:0301009,5.49,S(NCCc(cc1)ccc1OC)(=O)(=O)c2ccc(cc2)SC,0.0
33512,CO-ADD:0304998,5.49,c1(N(c2ccccc2)c3ccccc3)nc(SCC(O)=O)nc(SCC(O)=O)n1.C(=O)O,0.0
33513,CO-ADD:0304615,5.49,c1(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)sc(c3n1)ccc(Cl)c3,0.0
33514,CO-ADD:0305368,5.49,N1(c2ccccc2)C(=O)C(C(C34)C1=O)C(c5c3cccc5)c6c4cccc6,0.0
33515,CO-ADD:0303960,5.49,C(C(OCCOC(C)C)=O)(C1c2ccc(cc2)O)=C(C)NC(CCCC3=O)=C13,0.0
33516,CO-ADD:0302760,5.49,c1(n(C)c2c(cccc2)n1)c3nonc3NC(=O)c4ccc(cc4)F,0.0
33517,CO-ADD:0304045,5.49,C(C(c1ccccc1)=O)(C2c3ccc(c4c3)OCO4)=C(O)C(N2c5ccc(cc5)F)=O,0.0
33518,CO-ADD:0304025,5.49,C(CC(=O)Nc1ccccc1C(F)(F)F)(c2c3cccc2)c4c(O3)cccc4,0.0
33519,CO-ADD:0304102,5.49,N1(c2cccc(Cl)c2)C(=O)C(=CC1(C)C(OCC)=O)Nc3cccc(Cl)c3,0.0
33520,CO-ADD:0304041,5.49,n1(c(cc2)ccc2C(=O)OCC(=O)c3ccc(c(C)c3)C)cnnn1,0.0
33521,CO-ADD:0303172,5.49,N(c1cccc(c1)C(O)=O)(C(=O)c(c23)c4c(nc2C)cccc4)C3=O,0.0
33522,CO-ADD:0303932,5.49,C(C(OC)=O)(=CN(Cc(cc1)ccc1F)C=C2C(OC)=O)C2c(cc3)ccc3C(F)(F)F,0.0
33523,CO-ADD:0303115,5.48,C1(C(F)(F)F)(C(F)(F)F)C=C(C)N(C(N)=C1C#N)c2sc(c(CC)c2C#N)C,0.0
33524,CO-ADD:0301569,5.48,[N+](=O)([O-])c1ccccc1Oc2ccccn2,0.0
33525,CO-ADD:0302386,5.48,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cccc(F)c2)(C(=O)Nc3ccccc3OC)C1c4ccccc4,0.0
33527,CO-ADD:0307076,5.48,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(=O)c3ccccc3Br)F,0.0
33528,CO-ADD:0307128,5.48,n(c(c(cc1)ccc1C(N)=O)c2c(c3Nc(cc4)ccc4OC(Cl)(F)F)cccc2)n3,0.0
33529,CO-ADD:0307374,5.48,S(=O)(=O)(N1CCC(CC1)C(O)=O)c(cc(C)cc2S(=O)(=O)c3ccc(cc3)Cl)c2C,0.0
33530,CO-ADD:0311301,5.48,S(=O)(=O)(c1ccc(cc1)OCC)N(CC2)CCN2c3ccc(cc3)F,0.0
33531,CO-ADD:0305410,5.48,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(cco3)c3)\C1=O)=O,0.0
33532,CO-ADD:0307594,5.48,S(NCCOc1ccccc1OC)(=O)(=O)c(ccc2c3c4c(o2)cccc4)c3,0.0
33533,CO-ADD:0312471,5.48,[C@]12(O[C@@]3(C=C1)[C@@H]([C@@H]2C(=O)O)C(N(C3)c4ccccc4)=O)C,0.0
33534,CO-ADD:0312616,5.48,C(C1C(OC)=O)(OC23C1C(N(C24)CCS4)=O)C=C3,0.0
33535,CO-ADD:0307324,5.48,C1(=C(CC(CC1=O)c(cc2OC)cc(c2OC)OC)Nc(c3N4C(CC)=O)cccc3)C4c5cccc(F)c5,0.0
33536,CO-ADD:0306229,5.48,c1(nc(c2n1CC(OCC)=O)cccc2)c3nonc3NC(CC)=O,0.0
33537,CO-ADD:0312502,5.48,C(C(C1)[C@@H]2C(=O)N1Cc3ccccc3)c(c4[C@H]2C(=O)O)oc(c4)[2H],0.0
33538,CO-ADD:0305943,5.48,c([N+](=O)[O-])(nn(c1C(=O)Nc2sc(c(C)c2C(OC)=O)C)Cc3ccccc3)c1,0.0
33539,CO-ADD:0320133,5.48,c(NC(CSc1nnnn1c2ccc(cc2)Cl)=O)(c(C(N)=O)nn3c4ccccc4)n3,0.0
33540,CO-ADD:0319245,5.48,C(=O)(C(C)Oc1ccc(cc1Cl)Cl)Nc(ccc(c23)OCCO2)c3,0.0
33541,CO-ADD:0321190,5.48,C1(N(CC(C)C)CC(C)C)=CC(OC12CCCCC2)=O,0.0
33542,CO-ADD:0321502,5.48,n12c(C(CCC3)=NCC(O)C1)c3c(cc(C)cc4)c24,0.0
33543,CO-ADD:0324529,5.48,C12=C(CCCC1=O)Nc(c3C2c4ccc(c(OC)c4)OCc5ccccc5)ccc6c3cccn6,0.0
33544,CO-ADD:0324785,5.48,c1(N(CC2)CCN2C34CC5CC(CC(C5)C3)C4)nc(NCCC)nc(Nc(cc6)ccc6OC(Cl)(F)F)n1,0.0
33545,CO-ADD:0321518,5.48,C1(=CC=CN(CC(=O)N(C)C2(CCCCC2)C(=O)Nc3c(C)cccc3C)C1=O)[N+](=O)[O-],0.0
33546,CO-ADD:0321043,5.48,n1(c(c(C)c2)cc(c2NS(=O)(=O)c3ccc(cc3)NC(C)=O)O)nc4c(cccc4)n1,0.0
33547,CO-ADD:0300976,5.48,N(CN(CC1)CCN1C(c2ccccc2)c3ccccc3)(N=C(N4C)c5cccc(cccc6)c56)C4=S,0.0
33548,CO-ADD:0301016,5.48,N(\C(=C\c(ccc(c1OC)OCCCl)c1)\C(O2)=O)=C2c3ccc(cc3)Cl,0.0
33549,CO-ADD:0301160,5.48,C1(O)(C(F)(F)F)CC(=NN1C=O)C(C)(C)C,0.0
33550,CO-ADD:0301192,5.48,N1(C2c3ccc(cc3)F)C(S\C(=C\c(ccc4N(C)C)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
33551,CO-ADD:0300337,5.48,N1(C(C)C)CC(CC1=O)C(=O)Nc(ccc(c2[N+](=O)[O-])Cl)c2,0.0
33552,CO-ADD:0301193,5.48,N1(C2c3ccc(cc3)F)C(S\C(=C\c(cc4)ccc4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
33553,CO-ADD:0305273,5.48,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)OC(F)(F)F)c5cccc(OC)c5,0.0
33554,CO-ADD:0305081,5.48,c1(C(N)=O)sc2c(c(COC)cc(C)n2)c1NC(CCl)=O.Cl,0.0
33555,CO-ADD:0301354,5.48,C(=C/c(ccc(c1OC)OCC(O)=O)c1)(/C(=O)NN2c3ccccc3)\C2=O,0.0
33556,CO-ADD:0301545,5.48,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccccc4)n1Cc5ccco5,0.0
33557,CO-ADD:0303959,5.48,C(C(OCC)=O)(=CN(c1ccc(cc1)F)C=C2C(OCC)=O)C2c(ccc(c34)OCO3)c4,0.0
33558,CO-ADD:0303871,5.48,N1C(c2cccc(F)c2)SCC1C(O)=O,0.0
33559,CO-ADD:0304081,5.48,C(C(OC)=O)(C(=O)\C(\N1c2ccc(cc2)F)=C/c3ccc(CNC(=O)C(OCC)=O)o3)=C1C,0.0
33560,CO-ADD:0303118,5.48,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccccc1Cl)Nc2sc(c(CC)c2C#N)C,0.0
33561,CO-ADD:0301471,5.48,C(C(OCC)=O)(C1c2ccc(cc2)OC)=CN(C=C1C(OCC)=O)c3ccc(cc3)OCC,0.0
33562,CO-ADD:0302463,5.48,c(C(OCC)=O)(c(C)n(n1)c(cc2)ccc2[N+](=O)[O-])n1,0.0
33563,CO-ADD:0306867,5.48,C(F)(F)(F)Oc(cc1)ccc1NC(CSc2cccc(cccn3)c23)=O,0.0
33564,CO-ADD:0311611,5.48,C(=N/c(cc1)ccc1OC(F)(F)Cl)(/SC(C(=O)Nc2cccc(C)c2)CC3=O)\N3CC,0.0
33565,CO-ADD:0307429,5.48,c1(sc2c(c(C)cc(C)n2)c1N)c3[nH]c(c4n3)cccc4,0.0
33566,CO-ADD:0307529,5.48,N1(c(cc2)c(OC1=O)cc2S(=O)(=O)N3CCCCC3)C(=O)c4ccc(cc4Cl)Cl,0.0
33567,CO-ADD:0307513,5.48,C1(C#N)(C#N)C2\C(\CC(CC2c3ccc(cc3)OC)(C)C1(C#N)C#N)=N\NC(N)=O,0.0
33568,CO-ADD:0312008,5.47,c1(Nc2ccccc2)nc(Cl)nc(OCC(F)(F)F)n1,0.0
33569,CO-ADD:0307532,5.47,C(=S)(Nc(cc1)ccc1C)Nc2cc(C)ccc2OC,0.0
33570,CO-ADD:0307005,5.47,n(c1ccc(cc1)OC)(n2)nc(c23)C(=O)NC=N3,0.0
33571,CO-ADD:0311160,5.47,N1(CCc(cccc2)c12)C(=O)C(C)Oc3ccccc3Br,0.0
33572,CO-ADD:0311231,5.47,N1(CN(c2ccccc2)CN3C(=O)C(NC3=O)(C)C)C(=O)C(NC1=O)(C)C,0.0
33573,CO-ADD:0305741,5.47,C(C(OCC)=O)(=CN(c1cc(C)ccc1C)C=C2C(OCC)=O)C2c3ccc(c(OC)c3OC)OC,0.0
33574,CO-ADD:0320181,5.47,C1(c2ccc3c(ccc(C)c3)n2)=CN(CC)c4c(cc(cc4)C)C1c5c6c(n([H])c5)cccc6,0.0
33575,CO-ADD:0320197,5.47,n1(CC=C)c(SCC(=O)Nc2nnc(c3ccccc3)s2)nnc1c4cccs4,0.0
33576,CO-ADD:0319846,5.47,[nH]1c(cccc2)c2c(CCNC(=O)c3cc(Cl)ccc3OC)c1C,0.0
33577,CO-ADD:0320273,5.47,C(O)(O1)(CC(=N1)C(C)(C)CO)C(F)(F)F,0.0
33578,CO-ADD:0321319,5.47,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(cc3)ccc3N(CC)CC)\C1=N,0.0
33579,CO-ADD:0321320,5.47,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCc4ccccc4F)c3)\C2=N,0.0
33580,CO-ADD:0319256,5.47,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5cccs5)c24,0.0
33581,CO-ADD:0324899,5.47,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc(cc4OC)cc(c4OC)OC)n2,0.0
33582,CO-ADD:0323721,5.47,N1(CC(=O)Nc(cc2)ccc2OC(F)(F)F)c3c(c4C1=O)c(ccc3)ccc4,0.0
33583,CO-ADD:0324046,5.47,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c3c(F)cc(c(Cl)c3)C#N,0.0
33584,CO-ADD:0324677,5.47,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n2)CC(CCCC)CC,0.0
33585,CO-ADD:0323565,5.47,c1(cc(C)c(cc1N2CCCC2)NC(=S)NC(=O)c3cccs3)[N+](=O)[O-],0.0
33586,CO-ADD:0324271,5.47,N(C)(C(O)=C(\C=N\c(cc1)ccc1C(OCCN(CC)CC)=O)C(=N2)O)C2=O,0.0
33587,CO-ADD:0321085,5.47,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(c3ccccc3)c1CN4CCCCC4C,0.0
33588,CO-ADD:0323601,5.47,c1(Nc(cc2)ccc2OC(F)(F)Cl)nc(NC)nc(NCCOC(C3)(CC(C4)CC5CC34)C5)n1,0.0
33589,CO-ADD:0300489,5.47,c1(cc(ccc1N(CC2)CCC2C(=O)Nc(ccc(c3C(F)(F)F)N(CC4)CCO4)c3)C(F)(F)F)[N+](=O)[O-],0.0
33590,CO-ADD:0301041,5.47,c1(C=O)cc(ccc1O)N=Nc(cc2)ccc2C(C)=O,0.0
33591,CO-ADD:0301073,5.47,C1(C#N)(C#N)C(CCC)C(C(N)=C1C#N)(C)C(C)=O,0.0
33592,CO-ADD:0300521,5.47,c1(cc(ccc1Cl)SC)C(=O)Nc(ccc(c2O3)OC3(C)C)c2,0.0
33593,CO-ADD:0301209,5.47,C(=O)(N\N=C\c(cc(OCO1)c1c2)c2Br)C(NCCN(CC3)CCO3)=O,0.0
33594,CO-ADD:0300937,5.47,N1(c(cc2)ccc2C(C)(C)C)CC(CC1=O)C(=O)Nc3cccc(Cl)c3,0.0
33595,CO-ADD:0305194,5.47,N(C1=O)=C(SCc2[nH]c(c3n2)cccc3)NC(c4ccccc4)=C1,0.0
33596,CO-ADD:0305226,5.47,N1(C(C12)CCC2)S(=O)(=O)c3ccc(cc3)C,0.0
33597,CO-ADD:0305234,5.47,C12(c3c(NC1=O)cccc3)Nc(cccc4)c4C(=O)N2C5CCCCC5,0.0
33598,CO-ADD:0304685,5.47,N1(c2ccccc2)C(=O)C(Cc3ccccc3)=C(N=C1SCC(=O)Nc4ccccc4C)O,0.0
33599,CO-ADD:0304926,5.47,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(NCCc4ccccc4F)=O,0.0
33600,CO-ADD:0301360,5.47,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3C(OC)=O)n2)Cc4ccccc4Cl,0.0
33601,CO-ADD:0303103,5.47,c1(Cl)c(cccc1Cl)OCCNC(=O)C(c2ccccc2)Cc(cc3)ccc3O,0.0
33602,CO-ADD:0302008,5.47,C(=O)(N(C)Cc1ccccc1)C2CC=CCC2C(=O)N(C)Cc3ccccc3,0.0
33603,CO-ADD:0303774,5.47,C(C#N)(C1c2ccc(cc2)OC(CCC)=O)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
33604,CO-ADD:0301882,5.47,c1(NC(Cc(cc2)ccc2OC)=O)sc(c(CCN3C(OCC)=O)c1C(OCC)=O)C3,0.0
33605,CO-ADD:0302359,5.47,S(=O)(=O)(c(ccc(c1C(=O)Nc2ccccc2O)Cl)c1)N(C)c3ccccc3,0.0
33606,CO-ADD:0311228,5.47,N1(CCCCCC(O)=O)C(=O)CCC1=O,0.0
33607,CO-ADD:0311216,5.47,N1(CC(C)C)C(=O)c2c(c3C1=O)c(ccc2)ccc3,0.0
33608,CO-ADD:0310963,5.47,C(C(OC)=O)(C(F)(F)F)(NC(c1ccccc1)=O)Nc2sc(c(C)c2C(OCC)=O)c3ccccc3,0.0
33609,CO-ADD:0311546,5.47,C(=C/C(=O)c1ccc(cc1)Cl)(/C2=O)\Nc3c(ccc(Cl)c3)O2,0.0
33610,CO-ADD:0311776,5.47,C(=O)(C(O)(c1ccc(cc1)C)c2ccc(cc2)C)NN(C(CC)c3ccc(cc3)C)C(C)=O,0.0
33611,CO-ADD:0311344,5.47,N1(C(C)(C)C=C(c(cc(OC)cc2)c12)C)C(=O)Nc(ccc(c3[N+](=O)[O-])Cl)c3,0.0
33612,CO-ADD:0311283,5.47,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])N(c2ccc(cc2)C)CC(O)CN(CCCC)CCCC,0.0
33613,CO-ADD:0307139,5.47,N(CCN1S(=O)(=O)c2ccc(cc2)C)(C1c3ccc(cc3)OC)S(=O)(=O)c4ccc(cc4)C,0.0
33614,CO-ADD:0307123,5.47,n(c(c(cc1)ccc1C(=O)NC(C)(C)C)c2c(c3Nc(cc4)ccc4OC(Cl)(F)F)cccc2)n3,0.0
33615,CO-ADD:0306885,5.47,c(c1c(cc2)ccn2)(C3c(cc4)ccc4C(OC)=O)c([nH]n1)OC(N)=C3C#N,0.0
33616,CO-ADD:0305890,5.47,c1(NC(COc(cc2)ccc2I)=O)sc(c(C)c1C(OC)=O)C,0.0
33617,CO-ADD:0311897,5.47,C(=C/Nc(cc1)ccc1C(=O)N(C)C)(/C#N)\C#N,0.0
33618,CO-ADD:0320288,5.46,c1(C(OCC)=O)sc(c2c1NC(C)=O)cc(cc2Sc3ccccc3)[N+](=O)[O-],0.0
33619,CO-ADD:0323737,5.46,C1(c2c(N(C)C1=O)cccc2)(C3C(=O)NC(NC3=O)=O)C4C(=O)NC(NC4=O)=O,0.0
33620,CO-ADD:0323658,5.46,c(CCN(C=O)C1(CCCCC1)C(=O)Nc2c(C)cccc2C)(c3c([nH]4)cccc3)c4C,0.0
33621,CO-ADD:0323882,5.46,N(C(=O)\C(\S1)=C/c2ccccc2OCC)=C1N3CCCCC3,0.0
33622,CO-ADD:0323209,5.46,N1(C(=O)CSc2nnc(N)s2)c3c(cccc3)Sc(ccc(Cl)c4)c14,0.0
33623,CO-ADD:0321087,5.46,C(O)(Cc1c(C)cc(c(C)c1)C)(C(C)C2)CC(N2C)C,0.0
33624,CO-ADD:0305088,5.46,c1(c2C)c(on2)C=C(c3ccco3)CC1c4ccccc4,0.0
33625,CO-ADD:0300385,5.46,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc(cc2)ccc2CC(O)=O,0.0
33626,CO-ADD:0305058,5.46,c(Nc(cc1)ccc1OC)(n2)nc(nc2Nc(cc3)ccc3OC)Nc(cc4)ccc4OC(F)(F)Cl.Cl,0.0
33627,CO-ADD:0305066,5.46,c1(sc2c3c(COC)cc(C)n2)c3N=NN(c(cc4)ccc4[N+](=O)[O-])C1=O,0.0
33628,CO-ADD:0304522,5.46,C(C(C)=NC(C1C#N)=S)(C(=O)Nc2ccccc2C)=C1c3cccc(F)c3,0.0
33629,CO-ADD:0304546,5.46,c1(Nc(cc2)ccc2OC(F)(Cl)F)c3c(ccc(OC)c3)ncc1C(OCC)=O,0.0
33630,CO-ADD:0300454,5.46,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(N(CCc3ccccn3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
33631,CO-ADD:0300727,5.46,c1(c(ccc(c1)n2c(C)ccc2C)N(CC3)CCN3)[N+](=O)[O-],0.0
33632,CO-ADD:0301672,5.46,C1(c2ccccc2[N+](=O)[O-])=N\C(\C(=O)O1)=C/c3ccccc3Cl,0.0
33633,CO-ADD:0302485,5.46,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(ccs4)c4,0.0
33634,CO-ADD:0301497,5.46,c1(nonc1N)\C(\N)=N\N=C\c(cc(OC)c(c2)OC)c2OC,0.0
33635,CO-ADD:0304183,5.46,N1(c2ccc(cc2)F)C(=O)CSC13CCC(CC3)CC,0.0
33636,CO-ADD:0304197,5.46,N1(c2ccc(c(C)c2)C)CC(CC1=O)C(=O)Nc(cc3)ccc3N(C)C,0.0
33637,CO-ADD:0302649,5.46,C(C(OCC)=O)C(N)c1ccccc1Cl.Cl,0.0
33638,CO-ADD:0311516,5.46,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c5c4)OCO5,0.0
33639,CO-ADD:0306075,5.46,C(NC(C)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C(N)=O)CCC2,0.0
33640,CO-ADD:0306302,5.46,C(F)(F)(F)c(cc1)ccc1C(=O)Nc2cccc(Br)c2,0.0
33641,CO-ADD:0306110,5.46,N1(CCC(CC1)C)c2ccc(cc2F)C(CC)=O,0.0
33642,CO-ADD:0306095,5.46,[nH]1c(ccc(c2)C(=O)NCC(OCC)=O)c2c3c1CCCC3,0.0
33643,CO-ADD:0312439,5.46,c1(CNC(CSCC(=O)Nc2ccccc2)=O)ccco1,0.0
33644,CO-ADD:0305934,5.46,c1(NC(=O)c2c(cccc2OC)OC)sc(c3c1C(OCC)=O)CCCC3,0.0
33645,CO-ADD:0312164,5.46,c1(Sc2c(c3ccccc3)c4c(nc2O)cccc4)sc5c(ccc(OCC)c5)n1,0.0
33646,CO-ADD:0311409,5.46,c1(NC(=O)c2ccccc2C)n(c3ccccc3)ncc1C(=O)NC(C)C,0.0
33647,CO-ADD:0307019,5.46,N1(c2ccccc2CC)C(=O)C=CC1=O,0.0
33648,CO-ADD:0312366,5.46,c1(C2c(cc3)ccn3)c([nH]nc1c4ccc(c(OC)c4)OCC)OC(N)=C2C#N,0.0
33649,CO-ADD:0311504,5.46,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(c(OC)c5OC)OC,0.0
33650,CO-ADD:0321416,5.46,[N+](=O)([O-])c(ccc(c1C(=O)NCC(CC2CC3CC4C2)(C4)C3)Cl)c1,0.0
33651,CO-ADD:0321432,5.46,c1(SC(=S)N(CC2)CCO2)c(F)c(F)nc(F)c1F,0.0
33652,CO-ADD:0320832,5.46,n1(CC(OCc2cccc(Br)c2)=O)nnnc1N,0.0
33653,CO-ADD:0323666,5.46,C(NCCC(CC1CC2CC3C1)(C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c(cccn4)c4,0.0
33654,CO-ADD:0323266,5.46,c1(c2SC)c(ccc2C(=O)Nc3ccccc3C)C(=O)c(c4C1=O)cccc4,0.0
33655,CO-ADD:0323364,5.46,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5C)c2,0.0
33656,CO-ADD:0323236,5.46,c1(C(=O)N(CC2)CCO2)c(Cl)c(Cl)c(nc1Cl)Cl,0.0
33657,CO-ADD:0304435,5.46,c1(sc(c2c3ccccc3)CC)c2C(NC=N1)=O,0.0
33658,CO-ADD:0304965,5.46,C1(=O)\C(=C(/C)\C)\C(NN1c2ccc(c(Cl)c2)C)=O,0.0
33659,CO-ADD:0301003,5.46,N1(c2ccccc2)C(=O)c3c(NC1c4cc(OCO5)c5cc4[N+](=O)[O-])cccc3,0.0
33660,CO-ADD:0300860,5.46,S(NCCCNc1ccc(cc1C(F)(F)F)[N+](=O)[O-])(c2ccccc2)(=O)=O,0.0
33661,CO-ADD:0309611,5.46,S1(=O)(=O)c(cccc2)c2c3c(ccc(c3)NS(=O)(=O)c4ccc(cc4)C)N1,0.0
33662,CO-ADD:0304228,5.46,[N+](=O)([O-])c(cc(C#N)c(c12)C=Cc(cccc3OC)c3O1)c2,0.0
33663,CO-ADD:0302676,5.46,S(=O)(=O)(c(cccc1C(=O)Nc2nc(C)cc(C)n2)c1)N(CC3)CCO3,0.0
33664,CO-ADD:0304335,5.46,S(=O)(=O)(c(cc1)ccc1c2ccccc2)Nc(cccc3c4cn5c(cccc5)n4)c3,0.0
33665,CO-ADD:0302709,5.46,c1(C2c3ccc(cc3OC)OC)c([nH]nc1c(cccc4[N+](=O)[O-])c4)OC(N)=C2C#N,0.0
33666,CO-ADD:0302725,5.46,N1(c2ccc(cc2)OC(F)(Cl)F)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
33667,CO-ADD:0302697,5.45,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)N(CC3)CCO3)c4ccccc4,0.0
33668,CO-ADD:0301402,5.45,C1(NC(CCSC)C(O)=O)=NC(Cc2c1ccc(c23)cccc3)(C)C,0.0
33669,CO-ADD:0301392,5.45,C(C(C)=O)(C1c2ccc(cc2)Br)=C(O)C(N1CCCN(C)C)=O,0.0
33670,CO-ADD:0301551,5.45,N12C(S\C(=C\c(cccc3[N+](=O)[O-])c3)\C1=O)=NC(c4ccc(c(OC)c4)O)C(C(OCC)=O)=C2C,0.0
33671,CO-ADD:0302445,5.45,c12c(c3c(CCCC3)nc1N)C(N(CCCCC)C2=N)=O,0.0
33672,CO-ADD:0301426,5.45,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3ccc(c(Cl)c3)Cl,0.0
33673,CO-ADD:0311370,5.45,C(C(OC)=O)(Nc1ccc(cn1)Br)(NC(C)=O)C(F)(F)F,0.0
33674,CO-ADD:0307447,5.45,c1(Oc(cc2)ccc2Cl)nc(C)cc(C)c1C#N,0.0
33675,CO-ADD:0306328,5.45,n(c(c1ccc(cc1)OC)c2c(c3Sc(cc4C(C)(C)C)cc(c4O)C(C)(C)C)cccc2)n3,0.0
33676,CO-ADD:0312010,5.45,c1(NC(=O)C2=Cc3c(OC2=O)cccc3)c(c4ccccc4)nc(cc(C)cc5)n15,0.0
33677,CO-ADD:0306353,5.45,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])N(c2ccccc2)NC(=O)C(CC)(CC)O,0.0
33678,CO-ADD:0312536,5.45,[C@@H]1(C2)O[C@](CN3Cc4ccccc4)([C@@H]2C3=O)[C@H]([C@H]15)N(c6c([N+]([O-])=O)cccc6)N=N5,0.0
33679,CO-ADD:0310930,5.45,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C(=O)c4cccc(C)c4,0.0
33680,CO-ADD:0311734,5.45,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(NCCOc4c(C)cccc4C)=O)c1C)cc(OC)cc3,0.0
33681,CO-ADD:0311704,5.45,C(/C1)(=C/c2cccs2)\C(=O)\C(\CC1C(C)(C)CC)=C\c3cccs3,0.0
33682,CO-ADD:0312332,5.45,N1(CCc(ccc(c2OC)OC)c2)\C(=N/CC)\SC(C(=O)Nc3ccccc3F)CC1=O.N4(CC)\C(=N/CCc(ccc(c5OC)OC)c5)\SC(C(=O)Nc6ccccc6F)CC4=O,0.0
33683,CO-ADD:0305634,5.45,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2Cl)C1c3ccc(cc3)Cl,0.0
33684,CO-ADD:0307094,5.45,c1(cccc(F)c1F)C(=O)N2CCCCC2,0.0
33685,CO-ADD:0321076,5.45,C(C(OC)=O)(=CN(CCC(C1)(C2)CC(C3)CC1CC23)C=C4C(OC)=O)C4c5ccccc5OCC,0.0
33686,CO-ADD:0301219,5.45,C(/NC(=O)c1ccc(cc1)C)(=C\c2cccs2)\C(=O)N3CCCCCC3,0.0
33687,CO-ADD:0300468,5.45,c1(C2(CCCCC2)NC)nnnn1c3ccc(cc3)Cl,0.0
33688,CO-ADD:0300900,5.45,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(=O)c4ccc(cc4)C,0.0
33689,CO-ADD:0304261,5.45,C1(c2cccc(cccc3)c23)=NNC(C)(CC(=O)Nc4ccc(cc4C)C)S1,0.0
33690,CO-ADD:0304230,5.45,C(NCC)(=O)c1ccc(cc1)N,0.0
33691,CO-ADD:0302654,5.45,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])Oc(c3NC2=O)cccc3,0.0
33692,CO-ADD:0302718,5.45,c12c(CCCC1C(=O)NC(c3ccccc3)c4ccccc4)c5c(ccc(Cl)c5)[nH]2,0.0
33693,CO-ADD:0301661,5.45,n1(c(C)c(cc1C)C=O)c2ccc(c(cccc3)c23)Br,0.0
33694,CO-ADD:0301632,5.45,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)OC)cccc4,0.0
33695,CO-ADD:0303112,5.45,c1(NC(=O)c2cc(ccc2N3CCCCCC3)[N+](=O)[O-])sc(c(C)c1C(OCC)=O)C,0.0
33696,CO-ADD:0304202,5.45,N1(c2ccc(cc2)C)C(c3cccc(OC)c3)Nc(c4C1=O)cccc4,0.0
33697,CO-ADD:0302102,5.45,C(=O)(Nc1ccccc1C(=O)Nc(cc2)ccc2C(O)=O)c3ccccc3Cl,0.0
33698,CO-ADD:0301408,5.45,c12c(CC(C)(C)CC1=O)c3c(nc2c4ccccc4)ccc(cccc5)c35,0.0
33699,CO-ADD:0303136,5.45,c1(NC(COc(cc2)ccc2Cl)=O)sc(c(C)c1C#N)C(OC)=O,0.0
33700,CO-ADD:0303267,5.45,S(C)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NCc(cc3)ccc3C(C)C,0.0
33701,CO-ADD:0310815,5.45,C(F)(F)(F)c(cc1)ccc1C(=O)Nc2cccc(Cl)c2,0.0
33702,CO-ADD:0307320,5.45,N(c1c(cccc1)NC(CC(C)(C)CC2=O)=C23)(C3c4ccc(cc4)OC)C(=S)Nc(cc5)ccc5F,0.0
33703,CO-ADD:0311841,5.45,c1(nc[nH]c1C(O)=O)C(=O)Nc2ccccc2,0.0
33704,CO-ADD:0307583,5.45,C(/C#N)(=C/c1ccc(C)o1)\C(=O)Nc(cc2)ccc2C(F)(F)F,0.0
33705,CO-ADD:0305864,5.45,c1(NC(=O)c2c(cccc2OC)OC)sc(c3c1C(N)=O)CCCC3,0.0
33706,CO-ADD:0306262,5.45,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2ccc(c(Cl)c2)Cl,0.0
33707,CO-ADD:0312505,5.45,C(C(C1)[C@@H]2C(=O)N1Cc3ccccc3)c(c4[C@H]2C(OC)=O)occ4,0.0
33708,CO-ADD:0312601,5.45,C1=C[C@@]2([C@]([C@]34C(F)(F)F)(C(F)(F)F)[C@@]5(O[C@H]3C=C5)COC2)O[C@H]14,0.0
33709,CO-ADD:0312553,5.45,c1([C@H]([C@H](C(CN2c3ccccc3)C4)C2=O)C(O)=O)c4scc1,0.0
33710,CO-ADD:0306759,5.45,C(C(OCCOC)=O)(C1c(cc2)ccc2c3ccccc3)=C(C)NC(CCCC4=O)=C14,0.0
33711,CO-ADD:0305535,5.45,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCOc4ccccc4,0.0
33712,CO-ADD:0312594,5.45,[C@@H]12[C@@H]([C@]3(O[C@H]14)[C@]([C@]5(CN(C3)C(OC(C)(C)C)=O)O[C@H]6[C@@H]7[C@H]5O7)([C@@]46C(OC)=O)C(OC)=O)O2,0.0
33713,CO-ADD:0307371,5.45,n1(Cc2ccccc2C#N)c3c(nc1c(c4)scn4)cccc3,0.0
33714,CO-ADD:0307621,5.45,N(CC1)(CCN1C)c(cc2)c(F)cc2C(=O)c3ccc(c(C)c3)C,0.0
33715,CO-ADD:0312294,5.45,n1(c2ccccc2)c(SCc(cc3)ccc3Br)nnc1c4ccc(c(OC)c4)OC,0.0
33716,CO-ADD:0311317,5.45,N1(CCCCC)C(=O)c2c(c3C1=O)c(ccc2)ccc3,0.0
33717,CO-ADD:0307579,5.45,C(/C#N)(=C/c1ccc(C)o1)\C(=O)Nc2cccc(Cl)c2,0.0
33718,CO-ADD:0305721,5.45,C1(=COc(c2C1=O)ccc(Cl)c2)C3C4=C(CCCC4=O)NC(C)=C3C(=O)OCc5ccccc5,0.0
33719,CO-ADD:0321069,5.45,C(C(OC)=O)(=CN(CCC(C1)(C2)CC(C3)CC1CC23)C=C4C(OC)=O)C4c5cccc(OC)c5,0.0
33720,CO-ADD:0323538,5.45,n(c1c2cccc1)c(O)c(n2)\C=C\c3cc(Br)ccc3OC(C)=O,0.0
33721,CO-ADD:0324659,5.44,S(=O)(=O)(NCc(ccc1C(OCC)=O)o1)c2ccc(c(cccc3)c23)OCC,0.0
33722,CO-ADD:0324683,5.44,c12c(c3c(cccc3)[nH]1)nnc(SCc(cc4)ccc4C(OC)=O)n2,0.0
33723,CO-ADD:0305269,5.44,c12c(C(N(C)C(=O)N1C)=O)n(c3n2)CC(=NN3CCO)c4cccc(OC)c4,0.0
33724,CO-ADD:0304933,5.44,C(/C#N)(=C/Nc1sccn1)\C(OCC)=O,0.0
33725,CO-ADD:0304790,5.44,C(N)(=O)NC(Cc1ccccc1)C(O)=O,0.0
33726,CO-ADD:0304284,5.44,c1(c(CCC2)c2c3c(ccc(cccc4)c34)n1)c5cc(Br)ccc5O.Cl,0.0
33727,CO-ADD:0303307,5.44,S(=O)(=O)(c1ccc(cc1)F)Nc(cc2)ccc2C(=O)N3CC(CC3C4)(C)CC4(C)C,0.0
33728,CO-ADD:0302426,5.44,C1(c2ccc(cc2)Cl)(Nc(cc3)ccc3OC)C(=O)c4c(cccc4)C1=O,0.0
33729,CO-ADD:0302410,5.44,c1(cc(ccc1N(CC2)CCN2c3scc(c4ccc(cc4)Br)n3)C(F)(F)F)[N+](=O)[O-],0.0
33730,CO-ADD:0304049,5.44,C(C(C)=O)(C1c2ccc(cc2)Cl)=C(O)C(N1CCCCCC(O)=O)=O,0.0
33731,CO-ADD:0304212,5.44,C(=O)(NC(C)c1ccccc1)C(=O)Nc(cc2)ccc2OCC=C,0.0
33732,CO-ADD:0301480,5.44,c(C(=O)N1CCCCC1)(s2)c(C)c(c2NC(COc3ccc(cc3Cl)Cl)=O)C(OCC)=O,0.0
33733,CO-ADD:0302457,5.44,C12=C(CCCC1=O)c3c(ccc4c3cccn4)NC2c5sccc5C,0.0
33734,CO-ADD:0303575,5.44,c1(Nc(cccc2C(F)(F)F)c2)nc(Cl)nc(NCc3ccco3)n1,0.0
33735,CO-ADD:0303145,5.44,c1(cnc(c2c1O)ccc(OC)c2)C(OCC)=O,0.0
33736,CO-ADD:0301371,5.44,c1(nc(c2)c(n3)cc(C#N)c2C#N)c3c4c(c(ccc5)ccc4)c15,0.0
33737,CO-ADD:0302905,5.44,C(=C\c1ccccc1OCc(cc2)ccc2Cl)(/C(C)=NN3c(cc4)ccc4[N+](=O)[O-])\C3=O,0.0
33738,CO-ADD:0306351,5.44,C(=O)(C(O)(c1ccc(cc1)C)c2ccc(cc2)C)N(c3ccccc3)\N=C\c4ccccc4,0.0
33739,CO-ADD:0311874,5.44,C1(CCCCC1)(C(=O)OC(C2(C)C)c3ccco3)C2=O,0.0
33740,CO-ADD:0310812,5.44,C1(CCCCC)(CC(OC1=O)CSc2[nH]c(c3n2)cccc3)C(OCC)=O.Cl,0.0
33741,CO-ADD:0305703,5.44,C(C#N)(C1c2cccs2)=C(SCC(=O)Nc3ccc(cc3C)C)NC(CC(C)(C)CC4=O)=C14,0.0
33742,CO-ADD:0305687,5.44,C(/C#N)(\C(c1ccccc1Cl)CC(c2ccccc2)=O)=C(/SCC(=O)Nc3cccc(Cl)c3C)\NC(c4ccccc4)=O,0.0
33743,CO-ADD:0305795,5.44,c1(NC(COc(cc2C)cc(c2Cl)C)=O)sc(c(C)c1C(OCC)=O)C,0.0
33744,CO-ADD:0311669,5.44,n1(C)cnnc1SCC(=O)Nc2ccc(c(OC)c2)OC,0.0
33745,CO-ADD:0305443,5.44,C1(NC(=S)NC2c3cccc(OC)c3)=C2CCc(cccc4)c14,0.0
33746,CO-ADD:0305419,5.44,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3ccc(cc3F)Cl,0.0
33747,CO-ADD:0305792,5.44,c1(NC(=O)c2cccc(Cl)c2)sc(c3c1C(N)=O)CCCC3,0.0
33748,CO-ADD:0306715,5.44,C1(C(c2ccccc2)Nc3ccccc3)C4CC(C(C)C4(C)C)C1=O,0.0
33749,CO-ADD:0311678,5.44,c12c(n(c(OC)n1)CC=C)C(N(C)C(=O)N2C)=O,0.0
33750,CO-ADD:0312253,5.44,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccccc3Br,0.0
33751,CO-ADD:0311365,5.44,N1(c2ccccc2)C(=O)C(C(C)C)=C(N=C1SCCN(CCC)CCC)O.Cl,0.0
33752,CO-ADD:0311128,5.44,S(=O)(=O)(N(CCC)CCC)c(cc1)ccc1C(=O)Nc(ccc(c2O3)OC34CCCCC4)c2,0.0
33753,CO-ADD:0307488,5.44,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(OC)c4OC,0.0
33754,CO-ADD:0312562,5.44,C1=C[C@@](C2)([C@]([C@@](C(C(OC)=O)=C3C(OC)=O)(O[C@@H]34)CS2)([C@]45[H])[H])O[C@H]15,0.0
33755,CO-ADD:0305543,5.44,c1(c(ccc(c1)[N+](=O)[O-])NCC(O)CNc(cc2)c(Cl)cc2[N+](=O)[O-])[N+](=O)[O-],0.0
33756,CO-ADD:0320585,5.44,C(NCCO)(CC1CC2CC3C1)(C3)C2,0.0
33757,CO-ADD:0320337,5.44,n1(c2ccccc2)nnnc1SCC(=O)Nc3cccc(OC)c3,0.0
33758,CO-ADD:0320188,5.44,c1(c2ccc(cc2)Cl)cc(c(cc3OCC)cc(c3O)Br)nc(ccc(cccc4)c45)c15,0.0
33759,CO-ADD:0319917,5.44,c1(nnc(c2c(cccc2)CC3(C)C)n13)C(F)(F)C(F)F,0.0
33760,CO-ADD:0319925,5.44,C1(=Cc(cccc2OC)c2OC1c3ccc(c(OC)c3)OC)[N+](=O)[O-],0.0
33761,CO-ADD:0323371,5.44,S(=O)(=O)(NC1CCCCC1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5OC(Cl)(F)F)c2,0.0
33762,CO-ADD:0323267,5.44,c12c(C(=CC(=O)S1)C)c(nn2c3ccccc3)C,0.0
33763,CO-ADD:0321496,5.44,C1(C)(C)C(C1\C=C(/Cl)\Cl)C(=O)Nc2ccc(cc2C)Br,0.0
33764,CO-ADD:0319284,5.44,c1(c2)c(cc(OC)c2NC(=O)c3ccc(cc3)I)c4c(cccc4)o1,0.0
33765,CO-ADD:0321535,5.43,S(c1ccccc1)(=O)(=O)N(C)CCC(O)=O,0.0
33766,CO-ADD:0324604,5.43,c1(ccccc1C(OCC)=O)C(c2ccccc2)=O,0.0
33767,CO-ADD:0300858,5.43,N(CC1)(C(C)CN1c(cc2)ccc2[N+](=O)[O-])C(=O)c3ccc(cc3)Br,0.0
33768,CO-ADD:0300298,5.43,N(C)(C(=O)C(Cc(ccc(c12)OCO1)c2)C(N3C)=O)C3=O,0.0
33769,CO-ADD:0301075,5.43,N1(C(N)=S)C(c2ccccc2)CC(c3ccccc3)=N1,0.0
33770,CO-ADD:0305214,5.43,c(C(OCC)=O)(c(cc(O)c(c12)cccc1)c2n3CCOc4c(C)cc(cc4C)C)c3C,0.0
33771,CO-ADD:0303636,5.43,n1c(c2ccccc2)onc1c3ccccc3,0.0
33772,CO-ADD:0301275,5.43,s1c(SCCC(O)=O)nnc1SCCC(O)=O,0.0
33773,CO-ADD:0301259,5.43,C(=N\c(cc1)ccc1Cl)(/SC(CNc(cc2)ccc2C(OC)=O)CC3=O)\N3CC=C,0.0
33774,CO-ADD:0303609,5.43,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc2ccccc2OCC,0.0
33775,CO-ADD:0301773,5.43,c1(c(C)cc(cc1C)C)NC(CN(CC)CC)=O.Cl,0.0
33776,CO-ADD:0301313,5.43,C1(SCC(=O)N1c2ccc(c(Br)c2)C)(c3c(N4CN5CCC(CC5)C)cccc3)C4=O,0.0
33777,CO-ADD:0303229,5.43,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)CC1c3c(Cl)ccc(c3)[N+](=O)[O-],0.0
33778,CO-ADD:0304384,5.43,N1(C(CCCCCCC)=O)c2c(cccc2)NC(=O)C1CC(=O)Nc(cc3)ccc3C,0.0
33779,CO-ADD:0303216,5.43,c1(NC(=O)Cc2cccs2)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
33780,CO-ADD:0303311,5.43,C(C#N)(C1c2ccccc2Cl)=C(SCC(N)=O)NC(CCCC3=O)=C13,0.0
33781,CO-ADD:0301960,5.43,n1(c(cc2)ccc2C(=O)OCc(cc3)ccc3OC)nnnc1SCc(cc4)ccc4OC,0.0
33782,CO-ADD:0303156,5.43,C(=C/c(ccc(c1OC)OCCSc2cccc(cccc3)c23)c1)(/C(=O)N(C)C(N4C)=O)\C4=O,0.0
33783,CO-ADD:0306183,5.43,S(CC=C)(=O)(=O)c1cccc(cccn2)c12,0.0
33784,CO-ADD:0306784,5.43,C(C(OCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccc(C)c3,0.0
33785,CO-ADD:0307379,5.43,C(/C(OCC)=O)(\[N+](=O)[O-])=C(\N)/NC(c1ccccc1)=O,0.0
33786,CO-ADD:0307591,5.43,c1(c2ccccc2Cl)nnn(CC(=O)Nc(cc3)ccc3OC(F)(F)Cl)n1,0.0
33787,CO-ADD:0305727,5.43,C(C(OCC)=O)(=CN(c1cc(C)ccc1C)C=C2C(OCC)=O)C2c3cc(OC)c(cc3OC)OC,0.0
33788,CO-ADD:0311854,5.43,c12c(ccc(OC)c1OC)C(OC2=O)Nc(cc3)ccc3OC(F)(Cl)F,0.0
33789,CO-ADD:0305468,5.43,N1(c2cccc(C)c2)C(=O)c3c(NC1=S)cccc3,0.0
33790,CO-ADD:0306969,5.43,C12(C(=O)Nc(ccc(C)c3Br)c13)C(C#N)=C(N)Oc([nH]n4)c2c4C(C)C,0.0
33791,CO-ADD:0310846,5.43,S(=O)(=O)(Nc(cc1)ccc1F)c(ccc(c2O3)N(C3=O)C)c2,0.0
33792,CO-ADD:0311105,5.43,N1(c2ccc(cc2)OCCC)CC(CC1=O)C(NCCc(ccc(c3OC)OC)c3)=O,0.0
33793,CO-ADD:0312320,5.43,C(C(=O)c1cccs1)(C2c3ccccc3)=C(O)C(N2CCc4ccccc4)=O,0.0
33794,CO-ADD:0312424,5.43,C(Nc(cc1)ccc1OC(F)(Cl)F)(C(OC)=O)(C(F)(F)F)NC(=O)c2ccccc2Cl,0.0
33795,CO-ADD:0312514,5.43,[C@]12(O[C@@]3(C=C1)[C@@H](C2)CN(C3)S(=O)(=O)c4ccc(C)cc4)C,0.0
33796,CO-ADD:0306865,5.43,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(c(OC)c5)OC)c24,0.0
33797,CO-ADD:0311727,5.43,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)NC(CC4CC5CC6C4)(C6)C5)c1C)cc(OC)cc3,0.0
33798,CO-ADD:0311820,5.43,c1(c2c(cc3)ccn3)c([nH]n2)OC(=C(C#N)C14c5c(NC4=O)cccc5)N,0.0
33799,CO-ADD:0310768,5.43,C1(NC(CCC1[N+](=O)[O-])=O)c2cccc(Cl)c2Cl,0.0
33800,CO-ADD:0312256,5.43,c1(C(c2ccc(cc2)CC)CC(N3)=O)c3cc(C)c(C)c1,0.0
33801,CO-ADD:0320586,5.43,C12(CC3CC(CC(C3)C1)C2)N(CC4)CCN4,0.0
33802,CO-ADD:0320542,5.42,N1(Cc(cc2)ccc2OC)\C(=N\c(cc3)ccc3F)\SC(C(NCCc(ccc(c4OCC)OCC)c4)=O)CC1=O,0.0
33803,CO-ADD:0319863,5.42,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCN(CC3)CCN3C(NCCc4ccccc4)=S,0.0
33804,CO-ADD:0320376,5.42,[nH](c(ccc(c1)OC)c1c2CCNC(=O)c(cc3OC)cc(c3OC)OC)c2C,0.0
33805,CO-ADD:0320282,5.42,c1(C(OC)=O)sc(c2c1N)cc(cc2SCC(C)C)[N+](=O)[O-],0.0
33806,CO-ADD:0324429,5.42,C1(=S)N(C)C(=O)\C(\C(=O)N1C)=C/Nc(cc2)ccc2C(OCCN(CC)CC)=O,0.0
33807,CO-ADD:0324726,5.42,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc(OC)c(c4[N+](=O)[O-])O)c4)cc(c(C)c3)C,0.0
33808,CO-ADD:0324774,5.42,c1(C(=O)N(CC2)CCN2C)c(cc(OC)c(c3)Br)c3n(C)c1C,0.0
33809,CO-ADD:0324502,5.42,C1(=C(CC(c2ccc(c(OC)c2)OC)CC1=O)Nc(c3N4C(CCC(O)=O)=O)cccc3)C4c5cccs5,0.0
33810,CO-ADD:0323388,5.42,c12c(cc(cc1NC(=O)c(cc3OC)cc(c3OC)OC)[N+](=O)[O-])oc(c4ccccc4)c2,0.0
33811,CO-ADD:0304782,5.42,c1(c2c(sc1\N=C(\c3ccccc3)/N(CC4)CCO4)CCCC2)C(=S)N(CC5)CCO5,0.0
33812,CO-ADD:0300383,5.42,C12(CCCCC1)Oc(c3O2)ccc(N)c3,0.0
33813,CO-ADD:0300776,5.42,C123C(CC(C(C4CC5=O)C1N5c(ccc(c6)[N+](=O)[O-])c26)C(C7)=CCO4)N7CC3,0.0
33814,CO-ADD:0303573,5.42,c12c(ccc(Cc(ccc(c34)N=C(OC3=O)C)c4)c1)N=C(OC2=O)C,0.0
33815,CO-ADD:0301745,5.42,N1(C=O)C(CC(C)=N1)c2ccc(c(OC)c2)OC,0.0
33816,CO-ADD:0301301,5.42,C1(C)(C(OCC)=O)\C(=N/Nc2cccc(Cl)c2)\C(C(=O)N1c3ccccc3)=O,0.0
33817,CO-ADD:0301826,5.42,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(ccc(c34)OCO3)c4)\C1=O)=O,0.0
33818,CO-ADD:0303962,5.42,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c(ccs3)c3,0.0
33819,CO-ADD:0304317,5.42,N(c(ccc(c1)N)c12)=C(c3ccccc3)OC2=O,0.0
33820,CO-ADD:0302968,5.42,[N+](=O)([O-])c1ccccc1\C=N\NC(CCCO)=O,0.0
33821,CO-ADD:0302925,5.42,c1(c(cccc1Cl)Cl)COc2ccc(cc2OC)\C=N\c(cc3)ccc3N(CC4)CCO4,0.0
33822,CO-ADD:0303085,5.42,c1(cc(ccc1SC2CCCCC2)C(=O)Nc(c3)cc(cc3C(OC)=O)C(OC)=O)[N+](=O)[O-],0.0
33823,CO-ADD:0302887,5.42,c1(c2cc(OC)c(OC)c1)C(=O)OC(c3cccc(OCC)c3)=N2,0.0
33824,CO-ADD:0303660,5.42,C1(=S)NC(C)(C)C=C(C)N1c2ccc(cc2)C,0.0
33825,CO-ADD:0302478,5.42,n1(C(=O)\C(\S2)=N\Nc(cc3)ccc3OC)c2nc(c4ccccc4)c1c5ccccc5,0.0
33826,CO-ADD:0312254,5.42,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(C)s5,0.0
33827,CO-ADD:0307050,5.42,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(=O)c3ccc(cc3)Br)F,0.0
33828,CO-ADD:0311383,5.42,c1(Sc2ncnc(cccc3)c23)c4c(nsn4)c(cc1[N+](=O)[O-])Br,0.0
33829,CO-ADD:0307554,5.42,C(C(OC)=O)(=CN(Cc(ccc(c1OC)OC)c1)C=C2C(OC)=O)C2c(ccc(c34)OCO3)c4,0.0
33830,CO-ADD:0311569,5.42,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)n2)CC(=O)c6ccc(cc6)Br,0.0
33831,CO-ADD:0307459,5.42,S(=O)(=O)(N(C)C)c1ccc(c2c1cccn2)OC,0.0
33832,CO-ADD:0312409,5.42,n1(Cc2ccccc2)c(SCC(=O)c3cccs3)nnc1c4ccccc4,0.0
33833,CO-ADD:0311755,5.42,c1(Nc(cc2)ccc2OC(F)(F)Cl)nc(NCCO)nc(OCC(F)(F)F)n1,0.0
33834,CO-ADD:0306111,5.42,C(=O)(N(CC1)CCN1c2ccc(cc2F)C(CC)=O)c3ccccc3F,0.0
33835,CO-ADD:0306096,5.42,c(cc1F)(c(Cl)cc1N(CC2)CCO2)C(=O)c3ccc(c(C)c3)C,0.0
33836,CO-ADD:0306088,5.42,c1(c2ccc(c1)OC(CC(C)C)C(OC)=O)OC(C=C2C)=O,0.0
33837,CO-ADD:0311073,5.42,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(c(OC)c4)OCCCC#N)c3C#N)C#N,0.0
33838,CO-ADD:0306991,5.41,C(OC)(F)(C(F)(F)F)C(=O)Nc(cc(cc1[N+](=O)[O-])C(O)=O)c1,0.0
33839,CO-ADD:0312307,5.41,c(OC)(c(OC)c1)c(OC)cc1C(NCCOc2ccccc2F)=O,0.0
33840,CO-ADD:0306080,5.41,c1(SCC(=O)c(ccc(c23)OCO2)c3)nccn1C,0.0
33841,CO-ADD:0311571,5.41,C1(C2)([N+](=O)[O-])C(CC(C)=O)C(c3c(cccc3)C1=O)(CN2C)[N+](=O)[O-],0.0
33842,CO-ADD:0306761,5.41,C(C(OC)=O)(=C(C)NC(=C12)CCCC1=O)C2c(cccc3C(F)(F)F)c3,0.0
33843,CO-ADD:0312208,5.41,C(=N/c(cc1)ccc1F)(/SC(C(=O)Nc(cc2)ccc2OC)CC3=O)\N3CCc4ccccc4,0.0
33844,CO-ADD:0320408,5.41,N1(CCCCCC(=O)NC(C)(C)C#C)C(=O)c(c2C1=O)cccc2,0.0
33845,CO-ADD:0319889,5.41,c(NC(C)(C)C)(nc(OC)nc1Nc(cc2)ccc2OC(F)(F)F)n1,0.0
33846,CO-ADD:0320238,5.41,c1(C(=O)NCc(cc2)ccc2Cl)c(Cl)c(Cl)c(nc1Cl)Cl,0.0
33847,CO-ADD:0320278,5.41,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2S(=O)(=O)Nc3sccn3)nnc1c4ccco4,0.0
33848,CO-ADD:0320275,5.41,n1(CC=C)c(SCC(=O)Nc2nnc(c3ccccc3)s2)nnc1c4ccco4,0.0
33849,CO-ADD:0320705,5.41,c1(NC(=O)c2c(Cl)ccc(c2)[N+](=O)[O-])sc(c(C)c1C(OCC)=O)C(C)=O,0.0
33850,CO-ADD:0323397,5.41,c1(c2ccccc2Cl)noc(C)c1C(=O)NCc(cc3)ccc3S(N)(=O)=O,0.0
33851,CO-ADD:0323420,5.41,c1(SCc(cc(OCO2)c2c3)c3Cl)nc(c4n1c5ccccc5)cccc4,0.0
33852,CO-ADD:0323421,5.41,n1(c2ccccc2F)nnnc1SCC(=O)N3c4c(cccc4)Sc(ccc(Cl)c5)c35,0.0
33853,CO-ADD:0319746,5.41,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n2)Cc4ccccc4F,0.0
33854,CO-ADD:0324909,5.41,C1(=C(C)NC(NC1=O)=O)S(=O)(=O)NCc(cc2)ccn2,0.0
33855,CO-ADD:0323899,5.41,c1(C2OCCO2)c3c(n(c4ccccc4)n1)cc(cc3SCc5ccccc5)[N+](=O)[O-],0.0
33856,CO-ADD:0323892,5.41,C1(C(F)(F)F)(C(F)(F)F)NC(C(Cl)C12)C(C2)OCCO,0.0
33857,CO-ADD:0305060,5.41,C1(C(=O)Nc(cc2)ccc2c3csc(c4ccccc4)n3)=Cc5c(OC1=O)ccc(Br)c5,0.0
33858,CO-ADD:0305085,5.41,N1(CCCO)C(=O)C(C(C(c2c3cccc2)c4c5cccc4)C1=O)C35,0.0
33859,CO-ADD:0304470,5.41,n12c(ccc(cccc3)c13)nnc2c4ccc(cc4)C,0.0
33860,CO-ADD:0300723,5.41,[N+](=O)([O-])c1ccc(cc1NCc(cc2)ccc2C(C)C)N(CC3)CCN3C(=O)c4ccccc4F,0.0
33861,CO-ADD:0301211,5.41,P(=O)(OC(C)C)(OC(C)C)C(Nc1ccccc1)c(cccc2[N+](=O)[O-])c2,0.0
33862,CO-ADD:0305107,5.41,S(c1ccccc1)(=O)(=O)Oc2c(OC)cc(cc2Cl)\C=C(/C#N)\c3sc(c4n3)cccc4,0.0
33863,CO-ADD:0304827,5.41,c1(ccccc1SCC(NCCc2ccccc2)=O)C(O)=O,0.0
33864,CO-ADD:0300876,5.41,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)c(cccn4)c4c3[N+](=O)[O-],0.0
33865,CO-ADD:0302011,5.41,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c3ccc(cc3)OC(=O)c4cccs4,0.0
33866,CO-ADD:0301566,5.41,N1(c2ccccc2C)C(C(CCC(=C3)C)C3C)Nc(c4C1=O)cccc4,0.0
33867,CO-ADD:0301538,5.41,c12c(n(c(NCc3ccccc3)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
33868,CO-ADD:0301385,5.41,N1(Cc2ccccc2)C(=O)c3c(NC1=S)cccc3,0.0
33869,CO-ADD:0301373,5.41,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccc(cc1)Cl)Nc2sc(c(CC)c2C#N)C,0.0
33870,CO-ADD:0303854,5.41,n1(Cc2cccc(cccc3)c23)c4c(nc1SCC(N)=O)cccc4,0.0
33871,CO-ADD:0301563,5.41,S(=O)(=O)(N(C)C(C12)OC(O1)C(O3)OC(C3N4C)N(S4(=O)=O)C)N2C,0.0
33872,CO-ADD:0303590,5.41,S(=O)(=O)(c(cccc1C(=O)Nc2sc(c3c2C(OCC)=O)CCCC3)c1)N4CCCCC4,0.0
33873,CO-ADD:0303153,5.41,C(=C/c(ccc(c1OCC)OCCOc(cc2)ccc2[N+](=O)[O-])c1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
33874,CO-ADD:0302595,5.41,N1(CNc(cc2)ccc2OC)C(=O)C(C3C1=O)C(CC34)C=C4,0.0
33875,CO-ADD:0303192,5.41,n1c(N2CCCCC2C)c(Nc3ccccc3OC)nc(non4)c14,0.0
33876,CO-ADD:0303158,5.41,C(=C/c(ccc(c1OCC)OCCOCCOc(cc2)ccc2C)c1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
33877,CO-ADD:0306123,5.41,N1(CCCC1)c(cc2)ccc2C(=O)c3ccc(cc3)F,0.0
33878,CO-ADD:0306100,5.41,c(cc1C)(c(F)cc1C(C)=O)N(CC2)CCN2C,0.0
33879,CO-ADD:0311462,5.41,c12c(n(cn1)CCC#N)C(N(C)C(=O)N2C)=O,0.0
33880,CO-ADD:0307479,5.41,C1(C(OCCOC(C)C)=O)=C(C)NC(=C2C1c3cc(Br)ccc3OC)CCCC2=O,0.0
33881,CO-ADD:0306994,5.41,c1([N+](=O)[O-])cc(n(Cc(cc2)ccc2c(onc3c4nonc4N)n3)n1)C,0.0
33882,CO-ADD:0307480,5.41,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(C)o4,0.0
33883,CO-ADD:0311201,5.41,S(c1ccccc1)(=O)(=O)N(CC(O)CN(Cc2ccccc2)Cc3ccccc3)c4cccc(cccc5)c45,0.0
33884,CO-ADD:0310897,5.4,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3S(c4ccccc4)(=O)=O,0.0
33885,CO-ADD:0307204,5.4,n1(c2c(Cl)ccc(c2)C(F)(F)F)c(C)c(c3c1CC(C)(C)CC3=O)CC(Cl)(Cl)Cl,0.0
33886,CO-ADD:0311920,5.4,n1(ncn2)c2N(C(CCCC3)=C3C1=O)CC#N,0.0
33887,CO-ADD:0306298,5.4,c12c(nc(c3c(cccc3)[nH]4)c4n1)C(=O)N(C(=O)N2C)C,0.0
33888,CO-ADD:0306290,5.4,C(OC)(CNc(cc1)ccc1OC)=O,0.0
33889,CO-ADD:0306106,5.4,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3cccc(F)c3)N4CCCCC4)[N+](=O)[O-],0.0
33890,CO-ADD:0305813,5.4,c1(c2c(sc1NC(=O)c(cc3OC)cc(c3OC)OC)CCCC2)C(=O)OC(C)C,0.0
33891,CO-ADD:0311015,5.4,c1(NC(=O)c2ccccc2C)n(c3ccccc3)ncc1C(=O)N4CCC(CC4)C(OCC)=O,0.0
33892,CO-ADD:0311741,5.4,c12c(n(c(N(\N=C\c3ccccc3)CC(=O)Nc4ccccc4C(OC)=O)n1)C)C(N(C)C(=O)N2C)=O,0.0
33893,CO-ADD:0311830,5.4,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c(cc(OCC)c(c3[N+](=O)[O-])OC(=O)c4cccs4)c3,0.0
33894,CO-ADD:0310909,5.4,[N+](=O)([O-])c1c(OCC)ccc(c1)C(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc(ccc(c4OC)OC)c4,0.0
33895,CO-ADD:0319035,5.4,N1(CCC(=O)Nc(cccc2C(O)=O)c2)C(=O)c(c3C1=O)cccc3,0.0
33896,CO-ADD:0320268,5.4,c1(SCC(=O)N(c2ccccc2)c3ccccc3)nc(C)cc(COC)c1C#N,0.0
33897,CO-ADD:0321388,5.4,C1(C)(OCC#CCN(CC2)CCO2)OCC(CO1)(C)OCC#CCN(CC3)CCO3,0.0
33898,CO-ADD:0320716,5.4,c1(C2c3cc(OC)ccc3OC)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
33899,CO-ADD:0320868,5.4,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccccc4)n1CC(O)c5ccccc5,0.0
33900,CO-ADD:0320758,5.4,C1(C(OC)=O)(C(F)(F)F)N=C(C=CC(=C2)C)N2C(c3ccc(cc3)F)=N1,0.0
33901,CO-ADD:0321409,5.4,S1(=O)(=O)c2c(C(N)=C1c3ccccc3)ccc(Oc4ccccc4)c2,0.0
33902,CO-ADD:0324284,5.4,c12c(CCNC1c3cccc(F)c3)cc(c(OCC)c2)OCC,0.0
33903,CO-ADD:0321377,5.4,C12(OCCO1)C(Cl)C(C(Cl)=C2N(CC)CC)=O,0.0
33904,CO-ADD:0320897,5.4,c(C(F)(F)F)(c(Cl)c1Cl)c(Cl)nc1Nc(cc2)ccc2OC,0.0
33905,CO-ADD:0323453,5.4,c1(Nc2scc(c3ccccc3)n2)nc(NCCO)nc(NCCO)n1,0.0
33906,CO-ADD:0319137,5.4,c1(SC(C)C(=O)Nc(cc2)ccc2OCC)nnc(C)s1,0.0
33907,CO-ADD:0300516,5.4,c1(N(C)CC(OCC)=O)scc(c(cccc2[N+](=O)[O-])c2)n1,0.0
33908,CO-ADD:0300524,5.4,N1(CCc(cccc2)c12)C(=O)CSc3nc(O)cc(N)n3,0.0
33909,CO-ADD:0301196,5.4,c1(C(=O)Nc2nnc(CC)s2)sc3c(c(COC)cc(C)n3)c1N,0.0
33910,CO-ADD:0300533,5.4,n1(c2c(n3)cccc2)c3NC=C(C(OCC)=O)C1=O,0.0
33911,CO-ADD:0300661,5.4,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccccc5OCCCC)cccc4,0.0
33912,CO-ADD:0300685,5.4,c1(OC(N)=C(C2c(cc3)cc(c3OC(=O)c4cccs4)OC)C#N)c2c(n[nH]1)CCC,0.0
33913,CO-ADD:0300292,5.4,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(ccs3)c3)\C1=O)=O,0.0
33914,CO-ADD:0303109,5.4,c1(C(O)C(O)c2nnc(SCC(=O)Nc3ccccc3)n2c4ccccc4)nnc(SCC(=O)Nc5ccccc5)n1c6ccccc6,0.0
33915,CO-ADD:0303733,5.4,C(=C/c(cc1)ccc1F)(/C(=O)NN2c3ccccc3)\C2=O,0.0
33916,CO-ADD:0302914,5.4,c1(NCc(cc2)ccc2OC)sccn1,0.0
33917,CO-ADD:0303808,5.4,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1NCCCCCCNc(cc2)c(Cl)cc2[N+](=O)[O-],0.0
33918,CO-ADD:0301878,5.4,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(C)s3,0.0
33919,CO-ADD:0304385,5.4,c(C(O)=O)(cc1c2ccc(cc2)Br)c3c(n1)ccc(Cl)c3,0.0
33920,CO-ADD:0302735,5.4,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc(cc4)ccc4F)n2,0.0
33921,CO-ADD:0301803,5.4,[N+](=O)([O-])c(cc1)ccc1C(O)C(CO)N,0.0
33922,CO-ADD:0301603,5.4,C(=O)(Nc(cc1)ccc1F)CCN(CC2)CCN2C,0.0
33923,CO-ADD:0301516,5.4,c([N+](=O)[O-])(cc(Br)c(c12)nsn1)c2Br,0.0
33924,CO-ADD:0301511,5.4,c1([N+](=O)[O-])c(C)c(nsn2)c2c(nsn3)c13,0.0
33925,CO-ADD:0311547,5.4,C12(OC(C(O)=C1C(=O)c3cccc(Br)c3)=O)C(=O)c(c4C2=O)cccc4,0.0
33926,CO-ADD:0310935,5.39,N1(CCSC1c2ccc(cc2)Br)C(=S)Nc(cccc3C(F)(F)F)c3,0.0
33927,CO-ADD:0307213,5.39,C1(C2c3ccc(cc3)OC(=O)c4ccco4)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
33928,CO-ADD:0305636,5.39,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(Cl)c3C)C2c4ccccc4OCC,0.0
33929,CO-ADD:0311958,5.39,n1(c2ccc(cc2)C)nnnc1SCC(=O)c3ccc(c4c3)CCCC4,0.0
33930,CO-ADD:0311414,5.39,n1(c2ccccc2C)cc(c(c3)n1)ccc3[N+](=O)[O-],0.0
33931,CO-ADD:0312504,5.39,C(C(CN(C1=O)Cc2ccccc2)[C@H]13)c(c4[C@@H]3c5ccccc5)occ4,0.0
33932,CO-ADD:0312477,5.39,[C@H]1(C=C2)O[C@]23[C@@H]([C@H]1C(=O)OCC)C(=O)N(CCc4cc(OC)c(OC)cc4)C3,0.0
33933,CO-ADD:0312485,5.39,[C@@H]12O[C@@]3(CC1)[C@@H]([C@@H]2C(OC)=O)C(N(C3)c4ccccc4)=O,0.0
33934,CO-ADD:0312587,5.39,C1=C[C@@]2([C@]([C@]3(CN(C2)Cc4ccccc4)O[C@H]5C=C3)([C@]56C(OC)=O)C(OC)=O)O[C@H]16,0.0
33935,CO-ADD:0312642,5.39,[C@H]1(C([C@@H](C)[C@H](N([C@H]1c2oc(C)cc2)C(C(F)(F)F)=O)c3ccc(C)o3)=O)C,0.0
33936,CO-ADD:0306220,5.39,N1(c2ccc(cc2)NC(C)=O)C(=O)CC(CC1=O)c3ccccc3,0.0
33937,CO-ADD:0311559,5.39,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCOC)c4ccc(cc4)Br,0.0
33938,CO-ADD:0312459,5.39,c1(Nc(cc2)ccc2OC(Cl)(F)F)nc(OCC(F)(F)F)nc(NCc3ccccc3)n1,0.0
33939,CO-ADD:0306859,5.39,N1(CC(=O)c2cccc(OC)c2)c3c(N(CC)C1=N)cccc3.Br,0.0
33940,CO-ADD:0310769,5.39,C(C(OC)=O)(=CN(Cc(ccc(c12)OCO1)c2)C=C3C(OC)=O)C3c4ccc(c(OC)c4)OC,0.0
33941,CO-ADD:0306841,5.39,n1(c(C)c(nn1)\C(\C)=N\NC(N)=O)c2nonc2N,0.0
33942,CO-ADD:0324292,5.39,n1c(c2ccc(cc2)F)nnn1CC(NCCc(ccc(c3OCC)OCC)c3)=O,0.0
33943,CO-ADD:0321434,5.39,N1(CC)C(C)(O)C(OC1=O)(CC2(C)C)CC(N2)(C)C,0.0
33944,CO-ADD:0321450,5.39,c1(c2ccc(cc2)Br)cc(c3ccc(cc3)OCc4ccccc4F)nc(ccc(cccc5)c56)c16,0.0
33945,CO-ADD:0320842,5.39,S(=O)(=O)(c1cccc(c1)C(OC)=O)N2CC(CC2C3)(C)CC3(C)C,0.0
33946,CO-ADD:0320882,5.39,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(Cl)c4)c5ccc(cc5)Br,0.0
33947,CO-ADD:0320731,5.39,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3cccc(O)c3,0.0
33948,CO-ADD:0323139,5.39,c1(NNC(NCC)=S)nc(C)cc(C)c1C#N,0.0
33949,CO-ADD:0323940,5.39,N1(CC(NCCc(ccc(c2OCC)OCC)c2)=O)C(=O)c3c(C(c4ccc(cc4)C)=N1)cccc3,0.0
33950,CO-ADD:0323109,5.39,c1(NC(=O)C=C(c2ccccc2)N3)c3non1,0.0
33951,CO-ADD:0323509,5.39,c1(c(cccc1Cl)Cl)COc(cc2)c(OC)cc2C(=O)Nc(cccn3)c3,0.0
33952,CO-ADD:0323525,5.39,c1(NC(=O)C2CC2c3ccccc3)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
33953,CO-ADD:0300618,5.39,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(c(OC)c5)OCCC)cccc4,0.0
33954,CO-ADD:0300642,5.39,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(c3)OCc4ccccc4,0.0
33955,CO-ADD:0300579,5.39,c1(C(OC)=O)oc(c2c1NC(=O)c3ccccc3O)cccc2,0.0
33956,CO-ADD:0300526,5.39,c(c1c(cccc1)cc2C(OC)=O)([N+](=O)[O-])c2O,0.0
33957,CO-ADD:0300894,5.39,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])Cl,0.0
33958,CO-ADD:0301110,5.39,N1(c2ccc(cc2)Cl)C(c3cccc(OCC)c3OCc4ccccc4Cl)N(N=C1C(C)=O)c5ccccc5,0.0
33959,CO-ADD:0300294,5.39,N(C)(C(=O)C(Cc(ccc(c1OC)OC)c1)C(N2C)=O)C2=O,0.0
33960,CO-ADD:0300879,5.39,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCO4,0.0
33961,CO-ADD:0301111,5.39,N1(c(cc2)ccc2N(CC3)CCO3)C(c4c(ccc(cccc5)c45)OCc6ccc(cc6Cl)Cl)N(N=C1C(C)=O)c7ccccc7,0.0
33962,CO-ADD:0304660,5.39,N1(c2ccc(cc2)OCC)CC(CC1=O)C(=O)Nc3cc(Cl)cc(Cl)c3,0.0
33963,CO-ADD:0304637,5.39,S(c1ccccc1)(=O)(=O)Oc2c(OC)cc(cc2OC)C=O,0.0
33964,CO-ADD:0301583,5.39,C12=C(CC(c(ccc(c34)OCO3)c4)CC1=O)Nc(c5NC2c(cc6)ccc6C(F)(F)F)cccc5,0.0
33965,CO-ADD:0302861,5.39,C1(SCC(C(O)=O)N1)c2c(F)cc(cc2F)F,0.0
33966,CO-ADD:0303028,5.39,c(C(C)=O)(c1N)sc2c1cc(c3n2)CCC3,0.0
33967,CO-ADD:0302923,5.39,N1(c2cccc(OC)c2)C(c(cc3)ccc3N(CC4)CCO4)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
33968,CO-ADD:0303487,5.39,C(=O)(Nc(cc1)ccc1Br)C2(CCCCC2)NC(=O)c3ccc(cc3)O,0.0
33969,CO-ADD:0302500,5.39,c1(cc(ccc1O)CN(CC2)CCN2c3ccccc3)C(OC)=O.Cl.Cl,0.0
33970,CO-ADD:0301495,5.38,C1(=O)N(O)c(c2N1O)cccc2,0.0
33971,CO-ADD:0304410,5.38,C1(C)(C)Oc(c2O1)ccc(c2)NC(Cc(cc3)ccc3F)=O,0.0
33972,CO-ADD:0304402,5.38,c1(SCC(=O)NC2CC2)sc3c(ccc(c3)NC(=O)c4ccccc4C(=O)N5CCCC5)n1,0.0
33973,CO-ADD:0304371,5.38,N1(C(OCCCl)=O)c(cc2)c(OC1=O)cc2S(=O)(=O)N3CCCCC3,0.0
33974,CO-ADD:0303972,5.38,N1(c2ccc(cc2)OCc3c(cccc3F)Cl)CC(CC1=O)C(O)=O,0.0
33975,CO-ADD:0302453,5.38,C(=O)(Nc(ccc(c1C)Br)c1)C(NCCc(ccc(c2OC)OC)c2)=O,0.0
33976,CO-ADD:0305606,5.38,N1(CCc(c2c([nH]3)ccc(Cl)c2)c3C)C(C)(O)C(OC1=O)(C)C,0.0
33977,CO-ADD:0305563,5.38,c1(C(c2ccccc2)OC(=O)c3cccc(cccc4)c34)nc(c5n1Cc6ccccc6F)cccc5,0.0
33978,CO-ADD:0307348,5.38,C(=S)(Nc(cc1)ccc1C)NC2CCCc(cccc3)c23,0.0
33979,CO-ADD:0305499,5.38,c1(occc1CN)C(OCC)=O.Cl,0.0
33980,CO-ADD:0311468,5.38,N(NC(=C1\C(\C)=N\C(CC2(C)C)CC(N2)(C)C)c3ccccc3)(C1=O)c4sc(c5n4)cccc5,0.0
33981,CO-ADD:0311561,5.38,c1(nc(CCCC2)c2n3)n3cc(c4ccc(cc4)Br)n1,0.0
33982,CO-ADD:0306196,5.38,c1(conc1C(=O)c(cc2)ccc2[N+](=O)[O-])C(=O)c3cccs3,0.0
33983,CO-ADD:0312540,5.38,c1([C@@H]([C@@H](C(=O)N(C2)c3ccccc3)C2C4)c5ccccc5)c4sc(C)c1,0.0
33984,CO-ADD:0312619,5.38,c(cc1c(c(N2C(N3)C4C5(OC(C4)CC5C(OC)=O)C2=O)ccc1)c36)c6,0.0
33985,CO-ADD:0311677,5.38,c1(SCC(=O)Nc2ccccc2C(F)(F)F)nccn1C,0.0
33986,CO-ADD:0306205,5.38,c1(C(O)=O)nnn(Cc2ccccc2)c1N,0.0
33987,CO-ADD:0306197,5.38,c1(N2CCCCC2)nc(CCl)nc(N)n1,0.0
33988,CO-ADD:0310803,5.38,c1(C2c(cc3OC)cc(c3O)Cl)c([nH]nc1c(ccc(c45)OCO4)c5)OC(N)=C2C#N,0.0
33989,CO-ADD:0311495,5.38,C1(=NCC(C)(C)S1)N(c2ccc(cc2)OC(Cl)(F)F)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
33991,CO-ADD:0306251,5.38,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(cc4OC)OC,0.0
33992,CO-ADD:0319307,5.38,c1(noc(c2cccnc2O)n1)c3nonc3N,0.0
33993,CO-ADD:0323087,5.38,C12(OCCO1)C(Cl)C(C(Cl)=C2Cl)=O,0.0
33994,CO-ADD:0321205,5.38,c1(SCC(C)C)nc(c2n1CC(N)=O)cccc2,0.0
33995,CO-ADD:0323342,5.38,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)Br)n1CC(O)c5ccccc5,0.0
33996,CO-ADD:0321030,5.38,C1(c2ccccc2)(CC1)NC(=O)Nc3c(OC)cc(c(OC)c3)Cl,0.0
33997,CO-ADD:0323993,5.37,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4ccc(c(OC)c4)Cl,0.0
33998,CO-ADD:0324041,5.37,c1(c(Cl)c(C)cc(F)c1F)C(=O)N(CC2)CCN2c3cc(N(CC4)CCO4)c(cc3[N+](=O)[O-])F,0.0
33999,CO-ADD:0321063,5.37,C(C(OC)=O)(=CN(CC(C1)(CC(CC12)CC3C2)C3)C=C4C(OC)=O)C4c5ccc(cc5)F,0.0
34000,CO-ADD:0300589,5.37,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(ccs5)c5)cccc4,0.0
34001,CO-ADD:0300605,5.37,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2cccc(C)c2,0.0
34002,CO-ADD:0300821,5.37,C1(O)(CC(=O)c(ccc(c2Cl)Cl)c2)c3c(N(C)C1=O)cccc3,0.0
34003,CO-ADD:0305144,5.37,c1(c2ccccc2Cl)nnn(CC(=O)Nc3cc(C)ccc3C)n1,0.0
34004,CO-ADD:0300359,5.37,n1(c(cc2)ccc2C(OC)=O)nnnc1SCc3ccccc3C,0.0
34005,CO-ADD:0300872,5.37,[N+](=O)([O-])c1c(NCCCCCCN)ccc(c1)C(F)(F)F.Cl,0.0
34006,CO-ADD:0301049,5.37,c1(no[n+]2[O-])c2c(Cl)c(c(Cl)c1[N+](=O)[O-])[N+](=O)[O-],0.0
34007,CO-ADD:0301089,5.37,C(C(OCC)=O)(N(C)NC(N1c2ccc(cc2)Cl)c3ccc(cc3)OCc(cc4)ccc4Cl)=N1,0.0
34008,CO-ADD:0305301,5.37,C1(=O)C(c2ccccc2)(c3ccccc3)OC(=NN1c4ccc(cc4)C)C(CCCC)(CCCC)O,0.0
34009,CO-ADD:0305317,5.37,c12c(ccc(OCC(C)=O)c1I)C(C)=C(C(=O)O2)CC,0.0
34010,CO-ADD:0302650,5.37,n1(cccc1C=O)c2ccc(cc2)Br,0.0
34011,CO-ADD:0302841,5.37,c1(SCC(=O)Nc2ccccc2SC)sc3c(ccc(OCC)c3)n1,0.0
34012,CO-ADD:0303817,5.37,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)c4cccc(F)c4,0.0
34013,CO-ADD:0301855,5.37,c1(cc(Br)c(c23)cccc2)c3NC(=O)CC1c4c(Cl)ccc(c4)[N+](=O)[O-],0.0
34014,CO-ADD:0302593,5.37,N1(CNc2ccccc2Cl)C(=O)C(C3C1=O)C(CC34)C=C4,0.0
34015,CO-ADD:0303757,5.37,C(C#N)(C1CCc2ccccc2)=C(N)OC(CCCC3=O)=C13,0.0
34016,CO-ADD:0303926,5.37,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5ccc(cc5)OC(F)(F)F)cccc4,0.0
34017,CO-ADD:0303971,5.37,N1(c2ccc(cc2)O)C(c3ccc(cc3)Cl)Nc(c4C1=O)cccc4,0.0
34018,CO-ADD:0303084,5.37,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(NCCC4=CCCCC4)=O)c1C)cc(OC)cc3,0.0
34019,CO-ADD:0301977,5.37,c1(c(OC)ccc(Cl)c1)NCC(=O)Nc(cc2)ccc2C(OC)=O,0.0
34020,CO-ADD:0302772,5.37,c1(NCc2ccccc2)[nH]c(c3n1)cccc3,0.0
34021,CO-ADD:0301300,5.37,C(S(C)(=O)=O)(C1c2ccc(cc2)F)=C(O)C(N1CCN)=O,0.0
34022,CO-ADD:0311305,5.37,S(=O)(=O)(c1ccc(c(cccc2)c12)OCC)N3CCCC(C)C3,0.0
34023,CO-ADD:0305416,5.37,C(/C1)(=C/c(cc2)ccc2C(OC)=O)\C(=O)\C(\CN1C)=C\c(cc3)ccc3C(OC)=O,0.0
34024,CO-ADD:0306727,5.37,C12(CCCC1)Oc(c3O2)ccc(N)c3.Cl,0.0
34025,CO-ADD:0305506,5.37,[N+](=O)([O-])c1ccc(cc1)NCCNCC.Cl,0.0
34026,CO-ADD:0307104,5.37,S(=O)(=O)(NC(C)(C)C#C)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4C)c1,0.0
34027,CO-ADD:0312228,5.37,C(C(OCC)=O)(C(c1ccccc1OC)N2)=C(CCC)N(C2=O)C,0.0
34028,CO-ADD:0305405,5.37,N1(CCCCC1)CCC(=O)c2ccc(cc2)OCCC.Cl,0.0
34029,CO-ADD:0307084,5.37,C1(C#N)(C(c2cccc(F)c2)O3)C(=N)OC3(C(C)C1(C#N)C#N)C,0.0
34030,CO-ADD:0311620,5.37,C(=N/c(cc1)ccc1OC(F)(Cl)F)(/SC(C(=O)Nc(cc2)ccc2C(OC)=O)CC3=O)\N3CC,0.0
34031,CO-ADD:0307466,5.37,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4cccc(c4)OCc5ccccc5,0.0
34032,CO-ADD:0312290,5.37,[N+](=O)([O-])c1ccccc1NC(CSCC(=O)Nc(ccc(c23)cccc2)c3)=O,0.0
34033,CO-ADD:0311427,5.37,c1(ccccc1SNc2ccccc2)C(OC)=O,0.0
34034,CO-ADD:0320415,5.37,N1(CCCCCC(=O)Nc(cc2)ccc2OC(F)(F)F)C(=O)c3c(cccc3)C1=O,0.0
34035,CO-ADD:0323402,5.37,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4)ccc4OCC(=O)Nc(cc5)ccc5OC(F)(F)F)\C1=O,0.0
34036,CO-ADD:0319935,5.36,n1(c2cccc(cccc3)c23)nnnc1SCc4cccc(Br)c4,0.0
34037,CO-ADD:0323680,5.36,c12n(c(cc(C)n1)C)nc(SCC(C)C)n2,0.0
34038,CO-ADD:0323175,5.36,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cc(OC)c(c4[N+](=O)[O-])O)c4,0.0
34039,CO-ADD:0323962,5.36,S(NCCOC(C1)(CC(C2)CC3CC12)C3)(=O)(=O)c4ccc(cc4)OCC,0.0
34040,CO-ADD:0321040,5.36,n1c(C#N)c(Cl)cc(Cl)c1Sc(cc2C(C)(C)C)cc(c2O)C(C)(C)C,0.0
34041,CO-ADD:0323140,5.36,c1(Oc(cc2)ccc2Cl)nc(Cl)cc(C)c1C(N)=O,0.0
34042,CO-ADD:0324701,5.36,N1(CC2N(CCc(cccc3)c23)C1c(c4)c(c5ccc(cc5)F)nn4S(=O)(=O)c6ccc(cc6)C)S(=O)(=O)c7ccc(cc7)C,0.0
34043,CO-ADD:0324672,5.36,c1(C(=O)Nc(c2)cc(cc2Oc(cc3)ccc3F)Oc(cc4)ccc4F)c(Cl)c5c(cccc5)s1,0.0
34044,CO-ADD:0300813,5.36,N1(\N=C(/C)\c2ccccc2O)C(c3ccc(cc3)O)Nc(c4C1=O)cccc4,0.0
34045,CO-ADD:0305216,5.36,C1(c2ccccc2OC)=C(O)C(c3c(cccc3)O1)=O,0.0
34046,CO-ADD:0305135,5.36,n1(nc(n2)N)c2NC(C(C)(C)C)=CC1=O,0.0
34047,CO-ADD:0304532,5.36,C(C(OCC)=O)(C1c(cccn2)c2)=C(c3ccccc3)NC(=S)C1(CC=C)C#N,0.0
34048,CO-ADD:0305045,5.36,c(C(=O)N(CC1)CCO1)(c2N)sc3c2cc(c4n3)CCCCC4,0.0
34049,CO-ADD:0305310,5.36,c1(N2CCCCC2)nc(Cl)nc(Cl)n1,0.0
34050,CO-ADD:0304862,5.36,c12c(n(c(N\N=C\C=C\c(ccc3[N+](=O)[O-])o3)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
34051,CO-ADD:0304886,5.36,N(N)c(cc1)ccc1Br.Cl,0.0
34052,CO-ADD:0302865,5.36,c1(cc(ccc1O)N=Nc(cc2)ccc2OCC)\C=N\c3ccccc3,0.0
34053,CO-ADD:0301601,5.36,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(c(OC)c3)OC)C2c4ccccc4OCc5ccccc5,0.0
34054,CO-ADD:0302557,5.36,C(c1ccccc1)(=O)Nc(cccc2C(O)=O)c2,0.0
34055,CO-ADD:0302843,5.36,N1(c2ccc(cc2)OCC)CC(CC1=O)C(=O)Nc3cccc(C)n3,0.0
34056,CO-ADD:0303693,5.36,c1(SCC(=O)Nc2sccn2)sc(c(ccc3C(F)(F)F)n1)c3,0.0
34057,CO-ADD:0301807,5.36,c12c(ccc(cccc3)c13)C(CC(=O)N2)c4ccc(c(Br)c4)F,0.0
34058,CO-ADD:0301340,5.36,N1(c2cccc(c2)C(O)=O)N=C(\C(=C/c(cc3)ccc3C)\C1=O)C,0.0
34059,CO-ADD:0301827,5.36,C(=C/c(cc1)ccc1C(O)=O)(/C(=O)NC(N2C)=O)\C2=O,0.0
34060,CO-ADD:0301873,5.36,C12=C(CC(C)(C)CC1=O)Nc(c3C2c4c(Cl)ccc(c4)[N+](=O)[O-])ccc(cccc5)c35,0.0
34061,CO-ADD:0302010,5.36,C(=N/NC(=O)c(ccc(c12)OCO1)c2)(/c3c(N4)ccc(F)c3)\C4=O,0.0
34062,CO-ADD:0303163,5.36,C(=C\c(ccc(c1OCC)OCCOc(cc2)ccc2C(C)(C)C)c1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
34063,CO-ADD:0303242,5.36,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCC2)C(=O)Nc4ccccc4OCC,0.0
34064,CO-ADD:0306875,5.36,C1(C2c(cc(OCC)c(c3[N+](=O)[O-])O)c3)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
34065,CO-ADD:0307252,5.36,c1(NC(CC)=O)c(Cl)nc(c(Cl)c1C)C,0.0
34066,CO-ADD:0312288,5.36,n1(c2ccccc2)nnnc1SCC(=O)Nc(cccc3[N+](=O)[O-])c3,0.0
34067,CO-ADD:0311096,5.36,C1(C2c(cc3)ccc3N(C)C)=C(CC(C)(C)CC1=O)Nc4n2ncn4,0.0
34068,CO-ADD:0311040,5.36,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3cc4c(cc3Br)OCO4,0.0
34069,CO-ADD:0305957,5.36,C(=O)(N(CC1)CCN1CCNC(=O)C(=O)Nc(cc2)ccc2OCCC)c3ccccc3Cl,0.0
34070,CO-ADD:0307515,5.36,c1(cc(Cl)ccc1NC(=O)c2ccc(c(OC)c2)OC)C(=O)NCc3ccco3,0.0
34071,CO-ADD:0307507,5.36,C(C(=O)c1ccc(cc1)OC)(C2c(cccc3[N+](=O)[O-])c3)=C(C(F)(F)F)OC(N)=C2C#N,0.0
34072,CO-ADD:0310916,5.36,[N+](=O)([O-])c1c(OCC)ccc(c1)C(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc(cc4)ccc4Cl,0.0
34073,CO-ADD:0311093,5.36,C1(C2c3ccccc3)=C(CC(C)(C)CC1=O)Nc4n2ncn4,0.0
34074,CO-ADD:0311161,5.36,N1(CCc(cccc2)c12)C(=O)C(C)Oc(ccc(c3C)Cl)c3,0.0
34075,CO-ADD:0311363,5.36,N1=C(SCCN(CC)CC)NC(C(CCCCCCCC)=C1O)=O.Cl,0.0
34076,CO-ADD:0320570,5.36,C(C(N)=O)(C(N)=N)N=Nc(cc1)ccc1OC(F)(F)F,0.0
34077,CO-ADD:0323527,5.36,c1(NC(COc2cccc(C)c2C)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
34078,CO-ADD:0323920,5.36,N(CC1)(CCN1CCC(=O)Nc(ccc(c2Br)C)c2)Cc3ccccc3,0.0
34079,CO-ADD:0323288,5.36,C1(C(=O)OC2CCCC2)=C(C)NC(NC1c(cc(OC)c(c3[N+](=O)[O-])O)c3)=O,0.0
34080,CO-ADD:0321453,5.36,c1(N2CCCCC2)nc(Nc(cc3)ccc3OC(F)(F)F)nc(Nc4scc(c5ccccc5)n4)n1,0.0
34081,CO-ADD:0320726,5.36,C(C(OC)=O)(NC(C)=O)(C(F)(F)F)Nc1sc(c(ccc2[N+](=O)[O-])n1)c2,0.0
34082,CO-ADD:0324696,5.36,c1(ccc(CNC(C)CC)o1)C(OC)=O.Cl,0.0
34083,CO-ADD:0323186,5.36,C(C(OC)=O)(C1c2ccc(cc2)F)=CN(C=C1C(OC)=O)C(c3ccccc3)C(OC)=O,0.0
34084,CO-ADD:0321296,5.36,C1(\C(=N\c2ccc(cc2OC)OC)\SS3)=C3C(Nc(cc(C)c(C)c4)c14)(C)C,0.0
34085,CO-ADD:0324523,5.36,C(=N\c(cc1)ccc1Cl)(/SC(C(=O)Nc(cc2)ccc2Cl)CC3=O)\N3CCC(C4)(CC5CC4CC6C5)C6,0.0
34086,CO-ADD:0300799,5.36,c1(NC(=O)C2CC2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OC,0.0
34087,CO-ADD:0300384,5.36,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc(cc2)ccc2C(O)=O,0.0
34088,CO-ADD:0304582,5.35,n1(C)c(SCC(=O)Nc2ccccc2)nnc1c3ccco3,0.0
34089,CO-ADD:0304519,5.35,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2Br)(C(=O)Nc3ccccc3OC)C1c(cco4)c4,0.0
34090,CO-ADD:0304887,5.35,c1(ccccc1NN)C(C)C.Cl,0.0
34091,CO-ADD:0304888,5.35,N(N)c(cc1)ccc1Cl.Cl,0.0
34092,CO-ADD:0305305,5.35,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccccc1F)Nc2sc3c(CCC(C(C)(C)C)C3)c2C#N,0.0
34093,CO-ADD:0305270,5.35,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(C)c4)c5cccc(OC)c5,0.0
34094,CO-ADD:0304808,5.35,S(=O)(=O)(c(cc1)ccc1n2ccc(c3ccc(cc3)Cl)n2)N(CCO)CCO,0.0
34095,CO-ADD:0303042,5.35,C(OC(C)C)(=O)Nc1c(C)ccc(c1)NC(OC(C)C)=O,0.0
34096,CO-ADD:0303284,5.35,c1(N(CC2)CCN2c(cc3)c(Cl)cc3[N+](=O)[O-])scc(c4ccc(cc4)Cl)n1,0.0
34097,CO-ADD:0301761,5.35,c1(NC(CCc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc(cc3)ccc3OC,0.0
34098,CO-ADD:0304172,5.35,N1(C(CCCCCCCCC)=O)c2c(cccc2)NC(=O)C1CC(=O)Nc(cc3)ccc3C(O)=O,0.0
34099,CO-ADD:0301315,5.35,C(=O)(Nc(cc1)ccc1C(C)(C)C)C(OCC)=O,0.0
34100,CO-ADD:0301243,5.35,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccc(OC)c4,0.0
34101,CO-ADD:0303254,5.35,c1(sc(cc1C(OCC)=O)CC)NC(=O)c2cc(ccc2N3CCCCCC3)[N+](=O)[O-],0.0
34102,CO-ADD:0302025,5.35,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c3c(cccc3[N+](=O)[O-])Cl,0.0
34103,CO-ADD:0301375,5.35,C(CC)(N\C(\O)=N\c1ccccc1C(OC)=O)(C(F)(F)F)C(F)(F)F,0.0
34104,CO-ADD:0301420,5.35,C1(=O)Oc(c(cc(c2OC(=O)NC3CCCCC3)Br)S1)c2,0.0
34105,CO-ADD:0302439,5.35,N1(c(cccc2C(F)(F)F)c2)C(=O)c3c(N=C1S)cccc3,0.0
34106,CO-ADD:0303946,5.35,C(C(OCC)=O)(C1c2ccc(cc2)F)=CN(C=C1C(OCC)=O)c3ccc(cc3)F,0.0
34107,CO-ADD:0305950,5.35,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c(C)c1C(OC)=O)C,0.0
34108,CO-ADD:0305942,5.35,c1(NC(COc(cc2)ccc2[N+](=O)[O-])=O)sc(c(C)c1C(OC)=O)C,0.0
34109,CO-ADD:0307307,5.35,N(c1c(cccc1)NC(CC(C)(C)CC2=O)=C23)(C3c(cc4)ccc4N(CC)CC)C(=S)NC5CCCCC5,0.0
34110,CO-ADD:0306743,5.35,C(NC(C)CNC(C1(CCCCC1)OC2=O)=C2)(C3(CCCCC3)OC4=O)=C4,0.0
34111,CO-ADD:0307319,5.35,N(c1c(cccc1)NC(CC(CC2=O)c(cc3OC)cc(c3OC)OC)=C24)(C(=O)C(F)(F)F)C4c5cccc(F)c5,0.0
34112,CO-ADD:0311945,5.35,N1(c2ccccc2)C(c(cccc3C(F)(F)F)c3)Nc(c4C1=O)cccc4,0.0
34113,CO-ADD:0312338,5.35,[N+](=O)([O-])c(cc1)cc(c1C(=O)NCC(c2ccccc2)=O)SCc3ccccc3,0.0
34114,CO-ADD:0310888,5.35,[N+](=O)([O-])c1c(NCCCNc2sc(c(ccc3[N+](=O)[O-])n2)c3)ccc(c1)C(F)(F)F,0.0
34115,CO-ADD:0310841,5.35,S(=O)(=O)(Nc1ccccc1)c(ccc(c2O3)N(C3=O)C)c2,0.0
34116,CO-ADD:0311135,5.35,N(Cc1ccccc1)(C(=O)C(C23)C(c4cccc(OCC)c4O)NC2(CCSC)C(O)=O)C3=O,0.0
34117,CO-ADD:0311189,5.35,C(C(=O)c1ccc(cc1)Cl)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCC(O)=O)=O,0.0
34118,CO-ADD:0319696,5.35,N(c1c(cccc1)NC(CC(c2ccc(cc2)Cl)CC3=O)=C34)(C(=O)c(cc5OC)cc(c5OC)OC)C4c6ccc(cc6)F,0.0
34119,CO-ADD:0320347,5.35,n1(c2ccccc2C(C)C)nc(c3c1CC(C)(C)CC3=O)C,0.0
34120,CO-ADD:0320727,5.35,C(C(OC)=O)(Nc1ccc(cn1)Cl)(C(F)(F)F)NC(=O)c2ccccc2F,0.0
34121,CO-ADD:0323789,5.35,n12c(cccc1Cl)nnc2c3ccc(c(OC)c3)OCC,0.0
34122,CO-ADD:0324846,5.34,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc3c4ccccc4[N+](=O)[O-])o3)\C1=N,0.0
34123,CO-ADD:0304715,5.34,N1(CCC#N)C(=O)c(c2C1=O)cccc2,0.0
34124,CO-ADD:0305212,5.34,n1c(C(C)(C)C)nc(c2c1N3CCCCC3)cccc2,0.0
34125,CO-ADD:0304551,5.34,c1(Nc(cc2)ccc2C(O)=O)c3c(ccc(OC)c3)ncc1C(OCC)=O,0.0
34126,CO-ADD:0304559,5.34,c1(NC(=O)c2ccc(c(OC)c2)OC)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3C(OCC)=O,0.0
34127,CO-ADD:0304575,5.34,N1(c2ccc(cc2)OC)C(=S)NN=C1c3ccco3,0.0
34128,CO-ADD:0304920,5.34,n1(Cc2ccccc2)nnnc1SCC(=O)Nc3ccccc3Oc4ccccc4,0.0
34129,CO-ADD:0304977,5.34,C(=C/c1cc(OC)ccc1OC)(/C(=O)NN2c3ccccc3)\C2=O,0.0
34130,CO-ADD:0305099,5.34,[n+]([O-])(c(N)ccc1[N+](=O)[O-])c1,0.0
34131,CO-ADD:0300610,5.34,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cc(F)ccc5F)cccc4,0.0
34132,CO-ADD:0302634,5.34,C(=C/c(cc1)ccc1F)(/C(O)=O)\NC(c2ccccc2)=O,0.0
34133,CO-ADD:0304263,5.34,N1(c2ccccc2)C(=O)C(CC)=C(N=C1SCC(=O)NC3CCCCC3)O,0.0
34134,CO-ADD:0302672,5.34,N1(c(ccc(c2s3)nc3SCC(=O)n4c5c(c(CCCC6)c46)cccc5)c2)C(=O)C(C7C1=O)C8CC7C=C8,0.0
34135,CO-ADD:0301640,5.34,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)OC)cccc4,0.0
34136,CO-ADD:0304100,5.34,C(C(C)=O)(C1c2ccc(cc2)OCC)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
34137,CO-ADD:0302185,5.34,S1(=O)(=O)c2c(C(=O)N1)ccc(c2)[N+](=O)[O-],0.0
34138,CO-ADD:0304044,5.34,C(C(C)=O)(C1c2ccc(cc2)F)=C(O)C(N1c3ccc(cc3)F)=O,0.0
34139,CO-ADD:0301328,5.34,c12c(n(c(SCc(cc3)ccc3F)n1)C(C)C)C(N(C)C(=O)N2C)=O,0.0
34140,CO-ADD:0303100,5.34,n1(c(cc2)ccc2C(OC)=O)nnnc1SCC(=O)Nc(cc3)ccc3OCC,0.0
34141,CO-ADD:0302154,5.34,[N+](=O)([O-])c1cccc(c1C)NC(=O)c2ccco2,0.0
34142,CO-ADD:0302127,5.34,c1(C(O)=O)cc(OC)c(cc1NC(CCCOc2ccc(cc2Cl)Cl)=O)OC,0.0
34143,CO-ADD:0303294,5.34,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc(c(C)cc(c2C(C)C)O)c2,0.0
34144,CO-ADD:0306786,5.34,C(C(OCCOCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccc(Oc4ccccc4)c3,0.0
34145,CO-ADD:0306736,5.34,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)NC(C)c4ccccc4)c1C)cc(OC)cc3,0.0
34146,CO-ADD:0305816,5.34,c1(NC(=O)c2cc(Cl)ccc2OC)sc(c(C)c1C(OC)=O)C,0.0
34147,CO-ADD:0310870,5.34,N(CCN1Cc(cc2)ccc2Cl)(Cc(cc3)ccc3Cl)C1\C=C\c4ccccc4,0.0
34148,CO-ADD:0312474,5.34,[C@@H]12O[C@@]3(C=C1)[C@@H]([C@@H]2C(OC)=O)C(N(C3)c4ccccc4)=O,0.0
34149,CO-ADD:0312092,5.34,S(=O)(=O)(Cc1ccccc1)c2cc(OC)ccc2C#N,0.0
34150,CO-ADD:0311046,5.34,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c(ccc(c3[N+](=O)[O-])Cl)c3,0.0
34151,CO-ADD:0311440,5.34,C(=N/c(cc1)ccc1F)(/SC(C(=O)Nc(cc2)ccc2OC)CC3=O)\N3C,0.0
34152,CO-ADD:0311484,5.34,c12c(n(cn1)CC\N=C(/CCCC3)\N3C)C(N(C)C(=O)N2C)=O.Cl,0.0
34153,CO-ADD:0312113,5.34,c1(c2ccccc2C)nnn(CC(=O)Nc3cccc(C)c3C)n1,0.0
34154,CO-ADD:0306172,5.34,C1(c2cc(Br)ccc2F)c3c(CCN1C(=O)CC(C)C)cc(OC)c(OC)c3,0.0
34155,CO-ADD:0307338,5.33,c1(SC2=C(C)c3c(NC2=O)cc(OCO4)c4c3)nnc(c5ccccc5)n1c6ccccc6,0.0
34156,CO-ADD:0319736,5.33,c1(N(C)C2=O)c(n(cn1)Cc3ccccc3)C(N2Cc(cc4)ccc4C#N)=O,0.0
34157,CO-ADD:0319753,5.33,c1(C2c3cc(Cl)cc(Cl)c3OC)c([nH]nc1c4ccc(cc4)OC)OC(N)=C2C#N,0.0
34158,CO-ADD:0320097,5.33,N(c1c(cccc1)NC(CC(c2ccco2)CC3=O)=C34)(C(c5ccccc5)=O)C4c6ccc(cc6)C,0.0
34159,CO-ADD:0319762,5.33,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1cccc(Cl)c1)Nc2sc(c3c2C#N)CC(CC3)C,0.0
34160,CO-ADD:0257703,5.33,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cc3)ccc3[N+](=O)[O-])c4sc(c5c4C(OCC)=O)CCCC5,0.0
34161,CO-ADD:0319116,5.33,C(COc(cc1)ccc1C2CCCCC2)(NCCOc(cc3)ccc3C)=O,0.0
34162,CO-ADD:0257239,5.33,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c3cccc(OC)c3)\N2,0.0
34163,CO-ADD:0283754,5.33,c1(N(CC2)CCO2)nc(NNC(=O)C34CC5CC(CC(C5)C3)C4)cc(N(CC6)CCO6)n1,0.0
34164,CO-ADD:0318666,5.33,c1(N)sc2c(ccc(c2)OC(F)(F)F)n1,0.0
34165,CO-ADD:0318730,5.33,N1(Cc(cccc2)c2C3(C)C)C(C)(C34)C(OC1=O)(C)CC4,0.0
34166,CO-ADD:0329030,5.33,S(=O)(=O)(c1ccc(cc1)Cl)NCc2c(c3ccccc3)cc(nc2SC)c4ccccc4,0.0
34167,CO-ADD:0326395,5.33,n1(c(C)c(nn1)C(OCC)=O)c2nc(OCC)nc(N(CC3)CCO3)n2,0.0
34168,CO-ADD:0326611,5.33,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(O)C(N2CCCN(CC)CC)=O,0.0
34169,CO-ADD:0326659,5.33,c1(OC(=O)C(=C2C)CC(OCC)=O)c2c(nn1c3ccccc3)C,0.0
34170,CO-ADD:0326771,5.33,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc(ccc(c4OCC)OCC)c4)c5ccc(cc5)Cl,0.0
34171,CO-ADD:0326776,5.33,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(c(Br)c4)C)c5ccc(cc5)OC,0.0
34172,CO-ADD:0326145,5.33,c(cc1)ccc1NC(N(c2ccccc2)C3=S)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5,0.0
34173,CO-ADD:0326457,5.33,N1(CCCO)C(\C=C\c(c(cccc2)c2n3C)c3)=Nc(c4C1=O)ccc(I)c4,0.0
34174,CO-ADD:0328524,5.33,C1(=C(C)N(N(c2ccccc2)C1=O)C)C(C(OC)=O)(C(F)(F)F)NC(=O)C(F)(F)F,0.0
34175,CO-ADD:0328804,5.33,C(Cc(ccc(c1OCC)OCC)c1)(=O)Nc(cc2)ccc2C\C(\N)=N\O,0.0
34176,CO-ADD:0328629,5.33,c12c(CCC(C(C)(C)C)C1)nc(nc2C(F)(F)F)SCC(c(cccc3)c3CC4(C)C)=N4,0.0
34177,CO-ADD:0329149,5.33,C(C(OC)=O)(=CN(CCCN1CCCC1=O)C=C2C(OC)=O)C2c3cccs3,0.0
34178,CO-ADD:0328566,5.33,N1(Cc2ccco2)C(=N)C(N=O)=C(NC1=O)O,0.0
34179,CO-ADD:0329589,5.33,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)Nc(cc2)ccc2OCC(O)=O,0.0
34180,CO-ADD:0332186,5.33,C(C(=O)c1ccc(cc1)OC)(C2c3cccc(OC)c3)=C(O)C(N2CCCn(ccn4)c4)=O,0.0
34181,CO-ADD:0332306,5.33,C1(=S)N(NC(=O)c2cccc(F)c2)C(C(=O)N1c(cc3)ccc3C(OCC)=O)CC(N)=O,0.0
34182,CO-ADD:0331778,5.33,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cc(OC)c(c4[N+](=O)[O-])O)c4,0.0
34183,CO-ADD:0331180,5.33,n1(CCc2ccccc2)c3c(nc1COc4ccccc4)cccc3,0.0
34184,CO-ADD:0331605,5.33,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCO)C,0.0
34185,CO-ADD:0331161,5.33,n(c(cccc1)c1n2CCOc3ccccc3)c2CCC,0.0
34186,CO-ADD:0331169,5.33,n1(Cc2ccccc2C)c3c(nc1COc(cc4)ccc4Cl)cccc3,0.0
34187,CO-ADD:0331553,5.33,c1(nc(c2ccc(OC)c(OC)c2)cc3C(F)(F)F)n3ncc1C(=O)OCC4CCCN5C4CCCC5,0.0
34188,CO-ADD:0331257,5.33,C(CCC(O)=O)(=C(C)NC(N1)=S)C1=O,0.0
34189,CO-ADD:0257541,5.33,C1(C(OCC)=O)=C(CNc2ccccc2C#N)NC(=O)N1,0.0
34190,CO-ADD:0257789,5.33,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4ccccc4C#N)\N2,0.0
34191,CO-ADD:0258013,5.33,c1(SCc(cc2)ccc2Br)nc(C)cc(C)n1,0.0
34192,CO-ADD:0257433,5.33,N1(c2ccccc2O)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(cc4)ccc4C(O)=O,0.0
34193,CO-ADD:0257953,5.33,N1(CN(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])N=C(OC1=S)c(cc4)ccc4C(C)(C)C,0.0
34194,CO-ADD:0278955,5.33,[N+](=O)([O-])c(cccc1C(=O)N(CC2)CCN2CCNC(=O)C(=O)NCc3ccco3)c1,0.0
34195,CO-ADD:0284150,5.33,C(=N\c1cccc(cccc2)c12)(/SC(C3=O)CC(=O)Nc(ccc(c4C)C)c4)\N3C,0.0
34196,CO-ADD:0326284,5.33,c1(C(=O)N(C)C(N2C)=O)c2nc([nH]c3C45CC6CC(CC(C6)C4)C5)n1c3,0.0
34197,CO-ADD:0326660,5.33,c1(C(=O)C2CC2)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)ccc(Cl)c3,0.0
34198,CO-ADD:0329803,5.33,n12c(c(c(c3ccc(cc3)Cl)c1C(=S)Nc4ccccc4)CCCC5)n5c(CNc(cc6)ccc6F)n2,0.0
34199,CO-ADD:0328716,5.33,N1(CC=C(CC1(C(OC)=O)C(F)(F)F)C)S(c2ccccc2)(=O)=O,0.0
34200,CO-ADD:0328828,5.33,C(c1ccccc1)(=O)Nc(cc2)ccc2CC#N,0.0
34201,CO-ADD:0328525,5.33,C(C(OC)=O)(C(F)(F)F)(NS(c1ccccc1)(=O)=O)c2c3c([nH]c2)cccc3,0.0
34202,CO-ADD:0329486,5.33,S(=O)(=O)(N(CC1)CCN1c2ccccc2F)c3c(OC)ccc(OC)c3,0.0
34203,CO-ADD:0329814,5.33,c(c(CCCC1)c(c2C(=S)Nc3cccc(C)c3)c4ccc(cc4)OC)(n15)n2cc5c6ccccc6,0.0
34204,CO-ADD:0329920,5.33,C1(C#N)=C(c2ccc(cc2)OC)C=C(SCC(c3ccccc3)=O)NC1=O,0.0
34205,CO-ADD:0327856,5.33,N(C(=O)c(ccc(c1Cl)OC)c1)C(=S)Nc(ccc(c2C(OCCCC)=O)Cl)c2,0.0
34206,CO-ADD:0329744,5.33,C1(C(F)(F)F)(NC(=O)c2cccc(OC)c2)C(=O)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
34207,CO-ADD:0329937,5.33,c1(s2)c(cc(COC(C)(C)C3)c3n1)c(c24)ncnc4NCCN(CC)CC,0.0
34208,CO-ADD:0329369,5.33,c1(c2ccco2)nnc(c(cccc3NC(=O)C(c4ccccc4)c5ccccc5)c3)o1,0.0
34209,CO-ADD:0330933,5.33,c(C(=O)Nc(cc1)ccc1OC)(sc(c23)nc(c(Cl)c2C)C)c3N,0.0
34210,CO-ADD:0331350,5.33,N1(C(C)(C)CC(c(cc(cc2)OC(=O)c3cccs3)c12)C)C(=O)c4cccs4,0.0
34211,CO-ADD:0330822,5.32,c12c(nc(C)c(Cl)c1C)sc(c(cc3)ccc3[N+](=O)[O-])c2n4cccc4,0.0
34212,CO-ADD:0332592,5.32,c1(cc(ccc1N(CC2)CCN2c3cc(ccc3[N+](=O)[O-])N(CC4)CCN4S(C)(=O)=O)C(F)(F)F)[N+](=O)[O-],0.0
34213,CO-ADD:0331596,5.32,c1(c(C)noc1N)C(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
34214,CO-ADD:0331157,5.32,c1([nH]c(c2n1)cccc2)C(CC(N3c4ccccc4)=O)C3,0.0
34215,CO-ADD:0331649,5.32,c1([nH]cnc1c(ccc(c2[N+](=O)[O-])OC)c2)[N+](=O)[O-],0.0
34216,CO-ADD:0332356,5.32,C(/C#N)(=C\c(ccc1c2ccc(cc2)Cl)o1)\C(=O)N(CC3)CCN3C(C)=O,0.0
34217,CO-ADD:0332045,5.32,C(Nc(cc1)ccc1F)(OC(C)=CC2=O)=C2C(C)=O,0.0
34218,CO-ADD:0332373,5.32,c1(SCC(NCCc2ccccc2)=O)[nH]c(c3n1)ccc(OCC)c3,0.0
34219,CO-ADD:0278906,5.32,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OCc(cc(OCO5)c5c6)c6Cl)c4)\C1=O,0.0
34220,CO-ADD:0319496,5.32,c1(sc(c2c1C(NCCc3ccccc3)=O)CCCC2)\N=C(\c4c(N5)cccc4)/C5=O,0.0
34221,CO-ADD:0326116,5.32,c1(NC(=O)CN(CC2)CCN2C)cc(on1)C,0.0
34222,CO-ADD:0326524,5.32,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(cc4)ccc4C(F)(F)F,0.0
34223,CO-ADD:0326501,5.32,C(C(OCC)=O)(C1c2scc(Br)c2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
34224,CO-ADD:0326189,5.32,C(Nc(cc1)ccc1F)(C(OC)=O)(C(F)(F)F)NC(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
34225,CO-ADD:0326197,5.32,P(N(C)C)(Oc1c(c2ccc1)cc(cc2)O3)Oc4c(c5ccc4)cc(cc5)OP3N(C)C,0.0
34226,CO-ADD:0324808,5.32,S(=O)(=O)(c(cc1)ccc1S(NCCC(C2)(C3)CC(CC3CC24)C4)(=O)=O)N(CC5)CCO5,0.0
34227,CO-ADD:0330067,5.32,c1(cc(OC)ccc1OC)C(=O)c(cc2)ccc2C(=O)Nc3ccccc3NC(=O)c(cccc4C(F)(F)F)c4,0.0
34228,CO-ADD:0329412,5.32,C(C(O)=O)(=CN(CC)c1c2cc(c(N(CC3)CCN3C(=S)NC(=O)c4cccc(Br)c4)c1)F)C2=O,0.0
34229,CO-ADD:0326666,5.32,C1(=O)Nc(ccc(c2)C)c2Oc(cc(cc3Oc4ccccc4C)[N+](=O)[O-])c13,0.0
34230,CO-ADD:0326803,5.32,c1(c2c(cccc2Cl)F)noc(C)c1C(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
34231,CO-ADD:0328943,5.32,c1(cc(ccc1N2CCC(CC2)Cc3ccccc3)[N+](=O)[O-])C4=NCCc(cccc5)c45,0.0
34232,CO-ADD:0328391,5.32,n1(CC)c(S)nnc1c(cc2)ccn2,0.0
34233,CO-ADD:0329647,5.32,C(F)(F)(F)Oc(cc1)ccc1NC(COc(cc2)ccc2CC(N)=O)=O,0.0
34234,CO-ADD:0326717,5.32,c1(SCC(=O)Nc2c(Cl)cc(cc2Cl)Cl)oc(c3n1)cccc3,0.0
34235,CO-ADD:0326254,5.32,N1(c2ccc(cc2)Cl)C(=O)CC(N(C3CCCC3)C(C)=O)C1=O,0.0
34236,CO-ADD:0326734,5.32,c(CN(c1ccc(cc1)F)C(=O)COc2ccccc2)(c(C)[nH]c3C(OCC)=O)c3C,0.0
34237,CO-ADD:0328426,5.32,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccco2)Cc(c(C)n(c3C(OCC)=O)[H])c3C,0.0
34238,CO-ADD:0329953,5.32,S(=O)(=O)(CC(=O)Nc(ccc(c1C(O)=O)O)c1)c2ccc(cc2Cl)C(F)(F)F,0.0
34239,CO-ADD:0327233,5.32,C12(Nc(cccc3)c3C(=O)N1c4ccc(cc4)C)c5c(N(Cc6ccccc6F)C2=O)cccc5,0.0
34240,CO-ADD:0328575,5.32,C1(C(F)(F)F)(C(F)(F)F)N=C(C)NC2=C1C(=O)NC(N2CCc(c3c([nH]4)cccc3)c4C)=O,0.0
34241,CO-ADD:0328583,5.32,N1(C(=O)c2ccc(cc2)Cl)N3C(=NC1=S)C=CC=C3C,0.0
34242,CO-ADD:0328631,5.32,N1(C(=O)c2ccco2)N3C(=NC1=S)C=CC=C3,0.0
34243,CO-ADD:0277748,5.32,n1(c2c(nn1)cccc2)C(=O)c3ccc(c(Br)c3)C,0.0
34244,CO-ADD:0278038,5.32,N1(c(cc2)ccc2C(C)C)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
34245,CO-ADD:0277610,5.32,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4ccc(c(OC)c4)OC,0.0
34246,CO-ADD:0331841,5.32,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C/c(cc3)ccc3OCC(O)=O)\C1=O)=O,0.0
34247,CO-ADD:0331238,5.32,n1(n2)c(nc(cc1C(F)(F)F)c3ccccc3)cc2C(=O)N(C)c4ccc(cc4)OC(F)(F)Cl,0.0
34248,CO-ADD:0319006,5.32,c12c(n(c(N(CC3)CCO3)n1)CC\N=C(/CCCCC4)\N4)C(N(C)C(=O)N2C)=O,0.0
34249,CO-ADD:0319350,5.32,n1(c2ccccc2)c(SC\C=C\c(cc3)ccc3[N+](=O)[O-])nnc1c4ccco4,0.0
34250,CO-ADD:0319153,5.32,c1(NC(COc2ccc(cc2F)F)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
34251,CO-ADD:0321135,5.32,c12c(cccc1C(=O)Oc(cc3)ccc3c4ccccc4)C5C(C(C(O)=O)N2)CC=C5,0.0
34252,CO-ADD:0319945,5.32,c1(C2c(cccn3)c3)c([nH]nc1c4ccc(c(OC)c4)OCC)OC(N)=C2C#N,0.0
34253,CO-ADD:0319795,5.32,c1(NC(COc2cccc(C)c2C)=O)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
34254,CO-ADD:0279015,5.32,N1(CC(O)=O)C(=O)\C(\SC1=S)=C\c(ccc2c3c(Cl)ccc(c3)[N+](=O)[O-])o2,0.0
34255,CO-ADD:0283313,5.32,N1(c2ccccc2)C(C(SC1=S)(C)C)\[N+](\[O-])=C\c3c4c([nH]c3)cccc4,0.0
34256,CO-ADD:0319558,5.32,n1(CC=C)c(SCC(=O)Nc2ccccc2F)nnc1c(cccn3)c3,0.0
34257,CO-ADD:0319079,5.32,[N+](=O)([O-])c1ccccc1NCCOc2ccccc2,0.0
34258,CO-ADD:0319448,5.31,C1(=Cc(c2OC1c3ccc(c(OC)c3)OC)cc(cc2OC)Br)[N+](=O)[O-],0.0
34259,CO-ADD:0328975,5.31,S1(CCC(C1)OC(=O)NC(=O)c(ccc(c2Cl)Cl)c2)(=O)=O,0.0
34260,CO-ADD:0328863,5.31,c12c(CCNC1c3cccc(c3)C(OC)=O)cc(c(OCC)c2)OCC.Cl,0.0
34261,CO-ADD:0329016,5.31,C1(C#N)=C(C)C=C(N(CC(C)O)C1=O)C,0.0
34262,CO-ADD:0328440,5.31,C1(=O)Nc2c(Oc(cc(cc3Oc4ccccc4)[N+](=O)[O-])c13)ccc(Cl)c2,0.0
34263,CO-ADD:0325990,5.31,c12c(n(c(Sc(c3c4cccc3)c5c(n4)cccc5)n1)C)C(N(C)C(=O)N2C)=O,0.0
34264,CO-ADD:0328858,5.31,c1(C(c2ccccc2)=O)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)ccc(Cl)c3,0.0
34265,CO-ADD:0327987,5.31,n(c(c1ccc(cc1)O)c2c(c3Nc(cc4)ccc4OC(Cl)(F)F)cccc2)n3,0.0
34266,CO-ADD:0328059,5.31,C1(C2)([N+](=O)[O-])C(CC(c3ccccc3)=O)C(C(=O)C=C1)(CN2CC)[N+](=O)[O-],0.0
34267,CO-ADD:0327931,5.31,c1(n[nH]c2c1c(COC)cc(n2)C)N=P(c3ccccc3)(c4ccccc4)c5ccccc5,0.0
34268,CO-ADD:0330004,5.31,C(O1)(C2=O)C(C(N1c3ccccc3)c4ccc(cc4)O)C(N2c5ccccc5)=O,0.0
34269,CO-ADD:0326163,5.31,c1(c2c(cs1)CCCC2)C(=O)NC3CCCCC3,0.0
34270,CO-ADD:0327929,5.31,n(c(N)nc(n1)N)c1N,0.0
34271,CO-ADD:0329567,5.31,S(=O)(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(OCC)=O)c2c(OC)ccc(OC)c2,0.0
34272,CO-ADD:0328247,5.31,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)cc(c(c2C)NS(=O)(=O)c3ccc(cc3)Cl)C,0.0
34273,CO-ADD:0329930,5.31,c1(c2ccco2)nnc(c3ccc(cc3)Cl)o1,0.0
34274,CO-ADD:0331772,5.31,C1(CCC(NC1c(cccc2[N+](=O)[O-])c2)=O)[N+](=O)[O-],0.0
34275,CO-ADD:0259596,5.31,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
34276,CO-ADD:0259453,5.31,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3F)\N2Cc4ccccc4)N(CC5)CCO5.Br,0.0
34277,CO-ADD:0331288,5.31,[N+](=O)([O-])CC(O)c(cc1)ccn1,0.0
34278,CO-ADD:0332342,5.31,c(nc(c1ccco1)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(CC4)CCN4C56CC(CC7C5)CC(C7)C6,0.0
34279,CO-ADD:0330998,5.31,c(c1CCCC2)(n23)n(cc1c4ccc(cc4)Br)nc3COc5ccccc5,0.0
34280,CO-ADD:0331968,5.31,c1(SCC(=O)N(c2ccccc2)c3ccccc3)nc(C)ccc1C#N,0.0
34281,CO-ADD:0332416,5.31,C1(C(OC)=O)(C(F)(F)F)N=C(c2ccc(cc2)F)N(C3=N1)C=CC=C3C,0.0
34282,CO-ADD:0331683,5.31,n1(n2)c(NC(c3ccc(cc3)Cl)CC1C(F)(F)F)cc2C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
34283,CO-ADD:0258587,5.31,N1(Cc(cc2)ccc2S(N)(=O)=O)\C(=N\c3ccccc3)\SC=C1c4ccc(cc4)Br.Br,0.0
34284,CO-ADD:0257820,5.31,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2)cc(c2Oc3ccc(cc3C#N)[N+](=O)[O-])OC,0.0
34285,CO-ADD:0258036,5.31,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5OC)cc(c5OCc6ccccc6Cl)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
34286,CO-ADD:0319968,5.31,C(CC(=O)Nc1ccccc1F)(c2c3cccc2)c4c(O3)cccc4,0.0
34287,CO-ADD:0319336,5.31,C12(Nc(cccc3)c3C(=O)N1c4ccccc4)c5c(N(Cc6cccc(cccc7)c67)C2=O)cccc5,0.0
34288,CO-ADD:0319961,5.31,c1(ccc(cc1Cl)Cl)C(=O)Nc2cccc(cccn3)c23,0.0
34289,CO-ADD:0319352,5.31,n1(C)cnnc1SCc(c2c3cccc2)c4c(c3CSc5nncn5C)cccc4,0.0
34290,CO-ADD:0321114,5.31,c1(NC(=O)c(cc2)cc(c2[N+](=O)[O-])C)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
34291,CO-ADD:0321154,5.31,C(/C(OC)=O)(\C(F)(F)F)=C(\F)/Sc(ccc(c1C)O)c1,0.0
34292,CO-ADD:0319033,5.31,c1(NC(COc(ccc(c23)OCO2)c3)=O)sc(c(C)c1C(OC)=O)C,0.0
34293,CO-ADD:0279141,5.31,c1(C2=O)c(c(c(Cl)c(Cl)c1Cl)Cl)C(N2CCC(O)=O)=O,0.0
34294,CO-ADD:0279165,5.31,c(c1)(C(=O)N2)c(C(=N2)C)cc(C(N3)=O)c1C(C)=N3,0.0
34295,CO-ADD:0278934,5.31,N12C(S\C(=C\c(c3c([nH]4)cccc3)c4)\C1=O)=NC(C)=C(C(OCC)=O)C2c5ccc(c(cccc6)c56)OC,0.0
34296,CO-ADD:0283584,5.31,[N+](=O)([O-])c1cc(cc2c1C=Cc3c(ccc(OC)c3)O2)[N+](=O)[O-],0.0
34297,CO-ADD:0283721,5.31,c1(ccco1)C(C2)CC(CC2=O)=O,0.0
34298,CO-ADD:0283737,5.3,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(cc4OC)cc(c4OC5=O)S5)\C1=O,0.0
34299,CO-ADD:0324034,5.3,c1(SCC(=O)NCc2ccccc2)[nH]c(c3n1)ccc(OCC)c3,0.0
34300,CO-ADD:0324543,5.3,c12c(ccc(C(N)=O)c1N=[N+]=[N-])C(=O)c(c3C2=O)cccc3,0.0
34301,CO-ADD:0321561,5.3,c12c(c3c(cccc3)[nH]1)nnc(N\N=C\c(cc4)ccc4NC(C)=O)n2,0.0
34302,CO-ADD:0327146,5.3,C1(Nc(cc2)ccc2C)=NCCCS1,0.0
34303,CO-ADD:0327154,5.3,C(C(=O)c1ccc(cc1)OC)(C2c(cc3)ccc3N(C)C)=C(O)C(N2Cc4ccco4)=O,0.0
34304,CO-ADD:0326383,5.3,c1(NC(NCC)=S)n[nH]c2c1c(C)cc(n2)Cl,0.0
34305,CO-ADD:0326136,5.3,C1(=S)NC(NN1c2ccc(c(C)c2)C)(CCC)CCC,0.0
34306,CO-ADD:0326338,5.3,c(CN(c1ccc(cc1)F)C(C(C)C)=O)(c(C)[nH]c2C(OCC)=O)c2C,0.0
34307,CO-ADD:0284919,5.3,c1(c2c(cccc2)c(nn1)C)Nc3ccccn3,0.0
34308,CO-ADD:0326187,5.3,n1(c2c(n3)cccc2)c3S\C(=C/c(cc(n4C5CCCC5)C)c4C)\C1=O,0.0
34309,CO-ADD:0326035,5.3,n12c(ccc(N3CCCCC3)n1)nnc2c4ccc(cc4)Cl,0.0
34310,CO-ADD:0277684,5.3,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3OC)\N2C4CCCCC4,0.0
34311,CO-ADD:0327755,5.3,n1(c2ccc(cc2)OC)nnnc1SCC(=O)N3c4c(C(CN(C)CC5)C35)cc(C)cc4,0.0
34312,CO-ADD:0277908,5.3,C(C(O)c1cccs1)#CC(C)(C)O,0.0
34313,CO-ADD:0327546,5.3,c(nn(c12)c(C)c(c(C)n1)C)(S(=O)(=O)N(CCC)CCC)n2,0.0
34314,CO-ADD:0328240,5.3,c1(c(O)c(C)c(c(NS(c2ccccc2)(=O)=O)c1)C)S(=O)(=O)c3ccc(cc3)OC,0.0
34315,CO-ADD:0328248,5.3,S(c1ccccc1)(=O)(=O)c2c(O)c(C)cc(NC(c3ccccc3)=O)c2C,0.0
34316,CO-ADD:0328256,5.3,c([nH]c(c1O)c2ccc(cc2)Cl)(C3=O)c1N(C(=O)N3C)C,0.0
34317,CO-ADD:0328249,5.3,c1(c(O)c(C)c(c(NC(c2ccccc2)=O)c1)C)S(c3ccccc3)(=O)=O,0.0
34318,CO-ADD:0331192,5.3,c1(\C=C\c2ccccc2)n(CCCOc3ccccc3)c4c(cccc4)n1,0.0
34319,CO-ADD:0332508,5.3,S(=O)(=O)(N(C)CC(O)=O)c1cccc(cccc2Cl)c12,0.0
34320,CO-ADD:0331715,5.3,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)C)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
34321,CO-ADD:0259501,5.3,C(=O)(c1ccccc1C(O)=O)Nc2c(C)cc(cc2Cl)C,0.0
34322,CO-ADD:0330788,5.3,C1(c(cc2OC)cc(c2O)Cl)OC(CC)(CC)c3c(cccc3)N1,0.0
34323,CO-ADD:0330749,5.3,C1(O)(C(F)(F)F)c2c(OC1=O)ccc(OC)c2,0.0
34324,CO-ADD:0330782,5.3,N(\C(=C\c1cc(OC)c(cc1[N+](=O)[O-])OC)\C(O2)=O)=C2c3ccc(cc3)Cl,0.0
34325,CO-ADD:0330900,5.3,C1(C(OC)=O)=C(C(=O)c2ccc(cc2)F)C(NC(=NN=N3)C13)c4ccccc4,0.0
34326,CO-ADD:0331974,5.3,c1(SCC(=O)N(c2ccccc2)c3ccccc3)nc(CCC)ccc1C#N,0.0
34327,CO-ADD:0332503,5.3,C(NCCC(NCCOCc1ccccc1)=O)(=O)Nc2cccc(Cl)c2,0.0
34328,CO-ADD:0331387,5.3,c1(Cc2cccc(cccc3)c23)nc(c4n1CCC(C)C)cccc4,0.0
34329,CO-ADD:0283644,5.3,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cc3)ccc3[N+](=O)[O-])c4sc(c5c4C(OC)=O)CCCCC5,0.0
34330,CO-ADD:0284786,5.3,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(=O)N\N=C\c(cc3)ccc3OCC,0.0
34331,CO-ADD:0259239,5.3,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c(cc2)ccc2[N+](=O)[O-],0.0
34332,CO-ADD:0319171,5.3,N1(C(C)(C)C\C(\CC1(C)C)=N/O)OC(=O)c2ccco2,0.0
34333,CO-ADD:0320444,5.3,C1=C(NCCc(ccc(c2OC)OC)c2)C3(OC1=O)CCCCC3,0.0
34334,CO-ADD:0320484,5.3,c1(NC(=S)NC(=O)c2ccccc2Br)sc(c3c1C#N)CCCCCC3,0.0
34335,CO-ADD:0283489,5.3,c1(nonc1CC(O)=O)[N+]([O-])=Nc2nonc2CC(O)=O,0.0
34336,CO-ADD:0283521,5.3,c1(SCC(=O)Nc(cc2)ccc2C(C)C)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
34337,CO-ADD:0278688,5.3,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCc(cc(OCO5)c5c6)c6Cl,0.0
34338,CO-ADD:0319004,5.3,C(=O)(Nc1c(C)cc(cc1C)Br)c2ccc(cc2Cl)Cl,0.0
34339,CO-ADD:0321126,5.29,S(N)(=O)(=O)c1ccc(cc1)CCNC(=O)c2cccs2,0.0
34340,CO-ADD:0327335,5.29,n(CCC1=CCCCC1)(c2c(c3C(C)=O)cc(O)cc2)c3C,0.0
34341,CO-ADD:0327359,5.29,C1(Cl)(Cl)CC1c2ccccc2N,0.0
34342,CO-ADD:0327759,5.29,c1(cc(F)c(cc1Cl)F)C(=O)NC2C(C3)CC(CC3C4)CC24,0.0
34343,CO-ADD:0277578,5.29,C(=C(C)NC(=C1C#N)SCCCCCC)(C(=O)Nc2ccccc2OC)C1c3ccco3,0.0
34344,CO-ADD:0327344,5.29,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)NCc3ccco3,0.0
34345,CO-ADD:0327531,5.29,N(CC1)(CCN1CC(=O)Nc(cc2)ccc2OC(F)(F)F)c3ccccc3C,0.0
34346,CO-ADD:0328127,5.29,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2)c1)NC(CC)C34CC(CC(C5)C3)CC5C4,0.0
34347,CO-ADD:0329513,5.29,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccs2)NC3=C1C(=O)NC(N3CCc(ccc(c4OCC)OCC)c4)=O,0.0
34348,CO-ADD:0328289,5.29,S(=O)(=O)(N(CC1)CCN1c2ccc(c(C)c2)C)c3c(C)cc(cc3C)C,0.0
34349,CO-ADD:0327930,5.29,c1([nH]2)c(c(cc(C)n1)COC)c(n2)N,0.0
34350,CO-ADD:0327946,5.29,c1(OCC)cc(CCC(C)=O)ccc1OCC,0.0
34351,CO-ADD:0327995,5.29,c12c(ccc(C(=O)Nc(cc3)ccc3Cl)c1SCC)C(=O)c(c4C2=O)cccc4,0.0
34352,CO-ADD:0326292,5.29,C(F)(F)(F)c(cc1)ccc1C(=O)Nc2ccccc2Cl,0.0
34353,CO-ADD:0277925,5.29,c1(C)cc(C)ccc1NCCC(c2ccccc2)=O,0.0
34354,CO-ADD:0259370,5.29,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccc(cc3)OC,0.0
34355,CO-ADD:0332005,5.29,n(CCOc1ccccc1)(c(ncnc2N)c2n3)c3S,0.0
34356,CO-ADD:0331122,5.29,n1(c2ccccc2OC)c(CCC(O)=O)ccc1c3ccc(cc3)C,0.0
34357,CO-ADD:0331154,5.29,n(CCC1CCCCC1)(c2c(n3)cccc2)c3CC,0.0
34358,CO-ADD:0277506,5.29,c12c(n(c(SCC(=O)Nc(cc3)ccc3F)n1)C)C(N(C)C(=O)N2C)=O,0.0
34359,CO-ADD:0259960,5.29,N1(c(ccc(c2s3)nc3SCC(=O)c(ccc4c5Cc(c46)cccc6)c5)c2)C(=O)c(c7C1=O)cccc7,0.0
34360,CO-ADD:0331629,5.29,S(=O)(=O)(c(cc1)ccc1C(C)C)N(CC2)CCN2C34CC(CC5C3)CC(C5)C4,0.0
34361,CO-ADD:0330819,5.29,c1(C(OC)=O)sc2c(c(C)cc(C)n2)c1n3cccc3,0.0
34362,CO-ADD:0330915,5.29,c1(C(=O)Nc(cc2)ccc2OC)sc3c(c(COC)cc(C)n3)c1N,0.0
34363,CO-ADD:0331560,5.29,n1(Cc2ccccc2)c3c(c(CCCC(=O)NC(c(cccc4[N+](=O)[O-])c4)CC(OCC)=O)c1)cccc3,0.0
34364,CO-ADD:0331561,5.29,c12c(cccc1C(F)(F)F)c(c(C)[nH]2)CCNC(CCCc(c(cccc3)c3n4Cc5ccccc5)c4)=O,0.0
34365,CO-ADD:0331276,5.29,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)NNC(NCC)=O,0.0
34366,CO-ADD:0320554,5.29,[nH]1c(C)c(c(cc(Cl)cc2Cl)c12)CCN,0.0
34367,CO-ADD:0319392,5.29,n1(c2ccccc2)c(SCc3[nH]c(c4n3)cccc4)nnc1c5cccc(OC)c5,0.0
34368,CO-ADD:0321170,5.29,C1(C(F)(F)F)(c2cccn2C)NN(C(N)=C1C#N)c3ccccc3,0.0
34369,CO-ADD:0320382,5.28,c1(SCc(cccc2[N+](=O)[O-])c2)[nH]c(c3n1)cccc3,0.0
34370,CO-ADD:0319861,5.28,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCN(CC3)CCN3C(C)=O,0.0
34371,CO-ADD:0321166,5.28,c1(c2c([nH]c1c3ccccc3)cccc2)S\C(\F)=C(/C(OC)=O)\C(F)(F)F,0.0
34372,CO-ADD:0318950,5.28,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCN3C)n2)CC(=O)c4ccc(cc4)Br,0.0
34373,CO-ADD:0327384,5.28,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4cc(OC)c(cc4OC)OC)cc(c(C)c3)C,0.0
34374,CO-ADD:0327504,5.28,c1(N(C)C2=O)c(n(c(SCC(=O)N3c4c(C(CN(C)CC5)C35)cc(C)cc4)n1)C)C(N2Cc6ccccc6Cl)=O,0.0
34375,CO-ADD:0328754,5.28,c1(c(C)cc(nc1Cl)Cl)C(=O)Nc2ccccc2F,0.0
34376,CO-ADD:0328963,5.28,n1(c2ccccc2)ncc(CO)n1,0.0
34377,CO-ADD:0328899,5.28,c12c(nnc(SCC(=O)Nc(ccc(c3F)F)c3)n1)c4c(cccc4)n2CCC,0.0
34378,CO-ADD:0329537,5.28,N1(c(cc2)ccc2C(O)=O)C(=O)c3c(c(cc(c4[N+](=O)[O-])O)C1=O)c4ccc3,0.0
34379,CO-ADD:0329553,5.28,n1(N)c(CSCCc2ccccc2)nnc1CSCCc3ccccc3,0.0
34380,CO-ADD:0327682,5.28,n1(c2ccc(cc2)OCC(=O)Nc(cc3)cc(c34)ccc(C)n4)cnnn1,0.0
34381,CO-ADD:0329947,5.28,C(=O)(Nc(ccc(c1Cl)Cl)c1)C2(CCCC2)c3ccccc3,0.0
34382,CO-ADD:0327827,5.28,c1(cc(ccc1N(CC2)CCN2C(=O)Nc(cccc3C(F)(F)F)c3)C(F)(F)F)[N+](=O)[O-],0.0
34383,CO-ADD:0327115,5.28,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5ccc(cc5)SC)cccc4,0.0
34384,CO-ADD:0327147,5.28,n1(c(CCCC)nn2)c2SCC(c3ccc(cc3)Cl)=N1.Br,0.0
34385,CO-ADD:0327171,5.28,C(C(=O)c1ccc(cc1)OC)(C2c(cc3)ccc3C(OC)=O)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
34386,CO-ADD:0327325,5.28,C12(NC(C(C(N3c4ccccc4)=O)C1C3=O)C)C(=O)c(c5C2=O)cccc5,0.0
34387,CO-ADD:0328478,5.28,c1(cccc(NC(C)=O)c1O)C(=O)Oc2ccc(cc2C(C)=O)Cl,0.0
34388,CO-ADD:0332466,5.28,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(O)C(N2CC(C)N)=O,0.0
34389,CO-ADD:0331994,5.28,C(=O)(N(CC1)CCN1C)c2ccccc2NC(=O)c3ccc(cc3)F,0.0
34390,CO-ADD:0332498,5.28,C(F)(F)(C(F)(F)COc1ccc(cc1[N+](=O)[O-])C(N)=O)C(F)(F)C(F)F,0.0
34391,CO-ADD:0331066,5.28,c(CC(NC(C)=O)C(=O)NCc(cc1)ccc1C(C)(C)C)(c2c([nH]3)cccc2)c3,0.0
34392,CO-ADD:0330714,5.28,c1(cc(OC)c(c2)OC)c2C(CC(=O)N1)c(cc3)ccc3C(F)(F)F,0.0
34393,CO-ADD:0330762,5.28,c1(cc(OCO2)c2cc1[N+](=O)[O-])C3CC(=O)Nc(cc(CCC4)c4c5)c35,0.0
34394,CO-ADD:0332083,5.28,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)(=O)(=O)c3ccc(cc3)OC,0.0
34395,CO-ADD:0330755,5.28,c1(C#N)c(SCc2[nH]c(c3n2)cccc3)nsc1SCc4[nH]c(c5n4)cccc5,0.0
34396,CO-ADD:0331166,5.28,n1c2c([nH]c1CNC(c3ccccc3)=O)cccc2,0.0
34397,CO-ADD:0260123,5.28,C(C(OCC)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(C)N(C(C)=C1C(OCC)=O)c3ccc(cc3)Cl,0.0
34398,CO-ADD:0331646,5.28,n1cn(cc1c2ccc(cc2)F)CC(N)=O,0.0
34399,CO-ADD:0331511,5.28,c1(COc2ccc(cc2Cl)Cl)n(CCC)c3c(cccc3)n1,0.0
34400,CO-ADD:0258346,5.28,C(=O)(NCc1ccccc1)C(NCCN(CC2)CCN2Cc(cc3)ccc3Br)=O,0.0
34401,CO-ADD:0331213,5.28,n1(nnc(C(OCC)=O)c1CNc(cc2)ccc2F)c3nonc3N,0.0
34402,CO-ADD:0331412,5.28,c(NC(COc1ccc(cc1C2CCCCC2)Cl)=O)(c(C(N)=O)nn3c4ccccc4)n3,0.0
34403,CO-ADD:0330940,5.28,c1(sc(c23)nc(c(Cl)c2C)C)c3nnn(c4c(cccc4)n5)c15,0.0
34404,CO-ADD:0331217,5.28,C(C(O)=O)C(c1ccc(c(OC)c1)OCC)NC(Cc2ccccc2)=O,0.0
34405,CO-ADD:0321171,5.28,C(F)(F)(C(F)(F)F)c1nc(ccc(c2)OC)c2c(N)c1C#N,0.0
34406,CO-ADD:0320011,5.28,c1(C2OC(CC)(CC)c3c(cccc3)N2)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
34407,CO-ADD:0319468,5.28,[N+](=O)([O-])c(cc(cc1C(NCCOc(cc2)ccc2Cl)=O)C(NCCOc(cc3)ccc3Cl)=O)c1,0.0
34408,CO-ADD:0319100,5.28,[N+](=O)([O-])c1ccccc1C(NCCOc2ccccc2)=O,0.0
34409,CO-ADD:0318812,5.28,c1(NC(COc(cc2C)cc(c2Cl)C)=O)sc(c3c1C#N)CCC3,0.0
34410,CO-ADD:0320360,5.28,c1(c2ccc(cc2)Cl)nonc1N,0.0
34411,CO-ADD:0319886,5.28,c1(N2CCCCC2)nc(Nc(cc3)ccc3OC(F)(F)F)nc(NC(C)(C)C)n1,0.0
34412,CO-ADD:0320590,5.28,c1(N)n(c2ccc(cc2)OC(F)(F)F)ncc1C(OCC)=O,0.0
34413,CO-ADD:0320158,5.28,C1(C2c3ccc(cc3)O)=C(CCCC1=O)Nc(ccc4c5ccc(n4)C)c25,0.0
34414,CO-ADD:0320500,5.28,C(=N/c1ccccc1)(/SC(C(=O)Nc(cc2)ccc2OC(Cl)(F)F)CC3=O)\N3C,0.0
34415,CO-ADD:0328907,5.27,c(cc1)ccc1N(C(c2cccc(F)c2)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5)C3=S,0.0
34416,CO-ADD:0328996,5.27,C(Sc(cc1)ccc1C)(c2c3cccc2)=NNC(=N3)c4ccccc4,0.0
34417,CO-ADD:0329565,5.27,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)NC(c2ccc(cc2)OC)CC(OCC)=O,0.0
34418,CO-ADD:0327799,5.27,c1(O)c(CN2CCCCCC2)c(Oc(c(CN3CCOCC3)c(O)c(C\C=C(/C)\C)c4O)c4C5=O)c5c(C\C=C(/C)\C)c1OC,0.0
34419,CO-ADD:0327859,5.27,C(Cc1ccccc1)(C(=O)Nc2ccccc2F)C(=O)Nc3ccccc3F,0.0
34420,CO-ADD:0329387,5.27,N1(C(=O)c2ccc(cc2)Cl)N(C=CS3)C3=NC1=S,0.0
34421,CO-ADD:0327779,5.27,n1(c2ccc(cc2)Cl)nnnc1SCC(=O)N3c4c(cccc4)Sc(ccc(Cl)c5)c35,0.0
34422,CO-ADD:0329884,5.27,c1(C(=O)N(c2ccc(cc2)F)N=C3C(OCC)=O)c3csc1N,0.0
34423,CO-ADD:0327364,5.27,N1(c(cccc2C(F)(F)F)c2)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccc(cc4C)Cl,0.0
34424,CO-ADD:0327380,5.27,N1(c2ccc(cc2)F)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccc(cc4C)Cl,0.0
34425,CO-ADD:0328210,5.27,S(=O)(=O)(c1ccc(cc1)OC)c2cc(cc(C)c2O)NS(c3ccccc3)(=O)=O,0.0
34426,CO-ADD:0326178,5.27,C(C(OC)=O)(C(F)(F)F)(N=C1c2ccc(cc2)C)N=C3N1C=C(C=C3Cl)Cl,0.0
34427,CO-ADD:0326442,5.27,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3ccccc3C,0.0
34428,CO-ADD:0328799,5.27,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(CC1=O)NNc3c(Cl)cc(cn3)Cl,0.0
34429,CO-ADD:0326807,5.27,n12c(SCC(c3ccc(cc3)Cl)=N1)nnc2COc(cc4)ccc4C(C)(C)C,0.0
34430,CO-ADD:0332300,5.27,C1(=S)N(NC(=O)c2cccc(F)c2)C(C(=O)N1c3ccc(cc3)Cl)CC(N[H])=O,0.0
34431,CO-ADD:0330763,5.27,[N+](=O)([O-])c1ccccc1C2CC(=O)Nc(cc(OCO3)c3c4)c24,0.0
34432,CO-ADD:0331143,5.27,n(c1c(n2)cccc1)(CC(=O)N(C(C)C)c3ccccc3)c2,0.0
34433,CO-ADD:0331700,5.27,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)C)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
34434,CO-ADD:0331767,5.27,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cccc(O)c5,0.0
34435,CO-ADD:0330837,5.27,c1(OC)nc(OC)cc(C)c1C(N)=O,0.0
34436,CO-ADD:0331430,5.27,S(=O)(=O)(CC(C12)CC(N1C3CCCCC3)=O)C2,0.0
34437,CO-ADD:0257486,5.27,C1(C(=O)OC(C)CC)=C(C)NC(NC1c2cccc(cccc3)c23)=O,0.0
34438,CO-ADD:0258014,5.27,c1(sc(c(c2ccccc2)n1)CCC)N(c3ccc(cc3)OC)C(=O)c4ccc(cc4)C,0.0
34439,CO-ADD:0319070,5.27,S(C)(=O)(=O)N(CC(=O)Nc(cccc1C(F)(F)F)c1)c2cc(C)cc(C)c2,0.0
34440,CO-ADD:0258569,5.27,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\NC(=O)c(cccn3)c3)o2)OC)c1,0.0
34441,CO-ADD:0257685,5.27,C(/C(C)=NN1c2ccc(cc2)C)(=C\c3cccc(cccc4)c34)\C1=O,0.0
34442,CO-ADD:0319208,5.27,c1(c2c(sc1NC(COc3ccccc3[N+](=O)[O-])=O)CCCC2)C(=O)OC(C)C,0.0
34443,CO-ADD:0318888,5.27,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)Br)c24,0.0
34444,CO-ADD:0320465,5.27,[N+](=O)([O-])c1cc(ccc1OC)CSc(cc2)ccc2Sc(cc3)ccc3SCc(ccc(c4[N+](=O)[O-])OC)c4,0.0
34445,CO-ADD:0318865,5.27,C(=N\c(ccc(c1C(F)(F)F)Cl)c1)(/SC(C(=O)Nc(cc2)ccc2OCC)CC3=O)\N3C,0.0
34446,CO-ADD:0318855,5.27,c1(C2c3cc(OC)ccc3OC)c([nH]nc1c4ccc(cc4)F)OC(N)=C2C#N,0.0
34447,CO-ADD:0318924,5.27,N1(Cc(nc(N)nc2N3CCCCC3)n2)c4c(OC1=O)cccc4,0.0
34448,CO-ADD:0320501,5.27,N1(Cc(cc2)ccc2OC)\C(=N\c(cc3)ccc3Cl)\SC(C(=O)Nc(cc4)ccc4OC(F)(F)Cl)CC1=O,0.0
34449,CO-ADD:0318788,5.27,c1(NC(COc(cc2)cc(c2[N+](=O)[O-])C)=O)sc(c(C)c1C(OCC)=O)C,0.0
34450,CO-ADD:0319491,5.27,n1(c2ccccc2)c(SCc(cc3)ccc3C(O)=O)nnc1Cc4ccccc4,0.0
34451,CO-ADD:0329503,5.27,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2C(=O)c3ccc(cc3)C,0.0
34452,CO-ADD:0326877,5.27,n1(n2)c(nc(cc1C(F)(F)Cl)c3cccs3)cc2C(=O)N4CCC(CC4)C(OCC)=O,0.0
34453,CO-ADD:0328840,5.27,S(C(N(C)C(=O)c(c(cccc1)c1s2)c23)=N3)[C@H](O[C@@H]4COC(c5ccccc5)=O)[C@H](OC(c6ccccc6)=O)[C@@H](OC(c7ccccc7)=O)[C@@H]4OC(c8ccccc8)=O,0.0
34454,CO-ADD:0329792,5.27,c12c(cc(OCO3)c3c1)NC(=O)CC2c4ccccc4Br,0.0
34455,CO-ADD:0329504,5.27,[N+](=O)([O-])c(cccc1C(=O)N(CC2)CCN2c3cc(C)ccc3C)c1,0.0
34456,CO-ADD:0326693,5.27,c12c(ccc(C(=O)Nc3cccc(Cl)c3)c1SCC)C(=O)c(c4C2=O)cccc4,0.0
34457,CO-ADD:0327532,5.27,C(C1(CCCC1)O)#CC(C)(C)O,0.0
34458,CO-ADD:0328486,5.27,n12c(c3c(cccc3)c(NCCCO)n1)nnc2C(F)(F)C(F)(F)F,0.0
34459,CO-ADD:0328654,5.27,S(=O)(=O)(c(cc1)ccc1C(NCCC(C2)(CC3CC2CC4C3)C4)=O)N5CCCCC5,0.0
34460,CO-ADD:0328670,5.27,C1(SC2c3ccccc3)=C(SC(=O)N1Cc4ccccc4)C(C25)c6c(OC5=O)ccc(Br)c6,0.0
34461,CO-ADD:0328774,5.27,c1(N2)c(c(c(C)s1)C)C(NC2(c3ccccc3)C(OCC)=O)=O,0.0
34462,CO-ADD:0327142,5.27,N(CC(=O)c1ccc(cc1F)OC)(c2cccc(C)c2C)C3=NCCS3.Br,0.0
34463,CO-ADD:0328323,5.27,N(c1cccc(C)c1)(C(=O)C(C23)C(c4cc(Br)ccc4O)NC2(CC(C)C)C(O)=O)C3=O,0.0
34464,CO-ADD:0326394,5.27,n1(c(C)c(nn1)C(OCC)=O)c2nc(OC)nc(OC)n2,0.0
34465,CO-ADD:0329789,5.27,C12=C(CC(C(C(OC)=O)C1=O)C)Nc(c3NC2c4cccs4)cccc3,0.0
34466,CO-ADD:0260034,5.27,S(=O)(=O)(N(CC)CC)c(cc1)ccc1C2=CSC(=NCC3)N23.Br,0.0
34467,CO-ADD:0259986,5.27,c1(SCC(=O)Nc(cc2)ccc2OCC)sc(c3n1)cccc3,0.0
34468,CO-ADD:0331234,5.27,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(NCCc(ccc(c2OCC)OCC)c2)=O)Cl)c1,0.0
34469,CO-ADD:0331634,5.26,S(=O)(=O)(c1ccc(cc1)OCCC)N(CC2)CCN2C34CC(CC5C3)CC(C5)C4,0.0
34470,CO-ADD:0331258,5.26,c1(N(CC2)CCO2)nc(OC)nc(OC\C(\N)=N\O)n1,0.0
34471,CO-ADD:0331523,5.26,c12c(nnc(SCC(=O)Nc(ccc(c34)OCCO3)c4)n1)c5c(cccc5)n2C,0.0
34472,CO-ADD:0258490,5.26,n1(c2c(n3)cccc2)c3S\C(=C\c4cccc(Cl)c4Cl)\C1=O,0.0
34473,CO-ADD:0258634,5.26,N1(Cc2ccccc2)C(=O)CSC1c(cc3)ccc3C(=O)N\N=C\c(ccc(c4Cl)Cl)c4,0.0
34474,CO-ADD:0259119,5.26,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c2ccc(c(OCC)c2)O)=O,0.0
34475,CO-ADD:0331095,5.26,n1(CCC2CCCCC2)c3c(nc1COc4cccc(cccc5)c45)cccc3,0.0
34476,CO-ADD:0331591,5.26,C1(C)(C(C)(C)OC2=O)N2CCc(c([nH]3)C)c(c3ccc4OC)c14,0.0
34477,CO-ADD:0331152,5.26,n1(CCC(C)C)c2c(nc1COc3cccc(cccc4)c34)cccc2,0.0
34478,CO-ADD:0331592,5.26,C1(c2c(COC)cc(nc2OCC)C)=Nc(cccc3)c3C(c4ccccc4)(c5ccccc5)N1,0.0
34479,CO-ADD:0330839,5.26,c1(OC)nc(Cl)cc(C)c1C(=O)NCc2ccccc2,0.0
34480,CO-ADD:0330871,5.26,n1(c(CCCCC)nn2)c2SCC(c3ccc(cc3)F)=N1,0.0
34481,CO-ADD:0258142,5.26,N1(c2ccc(c(Cl)c2)F)C(=O)c3c(NC1c4ccccc4Cl)cccc3,0.0
34482,CO-ADD:0257490,5.26,C1(C(=O)OC(C)C)=C(C)NC(NC1c2cccc(OC)c2OC)=O,0.0
34483,CO-ADD:0257778,5.26,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c4cccc(Br)c4)\C1=O,0.0
34484,CO-ADD:0257786,5.26,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4cccc(cccc5)c45)c3)\N2,0.0
34485,CO-ADD:0257435,5.26,c1(nnc(Cc(ccc(c2OC)OC)c2)s1)NC(=O)c(cc3)ccc3C(C)(C)C,0.0
34486,CO-ADD:0319528,5.26,c(CN(c1cccc(Cl)c1)C(=O)c2ccccc2Cl)(c(C)[nH]c3C(OCC)=O)c3C,0.0
34487,CO-ADD:0319064,5.26,c12c(n(c(N(CC3)CCO3)n1)CCC\N=C(/CCC4)\N4)C(N(C)C(=O)N2C)=O,0.0
34488,CO-ADD:0318739,5.26,C(F)(F)(F)c1cccc(c1)OCC(=O)Nc(cccn2)c2,0.0
34489,CO-ADD:0277417,5.26,N1\C(=N/N=C(\CCCC)/CCCC)\SC(CC(O)=O)C1=O,0.0
34490,CO-ADD:0318911,5.26,C(=CC(\C=C\c(cc1)ccc1OCc2ccccc2F)=NC3=O)(C(F)(F)F)N3,0.0
34491,CO-ADD:0318800,5.26,c1(ccoc1C)C(=O)Nc(cc2)ccc2Br,0.0
34492,CO-ADD:0318801,5.26,c1(ccoc1C)C(=O)Nc2c(Cl)ccc(Cl)c2,0.0
34493,CO-ADD:0278888,5.26,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c3c4c(cccc4)cc(cccc5)c35)\C1=O)=O,0.0
34494,CO-ADD:0321243,5.26,c12c(CCNC1c(cc3F)cc(c3F)F)cc(c(OCC)c2)OCC,0.0
34495,CO-ADD:0320748,5.26,C(/S\C(\C1=O)=C\c(c(cccc2)c2n3Cc4ccc(cc4Cl)F)c3)(=N\C(C)=O)\N1,0.0
34496,CO-ADD:0324272,5.26,N1(C(=O)\C(\SC1=N)=C/c(ccc2c3cc(Cl)cc(Cl)c3)o2)c4nonc4N,0.0
34497,CO-ADD:0320149,5.26,C12=C(CC(C)(C)CC1=O)Nc(c3C2c4ccccc4[N+](=O)[O-])ccc5c3cccn5,0.0
34498,CO-ADD:0319531,5.26,S(NCC)(=O)(=O)c(cccc1C(=O)Nc(cc2)ccc2Br)c1,0.0
34499,CO-ADD:0320486,5.26,c12n(cc(c3ccc(cc3)Br)n1CCO)c(c(c4ccccc4)n2)c5ccccc5,0.0
34500,CO-ADD:0318725,5.26,c12c(CCNC1c3ccc(c(OC)c3)OCC)cc(c(OCC)c2)OCC,0.0
34501,CO-ADD:0284877,5.26,C1(=O)NCCSC1CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
34502,CO-ADD:0277522,5.26,N1(CN2CCCC2)C(=S)OC(c3ccccc3Cl)=N1,0.0
34503,CO-ADD:0277538,5.26,N1(c(ccc(c2s3)nc3SCc4ccccc4F)c2)C(=O)c5c(cccc5)C1=O,0.0
34504,CO-ADD:0326709,5.26,S(=O)(=O)(CC(C12)CC(N1c3ccc(cc3)OC(F)(F)Cl)=O)C2,0.0
34505,CO-ADD:0326270,5.26,c(CN(c1ccc(cc1)F)C(=O)c2ccccc2Cl)(c(C)[nH]c3C(OCC)=O)c3C,0.0
34506,CO-ADD:0326694,5.26,c1(C#N)c(OC)nsc1NN,0.0
34507,CO-ADD:0326143,5.26,[nH]1c(ccc(c2)Br)c2c3c1CCCCC3,0.0
34508,CO-ADD:0326543,5.26,c1(N(CC2)CCN2C34CC5CC(CC(C5)C3)C4)nc(NCCC)nc(Nc(cc6)ccc6OC(F)(F)F)n1,0.0
34509,CO-ADD:0328782,5.25,N1(N=C(S2)C)C2=NC(=O)\C(=C\c3cc(OC)c(cc3OC)[H])\C1=N,0.0
34510,CO-ADD:0328790,5.25,c12c(nnc(SCc(ccc(c3n4)no4)c3)n1)c5c(cccc5)n2Cc6ccccc6,0.0
34511,CO-ADD:0328702,5.25,C1(=S)N(NC(=O)c2cccc(F)c2)C(C(=O)N1c3ccc(cc3)Cl)CC(NCC)=O,0.0
34512,CO-ADD:0329625,5.25,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)(=O)(=O)c3c(C)cc(c(C)c3)OC,0.0
34513,CO-ADD:0328619,5.25,C(C(=O)OCc(ccc(c1n2)no2)c1)(=CN(CC)c3c4ccc(C)n3)C4=O,0.0
34514,CO-ADD:0329501,5.25,S(c1ccccc1)(=O)(=O)N(CC2)CCN2C(=O)Cc3ccccc3,0.0
34515,CO-ADD:0329173,5.25,C(=O)(Nc(cc1)ccc1CC#N)c(cccn2)c2,0.0
34516,CO-ADD:0328246,5.25,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)cc(c(c2C)NS(=O)(=O)c3ccc(cc3)OC)C,0.0
34517,CO-ADD:0330034,5.25,C(=O)(c1cccs1)NC(c2ccc(cc2)Cl)CC(O)=O,0.0
34518,CO-ADD:0329142,5.25,C12=C(CC(c3ccc(cc3)C)CC1=O)Nc(c4NC2c5ccccc5C(F)(F)F)cccc4,0.0
34519,CO-ADD:0332295,5.25,N(NC(=O)c1ccc(cc1)Cl)(C(CC(N[H])=O)C(N2CC)=O)C2=S,0.0
34520,CO-ADD:0331791,5.25,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cc(OC)c(c4[N+](=O)[O-])O)c4,0.0
34521,CO-ADD:0331171,5.25,c1(C(O)c2ccccc2)[nH]c(c3n1)cccc3,0.0
34522,CO-ADD:0331555,5.25,c(CN(Cc1ccco1)C(=O)C(F)(F)F)(c(C)n(c2C(OCC)=O)[H])c2C,0.0
34523,CO-ADD:0331611,5.25,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)CC(OC)=O)c5ccc(cc5)F,0.0
34524,CO-ADD:0331243,5.25,C(/[N+](=O)[O-])(\C(\Cl)=C(/Cl)\Cl)=C(/N1)\c2c1ccc(OCC)c2[N+](=O)[O-],0.0
34525,CO-ADD:0330904,5.25,C(F)(F)(F)c1cccc(c1)CNC(c2ccccc2Cl)CC(OCC)=O,0.0
34526,CO-ADD:0332521,5.25,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)c4cccs4,0.0
34527,CO-ADD:0331937,5.25,C(=O)(C(c1ccccc1)c2ccccc2)N(CC3)CCN3c4ccc(c(Cl)c4)Cl,0.0
34528,CO-ADD:0331945,5.25,S(=O)(=O)(c1ccc(c(OC)c1)OC)NC(c2ccc(cc2)OC)CC(OCC)=O,0.0
34529,CO-ADD:0331766,5.25,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(=O)OCC6CCCO6,0.0
34530,CO-ADD:0331072,5.25,c1(COc2ccccc2OC)n(CC)c3c(cccc3)n1,0.0
34531,CO-ADD:0318737,5.25,c1(ccccc1OCC(O)CN(CC2)CCN2CC(O)COc3ccccc3C(OCCCC)=O)C(OCCCC)=O,0.0
34532,CO-ADD:0320451,5.25,c1(nn(c2n1)c(C)cc(C)n2)S(=O)(=O)N3CCC(CC3)C(OCC)=O,0.0
34533,CO-ADD:0318786,5.25,c1(NC(=O)C(C)Oc2ccccc2Br)sc(c3c1C(N)=O)CCCC3,0.0
34534,CO-ADD:0324202,5.25,C(C(OC)=O)(C1c2ccc(cc2)O)=CN(C=C1C(OC)=O)C3CC3,0.0
34535,CO-ADD:0320985,5.25,N1(c2ccccc2OC)C(=O)c3c(NC1c4sccc4C)cccc3,0.0
34536,CO-ADD:0320978,5.25,[nH](c(ccc(c1)OC)c1c2CCNC(=O)c3cccs3)c2C,0.0
34537,CO-ADD:0320972,5.25,c1(C(NCCc2ccccc2)=O)c3c(cs1)CCCC3,0.0
34538,CO-ADD:0320791,5.25,N1(c(cccc2C(F)(F)F)c2)C(=O)NC(\C(=C\c(cc3)ccc3Br)\C1=O)=O,0.0
34539,CO-ADD:0320463,5.25,n1(CC(=O)NC2(CCCCC2)C(=O)Nc(cc3)ccc3C)nnnc1N,0.0
34540,CO-ADD:0320479,5.25,N(C(CSCC(=O)Nc1ccccc1)=O)c2ccccc2OC(C)C,0.0
34541,CO-ADD:0319099,5.25,C(=O)(NC(C)c1ccc(cc1)CC)c(cc2OCC)cc(c2OCC)OCC,0.0
34542,CO-ADD:0319469,5.25,n1(C)c(c(cc2)ccc2C(C)(C)C)nnc1SC(C)C(=O)Nc3c(C)cc(cc3C)C,0.0
34543,CO-ADD:0319501,5.25,n1(c2ccccc2)c(SCC(=O)c3ccc(c4c3)CCCC4)nnc1c5ccccc5,0.0
34544,CO-ADD:0329962,5.25,[N+](=O)([O-])c1ccc(cc1)OCC(=O)Nc(cc2)ccc2CC#N,0.0
34545,CO-ADD:0326720,5.25,c1(NC(CSc2nnc(C)n2N)=O)sc(c3c1C(OCC)=O)CCC3,0.0
34546,CO-ADD:0326575,5.25,C([N+](=O)[O-])(=C(\C=C\c1cccs1)N(C)C(N2C)=O)C2=O,0.0
34547,CO-ADD:0326031,5.25,S(=O)(=O)(N(C)CC(O)=O)c1ccc(c(cccc2)c12)OC,0.0
34548,CO-ADD:0326415,5.25,C(=O)(Nc1ccccn1)C(=O)N(CC2)CCO2,0.0
34549,CO-ADD:0328251,5.25,c(c1c2ccccc2)(C3=O)c(cn1Cc4ccccc4)N(C(=O)N3C)C,0.0
34550,CO-ADD:0327932,5.24,c1(C2=O)c(NC(c3ccccc3[N+](=O)[O-])N2Cc4ccccc4)c(c5s1)c(COC)cc(C)n5,0.0
34551,CO-ADD:0327829,5.24,c1(\C(\CCC2)=N/CCO)c2c3c(ccc(Cl)c3)[nH]1,0.0
34552,CO-ADD:0326093,5.24,N1(CCCCCC(=O)NC(c2ccccc2Cl)CC(OCC)=O)C(=O)c(c3C1=O)cccc3,0.0
34553,CO-ADD:0328343,5.24,c1(NC(=O)c(cc2)ccc2C(=O)c3cc(OC)ccc3OC)sc(c(C)c1C(OCC)=O)c4ccccc4,0.0
34554,CO-ADD:0327123,5.24,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(=O)(=O)Nc4sccn4)n1)c(c5n2C(C)C)cccc5,0.0
34555,CO-ADD:0326059,5.24,c1(nonc1N)\C(\N)=N\OCc2ccc(cc2OC)C,0.0
34556,CO-ADD:0329942,5.24,C1(CC(OC12CCCCC2)=O)C(=O)Nc3cccc(C)c3,0.0
34557,CO-ADD:0326879,5.24,N1(c2ccccc2Cl)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccc(cc4C)Cl,0.0
34558,CO-ADD:0326235,5.24,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3Cl)\NC(=O)c4ccc(cc4)OCCCC)c1C,0.0
34559,CO-ADD:0332599,5.24,C(=O)(NC(=S)Nc(cc1)ccc1C(=O)OC(C)C)c2cc(Cl)ccc2OC,0.0
34560,CO-ADD:0331816,5.24,C12(CC(CC3C1)CC(C3)C2)C(=O)NC(C(C)C)C(=O)OCC(=O)c4ccc(cc4)CC,0.0
34561,CO-ADD:0259285,5.24,N1(C(C(C)C)C(=O)OCC(=O)c2ccc(cc2)Cl)C(=O)C3C(C(CC34)CC4)C1=O,0.0
34562,CO-ADD:0259493,5.24,C1(C(=O)Nc2cc(C)ccc2C)C3C1C4CC3CC4,0.0
34563,CO-ADD:0330765,5.24,C12=C(CC(C(C(OC)=O)C1=O)C)Nc(c3NC2c4ccc(c(OC)c4)O)cccc3,0.0
34564,CO-ADD:0332110,5.24,C1(=Cc(cc(Cl)cc2Cl)c2OC1=O)C(=O)N(CC3)CCN3C(OCC)=O,0.0
34565,CO-ADD:0332112,5.24,C1(=Cc(cccc2OC)c2OC1=O)C(=O)N(CC3)CCN3c4ccc(c(C)c4)C,0.0
34566,CO-ADD:0332120,5.24,C1(=Cc(cc(Br)cc2OC)c2OC1=O)C(=O)N(CC)C3CCCCC3,0.0
34567,CO-ADD:0331468,5.24,c1(nc(c2ccccc2OC)cc3C(F)F)n3ncc1C(=O)OCC4CCCN5C4CCCC5,0.0
34568,CO-ADD:0330906,5.24,C(F)(F)(F)c1ccccc1CNCC2NCCc(cccc3)c23,0.0
34569,CO-ADD:0332387,5.24,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2OC)OC(N(CC3)CCO3)=N1,0.0
34570,CO-ADD:0319177,5.24,n1(N)c(CSc2ccccn2)nnc1CSc3ccccn3,0.0
34571,CO-ADD:0278841,5.24,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)OC(c4ccccc4)=O)\N2CCc(cc5)ccc5S(N)(=O)=O.Br,0.0
34572,CO-ADD:0320569,5.24,C(C(N)c1ccccc1)C(O)=O,0.0
34573,CO-ADD:0277474,5.24,N1(c(cc2)cc(c2[N+](=O)[O-])C)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(cc4)ccc4C(O)=O,0.0
34574,CO-ADD:0283190,5.24,n1(c2ccc(cc2)Br)c(c3ccccc3)c(cc1c4ccccc4)\C=N\NC(=O)c5cc(Br)cc(Br)c5O,0.0
34575,CO-ADD:0279151,5.24,C(=N/c1ccccc1)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4ccccc4F)c3)\N2,0.0
34576,CO-ADD:0323794,5.24,c1(s2)c(C(NC=N1)=O)c(c2C(=O)N3CCCCC3)C,0.0
34577,CO-ADD:0283392,5.24,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c(cccn4)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
34578,CO-ADD:0278935,5.24,N12C(S\C(=C\c(cc(n3c(cc4)ccc4C(OCC)=O)C)c3C)\C1=O)=NC(C)=C(C(OCC)=O)C2c5ccc(c(cccc6)c56)OC,0.0
34579,CO-ADD:0324211,5.24,[N+](=O)([O-])c(cccc1C2CC(=O)Nc(cc(C)c(C)c3)c23)c1,0.0
34580,CO-ADD:0323075,5.24,C12CN(Cc(cc(OCC)c(OCC)c3)c13)Cc(cc(OCC)c(OCC)c4)c24.Cl,0.0
34581,CO-ADD:0319525,5.24,N1(O)C(C)(C)CC(NC(=O)c2ccco2)C1(C)C,0.0
34582,CO-ADD:0319077,5.24,C12(CC(CC(C3)C1)CC3C2)C(=O)Nc(cc4)ccc4NC(=O)c(cc5OC)cc(c5OC)OC,0.0
34583,CO-ADD:0319597,5.24,C1(C2c3ccc(cc3)SC)=C(CCCC1=O)Nc(ccc(cccc4)c45)c25,0.0
34584,CO-ADD:0319126,5.24,c1(NC(NC)=S)sc(c2c1C(OC)=O)CCC2,0.0
34585,CO-ADD:0319167,5.24,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/Nc3cccc(cccc4)c34,0.0
34586,CO-ADD:0326736,5.24,c1(SCC(NCCC(C2)(CC(CC23)CC4C3)C4)=O)[nH]c(c(c5)n1)ccc5[N+](=O)[O-],0.0
34587,CO-ADD:0326793,5.24,n12c(SCC(c3ccc(cc3)OC([H])(F)F)=N1)nnc2COc(cc4)ccc4C(C)(C)C,0.0
34588,CO-ADD:0326817,5.24,n1(c2ccccc2)c(CNc(cc3)ccc3Cl)nnc1SCC(=O)Nc(cc4)ccc4C(OC)=O,0.0
34589,CO-ADD:0326825,5.24,c1(c2SCC)c(ccc2C(=O)Nc3ccccc3Cl)C(=O)c(c4C1=O)cccc4,0.0
34590,CO-ADD:0326833,5.23,c1(c2c(cccc2Cl)F)nnc(ccc(Cl)n3)n13,0.0
34591,CO-ADD:0330028,5.23,C1(C(F)(F)F)(NC(=O)c2ccco2)C(=O)N(C(=O)N1)CCc3ccccc3,0.0
34592,CO-ADD:0326229,5.23,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3OC(C)C)\NC(c4ccccc4)=O)c1C,0.0
34593,CO-ADD:0328417,5.23,C(/C(OCC)=O)(\C(OCC)=O)=C/Nc(c(C)cc1c2c(C)c([nH]1)C)c2,0.0
34594,CO-ADD:0328137,5.23,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2)c1)N3CCC(C(CCCC4)C34)=O,0.0
34595,CO-ADD:0328159,5.23,S(=O)(=O)(N(CC1)CCC1C(=O)Nc(cc2)ccc2[N+](=O)[O-])c3ccc(c4c3cccn4)OC,0.0
34596,CO-ADD:0329284,5.23,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)OC)=C(O)C(N2Cc(cccn4)c4)=O,0.0
34597,CO-ADD:0328005,5.23,C(F)(F)(F)c1ccccc1NC(Cc(ccc(c2OCC)OCC)c2)=O,0.0
34598,CO-ADD:0329221,5.23,N1(C(=O)Cn(nnc2c3ccccc3Cl)n2)c4c(C(CN(C)CC5)C15)cc(C)cc4,0.0
34599,CO-ADD:0326251,5.23,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)NCCCCO,0.0
34600,CO-ADD:0328462,5.23,n1(c2ccccc2)cnnc1SCc3ccccc3Cl,0.0
34601,CO-ADD:0327723,5.23,c12c(c(cc(Oc3c(ccc(C)c3)N4)c14)NCCCO)C(c5c(cccc5)C2=O)=O,0.0
34602,CO-ADD:0328913,5.23,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3Oc4c(Cl)cc(cn4)Cl)n2)Cc5cccc(Cl)c5,0.0
34603,CO-ADD:0326301,5.23,n(nnc1C(NN)=O)(c1COC)c2nonc2N,0.0
34604,CO-ADD:0332299,5.23,C1(=S)N(NC(c2ccccc2)=O)C(C(=O)N1c3ccc(cc3)F)CC(=O)Nc4cccc(OCC)c4,0.0
34605,CO-ADD:0331906,5.23,S(=O)(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)Cl)c3ccc(c(cccc4)c34)OCC,0.0
34606,CO-ADD:0332451,5.23,[n+]1([O])cnc2c(c(c(c3)cc4)c(cc2)cc3)c14,0.0
34607,CO-ADD:0332507,5.23,c(c1c(s2)CCC1)(C3=O)c2N=C(SCC(C)=O)N3c4ccccc4,0.0
34608,CO-ADD:0332523,5.23,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)N(CC3)CCN3C(=O)c4cccs4,0.0
34609,CO-ADD:0332590,5.23,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4ccc(cc4)OC)[N+](=O)[O-],0.0
34610,CO-ADD:0332622,5.23,C1(C(OCCSCC)=O)=C(C)NC(=O)NC1c(cc2)ccc2C(C)C,0.0
34611,CO-ADD:0331579,5.23,C(C(=O)N1CCCCCC1)(C2=O)=C(c3c(cccc3)CC4(CC)CC)N4C2=O,0.0
34612,CO-ADD:0331535,5.23,[N+](=O)([O-])c1cc(OC)cc(N)c1,0.0
34613,CO-ADD:0331215,5.23,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCC2(C(N)=O)N3CCCCC3,0.0
34614,CO-ADD:0331872,5.23,c12c(CCCC1N(CCN(CC)CC)C(=O)c(cc3)ccc3[N+](=O)[O-])c4c(ccc(C)c4)[nH]2.Cl,0.0
34615,CO-ADD:0257693,5.23,N1(c2ccccc2OC(CCCCCCC)=O)C(=O)C(C(C(c3c4cccc3)c(c56)cccc5)C1=O)C46,0.0
34616,CO-ADD:0319545,5.23,N(=C1)c2c(ccc(cccc3)c23)Oc(cc(Oc(cc4)ccc4C)cc5Oc(cc6)ccc6C)c15,0.0
34617,CO-ADD:0257733,5.23,N1(c2c(OC)ccc(OC)c2)C(=O)C3C(C(\C(=C(\C)/C)\C34)C=C4)C1=O,0.0
34618,CO-ADD:0323771,5.23,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cc(Br)ccc4F,0.0
34619,CO-ADD:0323779,5.23,c12c(ccc(cccc3)c13)OC(CC2c4ccc(cc4)Br)=O,0.0
34620,CO-ADD:0323811,5.23,N1(C(C)(C)CC(CC1(C)C)OC(C)=O)OC(=O)c2ccco2,0.0
34621,CO-ADD:0324315,5.23,c1(cc(Cl)cc(Cl)c1O)C2NCCc(cc(c(OCC)c3)OCC)c23,0.0
34622,CO-ADD:0323020,5.23,n1c(N)scc1c(cccc2C(F)(F)F)c2,0.0
34623,CO-ADD:0323780,5.23,C(=N\c(cc1)ccc1C(OCC)=O)(/SC(C(=O)Nc2ccccc2)CC3=O)\N3CCc(c(cccc4)c4n5C)c5C,0.0
34624,CO-ADD:0328101,5.23,S(=O)(=O)(c(cc1)ccc1C(C)C)N(CC2)CCN2c3ccc(c(C)c3)C,0.0
34625,CO-ADD:0328974,5.23,S1(CCC(C1)OC(=O)NC(=O)c2ccc(cc2)F)(=O)=O,0.0
34626,CO-ADD:0328846,5.23,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)c4ccco4,0.0
34627,CO-ADD:0327160,5.23,C1(C(OC)=O)(C(OC)=O)C(C1(C#N)C#N)c2ccc(cc2)Cl,0.0
34628,CO-ADD:0327488,5.23,c1(N(C)C2=O)c(n(c(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n1)C)C(N2Cc4ccc(cc4Cl)Cl)=O,0.0
34629,CO-ADD:0328921,5.23,n(c1C)c(C)c(cc1NC(=O)NCc2ccccc2)NC(=O)NCc3ccccc3,0.0
34630,CO-ADD:0329451,5.23,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc3ccccc3OC,0.0
34631,CO-ADD:0329995,5.23,S1(CCC(C1)OC(=O)NC(=O)c2c(cccc2F)F)(=O)=O,0.0
34632,CO-ADD:0329859,5.23,C1(C(=O)NC(C)(CC)C#C)=Cc(c2)c(OC1=O)ccc2[N+](=O)[O-],0.0
34633,CO-ADD:0329420,5.23,[N+](=O)([O-])c1ccc(cc1C)C(=O)NC(c2ccc(cc2)OC)CC(OCC)=O,0.0
34634,CO-ADD:0326049,5.23,C(C)(=O)Nc(cc1)ccc1OCC(O)=O,0.0
34635,CO-ADD:0328696,5.23,N(c1cccc(OC)c1)(C2(CCCCC2)C(=O)Nc3c(C)cccc3C)C(=O)c4cc[nH]n4,0.0
34636,CO-ADD:0329610,5.23,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3ccc(c(C)c3C)C,0.0
34637,CO-ADD:0329802,5.23,n12c(CCCCC1)nnc2CNc3cccc(Cl)c3C,0.0
34638,CO-ADD:0329874,5.23,[N+](=O)([O-])c1c(NC)ccc(c1)C(=O)Nc2cc(ccc2N(C)C)C(F)(F)F,0.0
34639,CO-ADD:0328596,5.23,N1(C2(CCCCC2)C(=O)Nc(cc3)ccc3C)C(c4ccco4)CC1=O,0.0
34640,CO-ADD:0327436,5.22,C1(CCC(NC1c2ccccc2Cl)=O)[N+](=O)[O-],0.0
34641,CO-ADD:0327173,5.22,N(c1sccn1)(C2c3cccs3)C(=O)C(=C2C(=O)c4cccs4)O,0.0
34642,CO-ADD:0328929,5.22,c1(N(CC)CC)nc(N\N=C\c2c[nH]nc2c3ccc(cc3)F)nc(Nc4c(OC)ccc(Cl)c4)n1,0.0
34643,CO-ADD:0331907,5.22,S(=O)(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)Cl)c3c(OCC)ccc(OCC)c3,0.0
34644,CO-ADD:0331915,5.22,C1(C(=O)NCC(C2)(C3)CC(C4)CC2CC34)=Cc5c(OC1=O)cccc5,0.0
34645,CO-ADD:0331939,5.22,C(=O)(c1cccc(C)c1)N(CC2)CCN2Cc(ccc(c34)OCO3)c4,0.0
34646,CO-ADD:0331836,5.22,C1(=O)c2c(cccc2)N=CN1CCOc3ccccc3,0.0
34647,CO-ADD:0332612,5.22,C(C(C1)CC[N+]2(C1)CCCC)(C2)C(=O)c3cccs3.[I-],0.0
34648,CO-ADD:0331647,5.22,c1(c2ccc(cc2)N)nc[nH]c1Br,0.0
34649,CO-ADD:0331144,5.22,n(Cc1ccccc1)(c2c(n3)cccc2)c3CCCO,0.0
34650,CO-ADD:0331186,5.22,n1(CCC(C)C)c2c(nc1COc3cc(C)ccc3C(C)C)cccc2,0.0
34651,CO-ADD:0318676,5.22,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)F)c24,0.0
34652,CO-ADD:0318716,5.22,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)OC)n1c5cccc(OCCO6)c56,0.0
34653,CO-ADD:0319019,5.22,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)F)=C(O)C(N2Cc(cccn4)c4)=O,0.0
34654,CO-ADD:0319364,5.22,N1(\N=C(/C)\c2ccc(cc2)Cl)C(=O)CC(SC1=N)C(=O)Nc(cc3)ccc3OC,0.0
34655,CO-ADD:0324277,5.22,c12c(CCNC1c3ccc(cc3)OC(F)(F)F)cc(c(OCC)c2)OCC.Cl,0.0
34656,CO-ADD:0323081,5.22,C(=O)(Nc(ccc(c1Br)C)c1)C(C(F)(F)F)C(F)(F)F,0.0
34657,CO-ADD:0324194,5.22,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3cccc(F)c3,0.0
34658,CO-ADD:0323044,5.22,c1(ccc(c(OC)c1Cl)OC)C2NCCc(cc(c(OCC)c3)OCC)c23.Cl,0.0
34659,CO-ADD:0320312,5.22,[nH]1c(C)c(c2c1c(C)ccc2F)CCNC(=O)c3ccccc3C,0.0
34660,CO-ADD:0319442,5.22,c(OC)(c(OC)c1)c(OC)cc1C(NCCOc2ccccc2)=O,0.0
34661,CO-ADD:0319194,5.22,c1(NC(=O)c2c(cccc2OC)OC)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
34662,CO-ADD:0327179,5.22,n12c(c(c(c3ccccc3)c1C(=S)Nc(cc4)ccc4CC)CCCC5)n5c(CNc(cc6)ccc6Cl)n2,0.0
34663,CO-ADD:0327411,5.22,c1(NC(=O)CN(CC2)CCN2c3ccc(cc3)Cl)cc(on1)C,0.0
34664,CO-ADD:0325921,5.22,C1(Cl)(C(F)(F)F)Oc(ccc(c2)Cl)c2NC1=O,0.0
34665,CO-ADD:0327381,5.22,N1(c2ccc(c(C)c2)C)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccc(cc4C)Cl,0.0
34666,CO-ADD:0328704,5.22,c1(ccc(Br)o1)C(=O)Nc(cc2)ccc2CC#N,0.0
34667,CO-ADD:0326057,5.22,c12c(C(N(C)C(=O)N1C)=O)n(c(SCc(nc(N)nc3N(CC4)CCO4)n3)n2)Cc(cc5)ccc5C(C)(C)C,0.0
34668,CO-ADD:0326481,5.22,n1c(N)n[nH]c1CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc4ccccc4C,0.0
34669,CO-ADD:0326138,5.22,N(Cc1ccccc1)(C(=O)C(C23)C(c4cc(I)ccc4O)NC2(C)C(O)=O)C3=O,0.0
34670,CO-ADD:0326434,5.22,C1(SC(C)=O)=N\C(\C(=O)N1)=C/c(cc(ccc(c2)C)c2n3)c3O,0.0
34671,CO-ADD:0326139,5.22,N(Cc1ccccc1)(C(=O)C(C23)C(c4cc(I)ccc4O)NC2(CCSC)C(O)=O)C3=O,0.0
34672,CO-ADD:0327941,5.22,S(=O)(=O)(c1nc(C)c(c(C)c1C#N)Cl)N(c2ccc(c(Cl)c2)C)S(=O)(=O)c3nc(C)c(c(C)c3C#N)Cl,0.0
34673,CO-ADD:0327902,5.22,C1(C(=O)c(cc2)ccc2C(=O)C3C(C)=NN(CCCCC)C3=O)C(C)=NN(CCCCC)C1=O,0.0
34674,CO-ADD:0329839,5.22,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)F)n1c5ccccc5C,0.0
34675,CO-ADD:0326191,5.22,N12c(c3C(C)=CC1(C)C)c(C(=O)C2=O)c(cc3)C,0.0
34676,CO-ADD:0328090,5.22,C1(C2=O)C(C(NC1(C(O)=O)Cc(c3c([nH]4)cccc3)c4)c5cccc(OC)c5O)C(N2c6ccccc6)=O,0.0
34677,CO-ADD:0332261,5.22,c12c(CC(=O)OC1c3ccc(cc3)Br)cc(OCC)c(OCC)c2,0.0
34678,CO-ADD:0332197,5.22,c1(cc2c(cc1NC(CCl)=O)OCCO2)C(=O)c3ccccc3Cl,0.0
34679,CO-ADD:0332309,5.22,C(Nc(cc1)ccc1Oc2ccccc2)(OC(C)=CC3=O)=C3C(C)=O,0.0
34680,CO-ADD:0332429,5.22,n1(c2c(s3)cccc2)c3nnc1SCc(cccc4Oc5ccccc5)c4,0.0
34681,CO-ADD:0332486,5.22,C(=O)(Nc1ccccc1OC)c2ccccc2NC(CCl)=O,0.0
34682,CO-ADD:0332430,5.22,S(=O)(=O)(c1ccc(cc1)OC)N2Cc3c(CC2C(O)=O)cccc3,0.0
34683,CO-ADD:0331695,5.21,C1(C(NCCc(c2c([nH]3)ccc(C)c2)c3C)=O)=Cc4c(OC1=O)ccc(OC)c4,0.0
34684,CO-ADD:0331744,5.21,C(C(OC)=O)(C1c(cc2)ccc2[N+](=O)[O-])=CN(C=C1C(OC)=O)C3CC3,0.0
34685,CO-ADD:0257966,5.21,N1(C2c3cccs3)C(S\C(=C\c(ccc4c(cc5)ccc5C(O)=O)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
34686,CO-ADD:0257776,5.21,N1(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C(=C\c(ccc(c4OC)OCc5cccc(cccc6)c56)c4)\C1=O,0.0
34687,CO-ADD:0283998,5.21,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4ccccc4OC,0.0
34688,CO-ADD:0320162,5.21,C1(C2c(cccn3)c3)=C(CCCC1=O)Nc(ccc4c5ccc(n4)C)c25,0.0
34689,CO-ADD:0279148,5.21,c1(N2CCCCC2)nc(NNC(CCc3ccccc3)=O)cc(N4CCCCC4)n1,0.0
34690,CO-ADD:0279012,5.21,s1c(C)nnc1SCC(=O)Nc2sccn2,0.0
34691,CO-ADD:0283319,5.21,c1(ccccc1O)C(=O)NNC(CC(c2ccccc2)CC3=O)=C3,0.0
34692,CO-ADD:0284855,5.21,N1(c2cc(C)cc(C)c2)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
34693,CO-ADD:0328633,5.21,N1(C(=O)c2ccco2)C(=S)N=C(C=CC(Cl)=C3)N13,0.0
34694,CO-ADD:0328641,5.21,c1(C(OC)=O)sc(c2c1OC(C)=O)cc(cc2[N+](=O)[O-])[N+](=O)[O-],0.0
34695,CO-ADD:0328281,5.21,S(=O)(=O)(Nc(cc1)ccc1CC(O)=O)c2ccc(c(C)c2)OC,0.0
34696,CO-ADD:0328234,5.21,S(c1ccccc1)(=O)(=O)c2c(O)cc(c(c2)NS(=O)(=O)c3ccc(cc3)Cl)C,0.0
34697,CO-ADD:0329587,5.21,S(=O)(=O)(Nc(cc1)ccc1OCC(O)=O)c2ccc(c(cccc3)c23)OCC,0.0
34698,CO-ADD:0327256,5.21,c12c(c3c(cccc3)OC1=O)nc(c(ccc(c4Cl)Cl)c4)nc2NC(CC)=O,0.0
34699,CO-ADD:0327545,5.21,c(nn(c12)c(C)c(c(C)n1)C)(S(=O)(=O)N(CC=C)CC=C)n2,0.0
34700,CO-ADD:0328778,5.21,N1(CC(O)CS2)C2=NC(N)=CC1=O,0.0
34701,CO-ADD:0328374,5.21,C1(\C(\C)=N\c2ccccc2)=C(O)C=C(c3ccccc3)CC1c4ccccc4,0.0
34702,CO-ADD:0329575,5.21,S(=O)(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(OCC)=O)c2ccc(c(cccc3)c23)OCC,0.0
34703,CO-ADD:0328371,5.21,S(=O)(=O)(N(CC1)CCC1C(=O)Nc2ccccc2Cl)c3ccc(c4c3cccn4)OC,0.0
34704,CO-ADD:0329726,5.21,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc3nnc(CC(OCC)=O)s3,0.0
34705,CO-ADD:0328023,5.21,n12c(nc(cc1C(F)(F)F)c3ccc(c(OC)c3)OC)cc(C(NCCc(c4c([nH]5)ccc(OC)c4)c5C)=O)n2,0.0
34706,CO-ADD:0327855,5.21,C1(C#N)=C(C)\C(\C(=O)N=C1O)=C\c(ccc2c3ccc(cc3[N+](=O)[O-])OC)o2,0.0
34707,CO-ADD:0329238,5.21,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3OC)cc(c3OCc4ccccc4Cl)Cl,0.0
34708,CO-ADD:0329919,5.21,C(C)(C)(C(=O)OC(C12CCCC1)c(cccc3[N+](=O)[O-])c3)C2=O,0.0
34709,CO-ADD:0330936,5.21,c1(C#N)c(COC)cc(nc1SCC[N+](C)(C)CC(=O)Nc2ccccc2)C.[Cl-],0.0
34710,CO-ADD:0330929,5.21,c1(C#N)c(C)c(Cl)c(nc1SCC(=O)Nc(cccc2C(F)(F)F)c2)C,0.0
34711,CO-ADD:0331018,5.21,C1(C(F)(F)F)(NC(=O)c2ccco2)C(=O)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
34712,CO-ADD:0331034,5.21,C(C(F)(F)F)(NC(=O)C(F)(F)F)(c1c(N2c3c(S4)cccc3)c4ccc1)C2=O,0.0
34713,CO-ADD:0331999,5.21,C(/C(=O)NCc1ccccc1C(F)(F)F)(\NC(=O)c2ccc(c(C)c2)C)=C\c3ccco3,0.0
34714,CO-ADD:0330795,5.2,c1(N(c2ccccc2)c3ccccc3)nc(SCC(OC)=O)nc(SCC(OC)=O)n1,0.0
34715,CO-ADD:0331084,5.2,n1(Cc2ccccc2Cl)c3c(nc1COc4ccccc4)cccc3,0.0
34716,CO-ADD:0330740,5.2,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3ncc1C(=O)N(CC4)CCN4C56CC(CC7C5)CC(C7)C6,0.0
34717,CO-ADD:0332101,5.2,S(=O)(=O)(N1CCC(CC1)C(N)=O)c2c(OC)ccc(Cl)c2,0.0
34718,CO-ADD:0331760,5.2,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccccc5F,0.0
34719,CO-ADD:0331033,5.2,C1(=C(C)Nc(c2C1=O)ccc(F)c2)SC(F)(F)C([H])(F)F,0.0
34720,CO-ADD:0331081,5.2,n1(Cc2ccc(cc2Cl)Cl)c3c(nc1COc4cccc(cccc5)c45)cccc3,0.0
34721,CO-ADD:0331689,5.2,S(Cc1ccccc1)(=O)(=O)NC(c(cccc2[N+](=O)[O-])c2)CC(O)=O,0.0
34722,CO-ADD:0258474,5.2,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C\c(ccc3c4ccc(cc4Cl)Cl)o3,0.0
34723,CO-ADD:0321148,5.2,c1(c2ccc(cc2)NC(CCC)=O)ncc(cn1)c3ccc(cc3)NC(CCC)=O,0.0
34724,CO-ADD:0319707,5.2,N(c1c(cccc1)NC(CC(c2ccccc2)CC3=O)=C34)(C(c5ccccc5)=O)C4c6cccc(c6)OC(c7ccccc7)=O,0.0
34725,CO-ADD:0257238,5.2,N1(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C(=C\c(cc4)ccc4OCC(C)C)\C1=O,0.0
34726,CO-ADD:0318825,5.2,c1(scc(c2ccccc2)c1C(OCC)=O)NC(=O)c(cc3OC)cc(c3OC)OC,0.0
34727,CO-ADD:0318898,5.2,C(/C#N)(=C/c(ccc1c2ccc(cc2)Br)o1)\C(=O)OC(C)CC,0.0
34728,CO-ADD:0327637,5.2,N(CC1)(CCN1CCC(=O)Nc(ccc(c2Br)C)c2)C(OCC)=O.Cl,0.0
34729,CO-ADD:0327822,5.2,c1([C@H]([C@H](C[C@@H]23)[C@H](C)C2(C)C)C3)cc(C(C)=C(Br)C(=O)O4)c4c(Br)c1O,0.0
34730,CO-ADD:0327198,5.2,n1(CC(=O)N(c2cccc(Cl)c2)C3(CCCCC3)C(=O)Nc(cc4)ccc4OC)nnnc1N,0.0
34731,CO-ADD:0327478,5.2,n1(nc(n2)C(OC)=O)c2nc(C)c([N+](=O)[O-])c1O,0.0
34732,CO-ADD:0326316,5.2,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(Cl)c2)NC3=C1C(=O)NC(N3CCc(ccc(c4OCC)OCC)c4)=O,0.0
34733,CO-ADD:0327648,5.2,C1(C(OCC)=O)C(c2ccc(cc2)Br)CC(=CC1=O)c3ccco3,0.0
34734,CO-ADD:0327905,5.2,C(Cc(cc1)ccc1Br)(C(OC)=O)(C(OC)=O)CC(=O)c2ccc(cc2)Br,0.0
34735,CO-ADD:0327641,5.2,N1(C)C(=O)\C(\SC1=O)=C\c(ccc2c3ccc(cc3)OC(F)(F)F)o2,0.0
34736,CO-ADD:0327994,5.2,c12c(ccc(C(=O)Nc(cccc3[N+](=O)[O-])c3)c1[N+](=O)[O-])C(=O)c(c4C2=O)cccc4,0.0
34737,CO-ADD:0326615,5.2,C(=N/c(ccc(c1Cl)Cl)c1)(/SC(C(=O)Nc(cc2)ccc2OC(F)(F)Cl)CC3=O)\N3CCc(ccc(c4OC)OC)c4,0.0
34738,CO-ADD:0326647,5.2,n1(n2)c(nc(cc1C(F)(F)Cl)c3cccs3)cc2C(=O)N4CCc(cccc5)c45,0.0
34739,CO-ADD:0329935,5.2,c12c(C(c(cccc3[N+](=O)[O-])c3)SCC(=O)N1)c(nn2c4ccccc4)c5ccccc5,0.0
34740,CO-ADD:0329743,5.2,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
34741,CO-ADD:0156990,5.2,N#CC1=C(SCC(C2=CC=C(F)C=C2)=O)N=C(N)N=C1SC,0.0
34742,CO-ADD:0157287,5.2,O=C(NC(C=C1)=CC=C1Br)CCC(N/N=C/C2=CC(OC)=CC=C2)=O,0.0
34743,CO-ADD:0157319,5.2,O=C(C1=CC=CC=C1)N[C@@H](C(C)CC)C(N/N=C/C2=CC=CC(OC3=CC=CC=C3)=C2)=O,0.0
34744,CO-ADD:0157175,5.2,O=C(C1=CC=CC=C1C)NC2=CC=CC(C(N/N=C/C3=CC=C4OCOC4=C3)=O)=C2,0.0
34745,CO-ADD:0157466,5.2,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=CC=NC=C3)=NC(N(CC)CC)=N2)=O,0.0
34746,CO-ADD:0157514,5.2,O=C(CNC1=CC=C(OC)C=C1)N/N=C/C(C=CC=C2)=C2O,0.0
34747,CO-ADD:0157634,5.2,[O-][N+](C(C(C1=CC=CO1)NC2C3=CC=CO3)=NN2C4=CC(C)=CC=C4)=O,0.0
34748,CO-ADD:0157222,5.2,O=C(NCCCCCCCCCCCCCCCCCC)C1=C(C)ON=C1C2=CC=CC=C2,0.0
34750,CO-ADD:0243511,5.2,N1(C(SC(C(c2c(OC)c(OCO3)c3c(OC)c2)CC(=O)N4c(cc5)ccc5)=C14)=O)CC(=O)OC,0.0
34751,CO-ADD:0243551,5.2,c(OCO1)(c1c2OC)cc(CC(O)CC(c(ccc(OC)c3)c3)=O)c2,0.0
34752,CO-ADD:0243664,5.2,c(cc1OC)(OC(N)=C(C#N)C2c(c(OC)c(OCO3)c34)cc4OC)c2cc1,0.0
34753,CO-ADD:0243672,5.2,C1(SC(C)=NC2=C1C(NN2C3CCCCC3)=O)c(cc(c4c5OCO4)OC)c5,0.0
34754,CO-ADD:0243688,5.2,n(c1c(c2c3cc(OCO4)c4c(OC)c3)N(C(N1)=O)C)c(c25)n(nc5)C(C)C,0.0
34755,CO-ADD:0243328,5.2,c(c1C#N)c(OC)c(OC2)c(O2)c1,0.0
34756,CO-ADD:0243583,5.2,c(OCO1)(c1c2OC)c(OC)c(C(c3ccc([N+](=O)[O-])cc3)=NC4C)c2C4,0.0
34757,CO-ADD:0243765,5.2,C(CN1CCOCC1)N2C(=O)C(O)=C(C2c3c(OC)c(c(OCO4)c4c3)OC)C(=O)c5cc6c(OCCO6)cc5,0.0
34758,CO-ADD:0243773,5.2,n(cc1)cn1CCCN(C(=O)C(O)=C2C(=O)c3cc4c(OCCO4)cc3)C2c(c5)cc(OCO6)c6c5OC,0.0
34760,CO-ADD:0243241,5.19,c1(c2OC)c(OCO1)c(OC)cc2CC(CC(=N3)CCl)O3,0.0
34761,CO-ADD:0243657,5.19,c(OCO1)(c1c2OC)cc(C(=O)OC)c2,0.0
34762,CO-ADD:0243401,5.19,COc(c(c(c1O2)OC2)OC)c(C(c(c3N4)nn(c3)C)C(=C4C5)C(O5)=O)c1,0.0
34763,CO-ADD:0243096,5.19,c(\C=N/NC(c(c1)cccc1)=O)(c2OC)c(CC3CC(C(OCC)=O)=NO3)c(OC)c(OCO4)c24,0.0
34764,CO-ADD:0243104,5.19,c(\C=N/O)(c1OC)c(CC2CC(C(=O)OCC)=NO2)c(OC)c(OCO3)c13,0.0
34765,CO-ADD:0243141,5.19,N1(CC(CC(O2)Cc(cc3OC)cc(c34)OCO4)=N2)C(=O)c5c(cccc5)C1=O,0.0
34766,CO-ADD:0243308,5.19,s1c(Nc2ccccc2)nc3c1C(c4cc(OC)c(OCO5)c5c4)CC(N3)=O,0.0
34767,CO-ADD:0243516,5.19,C12=C(C(CC(=O)N1c3cc(Cl)ccc3)c(cc(c4c5OCO4)OC)c5)SC(=O)N2CC(OC)=O,0.0
34769,CO-ADD:0243111,5.19,c(OC)(c1OC)c(CC2CC(C(OCC)=O)=NO2)c(\C=N/NC(c([nH]3)cc4c3ccc(F)c4)=O)c(OCO5)c15,0.0
34770,CO-ADD:0243047,5.19,c(OC1)(c(OC)cc2\C=C\C(=O)NCCOC(=O)\C=C\c3c(OC)c(OC4)c(O4)c(OC)c3)c(O1)c2OC,0.0
34772,CO-ADD:0243326,5.19,COc(c1OC)c(O2)c(OC2)cc1C(NN=C3c(c4)c(O)cc(OC)c4)C3,0.0
34773,CO-ADD:0243766,5.19,n(ccc1CN(C(=O)C(O)=C2C(=O)c3cccc(OC)c3)C2c(cc(OC)c4c5OCO4)c5OC)cc1,0.0
34774,CO-ADD:0243449,5.19,c(C(C1)c2cc(OC)c3c(OCO3)c2)(c(NC1=O)c4C(O)=O)n(c5cc(Cl)ccc5)c4,0.0
34775,CO-ADD:0243370,5.19,c(F)(ccc1C(C2)=NOC2Cc3c(c(c(c4c3OC)OCO4)OC)\C=N\NC(=O)c5cc(cc(F)cc6)c6[nH]5)cc1,0.0
34776,CO-ADD:0243293,5.19,c(OC)(cc1CC(Br)C)c(OC2)c(O2)c1,0.0
34778,CO-ADD:0243774,5.19,N(CCO1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3cc4c(OCCO4)cc3)C2c(c5)cc(OCO6)c6c5OC,0.0
34779,CO-ADD:0243692,5.19,n(cc1)cn1CCCN(C(=O)C(O)=C2C(=O)c3cccc(OC)c3)C2c(c4)c(OC)c(OCO5)c5c4OC,0.0
34780,CO-ADD:0243763,5.19,N1(C(=O)C(O)=C(C1c(cc2c(c3OC)OCO2)c3OC)C(=O)c4cc5c(OCCO5)cc4)CCN6CCCC6,0.0
34781,CO-ADD:0243909,5.19,C(C(NC=C1C(OCC)=O)=O)(C(c2cc(OC)c(OCO3)c3c2OC)CC(NCCc4c5c([nH]c4)cccc5)=O)=C1O,0.0
34783,CO-ADD:0243566,5.19,CC(C)(C)n(nc1)c(N=C2C(C3c(c4OC)cc(OC)c(OCO5)c45)N(C(N2)=O)c6ccccc6)c13,0.0
34784,CO-ADD:0243064,5.19,c1(c(OC)c2c(OCO2)c(OC)c1Br)C(ON=C3C(N)=O)C3C,0.0
34785,CO-ADD:0243865,5.19,C1=C(C)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)Nc(cc4)cc(F)c4)=C1O,0.0
34786,CO-ADD:0243546,5.19,s1c(NC)nc2c1C(c3cc(OC)c(OCO4)c4c3)CC(N2)=O,0.0
34787,CO-ADD:0243667,5.19,c(cc1O)(OC(N)=C(C#N)C2c(cc(OCO3)c34)c(OC)c4OC)c2cc1,0.0
34788,CO-ADD:0243291,5.19,c1([N+](=O)[O-])c(OC)c2c(c(OC)c1C(OC)=O)OCO2,0.0
34789,CO-ADD:0243683,5.19,n(c1c(c2c3c(OC)c(OCO4)c4c(OC)c3)N(C(N1)=O)C)c(c2C5=O)N(C(C)C)N5,0.0
34791,CO-ADD:0243669,5.19,C1(SC(C)=NC(N(C2CCCCC2)NC3=O)=C13)c4cc(c5c(c4OC)OCO5)OC,0.0
34792,CO-ADD:0243695,5.19,n(c1c(c2c3c(OC)c(OCO4)c4c(OC)c3)SC(N1CC#N)=O)c(c2cn5)n5C(C)C,0.0
34793,CO-ADD:0243514,5.19,C12=C(C(CC(=O)N1c3ccc(F)cc3)c(cc(c(OCO4)c45)OC)c5OC)SC(=O)N2CC(OC)=O,0.0
34795,CO-ADD:0243211,5.19,c(\C=N\NC(c(c1)[nH]c2c1cc(F)cc2)=O)(c3OC)c(CCC)c(OC)c(OCO4)c34,0.0
34796,CO-ADD:0243435,5.19,c(OC1)(c(OC)cc2c(nc(CCC(=O)O)o3)n3)c(O1)c2OC,0.0
34797,CO-ADD:0243275,5.18,c(C(OC)=O)(cc(c(OCO1)c12)OC)c2OC,0.0
34798,CO-ADD:0243081,5.18,c(C1C(C#N)=C(N)OC(CC2(C)C)=C1C(=O)C2)(c3OC)c(CC4CC(C(OCC)=O)=NO4)c(OC)c(OCO5)c35,0.0
34800,CO-ADD:0243014,5.18,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCCc(ccc(OC)c4OC)c4)O3)OC,0.0
34801,CO-ADD:0243075,5.18,c(OC)(c1OC)c(CC2CC(C(=O)OCC)=NO2)c(C=O)c(OCO3)c13,0.0
34802,CO-ADD:0243868,5.18,c(cc1)(C(=O)C(C(c(cc2c3OCO2)cc3OC)CC(=O)OC)=C(O)C4=O)c4cc1,0.0
34803,CO-ADD:0244005,5.18,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)O\C(=N\CCCN(C)C)\NCC)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C2)[C@]23C)[C@]3(C)CC4)C4[C@H](C)[C@@H]1O,0.0
34804,CO-ADD:0243577,5.18,c(OCO1)(c1c2OC)c(C=O)c(O)c2OC,0.0
34805,CO-ADD:0243913,5.18,C(C(NC=C1C(OCC)=O)=O)(C(CC(NCCc(ccc2F)cc2)=O)c3c(OC)c4c(OCO4)c(OC)c3)=C1O,0.0
34806,CO-ADD:0243281,5.18,c12c(OCO1)c(cc(\C=C\C(O)=O)c2OC)OC,0.0
34807,CO-ADD:0243660,5.18,c(OCO1)(c1c2)c(OC)c(OC)c2C(=O)C[N+](=O)[O-],0.0
34808,CO-ADD:0243092,5.18,c(\C=N/NC(c([nH]1)cc2c1ccc(F)c2)=O)(c3OC)c(CC4CC(C(OCC)=O)=NO4)c(OC)c(OCO5)c35,0.0
34809,CO-ADD:0243076,5.18,c(\C=C(/C#N)\C#N)(c1OC)c(CCC)c(OC)c(OCO2)c12,0.0
34810,CO-ADD:0243255,5.18,c(c(CC1ON=C(c(cc2c3OCO2)cc3)C1)c4)c(OC)c(O5)c4OC5,0.0
34812,CO-ADD:0243313,5.18,C(C)N1C\C(=C/c(cc2OC)c(OC)c(OCO3)c23)\C(=O)\C(=C\c(c(OC)c4c5OCO4)cc5OC)\C1,0.0
34813,CO-ADD:0243729,5.18,c(cc1CN(C(=O)C(O)=C2C(=O)c3cc(OCO4)c4cc3)C2c5c(OC)c(OCO6)c6c(OC)c5)(OC7)c(cc1)O7,0.0
34814,CO-ADD:0243906,5.18,C(C(NC=C1C(OCC)=O)=O)(C(c2cc3c(OCO3)c(OC)c2)CC(NCCc(cc4)ccc4O)=O)=C1O,0.0
34815,CO-ADD:0243635,5.18,c(OC)(cc1C#Cc(cc2)ccc2OC)c(OCO3)c3c1,0.0
34816,CO-ADD:0243147,5.18,c(CC(C1)ON=C1C(NN)=O)(c2OC)c(Br)c(c3c2OCO3)OC,0.0
34817,CO-ADD:0243361,5.18,s(c(C(c1cc(OC)c(OCO2)c2c1OC)CC(N3)=O)c34)c(NCC)n4,0.0
34819,CO-ADD:0243282,5.18,c1(OC)c(OC)c(cc(OCO2)c12)\C=C\C(O)=O,0.0
34820,CO-ADD:0243682,5.18,n(c1c(c2c3cc(OCO4)c4c(OC)c3OC)SC(N1)=O)c(c2C5=O)N(C(C)C)N5,0.0
34821,CO-ADD:0231381,5.18,c1(oc(c2n1)ccc(c2)\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])c5ccc(cc5Cl)Cl,0.0
34822,CO-ADD:0234725,5.18,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(cc(Br)cc4Cl)c4O,0.0
34823,CO-ADD:0231486,5.18,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3[N+](=O)[O-])c4ccc(cc4Cl)F,0.0
34824,CO-ADD:0234301,5.18,c1(c(O)c(\C=N\c(cc2)ccc2c3sc(c4n3)cccc4)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
34825,CO-ADD:0231526,5.18,N(\C(=C/c1cccc(I)c1)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
34826,CO-ADD:0233050,5.18,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)OCc(cc3)ccc3[N+](=O)[O-],0.0
34827,CO-ADD:0234600,5.18,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(COc3c(C)cccc3C)=O,0.0
34828,CO-ADD:0236672,5.18,c1(N(CC2)CCO2)nc(Cl)nc(Nc3ccc(cn3)Cl)n1,0.0
34829,CO-ADD:0231067,5.18,C(=O)(Nc(cc1)ccc1OCC)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
34830,CO-ADD:0236565,5.18,C1(=C(C=C(C)OC1=O)OC(=C2C#N)N)C2c3cccc(Cl)c3Cl.[Na+],0.0
34831,CO-ADD:0227535,5.18,c1(cc(Cl)cc(\C=N\c(ccc(c23)oc(c4cccc(I)c4)n2)c3)c1O)[N+](=O)[O-],0.0
34832,CO-ADD:0228013,5.18,n1c2c(oc1c3ccc(cc3)Cl)ccc(c2)\N=C\c4cc(I)ccc4O,0.0
34833,CO-ADD:0234903,5.18,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(cc4)ccc4OC(=O)c5ccc(cc5)Br,0.0
34834,CO-ADD:0231550,5.18,C1(COc(c2O1)cccc2)C(=O)N\N=C\c3cc(Br)ccc3OC(=O)c4ccc(cc4)Br,0.0
34835,CO-ADD:0236637,5.18,c1(C#N)c(SCc(cc2)ccc2C(C)(C)C)nsc1SCc(cc3)ccc3C(C)(C)C,0.0
34836,CO-ADD:0236933,5.18,O=C(C1=CC(OC)=C(OC)C=C1CC/2)C2=CC3=COC=C3,0.0
34837,CO-ADD:0237369,5.18,CCOc1ccc(cc1)c2nc(CNCCc3ccc(F)cc3)cs2,0.0
34838,CO-ADD:0231128,5.18,C(=O)(Nc(cc1)ccc1C)C\C(\C)=N/NC(COc2ccc(cc2Br)C)=O,0.0
34839,CO-ADD:0231107,5.18,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)Nc3ccccc3Cl,0.0
34840,CO-ADD:0231447,5.18,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(=O)c(ccc(c34)OCCO3)c4,0.0
34841,CO-ADD:0231162,5.18,c1(ccccc1Cl)C(=O)N\N=C\c2ccc(cc2OC)O,0.0
34842,CO-ADD:0231461,5.18,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(=O)c(ccc(c34)OCCO3)c4,0.0
34843,CO-ADD:0229692,5.17,N(=C(/C)\C(CCC(=C1)C)C1)/NC(CNc2ccc(cc2Br)Cl)=O,0.0
34844,CO-ADD:0234070,5.17,C(OCCCCCCC)(=O)NC(CC1)CCC1CC(CC2)CCC2NC(OCCCCCCC)=O,0.0
34845,CO-ADD:0236944,5.17,O=C(C1=CC(OC)=CC=C1CC/2)C2=CC3=CC=NC=C3,0.0
34846,CO-ADD:0237370,5.17,C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)O,0.0
34847,CO-ADD:0237374,5.17,COc1cc(nc2ccc(C)c(N)c12)C(F)(F)F,0.0
34848,CO-ADD:0237209,5.17,Cn1ccnc1CNCCS(=O)(=O)c2cccc(Nc3ccc(cn3)c4cccc(F)c4)c2.Cl,0.0
34849,CO-ADD:0237315,5.17,CS(=O)(=O)N1CCC(Cn2nc(Cc3cccc4ccccc34)c5c(N)ncnc25)CC1,0.0
34850,CO-ADD:0237229,5.17,COc1cccc(n1)c2nc3c(cccc3n2CC4CCCN4)N5CCCC5,0.0
34851,CO-ADD:0237089,5.17,COc1cccc(c1)n2nnnc2S(=O)(=O)Cc3ccccc3,0.0
34852,CO-ADD:0237233,5.17,C[C@@H](N(C)c1ncc2c(N)nc(N)nc2n1)c3ccc4CCCCc4c3,0.0
34853,CO-ADD:0237326,5.17,CCOc1ccccc1C(=O)Nc2cccc(c2)c3nc4ncccn4c3C,0.0
34854,CO-ADD:0237110,5.17,CS(=O)(=O)c1ccccc1C(=O)N(Cc2ccccc2)c3ccccc3,0.0
34855,CO-ADD:0237271,5.17,CC(C)c1ccc(NC(=O)COC2=CC(=C(C#N)C(=O)N2C)C)cc1,0.0
34856,CO-ADD:0237191,5.17,Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3cc([nH]n3)c4ccccc4,0.0
34857,CO-ADD:0237040,5.17,COc1nc2ccc(Br)cc2cc1[C@@H](c3ccccc3)[C@@](O)(CCN(C)C)c4cccc5ccccc45.OC(C(F)(F)F)=O,0.0
34858,CO-ADD:0242991,5.17,c1(C#N)c2c(sc1\N=C\c(cc3OC)cc(c34)OCO4)CCCC2,0.0
34859,CO-ADD:0237297,5.17,CC(N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C(C)(C)C)C(=O)N3CCCC3,0.0
34860,CO-ADD:0237378,5.17,COc1cccc(OC)c1C(=O)Nc2ccc(Cl)c(c2)c3nc4ccccc4s3,0.0
34861,CO-ADD:0237300,5.17,CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3ccc4c(Nc5ccc6nn[nH]c6c5)ccnc4c3,0.0
34862,CO-ADD:0237381,5.17,FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)[C@@H](c3ccc(Cl)cc3)c4cccnc4,0.0
34863,CO-ADD:0237051,5.17,CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C)cc3)cc2)c1Cl,0.0
34864,CO-ADD:0237076,5.17,Fc1cccc(OCC(=O)Nc2nc(cs2)c3ccccn3)c1,0.0
34865,CO-ADD:0243008,5.17,c1(c2OC)c(OCO1)c(OC)cc2CC(CC(=N3)CNCc(cccc4C(F)(F)F)c4)O3.Cl,0.0
34866,CO-ADD:0237386,5.17,CCC(Sc1oc2ccccc2n1)C(=O)Nc3nnc(C)s3,0.0
34867,CO-ADD:0237306,5.17,OC(=O)c1cccc2oc(nc12)c3cccc(O)c3NC(=O)c4cc(on4)c5ccccc5,0.0
34868,CO-ADD:0237222,5.17,CCCCc1ccc(nc1)C(=O)Nc2nccc3ccccc23,0.0
34869,CO-ADD:0237244,5.17,O=C(N1CC(C2=CC(NC)=CC(C)=N2)OCC1)C3=NNC4=C3C=CC=C4,0.0
34870,CO-ADD:0237245,5.17,CC(C)CNc1cc(nc2c([nH]nc12)-c1ccccc1)C,0.0
34871,CO-ADD:0237114,5.17,COC(=O)c1c2CCCCCc2sc1NC(=O)c3c(F)c(F)c(F)c(F)c3F,0.0
34872,CO-ADD:0236823,5.17,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
34873,CO-ADD:0231074,5.17,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)N\N=C\c(cc3)ccc3O,0.0
34874,CO-ADD:0243021,5.17,c(OC)(c(OC)c1CC2ON=C(C(NN)=O)C2)c(OC3)c(O3)c1,0.0
34875,CO-ADD:0243173,5.17,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCc(ccc(OCO4)c45)c5)O3)OC.Cl,0.0
34877,CO-ADD:0243606,5.17,c1c(C)nc2c(c(N3)c(C(=O)NC3c(cc4OC)c(OC)c5c4OCO5)s2)c1C,0.0
34878,CO-ADD:0243902,5.17,C(C(=O)N1)(C(c(c(c2c3OCO2)OC)cc3OC)CC(NCc4cc(OCC)c(OC)cc4)=O)=C(O)C(C(OCC)=O)=C1,0.0
34879,CO-ADD:0237282,5.17,CNC(=O)C1Cc2c([nH]c3cc(Cl)ccc23)C4(CCN(CCc5ccccc5)CC4)N1,0.0
34880,CO-ADD:0232906,5.17,S(c1ccccc1)(=O)(=O)N(CC(NCCOC)=O)c2ccc(cc2Cl)Cl,0.0
34881,CO-ADD:0230931,5.17,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(OC)c2)c3ccc(cc3OC)OC,0.0
34882,CO-ADD:0237198,5.17,Fc1ccc(cc1)C(=O)N(CCNc2ccccc2)c3ccccc3,0.0
34883,CO-ADD:0237118,5.17,OB1OCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc12,0.0
34884,CO-ADD:0237119,5.17,NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(O)=O.OCCS(=O)(O)=O,0.0
34885,CO-ADD:0230925,5.17,[n+]1(c(cc2)ccc2[N+](=O)[O-])noc([O-])n1,0.0
34886,CO-ADD:0233303,5.17,S1(CCC(C1)NC(=O)Nc2ccccn2)(=O)=O,0.0
34887,CO-ADD:0233296,5.17,N1(CCCCCC(=O)NCC(C)C)C(=O)c2c(cccc2)C1=O,0.0
34888,CO-ADD:0233275,5.17,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])C)c1)Nc2ccccn2,0.0
34889,CO-ADD:0230985,5.17,N1(C(=O)CCC1=O)c2cccc(c2)C(=O)OCC(COC(=O)c(cccc3N4C(=O)CCC4=O)c3)=O,0.0
34890,CO-ADD:0233304,5.17,[N+](=O)([O-])c1c(N)ncnc1NCc2ccccc2,0.0
34891,CO-ADD:0243166,5.17,C1(C(=O)N\N=C\c2cccc(F)c2)=NOC(c(cc3OC)cc(c34)OCO4)C1C,0.0
34892,CO-ADD:0243597,5.16,c(O)(c1OC)cc(NC(c(cc2c3OCO2)cc3OC)=O)cc1,0.0
34893,CO-ADD:0243605,5.16,c1c(C)nc2c(c(N3)c(C(=O)NC3c(c(OC)c4OC)cc5c4OCO5)s2)c1COC,0.0
34894,CO-ADD:0237175,5.16,Cc1oc(NC(=O)c2cn(nc2c3ccccc3C)c4ccccc4)nn1,0.0
34895,CO-ADD:0237419,5.16,C1CCC(CC1)Nc2cc(nc(n2)c3ccccn3)C4CC4,0.0
34896,CO-ADD:0237341,5.16,Clc1cccc(c1)C(c2ccc(CN3CCNCC3)cc2)n4ccnc4,0.0
34897,CO-ADD:0230905,5.16,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C\c2cccs2,0.0
34898,CO-ADD:0231446,5.16,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c4ccccc4I,0.0
34899,CO-ADD:0227872,5.16,c(sc(c1c2ccccc2)c(cc3)ccc3[N+](=O)[O-])(NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
34900,CO-ADD:0231434,5.16,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(=O)c(ccc(c34)OCCO3)c4,0.0
34901,CO-ADD:0231479,5.16,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(=O)c(ccc(c34)OCCO3)c4,0.0
34902,CO-ADD:0231477,5.16,C(OCC)(=O)c1ccc(cc1)\N=C\c(ccc(c2Cl)Cl)c2,0.0
34903,CO-ADD:0231084,5.16,C(=O)(C\C(\C)=N\NC(COc1ccccc1C)=O)Nc2ccccc2C,0.0
34904,CO-ADD:0231609,5.16,c1(oc(c2n1)cccc2)c3cc(ccc3O)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
34905,CO-ADD:0232933,5.16,C(CN(CN1C2)CN23)(C3)(C1)\C(\c4ccc(cc4)C)=N/NC(c(cc5)ccn5)=O,0.0
34906,CO-ADD:0243114,5.16,c1(c2OC)c(OCO1)c(c(\C=N\NC(c3ccccc3)=O)c2CC(CC(=N4)c5ccc(F)cc5)O4)OC,0.0
34907,CO-ADD:0243721,5.16,c12c(cc(C3C([N+]([O-])=O)C(=O)NC(N(C(C)C)NC4=O)=C34)cc1OC)OCO2,0.0
34908,CO-ADD:0243761,5.16,c(c1cc(OCO2)c2c(OC)c1)(c(N)[nH]n3)c3c4ccc(OC)cc4,0.0
34910,CO-ADD:0243727,5.16,N1(CCCC1)CCN2C(=O)C(O)=C(C2c(cc3c4OCO3)c(OC)c4OC)C(=O)c5cc(OCO6)c6cc5,0.0
34912,CO-ADD:0237179,5.16,CC[C@H](CO)NCCN[C@H](CC)CO.Cl.Cl,0.0
34913,CO-ADD:0236632,5.16,C1(=C(C=C(C)OC1=O)OC(=C2C#N)N)C2c3cc(Br)ccc3F,0.0
34914,CO-ADD:0236224,5.16,N12C(S\C(=C/c3cccc(OC)c3)\C1=O)=C(C(c4cccc(OC)c4)C(C(OCC)=O)=C2N)C#N,0.0
34915,CO-ADD:0230938,5.16,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cccn2)c2)c3ccc(cc3OC)OC,0.0
34916,CO-ADD:0236755,5.16,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc2)ccc2Cl)c3c(OC)ccc(OC)c3,0.0
34917,CO-ADD:0231493,5.16,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccc(cc2Br)Cl)=O)c3cccc(Br)c3,0.0
34918,CO-ADD:0233272,5.16,S(NCCCCNS(=O)(=O)c(ccc(c1[N+](=O)[O-])C)c1)(=O)(=O)c(ccc(c2[N+](=O)[O-])C)c2,0.0
34919,CO-ADD:0236710,5.16,c(cc1CC\C=C(/C)\C)(c2c(n1)cccc2)C(O)=O,0.0
34920,CO-ADD:0231415,5.16,c1(c(ccc(c1)[N+](=O)[O-])Oc(cc2)ccc2\C=N\c(ccc(c34)oc(c5ccc(c(Cl)c5)Cl)n3)c4)[N+](=O)[O-],0.0
34921,CO-ADD:0234860,5.16,C(=C\c(cc1)ccc1F)/C(=O)c2ccc(cc2)\N=C\c(cc3)ccc3N(C)C,0.0
34922,CO-ADD:0236517,5.16,c1(oc(c2n1)ccc(c2)\N=C\c(cc(OCO3)c3c4)c4Cl)c5ccc(cc5Cl)Cl,0.0
34923,CO-ADD:0234889,5.16,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(cc4)ccc4OC(=O)c5ccc(cc5)Br,0.0
34924,CO-ADD:0240090,5.16,C=C1[C@]([C@]([H])(C2=CC=CC=C2)NS(C3=CC=C(C)C=C3)(=O)=O)([H])CC(C(OC)=O)(C(OC)=O)C1,0.0
34925,CO-ADD:0240095,5.16,C=C1[C@]([C@]([H])(C2=CC=CC=C2)N3C=CC4=C3C=C(Cl)C=C4)([H])CC(C(OC)=O)(C(OC)=O)C1,0.0
34927,CO-ADD:0243525,5.16,C12=C(C(CC(=O)N1c3ccc(cc3)OC)c(cc4OC)cc(c45)OCO5)SC(=O)N2C,0.0
34928,CO-ADD:0243734,5.16,c1c(C2C(C(=O)OC)OC3=C2C(=O)OC(C)=C3)cc(OC)c4c1OCO4,0.0
34930,CO-ADD:0243508,5.16,N1(C(SC2=C1N(c(c3)cccc3)C(=O)CC2c4cc(OCO5)c5c(OC)c4)=O)CC(=O)OC,0.0
34931,CO-ADD:0243820,5.16,c1(c(ccc(OC)c2)c2)c(c(cc(OC)c3c4OCO3)c4OC)cno1,0.0
34932,CO-ADD:0236614,5.16,C1(C#N)(C#N)[C@H](c2ccccc2)[C@H](N3[C@]1([H])C=Cc(c34)cc(cc4)Cl)C(=O)c5ccc(cc5)OC,0.0
34933,CO-ADD:0236741,5.16,N1(CCO)C(C)(O)C(OC1=O)(C)CC,0.0
34934,CO-ADD:0236752,5.16,N1(c2cccc(Cl)c2)C(N(O)C(=O)Nc3cccc(Cl)c3)C(N(C4CCCCC4)C1=O)(C)C,0.0
34935,CO-ADD:0232915,5.16,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)NC3CCCCC3,0.0
34936,CO-ADD:0231119,5.16,C(/O)(\c1ccccc1)=C/C=N/c(cc2)ccc2Cl,0.0
34937,CO-ADD:0234557,5.16,n(Cc1ccccc1)(c2c(c3\C=N\NC(COc(cc4)ccc4Cl)=O)cccc2)c3,0.0
34938,CO-ADD:0231702,5.16,n1c2c(sc1c3ccc(cc3)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-])ccc(C)c2,0.0
34939,CO-ADD:0231123,5.16,N(c1ccccc1C)C(CCC(=O)N\N=C\c(cc2)ccc2OCc3ccccc3)=O,0.0
34940,CO-ADD:0234549,5.16,C1(Br)(C(OC)=O)C(C2Br)OC(C2Br)C1(Br)C(OC)=O,0.0
34941,CO-ADD:0231036,5.16,C(=O)(Nc(cc1)ccc1Cl)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O,0.0
34942,CO-ADD:0234570,5.16,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(COc3c(C)cccc3C)=O)[N+](=O)[O-],0.0
34944,CO-ADD:0243786,5.16,c(c(SCC(=CC1=O)OC(C(c2c(OC)c3c(OCO3)c(OC)c2)CC(=O)OC)=C1O)c(F)c4)cc4F,0.0
34945,CO-ADD:0243213,5.16,c(OC)(c1OC)c(CC2CC(C(=O)OCC)=NO2)c(\C=N\O)c(OCO3)c13,0.0
34946,CO-ADD:0243221,5.16,c1(c(OCO1)c2\C=N\NC(N)=S)c(OC)c(c2CC(CC(=N3)c4ccc(cc4)F)O3)OC,0.0
34947,CO-ADD:0243238,5.16,C(CC(O1)Cc(cc(OC)c(c23)OCO2)c3OC)(C(NN)=O)=N1,0.0
34948,CO-ADD:0243840,5.16,c(C(=O)C1OC1c(cc2OC)ccc2OC)(c3Br)c(OC)c(OCO4)c4c3OC,0.0
34949,CO-ADD:0231015,5.15,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2N=Nc3ccccc3)c4ccccc4C(=O)Oc(cc5)ccc5\C=N\c(cc6)ccc6N=Nc7ccccc7,0.0
34950,CO-ADD:0232870,5.15,c12c(c3c(cccc3)[nH]1)nnc(N\N=C\c(ccc(c4OC)O)c4)n2,0.0
34951,CO-ADD:0234874,5.15,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(=O)\C(=C/c(cc3)ccc3N(C)C)\NC(c4ccccc4)=O,0.0
34952,CO-ADD:0236760,5.15,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccc(cc2C)Cl)c3c(OC)ccc(OC)c3,0.0
34953,CO-ADD:0231414,5.15,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4ccccc4O,0.0
34954,CO-ADD:0232910,5.15,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)Nc3c(C)cccc3C,0.0
34955,CO-ADD:0229483,5.15,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)c(Cl)cc3[N+](=O)[O-],0.0
34956,CO-ADD:0234187,5.15,c1(oc(c2n1)ccc(c2)\N=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3)c5cc(Cl)ccc5Cl,0.0
34957,CO-ADD:0236082,5.15,c1(C#N)c(C)c(oc1\N=C\c2ccc(cc2Cl)Cl)C,0.0
34958,CO-ADD:0231485,5.15,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Cl)cc3Br)c3O)c4ccc(cc4Cl)F,0.0
34959,CO-ADD:0229844,5.15,N1(c2ccc(cc2)Cl)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
34960,CO-ADD:0234243,5.15,c1(c(O)c(\C=N\c(cc2)ccc2C)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
34961,CO-ADD:0243689,5.15,N(CCO1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3cc(OC)ccc3)C2c(c4)c(OC)c(OC)c(OCO5)c45,0.0
34963,CO-ADD:0243260,5.15,c(OC)(cc1CCC(C)O)c(OC2)c(O2)c1OC,0.0
34964,CO-ADD:0243412,5.15,c(OC)(cc1C(n(cnc2)c2)=O)c(OCO3)c3c1OC,0.0
34966,CO-ADD:0243273,5.15,c(OC1)(c(OC)cc2CC(=O)NCCO)c(O1)c2OC,0.0
34967,CO-ADD:0243257,5.15,n(n1)(c2c(C(c(cc3OC)c(OC)c4c3OCO4)CC(=O)N2)c1C)c(nnc5N6CCCC6)cc5,0.0
34968,CO-ADD:0243377,5.15,C1(NC(=O)CC2c(cc(c3c4OC)OCO3)c4OC)=C2C(NC(N)=N1)=O,0.0
34970,CO-ADD:0243333,5.15,c1(F)ccc(n(c(c2C3c(cc(OCO4)c45)cc5OC)NC(=O)C3)cn2)cc1,0.0
34971,CO-ADD:0230970,5.15,C(C(OCC)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(CC(OCC)=O)OC(N)=C1C#N,0.0
34972,CO-ADD:0231411,5.15,[N+](=O)([O-])c1c(Cl)ccc(c1)c2ccc(\C=N\c3ccccc3F)o2,0.0
34973,CO-ADD:0232855,5.15,C1(C(=O)CSc2nccn2C)=Cc3c(OC1=O)ccc(cccc4)c34.Br,0.0
34974,CO-ADD:0231056,5.15,C(C(c1ccc(cc1)Cl)Nc(cc2)ccc2CCCC)C(=O)c3ccc(cc3)OC,0.0
34975,CO-ADD:0232905,5.15,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c3ccc(cc3Cl)Cl,0.0
34976,CO-ADD:0227445,5.15,N(\C(=C/c(cc1)ccc1C(C)C)\C(O2)=O)=C2c(cc3)ccc3C4=N\C(\C(=O)O4)=C/c(cc5)ccc5C(C)C,0.0
34977,CO-ADD:0236844,5.15,c(c1ccc2C(=O)OCC(=O)c3ccc(cc3)Br)(c24)N(CC(CC=C5)C45)CC(CC=C6)C16,0.0
34978,CO-ADD:0233287,5.15,C12=C(C=C(C)NC1=S)\C(\OC2=O)=C([H])/c3ccc(cc3Cl)Cl,0.0
34979,CO-ADD:0231677,5.15,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
34980,CO-ADD:0236270,5.15,S(=O)(=O)(c1cccc2c1cccc2S(=O)(=O)N(CC3)CCN3c4ccccc4)N(CC5)CCN5c6ccccc6,0.0
34981,CO-ADD:0243215,5.15,c(\C=N/NC(=O)N)(c1OC)c(CC2CC(c(c3)ccc(F)c3)=NO2)c(OC)c(OCO4)c14,0.0
34982,CO-ADD:0243231,5.15,c(OCO1)(c2OC)c1c(c(\C=N\NC(N)=S)c2CC(C)Cl)OC,0.0
34983,CO-ADD:0243733,5.15,N1(CCCC1)CCN(C(=O)C(O)=C2C(=O)c3cc(OCO4)c4cc3)C2c(c5)cc(OCO6)c6c5OC,0.0
34984,CO-ADD:0243941,5.15,c(cc1C(C2C(c(cc3OC)c(OC)c4c3OCO4)O2)=O)c(OO)cc1,0.0
34985,CO-ADD:0243653,5.15,c(OC)(cc1)ccc1C\C(=N\OC(c(c2OC)cc(OC)c3c2OCO3)=O)\N,0.0
34986,CO-ADD:0243192,5.15,c(\C=N\O)(c1OC)c(CCC)c(OC)c2c1OCO2,0.0
34987,CO-ADD:0243355,5.15,c1([nH]2)c(cn2)C(SCC(=O)N1)c(cc3OC)cc(c34)OCO4,0.0
34988,CO-ADD:0243464,5.15,c(C(C1)c2cc(OC)c3c(OCO3)c2)(c(NC1=O)c4C(O)=O)n(c4)c(cccc5C(F)(F)F)c5,0.0
34989,CO-ADD:0232864,5.15,n1c2c(oc1c3ccc(cc3)F)ccc(c2)NC(=O)c4ccc(cc4)F,0.0
34990,CO-ADD:0236541,5.15,C1(C#N)(C#N)[C@@H](c2ccc(cc2)F)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)c5cccs5,0.0
34991,CO-ADD:0231158,5.15,C(=S)(Oc(cc1)ccc1C(=O)Nc2cccc(Br)c2)N(CC(C)C)CC(C)C,0.0
34992,CO-ADD:0231152,5.15,N1(C(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc(cc3)C)C(N1C(=O)c(c4)cc(cc4[N+](=O)[O-])[N+](=O)[O-])c5ccc(cc5)OCc6ccccc6,0.0
34993,CO-ADD:0236877,5.15,c1(NC(=O)c2cccc(I)c2)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
34994,CO-ADD:0227433,5.15,c1(\C=N/NC(CNc(cc2Br)cc(c2C)Br)=O)c(O)ccc(cccc3)c13,0.0
34995,CO-ADD:0233009,5.15,N(c1ccccc1C#N)C(=O)\C=C\c2ccccc2,0.0
34996,CO-ADD:0232982,5.15,N(=C(SC)NN=C1Cc2ccccc2)C1=O,0.0
34997,CO-ADD:0232974,5.15,[N+](=O)([O-])c(cccc1C(=O)Nc2ccc(cc2C(O)=O)C)c1,0.0
34998,CO-ADD:0232882,5.15,C(=O)(Nc(cc1)ccc1CC)C(NCCN(CC2)CCN2Cc(cc3)ccc3Br)=O,0.0
34999,CO-ADD:0233023,5.14,[N+](=O)([O-])c1ccccc1C(=O)N\N=C(/C)\C=C\c2ccccc2,0.0
35000,CO-ADD:0233501,5.14,c1(c(Br)cc(cc1\C=N\NC(=O)c(cccn2)c2)Br)OC(=O)c(ccc(c34)OCO3)c4,0.0
35001,CO-ADD:0236551,5.14,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC(=O)Oc3ccccc3)c4ccco4,0.0
35002,CO-ADD:0231159,5.14,C(=O)(N\N=C\c1ccc(cc1OC)O)c2ccc(cc2)Cl,0.0
35003,CO-ADD:0236951,5.14,O=C(C1=CC=C(OC)C=C1CC/2)C2=CC3=CC=CN=C3Cl,0.0
35004,CO-ADD:0218752,5.14,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(=O)c2ccc(cc2)Cl,0.0
35005,CO-ADD:0218336,5.14,c1(c(C)ccc(c1)NC(COc2ccc(cc2Cl)Cl)=O)NC(COc3ccc(cc3Cl)Cl)=O,0.0
35006,CO-ADD:0217919,5.14,[N+](=O)([O-])c(cccc1C(=O)OC2(CCCCC2)C#CC3(CCCCC3)OC(=O)c(cccc4[N+](=O)[O-])c4)c1,0.0
35007,CO-ADD:0218503,5.14,C(=O)(Nc(cc1)ccc1Cl)Nc(cc2)ccc2OCCCCCCCCCC,0.0
35008,CO-ADD:0218023,5.14,N1(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C(\CC)/C=N/Nc4ccc(cc4C(c5ccccc5)=O)Cl,0.0
35009,CO-ADD:0218031,5.14,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2OC)cc(c2O)I)=C\c3cccs3,0.0
35010,CO-ADD:0226704,5.14,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc(cc4)ccc4Br,0.0
35011,CO-ADD:0165924,5.14,c1(c2c(cccc2)ccc1OC(=O)c3cccc(cccc4)c34)\C=N\c(cc5)ccc5C,0.0
35012,CO-ADD:0166004,5.14,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CCCc2ccc(cc2OC)C)=O,0.0
35013,CO-ADD:0166483,5.14,N1(\N=C\c(cc2)ccc2OCC)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
35014,CO-ADD:0166727,5.14,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c3ccc(cc3)Cl,0.0
35015,CO-ADD:0165963,5.14,c12c(ccc(c1)\C=N/NC(CCCc(cc3)ccc3OC)=O)OCO2,0.0
35016,CO-ADD:0166140,5.14,c1(c(\C=N\NC(COc(cc2)c(Br)cc2[N+](=O)[O-])=O)ccc(O)c1OC)[N+](=O)[O-],0.0
35017,CO-ADD:0215708,5.14,c1(C#N)c(C)c(sc1\N=C\c(cc2)ccc2N(CC)CC)C,0.0
35018,CO-ADD:0215324,5.14,C(C(OCCOC)=O)(C1c2ccc(cc2)Cl)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
35019,CO-ADD:0215332,5.14,C(C(OCCOC)=O)(C1c2ccc(cc2)Cl)=C(N)OC(CCCC3=O)=C13,0.0
35020,CO-ADD:0215348,5.14,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)OC(C)=C2C(=O)OCc4ccccc4,0.0
35021,CO-ADD:0166163,5.14,N(=C(/C)\c1ccc(c2c1)cccc2)/NC(COc(cc3)ccc3Cl)=O,0.0
35022,CO-ADD:0229002,5.14,S(c1ccccc1)(=O)(=O)Oc(cc2)ccc2OCc3ccccc3,0.0
35023,CO-ADD:0227643,5.14,C(N(CC=C)CC=C)(=S)Oc(cc1)ccc1C(=O)Nc(cc2)ccc2F,0.0
35024,CO-ADD:0229032,5.14,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(ccc(c23)cccc2)c3,0.0
35025,CO-ADD:0229047,5.14,[N+](=O)([O-])c1ccc(cc1)NC(=O)CN(CC2)CCO2,0.0
35026,CO-ADD:0233762,5.14,N1(CCC[C@@H](C1)c(ccn2)o2)C([C@H](CCCC)N)=O.Cl,0.0
35027,CO-ADD:0234906,5.14,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(CNC(=O)c3cccc(F)c3)=O,0.0
35028,CO-ADD:0236042,5.14,c1(NC(COC(=O)C(C)N2C(=O)CCC2=O)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
35029,CO-ADD:0234083,5.14,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(NN)=O)c1.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
35030,CO-ADD:0236884,5.14,c1(ccc(cc1O)O)\C(\C)=N\NC(=O)c(cccn2)c2,0.0
35031,CO-ADD:0234338,5.14,[n+]1(c2ccccc2)c(Nc3ccccc3)cn(c4ccccc4)c1CCC.[Cl-],0.0
35032,CO-ADD:0227588,5.14,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N/NC(COc3ccc(cc3Br)Cl)=O,0.0
35033,CO-ADD:0231292,5.14,C(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\NC(=O)c3cccc(O)c3,0.0
35034,CO-ADD:0226197,5.14,N12C(C=CC(=C1)S(=O)(=O)N3CCCCC3)=NN(Cc(cccc4C(F)(F)F)c4)C2=O,0.0
35035,CO-ADD:0225742,5.14,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4ccc(cc4C)Br)=O,0.0
35036,CO-ADD:0225819,5.14,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4ccc(cc4C)Br)=O,0.0
35037,CO-ADD:0226123,5.14,S(=O)(=O)(N(Cc1cccc(Cl)c1)c(cc2)ccc2C(C)C)c3cccn(cnn4)c34,0.0
35038,CO-ADD:0225416,5.14,C1(=N2)N(C=Cn(nc(c3ccc(cc3)F)c4)c14)C(N2CC(=O)N(CC5)CCN5c6ccccc6F)=O,0.0
35039,CO-ADD:0221376,5.14,n1(cccc1)c2ccc(cc2)O,0.0
35040,CO-ADD:0221386,5.14,N1(c(cc(cc2C(=O)Nc3cccc(O)c3)C(=O)Nc4cccc(O)c4)c2)C(=O)c(c5C1=O)cccc5,0.0
35041,CO-ADD:0221387,5.14,c1(NC(CCC(O)=O)=O)sc(c(C)c1C#N)C,0.0
35042,CO-ADD:0221605,5.14,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)OCc3ccccc3,0.0
35043,CO-ADD:0221603,5.14,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c(cc3)ccn3,0.0
35044,CO-ADD:0221521,5.14,[N+](=O)([O-])c1ccccc1COC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
35045,CO-ADD:0221966,5.13,C(=C/c1c(cccc1Cl)Cl)(/c2c3ccc(C(C)=O)c2)\c4c3ccc(C(C)=O)c4,0.0
35046,CO-ADD:0222606,5.13,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c(cc3)ccc3N=Nc4ccccc4,0.0
35047,CO-ADD:0222698,5.13,c1(n[nH]cn1)NC(=O)c(cccc2[N+](=O)[O-])c2,0.0
35048,CO-ADD:0222414,5.13,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(cc3)ccc3N(CCC)CCC,0.0
35049,CO-ADD:0219098,5.13,C(COc1cccc(Br)c1)(NCCCCCCCCCNC(COc2cccc(Br)c2)=O)=O,0.0
35050,CO-ADD:0219088,5.13,C(COc(cc1)ccc1CCCCC)(=O)N\N=C\c2ccccc2Br,0.0
35051,CO-ADD:0220404,5.13,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c2cc(OC)ccc2O,0.0
35052,CO-ADD:0220429,5.13,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc3cccc(Br)c3)=O,0.0
35053,CO-ADD:0220817,5.13,[N+](=O)([O-])c1cc(ccc1O)\C=N\Nc(nc(Nc2ccccc2)nc3Nc(cc4)ccc4OC)n3,0.0
35054,CO-ADD:0220761,5.13,S(=O)(=O)(c1ccc(cc1)\N=C\c2cc(Br)ccc2O)c3ccc(cc3)\N=C\c4ccccc4Cl,0.0
35055,CO-ADD:0218317,5.13,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(/C)\c(cc2)ccc2c3ccccc3,0.0
35056,CO-ADD:0226760,5.13,C1(=N2)N(C=Cn(nc(c3ccc(cc3)C)c4)c14)C(N2CC(=O)Nc(cc5)ccc5OC)=O,0.0
35057,CO-ADD:0217856,5.13,[C@]1(C#N)(C#N)[C@@]([H])(c2ccccc2I)[C@]([H])(C3)C(C(C#N)=C1N)=CCN3CCC,0.0
35058,CO-ADD:0217872,5.13,C(/S1)(\C(Cl)=NS1)=N/c2sc(c3n2)cccc3,0.0
35059,CO-ADD:0218448,5.13,C(COc(ccc(c12)cccc1)c2)(=O)N\N=C\C(c3ccccc3)=O,0.0
35060,CO-ADD:0165949,5.13,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(ccc(c2OC)OCc(cc3)ccc3Br)c2,0.0
35061,CO-ADD:0166081,5.13,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cccc2OC(=O)c3ccco3)c2,0.0
35062,CO-ADD:0166248,5.13,C(COc(cc1)ccc1C)(=O)Nc(cc2)ccc2NC(COc(cc3)ccc3C)=O,0.0
35063,CO-ADD:0166300,5.13,C(=O)(N\N=C\c(cc1)ccc1C)C(=O)Nc2cccc(C)c2,0.0
35064,CO-ADD:0166340,5.13,S1(=O)(=O)c2c(C(N(C)\N=C\c3cccc(OC)c3O)=N1)ccc(c2)[N+](=O)[O-],0.0
35065,CO-ADD:0166218,5.13,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(cc2)ccc2C,0.0
35066,CO-ADD:0166189,5.13,c1(cccc(cccc2)c12)CC(=O)N\N=C\C=C\c3ccco3,0.0
35067,CO-ADD:0234765,5.13,c(cnc(n1)N\N=C(\C2)/c3c(CC2)cccc3)(C(OCC)=O)c1C,0.0
35068,CO-ADD:0236107,5.13,C(F)(F)(C(=O)Nc1sc(cn1)C)C(F)(F)C(F)(F)Cl,0.0
35069,CO-ADD:0236429,5.13,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCN3CCO)C1=O,0.0
35070,CO-ADD:0236055,5.13,C1(C(=O)N\N=C\c2sccc2C)CC1c3ccccc3,0.0
35071,CO-ADD:0234378,5.13,C(=O)(Oc(cc1)ccc1c2ccccc2)c3ccccc3F,0.0
35072,CO-ADD:0234391,5.13,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)Cc2cccs2,0.0
35073,CO-ADD:0227161,5.13,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(=O)OCC3CCCCC3,0.0
35074,CO-ADD:0227227,5.13,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2c(Br)cc(cc2Br)Br)=O)O)c1,0.0
35075,CO-ADD:0231240,5.13,C(=O)(Nc1cccc(Cl)c1C)c2ccccc2Br,0.0
35076,CO-ADD:0227898,5.13,n1c(c2ccc(cc2)C=C)csc1N,0.0
35077,CO-ADD:0231339,5.13,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OCc3ccccc3Cl)c4ccccc4OC,0.0
35078,CO-ADD:0231313,5.13,C(c1ccccc1)(=O)N\N=C\c(cc2)ccc2OC(C)C,0.0
35079,CO-ADD:0226208,5.13,S(=O)(=O)(N(c1ccccc1)Cc(ccc(c2F)OC)c2)c(ccc3n4c(CC)nn3)c4,0.0
35080,CO-ADD:0226897,5.13,c12n(c3c(cccc3)nc1SCC(=O)Nc4ccc(cc4Cl)C)c(nn2)CC,0.0
35081,CO-ADD:0225745,5.13,C1(=N2)N(C=CN=C1Sc3cccc(C)c3)C(N2CC(=O)Nc4ccccc4OCC)=O,0.0
35082,CO-ADD:0225753,5.13,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc4c(C)cc(cc4C)C)=O,0.0
35083,CO-ADD:0221476,5.13,S(=O)(=O)(c1cccc2c1cccc2S(=O)(=O)N(Cc3ccccc3)Cc4ccccc4)N(Cc5ccccc5)Cc6ccccc6,0.0
35084,CO-ADD:0221538,5.13,[N+](=O)([O-])c1ccccc1Oc(cc2)ccc2C(=O)c3ccc(cc3)Oc4ccccc4[N+](=O)[O-],0.0
35085,CO-ADD:0222158,5.13,n1c(ccc(c2)\N=C\c(cc(Cl)cc3I)c3O)c2oc1c(cc4)ccc4C(C)(C)C,0.0
35086,CO-ADD:0221268,5.13,C(=O)(c1ccc(cc1)F)C(CCCCCCC(CN(CC2)CCO2)C(=O)c3ccc(cc3)F)CN(CC4)CCO4.Cl.Cl,0.0
35087,CO-ADD:0221681,5.13,C(C(c1ccccc1)=O)C(c2ccc(cc2)F)Nc3cccc(Cl)c3,0.0
35088,CO-ADD:0221353,5.13,N1(CCC(=O)OCn(c2)ncn2)C(=O)c(c3C1=O)cccc3,0.0
35089,CO-ADD:0220992,5.13,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(cc3)ccc3F,0.0
35090,CO-ADD:0221002,5.12,c1(O)c(O)ccc(\C=N\NC(COc2ccc(cc2OC)Br)=O)c1O,0.0
35091,CO-ADD:0220167,5.12,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(ccc(c34)oc(c5ccccc5)n3)c4)[N+](=O)[O-],0.0
35092,CO-ADD:0220641,5.12,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/CC)\c(cc3)ccc3c4ccccc4,0.0
35093,CO-ADD:0219174,5.12,c1(C(NCCOCc2ccccc2)=O)cc(F)c(cc1Cl)F,0.0
35094,CO-ADD:0220312,5.12,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(CNc3cccc(C)c3)=O,0.0
35095,CO-ADD:0219591,5.12,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2CC,0.0
35096,CO-ADD:0220378,5.12,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(CNc3cccc(C)c3)=O)o2,0.0
35097,CO-ADD:0221911,5.12,N1(c(cc(cc2N3C(=O)c(c4C3=O)cccc4)C(F)(F)F)c2Cl)C(=O)c(c5C1=O)cccc5,0.0
35098,CO-ADD:0220732,5.12,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c(c2c([nH]3)cccc2)c3)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
35099,CO-ADD:0219544,5.12,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)NC(C)c2ccccc2,0.0
35100,CO-ADD:0226069,5.12,C1(=N2)N(C=CN=C1N(C)CCC)C(N2CC(=O)Nc(cc3)ccc3F)=O,0.0
35101,CO-ADD:0217979,5.12,C1(N(c2ccc(cc2)C)CCN1c3ccc(cc3)C)c(ccc4Sc5cccc(cccn6)c56)o4,0.0
35102,CO-ADD:0218611,5.12,c1(ccc(c2c1O)cccc2)\C(\C)=N\NC(c3ccccc3)=O,0.0
35103,CO-ADD:0218804,5.12,[N+](=O)([O-])c1ccc(cc1)\C=N\c(cc2)ccc2Sc(cc3)ccc3\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
35104,CO-ADD:0218324,5.12,c1(Cl)c(ccc(Cl)c1)OCC(NCCCCCCCC)=O,0.0
35105,CO-ADD:0218445,5.12,C(COc1cccc(Br)c1)(=O)N\N=C\C(c2ccccc2)=O,0.0
35106,CO-ADD:0225545,5.12,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc(cc4)ccc4OC)c2,0.0
35107,CO-ADD:0166730,5.12,c1(OC(N)=C(C2c3cc(Br)ccc3OC)C#N)c2c(n[nH]1)C,0.0
35108,CO-ADD:0166762,5.12,c1(C(=O)N\N=C\c(cc2)ccc2F)c(O)cc(c3c1)cccc3,0.0
35109,CO-ADD:0166043,5.12,N#Cc(cc1)ccc1\C=N\NC(Cc(cc2)ccc2Cl)=O,0.0
35110,CO-ADD:0166451,5.12,[N+](=O)([O-])c(ccc(c1\C=N/NC(=O)C(=O)NC(C)c2ccccc2)O)c1,0.0
35111,CO-ADD:0166423,5.12,N1(CNc(cc2)ccc2OC)C(=O)\C(\SC1=S)=C\c(cc3)ccc3C(OC)=O,0.0
35112,CO-ADD:0166009,5.12,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(cc2)ccc2OCC,0.0
35113,CO-ADD:0234426,5.12,C12(C=Cc(c3O1)cc(cc3[N+](=O)[O-])OC)C(C)(C)c(c4N2C)cccc4,0.0
35114,CO-ADD:0234413,5.12,C(/C(C(C)C)=O)(=C\c1ccc(cc1Cl)Cl)\n(c2)ncn2,0.0
35115,CO-ADD:0236441,5.12,c(Nc1ccccc1)(nc(NCCN(CC2)CCO2)nc3Nc4ccccc4)n3,0.0
35116,CO-ADD:0236434,5.12,n1c(SCC(=O)Nc2ccc(cn2)Br)[nH]nc1c3ccccc3,0.0
35117,CO-ADD:0231839,5.12,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])Br,0.0
35118,CO-ADD:0236897,5.12,C(=O)(NCc1ccccc1)C(NCCc2ccccc2F)=O,0.0
35119,CO-ADD:0231291,5.12,S(=O)(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccc(cc2)Cl)c(cccc3[N+](=O)[O-])c3,0.0
35120,CO-ADD:0227302,5.12,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(cc3)ccc3N(C)C,0.0
35121,CO-ADD:0229668,5.12,S1(=O)(=O)c(cccc2)c2C(=O)N1CC(=O)Nc3ccccc3,0.0
35122,CO-ADD:0227866,5.12,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(ccc(c2C)C)c2)c3ccc(cc3Cl)Cl,0.0
35123,CO-ADD:0227848,5.12,N1(c2sccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cccc(c4)Oc(ccc(c5C6=O)C(N6c7ccccc7)=O)c5,0.0
35124,CO-ADD:0227324,5.12,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(ccc(c3OC)O)c3,0.0
35125,CO-ADD:0226945,5.12,C1(=N2)N(c3c(cccc3)N=C1N(C)C)C(N2CC(=O)Nc(ccc(c45)OCO4)c5)=O,0.0
35126,CO-ADD:0225414,5.12,C1(=N2)N(C=Cn(nc(c3ccc(cc3)F)c4)c14)C(N2CC(=O)NCc5ccccc5Cl)=O,0.0
35127,CO-ADD:0225232,5.12,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc(ccc(c4F)F)c4)C2=O,0.0
35128,CO-ADD:0225822,5.12,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4c(OC)ccc(Cl)c4)=O,0.0
35129,CO-ADD:0221378,5.12,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5)OCC,0.0
35130,CO-ADD:0218987,5.12,C(=O)(c(cc1)ccc1c2ccccc2)N(CC3)CCO3,0.0
35131,CO-ADD:0219061,5.12,c1(c(O)cc(c2c1)cccc2)C(=O)N\N=C(/C)\CC(=O)Nc3cccc(Cl)c3C,0.0
35132,CO-ADD:0221127,5.12,n1c(N)[nH]nc1c2ccc(cc2)F,0.0
35133,CO-ADD:0221096,5.11,N(c1c(C)cccc1C)C(=O)C(=S)Nc(cc2)ccc2C(OC)=O,0.0
35134,CO-ADD:0221118,5.11,C1(C)(CC2)C(C[C@@H](C)[C@]1(C)C(C)=O)C(C23)CCC(=CC(=O)C=C4)C34C,0.0
35135,CO-ADD:0219600,5.11,N(C(CCC(=O)N\N=C\c(ccc(c1OC)OC)c1)=O)c2ccc(cc2C)I,0.0
35136,CO-ADD:0219714,5.11,[N+](=O)([O-])c1ccccc1\C=N\NC(CSCc(cc2)ccc2Cl)=O,0.0
35137,CO-ADD:0222077,5.11,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(=O)Nc2ccccc2C,0.0
35138,CO-ADD:0221957,5.11,N(C(CCCCCCCCCCCCCCCCC)=O)c1ccc(cn1)C,0.0
35139,CO-ADD:0222742,5.11,c1(ccc(cc1OC)OC)\C(\C)=N\NC(=O)Cc2cccc(cccc3)c23,0.0
35140,CO-ADD:0222202,5.11,c1(c2ccc(c3c2)cccc3)oc4c(ccc(c4)\N=C\c(cc5)ccc5Cl)n1,0.0
35141,CO-ADD:0226054,5.11,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4)C(N2CC(=O)NCc(cc5)ccc5SC)=O,0.0
35142,CO-ADD:0225538,5.11,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc4ccc(cc4C)C)c2,0.0
35143,CO-ADD:0225541,5.11,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc4ccccc4C(OCC)=O)c2,0.0
35144,CO-ADD:0225588,5.11,c12n(ccn(c(nn3)CCC(=O)N(CC4)CCN4c(cc5)ccc5C(C)=O)c13)nc(c6ccccc6)c2,0.0
35145,CO-ADD:0225604,5.11,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4cc(OC)cc(OC)c4)=O,0.0
35146,CO-ADD:0225554,5.11,N12C(C=CC(C(=O)Nc(cc3)ccc3OC)=C1)=NN(CC(=O)Nc(cc4)ccc4C(C)C)C2=O,0.0
35147,CO-ADD:0225655,5.11,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc4ccccc4C(OC)=O)=O,0.0
35148,CO-ADD:0225703,5.11,C1(=N2)N(C=CN=C1Oc(cc(C)cc3C)c3)C(N2CC(=O)Nc4cccc(SC)c4)=O,0.0
35149,CO-ADD:0166018,5.11,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(ccc(c2OCC)OCc3ccccc3)c2,0.0
35150,CO-ADD:0166233,5.11,N(=C(/C)\c1ccc(cc1)OC)/NC(COc(ccc(c2C)C)c2)=O,0.0
35151,CO-ADD:0214944,5.11,C(=O)(C(C)(C)C)Nc(cc1)ccc1C(=O)N\N=C\c(cc2)ccc2Cl,0.0
35152,CO-ADD:0231253,5.11,[N+](=O)([O-])c(cccc1C(=O)Oc2ccc(c3c2\C=N\c(cc4)ccc4C(OC)=O)cccc3)c1,0.0
35153,CO-ADD:0231835,5.11,[N+](=O)([O-])c1cccc(c1)\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O,0.0
35154,CO-ADD:0227787,5.11,C1(C#N)=C(N)OC(=C(C(C)=O)C1c2cccc(cccc3)c23)C,0.0
35155,CO-ADD:0227474,5.11,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(=O)\C(\NC(c3ccccc3)=O)=C\c4cccs4,0.0
35156,CO-ADD:0227729,5.11,c1(sc(c2n1)cccc2)S\C(\C(OCC)=O)=N\Nc3ccccc3,0.0
35157,CO-ADD:0231808,5.11,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3Cl)\N=C\c(cc4)ccc4C(OC)=O,0.0
35158,CO-ADD:0236917,5.11,C(C#N)(C1c2scc(Br)c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
35159,CO-ADD:0236886,5.11,C(=CC(=O)c(c12)ccc(cccc3)c13)(O2)C(F)(F)C(F)F,0.0
35160,CO-ADD:0233351,5.11,S(=O)(=O)(c1ccc(cc1)C)Oc2c(cccc2C=O)OC,0.0
35161,CO-ADD:0233338,5.11,C(Cc(ccc(c1OC)OC)c1)(=O)NC(C)CCc2ccc(cc2OC)OC,0.0
35162,CO-ADD:0236359,5.11,n12c(ccc(N\N=C\c(cc3)ccc3N(C)C)n1)nnc2C(F)(F)F,0.0
35163,CO-ADD:0231502,5.11,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Cl)cc3Cl)c3O)c4ccc(cc4Cl)F,0.0
35164,CO-ADD:0231454,5.11,n1c2c(oc1c3cccc(c3)\N=C/c(ccc(c4Cl)Cl)c4)ccc(C)c2,0.0
35165,CO-ADD:0236654,5.11,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc(C)cc2C)c2)c3c(OC)ccc(OC)c3,0.0
35166,CO-ADD:0236546,5.11,c(cc(c1N(C(C(=O)C(C)(C)C)[C@@]([C@@]23[H])([H])[C@H](C4)O[C@H](O4)C2=O)C35[H])C=C5)cc1,0.0
35167,CO-ADD:0229691,5.11,c1(NCC(=O)N\N=C(\C)/CCCC)c(Br)cc(cc1Br)Br,0.0
35168,CO-ADD:0231518,5.11,N(\C(=C/c(cc1)ccc1F)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
35169,CO-ADD:0233290,5.11,c1(C(O)=O)cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
35170,CO-ADD:0236711,5.11,c(C(O)=O)(c1c2cccc1)c(C\C=C(\C)/C)c(n2)C,0.0
35171,CO-ADD:0225353,5.11,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc(cccc5C#N)c5,0.0
35172,CO-ADD:0226169,5.11,S(=O)(=O)(N(c1ccc(cc1)CC)Cc2ccccc2Cl)c3cccn(c(nn4)C)c34,0.0
35173,CO-ADD:0225746,5.11,C1(=N2)N(C=CN=C1Sc3cccc(C)c3)C(N2CC(=O)Nc4ccc(cc4C)Br)=O,0.0
35174,CO-ADD:0226967,5.11,N1(c(ccs2)c2C(N3CCC(C)C)=O)C3=NN(CC(=O)NC(C)C)C1=O,0.0
35175,CO-ADD:0225823,5.11,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4c(OC)cc(c(Cl)c4)OC)=O,0.0
35176,CO-ADD:0221563,5.11,c1(NC(=O)OCC(CO2)(COC2(C)C)[N+](=O)[O-])c(SC)nsc1SC,0.0
35177,CO-ADD:0221348,5.11,c1(cc(Cl)ccc1O)C(=O)Nc(cc2)cc(c2Oc(ccc(c3n4)ns4)c3)Cl,0.0
35178,CO-ADD:0219014,5.11,c1(sccn1)\N=C\c(c2c([nH]3)cccc2)c3,0.0
35179,CO-ADD:0221090,5.11,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc(cccn2)c2)Cl,0.0
35180,CO-ADD:0221512,5.11,N1(c2ccccc2Cl)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
35181,CO-ADD:0221730,5.11,N1(CNc2ccc(cc2C)I)C(=O)\C(\SC1=S)=C/c3ccccc3Cl,0.0
35182,CO-ADD:0219820,5.11,C(CN(C)C)(=O)Nc(cc1)ccc1Cl,0.0
35183,CO-ADD:0219271,5.11,c(cc(I)cc1I)(\C=N\c2cccc(cccc3)c23)c1O,0.0
35184,CO-ADD:0219170,5.11,c1(\C=N\NC(CCC(=O)Nc(cc2)ccc2F)=O)c(O)ccc(cccc3)c13,0.0
35185,CO-ADD:0219427,5.11,c1(C)c(cccc1NC(CCC(=O)N\N=C\c(cc2)ccc2I)=O)Cl,0.0
35186,CO-ADD:0220259,5.1,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c2ccc(cc2O)C)c1,0.0
35187,CO-ADD:0219743,5.1,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2C(C)C,0.0
35188,CO-ADD:0220450,5.1,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c(cc2)ccc2Cl)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
35189,CO-ADD:0222048,5.1,c1(c2)c(cc(OC)c2NC(=O)c3ccc(cc3)Br)c4c(cccc4)o1,0.0
35190,CO-ADD:0220397,5.1,c1(NCC(=O)N\N=C\c(cc2)ccc2Cl)c(Br)cc(cc1Br)Br,0.0
35191,CO-ADD:0221912,5.1,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\NNC(=O)c3ccc(cc3)O,0.0
35192,CO-ADD:0226708,5.1,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc(ccc(c4Cl)OC)c4,0.0
35193,CO-ADD:0225589,5.1,c12n(ccn(c(nn3)CCC(=O)N(CC4)CCN4C(=O)c5ccco5)c13)nc(c6ccccc6)c2,0.0
35194,CO-ADD:0225298,5.1,c12n(c(nn1)SCc3c(cccc3Cl)F)c4c(ccc(c4)C(=O)NC5CCCC5)C(=O)N2C,0.0
35195,CO-ADD:0226466,5.1,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCc4cccc(C)c4,0.0
35196,CO-ADD:0214952,5.1,C(=O)(N\N=C\c(cc(OCO1)c1c2)c2Br)C(NCC=C)=O,0.0
35197,CO-ADD:0215377,5.1,C(C(OCC)=O)(=C(CSc1nc(N)c(c(c2ccc(cc2)F)c1C#N)C#N)OC(=C3C#N)N)C3c4cccs4,0.0
35198,CO-ADD:0215489,5.1,c1(C(F)(F)F)nc(sc1c2ccc(cc2)Cl)N\N=C\c(cc3)ccc3OC,0.0
35199,CO-ADD:0215545,5.1,n1c(c(cc2)ccc2c3ccccc3)csc1N\N=C\c(ccc(c4OC)O)c4,0.0
35200,CO-ADD:0214969,5.1,C(=O)(N\N=C\c(ccc(c1C)C)c1)C(=O)Nc2cccc(OC)c2,0.0
35201,CO-ADD:0215145,5.1,N1(c2ccc(cc2C)O)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
35202,CO-ADD:0227467,5.1,c(c(\C=C\c1cc(OC)ccc1OC)nc(n2)O)([N+](=O)[O-])c2O,0.0
35203,CO-ADD:0227937,5.1,C(CNc1ccccc1OC)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
35204,CO-ADD:0229151,5.1,C(=O)(N\N=C\c1ccccc1)c2ccc(cc2)OCCCCCC,0.0
35205,CO-ADD:0229170,5.1,S(=O)(=O)(c1ccc(cc1)C)NC(=O)Nc2c(Cl)ccc(Cl)c2,0.0
35206,CO-ADD:0231858,5.1,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(cccc4[N+](=O)[O-])c4,0.0
35207,CO-ADD:0227816,5.1,c1(CNC(CCCCC(O)=O)=O)ccco1.[K+],0.0
35208,CO-ADD:0237018,5.1,NCC(C)(C)C(O)C(NCCC(NCCCCCCC)=O)=O,0.0
35209,CO-ADD:0237020,5.1,OCC(C)(C)[C@@H](O)C(NCCC(NCCC1=CC=CC=C1)=O)=O,0.0
35210,CO-ADD:0237021,5.1,OCC(C)(C)[C@@H](O)C(NCC(C)C(NCCC1=CC=CC=C1)=O)=O,0.0
35211,CO-ADD:0236808,5.1,C1(=C(O)CC(C)(C)CC1=O)C(c2sccc2C)C3C(=O)CC(CC3=O)(C)C,0.0
35212,CO-ADD:0231155,5.1,C1(C(OCC)=O)=C(C)C=C(NC1=O)C,0.0
35213,CO-ADD:0231125,5.1,N1(CNc2cccc(Br)c2)C(=O)\C(\SC1=O)=C([H])\c(ccc(c34)OCO3)c4,0.0
35214,CO-ADD:0232999,5.1,c1(cc(ccc1Oc2ccccc2\C=N/NC(=O)c3cccc(F)c3)C(F)(F)F)[N+](=O)[O-],0.0
35215,CO-ADD:0230946,5.1,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)NCc3ccccc3OC,0.0
35216,CO-ADD:0226204,5.1,S(=O)(=O)(N(c1ccccc1)Cc2cccc(Cl)c2)c(ccc(n3c4)nn4)c3,0.0
35217,CO-ADD:0225757,5.1,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc4ccc(cc4C)C)=O,0.0
35218,CO-ADD:0225776,5.1,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc(cc4)ccc4CCCC)=O,0.0
35219,CO-ADD:0220139,5.1,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(CNc(cc2)ccc2C)=O)C(C)(C)C,0.0
35221,CO-ADD:0218986,5.1,N(/c(cc1)ccc1Cc(cc2)ccc2\N=C\c(cc3)ccc3OC)=C\c(cc4)ccc4OC,0.0
35222,CO-ADD:0221356,5.1,S(=O)(=O)(Nc(cc1)ccc1C(O)=O)c(c(Cl)cc(c2C(=O)Nc3ccccc3)Cl)c2,0.0
35223,CO-ADD:0221234,5.09,C(C#N)(C1c(cccc2[N+](=O)[O-])c2)=C(N)SC(N)=C1C#N,0.0
35224,CO-ADD:0221173,5.09,C(/C(C)=NN1)(=N/Nc(c(OC)c2)cc(c2NC(C)=O)OC)\C1=O,0.0
35225,CO-ADD:0220954,5.09,n(Cc1ccccc1)(c2c(c3\C=N\NC(=O)c4ccc(cc4)Br)cccc2)c3C,0.0
35226,CO-ADD:0222332,5.09,n1c(ccc(c2)C)c2oc1c3ccc(cc3)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
35227,CO-ADD:0221164,5.09,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(=O)N\N=C(/C)\CCc3ccccc3,0.0
35228,CO-ADD:0220502,5.09,c1(OCC(=O)N\N=C\c2cccc(OC)c2)c(Br)cc(cc1Br)C,0.0
35229,CO-ADD:0220843,5.09,c(Nc1ccccc1)(nc(N\N=C\c2cc(I)ccc2O)nc3Nc(cc4)ccc4OC)n3,0.0
35230,CO-ADD:0222395,5.09,c1(c2ccc(cc2)\N=C\c(ccc(c3[N+](=O)[O-])Cl)c3)sc(c4n1)cccc4,0.0
35231,CO-ADD:0222057,5.09,c1(c2c(s3)CCCC2)c3ncnc1N(C(C)=O)C(C)=O,0.0
35232,CO-ADD:0222056,5.09,c1(c2c(s3)CCCC2)c3N=C(CCC4)N4C1=N,0.0
35233,CO-ADD:0222019,5.09,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(COc3ccccc3C)=O,0.0
35234,CO-ADD:0226064,5.09,C1(=N2)N(C=CN=C1N3CC(C)CC(C)C3)C(N2CC(=O)NCc(cc4)ccc4SC)=O,0.0
35235,CO-ADD:0226017,5.09,C1(=N2)N(C=CN=C1N3CCCC(C)C3)C(N2CC(=O)Nc4ccc(cc4F)Br)=O,0.0
35236,CO-ADD:0226809,5.09,N1(c(ccs2)c2C(N3C)=O)C3=NN(Cc4cccc(Br)c4)C1=O,0.0
35237,CO-ADD:0226857,5.09,N1(c(ccs2)c2C(N3CCC(C)C)=O)C3=NN(CC(=O)c4cccc(OC)c4)C1=O,0.0
35238,CO-ADD:0225618,5.09,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccc(cc4F)F)=O,0.0
35239,CO-ADD:0225525,5.09,n(c1c(cccc1)nc2SCc3c(C)oc(c4cccc(C)c4)n3)(c(C(C)C)nn5)c25,0.0
35240,CO-ADD:0226701,5.09,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc(cc4)ccc4Cl,0.0
35241,CO-ADD:0226709,5.09,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc4ccc(cc4F)F,0.0
35242,CO-ADD:0225661,5.09,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc4ccccc4C(F)(F)F)=O,0.0
35243,CO-ADD:0214930,5.09,C(=O)(N\N=C\c(cc1)ccc1Cl)c2ccc(cc2)NC(CC)=O,0.0
35244,CO-ADD:0215634,5.09,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\c(cc3)ccc3I,0.0
35245,CO-ADD:0215483,5.09,C(=S)(Oc(cc1)ccc1C(=O)Nc2ccccc2F)N(CC(C)C)CC(C)C,0.0
35246,CO-ADD:0215454,5.09,C(=O)(C\C(\C)=N\NC(=O)c1cccc(F)c1)Nc2cc(C)ccc2OC,0.0
35247,CO-ADD:0215426,5.09,N(c1ccc(cc1)OC)(Cc(c2c3)ccc3C(=O)N\N=C\c(cc4)ccc4C(OC)=O)C2,0.0
35248,CO-ADD:0215833,5.09,C(=O)(N\N=C(/C)\CC(=O)Nc1c(Cl)ccc(Cl)c1)C(NCCO)=O,0.0
35249,CO-ADD:0166622,5.09,C(=O)(N\N=C\c(cc1)ccc1Cl)C(C)Oc2cccc(cccc3)c23,0.0
35250,CO-ADD:0166691,5.09,C(C(OCC)=O)(C1c2ccc(cc2)OCc3ccccc3)=C(CSc4nc(CC)c(cc4C#N)C)OC(N)=C1C#N,0.0
35251,CO-ADD:0166013,5.09,c(c(Br)c(C)cc1OCC(=O)N\N=C(/C)\CC(NCCc(ccc(c2OC)OC)c2)=O)c1Br,0.0
35252,CO-ADD:0166503,5.09,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccc(cc2)OCc(cc3)ccc3C)c4ccccc4Br,0.0
35253,CO-ADD:0165941,5.09,c1(c2c(cccc2)ccc1OC(=O)c3cccc(cccc4)c34)\C=N\c(ccc(c5C)C)c5,0.0
35254,CO-ADD:0227763,5.09,S(NCCOC(=O)Nc1ccccc1)(=O)(=O)c2ccc(cc2)C,0.0
35255,CO-ADD:0227156,5.09,C(=O)(Oc1ccc(cc1OCC)\C=N/NC(COc2cc(C)ccc2C(C)C)=O)c3ccccc3Cl,0.0
35256,CO-ADD:0229924,5.09,C(=O)(Nc(cc1)ccc1c2ccccc2)c3ccccc3Cl,0.0
35257,CO-ADD:0229542,5.09,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc3ccccc3OC,0.0
35258,CO-ADD:0229528,5.09,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3O,0.0
35259,CO-ADD:0229518,5.09,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3C(O)=O)Cl)c3,0.0
35260,CO-ADD:0233734,5.09,n1nc(oc1C(CC2)CCN2C(=O)[C@H](Cc3c[nH]cn3)NC(C)=O)C,0.0
35261,CO-ADD:0231523,5.09,C(=O)(Oc1cccc(c1)\C=N\NC(COc(cc2)ccc2C)=O)c3ccccc3Br,0.0
35262,CO-ADD:0230921,5.09,n1(c2c(nn1)cccc2)[C@@H]3[C@@H](c4ccccc4)CC(=CC3=O)c5ccccc5,0.0
35263,CO-ADD:0232971,5.09,N1(c2ccccc2c3ccccc3)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5ccccc5C(O)=O,0.0
35264,CO-ADD:0236539,5.09,C1(C#N)(C#N)[C@@H](c2ccc(cc2)F)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)c5ccc(cc5)F,0.0
35265,CO-ADD:0231146,5.09,[N+](=O)([O-])c1ccc(cc1)NC(c2ccc(cc2)Br)CC(=O)c3ccc(cc3)CC,0.0
35266,CO-ADD:0234344,5.08,S(NCCCCCCNS(=O)(=O)c1ccc(c2c1)cccc2)(=O)(=O)c3ccc(c4c3)cccc4,0.0
35267,CO-ADD:0227805,5.08,N([C@H]1CCCC[C@@H]1O)C(Cc(c2)c[nH]n2)C(O)=O,0.0
35268,CO-ADD:0234251,5.08,N(=C(/CCC)\c1ccccc1)/NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
35269,CO-ADD:0234476,5.08,c1(c(CCN(C)C1)nc(c2C#N)N)c2c3ccc(cc3)Br,0.0
35270,CO-ADD:0234482,5.08,c(C(OCC)=O)(c(C)nc1NC(=O)c2ccc(Cl)s2)s1,0.0
35271,CO-ADD:0221117,5.08,c12c(CCCC1=O)c3c(ccc(c3)C(F)(F)F)[nH]2,0.0
35272,CO-ADD:0219060,5.08,C(=O)(C\C(\C)=N\NC(COc(cc1)ccc1Br)=O)Nc2cccc(Cl)c2C,0.0
35273,CO-ADD:0221493,5.08,[N+](=O)([O-])c1ccccc1NC(=O)c2ccc(cc2)Oc(cc3)ccc3C(=O)Nc4ccccc4[N+](=O)[O-],0.0
35274,CO-ADD:0221719,5.08,N1(CNc2cccc(F)c2)C(=O)\C(\SC1=S)=C/c3cccc(F)c3,0.0
35275,CO-ADD:0221075,5.08,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(COc3ccc(cc3OC)Br)=O)o2)c1,0.0
35276,CO-ADD:0221083,5.08,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(COc2ccc(cc2OC)Br)=O)Br,0.0
35277,CO-ADD:0219808,5.08,S(=O)(=O)(NOCCC)c1ccccc1[N+](=O)[O-],0.0
35278,CO-ADD:0219772,5.08,C(=O)(c1ccc(cc1)Cl)Oc2ccccc2\C=N\c3cccc(c3)\N=C\c4ccccc4OC(=O)c5ccc(cc5)Cl,0.0
35279,CO-ADD:0220516,5.08,C(COc(cc1)c(C)cc1C(C)(C)C)(=O)N\N=C\c2ccccc2Cl,0.0
35280,CO-ADD:0220213,5.08,c1(O)c(I)cc(cc1I)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
35281,CO-ADD:0220030,5.08,n1(c(cc2)ccc2[N+](=O)[O-])c3c(c(cccc4)c14)cccc3,0.0
35282,CO-ADD:0220822,5.08,c(Nc1ccccc1)(nc(N\N=C\c(cc(I)cc2I)c2OC)nc3Nc(cc4)ccc4OC)n3,0.0
35283,CO-ADD:0220814,5.08,[N+](=O)([O-])c(cc1)cc(c1N(C)C2CCCCC2)\C=N\NC(COc3cccc(cccc4)c34)=O,0.0
35284,CO-ADD:0220754,5.08,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc(cc3)ccc3OC)=O,0.0
35285,CO-ADD:0220392,5.08,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNc(cc2)ccc2Cl)=O,0.0
35286,CO-ADD:0226506,5.08,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)NCc4cccc(OC)c4OC,0.0
35287,CO-ADD:0226402,5.08,N12C(C=CC(S(=O)(=O)C(C)(C)C)=N1)=NN(CC(=O)Nc(ccc(c34)OCO3)c4)C2=O,0.0
35288,CO-ADD:0226538,5.08,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)c4ccc(c(OC)c4)OC,0.0
35289,CO-ADD:0226570,5.08,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)c4ccc(cc4)F,0.0
35290,CO-ADD:0225669,5.08,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)N(CC4)CCN4c5ccc(cc5)F)=O,0.0
35291,CO-ADD:0226765,5.08,N1(c(cccc2)c2C(N3CCCOC(C)C)=O)C3=NN(CC(=O)Nc4ccccc4OC)C1=O,0.0
35292,CO-ADD:0226762,5.08,c12n(c(nn1)SCc(cccc3C(F)(F)F)c3)c(c4C(=O)N2Cc(cc5)ccc5CC)ccs4,0.0
35293,CO-ADD:0226436,5.08,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCC(=O)N(CC4)CCN4c5ccccc5F,0.0
35294,CO-ADD:0215602,5.08,[N+](=O)([O-])c1cccc(c1)NC(=O)C\C(\C)=N\NC(COc(cc2)ccc2OC)=O,0.0
35295,CO-ADD:0215605,5.08,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C\c(c(OC)ccc3[N+](=O)[O-])c3,0.0
35296,CO-ADD:0215613,5.08,C(=O)(N\N=C\c(cc(OCO1)c1c2)c2Br)C(=O)NC(C)C,0.0
35297,CO-ADD:0215478,5.08,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
35298,CO-ADD:0215526,5.08,c1(c2ccc(cc2)Cl)nc(sc1c3ccccc3)N\N=C\c4ccc(cc4OC)OC,0.0
35299,CO-ADD:0215534,5.08,n1c(c2ccc(cc2)I)csc1N\N=C\c(ccc(c3OC)O)c3,0.0
35300,CO-ADD:0166575,5.08,C(CNc(cc1)ccc1I)(NN)=O,0.0
35301,CO-ADD:0166313,5.08,C(=O)(N\N=C\c(cc1OC)cc(c1OC)OC)C(=O)Nc2ccccc2F,0.0
35302,CO-ADD:0229513,5.08,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3C(O)=O,0.0
35303,CO-ADD:0229359,5.08,c1(N\N=C\c2cc(Br)ccc2O)sc(c3n1)cccc3,0.0
35304,CO-ADD:0229341,5.08,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc(c2OC)O)c2)c3c(OC)ccc(Cl)c3,0.0
35305,CO-ADD:0229291,5.08,C(=O)(C(c1ccccc1)c2ccccc2)N(CC3)CCO3,0.0
35306,CO-ADD:0231303,5.08,N(/c1cccc(Cl)c1)=C\c(cc2)ccc2OCc3ccccc3,0.0
35307,CO-ADD:0236445,5.08,n1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]nc1c3ccccc3,0.0
35308,CO-ADD:0233721,5.08,c1(c(Cl)cnn1CC)C(=O)N(CC2)CCC2c(n[nH]c3C(F)(F)F)c3,0.0
35309,CO-ADD:0229004,5.08,C(=O)(CN(CC)c1ccccc1)N\N=C(/CCCC2)\C2,0.0
35310,CO-ADD:0229018,5.08,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2OCc3ccccc3,0.0
35311,CO-ADD:0227771,5.08,N1(c2sccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cccc4C(O)=O)c4,0.0
35312,CO-ADD:0234349,5.08,C(F)(F)(F)c(cc(C(C)(C)C)nc1N)n1,0.0
35313,CO-ADD:0231126,5.08,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1Br)C)=O)Nc2cccc(Cl)c2C,0.0
35314,CO-ADD:0236626,5.08,n1c(ccc(C#N)c1SCC(=O)c2ccc(c(OC)c2)OC)c3cccs3,0.0
35315,CO-ADD:0233000,5.08,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2)N(CC3C)CC(N3)C,0.0
35316,CO-ADD:0231127,5.07,[N+](=O)([O-])c(ccc(c1NC(=O)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O)C)c1,0.0
35317,CO-ADD:0236719,5.07,n1(nnc(C(OCC)=O)c1CN(CC2)CCN2C)c3nonc3N,0.0
35318,CO-ADD:0229059,5.07,N1(CCCC1=O)c2ccc(cc2)Br,0.0
35319,CO-ADD:0233759,5.07,N1(CCC[C@@H](C1)c(ccn2)o2)C(=O)[C@H]3CCCN3.Cl,0.0
35320,CO-ADD:0220004,5.07,C(=O)(NC1CCCCC1)C(=O)NC2CCCCC2,0.0
35321,CO-ADD:0220177,5.07,c1(Cl)cc(Cl)ccc1\C=N\NC(CCCCCCCCCCCCC)=O,0.0
35322,CO-ADD:0219054,5.07,C(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\c(cc3)ccc3Br,0.0
35323,CO-ADD:0221864,5.07,N(C(=O)\C(\S1)=C\c2cc(Br)ccc2O)=C1N(CC3)CCN3C4=NC(\C(=C\c5cc(Br)ccc5O)\S4)=O,0.0
35324,CO-ADD:0225885,5.07,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc(cccc4C(OC)=O)c4)C2=O,0.0
35325,CO-ADD:0225181,5.07,N12C(C=CC(C(=O)NCc3ccccc3)=C1)=NN(CC(=O)Nc(ccc(c45)OCO4)c5)C2=O,0.0
35326,CO-ADD:0220047,5.07,c(cc1OC(C)=O)(OC(=O)C=C2C)c2cc1OC(C)=O,0.0
35327,CO-ADD:0220951,5.07,n(Cc1ccccc1)(c2c(c3\C=N\NC(COc4ccc(cc4Br)C)=O)cccc2)c3C,0.0
35328,CO-ADD:0222383,5.07,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\NC(c3ccccc3)=O,0.0
35329,CO-ADD:0219826,5.07,C(=O)(c1ccccn1)OCC(=O)c2ccc(cc2)Br,0.0
35330,CO-ADD:0219711,5.07,N(=C(\C)/c(cc1)ccc1C(C)(C)C)/NC(=O)c2ccc(cc2)OCc(cc3)ccc3Br,0.0
35331,CO-ADD:0219490,5.07,C(=O)(N\N=C\c(cc1)ccc1Br)CN(C)c2ccccc2,0.0
35332,CO-ADD:0219395,5.07,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C\c2ccccc2OCc3ccccc3Cl,0.0
35333,CO-ADD:0219379,5.07,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc2cccc(Br)c2,0.0
35334,CO-ADD:0219105,5.07,N1(c2c(OC1=S)cccc2)C(=O)c(cc3)ccc3[N+](=O)[O-],0.0
35335,CO-ADD:0225930,5.07,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)N(CC4)CCN4c5ccc(cc5)F)C2=O,0.0
35336,CO-ADD:0225827,5.07,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)Nc(cc4)ccc4CCCC)=O,0.0
35337,CO-ADD:0226499,5.07,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCC(=O)c4c5c([nH]c4C)cccc5,0.0
35338,CO-ADD:0225347,5.07,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc(cc5)ccc5CC,0.0
35339,CO-ADD:0226799,5.07,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4c(C)cccc4C)c(nn1)C(C)C,0.0
35340,CO-ADD:0226444,5.07,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4ccc(cc4)OC,0.0
35341,CO-ADD:0226460,5.07,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)NCc4ccco4,0.0
35342,CO-ADD:0225924,5.07,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc(cc4)ccc4Cl)C2=O,0.0
35343,CO-ADD:0225259,5.07,N12C(C=CC(SC(C)C)=N1)=NN(CC(=O)Nc3cc(OC)cc(OC)c3)C2=O,0.0
35344,CO-ADD:0226611,5.07,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc(ccc(c45)OCCO4)c5,0.0
35345,CO-ADD:0215808,5.07,C(CC)(=O)Nc1cccc(Oc(cc2)ccc2Oc3cccc(c3)NC(CC)=O)c1,0.0
35346,CO-ADD:0215152,5.07,C1(C#N)(C#N)[C@H](c2ccccc2)[C@H](N3[C@]1([H])C=Cc(c34)cc(cc4)Cl)C(=O)c5ccc(cc5)C,0.0
35347,CO-ADD:0215472,5.07,C(Oc(cc1)ccc1C(=O)Nc2ccccc2F)(=S)Nc3cccc(Br)c3,0.0
35348,CO-ADD:0165837,5.06,CC(C)(C1)N=C2[C@@]13[C@@]([H])(CC(=O)C(C)=C3)Nc4c2non4,0.0
35349,CO-ADD:0166042,5.06,C(=O)(N\N=C\c(cc1)ccc1C#N)c2cccc(Br)c2,0.0
35350,CO-ADD:0227574,5.06,c(\C=N/NC(COc1cc(C)ccc1C(C)C)=O)(cc(I)cc2I)c2O,0.0
35351,CO-ADD:0227986,5.06,N(=C(/C)\c1ccc(cc1)OC)/NC(COc2ccc(cc2OC)Br)=O,0.0
35352,CO-ADD:0229927,5.06,N1(c2ccccc2)\C(=N/c3ccccc3)\S\C(=C\c4ccccc4)\C1=O,0.0
35353,CO-ADD:0227235,5.06,c(cc(I)cc1I)(\C=N\c2cc(CC)ccc2O)c1O,0.0
35354,CO-ADD:0227918,5.06,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Oc(cccc3N4C(=O)c5c(cccc5)C4=O)c3,0.0
35355,CO-ADD:0229506,5.06,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3O,0.0
35356,CO-ADD:0235969,5.06,S(c1ccccc1)(=O)(=O)c(cc2)ccc2c3nnc(c4ccccc4)o3,0.0
35357,CO-ADD:0234892,5.06,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2cccc(F)c2)=O)Br)OC(=O)c3cccc(Br)c3,0.0
35358,CO-ADD:0234129,5.06,N(c1ccccc1)Cc(cc2)ccc2OC,0.0
35359,CO-ADD:0233321,5.06,N1=C(c2ccccc2)CCC(=O)N1,0.0
35360,CO-ADD:0233471,5.06,n1c2c(oc1c3cccc(c3)\N=C\c4cc(Cl)ccc4O)cccc2C,0.0
35361,CO-ADD:0233375,5.06,N#Cc(cc1)ccc1Oc(cc2)ccc2C#N,0.0
35362,CO-ADD:0230934,5.06,S1(=O)(=O)c2c(C(NC(C)Cc3ccccc3)=N1)ccc(c2)[N+](=O)[O-],0.0
35363,CO-ADD:0231565,5.06,C(=C/c(cccc1[N+](=O)[O-])c1)(/C(=O)NN2c3ccc(c(C)c3)C)\C2=O,0.0
35364,CO-ADD:0231006,5.06,N(/c(cc1)ccc1OC)=C/c(cc2)ccc2OC(CCCCCCC(=O)Oc(cc3)ccc3\C=N/c(cc4)ccc4OC)=O,0.0
35365,CO-ADD:0229874,5.06,C1(C#N)(C#N)[C@H](c2ccccc2F)[C@@]([H])(C3)C(C(C#N)=C1N)=CCN3C,0.0
35366,CO-ADD:0231397,5.06,c1(N2CCCCCC2)nc(N\N=C/c3c(cccc3Cl)Cl)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
35367,CO-ADD:0229800,5.06,c1(c2ccc(cc2)NC(=O)C(F)(F)F)nc(c3ccccc3)cc(c(cc4)ccc4NC(=O)C(F)(F)F)n1,0.0
35368,CO-ADD:0227651,5.06,N(Cc1ccccc1)(C(=O)C(C23)C(C=C4)OC24CNS(=O)(=O)c5c(C)cc(cc5C)C)C3=O,0.0
35369,CO-ADD:0229012,5.06,C(=O)(c1ccc(cc1)N)Nc(cc2)ccc2C(OC)=O,0.0
35370,CO-ADD:0233532,5.06,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(c2)cc(cn2)Br)c3ccccc3Br,0.0
35371,CO-ADD:0233498,5.06,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(COc3ccc(cc3Cl)Cl)=O)Br,0.0
35372,CO-ADD:0234103,5.06,c12c(CCCC1=O)c3c(ccc(C(OCC)=O)c3)[nH]2,0.0
35373,CO-ADD:0226262,5.06,S(=O)(=O)(N(Cc1cccc(OC)c1)c2cccc(F)c2)c(ccc3n4c(CC)nn3)c4,0.0
35374,CO-ADD:0226338,5.06,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc4ccccc4C,0.0
35375,CO-ADD:0225883,5.06,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc4cccc(SC)c4)C2=O,0.0
35376,CO-ADD:0225179,5.06,N12C(C=CC(C(=O)Nc(cc3)ccc3OC)=C1)=NN(CC(=O)Nc4cccc(SC)c4)C2=O,0.0
35377,CO-ADD:0219217,5.06,C(=O)(c1ccc(cc1)Cl)Nc(cccc2C(=O)N\N=C\c3cccc(cccc4)c34)c2,0.0
35378,CO-ADD:0220568,5.06,C(CNc1ccccc1C)(=O)N\N=C\c(ccc(c2Br)OC)c2,0.0
35379,CO-ADD:0219473,5.06,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2C(C)C,0.0
35380,CO-ADD:0218947,5.06,C(C(c1ccc(cc1)C)Nc2cccc(Cl)c2)C(=O)c3ccc(cc3)Br,0.0
35381,CO-ADD:0218948,5.06,C(=O)(NC(C)CC)C\C(\C)=N\NC(=O)c1ccc(cc1)OC,0.0
35382,CO-ADD:0218934,5.06,C(=O)(N\N=C\c1cccc(Cl)c1)C(=O)Nc2c(C)ccc(Cl)c2,0.0
35383,CO-ADD:0220301,5.06,C(CNc1cccc(C)c1)(=O)N\N=C\c(ccc(c2Br)OC)c2,0.0
35384,CO-ADD:0219102,5.06,[N+](=O)([O-])c1ccc(cc1)OC(=O)C(NC(=O)OC(C)(C)C)CC(N)=O,0.0
35385,CO-ADD:0220236,5.06,c1(NCC(=O)N\N=C\C(\C)=C\c(cc2)ccc2C(C)C)c(Br)cc(cc1Br)Br,0.0
35386,CO-ADD:0219439,5.06,c1(C)c(cccc1NC(CCC(=O)N\N=C\c2ccccc2OC)=O)Cl,0.0
35387,CO-ADD:0218981,5.06,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(C)c2ccc(cc2)OC)c1,0.0
35388,CO-ADD:0220969,5.06,n(Cc1ccccc1)(c2c(c3\C=N\NC(=O)c4ccccn4)cccc2)c3C,0.0
35389,CO-ADD:0225935,5.05,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)N(CC4)CCN4c5ccc(cc5)F)C2=O,0.0
35390,CO-ADD:0226831,5.05,c12n(cnn1)c3c(cccc3)nc2SCC(=O)Nc(ccc(c45)OCO4)c5,0.0
35391,CO-ADD:0225952,5.05,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4c(cccc4Cl)F)C2=O,0.0
35392,CO-ADD:0225976,5.05,N12C(C=CC(c3ccc(cc3)C)=N1)=NN(Cc4onc(c5ccc(cc5)Cl)n4)C2=O,0.0
35393,CO-ADD:0226643,5.05,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4ccc(cc4F)Br,0.0
35394,CO-ADD:0226648,5.05,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4ccc(cc4F)F,0.0
35395,CO-ADD:0226680,5.05,C1(=NN(C2=O)Cc3cccc(C)c3)N2C=CN(c4cccc(Cl)c4C)C1=O,0.0
35396,CO-ADD:0226464,5.05,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)NCc(cc4)ccc4C,0.0
35397,CO-ADD:0166652,5.05,C(C#N)(C1c2ccc(cc2)OCc3ccccc3)=C(N)OC(CC(C)(C)CC4=O)=C14,0.0
35398,CO-ADD:0166172,5.05,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(COc3ccc(cc3Cl)Cl)=O)[N+](=O)[O-],0.0
35399,CO-ADD:0165863,5.05,[C@@H]1(C[C@@H]2S(=O)NC(C(F)(F)C(=O)OCCC)c(ccc([N+](=O)[O-])c3)c3)[C@@H](C1(C)C)C[C@H]2C,0.0
35400,CO-ADD:0166625,5.05,c1(csc(\C=N\NC(=O)c2ccccc2OCc3ccccc3)c1)[N+](=O)[O-],0.0
35401,CO-ADD:0166119,5.05,c1(O)c(OC)cc(cc1Br)\C=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
35402,CO-ADD:0166703,5.05,C1(C#N)(C#N)C(c2ccccc2C(F)(F)F)C(C3)C(C(C#N)=C1N)=CCN3C(C)=O,0.0
35403,CO-ADD:0166116,5.05,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c2cc(OC)ccc2O,0.0
35404,CO-ADD:0229521,5.05,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\Nc3ccccc3[N+](=O)[O-],0.0
35405,CO-ADD:0229602,5.05,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(N)c3)n1,0.0
35406,CO-ADD:0229592,5.05,N1(CCCc(cccc2)c12)C(=O)c(cc3OC)cc(c3OC)OC,0.0
35407,CO-ADD:0227180,5.05,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C/c(cc2)ccc2OC(=O)c3ccc(cc3)Br,0.0
35408,CO-ADD:0227187,5.05,c1(NCC(=O)N\N=C(/CC)\c2ccccc2)c(Br)cc(cc1Br)Br,0.0
35409,CO-ADD:0227223,5.05,C(CNc1cccc(Br)c1)(=O)N\N=C(\C)/CC,0.0
35410,CO-ADD:0233345,5.05,C(NCCc(ccc(c1OCCCC)OC)c1)(=O)C(c2ccccc2)c3ccccc3,0.0
35411,CO-ADD:0231599,5.05,N(\C(\C(O1)=O)=C/c2c(cccc2Cl)Cl)=C1c3cccc(C)c3,0.0
35412,CO-ADD:0234974,5.05,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c(cc4)ccc4Cl,0.0
35413,CO-ADD:0231644,5.05,c1([nH]c(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c4cc(I)ccc4O,0.0
35414,CO-ADD:0231601,5.05,c1(cc(Cl)cc(\C=N\c(ccc(c23)[nH]c(c4ccc(cc4)F)n2)c3)c1O)[N+](=O)[O-],0.0
35415,CO-ADD:0231598,5.05,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\c(cc3)ccc3N=Nc4ccccc4,0.0
35416,CO-ADD:0233557,5.05,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)NC(=O)c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4,0.0
35417,CO-ADD:0233291,5.05,c(C(O)=O)(cc1I)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
35418,CO-ADD:0231046,5.05,C(Oc(cc1)ccc1C(=O)Nc2ccccc2C)(=S)Nc(cc3)ccc3Br,0.0
35419,CO-ADD:0231038,5.05,C(=O)(C\C(\C)=N\NC(COc1ccccc1C)=O)Nc2ccccc2c3ccccc3,0.0
35420,CO-ADD:0236819,5.05,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c5ccc(cc5)Cl,0.0
35421,CO-ADD:0233227,5.05,c(c(N)[nH]n1)c1c2ccc(cc2)N,0.0
35422,CO-ADD:0229708,5.05,c1(NCC(=O)N\N=C/c2ccccc2)c(Br)cc(cc1Br)Cl,0.0
35423,CO-ADD:0229619,5.05,c(C(=O)c1ccc(cc1)C)(c(N)c(c23)ccc(c4ccccc4)n2)s3,0.0
35424,CO-ADD:0229600,5.04,c12c(c(nn1c3ccccc3)C)cc(C(=O)Nc(cc4)ccc4C)s2,0.0
35425,CO-ADD:0231700,5.04,c1(C(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])nn(c(c3ccccc3)n1)c4ccccc4,0.0
35426,CO-ADD:0227362,5.04,C(F)(F)(C(F)(F)C(F)F)C(F)(F)C(=O)NC(CO)C(O)=O,0.0
35427,CO-ADD:0231191,5.04,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)NCC(N)=O,0.0
35428,CO-ADD:0225864,5.04,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)NCc(cc4)ccc4OC)=O,0.0
35429,CO-ADD:0226328,5.04,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(=O)Nc(cc4)ccc4Cl,0.0
35430,CO-ADD:0226337,5.04,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc(cc4)ccc4C,0.0
35431,CO-ADD:0225850,5.04,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)N(CC4)CCN4c5ccc(cc5)F)=O,0.0
35432,CO-ADD:0225230,5.04,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc(ccc(c4C)C)c4)C2=O,0.0
35433,CO-ADD:0222602,5.04,C(=O)(Nc(cc1)ccc1Cl)C\C(\C)=N\NC(COc(cc2)ccc2OC)=O,0.0
35434,CO-ADD:0222783,5.04,C12c(cccc3)c3C(C(C(C=CC4=O)=O)C14)c5c2cccc5,0.0
35435,CO-ADD:0220782,5.04,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(CNc(cc2)ccc2C)=O)c1,0.0
35436,CO-ADD:0220432,5.04,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3ccccc3OC)=O,0.0
35437,CO-ADD:0222153,5.04,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N\NC(CNc(ccc(c34)cccc3)c4)=O)Br,0.0
35438,CO-ADD:0220513,5.04,[N+](=O)([O-])c(cc1)cc(c1N(C)C2CCCCC2)\C=N\NC(COc3ccccc3)=O,0.0
35439,CO-ADD:0219321,5.04,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCC(OCCC)=O)c3ccccc3,0.0
35440,CO-ADD:0220050,5.04,N(/c(cc1)ccc1c2ccc(cc2)\N=C\c(ccc(c3OC)OCCCCCC)c3)=C\c(ccc(c4OC)OCCCCCC)c4,0.0
35441,CO-ADD:0222739,5.04,C(COc1ccc(cc1C)C)(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
35442,CO-ADD:0220646,5.04,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)OC)c1,0.0
35443,CO-ADD:0219990,5.04,N1(CNc2cccc(C)c2)C(=O)CCC1=O,0.0
35444,CO-ADD:0218105,5.04,C(CN(CN1C2)CN23)(C3)(C1)C(=O)c4ccc(cc4)CC,0.0
35445,CO-ADD:0218670,5.04,N(c1ccccc1Br)C(CCC(=O)N\N=C\c2ccccc2O)=O,0.0
35446,CO-ADD:0226675,5.04,C1(=NN(C2=O)Cc3ccccc3C)N2C=CN(c4cccc(Cl)c4C)C1=O,0.0
35447,CO-ADD:0226427,5.04,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCc(cc4)ccc4C,0.0
35448,CO-ADD:0226435,5.04,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCC(=O)Nc(ccc(c45)OCO4)c5,0.0
35449,CO-ADD:0226699,5.04,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc4ccccc4Cl,0.0
35450,CO-ADD:0226747,5.04,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(Cc5cccc(Br)c5)C1=O,0.0
35451,CO-ADD:0166769,5.04,N1(CC(O)=O)C(=O)c2c(c(ccc3[N+](=O)[O-])C1=O)c3ccc2,0.0
35452,CO-ADD:0166014,5.04,c(c(Br)c(C)cc1OCC(=O)N\N=C(/C)\CC(NCCc2ccccc2)=O)c1Br,0.0
35453,CO-ADD:0166319,5.04,C(=O)(C(=O)NCC1CCCO1)Nc2cccc(Cl)c2Cl,0.0
35454,CO-ADD:0166245,5.04,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc(ccc(c2C(F)(F)F)Cl)c2,0.0
35455,CO-ADD:0166422,5.04,N1(c2cccc(C)c2C)C(=O)c3c(cc(cc3)Oc(ccc(c4C5=O)C(N5c6cccc(C)c6C)=O)c4)C1=O,0.0
35456,CO-ADD:0166724,5.04,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c3ccccc3,0.0
35457,CO-ADD:0166679,5.04,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(CSc3nc(C)c(c(C)c3C#N)C)OC(N)=C1C#N,0.0
35458,CO-ADD:0166194,5.04,N(=C(/C)\c(cc1)ccc1C(C)C)/NC(CNc2cccc(C)c2)=O,0.0
35459,CO-ADD:0166539,5.04,C(=O)(N\N=C\c(cc1)ccc1C#N)c2cccc(Cl)c2,0.0
35460,CO-ADD:0166657,5.04,C(C#N)(C1c2ccc(cc2)OCC=C)=C(N)OC(C)=C1C(C)=O,0.0
35461,CO-ADD:0227903,5.04,N1(C(=O)c2ccc(cc2)Cl)C(C)(O)CC(C(OC)=O)=N1,0.0
35462,CO-ADD:0227624,5.04,c1(c2cccc(c2)\N=C/c3cccc(F)c3O)oc4c(ccc(C)c4)n1,0.0
35463,CO-ADD:0227834,5.04,N1(C(C)=O)C(c2ccc(cc2)OC(C)=O)C(C(OCC)=O)=C(NC1=S)C,0.0
35464,CO-ADD:0229731,5.04,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N/NC(COc(cc3)ccc3C)=O)Br,0.0
35465,CO-ADD:0227914,5.04,n12c(nc(cc1C(F)(F)F)c3cccs3)cc(C(NCCN(CC4)CCO4)=O)n2,0.0
35466,CO-ADD:0227613,5.04,c1(c2ccc(cc2)\N=C\c3cccc(F)c3O)sc(c4n1)cccc4,0.0
35467,CO-ADD:0236374,5.04,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2CC)NCCOc(cc3)ccc3Cl,0.0
35468,CO-ADD:0233165,5.04,N1(C2CCCCC2)C(=O)NC(=C3C1=O)CCC3,0.0
35469,CO-ADD:0236303,5.04,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
35470,CO-ADD:0233440,5.04,c(cc(Br)cc1Cl)(\C=N\c(ccc(c2Cl)OC)c2)c1O,0.0
35471,CO-ADD:0234728,5.04,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
35472,CO-ADD:0234721,5.03,c1(O)c(C)c(O)cc(C)c1\C=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
35473,CO-ADD:0233462,5.03,c1(N(CC2)CCO2)nc(N\N=C/c3c(cccc3Cl)Cl)nc(Nc(ccc(c45)cccc4)c5)n1,0.0
35474,CO-ADD:0234249,5.03,N(/NC(CNC(=O)c1ccc(cc1)Cl)=O)=C(/Cc2ccccc2)\c(cc3)ccc3c4ccccc4,0.0
35475,CO-ADD:0236147,5.03,C(C#N)(C(c(cccn1)c1)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
35476,CO-ADD:0236512,5.03,c1(sccc1C)\C=N\c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c4sccc4C,0.0
35477,CO-ADD:0231610,5.03,[N+](=O)([O-])c1cc2c(cc1\C=N\c(ccc(c3Cl)Cl)c3)OCO2,0.0
35478,CO-ADD:0234099,5.03,C(=C/c(ccc1N(CC2)CCO2)o1)(/C(=O)NC(N3)=S)\C3=O,0.0
35479,CO-ADD:0229405,5.03,c(c(OC)c1)(cc(c1C(c2ccccc2)=O)OC)C(=O)Nc3ccccc3OC,0.0
35480,CO-ADD:0227941,5.03,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c(ccc(c4Br)OC)c4,0.0
35481,CO-ADD:0231822,5.03,C(=O)(c1ccc(cc1)Br)Oc2cc(ccc2OC(=O)c3ccc(cc3)Br)\C=N\NC(COc4ccc(cc4Br)C)=O,0.0
35482,CO-ADD:0229188,5.03,c1(OC(N)=C(C2c(cccc3[N+](=O)[O-])c3)C#N)c2c(n[nH]1)C,0.0
35483,CO-ADD:0227714,5.03,C(=S)(Oc(cc1)ccc1C(=O)Nc2cccc(Br)c2)N(CC3)CCO3,0.0
35484,CO-ADD:0226170,5.03,S(=O)(=O)(N(Cc1cccc(Cl)c1)c2ccc(cc2)CC)c3cccn(c(nn4)C)c34,0.0
35485,CO-ADD:0226907,5.03,n(c1c(cccc1)nc2SCC(=O)Nc(cc3)ccc3C(OCC)=O)(c(C(C)C)nn4)c24,0.0
35486,CO-ADD:0221648,5.03,C(NCCCCCCNC(=O)OC1CCCCC1OC(C)C)(=O)OC2CCCCC2OC(C)C,0.0
35487,CO-ADD:0221439,5.03,S(=O)(=O)(N(CC1)CCO1)c2c(OC)ccc(c2)C(=O)Nc3cccc(O)c3,0.0
35488,CO-ADD:0221072,5.03,c1(\C=N\NC(COc2ccc(cc2OC)Br)=O)c3c([nH]c1C)cccc3,0.0
35489,CO-ADD:0222661,5.03,N1(c2cccc(Cl)c2)C(=O)C3C(C(C=C4)C(C5)C5C34)C1=O,0.0
35490,CO-ADD:0220670,5.03,c1(N(CC2)CCO2)nc(N\N=C/c3c(O)ccc(cccc4)c34)nc(Nc(cccc5[N+](=O)[O-])c5)n1,0.0
35491,CO-ADD:0219977,5.03,[N+](=O)([O-])c(cccc1C(=O)Oc(cc2)ccc2Br)c1,0.0
35492,CO-ADD:0219216,5.03,c1(\C=N\NC(=O)C(C)(C)Oc(cc2)ccc2CCC)c(cccc1Cl)Cl,0.0
35493,CO-ADD:0220106,5.03,c(cc(C(=O)c(c1)cc(c(Cl)c1[N+](=O)[O-])[N+](=O)[O-])cc2[N+](=O)[O-])([N+](=O)[O-])c2Cl,0.0
35494,CO-ADD:0219240,5.03,C(=O)(N\N=C\c(cc1)ccc1OCCCCC)c2ccc(cc2)OCCCCCCC,0.0
35495,CO-ADD:0220048,5.03,[N+](=O)([O-])c1ccc(c(Cl)c1)NC(c2ccccc2)=O,0.0
35496,CO-ADD:0220242,5.03,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(ccc(c2Cl)OC)c2)c1,0.0
35498,CO-ADD:0220351,5.03,c1([nH]c(c2n1)cccc2)c3cc(ccc3O)\N=C/c(cc(Br)cc4Br)c4O,0.0
35499,CO-ADD:0220295,5.03,C(CNc1cccc(C)c1)(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
35500,CO-ADD:0219810,5.03,c(C#N)(c(cccc1)c1n2C)c2CBr,0.0
35501,CO-ADD:0221000,5.03,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2Br,0.0
35502,CO-ADD:0221203,5.03,n1c2c(cccc2)ccc1SCC(=O)N\N=C\c3cccc(cccc4)c34,0.0
35503,CO-ADD:0219146,5.03,N(=C(/C)\c1ccc(cc1)OCc(cc2)ccc2Cl)/NC(OCC)=O,0.0
35504,CO-ADD:0219365,5.03,N(=C(/C)\c1ccc(cc1)OCc(cc2)ccc2Cl)/NC(=O)c3ccc(cc3)Br,0.0
35505,CO-ADD:0219348,5.03,c1(\C=N\NC(CCC(=O)Nc2cccc(Cl)c2)=O)c(O)ccc(cccc3)c13,0.0
35506,CO-ADD:0218207,5.03,C1(C(=O)NCc2ccccc2)=Cc3c(OC1=O)cccc3,0.0
35507,CO-ADD:0218530,5.03,c1(cccs1)C(CCNc2cccc(Cl)c2)=O,0.0
35508,CO-ADD:0218578,5.03,C(c1ccccc1)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
35509,CO-ADD:0218602,5.03,c1(ccccc1Cl)C(=O)N\N=C\c2cccc(Cl)c2,0.0
35510,CO-ADD:0218674,5.03,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2F,0.0
35511,CO-ADD:0218682,5.03,C(=O)(C\C(\C)=N\NC(C1CCCCC1)=O)Nc2cccc(Cl)c2C,0.0
35512,CO-ADD:0226755,5.03,c12n(ccn(nc(c3ccc(cc3)C)c4)c14)c(nn2)SCC(=O)NCc5cccc(OC)c5,0.0
35513,CO-ADD:0225707,5.03,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)NCc(cc4)ccc4OC)=O,0.0
35514,CO-ADD:0225723,5.03,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc(cc4)ccc4C(C)C)=O,0.0
35515,CO-ADD:0225309,5.03,N(C=Nc1c2c3c(s1)CCCCC3)(C4=O)C2=NN4CC(=O)Nc5cccc(Cl)c5C,0.0
35516,CO-ADD:0166033,5.03,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
35517,CO-ADD:0166477,5.03,N(c1c(C)cccc1C)C(=O)C(NCCc2ccccc2Cl)=O,0.0
35518,CO-ADD:0166076,5.03,c1(OC)c(OC)cc(cc1OC)\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
35519,CO-ADD:0166321,5.03,C(=O)(N\N=C\c(cc1OC)cc(c1OC)OC)C(=O)Nc2c(CC)cccc2CC,0.0
35520,CO-ADD:0166289,5.03,[N+](=O)([O-])c1ccc(cc1N\N=C\c(ccc(c2OCC)O)c2)Cl,0.0
35521,CO-ADD:0227345,5.03,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3\C=N\NC(CNc4cccc(cccc5)c45)=O,0.0
35522,CO-ADD:0227281,5.03,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2cccc(cccc3)c23)=O)O)c1,0.0
35523,CO-ADD:0227540,5.03,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(COc3cc(C)ccc3C(C)C)=O,0.0
35524,CO-ADD:0227434,5.03,c1(NCC(=O)N\N=C\c(cccc2Oc3ccccc3)c2)c(Br)cc(cc1Br)Br,0.0
35525,CO-ADD:0231671,5.03,c1(OCC(=O)N\N=C\c(cc2)ccc2O)c(OC)cc(cc1Br)Br,0.0
35526,CO-ADD:0227413,5.03,c1(\C=N\NC(CNc2cccc(cccc3)c23)=O)cc(Br)ccc1OC,0.0
35527,CO-ADD:0234986,5.02,C(=O)(Oc1cccc(c1)\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c3ccccc3Cl,0.0
35528,CO-ADD:0234997,5.02,C(=O)(Oc1cccc(c1)\C=N\NC(COc(ccc(c2C)C)c2)=O)c3cccc(F)c3,0.0
35529,CO-ADD:0234453,5.02,n1(CC)c2c(c(cc(cc3)\C=N\c(ccc(c4Br)C)c4)c13)cccc2,0.0
35530,CO-ADD:0233527,5.02,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(=O)\C(=C/c(ccc(c34)OCO3)c4)\NC(c5ccccc5)=O)Br,0.0
35531,CO-ADD:0234756,5.02,C(c1ccccc1)(=O)OC2CCCCC2S(CCCC)=O,0.0
35532,CO-ADD:0234743,5.02,c1(c(Br)cc(cc1\C=N\NC(CNc2ccccc2C)=O)Br)OC(=O)c(ccc(c34)OCO3)c4,0.0
35533,CO-ADD:0234109,5.02,o(c(N)nn1)c1c2ccccc2,0.0
35534,CO-ADD:0236346,5.02,c1(C#N)c(SCC(N)=O)nsc1SCc2ccccc2Cl,0.0
35535,CO-ADD:0236837,5.02,c1(OCC(=O)Nc2ccc(cc2Cl)Cl)c(C)cc(cc1C)C,0.0
35536,CO-ADD:0236108,5.02,C(=O)(OC(C)(C)C)N1CCCC1C(=O)Nc(cc2)ccc2I,0.0
35537,CO-ADD:0234958,5.02,c1(OCC(=O)N\N=C\c2c3c(cccc3)cc(cccc4)c24)c(Br)cc(cc1Br)OC,0.0
35538,CO-ADD:0236062,5.02,c1(\C=N\c(cc2)ccc2N(C)C(C)=O)c3c([nH]c1C)cccc3,0.0
35539,CO-ADD:0227379,5.02,[N+](=O)([O-])c1ccc(cc1\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)O,0.0
35540,CO-ADD:0231851,5.02,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(ccc(c4Cl)OC)c4,0.0
35541,CO-ADD:0227801,5.02,c1(O)c(cc(cc1C(C)(C)C)CCC(NCCN)=O)C(C)(C)C,0.0
35542,CO-ADD:0227757,5.02,C(OCC)(CNc(cc1)ccc1I)=O.Cl,0.0
35543,CO-ADD:0227737,5.02,C1(SCC(=O)N1c2ccc(cc2)Cl)c3ccc(cc3Cl)Cl,0.0
35544,CO-ADD:0229872,5.02,C(C#N)([C@H](c1ccc(cc1)F)[C@@H]([n+]2ccccc2)[C@@](N3)(C)O)=C3[C-](C#N)C#N,0.0
35545,CO-ADD:0219073,5.02,N1(c2ccccc2)C(c3ccccc3Cl)CC(c4ccc(cc4)Br)=N1,0.0
35546,CO-ADD:0221468,5.02,C(=O)(N\N=C\c(cc1)ccc1N(CC)CC)c2ccc(cc2)OC,0.0
35547,CO-ADD:0222318,5.02,n1c2c(oc1c3ccc(cc3)I)ccc(c2)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
35548,CO-ADD:0222365,5.02,c1(oc(c2n1)cccc2)c3ccc(cc3O)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
35549,CO-ADD:0221554,5.02,N1(c2ccc(cn2)Br)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
35550,CO-ADD:0220391,5.02,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
35551,CO-ADD:0222059,5.02,C1(C(=O)OCC(CC)CC)=C(C)NC(NC1c2cccc(F)c2)=O,0.0
35552,CO-ADD:0222537,5.02,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2ccccc2O,0.0
35553,CO-ADD:0222002,5.02,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cccc2NC(=O)c3cccc(OC)c3)c2,0.0
35554,CO-ADD:0221965,5.02,C(=C/c(cc1)ccc1O)(/c2c3ccc(C(C)=O)c2)\c4c3ccc(C(C)=O)c4,0.0
35555,CO-ADD:0222645,5.02,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc2ccc(cc2F)F,0.0
35556,CO-ADD:0220950,5.02,C(=N/NC(=O)c1ccccc1Br)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
35557,CO-ADD:0220997,5.02,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2OC(COc3ccc(cc3Cl)Cl)=O,0.0
35558,CO-ADD:0222392,5.02,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c(cc2)ccc2Cl,0.0
35559,CO-ADD:0221902,5.02,N1(c2ccc(cc2)O)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
35560,CO-ADD:0220425,5.02,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O,0.0
35561,CO-ADD:0219670,5.02,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N\N=C\c3ccccc3OCCCCCCC,0.0
35562,CO-ADD:0219741,5.02,N1(c2ccc(cc2)Oc(cc3)ccc3N4C(=O)c(c5C4=O)ccc(c5)C(=O)Nc(cccc6[N+](=O)[O-])c6)C(=O)c(c7C1=O)ccc(c7)C(=O)Nc(cccc8[N+](=O)[O-])c8,0.0
35563,CO-ADD:0218625,5.02,C(=O)(Nc(cc1)ccc1C)\C=C\c(cc2)ccc2Br,0.0
35564,CO-ADD:0218205,5.02,c1(cc(Br)ccc1O)C(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
35565,CO-ADD:0218701,5.02,C(=O)(NC(C)C(OCC)=O)c1ccccc1C(O)=O,0.0
35566,CO-ADD:0218534,5.02,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCC(=O)Nc(cc2)ccc2CC)=O,0.0
35567,CO-ADD:0218190,5.02,C(c1ccccc1)(=O)C(c2ccccc2)OC(C)=O,0.0
35568,CO-ADD:0218222,5.02,C1(c2ccc(cc2)Br)N(c3ccc(cc3)C)CCN1c4ccc(cc4)C,0.0
35569,CO-ADD:0226653,5.02,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4Cl,0.0
35570,CO-ADD:0225321,5.02,c12n(c3c(cccc3)nc1N4CCCCC4)c(nn2)CCC(=O)NCc5ccccc5Cl,0.0
35571,CO-ADD:0226473,5.02,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc4cccc(CC)c4,0.0
35572,CO-ADD:0226601,5.02,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc4cccc(Cl)c4,0.0
35573,CO-ADD:0225273,5.01,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc3cccc(SC)c3)C2=O,0.0
35574,CO-ADD:0227797,5.01,C12=C(c3c(cccc3)CC14CCCCC4)N=C(N(C)C2=O)SCC,0.0
35575,CO-ADD:0227351,5.01,c1(ccc(\C=N\NC(CNc2cccc(cccc3)c23)=O)o1)[N+](=O)[O-],0.0
35576,CO-ADD:0229227,5.01,c1(Sc2ccc(\C=N\NC(=O)c3cccc(Br)c3)o2)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
35577,CO-ADD:0227135,5.01,C(=O)(N\N=C\c(cc1)ccc1C(C)C)C(NCCOC)=O,0.0
35578,CO-ADD:0231747,5.01,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
35579,CO-ADD:0227374,5.01,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O,0.0
35580,CO-ADD:0233744,5.01,C(=O)(N(CC1)CCC1(C)c(ccn2)o2)[C@H](NC(C)=O)CC(N)=O,0.0
35581,CO-ADD:0229780,5.01,S1(=O)(=O)c(cccc2)c2C(NCCCN(CC3)CCO3)=N1,0.0
35582,CO-ADD:0229035,5.01,C(=O)(c1ccc(cc1)Cl)NCc2ccccc2,0.0
35583,CO-ADD:0227814,5.01,N1(c2cccc(Br)c2)N=C(\C(=C\c(cc3)ccc3Cl)\C1=O)C,0.0
35584,CO-ADD:0234742,5.01,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(CNc(cc3)ccc3C)=O,0.0
35585,CO-ADD:0236455,5.01,S(N)(=O)(=O)c1ccc(cc1)NC(COC(=O)\C=C\c(cc2)ccc2[N+](=O)[O-])=O,0.0
35586,CO-ADD:0234229,5.01,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cccc4OC(=O)c5ccccc5Br)c4,0.0
35587,CO-ADD:0234155,5.01,c(\C=N\NC(=O)c(ccc(c12)OCCO1)c2)(cc(OCO3)c3c4)c4Br,0.0
35588,CO-ADD:0234144,5.01,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3OC(=O)c4ccccc4Cl,0.0
35589,CO-ADD:0236128,5.01,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3c4ccccc4)C1=O,0.0
35590,CO-ADD:0234633,5.01,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c3ccccc3I,0.0
35592,CO-ADD:0227981,5.01,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(COc3ccc(cc3OC)Br)=O,0.0
35593,CO-ADD:0229651,5.01,c1(\C=N\NC(COc2cccc(Cl)c2)=O)cc(Br)ccc1OCC,0.0
35594,CO-ADD:0229845,5.01,N1(c2ccccn2)C(=O)c(c3C1=O)cc(c4c3c5ccccc5)cccc4,0.0
35595,CO-ADD:0227480,5.01,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5ccccc5Cl)OC,0.0
35596,CO-ADD:0227756,5.01,c1(ccccc1NC(CNc(ccc(c23)cccc2)c3)=O)C(O)=O,0.0
35597,CO-ADD:0227472,5.01,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5ccc(cc5)Br)OC,0.0
35598,CO-ADD:0221285,5.01,c1(C(OCC)=O)c2c(sc1NC(c3ccccc3)=O)COC(C)(C)C2,0.0
35599,CO-ADD:0221696,5.01,N1(CNc(cc2)ccc2c3ccccc3)C(=O)\C(\SC1=S)=C/c4ccc(cc4Cl)Cl,0.0
35600,CO-ADD:0221707,5.01,C(CC(C1)CC1)(NCCCCCCCCCCCCCCCCCC)=O,0.0
35601,CO-ADD:0221045,5.01,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
35602,CO-ADD:0218985,5.01,c1(ccc(cc1Cl)Cl)\C=N\c(cc2)ccc2Cc(cc3)ccc3\N=C\c4ccc(cc4Cl)Cl,0.0
35603,CO-ADD:0222397,5.01,n1c2c([nH]c1c3ccc(cc3)F)ccc(c2)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])Br,0.0
35604,CO-ADD:0222796,5.01,C(=O)(c1ccc(cc1)Cl)N\N=C(/Cc(cc2)ccc2Cl)\Cc(cc3)ccc3Cl,0.0
35605,CO-ADD:0219343,5.01,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)C(=O)Nc2ccccc2OC(F)(F)C(F)F,0.0
35606,CO-ADD:0221893,5.01,N(c1c(C)cccc1C)C(=O)C(=O)NCC(CCCC)CC,0.0
35607,CO-ADD:0221885,5.01,C12(\C=N\c3cccc(cccc4)c34)c5c(cccc5)C(C(C1C6=O)C(N6c7ccccc7)=O)c(cccc8)c28,0.0
35608,CO-ADD:0222111,5.01,S(NCCc(cc1)ccc1Cl)(c2ccccc2)(=O)=O,0.0
35609,CO-ADD:0220790,5.01,c1(ccc(\C=N/NC(CNc2ccccc2C)=O)o1)c3cc(Cl)ccc3Cl,0.0
35610,CO-ADD:0220699,5.01,c1(N(CC2)CCO2)nc(N\N=C\c(cc(I)cc3I)c3OC)nc(Nc(cc4)ccc4C)n1,0.0
35611,CO-ADD:0219791,5.01,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCCc(cc2)ccc2OC)=O,0.0
35612,CO-ADD:0220837,5.01,c(C#N)(c1C)c(N)sc1C(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccc(cc3)OC,0.0
35613,CO-ADD:0219152,5.01,C(=O)(N\N=C\c(cc1)ccc1Br)C(=O)Nc2cccc(F)c2,0.0
35614,CO-ADD:0219522,5.01,C(=O)(NC(C)C)CC(=O)N\N=C\c(ccc(c1OCC)OCCC)c1,0.0
35615,CO-ADD:0219087,5.01,C(CCCC(OC\C=C\c1ccccc1)=O)(=O)Nc2ccccc2,0.0
35616,CO-ADD:0222564,5.01,C(=O)(c1ccc(cc1)Oc2ccccc2)Nc3ccc(cn3)Br,0.0
35617,CO-ADD:0222820,5.01,C(=O)(C(NCCC(C)C)=O)Nc1cc(C)ccc1C,0.0
35618,CO-ADD:0219349,5.01,C(=O)(N\N=C\c(ccc(c1OCC)OCCC)c1)C(NCC=C)=O,0.0
35619,CO-ADD:0218630,5.0,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(ccc(c3OCC)OCc4ccccc4)c3,0.0
35620,CO-ADD:0218654,5.0,C(=O)(c1cccc(O)c1)N\N=C(/C)\CC(=O)Nc(cc2)ccc2F,0.0
35621,CO-ADD:0218086,5.0,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(COc3c(Br)cc(cc3Br)OC)=O)o2,0.0
35622,CO-ADD:0218238,5.0,c1(cc(OC)cc(\C=N\c(cc2)ccc2c3ccc(cc3)\N=C\c(cc(OC)cc4[N+](=O)[O-])c4O)c1O)[N+](=O)[O-],0.0
35623,CO-ADD:0218563,5.0,C(F)(F)(C(C([H])([H])F)(F)F)C(F)(F)C([H])(F)OC(NCCCCNC(=O)OC([H])(F)C(F)(F)C(F)(F)C(C([H])([H])F)(F)F)=O,0.0
35624,CO-ADD:0227021,5.0,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc4cccc(C)c4)c2,0.0
35625,CO-ADD:0226213,5.0,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(cc2)C)c(ccc3n4c(C)nn3)c4,0.0
35626,CO-ADD:0226981,5.0,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(CC(NCCC)=O)C1=O,0.0
35627,CO-ADD:0226606,5.0,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc4cc(OC)cc(OC)c4,0.0
35628,CO-ADD:0215339,5.0,C(C(OCCOC)=O)(C1c2ccccc2F)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
35629,CO-ADD:0215107,5.0,C(=C/Nc(cccc1[N+](=O)[O-])c1)(/C2=O)\C(=O)NC(=S)N2,0.0
35630,CO-ADD:0229207,5.0,C(NCCCN1CCCCC1)(=O)Nc2cccc(Cl)c2,0.0
35631,CO-ADD:0227359,5.0,C(CNc1cccc(Br)c1)(=O)N\N=C(/C)\CCc2ccco2,0.0
35632,CO-ADD:0227859,5.0,C(=O)(CN1CCCCC1)Nc2cccc(Cl)c2,0.0
35633,CO-ADD:0227867,5.0,c1(\N=C\c(cc2)ccc2Br)n(c3ccccc3)nc(c4ccccc4)c1c5ccccc5,0.0
35634,CO-ADD:0227107,5.0,C1(C#N)(C#N)C(c2ccccc2C(F)(F)F)C(C3)C(C(C#N)=C1N)=CCN3CC,0.0
35635,CO-ADD:0227118,5.0,c1(nn(cn1)CC(NCCc2ccccc2)=O)[N+](=O)[O-],0.0
35636,CO-ADD:0235984,5.0,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(Br)s4,0.0
35637,CO-ADD:0233510,5.0,N(=C1c(cc2)ccc2C(C)(C)C)\C(\C(O1)=O)=C/c3c(cccc3Cl)Cl,0.0
35638,CO-ADD:0234429,5.0,C1(OCCO1)(c2c(N3CCC(c4ccccc4)=O)cccc2)C3=O,0.0
35639,CO-ADD:0233520,5.0,c1(c(C)cccc1C)OCC(=O)N\N=C\C=C\c2ccco2,0.0
35640,CO-ADD:0236919,5.0,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
35641,CO-ADD:0236357,5.0,n12c(ccc(N\N=C\c3ccc(cc3OC)OC)n1)nnc2C(F)(F)F,0.0
35642,CO-ADD:0234647,5.0,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
35643,CO-ADD:0233565,5.0,c1(c(Br)cc(cc1\C=N\NC(COc2ccc(cc2Br)Cl)=O)Br)OC(=O)c3cccc(Br)c3,0.0
35644,CO-ADD:0233668,5.0,N1(CCCCC1)CCC(OC)=O.Cl,0.0
35645,CO-ADD:0227639,5.0,n1c(c2ccc(cc2)I)csc1N\N=C\c3ccc(cc3Cl)Cl,0.0
35646,CO-ADD:0227966,5.0,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNc2cccc(cccc3)c23)=O,0.0
35647,CO-ADD:0231814,5.0,C(=O)(c1ccc(cc1)Br)Oc2cc(ccc2OC(=O)c3ccc(cc3)Br)\C=N\NC(=O)c(cccn4)c4,0.0
35648,CO-ADD:0229628,5.0,c1(cc(n2c3ccc(cc3)Cl)c4ccccc4)c2CC(C)(C)CC1=O,0.0
35649,CO-ADD:0229141,5.0,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c(cc2)ccc2F)c3ccccc3Cl,0.0
35650,CO-ADD:0227822,5.0,[N+](=O)([O-])c1c(Cl)ccc(c1)c2ccc(\C=N\Nc3ccccc3)o2,0.0
35651,CO-ADD:0227767,5.0,C1(=O)N(C)C(C(=O)N1c2ccccc2)=O,0.0
35652,CO-ADD:0225908,5.0,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc(cc4)ccc4C)C2=O,0.0
35653,CO-ADD:0225188,5.0,N1(C(C=CC(C(=O)NCc2ccccc2)=C1)=NN3CC(=O)N(CC4)CCN4c5ccccc5)C3=O,0.0
35654,CO-ADD:0226356,5.0,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)NCc4ccco4,0.0
35655,CO-ADD:0226388,4.99,N12C(C=CC(S(C3CCCCC3)(=O)=O)=N1)=NN(CC(=O)Nc(cc4)ccc4C(OC)=O)C2=O,0.0
35656,CO-ADD:0226221,4.99,S(=O)(=O)(N(Cc(ccc(c1F)OC)c1)c2ccc(cc2)OC)c(ccc(n3c4)nn4)c3,0.0
35657,CO-ADD:0222356,4.99,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(ccc(c2C(O)=O)O)c2,0.0
35658,CO-ADD:0222568,4.99,N(C(CCC(O)=O)=O)c1ccc(cc1C)Br,0.0
35659,CO-ADD:0222830,4.99,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)N\N=C\c4cccc(Br)c4,0.0
35660,CO-ADD:0220671,4.99,N1(CNc2ccccc2C)C(=O)\C(\SC1=O)=C\c3cccc(Cl)c3,0.0
35661,CO-ADD:0220557,4.99,c1(OCC(=O)N\N=C\c2cc(Br)ccc2OC(c3ccccc3)=O)c(Br)cc(cc1Br)Br,0.0
35662,CO-ADD:0219576,4.99,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2C,0.0
35663,CO-ADD:0219774,4.99,S(c1ccccc1)(=O)(=O)N(c2ccccc2C)CC(=O)N\N=C(/C)\c3cccc(c3)NC(C)=O,0.0
35664,CO-ADD:0220689,4.99,c1(N(CC2)CCO2)nc(N\N=C(/C)\c3ccc(cc3)Br)nc(Nc(cc4)ccc4C)n1,0.0
35665,CO-ADD:0219584,4.99,C(COc1cccc(C)c1)(=O)N\N=C\c(ccc(c2Br)OC)c2,0.0
35666,CO-ADD:0222792,4.99,c1(\C=N\NC(CNc(cc2)ccc2C)=O)cc(Cl)ccc1OC,0.0
35667,CO-ADD:0226058,4.99,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4C)C(N2CC(=O)NCc(cc5)ccc5Cl)=O,0.0
35668,CO-ADD:0226790,4.99,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cc4)ccc4Cl)c(nn1)C(C)C,0.0
35669,CO-ADD:0225254,4.99,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)NCc(cc4)ccc4Cl)C2=O,0.0
35670,CO-ADD:0218051,4.99,n1(c2ccc(c(Cl)c2)F)cnnn1,0.0
35671,CO-ADD:0218801,4.99,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(=O)Cc2cccc(cccc3)c23,0.0
35672,CO-ADD:0218257,4.99,C1(C2c3ccc(cc3)I)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
35673,CO-ADD:0218297,4.99,N(/c1cccc(c1)\N=C\c2ccccc2O)=C\c3ccccc3O,0.0
35674,CO-ADD:0218393,4.99,c1(non2)c2nc(Nc3cc(C)ccc3C)c(N\N=C\c4ccc(cc4Cl)Cl)n1,0.0
35675,CO-ADD:0226999,4.99,n12c(ccc(N(C)CCCC)n1)nnc2CCc3onc(c4ccc(cc4)OCc5ccccc5)n3,0.0
35676,CO-ADD:0226982,4.99,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(CC(=O)NC(C)CC)C1=O,0.0
35677,CO-ADD:0226607,4.99,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4Cl,0.0
35678,CO-ADD:0226631,4.99,C1(=NN(C2=O)Cc3cc(C)ccc3C)N2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
35679,CO-ADD:0225335,4.99,c12n(ccn(nc(c3ccc(cc3)F)c4)c14)c(nn2)SCC(=O)Nc5cccc(C)c5C,0.0
35680,CO-ADD:0166599,4.99,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C\c2cccc(Cl)c2Cl,0.0
35681,CO-ADD:0166220,4.99,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2cccc(cccc3)c23,0.0
35682,CO-ADD:0166590,4.99,C1(C(=O)N\N=C\c(cccn2)c2)CC1c3ccccc3,0.0
35683,CO-ADD:0166508,4.99,C(=O)(Nc(cc1)ccc1CCCC)C(=O)NCc(ccc(c23)OCO2)c3,0.0
35684,CO-ADD:0229576,4.99,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CSc3ccccc3,0.0
35685,CO-ADD:0229734,4.99,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
35686,CO-ADD:0227408,4.99,c(Br)(c(C)c(C)cc1\C=N\c(ccc(c23)cccc2)c3)c1O,0.0
35687,CO-ADD:0227998,4.99,c(\C=N\NC(=O)Cc1ccc(c(cccc2)c12)Br)(cc(Br)cc3Br)c3OC,0.0
35688,CO-ADD:0229262,4.99,c1(NC(C)=O)c2c(oc1Cl)cccc2,0.0
35689,CO-ADD:0227297,4.99,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc2cccc(C)c2)=O)O,0.0
35690,CO-ADD:0234218,4.99,c1(c(Br)cc(cc1\C=N\NC(=O)c(c2)cc(cn2)Br)Br)OC(=O)c3cccc(C)c3,0.0
35691,CO-ADD:0234121,4.99,c12c(ncnc1SCC(OCC)=O)c3c(cccc3)o2,0.0
35692,CO-ADD:0234063,4.99,c1(ccccc1Cl)C(=O)N\N=C\c(cc2)ccc2C,0.0
35693,CO-ADD:0234373,4.99,C(C1CCCCC1)(=O)Oc2ccc(cc2Cl)OC(C3CCCCC3)=O,0.0
35694,CO-ADD:0234783,4.99,c1(NC(=O)CC(c2ccc(cc2)OC)NC(=O)C(F)(F)F)nnc(SCC)s1,0.0
35695,CO-ADD:0229041,4.99,C(OC)(NCCCCCCCCNC(OC)=O)=O,0.0
35696,CO-ADD:0233370,4.99,c1([nH]c(c2n1)cccc2)c3oc(c4n3)cccc4,0.0
35697,CO-ADD:0236065,4.99,[N+](=O)([O-])c1c(\C=N\NC(=O)c2ccccc2C)cc(c3c1)OCO3,0.0
35698,CO-ADD:0234383,4.99,c1(N\N=C(\CCCC2)/C2)[nH]nnn1,0.0
35699,CO-ADD:0234313,4.99,c1(c(O)c(\C=N\c2ccc(cc2O)C)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
35700,CO-ADD:0234293,4.99,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccccc2C#N)=O)c3ccccc3Cl,0.0
35701,CO-ADD:0226237,4.99,S(=O)(=O)(N(Cc1ccccc1F)c2ccc(c3c2)OCO3)c(ccc(n4c5)nn5)c4,0.0
35702,CO-ADD:0225223,4.99,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc4cc(OC)cc(OC)c4)C2=O,0.0
35703,CO-ADD:0221757,4.99,C(=O)(N\N=C\c(cc1)ccc1OC\C=C\Cl)c2cccc(O)c2,0.0
35704,CO-ADD:0221790,4.99,N1(C(=O)c2ccc(cc2)OC)c3c(OC1=O)ccc(Cl)c3,0.0
35705,CO-ADD:0221115,4.99,c1(cc(F)c(cc1Cl)F)C(=O)Nc2cccc(C)n2,0.0
35706,CO-ADD:0220150,4.99,[N+](=O)([O-])c1cccc(\C=N\NC(CNc(cc2)ccc2C)=O)c1O,0.0
35707,CO-ADD:0219230,4.99,C1(=C(CCCC1=O)O)C(c2ccc(cc2)Cl)C3C(CCCC3=O)=O,0.0
35708,CO-ADD:0222667,4.99,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc2c(OC)ccc(OC)c2)Cl,0.0
35709,CO-ADD:0222668,4.98,N(\C(=C\c(ccc(c1OC)OC)c1)\C(O2)=O)=C2C(C)(C)C,0.0
35710,CO-ADD:0219431,4.98,c1(C)c(cccc1NC(CCC(=O)N\N=C\c2cc(OC)ccc2OC)=O)Cl,0.0
35711,CO-ADD:0220908,4.98,C(=N/NC(COc1ccc(cc1Br)C)=O)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
35712,CO-ADD:0219599,4.98,C(=O)(N\N=C\c(cc1)ccc1Cl)C(=O)Nc2ccc(cc2C)Cl,0.0
35713,CO-ADD:0220795,4.98,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNc2cccc(C)c2)=O)c3ccccc3Cl,0.0
35714,CO-ADD:0220759,4.98,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c2ccccn2)c1,0.0
35715,CO-ADD:0220798,4.98,N(=C(/C)\c(cc1)ccc1c2ccccc2)/NC(CNc3ccccc3C)=O,0.0
35716,CO-ADD:0225974,4.98,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4onc(c5ccc(cc5)Br)n4)C2=O,0.0
35717,CO-ADD:0225990,4.98,n12c(ccc(c3ccc(cc3)C)n1)nnc2CCC(=O)NC(C)c4ccc(c(OC)c4)OC,0.0
35718,CO-ADD:0218724,4.98,C(=O)(N\N=C\c(ccc(c1OCC)O)c1)C(=O)Nc2cccc(Cl)c2,0.0
35719,CO-ADD:0218244,4.98,C(COc1cccc(C)c1)(=O)N\N=C\c(cc2)ccc2OCC,0.0
35720,CO-ADD:0218409,4.98,c1(cc([nH]c(n2)N)c2cc1[N+](=O)[O-])[N+](=O)[O-],0.0
35721,CO-ADD:0225455,4.98,c12n(ccn(c(nn3)CCC(=O)NCc4ccccc4Cl)c13)nc(c5ccc(cc5)OC)c2,0.0
35722,CO-ADD:0225470,4.98,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc(cccc5C#N)c5)=O,0.0
35723,CO-ADD:0225670,4.98,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)NCc(cc4)ccc4SC)=O,0.0
35724,CO-ADD:0218325,4.98,c1(Cl)c(ccc(Cl)c1)OCC(=O)NC(C)CCCCCC,0.0
35725,CO-ADD:0215643,4.98,C(=O)(c1cccc(c1)OC(NCc2ccccc2)=S)Nc(cc3)ccc3Cl,0.0
35726,CO-ADD:0214900,4.98,N1(NC(=O)c2ccc(cc2)Br)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
35727,CO-ADD:0214964,4.98,C(=O)(N\N=C\c(cc1)ccc1OCC)c2ccc(cc2)COc(cc3)ccc3C,0.0
35728,CO-ADD:0215644,4.98,C(OC)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2OCC(=O)c(cc3)ccc3c4ccccc4,0.0
35729,CO-ADD:0229607,4.98,n(c(CC)nn1)([nH]c(n2)c(ccc(c3[N+](=O)[O-])Cl)c3)c12,0.0
35730,CO-ADD:0227150,4.98,N1(CCCC1C(=O)NCc2ccccc2)C(=O)OCc3ccccc3,0.0
35731,CO-ADD:0227962,4.98,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
35732,CO-ADD:0227110,4.98,c1(c(C)nn2c3ccccc3)c2OC(=C(C#N)C14c5c(NC4=O)ccc(F)c5)N.[Na+],0.0
35733,CO-ADD:0229232,4.98,C(=O)(Oc1cccc(c1)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c(cc3OC)cc(c3OC)OC,0.0
35734,CO-ADD:0236283,4.98,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c4c5c([nH]c4C)cccc5,0.0
35735,CO-ADD:0236404,4.98,[N+](=O)([O-])c1cccc(C(=O)COC(CNC(=O)c2ccc(cc2)Br)=O)c1,0.0
35736,CO-ADD:0234307,4.98,c(\C=N\NC(COc(ccc(c1C)C)c1)=O)(cc(OCO2)c2c3)c3Cl,0.0
35737,CO-ADD:0234691,4.98,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(COc(ccc(c3C)C)c3)=O,0.0
35738,CO-ADD:0231664,4.98,c1(OCC(=O)N\N=C\c2cccs2)c(OC)cc(cc1Br)Br,0.0
35739,CO-ADD:0234503,4.98,c1(nc(c2n1Cc3ccccc3Cl)cccc2)c4nonc4N,0.0
35740,CO-ADD:0236111,4.98,C1(C(OCC)=O)=C(C)NC(NC1c2c(ccc(cccc3)c23)OCC(=O)N(CC4)CCO4)=O,0.0
35741,CO-ADD:0231640,4.98,c(cc(\C=N\c(ccc(c12)[nH]c(c3ccccc3)n1)c2)c(c4[N+](=O)[O-])O)([N+](=O)[O-])c4O,0.0
35742,CO-ADD:0233359,4.98,C(c1ccccc1)(=O)NCc(cc2)ccc2CNC(c3ccccc3)=O,0.0
35743,CO-ADD:0233685,4.98,[P+](c1ccccc1)(c2ccccc2)(c3ccccc3)Cc4cccc(N)c4.[I-],0.0
35744,CO-ADD:0233677,4.98,C1(=O)c2c(cccc2)c(c3C1=O)cccc3,0.0
35745,CO-ADD:0233496,4.98,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
35746,CO-ADD:0221717,4.98,C(CC(C1)CC1)(=O)Nc2cccc(C)c2,0.0
35747,CO-ADD:0220323,4.98,n1c2c(oc1c(cc3)ccc3C(C)(C)C)ccc(c2)\N=C\c4cc(C)c(cc4O)C,0.0
35748,CO-ADD:0220136,4.98,n(c1c([nH]2)cccc1)c2CCCCCCCCCCCCCCCCC,0.0
35749,CO-ADD:0221739,4.98,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(NCCOc2cc(C)ccc2C(C)C)=O)c1,0.0
35750,CO-ADD:0221431,4.98,S(=O)(=O)(c(cccc1C(=O)Nc(cc2)ccc2[N+](=O)[O-])c1)Nc3ccccn3,0.0
35751,CO-ADD:0219452,4.98,c1(O)c(Br)cc(cc1Br)\C=N\NC(COc2ccc(cc2Cl)Cl)=O,0.0
35752,CO-ADD:0222528,4.98,C(=O)(NCC(=O)N\N=C(\C)/C=C/c1ccccc1)c2ccc(c(OC)c2)OC,0.0
35753,CO-ADD:0220038,4.98,N(=C\c(cc1)ccc1OCC)/Nc2ccccc2,0.0
35754,CO-ADD:0220957,4.98,n(Cc1ccccc1)(c2c(c3\C=N\NC(=O)c4ccccc4Br)cccc2)c3C,0.0
35755,CO-ADD:0222646,4.98,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)Oc(cc2)ccc2C=O,0.0
35756,CO-ADD:0222474,4.98,N(CC1)(CCO1)c2ccc(cc2)\C=N\Nc3ccccc3C,0.0
35757,CO-ADD:0220774,4.97,C(CNc1cccc(C)c1)(=O)N\N=C\c2cccc(O)c2,0.0
35758,CO-ADD:0220444,4.97,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3cccc(Br)c3)=O)o1,0.0
35759,CO-ADD:0220758,4.97,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(=O)C(O)c3ccccc3)o1,0.0
35760,CO-ADD:0219663,4.97,c1(c(Cl)ccc(Cl)c1)NC(CCC(=O)N\N=C\c(cc2)ccc2Br)=O,0.0
35761,CO-ADD:0218951,4.97,C(C(c1ccc(cc1)Cl)Nc2cccc(Br)c2)C(=O)c3ccc(cc3)C,0.0
35762,CO-ADD:0218127,4.97,N1(C(C)=O)[C@@H](c2ccc(cc2)Br)SC[C@H]1C(=O)Nc(cc3)ccc3OC,0.0
35763,CO-ADD:0218684,4.97,C(c1ccccc1)(=O)N\N=C/c2ccccc2OC(=O)\C=C\c(cc3)ccc3Br,0.0
35764,CO-ADD:0218168,4.97,n1c(c2ccc(cc2)C)c(cn1c3ccccc3)\C=N\NC(=O)C(C)Oc(cc4)ccc4OCc5ccccc5,0.0
35765,CO-ADD:0218208,4.97,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N2CCCCC2,0.0
35766,CO-ADD:0218021,4.97,c1(ccc(C(=O)Oc2cccc(c2)\C=N\NC(=O)c(c3)cc(cn3)Br)o1)[N+](=O)[O-],0.0
35767,CO-ADD:0218421,4.97,c1(c2ccccc2Cl)nnc(NC(=O)C(F)(F)F)s1,0.0
35768,CO-ADD:0218230,4.97,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3ccccc3C(O)=O,0.0
35769,CO-ADD:0218038,4.97,N1(c(cc2Cl)cc(c2N)Br)C(=O)c(c3C1=O)cccc3,0.0
35770,CO-ADD:0225616,4.97,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc(cc4)ccc4C(OCC)=O)=O,0.0
35771,CO-ADD:0225686,4.97,C1(=N2)N(C=CN=C1Oc3cccc(C)c3C)C(N2CC(=O)N(CC4)CCN4c5ccccc5F)=O,0.0
35772,CO-ADD:0215512,4.97,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2C(C)C)CC(=O)N\N=C\c(cc3)ccc3C#N,0.0
35773,CO-ADD:0215520,4.97,N#Cc(cc1)ccc1\C=N\NC(CSCc2ccccc2C)=O,0.0
35774,CO-ADD:0215581,4.97,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c3cccc(C)c3,0.0
35775,CO-ADD:0166743,4.97,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc4ccccc4,0.0
35776,CO-ADD:0165954,4.97,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc(cc2)ccc2\C=N\c(ccc(c3C)C)c3,0.0
35777,CO-ADD:0166611,4.97,C(=O)(N\N=C\c(cc1)ccc1Cl)C(C)Oc(cc2)ccc2OCc3ccccc3,0.0
35778,CO-ADD:0231825,4.97,c1(c2cccc(c2)\N=C\c(cc3)ccc3C(OC)=O)oc(c4n1)cccc4,0.0
35779,CO-ADD:0229368,4.97,N1(c2ccc(cc2)C)C(=O)CSC1c3ccc(cc3)Br,0.0
35780,CO-ADD:0234504,4.97,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5)OCc6ccc(cc6Cl)Cl,0.0
35781,CO-ADD:0234237,4.97,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cccc4OC(=O)c5cccc(Br)c5)c4,0.0
35782,CO-ADD:0233634,4.97,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(=O)Cc3cccc(cccc4)c34)o1,0.0
35783,CO-ADD:0233628,4.97,C12(CC(CC3C1)CC(C3)C2)C(=O)Nc4cccc(cccc5)c45,0.0
35784,CO-ADD:0227072,4.97,c1(ccccc1O)C(=O)N\N=C(/CCCCCCCC)\CCCCCCCC,0.0
35785,CO-ADD:0236130,4.97,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
35786,CO-ADD:0231643,4.97,c1(C(=O)N\N=C\c2ccc(cc2O)OC)nn(c(c3ccccc3)n1)c4ccccc4,0.0
35787,CO-ADD:0229766,4.97,c1(NC(CCC)=O)c2c(cccc2)nc(CCC)c1CC,0.0
35788,CO-ADD:0233184,4.97,N1(c2ccc(cc2)OC)C(C)=Nc(c3C1=O)cccc3,0.0
35789,CO-ADD:0227992,4.97,C(=N/NC(COc1ccc(cc1OC)Br)=O)(/c2c(N3C)cccc2)\C3=O,0.0
35790,CO-ADD:0234362,4.97,C(=C/c(cc1)ccc1Br)(/C(=O)NN2c3ccccc3)\C2=O,0.0
35791,CO-ADD:0236859,4.97,n1(c2cccc(cccc3)c23)nnnc1Sc4ccc(cc4[N+](=O)[O-])C(F)(F)F,0.0
35792,CO-ADD:0225773,4.97,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4c(C)cc(cc4C)C)=O,0.0
35793,CO-ADD:0226957,4.97,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4ccccc4C(OCC)=O)c(nn1)C(C)C,0.0
35794,CO-ADD:0222115,4.97,c1c(cccc1N(C)C)NC(CCCCCCCCCCCCCCCCC)=O,0.0
35795,CO-ADD:0221811,4.97,S(NCCSCCCCCCCCCCCCCCCCCC)(=O)(=O)c1ccc(cc1)Cl,0.0
35796,CO-ADD:0221772,4.97,N1(CCCCCCCCCCCCCCCCCC)C(=O)CC(NC1=O)=O,0.0
35797,CO-ADD:0218984,4.97,c12c(ccc(OC(CCCCCCCCCCCCCCCCC)=O)c1C)\C(\CCC2)=N\OC(CCCCCCCCCCCCCCCCC)=O,0.0
35798,CO-ADD:0221704,4.97,N1(CNc2cccc(C)c2C)C(=O)\C(\SC1=S)=C\c3cccc(Br)c3,0.0
35799,CO-ADD:0219045,4.96,C(/CC1C)(=N/OC(CCCCCCCCCCCCCCCCC)=O)\c2c(C1)cc(OC(CCCCCCCCCCCCCCCCC)=O)cc2,0.0
35800,CO-ADD:0222253,4.96,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)Br)OC(=O)c3cccc(F)c3,0.0
35801,CO-ADD:0220893,4.96,c1(\C=N\NC(=O)\C(=C\c(cc2)ccc2[N+](=O)[O-])\NC(c3ccccc3)=O)c(Br)cc(c(O)c1Br)Br,0.0
35802,CO-ADD:0220032,4.96,N(\C(=C\c1ccco1)\C(O2)=O)=C2c3ccccc3,0.0
35803,CO-ADD:0221813,4.96,C(O\N=C\C(=O)Nc1ccccc1Br)(=O)Nc(cc2)ccc2Cl,0.0
35804,CO-ADD:0222470,4.96,C(=C\c(c(Cl)cc(c1[N+](=O)[O-])Cl)c1)(/C2=O)\Sc(c23)cccc3,0.0
35805,CO-ADD:0221887,4.96,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4Br,0.0
35806,CO-ADD:0220377,4.96,c1(\C=N\NC(CNc2ccccc2C)=O)c3c(cccc3)cc(cccc4)c14,0.0
35807,CO-ADD:0219652,4.96,C(=O)(N\N=C\c1cccc(Cl)c1)C(=O)Nc2ccc(cc2C)Cl,0.0
35808,CO-ADD:0219638,4.96,c1(O)c(Br)c(\C=N\NC(Cc2ccccc2)=O)cc(Br)c1O,0.0
35809,CO-ADD:0220120,4.96,C(C#N)(C1c2cccc(F)c2)=C(N)SC(N)=C1C#N,0.0
35810,CO-ADD:0218632,4.96,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C(/C)\CCCC)c1,0.0
35811,CO-ADD:0218088,4.96,C(/C(OCC)=O)(\C(OCC)=O)=C/Nc1cccc(C)n1,0.0
35812,CO-ADD:0218091,4.96,c1(cnc(c2c1O)ccc(Br)c2)C(OCC)=O,0.0
35813,CO-ADD:0218140,4.96,C(=O)(CN1CCCC1)Nc2cccc(Cl)c2.Cl,0.0
35814,CO-ADD:0218548,4.96,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cc4)ccc4Cl,0.0
35815,CO-ADD:0218386,4.96,c1([N+](=O)[O-])c(c(C)cc([N+](=O)[O-])c1NCC(C)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
35816,CO-ADD:0149771,4.96,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC(OC)=C(O)C=C4)C#N,0.0
35817,CO-ADD:0149775,4.96,ClC(N=C(C(C#N)=C1C2=CC=CC=C2)N(CC#C)C)=C1C#N,0.0
35818,CO-ADD:0148581,4.96,O=C(C1=CC(O)=CC=C1O)CCC2=CC=C(O)C=C2O,0.0
35819,CO-ADD:0147062,4.96,CC(c1cc(C(C)=O)cc(C(C)=O)c1)=O,0.0
35820,CO-ADD:0147070,4.96,CCOC(C1=CC=[N+]([Pt]2(C)([N+]3=C(C4=CC=C3)C5=C(C6=C4N=C7C=CC=CC7=N6)C=CC=[N+]52)(C)C)C=C1)=O.F[P-](F)(F)(F)(F)F,0.0
35821,CO-ADD:0147074,4.96,[H]Sc1ccc(C(OC)=O)cc1,0.0
35822,CO-ADD:0137853,4.96,ClC(C(C1=NOC(C(C)(C)O)=C1)=C(OC)C2=C3OCO2)=C3OC,0.0
35823,CO-ADD:0149192,4.96,c(OC)(c(OC)c1C=O)c(OC2)c(O2)c1,0.0
35824,CO-ADD:0149417,4.96,c(C1C(C#N)=C(N)Oc(cc2O)c1cc2)(c(OC)c3OC)ccc3,0.0
35825,CO-ADD:0137857,4.96,O=C1C2=C(CC(C1)C3=CC(OC)=C(OC)C(OC)=C3)N(N=C2C)C4=NC(C=CC=C5)=C5N4,0.0
35827,CO-ADD:0140039,4.96,COC(C=C1)=CC=C1NC(C=CC=C2)=C2C3=CC=C([N+]([O-])=O)C=C3,0.0
35828,CO-ADD:0149275,4.96,COc(c(c(OC)cc1C(c(c([nH]2)N3)c(n2)C)C(=C3C4)C(O4)=O)OC)c1,0.0
35829,CO-ADD:0137848,4.96,CC1=C(C(C)=CC(C)=C1)C2=NOC(C)C2C3=CC4=C(OCO4)C(OC)=C3OC,0.0
35830,CO-ADD:0149264,4.96,c(c(C1c2c(cn(C)n2)NC3=C1C(=O)OC3)c4)c(OC)c(OCO5)c45,0.0
35831,CO-ADD:0148950,4.96,c1(cc(OCO2)c2c3)c3C(CC(=O)N1)c4ccc(c(Cl)c4)Cl,0.0
35832,CO-ADD:0149486,4.96,c(c1ccc(OC)cc1)(c(NC(=O)C)no2)c2c3ccc(OC)cc3,0.0
35833,CO-ADD:0137835,4.96,O=S(C1=CSC(C(C2)C(C=C3)=CC4=C3OCO4)=C1NC2=O)(C(C=C5)=CC=C5Cl)=O,0.0
35834,CO-ADD:0149848,4.96,BrC(/C(OC1=C2C(C=CC=C3)=C3C=C1)=NBr)(C2C4=CC([N+]([O-])=O)=CC=C4)C#N,0.0
35835,CO-ADD:0149854,4.96,N=C(C(C1C2=CC=CC=C2)(Br)C#N)OC3=C1C(C=CC=C4)=C4C=C3,0.0
35836,CO-ADD:0137891,4.96,COC1=C2C(OCO2)=C(OC)C(CC3CC(C4=CC(Cl)=CC=C4)=NO3)=C1,0.0
35838,CO-ADD:0137862,4.96,COC1=C2C(OCO2)=C(OC)C(CCC)=C1C3C4=C(CCCC4=O)OC(N)=C3C(OCC)=O,0.0
35839,CO-ADD:0137878,4.96,N#CC1=C(OC)C(OCO2)=C2C(OC)=C1,0.0
35841,CO-ADD:0149426,4.95,c(C1c(c2N)c(nc(N)c2C#N)Oc(cc3O)c1cc3)(cc4OC)ccc4,0.0
35842,CO-ADD:0149729,4.95,O=C1NC(C2=CC=C(C=C2)OC)=CC(C3=C(Cl)N=C(C=C(C)C=C4C)C4=C3)=C1,0.0
35843,CO-ADD:0149676,4.95,NC(N=C(N)C(C#N)=C1C2=CC=CC=C2)=C1C#N,0.0
35844,CO-ADD:0149680,4.95,C#CCN(CC1=CC2=CC(OCCC3CCN(CC4=CC=CC=C4)CC3)=CC=C2N1C)C.Cl,0.0
35845,CO-ADD:0149458,4.95,c(c1cc(OCO2)c2c(OC)c1)(c(N)on3)c3c4ccc(OC)cc4,0.0
35846,CO-ADD:0148642,4.95,[se]1c2c(NC(=O)CC2c3c(OC)c(OC)c(OCO4)c4c3)nc1N,0.0
35847,CO-ADD:0149187,4.95,COc(c1OC)c(\C=C\C(c(cc2)cc(OCO3)c23)=O)ccc1OC,0.0
35848,CO-ADD:0149363,4.95,c(c(OC)ccc1\C(\C#N)=C\c(cc(OC)c(OC)c2OC)c2)c1,0.0
35849,CO-ADD:0148690,4.95,s(c(C(c1c(OC)c(OC)c(OCO2)c2c1)CC(N3)=O)c34)c(NCC)n4,0.0
35850,CO-ADD:0148724,4.95,C(c1ccc(c(OC)c1)OC)(Oc(ccc(c2)N)c2C3=O)=C3,0.0
35851,CO-ADD:0149864,4.95,BrC(/C(OC1=C2C(C=CC=C3)=C3C=C1)=NBr)(C2C4=CC=C(C(OC)=C4)OC)C#N,0.0
35852,CO-ADD:0149867,4.95,ClC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=C(C=CC=C4)[N+]([O-])=O)C#N,0.0
35853,CO-ADD:0149868,4.95,ClC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC([N+]([O-])=O)=CC=C4)C#N,0.0
35854,CO-ADD:0137660,4.95,C1(C)(C(C)(C)OC2=O)N2CCc(cc(OC)c(OC)c3)c13,0.0
35855,CO-ADD:0137661,4.95,c1(C(N)=O)nonc1N,0.0
35856,CO-ADD:0149108,4.95,N([C@H](c1ccccc1)[C@H](N2)c3ccccc3)=C2c4ccccc4,0.0
35857,CO-ADD:0148785,4.95,c(OC)(c(OC)c1OC)cc(C(=O)\C=C\c(cc2)ccc2OC)c1,0.0
35858,CO-ADD:0148959,4.95,c12c(cc(OCO3)c3c1)NC(=O)CC2c4ccccc4OC,0.0
35859,CO-ADD:0148711,4.95,C1(c2ccc(cc2)Cl)=COc(c3C1=O)cc(cc3)OC,0.0
35860,CO-ADD:0149111,4.95,[C@H](N)(c1ccccc1)[C@H](N)c2ccccc2,0.0
35861,CO-ADD:0149685,4.95,NC(C(C#N)=C1C2=CC=CC=C2)=NC(N3CCCC3)=C1C#N,0.0
35862,CO-ADD:0137672,4.95,C1(C)(NCCc(cccc2)c12)C3(CCCCC3)O,0.0
35863,CO-ADD:0137676,4.95,N1(CCc(c2c([nH]3)ccc(OC)c2)c3C)C(C)(O)C(OC1=O)(C)C,0.0
35864,CO-ADD:0137680,4.95,n1(nc(c(c2ccc(cc2)Cl)c1N)C)c3[nH]c(c4n3)cccc4,0.0
35865,CO-ADD:0149151,4.95,c1(OC)c(OC)c(CC(CC(=N2)CNCc(cccc3C(F)(F)F)c3)O2)cc(OCO4)c14.Cl,0.0
35866,CO-ADD:0148904,4.95,c1(c(C)nc(cc(C)cc2)n12)c3csc(Nc4cccc(O)c4)n3.Br,0.0
35867,CO-ADD:0148912,4.95,c1(n2)c(c3c(CCCC3)s1)c(nc2c4ccc(c(cccc5)c45)OC)O,0.0
35868,CO-ADD:0148917,4.95,C1(=Cc2c(OC1=O)ccc(Br)c2)c3oc(c4n3)cccc4,0.0
35869,CO-ADD:0149110,4.95,N([C@H](c1cccs1)[C@H](N2)c3cccs3)=C2c4cccs4,0.0
35870,CO-ADD:0148750,4.95,c(cc1N(C)C)(OC(N)=C(C#N)C2c(cc3OC)c(OC)c4c3OCO4)c2cc1,0.0
35871,CO-ADD:0137685,4.95,c1nnn(c2c(n(ccc3)c3)non2)c1c4ccc(Cl)cc4,0.0
35872,CO-ADD:0137621,4.95,c(C(=O)c1ccc(cc1)Br)(c2N)sc3c2cc(c4n3)CCC4,0.0
35873,CO-ADD:0137628,4.95,c1(C(=O)NN=Cc(cc2)ccc2I)nonc1N,0.0
35874,CO-ADD:0149158,4.95,C(P(OCC)(OCC)=O)(C1c2ccc(cc2)F)=C(c3ccccc3)OC(N)=C1C#N,0.0
35875,CO-ADD:0149399,4.95,c(c1)(OC(N)=C(C#N)C2c(scc3)c3)c2cc(O4)c1OC4,0.0
35876,CO-ADD:0149447,4.95,c(cc1c2OC(=O)N1)c(O)c2,0.0
35877,CO-ADD:0149044,4.95,c1c(c2cc(c1)C(C(c3ccc(OCO4)c4c3)=O)=O)OCO2,0.0
35878,CO-ADD:0148991,4.95,c1(nc(c2n1Cc(cc3)ccc3F)cccc2)c4nonc4N,0.0
35879,CO-ADD:0149318,4.95,COc(c(c(O1)cc2c(c(c(c(c(C3)c4)CC3)n5)c4)c(c5C6)C(O6)=O)OC1)c2,0.0
35880,CO-ADD:0137719,4.95,c(cc1CNc(non2)c2c3nc(N)on3)c(OC)cc1,0.0
35881,CO-ADD:0137637,4.95,c(C(c1ccccc1)=O)(c2N)sc3c2cc(c4n3)CCCC4,0.0
35882,CO-ADD:0148677,4.95,c(c(c1O)O)(c(cc1OC)C(CC(=O)N2)c(snc3c4ccccc4)c23)OC,0.0
35883,CO-ADD:0148898,4.95,n1c(c2cccc(c2)C#Cc3ccccc3)[nH]c(c4ccc(cc4)Cl)c1c5ccccc5,0.0
35884,CO-ADD:0148809,4.95,c1noc(c(ccc(OC)c2)c2)c1c(cc(OC)c(OC)c3OC)c3,0.0
35885,CO-ADD:0148926,4.95,c1(nc(c2n1Cc(nc(N)nc3N4CCCCC4)n3)cccc2)c5nonc5N,0.0
35886,CO-ADD:0148857,4.95,C1(C(OCC)=O)=C(C)NC(NC1c2cc(OC)ccc2OC)=S,0.0
35887,CO-ADD:0149146,4.95,c(C1c2ccsc2)(c(NC(C1)=O)c3)sc3,0.0
35888,CO-ADD:0137645,4.95,c1([nH]c(c2n1)cccc2)c3nonc3N,0.0
35889,CO-ADD:0148770,4.94,c(NC(=O)CC1c(ccc(OCCO2)c23)c3)(c(n4)c5ccc(cc5)OC)c1s4,0.0
35892,CO-ADD:0149021,4.94,N1[C@@H](C(CC=C2)C2c3c1cc(Cl)cc3Cl)c(cc4OC)cc(c4OC)Br,0.0
35893,CO-ADD:0148709,4.94,c(c(cc1)ccn1)(cc2)nc3c2c(N)c(C(c(cc4)cc(OC)c4OC)=O)s3,0.0
35894,CO-ADD:0148704,4.94,c1(C(c(cc2)ccc2OC)=O)c(N)c(cc3c(CCCC3)n4)c4s1,0.0
35895,CO-ADD:0137730,4.94,O=C(c1n(C)c([N+](=O)[O-])cn1)NCc2ccccn2.OC(C(F)(F)F)=O,0.0
35896,CO-ADD:0148896,4.94,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(cc2Cl)Cl)=S,0.0
35897,CO-ADD:0149025,4.94,c1(NC(=O)Cn2c(c3c(N)non3)nc(c2c4)ccc4)c5c(nsn5)ccc1C,0.0
35898,CO-ADD:0149081,4.94,n1(c(c2c3cc(OC)c(O)cc3)Nc(c4)cc(OC)c(OC)c4)c(n2)cncc1,0.0
35899,CO-ADD:0149782,4.94,CC(N=C(N=C(CCCCC1)C1=C2N)C2=C3C4=CC=CC=C4OC)=C3C(OCC)=O,0.0
35900,CO-ADD:0153074,4.94,CN1C=C(NC(C2=C(C(C)C)SC(N)=N2)=O)C=C1C(NC3=CN(C)C(C(OCC)=O)=C3)=O,0.0
35901,CO-ADD:0149784,4.94,NC1=C2C(CCN(CC3=CC=CC=C3)C2)=NC(C1=C4)=NC(OC)=C4C#N,0.0
35902,CO-ADD:0149791,4.94,NC1=C2C(CCN(CC#C)C2)=NC(C1=C3)=NC(N4CCCC4)=C3C#N,0.0
35903,CO-ADD:0149793,4.94,NC1=C2C(CCCC2)=NC(C1=C3)=NC(N4CCCCC4)=C3C#N,0.0
35904,CO-ADD:0149617,4.94,BrC1=C2C(NC(CC2C)=O)=C3C(N=C(CCCC4)C4=C3N)=N1,0.0
35905,CO-ADD:0149578,4.94,C#CCN(CC1=CC2=CC(OCCCCC3CCN(CC4=CC=CC=C4)CC3)=CC=C2N1C)C,0.0
35906,CO-ADD:0153087,4.94,CN1C=C(NC(C2=CC(NC(C3=CC=C(Cl)C=C3Cl)=O)=CN2C)=O)C=C1C(NC4=CN(C)C(C(NCCCN5CCOCC5)=O)=C4)=O.OC(C(F)(F)F)=O,0.0
35907,CO-ADD:0153091,4.94,CN1C=C(NC(C2=CC(NC(C3=NC=C(C=CC=C4)C4=C3)=O)=CN2C)=O)C=C1C(NC5=NC(C(NCCN6CCOCC6)=O)=C(C(C)C)S5)=O.OC(C(F)(F)F)=O,0.0
35908,CO-ADD:0153107,4.94,CN1C=C(NC(C2=CC(NC(C)=O)=CN2C)=O)C=C1C(NC3=CN(CCC(C)C)C(C(NCCCN(C)C)=O)=C3)=O.OC(C(F)(F)F)=O,0.0
35909,CO-ADD:0153110,4.94,CN1C=C(NC(C2=CC(NC(N)=N)=CN2C)=O)C=C1C(NC3=CN(CCC(C)C)C(C(NCCCN(C)C)=O)=C3)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
35910,CO-ADD:0149819,4.94,CC1=C(C(C2=CC=CS2)C(C#N)=C(N)O1)C(OCC)=O,0.0
35911,CO-ADD:0149648,4.94,CC1=C(C(C2=CC=CC=C2OC)C3=C(N=C(CCCC4)C4=C3N)N1)C(OCC)=O,0.0
35912,CO-ADD:0149827,4.94,ClC(C(C#N)=C1C2=CC=CC=C2)=NC(NC3CCN(CC4=CC=CC=C4)CC3)=C1C#N,0.0
35913,CO-ADD:0242330,4.94,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c2ccc(c(Br)c2)F,0.0
35914,CO-ADD:0242388,4.94,C1(C2c3cccc(Br)c3)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
35915,CO-ADD:0245354,4.94,c(N1CCCC1)(nc(N(C)N)nc2N3CCCC3)n2,0.0
35916,CO-ADD:0245336,4.94,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c(cccn4)c4,0.0
35917,CO-ADD:0244547,4.94,c1(cccc(cccc2)c12)CC(=O)N\N=C\c3cccc(OC)c3,0.0
35918,CO-ADD:0245934,4.94,C1(=S)N(c(cc2)ccc2N(C)C)C3(\C(=N\C(COc4ccccc4)C(C)(C)C)\N1)CCCCC3,0.0
35919,CO-ADD:0245047,4.94,N1(c2ccc(cc2C)C)C(=O)CC(N(CC3)CCN3S(c4ccccc4)(=O)=O)C1=O,0.0
35920,CO-ADD:0242832,4.94,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)Br,0.0
35921,CO-ADD:0241650,4.94,S(=O)(=O)(Nc(cc1)ccc1OC)c2c(OC)ccc(c2)C(=O)Nc3ccccc3,0.0
35922,CO-ADD:0244308,4.94,s1c(CCOC)nnc1N,0.0
35923,CO-ADD:0244639,4.94,n1(c2ccc(cc2)NC(=O)c3cccc(OC)c3)c(C)ccc1C,0.0
35924,CO-ADD:0245485,4.94,c(C#N)(c(\C(\C#N)=C\c1ccccc1Cl)nn2c3ccccc3)c2N,0.0
35925,CO-ADD:0240342,4.94,C1(C2(C)C)=C(C(SS1)=S)c3c(cc(cc3)C)N2C(=O)c(cc4)ccc4[N+](=O)[O-],0.0
35926,CO-ADD:0245812,4.94,N1(c2ccccc2C)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
35927,CO-ADD:0241525,4.94,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
35928,CO-ADD:0240311,4.94,N1(c2cccc(cccc3)c23)C(=O)\C(=C\c(c(cccc4)c4n5Cc6ccccc6)c5)\C(NC1=S)=O,0.0
35929,CO-ADD:0240806,4.93,S(NCCOc(cc1)ccc1OC)(=O)(=O)c(ccc(c23)c4c(cccc4)o2)c3,0.0
35930,CO-ADD:0240796,4.93,C1(=S)N(C(C)c2ccccc2)C3(\C(=N\C(COc4ccccc4)C(C)(C)C)\N1)CCCC3,0.0
35931,CO-ADD:0240399,4.93,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
35932,CO-ADD:0240152,4.93,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)c2ccccc2O,0.0
35933,CO-ADD:0244502,4.93,C1(c(cc2OC)cc(c2OC)OC)=N\C(\C(=O)O1)=C/c(cc3)ccc3C,0.0
35934,CO-ADD:0241228,4.93,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cccc4[N+](=O)[O-])c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
35935,CO-ADD:0240971,4.93,[N+](=O)([O-])c1ccc(cc1)OCC(=O)N\N=C\c(ccc(c2OC)OCCCCC)c2,0.0
35936,CO-ADD:0242504,4.93,N(=C(/c1ccccc1)\C=C\c2ccccc2)/NC(=O)c3cccc(I)c3,0.0
35937,CO-ADD:0245918,4.93,c1(ccccc1N)C(NCCNc2cccc(cccc3)c23)=O,0.0
35938,CO-ADD:0242629,4.93,c1(sc(c(c2ccccc2)n1)C)NC(c(cc3)ccn3)=O,0.0
35939,CO-ADD:0244200,4.93,n1c2c([nH]c1c3ccc(cc3)NC(=O)\C=C\C=C\C)ccc(c2)NC(=O)\C=C\C=C\C,0.0
35940,CO-ADD:0242634,4.93,C(F)(F)(COC(CCC(=O)Nc1ccccc1F)=O)C(F)F,0.0
35941,CO-ADD:0242612,4.93,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(=O)c3ccccc3[N+](=O)[O-],0.0
35942,CO-ADD:0241396,4.93,C(CNc(cc1)ccc1OC)(=O)N\N=C\c2ccc(cc2O)O,0.0
35943,CO-ADD:0242964,4.93,n(cn(n1)CCCCC(Cl)(Cl)Cl)c1,0.0
35944,CO-ADD:0244794,4.93,N1(c2ccccc2OC)C(=O)C(CC1=O)S\C(\NCC)=N/CC,0.0
35945,CO-ADD:0242846,4.93,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
35946,CO-ADD:0242165,4.93,S1(=O)(=O)c(cccc2)c2C(Nc3cccc(O)c3)=N1,0.0
35947,CO-ADD:0244405,4.93,N(CC1)CCC1c2ccccc2.Cl,0.0
35948,CO-ADD:0240304,4.93,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3scc(c(cccc4[N+](=O)[O-])c4)n3,0.0
35949,CO-ADD:0242923,4.93,[N+](=O)([O-])c(c(C)cc(c12)Cc(cccn3)c13)c2,0.0
35950,CO-ADD:0242107,4.93,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N/NC(=O)c3ccccc3O)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
35951,CO-ADD:0242905,4.93,c12c(Cc(cc(C)cc3)c13)nc(c4n2)cccc4,0.0
35952,CO-ADD:0240917,4.93,o(c1c2ccccc2)c(c3ccc(cc3)NC(=O)c4ccc(c(OC)c4)OC)nn1,0.0
35953,CO-ADD:0240160,4.93,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c3ccccc3OC,0.0
35954,CO-ADD:0240284,4.93,C(CC(CC1)CCO1)(=O)Nc(cc2)ccc2I,0.0
35955,CO-ADD:0240264,4.93,n1c(N2CCCCCC2)c(Nc3cccc(C)c3C)nc(non4)c14,0.0
35956,CO-ADD:0240859,4.93,[N+](=O)([O-])c1ccc(cc1NCCOc2cccc(C)c2)N3CCCC3,0.0
35957,CO-ADD:0244951,4.93,P(O)(=O)(CN1CCCCC1)CCN2CCCC2=O,0.0
35958,CO-ADD:0244737,4.93,c(C(c1ccccc1)=O)(sc(n2)NCC=C)c2N,0.0
35959,CO-ADD:0244478,4.93,C(/c1c(N2)cccc1)(=N\c3ccccc3I)\C2=O,0.0
35960,CO-ADD:0244855,4.93,C(N(CC)C(=O)N1CC)(C1N2)N=C3N2C(=O)\C(=C\c(c(Cl)cc(Cl)c4)c4)\S3,0.0
35961,CO-ADD:0241998,4.93,N1(c2ccccc2OCC)C(=O)C(C3(C)C1=O)C(CC34)C=C4,0.0
35962,CO-ADD:0245801,4.93,n1(CC=C)c(SCC(=O)Nc(cccc2C(F)(F)F)c2)nnc1c3cccc(Br)c3,0.0
35963,CO-ADD:0241265,4.93,S(=O)(=O)(c1ccc(cc1)N\C=C(/C(=O)NC(N2)=S)\C2=O)N(CC3)CCO3,0.0
35964,CO-ADD:0241287,4.93,c1(ccc(c2c1OC)cccc2)C(=O)Nc3ccc(cn3)Br,0.0
35965,CO-ADD:0245390,4.93,N1(c2ccccc2)CCC(=O)N1,0.0
35966,CO-ADD:0244284,4.93,[N+](=O)([O-])c1ccc(c(O)c1)NC(=O)c(cccc2[N+](=O)[O-])c2,0.0
35967,CO-ADD:0240989,4.93,N1(c2ccccc2Cl)C(=O)C(C3C1=O)C(C=C4)\C(\C34)=C(\C)/C,0.0
35968,CO-ADD:0246194,4.92,C12(C(OC)=O)CC3C(OC1=O)C(C(C3C45)C4Sc6ccccc6[N+](=O)[O-])C25,0.0
35969,CO-ADD:0241467,4.92,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)cc(c3OC(C)=O)OC)nc(Nc4ccc(cc4Br)C)n1,0.0
35970,CO-ADD:0246197,4.92,C(=C/NNC(=O)c(cccc1[N+](=O)[O-])c1)(/c2cccc(Br)c2)\C(OC)=O,0.0
35971,CO-ADD:0245854,4.92,C(O)(=O)C(O)=O.C1(COc2cccnc2C(C)(C)C)=NCCN1,0.0
35972,CO-ADD:0240181,4.92,N(/c(ccc(c1C)C)c1)=C\c(ccc(c2O)OC)c2,0.0
35973,CO-ADD:0240801,4.92,N12c(c(C3C(CCC3)C1)c4)c(C5C(CCC5)C2)cc4NC(=O)c6cccc(C)c6,0.0
35974,CO-ADD:0240761,4.92,c1(N\N=C\c2ccc(cc2O)OCCC)nc(c3ccccc3)cc(c4ccc(c(OC)c4)OC)n1,0.0
35975,CO-ADD:0242434,4.92,n1(N)c(S)nnc1Cc(cc2)ccc2OCCCC,0.0
35976,CO-ADD:0240762,4.92,c1(N\N=C\c2ccc(cc2OC)OC)nc(c3ccccc3)cc(c4ccc(c(OC)c4)OC)n1,0.0
35977,CO-ADD:0245892,4.92,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCC(=O)Nc(cccc2C(F)(F)F)c2)=O,0.0
35978,CO-ADD:0242527,4.92,[N+](=O)([O-])c1cc(OCc2ccccc2)c(cc1\C=N\c3ccccc3OC)OC,0.0
35979,CO-ADD:0246221,4.92,C(C(N)c1cccc(Br)c1)C(O)=O,0.0
35980,CO-ADD:0244456,4.92,C1(C(C1)CCCCCCCCC)C(=O)Nc(cc2)ccc2N=Nc3ccccc3,0.0
35981,CO-ADD:0241405,4.92,c1(C#N)c(c2ccccc2)c(C#N)c(nc1N3CCCC3)N,0.0
35982,CO-ADD:0241372,4.92,n1c2c(cccc2)ccc1N\N=C(\C3)/CCCCCCCCCC3,0.0
35983,CO-ADD:0246110,4.92,c1(nnc(CCS(=O)(=O)c2ccc(c3c2)cccc3)s1)NC(=O)c4ccc(cc4)Cl,0.0
35984,CO-ADD:0245832,4.92,C(/S(CC)(=O)=O)(\S(CC)(=O)=O)=C(\Nc(ccc(c12)cccc1)c2)/Nc(ccc(c34)cccc3)c4,0.0
35985,CO-ADD:0241978,4.92,S(=O)(=O)(N1CCCc(cccc2)c12)c3c(C(C)C)cc(cc3C(C)C)C(C)C,0.0
35986,CO-ADD:0246121,4.92,C(=C/c(ccc(c1OCC)O)c1)(/C(=O)NN2c3ccc(cc3)Cl)\C2=O,0.0
35987,CO-ADD:0242071,4.92,N(CCN1S(c2ccccc2)(=O)=O)(C1C(C)C)S(=O)(=O)c3ccc(cc3)C,0.0
35988,CO-ADD:0242097,4.92,N1(c2ccc(cc2)F)C(c3ccc(cc3)Br)Nc(c4C1=O)cccc4,0.0
35989,CO-ADD:0240785,4.92,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2)ccc2F,0.0
35990,CO-ADD:0240302,4.92,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCCc3ccccc3,0.0
35991,CO-ADD:0242514,4.92,C1(C(OC)=O)=C(C)NC(NC1c2ccccc2OCC(=O)N(CC3)CCO3)=S,0.0
35992,CO-ADD:0244464,4.92,C(OCC)(=O)C(CN)N.Cl,0.0
35993,CO-ADD:0241252,4.92,c1(NC(COC(=O)C(CCSC)NC(c2ccccc2)=O)=O)sc3c(ccc(OC)c3)n1,0.0
35994,CO-ADD:0241518,4.92,C(C(OCC)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(C)N(C(C)=C1C(OCC)=O)c3ccc(cc3)Br,0.0
35995,CO-ADD:0246153,4.92,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OC)cc(c5OCC#C)I,0.0
35996,CO-ADD:0245654,4.92,N1(c2cc(Cl)cc(Cl)c2)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Br,0.0
35997,CO-ADD:0241194,4.92,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
35998,CO-ADD:0241176,4.92,c1(c2ccccc2)nc(c3ccc(cc3)NC(=O)Cc4cccs4)cc(c5ccc(cc5)NC(=O)Cc6cccs6)n1,0.0
35999,CO-ADD:0240208,4.92,N1(C(NCCCC)=O)c(ccc(c2)Cl)c2OC1=S,0.0
36000,CO-ADD:0245292,4.92,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C/c6ccc(cc6Cl)Cl)n1,0.0
36001,CO-ADD:0240629,4.92,C(C(c1ccccc1)=O)(C(c2ccccc2)CC(c3ccccc3)=O)C(c4ccccc4)Nc5ccccc5[N+](=O)[O-],0.0
36002,CO-ADD:0245803,4.92,c(c1c(s2)CCC1)(C3=O)c2N=C(SCC(=O)Nc4c(C)ccc(Cl)c4)N3c5ccccc5,0.0
36003,CO-ADD:0242077,4.92,n1(c(C)c(nn1)\C(\C)=N\N=C(\c2c3cccc2)/c4c3cccc4)c5nonc5N,0.0
36004,CO-ADD:0241424,4.92,N(C(=O)\C(\S1)=C\c(ccc(c2OC)OC)c2)=C1N3CCCCC3,0.0
36005,CO-ADD:0242770,4.92,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
36006,CO-ADD:0245901,4.92,N(CC(C)c(c12)cccc1)(C3)C2CC(CC(=O)O4)C34C,0.0
36007,CO-ADD:0245580,4.92,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(CCCCCCC)=O,0.0
36008,CO-ADD:0246120,4.92,C(=O)(NC1CCCC1)C\C(\C)=N\NC(=O)c2ccc(cc2)NC(C)=O,0.0
36009,CO-ADD:0245624,4.92,C1(=S)N(c2ccc(cc2)Cl)C3(\C(=N\c4cccc(C)c4)\N1)CCCC3,0.0
36010,CO-ADD:0246201,4.92,C(C(=O)c1ccc(cc1)Br)C(=O)Oc(cc2)ccc2\N=C\c3cc(OC)ccc3O,0.0
36011,CO-ADD:0242189,4.92,C(=C\c(cc1)ccc1OCc(cc2)ccc2F)(/C(C)=NO3)\C3=O,0.0
36012,CO-ADD:0242135,4.92,N(C(=O)CSc1nc(C)cc(C)n1)(c2c3cccc2)c4c(S3)cccc4,0.0
36013,CO-ADD:0241926,4.92,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c3cccs3,0.0
36014,CO-ADD:0242900,4.92,n1c(c2ccccc2)cc(c(C)c1c3ccccc3)c4ccccc4,0.0
36015,CO-ADD:0241457,4.92,c1(N(CC2)CCO2)nc(N\N=C\c(cc3OC)cc(c3OC)OC)nc(Nc4cc(C)ccc4C)n1.Cl,0.0
36016,CO-ADD:0241484,4.91,N1(C(c2ccccc2)=O)C(O)(c3ccc(cc3)C)CC(C(F)(F)F)=N1,0.0
36017,CO-ADD:0240933,4.91,S(=O)(=O)(c1ccc(cc1)C)Oc2ccccc2C(NN=C3c4cccc(cccc5)c45)S3,0.0
36018,CO-ADD:0240689,4.91,[N+](=O)([O-])c1ccc(cc1)NC(=O)CC(C)=O,0.0
36019,CO-ADD:0240205,4.91,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3cc(Br)cc(OC)c3O,0.0
36020,CO-ADD:0240180,4.91,[N+](=O)([O-])c1cc(ccc1OC)CSc2sc(c3n2)cccc3,0.0
36021,CO-ADD:0240366,4.91,c1(sc(c2n1)cccc2)Sc(nc(NCCc3ccco3)nc4Sc5sc(c6n5)cccc6)n4,0.0
36022,CO-ADD:0240920,4.91,C(=N\c(ccc(c12)cccc1)c2)(/S\C(\C3=O)=C\c4cccc(Br)c4)\N3,0.0
36023,CO-ADD:0246193,4.91,[C@@H](C1)([C@@H](O)[C@@H](S1)CCCCC(OC)=O)NC(c2ccccc2)=O,0.0
36024,CO-ADD:0246113,4.91,c12c(c3c(NC(c(cc4)ccc4N(CC)CC)O1)cccc3)nnc(SCC)n2,0.0
36025,CO-ADD:0241207,4.91,N1(c2cccc(Cl)c2C)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(cccc4[N+](=O)[O-])c4,0.0
36026,CO-ADD:0242216,4.91,n1(Cc2ccccc2)c3c(c(CC)c1NN=Nc(cc4)ccc4[N+](=O)[O-])cccc3.Cl,0.0
36027,CO-ADD:0242847,4.91,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c(cc4)ccc4Cl)n1,0.0
36028,CO-ADD:0242637,4.91,C1(=Cc(cc(Br)cc2Br)c2OC1=O)C(=O)N3CCSC3c4ccccc4,0.0
36029,CO-ADD:0241642,4.91,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c(cc4)ccc4Br)n1,0.0
36030,CO-ADD:0241756,4.91,C12(c3c(NC1=O)cccc3)C(C(=O)OCc4ccccc4)=C(COC)OC(N)=C2C(OC)=O,0.0
36031,CO-ADD:0244431,4.91,c(cc1)(ccc1OCCN)F.Cl,0.0
36032,CO-ADD:0244357,4.91,C1(C(=O)Nc2cccc(C)c2)C(C(O)=O)C3\C(=C(/C)\C)\C1C=C3,0.0
36033,CO-ADD:0245998,4.91,n1(c2c(n3)cccc2)c3S\C(=C\c4cc(Br)ccc4OCc5ccccc5)\C1=O,0.0
36034,CO-ADD:0240543,4.91,c1(C(=O)Oc2ccccc2\C=N\c3cccc(cccc4)c34)c(Cl)c5c(cccc5)s1,0.0
36035,CO-ADD:0240150,4.91,C(=O)(OC(C)(C)C)NC(Cc1ccccc1)C(=O)Nc2ccccc2,0.0
36036,CO-ADD:0240637,4.91,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)\N=C\c4c(cccc4F)Cl)n1,0.0
36037,CO-ADD:0240491,4.91,C1(=S)N(c2ccc(cc2)OC)C3(\C(=N\c4c(C)ccc(Cl)c4)\N1)CCCCC3,0.0
36038,CO-ADD:0242833,4.91,C(C#N)(C1c2ccc(cc2)SC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
36039,CO-ADD:0240456,4.91,C(C#N)(C1c2scc(Br)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
36040,CO-ADD:0244483,4.91,C(C(OC)=O)(=C(C)NC(=C1C(OCC)=O)C)C1c2ccco2,0.0
36041,CO-ADD:0241476,4.91,c1(N(CC2)CCO2)nc(N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])nc(Nc(cc5)ccc5F)n1.CC(=O)O,0.0
36042,CO-ADD:0241771,4.91,c1(C#N)c(SCC(=O)c2ccc(cc2)OC)nsc1SCC(=O)c3ccc(cc3)OC,0.0
36043,CO-ADD:0245447,4.91,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc(c5[N+](=O)[O-])N(C)C)c5,0.0
36044,CO-ADD:0246208,4.91,S(=O)(=O)(Nc(cc1)ccc1NC(COc(ccc(c2C)C)c2)=O)c3c(Cl)cc(c(Cl)c3)Cl,0.0
36045,CO-ADD:0242848,4.91,c1(c2ccc(cc2Cl)Cl)c(C#N)c(N)nc(CCN(C)C3)c13,0.0
36046,CO-ADD:0245835,4.91,c(c(C)nc(c1C#N)SC)(C(=O)Nc2ccccc2)c1c3ccc(cc3)OC,0.0
36047,CO-ADD:0240536,4.91,N1(c2c(C)cc(cc2C)C)C(=O)C3C(C4\C(=C(/C)\C)\C3C=C4)C1=O,0.0
36048,CO-ADD:0242352,4.91,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCc(cc3)ccn3)c4cccs4,0.0
36049,CO-ADD:0240551,4.91,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(O)C(N2c4ccc(cc4)C)=O,0.0
36050,CO-ADD:0242693,4.91,c(ccc(c1C2=O)C(=O)N2[C@@H]3[C@@H](C4)O[C@H](\C(=N/NC(=O)c(c5)cc(cc5[N+](=O)[O-])[N+](=O)[O-])\C3)O4)c1,0.0
36051,CO-ADD:0242360,4.91,c1(C#N)c(c2ccccc2)cc(nc1SCCN3CCCCCC3)c4cccs4,0.0
36052,CO-ADD:0241515,4.91,n1c(csc1N)CC(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2C(N)=O,0.0
36053,CO-ADD:0240784,4.91,c1(ccc(\C=N\NC(=O)c2ccccc2C)o1)Sc3ccccn3,0.0
36054,CO-ADD:0240768,4.91,C1(=C(CCC1)NNC(=O)c2cccc(Br)c2)C(=O)C(F)(F)F,0.0
36055,CO-ADD:0240274,4.91,c12c(ccc(OC)c1OC)C(OC2=O)OCCC,0.0
36056,CO-ADD:0245479,4.91,c1(c(O)c(\C=N\Nc(nc(NCc2ccccc2)nc3N(C)C)n3)cc(c1)[N+](=O)[O-])[N+](=O)[O-].Cl,0.0
36057,CO-ADD:0240871,4.91,S(=O)(=O)(c(cc1)ccc1N2C(=O)CCC2=O)Oc(cc3)ccc3Cl,0.0
36058,CO-ADD:0241772,4.91,c(C(=O)c1ccc(cc1)OC)(sc(c23)snc2SCC(=O)c4ccc(cc4)OC)c3N,0.0
36059,CO-ADD:0241737,4.91,c1(C#N)c(c2cccc(F)c2)cc(nc1SCC(=O)C(C)(C)C)c3ccccc3,0.0
36060,CO-ADD:0245821,4.91,C(C)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc(c(C)ccc5[N+](=O)[O-])c5)C24,0.0
36061,CO-ADD:0241699,4.91,c1(C#N)c(C)c(CC)c(nc1SCC(OC=C)=O)C,0.0
36062,CO-ADD:0241692,4.91,C(C#N)(C1c2cccc(Cl)c2)=C(N)SC(N)=C1C#N,0.0
36063,CO-ADD:0241138,4.91,C1(C2=O)C(C(C=C3)OC13CNC(=O)c4cc(OC)cc(OC)c4)C(N2c(cc5)ccc5[N+](=O)[O-])=O,0.0
36064,CO-ADD:0241701,4.91,n1c(ccc(C#N)c1SCc2cccc(C)c2)c3cccs3,0.0
36065,CO-ADD:0241882,4.9,C(=C/c(cc(Br)cc1[N+](=O)[O-])c1O)(/C2=O)\C(=O)NC(=O)N2,0.0
36066,CO-ADD:0241501,4.9,n1c(csc1N)CC(=O)N\N=C(/C)\CC(=O)Nc2c(C)cc(cc2C)C,0.0
36067,CO-ADD:0245019,4.9,c(CC(C(NCCCl)=O)NC(=O)Oc1ccccc1)(c2c([nH]3)cccc2)c3,0.0
36068,CO-ADD:0244922,4.9,c(OCCNC(=O)N)(cc1)ccc1C(=O)O,0.0
36069,CO-ADD:0244932,4.9,C(O)(C1O)N(C(CC)CO)C(=S)N1c(c2)cccc2,0.0
36070,CO-ADD:0244946,4.9,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
36071,CO-ADD:0240447,4.9,N1(\N=C\c(ccc(c2OC)OCc(cc3)ccc3[N+](=O)[O-])c2)C(=O)C4C(C5C=CC4CC5)C1=O,0.0
36072,CO-ADD:0244488,4.9,C(=O)(Oc(cc1)ccc1OCc2ccccc2)c3ccco3,0.0
36073,CO-ADD:0240811,4.9,n1(c2cccc(cccc3)c23)nnnc1SCC(=O)Nc4ccccc4Oc5ccccc5,0.0
36074,CO-ADD:0240735,4.9,C(/C#N)(=C/c(cc1)ccc1OC)\C(N)=O,0.0
36075,CO-ADD:0240730,4.9,C(=O)(N\N=C\c(cc1)ccc1OC)c2ccc(cc2)NC(CCC)=O,0.0
36076,CO-ADD:0242639,4.9,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)Nc3scc(c(cccc4[N+](=O)[O-])c4)n3,0.0
36077,CO-ADD:0242854,4.9,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cccc4C(F)(F)F)c4,0.0
36078,CO-ADD:0245760,4.9,C(C#N)(C1c2scc(Br)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)F,0.0
36079,CO-ADD:0244374,4.9,c1(ccc(cc1Cl)Cl)C(=O)Oc(cc2)ccc2C(=S)N(CC3)CCO3,0.0
36080,CO-ADD:0245063,4.9,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
36081,CO-ADD:0241695,4.9,c1(C#N)c(SCC(OC)=O)nsc1SCC(OC=C)=O,0.0
36082,CO-ADD:0241072,4.9,C1(c2ccccc2)=C(C1C(=O)Nc3ccc(cc3C)C)c4ccccc4,0.0
36083,CO-ADD:0245413,4.9,C1(Nc(c(Nc(cc2)ccc2F)nc(c34)non3)n4)=C(C)N(N(c5ccccc5)C1=O)C,0.0
36084,CO-ADD:0245060,4.9,n1(c(C)c(nn1)\C(\C)=N\N=C\c(cc(I)cc2I)c2O)c3nonc3N,0.0
36085,CO-ADD:0246214,4.9,N(C(O)=CC(N1)=O)=C1c2ccccc2,0.0
36086,CO-ADD:0241332,4.9,C(O)(C(C)C1)(CC(N1C)C)CC(O)(c2ccccc2)c3ccccc3,0.0
36087,CO-ADD:0240524,4.9,c(non1)(nc(Nc2ccccc2F)c(n3)Nc4ccccc4F)c13,0.0
36088,CO-ADD:0240329,4.9,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c3ccc(cc3Cl)Cl,0.0
36089,CO-ADD:0240357,4.9,[N+](=O)([O-])c1ccccc1C(=O)NN\C(\C)=C\C(c2ccccc2)=O,0.0
36090,CO-ADD:0240412,4.9,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
36091,CO-ADD:0240968,4.9,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(Cc(cc2)ccc2O)C(=O)N\N=C\c(ccc(c3OCC)O)c3)c1,0.0
36092,CO-ADD:0240306,4.9,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(cc3)ccc3N(C)C)\C1=O)=O,0.0
36093,CO-ADD:0240657,4.9,n1(nnc(C(OCC)=O)c1CSc2sc(c3n2)cccc3)c4nonc4N,0.0
36094,CO-ADD:0245796,4.9,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SC)c3,0.0
36095,CO-ADD:0242015,4.9,c(CC(NC(=O)Oc1ccccc1)C(=O)Nc2cccc(C)c2)(c3c([nH]4)cccc3)c4,0.0
36096,CO-ADD:0242010,4.9,S(=O)(=O)(N(CC1)CCO1)c(c(Cl)cc(c2C(=O)Nc3ccccc3)Cl)c2,0.0
36097,CO-ADD:0241553,4.9,N1(c(cc2)ccc2C(NCCO)=O)C(=O)c(c3C1=O)cccc3,0.0
36098,CO-ADD:0245798,4.9,C12(c3c(NC1=O)cccc3)SC(C(=O)N2c4ccc(cc4)F)C,0.0
36099,CO-ADD:0241095,4.9,s1c(C(C)(C)C)nnc1NC(=O)c2ccc(cc2)C,0.0
36100,CO-ADD:0245752,4.9,C(C(F)(F)F)(N1)=C(\C=N\C2CCCCC2)C(N1c(cc3)ccc3[N+](=O)[O-])=O,0.0
36102,CO-ADD:0244578,4.9,N1(c2cccc(c2)C(=O)Nc(ccc(c34)cccc3)c4)C(=O)c(c5C1=O)cccc5[N+](=O)[O-],0.0
36103,CO-ADD:0244401,4.9,N1(N=C(CC1(O)c2ccc(cc2)Cl)C)C(=O)c3ccccc3N,0.0
36104,CO-ADD:0244389,4.9,N1(c2ccccc2C)C(=O)c(c3C1=O)ccc(c3)C(=O)OCC(c4ccccc4)=O,0.0
36105,CO-ADD:0244557,4.9,N1(C(c(cc2)ccn2)=O)N=C(CC1(C)O)C,0.0
36106,CO-ADD:0245502,4.9,c1(\C=N\NC(=O)c(cccn2)c2)cc(I)c(cc1OCc3ccc(cc3Cl)Cl)I,0.0
36107,CO-ADD:0245327,4.9,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2)ccc2OC)n3c(cccc3)c1S(CCC)(=O)=O,0.0
36108,CO-ADD:0245304,4.9,N1(c2ccc(cc2)CC)C(c3ccc(cc3)OC)Nc(c4C1=O)cccc4,0.0
36109,CO-ADD:0244539,4.9,[N+](=O)([O-])c1ccc(cc1)NC(CC)C(=O)OC(CC2)CCC2C(C)(C)C.Br,0.0
36110,CO-ADD:0244618,4.9,C(O)(c(cccc1C(F)(F)F)c1)(c(cccc2C(F)(F)F)c2)C(=O)NNc(cc3)ccc3C,0.0
36111,CO-ADD:0240378,4.9,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c3ccc(cc3)Cl)c4nonc4N,0.0
36112,CO-ADD:0240436,4.9,c1(nonc1N)\C(\N(C)C)=N\OCC,0.0
36113,CO-ADD:0240890,4.9,c1(c(C)non1)N(Cc(ccc(c2[N+](=O)[O-])OC)c2)N=Nc3c(C)non3,0.0
36114,CO-ADD:0241357,4.89,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)Nc3nnc(c4ccccc4)s3,0.0
36115,CO-ADD:0241268,4.89,c1(c2ccc(cc2)\N=C\c(cc3)ccc3SC)sc4c(ccc(C)c4)n1,0.0
36116,CO-ADD:0244729,4.89,S(c1ccccc1)(=O)(=O)N(CC2)CCN2C(CC(N3CCc4ccccc4)=O)C3=O,0.0
36117,CO-ADD:0245713,4.89,S(c1ccccc1)(=O)(=O)Nc(cc2)ccc2C(O)=O,0.0
36118,CO-ADD:0241734,4.89,C1(C#N)(C#N)C(c2ccc(cc2F)F)C3C(C(C#N)=C1N)=CCCC3,0.0
36119,CO-ADD:0245966,4.89,C(=O)(c1ccccc1Sc2ccccc2C#N)Nc3sccn3,0.0
36120,CO-ADD:0244272,4.89,C(=O)(C(NCCCCCCCC)=O)Nc1ccc(cc1C)I,0.0
36121,CO-ADD:0245743,4.89,c1(SCC(=O)Nc(cc2)ccc2CC)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
36122,CO-ADD:0242180,4.89,n(nnc1C(=O)N\N=C\c(ccc(c2OC)OC)c2)(c1COC)c3nonc3N,0.0
36123,CO-ADD:0241273,4.89,N1(c2ccccc2)C(=O)\C(=C\c(c(cccc3)c3n4C(C)=O)c4)\C(NC1=S)=O,0.0
36124,CO-ADD:0244990,4.89,C(Nc1ccccc1)(C(OCC)=O)(C(F)(F)F)NC(=O)c(cccc2C(F)(F)F)c2,0.0
36125,CO-ADD:0244390,4.89,S(=O)(=O)([O-])c1c(ccc(c1)[N+](=O)[O-])\C=C\c2ccc(cc2S(=O)(=O)[O-])NC(C)=O,0.0
36126,CO-ADD:0244383,4.89,c1(Cl)c(Cl)ccc(c1)NC(CCC(=O)OCC(c2ccccc2)=O)=O,0.0
36127,CO-ADD:0241049,4.89,N1(C(=O)c2ccccc2F)C(O)(c3ccccc3)CC(C(OC)=O)=N1,0.0
36128,CO-ADD:0245722,4.89,c1(Nc2cccc(OC)c2)c(c(C)nc(Nc3cccc(OC)c3)n1)[N+](=O)[O-],0.0
36129,CO-ADD:0245482,4.89,c1(N(C)C)nc(N\N=C\c(cc(Br)cc2Br)c2OC)nc(NCc3ccccc3)n1.Cl,0.0
36130,CO-ADD:0245504,4.89,c1(c(Cl)ccc(c1)c2ccc(\C=N\NC(=O)c(cccn3)c3)o2)C(O)=O,0.0
36131,CO-ADD:0245338,4.89,S(=O)(=O)(Nn(cnn1)c1)c2c(Cl)ccc(Cl)c2,0.0
36132,CO-ADD:0245077,4.89,C(=O)(Nc1ccc(cn1)Cl)c2ccc(cc2OC)SC,0.0
36133,CO-ADD:0244931,4.89,C1(C2NC(=S)N1)N(CCCO)C(=S)N2c(c3)cccc3,0.0
36134,CO-ADD:0241762,4.89,N12C(S\C(=C/c(cccn3)c3)\C1=O)=C(C(c(cccn4)c4)C(C(OCC)=O)=C2N)C#N,0.0
36135,CO-ADD:0240301,4.89,N1(c2ccc(cc2)OC)C(=O)CC(N3CCC(CC3)Cc4ccccc4)C1=O,0.0
36136,CO-ADD:0240449,4.89,C1(C(OC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(=O)N(CC3)CCO3)=S,0.0
36137,CO-ADD:0244519,4.89,C(=O)(c1ccccc1C)Nc(cccc2C(=O)N\N=C/c3cc(OC)ccc3O)c2,0.0
36138,CO-ADD:0242829,4.89,C(C#N)(C1c2ccc(cc2)OCC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
36139,CO-ADD:0240460,4.89,N1(C(c(cccc2[N+](=O)[O-])c2)CC(c3cc(C)ccc3C)=N1)c4scc(c5cc(C)ccc5C)n4.Br,0.0
36140,CO-ADD:0242227,4.89,C(=O)(N\N=C\c1cc(Br)ccc1O)c(cccn2)c2,0.0
36142,CO-ADD:0242818,4.89,C(C#N)(C1c2ccccc2)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
36143,CO-ADD:0245470,4.89,c1(c(O)c(\C=N\NC(=O)c2nonc2N)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
36144,CO-ADD:0244666,4.89,N1(CN(CC)CC)c(cccc2)c2\C(=N\c(cccc3C(F)(F)F)c3)\C1=O,0.0
36145,CO-ADD:0245474,4.89,c1(N(C)C)nc(N\N=C\c2ccccc2Cl)nc(Nc(cc3)ccc3F)n1.Cl,0.0
36146,CO-ADD:0241010,4.89,N1(c(cc2)ccc2C(=O)Oc(cc3)ccc3Cl)C(=O)CCC1=O,0.0
36147,CO-ADD:0241018,4.89,n1(nc(cc1O)NC(=O)c2cccc(N)c2)c3c(Cl)cc(cc3Cl)Cl,0.0
36148,CO-ADD:0244300,4.89,C(=O)(Nc(cc1)ccc1C(C)=O)\C=C\c(ccc(c2OC)OC)c2,0.0
36149,CO-ADD:0241778,4.89,C1(C#N)(C#N)[C@H](c(cccn2)c2)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5ccc(cc5)OC,0.0
36150,CO-ADD:0241336,4.89,[N+](=O)([O-])c1ccc(cc1C)C(=O)Nc(cccc2NC(c3ccccc3)=O)c2,0.0
36151,CO-ADD:0242787,4.89,N1=C(c2ccccc2)CC(c(cc3)ccc3N(C)C)N1c4ccccc4,0.0
36152,CO-ADD:0244860,4.89,C(N(CC)C(=O)N1CC)(C1N2)N3C(S\C(=C/c(cc4)ccc4[N+](=O)[O-])\C3=O)=N2,0.0
36153,CO-ADD:0244325,4.89,c1(cc(c2ccccc2)c3c(ccc(Br)c3)n1)N(C(C)=O)\N=C\c(ccc4[N+](=O)[O-])o4,0.0
36154,CO-ADD:0245419,4.89,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(=O)Nc3ccccc3)o2,0.0
36155,CO-ADD:0241958,4.89,c1(Nc2ccccc2F)[nH]nc(C)c1[N+](=O)[O-],0.0
36156,CO-ADD:0240538,4.89,c12c(non1)N\C(=N\N=C\c(c(O)ccc3[N+](=O)[O-])c3)\C(Nc(cc4)ccc4I)=N2,0.0
36157,CO-ADD:0245356,4.89,c(Nc1ccccc1)(nc(N\N=C\c(ccc(c2OCC)OCc3ccccc3)c2)nc4Nc5ccccc5)n4,0.0
36158,CO-ADD:0244585,4.88,C(=O)(Nc(ccc(c1Cl)OC)c1)Nc(cc2)c(OC)cc2c(cc3)cc(c3NC(=O)Nc(ccc(c4Cl)OC)c4)OC,0.0
36159,CO-ADD:0240172,4.88,C(=O)(Nc1ccccc1)C(=O)NCC(O)c2ccccc2,0.0
36160,CO-ADD:0242591,4.88,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc2ccccc2OC)Cl,0.0
36161,CO-ADD:0240899,4.88,C(/Cn(c1)ncn1)(=N/NC(=O)c2ccc(cc2F)F)\c3ccc(cc3F)F,0.0
36162,CO-ADD:0240620,4.88,c(Cc(c(OCC)ccc1C(C)=O)c1)(c(O)nc(n2)S)c2O,0.0
36164,CO-ADD:0240602,4.88,n1(nnc(C(OCC)=O)c1CNc2ccccc2)c3nonc3N,0.0
36165,CO-ADD:0245658,4.88,N1(c2ccc(cc2)CC)C(c3ccc(cc3)C)Nc(c4C1=O)cccc4,0.0
36166,CO-ADD:0242924,4.88,C(=N\c(cc1)ccc1C)(/c2c3cccc2)\c(cccn4)c34,0.0
36168,CO-ADD:0244871,4.88,[C@@]([H])(N(CC)C(=O)N1CC)([C@@]1([H])N2)N3C(S[C@@]4([C@H](c(c5)ccc([N+](=O)[O-])c5)CN(C)[C@@]4(C6=O)c(cc7)c(cc7)N6)C3=O)=N2,0.0
36169,CO-ADD:0241527,4.88,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
36170,CO-ADD:0241801,4.88,c1([N+](=O)[O-])c(n[nH]c1c(cnn2[N+](=O)[O-])c2)c(cnn3[N+](=O)[O-])c3,0.0
36171,CO-ADD:0241555,4.88,C(N)(=O)c1ccc(cc1)\N=C\c(ccc(c2O)OC)c2,0.0
36172,CO-ADD:0242740,4.88,N1(CN2CCCCC2)c3c(OC1=O)cccc3,0.0
36173,CO-ADD:0246003,4.88,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(cc3OCC)cc(c3O)I,0.0
36174,CO-ADD:0245396,4.88,c1(N2CCCCC2)nc(N\N=C\c3ccccc3F)nc(Nc(cc4)ccc4F)n1.Cl,0.0
36176,CO-ADD:0244866,4.88,C(N(CC)C(=O)N1CC)(C1N2)N3C(S\C(=C/c(c(F)c4)ccc4)\C3=O)=N2,0.0
36177,CO-ADD:0242146,4.88,C(=C\c1ccccc1)(/NC(C)=O)\C(=O)NC(C)c2ccc(cc2)CCBr,0.0
36178,CO-ADD:0240566,4.88,N(c1c2cccc1)=C(c3ccc(cc3)Br)CC(S2)c4ccccc4,0.0
36179,CO-ADD:0244801,4.88,c1(ccc(cc1OC)SC)C(=O)NC2CCCCCCC2,0.0
36180,CO-ADD:0245381,4.88,c1(nonc1OC)N(Cc2ccc(cc2Cl)Cl)N=Nc3nonc3OC,0.0
36181,CO-ADD:0242131,4.88,N1(CC(OCC(=O)Nc(cc2)ccc2S(N)(=O)=O)=O)C(=O)CCC1=O,0.0
36182,CO-ADD:0242199,4.88,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n1,0.0
36183,CO-ADD:0244738,4.88,n12c(c3c(cccc3)CC1(C)C)nnc2c4ccccc4C,0.0
36184,CO-ADD:0245528,4.88,C(/CC1C)(=N/NC(CSCC(=O)Nc2ccccc2)=O)\c3c(C1)cc(OC)cc3,0.0
36185,CO-ADD:0241629,4.88,c12c(nnc(SCC(=O)Nc3sc(c4c3C#N)CCCC4)n1)c5c(cccc5)n2C,0.0
36186,CO-ADD:0240228,4.88,c12c(c3c(cccc3)c(cccc4)c14)nc(ccc5C(NCCCCCCCC)=O)c(c5)n2,0.0
36187,CO-ADD:0246134,4.88,c1(c2c(s3)CCCC2)c3NC(c4cc(Br)ccc4OC(c5ccccc5)=O)NC1=O,0.0
36188,CO-ADD:0242712,4.88,c(cc1)(ccc1c(cc2)ccn2)N(C)C,0.0
36189,CO-ADD:0242795,4.88,n1(nnc(C(=O)N\N=C(\C2)/c3c(CC2)cccc3)c1CN4CCCCC4)c5nonc5N,0.0
36190,CO-ADD:0242742,4.88,N(=C(N\N=C\c(cc1)ccc1Br)NN=C2Cc3ccccc3)C2=O,0.0
36191,CO-ADD:0244152,4.88,C(=O)(N\N=C\c(cc1OC)cc(c1OC)OC)C(=O)Nc(cc2)ccc2F,0.0
36192,CO-ADD:0242635,4.88,C(F)(F)(COC(CCC(=O)Nc1cccc(F)c1)=O)C(F)F,0.0
36193,CO-ADD:0241773,4.88,C1(C#N)(C#N)[C@@H](c2cccc(cccc3)c23)[C@@H](N4[C@@]1([H])c5c(cccc5)C=C4)C(=O)C(C)(C)C,0.0
36194,CO-ADD:0246119,4.88,N1(C(=O)c(c2C1=O)ccc(c2)C(=O)Nc3cccc(C)c3C)N4C(=O)c5c(cccc5)C4=O,0.0
36195,CO-ADD:0245422,4.88,c(C#N)(c(\C(\C#N)=C\c(cc1)ccc1C(C)C)nn2c3ccccc3)c2N,0.0
36196,CO-ADD:0241156,4.88,P(=O)(Oc1cccc(C)c1)(Oc2cccc(C)c2)N\N=C\c(ccc(c3Br)OC)c3,0.0
36197,CO-ADD:0242021,4.88,C1(C(C)=O)=C(Nc(cc2)ccc2Br)CC(C)(O)C(C(C)=O)C1c3ccccc3,0.0
36198,CO-ADD:0245523,4.88,C12(c3ccccc3)C(=O)C(C(c4ccc(cc4)OC)=C1c5ccc(cc5)OC)(C(C2C6=O)C(N6c7ccccc7)=O)c8ccccc8,0.0
36199,CO-ADD:0244572,4.87,C(OCC)(COc(cc1)ccc1Br)=O,0.0
36200,CO-ADD:0241247,4.87,c1(c2cc(OC)c(OC)c1)C(=O)OC(c(cc3)ccc3[N+](=O)[O-])=N2,0.0
36201,CO-ADD:0245383,4.87,c1(SC)sc2c(ccc(c2)NC(CSc3ccccn3)=O)n1,0.0
36202,CO-ADD:0242463,4.87,C12(c3c(cccc3)C(=NN1c4ccccc4)c(cc5)ccc5C(C)C)SC(=NN2c(cc6)ccc6[N+](=O)[O-])C(C)=O,0.0
36203,CO-ADD:0242584,4.87,S(=O)(=O)(NCc1ccco1)c2ccc(c(cccc3)c23)OCC,0.0
36204,CO-ADD:0242316,4.87,c1(\N=C\c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2O)c(c3ccc(c(OC)c3)O)nc(cccc4)n14,0.0
36205,CO-ADD:0242438,4.87,c1(ccccc1OCC)C(=O)NCC(NN)=O,0.0
36206,CO-ADD:0242535,4.87,C(=C/c1ccccc1)(/NC(c2ccccc2)=O)\C(=O)N\N=C(/C)\c3cccc(Br)c3,0.0
36207,CO-ADD:0244604,4.87,N1(c(cc2)ccc2C(C)=O)C(=O)c(c3C1=O)ccc(C(=O)c(ccc(c4C5=O)C(N5c(cc6)ccc6C(C)=O)=O)c4)c3,0.0
36208,CO-ADD:0240225,4.87,S(=O)(=O)(c(cc1)ccc1N2C(=O)CCC2=O)N(CC3)CCN3c4ccccc4,0.0
36209,CO-ADD:0242523,4.87,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)N1)=C\c3cc(Br)ccc3OC,0.0
36210,CO-ADD:0240287,4.87,N1(C(c(cccc2[N+](=O)[O-])c2)CC(c3cc(C)ccc3C)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N(CC)CC)n4.Br,0.0
36211,CO-ADD:0242592,4.87,[C@@]1(C)(CC2)C(C[C@@]([H])(CCCC3)[C@]13C(C)=O)C(C24)CCC(=C\C(\CC5)=N\OC(C)=O)[C@@]45C,0.0
36212,CO-ADD:0244892,4.87,CO[C@H]1NC(=O)N(CCC2)[C@@H]1O2,0.0
36213,CO-ADD:0242753,4.87,c1(cc(Cl)c(cc1C(O)=O)Cl)C(=O)Nc(cc2)ccc2C(OCCCC)=O,0.0
36214,CO-ADD:0244176,4.87,C(/c1c(N2)cccc1)(=N/c3ccc(cc3C(c4ccccc4)=O)Cl)\C2=O,0.0
36215,CO-ADD:0241994,4.87,N1(c2ccccc2Br)C(=O)C(C3C1=O)C4C5(C3C=C4)CC5,0.0
36216,CO-ADD:0242675,4.87,n1c2c(oc1c(cccc3NC(=O)c4ccccc4F)c3)cc(C)c(C)c2,0.0
36217,CO-ADD:0241980,4.87,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc2c(OC)cc(c(OC)c2)Cl,0.0
36218,CO-ADD:0245335,4.87,C(C#N)(C1c2ccc(cc2)CC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
36219,CO-ADD:0242944,4.87,C1(F)(C2(CCCCC2)ON=C1c3ccccc3)[N+](=O)[O-],0.0
36220,CO-ADD:0241219,4.87,C1(=S)N\C(\C2(CCCCC2)N1c3ccc(cc3Br)C)=N/c4cccc(C)c4,0.0
36221,CO-ADD:0241743,4.87,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccccc3)C2c4cccc(F)c4,0.0
36222,CO-ADD:0245755,4.87,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)Br.C(=O)O,0.0
36223,CO-ADD:0242803,4.87,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(cccc2OC(=O)c3ccccc3Cl)c2,0.0
36224,CO-ADD:0242051,4.87,N1(CC(=O)Nc2c(C)non2)C(=O)c3c(cccc3)C1=O,0.0
36225,CO-ADD:0242279,4.87,C(=C/c1ccccc1Cl)(/C2=O)\Sc(c23)cccc3,0.0
36226,CO-ADD:0242239,4.87,c1(c(\C=N\NC(=O)Nc2ccccc2)ccc(OC(C)=O)c1OC)[N+](=O)[O-],0.0
36227,CO-ADD:0242513,4.87,N1(CN(CC)CC)C(=O)C=CC(O)=N1,0.0
36228,CO-ADD:0246165,4.87,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c3cc(I)cc(I)c3OCc4ccccc4)\N2c5ccccc5,0.0
36229,CO-ADD:0240877,4.87,N1(c(cc2)ccc2S(=O)(=O)N3CCC(CC3)C)C(=O)c(c4C1=O)cccc4,0.0
36230,CO-ADD:0244803,4.87,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2[N+](=O)[O-])\C(N1c3ccc(cc3)OCC)=O,0.0
36231,CO-ADD:0242484,4.87,C(=N/NC(=O)c1ccccc1Cl)(/C2=O)\c3c(N2)c(ccc3Cl)C,0.0
36232,CO-ADD:0242536,4.87,C(=C/c1ccccc1)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3ccccc3OCC(O)=O,0.0
36233,CO-ADD:0240481,4.87,S(=O)(=O)(NCC1CCCO1)c2c(C(C)C)cc(cc2C(C)C)C(C)C,0.0
36234,CO-ADD:0246163,4.87,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5)OCC,0.0
36235,CO-ADD:0240171,4.87,c1(c2ccco2)c(C#N)c(oc1c3ccoc3)\N=C\c(cc(Br)cc4Br)c4O,0.0
36236,CO-ADD:0228503,4.87,C12(c3c(NC1=O)ccc(Cl)c3)C(C#N)=C(N)OC(C)=C2C(OC)=O,0.0
36237,CO-ADD:0223074,4.87,N1(C(C)=O)CC(N(CNc(cc2)ccc2C)C1=S)=O,0.0
36238,CO-ADD:0230458,4.87,c(C(OCCCCCCCCCCCCCC)=O)(c(C)nc(c1C(OCCCCCCCCCCCCCC)=O)C)c1,0.0
36239,CO-ADD:0223635,4.87,C(Cl)(Cl)(Cl)C(=O)Nc(ccc(c1Cl)Cl)c1,0.0
36240,CO-ADD:0228339,4.87,C(=O)(c1ccc(cc1)Br)NCc(cccn2)c2,0.0
36241,CO-ADD:0223588,4.87,C12=C(c3c(cccc3)CC14CCCC4)N=C(CN5CCCCC5)NC2=O,0.0
36242,CO-ADD:0223470,4.87,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c(cc2OC)cc(c2OC)OC,0.0
36243,CO-ADD:0230835,4.87,[N+](=O)([O-])\N=C(/N)\N\N=C(\C)/C(O)=O,0.0
36244,CO-ADD:0235910,4.87,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(=O)Nc3cccc(Cl)c3C,0.0
36245,CO-ADD:0230782,4.87,c1(ccc(cc1O)OCC=C)\C=N\c(cc2)ccc2Cl,0.0
36246,CO-ADD:0235483,4.87,N1(c2cccc(c2)c(csc3N4C(c(cccc5[N+](=O)[O-])c5)CC(c6cc(C)ccc6C)=N4)n3)C(=O)c7c(cccc7)C1=O.Br,0.0
36247,CO-ADD:0235712,4.87,N(\C(=C/c1ccc(cc1Cl)Cl)\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
36248,CO-ADD:0235381,4.87,n1(c2c(nc1SCC(=O)N(C)C)cccc2)C(OC)=O,0.0
36249,CO-ADD:0235393,4.86,N1(CCCC1C(=O)Nc2ccc(cc2C)C)C(=O)OCc3ccccc3,0.0
36250,CO-ADD:0235139,4.86,c1(c(Br)cc(cc1\C=N\NC(COc(cc2)ccc2Cl)=O)Br)OC(=O)c3cccc(F)c3,0.0
36251,CO-ADD:0223337,4.86,C(=O)(NCc1ccccc1)CC(CO)NCc2ccccc2,0.0
36252,CO-ADD:0223371,4.86,C(=O)(N\N=C\c1ccccc1OCc2ccccc2F)c3ccc(cc3)C,0.0
36253,CO-ADD:0232424,4.86,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)Nc2sccn2,0.0
36254,CO-ADD:0228438,4.86,C1(OCCCO1)(C2=O)c3c(N2CC(=O)[O-])ccc(C)c3.[K+],0.0
36255,CO-ADD:0230335,4.86,c(\C=N\NC(COc1cc(C)ccc1C(C)C)=O)(cc(C)cc2\C=N\NC(COc3cc(C)ccc3C(C)C)=O)c2OC,0.0
36256,CO-ADD:0228605,4.86,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3c(cccc4C(F)(F)F)c4)C1=O,0.0
36257,CO-ADD:0230564,4.86,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)Nc2ccccc2C,0.0
36258,CO-ADD:0230385,4.86,c1(c(ccc(Br)c1)nc(c2C\C=C(\C)/Cl)C)c2S,0.0
36259,CO-ADD:0228409,4.86,C(=C/c(ccc(c1[N+](=O)[O-])Sc2sc(c3n2)cccc3)c1)(/C(=O)NC(N4)=S)\C4=O,0.0
36260,CO-ADD:0230829,4.86,C(=O)(Nc(cc1)ccc1F)C(NCCC)=O,0.0
36261,CO-ADD:0228958,4.86,c(cc(cccc1C)c1n2)(\C(=N/c3ccccc3)\c4c5cc(cc4)C)c25,0.0
36262,CO-ADD:0230836,4.86,C(=O)(N\N=C\c1cccc(OC)c1)c2ccc(cc2)C,0.0
36263,CO-ADD:0228050,4.86,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
36264,CO-ADD:0229999,4.86,C(CSCc1cccc(Br)c1)(=O)N\N=C\c(cc2)ccc2OCC(OCCSC)=O,0.0
36265,CO-ADD:0223743,4.86,c1(csc(\C=N\NC(=O)c2ccc(cc2)OCc3cccc(Br)c3)c1)[N+](=O)[O-],0.0
36266,CO-ADD:0235671,4.86,n(c1ccc(cc1)Cl)(c2c(c3C(C)=O)cc(O)cc2)c3C,0.0
36267,CO-ADD:0222957,4.86,[N+](=O)([O-])c(ccc(c1\C=N\NC(c2ccccc2)=O)OC)c1,0.0
36268,CO-ADD:0232587,4.86,N(c1ccc(cn1)Cl)C(=O)\C=C\c2ccccc2,0.0
36269,CO-ADD:0235618,4.86,N1(CCc2ccccc2)C(=O)CC(N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-])C1=O,0.0
36270,CO-ADD:0223314,4.86,[N+](=O)([O-])c(cc1)ccc1C(NCCCCCCNC(=O)c(cc2)ccc2[N+](=O)[O-])=O,0.0
36271,CO-ADD:0232167,4.86,C1(COc(c2O1)cccc2)C(=O)N\N=C\c3cc(Br)cc(Br)c3OC(=O)c(ccc(c45)OCO4)c5,0.0
36272,CO-ADD:0232347,4.86,c(C#N)(c1c2ccccc2)c(\N=C\c3ccccc3)oc1c4ccccc4,0.0
36273,CO-ADD:0232398,4.86,N1C(=O)\C(\SC1=S)=C\c(cc2)ccc2OC(C)=O,0.0
36274,CO-ADD:0222927,4.86,C(=O)(c1ccc(cc1)Cl)Nc(cc2)ccc2c3ccccc3,0.0
36275,CO-ADD:0232399,4.86,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCC(OCC)=O,0.0
36276,CO-ADD:0232379,4.86,N1C(c2ccco2)SC[C@H]1C(O)=O,0.0
36277,CO-ADD:0157051,4.86,N#CC1=C(SCC(NC2=CC(C(F)(F)F)=CC=C2)=O)N=C(N)N=C1SC,0.0
36278,CO-ADD:0157044,4.86,O=C(NC1=CC(C(F)(F)F)=CC=C1)C2=C(N)C(C(C3=CC=CS3)=CC(C4=CC=CS4)=N5)=C5S2,0.0
36279,CO-ADD:0157309,4.86,O=C(NC1=C(C=CC=C1)C(N/N=C/C2=C(O)C(CC=C)=CC=C2)=O)C3=CC=CC=C3Cl,0.0
36280,CO-ADD:0164019,4.86,OC1N(S(=O)(C2=CC=C(C)C=C2)=O)N(S(=O)(C3=CC=C(C)C=C3)=O)CC1CCCCCCC,0.0
36281,CO-ADD:0230795,4.86,S(=O)(=O)(c1ccc(cc1)C)NC(Cc(cc2)ccc2OS(=O)(=O)c3ccc(cc3)C)C(=O)N\N=C/c(cc4)ccc4Br,0.0
36282,CO-ADD:0223198,4.86,c1(cc(\C=N\NC(COc2c(C)cccc2C)=O)cc(OC)c1O)[N+](=O)[O-],0.0
36283,CO-ADD:0228685,4.86,C1(c2ccc(cc2)OC(C)=O)=Nc(c3C(=O)O1)cccc3,0.0
36284,CO-ADD:0230379,4.86,C(=O)(c1ccc(cc1)NC(=O)c2cccc(C)c2)Nc3ccccn3,0.0
36285,CO-ADD:0228644,4.86,N1(\N=C\c(cc2)ccc2Cl)C(=S)SC(C)(C)C1N(O)C(=O)NC3CCCCC3,0.0
36286,CO-ADD:0223206,4.86,C(CNc1ccccc1C)(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
36287,CO-ADD:0230227,4.86,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c(cc(I)cc3I)c3O)c2,0.0
36288,CO-ADD:0228959,4.86,c1(C(C)Cc(cc2)ccc2C(C)C)[nH]c(c3n1)cccc3,0.0
36289,CO-ADD:0228047,4.86,c(cc(C)c(c1Br)C)(\C=N\c2cc(CC)ccc2O)c1O,0.0
36290,CO-ADD:0230012,4.86,S1(=O)(=O)c2c(C(N(C)CCO)=N1)ccc(c2)[N+](=O)[O-],0.0
36291,CO-ADD:0230445,4.86,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(C(=O)c(ccc(c4C5=O)C(N5c6ccccc6OC)=O)c4)c3,0.0
36292,CO-ADD:0228049,4.86,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(F)c3,0.0
36293,CO-ADD:0228018,4.86,c(\C=N\NC(CNC(=O)c(cc1OC)cc(c1OC)OC)=O)(c(C)c(Br)c(c2C)O)c2O,0.0
36294,CO-ADD:0229983,4.86,n1(c2ccccc2)nc(c(\C=N\NC(CSCc(cc3)ccc3Cl)=O)c1Cl)C,0.0
36295,CO-ADD:0228377,4.86,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc(cccc2c3cn4c(cccc4)n3)c2,0.0
36296,CO-ADD:0228642,4.86,n1(c(C)c(nn1)\C(\C)=N\NC(Cc(cc2)ccc2[N+](=O)[O-])=O)c3nonc3N,0.0
36297,CO-ADD:0230322,4.86,c1(c(ccc(c1)[N+](=O)[O-])Oc2ccc(cc2OC)\C=N\OC)[N+](=O)[O-],0.0
36298,CO-ADD:0228937,4.85,C(=N\c1ccccc1)(/c(cccc2C)c23)\c(cc(C)cn4)c34,0.0
36299,CO-ADD:0222902,4.85,c1(cc(Br)ccc1OC)\C=N\c(cc2)ccc2c3ccc(cc3)\N=C\c4cc(Br)ccc4OC,0.0
36300,CO-ADD:0232538,4.85,n1(c2ccccc2)nc(c(\C=N\NC(=O)c(cccn3)c3)c1Cl)C,0.0
36301,CO-ADD:0223252,4.85,C(=O)(Oc1ccc(cc1\C=N\NC(COc(cc2)ccc2Cl)=O)Br)c3ccco3,0.0
36302,CO-ADD:0223370,4.85,N1C(=O)\C(\NC1=S)=C/c2c(cccc2F)Cl,0.0
36303,CO-ADD:0223004,4.85,C(=O)(N\N=C\c(cc1)ccc1C(C)C)C(=O)Nc2c(CC)cccc2CC,0.0
36304,CO-ADD:0235221,4.85,C(C#N)(C1c2ccc(cc2)Br)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
36305,CO-ADD:0231923,4.85,N(=C(/C)\c1ccc(c(OC)c1)OC)/NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
36306,CO-ADD:0232393,4.85,P(=O)(Oc(cc1)ccc1C)(Oc(cc2)ccc2C)N\N=C(\c3ccccc3)/C(c4ccccc4)=O,0.0
36307,CO-ADD:0235763,4.85,n(c1c2cccc1)c(c3ccc(cc3)OC(CCCCCCC)=O)cn2,0.0
36308,CO-ADD:0222943,4.85,[N+](=O)([O-])c(ccc(c1\C=N\c(cccc2C(O)=O)c2)OC)c1,0.0
36309,CO-ADD:0222989,4.85,N1(c2ccccc2C)CC(CC1=O)C(=O)Nc(cc3)ccc3Cl,0.0
36310,CO-ADD:0231885,4.85,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2cccc(c2)\C=N\c3cc(C)ccc3O)c1,0.0
36311,CO-ADD:0156997,4.85,N#CC1=C(SCC(NCC2=CC=CC=C2)=O)N=C(CC)C(C)=C1,0.0
36312,CO-ADD:0223151,4.85,N(\C(=C/c1cccc(OC)c1)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
36313,CO-ADD:0229962,4.85,c12n(ncn1\N=C\c3ccc(cc3Cl)Cl)c(nn2)SCc(cc4)ccc4[N+](=O)[O-],0.0
36314,CO-ADD:0228561,4.85,N1(c2ccc(cc2)OCC)C(=O)CC(N(C)Cc3ccccc3)C1=O,0.0
36315,CO-ADD:0223238,4.85,c1(ccc(C(=O)Oc2ccc(cc2\C=N\NC(COc(ccc(c3C)C)c3)=O)Br)o1)[N+](=O)[O-],0.0
36316,CO-ADD:0228844,4.85,C(=O)(C\C(\C)=N\NC(CCCC)=O)Nc1cc(C)ccc1OC,0.0
36317,CO-ADD:0223619,4.85,C(COc(cc1)ccc1C)(=O)N\N=C\c2ccccc2Cl,0.0
36318,CO-ADD:0157761,4.85,[O-][N+](C1=CC(/C=N/NC(C2=CC(Br)=CC=C2)=O)=C(F)C=C1)=O,0.0
36319,CO-ADD:0157758,4.85,[O-][N+](C1=CC=CC=C1N2CC(NCC2)C)=O.Cl,0.0
36320,CO-ADD:0157854,4.85,[O-][N+](C1=C(O)C(/C=N/C2=CC=C(C=C2)C(O)=O)=CC(C)=C1)=O,0.0
36321,CO-ADD:0232582,4.85,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c2ccccn2,0.0
36322,CO-ADD:0235418,4.85,c(C(=O)Nc1ccc(cn1)C)(sc(c23)nc(cc2C(F)(F)F)c4cccs4)c3N.c(C(=O)Nc5ccc(cn5)C)(sc(c67)nc(cc6c8cccs8)C(F)(F)F)c7N,0.0
36323,CO-ADD:0230844,4.85,n1(nc(cc1O)C)\C(\N)=N\[N+](=O)[O-],0.0
36324,CO-ADD:0230388,4.85,N1(c2c(C)ccc(Br)c2)C(=O)c(c(cc(c3C4=O)C(N4c5c(C)ccc(Br)c5)=O)C1=O)c3,0.0
36325,CO-ADD:0232044,4.85,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(ccc(c4Cl)OC)c4,0.0
36326,CO-ADD:0230645,4.85,c(cc(cccc1C)c1n2)(c23)\C(=N/C4CCCCC4)\c(c35)cc(cc5C)C,0.0
36327,CO-ADD:0222935,4.85,C(c1ccccc1)(=O)Oc(cc2)ccc2C(C)=O,0.0
36328,CO-ADD:0235145,4.85,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)cc(c3OC(=O)c4ccccc4Cl)OC,0.0
36329,CO-ADD:0232643,4.85,N1(\N=C\c(c(OC)ccc2[N+](=O)[O-])c2)C(C)=Nc(c3C1=O)cccc3,0.0
36330,CO-ADD:0232670,4.85,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)S\C(\NCC)=N/CC,0.0
36331,CO-ADD:0223414,4.85,N1(CCc(cccc2)c12)C(=O)c3cc(F)c(cc3Cl)F,0.0
36332,CO-ADD:0223428,4.85,C(=O)(NNC(CCC(=O)OC1CCCC(C)C1)=O)c(cccn2)c2,0.0
36333,CO-ADD:0232135,4.85,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
36334,CO-ADD:0232775,4.85,n1(c(C)c(nn1)\C(\C)=N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-])c3nonc3N,0.0
36335,CO-ADD:0232766,4.85,N1(c(cccc2C(F)(F)F)c2)C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(/C)\C,0.0
36336,CO-ADD:0223046,4.85,N1(CNc(cc2)ccc2Cl)C(=O)\C(\NC1=S)=C/c(cc3)ccc3Br,0.0
36337,CO-ADD:0232616,4.84,C(=O)(Nc(cccn1)c1)\C=C\c2ccccc2,0.0
36338,CO-ADD:0232751,4.84,C1(C(OCCOC)=O)=C(C)NC(=O)NC1c2ccc(cc2)Br,0.0
36339,CO-ADD:0157544,4.84,O=C(C1[C@@H](C=C2)[C@@H]3[C@@H](C3)[C@@H]2C41)N(NC(C(C=C5)=CC=C5Cl)=O)C4=O,0.0
36340,CO-ADD:0157888,4.84,[O-][N+](C1=CC(Cl)=CC(/C=N/C2=CC=C(C=C2)C(OC)=O)=C1O)=O,0.0
36341,CO-ADD:0157205,4.84,O=C(NCC1=CC=CO1)NC2=CC=C(OCCCCCCCCCC)C=C2,0.0
36342,CO-ADD:0228538,4.84,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)OC(C)=C2C(=O)OC(C)(C)C,0.0
36343,CO-ADD:0232660,4.84,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c3ccccc3OC)=O,0.0
36344,CO-ADD:0223614,4.84,c1(c(cccc1Cl)Cl)\C=N\c(cc2)ccc2Cl,0.0
36345,CO-ADD:0223607,4.84,C(=O)(Nc(cc1)ccc1C)Nc(ccc(c2Cl)Cl)c2,0.0
36346,CO-ADD:0223233,4.84,c1(O)c(OCC)cc(cc1Cl)\C=N\NC(COc2c(C)cccc2C)=O,0.0
36347,CO-ADD:0230661,4.84,c12c(cc(cccc3)c3n1)C(c4c2cc(C)cc4)=O,0.0
36348,CO-ADD:0228612,4.84,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3C(=O)CN4CCCC4)C1=O,0.0
36349,CO-ADD:0229952,4.84,C1(OCCC(C)(C)O1)c(ccc(c23)OCO2)c3,0.0
36350,CO-ADD:0228099,4.84,C1(c2ccc(cc2Cl)Cl)=N\C(\C(=O)O1)=C/c(cc3)ccc3OCc4ccccc4,0.0
36351,CO-ADD:0230007,4.84,C12(CC(CC3C1)CC(C3)C2)C(=O)N\N=C(/C)\CC(=O)Nc4c(cccc4C(F)(F)F)Cl,0.0
36352,CO-ADD:0222984,4.84,N1(c2ccc(cc2)C)C(=O)C(C(C1=O)C34\C=N\NC(=O)C(=O)Nc5ccccc5)C(c(c36)cccc6)c(c47)cccc7,0.0
36353,CO-ADD:0232663,4.84,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c3ccc(cc3OC)OC)=O,0.0
36354,CO-ADD:0232718,4.84,n1c(c(cc2)ccc2[N+](=O)[O-])csc1Nc3ccccc3OC.Br,0.0
36355,CO-ADD:0235719,4.84,C(=O)(c1ccc(cc1)Br)NNC(=O)c(cc2)ccc2c3ccccc3,0.0
36356,CO-ADD:0235410,4.84,n([C@@H]1[C@@H](c2ccccc2)CC(=CC1=O)\C=C\c3ccccc3)(nnc4[N+](=O)[O-])n4,0.0
36357,CO-ADD:0223007,4.84,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc3ccccc3CC,0.0
36358,CO-ADD:0231877,4.84,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2ccc(cc2O)C,0.0
36359,CO-ADD:0235038,4.84,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2C(O)=O,0.0
36360,CO-ADD:0235541,4.84,c1(NC(CSCC(=O)OCC(=O)c2ccc(cc2)Br)=O)sc3c(ccc(C)c3)n1,0.0
36361,CO-ADD:0235846,4.84,N1(c2cccc(C)c2)C(=O)C3C(C(CC34)C=C4)C1=O,0.0
36362,CO-ADD:0235754,4.84,c1(NC(=O)C(C)(C)C)n(c2ccccc2)ncc1C(OCC)=O,0.0
36363,CO-ADD:0235700,4.84,C(CSc1ccccc1C)(=O)N\N=C\c(ccc(c2OC)C)c2,0.0
36364,CO-ADD:0248374,4.84,ClC1=C2C(N(C)C(C3=CSC=N3)=N2)=CC=C1,0.0
36365,CO-ADD:0163573,4.84,c1(O)c(OCC)cc(cc1Cl)\C=N\NC(=O)c(ccc(n2)C)c2,0.0
36366,CO-ADD:0163661,4.84,c1(OC)c(OC)cc(cc1OC)\C=N\NC(COc(ccc(c2C)C)c2)=O,0.0
36367,CO-ADD:0163669,4.84,C(CCCCCCCCCCCCCCCCC)(=O)Nc(cc1)ccc1OCCCCC,0.0
36368,CO-ADD:0228510,4.84,C(C#N)(=C(N)Oc1c2c(O)ccc1\C=N/c(cc3)ccc3OC)C2c(cccc4[N+](=O)[O-])c4,0.0
36369,CO-ADD:0228808,4.84,N1(CC)C(=O)c2c(c(ccc3[N+](=O)[O-])C1=O)c3ccc2,0.0
36370,CO-ADD:0228709,4.84,N1(c2cccc(c2)c3csc(Nc(ccc(c4C)C)c4)n3)C(=O)c5c(cccc5)C1=O.Br,0.0
36371,CO-ADD:0163110,4.84,c1(c(ccc(c2Br)O)c2s3)c3N=C(CCC4)N4C1=O,0.0
36372,CO-ADD:0230070,4.84,c(C=O)(cc(Cl)cc1Br)c1O,0.0
36373,CO-ADD:0230340,4.84,C(/c1c(N2)cccc1)(=N\c3cccc(C)c3C)\C2=O,0.0
36374,CO-ADD:0228163,4.84,C(CNc1cccc(cccc2)c12)(=O)N\N=C\C=C\c3ccccc3,0.0
36375,CO-ADD:0230177,4.84,S(=O)(=O)(c1ccc(cc1)C)Oc(ccc(c23)OC(C=C2C)=O)c3,0.0
36376,CO-ADD:0228207,4.84,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)Nc2scc(c3ccccc3)n2)c1,0.0
36377,CO-ADD:0230882,4.84,C(=C/c(cc1)ccc1N(C)C)(/c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c23)\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
36378,CO-ADD:0222954,4.84,c1(\C=N\NC(c2ccccc2)=O)cc(Br)ccc1OC,0.0
36379,CO-ADD:0232699,4.84,c1(\C(\CC2)=N\O)c2c3c(ccc(C4CCCCC4)c3)[nH]1,0.0
36380,CO-ADD:0232345,4.84,c1(C#N)c2c(sc1\N=C\c3cc(OC)ccc3O)CCCC2,0.0
36381,CO-ADD:0232628,4.84,N(C(=O)c(cc1)ccc1C(C)(C)C)c2sccn2,0.0
36382,CO-ADD:0235127,4.84,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c4cccc(OC)c4O,0.0
36383,CO-ADD:0223368,4.84,c1(SCC(=O)N\N=C\C=C\c2ccccc2)[nH]c(c3n1)cccc3,0.0
36384,CO-ADD:0235335,4.84,C1(c2c(ccc(cccc3)c23)NC4c5ccccc5Cl)=C4CC(C)(C)CC1=O,0.0
36385,CO-ADD:0231908,4.84,C(=O)(Oc1cccc(c1)\C=N\NC(=O)C(O)c2ccccc2)c3cccc(Br)c3,0.0
36386,CO-ADD:0235850,4.84,N1(c(cc2)ccc2C(OCCCCCCC)=O)C(=O)c3c(cccc3)C1=O,0.0
36387,CO-ADD:0235485,4.84,n1c(Nc(cc2)ccc2Cl)scc1c3cc(C)ccc3C.Br,0.0
36388,CO-ADD:0232093,4.84,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(cc2)ccc2C)=O)c3ccccc3I,0.0
36389,CO-ADD:0232317,4.84,n1(cc2)c(c(n2)CCC3)c3c4c1ccc(c4)C5CCCCC5,0.0
36390,CO-ADD:0228710,4.83,N1(c2cccc(OC)c2)C(=O)CC(N(CC3)CCN3c4ccccc4Cl)C1=O,0.0
36391,CO-ADD:0228541,4.83,N1C(SCC(=O)c2ccc(cc2)Br)=NN=C(C)C1=O,0.0
36392,CO-ADD:0228861,4.83,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc(c2OCC)OCc(cc3)ccc3Cl)c2)c4ccc(cc4C)C,0.0
36393,CO-ADD:0230539,4.83,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I)N(CC(C)C)CC(C)C,0.0
36394,CO-ADD:0230669,4.83,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
36395,CO-ADD:0228022,4.83,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O,0.0
36396,CO-ADD:0230873,4.83,C(=C/c(cc1)ccc1C)(/c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c23)\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
36397,CO-ADD:0223450,4.83,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cccc(OC)c3,0.0
36398,CO-ADD:0230490,4.83,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(CSSCC(C(O)=O)NC(=O)c(cc2)ccc2[N+](=O)[O-])C(O)=O,0.0
36399,CO-ADD:0230454,4.83,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c2cccc(OC)c2O)c3ccccc3Cl,0.0
36400,CO-ADD:0230615,4.83,c1(c(O)ccc(cccc2)c12)\C=N/C3CCCCC3,0.0
36401,CO-ADD:0223170,4.83,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)Nc(cc3)ccc3C)c4ccccc4,0.0
36402,CO-ADD:0235265,4.83,C(=O)(c1cccc(F)c1)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3Br,0.0
36403,CO-ADD:0223287,4.83,[N+](=O)([O-])c1c(Cl)ccc(c1)NC(=O)CC(=O)C(C)(C)C,0.0
36404,CO-ADD:0235077,4.83,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc(cc2)ccc2C)=O)c3ccccc3Br,0.0
36405,CO-ADD:0235060,4.83,C(=O)(c1ccc(cc1)F)c2cccc(c2)\N=C\c(cc3)ccc3O,0.0
36406,CO-ADD:0232741,4.83,n1c(c(cc2)ccc2c3ccccc3)csc1Nc4ccccc4OC.Br,0.0
36407,CO-ADD:0235844,4.83,N1(c2ccc(cc2)OC)C(=O)c3c(cc(cc3)Oc(cc4)ccc4NC(C)=O)C1=O,0.0
36408,CO-ADD:0231894,4.83,N(=C(/C)\c1ccc(cc1)F)/NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
36409,CO-ADD:0232058,4.83,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(cc3)ccc3C(C)(C)C,0.0
36410,CO-ADD:0223401,4.83,[N+](=O)([O-])c1ccc(cc1NCCCO)Cl,0.0
36411,CO-ADD:0235472,4.83,N1(C(=O)CCC1=O)CC(=O)N(c2ccccc2)c3ccccc3,0.0
36412,CO-ADD:0232719,4.83,c1(ccc(c(Cl)c1F)F)[N+](=O)[O-],0.0
36413,CO-ADD:0157200,4.83,N#CCC1=NNC(N)=C1/C(N)=N/O,0.0
36414,CO-ADD:0157477,4.83,O=C(C1=CC=CC=C1)CSC2=NC3=C(N=N2)C(C=CC=C4)=C4N3CC,0.0
36415,CO-ADD:0228894,4.83,c1(\N=C\c2c3c(cccc3)cc(cccc4)c24)sc5c(ccc(Br)c5)n1,0.0
36416,CO-ADD:0223687,4.83,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)C(C)Oc(cc2)ccc2OCCCCC,0.0
36417,CO-ADD:0223814,4.83,[N+](=O)([O-])c1ccccc1\C=C/C(=O)Nc(cc2)ccc2C,0.0
36418,CO-ADD:0223512,4.83,N(CC(O)=O)(C(=O)\C(=C\c(c(C)nn1c2ccc(cc2)Cl)c1O)\C(=C3C#N)C)C3=O,0.0
36419,CO-ADD:0228393,4.83,n(c1SCC(=O)Nc2ccccc2C(F)(F)F)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc(SCC(=O)Nc4ccccc4C(F)(F)F)n1,0.0
36420,CO-ADD:0228328,4.83,c1(CN(CC2)CCC2(c3ccccc3)C(OCC)=O)n(C)c4c(cccc4)c1C#N,0.0
36421,CO-ADD:0157822,4.83,[O-][N+](C1=C(O)C(/C=N/C2=C(O)C=C(C)C=C2)=CC(C)=C1)=O,0.0
36422,CO-ADD:0157559,4.83,CC1=C(C2=CC=CC=C2)NC3=CC(Cl)=CC(O)=C31,0.0
36423,CO-ADD:0228390,4.83,c1(c2ccccc2O)nnc(SC)o1,0.0
36424,CO-ADD:0228143,4.83,N(=C(/CCCC1)\C1C)/NC(CNc2cccc(Br)c2)=O,0.0
36425,CO-ADD:0223075,4.83,c1(ccc(cc1N(CC2)CCN2)N3CCCC3)[N+](=O)[O-],0.0
36426,CO-ADD:0223617,4.83,C(COc1cccc(C)c1)(=O)N\N=C\c2cccc(Cl)c2,0.0
36427,CO-ADD:0228798,4.83,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\NCCC,0.0
36428,CO-ADD:0228130,4.83,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
36429,CO-ADD:0230793,4.83,N(/c(cc1)ccc1C)=C\c(ccc(c2CC=C)OCc(cc3)ccc3Br)c2,0.0
36430,CO-ADD:0223326,4.83,N(c1ccccc1)(c2ccccc2)NC(CCCCl)=O,0.0
36431,CO-ADD:0157914,4.83,[O-][N+](C1=CC=CC=C1/C=N\NC2=NC(NC3=CC=CC=C3)=NC(NC)=N2)=O,0.0
36432,CO-ADD:0157096,4.83,[O-][N+](C1=C(C=CC=C1)C(N/N=C/C2=CC=C(SCC(NC3=CC=CC=C3)=O)O2)=O)=O,0.0
36433,CO-ADD:0223309,4.83,N1(c2ccccc2OC(C)=O)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
36434,CO-ADD:0235645,4.82,N1(c2c(cccc2)CCc(cccc3)c13)NC(=O)c4ccc(cc4)Cl,0.0
36435,CO-ADD:0232564,4.82,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(OCC)=O)=O,0.0
36436,CO-ADD:0232160,4.82,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4cccc(Br)c4,0.0
36437,CO-ADD:0235238,4.82,N(C)(c1ccc(cc1)\N=C\c(cc2)cc(c2OC(C)=O)OC)C(C)=O,0.0
36438,CO-ADD:0235789,4.82,c1(\C=N\NC(CCC(=O)Nc(cc2)ccc2F)=O)cc(OC)ccc1OC,0.0
36439,CO-ADD:0163596,4.82,C(C(NCCOC)=O)C(=O)N\N=C\c1cccc(OC)c1,0.0
36440,CO-ADD:0248376,4.82,ClC1=CC=C(N(CC2=CC=CC=C2)C(C3=CSC=N3)=N4)C4=C1,0.0
36441,CO-ADD:0223688,4.82,c1(\C=N\NC(=O)c2ccc(cc2)OCC=C)c(cccc1Cl)Cl,0.0
36442,CO-ADD:0223154,4.82,c1(O)c(OCC)cc(cc1Cl)\C=N\NC(COc2cc(C)ccc2C(C)C)=O,0.0
36443,CO-ADD:0223591,4.82,C(CN(CCCC1(CCOC2(C)C)C2)C1)#CCN(C)C.Cl.Cl,0.0
36444,CO-ADD:0228431,4.82,n1(c2ccccc2)c(SC)nnc1c3ccc(c(OC)c3)OC,0.0
36445,CO-ADD:0228465,4.82,n1c(c2ccc(cc2)I)csc1Nc(ccc(c3C)C)c3.Br,0.0
36446,CO-ADD:0223571,4.82,n1(CC)c2c(c(cc(cc3)NC(COc(cc4)ccc4C)=O)c13)cccc2,0.0
36447,CO-ADD:0223071,4.82,C(=O)(N\N=C\c(cc1OC)cc(c1OC)OC)C(=O)Nc2c(C)cccc2C,0.0
36448,CO-ADD:0157481,4.82,S=C(N(C)C)OC1=CC=C(C=C1)C(NC2=CC=C(OCC)C=C2)=O,0.0
36449,CO-ADD:0228528,4.82,c1(C(=O)Nc2cccc(C)n2)sc3c(c(C)cc(C)n3)c1N,0.0
36450,CO-ADD:0223162,4.82,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
36451,CO-ADD:0157278,4.82,O=C(C)N1C2=C(C(C3=CC=CC=C3)(C4=CC=CC=C4)OC1C)C=CC=C2,0.0
36452,CO-ADD:0232023,4.82,n1c2c(oc1c3cccc(c3)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br)cccc2C,0.0
36453,CO-ADD:0157110,4.82,O=C(N/C(C(N/N=C/C1=CC(OCO2)=C2C=C1)=O)=C/C3=CC=CC=C3)C4=CC=CC=C4Cl,0.0
36454,CO-ADD:0235520,4.82,n1(cnnc1N\N=C\c2ccccc2F)\N=C/c3ccccc3F,0.0
36455,CO-ADD:0235500,4.82,[N+](=O)([O-])c1ccc(cc1)OCC(=O)N\N=C\c(ccc(c2OC)OCC(=O)N(CC3)CCO3)c2,0.0
36456,CO-ADD:0232541,4.82,C1(\N=C\c2ccc(C)o2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
36457,CO-ADD:0235785,4.82,C(=O)(N\N=C\c(ccc(c1OC)OCc2ccccc2)c1)C(OC)c3ccccc3,0.0
36458,CO-ADD:0235044,4.82,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc(Br)cc2\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)c2,0.0
36459,CO-ADD:0235878,4.82,C(=O)(OCC(=O)c1ccc(cc1)Br)c2cccc(c3ccc(cc3)OC(C)=O)c2,0.0
36460,CO-ADD:0230700,4.82,C(=O)(NC(C)CC)C\C(\C)=N\NC(COc1ccc(cc1Br)C)=O,0.0
36461,CO-ADD:0232134,4.82,C(=O)(NCC(=O)N\N=C\c1cccc(Br)c1)c2ccco2,0.0
36462,CO-ADD:0232567,4.82,C(=O)(N\N=C\c1ccccc1O)c(cccn2)c2,0.0
36463,CO-ADD:0157249,4.82,ClC(C=C(Cl)C=C1)=C1/C=N/C2=CC(C3=NC4=CC=CC=C4O3)=C(Cl)C=C2,0.0
36464,CO-ADD:0163268,4.82,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
36465,CO-ADD:0230391,4.82,N1(\N=C\c(ccc(c2OC)OC)c2)C(=S)SC(C)(C)C1N(O)C(=O)NC3CCCCC3,0.0
36466,CO-ADD:0230158,4.82,N1=C(c2ccccc2)CCN1c3ccccc3,0.0
36467,CO-ADD:0228391,4.82,c1(ccc(C)s1)C(c2cccc(OC)c2)c3ccc(C)s3,0.0
36468,CO-ADD:0228384,4.82,c1(coc(ccc(O)c2)c12)C(=O)c3cc(OC)ccc3OC,0.0
36469,CO-ADD:0230153,4.82,C(CC1CC2CC3C1)(C2)(C3)\N=C\c(ccc(c4OC)OC)c4,0.0
36470,CO-ADD:0230359,4.82,c12c(ccc(c1)NC(=O)c(cc3)ccc3C4CCCCC4)c5c(cccc5)o2,0.0
36471,CO-ADD:0231874,4.82,c1(c(O)c(\C=N\c(ccc(c2o3)nc3c4cccc(F)c4)c2)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
36472,CO-ADD:0232002,4.82,n1c2c(oc1c3cccc(c3)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br)ccc(C)c2,0.0
36473,CO-ADD:0232544,4.82,C(CN1CN2CN3C1)(C2)(C3)\C(\c4ccccc4)=N\N=C\c(cc5)ccc5OCCCC,0.0
36474,CO-ADD:0228149,4.82,c1(NCC(=O)N\N=C\c(ccc(c2OC)OC)c2)c(Br)cc(cc1Br)Cl,0.0
36475,CO-ADD:0230238,4.81,C(c1ccccc1)(=O)Nc(cc2)ccc2C(=O)N\N=C\c3cccc(Br)c3,0.0
36476,CO-ADD:0230429,4.81,C(=C\c(cc1)ccc1C)/C(=O)c(ccc(c23)OCCO2)c3,0.0
36477,CO-ADD:0230682,4.81,c1(ccccc1Br)C(=O)N\N=C(/C2)\c3c(CC2)cccc3,0.0
36478,CO-ADD:0232586,4.81,C1(\N=C\c2cc(ccc2N(C)C3CCCCC3)[N+](=O)[O-])=C(C)N(N(c4ccccc4)C1=O)C,0.0
36479,CO-ADD:0232212,4.81,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2C)=O)c3ccccc3I,0.0
36480,CO-ADD:0235828,4.81,c1(cc(ccc1C(=O)OCC(=O)c(cc2)ccc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
36481,CO-ADD:0235927,4.81,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(NCCOC)=O,0.0
36482,CO-ADD:0235603,4.81,c1(ccc(Br)o1)C(=O)OCC(=O)c2ccc(cc2)C,0.0
36483,CO-ADD:0157907,4.81,[O-][N+](C1=CC(C)=CC(/C=N/C2=CC=CC3=C2C=CC=C3)=C1O)=O,0.0
36484,CO-ADD:0157863,4.81,ClC1=CC=C(O)C(/C=N/NC2=NC(NC3=CC=CC=C3)=NC(NCC4=CC=CC=C4)=N2)=C1,0.0
36485,CO-ADD:0248367,4.81,NC1=C(C(N2C3=CC=CC=C3)=NC4=C(C=CC=C4)C2=O)SC(NC5=CC=C(Cl)C=C5)=N1,0.0
36486,CO-ADD:0228615,4.81,N1(c2cccc(OC)c2)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
36487,CO-ADD:0228364,4.81,C1(c2ccc(cc2)N)=Cc3c(OC1=O)cccc3,0.0
36488,CO-ADD:0223190,4.81,c1(c(Br)cc(cc1\C=N\NC(COc2ccccc2C#N)=O)Br)OC(=O)c(ccc(c34)OCO3)c4,0.0
36489,CO-ADD:0223554,4.81,S(=O)(=O)(N(CC1)CCO1)c2c(C)ccc(c2)C(=O)Nc(cc3)ccc3[N+](=O)[O-],0.0
36490,CO-ADD:0228171,4.81,S(=O)(=O)(c1ccc(cc1)C)Nc2nc3c(nc2Nc4cc(C)ccc4C)cccc3,0.0
36491,CO-ADD:0228758,4.81,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4Cl,0.0
36492,CO-ADD:0228949,4.81,n1c(cccc2)n2c(ccc(cccc3)c34)c14.Cl,0.0
36493,CO-ADD:0228961,4.81,c(cc(cccc1)c1n2)(c23)\C(=N/c4ccccc4)\c5c3cc(c(C)c5)C,0.0
36494,CO-ADD:0230439,4.81,c(cc(C)cc1)(c1C(=O)c2c3cc(cc2)N)C3=O,0.0
36495,CO-ADD:0228935,4.81,c12c(cc(Br)c(C)c1)Cc(cccc3)c23,0.0
36496,CO-ADD:0223110,4.81,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(COc3ccccc3C#N)=O)[N+](=O)[O-],0.0
36497,CO-ADD:0228210,4.81,[n+]1(C)ccc(\C=C\c(cc2)ccc2N(C)C)n1C.[I-],0.0
36498,CO-ADD:0235617,4.81,N1(COC(=O)NC2CCCCC2)c(ccc(c3)Cl)c3OC1=O,0.0
36499,CO-ADD:0235631,4.81,C(NCCOCc1ccccc1)(=O)C(c2ccccc2)c3ccccc3,0.0
36500,CO-ADD:0235389,4.81,C(=C\C=C\c1ccc(C)o1)(/C2=O)\C(=O)NC(=S)N2,0.0
36501,CO-ADD:0235952,4.81,c1(\C=N\Nc2ccccc2)c3c(cccc3)ccc1OC(=O)c4ccc(cc4)Cl,0.0
36502,CO-ADD:0157090,4.81,N#CC1=C(S/C2=C\C3=CC=C(Cl)C=C3)N(C2=O)C(N)=C(C#N)C1C(C=C4)=CC=C4Cl,0.0
36503,CO-ADD:0235121,4.81,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c(cc(I)cc4I)c4O,0.0
36504,CO-ADD:0228045,4.81,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)ccc4OC(=O)c5cccc(F)c5,0.0
36505,CO-ADD:0228368,4.81,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C\c(cc4)ccc4C(=O)Oc5c(Cl)ccc(Cl)c5,0.0
36506,CO-ADD:0228802,4.81,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3c(Cl)cc(cc3Cl)Cl,0.0
36507,CO-ADD:0235175,4.81,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(cc4)ccc4OCc5ccccc5,0.0
36508,CO-ADD:0230708,4.81,C(=O)(c1cccc(Br)c1)Nc2ccc(cc2Br)Br,0.0
36509,CO-ADD:0228479,4.81,N1(\N=C(/CC2)\c3c(C2)non3)C(=S)SC(C)(C)C1N(O)C(NC)=O,0.0
36510,CO-ADD:0230462,4.81,C(=O)(NCc1ccco1)C(=O)NCc2ccccc2,0.0
36511,CO-ADD:0230163,4.81,C(Cc1ccccc1)(=O)N\N=C\C=C\c2ccccc2,0.0
36512,CO-ADD:0230859,4.81,N(/NC(CCCCCCCC(=O)N\N=C(/C1)\c2c(C1)cccc2)=O)=C(/C3)\c4c(C3)cccc4,0.0
36513,CO-ADD:0228495,4.81,c1(C(OCC)=O)c2c(oc1CN(CC3)CCO3)ccc(OC)c2.Cl,0.0
36514,CO-ADD:0235679,4.81,C(COc(cc1)ccc1CCCCC)(=O)N\N=C\c2ccccc2OCc3cccc(OC)c3,0.0
36515,CO-ADD:0232429,4.81,C(=C/c(cc1)ccc1OCc(cc2)ccc2Br)(/C(C)=NO3)\C3=O,0.0
36516,CO-ADD:0232210,4.81,c1(\C=N\c(cccc2C(F)(F)F)c2)c(O)c(OC)cc(Br)c1Br,0.0
36518,CO-ADD:0223399,4.81,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)Nc2ccccc2F,0.0
36519,CO-ADD:0232653,4.81,C1(NC(=O)\C=C\C(O)=O)=C(C)N(N(c2ccccc2)C1=O)C,0.0
36520,CO-ADD:0230851,4.81,N(/NC(CCCCCCCC(=O)N\N=C(\c1ccccc1)/C=C/c2ccccc2)=O)=C(\c3ccccc3)/C=C/c4ccccc4,0.0
36521,CO-ADD:0223073,4.81,N1(CNc2c(C)ccc(Cl)c2)C(=O)\C(\NC1=S)=C\c(cc3)ccc3Br,0.0
36522,CO-ADD:0223593,4.81,C(NC(CC)=O)(c1c(cccc1)CC23CCCC2)=C3C#N,0.0
36523,CO-ADD:0157199,4.81,O=C(COC1=CC(C=CC=C2)=C2C=C1)N/N=C/C3=CC=C(OCCCC)C=C3,0.0
36524,CO-ADD:0157207,4.8,O=C(/C=C/C(C=C1)=CC=C1Br)OC(C=C2)=CC=C2/C=N/C3=C(C=CC=C4)C4=CC=C3,0.0
36525,CO-ADD:0157255,4.8,O=C(C1=C2C=CC=C1[N+]([O-])=O)N(C(C=C3)=CC=C3OC(C=C4)=CC=C4Cl)C2=O,0.0
36526,CO-ADD:0235186,4.8,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
36527,CO-ADD:0235287,4.8,C(=O)(c1ccc(cc1)Br)Oc2cc(ccc2OC(=O)c3ccc(cc3)Br)\C=N\NC(c4ccccc4)=O,0.0
36528,CO-ADD:0235209,4.8,N(/c(ccc(c1OC)OC)c1)=C\c(cc2)ccc2OCc3ccccc3,0.0
36529,CO-ADD:0235120,4.8,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc(cc2)ccc2C)=O)c3cccc(Br)c3,0.0
36530,CO-ADD:0232661,4.8,C1(C(=O)OC2CCCC2)=C(C)NC(NC1c3ccccc3OC)=O,0.0
36531,CO-ADD:0232691,4.8,C1(C(=O)OC2CCCC(C)C2)=C(C)NC(=O)NC1c3ccc(cc3)OCCC,0.0
36532,CO-ADD:0157540,4.8,O=C(C1=CN=CC=N1)N/N=C(C)/CC(NC2=C(C=CC=C2)C(F)(F)F)=O,0.0
36533,CO-ADD:0157636,4.8,SC1=NC(C2=CC=C(CC(C=C3)=CC=C3C)O2)=NN1,0.0
36534,CO-ADD:0223766,4.8,C(=O)(OC1CCCCC1)Nc2cccc(cccc3)c23,0.0
36535,CO-ADD:0228643,4.8,n1(c(C)c(nn1)\C(\C)=N\NC(=O)c2ccc(cc2)C)c3nonc3N,0.0
36536,CO-ADD:0230352,4.8,N1(CNc2cccc(F)c2)C(=O)\C(\SC1=O)=C\c3ccccc3F,0.0
36537,CO-ADD:0228591,4.8,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCC(OCC)=O,0.0
36538,CO-ADD:0223202,4.8,c1(c(O)c(\C=N\NC(COc(cc2)ccc2Cl)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
36539,CO-ADD:0223781,4.8,C(=C\c1ccccc1)/C(/c2ccccc2)=N/O,0.0
36540,CO-ADD:0228282,4.8,c1(ccc(C)s1)C(c(c2)cc(c(O)c2C(C)(C)C)C(C)(C)C)c3ccc(C)s3,0.0
36541,CO-ADD:0228923,4.8,N1(c2ccc(cc2)Oc(cc3)ccc3Oc(cc4)ccc4N5C(=O)c(c6C5=O)ccc(C(O)=O)c6)C(=O)c(c7C1=O)ccc(C(O)=O)c7,0.0
36542,CO-ADD:0228293,4.8,n1(Cc2ccccc2)c(cccc3)c3c(SC)c1CC(=O)Nc(cc4)ccc4C,0.0
36543,CO-ADD:0223411,4.8,C(=O)(N\N=C\c(cc1OC)cc(c1OC)OC)C(=O)Nc2cccc(C)c2,0.0
36544,CO-ADD:0232735,4.8,c1(c(C)cccc1C)NC(CNc2ccccc2C)=O,0.0
36545,CO-ADD:0232798,4.8,c12c(ccc(cccc3)c13)OC(CC2c4ccccc4)=O,0.0
36546,CO-ADD:0235561,4.8,n1(nnc(C(C)(C)O)c1C(C)(C)O)c2nonc2N,0.0
36547,CO-ADD:0157844,4.8,O=C1/C(N=C(C2=CC=CC(Cl)=C2)O1)=C/C(C)=C/C3=CC=CC=C3,0.0
36548,CO-ADD:0157756,4.8,[O-][N+](C(C(N1CCN(C)CC1)=C2)=CC=C2N3CCOCC3)=O,0.0
36549,CO-ADD:0157764,4.8,FC(C=C1)=CC=C1/C=N/NC2=NC3=NON=C3N=C2NC4=CC(C)=CC=C4,0.0
36550,CO-ADD:0157169,4.8,[O-][N+](C1=CC2=C(C=C1)N=C3C(C4=CC=C3Cl)=C2C(C=CC=C5)=C5C4=O)=O,0.0
36551,CO-ADD:0157227,4.8,O=C(C1=C2[N+]([O-])=O)N(C3=CC(C)=C(Br)C=C3)C(C1=CC=C2)=O,0.0
36552,CO-ADD:0157235,4.8,[O-][N+](C(C=CC=C1)=C1/C=N/C2=CC(C3=NC4=CC(C)=CC=C4O3)=C(Cl)C=C2)=O,0.0
36553,CO-ADD:0228624,4.8,S(=O)(=O)(N(CC1)CCO1)c2c(C)ccc(c2)C(=O)Oc(cccc3NC(=O)c4ccco4)c3,0.0
36554,CO-ADD:0228354,4.8,N1(c2ccc(cc2Br)Br)N=C(\C(=C(/C)\NCC(C)C)\C1=O)C,0.0
36555,CO-ADD:0228235,4.8,c1(C(=O)N\N=C\c(ccc2c3ccc(cc3)Br)o2)nonc1N,0.0
36556,CO-ADD:0223504,4.8,C(C#N)(=C(C)\C(=C\NNC(c1ccccc1)=O)\C(N2C)=O)C2=O,0.0
36557,CO-ADD:0235487,4.8,N1(C(c(cccc2[N+](=O)[O-])c2)CC(c3cc(C)ccc3C)=N1)c4scc(c5ccc(cc5)I)n4.Br,0.0
36558,CO-ADD:0228404,4.8,C1(=O)c2c(cccc2)OC(C)(CCC)N1,0.0
36559,CO-ADD:0230432,4.8,C(=O)(N(CC)CC)C(c1ccccc1)c2ccccc2,0.0
36560,CO-ADD:0228067,4.8,c1(c(ccc(c1)[N+](=O)[O-])Oc(cc2)ccc2\C=N\c(ccc(c34)oc(c5ccc(cc5)Br)n3)c4)[N+](=O)[O-],0.0
36561,CO-ADD:0228024,4.8,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
36562,CO-ADD:0228900,4.8,C(CCC1CCCCC1)(=O)Nc(cc2)ccc2I,0.0
36563,CO-ADD:0228780,4.8,N1(c(cc2)ccc2C(OCCCC)=O)C(=O)c3c(cc(cc3)Br)C1=O,0.0
36564,CO-ADD:0228593,4.8,N1(C(c2ccccc2)CC(c3ccccc3)=N1)c4scc(c5ccc(cc5)C)n4.Br,0.0
36565,CO-ADD:0223258,4.8,N1(c2ccc(c3c2)cccc3)C(=O)C4C(CC=CC4C)C1=O,0.0
36566,CO-ADD:0223045,4.8,N1(c2ccc(cc2)Br)C(=O)C(C(C1=O)C34\C=N\NC(=O)C(=O)NCc(cc5)ccc5C)C(c(c36)cccc6)c(c47)cccc7,0.0
36567,CO-ADD:0223014,4.8,N1(c2ccc(cc2)Br)C(=O)C(C(C1=O)C34\C=N\NC(=O)C(=O)Nc(cc5)ccc5CCCC)C(c(c36)cccc6)c(c47)cccc7,0.0
36568,CO-ADD:0228660,4.8,c1(csc(Nc2ccccc2)n1)C3(C)CC(C(=O)O3)CC,0.0
36569,CO-ADD:0223761,4.79,C(=O)(c1ccc(cc1)Br)NCC2CC2,0.0
36570,CO-ADD:0164010,4.79,O=C(N1OC(O)C(C)C1)OCC2=CC=CC=C2,0.0
36571,CO-ADD:0223746,4.79,c1(csc(\C=N\NC(=O)c(cc2OC)cc(c2OC)OC)c1)[N+](=O)[O-],0.0
36572,CO-ADD:0228653,4.79,C(=N\O)(/C(=O)c1ccc(cc1Cl)Cl)\n(c2)ncn2,0.0
36573,CO-ADD:0230326,4.79,c1(c(ccc(c1)[N+](=O)[O-])Oc2ccc(cc2OC)\C=N\N=C\c(cc3)cc(c3Oc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])OC)[N+](=O)[O-],0.0
36574,CO-ADD:0228313,4.79,[N+](=O)([O-])c(ccc(c1\C=N\c(ccc(c23)c4c(cccc4)o2)c3)N(CC)CC)c1,0.0
36575,CO-ADD:0230843,4.79,N1(c2cccc(cccc3)c23)C(=O)CC(N(CC4)CCO4)C1=O,0.0
36576,CO-ADD:0228823,4.79,N1C(=O)\C(\NC1=S)=C\c(cc2)ccc2C=O,0.0
36577,CO-ADD:0163254,4.79,C1(C(=O)NNC(CCl)=O)CC1c2ccccc2,0.0
36578,CO-ADD:0163286,4.79,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3C,0.0
36579,CO-ADD:0157853,4.79,[O-][N+](C1=C(O)C(/C=N/C2=C(Cl)C=C(Cl)C=C2)=CC(C)=C1)=O,0.0
36580,CO-ADD:0157789,4.79,[O-][N+](C1=C(O)C(/C=N/C2=CC3=C(C=C2)OC(C4=CC=CC=C4)=N3)=CC(C)=C1)=O,0.0
36581,CO-ADD:0235229,4.79,C1(C(=O)N\N=C\c2ccc[nH]2)CC1c3ccccc3,0.0
36582,CO-ADD:0232753,4.79,C1(OC(C(CO)O2)C(O)C(C2Nc(ccc(c3C)C)c3)O)OC(CO)C(C(O)C1O)O,0.0
36583,CO-ADD:0235837,4.79,C(c1ccccc1)(=O)Nc(cc2)ccc2C(OCCC(C)C)=O,0.0
36584,CO-ADD:0232322,4.79,S1(=O)(=O)c(cccc2)c2C(N\N=C(\C3)/CCC3)=N1,0.0
36585,CO-ADD:0232008,4.79,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccccc3Br)OC,0.0
36586,CO-ADD:0232410,4.79,C1(C2C)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC3=O)=C23,0.0
36587,CO-ADD:0157595,4.79,O=C(COC(C=C1)=CC=C1C)NC(N=C2)=CC=C2Cl,0.0
36588,CO-ADD:0157128,4.79,O=C(N/N=C(C)/CC(NC(C=C1)=CC=C1F)=O)C(C(O)=C2)=CC=C2O,0.0
36589,CO-ADD:0256415,4.79,c(cn(n1)Cc2ccc(cc2Cl)Cl)(\C=C(/C#N)\c3[nH]c(c4n3)cccc4)c1c5ccccc5,0.0
36590,CO-ADD:0257057,4.79,[N+](=O)([O-])c1ccc(cc1Sc2cccc(cccn3)c23)N(CC4)CCN4CCO,0.0
36591,CO-ADD:0253541,4.79,C12=C(C(NC(c3cc(OC)ccc3OC)N1)=O)SC(=S)N2c4ccccc4,0.0
36592,CO-ADD:0253718,4.79,C(/C(OCC)=O)(=C\c1cccs1)\C(c2ccccc2)=O,0.0
36593,CO-ADD:0254043,4.79,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(c(cccc3)c3n4C)c4)\N2,0.0
36594,CO-ADD:0253884,4.79,N1(CN2CCC(CC2)C)N=C(N(C)C1=S)COc3ccccc3,0.0
36595,CO-ADD:0257105,4.79,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
36596,CO-ADD:0254048,4.79,C(=C/c(cc1)ccc1C(C)C)(/C2=O)\C(c3ccccc3)=NO2,0.0
36597,CO-ADD:0253649,4.79,[N+](=O)([O-])c1cc(Cl)ccc1c2ccc(o2)\C=C(/C#N)\C(OCC)=O,0.0
36598,CO-ADD:0250416,4.79,c1(non2)c2nc(Nc(cc3)ccc3I)c(N\N=C\c4ccc(C)o4)n1,0.0
36599,CO-ADD:0254031,4.79,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)C)SC(=NN2c6ccc(cc6)Cl)C(C)=O,0.0
36600,CO-ADD:0253815,4.79,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(cc3)OC(=O)c4ccc(cc4)OC)c5c(C)nn(c6ccccc6)c5O,0.0
36601,CO-ADD:0257158,4.79,C(=O)(c(cc1)ccc1C(=O)Nc2ccccc2NC(=O)c(cc3)ccc3C(=O)N(C4CCCCC4)C5CCCCC5)N(C6CCCCC6)C7CCCCC7,0.0
36602,CO-ADD:0253854,4.79,C(C(OC)=O)(=C1C)\C(=C\c(cc2)ccc2OC)\C(N1CCOC)=O,0.0
36603,CO-ADD:0250360,4.79,C(C#N)(C(c1ccccc1I)C2C(OCC)=O)=C(SC)NC2=O,0.0
36604,CO-ADD:0250625,4.79,N1(CC)C(=O)\C(\SC1=S)=C\c2c(C)cc(cc2C)C,0.0
36605,CO-ADD:0255324,4.79,c12c([nH]c([n+]3ccccc3)n1)C(N(C)C(=O)N2C)=O.[Cl-],0.0
36606,CO-ADD:0253728,4.79,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc5ccccc5F)c3)nnc1c6ccccc6,0.0
36607,CO-ADD:0254310,4.79,N(C(=O)\C(\S1)=C/c(cc2)ccc2O)=C1N(CC3)CCO3,0.0
36608,CO-ADD:0254732,4.79,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccccc4[N+](=O)[O-],0.0
36609,CO-ADD:0252315,4.79,S(CCCCCCCC)(=O)(=O)Nc(cc1)ccc1\C(\C)=N/N=C(\C)/c2ccc(cc2)NS(CCCCCCCC)(=O)=O,0.0
36610,CO-ADD:0252791,4.79,c1(SCc(cc2)ccc2I)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
36611,CO-ADD:0254509,4.79,C(=O)(NC1CC1)C(=O)Nc(ccc(c2Cl)C)c2,0.0
36612,CO-ADD:0247466,4.79,C(F)(F)(F)C(=O)NC(c1ccccc1)CC(=O)N2CCCCC2,0.0
36613,CO-ADD:0248052,4.79,C(=C/c1ccccc1)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cc(Cl)ccc3O,0.0
36614,CO-ADD:0248053,4.79,C(=C/c1ccccc1)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cc(Br)ccc3OCC(O)=O,0.0
36615,CO-ADD:0254832,4.79,C(C(OCC)=O)(=C(CSc1nc(C)cc(C)c1C#N)OC(=C2C#N)N)C2c3ccc(cc3F)Br,0.0
36616,CO-ADD:0247761,4.79,c1(ncnc(N\N=C\c(cc2)ccc2OCCCCCCC)c1)N(CC3)CCO3,0.0
36617,CO-ADD:0254599,4.78,n1c(c2ccc(cc2)Br)csc1Nc(ccc(c34)OCO3)c4.Br,0.0
36618,CO-ADD:0254839,4.78,C12(c3c(NC1=O)ccc(C)c3)C(C#N)=C(N)OC(C)=C2C(OCC=C)=O,0.0
36619,CO-ADD:0255777,4.78,C1(C(=O)OCC(Cl)(Cl)Cl)=C(C)NC(=O)NC1c2ccc(cc2)Cl,0.0
36620,CO-ADD:0253823,4.78,C(=N/NC(c1ccccc1)=O)(/c2c(N3Cc(cccc4[N+](=O)[O-])c4)cccc2)\C3=O,0.0
36621,CO-ADD:0253181,4.78,C(=O)(N\N=C\c1sccc1C)C2CCCCN2C,0.0
36622,CO-ADD:0250128,4.78,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(cc3)OCc(cc4)ccc4C)c5c(C)nn(c6ccccc6)c5O,0.0
36623,CO-ADD:0255346,4.78,c1(Nc2ccccc2)nc(OC)nc(NCCN(CC3)CCO3)n1,0.0
36624,CO-ADD:0250273,4.78,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)c4oc(c5n4)cccc5,0.0
36625,CO-ADD:0253336,4.78,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)\N=C\c(cc4)ccc4F)n1,0.0
36626,CO-ADD:0256445,4.78,[N+](=O)([O-])c(cc1)ccc1C(=O)Nn(cnn2)c2,0.0
36627,CO-ADD:0250523,4.78,n1(c2ccccc2)c(SCC(=O)NCc3ccco3)nnc1c4ccc(cc4)OC,0.0
36628,CO-ADD:0253644,4.78,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)Nc3scc(C)n3)c4ccc(cc4)F.C(=O)O,0.0
36629,CO-ADD:0256061,4.78,c1(N(CC)CC)nc(N\N=C/c(cc2)ccc2Cl)nc(Nc(ccc(c3Cl)C)c3)n1.Cl,0.0
36630,CO-ADD:0253368,4.78,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c4cccc(OC)c4OC,0.0
36631,CO-ADD:0255444,4.78,c1(SCC(=O)Nc2ccccc2F)oc(c3n1)cccc3,0.0
36632,CO-ADD:0250169,4.78,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)OC)CC(=O)NC3CCCCC3,0.0
36633,CO-ADD:0256646,4.78,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3c[nH]nc3c4ccccc4,0.0
36634,CO-ADD:0249960,4.78,C(=N)(N(CC1)CCO1)\C(\C#N)=N\Nc2ccccc2OC,0.0
36635,CO-ADD:0247586,4.78,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)Nc(cc3)ccc3C(C)C)o1,0.0
36636,CO-ADD:0248247,4.78,s1c(c(cccn2)c2)nnc1NC(=O)c3ccccc3Br,0.0
36637,CO-ADD:0249349,4.78,C(C(OCC)=O)(C1c(ccs2)c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
36638,CO-ADD:0249332,4.78,N1(Cc(cccn2)c2)C(=O)C3C(C4\C(=C(\C)/C)\C3C=C4)C1=O,0.0
36639,CO-ADD:0247704,4.78,C(=O)(c1ccc(cc1)Cl)N\N=C(/CCl)\CCl,0.0
36640,CO-ADD:0254714,4.78,n1c(N)[nH]nc1c2ccccc2F,0.0
36641,CO-ADD:0252844,4.78,c1(c(C)cc(cc1C)C)NC(CSc2cccc(cccn3)c23)=O,0.0
36642,CO-ADD:0247451,4.78,C(CNc1ccccc1OC)(=O)OC2CCCCCCCCCCC2.Cl,0.0
36643,CO-ADD:0247862,4.78,c1(c2ccccc2Cl)nnc(NC(C(C)C)=O)s1,0.0
36644,CO-ADD:0248025,4.78,c1(C(OCC)=O)[nH]c(c(C(CCCCCCCC)=O)c1C)C,0.0
36645,CO-ADD:0247868,4.78,N(C(=O)\C(\S1)=C\c2cccs2)=C1N3CCC(CC3)C,0.0
36646,CO-ADD:0253029,4.78,C(=C\c1ccccc1OCCCCCC)(/C(c2ccccc2)=NN3c(cc4)ccc4[N+](=O)[O-])\C3=O,0.0
36647,CO-ADD:0248927,4.78,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)\N=C\c4cc(Cl)ccc4O)n1,0.0
36648,CO-ADD:0255020,4.78,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5OC)cc(c5OCC=C)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
36649,CO-ADD:0254078,4.78,n1(nnc(C(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)c1CN3CCCC3)c4nonc4N,0.0
36650,CO-ADD:0254007,4.78,S(=O)(=O)(c1ccc(cc1)\N=C\c(cccn2)c2)Nc3ccccn3,0.0
36651,CO-ADD:0250440,4.78,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c3cccc(Br)c3,0.0
36652,CO-ADD:0257100,4.78,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
36653,CO-ADD:0256661,4.78,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c3cccc(O)c3)=O,0.0
36654,CO-ADD:0249897,4.78,c1(nnc(COc2ccccc2)s1)NC(=O)c(cc3)ccc3C(C)(C)C,0.0
36655,CO-ADD:0256013,4.78,c1(ccc(\C=N\NC(=O)c2cccc(I)c2)o1)[N+](=O)[O-],0.0
36656,CO-ADD:0255942,4.78,S(=O)(=O)(c(cccc1S(=O)(=O)c2ccc(cc2)Cl)c1)N3CCCCCC3,0.0
36657,CO-ADD:0253689,4.78,C(/c1c(cccc1)CC2(C)C)(\N2)=C(/C#N)\C#N,0.0
36658,CO-ADD:0256418,4.78,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc(c5[N+](=O)[O-])Sc6nccn6C)c5,0.0
36659,CO-ADD:0257006,4.78,N(c1ccc(c(C)c1)C)(C(c2cccc(OC)c2)C=C3Nc(ccc(c4C)C)c4)C3=O,0.0
36660,CO-ADD:0255510,4.78,C(C(=O)OCc1ccccc1)(C2c3ccc(cc3)OC)=C(C)NC(CCCC4=O)=C24,0.0
36661,CO-ADD:0248202,4.78,N1(c2cccc(c2)C(=O)Nc(cc3)ccc3C(OCCCC)=O)C(=O)c(c4C1=O)cccc4,0.0
36662,CO-ADD:0252442,4.78,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)N\N=C(/C2)\CCCCC2)c3cc(C)cc(C)c3,0.0
36663,CO-ADD:0255181,4.78,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)Nc4ccccc4F,0.0
36664,CO-ADD:0253032,4.78,C(NCCC(=O)NC1CCCCCC1)(OCc2ccccc2)=O,0.0
36665,CO-ADD:0252876,4.78,c12c(ccc(c1)NC(=O)c(cccc3NC(=O)C(C)(C)C)c3)Cc(ccc(c4)NC(=O)c(cccc5NC(=O)C(C)(C)C)c5)c24,0.0
36666,CO-ADD:0252926,4.78,C(=C/c(ccc(c1[N+](=O)[O-])O)c1)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
36667,CO-ADD:0247375,4.78,N(CCc(c12)c3c(cccc3)[nH]1)(C2c4ccc(cc4)OCC)C(=O)c5ccc(cc5Cl)Cl,0.0
36668,CO-ADD:0247349,4.77,c1(\N=C\c(ccc(c2[N+](=O)[O-])Cl)c2)c(c3ccc(c(OCC)c3)O)nc(cccc4)n14,0.0
36669,CO-ADD:0247434,4.77,N#C[C]1234[C]567(C8=CC=CC=C8)[BH]9%10%11[BH]%12%13([BH]%14%15%16[BH]%17%183[BH]6%154[BH]%13%11%167)[BH]%19%14%18[BH]%129%20[BH]%19%171[BH]%105%202,0.0
36670,CO-ADD:0255121,4.77,S(=O)(=O)(N(c1ccccc1)CC(=O)Nc2c(C)ccc(Cl)c2)c3ccccc3[N+](=O)[O-],0.0
36671,CO-ADD:0252247,4.77,c1(sc(c(c2ccc(cc2)OC(c3ccccc3)=O)n1)CC)N4C(c5ccc(cc5)F)CC(c6cccs6)=N4.Br,0.0
36672,CO-ADD:0252845,4.77,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc4c5ccc(cc5Cl)Cl)o4,0.0
36673,CO-ADD:0255031,4.77,n1(nnc(C(=O)N\N=C(\C)/c(cc2)ccc2c3ccccc3)c1c(cccc4[N+](=O)[O-])c4)c5nonc5N,0.0
36674,CO-ADD:0249150,4.77,[N+](=O)([O-])\N=C(\N)/N\N=C(/C)\c1c(C)non1,0.0
36675,CO-ADD:0247746,4.77,C(=O)(N\N=C\C(\Br)=C\c1ccccc1)C(=O)N\N=C\C(\Br)=C\c2ccccc2,0.0
36676,CO-ADD:0254534,4.77,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4OC)cc(c4OCc5ccc(cc5Cl)Cl)I)\C1=O,0.0
36677,CO-ADD:0247847,4.77,c(COc1ccc(cc1OC)\C=N\c(cc2)ccc2NC(C)=O)(c(C)c3C)c(C)c(c3Br)C,0.0
36678,CO-ADD:0247473,4.77,n(c(cc(C)c(c1)C)c12)c(O)c(n2)CC(=O)N\N=C\c(ccc(c3)N(CC)CC)c3O,0.0
36679,CO-ADD:0254687,4.77,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C(/CCCCCCCCCC4)\C4,0.0
36680,CO-ADD:0255098,4.77,C1(Cl)(C2)C(C(C)=C1C)(Cl)CC(C(C)=C3C)(C)C23C,0.0
36681,CO-ADD:0256085,4.77,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c3cc(Br)ccc3O)n1.Cl,0.0
36682,CO-ADD:0256054,4.77,c1(Nc(cc2)ccc2OC)nc(N\N=C(/C)\c3ccc(cc3)NC(C)=O)nc(NCc4ccco4)n1.Cl,0.0
36683,CO-ADD:0253836,4.77,c1(c2c(s3)CCCC2)c3N=CN(\N=C\c4cc(Br)ccc4OC)C1=O,0.0
36684,CO-ADD:0250286,4.77,c1(c2cc(OC)c(OC)c1)C(=O)OC(C(C)Oc3ccccc3)=N2,0.0
36685,CO-ADD:0255345,4.77,C(=C/c1cc(ccc1N2CCC(CC2C)C)[N+](=O)[O-])(/C(=O)NC(N3)=S)\C3=O,0.0
36686,CO-ADD:0250279,4.77,N1(CC(=O)N(CC)CC)c(ccc(c2)Cl)c2OC1=O,0.0
36687,CO-ADD:0255729,4.77,N1(c2cccc(Cl)c2)C(=O)c3c(N=C1c(cc4)ccc4[N+](=O)[O-])cccc3,0.0
36688,CO-ADD:0255999,4.77,C(C(OC)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
36689,CO-ADD:0253666,4.77,n1(nnc(C(NN)=O)c1Cn(cnc2[N+](=O)[O-])n2)c3nonc3N,0.0
36690,CO-ADD:0256488,4.77,N1C(=O)\C(\SC1=N)=C\c2cc(Br)ccc2OCc3ccc(cc3Cl)Cl,0.0
36691,CO-ADD:0255521,4.77,N1(N=C(CC1(O)c2ccc(cc2)OC)CC)C(=O)c3ccccc3OC,0.0
36692,CO-ADD:0249878,4.77,C(C(OC)=O)(C1c2ccc(cc2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cccc4C(F)(F)F)c4,0.0
36693,CO-ADD:0247984,4.77,n1(c2ccccc2)c(S)nnc1c3cccc(Cl)c3,0.0
36694,CO-ADD:0247994,4.77,c1(C(=O)OCC(=O)Nc(cc2)ccc2C(OC)=O)cc(c3o1)cccc3,0.0
36695,CO-ADD:0248170,4.77,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)\N=C/c(ccc4c5ccc(cc5)Cl)o4)n1,0.0
36696,CO-ADD:0247865,4.77,s1c(C2CCCCC2)nnc1NC(CCCC)=O,0.0
36697,CO-ADD:0253002,4.77,c(Nc1ccccc1)(nc(NCc2ccco2)nc3Nc4ccccc4)n3,0.0
36698,CO-ADD:0255232,4.77,N1(c2cccc(Cl)c2)C(=O)CC(N(CCc(cc3)ccc3S(N)(=O)=O)C(C)=O)C1=O,0.0
36699,CO-ADD:0255180,4.77,n1(c2ccccc2)c(SCc3ccccc3Cl)nnc1c4ccccc4,0.0
36700,CO-ADD:0255179,4.77,c12c(c3c(cccc3)OC1=O)nc(c4ccc(cc4)OC)nc2NC(C)=O,0.0
36701,CO-ADD:0249585,4.77,S(=O)(=O)(NCc1ccccc1)c2cccc(nsn3)c23,0.0
36702,CO-ADD:0254885,4.77,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4[N+](=O)[O-])Cl)c4)\C1=O,0.0
36703,CO-ADD:0254694,4.77,C(=NCC1)(N1C(=C2C(C)=O)C)S2.Cl,0.0
36704,CO-ADD:0249385,4.77,c1(ccccc1NC(=O)c2cccc(c2)OC(C)=O)C(O)=O,0.0
36705,CO-ADD:0249177,4.77,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\C=C\c(cc3)ccc3N(C)C,0.0
36706,CO-ADD:0249251,4.77,N1(c(cc2)ccc2C(=O)c(cc3)ccc3C(=O)c(cc4)ccc4N5C(=O)c(c6C5=O)ccc(c6)[N+](=O)[O-])C(=O)c(c7C1=O)ccc(c7)[N+](=O)[O-],0.0
36707,CO-ADD:0252534,4.77,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc4c(cccc5C(O)=O)c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
36708,CO-ADD:0255160,4.77,c12c(c(c3s1)c(C)cc(COC)n3)nc(n(c4c(cccc4)n5)c25)C,0.0
36709,CO-ADD:0255079,4.77,c(cc(cc1)NC(=O)\C=C\c(cc2)ccc2c3ccc(cn3)CCCCC)(Cc(c45)cccc4)c15,0.0
36710,CO-ADD:0254614,4.77,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc4c5ccc(cc5)Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
36711,CO-ADD:0252250,4.77,N(c1c(ccc(Cl)c1)C(O2)=O)=C2c3ccc(cc3)OC(C)=O,0.0
36712,CO-ADD:0253930,4.77,n1(c2c(n3C)cccc2)c3nc(c4ccccc4)c1N=O,0.0
36713,CO-ADD:0256371,4.77,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c3cc(Br)cc(Br)c3OCc4ccc(cc4Cl)Cl,0.0
36714,CO-ADD:0253945,4.77,c1(N\N=C\c2ccc(cc2Cl)Cl)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
36715,CO-ADD:0256382,4.77,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(cc3)ccc3F,0.0
36716,CO-ADD:0250015,4.77,N1C(SCC(=O)Nc2nnc(CC)s2)=NN=C(C)C1=O,0.0
36717,CO-ADD:0253822,4.76,N1(CCc(c2C1)cccc2)C(=O)c(cc(cc3C(=O)N4CCc(c5C4)cccc5)[N+](=O)[O-])c3,0.0
36718,CO-ADD:0249886,4.76,N1(c2ccc(cc2)Cl)C(=O)CC(N(CCc(ccc(c3OC)OC)c3)C(=O)\C=C\C(O)=O)C1=O,0.0
36719,CO-ADD:0250006,4.76,c1(C(=O)N\N=C\c(ccc2c(cc3)c(C)c(c3[N+](=O)[O-])C)o2)nonc1N,0.0
36720,CO-ADD:0257115,4.76,n1(c(C)c(nn1)C(O)=O)c2nonc2N,0.0
36721,CO-ADD:0256763,4.76,c(C#N)(c(N([H])[H])n(n1)CCO[H])c1\C(\C#N)=C\c(ccc(c2OC)OCC)c2,0.0
36722,CO-ADD:0255707,4.76,C1(\N=C(\c(cccc2)c2CC3(C)C)/N3)=C(C)N(N(c4ccccc4)C1=O)C,0.0
36723,CO-ADD:0255364,4.76,N1(CCC(c(cccc2)c12)=O)C(=O)\C=C\c3ccccc3,0.0
36724,CO-ADD:0254491,4.76,S(CCCC)(=O)(=O)\C=C\C=C/S(CCCC)(=O)=O,0.0
36725,CO-ADD:0254481,4.76,[N+](=O)([O-])c1cccc(C(=O)COC(CCc2ccccc2)=O)c1,0.0
36726,CO-ADD:0253069,4.76,c1(NC(CCCCCCCC(=O)Nc2sc(c3n2)CCCC3)=O)sc(c4n1)CCCC4,0.0
36727,CO-ADD:0253092,4.76,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c(cc4)ccc4F)n1,0.0
36728,CO-ADD:0252687,4.76,C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)c(n1)nc(nc1C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F,0.0
36729,CO-ADD:0252586,4.76,N(=C(/SCC(=O)Nc1ccccc1OC)\SCC(=O)Nc2ccccc2OC)/C#N,0.0
36730,CO-ADD:0247927,4.76,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C\c(cc4)ccc4OCc5ccc(cc5Cl)Cl,0.0
36731,CO-ADD:0248128,4.76,c12c(nnc(SCCN3CCCCC3)n1)c4c(cccc4)n2CCC,0.0
36732,CO-ADD:0254314,4.76,N(C(=O)\C(\S1)=C/c2cccc(cccc3)c23)=C1N4CCCCC4,0.0
36733,CO-ADD:0249667,4.76,C1(C(F)(F)F)(C(F)(F)F)N=C(OC(N2CCCCC2)=N1)C(F)(F)C(F)(F)F,0.0
36734,CO-ADD:0249753,4.76,C1(=O)OCCN1CCNC(=O)C(NCCN2CCOC2=O)=O,0.0
36735,CO-ADD:0255032,4.76,N(=C\c(cc1)ccc1OC(C2)CS2)/c3ccc(cc3OC)OC,0.0
36736,CO-ADD:0252776,4.76,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(ccc(c4OC)C)c4,0.0
36737,CO-ADD:0254397,4.76,c1(N(c2ccccc2)C3=O)n(nnn1)C(=C34)c5c(CC46CCCCC6)cccc5,0.0
36738,CO-ADD:0254315,4.76,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
36739,CO-ADD:0252888,4.76,N1(Cc(cccn2)c2)C(=O)c3c(cc(cc3)Oc(ccc(c4C5=O)C(N5Cc(cccn6)c6)=O)c4)C1=O,0.0
36740,CO-ADD:0250008,4.76,c1(C#N)c2c(sc1\N=C\c(ccc3c4ccccc4Cl)o3)CCC2,0.0
36741,CO-ADD:0250032,4.76,C(F)(F)(F)c1ccccc1NC(=O)CCN(CC2)CCN2C,0.0
36742,CO-ADD:0255827,4.76,c1(C#N)c2c(sc1\N=C\c3ccc(C)s3)CCC2,0.0
36743,CO-ADD:0256079,4.76,c1(N(CC2)CCO2)nc(N\N=C/c3cccc(I)c3)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
36744,CO-ADD:0255480,4.76,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])c3c(OC)ccc(OC)c3,0.0
36745,CO-ADD:0255520,4.76,C(=C(/CC)\Nc1cccc(O)c1)/C(=O)c2ccc(cc2)OC,0.0
36746,CO-ADD:0256260,4.76,N(CC(N1OC(C)C)=O)(C(=O)Nc2ccccc2)C1c3ccccc3,0.0
36747,CO-ADD:0256196,4.76,N1(CCc(cccc2)c12)C(=O)COc(ccc(c34)cccc3)c4,0.0
36748,CO-ADD:0253489,4.76,N1(c2ccccc2)C(=O)C(CC1=O)S\C(\NC)=N\C,0.0
36749,CO-ADD:0255302,4.76,C(/CC1)(=C/c(ccs2)c2)\C(=O)\C(\C1)=C\c(ccs3)c3,0.0
36750,CO-ADD:0255665,4.76,S(=O)(=O)(N(CC1)CCO1)c2c(C)ccc(c2)C(=O)Oc(cccc3NC(=O)c4ccc(cc4)OC)c3,0.0
36751,CO-ADD:0250650,4.76,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(Br)ccc5OC(C)C,0.0
36752,CO-ADD:0252253,4.76,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c5ccc(cc5)CC)n4.Br,0.0
36753,CO-ADD:0247544,4.76,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
36754,CO-ADD:0247367,4.76,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3)cc(c3OC(=O)c4cc(F)c(cc4Cl)F)OC,0.0
36755,CO-ADD:0247848,4.76,n1(Cc2ccccc2)c(N)cc(c3ccc(cc3)C)n1,0.0
36756,CO-ADD:0247903,4.76,C(C(=O)OC1CCCC1)(C2c3ccc(cc3)OC)=C(C)NC(CCCC4=O)=C24,0.0
36757,CO-ADD:0252424,4.76,S(=O)(=O)(c1ccc(cc1)\N=C\c(ccc(c2OCC)OCc3ccccc3)c2)Nc4ccccn4,0.0
36758,CO-ADD:0252359,4.76,C(/C#N)(\N=C\c(cc1)ccc1OC(=O)c(cc2)ccc2C3CCC(CC3)CCCCC)=C(\N)/C#N,0.0
36759,CO-ADD:0249338,4.76,c1(nonc1N)N(Cc(cc2)ccc2OC)N=Nc3nonc3N,0.0
36760,CO-ADD:0247463,4.76,C1(C(C1)CCCCCCCCC)C(=O)Nc(cccc2C(F)(F)F)c2,0.0
36761,CO-ADD:0255150,4.76,C12c3c(cccc3)C(C(C)C1C(=O)Nc4cccc(Cl)c4C)c(cccc5)c25,0.0
36762,CO-ADD:0247667,4.76,c(c1)(c(N(C)C)cc(OC)c1C(=O)O\N=C(/CC2N(C3CC2)C)\C3)[N+](=O)[O-].Cl,0.0
36763,CO-ADD:0249170,4.76,C(=O)(OC(C)(C)C)N\N=C(/C)\CC(=O)NC1CCCC1,0.0
36764,CO-ADD:0247674,4.76,c1(SCC(=O)N\N=C\c(cc2)ccc2OC)ncccn1,0.0
36765,CO-ADD:0137557,4.76,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC=NC=C3)=O)C=C1C(NC4=CN(CCCN5CCN(CC6=CC=CC7=CC=CC=C76)CC5)C(C(NCCN8CCOCC8)=O)=C4)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
36766,CO-ADD:0133868,4.76,O=C(c1n(CCc2ccc(C)cc2)cc([N+](=O)[O-])n1)N,0.0
36767,CO-ADD:0133866,4.75,O=C(c1n(CC2CCCCC2)cc([N+](=O)[O-])n1)N,0.0
36768,CO-ADD:0133864,4.75,c1n(Cc2ccc(F)cc2)c(C(=O)N)nc1[N+](=O)[O-],0.0
36769,CO-ADD:0256048,4.75,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3O)nc(Nc(cc4)ccc4F)n1.Cl,0.0
36770,CO-ADD:0256601,4.75,[N+](=O)([O-])c1ccccc1\C=N/c2ccccc2C#N,0.0
36771,CO-ADD:0253733,4.75,N1(c2cccc(Cl)c2)C(=O)\C(\SC1=S)=C/C=C/c(cc3)ccc3[N+](=O)[O-],0.0
36772,CO-ADD:0256775,4.75,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c(ccc(c2OCC)OCc3ccc(cc3Cl)Cl)c2)F,0.0
36773,CO-ADD:0255873,4.75,N(CN1CCCCC1)(N=C(N2C)c3cccc(OC)c3)C2=S,0.0
36774,CO-ADD:0255515,4.75,N1(c2ccc(cc2)I)C(=O)C(CC1=O)NCc3ccco3,0.0
36775,CO-ADD:0250301,4.75,c12n(ncn1N)c(nn2)SCC(c3ccccc3)=O,0.0
36776,CO-ADD:0249935,4.75,C1(C#N)(C#N)C(c2ccccc2OC)C3C(C(C#N)=C1N)=CCCC3,0.0
36777,CO-ADD:0253351,4.75,N1=C(c2ccc(cc2)C)S\C(=C/c3ccccc3OCC(OC(C)C)=O)\C1=O,0.0
36778,CO-ADD:0253390,4.75,c12c(c3c(NC(c4ccc(c(OCC)c4)O)O1)cccc3)nnc(SCCC)n2,0.0
36779,CO-ADD:0247992,4.75,N1(C(=C)C(OC1=O)(C)C)c2nc(C)cc(C)n2,0.0
36780,CO-ADD:0252471,4.75,N(C(=O)COC(=O)C(CCSC)NC(c1ccccc1)=O)(c2c3cccc2)c4c(S3)cccc4,0.0
36781,CO-ADD:0252378,4.75,c1(c(O)nc(c(c2ccccc2)n1)c3ccccc3)[N+](=O)[O-],0.0
36782,CO-ADD:0247866,4.75,s1c(C2CCCCC2)nnc1NC(=O)c3cccs3,0.0
36783,CO-ADD:0252676,4.75,S(=O)(=O)(c(cc1)ccc1c(cc2)ccc2S(=O)(=O)c3ccc(cc3)C)Oc(ccc(c4C)C)c4,0.0
36784,CO-ADD:0252599,4.75,C(F)(C(F)(F)F)(C(=O)Nc(cc1)ccc1OC)OC(F)(F)C(F)(F)C(F)(F)F,0.0
36785,CO-ADD:0252236,4.75,c12c(ccc(c1)\N=C\c(cc3)ccn3)c4c(cccc4)o2,0.0
36786,CO-ADD:0253118,4.75,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
36787,CO-ADD:0254587,4.75,C(=S)(N1CCCCC1)c(cc2Br)cc(c2OCc3ccccc3)Br,0.0
36788,CO-ADD:0248906,4.75,C1(C(=O)OC2CCCCC2)=C(C)NC(=O)NC1c3ccc(cc3)Cl,0.0
36789,CO-ADD:0249530,4.75,C1(C(c2ccc(cc2)OCC=C)C3C(=O)CC(CC3=O)(C)C)=C(O)CC(C)(C)CC1=O,0.0
36790,CO-ADD:0249542,4.75,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(CC1=O)S\C(\N)=N\c3ccccc3,0.0
36791,CO-ADD:0249173,4.75,[N+](=O)([O-])c1ccccc1C(=O)NNC(=O)\C=C\c2ccccc2,0.0
36792,CO-ADD:0254684,4.75,N1(C(c2ccccc2)CC(c3ccccc3)=N1)C(=N)SC(CC(N4c5cccc(Cl)c5)=O)C4=O,0.0
36793,CO-ADD:0255658,4.75,S(=O)(=O)(N1CCCCCC1)c(ccc(c2C(=O)Oc(cccc3NC(c4ccccc4)=O)c3)Cl)c2,0.0
36794,CO-ADD:0256807,4.75,c1(c2cccc(cccc3)c23)[nH]c(c(c4ccc(cc4)OC)n1)c5ccc(cc5)OC,0.0
36795,CO-ADD:0253960,4.75,S(=O)(=O)(N(c1ccccc1)CC(=O)Nc2ccccc2OC)c3ccccc3[N+](=O)[O-],0.0
36796,CO-ADD:0256903,4.75,C(F)(F)(F)c(ccc(n1)N\N=C\c(cc2)ccc2OCc3ccccc3)c1,0.0
36797,CO-ADD:0256663,4.75,C1(C(=O)OCC(C)C)=C(C)NC(NC1c2ccc(c(OC)c2)O)=O,0.0
36798,CO-ADD:0256687,4.75,N12C(S\C(=C\c(cccn3)c3)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)ccc4OC,0.0
36799,CO-ADD:0255284,4.75,N1(c2ccc(c(C)c2)C)C(=O)c3c(N=C1c(cc4)ccc4[N+](=O)[O-])cccc3,0.0
36800,CO-ADD:0255333,4.75,N1(C)C(CC(N(C)C1=O)=O)P(c2ccccc2)(c3ccccc3)=O,0.0
36801,CO-ADD:0255338,4.75,c(C(=O)c1ccc(cc1)Cl)(sc(c23)nc(c(C#N)c2c4ccccc4I)N)c3N,0.0
36802,CO-ADD:0256991,4.75,N1C(=O)c2c(cc(cc2)\N=C\c3ccc(cc3Cl)Cl)C1=O,0.0
36803,CO-ADD:0253762,4.75,C1(O)(CC(=O)c(cc2OC)cc(c2OC)OC)c3c(NC1=O)cccc3,0.0
36804,CO-ADD:0256697,4.75,P(OCC)(OCC)(=O)c1cccc(O)c1,0.0
36805,CO-ADD:0253127,4.75,N(CN1CCCCC1)(C2=S)N=C(N2c3ccccc3)c4ccco4,0.0
36806,CO-ADD:0252945,4.75,C(CSc1ccccn1)(=O)N\N=C\c2cccc(F)c2,0.0
36807,CO-ADD:0247363,4.75,S(c1ccccc1)(=O)(=O)c(cc2)ccc2c(nnc3c4ccccc4Cl)o3,0.0
36808,CO-ADD:0247966,4.75,N1(NC(=O)c2ccc(cc2Cl)Cl)C(=O)C(C3C1=O)C(C=C4)C5(C34)CC5,0.0
36809,CO-ADD:0248178,4.75,c1(SCC(=O)Nc(cc2)ccc2C(C)C)[nH]c(c3n1)cccc3,0.0
36810,CO-ADD:0248164,4.75,c1(N\N=C(/C)\c2ccccc2)c3c(cccc3)c(nn1)Cl,0.0
36811,CO-ADD:0247385,4.75,n1(nnc(C(=O)N\N=C(/C)\C)c1CN(CC2)CCO2)c3nonc3N,0.0
36812,CO-ADD:0254610,4.75,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc5c6ccc(cc6[N+](=O)[O-])Cl)o5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
36813,CO-ADD:0247502,4.75,C(F)(F)(F)c(ccc(n1)N\N=C(/C)\c(cc2)ccc2c3ccccc3)c1,0.0
36814,CO-ADD:0247706,4.75,N(=C(/C1)\c2c(CC1)cccc2)/NC(C3CCCCC3)=O,0.0
36815,CO-ADD:0254987,4.75,c1(O)c(Br)cc(cc1Br)\C=N\NC(=O)c2ccc(c(O)c2)I,0.0
36816,CO-ADD:0248017,4.75,c1(SCC(=O)Nc(cc2)ccc2CC)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
36817,CO-ADD:0254641,4.75,N1(CNc(cc2)ccc2I)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
36819,CO-ADD:0250362,4.74,C(=N/c1ccc(cc1C)C)(/S\C(\C2=O)=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3)\N2,0.0
36820,CO-ADD:0250211,4.74,n1(nnc(C(=O)N\N=C/c2ccc(Br)s2)c1CN(CC3)CCO3)c4nonc4N,0.0
36821,CO-ADD:0250728,4.74,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(cc(OCO3)c3c4)c4Cl)\N2c5ccccc5,0.0
36822,CO-ADD:0255379,4.74,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5)ccc5OCc6ccc(cc6Cl)Cl)\C1=O)=NC(C)=C2C(OCC)=O,0.0
36823,CO-ADD:0255691,4.74,c1(OCc2ccccc2)c(OCc3ccccc3)cc(cc1OCc4ccccc4)C(N)=O,0.0
36824,CO-ADD:0255684,4.74,c1(Nc2ccccc2Cl)sc(c(c3ccc(c(Cl)c3)Cl)n1)CCC,0.0
36825,CO-ADD:0255896,4.74,S(=O)(=O)(N1CCC(c2ccccc2)C1)c3c(Cl)ccc(Cl)c3,0.0
36826,CO-ADD:0256290,4.74,c1(c2ccccc2)coc(cc(OC(=O)C=C3C)c34)c1c4,0.0
36827,CO-ADD:0253612,4.74,S(C)(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-],0.0
36828,CO-ADD:0253360,4.74,C(=C/c(ccc(c1OCC)O)c1)(/C(=O)NN2c3cccc(Cl)c3)\C2=O,0.0
36829,CO-ADD:0253400,4.74,c1(NC(C)=O)sc2c(ccc(Br)c2OCC(O)CN3CCCCC3)c1C(OCC)=O,0.0
36830,CO-ADD:0253673,4.74,C12=C(C(NC(c3cccs3)N1)=O)SC(=S)N2c4ccccc4,0.0
36831,CO-ADD:0253227,4.74,c1(NC(=O)C(CC)Sc2sc(c3n2)cccc3)sc(c4c1C#N)CCCC4,0.0
36832,CO-ADD:0257079,4.74,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCNCC(C)O,0.0
36833,CO-ADD:0252706,4.74,c1(N\N=C\c2ccc(cc2O)OC)nc(cccc3)c3nc1N\N=C\c4ccc(cc4O)OC,0.0
36834,CO-ADD:0252633,4.74,c1([N+](=O)[O-])nc(n(CC(C)C)c1C(OCCCl)=O)C(C)C,0.0
36835,CO-ADD:0254569,4.74,c1(non2)c2nc(NC3CCCCC3)c(NC4CCCCC4)n1,0.0
36836,CO-ADD:0252275,4.74,C(C(OC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccccc3OCc4ccccc4,0.0
36837,CO-ADD:0247562,4.74,C1(C2c3ccc(cc3)Cl)=C(CC(c4ccccc4)CC1=O)NC(C)=C2C#N,0.0
36838,CO-ADD:0247566,4.74,n1c2c([nH]c1\C=N\NC(=O)c3ccc(cc3)Br)cccc2,0.0
36839,CO-ADD:0247351,4.74,c1(nc(c2n1CC(=O)N\N=C/c(cc3Br)cc(c3O)Br)cccc2)c4nonc4N,0.0
36840,CO-ADD:0248179,4.74,c1(SCC(NCCc(ccc(c2OC)OC)c2)=O)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
36841,CO-ADD:0249171,4.74,c1(ccc(cc1OC)OC)C(=O)NNC(=O)\C=C\c2ccccc2,0.0
36842,CO-ADD:0254480,4.74,C1(CC\C(\C)=N\NC(CCCCCCC)=O)=C(C)CCCC1(C)C,0.0
36843,CO-ADD:0249319,4.74,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)Nc(cc4)ccc4I,0.0
36844,CO-ADD:0249025,4.74,S1(=O)(=O)c(cccc2)c2C(SCCOC(=O)c3ccc(cc3)Cl)=N1,0.0
36845,CO-ADD:0249555,4.74,n1(nnc(C(=O)N\N=C\c(cc2)ccc2OCCCCC)c1CN(CC3)CCO3)c4nonc4N,0.0
36846,CO-ADD:0249648,4.74,c1(c2ccco2)nc(n3c1\N=C\c4ccccc4OCc5ccc(cc5Cl)Cl)cccc3,0.0
36849,CO-ADD:0254065,4.74,C(=O)(c(cc1)ccc1c2ccccc2)NNC(=O)\C=C\c3ccccc3,0.0
36850,CO-ADD:0250348,4.74,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)Nc2c(C)cccc2C,0.0
36851,CO-ADD:0255343,4.74,C(=C/c1cc(ccc1N2CCC(CC2C)C)[N+](=O)[O-])(/C(=O)NC(N3)=O)\C3=O,0.0
36852,CO-ADD:0250557,4.74,S1(=O)(=O)c(cccc2)c2C(N(CCOC(=O)c3ccccc3Br)c4ccccc4Cl)=N1,0.0
36853,CO-ADD:0250317,4.74,c1(OC)c(OC)cc(cc1OC)\C=N\NC(=O)C(c2ccccc2)c3ccccc3,0.0
36854,CO-ADD:0253496,4.74,C(C(OCC)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
36855,CO-ADD:0255947,4.74,S(=O)(=O)(c(cccc1C(=O)Nc(cc2)ccc2F)c1)Nc3cccc(F)c3,0.0
36856,CO-ADD:0256246,4.73,N(CCN1S(C)(=O)=O)(C1c2ccccc2)S(=O)(=O)c3ccc(cc3)C,0.0
36857,CO-ADD:0256942,4.73,c1(c2ccccc2)[nH]c3c(ccc(c3)NC(C)=O)n1,0.0
36858,CO-ADD:0253938,4.73,C(/C1CC1)(\C=C\c(cc2)ccc2Cl)=C(\C#N)/C#N,0.0
36859,CO-ADD:0256551,4.73,N1(c(cc2Cl)cc(c2N)Cl)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
36860,CO-ADD:0256023,4.73,o(c(c1ccccc1)nn2)c2c3cccc(OC)c3,0.0
36861,CO-ADD:0256134,4.73,N1(c2cccc(Cl)c2C)C(CC(C)(C)CC3=O)=C3C(C(C(OC)=O)=C1N)c4ccc(cc4)Br,0.0
36862,CO-ADD:0256199,4.73,N1(c2ccccc2C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C(OCC)=O)=C1N)c(cc4OC)cc(c4OC)OC,0.0
36863,CO-ADD:0255921,4.73,C1(C(OCCSC)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
36864,CO-ADD:0255317,4.73,C(=N)(N1CCCCCC1)\C(\C#N)=N\Nc(cc2)ccc2Cl,0.0
36865,CO-ADD:0250404,4.73,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5)OCc6c(cccc6F)Cl,0.0
36866,CO-ADD:0250614,4.73,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=S)=C/c3c4c([nH]c3C)cccc4,0.0
36867,CO-ADD:0248124,4.73,n(c1C)(nnc1C(=O)N\N=C\c2ccccn2)c3nonc3N,0.0
36868,CO-ADD:0248105,4.73,n1(nnc(C(=O)N\N=C\c(cc2)ccn2)c1CN3CCCCC3)c4nonc4N,0.0
36869,CO-ADD:0252671,4.73,C(=O)(c(cc1)ccc1C(=O)NN(c2ccccc2)Cc3ccccc3)NN(c4ccccc4)Cc5ccccc5,0.0
36870,CO-ADD:0254539,4.73,c12n(ncc1c3ccccc3)c(cc(c4ccccc4)n2)c5ccccc5,0.0
36871,CO-ADD:0253025,4.73,N1(c2ccccc2OCC)C(=O)C(C3C1=O)C(CC)(C(C34CC)=O)C(=C4c5ccccc5)c6ccccc6,0.0
36872,CO-ADD:0253022,4.73,c1(C#N)c(N)nc(cc1c2cccc(Br)c2)c3ccccc3,0.0
36873,CO-ADD:0253049,4.73,C1(C#N)(C#N)C(C1(C#N)C#N)C(C)=O,0.0
36874,CO-ADD:0247721,4.73,C(F)(F)(F)CCP(CCC(F)(F)F)(CCC(F)(F)F)=O,0.0
36875,CO-ADD:0249762,4.73,S(=O)(=O)(c1ccc(cc1)NC(OCC2CCCO2)=O)\N=C(\N)/N,0.0
36876,CO-ADD:0254643,4.73,c12c(ccc(c1)NC(=O)c3cccc(c4ccc(cc4)OC)c3)c5c(cccc5)o2,0.0
36877,CO-ADD:0247632,4.73,P(OC(C)C)(OC(C)C)(=S)SCC(=O)\C(\C(OCC)=O)=N\Nc(cc1)ccc1OC,0.0
36879,CO-ADD:0248055,4.73,C(Nc(ccc(c1Cl)F)c1)(C(OCC)=O)(C(F)(F)F)NC(c2ccccc2)=O,0.0
36880,CO-ADD:0254009,4.73,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc4OC)cc(c4OC)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
36881,CO-ADD:0250411,4.73,C(/S\C(\C1=O)=C/c(ccc2c3ccc(c(Cl)c3)C)o2)(=N\C(C)=O)\N1,0.0
36882,CO-ADD:0254034,4.73,c(C([H])=O)(cn(n1)Cc2ccc(cc2Cl)Cl)c1c3ccccc3,0.0
36883,CO-ADD:0254082,4.73,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cc3)ccc3[N+](=O)[O-])c4sc(c5c4C#N)CCCCC5,0.0
36884,CO-ADD:0250644,4.73,n1(CC)c2c(c(cc(cc3)\C=N\c(cc4)ccc4O)c13)cccc2,0.0
36885,CO-ADD:0253371,4.73,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c4c(O)ccc(cccc5)c45,0.0
36886,CO-ADD:0255636,4.73,S(=O)(=O)(c1ccc(cc1)NC(=S)NC(=O)\C=C\c(cc2)ccc2Br)Nc3cc(OC)nc(OC)n3,0.0
36887,CO-ADD:0255373,4.73,C(c1ccc(cc1)OCCCC)(NC(Cc2ccccc2)=O)NC(Cc3ccccc3)=O,0.0
36888,CO-ADD:0255759,4.73,C1(C)(CCCC2(C)C(NCCNC(=O)C3(C)CCCC4(C)C3CC=C5C4CCC(C(C)C)=C5)=O)C2CC=C6C1CCC(=C6)C(C)C,0.0
36889,CO-ADD:0253851,4.73,n12c(ccc(Cl)c1)nc(C)c2C(=O)N\N=C\c(cc3)ccc3OCc4ccccc4,0.0
36890,CO-ADD:0257103,4.73,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
36891,CO-ADD:0256392,4.73,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(NCCc3ccccc3)=O,0.0
36892,CO-ADD:0250463,4.72,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc(c4OC)OCc5ccccc5Cl)c4)\C1=O,0.0
36893,CO-ADD:0255819,4.72,N1(c(cc2)cc(c2C(O)=O)Cl)C(=O)c3c(cccc3)C1=O,0.0
36894,CO-ADD:0253957,4.72,C(C#N)(C(c(cc1)ccc1N(CC)CC)C2=C(N3c4cccc(C)c4)CCCC2=O)=C3N,0.0
36895,CO-ADD:0255851,4.72,n1c2c(oc1c3ccc(cc3)NC(CSc4[nH]c(c5n4)cccc5)=O)ccc(c2)NC(CSc6[nH]c(c7n6)cccc7)=O,0.0
36896,CO-ADD:0249924,4.72,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c(cc2OC)cc(c2OC)OC,0.0
36897,CO-ADD:0253236,4.72,c12c(nnc(SC(CC)C(=O)Nc3sc(c4c3C#N)CCCC4)n1)c5c(cccc5)n2CC,0.0
36898,CO-ADD:0248263,4.72,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cc(Br)ccc4OCc5ccccc5,0.0
36899,CO-ADD:0252319,4.72,C1(C2=O)=C(C=C(C)NC1=O)C(=NN2Cc3ccccc3)Cc4ccco4,0.0
36900,CO-ADD:0248249,4.72,s1c(C2CCCCC2)nnc1NC(=O)c3ccccc3C,0.0
36901,CO-ADD:0248287,4.72,n1(c2ccccc2)c(S)nnc1c3cccc(Br)c3,0.0
36902,CO-ADD:0248094,4.72,c1(NC(CSC2=NCCS2)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
36903,CO-ADD:0252573,4.72,C(=O)(C(CC(=O)N\N=C\c(ccc(c1OC)OC)c1)NC(=N2)Cc3ccccc3)N2,0.0
36904,CO-ADD:0247587,4.72,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(N)c3)n1,0.0
36905,CO-ADD:0254953,4.72,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccc(cccc5)c45,0.0
36906,CO-ADD:0254826,4.72,c1([C@@]2([H])c3ccccc3C(F)(F)F)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
36907,CO-ADD:0247771,4.72,C(=O)(N\N=C\c(cc1)ccc1OC(=O)\C=C\c2ccco2)c3ccc(cc3)Cl,0.0
36908,CO-ADD:0247763,4.72,c1(ncnc(N\N=C\c(cc2)ccc2Br)c1)N3CCCCC3,0.0
36909,CO-ADD:0254795,4.72,c1(c2ccccc2Br)nnc(N)s1.Cl,0.0
36910,CO-ADD:0248956,4.72,N1(c(cc2)ccc2C3(c(cc4)ccc4N5C(=O)c(c6C5=O)cccc6[N+](=O)[O-])c7c(c(cccc8)c38)cccc7)C(=O)c(c9C1=O)cccc9[N+](=O)[O-],0.0
36911,CO-ADD:0249587,4.72,S(=O)(=O)(N(CC1)CCN1c2ccccc2)c3cccc(nsn4)c34,0.0
36912,CO-ADD:0255673,4.72,c1(NC(C)=O)sc2c(ccc(Br)c2OCCN(CC)CC)c1C(OCC)=O,0.0
36913,CO-ADD:0250110,4.72,c1(SCC(=O)Nc2cccc(cccc3)c23)nc(c4ccccc4)cc(c5ccccc5)n1,0.0
36914,CO-ADD:0253228,4.72,c1(NC(=O)C(CC)Sc2[nH]c(c3n2)cccc3)sc(c4c1C#N)CCCC4,0.0
36915,CO-ADD:0253478,4.72,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(F)c5,0.0
36916,CO-ADD:0253784,4.72,n1(c2ccccc2)c(SCC(=O)NCC3CCCO3)nnc1c4cccc(F)c4,0.0
36917,CO-ADD:0253560,4.72,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc(n5c6ccc(cc6)Br)C)c5C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
36918,CO-ADD:0253463,4.72,C(=C/c(cc1)ccc1N(CC2)CCO2)(/C(C)=NN3c4ccccc4)\C3=O,0.0
36919,CO-ADD:0250607,4.72,c1(SCC)nc(c2n1CC(=O)NC(c3ccccc3)c4ccccc4)cccc2,0.0
36920,CO-ADD:0250343,4.72,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)Nc2c(OC)ccc(Cl)c2,0.0
36921,CO-ADD:0255845,4.72,C(=C/NCCCCCCC)(/C1=O)\Sc(c12)ccc(OCC)c2,0.0
36922,CO-ADD:0255663,4.72,S(=O)(=O)(c(cccc1C(=O)Oc(cccc2NC(=O)c3ccc(cc3)Br)c2)c1)N4CCCCC4,0.0
36923,CO-ADD:0253265,4.72,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c3c[nH]nc3c4ccccc4)\N2c5ccccc5,0.0
36924,CO-ADD:0256569,4.72,n1(c2ccccc2)c(SCc(cc3)ccc3C(O)=O)nnc1c(cc4)ccc4C(C)(C)C,0.0
36925,CO-ADD:0256538,4.72,C1(\N=C\c(c(cccc2)c2n3Cc4ccccc4)c3)=C(C)N(N(c5ccccc5)C1=O)C,0.0
36926,CO-ADD:0250643,4.72,C1(c2c(C)cc(cc2C)C)N(c3ccccc3)CCN1c4ccccc4,0.0
36927,CO-ADD:0250253,4.72,N(c1ccccc1Br)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
36928,CO-ADD:0256948,4.72,c1(C(F)(F)F)nc(sc1c2ccccn2)NC(=O)c3cccc(OC)c3,0.0
36929,CO-ADD:0253660,4.72,n1c(c2ccc(cc2)Br)csc1N\N=C\c3ccccc3OC(=O)c4ccc(cc4)Cl,0.0
36930,CO-ADD:0253014,4.72,n1(nnc(C(=O)N\N=C(/c2c3cccc2)\c4c3cccc4)c1c(cccc5[N+](=O)[O-])c5)c6nonc6N,0.0
36931,CO-ADD:0255196,4.72,c1(N2CCCCC2)nc(N\N=C/c(ccc3c4cccc(Cl)c4Cl)o3)nc(Nc5ccccc5)n1,0.0
36932,CO-ADD:0253038,4.72,[N+](=O)([O-])c1cc(ccc1O)\C=N\c(ccc(c2s3)nc3SCc(cc4)ccc4Br)c2,0.0
36933,CO-ADD:0252874,4.72,C(=O)(c1ccc(cc1)OCCCCCCCCCC)Oc2ccc(cc2Cc3ccccc3)Cl,0.0
36934,CO-ADD:0247851,4.72,S(=O)(=O)(c1ccc(c2c1)OCCO2)N(Cc3ccccc3)CC(=O)N\N=C\c(ccc(c4OC)O)c4,0.0
36935,CO-ADD:0254421,4.72,S(=O)(=O)(CCSc(cccc1C(=O)Nc2cccc(C)c2)c1)c3ccc(cc3)OC,0.0
36936,CO-ADD:0253066,4.72,c1(cc2C)c(cc2[N+](=O)[O-])c3c(cccn3)C1=O,0.0
36937,CO-ADD:0255101,4.72,C(C)(CNC(N)=O)([N+](=O)[O-])[N+](=O)[O-],0.0
36938,CO-ADD:0254358,4.72,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(cc(OC)c(c3)O)c3Br)nc(NCc4ccco4)n1.Cl,0.0
36939,CO-ADD:0248982,4.71,C(C(OCC)=O)(C(c1ccc(c(O)c1)OC)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
36940,CO-ADD:0249419,4.71,c1(nonc1N)\C(\N)=N/OCC(=O)N(CC2)CCO2,0.0
36941,CO-ADD:0252510,4.71,[C@]1(\C(\C)=N/NC(OCC)=O)(ON=C2C(OCC)=O)[C@H]2CC(C(C34)CC=C(C[C@H](CC5)OC(C)=O)[C@@]35C)[C@]1(C)CC4,0.0
36942,CO-ADD:0252808,4.71,n1(c2ccccc2)c(COc(cc3)ccc3C(C)(C)C)nnc1S,0.0
36943,CO-ADD:0137595,4.71,O=C(NCCC(N)=N)C1=CC(NC(C2=CC(NC(C(C)(C)C)=O)=CN2C)=O)=CN1C.OC(C(F)(F)F)=O,0.0
36944,CO-ADD:0250037,4.71,N(CC1)(CCN1CC(=O)Nc(cc2)ccc2C(OC)=O)c3ccccc3C,0.0
36945,CO-ADD:0250103,4.71,N(CN(CC1)CCO1)(N=C(N2c3ccccc3)COc(cc4)ccc4C5CCCCC5)C2=S,0.0
36946,CO-ADD:0255580,4.71,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])SN(C)C2=O,0.0
36947,CO-ADD:0255620,4.71,C1(C(=O)Nc2ccccc2)=C(O)c3c(cccc3)NC1=O,0.0
36948,CO-ADD:0255630,4.71,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc2ccccc2OC)c3ccc(cc3OC)OC,0.0
36949,CO-ADD:0255879,4.71,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(ccc(c34)c5c(cccc5)o3)c4,0.0
36950,CO-ADD:0253250,4.71,C1(=C(O)CC(C)(C)CC1=O)C(c(ccc2c3c(cccc4)c4n2CC)c3)C5C(=O)CC(CC5=O)(C)C,0.0
36951,CO-ADD:0250157,4.71,c1(ccc(cc1F)\C(\C)=N\NC(=O)c2ccc(cc2)F)N3CCCCC3,0.0
36952,CO-ADD:0253195,4.71,N1(c2ccc(cc2)I)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
36953,CO-ADD:0253307,4.71,N(=C(/C)\c1ccc(cc1)OC)/NC(CSCc(cc2)ccc2OC)=O,0.0
36954,CO-ADD:0249887,4.71,C1(c2ccc(cc2OC)OC)=Nc(c3C(=O)O1)ccc(Br)c3,0.0
36955,CO-ADD:0256771,4.71,n(\N=C\c(ccc1c2cccc(Cl)c2)o1)(c3)cnn3,0.0
36956,CO-ADD:0255473,4.71,N1(CC(=O)[O-])C(C)(O)C(OC1=O)(C)CC\C=C(\C)/C.[Na+],0.0
36957,CO-ADD:0250632,4.71,N1C(=O)\C(\NC1=S)=C/c(c(cccc2)c2n3C)c3,0.0
36958,CO-ADD:0255331,4.71,C(C#N)(C(=CC1(C)C)C(CO1)=NN2c3ccc(cc3)I)=C2N,0.0
36959,CO-ADD:0255737,4.71,S1(=O)(=O)c(cccc2)c2C(NCCOCCOC(=O)c3ccc(cc3Cl)Cl)=N1,0.0
36960,CO-ADD:0255897,4.71,S(=O)(=O)(N(CC1)CCN1Cc2ccccc2)c3c(Cl)ccc(Cl)c3,0.0
36961,CO-ADD:0256777,4.71,N1C(=O)\C(\SC1=N)=C\c(ccc2c(cccc3C(O)=O)c3)o2,0.0
36962,CO-ADD:0252391,4.71,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3OC)OCc4ccc(cc4Cl)Cl)c3)nc(Nc5c(Br)cc(c(Cl)c5)C)n1.Cl,0.0
36963,CO-ADD:0252321,4.71,N(/NC(CC(C)C)=O)=C(\C)/c1ccc(c2c1)cccc2,0.0
36964,CO-ADD:0254558,4.71,c(C(=O)N\N=C\c1ccc(cc1O)C)(c(C)on2)c2c3ccccc3,0.0
36965,CO-ADD:0247877,4.71,N(c1c2cccc1C)=C(c3ccc(cc3)OC(C)=O)OC2=O,0.0
36966,CO-ADD:0254494,4.71,N1(CC(OCCO)=O)C(=O)c(c2C1=O)cccc2,0.0
36967,CO-ADD:0247856,4.71,c1(Sc2cc(ccc2[N+](=O)[O-])N(CC3)CCN3CCO)[nH]c(c4n1)cccc4,0.0
36968,CO-ADD:0254418,4.71,C1(C#N)(C#N)C(C1(C#N)C#N)(C)CC,0.0
36969,CO-ADD:0248060,4.71,c1(C(C(C)C)=O)c(C)[nH]c(C(OCC)=O)c1C,0.0
36970,CO-ADD:0252570,4.71,n1(nnc(C(=O)N\N=C\c(cc2OC)cc(c2O)Br)c1CN3CCCCCC3)c4nonc4N,0.0
36971,CO-ADD:0252840,4.71,c(O)(c(O)c1)c(O)cc1C(=O)N\N=C\c(cc2)ccn2,0.0
36972,CO-ADD:0249591,4.71,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
36973,CO-ADD:0252841,4.71,c1(C#N)c(COC)cc(nc1N\N=C\c(cc2)ccc2F)C,0.0
36974,CO-ADD:0254746,4.71,[N+](=O)([O-])c(cc1)cc(c1c2ccc(\C=N\NC(N)=O)o2)OC,0.0
36975,CO-ADD:0254739,4.71,c1(NC(Cc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3cccc(Cl)c3,0.0
36976,CO-ADD:0253263,4.71,C1(NC(CCCCCN2C(=O)c3c(cccc3)C2=O)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
36977,CO-ADD:0250106,4.71,c1(SCC(OCC(=O)Oc(cc2)ccc2C(OC)=O)=O)nc(C)cc(C)n1,0.0
36978,CO-ADD:0250123,4.71,N1(NC(=O)c2cccc(Br)c2)C(=O)C(C(C34)C1=O)C(c5c3cccc5)c6c4cccc6,0.0
36979,CO-ADD:0253258,4.71,C(=S)(c1ccc(c(O)c1)OC)N(CC2)CCO2,0.0
36980,CO-ADD:0253917,4.71,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c(cc2)ccc2OCc3ccc(cc3Cl)Cl)F,0.0
36981,CO-ADD:0256562,4.71,N1(C(c2ccc(cc2)Cl)CC(c3ccc(cc3)C)=N1)c4scc(c5ccc(c(C)c5)C)n4.Br,0.0
36982,CO-ADD:0256740,4.71,n1(\N=C\c2c[nH]nc2c3ccccc3)nnnc1N,0.0
36983,CO-ADD:0250111,4.71,n1c(N(CC2)CCO2)nc(nc1N3CCC(CC3)C)NC(C)(C)CO,0.0
36984,CO-ADD:0256659,4.71,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)Br)=O,0.0
36985,CO-ADD:0253362,4.71,c1(ccoc1C)C(=O)N\N=C\c2ccc(Br)s2,0.0
36986,CO-ADD:0253378,4.7,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(cc3)OCc(cc4)ccc4F)c5c(C)nn(c6ccccc6)c5O,0.0
36987,CO-ADD:0255467,4.7,S(=O)(=O)(N(CC)CC)CCP(O)(=O)CCS(=O)(=O)N(CC)CC,0.0
36988,CO-ADD:0256884,4.7,C(=C/c(ccc(c1[N+](=O)[O-])N(C)C)c1)(/C(=O)NN2c3ccc(cc3)C)\C2=O,0.0
36989,CO-ADD:0256821,4.7,C(CC(N1Cc2ccccc2)=O)(CC(N3C)=O)(C1)C3=O,0.0
36990,CO-ADD:0257084,4.7,c1(ccc(C)o1)C(=O)Nc(cccc2C(O)=O)c2,0.0
36991,CO-ADD:0250735,4.7,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2)c1)Nc3ccccc3Cl,0.0
36992,CO-ADD:0255273,4.7,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccccc4F,0.0
36993,CO-ADD:0247332,4.7,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CN(CC3)CCO3,0.0
36994,CO-ADD:0255221,4.7,c1(C2(CCCC2)NC)nnnn1c3cccc(Cl)c3,0.0
36995,CO-ADD:0253027,4.7,C(=N\c(cc1)ccc1OC)(/c2c(N3)ccc(C)c2)\C3=O,0.0
36996,CO-ADD:0248189,4.7,[N+](=O)([O-])c1c(NCCC(O)=O)ccc(c1)C(F)(F)F,0.0
36997,CO-ADD:0252955,4.7,S(CCCCCCCCCC)(=O)(=O)N\N=C\c(ccc(c12)OCO1)c2,0.0
36998,CO-ADD:0247837,4.7,c1(cccc(F)c1F)C(=O)Nc(cc(Sc2ccccc2)cc3Sc4ccccc4)c3,0.0
36999,CO-ADD:0252702,4.7,C(C1=O)(C(=O)N(C)C(N2C)=O)=C2NC(N)=C1S(=O)(=O)N(CC)CC,0.0
37000,CO-ADD:0252710,4.7,C(c(ccc(c1C2=O)C(O2)=O)c1)(c(ccc(c3C4=O)C(O4)=O)c3)(C(F)(F)F)C(F)(F)F,0.0
37001,CO-ADD:0252543,4.7,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c4cc(OC)c(cc4[N+](=O)[O-])OCc5ccccc5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
37002,CO-ADD:0254441,4.7,C1(C(c2ccc(cc2)Cl)N(C34C(=O)c(c5C3=O)cccc5)c6ccccc6)(C4c7ccc(cc7)Cl)C(=O)c(c8C1=O)cccc8,0.0
37003,CO-ADD:0249786,4.7,C12(\C=N/c3cccc(Br)c3)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OC)=O)c(cccc7)c27,0.0
37004,CO-ADD:0252493,4.7,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2c(cccc2Cl)Cl)=C/c3cccs3,0.0
37005,CO-ADD:0254653,4.7,S(=O)(=O)(c1ccc(cc1)C)Nc(cc2)ccc2c3oc(c4n3)cccc4,0.0
37006,CO-ADD:0252520,4.7,S(C)(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)N\N=C\c2ccc(cc2OC)OC,0.0
37007,CO-ADD:0256226,4.7,c12c(cccc1N(C)C)c(ccc2N(C)C)C(C)=O,0.0
37008,CO-ADD:0256930,4.7,C(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCN2c3ccccc3OC,0.0
37009,CO-ADD:0255864,4.7,n1(C=C)c(S)nnc1c2cccc(Br)c2,0.0
37010,CO-ADD:0253601,4.7,N1(N(C)C)\C(\C(CC1C#N)C)=C(\C#N)/C#N,0.0
37011,CO-ADD:0253754,4.7,c1(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
37012,CO-ADD:0253434,4.7,c1(nnc(C)s1)NC(=O)c2ccccc2[N+](=O)[O-],0.0
37013,CO-ADD:0255491,4.7,c1(C(OCC)=O)oc(c2c1NC(=O)CN3CCCCC3)ccc(Cl)c2,0.0
37014,CO-ADD:0255524,4.7,N1(C(=O)c2ccc(cc2)Br)N=C(CC1(O)c3ccc(cc3)OC)CC,0.0
37015,CO-ADD:0256231,4.7,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C\c(cc5)ccc5N(C)C)\C6=O)N36)N(C(=O)N1C)C,0.0
37016,CO-ADD:0256960,4.7,[N+](=O)([O-])c1cc(ccc1Sc2cccc3c2cccn3)\C=N\c(cc4)ccc4OCCCCCCCC,0.0
37017,CO-ADD:0256312,4.7,C1(C(=O)OC(C)CC)=C(C)NC(NC1c2cccc(Oc3ccccc3)c2)=O,0.0
37018,CO-ADD:0253565,4.7,c1(Nc2ccccc2)nc(CSc3sc(c4n3)cccc4)nc(N)n1,0.0
37019,CO-ADD:0256916,4.7,C(=O)(N\N=C(/C)\CC(=O)Nc1ccc(cc1Cl)Cl)C(NCCOC)=O,0.0
37020,CO-ADD:0250592,4.7,N1(c2ccccc2C)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
37021,CO-ADD:0254089,4.7,[N+](=O)([O-])c1cccc(c1)\C=C\C(=O)C(C)(C)O,0.0
37022,CO-ADD:0255944,4.7,S(=O)(=O)(c(cccc1S(c2ccccc2)(=O)=O)c1)Nc(cccc3C(C)=O)c3,0.0
37023,CO-ADD:0253486,4.7,N1(c2ccc(cc2)CC)C(CSc3nnnn3c4ccccc4)=Nc(c5C1=O)cccc5,0.0
37024,CO-ADD:0252996,4.7,C(c1ccccc1)(=O)NC(CCSC)C(=O)OCC(=O)Nc2ccc(cn2)Cl,0.0
37025,CO-ADD:0252750,4.7,C(C(OCCN(C)C=O)=O)(=C(C)NC(=C1C(OC)=O)C)C1c(cccc2[N+](=O)[O-])c2,0.0
37026,CO-ADD:0247614,4.7,N1(c(cc2)ccc2C(C)C)C(c(cc3)ccc3C(C)C)Nc(c4C1=O)cccc4,0.0
37027,CO-ADD:0254475,4.7,c1(N=NC(C)(C)[N+](=O)[O-])nonc1N,0.0
37028,CO-ADD:0249527,4.7,n1(nnc(C(=O)N\N=C\c(cc2)ccc2O)c1CN3CCCCCC3)c4nonc4N,0.0
37029,CO-ADD:0249601,4.7,N1(c2ccc(cc2)CCCC)C(c3ccc(cc3)Br)Nc(c4C1=O)cccc4,0.0
37030,CO-ADD:0254304,4.7,N(C(=O)\C(\S1)=C/c(cc2)ccc2Br)=C1N3CCC(CC3)C,0.0
37031,CO-ADD:0254806,4.7,c1(nnc(Cc2ccccc2)s1)NC(=O)c3ccco3,0.0
37032,CO-ADD:0252353,4.7,[N+](=O)([O-])c1c(NCC\N=C\c2ccccc2O)ccc(c1)C(F)(F)F,0.0
37033,CO-ADD:0252517,4.7,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])C)c1)N(c2ccc(cc2)OC)CC(=O)N\N=C(/C)\c3cccs3,0.0
37034,CO-ADD:0249706,4.69,N1(c2ccc(cc2)O)C(=O)c3c(cc(cc3)Oc(cc4)ccc4N)C1=O,0.0
37035,CO-ADD:0249273,4.69,C1(NC(CSc2sc3c(ccc(c3)\N=C\c(cc4)ccc4Br)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
37036,CO-ADD:0250323,4.69,[N+](=O)([O-])c(cc1)ccc1C(=O)O\N=C(\C2)/CCC2,0.0
37037,CO-ADD:0256357,4.69,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(cccc6[N+](=O)[O-])c6)o5,0.0
37038,CO-ADD:0256455,4.69,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2OC)\C(N1c3ccc(cc3)C)=O,0.0
37039,CO-ADD:0256432,4.69,N(CN(CC1)CCN1C(OCC)=O)(N=C(N2c3ccccc3)c4ccc(cc4)OC)C2=S,0.0
37040,CO-ADD:0257176,4.69,C1(=C2CCC1)c(c3)c(OC2=O)cc(occ4c5ccccc5)c34,0.0
37041,CO-ADD:0250318,4.69,N(c1ccccc1[N+](=O)[O-])(C(=O)C2C3C4(OC2(C)C=C4)C)C3=O,0.0
37042,CO-ADD:0250622,4.69,N1(CC)C(=O)\C(\SC1=S)=C/c(cc2OC)cc(c2O)OC,0.0
37043,CO-ADD:0256223,4.69,s1c(c2ccc(cc2)Br)nnc1NC(=O)c3ccccc3F,0.0
37044,CO-ADD:0256020,4.69,N1C(=O)\C(\SC1=O)=C\c(ccc2c(ccc(c3[N+](=O)[O-])Cl)c3)o2,0.0
37045,CO-ADD:0249923,4.69,n1(c(C)nn2)c2c(nc(non3)c13)Nc4c(OC)ccc(OC)c4,0.0
37046,CO-ADD:0255646,4.69,c1(SCC(=O)Nc(cc2)ccc2F)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
37047,CO-ADD:0255755,4.69,C1(C(OCCCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)Cl)=O,0.0
37048,CO-ADD:0250459,4.69,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C\c(cc4OC)cc(c4OCc5ccccc5Cl)I,0.0
37049,CO-ADD:0253873,4.69,n12c(NC(C)=C(CC)C1=O)cc(c3cccc(Br)c3)n2,0.0
37050,CO-ADD:0250733,4.69,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)Oc(cccc2c3cnc(c4n3)cccc4)c2)c1,0.0
37051,CO-ADD:0250311,4.69,C(C(OC)=O)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CCCC4=O)=C14)c5ccc(cc5)F,0.0
37052,CO-ADD:0257059,4.69,c1(O)c(cccc1C2CCCCC2)C3CCCCC3,0.0
37053,CO-ADD:0247447,4.69,n1c2c(cccc2)ccc1SCC(=O)Nc(cc3)ccc3OC,0.0
37054,CO-ADD:0248960,4.69,N1(C(c2ccco2)CC(c3ccc(cc3)OC)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N(CC6)CCO6)n4.Br,0.0
37055,CO-ADD:0248871,4.69,c1(ccc(\C=N\NC(=O)Nc2ccccc2)o1)c3cccc(Cl)c3Cl,0.0
37056,CO-ADD:0255047,4.69,n1c(c2ccc(c(C)c2)C)csc1Nc3cccc(cccc4)c34.Br,0.0
37057,CO-ADD:0255071,4.69,S(N)(=O)(=O)Cc1ccccc1Cl,0.0
37058,CO-ADD:0249240,4.69,N1(c2cccc(Cl)c2)C(=O)C(C3(C)C1=O)C(CC34)C=C4,0.0
37059,CO-ADD:0248280,4.69,c1(C#N)c2c(sc1\N=C\c3cccc(OC)c3O)CCCC2,0.0
37060,CO-ADD:0249720,4.69,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c2cc(Br)cc(OCC)c2O,0.0
37061,CO-ADD:0249721,4.69,N1(C(=O)C(C(C(F)(F)F)=N1)\C=N\CCc(ccc(c2OC)OC)c2)c3sc(c4n3)cccc4,0.0
37062,CO-ADD:0253028,4.69,C12(CC(CC3C1)CC(C3)C2)C(=O)Oc4ccccc4c5ccccc5,0.0
37063,CO-ADD:0249069,4.69,n1c(SCc(cc2)ccc2I)nnn1c3ccccc3,0.0
37065,CO-ADD:0288042,4.69,c1(c2cc(Br)ccc2O)oc(c3n1)c(O)c(cc3C(C)(C)C)C(C)(C)C,0.0
37066,CO-ADD:0288068,4.69,S(Cc(cc(C)c(c1)C)c1CS2)C2c3ccc(cc3)Cl,0.0
37067,CO-ADD:0285814,4.69,N1(C(C)(C)C)C(=O)c(c2C1=O)ccc(c2)C(=O)Nc3cccc(I)c3,0.0
37068,CO-ADD:0285256,4.69,[N+](=O)([O-])c(c1)cc(cc1C(=O)N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])[N+](=O)[O-],0.0
37069,CO-ADD:0285832,4.69,c12c(C(N(C)C(=O)N1C)=O)n(c(n(ccn3)c3)n2)C,0.0
37070,CO-ADD:0286642,4.69,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(=C\c3c(OC)ccc(cccc4)c34)\C(N(c5ccccc5)C1=S)=O,0.0
37071,CO-ADD:0285523,4.69,N1(C2CC2)C(=O)c3c(cc(cc3)F)C1=O,0.0
37072,CO-ADD:0285582,4.69,N1(NC(C(C)C)=O)C(=O)C(C(C1=O)C23C)C(c(c24)cccc4)c(c35)cccc5,0.0
37073,CO-ADD:0285567,4.69,C(CC1)CCC1N(N=NN2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
37074,CO-ADD:0299790,4.69,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(ccc(c3OC)OC)c3)\C1=O)=O,0.0
37075,CO-ADD:0294780,4.69,C(F)(F)(F)c(cc1)ccc1C(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
37076,CO-ADD:0294261,4.69,N(c1ccccc1F)C(COc2cccc(Br)c2)=O,0.0
37077,CO-ADD:0294821,4.68,c(c(NCCCCNc(cc1)ccc1[N+](=O)[O-])c(C)c(c2[N+](=O)[O-])Cl)(c2)[N+](=O)[O-],0.0
37078,CO-ADD:0293635,4.68,c1(C(OCC)=O)c2c(oc1CN3CCC(CC3)C)ccc(OC)c2,0.0
37079,CO-ADD:0294337,4.68,c12n(ncn1N)c(nn2)SCC(=O)Nc3ccc(cn3)C,0.0
37080,CO-ADD:0293660,4.68,N(/Nc1ccccc1)=C\c2ccccc2Cl,0.0
37081,CO-ADD:0292663,4.68,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc(cc4)ccc4Oc(cc(Oc(cc5)ccc5OCC)cc6[N+](=O)[O-])c6)n2,0.0
37082,CO-ADD:0293845,4.68,C(/S\C(\N1c2ccccc2)=N/c(cc3)ccc3C4CCCCC4)(\C1=O)=C(/Sc(c56)cccc5)\N6C,0.0
37083,CO-ADD:0292435,4.68,n12c(S\C(=C\c3ccccc3OCC)\C1=O)nc(cc(C)c(C)c4)c24,0.0
37084,CO-ADD:0295518,4.68,N1C(c2ccc(c(OCC)c2)OCC)SCC1C(O)=O,0.0
37085,CO-ADD:0295006,4.68,n1(c2ccccc2)nnnc1S\C=C(/c3ccccc3)\[N+](=O)[O-],0.0
37086,CO-ADD:0295783,4.68,c1(SCC(=O)Nc(c(Cl)ccc2C(F)(F)F)c2)nccn1C,0.0
37087,CO-ADD:0277696,4.68,c(c1)(OC(=O)C=C2C)c2cc(CC)c1OC(c3ccccc3)=O,0.0
37088,CO-ADD:0278130,4.68,C(/C#N)(=C/c(cc1)ccc1N(CC)CC)\C(=O)NCc2ccccc2,0.0
37089,CO-ADD:0278050,4.68,C(C1)(C2)(CC(CC2CC13)C3)C#CC(O)=O,0.0
37090,CO-ADD:0277762,4.68,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4cccc(OC)c4OC,0.0
37091,CO-ADD:0277500,4.68,C(C(=O)OC(C)C)(C(c(cc1)cc(c1OC(F)F)OC)N2)=C(C)N(C2=O)C,0.0
37092,CO-ADD:0258318,4.68,o(c(c1ccccc1)nn2)c2c3ccc(cc3)NC(=O)C(F)(F)F,0.0
37093,CO-ADD:0283719,4.68,c1(cccn2)c2c(ccc1Br)N.Cl,0.0
37094,CO-ADD:0278655,4.68,c1(SCC(=O)Nc(ccc(c2Cl)C)c2)sc3c(ccc(c3)NC(=O)c4ccccc4F)n1,0.0
37095,CO-ADD:0278680,4.68,s1c(N)nnc1SCC(=O)N2CCCCC2,0.0
37096,CO-ADD:0278434,4.68,N1(c(cccc2C3=CS\C(=N/c(cc4)ccc4F)\N3CC(C)C)c2)C(=O)c(c5C1=O)cccc5.Br,0.0
37097,CO-ADD:0283438,4.68,c1(c2ccc(cc2)NCc3cccs3)sc(c4n1)cccc4,0.0
37098,CO-ADD:0278764,4.68,N(c1ccc(cc1)OCC)(C2)CN(CN2c3ccc(cc3)OCC)c4ccc(cc4)OCC,0.0
37099,CO-ADD:0259072,4.68,c(c1c2ccccc2)(C3c4ccc(cc4)F)c([nH]n1)OC(N)=C3C#N,0.0
37100,CO-ADD:0258577,4.68,C(=N\c(cc1)ccc1C)(/N(c2ccc(cc2)C)C(=C3Oc(cc4)ccc4[N+](=O)[O-])c5ccccc5)\S3,0.0
37101,CO-ADD:0258593,4.68,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(c(F)c3)OC)\N2CCc(ccc(c4OC)OC)c4.Br,0.0
37102,CO-ADD:0284194,4.68,C1(C)(C(=O)NNC(=O)C2(C)C(C2)Br)C(C1)Br,0.0
37103,CO-ADD:0284466,4.68,N(CCCC12CCCCC1)(C(=O)CS3)C23,0.0
37104,CO-ADD:0283867,4.68,C1(C2c3ccc(cc3)OC)=C(CC(c4ccccc4)CC1=O)NC(C)=C2C#N,0.0
37105,CO-ADD:0277569,4.68,C1(C#N)=C(SCC(OC)=O)NC(=O)CC1c2ccccc2OC,0.0
37106,CO-ADD:0277314,4.68,C(CC)(C(F)(F)F)(C(F)(F)F)C(=O)Nc(ccc(c1Cl)Cl)c1,0.0
37107,CO-ADD:0277618,4.68,C12(c(cccc3)c3C(c4ccc(cc4)C)(c5ccc(cc5)C)S1)SC(=NN2c6ccccc6C)C(C)=O,0.0
37108,CO-ADD:0277330,4.68,n1(\N=C\c(cc2)ccc2N(CC3)CCO3)nnnc1N,0.0
37109,CO-ADD:0277634,4.68,n1(nnc(C(OC)=O)c1CSc2[nH]c(c(c3)n2)ccc3[N+](=O)[O-])c4nonc4N,0.0
37110,CO-ADD:0284588,4.68,C(=N/c(cc1)ccc1Cl)(/SC=C2c3ccc(cc3)Br)\N2CCCO.Br,0.0
37111,CO-ADD:0284628,4.68,N1(c2ccccc2)N=C(NN1c3ccccc3)c4ccccc4.Cl,0.0
37112,CO-ADD:0259158,4.68,S(=O)(=O)(Nc(cc1)ccc1Cl)c(cccc2S(=O)(=O)c3ccc(c(Cl)c3)Cl)c2,0.0
37113,CO-ADD:0284892,4.68,N(C(=O)c(cccc1NC(=O)c2ccc(cc2)OCCC)c1)c3sccn3,0.0
37114,CO-ADD:0299878,4.68,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)nccn1C,0.0
37115,CO-ADD:0289112,4.68,c(C(=O)N1CCC(CC1)C(C)C(O)=O)(cn(n2)c3ccccc3)c2c4ccccc4,0.0
37116,CO-ADD:0288955,4.68,C1(=O)c2c(cccc2)Oc(c3)c(ccc3S(N)(=O)=O)N1C4CC4,0.0
37117,CO-ADD:0288971,4.68,N12C(=NCC1)c3c(Sc(cc(cn4)C(F)(F)F)c24)cccc3,0.0
37118,CO-ADD:0288732,4.68,c(n1Cc2sc(nn2)C(Nc3c(F)cc(F)cc3)=O)nc([N+](=O)[O-])c1,0.0
37119,CO-ADD:0287531,4.68,C(=O)(Nc(c(C)ccc1C(O)=O)c1)C2C3CC(CC3)C2C(O)=O,0.0
37120,CO-ADD:0287467,4.68,C(/SC=C1c2ccccc2)(=N/c3c(Cl)ccc(Cl)c3)\N1c4ccccc4,0.0
37121,CO-ADD:0287491,4.68,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCCCC2)C(=O)Nc(cc4)ccc4C,0.0
37122,CO-ADD:0287532,4.68,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5ccccc5)C6=C2CCCC6=O)C#N,0.0
37123,CO-ADD:0289385,4.68,N(CC1)CCC1OCc2ccccc2,0.0
37124,CO-ADD:0289290,4.68,c1(C(=O)N2CCCCC2)nn(c(CCN3)c1C3)C.Cl,0.0
37125,CO-ADD:0288737,4.67,c1nc([N+](=O)[O-])cn1Cc2nnc(s2)C(Nc3ccccc3)=O,0.0
37126,CO-ADD:0286862,4.67,N1(CN(CC2C)CC(O2)C)c(cccc3)c3\C(=N\c(ccc(c45)cccc4)c5)\C1=O,0.0
37127,CO-ADD:0286486,4.67,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCC3C(OCC)=O)C1=O,0.0
37128,CO-ADD:0286878,4.67,C1(=S)NC(NN1c2ccc(cc2)C)(CC)CC,0.0
37129,CO-ADD:0286087,4.67,c1(c2ccccc2C)oc(c3n1)ccc(Cl)c3,0.0
37130,CO-ADD:0286927,4.67,N(=C(\CC1)/CCC1c2ccccc2)/NC(Cc(cc3)ccc3Cl)=O,0.0
37131,CO-ADD:0287866,4.67,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(cc4C(C)(C)C)cc(c4O)C(C)(C)C)\C1=O,0.0
37132,CO-ADD:0290554,4.67,n1(c2ccccc2F)nnnc1SCc(cc3)ccc3F,0.0
37133,CO-ADD:0285142,4.67,c12c(n(c(Sc3nc(c4[nH]3)cc(cn4)Br)n1)C)C(N(C)C(=O)N2C)=O,0.0
37134,CO-ADD:0287586,4.67,c1(nn(cn1)Cc2cc(ccc2OC)\C=N\OC(=O)c3ccc(cc3)Cl)[N+](=O)[O-],0.0
37135,CO-ADD:0287550,4.67,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c(cccn5)c5)C6=C2CCCC6=O)C#N,0.0
37136,CO-ADD:0287799,4.67,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c(ccc(c2CSc3ccccn3)OC)c2,0.0
37137,CO-ADD:0284998,4.67,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(OC)=O,0.0
37138,CO-ADD:0291652,4.67,[N+](=O)([O-])c(cc1)ccc1C(=O)OCC2=C(C)CCC2C(C)=C,0.0
37139,CO-ADD:0285692,4.67,c1(NC(=O)C(CC)Sc(nnc(c23)c4c(cccc4)[nH]2)n3)sc(c5c1C#N)CCCC5,0.0
37140,CO-ADD:0285293,4.67,C(C(=O)OCC1CCCO1)(C2c3ccccn3)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
37141,CO-ADD:0285645,4.67,c1(nnc(ccc(cccc2)c23)n13)c4c5c([nH]c4)cccc5,0.0
37142,CO-ADD:0288085,4.67,S(Cc1c(CS2)cc(C)c(C)c1)C2c3ccc(c(OC)c3)OC,0.0
37143,CO-ADD:0285521,4.67,N1(c2cccc(c2)C(=O)NC(C)(C)C)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
37144,CO-ADD:0299787,4.67,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c(ccc(c3OC)OC)c3)\C1=O)=O,0.0
37145,CO-ADD:0293796,4.67,n(Cc1ccccc1)(c2c(n3)cccc2)c3CCl.Cl,0.0
37146,CO-ADD:0294550,4.67,n1(C(C)=O)nc(c2c1nc(ccc(c3)Br)c3c2c4ccccc4)C,0.0
37147,CO-ADD:0295105,4.67,c1(ccccc1NCNc2ccccc2C(OC)=O)C(OC)=O,0.0
37148,CO-ADD:0295398,4.67,c1(OC(N)=C(C2c3ccccc3F)C#N)c2c(n[nH]1)CC,0.0
37149,CO-ADD:0292402,4.67,N1(c2c(OC)cc(c(OC)c2)Cl)C(=O)C(C3C1=O)C4CC3C=C4,0.0
37150,CO-ADD:0295119,4.67,c1(C(N)=O)c(Cl)ncc(Cl)c1OC,0.0
37151,CO-ADD:0294458,4.67,N1(c2ccc(cc2)I)C(=O)CC(N(CC3)CCC3(C(N)=O)N4CCCCC4)C1=O,0.0
37152,CO-ADD:0292640,4.67,[N+](=O)([O-])\C(\C)=C\c(c1c([nH]2)cccc1)c2,0.0
37153,CO-ADD:0293027,4.67,C(=O)(Oc1ccc(cc1OC)C=O)N(CC2)CCO2,0.0
37154,CO-ADD:0292876,4.67,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc(cc(Oc(cccc4C(F)(F)F)c4)cc5[N+](=O)[O-])c5)n2,0.0
37155,CO-ADD:0293146,4.67,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(cc4OC)cc(c4OCc5cccc(cccc6)c56)Br)\C1=O)=NC(C)=C2C(OC)=O,0.0
37156,CO-ADD:0278089,4.67,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)Cc4cccc(cccc5)c45)n1,0.0
37157,CO-ADD:0278010,4.67,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)\N=C\c(cc(I)cc4I)c4O)n1,0.0
37158,CO-ADD:0278122,4.67,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c(cc3)ccc3c4ccccc4)\N2CCc(cc5)ccc5OC.Br,0.0
37159,CO-ADD:0277962,4.67,n1(nnc(C(OCC)=O)c1CSc(c2SCc3c(C(OCC)=O)nnn3c4nonc4N)nc(c5n2)cccc5)c6nonc6N,0.0
37160,CO-ADD:0258870,4.67,s1c(c(cc2)ccc2C(C)(C)C)nnc1NC(CCCCCC)=O,0.0
37161,CO-ADD:0258734,4.67,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCOc3ccc(cc3C)C)c1C,0.0
37162,CO-ADD:0278812,4.66,N1(c(cccc2c3oc(c4n3)cccc4)c2)C(=O)c5c(cccn5)C1=O,0.0
37163,CO-ADD:0278572,4.66,C(/C#N)(\C(=O)Nc1cc(C)ccc1C)=C/c2c(cccc2Cl)Cl,0.0
37164,CO-ADD:0278333,4.66,C(=N\c1ccc(cc1C)C)(/S\C(\C2=O)=C\c(ccc3c4ccc(cc4[N+](=O)[O-])OC)o3)\N2,0.0
37165,CO-ADD:0278757,4.66,S1(=O)(=O)c(cccc2)c2C(Nc(ccc(c3CN4CCCCC4)OC(=O)c5ccc(cc5)C)c3)=N1.Cl,0.0
37166,CO-ADD:0278774,4.66,n1(c2c(n3)cccc2)c3S\C(=C\c(c(cccc4)c4n5Cc(ccc(c6Cl)Cl)c6)c5)\C1=O,0.0
37167,CO-ADD:0278207,4.66,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccccc4F)n1,0.0
37168,CO-ADD:0284533,4.66,c1(C#N)c(c2ccccc2)[nH]c(c3ccccc3)c1C#N,0.0
37169,CO-ADD:0283598,4.66,N(c1c(C)ccc(Cl)c1)(C(=O)C(C2C34Br)C(Br)(c5c3cccc5)c6c4cccc6)C2=O,0.0
37170,CO-ADD:0284199,4.66,S(c1ccccc1)(=O)(=O)N2CCC(CC2)C(=O)N\N=C\c(cc3)ccc3Br,0.0
37171,CO-ADD:0284257,4.66,c1(nc(c2ccc(cc2)Br)cc3C(F)(F)F)n3nc(C(=O)Nc(ccc(c4C)C)c4)c1Cl,0.0
37172,CO-ADD:0279057,4.66,C(=N)(N1CCCCCC1)\C(\C#N)=N\Nc(cc2)ccc2F,0.0
37173,CO-ADD:0279105,4.66,[n+]1(N)c2c(n(C)c1C)cccc2,0.0
37174,CO-ADD:0277642,4.66,N1(n(c2)cnn2)C(C)(O)C(OC1=O)(C)CC\C=C(\C)/C,0.0
37175,CO-ADD:0278003,4.66,S1(=O)(=O)c(cccc2)c2C(N(CC3)CCN3CC(COC)OC(=O)c4ccc(cc4)OC)=N1,0.0
37176,CO-ADD:0259792,4.66,c12c(n(c(SCc3ccccc3F)n1)C)C(N(C)C(=O)N2C)=O,0.0
37177,CO-ADD:0259378,4.66,c(c1c2ccccc2)(C3c4ccccc4I)c([nH]n1)OC(N)=C3C#N,0.0
37178,CO-ADD:0259524,4.66,N1=C(NC(C)=O)S\C(=C\c(cc2)ccc2Cl)\C1=O,0.0
37179,CO-ADD:0260172,4.66,N1(c2ccc(cc2)F)C(c3ccc(cc3)OCC(C)C)Nc(c4C1=O)cccc4,0.0
37180,CO-ADD:0284101,4.66,c1(C(OCC)=O)c(cc(OC)cc2)c2n(c3ccccc3)c1C,0.0
37181,CO-ADD:0257793,4.66,N1(N(C)C)\C(=N\c2ccccc2)\S\C(=C\c(cc3)ccc3OCc4cccc(cccc5)c45)\C1=O,0.0
37182,CO-ADD:0258574,4.66,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3,0.0
37183,CO-ADD:0257531,4.66,N1(c2ccccc2C)C(=O)\C(=C\c(cc3I)cc(c3O)I)\C(NC1=S)=O,0.0
37184,CO-ADD:0284085,4.66,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCC2(c3ccccc3)C#N,0.0
37185,CO-ADD:0288580,4.66,C(OC(C)(C)C)(N(CC1c(n2C3CC3)ncc2C)C1)=O,0.0
37186,CO-ADD:0285369,4.66,n1(c2c(nn1)cccc2)C(=O)c3c(Cl)c(Cl)c(c(Cl)c3C(OCC#C)=O)Cl,0.0
37187,CO-ADD:0285385,4.66,c1(N(CC2)CCN2C(=O)c3ccccc3Br)sc(c4n1)cccc4,0.0
37188,CO-ADD:0285714,4.66,c1(NC(CSCC(=O)Nc2nonc2N)=O)nonc1N,0.0
37189,CO-ADD:0291959,4.66,C(C(c1ccccc1)=O)(C2c3ccc(cc3)F)=C(O)C(N2c4ccc(cc4)F)=O,0.0
37190,CO-ADD:0291744,4.66,N1(Cc2ccccc2)C(=O)CSC1c(cc3)ccc3C(=O)NCc4ccccc4,0.0
37191,CO-ADD:0290561,4.66,n1(c2c(n3)cccc2)c3S\C(=C/c4cc(Cl)ccc4OCc5ccccc5Cl)\C1=O,0.0
37192,CO-ADD:0290562,4.66,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc4c5ccccc5F)o4,0.0
37193,CO-ADD:0288639,4.66,C(OC(C)(C)C)(N(C1)CC1n2c(C3CC3)ncc2C)=O,0.0
37194,CO-ADD:0300098,4.66,c1(C2(CCCCC2)Nc(cc3)ccc3I)nnnn1c4ccc(cc4)OC,0.0
37195,CO-ADD:0291672,4.66,c1(NC(CC)=O)sc(c2c1C(OCC)=O)\C(\CCC2)=N\O,0.0
37196,CO-ADD:0291690,4.66,c1(c(C)c(sc1NC(c2ccccc2)=O)C)C(=O)NC(C)CCCN(CC)CC,0.0
37197,CO-ADD:0285713,4.66,S(=O)(=O)(c1ccc(c2c1)cccc2)NC(C(O)c3ccccc3)C(OC)=O,0.0
37198,CO-ADD:0286097,4.66,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)S\C(\NCc(ccc(c34)OCO3)c4)=N/c(cc5)ccc5OCC,0.0
37199,CO-ADD:0286497,4.66,c1(Cl)c(C(=O)NCC(O)=O)c(nn1c2ccccc2)C,0.0
37200,CO-ADD:0291327,4.66,c1(SCC(=O)NC2CC2)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
37201,CO-ADD:0286931,4.66,c1([N+](=O)[O-])cc(n(C\C(\C)=N\NC(=O)c2cccc(C)c2)n1)C,0.0
37202,CO-ADD:0285123,4.66,C1(SCC(=O)Nc2cccc(Cl)c2)=NC(c3ccccc3)CC(=O)N1,0.0
37203,CO-ADD:0287567,4.66,c1(SCc(c(C)c2)cc(c2CSc3[nH]c(c4n3)cccc4)C)[nH]c(c5n1)cccc5,0.0
37204,CO-ADD:0290990,4.66,n1(c2ccccc2)nnnc1SCCOc3ccccc3C,0.0
37205,CO-ADD:0299243,4.66,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCC3(O)c4ccc(cc4)Br)C1=O,0.0
37206,CO-ADD:0299315,4.66,N1(C(c2ccccc2)CC(c3ccccc3)=N1)C(=O)Cc4ccccc4,0.0
37207,CO-ADD:0290992,4.66,C(c1c2cccc1)(=CC3=O)c(c4N3C)c(C2=O)c(cc4)NCCCC,0.0
37208,CO-ADD:0299485,4.66,N1(c2ccc(cc2)F)C(c3ccc(cc3)Cl)CC(c4ccc(cc4)Cl)=N1,0.0
37209,CO-ADD:0286115,4.66,c1(C(=O)N2CCCC2)c3c(sc1NC(=O)c4cccc(C)c4)CC(C)CC3,0.0
37210,CO-ADD:0286467,4.65,c1(cc(I)ccc1NC(CC(C)C)=O)C(O)=O,0.0
37211,CO-ADD:0291949,4.65,n1c(c(cc2)ccc2c3ccccc3)[nH]c(c4ccccc4)c1c5ccc(c(C)c5)C,0.0
37212,CO-ADD:0291430,4.65,N(C)(C1C(N2C)NC(SC)=N1)C2=O.I,0.0
37213,CO-ADD:0291120,4.65,C1(C2=O)C(C(N2c3ccc(c(C)c3)C)=O)N(N=C1C(OCC)=O)C(C)=O,0.0
37214,CO-ADD:0290346,4.65,S(=O)(=O)(N(C)C)Nc(cc1)ccc1C(O)=O,0.0
37215,CO-ADD:0299571,4.65,C1(=NC2(Cc(cc(OC)c(OC)c3)c13)CCCC2)\C(=N/O)\C(OCC)=O,0.0
37216,CO-ADD:0285525,4.65,N1(N(CC2)CCO2)C(=O)c3c(cc(cc3)F)C1=O,0.0
37217,CO-ADD:0291191,4.65,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)Nc4cccc(Cl)c4,0.0
37218,CO-ADD:0285323,4.65,c12c(ncnc1SCc(ccc(c34)OCO3)c4)[nH]cn2,0.0
37219,CO-ADD:0285387,4.65,c1(N(CC2)CCN2C(CC)=O)sc(c3n1)cccc3,0.0
37220,CO-ADD:0290774,4.65,C(=O)(Nc(cc1)cc[n+]1C)C(O)(c2ccccc2)c3ccccc3.[I-],0.0
37221,CO-ADD:0293466,4.65,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(OCCOc5ccccc5)=O,0.0
37222,CO-ADD:0292638,4.65,c12c(ccc(c1)NC(C)=O)c3c(cccc3)o2,0.0
37223,CO-ADD:0295720,4.65,c1(NC(=S)NC(=O)c2ccc(cc2Cl)Cl)sc(c3c1C(OC)=O)CCCC3,0.0
37224,CO-ADD:0293778,4.65,C(N)(=O)N\N=C\c1cccc(OCCOc(cc2)ccc2C)c1,0.0
37225,CO-ADD:0292884,4.65,c(C(F)(F)F)(c(Br)c(n1CC(N)=O)C)n1,0.0
37226,CO-ADD:0293344,4.65,c12c(n(cn1)CC(=O)Nc(sc(c3C(OCC)=O)C)n3)C(N(C)C(=O)N2C)=O,0.0
37227,CO-ADD:0295852,4.65,c1(sc(cc1C(OCC)=O)CC)NC(=O)c(ccc(c2[N+](=O)[O-])N(CC3)CCN3CC)c2,0.0
37228,CO-ADD:0295556,4.65,[n+]1([O-])onc(c(nnc2N)N)c12,0.0
37229,CO-ADD:0292275,4.65,c1(\C(\C)=N\O)oc(c2c1CC)ccc3c2OC(=O)C=C3C,0.0
37230,CO-ADD:0294497,4.65,C(C(c1ccccc1)=O)(C2c3ccc(cc3)O)=C(O)C(N2CCN(C)C)=O,0.0
37231,CO-ADD:0295235,4.65,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)OC)=C(O)C(N2Cc(cccn4)c4)=O,0.0
37232,CO-ADD:0295461,4.65,C(F)(F)(F)c1ccccc1NC(=O)CCN(CC2)CCN2c3ccc(cc3)Cl,0.0
37233,CO-ADD:0258782,4.65,C1(c2ccccc2Cl)=NNC(=S)N1CC=C,0.0
37234,CO-ADD:0259190,4.65,N1(Cc2ccccc2)C(=S)SC(C)(C)C1\[N+](\[O-])=C\c(cccn3)c3,0.0
37235,CO-ADD:0259231,4.65,c1(OC(N)=C(C2c3ccccc3[N+](=O)[O-])C#N)c2c(n[nH]1)C,0.0
37236,CO-ADD:0259289,4.65,c(C(=O)c(cc1)ccc1[N+](=O)[O-])(sc(c23)nc(c(C)c2C)C)c3N,0.0
37237,CO-ADD:0259529,4.65,S(c1ccccc1)(=O)(=O)NC(C(Cl)(Cl)Cl)c2ccc(Cl)s2,0.0
37238,CO-ADD:0259577,4.65,N12C(S\C(=C\c(cc3)ccc3O)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
37239,CO-ADD:0284562,4.65,S(=O)(=O)(c(cccc1C(=O)N2CCCc(cccc3)c23)c1)NC4CCCC4,0.0
37240,CO-ADD:0283024,4.65,n1(cc(nn1)C(OCC)=O)c2nonc2N,0.0
37241,CO-ADD:0283049,4.65,C(C(OCC)=O)(NC(CC)=O)(Nc1ccccc1F)C(F)(F)F,0.0
37242,CO-ADD:0278264,4.65,c1(cc(Br)ccc1OC(=O)\C=C\c(ccc(c2OC)OC)c2)C(=S)N3CCCCC3,0.0
37243,CO-ADD:0278288,4.65,N12C(S\C(=C\c(ccc(c3OC)O)c3)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
37244,CO-ADD:0283339,4.65,N1(CSc(nnc(c23)c4c(cccc4)n2CC=C)n3)C(=O)c(c5C1=O)cccc5,0.0
37245,CO-ADD:0283117,4.65,C(C(=O)OCC1CCCO1)(C2c3ccc(cc3)SC)=C(C)NC(CCCC4=O)=C24,0.0
37246,CO-ADD:0278484,4.65,c1(C2c3ccco3)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
37247,CO-ADD:0284013,4.65,N1(c2ccc(c(C)c2)C)C(=O)\C(\SC1=N)=C\c(cc3)ccc3SC,0.0
37248,CO-ADD:0283101,4.65,C1(C(=O)c2ccc(cc2)C)=C(O)C(NC1c3ccc(cc3)F)=O.[Na+],0.0
37249,CO-ADD:0283991,4.65,C(C(OCCCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4cc5c(cc4Cl)OCO5,0.0
37250,CO-ADD:0284007,4.65,C(C(OCCOC)=O)(C1c2ccc(cc2)F)=C(C)NC(CC(c3ccccc3)CC4=O)=C14,0.0
37251,CO-ADD:0259261,4.65,C(C(OCC)=O)(=C1C)\C(=C\c(ccc(c2OC)O)c2)\C(N1c3ccc(cc3)C)=O,0.0
37252,CO-ADD:0259766,4.65,C(/SC(N1C)=S)(\C1=O)=C(/Sc(c23)ccc(OC)c2)\N3C4CCCCC4,0.0
37253,CO-ADD:0259790,4.65,C(/C#N)(\C(=O)Nc1ccccc1Cl)=C/c2c(O)ccc(cccc3)c23,0.0
37254,CO-ADD:0259814,4.65,C1(C(=O)OCc(cc2)ccc2C)=C(C)NC(NC1c3ccccc3OC(C)C)=O,0.0
37255,CO-ADD:0260062,4.65,c1(nnc(N)s1)SC(C(c2ccccc2)=O)Sc3nnc(N)s3,0.0
37256,CO-ADD:0259823,4.65,C1(C(=O)OC(C)CC)=C(C)NC(NC1c2ccccc2OC(C)C)=O,0.0
37257,CO-ADD:0257485,4.65,C1(C(OCC=C)=O)=C(C)NC(NC1c2cccc(OC)c2OC)=O,0.0
37258,CO-ADD:0278381,4.64,n1c(C)n[nH]c1SCC(=O)Nc2nncs2,0.0
37259,CO-ADD:0258547,4.64,C(=C\c(ccc1c(ccc(c2C(O)=O)O)c2)o1)(/C3=O)\C(=O)NC(=S)N3,0.0
37260,CO-ADD:0258947,4.64,c1(ccn(C)n1)C(=O)N\N=C(/C)\c2ccco2,0.0
37261,CO-ADD:0285099,4.64,C1(C(=O)Nc2ccc(cc2Cl)Cl)C3C1C4CC3CC4,0.0
37262,CO-ADD:0285604,4.64,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc(c2OCC)OCc(cc3)ccc3F)c2,0.0
37263,CO-ADD:0285076,4.64,C(C(C)=O)(C1c2ccccc2F)=C(O)C(N1c(cccn3)c3)=O,0.0
37264,CO-ADD:0291329,4.64,N(CC1)(CCN1C(=O)CSc2ncccn2)C(=O)CSc3ncccn3,0.0
37265,CO-ADD:0299350,4.64,c1(c2c([nH]c1)cccc2)c(c3)nc(c4c3C(O)=O)ccc(cccc5)c45,0.0
37266,CO-ADD:0289069,4.64,c1(C(OCC)=O)c(C)c(c(C)[nH]1)CCC(=O)N(CC2)CCC2C(O)=O,0.0
37267,CO-ADD:0288851,4.64,C(c(c1)[nH]c(cccc2)c12)(NCC#C)=O,0.0
37268,CO-ADD:0288877,4.64,c1(ncc(n1Cc(c2)ccc(Cl)c2)C)c3oc([N+](=O)[O-])cc3,0.0
37269,CO-ADD:0299470,4.64,N1(c2ccc(cc2Cl)[N+](=O)[O-])NC(=O)c(c3C1=O)cccc3,0.0
37270,CO-ADD:0299486,4.64,N1(C(c2ccc(cc2)Cl)CC(c3ccc(cc3)Cl)=N1)c4ccc(cc4Br)F,0.0
37271,CO-ADD:0299302,4.64,C(NCC1CCCO1)(=S)Nc(cc2)ccc2Br,0.0
37272,CO-ADD:0299510,4.64,c1(cc(ccc1Oc(cc2)c(OC)cc2C(=O)Nc(cc3)ccc3OC)C(F)(F)F)[N+](=O)[O-],0.0
37273,CO-ADD:0299264,4.64,C1(C(F)(F)F)(C(F)(F)F)C=C(C)N(C(N)=C1C#N)c2sc(c3c2C#N)CCCCC3,0.0
37274,CO-ADD:0291053,4.64,n1(c2c(nn1)cccc2)S(=O)(=O)c3ccc(cc3C)Cl,0.0
37275,CO-ADD:0291134,4.64,C(C(=O)OCC1CCCO1)(C2c(cc3)ccc3c4ccccc4)=C(C)NC(CCCC5=O)=C25,0.0
37276,CO-ADD:0289216,4.64,N1CCC(CCOc2ccccc2F)C1.Cl,0.0
37277,CO-ADD:0300056,4.64,c1(N(CC2)CCN2C(c3ccccc3)=O)sc(c(c4ccccc4)n1)CCC,0.0
37278,CO-ADD:0287627,4.64,C(=C/N\N=C(/C)\C(\C)=N\O)(/C#N)\C(OCC)=O,0.0
37279,CO-ADD:0290966,4.64,n1(c(C)ncc1[N+](=O)[O-])S(=O)(=O)c2ccc(cc2)Cl,0.0
37280,CO-ADD:0286812,4.64,C(=N/c(ccc(c1C)C)c1)(/SC=C2c3ccccc3)\N2CC.Br,0.0
37281,CO-ADD:0286669,4.64,C(=O)(c1cccc(c1)NC(CC(C)C)=O)NCC(C)C,0.0
37282,CO-ADD:0286767,4.64,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(ccc3c(ccc(c4C(O)=O)Cl)c4)o3)\N2,0.0
37283,CO-ADD:0287025,4.64,c1(OC)nc(Cl)cc(C)c1C(N)=O,0.0
37284,CO-ADD:0286794,4.64,c1(NC(=O)CC2c3cc(Br)ccc3OC)c2ccc(cccc4)c14,0.0
37285,CO-ADD:0292387,4.64,c(c1c(s2)CCCC1)(C(=O)N(C)C(=N3)SCC(=O)N(CC4)CCN4c5sc(c6n5)cccc6)c23,0.0
37286,CO-ADD:0294877,4.64,N(Cc1ccccc1)(C(=O)C(C23)C(c4ccccc4O)NC2(C)C(O)=O)C3=O,0.0
37287,CO-ADD:0295373,4.64,n1(c(cc2C)cc(c2Br)C)c(C)c(cc1C)C=O,0.0
37288,CO-ADD:0295322,4.64,N1(C(C)(C)C)C(=O)NC(\C(=C/c(ccc2[N+](=O)[O-])s2)\C1=O)=O,0.0
37289,CO-ADD:0294340,4.64,n1(c(C(C)(C)C)c(nn1)C(OC)=O)c2nonc2N,0.0
37290,CO-ADD:0293692,4.64,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(=O)Nc2ccc(cc2C)C)C1c3ccc(cc3)Cl.CC(=O)O,0.0
37291,CO-ADD:0283379,4.64,c12c(nnc(SCC(=O)N3CCCc(cccc4)c34)n1)c5c(cccc5)n2CC,0.0
37292,CO-ADD:0283309,4.64,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccccc4C(F)(F)F)cccc3,0.0
37293,CO-ADD:0283712,4.64,C(CCC)(=O)c1ccc(cc1)O,0.0
37294,CO-ADD:0284094,4.64,C(N)(=O)c1cccc(c1)NC(CC)=O,0.0
37295,CO-ADD:0283352,4.64,S(=O)(=O)(c1ccc(cc1)C)CCN(CC2)CCN2c3ccccc3,0.0
37296,CO-ADD:0277909,4.64,C(#CC(O)=O)C(O)(c1ccccc1)c2ccccc2,0.0
37297,CO-ADD:0277998,4.64,n1(nnc(C(OCC)=O)c1CSc(nnc(c23)c4c(cccc4)n2C)n3)c5nonc5N,0.0
37298,CO-ADD:0277607,4.64,N1(c2ccc(cc2)OCCCC)C(=O)CC(N(CC3)CCN3c4ncccn4)C1=O,0.0
37299,CO-ADD:0259565,4.64,c1(nnc(c2ccccc2)o1)NC(=O)c(ccc(c3Cl)Cl)c3,0.0
37300,CO-ADD:0260197,4.64,C12c3c(cccc3)C(C(CCC)C1C(=O)Nc4cccc(C)c4)c(cccc5)c25,0.0
37301,CO-ADD:0259109,4.64,c1(c2ccc(cc2Cl)Cl)nnc(NC(CC(C)C)=O)s1,0.0
37302,CO-ADD:0260095,4.64,C1(C(OCCOC(C)C)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCc3ccccc3)=O,0.0
37303,CO-ADD:0260111,4.64,C(=N/c1ccccc1)(/SC=C2c3ccc(c(C)c3)C)\N2CCc(cc4)ccc4OC.Br,0.0
37304,CO-ADD:0258311,4.64,C(F)(F)(F)C(=O)Nc(cc1)ccc1C(=O)Nc2ccccc2C(O)=O,0.0
37305,CO-ADD:0257493,4.63,C1(C(OCCC)=O)=C(C)NC(NC1c2cccc(OCC)c2)=O,0.0
37306,CO-ADD:0257813,4.63,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(cc(OCO4)c4c5)c5Br)\C1=O,0.0
37307,CO-ADD:0259944,4.63,[C@@H]1([C@@H](CCCCC(OCCC)=O)SC[C@H]1NC(OC)=O)NC(OC)=O,0.0
37308,CO-ADD:0259393,4.63,c1(NC(=O)C(F)(F)F)sc(c(C)c1C(OCC)=O)C(=O)Nc2ccccc2,0.0
37309,CO-ADD:0259283,4.63,c1(Sc2nnc(c3cccc(Br)c3)o2)c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0.0
37310,CO-ADD:0259323,4.63,c1(C(N)=O)oc(c2c1NC(=O)c3ccc(cc3)Cl)cccc2,0.0
37311,CO-ADD:0259082,4.63,C(/SC=C1c(cc2)ccc2c3ccccc3)(=N/c4ccccn4)\N1c5ccccc5,0.0
37312,CO-ADD:0258308,4.63,n1(c2c(nc1SC)cccc2)CC(=O)N3CCCCC3,0.0
37313,CO-ADD:0284254,4.63,c1(cc(C#N)c(cc1Nc2ccccc2N)C#N)[N+](=O)[O-],0.0
37314,CO-ADD:0283191,4.63,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3Br)cc(c3O)Br)\N2CC=C,0.0
37315,CO-ADD:0259164,4.63,C(=N/c1ccccc1)(/SC=C2c3ccc(cc3)C)\N2CCO.Br,0.0
37316,CO-ADD:0278226,4.63,N1(c(ccc(c2s3)nc3SCc4ccc(c5c4cccc5)F)c2)C(=O)c6c(cccc6)C1=O,0.0
37317,CO-ADD:0278824,4.63,C1(C(=O)OCC2CCCO2)=C(C)NC(=C3C1c4ccc(c(OCC)c4)OC(C)=O)CCCC3=O,0.0
37318,CO-ADD:0289257,4.63,n1c(COC(CCCN2)C2)onc1C3CC3.Cl,0.0
37319,CO-ADD:0289361,4.63,n1c(CCN)n[nH]c1C2CCCCC2.Cl.Cl,0.0
37320,CO-ADD:0288452,4.63,n1(Cc2ccco2)c(C)cnc1C(CCCN3)C3.Cl.Cl,0.0
37321,CO-ADD:0289259,4.63,c1(C2CCCCN2)nncn1C.Cl.Cl,0.0
37322,CO-ADD:0285972,4.63,O=C(O[C@@H]1C[C@@H]([C@@H]([C@H]1/C=N/NC(C2=CC=NC=C2)=O)CCCCCCC(OC)=O)O)C3=CC=CC=C3,0.0
37323,CO-ADD:0288588,4.63,C(=O)(OC(C)(C)C)N(CCC(C1)Cc2ncc(C)n2CCC)C1,0.0
37324,CO-ADD:0299856,4.63,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C/c3cccc(cccc4)c34)\C1=O)=O,0.0
37325,CO-ADD:0289390,4.63,c(C1)(c(CCN1)n(n2)C)c2COc(ccc3F)cc3.Cl,0.0
37326,CO-ADD:0300051,4.63,S(NCCCCc1ccccc1)(=O)(=O)c(ccc2c3c4c(o2)cccc4)c3,0.0
37327,CO-ADD:0299876,4.63,C(NC)(=S)NNC(C)=O,0.0
37328,CO-ADD:0299288,4.63,C12=C(C(Nc(ccc(OCC)c3)c13)(C)C)SN(c4ccc(cc4)OC)C2=S,0.0
37329,CO-ADD:0299489,4.63,N1(c2ccc(c(Cl)c2)Cl)C(=O)c3c(C(C)=N1)cccc3,0.0
37330,CO-ADD:0287433,4.63,C12=C(C(N(c3ccccc3)C1=O)c4ccc(cc4)Br)\C(\C(=O)N2c5ccccc5)=C\c(ccc(c67)OCO6)c7,0.0
37331,CO-ADD:0290418,4.63,c1(cc(I)ccc1NC(=O)c2ccc(cc2)Oc(cc3)ccc3[N+](=O)[O-])C(O)=O,0.0
37332,CO-ADD:0287140,4.63,c(C(=O)N(CC)CC)(c1C)c(Cl)nc(Cl)c1[N+](=O)[O-],0.0
37333,CO-ADD:0299186,4.63,C1(=O)N(C)c2c(c(ccc3\C=C(/C#N)\C#N)N1C)c3ccc2,0.0
37334,CO-ADD:0290640,4.63,C1(C#N)=C(SCC(=O)c2ccc(cc2)Cl)NC(=C(C(C)=O)C1c3c4c([nH]c3)cccc4)C,0.0
37335,CO-ADD:0299217,4.63,C(C(OC)=O)(C(F)(F)F)(NC(OC)=O)Nc1sc(c2c1C(N)=O)CCCC2,0.0
37336,CO-ADD:0299634,4.63,C(=S)(NC(c1ccccc1)C=C2c3ccc(cc3)Br)N2,0.0
37337,CO-ADD:0290568,4.63,c1(C(OCC)=O)c(c2ccc(cc2)C)csc1NC(CSc3ccccc3)=O,0.0
37338,CO-ADD:0285438,4.63,N(c(cccc1C(=O)N\N=C\c(cc2)ccc2Cl)c1)(C3)Cc4c3cc(c(C)c4)C,0.0
37339,CO-ADD:0299734,4.63,C(F)(F)(F)c1ccccc1NC(=O)c(cc2)ccc2C(c3ccccc3)=O,0.0
37340,CO-ADD:0291184,4.63,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc4ccc(c(OC)c4)OC)c1Cl,0.0
37341,CO-ADD:0291032,4.63,S(=O)(=O)(c1ccc(cc1)Cl)Oc2c(Cl)cc(c(cccn3)c23)Cl,0.0
37342,CO-ADD:0291918,4.63,n1(CC=C)c(S)nnc1c2ccccc2,0.0
37343,CO-ADD:0286774,4.63,c1(c2cc(OC)ccc2O)cc([nH]n1)c(cc3)ccc3C(F)(F)F,0.0
37344,CO-ADD:0299991,4.63,C1(=Cc2c(OC1=N)cccc2)C(=O)Nc(cc3)ccc3OC,0.0
37345,CO-ADD:0296100,4.63,c1(Oc2ccccc2)nc(N)nc(N)n1,0.0
37346,CO-ADD:0292510,4.63,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(cc4)SC)cc(c(C)c3)C,0.0
37347,CO-ADD:0292927,4.63,c1(C(N)=O)c(CC2)c(sc1N)CN2C,0.0
37348,CO-ADD:0293388,4.63,n(n(Cc(cccc1c(n[nH]n2)n2)c1)nn3)c3c4ccccc4,0.0
37349,CO-ADD:0295104,4.63,n(c(N)cc(n1)O)c1SCC(=O)c2ccc(cc2Cl)Cl,0.0
37350,CO-ADD:0293671,4.63,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c(cc5OCC)cc(c5O)Br)cccc4,0.0
37351,CO-ADD:0283426,4.63,N1C(=O)\C(\NC1=S)=C/c2ccccc2OCc3ccccc3F,0.0
37352,CO-ADD:0278992,4.62,n1(c2ccc(cc2)OC)c(c3ccccc3)nnc1c4ccc(cc4)Cl,0.0
37353,CO-ADD:0283314,4.62,c1(c(C)nn(c2ccccc2)c1O)C(c3ccco3)c4c(C)nn(c5ccccc5)c4O,0.0
37354,CO-ADD:0283330,4.62,c1(ccc(c(F)c1)F)C(=O)c2ccc(cc2)C,0.0
37355,CO-ADD:0283756,4.62,c12c(nc3c(cccc3)n1)c(nn2c4ccc(cc4)C)c5ccccc5,0.0
37356,CO-ADD:0279009,4.62,N1(c(cccc2C3=Nc(c4C(=O)O3)cccc4)c2)C(=O)C(C5C1=O)C6CC5C=C6,0.0
37357,CO-ADD:0259534,4.62,N1(c2ccc(cc2)C)C(c3ccccc3)=C(C(=O)C1=O)c4ccccc4,0.0
37358,CO-ADD:0260198,4.62,c(CC(NC(OCC(C)C)=O)C(=O)Nc(cc1)ccc1C)(c2c([nH]3)cccc2)c3,0.0
37359,CO-ADD:0260206,4.62,N1(c2ccc(c3c2)OCO3)C(=O)C(C4C1=O)C(CC5)C=CC45,0.0
37360,CO-ADD:0259264,4.62,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)C)CC(=O)N(CC3)CCN3c4ccccc4OC,0.0
37361,CO-ADD:0259560,4.62,n1(c2c(nc1SCC(OCC)=O)cccc2)C(OCCCl)=O,0.0
37362,CO-ADD:0259282,4.62,C(/c1c(N2)cccc1)(=N\NC(=O)c(cc3Br)cc(c3O)Br)\C2=O,0.0
37363,CO-ADD:0258037,4.62,C(=C/c(cc1)ccc1Oc(cc2)ncc2[N+](=O)[O-])(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
37364,CO-ADD:0257473,4.62,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c4cc(Br)cc(OC)c4O)\C1=O,0.0
37365,CO-ADD:0257441,4.62,N1(c2ccccc2)CC(CC1=O)C(=O)Nc(cc(C)cc3C)c3,0.0
37366,CO-ADD:0258033,4.62,C(=C\c(cc(n1c2ccc(cc2)Cl)C)c1C)(/C(=O)NC(N3)=S)\C3=O,0.0
37367,CO-ADD:0257386,4.62,c1(cc(n2c3ccc(cc3)F)c4ccc(cc4)Br)c2CC(C)(C)CC1=O,0.0
37368,CO-ADD:0257498,4.62,N1(C(c(cc2)ccn2)=O)N=C(CC1(O)C(F)(F)F)C(F)(F)F,0.0
37369,CO-ADD:0259817,4.62,C1(=C(C)NC(NC1c2ccc(c(OC)c2)OCCC)=O)C(=O)OC(C)C(C)(C)C,0.0
37370,CO-ADD:0257602,4.62,N1(C(c(cc2)ccn2)=O)N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
37371,CO-ADD:0259979,4.62,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c3ccccc3C(F)(F)F)\N2c4ccccc4,0.0
37372,CO-ADD:0258510,4.62,c1(N(CC2)CCO2)nc(Nc(cc3)ccc3F)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
37373,CO-ADD:0284561,4.62,S(=O)(=O)(Nc(cc1)ccc1Cl)c(ccc(c2C(O)=O)C)c2,0.0
37374,CO-ADD:0289125,4.62,c(CCC(O)=O)(cn(n1)C)c1c2ccc(F)cc2,0.0
37375,CO-ADD:0289133,4.62,C(=O)(OC(C)(C)C)N(CCOc(ccc(CCC(O)=O)c1)c12)C2,0.0
37376,CO-ADD:0289149,4.62,N1(C(COCC1C(O)=O)=O)Cc2ccc(OC)cc2OC,0.0
37377,CO-ADD:0291786,4.62,N1(c2ccc(c3c2)cccc3)C(=O)\C(=C\c(ccc4c(cccc5C(O)=O)c5)o4)\C(NC1=S)=O,0.0
37378,CO-ADD:0292034,4.62,c1(NC(=O)Nc2ccccc2)nnc(CSCc3ccccc3)s1,0.0
37379,CO-ADD:0291723,4.62,C1(=NCCN1C(C)=O)Nc2c(cccc2Cl)Cl,0.0
37380,CO-ADD:0292195,4.62,n(Cc(cc1)ccc1Cl)(c2c(n3)cccc2)c3C,0.0
37381,CO-ADD:0286263,4.62,C(=N/c(cc1)ccc1Cl)(/SC(C(O)=O)CC2=O)\N2C,0.0
37382,CO-ADD:0290374,4.62,C1(C(=O)c2ccc(cc2)OC)=C(O)C(NC1c(cccc3[N+](=O)[O-])c3)=O,0.0
37383,CO-ADD:0288715,4.62,C(n(c(c1)C)c(COC2CNCCC2)n1)COC.Cl.Cl,0.0
37384,CO-ADD:0289004,4.62,N12C(c3c(Oc(c4)c1ncc4[N+](=O)[O-])cccc3)=[N+](CC2)C.S(OC)(=O)(=O)[O-],0.0
37385,CO-ADD:0286789,4.62,c1(SCC(=O)c2ccc(cc2)F)sc3c(ccc(N)c3)n1,0.0
37386,CO-ADD:0286797,4.62,n1c(c(cc2)ccc2C#Cc3ccccc3)[nH]c(c4ccccc4)c1c5ccc(cc5)Oc6ccccc6,0.0
37387,CO-ADD:0299972,4.62,n1(C)c(SCCN(CC2)CCN2c3ccc(cc3[N+](=O)[O-])C(F)(F)F)nnc1c4ccccc4,0.0
37388,CO-ADD:0287840,4.62,c1([nH]c(c(c2ccc(cc2)C)n1)c3ccc(cc3)C)c4c5c([nH]c4)cccc5,0.0
37389,CO-ADD:0292185,4.62,C(=O)(\C=C\c1ccccc1Cl)N2CCCCC2,0.0
37390,CO-ADD:0291454,4.62,C(=O)(Oc1ccccc1)NCc2ccco2,0.0
37391,CO-ADD:0291494,4.62,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c1Cl,0.0
37392,CO-ADD:0299414,4.62,N1(CC)\C(=N\CC)\S\C(=C\c(ccc2c3ccc(cc3C(O)=O)Cl)o2)\C1=O,0.0
37393,CO-ADD:0235372,4.62,c(c1O)c(ccc1\C=N\c(cc2)ccc2C(N)=O)N(CC)CC,0.0
37394,CO-ADD:0235442,4.62,c12n(c(c3s1)ccc(c3)C(OCC)=O)cc(c4ccccc4)n2,0.0
37395,CO-ADD:0235106,4.62,N(C(CCl)=O)c1ccc(cc1Cl)Cc(cc2)cc(c2NC(CCl)=O)Cl,0.0
37396,CO-ADD:0235735,4.61,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
37397,CO-ADD:0235728,4.61,N1(CC(=O)Nc2ccccc2)C(=O)c(c3C1=O)cccc3,0.0
37398,CO-ADD:0231881,4.61,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2cccc(c2)\C=N\c(cc3)ccc3N(CC4)CCO4)c1,0.0
37399,CO-ADD:0286944,4.61,c1(cccc(nsn2)c12)S(=O)(=O)NN,0.0
37400,CO-ADD:0286568,4.61,S(=O)(=O)(c(cccc1C(=O)N2CCCc(cccc3)c23)c1)N4CCc(c5C4)cccc5,0.0
37401,CO-ADD:0285610,4.61,C(=CC(\C=C/c(ccc1c(cccc2C(F)(F)F)c2)o1)=NC3=O)(C(F)(F)F)N3,0.0
37402,CO-ADD:0288806,4.61,c1(ccccc1)C(NCC#C)=O,0.0
37403,CO-ADD:0288563,4.61,N1(C(OC(C)(C)C)=O)CC(CCC1)Cc2ncc(C)n2Cc3ccc(F)cc3,0.0
37404,CO-ADD:0292003,4.61,[N+](=O)([O-])c1cc(Cl)ccc1c2ccc(o2)\C=C(/C#N)\C(NC)=O,0.0
37405,CO-ADD:0294402,4.61,c(nc(c1ccc(cc1)Cl)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)Cc4ccccc4,0.0
37406,CO-ADD:0295265,4.61,N(C1=C2CCC1)(C(N)=C(C2(C(F)(F)F)C(F)(F)F)C#N)c3sc(c4c3C#N)CCCC4,0.0
37407,CO-ADD:0294722,4.61,c12c(nnc(SCC(=O)Nc(ccc(c3Cl)F)c3)n1)c4c(cccc4)n2CCc5ccccc5,0.0
37408,CO-ADD:0294281,4.61,c1(Cc2ccccc2)n(CCO)c3c(cccc3)n1,0.0
37409,CO-ADD:0292767,4.61,c12c(c(nn1c3ccccc3)C)cc(C(=O)OC(C)C)s2,0.0
37410,CO-ADD:0293121,4.61,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccccc5OC(C)C)cccc4,0.0
37411,CO-ADD:0278259,4.61,c1(Sc2ccc(\C=N\NC(=O)c3ccccc3O)o2)nnc(c4ccccc4)n1c5ccccc5,0.0
37412,CO-ADD:0278610,4.61,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c3ccccc3OCCC)=O,0.0
37413,CO-ADD:0278797,4.61,c12c(n(c(Sc3nncn3C)n1)C)C(N(C)C(=O)N2C)=O,0.0
37414,CO-ADD:0277613,4.61,n1c(c2cccc(Oc3ccccc3)c2)[nH]c(c(c4c5c6cc(I)cc5)cc(cc4)I)c16,0.0
37415,CO-ADD:0277813,4.61,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc4OCC)cc(c4O)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
37416,CO-ADD:0277310,4.61,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3cccs3)c4sc(c5c4C#N)CCCC5,0.0
37417,CO-ADD:0259562,4.61,S1(=O)(=O)c(cccc2)c2C(N\N=C\c3cc(Cl)ccc3O)=N1,0.0
37418,CO-ADD:0257514,4.61,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C\c(ccc3c(cccc4[N+](=O)[O-])c4)o3,0.0
37419,CO-ADD:0257450,4.61,n12c(S\C(=C/c3ccccc3Cl)\C1=O)nnc2c4ccccc4,0.0
37420,CO-ADD:0257554,4.61,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(OCC)c3)n1,0.0
37421,CO-ADD:0257842,4.61,C1(C(OCCCCCCC)=O)=C(C)NC(NC1c2ccccc2OCC)=O,0.0
37422,CO-ADD:0257803,4.61,c1(\N=C\c(c(cccc2)c2n3Cc4ccccc4)c3)c(c5ccc(c(OCC)c5)O)nc(cccc6)n16,0.0
37423,CO-ADD:0257995,4.61,c12c(nnc(SCC(=O)Nc3ccccc3C#N)n1)c4c(cccc4)n2CCC,0.0
37424,CO-ADD:0283124,4.61,C(C(C)(C)O)#Cc(cc1)ccc1C#Cc(cc2)ccc2C#CC(C)(C)O,0.0
37425,CO-ADD:0277483,4.61,c1(SCC#C)nc(C)cc(C)n1,0.0
37426,CO-ADD:0278635,4.61,c1(C(O)=O)cc(ccc1N(CC2)CCN2c3ccccc3OC)[N+](=O)[O-],0.0
37427,CO-ADD:0289188,4.61,c1(C2)c(CCN2C(=O)OC(C)(C)C)[nH]nc1C(OCC)=O,0.0
37428,CO-ADD:0289182,4.61,C(OC)(=O)C(C)C(CCN1)CC1,0.0
37429,CO-ADD:0291761,4.61,c1(cc(n2)c3cccc(Br)c3)n2c(cc(C)n1)C,0.0
37430,CO-ADD:0291921,4.6,N1(C2c3ccc(cc3)C)C(S\C(=C/c(ccc4c5ccc(cc5Cl)Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
37431,CO-ADD:0290904,4.6,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)NCc(cc4)ccc4OC)c1C)cc(OC)cc3,0.0
37432,CO-ADD:0291740,4.6,[N+](=O)([O-])c(cccc1\C(\N)=N\OC(=O)c2ccco2)c1,0.0
37433,CO-ADD:0289204,4.6,C(=O)(c1ccc(cc1)OCC(CCCN2)C2)N(CCO3)CC3.Cl,0.0
37434,CO-ADD:0289260,4.6,c1(C2)c(ccc(COCc(ccc3C)cc3)c1)OCCN2.Cl,0.0
37435,CO-ADD:0289374,4.6,n1c(COc2ccccc2F)onc1C(CCCN3)C3,0.0
37436,CO-ADD:0289279,4.6,S(C)(=O)(=O)N1CCC(CC1)Cc(cc2)ccc2C(O)=O,0.0
37437,CO-ADD:0286199,4.6,C(C#N)(C(c1ccccc1OC)C2C(OC)=O)=C(SCC(OC)=O)NC2=O,0.0
37438,CO-ADD:0288058,4.6,c1(C(O)c2ccccc2OC)cnc(CC)n1C,0.0
37439,CO-ADD:0291034,4.6,C1(C#N)(C#N)C(c2cccc(Oc3ccccc3)c2)C4C(C(C#N)=C1N)=CCCC4,0.0
37440,CO-ADD:0290819,4.6,C(C1)(C2c3cccc(Cl)c3)=C(OC(N)=C2C#N)\C(\CN1C(C)C)=C\c4cccc(Cl)c4,0.0
37441,CO-ADD:0285357,4.6,c12c(ccc(OCC(C)=O)c1C)C(C)=C(C(=O)O2)CCCC,0.0
37442,CO-ADD:0285030,4.6,C12(C)N(CCC(=O)N1)c3c(cc(cc3)Br)C2(C)C,0.0
37443,CO-ADD:0287832,4.6,c1(c(C)nn(c2ccccc2)c1Cl)C3C(C#N)=C(N)Oc([nH]n4)c3c4c5ccccc5,0.0
37444,CO-ADD:0287007,4.6,C(=O)(Nc1ccccc1Cl)Nc2cccc(cccn3)c23,0.0
37445,CO-ADD:0299959,4.6,c1(\C(\CC2)=C\c3cccs3)c2c(c4cccs4)c(c(SCC(OC)=O)n1)C#N,0.0
37446,CO-ADD:0286608,4.6,C1(C(=O)NNC(=O)c2ccc(cc2)OCC=C)=Cc3c(OC1=O)ccc(Br)c3,0.0
37447,CO-ADD:0286633,4.6,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)NC(=S)NNC(=O)c3ccc(cc3)OCCCC,0.0
37448,CO-ADD:0299189,4.6,n1c(CNC(c2ccccc2)=O)scc1c3ccccc3,0.0
37449,CO-ADD:0285502,4.6,c1(SCc(cc2)ccc2c3ccccc3)[nH]c(c4n1)cccc4,0.0
37450,CO-ADD:0299693,4.6,c1(NC(N)=S)sc(c(C)c1C(OCC)=O)C,0.0
37451,CO-ADD:0287931,4.6,N1(NC(=O)c(ccc(c2C3=O)C(N3c4ccc(cc4)OC)=O)c2)C(=O)c5c(cccc5)C1=O,0.0
37452,CO-ADD:0287275,4.6,C1(C(=O)CSc2nccn2C)=Cc3c(OC1=O)cccc3.Br,0.0
37453,CO-ADD:0287971,4.6,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c(ccc5c6c(cccc7)c7n5CC)c6)cccc4,0.0
37454,CO-ADD:0291947,4.6,N1(c2ccc(cc2)F)C(=O)\C(=C\c(ccc3Br)o3)\C(NC1=S)=O,0.0
37455,CO-ADD:0291987,4.6,c1(scc(CC(OCC)=O)n1)NC(=O)c2ccc(cc2)C,0.0
37456,CO-ADD:0286779,4.6,N1(C(OCC)=O)c2c([C@]([H])(CN(C)CC3)[C@]13[H])cc(C)cc2.Cl,0.0
37457,CO-ADD:0286571,4.6,c1(C#N)c(cc(nc1SCC(=O)c(cc2)ccc2C(=O)CSc3nc(C)cc(C(F)(F)F)c3C#N)C)C(F)(F)F,0.0
37458,CO-ADD:0287655,4.6,c1(c2c(n(C)c1)cccc2)C(CC(c3ccccc3)=NN=C4c5ccccc5)=C4,0.0
37459,CO-ADD:0299349,4.6,c12c(n(c(Oc(ccc(c34)OCO3)c4)n1)C)C(N(C)C(=O)N2C)=O,0.0
37460,CO-ADD:0295986,4.6,c1(c2c(oc1C)CCCC2)C(=O)Nc(cc3)ccc3C(O)=O,0.0
37461,CO-ADD:0292572,4.6,N1(c2ccccc2)C(=O)c3c(N=C1SCc(cc4)ccc4C#N)cccc3,0.0
37462,CO-ADD:0294353,4.6,C(C)(C)(C(=O)OC(C12CCCCC1)c3ccc(cc3)Br)C2=O,0.0
37463,CO-ADD:0292818,4.6,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccc(c(F)c3)F)N4CCCCC4)[N+](=O)[O-],0.0
37464,CO-ADD:0293689,4.6,C(C(OC)=O)(CC(N1c2cccc(Cl)c2)=O)=C1C,0.0
37465,CO-ADD:0295479,4.6,C(/C(C)=O)(\C(OCC)=O)=C/Nc(c1)cc(cc1Cl)Cl,0.0
37466,CO-ADD:0278193,4.6,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c(cc4OC)cc(c4OC)OC,0.0
37467,CO-ADD:0277831,4.6,N1(C2c3ccccc3OC)C(S\C(=C\c(c4c([nH]5)cccc4)c5)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
37468,CO-ADD:0278500,4.6,C(C#N)(=C(N)OC(=C12)CCCC1=O)C2c3cccs3,0.0
37469,CO-ADD:0278803,4.6,c(C(OCC)=O)(c(cc(O)cc1)c1n2Cc(ccc(c34)OCO3)c4)c2C,0.0
37470,CO-ADD:0284932,4.6,[N+](=O)([O-])c1cc(ccc1Sc2nnc(C)s2)\C=N\c(ccc(c3s4)nc4SCC(=O)NC5CCCCC5)c3,0.0
37471,CO-ADD:0257516,4.6,N1(c2ccc(c(Cl)c2)F)C(c(cccc3[N+](=O)[O-])c3)Nc(c4C1=O)cccc4,0.0
37472,CO-ADD:0257428,4.59,C12c3c(cccc3)C(CC1C(=O)Nc(cc4)ccc4C(C)=O)c(cccc5)c25,0.0
37473,CO-ADD:0283283,4.59,N(C(=O)c(cccc1C(=O)Nc2sccn2)c1)c3sccn3,0.0
37474,CO-ADD:0284220,4.59,c1(C#N)c(SC)nsc1N\N=C\c(ccc(c2OC)O)c2,0.0
37475,CO-ADD:0283668,4.59,C1(C(OCCOC(C)C)=O)=C(C)NC(NC1c2ccc(c(Cl)c2)Cl)=O,0.0
37476,CO-ADD:0284476,4.59,c1(scc(c2ccc(cc2)C)n1)NC(C)=O,0.0
37477,CO-ADD:0279157,4.59,C(C(OCCOCC)=O)(C1c(cccn2)c2)=C(C)NC(CC(c3ccc(cc3)OC)CC4=O)=C14,0.0
37478,CO-ADD:0257465,4.59,c1(C#N)c(COC)cc(nc1OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccc(cc3)OC)C,0.0
37479,CO-ADD:0258950,4.59,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\c3ccc(cc3)F,0.0
37480,CO-ADD:0257682,4.59,C(=O)(c(cc1)ccc1C(C)(C)C)OCC(c2ccccc2)=O,0.0
37481,CO-ADD:0258880,4.59,N1(CN(CC2)CCO2)c(cccc3)c3\C(=N\NC(=O)c4ccc(cc4Cl)Cl)\C1=O,0.0
37482,CO-ADD:0257575,4.59,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc4c(cccc5C(F)(F)F)c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
37483,CO-ADD:0278923,4.59,c1(C(=O)OC(=N2)c3ccccc3)c2c4c(cccc4)o1,0.0
37484,CO-ADD:0278925,4.59,c12c(nc(C)nc1Nc(cc3)ccc3C)c4c(cccc4)o2,0.0
37485,CO-ADD:0284166,4.59,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc4c(ccc(c5Cl)Cl)c5)o4)\C1=O)=NC(C)=C2C(C)=O,0.0
37486,CO-ADD:0258075,4.59,c1(N\N=C\c(ccc(c2OC)O)c2)c(F)c(F)c(c(F)c1F)F,0.0
37487,CO-ADD:0258982,4.59,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c(ccc2c(cccc3[N+](=O)[O-])c3)o2)F,0.0
37488,CO-ADD:0290785,4.59,C(C(OCC)=O)(NC(COc1ccccc1)=O)(C(F)(F)F)Nc2sc(c3c2C(N)=O)CCCC3,0.0
37489,CO-ADD:0291108,4.59,C1(\C(\SS2)=N\c3cccc(C)c3C)=C2C(Nc(ccc(OC)c4)c14)(C)C,0.0
37490,CO-ADD:0291062,4.59,S(=O)(=O)(c1cc(C)ccc1C)Oc2c(Br)cc(c(cccn3)c23)Br,0.0
37491,CO-ADD:0291094,4.59,C(=O)(c1cccc(OC)c1)N2CCC(CC2)c3ccccc3,0.0
37492,CO-ADD:0288504,4.59,c1(c2ccccc2)ncc(C)n1C(CC3)CCN3.Cl.Cl,0.0
37493,CO-ADD:0288872,4.59,c(n1Cc(cc(c2F)Cl)cc2)(ncc1C)c3ccc([N+](=O)[O-])cc3Cl,0.0
37494,CO-ADD:0288826,4.59,C1(CC=CC1)C(NCC#C)=O,0.0
37495,CO-ADD:0289277,4.59,c1(C(OCC)=O)c(C)c(c(C)[nH]1)CNCc(ccc(c23)OCO2)c3.Cl,0.0
37496,CO-ADD:0300026,4.59,C1(=O)Oc(ccc(c2)N)c2C=C1c3ccccc3,0.0
37497,CO-ADD:0285126,4.59,c12c(nnc(SC(CC)C(=O)Nc3cccc(cccc4)c34)n1)c5c(cccc5)n2CCc6ccccc6,0.0
37498,CO-ADD:0285368,4.59,C(C(OCC)=O)(C(c1ccccc1OC(F)F)N2)=C(C)N(C2=O)C,0.0
37499,CO-ADD:0291164,4.59,c1(C(c2ccc(cc2)CC)C(C#N)C#N)c(C)n[nH]c1O,0.0
37500,CO-ADD:0291180,4.59,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4Cl)c1Cl,0.0
37501,CO-ADD:0290989,4.59,N1=C(SCCOc2ccccc2)Nc(c3C1=O)cccc3,0.0
37502,CO-ADD:0291029,4.59,S(=O)(=O)(N(CC1)CCN1Cc2ccccc2)c3ccc(c(Cl)c3Cl)Cl,0.0
37503,CO-ADD:0299937,4.59,C(=C(C)NC(=C1C#N)SCC(=O)Nc(ccc(c2Cl)Cl)c2)(C(=O)Nc3ccccc3OC)C1c4ccccc4,0.0
37504,CO-ADD:0299434,4.59,C(CCN(Cc(cc1)ccc1N(C)C)C(C)=O)(C(CCOC2(C)C)C2)c3ccccc3OC,0.0
37505,CO-ADD:0299306,4.59,C(F)(F)(F)c1cccc(c1)NC(=O)NCC2COc(c3O2)cccc3,0.0
37506,CO-ADD:0291295,4.59,n1(c2c(n3)cccc2)c3S\C(=C\C=C/c4ccccc4Cl)\C1=O,0.0
37507,CO-ADD:0299439,4.59,c1(C#N)c(SCC(=O)Nc2scc(c3ccccc3)n2)nc(cc1C(F)(F)F)c4ccccc4,0.0
37508,CO-ADD:0299843,4.59,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c3ccc(C)s3)\C1=O)=O,0.0
37509,CO-ADD:0287245,4.59,C(=O)(NNC(=O)c1ccc(c(OC)c1)OC)C(=O)NC(C)c2ccccc2,0.0
37510,CO-ADD:0287376,4.59,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5ccc(cc5Cl)Cl)C6=C2CCCC6=O)C#N,0.0
37511,CO-ADD:0287258,4.59,c1(C(=O)c2ccc(cc2)CCCC)sc3c(c(C)cc(C)n3)c1N,0.0
37512,CO-ADD:0287628,4.59,c(c(C)nc(c1C#N)SC)(c1CC)C(=O)Nc2ccccc2,0.0
37513,CO-ADD:0300003,4.59,c1(C(=O)c2ccc(cc2)C)oc(c3c1N)cccc3,0.0
37514,CO-ADD:0299745,4.59,n1(c2ccccc2)c(CSc(cc3)ccc3OC)nnc1S,0.0
37515,CO-ADD:0299809,4.59,N1(c(cc2)ccc2C(O)=O)C(=O)NC(\C(=C/c(c3c([nH]4)cccc3)c4)\C1=O)=O,0.0
37516,CO-ADD:0291608,4.59,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(NCCCN(CC)CC)=O,0.0
37517,CO-ADD:0287393,4.59,C(=O)(Oc(cc1)c(OCC)cc1C(=S)N2CCC(CC2)C)c3ccccc3Br,0.0
37518,CO-ADD:0295458,4.59,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c(cc3)c(cccn4)c4c3[N+](=O)[O-],0.0
37519,CO-ADD:0295153,4.59,c1(Nc2cccc(cccc3)c23)nc(NN)nc(NN)n1,0.0
37520,CO-ADD:0294726,4.59,C1(=O)C(CC(=O)N1)N(CC2)CCN2Cc(cc3)ccc3Cl,0.0
37521,CO-ADD:0293503,4.59,C(C(C)=O)(C1c2ccc(c(OC)c2)OC)=C(O)C(N1CC(O)=O)=O,0.0
37522,CO-ADD:0294678,4.58,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4c5ccccc5C,0.0
37523,CO-ADD:0295095,4.58,c1(cc(ccc1Oc(cc2)c(OC)cc2C(=O)Nc(c(OC)ccc3C(F)(F)F)c3)C(F)(F)F)[N+](=O)[O-],0.0
37524,CO-ADD:0284261,4.58,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccn4)c1Br,0.0
37525,CO-ADD:0283974,4.58,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)Cl)C3c5cc6c(cc5Br)OCO6,0.0
37526,CO-ADD:0258951,4.58,N1(c2ccccc2)C(=O)CC(N(CC3)CCN3CCN\C=C(\C(=O)C4)/C(=O)CC4(C)C)C1=O,0.0
37527,CO-ADD:0257723,4.58,N1(C(=O)c2cccc(C)c2)N=C(CC1(O)C(OCC)=O)C,0.0
37528,CO-ADD:0258665,4.58,N12C(S\C(=C\c(cc3OC)cc(c3O)Br)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)ccc4OC,0.0
37529,CO-ADD:0257709,4.58,C(=N/c1ccccc1)(/SC=C2c3ccc(cc3)I)\N2CCCO.Br,0.0
37530,CO-ADD:0257854,4.58,N1C(=O)\C(\SC1=S)=C/c(cc2Br)cc(c2OC)Br,0.0
37531,CO-ADD:0257679,4.58,n1(CC=C)c(SCc(cc2)ccc2C(O)=O)nnc1c3cccc(OC)c3,0.0
37532,CO-ADD:0257623,4.58,C(/C#N)(\C(N)=O)=C/c(cc(OC)c(c1)OCC)c1Br,0.0
37533,CO-ADD:0257335,4.58,c1(cn(nc1C(=O)Oc(cc2)ccc2\C=C(/C#N)\C(OCC)=O)C)[N+](=O)[O-],0.0
37534,CO-ADD:0258777,4.58,C1(C(OCCCC)=O)=C(C)NC(=C2C1c3cccc(OC)c3OC)CCCC2=O,0.0
37535,CO-ADD:0259193,4.58,N1(C)C(=S)SC(C)(C)C1\[N+](\[O-])=C\c(cc2)ccc2Cl,0.0
37536,CO-ADD:0258119,4.58,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4cccc(C)c4)c3)\N2,0.0
37537,CO-ADD:0257352,4.58,N12C(C1c3ccccc3)C(=NC2c4ccccc4)c5ccccc5,0.0
37538,CO-ADD:0278509,4.58,c1(C(OCC)=O)c(cc(O)cc2)c2n(C)c1CN(CC3)CCO3,0.0
37539,CO-ADD:0283135,4.58,c12c(ccnc1N(CC3)CCN3c4nccc(n(nn5)C)c45)n(nn2)C,0.0
37540,CO-ADD:0259445,4.58,c12c(nnc(SCC(=O)N(c3c4cccc3)c5c(S4)cccc5)n1)c6c(cccc6)n2CCc7ccccc7,0.0
37541,CO-ADD:0259542,4.58,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c(cc3OC)cc(c3O)Cl)=O,0.0
37542,CO-ADD:0299859,4.58,c1(SCCO)nc(C)cc(C)n1,0.0
37543,CO-ADD:0289265,4.58,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CCN)CC2.Cl,0.0
37544,CO-ADD:0288488,4.58,n1(CC2CC2)c(C)cnc1C3CCCCN3.Cl.Cl,0.0
37545,CO-ADD:0299151,4.58,c1(cc(Br)ccc1NC(CSc2ncccn2)=O)C(F)(F)F,0.0
37546,CO-ADD:0285506,4.58,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(c5)OCc6ccccc6F,0.0
37547,CO-ADD:0290574,4.58,c1(scc(c(cc2)ccc2c3ccccc3)c1C(OCC)=O)NC(=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O,0.0
37548,CO-ADD:0290886,4.58,C1(NS(=O)(=O)c2ccc(c(cccc3)c23)OC)=C(C)N(N(c4ccccc4)C1=O)C,0.0
37549,CO-ADD:0291022,4.58,S(=O)(=O)(NCc1ccco1)c2cc(C)ccc2OC,0.0
37550,CO-ADD:0292191,4.58,N1(C(c2ccccc2)CC(\C=C\c3ccccc3)=N1)c4c(Cl)ccc(Cl)c4,0.0
37551,CO-ADD:0291776,4.58,N1(C(=O)c2ccc(cc2)Cl)N=C(CC1(O)c3ccc(cc3)Cl)C,0.0
37552,CO-ADD:0291729,4.58,N1=C(c2ccccc2)OCC1(CO)CO,0.0
37553,CO-ADD:0299263,4.58,C1(C(F)(F)F)(C(F)(F)F)C=C(C)N(C(N)=C1C#N)c(cc2)ccc2S(=O)(=O)Nc3ncccn3,0.0
37554,CO-ADD:0299287,4.58,C1(C2=S)=C(C(Nc(ccc(OC)c3)c13)(C)C)SN2c4ccccc4C,0.0
37555,CO-ADD:0291614,4.58,N12C(S\C(=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)c(cc5Br)OC,0.0
37556,CO-ADD:0291462,4.58,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2N3CCCCC3,0.0
37557,CO-ADD:0287851,4.58,c1(cc(Br)ccc1NC(=O)c2ccc(cc2)OCCC)C(O)=O,0.0
37558,CO-ADD:0287660,4.58,N(CC(c1ccccc1)=O)(C(C)=CC(=C2C#N)COC)C2=O,0.0
37559,CO-ADD:0299703,4.58,c1(N(CC2)CCN2CCCN3c4c(cccc4)Sc(ccc(c5)C(F)(F)F)c35)scc(c6ccc(cc6)F)n1.Cl,0.0
37560,CO-ADD:0289104,4.58,C(=O)(OC(C)(C)C)N(CCC1(CC)C(OC)=O)CC1,0.0
37561,CO-ADD:0288915,4.58,n12c(cc(C)n1)c3c(Oc4c2ccc(c4)C(OC)=O)cccc3,0.0
37562,CO-ADD:0299178,4.58,N1(Cc(cc2)ccc2Cl)C(=O)C(CC1=O)NCCc(cc3)ccc3S(N)(=O)=O,0.0
37563,CO-ADD:0285501,4.57,c1(SCC(=O)c2cccs2)sc3c(ccc(OCC)c3)n1,0.0
37564,CO-ADD:0287227,4.57,c1(C(=O)N(CC)CC)cn(nc1C23CC(CC4C2)CC(C4)C3)c5ccccc5,0.0
37565,CO-ADD:0291707,4.57,n1(c2ccc(cc2)OCC)nc(c3n1)ccc(NC(=O)c(cc4)ccc4C(C)(C)C)c3,0.0
37566,CO-ADD:0299423,4.57,N1(c2cccc(C)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C(OC)=O,0.0
37567,CO-ADD:0284967,4.57,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccccc4)C3c(cc5OC)cc(c5O)Br,0.0
37568,CO-ADD:0285816,4.57,C(F)(F)(F)C(=O)Nc(cccc1C(=O)\C=C\c(cc2)ccc2\C=C\C(=O)c(cccc3NC(=O)C(F)(F)F)c3)c1,0.0
37569,CO-ADD:0286911,4.57,c12c(nnc(SC(CC)C(=O)Nc(cc3)ccc3OC(F)(F)F)n1)c4c(cccc4)n2CC=C,0.0
37570,CO-ADD:0295061,4.57,C(NNC(N1C)=S)(N(C)C(N2C)=O)C12,0.0
37571,CO-ADD:0295054,4.57,N1(CN(CC2)CCC2c3ccccc3)N=C(OC1=S)COc4ccccc4,0.0
37572,CO-ADD:0292210,4.57,C(=O)(c1ccccc1C)N(CC2)CCN2C=O,0.0
37573,CO-ADD:0294656,4.57,c1(C(OCC)=O)c2c(n(C)c1C)cc(C)c(O)c2,0.0
37574,CO-ADD:0293742,4.57,n1(c2ccc(cc2)Oc(cc3)ccc3OC)c(C)c(cc1C)C=O,0.0
37575,CO-ADD:0293477,4.57,c(C1CCC2)(c23)n(CCN1C(c4ccccc4)=O)c(c35)ccc(C6CCCCC6)c5,0.0
37576,CO-ADD:0277515,4.57,C(=O)(NC(C)C)C(=O)NCc1ccccc1OC,0.0
37577,CO-ADD:0277622,4.57,C(C#N)(C(c1ccccc1[N+](=O)[O-])C2C(OC)=O)=C(SCC(=O)Nc(cc3)ccc3Br)NC2=O,0.0
37578,CO-ADD:0277662,4.57,c12c(nnc(SCC(=O)Nc3nnc(C(C)C)s3)n1)c4c(cccc4)n2CCc5ccccc5,0.0
37579,CO-ADD:0277382,4.57,N1(c2c(OC)ccc(OC)c2)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
37580,CO-ADD:0259970,4.57,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(SC1c3ccccc3)C,0.0
37581,CO-ADD:0259763,4.57,n1(nnc(C(OCC)=O)c1CSc2sc3c(ccc(OCC)c3)n2)c4nonc4N,0.0
37582,CO-ADD:0257247,4.57,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc5c(cc6)c(C)cc6[N+](=O)[O-])o5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
37583,CO-ADD:0257759,4.57,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(ccc3c4ccc(cc4)Br)o3)\N2,0.0
37584,CO-ADD:0258380,4.57,C(=C/c(ccc1Sc2sc3c(ccc(OCC)c3)n2)o1)(/C4=O)\C(=O)N(C(=O)N4C)C,0.0
37585,CO-ADD:0257663,4.57,c1(C(OCC)=O)c2c(oc1CSC(NC(C)=C(C3CC(C)C)C(C)=O)=C3C#N)ccc(O)c2,0.0
37586,CO-ADD:0258477,4.57,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)\C(\SC1=S)=C\C(\C)=C\c3ccccc3,0.0
37587,CO-ADD:0278447,4.57,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)N(CC2)CCN2c3ccccc3OC,0.0
37588,CO-ADD:0283549,4.57,C(/Nc(cc1)ccc1Br)(\C(F)(F)F)=C\C(=O)c2ccc(cc2)Br,0.0
37589,CO-ADD:0257597,4.57,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(ccc3c(cc4)ccc4C(O)=O)o3)\N2,0.0
37590,CO-ADD:0257310,4.57,n1c2c(cccc2)c(cc1Nc(cc3)ccc3NC(C)=O)C,0.0
37591,CO-ADD:0257334,4.57,c(c(\C=C\c1cccc(OC)c1)nc(n2)O)([N+](=O)[O-])c2O,0.0
37592,CO-ADD:0259031,4.57,[n+]1(cccc(C)c1)\C=C\C(O)=O.[Br-],0.0
37593,CO-ADD:0290831,4.57,S(=O)(=O)(c1ccc(cc1)OCCCC)Oc2c(Cl)cc(c(cccn3)c23)Cl,0.0
37594,CO-ADD:0290983,4.57,S1(=O)(=O)c(cccc2)c2C(N(C)CC(COc3ccccc3)OC(=O)c4ccccc4Cl)=N1,0.0
37595,CO-ADD:0290903,4.57,N(CCCN1Cc2ccccc2)(Cc3ccccc3)C1c(ccc(c45)OCO4)c5,0.0
37596,CO-ADD:0288684,4.57,C(=O)(OC(C)(C)C)N(CCC1c(n(C2CCOCC2)c(c3)C)n3)CC1,0.0
37597,CO-ADD:0288633,4.57,C(OC(C)(C)C)(N(C1)CCC(C1)n2c(C)ncc2C)=O,0.0
37598,CO-ADD:0299216,4.57,C(C(OC)=O)(C(F)(F)F)(NC(OC)=O)Nc1sc(c2c1C#N)CCCC2,0.0
37599,CO-ADD:0287502,4.57,C1(SC(=C2C(OC)=O)C(OC)=O)(S2)C(C(OC)=O)=C(C(OC)=O)SC(C(Nc3c4cc(C)cc3C)(C)C)=C14,0.0
37600,CO-ADD:0286395,4.57,c1(C#N)c(SC\C=C\CSc2nc(c3cccs3)cc(C(F)(F)F)c2C#N)nc(cc1C(F)(F)F)c4cccs4,0.0
37601,CO-ADD:0290565,4.57,C(C(O)=O)#CC1CC1,0.0
37602,CO-ADD:0291732,4.57,c12c(n(c(SCC(C)C)n1)C\C=C\C)C(NC(=O)N2C)=O,0.0
37603,CO-ADD:0291620,4.57,c12c(C(NC(=O)N1C)=O)n(c(SCCCCCCCC)n2)Cc3cccc(Br)c3,0.0
37604,CO-ADD:0290509,4.57,n1(c2cccc(cccc3)c23)nnnc1SCc(c(OC)ccc4C(C)=O)c4,0.0
37605,CO-ADD:0286265,4.56,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c(cc4)ccc4F)\SC(C(O)=O)CC1=O,0.0
37606,CO-ADD:0291765,4.56,c1(N2CCCCC2)nc(C)cc(COC)c1C#N,0.0
37607,CO-ADD:0292045,4.56,C(=C\c(ccc1c(ccc(c2C(OC)=O)Cl)c2)o1)(/C3=O)\Sc(c34)cccc4,0.0
37608,CO-ADD:0291587,4.56,C(C#N)(C(c(cc1)ccc1C(C)C)CC(N2)=O)=C2SCC(OCCC)=O,0.0
37609,CO-ADD:0287517,4.56,c1(c2ccccc2Cl)noc(C)c1C(=O)NNC(=O)c3nn(cc3Cl)C,0.0
37610,CO-ADD:0292152,4.56,C1(C(OC)=O)=C(C)NC(NC1c2cccc(OC)c2)=O,0.0
37611,CO-ADD:0291496,4.56,c1(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3nc(C(NCCCN(CC4)CCO4)=O)c1Cl,0.0
37612,CO-ADD:0291873,4.56,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2OC)N(CC3)CCN3CCO,0.0
37613,CO-ADD:0291889,4.56,C(C(C)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(O)C(N1c3ccc(cc3)O)=O,0.0
37614,CO-ADD:0289203,4.56,C(=O)(c1ccc(cc1)OCC(CC2)CCN2)N3CCCC3.Cl,0.0
37615,CO-ADD:0289365,4.56,c(CN(CC1)CCN1)(c2c([nH]3)cccc2)c3.Cl,0.0
37616,CO-ADD:0286940,4.56,N12C(N=C(N)c(c3c(CCCC3)s4)c14)=C(C(c5ccc(c(OC)c5)OC)C6=C2CCCC6=O)C#N,0.0
37617,CO-ADD:0286988,4.56,S(=O)(=O)(N\C(\NCc1ccccc1Cl)=N\c2nc(C)cc(C)n2)c3c(Cl)nc(c(Cl)c3C)C,0.0
37618,CO-ADD:0290931,4.56,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)c4ccc(C)s4)cccc3,0.0
37619,CO-ADD:0290405,4.56,C(=N\c1cc(Cl)cc(Cl)c1)(/SC(C(O)=O)CC2=O)\N2C,0.0
37620,CO-ADD:0291086,4.56,C(/c1c2cccc1)(\c(cccn3)c23)=C(/C=C(O4)c5ccc(cc5)OC)\C4=O,0.0
37621,CO-ADD:0291678,4.56,c1(NC(CN(CC)CC)=O)sc(c2c1C#N)CCCC2,0.0
37622,CO-ADD:0285172,4.56,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4)cc(c4Oc5ccc(cc5C(F)(F)F)[N+](=O)[O-])OC)\C1=O,0.0
37623,CO-ADD:0299586,4.56,S(=O)(=O)(c1cccc(N)c1)N2CCCC2,0.0
37624,CO-ADD:0293632,4.56,C(C#N)(C1c2ccc(cc2)Cl)=C(SCC(=O)Nc(cc3)ccc3OCC)NC(CCCC4=O)=C14,0.0
37625,CO-ADD:0293616,4.56,C(C#N)(C(C)=CC(N1)=O)=C1SCC(C)=C,0.0
37626,CO-ADD:0294756,4.56,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(c(OC)c4)OC)ccc(C)c3,0.0
37628,CO-ADD:0294505,4.56,C(C(c1ccccc1)=O)(C2c3ccc(c(OC)c3)O)=C(O)C(N2CCCC(O)=O)=O,0.0
37629,CO-ADD:0293423,4.56,C1(Nc2nc(C)c(c3n2)ccc(OCC)c3)=NC(C=C(C)N1)(C)C,0.0
37630,CO-ADD:0277312,4.56,C1(Nc(cc2)ccc2N3CCCC3)=CC(=O)NC(=O)N1,0.0
37631,CO-ADD:0277640,4.56,C1(C)(C2(CCCCC2)OC3=O)N3CCc(cc(OC)c(OC)c4)c14,0.0
37632,CO-ADD:0259804,4.56,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c3ccc(c(Cl)c3)Cl)=O,0.0
37633,CO-ADD:0259812,4.56,C1(C(=O)OCC(Cl)(Cl)Cl)=C(C)NC(NC1c2cccc(cccc3)c23)=O,0.0
37634,CO-ADD:0278796,4.56,C(/S\C(\C1=O)=C/c(cn(n2)Cc(ccc(c3Cl)Cl)c3)c2c4ccccc4)(=N\C(C)=O)\N1,0.0
37635,CO-ADD:0284244,4.56,C(=O)(N\N=C(\CC)/CC)C(=O)Nc(cc1)ccc1C,0.0
37636,CO-ADD:0283383,4.56,N(C(=O)C(Cc1ccccc1)C(N2)=O)=C2SCC(=O)c3ccc(cc3)Br,0.0
37637,CO-ADD:0277410,4.56,c(C#N)(c(\C(\C#N)=C\c(ccc1c2cc(Cl)ccc2OC)o1)nn3c4ccccc4)c3N,0.0
37638,CO-ADD:0278889,4.56,N1(c2cccc(cccc3)c23)C(=O)\C(=C\c(ccc(c4OC)OC)c4)\C(NC1=S)=O,0.0
37639,CO-ADD:0278913,4.56,N1(N=C(CC1(O)c2ccc(cc2)Cl)C)C(=O)c3ccccc3Cl,0.0
37640,CO-ADD:0283996,4.56,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4cc5c(cc4Br)OCO5,0.0
37641,CO-ADD:0277369,4.56,c1(C(N2CCCCC2)c3ccc(cc3Cl)Cl)nnnn1c4cccc(Cl)c4,0.0
37642,CO-ADD:0283874,4.56,C12=C(CC(c3ccccc3)CC1=O)NC(=C(C#N)C2c4cccc(OC)c4OC)C,0.0
37643,CO-ADD:0284378,4.56,c12c(ccc(cccc3)c13)NC(CC2c4ccccc4Cl)=O,0.0
37644,CO-ADD:0278891,4.56,C12(CC(C)(C)NC(=O)N1)CC(c3ccccc3)Oc4c2ccc(c4)O,0.0
37645,CO-ADD:0259900,4.56,n(C(C)(C)Cc(c12)c(OC)ccc1OC)(c(c3ccccc3)nn4)c24,0.0
37646,CO-ADD:0283682,4.56,c1(c2c(sc1NC(=O)c3ccccc3F)CCCC2)C(=O)N(CC4)CCN4Cc5ccccc5,0.0
37647,CO-ADD:0284291,4.56,C(=C/c(cc1)ccc1OC(=O)c2ccc(cc2)Cl)(/C3=O)\C(c4ccccc4)=NO3,0.0
37648,CO-ADD:0260216,4.56,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)\C=C\c4ccccc4)n1,0.0
37649,CO-ADD:0286597,4.56,c1(cc(OC)ccc1OC)C(=O)c(cc2)ccc2C(NCC=C)=O,0.0
37650,CO-ADD:0291048,4.56,S(=O)(=O)(c1c(Cl)ccc(c1)[N+](=O)[O-])n2c3c(nc2)cccc3,0.0
37651,CO-ADD:0299949,4.56,C(C#N)(C(c1ccccc1OCC)C(C#N)C(N2)=O)=C2SCc3ccccc3,0.0
37652,CO-ADD:0286782,4.56,N1(C(=O)c2ccc(cc2)F)c3c([C@]([H])(CN(C)CC4)[C@]14[H])cc(C)cc3.Cl,0.0
37653,CO-ADD:0300015,4.56,n1c(N2CC(C)CC(C)C2)c(Nc(ccc(c34)OCO3)c4)nc(non5)c15,0.0
37654,CO-ADD:0300079,4.56,c1(ccc(\C=C\C(O2)=Nc(c3C2=O)cccc3)s1)[N+](=O)[O-],0.0
37655,CO-ADD:0299841,4.56,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c3ccc(C)o3)\C1=O)=O,0.0
37656,CO-ADD:0291957,4.56,C(C(c1ccccc1)=O)(C2c3ccc(cc3)C)=C(O)C(N2c4ccc(cc4)F)=O,0.0
37657,CO-ADD:0290375,4.56,C(C(c1ccccc1)=O)(C2c3ccc(cc3)F)=C(O)C(N2c4cccc(c4)[N+](=O)[O-])=O,0.0
37658,CO-ADD:0285165,4.56,N1(CN(C2CCCCC2)CN3C(=O)C4C(CC(=CC4)Cl)C3=O)C(=O)C5C(CC(=CC5)Cl)C1=O,0.0
37659,CO-ADD:0290474,4.55,C(/S(CCCC)(=O)=O)(\S(CCCC)(=O)=O)=C(\Nc(cc1)ccc1OCCCC)/Nc(cc2)ccc2OCCCC,0.0
37660,CO-ADD:0290674,4.55,c12c(c3c(cccc3)[nH]1)nnc(NN)n2,0.0
37661,CO-ADD:0290530,4.55,C1(CCCCC1)(C(=O)O2)C(=O)C(C2c3ccc(cc3Cl)Cl)(C)C,0.0
37662,CO-ADD:0292130,4.55,c1(c2c(C)ccc(c2)NC(COc3ccccc3)=O)oc(c4n1)cccn4,0.0
37663,CO-ADD:0291859,4.55,c1(C#N)c(N)[nH]nc1\C(\C#N)=C\c(cc(Br)cc2Br)c2OCC=C,0.0
37664,CO-ADD:0291484,4.55,n1(nc(c2C(=O)Nc(cccc3C(F)(F)F)c3)C)c2nc(c4ccc(cc4)Cl)cc1C(F)(F)F,0.0
37665,CO-ADD:0291829,4.55,c1(cnc(NC(COc2ccccc2)=O)s1)S(=O)(=O)c(cc3)ccc3[N+](=O)[O-],0.0
37666,CO-ADD:0291477,4.55,c1(C(F)(F)F)cc(n(CC(OCC)=O)n1)C,0.0
37667,CO-ADD:0292189,4.55,N1(c2cc(C)cc(C)c2)C(=O)NC(\C(=C/c(ccc3c4c(Cl)ccc(c4)[N+](=O)[O-])o3)\C1=O)=O,0.0
37668,CO-ADD:0287278,4.55,N(c1c2cccc1)=C(CCC(O)=O)C(N2)=O,0.0
37669,CO-ADD:0287905,4.55,c1(C(=O)OC(C)C)c(C)c(sc1NC(=O)c2c(cccc2F)F)C(=O)N(CC)CC,0.0
37670,CO-ADD:0288645,4.55,C(OC(C)(C)C)(=O)N(CC1n(c2C)c(C3CCC3)nc2)CCC1,0.0
37671,CO-ADD:0289013,4.55,c1(C(=O)Nc2cccc(Cl)c2)sc(nn1)CCC(O)=O,0.0
37672,CO-ADD:0285548,4.55,n1(c(C)cc(c2ccccc2)n1)C(C(O)=O)CC(O)=O,0.0
37673,CO-ADD:0286761,4.55,N1(N=C(CC1(O)C(F)(F)F)CCCC)C(=O)c(cccn2)c2,0.0
37674,CO-ADD:0286825,4.55,N1(Nc(cc2)ccc2C)C(=O)OC(C)(CC)C1(C)O,0.0
37675,CO-ADD:0286276,4.55,N1(CNc2ccccc2C(OCC)=O)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
37676,CO-ADD:0286414,4.55,S(=O)(=O)(c1ccc(cc1)Cl)Cc2nnc(N)o2,0.0
37677,CO-ADD:0295267,4.55,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c(cccc1C(F)(F)F)c1)Nc2sc(c3c2C#N)CCCCC3,0.0
37678,CO-ADD:0294941,4.55,c1(oc(c2n1)ccc(c2)NC(=O)c3ccc(cc3Cl)Cl)c4cc(Br)ccc4Cl,0.0
37679,CO-ADD:0293110,4.55,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cccc4C(F)(F)F)c4)cccc3,0.0
37680,CO-ADD:0292632,4.55,N1(C(=O)CSc2nnc(C)s2)c3c(cccc3)C(CC1(C)C)(C)c4ccc(cc4)Br,0.0
37681,CO-ADD:0295377,4.55,N1(C(c2ccccc2)CC(c3ccccc3)=N1)c4scc(c5ccccc5)n4,0.0
37682,CO-ADD:0293368,4.55,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5cccc(OC)c5OC)cccc4,0.0
37683,CO-ADD:0259176,4.55,c1(coc(ccc(O)c2CN(CC3)CCO3)c12)C(=O)c4cccs4,0.0
37684,CO-ADD:0258792,4.55,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c3cccc(Br)c3)\N2c4ccccc4,0.0
37685,CO-ADD:0259184,4.55,N1(C)C(=S)SC(C)(C)C1\[N+](\[O-])=C\c2c(cccc2F)Cl,0.0
37686,CO-ADD:0284473,4.55,N1(c2ccc(cc2)O)C(=O)c(c3C1=O)cccc3,0.0
37687,CO-ADD:0258770,4.55,n1(c2ccccc2)nc(c(\C=N\Nc3ccccc3)c1Cl)C,0.0
37688,CO-ADD:0284235,4.55,n1(c(C)ccc1C)c2cccc(c2)C(=O)N\N=C\c(cc3Br)cc(c3O)Br,0.0
37689,CO-ADD:0277413,4.55,c(c1c([nH]2)cccc1)(C3)c2CCN3C(OCC)=O,0.0
37690,CO-ADD:0277445,4.55,N1(C(=O)c2ccc(cc2)OC)C(O)(c3ccc(cc3)F)CC(C(F)(F)F)=N1,0.0
37691,CO-ADD:0277438,4.55,N1(C2c3ccccc3)C(S\C(=C\c4ccc(cc4C)OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
37692,CO-ADD:0283307,4.55,n12c(ccc(N(CC3)CCN3c4cccc(Cl)c4)n1)nnc2C(F)(F)F,0.0
37693,CO-ADD:0279170,4.55,n1c(c(cc2)ccc2[N+](=O)[O-])[nH]c(c3c(cccc3)c(cccc4)c45)c15,0.0
37694,CO-ADD:0278938,4.55,N12C(C)(CCC1=O)SCC2C(O)=O,0.0
37695,CO-ADD:0279196,4.55,N1(c2ccccc2)C(=O)CC(N(Cc(cc3)ccc3OC)C(=O)\C=C\C(O)=O)C1=O,0.0
37696,CO-ADD:0278933,4.55,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)N3CCCc(cccc4)c34)o1,0.0
37697,CO-ADD:0279006,4.55,N1(C(C)(C)C)C(=O)c(c2C1=O)ccc(c2)C(=O)Nc(cc3)ccc3O,0.0
37698,CO-ADD:0259649,4.55,[n+](ncn1[N-][N+](=O)[O-])(c1)[N-][N+](=O)[O-].O,0.0
37699,CO-ADD:0257658,4.55,C(c(cc1OC)cc(c1OC)OC)(OC2=O)=Nc(c23)cc(c(OC)c3)OC,0.0
37700,CO-ADD:0257947,4.55,N1(c2ccc(cc2)C)C(=O)\C(=C\c3ccc(cc3OCC)OCC)\C(NC1=S)=O,0.0
37701,CO-ADD:0257332,4.55,C(=C\c(ccc1c(ccc(c2C(O)=O)Cl)c2)o1)(/C(=O)NN3c4ccc(c(C)c4)C)\C3=O,0.0
37702,CO-ADD:0258060,4.55,N1(c2ccc(cc2)Cl)C(=O)CC(N(Cc3ccco3)C(CCC(O)=O)=O)C1=O,0.0
37703,CO-ADD:0259662,4.55,C12=C(SC(CC=C3)C3S1)SC(=S)S2,0.0
37704,CO-ADD:0259996,4.55,n1(CC(=O)c(cc2)ccc2C(=O)NNC(=O)c3ccccc3Br)c(C)c(c(C)n1)Cl,0.0
37705,CO-ADD:0277969,4.55,C(/C(C)=O)(=N/Nc1cccc(Cl)c1C)\Sc2cccc(cccn3)c23,0.0
37706,CO-ADD:0283209,4.55,c1(C(=O)OCC(=O)c2cc(C)ccc2C)nonc1N,0.0
37707,CO-ADD:0277993,4.55,N1(c2ccccc2)C(=O)\C(=C\c(cc(n3c4ccc(cc4)Cl)C)c3C)\C(NC1=S)=O,0.0
37708,CO-ADD:0279217,4.55,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cc5OC)cc(c5OC)OC)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
37709,CO-ADD:0277682,4.55,c1(NC(CSc2nnc(N)s2)=O)nnc(SCC(=O)Nc(cc3)ccc3C(OC)=O)s1,0.0
37710,CO-ADD:0286822,4.55,N1(Nc2ccccc2)C(=O)OC(C)(C)C1(C)O,0.0
37711,CO-ADD:0286966,4.55,C1(NC(=O)c2c(Cl)c3c(cccc3)s2)=C(C)N(N(c4ccccc4)C1=O)C,0.0
37712,CO-ADD:0299966,4.55,[N+](=O)([O-])c(ccc(c1O2)OC23CCCCC3)c1,0.0
37713,CO-ADD:0291050,4.54,S(=O)(=O)(N(CC1)CCN1Cc2ccccc2)c3c(OC)cc(c(OC)c3)Cl,0.0
37714,CO-ADD:0285973,4.54,O[C@@H]1[C@H](C/C=N/NC(C2=CC=NC=C2)=O)[C@@H](/C=C/[C@@H](O)COC3=CC(Cl)=CC=C3)[C@H](O)C1,0.0
37715,CO-ADD:0299849,4.54,N1(c2ccccc2)C(=O)NC(\C(=C/c(ccc(c3OC)OC)c3OC)\C1=O)=O,0.0
37716,CO-ADD:0300066,4.54,N1(C2CCCCC2)C(=O)NC(\C(=C/c(cc3)ccc3C(O)=O)\C1=O)=O,0.0
37717,CO-ADD:0286331,4.54,c1(CC(=O)Nc2ccccc2C(F)(F)F)c(SC)c(c3n1C)cc(cc3)C,0.0
37718,CO-ADD:0286420,4.54,n(ncn1)(c1N(C)N=C2[N+](=O)[O-])C2=O,0.0
37719,CO-ADD:0286909,4.54,C1(SCC(=O)Nc(cc2)ccc2OC(F)(F)F)=NCCS1,0.0
37720,CO-ADD:0299237,4.54,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3Cc(cc4)ccc4Cl)C1=O,0.0
37721,CO-ADD:0291930,4.54,C(=O)(Nc(cc1)ccc1Cc(cc2)ccn2)c3ccc(c4c3)cccc4,0.0
37722,CO-ADD:0291804,4.54,S1(CCC(C1)OC(=O)Nc2ccccc2)(=O)=O,0.0
37723,CO-ADD:0291940,4.54,N1(C2c3ccccc3Cl)C(S\C(=C/c(cc(n4c5ccc(cc5)I)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
37724,CO-ADD:0291956,4.54,C(C(=O)\C=C\c1ccccc1)(C2c3ccc(cc3)F)=C(O)C(N2CCO)=O,0.0
37725,CO-ADD:0292084,4.54,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(c(cccc3)c3n4C)c4)\C1=O)=O,0.0
37726,CO-ADD:0290718,4.54,n1(c2c(nn1)cc(Cl)cc2)S(=O)(=O)c3ccc(c(OC)c3)OC,0.0
37727,CO-ADD:0288950,4.54,n12c(c3c(Oc(cc4S(N)(=O)=O)c1cc4)cccc3)cc(CN(CC5)CCO5)n2,0.0
37728,CO-ADD:0299718,4.54,[N+](=O)([O-])c(cc(cc1C(NCCOc2cccc(C)c2)=O)C(NCCOc3cccc(C)c3)=O)c1,0.0
37729,CO-ADD:0299415,4.54,N1(c2ccc(cc2)Oc3ccccc3)C(=O)C(C4C1=O)CCCC4,0.0
37730,CO-ADD:0291638,4.54,n1(CC(O)CNc(cc2)ccc2OCC)c3c(c(cc(I)cc4)c14)cc(I)cc3,0.0
37731,CO-ADD:0299236,4.54,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3Cc(cc4)ccc4Cl)C1=O,0.0
37732,CO-ADD:0286133,4.54,n1(c2ccccc2)c(SCC(=O)NC(C)c3ccccc3)nnc1c4ccc(cc4)Cl,0.0
37733,CO-ADD:0286127,4.54,c1(C#N)c(c2ccc(cc2)C)cc(nc1N)C3CC3,0.0
37734,CO-ADD:0299239,4.54,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCC3(C(N)=O)N4CCCCC4)C1=O,0.0
37735,CO-ADD:0286840,4.54,C(/C(OCC)=O)=C(\NCCN1)/C1=O,0.0
37736,CO-ADD:0286122,4.54,[N+](=O)([O-])c(c(C)c1)cc(c1N2CCCCCC2)F,0.0
37737,CO-ADD:0286727,4.54,C(/SC(N1CC)=S)(\C1=O)=C(\Sc(c23)ccc(OC)c2)/N3C4CCCCC4,0.0
37738,CO-ADD:0288527,4.54,c1(c(cccn2)c2)ncc(C)n1C(CCCN3)C3.Cl.Cl.Cl,0.0
37739,CO-ADD:0285537,4.54,c1(c(C)[nH]n2)c2CC(C)(O)C(C(C)=O)C1c3ccc(cc3)C,0.0
37740,CO-ADD:0284978,4.54,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)OC)C3c5cccc(O)c5,0.0
37741,CO-ADD:0299599,4.54,c12c(ccc(C(C)NC)c1)OCCO2.Cl,0.0
37742,CO-ADD:0287311,4.54,c1(C(=O)Nc2ccccc2Cl)c3c(sc1NC(=O)c4ccccc4Cl)CC(C)CC3,0.0
37743,CO-ADD:0293767,4.54,N(CCS1)(C2=O)C1=NC(c3ccc(cc3)OC)=C2C#N,0.0
37744,CO-ADD:0292685,4.54,s1c(c(cc2)ccc2C(C)(C)C)nnc1NC(=O)C34CC(CC(C5)C3)CC5C4,0.0
37745,CO-ADD:0294954,4.54,s1c(c2ccccc2)nnc1NC(CSc3nc(C)cc(C)c3C#N)=O,0.0
37746,CO-ADD:0292585,4.54,N1(c2c(Cl)cc(cc2Cl)Cl)C(=O)\C(\C(C)=N1)=C/Nc3cccc(Cl)c3Cl,0.0
37747,CO-ADD:0295381,4.54,c(no[n+]1[O-])(c12)c3c(c4c2no[n+]4[O-])no[n+]3[O-],0.0
37748,CO-ADD:0296053,4.54,c12c(CCNC1c(cc3)ccc3N(C)C)cc(c(OC)c2)OC,0.0
37749,CO-ADD:0258893,4.54,C(CCC(O)=O)(=O)Nc1cccc(SC)c1,0.0
37750,CO-ADD:0260075,4.54,N1(C2c3ccccc3OC)C(S\C(=C\c(cc4)ccc4N(C)C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
37751,CO-ADD:0259756,4.54,c12c(nnc(SCC(N)=O)n1)c3c(cccc3)n2CCc4ccccc4,0.0
37752,CO-ADD:0259780,4.54,c1(SCC(=O)Nc(c2)cc(cc2C(F)(F)F)C(F)(F)F)[nH]c(c3n1)cccc3,0.0
37753,CO-ADD:0259405,4.54,c(Nc1cccc(Cl)c1)(nc(Nc2cccc(Cl)c2)nc3Nc4cccc(Cl)c4)n3.Cl,0.0
37754,CO-ADD:0278901,4.54,C(=C/c(ccc1c2ccccc2C(O)=O)o1)(/C(C)=NN3c4cccc(Cl)c4)\C3=O,0.0
37755,CO-ADD:0278917,4.54,N1(c2ccccc2)C(=O)CC(N3CC(C)CC(C)C3)C1=O,0.0
37756,CO-ADD:0278389,4.54,N1(CN2CCCCC2)N=C(SC1=S)SC,0.0
37757,CO-ADD:0284717,4.54,N1(C(c2ccc(cc2)Br)CC(c3ccc(cc3)C)=N1)C(=N)SC(CC(N4c5ccc(cc5)Cl)=O)C4=O,0.0
37758,CO-ADD:0284688,4.54,c1(SCc2ccc(c3c2cccc3)F)sc4c(ccc(c4)\N=C\c5cc(I)ccc5O)n1,0.0
37759,CO-ADD:0284873,4.53,N1(C(=O)c2ccccn2)C(O)(c3ccc(cc3)F)CC(C(F)(F)F)=N1,0.0
37760,CO-ADD:0283384,4.53,c1(sc2c(ccc(C)c2)n1)NC(=O)C(Cc(c3c([nH]4)cccc3)c4)NC(OCc5ccccc5)=O,0.0
37761,CO-ADD:0284096,4.53,c1(C(OCC)=O)c(cc(cc2)OC(C)=O)c2n(CCCCCCCCCC)c1CBr,0.0
37762,CO-ADD:0284104,4.53,c1(C(c2ccccc2)=O)c3c([nH]c1C(OCC)=O)ccc(O)c3,0.0
37763,CO-ADD:0283705,4.53,c1c(cccc1N)OCCCCCC,0.0
37764,CO-ADD:0283738,4.53,n12c(S\C(=C\c(ccc(c3OCC)OCc4ccccc4F)c3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
37765,CO-ADD:0278657,4.53,n1c(c2ccc(cc2)F)csc1c3scc(c4ccc(cc4)F)n3,0.0
37766,CO-ADD:0259001,4.53,C(=N\c1ccccc1C)(/S\C(\C2=O)=C\c(ccc(c3OCC)O)c3)\N2,0.0
37767,CO-ADD:0259017,4.53,C(O)(COc1ccccc1O)=O,0.0
37768,CO-ADD:0283519,4.53,C(=C/c(ccc(c1OC)OC)c1)(/C2=O)\C(=C(\C#N)/C#N)\c3c2cccc3,0.0
37769,CO-ADD:0277350,4.53,C(OCc1ccccc1)(C(OCC)=O)(C(F)(F)F)NC(=O)c(cccc2C(F)(F)F)c2,0.0
37770,CO-ADD:0277830,4.53,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc(c3Br)OCc4ccccc4C#N)c3)\N2C5CCCC5,0.0
37771,CO-ADD:0277783,4.53,c1(sc2c3c(C)cc(C)n2)c3N=C(C)NC1=O,0.0
37772,CO-ADD:0258086,4.53,C(C#N)(=C(c1ccc(cc1)Cl)N=C(N2CC=C)SCC=C)C2=O,0.0
37773,CO-ADD:0259545,4.53,C1(C(=O)OCc(cc2)ccc2C)=C(C)NC(NC1c3ccc(c(OC)c3)OCC)=O,0.0
37774,CO-ADD:0283113,4.53,C(/c1c(cccc1)CC23CCCC2)(\N3)=C(/C#N)\C#N,0.0
37775,CO-ADD:0284073,4.53,C(C(C)=O)(C(CCC)N1)=C(C)NC1=S,0.0
37776,CO-ADD:0259893,4.53,C12(SCC(=O)N1c3ccc(c(C)c3)Br)c4c(NC2=O)cccc4,0.0
37777,CO-ADD:0286462,4.53,c(c1c([nH]2)cccc1)(C3)c2CCN3C(=O)OCc4ccccc4,0.0
37778,CO-ADD:0286293,4.53,n1(c2c(nn1)cccc2)C(=O)c3cc(F)c(cc3Cl)F,0.0
37779,CO-ADD:0286662,4.53,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)SCc3ccccc3,0.0
37780,CO-ADD:0287409,4.53,N1(c2ccc(cc2)OCCC)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
37781,CO-ADD:0287505,4.53,N1(C(Cc2ccccc2)C(=O)N3C(C)(C)C=C(c(cc4C(c5ccccc5)(c6ccccc6)c7ccccc7)c3cc4)C)C(=O)c(c8C1=O)cccc8,0.0
37782,CO-ADD:0287698,4.53,N1(C(=O)\C=C\c2ccco2)C(C)(C)C=C(c(cc(cc3)OC(=O)\C=C\c4ccco4)c13)C,0.0
37783,CO-ADD:0292086,4.53,S(=O)(=O)(c1ccc(cc1)N=NN(C)C)NC(Cc2ccccc2)=O,0.0
37784,CO-ADD:0291990,4.53,S(=O)(=O)(c1ccc(cc1)C)Nc2ccc(cn2)Cl,0.0
37785,CO-ADD:0287584,4.53,c12c(c(cc(Oc(c3N4)cccc3C)c14)N5CCCCC5)C(c6c(cccc6)C2=O)=O,0.0
37786,CO-ADD:0287873,4.53,c12c(C(N(C)C(=O)N1C)=O)n(c(Br)n2)Cc3nnc(N)s3,0.0
37787,CO-ADD:0287481,4.53,C(=O)(c(cc1)ccc1C(C)(C)C)O\N=C(/N)\Cc(cc2)ccc2Cl,0.0
37788,CO-ADD:0287146,4.53,c(S(NCC=C)(=O)=O)(nn(c12)c(C)cc(C)n1)n2,0.0
37789,CO-ADD:0299625,4.53,N1(CCCC(=O)Nc(ccc(c2Cl)Cl)c2)C(=O)c(c3C1=O)cccc3,0.0
37790,CO-ADD:0288013,4.53,C(/C(C)=C1CC)(=C/c2c(C)c(c(C)[nH]2)CC)\N=C1C.Br,0.0
37791,CO-ADD:0288069,4.53,C(OC(C)=O)(C(OC(C)=O)C(COC(C)=O)OC(C)=O)C(=O)Nc1c(Cl)cc(cc1Cl)Cl,0.0
37792,CO-ADD:0286475,4.53,c1(c2ccccc2)c(c3ccccc3)nc(nn1)SCC(N)=O,0.0
37793,CO-ADD:0286924,4.53,n1nc(c2n1C\C(\C)=N\NC(Cc(cc3)ccc3[N+](=O)[O-])=O)cccc2,0.0
37794,CO-ADD:0285040,4.53,S1(=O)(=O)c(cccc2)c2C(NCC(O)COc3ccccc3)=N1,0.0
37795,CO-ADD:0285080,4.53,C(C(C)(O)CC(C1C(=O)OC(C)(C)C)=O)(C(=O)OC(C)(C)C)C1c2ccc(cc2)Br,0.0
37796,CO-ADD:0287954,4.53,N1(c2ccccc2)C(=O)C(CC1=O)Sc3nc(C)c(c(C)c3C#N)C,0.0
37797,CO-ADD:0286602,4.53,c1(nc(c(C(C)=O)s1)C)N2C(c3ccco3)CC(c4ccc(cc4)OC)=N2.Cl,0.0
37798,CO-ADD:0290641,4.53,N(=Nc(cc1)ccc1C(O)=O)N2CCCC2,0.0
37799,CO-ADD:0287792,4.53,c1(C2c3ccccc3Br)c(n[nH]c1C(C)(C)C)OC(N)=C2C#N,0.0
37800,CO-ADD:0285503,4.53,c1(SCC(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(CC)=O)n1,0.0
37801,CO-ADD:0299654,4.53,S(=O)(=O)(c1ccc(cc1)C)CCN(CC2)CCN2CCO.Cl.Cl,0.0
37802,CO-ADD:0299702,4.53,N1(Cc(cccn2)c2)C(=O)c(c3C1(O)Cc4ccccc4)cccc3,0.0
37803,CO-ADD:0295595,4.53,C(C(c1ccccc1)=O)(C2c3cccc(F)c3)=C(O)C(N2CCCC(O)=O)=O,0.0
37804,CO-ADD:0296143,4.52,c1(C(=O)N(CC2)CCO2)c(cc(cc1[N+](=O)[O-])SCC(OC)=O)[N+](=O)[O-],0.0
37805,CO-ADD:0293140,4.52,n1(Cc2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc(ccc(c5Cl)C)c5)c3)nnc1c6ccccc6,0.0
37806,CO-ADD:0292721,4.52,c1(Sc2ccc(cc2Cl)NC(=O)c3c(Cl)ccc(c3)[N+](=O)[O-])sc(c4n1)cccc4,0.0
37807,CO-ADD:0292716,4.52,C(/C1=O)(=C\c2ccccc2OCCCCC)\C(c3ccccc3)=NO1,0.0
37808,CO-ADD:0292928,4.52,n1(CC(O)=O)nnnc1N.Cl,0.0
37809,CO-ADD:0259758,4.52,c12c(nnc(SC(CC)C(=O)N(c3c4cccc3)c5c(S4)cccc5)n1)c6c(cccc6)n2CCC,0.0
37810,CO-ADD:0260086,4.52,n1c(c(cc2)ccc2C3CCCCC3)csc1Nc(cc4)ccc4Oc5ccccc5.Br,0.0
37811,CO-ADD:0259799,4.52,C1(C(OCCOC(C)C)=O)=C(C)NC(NC1c2cccc(c2)OCc3ccccc3)=O,0.0
37812,CO-ADD:0259943,4.52,C(=N\c(ccc(c1C)C)c1)(/SC(C2=O)CC(=O)Nc(cc3)ccc3C(O)=O)\N2C,0.0
37813,CO-ADD:0277548,4.52,C(=O)(C1CC=CCC1C(O)=O)Nc(c(OC)ccc2C(C)(C)C)c2,0.0
37814,CO-ADD:0257697,4.52,n1(nnc(COC)c1C(=O)NNC(=O)c2nn(cc2Br)C)c3nonc3N,0.0
37815,CO-ADD:0257690,4.52,N1(c2ccccc2OC(CCCCCC)=O)C(=O)C(C(C(c3c4cccc3)c(c56)cccc5)C1=O)C46,0.0
37816,CO-ADD:0257708,4.52,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(C(C)(C)C)s3)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
37817,CO-ADD:0284559,4.52,c1(C(O)c(cc(C(C)(C)C)c(c2C(C)(C)C)O)c2)n(CC)c3c(cccc3)n1,0.0
37818,CO-ADD:0257758,4.52,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(cc4)ccc4OCc5ccccc5C#N)\C1=O,0.0
37819,CO-ADD:0283833,4.52,N12C(S\C(=C\c(ccc(c34)OCO3)c4)\C1=O)=NC(C)=C(C(OCC)=O)C2c5ccc(C)o5,0.0
37820,CO-ADD:0258524,4.52,[N+](=O)([O-])c(cc(C)cc1c2ccc(\C=N\c(ccc(c34)cccc3)c4)o2)c1C,0.0
37821,CO-ADD:0258548,4.52,C(=C/c(ccc(c1OC)OCC(O)=O)c1)(/C2=O)\C(=O)c3c2cccc3,0.0
37822,CO-ADD:0283940,4.52,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(CSc4nnc(C)s4)=O)n1,0.0
37823,CO-ADD:0259062,4.52,[N+](=O)([O-])c1cccc(c1)N\N=C(\C#N)/C(=N)N2CCCCC2,0.0
37824,CO-ADD:0258560,4.52,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3N(C)C)nc(NCc4ccccc4)n1.Cl,0.0
37825,CO-ADD:0259114,4.52,C1(C(OCCC#N)=O)=C(C)NC(NC1c(cccc2[N+](=O)[O-])c2)=O,0.0
37826,CO-ADD:0278721,4.52,S1(=O)(=O)c(cccc2)c2C(=O)N1c3c(F)c(F)nc(F)c3F,0.0
37827,CO-ADD:0283364,4.52,c1(C(CCC(OC)=O)=O)oc(c2c1N)ccc(Cl)c2,0.0
37828,CO-ADD:0284667,4.52,c1(nonc1N)\C(\N)=N\OC(=O)c2ccc(cc2)F,0.0
37829,CO-ADD:0284693,4.52,n(CC(=O)Nc1ccccc1[N+](=O)[O-])(c(C)nn2)n2,0.0
37830,CO-ADD:0283941,4.52,c1(n[nH]cn1)C(=O)Nc(ccc(c23)cccc2)c3,0.0
37831,CO-ADD:0284766,4.52,C1(=NC2=O)C(=Cc(cccc3)c3N1c4cccc(Cl)c4)C(N2C)=O,0.0
37832,CO-ADD:0279198,4.52,C1(O)(C(F)(F)F)C2C(=NN1C(CCCc3ccccc3)=O)CCCCC2,0.0
37833,CO-ADD:0258097,4.52,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc5c6cc(Cl)ccc6Cl)o5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
37834,CO-ADD:0258121,4.52,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4cccc(C)c4)\N2,0.0
37835,CO-ADD:0258819,4.52,C12=C(SC(Cc(cccc3)c34)C4S1)SC(=S)S2,0.0
37836,CO-ADD:0258064,4.52,c1(N2CCCCC2)nc(N\N=C\c(ccc(c3OC)OCC(O)=O)c3)nc(Nc(cc4)ccc4F)n1,0.0
37837,CO-ADD:0258409,4.52,N(\C(=C/c1ccccc1OC(=O)c(cc2)ccc2[N+](=O)[O-])\C(O3)=O)=C3c4ccccc4,0.0
37838,CO-ADD:0258387,4.52,C(F)(F)(F)c(ccc(n1)N\N=C\c2ccc(cc2OC)OC)c1,0.0
37839,CO-ADD:0259886,4.52,C(CCC(OC(C)C)=O)(=O)Nc1cccc(F)c1,0.0
37840,CO-ADD:0259671,4.52,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CSc3nc(C)cc(C)c3C#N,0.0
37841,CO-ADD:0259719,4.52,c1(cc(ccc1N(CC2)CCN2C)[N+](=O)[O-])C(=O)Nc3cc(OC)cc(cccn4)c34,0.0
37842,CO-ADD:0287732,4.52,c1(OC(N)=C(C2c3cc(OC)c(cc3OC)OC)C#N)c2c(n[nH]1)CCC,0.0
37843,CO-ADD:0287756,4.52,c1(NC(=O)c2cc(ccc2N(CC3)CCN3C)[N+](=O)[O-])sc(c4c1C(OCC)=O)CCCC4,0.0
37844,CO-ADD:0286144,4.52,c1(N2CCC(CC2)C(N)=O)sc(c(c3ccccc3)n1)CCC,0.0
37845,CO-ADD:0286648,4.52,C(=N/c1ccccc1)(/S\C(\C2=O)=C\c(ccc3c(cc4)ccc4C(OCC)=O)o3)\N2C5CCCCC5,0.0
37846,CO-ADD:0288989,4.52,N1(OC)C(=O)c2c(Oc(nccn3)c13)cccc2,0.0
37847,CO-ADD:0288520,4.52,n(CC(CCCN1)C1)(c(C)cn2)c2COC.Cl.Cl,0.0
37848,CO-ADD:0288774,4.52,C12(CCN(CC1)C(=O)c3oc([N+](=O)[O-])cc3)CC(CCO2)Oc4ccncc4,0.0
37849,CO-ADD:0291157,4.52,C(=O)(O\N=C(/c1ccc(cc1)Cl)\NCc2ccccc2)c3cccs3,0.0
37850,CO-ADD:0291181,4.52,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc(ccc(c4C)C)c4)c1Cl,0.0
37851,CO-ADD:0290879,4.52,C1(=O)C(=O)c2c(cccc2)N1C\C=C\c3ccccc3,0.0
37852,CO-ADD:0290961,4.52,S(=O)(=O)(N1CCC(CC1)C)c2c(C)ccc(c2)[N+](=O)[O-],0.0
37853,CO-ADD:0290866,4.52,N1(C(=O)CCCl)c2c(cccc2)NC(=O)CC1c3ccccc3,0.0
37854,CO-ADD:0291195,4.52,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)N(C)CCc4ccccn4,0.0
37855,CO-ADD:0291436,4.51,C(=C(/CCCC1)\C1)(/C(OCC#C)=O)\NC(c2ccccc2)=O,0.0
37856,CO-ADD:0292140,4.51,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c3cc(OCO4)c4cc3[N+](=O)[O-],0.0
37857,CO-ADD:0287817,4.51,c(C(=O)c1ccc(cc1)OC)(sc(c23)nc(cc2c4ccccc4)c5cccs5)c3N,0.0
37858,CO-ADD:0285810,4.51,N1\C(=N/N=C/c(ccc2c3cccc(Cl)c3C)o2)\SCC1=O,0.0
37859,CO-ADD:0285860,4.51,N1(C(=O)\C=C\C)C(C)(C)C=C(c(cc(C)c(C)c2)c12)C,0.0
37860,CO-ADD:0285684,4.51,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)C(CC)Sc(nnc(c45)c6c(cccc6)[nH]4)n5,0.0
37861,CO-ADD:0287507,4.51,C1(C(c2ccc(cc2)F)OC34C(=O)c(c5C3=O)cccc5)(C4c6ccc(cc6)Cl)C(=O)c7c(cccc7)C1=O,0.0
37862,CO-ADD:0286386,4.51,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(cc5)ccc5N(C)C)cccc4,0.0
37863,CO-ADD:0291312,4.51,C(C=O)(C(=O)O1)=C(C)c(c12)cc3c(N(CCC4)CCC3)c24,0.0
37864,CO-ADD:0291270,4.51,C(=O)(NC(CCCC)C(O)=O)c1ccccc1C(OCC#C)=O,0.0
37865,CO-ADD:0299554,4.51,C(NC(CC)=O)(Nc1cccnc1Cl)(C(F)(F)F)C(F)(F)F,0.0
37866,CO-ADD:0285577,4.51,c1(c2cccc(c2)NCc(ccc(c34)OCO3)c4)sc(c5n1)cccc5,0.0
37867,CO-ADD:0285130,4.51,N(=C1SCC(=O)Nc2cccc(Cl)c2)C(=O)C(C(=O)N1)NC(C)=O,0.0
37868,CO-ADD:0285782,4.51,C12(O)C(O)(c3c(cccc3)C1=O)N(C(=O)N2)CC=C,0.0
37869,CO-ADD:0285122,4.51,c12c(nnc(SC)n1)c3c(cccc3)n2CCc4ccccc4,0.0
37870,CO-ADD:0299204,4.51,c1(OC(N)=C(C2c(cc3)cc(c3OC(=O)N(CC4)CCO4)OCC)C#N)c2c(n[nH]1)C,0.0
37871,CO-ADD:0286084,4.51,N1(c2ccc(cc2)Br)C(=O)CC(N3CCCCC3C)C1=O,0.0
37872,CO-ADD:0294039,4.51,S(NCCSc1sc2c(ccc(OCC)c2)n1)(=O)(=O)c(cccc3[N+](=O)[O-])c3,0.0
37873,CO-ADD:0295751,4.51,c(CNC(=O)c1cccc(Br)c1)(c2C)c(C)n(n2)C,0.0
37874,CO-ADD:0294844,4.51,c1(c(ccc(c1)[N+](=O)[O-])NN\C(\C(O)=O)=C\C(c2ccccc2)=O)[N+](=O)[O-],0.0
37875,CO-ADD:0294926,4.51,C(NCCCCCCNC(=O)OC1CCCCC1)(=O)OC2CCCCC2,0.0
37876,CO-ADD:0293130,4.51,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCOc3cccc(OC)c3)c1C,0.0
37877,CO-ADD:0259976,4.51,C(=C(/C)\NNC(=O)c1cccc(C)c1)/C(=O)c2ccc(cc2)OC,0.0
37878,CO-ADD:0260067,4.51,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(c(cccc5)c5n6CC=C)c6)\C1=O)=NC(C)=C2C(OCC)=O,0.0
37879,CO-ADD:0259957,4.51,C1(=NC(=O)NC2=O)C2=Cc(cccc3)c3N1c4cccc(Br)c4,0.0
37880,CO-ADD:0284682,4.51,C1(C2c(cc3)ccc3C(OC)=O)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC4=O)=C24,0.0
37881,CO-ADD:0278090,4.51,c1(SCC(NCCCC)=O)sc2c(ccc(c2)NC(=O)Cc3cccc(cccc4)c34)n1,0.0
37882,CO-ADD:0283677,4.51,N1(c2ccc(c3c2)OCO3)C(=O)C(C(C1=O)C(C)(c(c45)cccc4)c6c7cccc6)C57C,0.0
37883,CO-ADD:0284569,4.51,c1(C(O)c(ccc(c23)OCO2)c3)n(CCC)c4c(cccc4)n1,0.0
37884,CO-ADD:0277431,4.51,C(C1)(c2cc(C)ccc2O)=Nc3c(N=C1C(F)(F)F)cccc3,0.0
37885,CO-ADD:0278863,4.51,N(C(C)(C)Cc(c12)cc(c(C)c1)C)=C2C.Cl,0.0
37886,CO-ADD:0278715,4.51,C(/C#N)(=C/c(ccc(c1Br)OCc2ccccc2)c1)\C(=O)Nc(cc3)ccc3OC,0.0
37887,CO-ADD:0283501,4.51,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cc5)ccc5N(C)C)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
37888,CO-ADD:0283541,4.51,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4ccc(cc4OC)OC,0.0
37889,CO-ADD:0258482,4.51,c1(nnc(\C=C\c2ccccc2)s1)NC(=O)c3cccc(C)c3,0.0
37890,CO-ADD:0259099,4.51,c1(scc(C)n1)NC(=O)C(Cc2ccccc2)NC(OCc3ccccc3)=O,0.0
37891,CO-ADD:0258347,4.51,n1(CC=C)c(SCc2ccccn2)nnc1c3ccc(cc3)OCCCCCCCCCC,0.0
37892,CO-ADD:0258515,4.51,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCN3C)Nc(cccc4C(F)(F)F)c4.Cl,0.0
37893,CO-ADD:0258619,4.51,C1(C(=O)OC(C)C)=C(C)NC(=O)NC1c2ccc(cc2)C,0.0
37894,CO-ADD:0258635,4.51,C(=C\c(ccc1Br)o1)(/C2=O)\Sc(c23)cccc3,0.0
37895,CO-ADD:0284774,4.51,c12c(c(cc(Oc(c3N4)cccc3)c14)N5CCCCC5)C(c(cccc6)c6C2=O)=O,0.0
37896,CO-ADD:0284654,4.51,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cc(OCC)c(cc4Br)O,0.0
37897,CO-ADD:0283894,4.51,N1(CN(CC2C)CC(O2)C)N=C(OC1=S)c3ccc(cc3)C,0.0
37898,CO-ADD:0283902,4.51,C(=C\c(cc1OC)cc(c1OC(C)=O)OC)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
37899,CO-ADD:0284905,4.51,S(c1ccccc1)(=O)(=O)N(CC2)C(CCCC3)C3C2(O)c4ccccc4,0.0
37900,CO-ADD:0284713,4.51,N1(C(c2ccc(cc2)Br)CC(c3ccc(cc3)C)=N1)C(=N)SC(CC(N4c5cccc(Cl)c5)=O)C4=O,0.0
37901,CO-ADD:0279195,4.51,N1(c2ccc(cc2)F)C(=O)CC(N(CCc3ccccc3)C(CC)=O)C1=O,0.0
37902,CO-ADD:0259674,4.51,n(c1c(n2)cccc1)(C(c(cc3)ccc3[N+](=O)[O-])=NC(C4=P(c5ccccc5)(c6ccccc6)c7ccccc7)=S)c24,0.0
37903,CO-ADD:0259029,4.51,[n+]1(ccccc1)CC(Br)C(O)=O.[Br-],0.0
37904,CO-ADD:0278538,4.51,c1(C(=O)OCc2ccccc2)c(C)c(c(C=O)[nH]1)CC,0.0
37905,CO-ADD:0278013,4.51,n1(c2C)c(c(cn1)C#N)ncc2C(OCC)=O,0.0
37906,CO-ADD:0284835,4.51,c12c(ccc(c1)[N+](=O)[O-])O\C(=C\C3(CCCCC3)O)\C2N(CC4)CCO4,0.0
37907,CO-ADD:0277432,4.51,c1(C(=O)NNC(=O)c2ccc(cc2)Br)nn(cc1Cl)C,0.0
37908,CO-ADD:0277913,4.51,N1(C(=O)CSc2nnc[nH]2)c3c(cccc3)C(=CC1(C)C)C,0.0
37909,CO-ADD:0287789,4.51,c1(OC(N)=C(C2c3cccc(OC)c3OC)C#N)c2c([nH]n1)CCC,0.0
37910,CO-ADD:0289050,4.51,N1(CC)CCC(CC1)CC(O)=O,0.0
37911,CO-ADD:0288708,4.51,C(N)Cn(c(cn1)C)c1COC,0.0
37912,CO-ADD:0288621,4.51,C(OC(C)(C)C)(NCCn1c(C)cnc1C2CCOCC2)=O,0.0
37913,CO-ADD:0288688,4.5,C(N(CCCC1c(n2Cc3cc(OC)c(OC)cc3)ncc2C)C1)(=O)OC(C)(C)C,0.0
37914,CO-ADD:0289094,4.5,n(c1cc(C)cc(C)c1)(nc(n2)CC)c2CCC(O)=O,0.0
37915,CO-ADD:0288798,4.5,c(C1CC1)(n2)nnc(c2)C,0.0
37916,CO-ADD:0289107,4.5,c1(C(=O)Nc2ccc(cc2F)F)sc(nn1)CCC(O)=O,0.0
37917,CO-ADD:0288918,4.5,n12c(cc(CC)n1)c3c(Oc4c2ccc(c4)[N+](=O)[O-])cccc3,0.0
37918,CO-ADD:0289176,4.5,c1(C(=O)Nc(cc2)ccc2F)sc(nn1)CCC(OC)=O,0.0
37919,CO-ADD:0288535,4.5,n(C(CCCN1)C1)(c(C)cn2)c2C.Cl.Cl,0.0
37920,CO-ADD:0288567,4.5,C1C(c2ncc(C)n2Cc3ccc(F)cc3)CN(C(OC(C)(C)C)=O)C1,0.0
37921,CO-ADD:0291294,4.5,C1(Nc(cccc2C(F)(F)F)c2)(C(OC)=O)N(c3ccc(cc3)OCC)C(C(OC)=C1C(c4ccccc4)=O)=O,0.0
37922,CO-ADD:0291318,4.5,n1c(c2ccc(cc2)OC)[nH]c(c3ccccc3)c1c(ccc(c45)c(c(c6)s4)ccc6c([nH]c(n7)c8ccc(cc8)OC)c7c9ccccc9)c5,0.0
37923,CO-ADD:0290682,4.5,C(O)(=O)CCSc1ccccc1,0.0
37924,CO-ADD:0290522,4.5,N(c1ccc(cc1)CC)(C(c(cc2)ccc2C(C)(C)C)C=C3Nc(cc4)ccc4CC)C3=O,0.0
37925,CO-ADD:0285143,4.5,N1(c2ccccc2F)C(=O)C(CC1=O)S\C(\NCC)=N\c(ccc(c34)OCO3)c4,0.0
37926,CO-ADD:0285144,4.5,N1(c2ccc(cc2)I)C(=O)C(CC1=O)S\C(\NC)=N\c(ccc(c34)OCO3)c4,0.0
37927,CO-ADD:0284965,4.5,C(C(=O)OCc1ccccc1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)OC)C3c5ccc(c(Br)c5)OC,0.0
37928,CO-ADD:0285653,4.5,c1(cc(cc(Sc(cc2)ccc2C(C)(C)C)c1C(N)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
37929,CO-ADD:0285279,4.5,c1(NC(=O)c2cccs2)sc(c3c1C(N)=O)CCCC3,0.0
37930,CO-ADD:0285287,4.5,N1(CNc(cccc2C(F)(F)F)c2)C(=S)OC(c3ccc(cc3Cl)Cl)=N1,0.0
37931,CO-ADD:0285311,4.5,C1(O)(CC(=NN1C(CCc2ccccc2)=O)CCCC)C(F)(F)F,0.0
37932,CO-ADD:0285657,4.5,C(N)(SCCSCCSC(N)=N)=N.Cl.Cl,0.0
37933,CO-ADD:0285566,4.5,c(cc1)ccc1N(C(C(O)c2ccccc2)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5)C3=S,0.0
37934,CO-ADD:0285044,4.5,c1(C(OCC)=O)c(CC2)c(sc1N)CN2C(OCC)=O,0.0
37935,CO-ADD:0285084,4.5,c1(C#N)c2c(sc1\N=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3)CCC2,0.0
37936,CO-ADD:0286870,4.5,n1(c2ccccc2)c(COc3ccccc3)nnc1SCC(=O)Nc(ccc(c4s5)nc5SCC(=O)Nc(cc6)ccc6C(OC)=O)c4,0.0
37937,CO-ADD:0291655,4.5,N(C(COc(cc1)ccc1Cl)=O)c2ncccn2,0.0
37938,CO-ADD:0291737,4.5,c12c(n(c(SCCCCCCCCCCCC)n1)CCOC)C(NC(=O)N2C)=O,0.0
37939,CO-ADD:0290979,4.5,c(c1c2cccc1)(C(=O)OCC(c3ccccc3)=O)cc(n2)c4ccccc4,0.0
37940,CO-ADD:0290650,4.5,C(=S(/C)\C)(/C(OC)=O)\C(OC)=O,0.0
37941,CO-ADD:0294824,4.5,c1(cc(Cl)ccc1N(CC2)CCN2C(=O)c3ccc(cc3)Cl)[N+](=O)[O-],0.0
37942,CO-ADD:0292842,4.5,S(=O)(=O)(Nc(cc1)ccc1C(O)=O)c2cccc(nsn3)c23,0.0
37943,CO-ADD:0294560,4.5,c(Nc1ccccc1OC)(nc(ccc(c2)Br)c2c3c4ccccc4)n3,0.0
37944,CO-ADD:0292777,4.5,C(/S\C(\C1=O)=C/c(ccc2c3ccc(cc3)Cl)o2)(=N\C(C)=O)\N1,0.0
37945,CO-ADD:0294846,4.5,c1(ccc(C)o1)C(=O)Nc(cc2)ccc2N(C)C,0.0
37946,CO-ADD:0295669,4.5,N1(CC)C(C)(C)C=C(c(cc(CNc(cc2)ccc2F)cc3)c13)C,0.0
37947,CO-ADD:0292742,4.5,N(C(C)=O)(C(=O)CCN1C(C)=O)c2c1cccc2,0.0
37948,CO-ADD:0283277,4.5,C(C#N)(\C(=C(\C#N)/C#N)\NC(=C1C#N)N)=C1c2ccccc2I,0.0
37949,CO-ADD:0259161,4.5,C(=N/c1ccccc1)(/SC=C2c3ccc(cc3)C)\N2CCCO.Br,0.0
37950,CO-ADD:0259217,4.49,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccccc2,0.0
37951,CO-ADD:0258833,4.49,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C\c(ccc(c3Cn(c(C)c(c4[N+](=O)[O-])Cl)n4)OC)c3)c5nonc5N,0.0
37952,CO-ADD:0258866,4.49,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(C)=O,0.0
37953,CO-ADD:0258779,4.49,c12c(cccc1[N+](=O)[O-])C(N(CCCCCCCCCCCCCCCC)C2=O)=O,0.0
37954,CO-ADD:0278855,4.49,c1(NC(CSc2nncn2C)=O)sc(c3c1C#N)CC(CC3)C,0.0
37955,CO-ADD:0283455,4.49,N(/OC(c1ccccc1)=O)=C(\c(cc2)ccn2)/c3ccccc3,0.0
37956,CO-ADD:0284751,4.49,c12c(nnc(SCC(=O)N(c3c4cccc3)c5c(S4)cccc5)n1)c(c6n2C(C)C)cccc6,0.0
37957,CO-ADD:0283943,4.49,n1(C)cnnc1SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc4ccccc4OC)c2,0.0
37958,CO-ADD:0283905,4.49,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C\c(cc3)cc(c3N(C)C)Br,0.0
37959,CO-ADD:0284443,4.49,c1(C(c2ccccc2)=O)oc3c(c(COC)cc(C)n3)c1N,0.0
37960,CO-ADD:0258300,4.49,c1(c2cccc(cccc3)c23)[nH]c(c(c4ccc(cc4)Oc5ccccc5)n1)c6ccccc6,0.0
37961,CO-ADD:0259117,4.49,c(C#N)(c(\C(\C#N)=C\c1cccc(Cl)c1)nn2c3ccccc3)c2N,0.0
37962,CO-ADD:0284851,4.49,N1(C(=O)Cc(ccc(c2OC)OC)c2)N=C(CC1(O)c(cccn3)c3)C,0.0
37963,CO-ADD:0283852,4.49,C(=C/c(cc1)ccc1N(CC)CC)(/C2=O)\C(=C(\C#N)/C#N)\c3c2cccc3,0.0
37964,CO-ADD:0284869,4.49,c1(C(=O)N(C)C)c2c(sc1NC(=O)c3ccc(cc3)C)CCCCC2,0.0
37965,CO-ADD:0283909,4.49,C(=O)(Nc(cc1)ccc1OCCCCC)C(=O)NCC(C)O,0.0
37966,CO-ADD:0278608,4.49,S(=O)(=O)(N(CC)CC)c(cc1)ccc1C2=CS\C(=N/c(cccc3C(F)(F)F)c3)\N2Cc(ccc(c45)OCO4)c5.Br,0.0
37968,CO-ADD:0278601,4.49,[N+](=O)([O-])c(cccc1C(=O)Oc(c(Br)c2)c(Br)cc2C(=S)N(CC3)CCO3)c1,0.0
37969,CO-ADD:0283964,4.49,C(C(OCCSCC)=O)(C1c2ccc(cc2)OCC)=C(C)NC(CCCC3=O)=C13,0.0
37970,CO-ADD:0284829,4.49,C(=N\N=C(/C)\c1cccs1)(/SC(C(O)=O)CC2=O)\N2,0.0
37971,CO-ADD:0277858,4.49,C1(C#N)=C(c(cc2)ccc2N(C)C)C=C(C)NC1=S,0.0
37972,CO-ADD:0259842,4.49,N1(c2cccc(OC)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4O,0.0
37973,CO-ADD:0259890,4.49,N12c(c(C3C(CC=C3)C1)c4)c(C5C(CC=C5)C2)cc4C(=O)Nc6ccccc6C,0.0
37974,CO-ADD:0257253,4.49,n1(cc(cn1)Cl)C(=O)c2ccccc2Cl,0.0
37975,CO-ADD:0257206,4.49,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Cl)c4sc(c5c4C(OC)=O)CCCCC5,0.0
37976,CO-ADD:0259471,4.49,C(C(=O)c1ccc(cc1)F)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2c4ccc(cc4)OC)=O,0.0
37977,CO-ADD:0259319,4.49,C1(=O)Oc2c(C(C)=C1CCCC)ccc(OCC=C)c2,0.0
37978,CO-ADD:0258108,4.49,C(=N\C1CCCCC1)(/SC(C2=O)CC(=O)Nc3cccc(C)c3)\N2,0.0
37979,CO-ADD:0257571,4.49,c1(cc(Cl)ccc1O)C(=O)NNC(=O)c2ccccc2C,0.0
37980,CO-ADD:0290564,4.49,c1(n(ccn2)c2)nc(Cl)nc(N3CCCCC3)n1,0.0
37981,CO-ADD:0288927,4.49,n12c(c(cn1)C)c3c(Oc(cc4[N+](=O)[O-])c2nc4)cccc3,0.0
37982,CO-ADD:0300067,4.49,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(cc(OCO3)c3c4)c4Cl)\C1=O)=O,0.0
37983,CO-ADD:0300083,4.49,c1(N2CCCCCC2)nc(Cl)cc(N3CCCCCC3)n1,0.0
37984,CO-ADD:0299860,4.49,N1(C(=O)CCC1=O)CN(CCCO[N+](=O)[O-])[N+](=O)[O-],0.0
37985,CO-ADD:0299884,4.49,c1(nccc(cc(c(OC)c2)OC)c12)C(=O)c3ccc(c(OC)c3)OC,0.0
37986,CO-ADD:0285161,4.49,C1(=NC(=O)C(=N2)C)N2c3c(cccc3)N1CC(OCC)=O,0.0
37987,CO-ADD:0285138,4.49,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(cc3)ccc3SC)\C1=O)C,0.0
37988,CO-ADD:0285218,4.49,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(CC1=O)SCC(N)C(OCC)=O.Cl,0.0
37989,CO-ADD:0287479,4.49,C(=O)(c1ccc(cc1)OC)O\N=C(/N)\Cc(cc2)ccc2Cl,0.0
37990,CO-ADD:0285140,4.49,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc(c5[N+](=O)[O-])N6CCC(CC6)Cc7ccccc7)c5,0.0
37991,CO-ADD:0285234,4.49,C(=O)(N(CC1)CCN1c(cc2)c(Cl)cc2[N+](=O)[O-])c3ccccc3Cl,0.0
37992,CO-ADD:0284970,4.49,C(C(OCCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4cc5c(cc4Br)OCO5,0.0
37993,CO-ADD:0286244,4.49,c1(O2)c(c([nH]n1)C)C(C(C#N)=C2N)C(CC)CC,0.0
37994,CO-ADD:0286245,4.49,c(C(=O)c1ccc(cc1)C)(sc(c23)nc(c(C#N)c2c4ccc(c(OC)c4)OC)N)c3N,0.0
37995,CO-ADD:0288049,4.49,C(/C(=O)NCc1ccco1)(\NC(=O)c(ccs2)c2)=C/c3ccco3,0.0
37996,CO-ADD:0286165,4.49,N1(c2ccc(cc2)C)C(c3cccc(c3)OCc4c(cccc4Cl)Cl)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
37997,CO-ADD:0285261,4.49,c1(C(=O)c2ccc(cc2)Cl)c(N)c(c3s1)ccc(CCCC)n3,0.0
37998,CO-ADD:0286409,4.49,c1(c2ccccc2)nc(oc1c3ccccc3)SCC(C)=O,0.0
37999,CO-ADD:0286404,4.49,C(O)(c1ccccc1)(c2ccccc2)C(=O)NCc(cc3)ccn3,0.0
38000,CO-ADD:0286316,4.48,c1(NC(=O)c2ccccc2Cl)sc(c3c1C(NCCC)=O)CC(CC3)C,0.0
38001,CO-ADD:0286681,4.48,N1(c2ccccc2Oc(cc3)ccc3C#N)C(=O)C(C(C4)C1=O)CC=C4,0.0
38002,CO-ADD:0294330,4.48,C1(=COc(c2C1=O)cccc2)C3Nc4c(NC(CC(C)(C)CC5=O)=C35)cc(C)c(C)c4,0.0
38003,CO-ADD:0294263,4.48,c1(cc(C)ccc1C(C)C)OC(C)C(=O)Nc2ccc(cc2C)I.Cl,0.0
38004,CO-ADD:0294365,4.48,C1(c2ccc(cc2C)NC(Cc3ccccc3)=O)=Cc4c(OC1=O)cccc4,0.0
38005,CO-ADD:0294373,4.48,c1(c(cccc2NC(=O)c3cc(c4o3)cccc4)c2)[nH]c(c5n1)cccc5,0.0
38006,CO-ADD:0293645,4.48,[N+](=O)([O-])NC(=N)N\N=C(/C)\C,0.0
38007,CO-ADD:0294817,4.48,C1(=C2)C(c3c(cccc3)C2=N)=Nc(ccc(N(CC)CC)c4)c4O1.Cl,0.0
38008,CO-ADD:0292705,4.48,c1(Sc2ccc(cc2Cl)NC(=O)c3ccc(cc3)Cl)sc(c4n1)cccc4,0.0
38009,CO-ADD:0295487,4.48,N(CCCCC)CC1CCCCC1.Cl,0.0
38010,CO-ADD:0296085,4.48,N(c1c(C)cc(nc1Cl)C)(S(=O)(=O)c2ccc(cc2)C)S(=O)(=O)c3ccc(cc3)C,0.0
38011,CO-ADD:0293522,4.48,C(F)(F)(F)c(cccc1N(CC2)CCN2C(=O)COc3ccc(cc3C)C)c1,0.0
38012,CO-ADD:0293412,4.48,n1(Cc2ccccc2F)c3c(nc1SCc4cccc(Cl)c4)cc(C)c(C)c3,0.0
38013,CO-ADD:0294720,4.48,C1(C(c2c3cccc2)c4c(O3)cccc4)=C(C)N(N(c5ccccc5)C1=O)C,0.0
38014,CO-ADD:0258835,4.48,c1(\N=C\c(ccc(c2)N(CC)CC)c2O)sc(c3c1C(OCC)=O)CCC3,0.0
38015,CO-ADD:0258716,4.48,C1(C2=O)C(C(N2c3ccccc3)=O)N(N=C1C(OCC)=O)c4ccc(cc4)OC,0.0
38016,CO-ADD:0277932,4.48,n(nc(c12)CN(CC1)C)n2c3ccccc3.Cl,0.0
38017,CO-ADD:0258797,4.48,n1(cccn1)C(=O)c2ccc(c(Cl)c2)Cl,0.0
38018,CO-ADD:0259189,4.48,N1(c2ccccc2)C(C(SC1=S)(C)C)\[N+](\[O-])=C\c3c(cccc3F)Cl,0.0
38019,CO-ADD:0258829,4.48,C(=C/c(ccc(c1)N(CC)CC)c1O)(/C(=O)NC(N2)=O)\C2=O,0.0
38020,CO-ADD:0283021,4.48,n(c1C)(nnc1C(=O)N2CCCC2)c3nonc3N,0.0
38021,CO-ADD:0278479,4.48,c1(C2c3ccccc3)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
38022,CO-ADD:0278529,4.48,c1(C(OCC)=O)[nH]c(c(C(C)=O)c1C)CCl,0.0
38023,CO-ADD:0283090,4.48,c1(c2c3c(cccc3)c(c(cccc4)c24)Cl)[nH]c(c(c5ccc(cc5)OC)n1)c6ccc(cc6)OC,0.0
38024,CO-ADD:0283427,4.48,C(=C\c1ccccc1OCc2ccccc2F)(/C(=O)NC(N3)=O)\C3=O,0.0
38025,CO-ADD:0283430,4.48,C(=C\c1ccccc1OCc2ccccc2F)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
38026,CO-ADD:0283823,4.48,N1(C(=O)c(cc2)ccc2[N+](=O)[O-])c3c([C@]([H])(CN(C)CC4)[C@]14[H])cc(C)cc3.Cl,0.0
38027,CO-ADD:0258350,4.48,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c(ccc(c2OC)OCc3ccccc3F)c2,0.0
38028,CO-ADD:0258638,4.48,C(=C\c(cc1)ccc1Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])(/C3=O)\Sc(c34)cccc4,0.0
38029,CO-ADD:0259055,4.48,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c(cc2)ccn2,0.0
38030,CO-ADD:0258551,4.48,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5)OCC(O)=O,0.0
38031,CO-ADD:0259064,4.48,C(=N)(N(CC1)CCO1)\C(\C#N)=N\Nc(cc2)ccc2OC,0.0
38032,CO-ADD:0277956,4.48,n1(nnc(C(=O)N\N=C(/c2c3cccc2)\c4c3cccc4)c1CN(CC5)CCO5)c6nonc6N,0.0
38033,CO-ADD:0278133,4.48,c1(NC(CSc2nnc(C)s2)=O)sc(c3c1C#N)CCC3,0.0
38034,CO-ADD:0277694,4.48,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)NNC(c(cc2)ccn2)=O,0.0
38035,CO-ADD:0277910,4.47,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc(cccn4)c4)c1Br,0.0
38036,CO-ADD:0277695,4.47,c(OC(=O)C=C1C)(c2C)c1cc3c2occ3c4ccccc4,0.0
38037,CO-ADD:0277911,4.47,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc4cccc(O)c4)c1Br,0.0
38038,CO-ADD:0257878,4.47,S(=O)(=O)(c1c(Br)ccc(Cl)c1)n2ccnc2CC,0.0
38039,CO-ADD:0258094,4.47,N1C(=O)\C(\SC1=S)=C/c(ccc(c2Br)OCc3cccc(cccc4)c34)c2,0.0
38040,CO-ADD:0258971,4.47,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)ccc5C(C)C,0.0
38041,CO-ADD:0258136,4.47,N1C(=O)\C(\SC1=N)=C/c2ccccc2Sc(cc3)ccc3Cl,0.0
38042,CO-ADD:0278710,4.47,C(=O)(N\N=C\c(cc1)ccc1OCCCC)C(NCCCC)=O,0.0
38043,CO-ADD:0258678,4.47,C(=O)(NC(C)c1ccccc1)C(=O)NCC(CC2)CCN2,0.0
38044,CO-ADD:0284241,4.47,S(OCCOc1ccccc1P(c2ccccc2)(c3ccccc3)=O)(=O)(=O)c4ccc(cc4)C,0.0
38045,CO-ADD:0278157,4.47,c1(NC(CSc(nnc(c23)c4c(cccc4)n2CCC)n3)=O)n(c5ccccc5)ncc1C(OCC)=O,0.0
38046,CO-ADD:0257642,4.47,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccc(cc4C)O,0.0
38047,CO-ADD:0300904,4.47,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(=O)c4ccccc4OC,0.0
38048,CO-ADD:0301120,4.47,C(=N)(NNc1ccccc1)C(N)=O,0.0
38049,CO-ADD:0300280,4.47,N1(c2cccc(OC)c2)C(=O)\C(=C\c3ccc(C)s3)\C(NC1=S)=O,0.0
38050,CO-ADD:0300440,4.47,N1(c2ccc(cc2)Cl)C(=O)C(N(Cc(cccn3)c3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
38051,CO-ADD:0300737,4.47,n1(CC(=O)NC(C)(C)C)cncc1c(cc2)ccc2[N+](=O)[O-],0.0
38052,CO-ADD:0300954,4.47,S(NCCOc(cc1)ccc1Cl)(=O)(=O)c2c(OC)cc(c(OC)c2)Cl,0.0
38053,CO-ADD:0300498,4.47,c1(N=NC(=O)C(C)(C)O)c2c([nH]c1O)ccc(Br)c2,0.0
38054,CO-ADD:0300369,4.47,n1(c(cc2)ccc2C(N)=O)nnnc1SCC(=O)Nc3c(CC)cccc3C,0.0
38055,CO-ADD:0305002,4.47,N1[C@@H](c2cccc(cccc3)c23)[C@@]([H])(CC=C4)[C@@]4(c5c1c(OC)ccc5Cl)[H],0.0
38056,CO-ADD:0305018,4.47,n(C(c1ccc(cc1)Br)C=C(N2)c3ccc(cc3)Br)(nnn4)c24,0.0
38057,CO-ADD:0300434,4.47,N1(c(cccc2C(F)(F)F)c2)C(=O)C(N(Cc3cccs3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
38058,CO-ADD:0304706,4.47,n1c(CO)[nH]nc1Cl,0.0
38059,CO-ADD:0305122,4.47,N1(CC)C(=O)\C(\SC1=S)=C\C=C(\Sc(c23)cccc2)/N3CCC,0.0
38060,CO-ADD:0304600,4.47,c1(cc(ccc1OC)C=O)OCc2ccccc2Br,0.0
38061,CO-ADD:0304993,4.47,C(C(c1ccccc1)=O)(C2c3ccc(cc3)I)=C(O)C(N2C)=O,0.0
38062,CO-ADD:0300667,4.47,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2ccc(cc2OC)OC,0.0
38063,CO-ADD:0305266,4.47,c12c(n(c(N\N=C\c3cccc(OC)c3OC)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
38064,CO-ADD:0300688,4.47,c1(C2c3ccc(cc3)OC(=O)c4ccco4)c([nH]nc1c(cccc5[N+](=O)[O-])c5)OC(N)=C2C#N,0.0
38065,CO-ADD:0304855,4.47,c12c(n(c(N\N=C\c(cc3)ccc3[N+](=O)[O-])n1)CCO)C(N(C)C(=O)N2C)=O,0.0
38066,CO-ADD:0304731,4.47,C1(=O)OCc(ccc(c2)NC(c(cc3)ccn3)=O)c12.Cl,0.0
38067,CO-ADD:0304739,4.47,c1(n(C)c2c(cccc2)n1)c3nonc3NC(CCl)=O,0.0
38068,CO-ADD:0304779,4.47,c1(C(=O)Nc2ccccc2C(F)(F)F)c(CCC(C3)C(C)(C)C)c3sc1NC(COc4ccccc4C)=O,0.0
38069,CO-ADD:0305259,4.47,C1(CCCCC1)(N(c2ccccc2)C(=O)CNC(c3ccccc3)=O)C(=O)Nc4ccccc4,0.0
38070,CO-ADD:0300401,4.47,c1(c2c(sc1NC(COc3ccccc3C)=O)CCCC2)C(=O)Nc4cccc(cccc5)c45,0.0
38071,CO-ADD:0305378,4.47,C1(=NNC(=S)S1)NC(=O)c2ccccc2C(O)=O,0.0
38072,CO-ADD:0300507,4.47,c12c(CCNC1c3ccc(cc3C)C)cc(c(OC)c2)OC,0.0
38073,CO-ADD:0304950,4.47,N1(c2ccccc2)C(=O)\C(\SC1=S)=C\c3ccccc3[N+](=O)[O-],0.0
38074,CO-ADD:0305319,4.46,n1c2c(cccc2)c(cc1Nc(ccc(c3Cl)C)c3)C,0.0
38075,CO-ADD:0302539,4.46,C1(C(=O)OC(C)C)=C(C)NC(=O)CC1c2c(cccc2F)Cl,0.0
38076,CO-ADD:0304242,4.46,S(=O)(=O)(c1ccc(cc1)SC)Nc2c(C)cc(cc2C)OCC(=O)N(CC3)CCO3,0.0
38077,CO-ADD:0302707,4.46,c(c1c2ccccc2)(C3c4ccc(cc4)OCCC)c([nH]n1)OC(N)=C3C#N,0.0
38078,CO-ADD:0301665,4.46,c12c(c(nn1c3ccccc3)C)cc(C(O)=O)s2,0.0
38079,CO-ADD:0303484,4.46,C1(CCC(CC1)C)(N(Cc2ccccc2)C(=O)CSc3sc(c4n3)cccc4)C(=O)Nc5c(C)cccc5C,0.0
38080,CO-ADD:0304732,4.46,C1(=O)OCc(ccc(c2)NC(C3CCCCC3)=O)c12,0.0
38081,CO-ADD:0304756,4.46,c(C(O)=O)(c1)c2c(nc1c3cccc(F)c3F)ccc(cccc4)c24,0.0
38082,CO-ADD:0305260,4.46,C(=O)(NC(c1ccc(cc1)Cl)c2ccccc2Cl)C3(CCCC3)N(c4ccc(cc4)OC)C(=O)CSc5[nH]ncn5,0.0
38083,CO-ADD:0304656,4.46,N1C(=O)C(SC1c(ccc(c2Cl)Cl)c2)C,0.0
38084,CO-ADD:0304423,4.46,N1(CC=C)C(=S)NN=C1c2ccoc2,0.0
38085,CO-ADD:0304503,4.46,c1(cccc(nsn2)c12)S(NCCC(O)=O)(=O)=O,0.0
38086,CO-ADD:0305219,4.46,n(CCC1=CCCCC1)(c2c(c3C(OC)=O)cc(O)c(cccc4)c24)c3C,0.0
38087,CO-ADD:0305228,4.46,C1(C2c3ccc(c(OCC)c3)OCc4ccccc4)=C(CC(C)(C)CC1=O)N(C(CC(C)(C)CC5=O)=C25)C,0.0
38088,CO-ADD:0295093,4.46,c1(N(CC2)CCN2CC(=O)Nc3cccc(OC)c3)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
38089,CO-ADD:0295045,4.46,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1Cn(cnn4)n4,0.0
38090,CO-ADD:0293751,4.46,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5cc(OC)ccc5OC)cccc4,0.0
38091,CO-ADD:0294272,4.46,c1(OC(N)=C(C2c(cc(OC)c(c3[N+](=O)[O-])O)c3)C#N)c2c(n[nH]1)C,0.0
38092,CO-ADD:0293325,4.46,C1(OC(C)=O)C(OC(C)=O)C(COC(c2ccccc2)(c3ccccc3)c4ccccc4)OC(OC)C1OC(C)=O,0.0
38093,CO-ADD:0292966,4.46,c1(SC(C)C(O)=O)sc(c2n1)cccc2,0.0
38094,CO-ADD:0293829,4.46,c1(SCC)nc(c2n1CC(=O)Nc3ccccc3CC)cccc2,0.0
38095,CO-ADD:0294870,4.46,N1(c2ccccc2OC)C(=O)NC(\C(=C/c(cc3OC)cc(c3O)Br)\C1=O)=O,0.0
38096,CO-ADD:0295714,4.46,C(C(OC)=O)(C(F)(F)F)(NC(OC)=O)Nc1sc(c(CC)c1C#N)C,0.0
38097,CO-ADD:0294917,4.46,[C@](O)([C@@H](OC)C(C1)[C@H](C2)OC)(C13)[C@@]2(O)[C@@H]4C5[C@@]36C(C4)[C@@](CC[C@@H]6OC)(CN5CC)OC(=O)c7ccccc7NC(C)=O.Br,0.0
38098,CO-ADD:0293120,4.46,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)OCC)cccc4,0.0
38099,CO-ADD:0295464,4.46,N1(NC(=O)c(cc2)ccc2[N+](=O)[O-])C(c3ccc(cc3)OC)Nc(c4C1=O)cccc4,0.0
38100,CO-ADD:0295971,4.46,c1(c2cc(Br)ccc2O)nnc(ccc(cccc3)c34)n14,0.0
38101,CO-ADD:0292256,4.46,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5)OCc6ccccc6F,0.0
38102,CO-ADD:0292381,4.46,N1(CN(CC2)CCN2C(OCC)=O)c(cccc3)c3\C(=N\c4cc(Cl)cc(Cl)c4)\C1=O,0.0
38103,CO-ADD:0295785,4.46,s1c(c2ccccc2)nnc1NC(CSc3nnc(N)s3)=O,0.0
38104,CO-ADD:0293985,4.46,N1(CC(=O)Nc(cc2)ccc2O)C(=O)c3c(C(C)=N1)cccc3,0.0
38105,CO-ADD:0293971,4.46,c1(nonc1N)\C(\N)=N\NC(=O)c(cccn2)c2,0.0
38106,CO-ADD:0304625,4.46,c1(SCC(=O)Nc2ccccc2C(OC)=O)nc(c3n1c4ccccc4)cccc3,0.0
38107,CO-ADD:0304681,4.46,N1(c2ccc(cc2)OC)C(=O)C(Cc3ccccc3)=C(N=C1SCC(=O)N4CCCCC4)O,0.0
38108,CO-ADD:0304825,4.46,S(=O)(=O)(Nc(cc1)ccc1OCC(=O)N(CC2)CCO2)C3=C(C)NC(NC3=O)=O,0.0
38109,CO-ADD:0305177,4.46,C(C(OC)=O)(=CN(CC)C=C1C(OC)=O)C1c2cc(OC)c(cc2OC)OC,0.0
38110,CO-ADD:0300929,4.46,C(=S)(Nc1cccc(Cl)c1)Nc(ccc(c23)OCO2)c3,0.0
38111,CO-ADD:0305015,4.46,c1(C2c3ccc(cc3)OCc4ccccc4F)c([nH]nc1c5ccc(cc5Cl)Cl)OC(N)=C2C#N,0.0
38112,CO-ADD:0304975,4.46,N1(C)C(=O)N(C(NC(=O)N2C3CCCCC3)C12)C,0.0
38113,CO-ADD:0304800,4.46,c(c(cccc1)c1c(n2)c(cc3)ccc3C(NCCO)=O)(Nc4ccc(cc4C)C)n2,0.0
38114,CO-ADD:0305057,4.45,c1(C2c(cc3OC)cc(c3O)Cl)c([nH]nc1c4ccc(cc4)Br)OC(N)=C2C#N,0.0
38115,CO-ADD:0292635,4.45,C1(C(=O)c2ccc(cc2)Br)=C(O)C(NC1c3ccccc3OC)=O,0.0
38116,CO-ADD:0293857,4.45,[N+](=O)([O-])c1cccc(Cl)c1Oc(cc2)ccc2C(=O)COC(=O)c(c3c4cccc3)cc(n4)c5ccc(cc5)Cl,0.0
38117,CO-ADD:0295160,4.45,c1(NC(=O)c2ccccc2OCC)sc(c3c1C(OCC)=O)CCCC3,0.0
38118,CO-ADD:0293185,4.45,C(=C/c(ccc1c2cccc(Cl)c2C)o1)(/C3=O)\C(=O)c(c34)cccc4,0.0
38119,CO-ADD:0292301,4.45,c1(sc(n2)c3ccc(cc3)CC)c2sc(c4ccc(cc4)CC)n1,0.0
38120,CO-ADD:0293074,4.45,C1(Sc(c2N1)cccc2)(N(c3ccc(cc3)Br)N=C4C(OCC)=O)S4,0.0
38121,CO-ADD:0295407,4.45,c1(OC(N)=C(C2c(cc3OC)cc(c3O)OC)C#N)c2c(n[nH]1)CC,0.0
38122,CO-ADD:0293147,4.45,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c4ccccc4OCC=C)\C1=O)=NC(C)=C2C(OC)=O,0.0
38123,CO-ADD:0293268,4.45,c(CC(NC(C)=O)C(NCCOc1ccccc1c2ccccc2)=O)(c3c([nH]4)cccc3)c4,0.0
38124,CO-ADD:0293261,4.45,c1(nnc(Cc(c2c([nH]3)cccc2)c3)s1)NC(=O)c4cccc(C)c4,0.0
38125,CO-ADD:0294876,4.45,N(Cc1ccccc1)(C(=O)C(C23)C(c4ccccc4O)NC2(CC(C)C)C(O)=O)C3=O,0.0
38126,CO-ADD:0295098,4.45,c1(cc(ccc1N(CC2)CCC2C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3)C(F)(F)F)[N+](=O)[O-],0.0
38127,CO-ADD:0293326,4.45,C1(OC(C)=O)C(OC(C)=O)C(CO2)OC2C1OC(C)=O,0.0
38128,CO-ADD:0292340,4.45,C(=O)(OC(C)(C)C#C)C1CC(C)=CCC1C(O)=O,0.0
38129,CO-ADD:0292309,4.45,n1(c2ccccc2)c(COc(cc3)ccc3C4CCCCC4)nnc1SCC(=O)Nc(ccc(c5s6)nc6SCC(=O)N7CCc(cccc8)c78)c5,0.0
38130,CO-ADD:0293979,4.45,C1(C#N)(C#N)C(C(C)C)CC(C(CCC)C1(C#N)C#N)=O,0.0
38131,CO-ADD:0295569,4.45,c1(C(=O)Nc2ccccc2OC)nnn(Cc3ccccc3)c1N,0.0
38132,CO-ADD:0295524,4.45,c1(ccc(c2)Cl)c2nccc1Nc(cc3)ccc3OC(F)(F)F,0.0
38133,CO-ADD:0300480,4.45,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(cc3OC)cc(c3O)I)\C1=O)=O,0.0
38134,CO-ADD:0300496,4.45,N(C1c(cc2)ccc2[N+](=O)[O-])(C(=O)C(=C1C(C)=O)O)c3sc(c4n3)cccc4,0.0
38135,CO-ADD:0300656,4.45,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(=C3C1c4ccccc4C(F)(F)F)CCCC3=O,0.0
38136,CO-ADD:0304955,4.45,N(CN(CC1)CCO1)(N=C(N2c3ccccc3)c4ccccc4Br)C2=S,0.0
38137,CO-ADD:0300493,4.45,C12=C(N(C(=O)N1Cc3ccccc3)C)C(N(C)C(=O)N2C)=O,0.0
38138,CO-ADD:0300301,4.45,N(C)(C(=O)C(Cc(ccc(c1OC)OCc2ccccc2)c1)C(N3C)=O)C3=O,0.0
38139,CO-ADD:0300886,4.45,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3C(=O)c4ccccc4F)[N+](=O)[O-],0.0
38140,CO-ADD:0304726,4.45,c1(n(c2)ncn2)c(c3ccc(cc3)Cl)nc(N)s1,0.0
38141,CO-ADD:0304750,4.45,c1(N(CC2)CCO2)nc(Oc(cc3)ccc3F)nc(Nc4cccc(Cl)c4)n1,0.0
38142,CO-ADD:0304723,4.45,o1c(SCC(=O)c2ccc(cc2Cl)Cl)nnc1c3ccc(cc3)N=C=S,0.0
38143,CO-ADD:0294467,4.45,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)S\C(=N/CC)\Nc(cc3)ccc3OC(F)(F)Cl,0.0
38144,CO-ADD:0295303,4.45,C(=C(/CC)\Nc1ccccc1N)(/C2=O)\C(=O)NC(=O)N2,0.0
38145,CO-ADD:0293889,4.45,N1=C(N\N=C\c(cc2)ccc2OCc(cc3)ccc3F)SC(C(C)C)C1=O,0.0
38146,CO-ADD:0294629,4.45,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(ccc3c(cc4Cl)c(OC)cc4[N+](=O)[O-])o3,0.0
38147,CO-ADD:0295150,4.45,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)ccc4N(C)c5ccccc5)\C1=O,0.0
38148,CO-ADD:0293761,4.45,c1(c2c(c34)c(ccc2)ccc3)c4nc(ccc(OC)c5)c5n1,0.0
38149,CO-ADD:0294319,4.45,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(C)s5)cccc4,0.0
38150,CO-ADD:0292753,4.45,c1(ccc(c2c1O)cccc2)C(=O)C3CCCCC3C(O)=O,0.0
38151,CO-ADD:0295121,4.45,S(=O)(=O)(NC(=O)Nc1nc(C)nc(OC)n1)c2c(Cl)nc(c(Cl)c2C)C,0.0
38152,CO-ADD:0292284,4.45,c1(cc(ccc1OCC(F)(F)C(F)F)NC(=O)c2ccccc2O)C(F)(F)F,0.0
38153,CO-ADD:0294425,4.45,c(nc(c1ccc(c(OC)c1)OC)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N4CCCCC4,0.0
38154,CO-ADD:0292378,4.45,N(C1(CCCCC1)Oc(c23)cccc2)=C3SCC(N)=O,0.0
38155,CO-ADD:0293253,4.45,N1(CN2CCc(c3C2)cccc3)c(cccc4)c4\C(=N\c(ccc(c5Br)C)c5)\C1=O,0.0
38156,CO-ADD:0294972,4.45,S1(=O)(=O)c(cccc2)c2C(N(C)CCOC(=O)CN3C=Nc(c4C3=O)cccc4)=N1,0.0
38157,CO-ADD:0295416,4.45,c1(CC2(C)C)c(ccc(cccc3)c13)C(=N2)COc(cc4)ccc4C.Cl,0.0
38158,CO-ADD:0295547,4.45,C1(=O)NC(SC(CC)C(=O)Nc(cc2)ccc2OC(F)(F)F)=NN=C1C,0.0
38159,CO-ADD:0293893,4.45,N(c1ccc(cc1)OC)(C2)C(=O)CC2C(=O)N(CC3)CCN3C(=O)C(CC(N4c5ccc(cc5)OC)=O)C4,0.0
38160,CO-ADD:0292848,4.45,C1(SCC(=O)N1c(cc2)ccc2C(C)C)(c3c(N4CN(CC5)CCN5C(c6ccccc6)c7ccccc7)cccc3)C4=O,0.0
38161,CO-ADD:0300897,4.45,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])C(F)(F)F,0.0
38162,CO-ADD:0301177,4.45,c1(SCC(=O)Nc(cccc2C(F)(F)F)c2)[nH]c(c(c3)n1)ccc3[N+](=O)[O-],0.0
38163,CO-ADD:0301002,4.45,C(F)(F)(F)c(ccc(c1NC(Cc(cc2)ccc2F)=O)Oc(ccc(c3Cl)Cl)c3)c1,0.0
38164,CO-ADD:0301034,4.45,[N+](=O)([O-])c1cccc(c1)N=NN(O)C(=N)c(cccc2[N+](=O)[O-])c2,0.0
38165,CO-ADD:0300843,4.45,C1(F)(F)Oc(c2O1)ccc(c2)NC(=O)c3ccc(c(OC)c3)OC,0.0
38166,CO-ADD:0301079,4.45,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(Br)c3)C2c4cccs4,0.0
38167,CO-ADD:0301158,4.45,C(F)(F)(C(F)(F)F)C(F)(F)C(=O)\C=C(/C)\NNC(=O)c(cccn1)c1,0.0
38168,CO-ADD:0300351,4.45,c1(ccc(cc1OC)SC)C(=O)Nc2cccc(CCc3ccccn3)c2,0.0
38169,CO-ADD:0300800,4.44,c1(NC(Cc(cc2)ccc2Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OC,0.0
38170,CO-ADD:0294806,4.44,n1(c2ccc(cc2)OC)c(ccc(c3)Nc(c(cccc4)c4c(n5)c6ccc(cc6)OC)n5)c3nc1,0.0
38171,CO-ADD:0295140,4.44,N(\C(=C\c(cc1)ccc1C#N)\C(O2)=O)=C2c3ccc(cc3)F,0.0
38172,CO-ADD:0294976,4.44,S(=O)(=O)(N(CC1)CCO1)c(c(Cl)cc(c2C(=O)OCC(c3ccccc3)=O)Cl)c2,0.0
38173,CO-ADD:0295290,4.44,c1(O2)c(c(n[nH]1)COC)C(C(C#N)=C2N)c(cc3)ccc3C(C)C,0.0
38174,CO-ADD:0295011,4.44,[n+]1([O-])onc(C)c1COc2ccc(cc2OCC)\C=C(\c(cc3)ccc3[N+](=O)[O-])/C#N,0.0
38175,CO-ADD:0292324,4.44,n1(C)cnnc1SCC(=O)c2ccc(c3c2)CCCC3,0.0
38176,CO-ADD:0292336,4.44,O(Cc(cccc1)c1CO2)C2CN(CCCC)CCCC.Cl,0.0
38177,CO-ADD:0292901,4.44,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c1Cl,0.0
38178,CO-ADD:0293112,4.44,c1(c2c(sc1NC(=O)c3ccccc3F)CCC2)C(=O)Nc4ccccc4OCC,0.0
38179,CO-ADD:0293331,4.44,C1(O)(C(F)(F)F)NC(SCc2ccccc2)=C(C(c3ccccc3Cl)C1C(=O)c4cccs4)C#N,0.0
38180,CO-ADD:0292969,4.44,C1(O)(O)C(=O)N(N=C1C(=O)c2ccc(cc2)C)c3ccc(cc3)OC,0.0
38181,CO-ADD:0294125,4.44,N(C(=O)C(S1)Cc(cc2)ccc2C)=C1N(CC3)CCN3c4ccccc4C,0.0
38182,CO-ADD:0293478,4.44,C1(NNC(=O)c2ccc(cc2)Br)=NC(Cc3c1ccc(c34)cccc4)(C)C,0.0
38183,CO-ADD:0295797,4.44,n1c(SCC(=O)Nc2ccccc2C#N)snc1SCC(=O)Nc3ccccc3C#N,0.0
38184,CO-ADD:0294552,4.44,C1(=NNC2=O)N2c(cccc3)c3C(=O)N1c4ccccc4C,0.0
38185,CO-ADD:0295858,4.44,c1(C2c3ccc(c(OCC)c3)OC)c([nH]nc1c(cc4)ccc4[N+](=O)[O-])OC(N)=C2C#N,0.0
38186,CO-ADD:0293115,4.44,c1(c2c(sc1NC(=O)c3ccco3)CCCCC2)C(=O)Nc4ccccc4CC,0.0
38187,CO-ADD:0295583,4.44,c1(C(OC)=O)sc(c2c1N)cc(cc2N=[N+]=[N-])[N+](=O)[O-],0.0
38188,CO-ADD:0300380,4.44,c1([N+](=O)[O-])ncn(C)c1Nc(cc2)ccc2O,0.0
38189,CO-ADD:0300436,4.44,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(N(Cc3cccs3)C1=S)CC(=O)Nc(cc4)ccc4F,0.0
38190,CO-ADD:0300854,4.44,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1N(CC)CCNc2ccc(cc2[N+](=O)[O-])Cl,0.0
38191,CO-ADD:0300862,4.44,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCCCCCN,0.0
38192,CO-ADD:0300640,4.44,C1(C(=O)OCc2ccccc2)=C(C)NC(=C3C1c4ccc(C)s4)CCCC3=O,0.0
38193,CO-ADD:0305131,4.44,c1(c2ccccc2C)nnn(CC(=O)Nc(cc3)ccc3F)n1,0.0
38194,CO-ADD:0300817,4.44,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1OCC)Nc2sc(c(CC)c2C#N)C,0.0
38195,CO-ADD:0293021,4.44,n1(c2ccccc2F)nnnc1SCC(=O)Nc(ccc(c34)OCCO3)c4,0.0
38196,CO-ADD:0295227,4.44,C(C(C)=O)(C1c2ccccc2)=C(O)C(N1C3CCCCC3)=O,0.0
38197,CO-ADD:0292684,4.44,c1(nnc(COc(cc2)ccc2Cl)s1)NC(=O)C34CC(CC(C5)C3)CC5C4,0.0
38198,CO-ADD:0292906,4.44,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc(ccc(c4Cl)Cl)c4)c1Cl,0.0
38199,CO-ADD:0293783,4.44,n1(c2ccccc2)c(COc(cc3)ccc3C(C)(C)C)nnc1SCC(=O)Nc(ccc(c4s5)nc5SCC(=O)Nc6c(OC)ccc(OC)c6)c4,0.0
38200,CO-ADD:0294891,4.44,C(=N/c(cc1)ccc1Cl)(/N2)\c3c(CC2(C)C)cc(C)c(C)c3,0.0
38201,CO-ADD:0294843,4.44,S(=O)(=O)(Nc1ccccc1OC)C2=C(C)NC(NC2=O)=O,0.0
38202,CO-ADD:0294925,4.44,C1(SCC(C(O)=O)N1)c2cc(Br)ccc2O,0.0
38203,CO-ADD:0293259,4.44,n1c(SCC(N)=O)c2c(c(C)n1)cccc2,0.0
38204,CO-ADD:0295229,4.44,C(C(C)=O)(C1c2ccc(c3c2)OCO3)=C(O)C(N1Cc4ccco4)=O,0.0
38205,CO-ADD:0295291,4.44,n1(c(CC)c(nn1)C(OC)=O)c2nonc2N,0.0
38206,CO-ADD:0295306,4.44,N1(c2ccccc2C)C(=O)\C(=C\NCC)\C(NC1=O)=O,0.0
38207,CO-ADD:0305246,4.44,S(=O)(=O)(c1ccc(cc1)CCNC(C)=O)Nc(ccc(c23)OCCO2)c3,0.0
38208,CO-ADD:0305231,4.44,N1(c2ccc(cc2)OC(F)(F)C(F)F)C(C)=Nc(c3C1=O)cccc3,0.0
38209,CO-ADD:0304865,4.44,c12c(n(c(N\N=C\c3cccc(O)c3)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
38210,CO-ADD:0304538,4.44,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCc3ccccc3)C2c4ccco4,0.0
38211,CO-ADD:0305315,4.44,c(c1)(c(O)c(c(OC(=O)C=C2C)c12)C)[N+](=O)[O-],0.0
38212,CO-ADD:0293906,4.44,C12(CCCCC1)Oc(c3O2)ccc(c3)NC(Cc(cc4)ccc4F)=O,0.0
38213,CO-ADD:0293899,4.44,c1(c(ccc(c1)C(F)(F)F)Oc(cccc2C(=O)Nc3cc(ccc3N(C)C4CCCCC4)C(F)(F)F)c2)[N+](=O)[O-],0.0
38214,CO-ADD:0292806,4.44,n1(c2c(nc1)cccc2)C(=O)c3ccc(cc3)Cl,0.0
38215,CO-ADD:0293724,4.43,C1(C2c3ccccc3O)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC4=O)=C24,0.0
38216,CO-ADD:0295248,4.43,N1(c2c(CC1C)cccc2)C(=O)Cc(cc3)ccc3[N+](=O)[O-],0.0
38217,CO-ADD:0294731,4.43,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Cl)=C(O)C(N2Cc(cccn4)c4)=O,0.0
38218,CO-ADD:0295546,4.43,c1(SC(CC)C(=O)Nc(cc2)ccc2OC(F)(F)F)nc(C)cc(C)n1,0.0
38219,CO-ADD:0292377,4.43,C1(SC(C(=O)N1c2ccc(cc2)OCC)C)(c3c(N4CN(CC5)CCN5c6ccc(cc6)F)cccc3)C4=O,0.0
38220,CO-ADD:0296009,4.43,N1(C(C#N)c2ccc(c(OC)c2)O)C(C)(C)CC(C)=N1,0.0
38221,CO-ADD:0292383,4.43,N12C(S\C(=C\c(ccc(c34)OCO3)c4)\C1=O)=C(C(c5ccc(c6c5)OCO6)C(C(OCC)=O)=C2N)C(OCC)=O,0.0
38223,CO-ADD:0293359,4.43,c1(NC(=O)c2ccc(cc2)F)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
38224,CO-ADD:0305141,4.43,N1(c2ccc(cc2)F)C(=O)\C(\SC1=N)=C\c3cc(OCO4)c4cc3[N+](=O)[O-],0.0
38225,CO-ADD:0300916,4.43,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCN2C(=O)c3ccc(cc3)Br,0.0
38226,CO-ADD:0305348,4.43,C(/NC(c1ccccc1)=O)(=C\c2ccco2)\C(=O)NC(CCSC)C(O)=O,0.0
38227,CO-ADD:0293500,4.43,c1(NC(CSC2=NCCS2)=O)sc(c(CCN3C)c1C(OCC)=O)C3,0.0
38228,CO-ADD:0293725,4.43,N(c1c2cc(C)cc1C)C(=O)C(N2)=O,0.0
38229,CO-ADD:0295334,4.43,C(=O)(Oc1ccc(cc1OC)C=O)c2ccco2,0.0
38230,CO-ADD:0293372,4.43,C1(C(OCCOC)=O)=C(C)NC(=O)CC1c2c(cccc2F)Cl,0.0
38231,CO-ADD:0293547,4.43,c12c(nnc(N\N=C(/c3c(N4CC(O)=O)cccc3)\C4=O)n1)c5c(cccc5)n2C,0.0
38232,CO-ADD:0294693,4.43,N1c(ccc(c2)OC(F)(F)F)c2C3C(CC=C3)C1c(cc4)ccc4[N+](=O)[O-],0.0
38233,CO-ADD:0295724,4.43,c1(C(=O)OCc2ccccc2)[nH]c(c(C(C)=O)c1C)C,0.0
38234,CO-ADD:0294854,4.43,C(/C(OC)=O)(\N\N=C(\c1ccccc1)/c2ccccc2Br)=C/C(c3ccccc3)=O,0.0
38235,CO-ADD:0293907,4.43,c1(S)nc2c(ccc(Cl)c2)n1C(C)c3ccccc3,0.0
38236,CO-ADD:0295682,4.43,C(C(C)=O)(=C(O)C(N1CCN(CC2)CCO2)=O)C1c3ccccc3[N+](=O)[O-],0.0
38237,CO-ADD:0292230,4.43,C(=O)(c1cccc(OC)c1)Nc(cc2)ccc2c(cn3)cnc3c(cc4)ccc4NC(=O)c5cccc(OC)c5,0.0
38238,CO-ADD:0305076,4.43,c12c(c(c3s1)c(C)cc(C)n3)nc(n(c4c(cccc4)n5)c25)C,0.0
38239,CO-ADD:0304437,4.43,N1(\N=C\c(ccc(c23)OCO2)c3)C(c(ccc(c45)OCO4)c5)Nc6c(ccc(c6)[N+](=O)[O-])C1=O,0.0
38240,CO-ADD:0300530,4.43,c1(sccn1)NC(=O)\C=C\c(cc2)ccc2F,0.0
38241,CO-ADD:0300730,4.43,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCN2C(=O)c3ccccc3Br,0.0
38242,CO-ADD:0301187,4.43,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(cc4Cl)cc(c4OCc5ccccc5C#N)Cl)\C1=O)=NC(C)=C2C(OCC)=O,0.0
38243,CO-ADD:0305100,4.43,[n+]1([O-])ccn(O)c1C,0.0
38244,CO-ADD:0305116,4.43,c1(nn(cn1)CC(=O)NC(C)(C)C)[N+](=O)[O-],0.0
38245,CO-ADD:0294438,4.43,C1(C(=O)OC2CCCC2)=C(C)NC(=O)NC1c3ccc(cc3)C,0.0
38246,CO-ADD:0293726,4.43,c1(sc(c2n1)cccc2)Sc(n3)nc(nc3Nc(cc4)ccc4C)Nc(cc5)ccc5C,0.0
38247,CO-ADD:0295957,4.43,C(=O)(c1ccccn1)NC(CC2(C)C)CC(N2)(C)C.Cl.Cl,0.0
38248,CO-ADD:0293704,4.43,N1(c2cc(C)ccn2)C(=O)C(C(C(c(c34)cccc3)c5c6cccc5)C1=O)C46,0.0
38249,CO-ADD:0295151,4.43,C(/CC1C)(=C/c2cc(Br)ccc2OC)\C(=O)\C(\C1)=C\c3cc(Br)ccc3OC,0.0
38250,CO-ADD:0294286,4.43,c1(nnc(c2ccccc2)n1c3ccccc3)S\C(\C(C)=O)=N\Nc(cc4)ccc4Br,0.0
38251,CO-ADD:0292943,4.43,c1(c(cccc1N)Cl)C(O)=O.Cl,0.0
38252,CO-ADD:0292937,4.43,c1(nn(cn1)CC(OC)=O)[N+](=O)[O-],0.0
38253,CO-ADD:0295659,4.43,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(=C\c(cc(n3c4ccc(cc4)Cl)C)c3C)\C(NC1=S)=O,0.0
38254,CO-ADD:0294707,4.43,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c(cc5OC)cc(c5OC)OC,0.0
38255,CO-ADD:0293499,4.42,c12c(nnc(SCC(=O)Nc3sc(c(CCN4C)c3C(OCC)=O)C4)n1)c5c(cccc5)n2CCc6ccccc6,0.0
38256,CO-ADD:0293754,4.42,S(=O)(=O)(N(C)CCOc1ccccc1)c(ccc2c3c4c(o2)cccc4)c3,0.0
38257,CO-ADD:0301020,4.42,c1(OCc2cccc(Br)c2)cc(ccc1C=O)OCc3cccc(Br)c3,0.0
38258,CO-ADD:0301180,4.42,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(c(cccc3)c3n4CCOc5ccccc5)c4)\N2C6CCCCC6,0.0
38259,CO-ADD:0301045,4.42,N(C(N)=S)C(=O)C(=C)CC(O)=O,0.0
38260,CO-ADD:0300285,4.42,N1(c2ccc(cc2)C)C(=O)\C(=C\c(cc(OC)c(c3)OC)c3OC)\C(NC1=S)=O,0.0
38261,CO-ADD:0300309,4.42,N1(c2ccc(cc2)OC)C(=O)C(Cc(ccc(c3OC)OC)c3)C(NC1=O)=O,0.0
38262,CO-ADD:0300317,4.42,N1(c2ccc(cc2)OCC)C(C)(CC)Nc(c3C1=O)cccc3,0.0
38263,CO-ADD:0304695,4.42,n1cnn(C)c1N,0.0
38264,CO-ADD:0304672,4.42,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)Nc(cc3)ccc3C(C)C,0.0
38265,CO-ADD:0295274,4.42,c1(cc(ccc1OC)C=O)OCc2cccc(F)c2,0.0
38266,CO-ADD:0293535,4.42,c1(nccn1CC)C(O)(c2ccccc2)c3ccccc3,0.0
38267,CO-ADD:0294977,4.42,c1(nnc(Cc(c2c([nH]3)cccc2)c3)s1)NC(=O)c4ccc(cc4Cl)Cl,0.0
38268,CO-ADD:0301205,4.42,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
38269,CO-ADD:0300958,4.42,S(NCCc(cc1)ccc1Cl)(=O)(=O)c2ccc(cc2)SC,0.0
38270,CO-ADD:0300366,4.42,n1(c(cc2)ccc2C(OCCC)=O)nnnc1SCC(=O)N(CC3)CCO3,0.0
38271,CO-ADD:0300942,4.42,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3c(cccn3)C,0.0
38272,CO-ADD:0300367,4.42,c12c(n(c(Sc3ncnn3CC(=O)NC(C)(C)C)n1)C)C(N(C)C(=O)N2C)=O,0.0
38273,CO-ADD:0300319,4.42,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C/c(ccc3[N+](=O)[O-])s3)\C1=O)=O,0.0
38274,CO-ADD:0305258,4.42,c1(cc(oc1C)C)C(=O)NCc(ccc2C(O)=O)o2,0.0
38275,CO-ADD:0305289,4.42,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c(ccc(c56)OCO5)c6)c24,0.0
38276,CO-ADD:0304830,4.42,c1(c2c([nH]c1)cccc2)C(OC(COc3ccccc3)CN4C(c5ccccc5)=O)O4,0.0
38277,CO-ADD:0304880,4.42,C(/C#N)(=C/c(cc1)ccc1N(C)C)\C(=O)OCC(=O)Nc2ccccc2,0.0
38278,CO-ADD:0305156,4.42,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2ccc(cc2OC)OC,0.0
38279,CO-ADD:0300312,4.42,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)Nc(ccc(c3[N+](=O)[O-])Cl)c3,0.0
38280,CO-ADD:0301033,4.42,c12c([nH]nc1c3ccc(cc3)OC)OC(=C(C#N)C24c5c(c(cccc6)c46)cccc5)N,0.0
38281,CO-ADD:0300627,4.42,c1(NC(CCCOc2ccc(cc2Cl)Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccc(cc3C)C,0.0
38282,CO-ADD:0305021,4.42,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2CC)(C(=O)Nc3ccccc3OC)C1c4cccs4,0.0
38283,CO-ADD:0305139,4.42,n1(c(cccc2C)c2n3)c3S\C(=C/c(cc4OC)cc(c4OC(C)=O)OC)\C1=O,0.0
38284,CO-ADD:0300601,4.42,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(=O)OCC5CCCO5,0.0
38285,CO-ADD:0305202,4.42,S(=O)(=O)(N(CC1)CCO1)c2c(C)ccc(C(=O)COC(=O)c3ccc(c(OC)c3)OC)c2,0.0
38286,CO-ADD:0305127,4.42,C1(CC2CC1C(C2(C)C)C)(OC(c3ccccc3)=O)C#Cc4ccccc4,0.0
38287,CO-ADD:0305152,4.42,C(C(OC)=O)(=CN(CC)C=C1C(OC)=O)C1c2cccc(OC)c2OC,0.0
38288,CO-ADD:0304557,4.42,c(NC(=O)c(ccc(c12)OCO1)c2)(s3)c(C(OCC)=O)c(c3C(=O)N4CCCCC4)C,0.0
38289,CO-ADD:0305373,4.42,N1(c2ccc(cc2)CC)C(=O)C(Cc(ccc(c3OC)OC)c3)C(NC1=O)=O,0.0
38290,CO-ADD:0304447,4.42,N(CC(OC)=O)c1ccccc1OC.Cl,0.0
38291,CO-ADD:0304983,4.42,N1(c2ncccn2)C(=O)c3c(cc(cc3)Oc(ccc(c4C5=O)C(N5c6ncccn6)=O)c4)C1=O,0.0
38292,CO-ADD:0300570,4.42,S(=O)(=O)(c1ccc(cc1)Br)N(C)CC(O)=O,0.0
38293,CO-ADD:0300597,4.42,C1(C(=O)OC2CCCCC2)=C(C)NC(=C3C1c4ccc(C)o4)CCCC3=O,0.0
38294,CO-ADD:0300831,4.42,C1(=S)N(c2ccc(cc2)C)NC(C)(CC(C)C)N1,0.0
38295,CO-ADD:0304622,4.42,C1(=S)N(CCC(C)C)NC(CC)(CC)N1,0.0
38296,CO-ADD:0304449,4.42,c1(C(=O)Nc(ccc(c2C)C)c2)nnn(Cc3ccccc3)c1N,0.0
38297,CO-ADD:0304929,4.42,[N+](=O)([O-])c1c(SCC)ccc(c1)C(=O)Nc(cc2)ccc2Cc(cc3)ccn3,0.0
38298,CO-ADD:0304458,4.42,n1(c2ccccc2)nc(c(C(OC)=O)n1)N,0.0
38299,CO-ADD:0301144,4.42,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(c(OC)c5)OCc6ccccc6)cccc4,0.0
38300,CO-ADD:0301137,4.41,C1(CCC(NC1c2ccc(c(Cl)c2)Cl)=O)[N+](=O)[O-],0.0
38301,CO-ADD:0300361,4.41,n1c[nH]nc1SCc2ccccc2C,0.0
38302,CO-ADD:0304641,4.41,c1(Nc(cccc2[N+](=O)[O-])c2)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
38303,CO-ADD:0304673,4.41,S(c1ccccc1)(=O)(=O)N(CC2)CCN2CCNC(=O)C(=O)NCc3ccco3,0.0
38304,CO-ADD:0300807,4.41,c1(NC(=O)c2cccc(OC)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3cccc(OC)c3,0.0
38305,CO-ADD:0304643,4.41,c1(Nc2ccccc2C(c3ccccc3)=O)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
38306,CO-ADD:0320597,4.41,C1(=O)N=C(C)C=C(C)N1CCO,0.0
38307,CO-ADD:0326730,4.41,n(c(NCC)nc(n1)N\N=C/c(cc2)ccc2N(C)C)c1NCC,0.0
38308,CO-ADD:0326787,4.41,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c(cccc4C(F)(F)F)c4)c5ccc(cc5)Cl,0.0
38309,CO-ADD:0326211,4.41,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c3ccccc3)\NC(=O)c4ccco4)c1C,0.0
38310,CO-ADD:0326795,4.41,N1(Cc2ccco2)C(=O)CC(Cc(cc3)ccc3C)C1=O,0.0
38311,CO-ADD:0326843,4.41,C1(=S)N(Cc(cc2)ccc2[N+](=O)[O-])N=CN1N,0.0
38312,CO-ADD:0327218,4.41,C(N(CC)CC)(=S)SCC(=O)Nc(cc1)ccc1F,0.0
38313,CO-ADD:0327522,4.41,C(=N\OCc1ccc(cc1Cl)Cl)(/C(C)=N2)\C(C)=Nc(c23)cccc3,0.0
38314,CO-ADD:0327242,4.41,c1(ccccc1OCCCCCC)C(NCCOc(cc2)ccc2Cl)=O,0.0
38315,CO-ADD:0327219,4.41,c1(N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])sc(c(c4ccccc4)n1)CCC,0.0
38316,CO-ADD:0324308,4.41,S1(=O)(=O)c2c(c3N1CC(=O)Nc(ccc(c4Br)C)c4)c(ccc2)ccc3,0.0
38317,CO-ADD:0323069,4.41,c1(c2C)c(nc(nc1N3CCCC3)c4ccccc4)sc2c5nc(C)c(c(N)n5)C(C)=O,0.0
38318,CO-ADD:0320906,4.41,c1(c2c(cs1)CCCC2)C(=O)Nc3ccccc3OC,0.0
38319,CO-ADD:0320986,4.41,c1(cc(OC)cc(OC)c1)C(NCCOc(cc2)ccc2Cl)=O,0.0
38320,CO-ADD:0319251,4.41,n1c(Sc2ccc(cc2[N+](=O)[O-])C(F)(F)F)n[nH]c1c3ccccc3[N+](=O)[O-],0.0
38321,CO-ADD:0307516,4.41,c1(cc(Cl)ccc1NC(=O)c2ccc(c(OC)c2)OC)C(NCC=C)=O,0.0
38322,CO-ADD:0311143,4.41,c1(cc(ccc1N(CC2)CCO2)c3oc(nn3)C)[N+](=O)[O-],0.0
38323,CO-ADD:0311177,4.41,n(CC(O)COc(cc(CC)cc1C)c1)(c2)c3c(n2)cc(C)c(C)c3,0.0
38324,CO-ADD:0311044,4.41,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccccc3Cl,0.0
38325,CO-ADD:0311213,4.41,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(O)CN(CCCC)CCCC,0.0
38326,CO-ADD:0312314,4.41,N1(CCc(c23)cccc2)C3CN\C(=C\C(=O)c4ccc(cc4)OC)\C1=O,0.0
38327,CO-ADD:0301831,4.41,c1(noc(c2ccc(cc2)F)n1)c3nonc3N,0.0
38328,CO-ADD:0302552,4.41,c1(cc(ccc1N(CC2)CCN2)C(F)(F)F)[N+](=O)[O-],0.0
38329,CO-ADD:0302988,4.41,C1(O)(c2c(NC1=O)cccc2)CC(=O)c3ccccc3C(F)(F)F,0.0
38330,CO-ADD:0304052,4.41,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3cccc(F)c3)N4CCC(CC4)C)[N+](=O)[O-],0.0
38331,CO-ADD:0304061,4.41,N1(C)C(=O)N(C)C(C(C(C)N(C(=O)N2C)C)C12)c3ccc(c(OC)c3)O,0.0
38332,CO-ADD:0303045,4.41,c1(NC(CCl)=O)c2c(cccc2)nc(CC)c1C,0.0
38333,CO-ADD:0311423,4.41,S(=O)(=O)(Nc(ccc(c1Cl)Cl)c1)c(ccc(c2O3)N(C3=O)C)c2,0.0
38334,CO-ADD:0311461,4.41,C1(O)(OCC(C(=O)C1)(C)C)C(Cl)(Cl)Cl,0.0
38335,CO-ADD:0311358,4.41,N1(c2ccccc2)C(=O)C(CCCCC)=C(N=C1SCCN(CC)CC)O.Cl,0.0
38336,CO-ADD:0307205,4.41,c1(c2CCCC1=O)c(CC(Cl)(Cl)Cl)c(n2c(cccn3)c3)C,0.0
38337,CO-ADD:0310782,4.41,C(C(OC)=O)(=CN(C(C)c1ccccc1)C=C2C(OC)=O)C2c3ccc(cc3Cl)Cl,0.0
38338,CO-ADD:0310745,4.41,c(C(=O)N1CCCC1)(s2)c(C)c(c2NC(COc3ccc(cc3C)Cl)=O)C(OCC)=O,0.0
38339,CO-ADD:0312419,4.4,c1(C2c3cccc(F)c3)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
38340,CO-ADD:0311371,4.4,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccccc1F)Nc2sc(c(CC)c2C#N)C,0.0
38341,CO-ADD:0311758,4.4,N1(CC)C(=O)C(N(CCc2ccccc2)C1=S)CC(=O)Nc(cc3)ccc3OCCC,0.0
38342,CO-ADD:0305642,4.4,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cc(C)ccc3C)C2c4ccccc4OCC,0.0
38343,CO-ADD:0306240,4.4,n1(c2)c(ccc(CCSc3ccccc3)c1)cc2c4ccccc4,0.0
38344,CO-ADD:0311683,4.4,n1(c2ccc(cc2F)F)nnnc1SCC(=O)Nc3c(C)cccc3C,0.0
38345,CO-ADD:0323237,4.4,c1(N)c(Cl)ncc(Cl)c1OC,0.0
38346,CO-ADD:0323277,4.4,n1(c2ccccc2)c(SCc(cc(OCO3)c3c4)c4Cl)nnc1c5cccc(F)c5,0.0
38347,CO-ADD:0324456,4.4,C1(=Cc(cccc2OC)c2OC1=O)C(=O)Nc3ccccc3NC(=O)c(cc4)ccc4C(F)(F)F,0.0
38348,CO-ADD:0324792,4.4,c1(N(CCCC)CCCC)nc(OCC)nc(Nc(cc2)ccc2OC(Cl)(F)F)n1,0.0
38349,CO-ADD:0321254,4.4,n1c(N(CC2)CCO2)ncnc1N(CC3)CCO3,0.0
38350,CO-ADD:0324506,4.4,c1(C(OCC)=O)c(O)c(Cl)c(nc1O)C,0.0
38351,CO-ADD:0324625,4.4,C1(C2=O)C(C(NC1(CC(C)C)C(O)=O)c3cc(Br)ccc3O)C(N2c4ccccc4)=O,0.0
38352,CO-ADD:0323981,4.4,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c2c(C)cc(cc2C)C,0.0
38353,CO-ADD:0319750,4.4,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(c(Cl)c5)Cl)c24,0.0
38354,CO-ADD:0320070,4.4,S(=O)(=O)(Cc1ccccc1)c2cc(ccc2C(N)=O)N=[N+]=[N-],0.0
38355,CO-ADD:0320654,4.4,n1(CC(=O)N(CC(C)C)C2(CCCCC2)C(=O)Nc(cc3)ccc3OC)nnnc1N,0.0
38356,CO-ADD:0320647,4.4,C(=N/c1cccc(F)c1)(/SC(C(=O)Nc(cc2)ccc2OC(Cl)(F)F)CC3=O)\N3C,0.0
38357,CO-ADD:0320690,4.4,C(=N/c(cc1)ccc1OC(F)(F)Cl)(/SC(C(=O)Nc2ccc(cc2C)C)CC3=O)\N3C,0.0
38358,CO-ADD:0319604,4.4,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/Nc(cc3)ccc3OCC,0.0
38359,CO-ADD:0318979,4.4,S(=O)(=O)(c1ccc(cc1)C)N(CC(O)CN(CC(C)C)CC(C)C)c2c(OC)ccc(c2)[N+](=O)[O-],0.0
38360,CO-ADD:0328999,4.4,C12(c3c(N(C\C=C/c4ccccc4)C1=O)cccc3)NC(C(C(N5Cc6ccccc6)=O)C2C5=O)C,0.0
38361,CO-ADD:0329015,4.4,N1(c2cc(C)cc(C)c2)C(=O)C(SC13CCCCC3)C,0.0
38362,CO-ADD:0327137,4.4,n1(c(C)nn2)c2SCC(c3ccc(cc3)F)=N1.Br,0.0
38363,CO-ADD:0326112,4.4,N1(C(c2ccco2)CC(O)=O)C(=O)C(C3C1=O)C(CC34)C=C4,0.0
38364,CO-ADD:0326120,4.4,c1(NC(CSc2nnnn2c3ccc(cc3)Cl)=O)n(Cc4ccccc4)nnc1C(=O)Nc5ccccc5OC,0.0
38365,CO-ADD:0328126,4.4,S(=O)(=O)(c(cccc1S(=O)(=O)c2ccc(cc2)Cl)c1)NC(CC)C34CC5CC(CC(C5)C3)C4,0.0
38366,CO-ADD:0328439,4.4,n(nnn1)(C2c3ccc(cc3)Br)c1NC(C(OC)=O)=C2C(C)=O,0.0
38367,CO-ADD:0328095,4.4,C1(C(=O)NC(C)(CC)C#C)=Cc2c(OC1=O)ccc(OC)c2,0.0
38368,CO-ADD:0329569,4.4,S(=O)(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(OCC)=O)c2c(OC)ccc(Cl)c2,0.0
38369,CO-ADD:0319267,4.4,c1(c2c(cccc2Cl)F)nnc(cccc3Cl)n13,0.0
38370,CO-ADD:0324679,4.4,C(/C(C)=NN1c2cccc(Cl)c2)(=C\c(c(cccc3)c3n4CC(OCC)=O)c4)\C1=O,0.0
38371,CO-ADD:0324727,4.4,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5ccc(Cl)s5)cccc4,0.0
38372,CO-ADD:0321500,4.4,c12c(n(cn1)CCCN(C)C)C(NC(=O)N2C)=O,0.0
38373,CO-ADD:0321325,4.4,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OC)O)c3)\C1=N,0.0
38374,CO-ADD:0305757,4.4,c1(Nc(ccc(c2Cl)OC)c2)nc(Cl)nc(NCCC3=CCCCC3)n1,0.0
38375,CO-ADD:0311300,4.4,S(=O)(=O)(N(CCCN1S(=O)(=O)c2c(Cl)ccc(c2)[N+](=O)[O-])CC1)c3c(Cl)ccc(c3)[N+](=O)[O-],0.0
38376,CO-ADD:0307035,4.4,c12c([nH]nc1c3cc(OC)ccc3OC)OC(N)=C(C#N)C2c4c[nH]nc4c5ccc(cc5)F,0.0
38377,CO-ADD:0305927,4.4,c1(C2CCCCC2)cc(Cl)ccc1OCC(=O)Nc3ccccc3F,0.0
38378,CO-ADD:0312030,4.4,C1(=CC=CN(CC(O)=O)C1=O)[N+](=O)[O-],0.0
38379,CO-ADD:0306905,4.4,c1(C2c3cc4c(cc3Br)OCO4)c([nH]nc1c5ccc(cc5)OC)OC(N)=C2C#N,0.0
38380,CO-ADD:0303761,4.4,c1(sc(c2n1)cccc2)NC(=O)\C(\C#N)=C/c(ccc3c4ccc(cc4)C)o3,0.0
38381,CO-ADD:0303712,4.4,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3ccccc3OCCCC,0.0
38382,CO-ADD:0301832,4.4,n1c(c2ccccc2)noc1c3ccccc3Cl,0.0
38383,CO-ADD:0302420,4.4,N1(c2ccccc2)C(=O)c3c(NC1(C)CC(=O)Nc4ccccc4)cccc3,0.0
38384,CO-ADD:0302432,4.4,S(NCCCCC(NCCOc1cc(C)ccc1C(C)C)=O)(c2ccccc2)(=O)=O,0.0
38385,CO-ADD:0303238,4.39,C(=O)(c1ccco1)N(CC2)CCN2C(c3ccccc3)=O,0.0
38386,CO-ADD:0311865,4.39,c12c([nH]nc1c3ccc(cc3)OC)OC(N)=C(C#N)C2c4c[nH]nc4c5ccc(cc5)F,0.0
38387,CO-ADD:0312161,4.39,c1(C#N)c(C)cc(nc1SCC(NCCc2ccccc2)=O)C,0.0
38388,CO-ADD:0305649,4.39,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(ccc(c3Cl)C)c3)C2c4ccccc4,0.0
38389,CO-ADD:0312137,4.39,C(C(OC)=O)(NC(CC)=O)(C(F)(F)F)Nc1sc(c(CCN2Cc3ccccc3)c1C#N)C2,0.0
38390,CO-ADD:0306239,4.39,S(=O)(=O)(c1ccc(cc1)Br)Nc2cc(on2)C,0.0
38391,CO-ADD:0323200,4.39,N1(c2ccc(cc2C)C)C(=O)CC(N(CCC(C3)(C4)CC(C5)CC3CC45)C(C)=O)C1=O,0.0
38392,CO-ADD:0319134,4.39,c1(ccc(c(OC)c1OC)OC)C(NCCOc2ccccc2Cl)=O,0.0
38393,CO-ADD:0323860,4.39,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5cc(C)ccc5OC,0.0
38394,CO-ADD:0323188,4.39,C1(C(OCCSC)=O)=C(C)NC(NC1c2ccc(Br)s2)=O,0.0
38395,CO-ADD:0321497,4.39,C1(C#N)=C(c2cccs2)C=C(c3ccccc3)NC1=S,0.0
38396,CO-ADD:0321514,4.39,c1(N(CC2)CCO2)nc(OCC)nc(NCCC3=CCCCC3)n1,0.0
38397,CO-ADD:0323935,4.39,S(=O)(=O)(N(C)C)c(c(C)ccc1C(c(cccc2)c2C(N3CC(NCCc(c4C)c(ccc(c5Cl)Cl)c5[nH]4)=O)=O)=N3)c1,0.0
38398,CO-ADD:0319828,4.39,C(=C\c(ccc1Br)o1)(/C2=O)\C(=O)c3c2cccc3,0.0
38399,CO-ADD:0324070,4.39,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)NCCC4=CCCCC4,0.0
38400,CO-ADD:0320579,4.39,c12c(non1)NC(=O)C(=O)N2,0.0
38401,CO-ADD:0320572,4.39,N1(C(CCl)=O)c2c(cccc2)Sc(ccc(c3)C(F)(F)F)c13,0.0
38402,CO-ADD:0319331,4.39,[N+](=O)([O-])c1ccc(cc1)\C=C\C(NCCOc2ccccc2)=O,0.0
38403,CO-ADD:0320541,4.39,C(=N/c(cc1)ccc1F)(/SC(C(=O)Nc2cccc(OCC)c2)CC3=O)\N3CCc(ccc(c4OCC)OCC)c4,0.0
38404,CO-ADD:0326096,4.39,N1(CCCCCC(NCCc(c(cccc2)c2n3C)c3C)=O)C(=O)c(c4C1=O)cccc4,0.0
38405,CO-ADD:0326537,4.39,N1(C(c2ccco2)CC(O)=O)C(=O)C(C3C1=O)C(CC4)CC34,0.0
38406,CO-ADD:0327133,4.39,N12C(CCCCC1)=N\C(=C\c(cc3)ccc3C(OC)=O)\C2=O,0.0
38407,CO-ADD:0327157,4.39,N1(C(C)(C)CC(CC1(C)C)NS(C)(=O)=O)OC(c2ccccc2)=O,0.0
38408,CO-ADD:0327719,4.39,[n+]1(nc(c2Br)C)n2[n-]c(C)c1Br,0.0
38409,CO-ADD:0327634,4.39,c(C1CCC2)(c23)n(CCN1C(=O)c4c(C)onc4c5c(cccc5F)Cl)c6c3cc(cc6)C,0.0
38410,CO-ADD:0327666,4.39,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1Cc5ccco5)CC,0.0
38411,CO-ADD:0325975,4.39,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc4cccc(Cl)c4Cl)[N+](=O)[O-])c13)cccc2,0.0
38412,CO-ADD:0327595,4.39,c(C(=O)NC(N1)c2ccc(cc2)NC(C)=O)(sc3c4c(COC)cc(C)n3)c14,0.0
38413,CO-ADD:0327812,4.39,[C@H](CS[C@@H]1[C@H](C(C)C)CC[C@@H](C)C1)(C(=O)O)N,0.0
38414,CO-ADD:0328012,4.39,C1(=S)N(Nc2c(Cl)cc(cn2)Cl)C(C(=O)N1c3ccc(cc3)OC)CC(=O)Nc4ccccc4,0.0
38415,CO-ADD:0319715,4.39,N1(c2sccn2)C(=O)\C(\SC1=N)=C/c(ccc3c(cccc4C(O)=O)c4)o3,0.0
38416,CO-ADD:0320392,4.39,N1(c2c(OC)ccc(OC)c2)C(=O)NC(\C(=C/c(cc(OC)c(c3)OC)c3OC)\C1=O)=O,0.0
38417,CO-ADD:0320200,4.39,N1C(C)(C)CC(CC1(C)C)NC2CCCCC2,0.0
38418,CO-ADD:0320153,4.39,C12=C(CCCC1=O)Nc(c3C2c4ccc(c(OC)c4)OC(C)=O)ccc5c3ccc(n5)C,0.0
38419,CO-ADD:0323895,4.39,C(/N1)(\c2c(CC1(C)C)cc(OC)c(OC)c2)=C/C(=O)Nc3c(C)cc(cc3C)C,0.0
38420,CO-ADD:0323303,4.39,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccccc4OC)C3c(cc5OC)cc(c5OC)OC,0.0
38421,CO-ADD:0323247,4.39,c1(C(OCC)=O)sc2c(c(COC)cc(C)n2)c1NC(CCl)=O,0.0
38422,CO-ADD:0323880,4.39,N1(CC(=O)Nc(cc2)ccc2OCC(OC)=O)C(=O)c3c(C(c4ccc(cc4)C)=N1)cccc3,0.0
38423,CO-ADD:0323912,4.39,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)NC3=C1C(=O)NC(N3CCc(ccc(c4OCC)OCC)c4)=O,0.0
38424,CO-ADD:0312132,4.39,C(C(OCC)=O)(C(F)(F)F)(NC(OCC)=O)Nc1sc(c(C)c1C(OCC)=O)c2ccccc2,0.0
38425,CO-ADD:0305632,4.39,C(C#N)(C(c1ccc(cc1)OC)CC(N2)=O)=C2SCC(=O)Nc3cc(Cl)cc(Cl)c3,0.0
38426,CO-ADD:0307361,4.39,n1(c2ccc(cc2)Cl)nnnc1SCC(=O)Nc3ccccc3C(F)(F)F,0.0
38427,CO-ADD:0307470,4.39,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c3ccc(c(OC)c3OC)OC,0.0
38428,CO-ADD:0311008,4.39,C(=O)(N1CCC(CC1)C(OCC)=O)c2ccccc2NC(=O)c3ccc(cc3)Cl,0.0
38429,CO-ADD:0312392,4.39,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(O)c4,0.0
38430,CO-ADD:0310864,4.38,c12c(c3c(cccc3)OC1=O)nc(c(cccc4[N+](=O)[O-])c4)nc2NC(CC)=O,0.0
38431,CO-ADD:0311199,4.38,C(/C#N)(\C(OCC=C)=O)=C\c(ccc1c2cccc(Cl)c2Cl)o1,0.0
38432,CO-ADD:0307080,4.38,N1(CCC(CC1)C)c2ccc(cc2F)C(C)=O,0.0
38433,CO-ADD:0307572,4.38,C(/C#N)(=C/c1ccc(C)o1)\C(=O)Nc(cccc2[N+](=O)[O-])c2,0.0
38434,CO-ADD:0305480,4.38,C(=O)(N(C)C)c1ccc(cc1)N,0.0
38435,CO-ADD:0311014,4.38,c1(NC(=O)c2ccccc2C)n(c3ccccc3)ncc1C(=O)N(CC4)CCN4CC,0.0
38436,CO-ADD:0320909,4.38,N1(C(C)=O)\C(=C\c(cc2c(n3)ccc(C)c2)c3O)\C(NC1=S)=O,0.0
38437,CO-ADD:0320869,4.38,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCC)c4ccccc4,0.0
38438,CO-ADD:0321391,4.38,C12=C(CCCC1=O)Nc(c3C2c4ccc(c5c4)OCO5)ccc6c3ccc(n6)C,0.0
38439,CO-ADD:0320719,4.38,c1(NC(=O)c2ccccc2F)n(c3ccccc3)ncc1C(=O)Nc4ccccc4C(OC)=O,0.0
38440,CO-ADD:0320855,4.38,C(=N/c1ccccc1)(/SC(C(=O)Nc2ccc(cc2C)C)CC3=O)\N3CCc(cc4)ccc4OC,0.0
38441,CO-ADD:0320920,4.38,S(C)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])N3CCc(c4C3)cccc4,0.0
38442,CO-ADD:0323422,4.38,N1(CC(=O)Nc(cc2)ccc2OC(F)(F)F)c3c(OC1=O)cccc3,0.0
38443,CO-ADD:0323902,4.38,N(C(N)=CC(N1)=O)=C1SCCC,0.0
38444,CO-ADD:0323991,4.38,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4ccc(c(OC)c4)OC,0.0
38445,CO-ADD:0320636,4.38,C12(C=Cc3c(ccc(cccc4)c34)O1)C(C)(C)c(c5N2CC(=O)NCc6ccccc6Cl)cccc5,0.0
38446,CO-ADD:0320084,4.38,c12c(CCNC1c3ccc(c(OC)c3)OCC(O)=O)cc(c(OCC)c2)OCC,0.0
38447,CO-ADD:0319813,4.38,c1(NC(=O)c2ccc(c(OC)c2)OC)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
38448,CO-ADD:0319829,4.38,c12c(cccn1)cccc2S\C=C\c3ccccc3,0.0
38449,CO-ADD:0320077,4.38,C1(=Cc(cccc2)c2OC1c3ccc(c(OCC)c3)OCC)[N+](=O)[O-],0.0
38450,CO-ADD:0319778,4.38,c12c(ccc(CNC(COc(cc3)ccc3I)=O)c1)OCO2,0.0
38451,CO-ADD:0320526,4.38,N(C(C)=O)(CC1N2CCc(cccc3)c13)C2c4ccc(c(OCC)c4)OC,0.0
38452,CO-ADD:0320436,4.38,n1(nnc(C(OCC)=O)c1CN(CC2)CCN2C34CC(CC5C3)CC(C5)C4)c6nonc6N,0.0
38453,CO-ADD:0319020,4.38,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)C)=C(O)C(N2Cc(cccn4)c4)=O,0.0
38454,CO-ADD:0319957,4.38,c1(ccc(c(cccn2)c12)SCc3ccco3)[N+](=O)[O-],0.0
38455,CO-ADD:0319966,4.38,c1(SC(C(C)=O)C(C)=O)nnc(c2ccc(cc2)Cl)n1c3ccccc3,0.0
38456,CO-ADD:0319728,4.38,N1(C=CC(=NC1=O)N)C2CC(C(COC(c3ccccc3)(c4ccccc4)c5ccccc5)O2)O,0.0
38457,CO-ADD:0327727,4.38,c1(cccc2c1oc(n2)C)C(=O)Oc3ccccc3C(C)=O,0.0
38458,CO-ADD:0327583,4.38,c1(C#N)c(COC)cc(nc1SCC(NCCc(ccc(c2OCC)OCC)c2)=O)C,0.0
38459,CO-ADD:0328529,4.38,C1(SC(CC)C(=O)Nc2cc(on2)C)=N\C(\C(=O)N1c3ccccc3)=C\c4ccccc4OC,0.0
38460,CO-ADD:0328474,4.38,c(C#N)(c1CCC)c(SCCCN(CC2)CCN2c3cccc(Cl)c3)nc(N)c1C#N,0.0
38461,CO-ADD:0328427,4.38,C(Nc1ccccc1)(C2=O)=C(Cl)C(N2c3ccc(cc3)OCCC)=O,0.0
38462,CO-ADD:0307527,4.38,N1(c(cc2)c(OC1=O)cc2S(=O)(=O)N3CCCCC3)C(=O)c4ccc(cc4)Cl,0.0
38463,CO-ADD:0306234,4.38,n12c(S\C(=C/c(cc3)cc(c3N(C)C)Br)\C1=O)nc(cc(C)c(C)c4)c24,0.0
38464,CO-ADD:0305735,4.38,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5cc(OC)c(cc5OC)OC)cccc4,0.0
38465,CO-ADD:0306964,4.38,c1(N(C)C2=O)c(n(cn1)Cc3ccccc3)C(N2Cc4cccc(Cl)c4)=O,0.0
38466,CO-ADD:0311725,4.38,N(CCCN1Cc2ccccc2)(Cc3ccccc3)C1c(cccc4[N+](=O)[O-])c4,0.0
38467,CO-ADD:0307288,4.38,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3C)c(F)cc3[N+](=O)[O-],0.0
38468,CO-ADD:0320565,4.37,N1(CC=C)C(=S)NN=C1c2ccco2,0.0
38469,CO-ADD:0320594,4.37,[nH](c(ccc(c1)OC(F)(F)Cl)c1c2CCN)c2C,0.0
38470,CO-ADD:0320394,4.37,C(/N1)(\c2c(CC1(C)C)cc(C)c(C)c2)=C\C(OCC)=O,0.0
38471,CO-ADD:0319867,4.37,n1(c2ccc(cc2)OC)c(ccc(c3)NCc4ccccc4O)c3nc1,0.0
38472,CO-ADD:0319875,4.37,N1C(c2ccc(c(OC)c2)OCc3c(cccc3F)Cl)SCC1C(O)=O,0.0
38473,CO-ADD:0307558,4.37,C(C(OCCOCCC)=O)(C1c(cccn2)c2)=C(C)NC(CCCC3=O)=C13,0.0
38474,CO-ADD:0307439,4.37,c(c1Cl)([N+](=O)[O-])c(Cl)nc(Cl)c1C(OCC)=O,0.0
38475,CO-ADD:0306304,4.37,C(F)(F)(F)c(cc1)ccc1C(=O)Nc(cc2)ccc2C,0.0
38476,CO-ADD:0306296,4.37,C1(=O)Nc2c(Oc(cc(cc3Oc(cc4)ccc4Br)[N+](=O)[O-])c13)cccc2,0.0
38477,CO-ADD:0306027,4.37,c1(ccccc1SCC(=O)N2CCCCC2)C(O)=O,0.0
38478,CO-ADD:0306933,4.37,N1(Cc(nc(N)nc2N(CC3)CCO3)n2)c4c(OC1=O)cccc4,0.0
38479,CO-ADD:0302832,4.37,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(CC1=O)Nc(cc3)ccc3OC(F)(Cl)F,0.0
38480,CO-ADD:0302690,4.37,N(C(=O)\C(\S1)=C\c2ccccc2)=C1N(CC3)CCN3C(c4ccccc4)c5ccccc5,0.0
38481,CO-ADD:0302714,4.37,C1(C(OCC)=O)\C(=N\Nc2ccccc2)\CC(C(OCC)=O)\C(=N/Nc3ccccc3)\C1,0.0
38482,CO-ADD:0302128,4.37,c12c(cc(OC)c(OC)c1)N=C(OC2=O)CSCc3ccccc3,0.0
38483,CO-ADD:0302113,4.37,N1=C(C(C)Oc2ccccc2)OC(=O)c(cc(Br)cc3Br)c13,0.0
38484,CO-ADD:0302864,4.37,C(/C#N)(\C(OCC)=O)=C/c(ccc(c1Br)F)c1,0.0
38485,CO-ADD:0302844,4.37,N1(c(cccc2C(F)(F)F)c2)CC(CC1=O)C(=O)Nc(cc3)ccc3Cl,0.0
38486,CO-ADD:0302668,4.37,N1(CCNC(CCc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)=O)C(C)(O)C(OC1=O)(CC3(C)C)CC(N3)(C)C,0.0
38487,CO-ADD:0304332,4.37,[C@@H]1(Oc(cc2)ccc2\C=N\NC(COc3cccc(cccc4)c34)=O)O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O,0.0
38488,CO-ADD:0302480,4.37,c1(c(ccc(c1)[N+](=O)[O-])Oc(cc2)c(OCC)cc2C3SCC(C(O)=O)N3)[N+](=O)[O-],0.0
38489,CO-ADD:0303646,4.37,n1c(c2ccccc2)csc1SCC(c3ccccc3)=O,0.0
38490,CO-ADD:0301817,4.37,c1(NC(=O)C23CC(CC4C2)CC(C4)C3)sc(c(C)c1C(OCC)=O)C(=O)Nc5ccccc5F,0.0
38491,CO-ADD:0301582,4.37,C(C(OC)=O)(C1c2ccccc2C)=C(C)N(C(C)=C1C(OC)=O)C,0.0
38492,CO-ADD:0303498,4.37,c1(C(N(CC2)CCO2)c3ccc(cc3Cl)Cl)nnnn1c(cc4)ccc4C(OCC)=O,0.0
38493,CO-ADD:0302028,4.37,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCN2C,0.0
38494,CO-ADD:0301387,4.37,C(C(=O)c1ccc(cc1)C)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCO)=O,0.0
38495,CO-ADD:0301560,4.37,c1(cc(n2)C)n2c(c(CC)c(O)n1)C,0.0
38496,CO-ADD:0320712,4.37,C1(O)(CC(=O)c2ccc(cc2)Br)c3c(N(C)C1=O)cccc3,0.0
38497,CO-ADD:0323846,4.37,S(=O)(=O)(c1ccc(c(OC)c1)Cl)NC(CC)C23CC4CC(CC(C4)C2)C3,0.0
38498,CO-ADD:0323335,4.37,c1(n(CC(=NN1C(C)=O)c2ccc(cc2)F)c(c34)C(=O)N(C(=O)N3C)C)n4,0.0
38499,CO-ADD:0324145,4.37,S(=O)(=O)(NCc1ccco1)c2c(OC)cc(c(OC)c2)Br,0.0
38500,CO-ADD:0320109,4.37,n1(c2ccccc2)c(SCc3cccc(CSc4nnc(c5ccc(cc5)OC)n4c6ccccc6)n3)nnc1c7ccc(cc7)OC,0.0
38501,CO-ADD:0319782,4.37,c1(NC(=O)C(C)Oc(cc2)ccc2F)sc(c3c1C(OCC)=O)CCCCC3,0.0
38502,CO-ADD:0318772,4.37,S(=O)(=O)(Nc(cc1)ccc1C(OCCCC)=O)c2ccc(c3c2)cccc3,0.0
38503,CO-ADD:0318692,4.37,c1(C(OC)=O)sc(c2c1NC(=O)C(OC)(F)C(F)(F)F)ccc(c2)[N+](=O)[O-],0.0
38504,CO-ADD:0318796,4.37,c1(ccoc1C)C(=O)Nc(c(Cl)ccc2C(F)(F)F)c2,0.0
38505,CO-ADD:0319043,4.37,C(F)(F)(F)c1ccccc1NC(=O)CN(CC2)CCC2(c3ccccc3)C(OCC)=O,0.0
38506,CO-ADD:0329549,4.37,C(c(cc1)ccc1N(C)C)(C(OC)=O)(NS(C)(=O)=O)C(F)(F)F,0.0
38507,CO-ADD:0329542,4.37,S(=O)(=O)(c1ccc(cc1)OCC)N(C(C)=O)c(ccc(c23)oc(CCCC4)c24)c3,0.0
38508,CO-ADD:0329558,4.37,S(=O)(=O)(NC(c1ccc(cc1)OC)CC(OCC)=O)c2ccc(c(Cl)c2OC)Cl,0.0
38509,CO-ADD:0327863,4.37,N1(c2ccccc2)C(c(ccc3c4CC(O3)C)c4)Nc(c5C1=O)cccc5,0.0
38510,CO-ADD:0312418,4.37,c1(C2c3cccs3)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
38511,CO-ADD:0310928,4.37,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4cccc(C)c4,0.0
38512,CO-ADD:0311749,4.37,C12(C(=O)Nc(ccc(C)c3Br)c13)C(C#N)=C(N)Oc([nH]n4)c2c4c(cc5)ccn5,0.0
38513,CO-ADD:0307228,4.37,c1(nc(c2n1CC(=O)Nc(cc3)ccc3OC(F)(Cl)F)cccc2)c4nonc4N,0.0
38514,CO-ADD:0307195,4.37,n(N(CC1)CCO1)(c2C)c(CCCC3=O)c3c2CC(Cl)(Cl)Cl,0.0
38515,CO-ADD:0311742,4.37,c1(OCc2cccc(F)c2)c(OC)cc(cc1OC)C=O,0.0
38516,CO-ADD:0319878,4.37,c(NC(C)(C)C)(nc(OC)nc1Nc(cc2)ccc2OC(F)(F)Cl)n1,0.0
38517,CO-ADD:0320134,4.37,c12c(C(N(C)C(=O)N1C)=O)n(c(SCc(nc(N)nc3N(CC4)CCO4)n3)n2)Cc5ccccc5F,0.0
38518,CO-ADD:0320182,4.36,c1(cccnc1Cl)C#N,0.0
38519,CO-ADD:0320190,4.36,C1(CC(=O)Nc(ccc(cccc2)c23)c13)c(cc4OCC)cc(c4O)Br,0.0
38520,CO-ADD:0305683,4.36,C(/C#N)(\C(c1ccccc1Cl)CC(c2ccccc2)=O)=C(/SCC(=O)Nc3cc(C)ccc3C)\NC(c4ccccc4)=O,0.0
38521,CO-ADD:0305917,4.36,N(c1ccccc1OC)(C(C2CCN3CC2)C3)C(c4ccccc4)=O.Cl,0.0
38522,CO-ADD:0306337,4.36,n(C(c1ccccc1)C=C(N2)c(cc3)ccc3[N+](=O)[O-])(nnn4)c24,0.0
38523,CO-ADD:0306289,4.36,c1(SCc2ccccc2)cc(OC)ccc1C#N,0.0
38524,CO-ADD:0312592,4.36,[C@H]12[C@H](O1)[C@]3(O[C@H]24)[C@]([C@]5(CN(C3)C(C(F)(F)F)=O)O[C@H]6[C@@H]7[C@H]5O7)([C@@]46C(OC)=O)C(OC)=O,0.0
38525,CO-ADD:0304048,4.36,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc(cc2)ccc2CC(O)=O,0.0
38526,CO-ADD:0302435,4.36,S(NCCCl)(=O)(=O)c1c(OC)cc(c(OC)c1)Cl,0.0
38527,CO-ADD:0303906,4.36,C(C(OCC)=O)(C1c2ccc(cc2)OC)=CN(C=C1C(OCC)=O)c3ccc(cc3)F,0.0
38528,CO-ADD:0302514,4.36,P(OC)(OC)(=O)C(c1ccc(cc1)OC)Nc(cc2)ccc2NC(C)=O,0.0
38529,CO-ADD:0304132,4.36,c1(OCc2cccc(Cl)c2)c(I)cc(cc1I)C=O,0.0
38530,CO-ADD:0302184,4.36,c1(N=C(COc2ccccc2)NC3=O)c3c4c(CCCC4)s1,0.0
38531,CO-ADD:0301689,4.36,c1(SCC(=O)Nc(cc(cc2C(O)=O)C(O)=O)c2)sc3c(ccc(OCC)c3)n1,0.0
38532,CO-ADD:0301653,4.36,n(c1CC)[nH]c(c1)O,0.0
38533,CO-ADD:0304275,4.36,c1(c2cccc(c2)NCc(cc3)ccc3F)oc(c4n1)cccc4,0.0
38534,CO-ADD:0304238,4.36,N1(c2ccccc2C)C(=O)c3c(NC1(C)CC(=O)NCc4ccccc4)cccc3,0.0
38535,CO-ADD:0302670,4.36,C1(C(=O)c2c(cccc2)C1=O)(Nc3nonc3c4ccccc4)Nc5nonc5c6ccccc6,0.0
38536,CO-ADD:0301706,4.36,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(cc3OCC)cc(c3OCCOc4ccccc4)Br)\C1=O)=O,0.0
38537,CO-ADD:0303594,4.36,S(=O)(=O)(N(CC1)CCO1)c2c(OC)ccc(c2)C(=O)Nc3sc(c4c3C(OCC)=O)CCCC4,0.0
38538,CO-ADD:0303524,4.36,C(C(OC)=O)(=CN(Cc1ccccc1)C=C2C(OC)=O)C2c(ccc(c34)OCO3)c4,0.0
38539,CO-ADD:0304241,4.36,N1(C(C)c2ccccc2)CC(CC1=O)C(O)=O,0.0
38540,CO-ADD:0302658,4.36,c1(C(=O)N(CC2)CCO2)c(cc(cc1[N+](=O)[O-])SCc3ccccc3)[N+](=O)[O-],0.0
38541,CO-ADD:0302576,4.36,C(/C(=O)NCc1ccccc1)(\NC(c2ccccc2)=O)=C/c3ccco3,0.0
38542,CO-ADD:0303748,4.36,N1(c2cccc(OC)c2)C(=O)\C(=C\Nc(cc3)ccc3C)\C(NC1=O)=O,0.0
38543,CO-ADD:0323088,4.36,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c5ccc(c(OCC)c5)O)O1,0.0
38544,CO-ADD:0324048,4.36,c1(s2)c(c(c23)CCC(C(C)(C)C)C3)C(NC(c4ccc(c(OC)c4)OC)=N1)=O,0.0
38545,CO-ADD:0324657,4.36,C(N)(NCCc(ccc(c1OC)OC)c1)=O,0.0
38546,CO-ADD:0321230,4.36,c1(C(OCC)=O)c(Cl)nc(c(Cl)c1Nc2cccc(C)c2)Cl,0.0
38547,CO-ADD:0323954,4.36,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc4c(F)ccc(F)c4)n2,0.0
38548,CO-ADD:0323474,4.36,N(CCc1ccccc1)(C(=O)C2)C(=O)CN2C(=O)C34CC5CC(CC(C5)C3)C4,0.0
38549,CO-ADD:0321010,4.36,n1(c2ccccc2)c(COc(ccc(c3C)C)c3)nnc1SCC(=O)c4cccs4,0.0
38550,CO-ADD:0321026,4.36,C(=N/c(cc1)ccc1F)(/SC(C(=O)Nc2cccc(Cl)c2)CC3=O)\N3CCc(ccc(c4OCC)OCC)c4,0.0
38551,CO-ADD:0321460,4.36,c12c(CCNC1c3ccc(c(C)c3)C)cc(c(OCC)c2)OCC,0.0
38552,CO-ADD:0326091,4.36,c1(oc(nn1)Cc(cc2)ccc2[N+](=O)[O-])c3ccc(cc3Cl)Cl,0.0
38553,CO-ADD:0326556,4.36,C1(c2ccc(c3n2)cccc3)=Cc(cc(Br)cc4)c4N(C)C1=O,0.0
38554,CO-ADD:0326180,4.36,C1(C(OC)=O)(C(F)(F)F)N=C(C=CC=C2)N2C(c3ccc(cc3)Cl)=N1,0.0
38555,CO-ADD:0327631,4.36,c(C(OCC)=O)(c1C)[nH]c(c1CNc2ccccc2)C,0.0
38556,CO-ADD:0328016,4.36,n(nnn1)(C2c3ccccc3)c1NC(C(OC)=O)=C2C(=O)c4ccc(cc4)Cl,0.0
38557,CO-ADD:0327896,4.36,c1(Sc(cc2)c(cccn3)c3c2[N+](=O)[O-])nnc(COc4ccccc4)n1c5ccccc5,0.0
38558,CO-ADD:0328071,4.36,S(=O)(=O)(c(cc1)ccc1C2CCCCC2)NC(c3ccc(cc3)C)CC(OCC)=O,0.0
38559,CO-ADD:0328168,4.36,N(S(=O)(=O)c1ccc(cc1)OC)(S(=O)(=O)c2ccc(cc2)OC)n3c(C)nnc3n4c(C)cc(C)n4,0.0
38560,CO-ADD:0310828,4.36,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
38561,CO-ADD:0306120,4.36,C(=O)(N(CC1)CCN1c2ccc(cc2F)C(CC)=O)c3c(C)cc(c(F)c3)F,0.0
38562,CO-ADD:0306816,4.36,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c3cccs3,0.0
38563,CO-ADD:0306792,4.36,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c3ccc(c(F)c3)Cl,0.0
38564,CO-ADD:0311929,4.36,n1(c2ccccc2)c(SCc(cccc3C(OC)=O)c3)nnc1c4ccc(cc4)OC,0.0
38565,CO-ADD:0305954,4.36,c1(NC(COc(cccc2C(F)(F)F)c2)=O)sc(c(C)c1C(OC)=O)C,0.0
38566,CO-ADD:0319911,4.36,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3ccc(cc3)CC,0.0
38567,CO-ADD:0312653,4.36,C1=C[C@@H]2O[C@@]13[C@@]([C@]24[H])([H])[C@]([C@@H](C(=C([C@H]5CC)O[Ac])CC)N([C@@H]35)[Ac])(C(=C6C(OC)=O)C(OC)=O)O[C@@H]46,0.0
38568,CO-ADD:0312593,4.36,[C@@H]12[C@@H]([C@@]3([C@]([C@]4(CN(C3)C(C)=O)O[C@H]5[C@@H]6[C@H]4O6)([C@]57C(OC)=O)C(OC)=O)O[C@H]17)O2,0.0
38569,CO-ADD:0307343,4.36,C(=S)(Nc(ccc(c1Cl)F)c1)N(CC2)CCN2c(cccc3C(F)(F)F)c3,0.0
38570,CO-ADD:0307179,4.36,C(C(=O)c1cccs1)(C2c3ccccc3F)=C(O)C(N2CCc4ccccc4)=O,0.0
38571,CO-ADD:0306187,4.36,c1(conc1C(=O)c2ccc(cc2)C)C(c3ccccc3)=O,0.0
38572,CO-ADD:0312638,4.36,[C@@H](C1=O)([C@@H](N([C@@H]([C@H]1C)c2ccco2)C(C(F)(F)F)=O)c3occc3)C,0.0
38573,CO-ADD:0302148,4.35,N1(c2ccc(cc2)OCC(O)=O)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
38574,CO-ADD:0303123,4.35,C(C(F)(F)F)(C(F)(F)F)(NC(c(cc1)ccn1)=O)Nc2sc(c3c2C(OC)=O)CCCCC3,0.0
38575,CO-ADD:0302126,4.35,N1(C(=O)c(c2C1=O)ccc(c2)[N+](=O)[O-])c3nnc(SCC)s3,0.0
38576,CO-ADD:0301568,4.35,c1(N(CC2)CCO2)nc(C)cc(C)n1,0.0
38577,CO-ADD:0303942,4.35,C1(C(=O)OC(C)C)=C(C)NC(=C2C1c(cc3OC)cc(c3O)OC)CCCC2=O,0.0
38578,CO-ADD:0301256,4.35,N1(CCSC1c2c(F)cc(cc2F)F)C(=S)Nc(cccc3C(F)(F)F)c3,0.0
38579,CO-ADD:0301626,4.35,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(ccc(c5OCc6ccccc6)OC)c5)cccc4,0.0
38580,CO-ADD:0301505,4.35,S(=O)(=O)(Nc(cc1)ccc1C)c2c(C)ccc(nsn3)c23,0.0
38581,CO-ADD:0304087,4.35,s1c(c2ccccc2)cc(C)c1C(=O)\C=C(\Nc3c(N4)cccc3)/C4=O,0.0
38582,CO-ADD:0301770,4.35,C(=C\c(ccc(c12)OCO1)c2)(/C(C)=NN3c4ccccc4)\C3=O,0.0
38583,CO-ADD:0301297,4.35,C1(C)(C(OCC)=O)\C(=N/Nc(cc2)ccc2Br)\C(C(=O)N1c3ccccc3)=O,0.0
38584,CO-ADD:0303133,4.35,S(C)(=O)(=O)N(CC1)CCN1c2ccc(cc2C(F)(F)F)[N+](=O)[O-],0.0
38585,CO-ADD:0303834,4.35,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)C(C)CN2c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
38586,CO-ADD:0302601,4.35,N1(c2ccc(c3c2)cccc3)C(=O)C(C(C45)C1=O)C(c(c46)cccc6)c7c5cccc7,0.0
38587,CO-ADD:0302586,4.35,[N+](=O)([O-])c(cc1)ccc1C(=O)N(CCO)CCO,0.0
38588,CO-ADD:0303482,4.35,N(Cc1ccco1)(C(=O)c2ccccn2)C3(CCCCC3)C(=O)Nc(cc4)ccc4Br,0.0
38589,CO-ADD:0302866,4.35,N(c1cccc(cccc2)c12)=Nc(ccc(c3\C=N\c4cccc(cccc5)c45)O)c3,0.0
38590,CO-ADD:0302821,4.35,C(=O)(NC(C)(C)Cc(cc1)ccc1O)CC(=O)N\N=C\c(cc2)ccc2OC,0.0
38591,CO-ADD:0321262,4.35,[N+](=O)([O-])c(cc(SCC(CO)O)cc1NC(COCC(O)=O)=O)c1,0.0
38592,CO-ADD:0321352,4.35,c12c(ccc(C)c1)nc(c(CCC)c2SCCC(O)=O)C,0.0
38593,CO-ADD:0319248,4.35,S(=O)(=O)(c1ccc(cc1)NC(C)=O)\N=C(/NC2)\NCN2CC=C,0.0
38594,CO-ADD:0319312,4.35,c1(OC)cc(ccc1OCC(N)=O)C=O,0.0
38595,CO-ADD:0319242,4.35,C1(c2ccccc2)(Nc(cc3)ccc3OCc4ccccc4Cl)C(=O)c(c5C1=O)cccc5,0.0
38596,CO-ADD:0324595,4.35,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c3c1C(OC)=O)CCCCC3,0.0
38597,CO-ADD:0323488,4.35,N1(N)C(SCC(=O)Nc2cccc(C)c2)=NN=C(CCC(O)=O)C1=O,0.0
38598,CO-ADD:0320820,4.35,N1(c2ccccc2)C(=O)c3c(NC1c4cc(ccc(c5)OC)c5nc4Cl)cccc3,0.0
38599,CO-ADD:0320884,4.35,c1(c[nH]nc1c(cnn2c3ccccc3)c2)[N+](=O)[O-],0.0
38600,CO-ADD:0320853,4.35,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCCNc(cc3)c(Cl)cc3[N+](=O)[O-])c1C,0.0
38601,CO-ADD:0320966,4.35,N(C1(c2ccccc2)CC1)(C3=O)C(=O)N(C(=O)N3C4(c5ccccc5)CC4)C6(c7ccccc7)CC6,0.0
38602,CO-ADD:0321399,4.35,C(/C1=O)(=C\c2sccc2C)\Sc(c13)cccc3,0.0
38603,CO-ADD:0324177,4.35,N1(C(=O)\C(\SC1=N)=C\c(ccc2c(cccc3C(OC)=O)c3)o2)c4nonc4NC(C)=O,0.0
38604,CO-ADD:0318717,4.35,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(c(OC)c4)OC)c5ccc(cc5)OC,0.0
38605,CO-ADD:0318829,4.35,N1(CCc(cccc2)c12)C(=O)COc(cccc3C(F)(F)F)c3,0.0
38606,CO-ADD:0320423,4.35,c(NC(C)(C)C)(nc(NC)nc1Nc(cc2)ccc2OC(F)(F)Cl)n1,0.0
38607,CO-ADD:0320503,4.35,C(=N/c(cc1)ccc1Cl)(/SC(C(=O)Nc(cc2)ccc2OC(F)(F)Cl)CC3=O)\N3CC,0.0
38608,CO-ADD:0319390,4.35,[N+](=O)([O-])c(cc(cc1C(NCCOc2ccccc2Cl)=O)C(NCCOc3ccccc3Cl)=O)c1,0.0
38609,CO-ADD:0318983,4.35,N1(c2ccc(cc2)OCC(O)COc3cccc(cccc4)c34)C(=O)c(c5C1=O)cccc5,0.0
38610,CO-ADD:0321152,4.35,c12c(cccc1C(=O)N(C)C)C3C(C(c4ccc(cc4Cl)Cl)N2)CC=C3,0.0
38611,CO-ADD:0319345,4.34,c1(SCc(cc2)ccc2F)sc3c(ccc(OCC)c3)n1,0.0
38612,CO-ADD:0320010,4.34,C1([N+](=O)[O-])=C(C)NC(C(C(O)=O)=C1C)=O,0.0
38613,CO-ADD:0319971,4.34,S(NCCOc1ccccc1Cl)(=O)(=O)c(cc2)ccc2[N+](=O)[O-],0.0
38614,CO-ADD:0329241,4.34,c(C#N)(c(\C(\C#N)=C\c(cc1OC)cc(c1OCc(cc2)ccc2F)OC)nn3c4ccccc4)c3N,0.0
38615,CO-ADD:0329265,4.34,C1(C2=O)C(C(NC1(CC(C)C)C(O)=O)c3cccc(OC)c3O)C(N2c4ccc(cc4)OC)=O,0.0
38616,CO-ADD:0329898,4.34,COc1ccc(cc1)NS(=O)(=O)c2cccc(c2n3)ns3,0.0
38617,CO-ADD:0329362,4.34,C(=O)(C(O)c(cc1)ccc1N(C)C)c2cccs2,0.0
38618,CO-ADD:0326494,4.34,N1(CCc(cn(c23)cccn2)n3)C(=O)c4c(cccc4)C1=O,0.0
38619,CO-ADD:0326813,4.34,C(C(=O)c1ccc(cc1)F)(C2c3cccc(OC)c3)=C(O)C(N2Cc(cccn4)c4)=O,0.0
38620,CO-ADD:0326277,4.34,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCOC)c4ccc(cc4)F,0.0
38621,CO-ADD:0326798,4.34,c1(c2c(cccc2F)Cl)noc(C)c1C(NCCc(ccc(c3OC)OC)c3)=O,0.0
38622,CO-ADD:0326151,4.34,N1(C(=O)\C(\SC1=N)=C\c(ccc2c(ccc(c3C(F)(F)F)Cl)c3)o2)c4nonc4NC(C)=O,0.0
38623,CO-ADD:0311906,4.34,C(=O)(C(NCCOC)=O)Nc1ccc(cc1F)Br,0.0
38624,CO-ADD:0307417,4.34,c1(C(OCC)=O)[nH]c(c(\C(\Cl)=C/CCCCCCC)c1C)C,0.0
38625,CO-ADD:0306833,4.34,C1(C(OC)=O)=C(C)NC(=C2C1c3cc(Br)ccc3OC)CCCC2=O,0.0
38626,CO-ADD:0311798,4.34,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(CCC)=O,0.0
38627,CO-ADD:0307505,4.34,C1(C(=O)OCC2CCCO2)=C(C)NC(NC1c3ccccc3C)=O,0.0
38628,CO-ADD:0312178,4.34,c1(c(NCCCNC)ccc(c1)[N+](=O)[O-])[N+](=O)[O-].Cl,0.0
38629,CO-ADD:0312488,4.34,[C@H]1(O[C@@](CN(C2=O)c3ccccc3)([C@@H]([2H])[C@H]1[2H])[C@H]24)C4,0.0
38630,CO-ADD:0305691,4.34,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2Cl)(C(=O)Nc3ccccc3C)C1c4ccco4,0.0
38631,CO-ADD:0305708,4.34,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC=C)C2c(cc3)ccn3,0.0
38632,CO-ADD:0305692,4.34,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cccc(Cl)c2)(C(=O)Nc3ccccc3C)C1c4ccco4,0.0
38633,CO-ADD:0305452,4.34,N1(c2cccc(Cl)c2)C(=O)\C(=C\c(ccc(c3OC)OC)c3OC)\C(NC1=S)=O,0.0
38634,CO-ADD:0311258,4.34,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)ccc3OCc(cc4)ccc4F)\C2=N,0.0
38635,CO-ADD:0303090,4.34,N1(CC(CC1C2)(C)CC2(C)C)C(=O)c3ccc(cc3)NC(=O)c4cc(F)c(cc4Cl)F,0.0
38636,CO-ADD:0301901,4.34,c1(NC(=O)c2ccccc2Cl)n(c3ccccc3)ncc1C(=O)N4CCC(CC4)Cc5ccccc5,0.0
38637,CO-ADD:0301381,4.34,C1(C(F)(F)F)(C(F)(F)F)NC(=O)N(C2=N1)N=C(SCC)S2,0.0
38638,CO-ADD:0303511,4.34,C(C(OC)=O)(=CN(CCc1ccccc1)C=C2C(OC)=O)C2c3ccc(c(OC)c3)OC,0.0
38639,CO-ADD:0303528,4.34,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cc(OC)c(cc5OC)Br)cccc4,0.0
38640,CO-ADD:0303200,4.34,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3,0.0
38641,CO-ADD:0301298,4.34,C(C(C)=O)(C1c2cccc(OC)c2)=C(O)C(N1CC(O)=O)=O,0.0
38642,CO-ADD:0301267,4.34,N1(C(=O)\C(\SC1=N)=C\c2c[nH]nc2c3ccc(cc3)F)c4nonc4N,0.0
38643,CO-ADD:0304171,4.34,C(=S)(NC(c1ccccc1Cl)C=C2c3ccc(cc3)OCc4ccccc4)N2,0.0
38644,CO-ADD:0304177,4.34,N1(c(ccc(c2C(O)=O)N(CC3)CCO3)c2)C(=O)C4C(C5CC4C(C5Br)Br)C1=O,0.0
38645,CO-ADD:0304170,4.34,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cccc(cccc5)c45,0.0
38646,CO-ADD:0301320,4.34,n1(c2ccccc2)c(COc(cc3)ccc3c4ccccc4)nnc1S,0.0
38647,CO-ADD:0303685,4.34,c1(Sc(cc2)ncc2[N+](=O)[O-])n(C)c3c(cccc3)n1,0.0
38648,CO-ADD:0302467,4.34,C(/c1c(N2C)cccc1)(\C2=O)=C(\SC(N34)=NCCC3)/C4=O.Br,0.0
38649,CO-ADD:0301753,4.34,C(/SC(N1CCC(O)=O)=S)(\C1=O)=C(\c2c(N3)cccc2)/C3=O,0.0
38650,CO-ADD:0303552,4.34,C(C#N)(C(CC(N1)=O)c2ccc(c(OC)c2)OCc3ccccc3)=C1SCC(=O)Nc(cc4)ccc4Br,0.0
38651,CO-ADD:0304165,4.34,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccc(cc4[N+](=O)[O-])OC,0.0
38652,CO-ADD:0303940,4.34,C1(NC(CCC1[N+](=O)[O-])=O)c2cc(OC)c(cc2OC)OC,0.0
38653,CO-ADD:0319325,4.34,N1(CCc(cccc2)c12)C(=O)c3ccoc3C,0.0
38654,CO-ADD:0323881,4.34,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc5ccccc5)c2,0.0
38655,CO-ADD:0323544,4.34,c12c(nnc(SCC(=O)NC(C)(C)CC(C)(C)C)n1)c3c(cccc3)n2Cc4ccccc4,0.0
38656,CO-ADD:0323635,4.34,C(C)(C)(C(=O)OC(C1(C)C)c(cc2)ccc2N(C)C)C1=O,0.0
38657,CO-ADD:0323274,4.34,c1(Nc2cccc(F)c2)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
38658,CO-ADD:0323208,4.33,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCN(CC3)CCN3C(=S)Nc(cc4)ccc4C(OCC)=O,0.0
38659,CO-ADD:0323508,4.33,C1(NC(COc2cccc(Br)c2)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
38660,CO-ADD:0323071,4.33,S(c1ccccc1)(=O)(=O)\N=C(\NCCN\C(\c2ccccc2)=N\S(c3ccccc3)(=O)=O)/c4ccccc4,0.0
38661,CO-ADD:0319324,4.33,C(CCc(cc1)ccc1OC)(NCCOc2ccccc2Cl)=O,0.0
38662,CO-ADD:0323928,4.33,C1(c2ccccc2)(CC1)NC(=O)Nc(cc3)ccc3OCCCC,0.0
38663,CO-ADD:0324615,4.33,C(=O)(Nc(cc1)ccc1OC(F)(F)Cl)C(C(F)(F)F)C(F)(F)F,0.0
38664,CO-ADD:0323049,4.33,N1(C(C)=O)C(NCc2ccccc2)CC(C)N1c3ccccc3,0.0
38665,CO-ADD:0323057,4.33,c12c(CCNC1c3cccc(OC)c3O)cc(c(OCC)c2)OCC.Cl,0.0
38666,CO-ADD:0320942,4.33,c12c(CCCC1C(=O)NCC(OCC)=O)c3c(ccc(Cl)c3)[nH]2,0.0
38667,CO-ADD:0324257,4.33,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCc(cc3)ccc3OC,0.0
38668,CO-ADD:0324306,4.33,n1(c2c(C)cc(cc2C)C)nnnc1SCC(=O)Nc(c(C(N)=O)nn3c4ccccc4)n3,0.0
38669,CO-ADD:0323850,4.33,S(=O)(=O)(NC(CC)C12CC3CC(CC(C3)C1)C2)c4ccc(c(cccc5)c45)OC,0.0
38670,CO-ADD:0319156,4.33,c1(c2ccc(cc2OC)OC)nnc(cccc3Cl)n13,0.0
38671,CO-ADD:0319444,4.33,C(NCCOc1ccccc1)(=O)c2ccc(cc2)C,0.0
38672,CO-ADD:0319212,4.33,c1(NC(=O)c2c(cccc2OC)OC)sc(c(C)c1C(OC)=O)C,0.0
38673,CO-ADD:0319541,4.33,S(=O)(=O)(c1ccc(cc1)C)N2CC(c(c3cc(c4)[N+](=O)[O-])c24)=Cc(cccc5)c5O3,0.0
38674,CO-ADD:0329938,4.33,c12c(ncnc1N3CCCCC3)scc2C4COc(c5O4)cccc5,0.0
38675,CO-ADD:0329234,4.33,n1c(c2ccc(cc2)SC)nnn1CC(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
38676,CO-ADD:0326728,4.33,n1(\N=C\c(cc2)ccc2Cl)c(S)nnc1c3cccc(Br)c3,0.0
38677,CO-ADD:0326289,4.33,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)OC)n1CC(O)c5ccccc5,0.0
38678,CO-ADD:0328437,4.33,C(F)(F)(Cl)Oc(cc1)ccc1NC(=O)CCN2CCCC2.Cl,0.0
38679,CO-ADD:0326552,4.33,n1c(c(cc2)ccc2[N+](=O)[O-])nnn1CNc(cc3)ccc3Cl,0.0
38680,CO-ADD:0328467,4.33,N1(CC(C)=C(CC1(C(OC)=O)C(F)(F)F)C)S(c2ccccc2)(=O)=O,0.0
38681,CO-ADD:0328539,4.33,c1(c2ccccc2O)nnc(c3cccc(OC)c3)o1,0.0
38682,CO-ADD:0328795,4.33,c1(nnc(C)s1)NC(=O)c2cc(C)ccc2C(O)=O.c3(nnc(C)s3)NC(=O)c4ccc(cc4C(O)=O)C,0.0
38683,CO-ADD:0328468,4.33,C(C(O)=O)(=CN1CC)C(=O)c(c12)cnc(N(CC3)CCN3C(=S)NC(=O)c4cccc(F)c4)n2,0.0
38684,CO-ADD:0329453,4.33,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)NCc3ccco3,0.0
38685,CO-ADD:0305670,4.33,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)Nc(ccc(c34)cccc3)c4)C2c5ccccc5,0.0
38686,CO-ADD:0310934,4.33,N(\C(=C\c1ccc(cc1OCC)OCC)\C(O2)=O)=C2c3cccc(Cl)c3,0.0
38687,CO-ADD:0307298,4.33,c1(NC(=S)NC(=O)\C=C/c2ccco2)sc(c3c1C(OC)=O)CCCCCC3,0.0
38688,CO-ADD:0306826,4.33,C(C(OCCOC(C)C)=O)(C1c(cc2)ccc2N(CC)CC)=C(C)NC(CCCC3=O)=C13,0.0
38689,CO-ADD:0311125,4.33,C(=O)(Nc1cccc(C)n1)c2ccccc2SC,0.0
38690,CO-ADD:0307560,4.33,c1(noc(c2ccc(Br)o2)n1)c3nonc3N,0.0
38691,CO-ADD:0310901,4.33,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC(C)c4ccccc4,0.0
38692,CO-ADD:0312402,4.33,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(Cl)c4,0.0
38693,CO-ADD:0311710,4.33,C(CN(CC1)CCO1)(C(C)=C(C#N)C(N2CCO)=O)=C2O,0.0
38694,CO-ADD:0311404,4.33,C(C#N)(=C(N)Oc(c12)ccc(\C=N\c(cc3)ccc3Br)c1O)C2c4ccco4,0.0
38695,CO-ADD:0311765,4.33,C1(NCCc(cc(c(OCC)c2)OCC)c12)c3c(cccc3F)F,0.0
38696,CO-ADD:0301458,4.33,C1(=C(C)NC(=C2C1c(cc3OC)cc(c3OC)OC)CCCC2=O)C(=O)Nc4ccccc4OC,0.0
38697,CO-ADD:0304213,4.33,C(=O)(Nc(cc1)ccc1C(C)(C)C)C(=O)NCC(C)O,0.0
38698,CO-ADD:0304366,4.33,n1nc(c(ccc2[N+](=O)[O-])n1CNc3nonc3c4ccccc4)c2,0.0
38699,CO-ADD:0304294,4.33,N1(C(C)=O)C(=O)\C(\NC1=S)=C/c(cccn2)c2,0.0
38700,CO-ADD:0302534,4.33,c1(cc(C#N)c(cc1NCC2CCCO2)C#N)[N+](=O)[O-],0.0
38701,CO-ADD:0303038,4.32,S(=O)(=O)(c1ccc(cc1)OCCCCCCCCCCCCCCC)Nc(cc2)ccc2N(C)C,0.0
38702,CO-ADD:0301717,4.32,N1(c2cccc(C)c2)C(=O)NC(\C(=C\c(ccc(c3OC)OCCSc4cccc(cccc5)c45)c3)\C1=O)=O,0.0
38703,CO-ADD:0301707,4.32,N1(c2cccc(C)c2)C(=O)NC(\C(=C\c(cc3)ccc3OCCOc(cc4)ccc4C(C)CC)\C1=O)=O,0.0
38704,CO-ADD:0302703,4.32,n1(C)cnnc1SCC(=O)Nc2cccc(OCCCC)c2,0.0
38705,CO-ADD:0304060,4.32,S(=O)(=O)(c1ccc(c(N)c1)NCc(cccn2)c2)Nc(cc(cc3C(OC)=O)C(OC)=O)c3,0.0
38706,CO-ADD:0302159,4.32,C1(C(=O)OC(C)C)=C(C)NC(=O)CC1c2ccccc2[N+](=O)[O-],0.0
38707,CO-ADD:0304093,4.32,c1(SCC(OC)=O)sc2c(ccc(c2)NC(=O)c3ccccc3C(=O)N(CC4)CCO4)n1,0.0
38708,CO-ADD:0302098,4.32,N1(CCCO)C(=O)c(c2C1=O)ccc(C(=O)c(ccc(c3C4=O)C(N4CCCO)=O)c3)c2,0.0
38709,CO-ADD:0301746,4.32,N1=C(c2ccccc2)CCN1C(=O)Cc3ccccc3,0.0
38710,CO-ADD:0301244,4.32,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=C3C1c(ccc(c4[N+](=O)[O-])Cl)c4)CCCC3=O,0.0
38711,CO-ADD:0302628,4.32,N1(c2cccc(OC)c2)C(\C=C\c3cccc(Br)c3)=Nc(c4C1=O)cccc4,0.0
38712,CO-ADD:0302837,4.32,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3C(=O)c4ccco4)C1=O,0.0
38713,CO-ADD:0302688,4.32,S1(=O)(=O)c(cccc2)c2C(N\N=C\C=C\c(cc3)ccc3N(C)C)=N1,0.0
38714,CO-ADD:0323532,4.32,C(=O)(c1ccc(c(OC)c1)OCc(cc2)ccc2Cl)Nc3ccccc3F,0.0
38715,CO-ADD:0323293,4.32,C1(C(OCCSC)=O)=C(C)NC(NC1c2ccccc2Br)=O,0.0
38716,CO-ADD:0324536,4.32,c1(\C(\CCC2)=N\OCc3ccccc3F)c2non1,0.0
38717,CO-ADD:0324369,4.32,N1(CC)\C(=N\CC)\S\C(=C/c(cn(n2)C(CC)=O)c2c3ccc(cc3)F)\C1=O,0.0
38718,CO-ADD:0323593,4.32,c12c(ncnc1N)n(cn2)CCOc(cc3)ccc3C(C)=O,0.0
38719,CO-ADD:0324237,4.32,c12c(CCNC1c3ccc(c(F)c3)F)cc(c(OC)c2)OCC,0.0
38720,CO-ADD:0320255,4.32,c(C(=O)c1ccc(cc1F)F)(sc(c23)nc(c(Cl)c2C)C)c3N,0.0
38721,CO-ADD:0324260,4.32,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCc3cccs3,0.0
38722,CO-ADD:0319143,4.32,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccc(Cl)c1)N2CCCCC2c(cccn3)c3,0.0
38723,CO-ADD:0319455,4.32,C(N(c1ccccc1)c2ccccc2)(NC(=O)N=C3N(CC4)CCO4)=N3,0.0
38724,CO-ADD:0319928,4.32,c12c(CCNC1c3cc(OC)ccc3OC)cc(c(OCC)c2)OCC,0.0
38725,CO-ADD:0320345,4.32,n1(nc(c2c1CC(C)(C)CC2=O)C)c3nnc(c4n3)c5c(cccc5)[nH]4,0.0
38726,CO-ADD:0320001,4.32,S(NCC=C)(=O)(=O)c1ccc(c2c1cccn2)OC,0.0
38727,CO-ADD:0328853,4.32,C1(C(F)(F)F)(C(F)(F)F)NC2C(Cl)C1CC2O[N+](=O)[O-],0.0
38728,CO-ADD:0328869,4.32,C(C(c1ccc(cc1)C)NCc2cccc(OCC)c2O)C(OCC)=O.Cl,0.0
38729,CO-ADD:0328942,4.32,N1(c(cccc2C(F)(F)F)c2)C(=O)C(CC1=O)Cc3ccccc3,0.0
38730,CO-ADD:0328990,4.32,C12(CCC(CC1)C(C)(C)C)SC(C(=O)N2c3ccc(cc3)I)C,0.0
38731,CO-ADD:0328926,4.32,N1(C2(CCCCC2)Nc(c3C1=O)cccc3)NS(=O)(=O)c4ccc(cc4)C,0.0
38732,CO-ADD:0327200,4.32,N1(C2(CCCCC2)C(=O)Nc3c(C)cccc3C)C(c4ccc(c(OC)c4)OC)CC1=O,0.0
38733,CO-ADD:0329485,4.32,S(=O)(=O)(N(CC1)CCN1c2ccccc2F)c3c(OC)ccc(Cl)c3,0.0
38734,CO-ADD:0329685,4.32,c1(C#N)c(SCC(=O)Nc(cc2)ccc2OC(F)(Cl)F)nsc1SCC(=O)Nc(cc3)ccc3OC(F)(F)Cl,0.0
38735,CO-ADD:0329438,4.32,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)NC(c3ccc(cc3)OC)CC(OCC)=O,0.0
38736,CO-ADD:0328896,4.32,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)NC(CC)C23CC(CC4C2)CC(C4)C3)Cl)c1,0.0
38737,CO-ADD:0329795,4.32,C(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)C)c(cc3OC)cc(c3OC)OC,0.0
38738,CO-ADD:0312532,4.32,c1(ccc(c2ccccc2)cc1)S(N3C[C@](O[C@H]4C5)(C=C4)[C@@H]5C3)(=O)=O,0.0
38739,CO-ADD:0312632,4.32,C(C(C1)C2C(=O)N1CCc3ccccc3)c(c4C2C(=O)O)scc4,0.0
38740,CO-ADD:0311101,4.32,C(=O)(N(C)C)c1ccc(cc1)NCCC(=O)c2cccs2,0.0
38741,CO-ADD:0312390,4.32,C(C(OCCSCC)=O)(C1c2ccc(cc2)OCC)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
38742,CO-ADD:0311352,4.32,n1(c(cc2)ccc2C(=O)N(C)C3(CCCCC3)C(=O)Nc(cc4)ccc4OC)cnnn1,0.0
38743,CO-ADD:0311847,4.32,C1(C#N)(C#N)C2C(=O)CC(CC2c3ccc(cc3)OC)(C)C1(C#N)C#N,0.0
38744,CO-ADD:0311614,4.32,C(=N/c(cc1)ccc1OC(F)(Cl)F)(/SC(C(=O)Nc2ccccc2)CC3=O)\N3CC,0.0
38745,CO-ADD:0311733,4.32,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)Nc3ccc(cc3[N+](=O)[O-])OCC)n1N,0.0
38746,CO-ADD:0310905,4.32,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c4cccc(Cl)c4,0.0
38747,CO-ADD:0307265,4.32,N1c(cccc2)c2C(OC1c3ccccn3)(CC)CC,0.0
38748,CO-ADD:0305988,4.32,C(C(c1ccc(cc1)SC)Nc(cc2)ccc2Cl)C(=O)c3ccc(cc3)C,0.0
38749,CO-ADD:0311913,4.32,C1(=S)NC2(NN1C(C)(C)C)CCCCCC2,0.0
38750,CO-ADD:0303301,4.32,c1(SCc(cc2)ccc2C(O)=O)oc(c3n1)cccc3,0.0
38751,CO-ADD:0302759,4.32,c1(non2)c2nc(Nc3cccc(C)c3C)c(N\N=C/c(ccc4c(cc5)cc(c5[N+](=O)[O-])Cl)o4)n1,0.0
38752,CO-ADD:0302987,4.32,C1(=S)NC2(NN1c3ccc(cc3)Cl)CCCCCCC2,0.0
38753,CO-ADD:0301475,4.32,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3ccccc3OC,0.0
38754,CO-ADD:0302506,4.32,N1(C2CCCCC2)C(=O)\C(\SC1=S)=C/c(ccc3c4ccc(cc4)F)o3,0.0
38755,CO-ADD:0301925,4.31,c12c(ccc(Sc(ccc(c34)noc3c5ccccc5)c4)c1)noc2c6ccccc6,0.0
38756,CO-ADD:0304085,4.31,c1(sccn1)NC(=O)CCN(CC2)CCN2c3ccc(cc3)Cl.Cl,0.0
38757,CO-ADD:0302122,4.31,c1(sccn1)NC(CC)=O,0.0
38758,CO-ADD:0302189,4.31,S(c1ccccc1)(=O)(=O)N(CC(=O)N(CC2)CCO2)CC(=O)N(CC3)CCO3,0.0
38759,CO-ADD:0303913,4.31,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c(cccc5C(F)(F)F)c5)cccc4,0.0
38760,CO-ADD:0303842,4.31,C(=O)(C(=O)NCC(C)c1ccccc1)Nc2ccccc2OCC,0.0
38761,CO-ADD:0301892,4.31,c(OC(C(F)(F)F)C(F)(F)F)(nc(NN)nc1Nc(cccc2C(F)(F)F)c2)n1,0.0
38762,CO-ADD:0307097,4.31,C(c1ccccc1)(=O)N(CC2)CCN2c(cc3)c(F)cc3C(=O)c4ccc(c(Br)c4)OC,0.0
38763,CO-ADD:0310983,4.31,c12c(n(cn1)CCCN(C)C)C(N(C)C(=O)N2C)=O.Cl,0.0
38764,CO-ADD:0311010,4.31,c1(ccccc1NC(=O)c2ccc(cc2)Cl)C(=O)NCc(cccn3)c3,0.0
38765,CO-ADD:0307229,4.31,c12c(nnc(SCc3ccc(cc3Cl)F)n1)c4c(cccc4)n2C,0.0
38766,CO-ADD:0306007,4.31,c1(C(O)=O)cc(ccc1Sc2ccccc2)[N+](=O)[O-],0.0
38767,CO-ADD:0311919,4.31,c12c(C(OC1(C)C)(C)C)sc(N)c2C#N,0.0
38768,CO-ADD:0323969,4.31,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4cc(COC)ccc4OCC,0.0
38769,CO-ADD:0321073,4.31,C(C(OC)=O)(=CN(CCOC(C1)(C2)CC(CC2C3)CC13)C=C4C(OC)=O)C4c5ccc(cc5)OC(F)(F)F,0.0
38770,CO-ADD:0319794,4.31,c1(NC(=O)c2ccc(cc2)F)sc(c(C)c1C(OC)=O)C,0.0
38771,CO-ADD:0318961,4.31,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCOC)c4ccc(cc4)OC,0.0
38772,CO-ADD:0320018,4.31,[N+](=O)([O-])c(cc1)ccc1C(=O)c2ccc(c(Cl)c2)Cl,0.0
38773,CO-ADD:0318962,4.31,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc4ccccc4)c5ccc(cc5)OC,0.0
38774,CO-ADD:0319579,4.31,S(c1ccccc1)(=O)(=O)NCC2NCCc(cccc3)c23,0.0
38775,CO-ADD:0318883,4.31,C(=O)(c1cccs1)N(CC2)CCN2c(cc3)ccc3C(=O)c4cccc(F)c4,0.0
38776,CO-ADD:0319416,4.31,C1(c2ccccc2)(CC1)NC(NCCc3scc(c4ccccc4)n3)=O,0.0
38777,CO-ADD:0327432,4.31,C1(C(OCCC)=O)=C(C)N(C(=O)NC1c2c(cccc2Cl)F)C,0.0
38778,CO-ADD:0329522,4.31,C(Nc(cc1)ccc1OC(F)(F)F)(C(F)(F)F)(C(F)(F)F)NC(C2CCCCC2)=O,0.0
38779,CO-ADD:0325936,4.31,c1(NC(C2CCCC2)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
38780,CO-ADD:0326369,4.31,C(/C(O)=O)(\Nc1ccccc1OCCCC)=C/C(c2ccccc2)=O,0.0
38781,CO-ADD:0325977,4.31,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc4cccc(OC)c4)[N+](=O)[O-])c13)cccc2,0.0
38782,CO-ADD:0326081,4.31,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Br)cc(C(=O)Nc(ccc(c4F)Cl)c4)n2,0.0
38783,CO-ADD:0326523,4.31,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c(cc4)ccc4C(F)(F)F,0.0
38784,CO-ADD:0327536,4.31,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)c3c(oc1C(CCC(OC)=O)=O)cccc3,0.0
38785,CO-ADD:0327288,4.31,c1(cc(F)c(cc1Cl)F)C(=O)Nc2cc(on2)C,0.0
38786,CO-ADD:0327576,4.31,C1(=O)C(C(O)=O)=C(C)C=C(C)N1c2ccccc2Cl,0.0
38787,CO-ADD:0311016,4.31,c1(C(=O)Nc(cc2)ccc2Br)c(CC3)c(sc1NC(=O)c4ccc(cc4)F)CN3C(OCC)=O,0.0
38788,CO-ADD:0312071,4.31,c1(OC)cc(CCNC(CSCC(=O)Nc2ccccc2)=O)ccc1OC,0.0
38789,CO-ADD:0306842,4.31,C(=C/c(cc1)cc(c1Oc2ccc(cc2C(F)(F)F)[N+](=O)[O-])OC)(/C(C)=NN3c4cccc(Cl)c4)\C3=O,0.0
38790,CO-ADD:0311812,4.31,c1(C#N)c(SCC(=O)Nc2ccccn2)nsc1SCC(=O)Nc3ccccn3,0.0
38791,CO-ADD:0324134,4.31,S(=O)(=O)(NCc1ccccc1)c2ccc3c(ccc(OC)c3)c2,0.0
38792,CO-ADD:0324574,4.31,[nH]1c(cccc2)c2c(CCNC(=O)\C(\NC(=O)c3ccc(cc3)Br)=C\c4ccco4)c1C,0.0
38793,CO-ADD:0306171,4.31,c(Nc(cc1)ccc1OC(F)(F)Cl)(n2)nc(nc2Oc3ccccc3)Oc4ccccc4,0.0
38794,CO-ADD:0312546,4.31,C(C[C@@H](C(N(C1)Cc2ccccc2)=O)C1(C3)OC(C)=O)(=C3)c4ccc(C)cc4,0.0
38795,CO-ADD:0312530,4.31,c1(ccc(I)cc1)S(N2C[C@](O[C@H]3C4)(C=C3)[C@@H]4C2)(=O)=O,0.0
38796,CO-ADD:0312484,4.31,[C@@H]12O[C@@]3(CC1)[C@@H]([C@H]2C(=O)OCC)C(=O)N(C3)Cc4occc4,0.0
38797,CO-ADD:0306769,4.31,C(C(OC)=O)(=CN(Cc(cc1)ccc1F)C=C2C(OC)=O)C2c3cc(OC)ccc3OC,0.0
38798,CO-ADD:0312647,4.31,C1=C[C@@H]2O[C@@]13[C@@]([C@]24C(OC)=O)(C(OC)=O)[C@]([C@H]([C@@H](C([C@@H]5C)=O)C)N([C@H]35)C(=O)C(F)(F)F)(C=C6)O[C@@H]46,0.0
38799,CO-ADD:0302454,4.31,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)NCC(CC3)CCN3,0.0
38800,CO-ADD:0304129,4.31,c1(OCc2ccccc2Cl)c(OC)cc(cc1Cl)C=O,0.0
38801,CO-ADD:0304220,4.31,c1(C2C(CC=C2)C(N3)c(cc4)ccc4[N+](=O)[O-])c3c(ccc1C(F)(F)F)Cl,0.0
38802,CO-ADD:0302943,4.3,C(C(C)=O)(N(C)NC(N1c2ccc(cc2)Cl)c(cc3)ccc3N(C)C)=N1,0.0
38803,CO-ADD:0303114,4.3,C1(C(F)(F)F)(C(F)(F)F)C=C(C)N(C(N)=C1C#N)c2sc(c3c2C(OC)=O)CCCCC3,0.0
38804,CO-ADD:0302032,4.3,[N+](=O)([O-])c1ccc(c2c1cccn2)NCCNCC,0.0
38805,CO-ADD:0301818,4.3,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4OC)cc(c4OC(C)=O)OC)cccc3,0.0
38806,CO-ADD:0301857,4.3,c12c(cc(Br)c(cccc3)c13)C(CC(=O)N2)c(ccc(c45)OCO4)c5,0.0
38807,CO-ADD:0303740,4.3,C(=C/c1cccc(OC)c1)(/C(=O)NC(N2C)=O)\C2=O,0.0
38808,CO-ADD:0304026,4.3,S(NCCSc1nncn1C)(=O)(=O)c(cccc2[N+](=O)[O-])c2,0.0
38809,CO-ADD:0301523,4.3,c1(c(cccc1NC(OCC)=O)ns2)n2,0.0
38810,CO-ADD:0301416,4.3,C12=C(CC(c3ccc(cc3)OC)CC1=O)c4c(ccc(cccc5)c45)NC2c6ccc(c(OC)c6)OC,0.0
38811,CO-ADD:0306016,4.3,c1(c(C)n[nH]c1O)C(c2cccc(c2)OC(=O)c3ccccc3F)c4c(C)n[nH]c4O,0.0
38812,CO-ADD:0305935,4.3,c1(NC(=O)c2ccc(cc2)F)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
38813,CO-ADD:0305602,4.3,C1([N+](=O)[O-])=C(C)NC(C(C#N)=C1C)=O,0.0
38814,CO-ADD:0306303,4.3,C(=O)(c(cc1)ccc1C(F)(F)F)N(CC2)CCN2c3ccccc3,0.0
38815,CO-ADD:0311931,4.3,N1(CCCO)C(=O)c2c(NC1=O)cccc2,0.0
38816,CO-ADD:0312009,4.3,n1(c(C)c(nn1)C(OCC)=O)c2nonc2c3ccccc3,0.0
38817,CO-ADD:0321060,4.3,C(C(OC)=O)(=CN(CC(C1)(CC(CC12)CC3C2)C3)C=C4C(OC)=O)C4c5ccccc5OC(C)C,0.0
38818,CO-ADD:0323976,4.3,S(=O)(=O)(NC(CC1(C)C)CC(N1)(C)C)c2c(OC)ccc(Cl)c2,0.0
38819,CO-ADD:0324024,4.3,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)Nc3ccccc3NC(=O)c(cc4)ccc4C(F)(F)F,0.0
38820,CO-ADD:0321042,4.3,c1(scc(c2ccc(cc2)Br)n1)N3CCCC3C(=O)OCc4ccccc4,0.0
38821,CO-ADD:0318753,4.3,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC)CC)n2)CC(=O)c3ccc(cc3)Br,0.0
38822,CO-ADD:0323405,4.3,N12C(S\C(=C/c(ccc3c4cccc(Cl)c4Cl)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
38823,CO-ADD:0323576,4.29,[n+]([O-])(c(N)c1C#N)c(cc(Cl)c(c2)Cl)c2[n+]1[O-],0.0
38824,CO-ADD:0324841,4.29,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)ccc3OC(C)c4ccccc4)\C2=N,0.0
38825,CO-ADD:0324130,4.29,S(=O)(=O)(NCc1ccco1)c2ccc(cc2OC)C,0.0
38826,CO-ADD:0324603,4.29,c1(Cl)c(OCCO)ccc(Cl)c1,0.0
38827,CO-ADD:0324399,4.29,C(OCCNC(COc1ccc(cc1Cl)Cl)=O)(C2)(C3)CC(CC3C4)CC24,0.0
38828,CO-ADD:0324607,4.29,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c3c1C#N)CCC3,0.0
38829,CO-ADD:0318809,4.29,C(=O)(c(cc1)ccc1C(C)(C)C)Nc2ccc(cn2)Br,0.0
38830,CO-ADD:0320443,4.29,n1(N)c(c(cc2)ccn2)nnc1c(cc3)ccn3,0.0
38831,CO-ADD:0318738,4.29,N(CC1)(CCN1CC(O)COc(cc(CC)cc2C)c2)CC(O)COc(cc(CC)cc3C)c3,0.0
38832,CO-ADD:0319500,4.29,c1(S)n(CCOc2cccc(C)c2)c(c(c3)n1)ccc3C(F)(F)F,0.0
38833,CO-ADD:0319189,4.29,c1(NC(=O)c2ccccc2[N+](=O)[O-])sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
38834,CO-ADD:0319213,4.29,s1c(N)nnc1SCC(=O)c2cccc(cccc3)c23,0.0
38835,CO-ADD:0318917,4.29,c1(C#N)c(SCc2ccccc2)cc(cc1Oc3ccccc3)Oc4ccccc4,0.0
38836,CO-ADD:0327702,4.29,N1(CC(=O)Nc(nnc2C(F)(F)F)s2)C(=O)C(C3C1=O)C(CC34)C=C4,0.0
38837,CO-ADD:0327726,4.29,c1(cccc2c1oc(n2)C)C(=O)Oc3c(C)ccc(C(C)C)c3,0.0
38838,CO-ADD:0327734,4.29,C(C(=O)c1ccc(cc1)OC)(C2c(cccn3)c3)=C(O)C(N2Cc4ccco4)=O.Cl,0.0
38839,CO-ADD:0327214,4.29,n1(c2ccccc2)c(c3cccc(Br)c3)nnc1SC(C)C(=O)Nc4c(C)cc(cc4C)C,0.0
38840,CO-ADD:0328767,4.29,S(=O)(=O)(N(C)C)Oc(c(Cl)cc(c1S2)OC2=O)c1,0.0
38841,CO-ADD:0327529,4.29,C(F)(F)(F)Oc(cc1)ccc1NC(=O)CCN(CC2)CCN2CC#N,0.0
38842,CO-ADD:0327289,4.29,n1(c(cc2)ccc2C(=O)NC(c3ccc(cc3)O)C(=O)Nc4c(C)cccc4C)cnnn1,0.0
38843,CO-ADD:0320412,4.29,N1(CCCCCC(=O)Nc(cc(Sc2ccccc2)cc3[N+](=O)[O-])c3)C(=O)c4c(cccc4)C1=O,0.0
38844,CO-ADD:0323415,4.29,c(NC(CSc1nncn1C)=O)(c(C(N)=O)nn2c3ccccc3)n2,0.0
38845,CO-ADD:0323431,4.29,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c(ccc(c4C(O)=O)O)c4)o3,0.0
38846,CO-ADD:0320221,4.29,C12=C(CCCC1=O)Nc(c3C2c4ccccc4C)ccc5c3ccc(n5)C,0.0
38847,CO-ADD:0320702,4.29,C1(NC(=O)c2ccc(cc2)OCc3ccccc3Cl)=C(C)N(N(c4ccccc4)C1=O)C,0.0
38848,CO-ADD:0319934,4.29,N1C(C)(C)CC(CC1(C)C)NCc(cc2)ccc2OC,0.0
38849,CO-ADD:0320256,4.29,c(C(=O)c1ccc(cc1)OC)(sc(c23)nc(c(Cl)c2C)C)c3N,0.0
38850,CO-ADD:0305484,4.29,N(CCCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(c(OC)c4)O,0.0
38851,CO-ADD:0305404,4.29,c(c1c(s2)CCCC1)(C(=O)N(CC=C)C(=N3)SCC(Br)=C)c23,0.0
38852,CO-ADD:0305541,4.29,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3c4ccc(cc4[N+](=O)[O-])Cl,0.0
38853,CO-ADD:0305565,4.29,n1(c(cc2)ccc2C(N)=O)nnnc1SCC(=O)Nc3ccccc3F,0.0
38854,CO-ADD:0307031,4.29,C(F)(F)(Cl)Oc(cc1)ccc1NC(=O)CN(CC2)CCN2CCOCCO.Cl,0.0
38855,CO-ADD:0307384,4.29,C1(NC(C)=O)=C(C)C=C(NC1=O)C,0.0
38856,CO-ADD:0301503,4.29,S(=O)(=O)(Nc(cc1)ccc1Cl)c2c(C)ccc(nsn3)c23,0.0
38857,CO-ADD:0302171,4.29,C1(Nn(c2)cnn2)=NC3(Cc(cc(OC)c(OC)c4)c14)CCCC3,0.0
38858,CO-ADD:0301905,4.29,c1(c2c(sc1NC(COc(cc3)ccc3Cl)=O)CCCCC2)C(=O)Nc4ccccc4OCC,0.0
38859,CO-ADD:0302549,4.29,N1(C2CCCCC2)C(=O)\C(\SC1=S)=C/c3cc(Cl)cc(OC)c3O,0.0
38860,CO-ADD:0302081,4.29,c1(cc(ccc1C(O)=O)Oc(cc2)ccc2NC(C3CCCCC3)=O)C(O)=O,0.0
38861,CO-ADD:0303232,4.29,c12c(cc(Br)c(cccc3)c13)C(CC(=O)N2)c4ccc(cc4)Cl,0.0
38862,CO-ADD:0312322,4.29,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(c(C)c4)C)c5cccc(OC)c5,0.0
38863,CO-ADD:0305809,4.29,c1(NC(=O)c2c(Cl)ccc(c2)[N+](=O)[O-])sc(c3c1C(OCC)=O)CC(CC3)C,0.0
38864,CO-ADD:0311082,4.29,n12c(S\C(=C/c(ccc(c3OC)OCC(N)=O)c3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
38865,CO-ADD:0312139,4.29,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1cccc(Cl)c1)Nc2sc(c3c2C#N)CC(CC3)C,0.0
38866,CO-ADD:0312138,4.29,C(C(OC)=O)(C(F)(F)F)(NC(c1ccccc1)=O)Nc2sc(c3c2C#N)CC(CC3)C,0.0
38867,CO-ADD:0310982,4.28,c12c(n(cn1)CCN(C)C)C(N(C)C(=O)N2C)=O.Cl,0.0
38868,CO-ADD:0323201,4.28,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCC(O)c3ccccc3,0.0
38869,CO-ADD:0323505,4.28,C(F)(F)(F)c1cccc(c1)NC(CSc2ccccc2C(O)=O)=O,0.0
38870,CO-ADD:0323338,4.28,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)C)c5ccc(cc5)F,0.0
38871,CO-ADD:0323291,4.28,C1(C(OCCCCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)OC)=O,0.0
38872,CO-ADD:0323179,4.28,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c(cc3OC)cc(c3OC)Br,0.0
38873,CO-ADD:0323235,4.28,c1(nc(C)cc(C)n1)N\C(\N)=N\CCC(C)C,0.0
38874,CO-ADD:0324596,4.28,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
38875,CO-ADD:0323926,4.28,N(C(N)=CC(N1)=O)=C1SCC(OCC)=O,0.0
38876,CO-ADD:0323295,4.28,C(C(=O)OC(C)C)(C1c2ccc(cc2)OC(C)=O)=C(C)NC(CC(c3ccccc3OC)CC4=O)=C14,0.0
38877,CO-ADD:0324853,4.28,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCc(cc4)ccc4F)c3)\C2=N,0.0
38878,CO-ADD:0320603,4.28,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCCNC(=O)c2ccc(cc2)F,0.0
38879,CO-ADD:0319086,4.28,c1(ccc(c(OC)c1OC)OC)C(=O)NCc2ccco2,0.0
38880,CO-ADD:0318912,4.28,N1(c2ccccc2Cl)C(=O)\C(\SC1=N)=C\c(cc3)ccc3OCc4ccccc4F,0.0
38881,CO-ADD:0318672,4.28,c1(C2c3ccc(cc3)F)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
38882,CO-ADD:0328528,4.28,c(cc1C(N2C)=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S)c(cc1)Cl,0.0
38883,CO-ADD:0328720,4.28,C1(C2=O)C(C(N(CCC3)N13)c(cc4)ccn4)C(N2c5ccc(cc5)F)=O,0.0
38884,CO-ADD:0328290,4.28,S(=O)(=O)(c1ccc(c(OC)c1)Cl)N(CC2)CCN2c3ccc(c(C)c3)C,0.0
38885,CO-ADD:0328884,4.28,c(CN(Cc1ccco1)S(CC)(=O)=O)(c(C)n(c2C(OCC)=O)[H])c2C,0.0
38886,CO-ADD:0329551,4.28,c(cc1)cc(c1c(nnn2)n23)c(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n3,0.0
38887,CO-ADD:0327921,4.28,c1(N2CCCCC2)nc(OCC)nc(C(N)=O)n1,0.0
38889,CO-ADD:0327177,4.28,c1(CN(c2ccccc2)C(=O)Nc3cccc(Cl)c3)nnc(CCCCC4)n14,0.0
38890,CO-ADD:0321278,4.28,N1(c2ccc(cc2)OCCC)C(=O)C(C3C1=O)C(C)(CC4=O)CC34C,0.0
38891,CO-ADD:0319037,4.28,N1(CCC(=O)Nc(c(OC)ccc2[N+](=O)[O-])c2)C(=O)c3c(cccc3)C1=O,0.0
38892,CO-ADD:0320265,4.28,c(sc(c12)nc(c(Cl)c1C)C)(c2N)c3[nH]c(c4n3)cccc4,0.0
38893,CO-ADD:0319420,4.28,c1(c2c(cs1)CCCC2)C(=O)Nc3ccccc3O,0.0
38894,CO-ADD:0306884,4.28,c(c1c(cc2)ccn2)(C3c(cc4OC)cc(c4OC)OC)c([nH]n1)OC(N)=C3C#N,0.0
38895,CO-ADD:0307015,4.28,N1(c2ccc(cc2)OCCCC)C(=O)C(C3C1=O)CC(=C(C)C3)C,0.0
38896,CO-ADD:0310984,4.28,c12c(n(cn1)CCN)C(N(C)C(=O)N2C)=O.Cl,0.0
38897,CO-ADD:0311028,4.28,C1(CCC(NC1c2cccc(Br)c2)=O)[N+](=O)[O-],0.0
38898,CO-ADD:0310910,4.28,[N+](=O)([O-])c1c(OCC)ccc(c1)C(=O)N(CC2)CCN2c3c(cccc3[N+](=O)[O-])Cl,0.0
38899,CO-ADD:0311115,4.28,S(=O)(=O)(NC1CCCCC1)c(ccc(c2s3)nc3SC)c2,0.0
38900,CO-ADD:0301965,4.28,c12c(n(c(SCC(=O)NC3=C(C)N(N(c4ccccc4)C3=O)C)n1)C)C(N(C)C(=O)N2C)=O,0.0
38901,CO-ADD:0302792,4.28,c1(c2ccccc2Cl)nnn(CC(=O)Nc3ccc(cc3F)F)n1,0.0
38902,CO-ADD:0303074,4.28,c1(ccccc1F)C(=O)NCC(NCCOc2cccc(Cl)c2Cl)=O,0.0
38903,CO-ADD:0303718,4.28,N1C(c(cc2)ccc2N(CC)CC)Nc(c3C1=O)cccc3,0.0
38904,CO-ADD:0303048,4.28,C(=O)(N\N=C\c1cccs1)C(=O)Nc2cccc(cccc3)c23,0.0
38905,CO-ADD:0303034,4.28,n1(C)cnnc1SCC(=O)c2ccc(cc2)F,0.0
38906,CO-ADD:0305409,4.28,C(=O)(c1ccc(cc1)C)Nc(cc2)ccc2Cc(cc3)ccn3,0.0
38907,CO-ADD:0307573,4.28,C(/C#N)(=C/c1ccc(C)o1)\C(=O)Nc2ccccc2Br,0.0
38908,CO-ADD:0306257,4.28,c1(NC(COc2ccccc2C)=O)sc(c(CCN3C(C)=O)c1C(OCC)=O)C3,0.0
38909,CO-ADD:0306249,4.28,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccc(F)c4,0.0
38910,CO-ADD:0306282,4.27,N1=C(N)C(F)=CN(CCC(OC)=O)C1=O,0.0
38911,CO-ADD:0312061,4.27,n1(c2ccccc2)c(SCc(cc3)ccc3[N+](=O)[O-])nnc1c4ccc(cc4)OC,0.0
38912,CO-ADD:0321536,4.27,S(c1ccccc1)(=O)(=O)NC(CCS(C)(=O)=O)C(O)=O,0.0
38913,CO-ADD:0324724,4.27,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5ccc(c(OC)c5)O)cccc4,0.0
38914,CO-ADD:0321354,4.27,c(SCCC(O)=O)(c1c2cccc1)c(CC)c(n2)C,0.0
38915,CO-ADD:0324773,4.27,C(C(c1ccccc1)=O)(C2c3ccc(c(OC)c3)OC)=C(O)C(N2CCNCCO)=O,0.0
38916,CO-ADD:0324686,4.27,N1(Cc2ccco2)C(CCC3)=C3C(NC1=O)=S,0.0
38917,CO-ADD:0319290,4.27,N1(C)\C(=N\C)\SC(C(=O)Nc2ccccc2F)CC1=O,0.0
38918,CO-ADD:0321022,4.27,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)OCc4ccccc4F)c1C)cc(OC)cc3,0.0
38919,CO-ADD:0323714,4.27,C(=C/C(=O)C(C)(C)C)(/N1)\C(=C\C(=O)C(C)(C)C)\Nc(ccc2[N+](=O)[O-])c1c2,0.0
38920,CO-ADD:0319159,4.27,N1C(c2ccc(cc2)OCCCCC)SCC1C(O)=O,0.0
38921,CO-ADD:0318868,4.27,N1(Cc(cc2)ccc2OC)\C(=N\c3ccccc3)\SC(C(N)=O)CC1=O,0.0
38922,CO-ADD:0318900,4.27,c1(NCn2c(C)cc(C)n2)nonc1OC,0.0
38923,CO-ADD:0318712,4.27,c1(n2)c(C(N(C)C(=O)N1C)=O)n(c23)CC(=NN3Cc4ccccc4)c5ccc(cc5)OC,0.0
38924,CO-ADD:0318808,4.27,C1(NC(C2CCCC2)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
38925,CO-ADD:0318881,4.27,C(=N/c(cc1Cl)cc(c1O)Cl)(/SC(C(=O)Nc(cc2)ccc2Cl)CC3=O)\N3C,0.0
38926,CO-ADD:0318921,4.27,N(Cc1ccco1)(C(c2ccc(c(OC)c2)O)C(=O)Nc3c(C)cccc3C)C(=O)c(cc4)ccc4n5cnnn5,0.0
38927,CO-ADD:0318686,4.27,c1(NC(=O)C(OC)(F)C(F)(F)F)sc(c2c1C#N)CCCC2,0.0
38928,CO-ADD:0327629,4.27,C12=C(CCCC1=O)Nc(c3C2c4ccccc4OC)ccc5c3cccn5,0.0
38929,CO-ADD:0327925,4.27,c1(N2CCCCC2C)nc(OCC)nc(Cl)n1,0.0
38930,CO-ADD:0327630,4.27,C12=C(CC(C)(C)CC1=O)Nc(ccc3c4cccn3)c4C2c5ccccc5OC,0.0
38931,CO-ADD:0327646,4.27,c1(C(=O)N(CC)CC)c(C)c(Cl)c(nc1Cl)C,0.0
38932,CO-ADD:0327182,4.27,n12c(c(c(c3ccccc3)c1C(=S)Nc(cc4)ccc4Cl)CCCC5)n5c(c6ccc(cc6)C)n2,0.0
38933,CO-ADD:0325923,4.27,C(O)(C(F)(F)F)(C(F)(F)F)c1cc2c(cc1O)OCO2,0.0
38934,CO-ADD:0327785,4.27,S(=O)(=O)(c1ccc(cc1)Cl)c2c(O)c(C)cc(NC(=O)c3ccc(cc3)Cl)c2C,0.0
38935,CO-ADD:0329793,4.27,c1(cc(OCO2)c2c3)c3C(CC(=O)N1)c4cccs4,0.0
38936,CO-ADD:0326766,4.27,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3C4CC4)c5ccccc5,0.0
38937,CO-ADD:0326670,4.27,c1(c2c3ccc(cccc4)c24)c(CC(C)CC1)c(n3)c5ccc(cc5)OCc6ccccc6F,0.0
38938,CO-ADD:0326678,4.27,C(C#N)(C1c(cc2)ccc2N(CC)CC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(Cl)c4,0.0
38939,CO-ADD:0320040,4.27,N1(CCCCCC(NCCc(ccc(c2OCC)OCC)c2)=O)C(=O)c3c(cccc3)C1=O,0.0
38940,CO-ADD:0320120,4.27,c(C#N)(c1Cl)c(SC(C)C)c(nc1SC(C)C)Cl,0.0
38941,CO-ADD:0310942,4.27,n1(C)c(SCC(=O)Nc(ccc(c2s3)nc3SCC(OCC)=O)c2)nnc1c(cccc4[N+](=O)[O-])c4,0.0
38942,CO-ADD:0307264,4.27,N1c(cccc2)c2C(OC1c3ccc(cc3)NC(C)=O)(CC)CC,0.0
38943,CO-ADD:0307248,4.27,C1(=O)N(c2ccc(cc2)F)C(C)=CC(C)=C1C#N,0.0
38944,CO-ADD:0307217,4.27,C(C#N)(C1c2ccc(cc2)OCc(cc3)ccc3F)=C(N)OC(CC(c4ccco4)CC5=O)=C15,0.0
38945,CO-ADD:0311497,4.27,C1(=NCC(C)S1)N(c2ccc(cc2)OC(F)(F)F)C(=O)Nc(cc3)ccc3Cl,0.0
38946,CO-ADD:0311069,4.27,n1(c2c(nc1c(c3)scn3)cccc2)Cc4c(cccc4Cl)Cl,0.0
38947,CO-ADD:0303820,4.27,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3C(=O)c4ccco4)[N+](=O)[O-],0.0
38948,CO-ADD:0303675,4.27,N1(c2ccccc2Cl)CC(CC1=O)C(=O)Nc(cc3)ccc3C,0.0
38949,CO-ADD:0303244,4.27,c1(c2c(sc1NC(Cc3ccccc3)=O)CCCCC2)C(=O)Nc4ccccc4OCC,0.0
38950,CO-ADD:0303230,4.27,c1(NC(=O)c(ccc(c2[N+](=O)[O-])C)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
38951,CO-ADD:0301644,4.27,c1(NC(=O)C2CC2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3C(OCC)=O,0.0
38952,CO-ADD:0310738,4.27,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CCCC2=O)C3c4ccc(c(OCc5ccccc5)c4)OC,0.0
38953,CO-ADD:0311809,4.27,C(C(OCC)=O)(NC(CCCC)=O)(Nc1cc(C)ccn1)C(F)(F)F,0.0
38954,CO-ADD:0307156,4.27,c1(c2ccccc2C)nnn(CC(NCCc3ccccc3)=O)n1,0.0
38955,CO-ADD:0307557,4.27,C(C(OC)=O)(=CN(C(C)c1ccccc1)C=C2C(OC)=O)C2c3ccccc3Cl,0.0
38956,CO-ADD:0310823,4.27,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCO3)n2)CC(=O)c4cccc(OC)c4,0.0
38957,CO-ADD:0305760,4.27,c(c(O)[nH]n1)c1c2ccc(cc2)OCC,0.0
38958,CO-ADD:0307574,4.27,C(/C#N)(=C/c1ccc(C)o1)\C(=O)Nc2cccc(C)c2,0.0
38959,CO-ADD:0312127,4.27,C(C(OCC)=O)(NC(CCCC)=O)(C(F)(F)F)Nc1scc(C2CC2)n1,0.0
38960,CO-ADD:0312210,4.26,N1(Cc(cc2)ccc2OC)\C(=N\c3ccccc3)\SC(C(=O)Nc4cccc(OCC)c4)CC1=O,0.0
38961,CO-ADD:0307046,4.26,c1(cc(F)c(cc1N(CC2)CCN2CCC#N)N(CC3)CCO3)[N+](=O)[O-],0.0
38962,CO-ADD:0307137,4.26,n1c[nH]cc1CC(NC(CNC(N)=O)=O)C(O)=O,0.0
38963,CO-ADD:0319322,4.26,C(NCCOc1ccccc1Cl)(=O)c2cccc(c3ccc(cc3)OC)c2,0.0
38964,CO-ADD:0321491,4.26,C(C(N)c1ccc(cc1)OCC)C(O)=O,0.0
38965,CO-ADD:0321211,4.26,[nH]1c(SCC(=O)NCc2ccco2)nc3c1ncnc3N,0.0
38966,CO-ADD:0321364,4.26,c12c(ccc(OC)c1)nc(c(CC)c2SCCC(O)=O)C,0.0
38967,CO-ADD:0321525,4.26,N1(O)C(C)(C)CC(CC1(C)C)OC(=O)c2ccco2,0.0
38968,CO-ADD:0321199,4.26,C1(=S)N(C)c(c2N1CCSc3nc(c4n3c5ccccc5)cccc4)cccc2,0.0
38969,CO-ADD:0320923,4.26,C12=C(CCCCCCCCCC1)Nc(c3C2=O)cccc3,0.0
38970,CO-ADD:0323738,4.26,S(=O)(=O)(c1ccc(cc1)OC)N2Cc(cccc3)c3CC2C(=O)NCc4ccccc4,0.0
38971,CO-ADD:0320620,4.26,S(=O)(=O)(c1ccnc2c1cccc2OC)N3CCc(c4C3C(O)=O)cccc4,0.0
38972,CO-ADD:0319820,4.26,C(/Nc(cc1)ccc1NC(C)=O)(\Nc2nc(C)cc(C)n2)=N\C(C)=O,0.0
38973,CO-ADD:0320677,4.26,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c3ccc(cc3)OC)c2C,0.0
38974,CO-ADD:0318783,4.26,c1(NC(=O)C2CC2c3ccccc3)sc(c4c1C#N)CCC4,0.0
38975,CO-ADD:0319511,4.26,c1(C2c3ccc(c(OC)c3OC)OC)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
38976,CO-ADD:0328838,4.26,C1([C@H]2[C@H](OC(C)(C)O2)[C@@H](OC)O1)C3NC(=O)NC(C)=C3C(=O)OCC,0.0
38977,CO-ADD:0326203,4.26,C(=C\C(=O)c1ccc(cc1)Cl)(/C2=O)\Nc(c(ccc3S(CC)(=O)=O)O2)c3,0.0
38978,CO-ADD:0329886,4.26,n1(c2ccccc2OCC)c(CCC(O)=O)ccc1c3cccs3,0.0
38979,CO-ADD:0328551,4.26,N1c(ccc(c2)C(=O)OCC(C)C)c2C3C(CC=C3)C1c4ccc(cc4)F,0.0
38980,CO-ADD:0326627,4.26,n1c(N(C)C)nc(nc1N(C)C)Oc2ccc(nn2)OCC(N)=O,0.0
38981,CO-ADD:0326231,4.26,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c3ccccc3)\NC(=O)c4ccccc4Br)c1C,0.0
38982,CO-ADD:0326743,4.26,C(NCc1ccco1)(OC(C)=CC2=O)=C2C(C)=O,0.0
38983,CO-ADD:0328547,4.26,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc4cc(on4)C)n2,0.0
38984,CO-ADD:0328516,4.26,[nH](c(ccc(c1)OC)c1c2CCNCc3[nH]ccn3)c2C,0.0
38985,CO-ADD:0328485,4.26,c1(C2(CCCCC2)NCCc(c3C)c(ccc(c4Cl)Cl)c4[nH]3)nnnn1c5ccc(cc5)OC,0.0
38986,CO-ADD:0320658,4.26,[nH]1c(cccc2)c2c(CCNC(=O)c(cc3OC)cc(c3OC)OC)c1C,0.0
38987,CO-ADD:0319827,4.26,c(C(=O)Nc(cc1)ccc1[N+](=O)[O-])(sc(c23)nc(cc2C(F)(F)F)c4cccs4)c3N,0.0
38988,CO-ADD:0320059,4.26,N1(CCCCCCCCN2C(C)(O)C3(OC2=O)CCCCC3)C(C)(O)C4(OC1=O)CCCCC4,0.0
38989,CO-ADD:0310966,4.26,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccccc1OC)Nc2sc(c(C)c2C(OCC)=O)c3ccccc3,0.0
38990,CO-ADD:0307509,4.26,c(cc(O)cc1NC(C)=O)(c1)NC(C)=O,0.0
38991,CO-ADD:0311234,4.26,N(C(C)(C)C(N1CC(O)CNc2ccccc2)=O)(CN(C(C)(C)C(N3CC(O)CNc4ccccc4)=O)C3=O)C1=O,0.0
38992,CO-ADD:0312107,4.26,c1(c(Cl)c(C)cc(F)c1F)C(=O)N2CCCCCC2,0.0
38993,CO-ADD:0311905,4.26,N(c1ccccc1)(CC2)CCN2CNC(=O)c3ccc(cc3)C,0.0
38994,CO-ADD:0303459,4.26,C(NCC=C)(=S)NNC(=O)c1cccc(OC)c1,0.0
38995,CO-ADD:0302604,4.26,C12=C(c3c(cccc3)CC14CCCCC4)N=C(SCC)NC2=O,0.0
38996,CO-ADD:0303830,4.26,S(NCCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F)(=O)(=O)c2ccc(cc2)Cl,0.0
38997,CO-ADD:0303518,4.26,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)OC(C)=O)cccc4,0.0
38998,CO-ADD:0303653,4.26,C(=C/c1c(O)ccc(cccc2)c12)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
38999,CO-ADD:0303040,4.26,c12c(cccn1)cccc2OCCNC(C)=O.Cl,0.0
39000,CO-ADD:0306771,4.26,C(C(OCCOCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c(OCc4ccccc4)c3)OC,0.0
39001,CO-ADD:0305508,4.26,c1(cc(C)c(cc1N(CC2)CCO2)N)[N+](=O)[O-],0.0
39002,CO-ADD:0306222,4.25,n1(C)cnnc1SCC(=O)Nc(ccc(c2F)F)c2,0.0
39003,CO-ADD:0306207,4.25,[N+](=O)([O-])c(cc1)cc(c1C(O)=O)N,0.0
39004,CO-ADD:0307422,4.25,N(c1c(S2)cccc1)(C3=N)C2=C(C=C3c4sc(c5n4)cccc5)C#N,0.0
39005,CO-ADD:0305844,4.25,c1(NC(COc(cc2)cc(c2[N+](=O)[O-])C)=O)sc(c3c1C(N)=O)CCCC3,0.0
39006,CO-ADD:0307091,4.25,c1(c(Br)cc(c(F)c1)N2CCCCC2)[N+](=O)[O-],0.0
39007,CO-ADD:0312203,4.25,C(=N/c1cccc(F)c1)(/SC(C(=O)Nc(cc2)ccc2OC)CC3=O)\N3C,0.0
39008,CO-ADD:0307277,4.25,n1(c2ccc(cc2F)F)nnnc1SCC(=O)Nc(ccc(c34)OCCO3)c4,0.0
39009,CO-ADD:0311651,4.25,S(=O)(=O)(c1cccc(c1)C(O)=O)N(CC2)CCN2C(c3ccccc3)=O,0.0
39010,CO-ADD:0311415,4.25,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\Nc(cc3)ccc3C,0.0
39011,CO-ADD:0307473,4.25,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cccc4C(F)(F)F)c4,0.0
39012,CO-ADD:0324581,4.25,[N+](=O)([O-])c1cccc(c1)C(N)CC(O)=O,0.0
39013,CO-ADD:0323732,4.25,n1c(SCCCCCCC)nnc(C)c1O,0.0
39014,CO-ADD:0323748,4.25,c12c(c3c(cc(cc3SCc4ccccc4)[N+](=O)[O-])s1)N=C(C)N(C)C2=O,0.0
39015,CO-ADD:0323908,4.25,C(C(=O)c1ccc(cc1)Cl)(C2c(cccn3)c3)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
39016,CO-ADD:0323733,4.25,C(=O)(NC(C)(C)C#N)c1ccco1,0.0
39017,CO-ADD:0323205,4.25,C(=O)(c1c(cccc1F)F)NC(=O)NC(CC2(C)C)CC(N2)(C)C,0.0
39018,CO-ADD:0324469,4.25,N1(\C(\C)=C/C(OCC)=O)C(c(cc2)ccc2[N+](=O)[O-])C(C3=N1)CCc(cc(OC)cc4)c34,0.0
39019,CO-ADD:0319542,4.25,N(=C1)c2c(ccc(cccc3)c23)Oc(cc(Oc4ccccc4)cc5Oc6ccccc6)c15,0.0
39020,CO-ADD:0319223,4.25,c1(NC(=O)C(C)Oc(cc2)ccc2F)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
39021,CO-ADD:0319607,4.25,c1(cc(ccc1NC(CC2(C)C)CC(N2)(C)C)C(F)(F)F)[N+](=O)[O-],0.0
39022,CO-ADD:0319432,4.25,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3Nc4ccccc4,0.0
39023,CO-ADD:0319081,4.25,S(=O)(=O)(N(C)C)c(cc1)ccc1C(=O)Nc(cc2OC)cc(c2OC)OC,0.0
39024,CO-ADD:0318684,4.25,c1(nonc1OC)NC(=O)C(OC)(F)C(F)(F)F,0.0
39025,CO-ADD:0318746,4.25,C(F)(F)(F)c1cccc(c1)OCC(=O)Nc2cccc(C)n2,0.0
39026,CO-ADD:0318863,4.25,c(c1c(cc2)ccn2)(C3c(cc4)ccn4)c([nH]n1)OC(N)=C3C#N,0.0
39027,CO-ADD:0326763,4.25,c(cn(n1)c2ccc(cc2)Cl)(c(c3ccco3)nnc4c5sc(c6n5)cccc6)c14,0.0
39028,CO-ADD:0326252,4.25,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)NC3CCCC3,0.0
39029,CO-ADD:0326550,4.25,n1(CN2CCCCC2)nnc(c3ccc(cc3)Br)n1,0.0
39030,CO-ADD:0326462,4.25,C1(C(=O)OC2CCCCCC2)=C(C)NC(=C3C1c4cccc(O)c4)CCCC3=O,0.0
39031,CO-ADD:0329862,4.25,C1(C(NCCc(c2c([nH]3)cccc2)c3C)=O)=Cc(cccc4OC)c4OC1=O,0.0
39032,CO-ADD:0329623,4.25,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)(=O)(=O)c3c(C)cc(cc3C)C,0.0
39033,CO-ADD:0329639,4.25,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)NC(c3ccc(cc3)OC)CC(OCC)=O)n2)Cc4ccccc4Cl,0.0
39034,CO-ADD:0326869,4.25,C(F)(F)(F)c(cccc1n2cccc2)c1,0.0
39035,CO-ADD:0326701,4.25,n(c1c(N)cc(c(C)c1)C)(c2C)c(C)c(c2C(C)=O)C(C)=O,0.0
39036,CO-ADD:0320157,4.25,C12=C(CCCC1=O)Nc(c3C2c4cc(OC)ccc4OC)ccc5c3ccc(n5)C,0.0
39037,CO-ADD:0323486,4.25,n1(c2ccccc2C)c(CNc(cc3)ccc3C)nnc1SCC(=O)c4ccc(cc4)C,0.0
39038,CO-ADD:0323566,4.25,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C(=O)c4cccc(Br)c4,0.0
39039,CO-ADD:0318848,4.25,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)Cl)=C(O)C(N2Cc(cccn4)c4)=O,0.0
39040,CO-ADD:0320034,4.25,C(\C=N\CCN(CC1)CCN1)(=C(c2ccc(cc2)OC)NN3c(cc4)ccc4[N+](=O)[O-])C3=O,0.0
39041,CO-ADD:0323413,4.25,c(NC(CSc1nnnn1c2ccc(c(Cl)c2)C)=O)(c(C(N)=O)nn3c4ccccc4)n3,0.0
39042,CO-ADD:0320900,4.25,N1(Cc(ccc(c23)OCO2)c3)\C(=N/c(cc4)ccc4F)\SC(C(=O)Nc5ccccc5)CC1=O,0.0
39043,CO-ADD:0305982,4.25,c12c(c3c(cccc3)OC1=O)nc(c4ccc(cc4)Cl)nc2NC(CC)=O,0.0
39044,CO-ADD:0307316,4.24,N(c1c(cccc1)NC(CC(c2ccc(cc2)F)CC3=O)=C34)(C(=O)c5ccc(c(Cl)c5)Cl)C4c(cc6)ccc6N(CC)CC,0.0
39045,CO-ADD:0306063,4.24,N1C(=O)C(C#N)C(C([n+]2ccccc2)C1=O)c3ccc(cc3)Cl.[Cl-],0.0
39046,CO-ADD:0306031,4.24,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1\C=C\c4ccccc4,0.0
39047,CO-ADD:0305654,4.24,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(Br)c3)C2c4ccccc4,0.0
39048,CO-ADD:0312608,4.24,c(ccc(CC1C(C2C(=O)O)C(=O)N(CC=C)C1)c23)c3,0.0
39049,CO-ADD:0302389,4.24,C(C#N)(C(CC(N1)=O)c2ccc(c(OC)c2)OCC)=C1SCC(=O)Nc3cccc(OC)c3,0.0
39050,CO-ADD:0304401,4.24,N1(c2ccccc2)C(=O)CSC13CCC(CC3)C,0.0
39051,CO-ADD:0303193,4.24,n(ncn1)(C2=O)c1NC(C)=C2Cc3ccccc3,0.0
39052,CO-ADD:0302382,4.24,C(=C(C)NC(=C1C#N)SCC(=O)Nc2c(OC)ccc(Cl)c2)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
39053,CO-ADD:0304002,4.24,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])C(F)(F)F,0.0
39054,CO-ADD:0301913,4.24,c1(NC(Cc(cc2)ccc2Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3,0.0
39055,CO-ADD:0306756,4.24,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(C)s4,0.0
39056,CO-ADD:0305815,4.24,c1(NC(COc(cc2C)cc(c2Cl)C)=O)sc(c(C)c1C(OC)=O)C,0.0
39057,CO-ADD:0312051,4.24,C(=C\c(cc(OCC)c(c1[N+](=O)[O-])O)c1)(/C(C)=NN2c(cc3)ccc3S(N)(=O)=O)\C2=O,0.0
39058,CO-ADD:0311692,4.24,C(=C/c(cc1OC)cc(c1O)I)(/C(=O)NN2c3ccc(cc3)F)\C2=O,0.0
39059,CO-ADD:0311823,4.24,C1(C2c(cc(OCC)c(c3[N+](=O)[O-])O)c3)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
39060,CO-ADD:0307651,4.24,C1(c2sccc2C)N(CCN1Cc(cc3)ccc3Cl)Cc(cc4)ccc4Cl,0.0
39061,CO-ADD:0311480,4.24,c12c(n(cn1)CC(O)C\N=C\N(CC3)CCO3)C(N(C)C(=O)N2C)=O.Cl,0.0
39062,CO-ADD:0306997,4.24,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)OCC)c24,0.0
39063,CO-ADD:0310999,4.24,C12(OC(C)=O)C(CC(C)O1)=C(c(ccc(OC(CC)=O)c3)c3O2)C,0.0
39064,CO-ADD:0311525,4.24,N1(C(c2ccccc2)=O)C(=S)N=C(C=CC(Br)=C3)N13,0.0
39065,CO-ADD:0311784,4.24,C(=O)(NN(c1ccccc1Cl)C(c2ccccc2)=O)C(O)(c3ccccc3OC)c4ccccc4OC,0.0
39066,CO-ADD:0311398,4.24,N1(CCc(c23)cccc2)C3CN\C(=C\C(c4ccccc4)=O)\C1=O,0.0
39067,CO-ADD:0323253,4.24,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(c4cccc(OC)c4)cc(n1)C(F)(F)F,0.0
39068,CO-ADD:0323126,4.24,S(=O)(=O)(N(C)Cc1ccccc1)c2ccc(c3c2cccn3)OC,0.0
39069,CO-ADD:0324279,4.24,n1(c2ccccc2)nnnc1SCC(=O)Nc(cc3)ccc3OC(F)(Cl)F,0.0
39070,CO-ADD:0321068,4.24,C(C(OC)=O)(=CN(CCC(C1)(CC(CC12)CC3C2)C3)C=C4C(OC)=O)C4c5ccc(cc5)Cl,0.0
39071,CO-ADD:0321256,4.24,N1(CCCCCC(=O)Nc2nonc2OC)C(=O)c(c3C1=O)cccc3,0.0
39072,CO-ADD:0323777,4.24,n1(C)c2c(c(C)c1C)cc(cc2)N\C=C(/C(OCC)=O)\C(OCC)=O,0.0
39073,CO-ADD:0318782,4.24,c1(NC(COc(cccc2C(F)(F)F)c2)=O)sc(c3c1C#N)CCC3,0.0
39074,CO-ADD:0329443,4.24,S1(CCC(C1)OC(=O)NC(c2ccccc2)=O)(=O)=O,0.0
39075,CO-ADD:0330051,4.24,c12c(CC(C)O1)c(C)c(c3n2)cccc3C,0.0
39076,CO-ADD:0329636,4.24,n1c(c2ccc(cc2)SC)nnn1CC(NCCc(ccc(c3OCC)OCC)c3)=O,0.0
39077,CO-ADD:0329460,4.24,n1(C(C)=O)c(C)c(c(C)c1C(OCC)=O)NC(C)=O,0.0
39078,CO-ADD:0329468,4.24,N1(C2CC(C=C2)C1(C(OC)=O)C(F)(F)F)S(c3ccccc3)(=O)=O,0.0
39079,CO-ADD:0326539,4.24,C1(N2CCCCC2)=NC(N3CCCCC3)=NC(=NNC4=O)N14,0.0
39080,CO-ADD:0326571,4.24,N1(c2c(C(CN(C)CC3)C13)cc(C)cc2)S(=O)(=O)c(cc4)ccc4S(=O)(=O)N(CC5)CCO5,0.0
39081,CO-ADD:0326067,4.24,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccccc4,0.0
39082,CO-ADD:0326451,4.24,c1(C(OC)=O)oc(c2c1NC(Cc(ccc(c3OCC)OCC)c3)=O)ccc(OC)c2,0.0
39083,CO-ADD:0325950,4.24,c1(NC(=O)C2CC(OC23CCCCC3)=O)sc(c4c1C#N)CCCCC4,0.0
39084,CO-ADD:0319936,4.24,C1(c2cccc(N)c2)OC(C(C)(C)O1)(C)C,0.0
39085,CO-ADD:0320812,4.24,C(=O)(NC1CCCCCCCCCCC1)c(c2)cc(cn2)Br,0.0
39086,CO-ADD:0320852,4.24,[N+](=O)([O-])c(cc1)cc(c1C(OC)=O)N,0.0
39087,CO-ADD:0321454,4.24,N1(CCc(c2c([nH]3)cccc2)c3C)C(C)(O)C(OC1=O)(CC4(C)C)CC(N4)(C)C,0.0
39088,CO-ADD:0320721,4.24,c(c1c(s2)CCCC1)(C3=O)c2N=C(CC)N3c4cccc(C)c4,0.0
39089,CO-ADD:0320777,4.24,C(C(OC)=O)(=C(C)NC(=C1C(OC)=O)C)C1c(occ2c3ccc(cc3Cl)Cl)c2,0.0
39090,CO-ADD:0320977,4.24,c1(N(CC2)CCN2C34CC(CC5C3)CC(C5)C4)nc(NC)nc(Nc(cc6)ccc6OC(F)(F)F)n1,0.0
39091,CO-ADD:0305501,4.24,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccccc2)Cl,0.0
39092,CO-ADD:0312519,4.24,[C@@]12(O[C@]3([C@@H](C1)CN(S(=O)(=O)c4ccc(NC(C)=O)cc4)C3)C=C2)C,0.0
39093,CO-ADD:0307241,4.23,c1(C2c3ccc(cc3)OCc(cc4)ccc4F)c([nH]nc1c(ccc(c56)OCO5)c6)OC(N)=C2C#N,0.0
39094,CO-ADD:0305437,4.23,C(=C\c(ccc1c(cccc2[N+](=O)[O-])c2)o1)(/C(=O)OC3(O4)CCCC3)\C4=O,0.0
39095,CO-ADD:0312083,4.23,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C/c(ccc(c3Cl)Cl)c3OC,0.0
39096,CO-ADD:0311426,4.23,n1(c2cccc(cccc3)c23)c(COc4ccc(cc4Cl)Cl)nnc1S,0.0
39097,CO-ADD:0303274,4.23,N1(C(C)(C)C)C(c2ccc(c3c2)OCO3)N(N=C1C(C)=O)c4ccccc4,0.0
39098,CO-ADD:0301806,4.23,c12c(cc(Br)c(cccc3)c13)C(CC(=O)N2)c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
39099,CO-ADD:0302947,4.23,N(C(C)=O)(N1C)C(c2ccc(c3c2)OCO3)N(N=C1C(C)=O)c4ccc(cc4)Cl,0.0
39100,CO-ADD:0301367,4.23,c1(c(ccc(C(OCC)=O)c1)N\N=C(/C)\c2ccc(cc2)Cl)[N+](=O)[O-],0.0
39101,CO-ADD:0301350,4.23,n1c(N(CC)c2ccccc2)c(Nc(cc3)ccc3OC)nc(non4)c14,0.0
39102,CO-ADD:0304092,4.23,C(=C/c1cc(Br)cc(Br)c1O)(/C2=O)\c3c(O2)ccc4c3OC(=O)C=C4C,0.0
39103,CO-ADD:0312199,4.23,C(C(OC)=O)(C(F)(F)F)(Nc1scc(C2CC2)n1)NC(=O)c3ccc(cc3)OC,0.0
39104,CO-ADD:0311808,4.23,C(C(OCC)=O)(NC(CCCC)=O)(C(F)(F)F)Nc1sccn1,0.0
39105,CO-ADD:0311824,4.23,c(c1C(C)C)(C2c(cc(OCC)c(c3[N+](=O)[O-])O)c3)c([nH]n1)OC(N)=C2C#N,0.0
39106,CO-ADD:0311638,4.23,N1(c2ccccc2OC)C(c3ccc(cc3)C)=CC(=O)C1(O)CC(OC)=O,0.0
39107,CO-ADD:0307276,4.23,c12c(non1)NC(=CC(c3ccccc3)=N2)c4ccccc4,0.0
39108,CO-ADD:0310836,4.23,n1c(N)[nH]nc1SC(c2ccccc2)c3ccccc3,0.0
39109,CO-ADD:0311356,4.23,N1(c2ccccc2)C(=O)C(C(C)C)=C(N=C1SCCN(CC)CC)O.Cl,0.0
39110,CO-ADD:0312401,4.23,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(CC)s4,0.0
39111,CO-ADD:0305892,4.23,c1(NC(COc2cccc(Br)c2)=O)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
39112,CO-ADD:0312023,4.23,c12c(n(cn1)CCC\N=C(/CCC3)\N3)C(N(C)C(=O)N2C)=O.Cl,0.0
39113,CO-ADD:0306118,4.23,N(CC1)(CCN1c2ccc(cc2F)C(CC)=O)C(CCC)=O,0.0
39114,CO-ADD:0306806,4.23,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c3ccc(cc3OC)OC,0.0
39115,CO-ADD:0324035,4.23,n1c(O)cc(nc1SCC(=O)Nc2ncccn2)CCC,0.0
39116,CO-ADD:0321009,4.23,C(=O)(Nc(cc1)ccc1OCc2ccccc2)C3(CCCC3)c4ccccc4,0.0
39117,CO-ADD:0324685,4.23,c12c(c3c(cccc3)[nH]1)nnc(SCc4ccc(cc4Cl)F)n2,0.0
39118,CO-ADD:0319227,4.23,c1(NC(COc(cc2)ccc2F)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
39119,CO-ADD:0323832,4.23,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3c(OC)ccc(Br)c3,0.0
39120,CO-ADD:0324618,4.23,C(C(C)=O)(C1c2ccc(cc2)F)=C(O)C(N1c3cccc(OCCCCCC)c3)=O,0.0
39121,CO-ADD:0323083,4.23,c1(c2ccccc2Cl)noc(C)c1C(=O)NCC(C3)(C4)CC(CC4CC35)C5,0.0
39122,CO-ADD:0321067,4.23,C(C(OC)=O)(=CN(CCC(C1)(CC(C2)CC3CC12)C3)C=C4C(OC)=O)C4c(cc5OC)cc(c5OC)OC,0.0
39123,CO-ADD:0332375,4.23,s1c(C)nnc1SCCC(=O)Nc(cc2)ccc2OC,0.0
39124,CO-ADD:0331943,4.23,S(=O)(=O)(c(cc1)ccc1C(C)C)N(CC2)CCN2c3cccc(Cl)c3,0.0
39125,CO-ADD:0332480,4.23,N1\C(=N/N=C(\C)/c(cc2)ccc2C3CCCCC3)\SC(CC(O)=O)C1=O,0.0
39126,CO-ADD:0332496,4.23,N(C(=O)\C(\S1)=C/c2ccccc2)=C1N(CC3)CCN3CC,0.0
39127,CO-ADD:0330776,4.23,n1(O)c(C(C)=O)c(nc1c(ccc(c2[N+](=O)[O-])OC)c2)C,0.0
39128,CO-ADD:0330737,4.23,c(C(F)(F)F)(c1c(n2CC(=O)N(C)c3ccc(cc3)OC(F)(F)Cl)CCCC1)n2,0.0
39129,CO-ADD:0331282,4.23,C(CCC#N)(CCC#N)(C(OC)=O)C(OC)=O,0.0
39130,CO-ADD:0330715,4.23,c12c(cc(OC)c(OC)c1)NC(CC2c3cccc(OC)c3OC)=O,0.0
39131,CO-ADD:0332102,4.23,S(=O)(=O)(N1CCC(CC1)C(N)=O)c2c(OC)ccc(OC)c2,0.0
39132,CO-ADD:0331678,4.22,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc2C(=O)N(CC4)CCN4C56CC(CC7C5)CC(C7)C6,0.0
39133,CO-ADD:0331153,4.22,n(CCc1ccccc1)(c2c(n3)cccc2)c3CCCO,0.0
39134,CO-ADD:0331273,4.22,c1(N(c2ccccc2)c3ccccc3)nc(SCC(OCCCCCCCCC)=O)nc(SCC(OCCCCCCCCC)=O)n1,0.0
39135,CO-ADD:0331602,4.22,C(C(OC)=O)(=CN(CCC(CC(CC1C2)CC23)(C3)C1)C=C4C(OC)=O)C4c5ccc(c(Cl)c5)Cl,0.0
39136,CO-ADD:0332420,4.22,C1(C(F)(F)F)(C(F)(F)F)N=C(C)N(C2=N1)C=C(C=C2Cl)Cl,0.0
39137,CO-ADD:0331233,4.22,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(NCCc(c(cccc2)c2n3C)c3C)=O)Cl)c1,0.0
39138,CO-ADD:0331249,4.22,C12(OC(C(C(N3c4ccc(cc4)OC)=O)C1C3=O)c5ccccc5Br)C(=O)c(c6C2=O)cccc6,0.0
39139,CO-ADD:0332060,4.22,C1(=Cc(cccc2OC)c2OC1=O)C(=O)NC(c(cccc3[N+](=O)[O-])c3)CC(OCC)=O,0.0
39140,CO-ADD:0332594,4.22,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCN4c5ccc(cc5[N+](=O)[O-])C(F)(F)F,0.0
39141,CO-ADD:0332624,4.22,C(C(=O)OC1CCCC1)(C2c3ccc(cc3)OC(C)=O)=C(C)NC(CC(c4cccs4)CC5=O)=C25,0.0
39142,CO-ADD:0332273,4.22,C(/S\C(\C1=O)=C/c(cc2)ccc2N(C)C)(=C(\C#N)/S(c3ccccc3)(=O)=O)\N1c4cc(C)ccc4C,0.0
39143,CO-ADD:0331785,4.22,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(=O)OC6CCCC6,0.0
39144,CO-ADD:0331530,4.22,n1(c(ccc2C(I)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nnn1)n2,0.0
39145,CO-ADD:0331860,4.22,N1C(=O)\C(\NC1=S)=C/c2cc(cccc3C)c3nc2N4CCCCC4,0.0
39146,CO-ADD:0331934,4.22,S(c1ccccc1)(=O)(=O)N(CC2)CCN2C(=O)c3cccc(C)c3,0.0
39147,CO-ADD:0331386,4.22,n1c2c([nH]c1COc3ccc(cc3Cl)Cl)cccc2,0.0
39148,CO-ADD:0331330,4.22,C1(C(F)(F)F)(NC(c(cc2)ccn2)=O)C(=O)N(C(=O)N1)Cc3ccco3,0.0
39149,CO-ADD:0331867,4.22,c1([nH]c(c2n1)cccc2)C(O)(C(F)(F)F)c3ccc(cc3O)C,0.0
39150,CO-ADD:0332379,4.22,c(c1c(s2)CCCC1)(C3=O)c2N=C(C)N3NC(=O)c4ccc(cc4)C,0.0
39151,CO-ADD:0331972,4.22,c(c1N)(sc2c1cc3c(CCC(C(C)(C)C)C3)n2)C(=O)N(c4ccccc4)c5ccccc5,0.0
39152,CO-ADD:0332476,4.22,N1(NC(=O)c2ccc(cc2)Br)C(c(cc3)ccc3N(C)C)Nc(c4C1=O)cccc4,0.0
39153,CO-ADD:0332385,4.22,c1(Nc2ccccc2)nc(OC)nc(Cl)n1,0.0
39154,CO-ADD:0331184,4.22,c1(Cc2ccccc2)nc(c3n1CCC(C)C)cccc3,0.0
39155,CO-ADD:0331781,4.22,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(OCCOCC)=O,0.0
39156,CO-ADD:0331854,4.22,S(=O)(=O)(c1ccc(cc1)Cl)Nc2nc(cccc3)c3nc2Nc(cc4)ccc4C(=O)OC(C)C,0.0
39157,CO-ADD:0330930,4.22,c1(sc2c3c(COC)cc(C)n2)c3N=NN(c4ccc(cc4)OC)C1=O,0.0
39158,CO-ADD:0331339,4.22,C1(C(F)(F)F)(C(F)(F)F)N=C(CCc2ccccc2)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
39159,CO-ADD:0331363,4.22,N1(C(C)=C(C(OCC)=O)C(C(C#N)=C1N)c2ccccc2Cl)c3nonc3NC(C)=O,0.0
39160,CO-ADD:0331371,4.22,c1(C(=O)NC(c2ccc(cc2)OCC)CC(O)=O)c(Cl)c3c(cccc3)s1,0.0
39161,CO-ADD:0331513,4.22,[N+](=O)([O-])c1cccc(CNCCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)c1,0.0
39162,CO-ADD:0331212,4.22,n1(nnc(C(OCC)=O)c1CNc(cc2)ccc2Cl)c3nonc3N,0.0
39163,CO-ADD:0330840,4.22,c1(OC)nc(Cl)cc(C)c1C(=O)NCc(cc2)ccc2Cl,0.0
39164,CO-ADD:0330990,4.22,C1(NC(NCCc(ccc(c2OCC)OCC)c2)=O)c3c(cccc3)Oc(cccc4)c14,0.0
39165,CO-ADD:0331359,4.22,N1=C(Nc2nc(ccc(c3)OCC)c3c(C)n2)NC(CCC4)=C4C1=O,0.0
39166,CO-ADD:0332157,4.22,N1=C(N)SC(CC1=O)C(=O)Nc2cccc(cccc3)c23,0.0
39167,CO-ADD:0331570,4.22,N1(CCNC1=O)C(=O)Cc(cc2)ccc2OC,0.0
39168,CO-ADD:0331862,4.22,c1(N(C)c2ccccc2)nc(OC)nc(OCC(F)(F)F)n1,0.0
39169,CO-ADD:0332546,4.22,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4cccc(C)c4)[N+](=O)[O-],0.0
39170,CO-ADD:0331669,4.22,C(Nc(cc1)ccc1Oc2ccccc2)(C(OC)=O)(c(cc3OC)cc(c3O)OC)C(F)(F)F,0.0
39171,CO-ADD:0330824,4.22,c1(C(OCC)=O)sc(c2c1n3cccc3)nc(cc2c4ccccc4)c5ccccc5,0.0
39172,CO-ADD:0332492,4.22,n12c(S\C(=C/c3cc(Br)ccc3OC)\C1=O)nnc2c4ccccc4C,0.0
39173,CO-ADD:0332500,4.22,C(=O)(Nc1cccc(COC)c1)c2ccccc2OC,0.0
39174,CO-ADD:0332348,4.22,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=C/C(=O)Nc3ccccc3C)o2,0.0
39175,CO-ADD:0332380,4.22,c1(c(F)cc(c(Cl)c1)C#N)N(CC2)CCN2C(c3ccccc3)=O,0.0
39176,CO-ADD:0332183,4.22,C(C(=O)c1ccc(cc1)F)(C2c3ccc(cc3)CC)=C(O)C(N2CCCC(O)=O)=O,0.0
39177,CO-ADD:0331866,4.22,C(c(c1)cc(c(O)c1C)C)(C(F)(F)F)(C=C(N23)c4c(CC2(C)C)cccc4)C3=O,0.0
39178,CO-ADD:0330859,4.22,c(C(=O)Nc(cc1)ccc1OC(F)(Cl)F)(sc(c23)nc(cc2C(F)(F)F)c4cccs4)c3N,0.0
39179,CO-ADD:0331332,4.22,N1(C(C)CCc(cc(F)cc2)c12)C(=O)c3cc(OC)cc(OC)c3,0.0
39180,CO-ADD:0331444,4.22,C1(C(CCC(OC)=O)=O)=C(NCC=C)CC(C)(C)CC1=O,0.0
39181,CO-ADD:0330924,4.21,c1(C(=O)Nc(cccc2C(F)(F)F)c2)sc3c(c(COC)cc(C)n3)c1N,0.0
39182,CO-ADD:0332296,4.21,N(NC(=O)c1cccc(F)c1)(C(CC(=O)Nc2ccccc2F)C(N3CC)=O)C3=S,0.0
39183,CO-ADD:0332576,4.21,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)N(CC3)CCN3C(=O)c4ccco4,0.0
39184,CO-ADD:0332281,4.21,[N+](=O)([O-])c(cccc1C(=O)NC(c2ccc(c(OC)c2)OCC)CC(O)=O)c1,0.0
39185,CO-ADD:0332297,4.21,N(NC(=O)c1cccc(F)c1)(C(CC(=O)Nc2cccc(OCC)c2)C(N3CC)=O)C3=S,0.0
39186,CO-ADD:0331042,4.21,N1C(CCSC1=S)=S,0.0
39187,CO-ADD:0331074,4.21,c1(COc(cc2)ccc2Cl)n(C)c3c(cccc3)n1,0.0
39188,CO-ADD:0332171,4.21,[N+](=O)([O-])c1ccccc1C(=O)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
39189,CO-ADD:0332179,4.21,C(C(=O)c1cccs1)(C2c3ccccc3F)=C(O)C(N2CCCCCC(O)=O)=O,0.0
39190,CO-ADD:0332563,4.21,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1N(CC2)CCN2S(=O)(=O)c3ccc(cc3)Br,0.0
39191,CO-ADD:0332548,4.21,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4ccc(cc4)F)[N+](=O)[O-],0.0
39192,CO-ADD:0330844,4.21,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)N2CCC(CC2)C,0.0
39193,CO-ADD:0331277,4.21,c1(C(NCCCl)=O)sc2c(c(C)cc(C)n2)c1n3cccc3,0.0
39194,CO-ADD:0237058,4.21,CC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc12,0.0
39195,CO-ADD:0237294,4.21,Cc1nn(C)c(C)c1NS(=O)(=O)c2c(Cl)cc(cc2Cl)c3ccnc(c3)N4CCNCC4,0.0
39196,CO-ADD:0237375,4.21,O=C(NCCc1ccn(n1)c2ccccc2)C3CCCCC3,0.0
39197,CO-ADD:0237296,4.21,COc1cc(CN2CCC3(CC2)C=Cc4ccccc34)cc5OCOc15,0.0
39198,CO-ADD:0330932,4.21,c1(C#N)c(C)c(Cl)c(nc1SCC(=O)Nc2ccc(cc2Cl)Cl)C,0.0
39199,CO-ADD:0331992,4.21,C(=O)(N1CCC(CC1)C)c2ccccc2NC(=O)c3ccc(cc3)F,0.0
39200,CO-ADD:0330874,4.21,N(CC(OC)=O)(C(=O)c(c12)ccc(C(=O)c(c3C4=O)cccc3)c14)S2,0.0
39201,CO-ADD:0330754,4.21,C1(NCCNC1=O)(c(cc2C)cc(c2OC(C)=O)C)C(F)(F)F,0.0
39202,CO-ADD:0332099,4.21,S(=O)(=O)(c1ccc(c(OC)c1)Cl)N2CCC(CC2)C(N)=O,0.0
39203,CO-ADD:0330739,4.21,n1(n2)c(nc(cc1C(Cl)(F)F)c3cccs3)cc2C(=O)N(C)c4ccc(cc4)OC(F)(Cl)F,0.0
39204,CO-ADD:0331723,4.21,C1(=S)N(NC(=O)c2cccs2)C(C(=O)N1c(cc3)ccc3C(OCC)=O)CC(=O)Nc4ccccc4,0.0
39205,CO-ADD:0331439,4.21,C1(C(F)(F)F)(NC(=O)c2ccccc2OC)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
39206,CO-ADD:0331447,4.21,c1(c2ccc(c(OC)c2)OC)nc(c3n1CCC(C)C)cccc3,0.0
39207,CO-ADD:0330911,4.21,C(O)(C(OC)=O)(c1ccc(c(F)c1)O)C(F)(F)F,0.0
39208,CO-ADD:0330895,4.21,c(nc(c1ccccc1OC)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
39209,CO-ADD:0331424,4.21,c1(C(OCCC)=O)c(cc(oc(c2C(OCCC)=O)N)c2c3c4ccc(cc4)C)c3oc1N,0.0
39210,CO-ADD:0330729,4.21,c(nc(c1cccs1)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
39211,CO-ADD:0330974,4.21,C(=O)(Nc1ccccc1)N2CCCC2C(NCCc(c3c([nH]4)cccc3)c4C)=O,0.0
39212,CO-ADD:0330745,4.21,C(O)(C(OC)=O)(c1ccc(c(O)c1)O)C(F)(F)F,0.0
39213,CO-ADD:0331714,4.21,C1(C(F)(F)F)(C(F)(F)F)N=C(C2CCCCC2)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
39214,CO-ADD:0332038,4.21,n12c(c(c(c3ccc(cc3)Cl)c1C(=S)Nc(cc4)ccc4OCC)CCCC5)n5c(c6ccc(cc6)OC)n2,0.0
39215,CO-ADD:0332628,4.21,C1(C(OCCCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)OC)=O,0.0
39216,CO-ADD:0331888,4.21,S(=O)(=O)(c1ccc(cc1)OC)N(CC2)CCN2c3cccc(C)c3C,0.0
39217,CO-ADD:0331904,4.21,S(=O)(=O)(c1cccc(cccc2)c12)N(CC3)CCN3c4ccc(c(Cl)c4)Cl,0.0
39218,CO-ADD:0332474,4.21,N1(CCC(=O)C(=[N+]=[N-])C(=O)\C=C(/O)\c2ccccc2)C(=O)c3c(cccc3)C1=O,0.0
39219,CO-ADD:0331194,4.21,C12(CC(CC3C1)CC(C3)C2)C(CC)NC(=O)c(cc4)ccc4C(=O)c5cc(OC)ccc5OC,0.0
39220,CO-ADD:0331242,4.21,C(/[N+](=O)[O-])(\C(\Cl)=C(\Cl)/Cl)=C(\c1c2ccc(C)c1)/N2,0.0
39221,CO-ADD:0331651,4.21,c1(c(c(cc(C)n1)C)c(n2)O)n2C(C)C,0.0
39222,CO-ADD:0332162,4.21,C(=O)(C(C)Oc1ccc(cc1C)Cl)Nc(cc2)ccc2CC#N,0.0
39223,CO-ADD:0332311,4.2,C(Nc1c(OC)ccc(OC)c1)(OC(C)=CC2=O)=C2C(C)=O,0.0
39224,CO-ADD:0332239,4.2,c1(C(NCCc(ccc(c2OCC)OCC)c2)=O)cc(OCO3)c3cc1[N+](=O)[O-],0.0
39225,CO-ADD:0331775,4.2,C(C(OCCOCC)=O)(C1c2ccc(cc2)Cl)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
39226,CO-ADD:0332304,4.2,C1(=S)N(NC(=O)c2cccc(F)c2)C(C(=O)N1c(cc3)ccc3C(OCC)=O)CC(=O)Nc(cc4)ccc4OC,0.0
39227,CO-ADD:0332053,4.2,n12c(nc(cc1C(F)(F)F)c3ccccc3)cc(C(=O)NCC(CC(CC4C5)CC56)(C6)C4)n2,0.0
39228,CO-ADD:0331941,4.2,C1(C(=O)NC(C)(CC)C#C)=Cc2c(OC1=O)ccc(cccc3)c23,0.0
39229,CO-ADD:0332494,4.2,N(CN1CCC(CC1)Cc2ccccc2)(N=C(N3c4ccccc4)c5ccc(cc5)C)C3=S,0.0
39230,CO-ADD:0332366,4.2,C(CC(C)(C)CC1=O)(NC(Cc2ccccc2)C(O)=O)=C1,0.0
39231,CO-ADD:0331918,4.2,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N(CC3)CCN3c4ccc(c(C)c4)C,0.0
39232,CO-ADD:0332116,4.2,C1(=Cc(c2)c(OC1=O)ccc2[N+](=O)[O-])C(=O)Nc3c(C)ccc(Cl)c3,0.0
39233,CO-ADD:0331222,4.2,c1(c2ccccc2Cl)nnn(CC(NCCc(ccc(c3OC)OC)c3)=O)n1,0.0
39234,CO-ADD:0331479,4.2,N12c(c(CCC1)ccc3)c3C(=O)C2=O,0.0
39235,CO-ADD:0332440,4.2,C(C(=O)c1cccs1)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2c4ccccc4)=O,0.0
39236,CO-ADD:0331985,4.2,C(=O)(c1ccccc1NC(=O)c2ccc(cc2)Br)N3CCCCC3C,0.0
39237,CO-ADD:0332529,4.2,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4cccc(OC)c4,0.0
39238,CO-ADD:0332077,4.2,S(=O)(=O)(Nc(cc1)ccc1OCC(O)=O)c2c(C)c(C)cc(C)c2C,0.0
39239,CO-ADD:0331037,4.2,N12C(SC(C(OC)=O)=C1C)=NC(C(F)(F)F)=C(C#N)C2=N,0.0
39240,CO-ADD:0332109,4.2,C1(C(NCCOC(CC(CC23)CC4C2)(C3)C4)=O)=Cc5c(OC1=O)ccc(OC)c5,0.0
39241,CO-ADD:0331064,4.2,C(/C1(C)C)(\C(=O)C(O1)(C)C)=C\c2c(cccc2Cl)Cl,0.0
39243,CO-ADD:0331080,4.2,n1(C(C)c2ccccc2)c3c(nc1COc(cc4)ccc4Cl)cccc3,0.0
39244,CO-ADD:0331499,4.2,C(=C/c(ccc1c2ccc(cc2)OC(F)(F)F)o1)(/C(=O)NN3c4ccccc4)\C3=O,0.0
39245,CO-ADD:0331251,4.2,C(=O)(N(C)C(CC1)CCN1C)c2ccccc2F.Cl,0.0
39246,CO-ADD:0331588,4.2,c(NC(c1ccco1)CC2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
39247,CO-ADD:0331159,4.2,c1(COc2ccccc2)n(CC)c3c(cccc3)n1,0.0
39248,CO-ADD:0331551,4.2,n12c(nc(cc1C(F)(F)F)c3ccc(c(OC)c3)OC)cc(C(=O)NC(C)(CC)C#C)n2,0.0
39249,CO-ADD:0331564,4.2,n1(c2c(cccc2)CNC3c4cccc(Cl)c4)c3ccc1.Cl,0.0
39250,CO-ADD:0331109,4.2,S(=O)(=O)(c1ccc(cc1)Cl)N(Cc2ccccc2F)CC(N)=O,0.0
39251,CO-ADD:0331549,4.2,c([N+](=O)[O-])(c(C)nn1CC(=O)NCC(CC(CC2C3)CC34)(C4)C2)c1C,0.0
39252,CO-ADD:0331663,4.2,c1(c(C)n[nH]c1O)C(c(cc2OCC)cc(c2OC)Br)c3c(C)n[nH]c3O,0.0
39253,CO-ADD:0331496,4.2,N1(c2c(cccc2)Sc(ccc(c3)C(F)(F)F)c13)C(=O)C(c4ccccc4)OC(C)=O,0.0
39254,CO-ADD:0331520,4.2,c1(ccccc1F)C(=O)NCC2(CCCC2)c3ccccc3,0.0
39255,CO-ADD:0157552,4.2,N#CC(C(C(F)(F)F)=C1)=C(SCC(C2=CC=C(Cl)C=C2)=O)N=C1C3=CC=CS3,0.0
39256,CO-ADD:0158042,4.2,FC(F)(F)C1=C(C2=CC=CC=C2)SC(/N=C/C3=CC=C(OC)C=C3)=N1,0.0
39257,CO-ADD:0157936,4.2,N#CC1=C(OCC(N/N=C/C2=CC=C(C=C2)OC(C3=CC(C)=CC=C3)=O)=O)N=C(C)C=C1C,0.0
39258,CO-ADD:0159742,4.2,O=C(N1CC2=CC=C(C=C2)[N+]([O-])=O)N(CC3=CC=C(C=C3)[N+]([O-])=O)C(C4=C1C=CC=C4)=O,0.0
39259,CO-ADD:0160059,4.2,ClC1=CN2C(/N=C/C3=CC=C(Br)C=C3)=C(C4=CC=CO4)N=C2C=C1,0.0
39260,CO-ADD:0160422,4.2,O=C(C1=CC=CC(C)=C1)NC2=CC=C(C=C2)C(N/N=C/C3=CC=CO3)=O,0.0
39261,CO-ADD:0159929,4.2,O=C(N/N=C/C1=CC(OCC)=C(O)C=C1)N/N=C/C2=CC(OCC)=C(O)C=C2,0.0
39262,CO-ADD:0159953,4.2,[O-][N+](C1=CC=CC=C1/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCCCC4)=N2)=O,0.0
39263,CO-ADD:0160140,4.2,ClC1=CC=C(C=C1)C2N(C(C=C3)=CC=C3C)CCN2C4=CC=C(C)C=C4,0.0
39264,CO-ADD:0158657,4.2,O=C(S/1)N(CNC2=CC=C(C(Cl)=C2)C)C(C1=C/C3=CC=CC=C3)=O,0.0
39265,CO-ADD:0158636,4.2,O=C(C1=CC=C(C)C=C1)OC(C=C2)=C(C3CCCCC3)C=C2OC(C(C=C4)=CC=C4C)=O,0.0
39266,CO-ADD:0155552,4.2,O=C(C(C=C1)=CC=C1F)/C=C/C2=CC3=C(C=C2)N(CC)C4=C3C=CC=C4,0.0
39267,CO-ADD:0156391,4.2,[O-][N+](C1=CC(/C(N2CCOCC2)=N/OC(C)=O)=CC=C1)=O,0.0
39268,CO-ADD:0156215,4.2,OC1=C(C=CC=C1)C2NC3=CC=CC=C3C(CC)(CC)O2,0.0
39269,CO-ADD:0155463,4.2,O=C(N(N=C1C)C(C=C2)=CC=C2C)C1C(C3=CC=CC=C3Cl)C4C(N(N=C4C)C5=CC=C(C)C=C5)=O,0.0
39270,CO-ADD:0155176,4.19,O=C(NC(C=C1)=CC=C1OC2=CC=C(C=C2)C(NC3=CC=C(C(C)=C3)C)=O)C4=CC(C)=C(C)C=C4,0.0
39271,CO-ADD:0155856,4.19,O=C(CCCCCC(C1=CC=CC=C1)=O)O,0.0
39272,CO-ADD:0154792,4.19,O=C(CCC(O)=O)NCCCCC1=CC=CC=C1,0.0
39273,CO-ADD:0162633,4.19,C12(c3c(NC1=O)cccc3)C4=C(CC(C)(C)CC4=O)OC(N)=C2C(OCCOC)=O,0.0
39274,CO-ADD:0162598,4.19,C(C(OCC)=O)(C1c2ccc(cc2)SC)=C(CSc3nc(C)c(c(C)c3C#N)C)OC(N)=C1C#N,0.0
39275,CO-ADD:0162848,4.19,c1(N(c2ccccc2)c3ccccc3)nc(N\N=C\c(cccc4OCc5ccccc5)c4)nc(N\N=C\c(cccc6OCc7ccccc7)c6)n1,0.0
39276,CO-ADD:0162912,4.19,c1(O)cc(O)ccc1\C=N\CCSCCCCCCCCCCCCCCCCCC,0.0
39277,CO-ADD:0162882,4.19,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(\C)/CC(=O)Nc(cc2)ccc2OCC,0.0
39278,CO-ADD:0162119,4.19,c1(sc(c2n1)cccc2)Sc3ccc(\C=N\c(cc4)ccc4N(CC)CC)o3,0.0
39279,CO-ADD:0163793,4.19,N(/c(cc1)ccc1OC)=C\c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
39280,CO-ADD:0162354,4.19,C(=O)(c1ccc(cc1)NC(CCCCC)=O)N(CC2)CCO2,0.0
39281,CO-ADD:0159787,4.19,O=C(N/N=C/C1=CC=C(C(OC)=C1)OC)C2=CC(F)=CC=C2,0.0
39282,CO-ADD:0160094,4.19,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCC(N/N=C(CC)/C3=CC=CC=C3)=O,0.0
39283,CO-ADD:0161299,4.19,n(c1c(CCCCCC1)cc2C#N)c2SCC(=O)Nc(cccc3C(F)(F)F)c3,0.0
39284,CO-ADD:0161603,4.19,N(\C(=C/c(ccc1c(cccc2[N+](=O)[O-])c2)o1)\C(O3)=O)=C3c4cccc(I)c4,0.0
39285,CO-ADD:0160228,4.19,O=C(CSC1=CC=CC=C1)N/N=C/C2=CC=C3C=CC=CC3=C2,0.0
39286,CO-ADD:0158524,4.19,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C(C)/C2=CC=CO2,0.0
39287,CO-ADD:0158556,4.19,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=C(Cl)C=C(Cl)C=C3)=NC(N4CCCCC4)=N2)=O,0.0
39288,CO-ADD:0158588,4.19,O=C(N/N=C/C1=CC=C(C(Br)=C1)OC)COC(C(Br)=C2)=C(Br)C=C2C,0.0
39289,CO-ADD:0155622,4.19,[O-][N+](C1=CC=CC(C(NC2=C(C(OCC)=O)C(C)=C(C)S2)=O)=C1C(O)=O)=O,0.0
39290,CO-ADD:0154958,4.19,O=C(N)CCCCC(OCCCC1=CC=CS1)=O,0.0
39291,CO-ADD:0154782,4.19,O=S(C(C=C1)=CC=C1C(OC2=CC(NC(C3=CC=CC=C3)=O)=CC=C2)=O)(C4=CC=CC=C4)=O,0.0
39292,CO-ADD:0155656,4.19,FC1(F)C(C(NC2=NC=CC=C2C)=O)(F)C(C(F)(F)C(F)(F)C1(F)F)(F)F,0.0
39293,CO-ADD:0155936,4.19,O=C(SC1NC(C=C2)=CC=C2NC(C)=O)N(C3=CC=CC=C3)C1=O,0.0
39294,CO-ADD:0155368,4.19,O=C(C1=CC=CO1)NC2=C(C(OCC)=O)C(C)=C(C)S2,0.0
39295,CO-ADD:0162606,4.19,C(C(OCC)=O)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3ccccc3Cl,0.0
39296,CO-ADD:0162440,4.19,N(\C(=C/c(cc1)ccc1C(C)C)\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
39297,CO-ADD:0162141,4.19,N(C1CCCCC1)(COc(c23)ccc(Cl)c2)C3,0.0
39298,CO-ADD:0162765,4.19,N(=C(/C)\c(cc1)ccc1c2ccccc2)/N(c3ccccc3)Cc4ccccc4,0.0
39299,CO-ADD:0162820,4.19,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)F)Nc2cccc(Cl)c2C,0.0
39300,CO-ADD:0162828,4.19,c1(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c(OC)ccc(cccc3)c13,0.0
39301,CO-ADD:0162453,4.19,N(CC1)(CCN1C(=O)COc(cc2)ccc2C)C(OCC)=O,0.0
39302,CO-ADD:0163812,4.19,C12(CC(CC(C3)C1)CC3C2)C(=O)N\N=C(/CCC)\c4ccc(cc4)F,0.0
39303,CO-ADD:0163860,4.19,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NCC(=O)NCC(=O)N\N=C(/C)\C,0.0
39304,CO-ADD:0158058,4.19,[O-][N+](C1=CC=C(/C=N/NC(COC2=CC=CC=C2C)=O)S1)=O,0.0
39305,CO-ADD:0157418,4.19,[O-][N+](C(C=C1[N+]([O-])=O)=C(C=C1)N/N=C(COC(C2=CC=CC(C)=C2)=O)\C3=CC=C(Br)C=C3)=O,0.0
39306,CO-ADD:0157687,4.19,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC3=C(OC)C=CC(OC)=C3,0.0
39307,CO-ADD:0157651,4.19,N#CC1=C(SCC(CC(OCC)=O)=O)N=C(C2=CC=CS2)C=C1C(C=C3)=CC=C3Cl,0.0
39308,CO-ADD:0159878,4.19,O=S(NC1=NC=CS1)(C(C=C2)=CC=C2NC(C3=CC=CC=C3)=O)=O,0.0
39309,CO-ADD:0159875,4.19,O=C(NCCC)C1=NN2C(N=CC(Br)=C2)=N1,0.0
39310,CO-ADD:0160428,4.19,FC(C(NC1=CC=C(C=C1)C(N(CC)CC)=O)=O)(C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F,0.0
39311,CO-ADD:0160533,4.19,O=C(N/N=C/C1=C(OC)C(I)=CC(I)=C1)/C(NC(C2=CC=CC=C2)=O)=C/C3=CC=CS3,0.0
39312,CO-ADD:0160636,4.19,O=C(OCC(C1=CC=C(Cl)C=C1)=O)C2=CC=CC(C)=C2,0.0
39313,CO-ADD:0155951,4.19,O=C(C1=CC(OC)=C(OC)C=C1)NC2=CC3=C(C=C2)N(CC)C4=C3C=CC=C4,0.0
39314,CO-ADD:0155983,4.19,O=C1C(C2(CCCCC2)CC3=C4C=CC=C3)=C4N=CN1N,0.0
39315,CO-ADD:0154979,4.19,N#CC(C(C(F)(F)F)=C1)=C(SCC(OCC)=O)N=C1C2=CC=CS2,0.0
39316,CO-ADD:0158667,4.19,[O-][N+](C1=CC(C=O)=C(C=C1)N(CC(C)C)CC(C)C)=O,0.0
39317,CO-ADD:0155136,4.19,O=C(N/N=C/C1=CC=C(OCC)C=C1)C2=CC(C)=NN2,0.0
39318,CO-ADD:0155464,4.19,N#CC1=CC=C(CC(C)C)N=C1SCC(C2=CC=C(C=C2)[N+]([O-])=O)=O,0.0
39319,CO-ADD:0155131,4.19,O=C(C1=CC=NC=C1)N/N=C\C2=CN(CC3=CC=CC=C3)C4=C2C=CC=C4,0.0
39320,CO-ADD:0155868,4.19,O=C(C1=CC(C2=NC(C=CC=C3)=C3O2)=CC=C41)N(C5=CC=CC=C5)C4=O,0.0
39321,CO-ADD:0162276,4.19,N(\C(=C/c(ccc(c12)cccc1)c2)\C(O3)=O)=C3c4ccc(cc4)C,0.0
39322,CO-ADD:0162661,4.19,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC(=O)CC(OC(C)C)=O)c3cccs3,0.0
39323,CO-ADD:0162233,4.19,c1(N(CC2)CCN2C)nc(N\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])Br)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
39324,CO-ADD:0162333,4.19,C(COc1ccc(cc1Br)C)(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
39325,CO-ADD:0162630,4.19,C12(c3c(NC1=O)cccc3)C4=C(CCCC4=O)OC(N)=C2C(OCC)=O,0.0
39326,CO-ADD:0162722,4.18,C(=O)(Nc1ccccc1I)c2ccccc2Br,0.0
39327,CO-ADD:0161964,4.18,C(CNc(cc1)ccc1C)(=O)N\N=C\c2ccccc2O,0.0
39328,CO-ADD:0161684,4.18,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(Cc3ccccc3)=O,0.0
39329,CO-ADD:0161980,4.18,C(=O)(c1ccc(cc1)NC(C)=O)Nc(cc2)ccc2C,0.0
39330,CO-ADD:0163884,4.18,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)Nc4cccc(C)c4,0.0
39331,CO-ADD:0163148,4.18,C(=O)(NCC(=O)N\N=C\c(ccc(c1OC)OC)c1)c2ccco2,0.0
39332,CO-ADD:0163259,4.18,c1(S)nc(C)cc(C)n1.Cl,0.0
39333,CO-ADD:0158436,4.18,O=C(C(C=C1)=CC=C1NC(C2=CC=CC=C2C)=O)N(C3=CC=CC=C3)C4=CC=CC=C4,0.0
39334,CO-ADD:0157740,4.18,O=C(C1=CC([N+]([O-])=O)=CC=C21)N(C3=CC=C(I)C=C3)C2=O,0.0
39335,CO-ADD:0156911,4.18,N1(/N=C/C2=CC=C(SC3=C4N=CC=CC4=CC=C3)O2)C=NN=C1,0.0
39336,CO-ADD:0156967,4.18,N#CC1=C(SCC(NC2=NC3=CC=CC=C3S2)=O)N=C(N=C1SC)N,0.0
39337,CO-ADD:0157728,4.18,[O-][N+](C(C=C1)=CC=C1C(N(CCC2)C2C(N/N=C/C3=CC=C(C=C3)[N+]([O-])=O)=O)=O)=O,0.0
39338,CO-ADD:0158120,4.18,O=C(N/N=C/C1=CC(OC)=C(OCC=C)C=C1)C(N2CCCCC2)=O,0.0
39339,CO-ADD:0160381,4.18,[O-][N+](C(C=C1)=CC=C1C(OC(C(/C=N/NC(C2OC(C=CC=C3)=C3OC2)=O)=C4)=CC=C4Br)=O)=O,0.0
39340,CO-ADD:0160573,4.18,O=C1N(C2=CC(C(NC(C=C3)=CC=C3OC4=CC(C(O)=O)=C(C(O)=O)C=C4)=O)=CC(C(NC(C=C5)=CC=C5OC6=CC=C(C(C(O)=O)=C6)C(O)=O)=O)=C2)C(C7=C1C=CC=C7)=O,0.0
39341,CO-ADD:0160397,4.18,C=CCOC1=CC=C(C(OCC=C)=C1)/C=N/C(C=CC=C2)=C2OC,0.0
39342,CO-ADD:0160520,4.18,O=C(NC(C=C1)=CC=C1OC(CC)=O)OCCCCCCCCCCOC(NC(C=C2)=CC=C2OC(CC)=O)=O,0.0
39343,CO-ADD:0161324,4.18,C1(C2c3ccc(cc3Cl)Cl)=C(c4c(cccc4)OC1=O)OC(N)=C2C(OCC)=O,0.0
39344,CO-ADD:0161093,4.18,C(=O)(NCC(=O)N\N=C\c(ccc(c1OC)O)c1)c2ccco2,0.0
39345,CO-ADD:0161493,4.18,c1(S(CC)(=O)=O)c(C(OC)=O)n2c(ccc(C(N)=O)c2)c1S(CC)(=O)=O,0.0
39346,CO-ADD:0155499,4.18,O=C(C(C=C1)=CC=C1Br)OC(C=C2)=CC=C2/C=N/C3=CC=C(O)C(C4=NC(C=CC=C5)=C5O4)=C3,0.0
39347,CO-ADD:0155515,4.18,O=C(C1=CC([N+]([O-])=O)=CC=C21)N(C2=O)C(C=C3)=CC=C3OC4=CC=C(C=C4)N(C5=O)C(C6=CC([N+]([O-])=O)=CC=C56)=O,0.0
39348,CO-ADD:0156408,4.18,[O-][N+](C1=CC(C2=CC=C(/C=C3N=C(C4=CC=CC([N+]([O-])=O)=C4)OC\3=O)O2)=CC=C1)=O,0.0
39349,CO-ADD:0156441,4.18,O=C(C1=CC=CC=C1)O/N=C(NC2=C(C)C=C(C)C=C2)\C3=NON=C3N,0.0
39350,CO-ADD:0155900,4.18,N#CC1=C(SCC(NC2(CC3C4)C[C@H]4CC(C3)C2)=O)N=C(C)C=C1C,0.0
39351,CO-ADD:0155940,4.18,O=C(C1N2CCN(CC3=CC=CC=C3)CC2)N(C4=CC=CC=C4)C(C1)=O,0.0
39352,CO-ADD:0162170,4.18,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4ccccc4Cl,0.0
39353,CO-ADD:0162551,4.18,n12c(nc(cc1C(F)(F)F)C)cc(C(N)=O)n2,0.0
39354,CO-ADD:0162271,4.18,c1(N(CC2)CCO2)nc(N\N=C/c(c3)c(O)c(cc3[N+](=O)[O-])Br)nc(Nc4cccc(Br)c4)n1,0.0
39355,CO-ADD:0161876,4.18,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c2c(O)ccc(cccc3)c23,0.0
39356,CO-ADD:0161954,4.18,C(CNc(cc1)ccc1C)(=O)N\N=C\c2ccccc2,0.0
39357,CO-ADD:0162742,4.18,N1C(=O)\C(\SC1=O)=C/c(cc2)ccc2\C=C(\SC(N3)=O)/C3=O,0.0
39358,CO-ADD:0157428,4.18,O=C([C@H]1[C@H]2C=C[C@@H]3C2=C(C4=CC=CC=C4)C5=CC=CC=C5)N(C(C=C6)=CC=C6Br)C([C@H]31)=O,0.0
39359,CO-ADD:0157707,4.18,[O-][N+](C1=CC=CC(/C=N/C2=CC=C3N=C(SC)SC3=C2)=C1)=O,0.0
39360,CO-ADD:0157387,4.18,O=C(N1C2=CC=CC=C2)C(/N=C/C(C(O)=C3)=CC=C3Cl)=C(C)N1C,0.0
39361,CO-ADD:0160000,4.18,BrC1=CC(Br)=CC(/C=N/C2=CC(N=C(C3=CC=C(OC)C=C3)O4)=C4C=C2)=C1O,0.0
39362,CO-ADD:0160353,4.18,O=C(NC1=CC=CC=C/21)C2=N/NC(COC(C(Br)=C3)=CC=C3C)=O,0.0
39363,CO-ADD:0160500,4.18,O=C(N(C(C=C1Cl)=CC=C1Cl)C(C2C3C4=C(OC)C=C(OC)C=C4)=O)C2N(C5C6=C(OC)C=C(OC)C=C6)N3C7C5C(N(C(C=C8Cl)=CC=C8Cl)C7=O)=O,0.0
39364,CO-ADD:0160524,4.18,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1OC2=CC=CC(/C=N/NC3=NC(N4CCCC4)=NC(N5CCOCC5)=N3)=C2)=O,0.0
39365,CO-ADD:0160166,4.18,O=S(C1=CC=C2C=CC=CC2=C1)(NC3=CC=C(C=C3)C4=NC(C=C5)=C(C=C5C)S4)=O,0.0
39366,CO-ADD:0156024,4.18,O=C(CC1=CC=CC=C1)N/N=C/C2=CNN=C2C3=CC=CC=C3,0.0
39367,CO-ADD:0156255,4.18,ClC(C(/N=C/C1=C(O)C=CC(Br)=C1)=CC=C2)=C2Cl,0.0
39368,CO-ADD:0156271,4.18,BrC1=C(C)C(Cl)=C(C)C(/C=N/C2=CC=C(C(Cl)=C2)OC)=C1O,0.0
39369,CO-ADD:0156492,4.18,NC1=NC(N)=NC(C(C=C2)=CC=C2OC3=CC(C)=CC=C3C(C)C)=N1,0.0
39370,CO-ADD:0156340,4.18,O=C1/C(C2=CC(C)=CC=C2N1C)=N\NC(C3=CC=C(O)C=C3)=O,0.0
39371,CO-ADD:0156380,4.18,N#CC1=C(N)OC(C=C(N)C=C2)=C2C1C3=CC=CC=C3F,0.0
39372,CO-ADD:0156212,4.18,C(C1=NC(C=CC=C2)=C2S1)(/C(O3)=N\C4=CC=CC=C4)=CC5=C3C=CC=C5,0.0
39373,CO-ADD:0155847,4.18,O=C1NC(C(C)=CC(Br)=C2)=C2/C1=N\NC(COC3=C(OC)C=C(Br)C=C3)=O,0.0
39374,CO-ADD:0155082,4.18,NC1=NC(C)=NC(C)=C1C2=NC3=NC(C)=NC(C)=C3C(C)=C2,0.0
39375,CO-ADD:0154985,4.18,N#CC1=C(SCC(C2CC2)=O)N=C(C)C=C1C,0.0
39376,CO-ADD:0156041,4.18,O=C(C1=CC=NC=C1)N/N=C/C2=C(O)C=C(C)C=C2,0.0
39377,CO-ADD:0162766,4.17,N(=C(/C)\c1ccc(cc1)N)/NC(=O)c2ccc(c(OC)c2)OC,0.0
39378,CO-ADD:0162107,4.17,S(=O)(=O)(NCc1ccccc1)c2c(C)ccc(c2)C(=O)Nc(cc3)ccc3[N+](=O)[O-],0.0
39379,CO-ADD:0162505,4.17,N(C(C)(CCC)NN1c2ccccc2)=C1S,0.0
39380,CO-ADD:0163191,4.17,c1(Cl)c(F)ccc(c1)\N=C\c(cc2)ccc2OCc3ccccc3,0.0
39381,CO-ADD:0162256,4.17,n1c2c(oc1c3ccc(cc3)I)ccc(c2)\N=C\c(cc(Br)cc4I)c4O,0.0
39382,CO-ADD:0232790,4.17,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3c4ccccc4Cl)C1=O,0.0
39383,CO-ADD:0235419,4.17,c1(C#N)c(SCC(=O)Nc2cccc(C)n2)nc(cc1C(F)(F)F)c3cccs3,0.0
39384,CO-ADD:0231996,4.17,c(Nc1ccccc1)(nc(N\N=C\c(cc2OC)cc(c2O)Br)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
39385,CO-ADD:0232140,4.17,n1c(c2ccc(cc2)OC)csc1Nc3cccc(C)c3.Br,0.0
39386,CO-ADD:0158460,4.17,O=C(N/N=C/C1=CC=C(F)C=C1)CSC2=CC=C3C(C=CC=C3)=N2,0.0
39387,CO-ADD:0158468,4.17,O=S(N1CCOCC1)(C2=CC(C(NC3=CC(O)=CC=C3)=O)=C(Cl)C=C2)=O,0.0
39388,CO-ADD:0160390,4.17,O=C(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)N/N=C(CC)/C2=CC=C(C3=CC=CC=C3)C=C2,0.0
39389,CO-ADD:0158044,4.17,C1(C2=CC3=C(C=C2)NC(C(C=C4)=CC=C4/N=C/C5=CC=CO5)=N3)=NC6=CC(/N=C/C7=CC=CO7)=CC=C6N1,0.0
39390,CO-ADD:0157668,4.17,S=C(NC1=O)NC(C1=CC(C=CC=C2)=C2Cl)=O,0.0
39391,CO-ADD:0160340,4.17,ClC(C=C1)=C(C=C1/N=C/C(C=C2)=CC=C2/C=N/C3=CC(C4=NC5=CC=CC=C5O4)=C(Cl)C=C3)C6=NC7=CC=CC=C7O6,0.0
39392,CO-ADD:0159943,4.17,O=C1/C(N=C(C(C=C2)=CC=C2Cl)O1)=C/C(C=C3)=CC=C3C,0.0
39393,CO-ADD:0155997,4.17,[O-][N+](C1=C(C=C(Cl)C=C1)N/N=C2CN3CCC/2CC3)=O,0.0
39394,CO-ADD:0160675,4.17,O=C(CNC1=CC=C(I)C=C1)N/N=C/C2=CC=C(C=C2)N(C)C,0.0
39395,CO-ADD:0161498,4.17,s1c(C(C)C)nnc1NC(c2ccccc2)=O,0.0
39396,CO-ADD:0161605,4.17,N(\C(=C/c(ccc1c(cccc2[N+](=O)[O-])c2)o1)\C(O3)=O)=C3c4ccc(cc4)F,0.0
39397,CO-ADD:0160559,4.17,O=C1/C(N=C(C(C=C2)=CC=C2OCCCCCCCCCC)O1)=C/C(C=C3)=CC=C3OCC4=CC=CC=C4,0.0
39398,CO-ADD:0160371,4.17,O=C(N/N=C/C1=CC=C(C=C1)I)C(CC2=CC=CC=C2)C(N/N=C/C3=CC=C(C=C3)I)=O,0.0
39399,CO-ADD:0155435,4.17,BrC1=CC=CC(NC2=NC(C(C=C3)=CC=C3C(C)(C)C)=CS2)=C1.Br,0.0
39400,CO-ADD:0158591,4.17,O=C(N/N=C/C1=CC=C(N(CC)CC)C=C1)COC(C(Br)=C2)=C(Br)C=C2C,0.0
39401,CO-ADD:0158672,4.17,[O-][N+](C1=CC=C(C(/C=N/NC(CNC2=CC=CC=C2OC)=O)=C1)N(CC(C)C)CC(C)C)=O,0.0
39402,CO-ADD:0154809,4.17,O=C(C(C=C1)=CC=C1C)NC2=CC=C(C=C2)C(NCC3=CC=CC=C3)=O,0.0
39403,CO-ADD:0156144,4.17,O=C(/C1=N\C2=CC=C(F)C=C2)N(CN(CC)CC)C3=C1C=CC=C3,0.0
39404,CO-ADD:0154843,4.17,O=C1CC(C2=CC=CC=C2)C(C3=O)=C(CC(C)(C)C3)N1C4=CC=CC=C4,0.0
39405,CO-ADD:0156293,4.17,N#C/C(C1=NC(C(C=C2)=CC=C2Br)=CS1)=C\C3=C(OCC)C=C(OCC)C=C3,0.0
39406,CO-ADD:0158705,4.17,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(OC(C(Br)=C2)=C(Br)C=C2/C=N/C3=CC=CC(C)=C3C)=O)=C1)=O,0.0
39407,CO-ADD:0156490,4.17,[O-][N+](C(C=C1)=CC=C1N2CCN(CC2)/C(C3=NON=C3N)=N/OC)=O,0.0
39408,CO-ADD:0155121,4.17,N#CC1=C(SCC(C(C)(C)C)=O)N=C(C)C=C1C,0.0
39409,CO-ADD:0156133,4.17,O=C(C(C1=CC=C(C=C1)[N+]([O-])=O)=C2)N(C(C=C3)=CC=C3C(OC)=O)C2=O,0.0
39410,CO-ADD:0162223,4.17,c1(N(CC2)CCN2C)nc(N\N=C\c3cccc(Cl)c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
39411,CO-ADD:0154372,4.17,NC(OC1=NNC(C)=C1C2C3=CC=C(C=C3)OC)=C2C#N,0.0
39412,CO-ADD:0162883,4.17,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(Cc3ccccc3)=O,0.0
39413,CO-ADD:0162513,4.17,C(=O)(OC(C)(C)C)N1CCC[C@H]1C(=O)NC(C)(C)C,0.0
39414,CO-ADD:0154509,4.17,O=C(C(N1)=CC2=CC=CC=C2)NC1=O,0.0
39415,CO-ADD:0162967,4.17,c1(O)c(OC)cc(cc1Br)\C=N\NC(CNc(ccc(c23)cccc2)c3)=O.[Na+],0.0
39416,CO-ADD:0161238,4.17,C(=O)(c(cc1)ccc1C(c2ccccc2)=O)Nc(cc3)ccc3OC,0.0
39417,CO-ADD:0158357,4.17,O=C(C(C=C1)=CC=C1/N=C/C2CC=CCC2)N(C3=CC=CC=C3)C4=CC=CC=C4,0.0
39418,CO-ADD:0158389,4.17,O=C(N/N=C(C)\C=C\C1=CC=CC=C1)/C(NC(C2=CC=CC=C2)=O)=C/C3=CC=C(OC)C=C3,0.0
39419,CO-ADD:0155693,4.17,O=C(O1)/C(N=C1C)=C/C2=CC(Br)=C(OC(C)=O)C(OCC)=C2,0.0
39420,CO-ADD:0158085,4.17,O=C(C1=CN=CC=C1)N/N=C(CCC)\C2=CC=C(C)C=C2,0.0
39421,CO-ADD:0160403,4.17,O=S(NC(C(C)C)C(OC)=O)(C1=CC=CC=C1)=O,0.0
39422,CO-ADD:0159931,4.17,O=C(NC1=CC(OC)=CC=C1)CCCCCCCCCCC(NC2=CC(OC)=CC=C2)=O,0.0
39423,CO-ADD:0156470,4.17,O=C(OC)C(C=C1)=CC=C1/C=N/C2=CC=C3C(N=C(C(C=C4)=CC=C4C(C)(C)C)O3)=C2,0.0
39424,CO-ADD:0156173,4.17,O=C(NC1=CC=CC=C1)/C(NC(C2=CC=CC=C2)=O)=C/C3=CC(OC)=C(OC)C=C3,0.0
39425,CO-ADD:0156438,4.17,OC1=C(C=CC=C1)/C=N/C2=CC=C(C=C2)C(S3)=NC4=C3C=CC(C)=C4,0.0
39426,CO-ADD:0155941,4.16,O=C(C1N2CCN(C3=CC=CC(C(F)(F)F)=C3)CC2)N(C(C=C4)=CC=C4OCC)C(C1)=O,0.0
39427,CO-ADD:0155109,4.16,N#CC1=C(N)OC(C)=C(C([O-])=O)C1C2=CC=[N+](C=C2)CC,0.0
39428,CO-ADD:0155133,4.16,O=C(COC1=CC=CC(Cl)=C1)N/N=C/C2=CC=C(O2)C(C(Cl)=C3)=CC=C3Cl,0.0
39429,CO-ADD:0156234,4.16,O=C(C/C(C)=N/NC(COC(C(C)=C1)=CC=C1Br)=O)NC2=C(Cl)C=C(Cl)C=C2,0.0
39430,CO-ADD:0162803,4.16,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2C(OC)=O)c3cccc(cccc4)c34,0.0
39431,CO-ADD:0154417,4.16,O=C(SC(C1=CC=CC=C1)=N/2)C2=CC3=CC=C(C=C3)OC,0.0
39432,CO-ADD:0154287,4.16,CC1=NN(C(C)=N2)C(C3=C2N(C4=CC=CC=C4)N=C3)=N1,0.0
39433,CO-ADD:0161430,4.16,n1c(c2ccc(cc2)Cl)csc1Nc3cccc(C)c3.Br,0.0
39434,CO-ADD:0161438,4.16,n1c(c2ccc(cc2)Cl)csc1Nc3cccc(O)c3.Br,0.0
39435,CO-ADD:0163603,4.16,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)cc(c2N(C)C)Br)c3ccccc3OC,0.0
39436,CO-ADD:0163891,4.16,C(OCc(cc1)ccc1OC)(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2CC,0.0
39437,CO-ADD:0163987,4.16,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2Cl)\C=C\C(=O)Oc(cc3)ccc3\C=N\c(cc4)ccc4Cl,0.0
39438,CO-ADD:0162255,4.16,n1c2c(oc1c3ccc(cc3)I)ccc(c2)\N=C\c4c(O)ccc(cccc5)c45,0.0
39439,CO-ADD:0157360,4.16,O=C(C1=CC=CC=C1)NC(C(OC)=O)CC(NCC)=O,0.0
39440,CO-ADD:0158321,4.16,O=C(N/N=C/C(C)C)/C(NC(C1=CC=CC=C1)=O)=C/C(C=C2)=CC=C2OC,0.0
39441,CO-ADD:0158377,4.16,S=C(S/1)N(CNC(C=C2)=CC=C2F)C(C1=C\C3=CC=C(N(CC)CC)C=C3)=O,0.0
39442,CO-ADD:0157389,4.16,OC1=CC(Cl)=CC=C1/C=N/C2=CC=C(C=C2)C(N3)=NC4=C3C=CC(/N=C/C5=C(O)C=C(Cl)C=C5)=C4,0.0
39443,CO-ADD:0156949,4.16,O=C(NC1=CC=CC=C1)C(NC(OCC2=CC=CC=C2)=O)CC(N)=O,0.0
39444,CO-ADD:0160627,4.16,C1(/C=N/C(C=C2)=CC=C2OC3=CC=C(C=C3)OC4=CC=C(C=C4)/N=C/C5=CC=CO5)=CC=CO1,0.0
39445,CO-ADD:0160667,4.16,O=C(N/N=C/C1=CC=CS1)C(NC(C=C2)=CC=C2CCCC)=O,0.0
39446,CO-ADD:0160108,4.16,[O-][N+](C1=CC(/N=C/C2=CC=C(Br)S2)=CC=C1)=O,0.0
39447,CO-ADD:0161271,4.16,n1c(c(cc2)ccn2)ccc(C#N)c1SCc(cc3)ccc3F,0.0
39448,CO-ADD:0159963,4.16,O=C1C(C=CC=C2)=C2N(CC(N/N=C/C3=CC(O)=C(O)C=C3)=O)C4=C1C=CC=C4,0.0
39449,CO-ADD:0160451,4.16,O=C(N/N=C/C1=CC(I)=CC(I)=C1O)C2=NNC(C3=CC=CC=C3)(C4=CC=CC=C4)C2,0.0
39450,CO-ADD:0160621,4.16,OC(C(C(C)(C)C)=C1)=C(C(C)(C)C)C=C1CN(C(C)(C)C2)N=C2C,0.0
39451,CO-ADD:0155985,4.16,O=C1CC(C2(CCCC2)O1)C3=CSC(C)=N3,0.0
39452,CO-ADD:0156110,4.16,OC(N(C1=CC=CC=C1)N=C2C)=C2/C=N/NC(C3=CC=NC=C3)=O,0.0
39453,CO-ADD:0154933,4.16,N#CC1=C(N)OC(NC(N2)=O)=C(C1C(C=CC=C3)=C3I)C2=O,0.0
39454,CO-ADD:0154797,4.16,O=C(C1=CC(C2=O)=C3C(N2CCOC4=CC(C)=C(C)C=C4)=O)N(CCOC5=CC(C)=C(C)C=C5)C(C1=C3)=O,0.0
39455,CO-ADD:0154805,4.16,O=C(CN1CCOCC1)NC(C(C)=C2)=C(C)C=C2C(C)(C)C,0.0
39456,CO-ADD:0156070,4.16,O=C1OC(C2=CC=CC3=CC=CC=C23)=N/C1=C\C4=CC(OC)=C(OC)C(OC)=C4,0.0
39457,CO-ADD:0155586,4.16,O=C(NC1=CC=CC(OC)=C1)C2C3CC/C=C\CC/C=C/CCC23,0.0
39458,CO-ADD:0158727,4.16,ClC1=NC(N(C)C)=NC(N(C)C)=N1,0.0
39459,CO-ADD:0155098,4.16,N#CC([C@H](C1=CC(OCO2)=C2C=C1)[C@H]3C(C)=O)(C#N)[C@]4([H])N3C(C=CC=C5)=C5C=C4,0.0
39460,CO-ADD:0156134,4.16,O=C(NC1=CC(C)=C(C)C=C1)C2C(C3=CC=CC=C3)(C4=CC=CC=C4)C2,0.0
39461,CO-ADD:0155086,4.16,N#CC([C@H](C(C=CC=C1)=C1I)[C@H]2C(C3=CC=CC=C3)=O)(C#N)[C@]4([H])N2C(C=CC(Cl)=C5)=C5C=C4,0.0
39462,CO-ADD:0155558,4.16,[O-][N+](C1=C(NC(C=C2)=CC=C2OC)N=C(NC3=CC=C(C=C3)N(CC)CC)N=C1C)=O,0.0
39463,CO-ADD:0161686,4.16,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(=O)c(ccc(c34)OCO3)c4,0.0
39464,CO-ADD:0161838,4.16,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c2ccccc2O)nc3Nc(cc4)ccc4OC)n3,0.0
39465,CO-ADD:0161867,4.16,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\C(\C)=C\c(cc2)ccc2C(C)C,0.0
39466,CO-ADD:0161211,4.16,N1(c2ccccc2C)C(=O)C(CC1=O)SC(N\N=C\c(cc3)ccc3N(C)C)=N,0.0
39467,CO-ADD:0161227,4.16,C1(C(OCC)=O)=C(c2c(cccc2)CC13CCCCC3)N(C(C)=O)C(C)=O,0.0
39468,CO-ADD:0161427,4.16,S(=O)(=O)(c(cccc1C(=O)Oc(cccc2NC(=O)c3ccc(cc3)C)c2)c1)N(CC4)CCO4,0.0
39469,CO-ADD:0162823,4.16,C(=O)(N\N=C\c1ccccc1OC)C(=O)Nc2cccc(F)c2,0.0
39470,CO-ADD:0163871,4.16,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc(c2OCC)OCc(cc3)ccc3Cl)c2)c4ccccc4OC,0.0
39471,CO-ADD:0163842,4.16,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N\N=C(/C)\c3cccc(I)c3,0.0
39472,CO-ADD:0157161,4.16,O=C(N/N=C(C)/CC(NC(C(C)=C1)=C(C)C=C1C)=O)C2=CC(Cl)=CC=C2O,0.0
39473,CO-ADD:0158606,4.15,O=C1C(C=C2)=C(C=C2C(NC(C=CC=C3)=C3OC)=O)C4=CC=CC=C41,0.0
39474,CO-ADD:0158334,4.15,O=C(NC(C(C)=C1)=CC=C1I)NC2=C(Cl)C=C(Cl)C=C2,0.0
39475,CO-ADD:0158062,4.15,O=C(NC(C=C1)=CC=C1OC)/C=C/C2=CC=CC(Br)=C2,0.0
39476,CO-ADD:0156936,4.15,[O-][N+](C1=NC(C2=NC([N+]([O-])=O)=NN2CC(C)=O)=NN1CC(C)=O)=O,0.0
39477,CO-ADD:0161475,4.15,N(CN(CC1)CCO1)(c(cccc2)c2N3CN(CC4)CCO4)C3=S,0.0
39478,CO-ADD:0161099,4.15,S(=O)(=O)(c1ccc(cc1)NC(=O)\C=C\C=C\C)c2ccc(cc2)NC(=O)\C=C\C=C\C,0.0
39479,CO-ADD:0161086,4.15,c1(cc(\C=N\NC(=O)c(ccc(n2)C)c2)cc(OC)c1O)[N+](=O)[O-],0.0
39480,CO-ADD:0161518,4.15,c1(C(=O)N\N=C\c(cc2)ccc2F)nc(c3ccccc3)cc(c4ccccc4)n1,0.0
39481,CO-ADD:0161550,4.15,c(c(F)c1F)(c(F)c(c1C(=O)Nc2ccc(cc2Cl)Cl)F)C(=O)Nc3ccc(cc3Cl)Cl,0.0
39482,CO-ADD:0161294,4.15,c1(cc(C)c(nc1SCC(=O)Nc(cccc2C(F)(F)F)c2)CC)C#N,0.0
39483,CO-ADD:0160175,4.15,O=C(C1=C2C=CC=C1[N+]([O-])=O)N(CNC3=CC=CC(C)=C3)C2=O,0.0
39484,CO-ADD:0154922,4.15,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C3=C(Cl)C=C(Cl)C=C3,0.0
39485,CO-ADD:0155619,4.15,O=C(N1)/C(C2=C1C=CC(Br)=C2)=N/NC(CNC(C=CC=C3)=C3C)=O,0.0
39486,CO-ADD:0155584,4.15,N#CC1=C(N)OC(C=C2)=C(C3=C2C=CC=C3)C1C4=C(C=CC=C5)C5=CC=C4,0.0
39487,CO-ADD:0163426,4.15,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2cccc(C)c2)=O)c3ccco3,0.0
39488,CO-ADD:0163455,4.15,c1(c(O)c(\C=N\NC(COc2ccc(cc2Cl)Cl)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
39489,CO-ADD:0163381,4.15,N(=C(/C)\c(cc1)ccc1c2ccccc2)/NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
39490,CO-ADD:0163781,4.15,c1(\C=N\NC(Cc(cc2)ccc2C)=O)cc(OC)ccc1OC,0.0
39491,CO-ADD:0163786,4.15,C(=O)(Oc1cccc(c1)\C=N\c(ccc(c2C)C)c2)c3ccccc3C(=O)Oc(cc4)ccc4\C=N\c(ccc(c5C)C)c5,0.0
39492,CO-ADD:0161932,4.15,c1(c(O)c(\C=N\c(ccc(c23)oc(c4cccc(Cl)c4)n2)c3)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
39493,CO-ADD:0161652,4.15,C(COc(cc1)ccc1Cl)(=O)N\N=C\c2ccccc2OCC,0.0
39494,CO-ADD:0162113,4.15,c1(SC)sc2c(ccc(c2)\N=C\c(cc3)ccc3O)n1,0.0
39495,CO-ADD:0162080,4.15,c1(\N=C\c(ccc(c2OC)O)c2)c(c3ccc(c(OC)c3)O)nc(cccc4)n14,0.0
39496,CO-ADD:0162088,4.15,c([N+](=O)[O-])(n1)ncn1C(=C(C)OC(=C2C#N)N)C2c3ccccc3,0.0
39497,CO-ADD:0162366,4.15,C(=O)(N\N=C\c1ccccc1Br)C(C)Oc(cc2)ccc2OCc3ccccc3,0.0
39498,CO-ADD:0162930,4.15,c1(ccccc1c2ccccc2)C(NCCOc(cc3)ccc3F)=O,0.0
39499,CO-ADD:0163850,4.15,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1)C(NCCOC)=O,0.0
39500,CO-ADD:0163882,4.15,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)N\N=C\c(ccc(c3OCC)OCc(cc4)ccc4Cl)c3,0.0
39501,CO-ADD:0163410,4.15,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc2ccc(cc2Br)Cl)=O)c3ccco3,0.0
39502,CO-ADD:0163162,4.15,c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])c1N2CCCCCC2,0.0
39503,CO-ADD:0163178,4.15,c1(oc(c2n1)ccc(c2)\N=C\c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3O)c4cc(Cl)ccc4Cl,0.0
39504,CO-ADD:0157689,4.15,O=C(COC1=CC=C(C)C=C1)NC(C=C(OC2=CC=CC=C32)C3=C4)=C4OC,0.0
39505,CO-ADD:0157396,4.15,O=C(NC1=C/2C=CC=C1)C2=N\NC3=NC(N4CCOCC4)=NC(N5CCCC5)=N3,0.0
39506,CO-ADD:0161131,4.15,N1(c2ccc(cc2C)C)C(=O)C(C3C1=O)C(c4ccccc4)(C(C35c6ccccc6)=O)C(=C5c7ccccc7)c8ccccc8,0.0
39507,CO-ADD:0161267,4.15,C1(C2c3cccc(c3)OCc4ccccc4)=C(c5c(cccc5)OC1=O)OC(N)=C2C#N,0.0
39508,CO-ADD:0159898,4.15,[O-][N+](C1=CC=C(Cl)C(C(NC2=C(C=C(Br)C=C2)C(O)=O)=O)=C1)=O,0.0
39509,CO-ADD:0159864,4.15,O=C1N(CC(C2=CC=CC=C2CC3)N3C(N(CC)CC)=O)C(C4=CC=CC=C14)=O,0.0
39510,CO-ADD:0160049,4.15,O=C(N(C1=CC(F)=CC=C1)N=C/2C)C2=C\C3=CC=C(C=C3)N(C)C,0.0
39511,CO-ADD:0160089,4.15,O=C(C(NCC1=CC=CC=C1Cl)=O)NC(C=CC=C2)=C2CC,0.0
39512,CO-ADD:0154754,4.15,O=C(NCC(C)O)C(NCC1=CC=CO1)=O,0.0
39513,CO-ADD:0154848,4.14,FC(F)(F)C1=C(C2=CC=C(Cl)C=C2)SC(N/N=C(CC)/C3=CC=C(Cl)C=C3)=N1,0.0
39514,CO-ADD:0163427,4.14,C(=O)(N\N=C\c(cc1)cc(c1OC(C)=O)OC)C(O)c2ccccc2,0.0
39515,CO-ADD:0163737,4.14,C(=O)(N\N=C/c1ccccc1OCCCCCC)c2ccc(cc2)OCc(cc3)ccc3Cl,0.0
39516,CO-ADD:0163371,4.14,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c(ccc(c2Br)O)c2,0.0
39517,CO-ADD:0163324,4.14,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\C=C\c2ccccc2,0.0
39518,CO-ADD:0163764,4.14,C(=O)(NC(C)(C)C)C\C(\C)=N\NC(COc1ccc(cc1C)Br)=O,0.0
39519,CO-ADD:0163388,4.14,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O)[N+](=O)[O-],0.0
39520,CO-ADD:0162857,4.14,c1(ccc(cc1OC)OC)\C(\C)=N\NC(=O)C(c2ccccc2)c3ccccc3,0.0
39521,CO-ADD:0162468,4.14,c1(sc(c2n1)cccc2)NC(=O)c(cc3)ccc3N4C(=O)CCC4=O,0.0
39522,CO-ADD:0154353,4.14,NC(C(C#N)=C1C2=CC=CC=C2)=NC(N3CCOCC3)=C1C#N,0.0
39523,CO-ADD:0154454,4.14,NNC(C1=CC=CN=C1)=O,0.0
39524,CO-ADD:0163822,4.14,N(=C\c(cc1)ccc1OC(=O)\C=C\c(cc2)ccc2Br)/c3ccccc3C,0.0
39525,CO-ADD:0163126,4.14,N1(CNc(cc2)ccc2C(OCCCCCCC)=O)C(=O)c3c(cc(cc3)Br)C1=O,0.0
39526,CO-ADD:0158366,4.14,S=C(N(C)C)OC1=CC=C(C=C1)C(NC2=CC=CC=C2)=O,0.0
39527,CO-ADD:0158470,4.14,[O-][N+](C(C=C1)=CC=C1/C=N/NC(C2=CC(Br)=C(OC)C=C2)=O)=O,0.0
39528,CO-ADD:0157065,4.14,O=C(NC1=CC(C(F)(F)F)=CC=C1)C2=C(N)C(C(C)=C3)=C(N=C3C(F)(F)F)S2,0.0
39529,CO-ADD:0155221,4.14,O=C(C(C=C1)=CC=C1C(C)(C)C)NC2=C(C)C=C(Br)C=C2C,0.0
39530,CO-ADD:0155294,4.14,O=C(C1=CC=CC2=CC=CC=C12)NC3=CC=C(C=C3)C(NC4=CC(N=C(C(C=C5)=CC=C5NC(C(C=C6)=CC=C6NC(C7=CC=CC8=CC=CC=C78)=O)=O)N9)=C9C=C4)=O,0.0
39531,CO-ADD:0155198,4.14,O=C(N/N=C/C1=CC(Br)=CC=C1)CCN2N=NC3=C2C=CC=C3,0.0
39532,CO-ADD:0161065,4.14,C(CNc(cc1)ccc1I)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
39533,CO-ADD:0161076,4.14,c(cc1C)(c2c(n1)cccc2)C(=O)N\N=C\c(cc3)ccc3Cl,0.0
39534,CO-ADD:0161318,4.14,C(C(OCC)=O)(C1c2ccc(c(Cl)c2)Cl)=C(c3ccccc3)OC(N)=C1C#N,0.0
39535,CO-ADD:0161471,4.14,S(=O)(=O)(c1ccc(cc1)C)Nc(cccc2C(O)=O)c2,0.0
39536,CO-ADD:0154845,4.14,N#C/C(C1=NC(C=C2)=C(C=C2C)N1)=C/C3=CC=C(N(CC)CC)C=C3,0.0
39537,CO-ADD:0163428,4.14,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(ccc3c4ccc(cc4)I)o3,0.0
39538,CO-ADD:0163769,4.14,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C\c2cccc(OC)c2OC,0.0
39539,CO-ADD:0162651,4.14,c(C#N)(cc(C(C)=O)c(n1)C)c1SCC(OCC)=O,0.0
39540,CO-ADD:0162203,4.14,c1(N2CCCC2)nc(N\N=C\c(ccc(c3O)O)c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
39541,CO-ADD:0154307,4.14,NC1=C2C(CCCC2)=NC3=C1C(C4=CC(Cl)=C(Cl)C=C4)C5=C(O3)C6=C(C=CC=C6)C=C5,0.0
39542,CO-ADD:0154399,4.14,O=C(N/N=C/C1=CC=C(Cl)C=C1)C2=CC3=CC=CC=C3N2,0.0
39543,CO-ADD:0162126,4.14,n1c2c(cccc2)ccc1C(=O)Nc(cc3)ccc3Cc(cc4)ccn4,0.0
39544,CO-ADD:0162134,4.14,[N+](=O)([O-])c(cccc1C(=O)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3CC)c1,0.0
39545,CO-ADD:0161172,4.14,C(=O)(NCC(=O)N\N=C\c(ccc(c1I)OC)c1)c2ccco2,0.0
39546,CO-ADD:0161175,4.14,C(=O)(NCC(=O)N\N=C\c(cc1)ccc1C(C)(C)C)c2ccco2,0.0
39547,CO-ADD:0161231,4.14,n1(CC)c2c(c(cc(cc3)NC(=O)C\C(\C)=N\NC(=O)c4ccc(cc4)OC)c13)cccc2,0.0
39548,CO-ADD:0161894,4.14,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(C)c2)=O)N(C)C)c1,0.0
39549,CO-ADD:0161902,4.14,c1(cc(ccc1N2CCCC2)\C=N\NC(COc3cccc(C)c3)=O)[N+](=O)[O-],0.0
39550,CO-ADD:0161933,4.14,c1(c(O)c(\C=N\c(ccc(c23)oc(c4ccc(cc4)Cl)n2)c3)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
39551,CO-ADD:0158354,4.14,O=C(COC1=CC=CC(Br)=C1)NC2=CC(Cl)=C(Cl)C=C2,0.0
39552,CO-ADD:0158370,4.14,[O-][N+](C1=CC=C(C(/C=N/NC(C(C=C2)=CC=C2NC(C3=CC=C(OC)C=C3)=O)=O)=C1)O)=O,0.0
39553,CO-ADD:0157162,4.14,O=C(N/N=C(C)/CC(NC1=C(C)C(Cl)=CC=C1)=O)C(NC2CCCCC2)=O,0.0
39554,CO-ADD:0155238,4.14,O=C(O1)C(C(OC)=C(OC)C=C2)=C2C1NC3=CC(Cl)=C(Cl)C=C3,0.0
39555,CO-ADD:0156894,4.14,[O-][N+](C1=C(Cl)C=CC(/C=C2SC3=C(C=CC=C3)C\2=O)=C1)=O,0.0
39556,CO-ADD:0156942,4.14,ClC1=NC(NC2=CC=CC=C2)=NC(NC3=CC=CC=C3)=N1,0.0
39557,CO-ADD:0161092,4.14,C(=O)(NCC(=O)N\N=C\c1cc(C)ccc1O)c2ccco2,0.0
39558,CO-ADD:0161556,4.14,C(COc(cc1)ccc1I)(=O)N\N=C\c2ccccc2OCC,0.0
39559,CO-ADD:0154928,4.14,N#CC([C@H](C(C=CC=C1)=C1I)[C@H]2[N+]3=CC=CC=C3)=C([O-])NC2=O,0.0
39560,CO-ADD:0154932,4.14,N#CC([C@H](C1=CC=CC(I)=C1)[C@H]2C(C3=CC=CC=C3)=O)(C#N)[C@]4([H])N2C5=CC=CC=C5C=C4,0.0
39561,CO-ADD:0158732,4.14,O=C(NC1=CC(OC(C2C3CCCCC23)=O)=CC=C1)C4C5CCCCC45,0.0
39562,CO-ADD:0156310,4.14,O=C(N1C2=CC=CC=C2)C(C(C3=CC(OCO4)=C4C=C3)C(C(N5C6=CC=CC=C6)=O)=C(C)N5C)=C(C)N1C,0.0
39563,CO-ADD:0155574,4.14,O=C(C1=CC=C2C=CC=CC2=N1)N/N=C/C3=CC=C(O3)C4=C(Cl)C=C(Cl)C=C4,0.0
39564,CO-ADD:0162331,4.14,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c2ccc(cc2OC)OC)c1,0.0
39565,CO-ADD:0162272,4.14,O=[N+](C1=CC(OCC(N/N=C/C2=C3C(C=CC=C3)=CC4=C2C=CC=C4)=O)=CC=C1)[O-],0.0
39566,CO-ADD:0162176,4.13,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)cc(c2OC(c3ccccc3)=O)OCC,0.0
39567,CO-ADD:0154470,4.13,O=C(N([H])CC1=CC=CC=C1)C2=CC3=CC=CC=C3N2,0.0
39568,CO-ADD:0154439,4.13,NNC(C1=CNC2=C1C=C(OCC3=CC=CC=C3)C=C2)=O,0.0
39569,CO-ADD:0154472,4.13,CCOC(N/N=C/C1=CC=CC=C1)=O,0.0
39570,CO-ADD:0154540,4.13,C/C=C(C(OC)=O)/C#N,0.0
39571,CO-ADD:0162972,4.13,c(\C=N\NC(CNc(ccc(c12)cccc1)c2)=O)(cc(I)cc3I)c3OC,0.0
39572,CO-ADD:0161823,4.13,c(Nc(cc1)ccc1OC)(nc(N\N=C(/C)\c2ccc(cc2)Cl)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
39573,CO-ADD:0161669,4.13,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
39574,CO-ADD:0161994,4.13,c1(C#N)c(SCC(O)COc(cc2)ccc2C(C)(C)C)nc(cc1C(F)(F)F)c3cccs3,0.0
39575,CO-ADD:0156913,4.13,N#CC1=CC=C(C2=CC=CS2)N=C1SCC(C3=CC=CC=C3)=O,0.0
39576,CO-ADD:0157409,4.13,O=C(COC1=CC=C(C=C1C)C(C)(C)C)N/N=C/C2=CC=C3C=CC=CC3=C2,0.0
39577,CO-ADD:0161580,4.13,c1(cc(ccc1N(CC2)CCO2)\C=N\NC(COc(cc3)ccc3C)=O)[N+](=O)[O-],0.0
39578,CO-ADD:0161145,4.13,C(COc(cc1)ccc1C(C)C)(=O)N\N=C\c2cccc(Cl)c2Cl,0.0
39579,CO-ADD:0160072,4.13,[O-][N+](C1=C2C(N=CC=C2)=C(NC(C)C3(C[C@H]4C5)C[C@H]5C[C@H](C4)C3)C=C1)=O,0.0
39580,CO-ADD:0154920,4.13,N#CC([C@@H](C1=C(Cl)C=C(Cl)C=C1)[C@@H]2C(C3=CC=CC=C3)=O)(C#N)[C@@]4([H])N2C=CC5=CC=CC=C45,0.0
39581,CO-ADD:0155433,4.13,ClC1=CC(NC2=NC(C(C=C3)=CC=C3Cl)=C(C)S2)=CC=C1Cl,0.0
39582,CO-ADD:0158546,4.13,O=C(N/N=C/C(C=C1)=CC=C1OC)CN2N=NC3=C2C=CC=C3,0.0
39583,CO-ADD:0158627,4.13,[O-][N+](C(C=C1)=CC=C1C(COC(C2=CC=NC=C2)=O)=O)=O,0.0
39584,CO-ADD:0155389,4.13,O=C(NC1=CC=C(C=C1)C(C)C)C(NCCCO)=O,0.0
39585,CO-ADD:0158662,4.13,FC(F)(F)C1=CC=CC(NC2=NC(N/N=C/C3=CC(Br)=CC=C3O)=NC(N4CCOCC4)=N2)=C1,0.0
39586,CO-ADD:0155769,4.13,O=C(C1=CC(C)=CC=C1)NC2=CC=C(C=C2)C(NC3=CC(C=CC=C4)=C4C=C3)=O,0.0
39587,CO-ADD:0156305,4.13,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC=C(C=C3)N4CCOCC4)=C(C)N1C,0.0
39588,CO-ADD:0158709,4.13,N#CC1=C(N)OC(NC(N2)=O)=C(C1C3=CC=CC=C3)C2=O,0.0
39589,CO-ADD:0162200,4.13,c1(N2CCCC2)nc(N\N=C\c3cc(Br)ccc3O)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
39590,CO-ADD:0162592,4.13,n1c(ccc(C#N)c1SCC=C)c2cccs2,0.0
39591,CO-ADD:0154428,4.13,[H]N(C(C(C1=CC=CC=C1)C2=CC=CC=C2)=O)/N=C/C3=CNC4=C3C=CC=C4,0.0
39592,CO-ADD:0154536,4.13,ClC(C=C1)=CC=C1C=C(C#N)C#N,0.0
39593,CO-ADD:0154461,4.13,CN(C(/C=C/[N+]([O-])=O)=C1)C(C1=C2)=CC=C2OC,0.0
39594,CO-ADD:0161780,4.13,N(=C(/CC)\c1ccccc1)/NC(CNc(cc2)ccc2OC)=O,0.0
39595,CO-ADD:0163009,4.13,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3N(CCC)CCC,0.0
39596,CO-ADD:0161248,4.13,N1(CCCCCC(=O)Nc(cc2)ccc2C)C(=O)c3c(cccc3)C1=O,0.0
39597,CO-ADD:0161201,4.13,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)c(Cl)cc3[N+](=O)[O-],0.0
39598,CO-ADD:0161937,4.13,C(N)(=O)c1ccc(cc1)NC(CCCCCCCCCCCCCCC)=O,0.0
39599,CO-ADD:0161855,4.13,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)N(CC3)CCO3)c1,0.0
39600,CO-ADD:0161952,4.13,c1(cc(I)cc(I)c1I)C(=O)Nc(cc(Oc2cccc(N(CC)CC)c2)cc3[N+](=O)[O-])c3,0.0
39601,CO-ADD:0156937,4.13,O=P1(OCCCO1)C(C(C=C2)=CC=C2O)NC3=CC=C(Cl)C=C3,0.0
39602,CO-ADD:0157839,4.13,ClC1=CC(/C=N/C(C=C2)=C(C)C=C2/N=C/C3=C(O)C=CC(Cl)=C3)=C(O)C=C1,0.0
39603,CO-ADD:0157647,4.13,O=C1N(CC2=CC=CC=C2)C(C(C=C3)=CC=C3C(N)=O)SC1,0.0
39604,CO-ADD:0155744,4.13,O=C(O)C1=CC(Br)=CC=C1NC(/C=C/C(O)=O)=O,0.0
39605,CO-ADD:0155192,4.13,O=C1C2=C(CC(C)(C)C1)C3=C(C4=CC=CC=C4C=C3)NC2C5=CC=C(Br)C=C5,0.0
39606,CO-ADD:0155240,4.13,O=C1C(C(NC(C2=CC=CC=C2)=C1)=NC(C3=CC=CC=C3)=N4)=C4C,0.0
39607,CO-ADD:0160570,4.13,O=C(NC1=C(C=CC=C1)C(O)=O)C(C=C2)=C(C(O)=O)C=C2C(OC(C=C3)=CC=C3OC(C4=CC(C(O)=O)=C(C=C4)C(NC5=C(C=CC=C5)C(O)=O)=O)=O)=O,0.0
39608,CO-ADD:0159930,4.12,O=C(/C1=N/C2=CC(C(F)(F)F)=CC=C2)N(CN(C)C3CCCCC3)C4=C1C=CC=C4,0.0
39609,CO-ADD:0159946,4.12,O=C1/C(N=C(C(C=C2)=CC=C2OC(C)=O)O1)=C/C3=CC=C(C)C=C3,0.0
39610,CO-ADD:0160256,4.12,[O-][N+](C1=CC(/C=N/NC2=NC(N3CCOCC3)=NC(N4CCCC4)=N2)=C(OC)C=C1)=O,0.0
39611,CO-ADD:0160233,4.12,[O-][N+](C1=C(O)N=C(O)N=C1/C=C/C(C=C2)=CC=C2OCC)=O,0.0
39612,CO-ADD:0160649,4.12,O=C(C)N1N=C(N)CC1,0.0
39613,CO-ADD:0155546,4.12,[O-][N+](C1=CC2=C(C=C1)N(CNC3=CC(C(O)=O)=CC=C3)N=N2)=O,0.0
39614,CO-ADD:0155537,4.12,[O-][N+](C1=C(O)N=C(O)N=C1/C=C\C(C=C2)=CC=C2/C=N/C3=CC=C(N(CC)CC)C=C3)=O,0.0
39615,CO-ADD:0155377,4.12,O=C1N(C(C=C2)=CC=C2C(OCCCCCCC)=O)C(C3C4C(C=CC=C5)=C5C(C6=C4C=CC=C6)C13)=O,0.0
39616,CO-ADD:0155567,4.12,N#CC(C1(CCCCC1)C2C#N)=C(SCCC)NC2=O,0.0
39617,CO-ADD:0155764,4.12,[O-][N+](C(C=C1)=CC=C1/C=N/NC2=NC(N3CCOCC3)=NC(NC(C=C4)=CC=C4C)=N2)=O,0.0
39618,CO-ADD:0162696,4.12,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\C(\C)=C/c2ccco2)[N+](=O)[O-],0.0
39619,CO-ADD:0162720,4.12,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(=O)Nc3ccccc3,0.0
39620,CO-ADD:0162309,4.12,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\C(\C)=C\c2ccco2,0.0
39621,CO-ADD:0161397,4.12,c1(c(cccc1[N+](=O)[O-])C(O)=O)C(=O)Nc(cc2)ccc2[N+](=O)[O-],0.0
39622,CO-ADD:0161793,4.12,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c2cc(OC)ccc2O,0.0
39623,CO-ADD:0162990,4.12,c1(C(=O)N\N=C\c2cccc(OC)c2)nn(c(c3ccccc3)n1)c4ccccc4,0.0
39624,CO-ADD:0162998,4.12,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c2cccc(Cl)c2,0.0
39625,CO-ADD:0162833,4.12,c1(c(O)ccc(cccc2)c12)\C=N\c(cc3)ccc3C(OCCCC)=O,0.0
39626,CO-ADD:0163025,4.12,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(=O)c(cccn2)c2,0.0
39627,CO-ADD:0160393,4.12,O=C(NC(C=C1)=CC=C1OC2=CC=C(C=C2)C(C)(C)C(C=C3)=CC=C3OC4=CC=C(C=C4)NC(/C(NC(C5=CC=CC=C5)=O)=C\C6=CC=CC=C6)=O)/C(NC(C7=CC=CC=C7)=O)=C/C8=CC=CC=C8,0.0
39628,CO-ADD:0158328,4.12,O=C(COC1=CC=C(Cl)C=C1)N/N=C/C(C=C(OC)C=C2)=C2OCC3=CC=CC(OC)=C3,0.0
39629,CO-ADD:0158344,4.12,O=C(NC1=CC=C(C=C1)C(OCCCCCC)=O)NC2=CC(Cl)=C(Cl)C=C2,0.0
39630,CO-ADD:0155730,4.12,BrC1=CC=C(C=C1)C2=CSC(NC3=C(C)C=CC(C)=C3)=N2,0.0
39631,CO-ADD:0157643,4.12,O=C(N(C(O1)=O)C2=CC(Cl)=CC=C2)N1C3N(C4=CC(Cl)=CC=C4)C(N(CC(C)C)C3(C)C)=O,0.0
39632,CO-ADD:0155234,4.12,O=C(C1=CC=CN=C1)N/N=C(C)/C2=CC=C(C)O2,0.0
39633,CO-ADD:0159962,4.12,O=C(C1N2CCN(C3=CC(C(F)(F)F)=CC=C3)CC2)N(C4=CC=CC=C4OC)C(C1)=O,0.0
39634,CO-ADD:0159949,4.12,[O-][N+](C(C=C1)=CC=C1/C=N\NC2=NC(NC3=CC=CC=C3)=NC(NC4=CC=C(OC)C=C4)=N2)=O,0.0
39635,CO-ADD:0160326,4.12,[O-][N+](C(C=C1)=CC=C1C(NC(C=C2)=CC=C2OC3=CC=C(C=C3)C(C)(C)C(C=C4)=CC=C4OC5=CC=C(C=C5)NC(C6=CC=C(C=C6)[N+]([O-])=O)=O)=O)=O,0.0
39636,CO-ADD:0160273,4.12,ClC1=CC=C(Cl)C=C1C2=CC=C(/C=N/C3=CC(N=C(C4=CC(C)=CC=C4)O5)=C5C=C3)O2,0.0
39637,CO-ADD:0160178,4.12,O=C(CCCC(O)=O)NC1=CC=C(C=C1)C2=NC(C=C3)=C(C=C3C)S2,0.0
39638,CO-ADD:0160626,4.12,O=C(NCC1=CC=CO1)C2=C(Cl)C=C(Cl)C=C2,0.0
39639,CO-ADD:0155472,4.12,O=C(N(C(C=C1C)=CC=C1C)N=C2C)C2=CNC3=CC=CC(O)=C3,0.0
39640,CO-ADD:0155480,4.12,O=C(C1=CC(F)=CC=C1)N/N=C2C3=C(CCC/2)C(C)=C(OC)C=C3,0.0
39641,CO-ADD:0158568,4.12,O=C(N/N=C/C1=CC(I)=CC=C1O)C2=CC=CC=N2,0.0
39642,CO-ADD:0155385,4.12,O=C(NCC)C(C=C1)=CC=C1CSC(C=C2)=CC=C2Cl,0.0
39643,CO-ADD:0158557,4.12,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C2=CC=C(C)O2,0.0
39644,CO-ADD:0156151,4.12,N(CC1=CC=CC=C1)(CC2)C(C3=CC=CO3)N2CC4=CC=CC=C4,0.0
39645,CO-ADD:0156276,4.12,[O-][N+](C1=C(C)C(Cl)=C(C)C(/C=N/C2=C3C(C4=CC=C3)=C(CC4)C=C2)=C1O)=O,0.0
39646,CO-ADD:0155828,4.12,N#CC(C(C(C=CC=C1)=C1F)=C2)=C(SCC(F)(F)F)N=C2C3=CC=CS3,0.0
39647,CO-ADD:0155593,4.12,O=C(C1=CC=NC=C1)N2C(C3=CC=C(Cl)C=C3)(O)CC(C)=N2,0.0
39648,CO-ADD:0155768,4.12,O=C(O1)C2=C(OC)C(OC)=CC=C2C1NC3=CC=CC=C3C(OC)=O,0.0
39649,CO-ADD:0161370,4.12,c1(C#N)c(c2cccs2)cc(nc1SCc(ccc(c3Cl)Cl)c3)c4cccs4,0.0
39650,CO-ADD:0161402,4.12,N1(c2ccccc2C(O)=O)C(=O)c(c3C1=O)cccc3N,0.0
39651,CO-ADD:0161773,4.11,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
39652,CO-ADD:0163892,4.11,C(Oc(cccc1C(=O)Nc(cc2)ccc2OCC)c1)(=S)Nc(cc3)ccc3C(C)=O,0.0
39653,CO-ADD:0163988,4.11,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C/c2ccccc2OC,0.0
39654,CO-ADD:0161672,4.11,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c(cc2)ccc2OC,0.0
39655,CO-ADD:0155354,4.11,[O-][N+](C1=CC=CC(C(O)=O)=C1C(OC(C=C2)=CC=C2NC(C)=O)=O)=O,0.0
39656,CO-ADD:0155699,4.11,O=C(NC(C=CC=C1)=C1Cl)C2C(C(C=C3)=CC=C3C)(C4=CC=C(C)C=C4)C2,0.0
39657,CO-ADD:0155012,4.11,NC1=C(C(C2(C[C@@H]3C4)CC4CC(C3)C2)=O)SC5=C1C(C(C=C6)=CC=C6OC)=C7CCCC7=N5,0.0
39658,CO-ADD:0156060,4.11,BrC1=CC=C(C=C1)/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=CC(C)=C4,0.0
39659,CO-ADD:0156460,4.11,ClC1=C(C=CC(F)=C1)C2=NC(C=C3/N=C/C4=C(O)C(OC)=CC=C4)=C(C=C3)O2,0.0
39660,CO-ADD:0154923,4.11,N#CC1=C(N)SC(N)=C(C#N)C1C2=CC(Cl)=C(Cl)C=C2,0.0
39661,CO-ADD:0156274,4.11,ClC1=CC(Br)=CC(/C=N/C(C=C2)=CC=C2OC)=C1O,0.0
39662,CO-ADD:0155810,4.11,O=C(/C1=C\C2=CC=CC=C2Cl)N3C(S1)=NC4=C3C=CC=C4,0.0
39663,CO-ADD:0162593,4.11,n1c(ccc(C#N)c1SCc(ccc(c2Cl)Cl)c2)c3cccs3,0.0
39664,CO-ADD:0162697,4.11,C(=O)(c1ccc(cc1)Br)Nc(cc2)ccc2NC(C)=O,0.0
39665,CO-ADD:0162994,4.11,c1(OCC(=O)N\N=C\c(cc2)ccc2OC(COc3ccc(cc3Cl)Cl)=O)c(OC)cc(cc1Br)Br,0.0
39666,CO-ADD:0162357,4.11,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(NCCCCCCCCC)=O,0.0
39667,CO-ADD:0163505,4.11,C(COc1ccccc1OC)(=O)N\N=C\c(ccc(c2OCC(O)=O)OCC(O)=O)c2,0.0
39668,CO-ADD:0326794,4.11,n12c(SCC(c(cccc3[N+](=O)[O-])c3)=N1)nnc2COc(cc4)ccc4C(C)(C)C,0.0
39669,CO-ADD:0326282,4.11,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCC)C45CC6CC(CC(C6)C4)C5,0.0
39670,CO-ADD:0326835,4.11,N1(CC(C)OC(c(cccn2)c2)O1)C(=O)c(ccc(c34)OCO3)c4,0.0
39671,CO-ADD:0328959,4.11,c1(nnn2Cc3ccccc3)c2N=CN(c4ccccc4)C1=O,0.0
39672,CO-ADD:0326058,4.11,N1(C(=O)\C(\SC1=N)=C\c(ccc2c3cccc(F)c3)o2)c4nonc4NC(C)=O,0.0
39673,CO-ADD:0327248,4.11,c(OC(C(F)(F)F)C(F)(F)F)(nc(OC)nc1Nc(cc2)ccc2O)n1,0.0
39674,CO-ADD:0327369,4.11,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccccc4F)cc(c(C)c3)C,0.0
39675,CO-ADD:0326519,4.11,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)F,0.0
39676,CO-ADD:0327518,4.11,C(=N\OCc(cc1)ccc1C#N)(/C(C)=N2)\C(C)=Nc3c2cccc3,0.0
39677,CO-ADD:0320098,4.11,C1(=C(CC(c(cc2)ccc2C(C)(C)C)CC1=O)Nc(c3N4C(=O)\C=C\c5ccccc5)cccc3)C4c(cc6OC)cc(c6OC)OC,0.0
39678,CO-ADD:0319233,4.11,n(c(NC)nc(n1)NCCOC(CC(CC2C3)CC34)(C4)C2)c1OCC(F)(F)F,0.0
39679,CO-ADD:0320935,4.11,c12c(CCNC1c3ccc(c(OC)c3)F)cc(c(OCC)c2)OCC,0.0
39680,CO-ADD:0321442,4.11,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc2ccccc2)SC(C)(C)C,0.0
39681,CO-ADD:0321430,4.11,c1(c(F)c(F)nc(N(C)C)c1F)S(c2ccccc2)(=O)=O,0.0
39682,CO-ADD:0319427,4.11,c1(N(CC2)CCO2)nc(NCCOC(C3)(CC(CC34)CC5C4)C5)nc(OCC(F)(F)F)n1,0.0
39683,CO-ADD:0321098,4.11,n1(C(=O)COc2ccccc2C)c3c(nc1)cccc3,0.0
39684,CO-ADD:0318977,4.11,N1(c2ccc(cc2)OCC(O)COc(cc3)ccc3C)C(=O)c(c4C1=O)cccc4,0.0
39685,CO-ADD:0321147,4.11,N1(c2c(C)cc(cc2C)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cc(on4)C,0.0
39686,CO-ADD:0326036,4.11,c1(c2c(cccc2Cl)Cl)nnc(ccc(Cl)n3)n13,0.0
39687,CO-ADD:0326060,4.1,n1(CC=C)c(SCC(=O)Nc2sc(c3c2C(OCC)=O)CCCC3)nnc1c4cccs4,0.0
39688,CO-ADD:0326549,4.1,n1(CN2CCCCC2)nnc(c3ccc(cc3)Cl)n1,0.0
39689,CO-ADD:0328983,4.1,[N+](=O)([O-])c(cccc1C(=O)N(CC2)CCN2c3ccc(c(C)c3)C)c1,0.0
39690,CO-ADD:0328855,4.1,N(c1ccccc1)(CC2)CCN2CC(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
39691,CO-ADD:0326080,4.1,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)OC)cc(C(=O)Nc4sc(c5c4C(OCC)=O)CCCC5)n2,0.0
39692,CO-ADD:0328674,4.1,S(NCCc(c1c([nH]2)cccc1)c2)(=O)(=O)c(ccc(c3C(=O)Nc4ccccc4)Cl)c3,0.0
39693,CO-ADD:0328810,4.1,N(C(=O)c(ccc(c1Cl)Cl)c1)C(=O)Nc2cc([nH]n2)C,0.0
39694,CO-ADD:0328849,4.1,N1(CCCC(=O)N(c2c3cccc2)c4c(S3)cccc4)C(=O)c(c5C1=O)cccc5,0.0
39695,CO-ADD:0328122,4.1,N(CC1)(CCN1CC(=O)Nc(cc2)ccc2OC(F)(F)F)c3ccc(cc3)Cl,0.0
39696,CO-ADD:0323890,4.1,C1(C(F)(F)F)(C(F)(F)F)NC(C(Cl)C12)C(C2)OC,0.0
39697,CO-ADD:0323911,4.1,C1(=C(C)NC(NC1=O)=O)S(NCCc(c2c([nH]3)ccc(OC)c2)c3C)(=O)=O,0.0
39698,CO-ADD:0324055,4.1,c1(scc(c(ccc(c2F)F)c2)n1)NC(=O)c3ccc(cc3)Br,0.0
39699,CO-ADD:0324560,4.1,c1(cc(O)c(c2c1NS(=O)(=O)c3ccc(cc3)Cl)cccc2)S(=O)(=O)c4ccc(cc4)C,0.0
39700,CO-ADD:0324089,4.1,n1c(O)cc(nc1SCC(=O)c(cc2)ccc2C(C)C)C,0.0
39701,CO-ADD:0324609,4.1,S(=O)(=O)(c(cc1)ccc1N2CCCC2=O)Nc3cc(on3)C,0.0
39702,CO-ADD:0324193,4.1,C(C(OC)=O)(C1c2ccc(cc2)F)=CN(C=C1C(OC)=O)C34CC5CC(CC(C5)C3)C4,0.0
39703,CO-ADD:0324225,4.1,n1(c2ccc(c(C)c2)C)nnnc1SCC(NCCc3ccccc3)=O,0.0
39704,CO-ADD:0319010,4.1,N1(CCOc2ccccc2OC)C(=O)c(c(c3)C1=O)cc(c3C(N4CCOc5ccccc5OC)=O)C4=O,0.0
39705,CO-ADD:0321163,4.1,C(/C(OC)=O)(\C(F)(F)F)=C(\F)/Sc(cc1C)cc(c1O)C,0.0
39706,CO-ADD:0319963,4.1,c(cc(OC)c(c1OC)OC)(c1Br)C(=O)Nc2ccc(c(OC)c2)OC,0.0
39707,CO-ADD:0319147,4.1,c1(NC(CSc2nc(CCC)cc(O)n2)=O)nonc1N,0.0
39708,CO-ADD:0319115,4.1,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccc(cc2)F)N(C)C3CCCCC3,0.0
39709,CO-ADD:0329289,4.1,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c3ccccc3OCCOc4ccccc4OC)\C1=N,0.0
39710,CO-ADD:0329954,4.1,C(=O)(Nc(cc1)ccc1CC#N)c2ccccc2Br,0.0
39711,CO-ADD:0329298,4.1,C(=C/c(ccc1c(ccc(c2C(O)=O)Cl)c2)o1)(/C3=O)\C(=O)OC4(CCCCC4)O3,0.0
39712,CO-ADD:0326696,4.1,c(sc(c12)nc(cc1C(F)(F)F)c3ccccc3)(c2N)c4nc(N)nc(N(CC5)CCO5)n4,0.0
39713,CO-ADD:0326616,4.1,n1(CC=C)c(SCC(=O)Nc(ccc(c2Cl)F)c2)nnc1c3cccs3,0.0
39714,CO-ADD:0326306,4.1,c1(c2c(cs1)CCCC2)C(=O)N(CC3)CCN3c4ccc(cc4)F,0.0
39715,CO-ADD:0328860,4.1,c1(C(=O)c2ccc(Br)s2)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)cccc3,0.0
39716,CO-ADD:0328924,4.1,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OC(CC)=O,0.0
39717,CO-ADD:0328142,4.1,c1(NC(=O)c(cccc2S(=O)(=O)Nc(cccc3C(O)=O)c3)c2)sc(c4c1C#N)CC(CC4)C,0.0
39718,CO-ADD:0328158,4.1,S(=O)(=O)(N(CC1)CCC1C(=O)Nc2ccccc2F)c3ccc(c4c3cccn4)OC,0.0
39719,CO-ADD:0328252,4.1,c12n(c3c(cccc3)nn1)cc(C(N4C)=O)c2N(C)C4=O,0.0
39720,CO-ADD:0328039,4.1,S(=O)(=O)(N(CC1)CCN1c2ccc(cc2)F)c3c(C)ccc(nsn4)c34,0.0
39721,CO-ADD:0318694,4.1,c12c([nH]nc1c3cccs3)OC(=C(C#N)C24c5c(NC4=O)ccc(c5)[N+](=O)[O-])N,0.0
39722,CO-ADD:0318822,4.1,c1(C(OCC)=O)c(c2ccccc2)csc1NC(COc3ccc(cc3F)F)=O,0.0
39723,CO-ADD:0323600,4.1,c(Nc(cc1)ccc1OC(F)(Cl)F)(nc(OCC(F)(F)F)nc2NC(C)CC)n2,0.0
39724,CO-ADD:0320037,4.1,N1C(c2ccc(c(OC)c2)OCc3ccccc3Cl)SCC1C(O)=O,0.0
39725,CO-ADD:0319654,4.1,N1(Cc(cc2)ccc2F)C(=O)c(cc(OC)c(c3)OC)c3N(Cc(cc4)ccc4F)C1=O,0.0
39726,CO-ADD:0319814,4.1,C1(C2(C)C)=C(C(SS1)=S)c3c(cc(c(C)c3)C)N2C(=O)CSc4[nH]ncn4,0.0
39727,CO-ADD:0324594,4.09,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
39728,CO-ADD:0324115,4.09,S(N)(=O)(=O)c1ccc(cc1)CCNC(=S)NC(=O)c2cccs2,0.0
39729,CO-ADD:0319670,4.09,N(c1c(cccc1)NC(CC(c2ccc(cc2)C)CC3=O)=C34)(C(=O)c(cc5OC)cc(c5OC)OC)C4c(cccn6)c6,0.0
39730,CO-ADD:0323010,4.09,C1(c2ccccc2)(CC1)NC(=O)Nc(cccc3C(F)(F)F)c3,0.0
39731,CO-ADD:0324291,4.09,C(=N/OCc1ccccc1F)(/C(C)=Nc(c23)cccc2)\C(C)=N3,0.0
39732,CO-ADD:0324156,4.09,n1(c2c(n3)cccc2)c3S\C(=C/c(cn(n4)C(CC)=O)c4c5ccc(cc5)F)\C1=O,0.0
39733,CO-ADD:0320462,4.09,C(=O)(c(cc1)ccc1C(F)(F)F)N(CC2)CCO2,0.0
39734,CO-ADD:0318901,4.09,c1(nc(c2n1CC(=O)Nc3ccccc3OCCCC)cccc2)c4nonc4N,0.0
39735,CO-ADD:0318909,4.09,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5)OCc6ccccc6F,0.0
39736,CO-ADD:0320440,4.09,N12C(S\C(=C/c(ccc3c4ccc(cc4)F)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
39737,CO-ADD:0320448,4.09,c1(C(=O)NCc2ccco2)c3c(cs1)CCCC3,0.0
39738,CO-ADD:0326633,4.09,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)NCc4cccs4)n2,0.0
39739,CO-ADD:0328429,4.09,c1(N(CC=C)C(=O)COc2ccccc2)nnc(c(cc3)ccn3)s1,0.0
39740,CO-ADD:0328958,4.09,N(CC1O)(CC(N1CCc2ccccc2)=O)C(C3CCCCC3)=O,0.0
39741,CO-ADD:0328382,4.09,N12c(c(C(C)CC1(C)C)cc(c3)C)c3C(=O)C2=O,0.0
39742,CO-ADD:0328102,4.09,[nH]1c(cccc2)c2c3c1ccc(c3)CNCCNCCO.Cl.Cl,0.0
39743,CO-ADD:0327125,4.09,C(Nc1ccc(cc1OC)OC)(OC(C)=CC2=O)=C2C(C)=O,0.0
39744,CO-ADD:0326322,4.09,C(NCCc(c1c([nH]2)cccc1)c2)(C(F)(F)F)(C(F)(F)F)NC(=O)c3cccc(Cl)c3,0.0
39745,CO-ADD:0327311,4.09,C1(c2cc(Cl)ccc2OC)=NNC(=S)N1c(cccc3C(F)(F)F)c3,0.0
39746,CO-ADD:0328156,4.09,S(=O)(=O)(N(CC1)CCC1C(=O)Nc(cc2)ccc2F)c3ccc(c4c3cccn4)OC,0.0
39747,CO-ADD:0329583,4.09,S(=O)(=O)(Nc(cc1)ccc1OCC(O)=O)c2c(C)cc(c(C)c2)OC,0.0
39748,CO-ADD:0327890,4.09,C(c1ccccc1)(=O)Nc2cccc(c2)OCC(NCCOc3ccccc3)=O,0.0
39749,CO-ADD:0327659,4.09,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1CCCO)CC,0.0
39750,CO-ADD:0319204,4.09,c1(NC(=O)c2ccoc2C)sc(c3c1C(OC)=O)CCCC3,0.0
39751,CO-ADD:0319222,4.09,C1(SCC(=O)Nc(cc2)ccc2Sc(cc3)ccc3NC(CSC4=NCCS4)=O)=NCCS1,0.0
39752,CO-ADD:0321132,4.09,C1(CC(C)=C(CC1C(O)=O)C)C(=O)Nc(cc2)ccc2C(OCCCC)=O,0.0
39753,CO-ADD:0320046,4.09,c12c(CCNC1c3ccc(cc3)F)cc(c(OC)c2)OCC,0.0
39754,CO-ADD:0320102,4.09,N(c1c(cccc1)NC(CC(c(cc2)ccc2C(C)(C)C)CC3=O)=C34)(C(=O)C5CC5)C4c6ccc(cc6)F,0.0
39755,CO-ADD:0324404,4.09,c12c(n(c(Nc(cc3)ccc3C)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
39756,CO-ADD:0324601,4.09,N(c(cc1)ccc1N)=Nc(cc2)ccc2C,0.0
39757,CO-ADD:0323814,4.09,N1(OC(C)=O)C(C)(C)CC(CC1(C)C)OC(=O)c2ccco2,0.0
39758,CO-ADD:0323074,4.09,N(CCc1ccccc1)Cc2ccccc2.Cl,0.0
39759,CO-ADD:0324155,4.09,n1c(c2ccc(cc2)C)nnn1CC(=O)Nc(cc3)ccc3OC(F)(F)Cl,0.0
39760,CO-ADD:0318677,4.09,c1(C2c3ccc(cc3)Cl)c([nH]nc1c4ccc(c(OC)c4)OCC)OC(N)=C2C#N,0.0
39761,CO-ADD:0318741,4.09,c1(Cl)c(C)cc(cc1C)OCC(=O)Nc2ccc(cn2)Br,0.0
39762,CO-ADD:0320480,4.09,n1(c(cccc2C(F)(F)F)c2)c3c(cn1)ccc(c3)[N+](=O)[O-],0.0
39763,CO-ADD:0320496,4.09,C(=N/c(cc1)ccc1I)(/SC(C(=O)Nc(cc2)ccc2OC(F)(F)Cl)CC3=O)\N3C,0.0
39764,CO-ADD:0325940,4.09,S(NCCN(CC1)CCO1)(=O)(=O)c2c(OC)ccc(Cl)c2,0.0
39765,CO-ADD:0327439,4.09,C1(CCC(NC1c2ccccc2OCC)=O)[N+](=O)[O-],0.0
39766,CO-ADD:0327136,4.09,c12c(cccc1OC)C(C)=CC(C)(C)N2,0.0
39767,CO-ADD:0327168,4.08,C(C(=O)c1ccc(cc1)Cl)(C2c3cccc(OC)c3)=C(O)C(N2c4ccc(cc4)OCC(O)=O)=O,0.0
39768,CO-ADD:0329570,4.08,S(=O)(=O)(c1ccc(cc1)OCC)NC(c(cccc2[N+](=O)[O-])c2)CC(OCC)=O,0.0
39769,CO-ADD:0327231,4.08,c(C1)(c(ccc2C(c3ccccc3)=O)OCC(=O)N1)c2,0.0
39770,CO-ADD:0327512,4.08,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3Oc4c(Cl)cc(cn4)Cl)n2)Cc5ccccc5F,0.0
39771,CO-ADD:0328761,4.08,N1(C(c(cc2)ccc2N(C)C)C(=O)Nc3c(C)cccc3C)C(c4ccco4)CC1=O,0.0
39772,CO-ADD:0329520,4.08,c1(C(F)(F)F)nc(c2n1CC(=O)Nc(cc3)ccc3C(OCC)=O)cccc2,0.0
39773,CO-ADD:0329731,4.08,C1(O)C(NCCc2ccccc2)OC(C(O)C1O)C,0.0
39774,CO-ADD:0329348,4.08,C(=O)(\N=C(\Nc1ccccc1)/Nc2nc(C)cc(C)n2)N(c3c4cccc3)c5c(S4)cccc5,0.0
39775,CO-ADD:0319477,4.08,S(c1ccccc1)(=O)(=O)N(C)c(cc2)ccc2C(OC)=O,0.0
39776,CO-ADD:0319606,4.08,c1(cccc(nsn2)c12)S(NCCc(ccc(c3OCC)OCC)c3)(=O)=O,0.0
39777,CO-ADD:0324354,4.08,N1(CC(=O)NCc2ccccn2)C(=O)c3c(C(c4ccc(cc4)Cl)=N1)cccc3,0.0
39778,CO-ADD:0321379,4.08,c1(C(N)C(=O)NC2=O)c2n(cn1)CCN(C)C,0.0
39779,CO-ADD:0318862,4.08,c(c1c(cc2)ccn2)(C3c4ccc(c(O)c4)O)c([nH]n1)OC(N)=C3C#N,0.0
39780,CO-ADD:0318902,4.08,c12c(nnc(SCC(=O)Nc3cccc(F)c3)n1)c(c4n2C(C)C)cccc4,0.0
39781,CO-ADD:0318830,4.08,C1(NC(=O)C(C)Oc(cc2)ccc2F)=C(C)N(N(c3ccccc3)C1=O)C,0.0
39782,CO-ADD:0328543,4.08,o(c(c(cc1)ccc1C(OCC)=O)nn2)c2c3cccc(F)c3,0.0
39783,CO-ADD:0328688,4.08,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c(cccc3C(=O)Nc(cccc4[N+](=O)[O-])c4)c3,0.0
39784,CO-ADD:0328202,4.08,S(=O)(=O)(c1ccc(cc1)Cl)c2cc(cc(C(C)C)c2O)NS(c3ccccc3)(=O)=O,0.0
39785,CO-ADD:0328705,4.08,C(=O)(Cc1ccccc1OC)Nc(cc2)ccc2CC#N,0.0
39786,CO-ADD:0328522,4.08,C1(O)(C(F)(F)F)C(=O)N2C(C(=O)N1)CCC2,0.0
39787,CO-ADD:0329528,4.08,C1(C(=O)N(C)C(N2C)=O)=C2NC(=O)C1(NC(CC)=O)C(F)(F)F,0.0
39788,CO-ADD:0327640,4.08,c1(c(cccc2C)c2[nH]3)c3CCN(C)C1.Cl,0.0
39789,CO-ADD:0327953,4.08,C(O)(C(OC)=O)(c(c1)cc(c(O)c1C)C)C(F)(F)F,0.0
39790,CO-ADD:0329708,4.08,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(c(OC)c3)OC)cc2C(=O)N(C)c4ccc(cc4)OC(Cl)(F)F,0.0
39791,CO-ADD:0327300,4.08,N(c1cccc(C)c1)(C(=O)C(C23)C(c4cc(Br)ccc4O)NC2(C)C(O)=O)C3=O,0.0
39792,CO-ADD:0327492,4.08,S1(=O)(=O)c2c(c3N1CC(=O)Nc4ccccc4F)c(ccc2)ccc3,0.0
39793,CO-ADD:0329596,4.08,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3c(Cl)ccc(c3)[N+](=O)[O-],0.0
39794,CO-ADD:0327275,4.08,N1(c2ccc(cc2)F)C(=O)\C(\SC1=S)=C/c(cc(OCO3)c3c4)c4Br,0.0
39795,CO-ADD:0319461,4.08,C(=O)(C=C(c1ccco1)CC2c3ccccc3)C2C(C)=O,0.0
39796,CO-ADD:0318997,4.08,c1(ccccc1Br)C(NCCOc2cc(C)ccc2C(C)C)=O,0.0
39797,CO-ADD:0319333,4.08,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc2ccccc2F,0.0
39798,CO-ADD:0321006,4.08,c1(N(CC2)CCO2)c(cc(c3n1)cccc3)\C=C(/C#N)\c4ccc(c(OC)c4)OC,0.0
39799,CO-ADD:0321016,4.08,C(F)(F)(F)c(ccc(c1NC(=O)c(cccn2)c2)OC)c1,0.0
39800,CO-ADD:0321056,4.08,n1c(C)nc(c2c1SCCOc(cc3)ccc3C(C)(C)C)cccc2,0.0
39801,CO-ADD:0321064,4.08,C(C(OC)=O)(=CN(CCC(C1)(CC(C2)CC3CC12)C3)C=C4C(OC)=O)C4c(cccc5[N+](=O)[O-])c5,0.0
39802,CO-ADD:0323389,4.08,c12c(cc(cc1NC(=O)c(ccc(c34)OCO3)c4)[N+](=O)[O-])oc(c5ccccc5)c2,0.0
39803,CO-ADD:0319180,4.08,c1(NC(COc(cc2C)cc(c2Cl)C)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
39804,CO-ADD:0319068,4.08,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3Oc4ccccc4,0.0
39805,CO-ADD:0319076,4.08,S(NCCOc(cc1)ccc1C(C)(C)C)(=O)(=O)c2ccccc2[N+](=O)[O-],0.0
39806,CO-ADD:0319972,4.08,c1(C2c3cccc(OC)c3OCC)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
39807,CO-ADD:0319387,4.08,N(Cc1ccccc1)(C(c2ccc(cc2)Cl)=NN3CN(CC4)CCC45OCCO5)C3=S,0.0
39808,CO-ADD:0321093,4.08,c1(NC(COc2ccccc2C)=O)sc(c3c1C#N)CCC3,0.0
39809,CO-ADD:0318928,4.08,C(/S\C(\C1=O)=C/c(cc2)ccc2OCc3ccccc3F)(=N\C(CC)=O)\N1,0.0
39810,CO-ADD:0327869,4.08,c1(nnc(CCC)s1)N(Cc(cc2)ccc2Cl)C(=O)c3ccc(cc3)C,0.0
39811,CO-ADD:0327862,4.08,S(=O)(=O)(c1ccc(cc1)NC(=S)NC(=O)c2cc(Cl)ccc2OC)NC(C)=O,0.0
39812,CO-ADD:0327894,4.08,N1(c2ccc(cc2)F)C(=O)C(SC13CCCCC3)C,0.0
39813,CO-ADD:0328762,4.08,N1(c2c(cccc2)CCc(cccc3)c13)C(=O)CN4CCc(c5C4)cccc5,0.0
39814,CO-ADD:0328852,4.08,N1c(ccc(c2)C(=O)OCC(C)C)c2C3C(CC=C3)C1c4ccc(cc4)Cl,0.0
39815,CO-ADD:0328010,4.08,c1(SCC(NCCOC(C2)(CC(C3)CC4CC23)C4)=O)sc(c5n1)cccc5,0.0
39816,CO-ADD:0329697,4.07,c([N+](=O)[O-])(c(C)nn1CC(=O)N(C)c2ccc(cc2)OC(F)(F)Cl)c1C,0.0
39817,CO-ADD:0327732,4.07,n1(c2c(nc1N)cccc2)\C=C(\C#N)/C(=O)c3cccc(C)c3,0.0
39818,CO-ADD:0327764,4.07,N1(N=C(S2)CCCC)C2=NC(=O)\C(=C\c(ccc3Sc(cc4[H])ccc4Cl)o3)\C1=N,0.0
39819,CO-ADD:0319527,4.07,n1(nnc(C(OCC)=O)c1CN2CCc(c3C2CN4C(=O)c5c(cccc5)C4=O)cccc3)c6nonc6N,0.0
39820,CO-ADD:0319063,4.07,c12c(n(c(N(CC3)CCO3)n1)CC\N=C(/CCC4)\N4)C(N(C)C(=O)N2C)=O,0.0
39821,CO-ADD:0319480,4.07,C(NCCOc(cc1)ccc1Cl)(=O)c2ccc(cc2)Oc(cc3)ccc3C(NCCOc(cc4)ccc4Cl)=O,0.0
39822,CO-ADD:0324829,4.07,N1(N=C(S2)CCCCCCC)C2=NC(=O)\C(=C/c3cccc(C)c3)\C1=N,0.0
39823,CO-ADD:0319221,4.07,S(=O)(=O)(Nc(cc1)ccc1Oc2ccccc2)c3ccc(c4c3)cccc4,0.0
39824,CO-ADD:0319565,4.07,n1c(c2ccc(c(OC)c2)OC)nnn1CC(=O)Nc(cc3)ccc3OC(F)(F)Cl,0.0
39825,CO-ADD:0319214,4.07,[N+](=O)([O-])c1c(F)ccc(c1)NC(CSc2ccccn2)=O,0.0
39826,CO-ADD:0319380,4.07,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2c3sc4c(ccc(C)c4)n3)nnc1c5ccccc5,0.0
39827,CO-ADD:0320005,4.07,S(NCCO)(=O)(=O)c1ccc(c2c1cccn2)OC,0.0
39828,CO-ADD:0319950,4.07,c1(C2c3ccc(cc3)F)c([nH]nc1c4ccc(c(OC)c4)OCC)OC(N)=C2C#N,0.0
39829,CO-ADD:0327622,4.07,S(=O)(=O)(N(CC1)CCO1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(=O)NCc5ccccn5)=O)=N4)c2,0.0
39830,CO-ADD:0327926,4.07,n1c(N2CCCCC2)nc(nc1N3CCCCC3)NCC=C,0.0
39831,CO-ADD:0328063,4.07,S(=O)(=O)(NC(CC)C12CC3CC(CC(C3)C1)C2)c4ccc(c(cccc5)c45)Cl,0.0
39832,CO-ADD:0327927,4.07,c(N(CC1)CCO1)(nc(C(N)=O)nc2N(CC3)CCO3)n2,0.0
39833,CO-ADD:0329410,4.07,N1(CCN2C(=O)CSC2c3ccc(cc3)Cl)C(=O)CSC1c4ccc(cc4)Cl,0.0
39834,CO-ADD:0329602,4.07,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3ccc(c(OC)c3)OC,0.0
39835,CO-ADD:0329616,4.07,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3c(OC)ccc(OC)c3,0.0
39836,CO-ADD:0326599,4.07,c1(c2ccccc2)nc([nH]c1c3ccccc3)SCc(cc4)ccc4C#N,0.0
39837,CO-ADD:0326735,4.07,c1(SCC(NCCC(C2)(C3)CC(CC3C4)CC24)=O)[nH]c(c5n1)ccc(OCC)c5,0.0
39838,CO-ADD:0320493,4.07,C1(=Cc(cccc2)c2OC1c(ccc(c34)OCO3)c4)[N+](=O)[O-],0.0
39839,CO-ADD:0321032,4.07,N1(C)C(=O)CC(N(CC2)CCN2C34CC5CC(CC(C5)C3)C4)C1=O,0.0
39840,CO-ADD:0324079,4.07,c12c(c(ccc1)CC3)c3ccc2C(OC)=O,0.0
39841,CO-ADD:0319699,4.07,N(c1c(cccc1)NC(CC(c2ccc(cc2)Cl)CC3=O)=C34)(C(c5ccccc5)=O)C4c6ccc(c(OCC)c6)OCc(cc7)ccc7Cl,0.0
39842,CO-ADD:0324784,4.07,n1c(N2CCCCCC2)nc(nc1N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)Nc(cc7)ccc7OC(Cl)(F)F,0.0
39843,CO-ADD:0319102,4.07,c1(cccc(cccc2)c12)CC(NCCOc(cc3)ccc3C)=O,0.0
39844,CO-ADD:0319536,4.07,[N+](=O)([O-])CC(O)c1ccc(c(OCC)c1)OCC,0.0
39845,CO-ADD:0319431,4.07,c1(c2c(cs1)CCCC2)C(=O)Nc3ccccc3C,0.0
39846,CO-ADD:0319341,4.07,c1(C(OC)=O)c(cc(O)cc2)c2n(CCOc3cc(C)ccc3C(C)C)c1C,0.0
39847,CO-ADD:0319381,4.07,N(CC1)(CCN1CC(=O)Nc(cc2)ccc2C)C(OCC)=O,0.0
39848,CO-ADD:0320504,4.07,C(=N/c(cc1)ccc1OC)(/SC(C(=O)Nc(cc2)ccc2OC(Cl)(F)F)CC3=O)\N3CC,0.0
39849,CO-ADD:0328358,4.07,N12C(SC(C(F)(F)F)=N1)=NC(=O)\C(=C\c(ccc(c3OCC)OCc(cc4)ccc4F)c3)\C2=N,0.0
39850,CO-ADD:0327782,4.07,S(c1ccccc1)(=O)(=O)c2cc(cc(C)c2O)NS(c3ccccc3)(=O)=O,0.0
39851,CO-ADD:0326780,4.07,c1(n2)c(C(N(C)C(=O)N1C)=O)n(c23)CCN3c4ccc(cc4)OC,0.0
39852,CO-ADD:0327496,4.07,c1(C(OCCN(C)C)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1C.Cl,0.0
39853,CO-ADD:0327210,4.07,[n+]1(CCS2)c2nc(C)cc1N.[Br-],0.0
39854,CO-ADD:0328517,4.07,C(F)(F)(F)c(ccc(c1Cl)SCC(=O)Nc(ccc(c2Cl)F)c2)c1,0.0
39855,CO-ADD:0327644,4.07,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)N(CC)Cc2ccccc2,0.0
39856,CO-ADD:0327821,4.07,c1([C@H]([C@H](C[C@@H]23)[C@H](C)C2(C)C)C3)cc(C(C)=CC(=O)O4)c4cc1O,0.0
39857,CO-ADD:0325935,4.07,n1(C(=O)COc2ccc(cc2C)Cl)c3c(nc1)cccc3,0.0
39858,CO-ADD:0319449,4.06,C(=O)(c1cccs1)N(CC2)CCN2c3ccc(cc3F)C(CC)=O,0.0
39859,CO-ADD:0320067,4.06,n1(c(cccc2[N+](=O)[O-])c2)cc(c(c3)n1)ccc3[N+](=O)[O-],0.0
39860,CO-ADD:0320562,4.06,[nH](c(ccc(c1)F)c1c2CCN)c2C,0.0
39861,CO-ADD:0320147,4.06,C12=C(CC(C)(C)CC1=O)Nc(c3C2c4cccc(Cl)c4Cl)ccc5c3cccn5,0.0
39862,CO-ADD:0319561,4.06,n1(c2ccc(c3c2)OCO3)nnnc1SCC(=O)Nc(cc4)ccc4OC(F)(F)Cl,0.0
39863,CO-ADD:0319066,4.06,c1(c2c(cs1)CCCC2)C(=O)N3CCCCC3,0.0
39864,CO-ADD:0318791,4.06,c1(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])sc(c3c1C(OC)=O)CCCC3,0.0
39865,CO-ADD:0326300,4.06,C1(=C(C)NC(NC1c2ccccc2Cl)=O)C(=O)OC3CCCC3C,0.0
39866,CO-ADD:0326108,4.06,S1(=O)(=O)c2c(c3N1CC(=O)N4c5c(C(CN(C)CC6)C46)cc(C)cc5)c(ccc2)ccc3,0.0
39867,CO-ADD:0326302,4.06,n1c(c2ccc(cc2)F)nnn1CC(O)=O,0.0
39868,CO-ADD:0329033,4.06,N1(CC)\C(=N/CC)\S\C(=C\c(ccc2c3ccc(cc3)F)o2)\C1=O,0.0
39869,CO-ADD:0326597,4.06,N1(\N=C\c2ccccc2Cl)C(=O)C(C(C)(C)C)=Nn(cnn3)c13,0.0
39870,CO-ADD:0326629,4.06,c12n(c(nn1)SCC(=O)c3ccc(cc3)Cl)c(nc4c2c5c(s4)CCC5)C,0.0
39871,CO-ADD:0328533,4.06,c1(ccc(Cl)s1)\C(\C)=N\NC(N)=S,0.0
39872,CO-ADD:0328765,4.06,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)NC(c4ccc(cc4)C)CC(OCC)=O,0.0
39873,CO-ADD:0329515,4.06,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc3nnc(C(C)C)s3,0.0
39874,CO-ADD:0329547,4.06,N1(C(C)C(O)=O)C(=O)C2C(C(CC23)C4C3N=NN4c(cc5)ccc5[N+](=O)[O-])C1=O,0.0
39875,CO-ADD:0320850,4.06,C(=O)(Nc1cccc(Cl)c1)NC(CO)(CO)CO,0.0
39876,CO-ADD:0321451,4.06,C(=C\C(=O)c1ccc(cc1)F)(/C2=O)\Nc(c(ccc3S(CC)(=O)=O)O2)c3,0.0
39877,CO-ADD:0320342,4.06,c1(ccccc1NC(=O)c2ccc(cc2)F)C(NCCN(CC3)CCO3)=O,0.0
39878,CO-ADD:0319879,4.06,c(NC(C)(C)C)(nc(OCC(F)(F)F)nc1Nc(cc2)ccc2OC(F)(F)Cl)n1,0.0
39879,CO-ADD:0320931,4.06,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)Nc3cccc(OC(C)C)c3,0.0
39880,CO-ADD:0321370,4.06,C(=N\c(cc1Cl)cc(c1O)Cl)(/SC(C(=O)Nc(cc2)ccc2OC(F)(F)Cl)CC3=O)\N3CC,0.0
39881,CO-ADD:0319578,4.06,c1(SCC(=O)Nc(cc2)ccc2OC(F)(F)F)[nH]c(c3n1)ccc(OC)c3,0.0
39882,CO-ADD:0320437,4.06,n1(c2ccccc2C)ncc3c1cc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
39883,CO-ADD:0326294,4.06,C(F)(F)(F)c(cc1)ccc1C(=O)NC2CC2,0.0
39884,CO-ADD:0326622,4.06,c1(c2ccccc2)cc(c(cc3OCC)cc(c3O)Br)nc(ccc(cccc4)c45)c15,0.0
39885,CO-ADD:0329654,4.06,c1(n(CCCCc2nnc(N)s2)c3c(cccc3)n1)c4nonc4N,0.0
39886,CO-ADD:0329670,4.06,c1(Oc(cc2)ccc2OC(=O)c(cc3)ccc3C(C)(C)C)c(Cl)cc(cn1)Cl,0.0
39887,CO-ADD:0329998,4.06,N1(c(cc2)ccc2[N+](=O)[O-])C(c3ccc(cc3)Br)N4N(CCC4)C1=S,0.0
39888,CO-ADD:0319160,4.06,N1C(c2ccc(c(OCC)c2)OCc(cc3)ccc3Cl)SCC1C(O)=O,0.0
39889,CO-ADD:0318967,4.06,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCO)c4cccs4,0.0
39890,CO-ADD:0320835,4.06,[N+](=O)([O-])c1c(NCCNc2ccc(cc2C(F)(F)F)[N+](=O)[O-])ccc(c1)C(F)(F)F,0.0
39891,CO-ADD:0324057,4.06,N1(CC)C(=O)C(N(Cc(cc2)ccc2OC)C1=S)CC(=O)Nc(cc3)ccc3OCCC,0.0
39892,CO-ADD:0320341,4.06,C(=O)(N1CCCCCC1)c2ccccc2NC(=O)c3ccc(cc3)F,0.0
39893,CO-ADD:0320327,4.06,S(=O)(=O)(c1ccc(cc1)Cl)NC(c2ccc(cc2)OCC(OC)=O)C(Cl)(Cl)Cl,0.0
39894,CO-ADD:0320252,4.06,N1c(cccc2)c2C(OC1c3ccc(cc3)OCC)(CC)CC,0.0
39895,CO-ADD:0321210,4.06,c1(SCCOc(cc2)ccc2C)n(CC)c3c(cccc3)n1,0.0
39896,CO-ADD:0323806,4.06,C1(=Cc(c2OC1c3ccc(c(OC)c3)OCC)cc(cc2Br)Br)[N+](=O)[O-],0.0
39897,CO-ADD:0318794,4.05,c1(NC(COc(cc2)cc(c2[N+](=O)[O-])C)=O)sc(c(C)c1C(OC)=O)C,0.0
39898,CO-ADD:0320161,4.05,C1(C2c(cc3)ccc3C(OC)=O)=C(CCCC1=O)Nc(ccc4c5ccc(n4)C)c25,0.0
39899,CO-ADD:0326755,4.05,c1(C(=O)c2sc(c3n2)cccc3)cn(nc1C(OCC)=O)c4ccc(cc4)Br,0.0
39900,CO-ADD:0326268,4.05,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)O)c5ccc(cc5)OC,0.0
39901,CO-ADD:0326087,4.05,C(F)(F)(Cl)Oc(cc1)ccc1NC(=O)CN2CCCCC2.Cl,0.0
39902,CO-ADD:0326504,4.05,C(C#N)(C(c(ccs1)c1)C2=C(N3c4ccccc4F)CCCC2=O)=C3N,0.0
39903,CO-ADD:0326400,4.05,C(C(NCCCC(=O)[O-])=O)(NC1=O)=CC(N1)=O.[Na+],0.0
39904,CO-ADD:0328919,4.05,S(=O)(=O)(NC(C1)(C2)CC(C3)CC1CC23)c4c(C)ccc(nsn5)c45,0.0
39905,CO-ADD:0329932,4.05,N(CCc(c12)cc(c(OC)c1)OC)(c3c(cc(C#N)c(C#N)c3)Oc(ccc(c4)[N+](=O)[O-])c45)C25,0.0
39906,CO-ADD:0329220,4.05,N(c1cccc(Cl)c1)(C(=O)C(C23)C(c4cc(Br)ccc4O)NC2(CC(C)C)C(O)=O)C3=O,0.0
39907,CO-ADD:0319577,4.05,N12C(S\C(=C/c(ccc3c(cc4)ccc4C(OCC)=O)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
39908,CO-ADD:0324552,4.05,c12c(nnc(SCC(=O)Nc3c(C)cc(cc3C)C)n1)c4c(cccc4)n2CC(O)=O,0.0
39909,CO-ADD:0324409,4.05,c1(n(CC)c2c(cccc2)n1)c3nonc3NC(=O)c4ccccc4Cl,0.0
39910,CO-ADD:0324563,4.05,C(CCNC(=S)Nc(cc1)ccc1Cl)(C2)(C3)CC(CC3C4)CC24,0.0
39911,CO-ADD:0323801,4.05,C1(N(CCCC)C(N2)=O)C2N(C(=O)N1)CCCC,0.0
39912,CO-ADD:0318971,4.05,N1(CC(O)COc2cccc(C)c2)C(=O)c(c3C1=O)cccc3,0.0
39913,CO-ADD:0326860,4.05,c1(C(OC)=O)oc(c2c1NC(Cc(ccc(c3OCC)OCC)c3)=O)ccc(Cl)c2,0.0
39914,CO-ADD:0326029,4.05,c1(ccccc1SC)C(NCCOc2cc(C)ccc2C(C)C)=O,0.0
39915,CO-ADD:0328683,4.05,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c(ccc(c4C(=O)Nc5ccccc5)Cl)c4,0.0
39916,CO-ADD:0329637,4.05,n1(CC=C)c(SCC(NCCc(ccc(c2OC)OC)c2)=O)nnc1c(cccn3)c3,0.0
39917,CO-ADD:0329615,4.05,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3c(C)cc(c(OC)c3)C,0.0
39918,CO-ADD:0329423,4.05,C12(CC3CC(CC(C3)C1)C2)C(=O)N(CC4)CCN4c5cc(C)ccc5C,0.0
39919,CO-ADD:0330007,4.05,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)C)n(c3c1S(CCC)(=O)=O)ccc(C(C)(C)C)c3,0.0
39920,CO-ADD:0329756,4.05,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2C)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
39921,CO-ADD:0329237,4.05,N(Cc1ccccc1)(C(=O)C(C23)C(c4cc(OC)ccc4O)NC2(CC(C)C)C(O)=O)C3=O,0.0
39922,CO-ADD:0327582,4.05,c1(C#N)c(COC)cc(nc1SCC[N+](C)(C)CC(c2ccccc2)=O)C.[Br-],0.0
39923,CO-ADD:0140037,4.05,O=[N+](C1=CC=C(C2=CC=CC3=C2NC4=C3C=CC=C4)C=C1)[O-],0.0
39924,CO-ADD:0319610,4.05,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/Nc3cccc(F)c3,0.0
39925,CO-ADD:0319962,4.05,c1(C(NCCOc2ccccc2)=O)cc(F)c(cc1Cl)F,0.0
39926,CO-ADD:0323652,4.05,N1(N=C(S2)SC(C)C)C2=NN=C(C(C)(C)C)C1=O,0.0
39927,CO-ADD:0321088,4.05,C1(C(OCC)=O)=C(N)CC(NC1c2ccccc2)c3ccccc3,0.0
39928,CO-ADD:0323724,4.05,n1c(SCC)nnc(C)c1O,0.0
39929,CO-ADD:0319944,4.05,c1(C2c3ccc(cc3)OCc4c(cccc4F)Cl)c([nH]nc1c5ccc(cc5)OCC)OC(N)=C2C#N,0.0
39930,CO-ADD:0319984,4.05,c(c(C)cc(c1C(C)C)OC)(NC(Cc(cc2)ccc2F)=O)c1,0.0
39931,CO-ADD:0321172,4.05,c1(C#N)c(N)c2c(nc1C(F)(Cl)F)ccc(OC)c2,0.0
39932,CO-ADD:0330015,4.05,C1(C(=O)NC(N2c3ccc(cc3)C)=O)=C2NC(=O)C1(NC(CCc4ccccc4)=O)C(F)(F)F,0.0
39933,CO-ADD:0326765,4.05,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-])n2)CC(c5ccccc5)=O,0.0
39934,CO-ADD:0328906,4.05,c12c(C(N(C)C(=O)N1C)=O)n(c(S)n2)Cc(ccc(c3OCC)OCC)c3,0.0
39935,CO-ADD:0328719,4.05,N(c1cccc(cccc2)c12)(C(=O)C(C34)C(c5ccc(cc5)OC)N(N36)CCC6)C4=O,0.0
39936,CO-ADD:0328544,4.05,c1(c2ccccc2OC)nnc(c(cc3)ccc3C(OCC)=O)o1,0.0
39937,CO-ADD:0329450,4.05,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc(cccc3[N+](=O)[O-])c3,0.0
39938,CO-ADD:0323915,4.05,n1c(N)n[nH]c1CC(=O)N(Cc2ccccc2)C3(CCCCC3)C(=O)Nc4ccccc4,0.0
39939,CO-ADD:0320047,4.05,c12c(CCNC1c3ccc(cc3)OCC)cc(c(OC)c2)OCC,0.0
39940,CO-ADD:0320801,4.05,C12(OCC(CO1)(CO3)COC34c5c(NC4=O)cccc5)c6c(NC2=O)cccc6,0.0
39941,CO-ADD:0324125,4.05,S(=O)(=O)(c1ccc(cc1)OCC)Nc(cccn2)c2,0.0
39942,CO-ADD:0321219,4.05,n1(c(cccc2[N+](=O)[O-])c2)nc(c(C(C)=O)n1)C,0.0
39943,CO-ADD:0319992,4.05,C12=C(CC(C)(C)CC1=O)Nc(ccc3c4ccc(n3)C)c4C2c5ccc(cc5Cl)Cl,0.0
39944,CO-ADD:0319391,4.05,[N+](=O)([O-])c(cc(cc1C(NCCOc2cc(C)ccc2C(C)C)=O)C(NCCOc3cc(C)ccc3C(C)C)=O)c1,0.0
39945,CO-ADD:0318960,4.05,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CCO)CCO)n2)CC(=O)c3ccc(cc3)OC,0.0
39946,CO-ADD:0326061,4.05,S1(=O)(=O)c2c(c3N1CC(=O)Nc(cc4)cc(c45)ccc(C)n5)c(ccc2)ccc3,0.0
39947,CO-ADD:0326716,4.05,n1(\N=C\c(cc2)ccc2Br)c(S)nnc1C(F)(F)F,0.0
39948,CO-ADD:0326652,4.05,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc4ccc(cc4F)F)n2,0.0
39949,CO-ADD:0327635,4.05,c1(NC(CSc2nnnn2c3ccc(cc3)OC)=O)sc(c(C)c1C(OCC)=O)c4ccccc4,0.0
39950,CO-ADD:0327651,4.05,C1(C#N)=C(COC)C=C(N(CC(=O)Nc2ccccc2)C1=O)C,0.0
39951,CO-ADD:0329844,4.05,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCOC(CC(CC4C5)CC56)(C6)C4)c7ccccc7,0.0
39952,CO-ADD:0326508,4.05,C(C#N)(C(c1ccc(cc1)F)C2=C(N3c4ccc(cc4C)Br)CC(C)(C)CC2=O)=C3N,0.0
39953,CO-ADD:0329179,4.05,N#CCc(cc1)ccc1NC(COc2ccc(cc2F)F)=O,0.0
39954,CO-ADD:0323440,4.05,C(=C/c(cc1OC)cc(c1OC)Cl)(/C(=O)NN2c3cccc(Cl)c3)\C2=O,0.0
39955,CO-ADD:0320639,4.05,C12(C)N(CC(=O)N1CCCc3ccccc3)c4c(cccc4)C2(C)C,0.0
39956,CO-ADD:0319752,4.05,c12c([nH]nc1c3ccc(cc3)F)OC(N)=C(C#N)C2c4c[nH]nc4c5ccc(cc5)F,0.0
39957,CO-ADD:0319704,4.05,C1(C2c3ccc(cc3)C)=C(CC(c(ccc(c4Cl)Cl)c4)CC1=O)Nc(c5N2C(CCCCC)=O)cccc5,0.0
39958,CO-ADD:0324107,4.04,c1(nonc1N)\C(\N)=N\OCc(cccc2C(F)(F)F)c2,0.0
39959,CO-ADD:0320860,4.04,C(=N\c(cc1)ccc1C(OC)=O)(/SC(C(=O)Nc(cc2)ccc2OC(Cl)(F)F)CC3=O)\N3C,0.0
39960,CO-ADD:0323848,4.04,S(=O)(=O)(NC(CC)C12CC3CC(CC(C3)C1)C2)c4c(Cl)ccc(c4)[N+](=O)[O-],0.0
39961,CO-ADD:0320452,4.04,c1(nn(c2n1)c(C)cc(C)n2)S(=O)(=O)N(CCCC3C(OCC)=O)C3,0.0
39962,CO-ADD:0320469,4.04,C(=O)(Nc(cc1)ccc1OCCCC)Nc2c(Cl)cc(c(F)c2)F,0.0
39963,CO-ADD:0320422,4.04,c1(N(CC2)CCO2)nc(Nc(cc3)ccc3OC(F)(F)Cl)nc(NC(C)(C)C)n1,0.0
39964,CO-ADD:0320399,4.04,C1(Nc(cc(Sc2ccccc2)cc3[N+](=O)[O-])c3)OC(CO)C(C(O)C1O)O,0.0
39965,CO-ADD:0329619,4.04,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3ccc(cc3)OCC,0.0
39966,CO-ADD:0328377,4.04,n1(O)c(C(C)=O)c(nc1c(ccc(c2[N+](=O)[O-])Cl)c2)C,0.0
39967,CO-ADD:0328961,4.04,n1(c(c2ccccc2)nn3)c3c4c(cc(c(OCc5ccccc5)c4)OC)CC1(C)C,0.0
39968,CO-ADD:0328394,4.04,C1(=S)N(Nc2c(Cl)cc(cn2)Cl)C(C(=O)N1c3ccc(cc3)OC)CC(=O)Nc(cc4)ccc4OCCC,0.0
39969,CO-ADD:0326044,4.04,c1(c2C)c(cc3c2occ3c4ccc(cc4)I)C(=C(CC)C(=O)O1)C,0.0
39970,CO-ADD:0326358,4.04,N12CCC(CC1Cc3ccccc3O)CC2.Cl,0.0
39971,CO-ADD:0325934,4.04,C1(=C(O)C=C(OC1=O)C)SC(F)(F)C(C(OC)=O)C(F)(F)F,0.0
39972,CO-ADD:0327387,4.04,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3ccc(cc3OC)OC,0.0
39973,CO-ADD:0327555,4.04,c(S(NCCC(C)C)(=O)=O)(nn(c12)c(C)c(c(C)n1)C)n2,0.0
39974,CO-ADD:0328636,4.04,c(cc1NS(=O)(=O)c2cccc(c2n3)ns3)ccc1C(O)=O,0.0
39975,CO-ADD:0328557,4.04,C1(C(F)(F)F)(C(F)(F)F)NC(C(Cl)C12)C(C2)OCCCl,0.0
39976,CO-ADD:0324433,4.04,c12c(n(c(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n1)CC=C)C(N(C)C(=O)N2C)=O,0.0
39977,CO-ADD:0321423,4.04,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/NCCSc(cc3)ccc3C,0.0
39978,CO-ADD:0320807,4.04,[N+](=O)([O-])c(cc(Oc(cc1)ccc1F)cc2NC3OCC(C(O)C3O)O)c2,0.0
39979,CO-ADD:0324178,4.04,C(C(OCC)=O)(C1c(cccn2)c2)=C(c3ccccc3)NC(SCC)=C1C#N,0.0
39980,CO-ADD:0320438,4.04,C1(C#N)(C(c2ccc(cc2)F)O3)C(=N)OC3(C(C)C1(C#N)C#N)C,0.0
39981,CO-ADD:0320217,4.04,C1(C2c3ccc(cc3)OCCC)=C(CCCC1=O)Nc(ccc4c5ccc(n4)C)c25,0.0
39982,CO-ADD:0320017,4.04,[N+](=O)([O-])c(cccc1C(=O)c2ccc(c(Cl)c2)Cl)c1,0.0
39983,CO-ADD:0329435,4.04,C1(C(NCCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)=O)=Cc4c(OC1=O)ccc(OC)c4,0.0
39984,CO-ADD:0329667,4.04,S(=O)(=O)(c1ccc(cc1)OCC)Oc(cc2)ccc2Oc3c(Cl)cc(cn3)Cl,0.0
39985,CO-ADD:0329612,4.04,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3c(C)cc(c(C)c3)OC,0.0
39986,CO-ADD:0137659,4.04,N1(CCc2ccccc2)C(C)(O)C(OC1=O)(C)CCC=C(C)/C,0.0
39987,CO-ADD:0137828,4.04,O=C(N1CCOCC1)C2=NOC(CC3=CC4=C(C(OC)=C3OC)OCO4)C2,0.0
39988,CO-ADD:0149285,4.04,c(c(cc1)ccc1O)(nc2c(cc3OC)c(OC)c4c3OCO4)on2,0.0
39989,CO-ADD:0137177,4.04,Clc1ccc(O)c(C(C(=C(O)[C@](O)(C(C(C(N)=O)=C(O)[C@]2(N(C)C)[H])=O)[C@]2(C3)[H])[C@]3([C@@]4(O)C)[H])=O)c14.Cl,0.0
39990,CO-ADD:0137201,4.04,N([H])(C1CCCCC1)C2CCCCC2.CC3(OC3CC=C(/C)C)C4C(C(CCC45OC5)OC(=O)C=CC=CC=CC=CC(O[H])=O)OC,0.0
39991,CO-ADD:0137168,4.04,Cc(c1c(c(c(OC1=O)c(c(OC(OC2C)C(OC(OC3C)C(O[H])C(OC)C3O[H])C(O[H])C2O[H])cc4)c5c4)c(C(O6)=O)c5O[H])c6c7)c7,0.0
39992,CO-ADD:0136035,4.04,C1C2C(C(C(=NNC(=O)N)C3)CC23)C=C1,0.0
39993,CO-ADD:0135772,4.04,N1=CC(=CN([H])C2=S)N2C=C1,0.0
39994,CO-ADD:0136302,4.04,Clc(cc(N)c1C)c(NC(=O)c(cccc2)c2)c1,0.0
39995,CO-ADD:0137194,4.04,N12C(Cc3c(c(OC)c(OC)cc3)C1)c(c(CC2)cc(c4O5)OC5)c4,0.0
39996,CO-ADD:0136940,4.04,Clc(ccc(C=Cc(nc(c(c1ccc(cc1)Cl)c2Cl)Cl)n2)c3)c3,0.0
39997,CO-ADD:0135964,4.04,Clc1c(cc(c(ccc(N)c2)c2C3)c3c1)Cl,0.0
39998,CO-ADD:0136037,4.04,Clc1cccc(c1C=NNC(=N)N)Cl,0.0
39999,CO-ADD:0137677,4.04,C1(C)(C(C)(CC)OC2=O)N2CCc(c([nH]3)C)c(c3ccc4)c14,0.0
40000,CO-ADD:0137679,4.04,S(=O)(=O)(c1cccc(c1)OC(F)(F)F)Nc2cccc3c2[nH]cn3,0.0
40001,CO-ADD:0149084,4.04,c1(C(=O)c2ccc(OC)c(OC)c2)n3c(nc1N)CCC3,0.0
40002,CO-ADD:0149098,4.04,c1(c2c(C(=O)C(Nc3cc(C)on3)=O)c[nH]1)cccc2,0.0
40003,CO-ADD:0149114,4.04,c(c1)c([nH]2)c(c(C(=O)C(=O)Nc(cn3)ccc3)c2)cc1F,0.0
40004,CO-ADD:0137229,4.04,O=C(N([C@](O)(C[C@]1([C@@H](C)[C@@H]([C@]2(C)[C@H](CC(N3C)=O)OC(=O)[C@@](C)([H])N(C)C(C)=O)O2)[H])[C@H](OC)C=CC=C(/C)Cc4cc3c(c(OC)c4)Cl)[H])O1,0.0
40005,CO-ADD:0137253,4.03,C1(=C)C(C)C2C(C(OC(C)=O)C=CC(C)(O)CC3C)(C(NC2Cc4ccccc4)=O)C(C=CC3)C1O,0.0
40006,CO-ADD:0136435,4.03,o1c(cc(OC)c(OC)c2)c2c(C(O3)=O)c1C=C3C,0.0
40007,CO-ADD:0135715,4.03,N1(CCCCC#N)CCCC1,0.0
40009,CO-ADD:0135676,4.03,n1([H])c2c(ccc(cc(O)cc3)c23)nc1,0.0
40010,CO-ADD:0137278,4.03,CC(CCCCN1C(=O)N(C)c(ncn2C)c2C1=O)=O,0.0
40011,CO-ADD:0136728,4.03,O=C(C1)N(CC(O)=O)c(ccc(c2)Cl)c2C(c3ccccn3)=N1,0.0
40012,CO-ADD:0137144,4.03,N1(C)C(N(C(c(cccc2)c2)c(ccc3)cc3)C(C(SCc4ccccc4)=N1)=O)=O,0.0
40013,CO-ADD:0137682,4.03,C1(c2c(CCN1C(C)=O)cc(OC)c(OC)c2)C3=C(CCCC3=O)O,0.0
40014,CO-ADD:0137655,4.03,c1(C(=O)NN=Cc(ccc(c2OC)OCc(cc3)ccc3Cl)c2)nonc1N,0.0
40015,CO-ADD:0149475,4.03,c1(N)c(c(cc2OC)cc(OC)c2OC)n(c(ccc(OC)c3)c3)nn1,0.0
40017,CO-ADD:0148994,4.03,c1(C(F)(F)F)nc(c2[nH]1)cccc2NC(=O)C(F)(F)F,0.0
40018,CO-ADD:0149074,4.03,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)cccc4Cl)c2)cc1,0.0
40019,CO-ADD:0135705,4.03,n1nc(N)oc1c(cc(OC)cc2)c2,0.0
40020,CO-ADD:0135721,4.03,O=C1C=C(CCCCC)N([H])C(=S)N1[H],0.0
40021,CO-ADD:0135692,4.03,[H]N1CCC(C(N)=O)(NC)CC1,0.0
40022,CO-ADD:0137109,4.03,c1cc(nc([nH]2)c3cccc(NC(c4ccc(C(Nc(cccc5c([nH]6)nc(cc7)c6cc7)c5)=O)cc4)=O)c3)c2cc1,0.0
40023,CO-ADD:0135809,4.03,ClN=C(C=C1)/C(/C=C1)=NCl,0.0
40024,CO-ADD:0135905,4.03,c1c([N+](=O)[O-])c(C)ccc1S(N(C)C)(=O)=O,0.0
40025,CO-ADD:0148749,4.03,c12c(C(CC(=O)N1)c(cc(OC)c(c34)OCO3)c4)snc2c5cccc(F)c5,0.0
40026,CO-ADD:0149104,4.03,C(c(c1)ccnc1)Nc2c(c3oc(Nc4cc(OCCO5)c5cc4)nn3)nsc2,0.0
40027,CO-ADD:0135729,4.03,n1c(N)nc(N2CCOCC2)nc1,0.0
40028,CO-ADD:0135634,4.03,NC(C(SCC=C)(CC)CC)=O,0.0
40029,CO-ADD:0136686,4.03,[H][C@@]1([C@@](CC=C(C[C@@H](O)CC2)[C@@]12C)([C@](C3)([C@@]4(C)c5c3c[nH]n5)[H])[H])CC4,0.0
40030,CO-ADD:0136608,4.03,c1(C(O)=O)cc(cc(N2C(C=CC2=O)=O)c1)N(C(=O)C=C3)C3=O,0.0
40031,CO-ADD:0136387,4.03,O=C1C=CC2=C(C(CC3)(c4c5cccc4)C(CC2C6=O)N36)N15,0.0
40032,CO-ADD:0136427,4.03,N1=NC(=N/N=C/c(cccc2)c2)N([H])N1Cc3ccccc3,0.0
40033,CO-ADD:0135961,4.03,c1(N)ccc(C=Cc2cc(cccn3)c3cc2)cc1,0.0
40034,CO-ADD:0135778,4.03,n1c2c(c(C=O)cn2C)ncc1,0.0
40035,CO-ADD:0137624,4.03,c(C(c1ccccc1)=O)(c2N)sc3c2cc(c(CCN4C)n3)C4,0.0
40036,CO-ADD:0149385,4.03,C(c(c1N2)cc3c(OCCO3)c1)(c(cc(OCO4)c4c5OC)c5)C(=C2C6)C(O6)=O,0.0
40037,CO-ADD:0149413,4.03,c(C1C(C#N)=C(N)Oc(cc2OC)c1cc2)(c(OC)c3)ccc3OC,0.0
40038,CO-ADD:0149112,4.03,N([C@H](c1ccc(F)cc1)[C@@H](N)c2ccc(F)cc2)C(=O)c3ccc(cc3)F,0.0
40039,CO-ADD:0149144,4.03,c1(sc2)c(c2)NC(=O)CC1c(cc3OC)cc(c3OC)OC,0.0
40040,CO-ADD:0149168,4.03,c(N)(c(NC(=O)C(=O)N1)c1c2N)c([nH]cn3)c23.Cl,0.0
40041,CO-ADD:0136399,4.03,C(=NO)(/c1ccccc1)c(c(ccc2)c(c2CC3)c34)cc4,0.0
40042,CO-ADD:0136415,4.03,n1cnc(N)c(c1N)C(=C(C)/C)c(ccc(c2)Cl)c2,0.0
40043,CO-ADD:0136631,4.03,N1(c(ccn2)cc2)C(c(cccc3)c3C1(O)c(ccc4)cc4)=O,0.0
40044,CO-ADD:0135782,4.03,C1C(CN1C(C)(C)C)OC(N)=O,0.0
40045,CO-ADD:0136555,4.03,c1(Oc2ccccc2)ccc(C=CC(C(C)(C)C)=O)cc1,0.0
40046,CO-ADD:0137095,4.03,[C@H]1(C([H])=C([C@](CCCCC)(O)[H])[H])[C@H](O)C[C@H](O)[C@@H]1CC(=C(/CCCC(O)=O)[H])[H].NC(CO)(CO)CO,0.0
40047,CO-ADD:0136642,4.03,O=C(N(C)c(c1C2=O)nc(CNc(ccc(C(O)=O)c3)c3)n1[H])N2C,0.0
40048,CO-ADD:0149713,4.03,NC1=NC2=C(C(NC(C)=O)=NN2)C(C3=CC=CC=C3)=C1C#N,0.0
40049,CO-ADD:0135595,4.03,O1CCC(=C/c(ccc(C)c2)c2)C1=O,0.0
40051,CO-ADD:0137704,4.03,c1(cc(c2)c(n3)ccc2C(C)=O)c3c4c(cccc4)OC1=O,0.0
40052,CO-ADD:0149421,4.03,c(C1c(c2N)c(nc(N)c2C#N)Oc(cc3O)c1cc3)(cc4OC)c(OC)cc4,0.0
40053,CO-ADD:0148913,4.03,c1(nc(c2n1CC(=O)Nc3ccc(cc3F)F)cccc2)c4nonc4N,0.0
40054,CO-ADD:0148860,4.03,c1(C(=O)c2cc(OC)ccc2OC)oc(c3c1N)cccc3,0.0
40055,CO-ADD:0148796,4.03,c1(ncn2c3ccc(cc3)F)c2C(CC(=O)N1)c(ccc(c45)OCO4)c5,0.0
40056,CO-ADD:0135878,4.03,N1(c2ccc(C(O)=O)c(O)c2)CCCCC1,0.0
40057,CO-ADD:0135886,4.02,Clc(cc1)cc(NC(NC(C)C)=O)c1,0.0
40058,CO-ADD:0137063,4.02,FC(F)(F)c1nc(NNc2nc(C(C)C)cc(C(F)(F)F)n2)nc(C(C)C)c1,0.0
40059,CO-ADD:0135575,4.02,[H]n1c(C(CC)CC)ncc1,0.0
40060,CO-ADD:0135591,4.02,C1(N([H])C(=O)C(NC(N)=O)N1[H])=O,0.0
40061,CO-ADD:0135671,4.02,c1(OCC(O)=O)ccccc1CC=C,0.0
40062,CO-ADD:0149690,4.02,Br/C=C(C1)/N2C(C(C#N)=CC(C#N)=C2N1C)=O,0.0
40063,CO-ADD:0149437,4.02,c1c(OC)c(OCCO2)c2cc1C(Nc(cc3c(OCO3)c4)c4)=O,0.0
40064,CO-ADD:0149240,4.02,s1cc(C(CC(=O)N2)c(snc3c4ccc(cc4)F)c23)cc1,0.0
40065,CO-ADD:0137879,4.02,COC1=CC(C2C(C#N)=C(N)OC3=NNC(C)=C23)=C(OC)C4=C1OCO4,0.0
40067,CO-ADD:0149382,4.02,c(c(NC1=CC(=O)OC1)c2)c(OC)cc2,0.0
40068,CO-ADD:0149069,4.02,c(cc(c1c2)n(Cc3ccncc3)c(c(c4NC(=O)C)non4)n1)c2,0.0
40069,CO-ADD:0135918,4.02,n1c([N+](=O)[O-])c(C=C/c(cccc2)c2)n([H])c1,0.0
40070,CO-ADD:0135926,4.02,C1C(CO)(CO)CC12CC(CO)(CO)C2,0.0
40071,CO-ADD:0135839,4.02,N(=Nc1ccccn1)c(ccc(N(C)C)c2)c2,0.0
40072,CO-ADD:0135887,4.02,O=C(NC(C1(C)CCCCCCC)=O)N1[H],0.0
40073,CO-ADD:0136723,4.02,c1ccc(c(NC(CO)CC)nc(ccc2Cl)c3c2)c3c1,0.0
40074,CO-ADD:0135687,4.02,N12C(C(C)=CC=C1)=NN([H])C2=S,0.0
40075,CO-ADD:0135948,4.02,Clc(nc(c1c2Cl)N([H])C(=O)N1[H])n2,0.0
40076,CO-ADD:0136966,4.02,c1ccc(N(CC)C(=CC(=C(Cl)C(=O)c(ccc2)c3c2)C3=C4)C4=N5)c5c1,0.0
40077,CO-ADD:0136775,4.02,c1ccc(Cc2c(ncnc2NCc3ccccc3)N(C)C4=O)c4c1,0.0
40078,CO-ADD:0149694,4.02,C=C(C1)N2C(C(C#N)=C(C3=CC=CC=C3)C(C#N)=C2N1C)=N,0.0
40079,CO-ADD:0149701,4.02,ClC1=CN=C(C=C1)NC(OC(C)(C)C)=O,0.0
40080,CO-ADD:0149202,4.02,C(CC(O1)Cc(cc2OC)cc(c23)OCO3)(C(O)=O)=N1,0.0
40081,CO-ADD:0148997,4.02,n1c(c2ccc(cc2)OC)nnn1CC(=O)Nc3ccccc3C(OC)=O,0.0
40082,CO-ADD:0149016,4.02,c1(s2)c(c(N)c2C(c(cc3OC)ccc3OC)=O)cc4N5CCC(c4n1)CC5,0.0
40083,CO-ADD:0136875,4.02,ClC1=C(C(=C(/C(NCCN(CC)CC)=O)Cl)C(=C1Cl)Cl)Cl,0.0
40084,CO-ADD:0136788,4.02,O1COc(cc(c2oc(Nc3ccc(Cl)cc3)nn2)cc4)c14,0.0
40085,CO-ADD:0137129,4.02,O1c(c2c(c([N+](=O)[O-])cc(c(OC)ccc3)c23)c(C(O)=O)c4)c4OC1,0.0
40086,CO-ADD:0135657,4.02,C(NC(NC(C)(C)C)=S)(C)(C)C,0.0
40087,CO-ADD:0153072,4.02,CN1C=C(NC(C2=C(C(F)(F)F)N=C(N)S2)=O)C=C1C(NC3=CN(C)C(C(OCC)=O)=C3)=O,0.0
40088,CO-ADD:0153073,4.02,CN1C=C(NC(C2=C(CCC(C)C)SC(N)=N2)=O)C=C1C(NC3=CN(C)C(C(NCCN4CCOCC4)=O)=C3)=O.OC(C(F)(F)F)=O,0.0
40089,CO-ADD:0149703,4.02,O=C(NC1=NC=CC=C1)OC(C)(C)C,0.0
40091,CO-ADD:0140018,4.02,O=[N+](C1=CC(Cl)=C(C2=CC=CC=C2NC3=CC=CC=C3)C(Cl)=C1)[O-],0.0
40092,CO-ADD:0149262,4.02,O=C(c(c(c(c(n1)c2)cc(c2O3)OC3)c(ccc4)cc4)c1C5)O5,0.0
40093,CO-ADD:0149502,4.02,c(C(=O)C1OC1c(c2)c(OC)c(OC)c(OCO3)c23)(c4Br)cc(OC)c(OC)c4,0.0
40094,CO-ADD:0149032,4.02,c1(c2c([nH]c1)cccc2)C(=O)C(=O)Nc(cc3)ccc3F,0.0
40095,CO-ADD:0136163,4.02,O=C(N([H])C(Cc(ccc1)cc1)(C2=O)c(c3)cccn3)N2[H],0.0
40096,CO-ADD:0136299,4.02,O=C1c2c(CO1)c(NC=O)c(OC)c(OC)c2[N+](=O)[O-],0.0
40097,CO-ADD:0136227,4.02,Clc1c(N)c(S(N)(=O)=O)cc(S(N)(=O)=O)c1,0.0
40098,CO-ADD:0135665,4.02,Clc1c(N)c(NCCO)ncn1,0.0
40099,CO-ADD:0153080,4.02,N=C(C1=CC(OC)=CC=C1)NC2=CN(C)C(C(NC3=CN(C)C(C(NC4=CN(CCCN(C)C)C=N4)=O)=C3)=O)=C2.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
40100,CO-ADD:0136220,4.02,n1([H])c(C(O)=O)c(OC(=O)CC)c(C)c1C(OCC)=O,0.0
40101,CO-ADD:0136364,4.02,O1C(C=C(C)c(ccc2OS(=O)(=O)C)c1c2)=O,0.0
40102,CO-ADD:0149786,4.02,NC1=C2C(CCN(CC#C)C2)=NC(C1=C3)=NC(OC)=C3C#N,0.0
40103,CO-ADD:0136133,4.02,n1c(C(N)=O)c(N=NN(CCCl)C2=O)n2c1,0.0
40104,CO-ADD:0149193,4.01,c1(c(C)nc(nccc2)n12)c3csc(N)n3,0.0
40105,CO-ADD:0149383,4.01,c(Cc(cccc1)c1O2)(c3)c(c([nH]3)c4)c2cc4[N+](=O)[O-],0.0
40106,CO-ADD:0149525,4.01,c(c1cc(OC)c(OC)c(OC)c1)(con2)c2c3ccc(OC)cc3,0.0
40107,CO-ADD:0149073,4.01,c1(noc(Cc(ccc(c2OC)OC)c2)n1)c3nonc3N,0.0
40108,CO-ADD:0136259,4.01,Clc1ccc(c(C(O)=O)cc2c(cccc3)c3)c(c1C)n2,0.0
40109,CO-ADD:0136197,4.01,c12c(nc(cc(C)c(C)c3)c3n1)c(OC)ccc2,0.0
40110,CO-ADD:0149755,4.01,NC(OC1=C2C(C=CC=C3)=C3C=C1)=C(C2C4=C(C=CC=C4)OC)C#N,0.0
40111,CO-ADD:0136237,4.01,O=C(N(C)c(c1C2=O)nc(N3CCCCC3)n1C)N2C,0.0
40112,CO-ADD:0153048,4.01,NC1=C(CNC2=CC=C(Cl)C=C2)C=NC(C)=N1,0.0
40113,CO-ADD:0148998,4.01,c1(nc(c2n1Cc(nc(N)nc3N(C)C)n3)cccc2)c4nonc4N,0.0
40114,CO-ADD:0148990,4.01,c(CC(=O)Nc(ccc(c12)OCO1)c2)(c3c([nH]4)cccc3)c4,0.0
40115,CO-ADD:0149043,4.01,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)ccc(OC)c4)c2)cc1,0.0
40116,CO-ADD:0136943,4.01,Clc1c(cc(c(c1)S2(=O)=O)N([H])C(CC(OC)=O)(C(OC)=O)N2O)Cl,0.0
40117,CO-ADD:0136903,4.01,C1(C(NCCC)=O)(NC(=O)c(c(C(=O)NCCC)ccc2)c2)CCCC1,0.0
40118,CO-ADD:0136167,4.01,c1cc(O)c(N(C(C)=O)[H])cc1[As](O)(O)=O,0.0
40119,CO-ADD:0135589,4.01,[H]N1C(N)=Nc(c(cn2)C1=O)n2C,0.0
40120,CO-ADD:0153094,4.01,CN1C=C(NC(C2=CC=C(/C=C/C3=C(ON4N=NC5=C4C=CC=C5)N=C6C(C=CC=C6)=C3)C=C2)=O)C=C1C(NC7=CN(C)C(C(NCCN8CCOCC8)=O)=C7)=O.OC(C(F)(F)F)=O,0.0
40121,CO-ADD:0137086,4.01,O=C1C(O)=C(C)C(=CC=C([C@@]2(C)CC3)[C@@](C)(CC[C@](C)([C@]4(C5)[H])CC[C@]5(C(O)=O)C)[C@@]34C)C2=C1,0.0
40122,CO-ADD:0135606,4.01,c1(C(O)=O)ccccc1NCC,0.0
40124,CO-ADD:0149067,4.01,c12c(ccc(Br)c1)noc2c3ccc(OC)c(OC)c3,0.0
40125,CO-ADD:0149376,4.01,c(OC)(c(OC)c(OC)cc1\C(\C#N)=C\c(cc(OC)c(OC)c2OC)c2)c1,0.0
40126,CO-ADD:0136175,4.01,Brc(cc(C(N)=O)c1O)cc1C2CCCCC2,0.0
40127,CO-ADD:0136111,4.01,c1cn([H])c(CC(NC)=O)c1C(OCC)=O,0.0
40128,CO-ADD:0136151,4.01,n1(CC(O)CN2[C@@H](C)[C@@H]2C)ccnc1[N+](=O)[O-],0.0
40129,CO-ADD:0149647,4.01,CC1=C(C(C2=CC=C(C=C2)[N+]([O-])=O)C3=C(N=C(CCCC4)C4=C3N)N1)C(OCC)=O.Cl,0.0
40130,CO-ADD:0136885,4.01,Clc(cc1)c(c(c1)Sc2c3ccc(c2c4)ccc4)N3CCCN(C)C,0.0
40131,CO-ADD:0135784,4.01,O(C(=O)N)c1cccc(c1)OC(N)=O,0.0
40132,CO-ADD:0153068,4.01,CN1C=C(NC(C2=C(C(F)(F)F)N=C(N)S2)=O)C=C1C(NC3=CN(C)C(C(NCCN4CCOCC4)=O)=C3)=O.OC(C(F)(F)F)=O,0.0
40133,CO-ADD:0149140,4.01,c1(c(NC(=O)CC1c(c2)cccc2OC)cc3)s3,0.0
40134,CO-ADD:0149172,4.01,c(OC)(c1OC)c(CC2CC(c(cc3)ccc3F)=NO2)c(C=O)c(OCO4)c14,0.0
40135,CO-ADD:0148729,4.01,C(c(ccc(OC)c1)c1)(O2)=N\C(=C/c(cc(OC)c(OCO3)c34)c4OC)\C2=O,0.0
40136,CO-ADD:0136104,4.01,c1cc(O)cc(O)c1C(C(CCCCC)=O)=O,0.0
40137,CO-ADD:0136200,4.01,Clc(nc(c(cn1)c2Nc3ccccc3Cl)n1C)n2,0.0
40138,CO-ADD:0136344,4.01,O=C1N(C(Cc(ccc2)cc2)(SCC3)N3C(=O)N1[H])[H],0.0
40139,CO-ADD:0136280,4.01,C(#CC(O)(c(cccc1)c1)c(cccc2)c2)c(ccc3)cc3,0.0
40140,CO-ADD:0136000,4.01,N(=Nc(cccc1)c1)c(c(C(O)=O)cc(O)c2)c2,0.0
40141,CO-ADD:0136032,4.01,c1cc(C=C(/C#N)C#N)ccc1C=C(/C#N)C#N,0.0
40142,CO-ADD:0149773,4.01,NC(N=C(C(C#N)=C1)NCC#C)=C1C#N,0.0
40143,CO-ADD:0135777,4.01,N1(C(CCCC)=O)CC(C)CCC1,0.0
40144,CO-ADD:0136657,4.01,O=C(N(C)c(c1C2=O)nc(SCCC)n1C)N2C,0.0
40147,CO-ADD:0148855,4.01,C(=C\c(cc1)ccc1OC)/C(=O)c(ccc(c23)OCCO2)c3,0.0
40148,CO-ADD:0148951,4.01,c12c(cc(CCC3)c3c1)NC(CC2c4cccc(OC)c4OC)=O,0.0
40149,CO-ADD:0136161,4.0,c1ccccc1C=C(/C=C(C2=O)/NC(=S)N2)C,0.0
40150,CO-ADD:0136369,4.0,n1cnc(c(cn2)c1Sc3ccc(cc3)Cl)n2C,0.0
40151,CO-ADD:0136378,4.0,C1(N([H])C(CC(=O)OCC)(C)SC1(C)C)C(O)=O,0.0
40152,CO-ADD:0149832,4.0,NC1=C(C=C(C(N2CCC(CC3=CC=CC=C3)CC2)=N1)C#N)C#N,0.0
40153,CO-ADD:0149662,4.0,C#CCNC(C(C#N)=C1C2=CC=CC=C2)=NC(NCCC3CCN(CC4=CC=CC=C4)CC3)=C1C#N,0.0
40154,CO-ADD:0136386,4.0,N12C(c3c(CC1)cc(OC)cc3)CCN4C2CCC4=O,0.0
40156,CO-ADD:0148837,4.0,C1(N2C)C(=NC2=O)N(c(c3)ccc(OC)c3)C(=O)CC1c(c4)cc(OC)c(OC)c4OC,0.0
40157,CO-ADD:0136058,4.0,n1ccccc1NC(=S)Nc(c(C)ccc2)c2,0.0
40158,CO-ADD:0136146,4.0,O([H])C12C3C(C=C1)C(OC2=O)OC(C(=O)N([H])[H])=C3,0.0
40159,CO-ADD:0136422,4.0,c1c(nc2CSc3ccc(N)cc3)c(n2CCC4)c4cc1,0.0
40160,CO-ADD:0136530,4.0,c1(CC)noc(C=C(c2ccccc2)N(C)C3=O)c13,0.0
40161,CO-ADD:0136611,4.0,c1(C)ccc(C(C)C)cc1NC(Nc(ccc([N+](=O)[O-])c2)c2)=O,0.0
40162,CO-ADD:0136516,4.0,O(C)c1c(cc(C(=O)N2c(c(CC2)ccc3)c34)c4c1)OC,0.0
40163,CO-ADD:0136513,4.0,O(C)c(nc(Sc1c(nc2c(cccc2)n1)N3[H])c3c4)c4,0.0
40164,CO-ADD:0140035,4.0,O=[N+](C1=CC=C(C2=CC=CC=C2N(C)C3=CC=CC=C3)C(C)=C1)[O-],0.0
40165,CO-ADD:0148970,4.0,c12n(cc(Cc3cccc(Cl)c3Cl)s1)cc(c4ccccc4)n2,0.0
40166,CO-ADD:0149423,4.0,c(C1c(c2N)c(nc(N)c2C#N)Oc(cc3O)c1cc3)(cc4OC)cc(OC)c4OC,0.0
40167,CO-ADD:0136518,4.0,c1n2c(nc(n3c(C)nc([N+](=O)[O-])c3)c2[N+](=O)[O-])ccc1,0.0
40168,CO-ADD:0137131,4.0,c1ccc2c(N(C(=O)C2(c3ccc(O)cc3)c4ccc(O)cc4)[H])c1,0.0
40169,CO-ADD:0135659,4.0,C=CCNC(NCC=C)=S,0.0
40171,CO-ADD:0136985,4.0,c1ccc(n2c(ccc2)c(SCc3cc(cc(COCO4)c34)Cl)n5)c5c1,0.0
40172,CO-ADD:0136786,4.0,N(CC)(CC)C(OC1=CC(C)=NC(=S)N1CCCC)=S,0.0
40173,CO-ADD:0136722,4.0,n1ccc(Nc(ccc2NC(=O)c(ccc(N)c3)c3)cc2)cc1,0.0
40174,CO-ADD:0147059,4.0,F[B-](F)(F)F.CC#[N+][Re]1(C#[O+])(C#[O+])(C#[O+])([N+]2=c(c([N+]1=CC=C3)c3c4c5nc6ccccc6n4)c5=CC=C2),0.0
40175,CO-ADD:0245488,4.0,c1(C#N)c2c(sc1\N=C\c(cc3)cc(c3OC(C)=O)OC)CCCC2,0.0
40176,CO-ADD:0240506,4.0,N(=C\c(ccc1c2ccc(cc2)Br)o1)/N(c3ccccc3)c4ccccc4,0.0
40177,CO-ADD:0242870,4.0,N1(c2ccc(cc2)F)C(=O)C(CC1=O)SCC(=O)Nc3cccc(F)c3,0.0
40178,CO-ADD:0242866,4.0,N1(c2cccc(OC)c2)C(=O)C(CC1=O)S\C(\Nc3ccccc3)=N\c4ccccc4.C(=O)O,0.0
40179,CO-ADD:0245052,4.0,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc(cc2)c(Cl)cc2[N+](=O)[O-],0.0
40180,CO-ADD:0240308,4.0,C1(=Cc2c(OC1=O)cccc2)C(=O)N3CCSC3c4ccc(c(Br)c4)OC,0.0
40181,CO-ADD:0245823,4.0,C(=C/c(cc1)ccc1OCc(cc2)ccc2[N+](=O)[O-])(/C3=O)\Sc(c34)cccc4,0.0
40182,CO-ADD:0245981,4.0,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-])C1=O,0.0
40183,CO-ADD:0246046,4.0,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C(/C)\c(ccc(c3Cl)Cl)c3)c4nonc4N,0.0
40184,CO-ADD:0241558,4.0,C(=O)(N\N=C\c1ccccc1Cl)c2cccc(I)c2,0.0
40185,CO-ADD:0241035,4.0,C(F)(F)(F)c(ccc(c1\N=C\c2ccccc2O)Oc3ccccc3)c1,0.0
40186,CO-ADD:0240998,4.0,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
40187,CO-ADD:0241349,4.0,N1(N=C(CC1=O)C)c2nc(NCC)nc(NCC)n2,0.0
40188,CO-ADD:0242791,4.0,N(CCN1C(=O)CN2CCCCC2)(C(=O)c3ccc(cc3)C)C1,0.0
40189,CO-ADD:0241906,4.0,c1(cc(C)nc(ccc(OC)c2)c12)Nc3cc(C)ccc3C,0.0
40190,CO-ADD:0242380,4.0,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCCOc3ccccc3)c4ccccc4,0.0
40191,CO-ADD:0244610,4.0,C1(C([H])(c2ccccc2)C3=C(C)N(N(c4ccccc4)C3=O)C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
40192,CO-ADD:0240497,3.99,C(C(OCC)=O)(=C1C)\C(=C\c2cccs2)\C(N1CC=C)=O,0.0
40193,CO-ADD:0244348,3.99,[N+](=O)([O-])c(cc1)ccc1C2CC(=O)Nc(cccc3)c3S2,0.0
40194,CO-ADD:0241911,3.99,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(=O)Nc3ccc(cc3Cl)Cl,0.0
40195,CO-ADD:0246063,3.99,c1(nnc(CC)s1)NC(=O)c2cc(c3o2)cccc3,0.0
40196,CO-ADD:0241275,3.99,N1(c2ccccc2C)C(=O)NC(\C(=C/c(c3c([nH]4)cccc3)c4)\C1=O)=O,0.0
40197,CO-ADD:0246029,3.99,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5)ccc5C(C)C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
40198,CO-ADD:0245978,3.99,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cc(I)cc(I)c4OCc5ccccc5,0.0
40199,CO-ADD:0241805,3.99,c12c(cccc1[N+](=O)[O-])C(N(CCCC(=O)Oc(ccc(c34)cccc3)c4)C2=O)=O,0.0
40200,CO-ADD:0241538,3.99,C(OCc(cc1)ccc1OC)(=O)N\N=C(/C)\CC(NCCC)=O,0.0
40201,CO-ADD:0244335,3.99,C1(=O)Oc(c(cc(c2OC(=O)NC3CCCCC3)Cl)S1)c2,0.0
40203,CO-ADD:0246023,3.99,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(Br)ccc5OCc6ccc(cc6Cl)Cl,0.0
40204,CO-ADD:0245996,3.99,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c4cc(Br)ccc4OCc5ccccc5)\C1=O,0.0
40205,CO-ADD:0241258,3.99,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c3ccccc3O)c4nonc4N,0.0
40206,CO-ADD:0241707,3.99,n1c(ccc(C#N)c1SCc2ccc(cc2Cl)Cl)c3cccs3,0.0
40207,CO-ADD:0241124,3.99,N1(CC(CC1C(=O)Nc2ccccc2)O)C(=O)Oc3ccccc3,0.0
40208,CO-ADD:0241775,3.99,C1(C#N)(C#N)[C@@H](c2cccc(Br)c2)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C(C)(C)C,0.0
40209,CO-ADD:0245544,3.99,N1(C(C(C)C)=O)N=C(CC1(O)c2cccc(OC)c2)C(F)(F)F,0.0
40210,CO-ADD:0245318,3.99,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)Nc(cc4)c(O)cc4[N+](=O)[O-],0.0
40211,CO-ADD:0242700,3.99,C1(C(C)=O)=C(C)NC(=S)NC1c2ccc(cc2)Br,0.0
40212,CO-ADD:0244575,3.99,C([N+](=O)[O-])([N+](=O)[O-])(CN(C1)[N+](=O)[O-])CN(CC1([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
40213,CO-ADD:0240555,3.99,N(c1sccn1)(C2c(cccc3[N+](=O)[O-])c3)C(=O)C(=C2C(=O)c4ccc(cc4)Cl)O,0.0
40214,CO-ADD:0245483,3.99,c1(Nc2ccccc2)nc(N\N=C\c(cc3)cc(c3OC(C)=O)OC)nc(NC)n1.Cl,0.0
40215,CO-ADD:0245367,3.99,S(=O)(=O)(Nc1c(Cl)ccc(Cl)c1)c2cccc(cccn3)c23,0.0
40216,CO-ADD:0244380,3.99,S1(=O)(=O)c2c(C(Nc(cc3)ccc3CCCC)=N1)ccc(c2)[N+](=O)[O-],0.0
40217,CO-ADD:0246205,3.99,N1(C(C)=O)C(c2ccc(cc2)OC)C(C3=N1)CCc(ccc(OC)c4)c34,0.0
40218,CO-ADD:0244371,3.99,C(=S)(c1ccc(cc1)OC(=O)c2ccc(cc2)Br)N(CC3)CCO3,0.0
40219,CO-ADD:0242057,3.99,s1c(C(C)C)nnc1NC(=O)c(cccc2NC(=O)C(F)(F)F)c2,0.0
40220,CO-ADD:0245471,3.99,c1(N(CC)CC)nc(N\N=C\c(ccc(c2OC)OCc3ccc(cc3Cl)Cl)c2)nc(Nc(ccc(c4Cl)C)c4)n1.Cl,0.0
40221,CO-ADD:0241015,3.99,N1(c(cc2)ccc2S(=O)(=O)Nc(cc3)ccc3C(OC)=O)C(=O)c4c(cccc4)C1=O,0.0
40222,CO-ADD:0241150,3.99,n1c(cccc1C(O)=O)C(O)=O,0.0
40223,CO-ADD:0241143,3.99,c1(ccccc1Cl)C(OCCN(CC2)CCN2CCOC(=O)c3ccccc3Cl)=O.Cl.Cl,0.0
40224,CO-ADD:0245777,3.99,N1(c2cccc(c2)C(=O)Nc(cc3)ccc3OC)C(=O)c(c4C1=O)ccc(c4)[N+](=O)[O-],0.0
40225,CO-ADD:0241154,3.99,C(=C/c(cc1)ccc1Br)(/C(=O)NCC(OCc2ccccc2)=O)\NC(c3ccccc3)=O,0.0
40226,CO-ADD:0244577,3.99,C1(OC(C(CO)O2)C(O)C(C2Nc(cc3)ccc3C(O)=O)O)OC(CO)C(C(O)C1O)O,0.0
40227,CO-ADD:0242268,3.99,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(cc4)ccc4N(C)C)nc(Nc(cc5)ccc5C)n1.Cl,0.0
40228,CO-ADD:0242059,3.99,c1(nonc1N)\C(\N)=N/OC(=O)CC(c2ccccc2)NC(=O)C(F)(F)F,0.0
40229,CO-ADD:0242286,3.98,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c(ccc(c4[N+](=O)[O-])Cl)c4)o3,0.0
40230,CO-ADD:0242349,3.98,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCC#C)c3cccs3,0.0
40231,CO-ADD:0246091,3.98,N1(C(=O)C(C(C(F)(F)F)=N1)\C=N\Cc2cccs2)c3sc(c4n3)cccc4,0.0
40232,CO-ADD:0246084,3.98,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4cc(Br)ccc4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
40233,CO-ADD:0241560,3.98,S(=O)(=O)(N(CC1)CCN1c(cc2)ccc2[N+](=O)[O-])c3cccc(cccn4)c34,0.0
40234,CO-ADD:0242725,3.98,C(=N\N=C(\CC1)/c2c(C1)c(ccc2C)C)(/SC=C3c4ccccc4)\N3.Br,0.0
40235,CO-ADD:0241855,3.98,c1(N(CC)CC)nc(N\N=C\c(cc2)ccc2N(CC3)CCO3)nc(Nc(ccc(c4Cl)C)c4)n1.Cl,0.0
40236,CO-ADD:0244916,3.98,C1(C2NC(=[N+]([H])CCO)N1)NC(=O)N2.[I-],0.0
40237,CO-ADD:0244228,3.98,C(C#N)(C(c(ccs1)c1)C2=C(N3c4cccc(C)c4)CCCC2=O)=C3N,0.0
40238,CO-ADD:0241705,3.98,c(C(OC=C)=O)(c(N)c(c12)ccc(c3cccs3)n1)s2,0.0
40239,CO-ADD:0241517,3.98,c1(C(NCCOc2ccccc2)=O)c(Cl)c3c(cccc3)s1,0.0
40240,CO-ADD:0245309,3.98,c1(SCC(=O)N\N=C\c2ccccc2OCCCC)sc(c3n1)cccc3,0.0
40241,CO-ADD:0245662,3.98,c(CC(NC(=O)Oc1ccccc1)C(=O)NCC(OC)=O)(c2c([nH]3)cccc2)c3,0.0
40242,CO-ADD:0246071,3.98,C(CC)(NC(=O)Oc(ccc(c12)cccc1)c2)(C(F)(F)F)C(F)(F)F,0.0
40243,CO-ADD:0240584,3.98,c(Nc(cc1)ccc1C)(nc(NC2CCCCC2)nc3NC4CCCCC4)n3,0.0
40244,CO-ADD:0242202,3.98,c1(cc(Cl)c(cc1C(O)=O)Cl)C(=O)Nc2ccccc2,0.0
40245,CO-ADD:0245361,3.98,N1(c2ccc(cc2[N+](=O)[O-])OC)C(=O)C3C(C1=O)C(C(=O)C34c5ccccc5)(c6ccccc6)C(=C4c7ccc(c8c7)OCO8)c9ccc(c%10c9)OCO%10,0.0
40246,CO-ADD:0245515,3.98,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)Cl,0.0
40247,CO-ADD:0242148,3.98,N1(CNc2ccccc2Cl)c(ccc(c3)[N+](=O)[O-])c3OC1=O,0.0
40248,CO-ADD:0245914,3.98,S(=O)(=O)(c1ccc(cc1)C)Oc2c(C(C)C)cc(cc2C(C)C)Nc3cc(C)ccc3C,0.0
40249,CO-ADD:0244375,3.98,C(=S)(c1ccc(cc1)OC(=O)c2ccc(cc2)C)N(CC3)CCO3,0.0
40250,CO-ADD:0244967,3.98,C(=O)(N\N=C\c(ccc(c1Br)OC)c1)c2ccc(cc2)OC,0.0
40251,CO-ADD:0244422,3.98,n(c(C)[nH]n1)c1CCN.Cl.Cl,0.0
40252,CO-ADD:0245695,3.98,C(C#N)(C1c2ccc(cc2)F)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
40253,CO-ADD:0244963,3.98,N1(C(=O)CCC1=O)OC(=O)c(cc2)ccc2c3ccccc3,0.0
40254,CO-ADD:0244391,3.98,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c6cccc(Cl)c6)C(C)=O,0.0
40255,CO-ADD:0240783,3.98,c1(C(NCCCC)=O)c(Cl)c2c(cccc2)s1,0.0
40256,CO-ADD:0242300,3.98,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3OC)cc(c3O)Br,0.0
40257,CO-ADD:0242942,3.98,[N+](=O)([O-])c1ccccc1NC(=O)c2ccco2,0.0
40258,CO-ADD:0245880,3.98,n1(c2ccccc2)nc(c(\C=N\NC(c3ccccc3)=O)c1N4CCCCC4)C,0.0
40259,CO-ADD:0244600,3.98,N1(c2cccc(Oc3ccccc3)c2)C(=O)c4c(cccc4)C1=O,0.0
40260,CO-ADD:0244838,3.98,CN(C(=S)N1C)C(C1N2)N3C(S\C(=C(/C4=O)\c5c(cccc5)N4C(C)C(=O)OC)\C3=O)=N2,0.0
40261,CO-ADD:0242624,3.98,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
40262,CO-ADD:0241785,3.98,C1(C#N)(C#N)[C@H](c(cc2)ccc2C(F)(F)F)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C(C)(C)C,0.0
40263,CO-ADD:0242005,3.98,S(=O)(=O)(N1CCCCC1)c2c(C)ccc(c2)C(=O)Nc3sccn3,0.0
40264,CO-ADD:0241719,3.98,C1(C#N)(C#N)[C@H](c2ccccc2Cl)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C(C)(C)C,0.0
40265,CO-ADD:0245655,3.98,N1(c2cccc(OC)c2)C(=O)CC(N3CCC(CC3)Cc4ccccc4)C1=O,0.0
40266,CO-ADD:0245350,3.98,c(N(CCC1c2ccccc2)CCC3c4ccccc4)(c1c5)c3cc5NC(C)=O,0.0
40267,CO-ADD:0245547,3.98,c1(ccc(cc1OC)\C=N\c(ccc(c2F)C)c2)OC(C)=O,0.0
40268,CO-ADD:0242282,3.97,C(=C/c(ccc(c1OC)OCc2ccc(cc2Cl)Cl)c1)(/C3=O)\Sc(c34)cccc4,0.0
40269,CO-ADD:0242480,3.97,S(=O)(=O)(N(CC)CC)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c2cc(ccc2N(CC3)CCN3C)[N+](=O)[O-],0.0
40270,CO-ADD:0244249,3.97,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\NC(=O)C(=O)N\N=C\c(cc3)ccc3OC(=O)c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4)c1,0.0
40271,CO-ADD:0241029,3.97,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(ccc(c2OC)OC)c2)n(c3c1S(CCC)(=O)=O)cccc3C,0.0
40272,CO-ADD:0245816,3.97,N1(NC(=O)c(ccc(c2C3=O)C(N3c4cccc(c4)[N+](=O)[O-])=O)c2)C(=O)c(c5C1=O)cccc5,0.0
40273,CO-ADD:0241995,3.97,N1(c2ccc(cc2)Cl)C(=O)C(C3C1=O)C(C=C4)C5(C34)CC5,0.0
40274,CO-ADD:0241697,3.97,c1(C#N)c(C)c(CC)c(nc1SCc2ccccc2C)C,0.0
40275,CO-ADD:0244245,3.97,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C(/CC)\c(cc2)ccc2c3ccccc3,0.0
40276,CO-ADD:0241753,3.97,N12C(S\C(=C/c(ccc(c3OCC)O)c3)\C1=O)=C(C(c4ccc(c(OCC)c4)O)C(C#N)=C2N)C#N,0.0
40277,CO-ADD:0244616,3.97,C(=O)(NNc(cc1)ccc1OCC)C(OCC)=O,0.0
40278,CO-ADD:0244177,3.97,N1(\N=C\c(cc(Br)c(c2)OC)c2OC)C(=O)c(c3C1=O)cccc3,0.0
40279,CO-ADD:0241418,3.97,N1(c2ccc(cc2)F)C(c3ccc(cc3)C)Nc(c4C1=O)cccc4,0.0
40280,CO-ADD:0241369,3.97,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCC(=O)N3CCCCC3,0.0
40281,CO-ADD:0244361,3.97,C1(Cc2ccccc2)(Cc3ccccc3)C(=O)OC(OC1=O)(C)C,0.0
40282,CO-ADD:0242476,3.97,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
40283,CO-ADD:0242460,3.97,c1(C#N)c2c(sc1\N=C\c3ccc(Br)s3)CC(C)CC2,0.0
40284,CO-ADD:0245371,3.97,[N+](=O)([O-])c(cc1)ccc1c2cn(cn2)CC(N)=O,0.0
40285,CO-ADD:0245384,3.97,N1(c2ccc(cc2)F)C(=O)C(C3C1=O)CCCC3,0.0
40286,CO-ADD:0244938,3.97,n(nnc1C(=O)N\N=C\c2ccco2)(c1COC)c3nonc3N,0.0
40287,CO-ADD:0244623,3.97,C(=O)(NNc1ccccc1C)C(O)(c2ccccc2)c3ccccc3,0.0
40288,CO-ADD:0245495,3.97,n(Cc1ccc(cc1Cl)Cl)(c2c(c3\C=N\NC(=O)Cn4nnc(c5ccccc5)n4)cccc2)c3,0.0
40289,CO-ADD:0245501,3.97,c1([nH]nnn1)n2c(C)cc(C)n2,0.0
40290,CO-ADD:0242844,3.97,N1(c2ccccc2)C(=O)c3c(C(c(cc4)ccc4C(C)C)=N1)cccc3,0.0
40291,CO-ADD:0242857,3.97,C(C#N)(C1c2ccc(cc2)SC)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
40292,CO-ADD:0245648,3.97,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2cccc(F)c2)n(c3c1S(CCC)(=O)=O)cccc3C,0.0
40293,CO-ADD:0246094,3.97,C(C)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc5ccccc5CC)C24,0.0
40294,CO-ADD:0245802,3.97,n1(c2ccccc2)c(SCC(=O)Nc(cccc3C(F)(F)F)c3)nnc1c4ccc(c(OC)c4)OC,0.0
40295,CO-ADD:0245671,3.97,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc(c2[N+](=O)[O-])OC)c2)c3ccccc3OC,0.0
40296,CO-ADD:0244310,3.97,C(C(OCCCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c(cccc3[N+](=O)[O-])c3,0.0
40297,CO-ADD:0244633,3.97,C(CCc1ccccc1)(=O)NNc2ccccc2,0.0
40298,CO-ADD:0245509,3.97,C(/C#N)(=C/c(cc1)ccc1OC)\C(OC)=O,0.0
40299,CO-ADD:0244533,3.97,C(=O)(c1ccc(cc1)F)Nc(cc(Oc(cc2)ccc2OCC)cc3NC(=O)c4ccc(cc4)F)c3,0.0
40300,CO-ADD:0245296,3.97,N1(c2ccccc2[N+](=O)[O-])C(=O)C(C(C1=O)C34\C=N\c5cccc(Cl)c5C)C(c(c36)cccc6)c(c47)cccc7,0.0
40301,CO-ADD:0245724,3.97,C(/C(c1ccccc1)=O)(\[n+]2ccccc2)=C(\[S-])/N([H])c3ccccc3,0.0
40302,CO-ADD:0245710,3.97,c12n(c(nn1)SCCC)ncn2\N=C\c3cccs3,0.0
40303,CO-ADD:0245675,3.97,N1(CNc(ccc(c2Cl)Cl)c2)N=C(OC1=S)c3ccc(cc3)O,0.0
40304,CO-ADD:0244266,3.97,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)N)c1,0.0
40305,CO-ADD:0241198,3.97,S(=O)(=O)(Nc1ccccc1F)c2c(C)cc(cc2C)C,0.0
40306,CO-ADD:0242207,3.97,c1(S(CCC)(=O)=O)c(C(=O)N\N=C/c(c2c([nH]3)cccc2)c3)n(c4c1S(CCC)(=O)=O)cccc4C,0.0
40307,CO-ADD:0246177,3.97,C(=C\c(cccn1)c1)(/C2=O)\C(N(CC3)CCO3)=NN2c(cc4)ccc4[N+](=O)[O-],0.0
40308,CO-ADD:0241062,3.97,N1(c2ccc(c(C)c2)C)C(=O)\C(=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3)\C(N(c5ccccc5)C1=S)=O,0.0
40309,CO-ADD:0245806,3.97,s1c(N)nnc1SCc2c(cccc2F)F,0.0
40310,CO-ADD:0242009,3.97,S(=O)(=O)(c(cccc1C(=O)N2CCCc(cccc3)c23)c1)N4CCCCC4,0.0
40311,CO-ADD:0244679,3.97,[N+](=O)([O-])c(cccc1C(=O)N\N=C(/C)\c2ccc(cc2)C)c1,0.0
40312,CO-ADD:0244906,3.97,C1(C2NC(=[N+]([H])CCN(C)C)N1)N(C)C(=O)N2C.[I-],0.0
40313,CO-ADD:0244251,3.97,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccc(cc2)OC)c3ccccc3Cl,0.0
40314,CO-ADD:0242920,3.97,C1(O)(C(C)CN(C(C)C1)C)c2ccc(cc2C)C,0.0
40315,CO-ADD:0245788,3.97,C(=C\c(ccc(c1[N+](=O)[O-])Sc2nccn2C)c1)(/C(=O)NC(N3)=S)\C3=O,0.0
40316,CO-ADD:0242184,3.97,C12[C@H]([C@H]1C(=O)c3cccs3)[C@H](O[C@@H]4C2=O)CO4,0.0
40317,CO-ADD:0245864,3.97,c(cco1)(c1)\C=N\c(cc2)ccc2Oc3cccc(Oc(cc4)ccc4\N=C\c(cco5)c5)c3,0.0
40318,CO-ADD:0246206,3.96,C1(SC)=NC(Cc(cc(OC)c(OC)c2)c12)(C)C,0.0
40319,CO-ADD:0241112,3.96,c1(nonc1N)N(Cc(cc2)ccc2Cl)N=Nc3nonc3N,0.0
40320,CO-ADD:0240525,3.96,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I)N(C)c3ccc(cc3)OC,0.0
40321,CO-ADD:0244462,3.96,C(Cl)(Cl)(Cl)C(=O)Nc(cc1)ccc1NC(C)=O,0.0
40322,CO-ADD:0244641,3.96,[N+](=O)([O-])c(ccc(c1\C=N\NC(Cc2ccccc2)=O)O)c1,0.0
40323,CO-ADD:0245692,3.96,C(NC(C)=O)(Nc1ccccc1F)(C(F)(F)F)C(F)(F)F,0.0
40324,CO-ADD:0246151,3.96,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(cc3OC)cc(c3O)Br)\N2c4ccccc4,0.0
40325,CO-ADD:0241217,3.96,N1(C(C)(O)CC(C(F)(F)F)=N1)C(=O)c2ccccc2O,0.0
40326,CO-ADD:0245943,3.96,C1(=O)Oc(c2S1)ccc(OCC(=O)OC(C)(C)C)c2,0.0
40327,CO-ADD:0241829,3.96,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])n1,0.0
40328,CO-ADD:0241690,3.96,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3cccc(Cl)c3,0.0
40329,CO-ADD:0245103,3.96,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
40330,CO-ADD:0241316,3.96,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
40331,CO-ADD:0244668,3.96,N1(CN(CCCC)CCCC)c(cccc2)c2\C(=N\c(cccc3C(F)(F)F)c3)\C1=O,0.0
40332,CO-ADD:0245679,3.96,c1(SCC(=O)Nc(cc2)ccc2CC)sc3c(ccc(c3)\N=C\c(cc4)ccc4I)n1,0.0
40333,CO-ADD:0244993,3.96,N1(c2ccccc2[N+](=O)[O-])C(=O)C(C(C1=O)C34\C=N\c(cc5)ccc5CC)C(c(c36)cccc6)c(c47)cccc7,0.0
40334,CO-ADD:0244304,3.96,C(=C\c1cc(Cl)cc(Br)c1O)(/C2=O)\Sc(c23)cccc3,0.0
40335,CO-ADD:0244288,3.96,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2C=O)c1,0.0
40336,CO-ADD:0240986,3.96,N1(Cc2ccccc2)C(=O)C3C(CCCC3)C1=O,0.0
40337,CO-ADD:0244337,3.96,C(F)(F)(C(F)(F)C(F)(F)F)C(F)(F)c1cc(n(c2ccccc2)n1)O,0.0
40338,CO-ADD:0242898,3.96,[N+](=O)([O-])c(ccc1c2Cc(c13)cccc3)c2,0.0
40339,CO-ADD:0241339,3.96,N1(c2ccccc2OC)C(=O)CC(N(C)Cc3ccccc3)C1=O.Cl,0.0
40340,CO-ADD:0244298,3.96,C(=O)(Nc(cc1)ccc1Br)\C=C\c(ccc(c2OC)OC)c2,0.0
40342,CO-ADD:0245779,3.96,N1(c2ccc(cc2)Sc(cc3)ccc3[N+](=O)[O-])C(=O)c4c(cc(cc4)Oc(cc5)ccc5[N+](=O)[O-])C1=O,0.0
40343,CO-ADD:0245911,3.96,N1(C(C)=O)C(C)(C)CC(c(cc(cc2)NC(=O)C(F)(F)F)c12)(C)c3ccc(cc3)CCCCCC,0.0
40344,CO-ADD:0244437,3.96,c(N)(c1C)c(C)[nH]n1,0.0
40345,CO-ADD:0244802,3.96,S(c1ccccc1)(=O)(=O)N(c2cccc(Br)c2)CC(=O)N\N=C\c3ccccc3O,0.0
40346,CO-ADD:0242673,3.96,N1(c2cccc(c2)C(O)=O)C(=O)C(C3(C)C1=O)C(CC34)C=C4,0.0
40347,CO-ADD:0241916,3.96,N1(CN(C)CCCC)C(=O)C=CC(O)=N1,0.0
40348,CO-ADD:0240788,3.96,c1(C2c3ccc(cc3)OC)c(CCN2C(=O)c4ccc(cc4)F)c5c(cccc5)[nH]1,0.0
40349,CO-ADD:0240726,3.96,N1(c(cccc2C(F)(F)F)c2)C(c3ccc(cc3)OC)CC(c4ccc(cc4)Cl)=N1,0.0
40350,CO-ADD:0240850,3.96,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2OC)N(CC3)CCO3,0.0
40351,CO-ADD:0240251,3.96,S(CCCCCCCCCC)(=O)(=O)N\N=C\c1cccc(I)c1,0.0
40352,CO-ADD:0244705,3.96,c12c(cccc1NC(=O)\C(\C#N)=C/c3ccccc3)C(=O)c(c4C2=O)cccc4,0.0
40353,CO-ADD:0244872,3.96,C(N(CC)C(=O)N1CC)(C1N2)N=C(SC3(C(c4ccc([N+](=O)[O-])cc4)CN(C)C3(c(cccc5)c5N6)C6=O)C7=O)N27,0.0
40354,CO-ADD:0240554,3.96,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)OC)=C(O)C(N2CCN(CC)CC)=O.Cl,0.0
40355,CO-ADD:0241480,3.96,c1(Nc(cccc2C(F)(F)F)c2)nc(N\N=C\c3ccc(cc3Cl)Cl)nc(NC)n1.Cl,0.0
40356,CO-ADD:0241782,3.96,C1(C#N)(C#N)[C@H](c2ccc(cc2)Cl)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C(C)(C)C,0.0
40357,CO-ADD:0244881,3.96,C(N(C)C(=O)N1C)(C1N2)N=C(SC3(C(c4ccc(Br)cc4)CN(C)C3(c(cccc5)c5N6)C6=O)C7=O)N27,0.0
40358,CO-ADD:0245931,3.96,n12c(cc(C)n1)nnc(c(c(C#N)c(N)n3)N)c23,0.0
40359,CO-ADD:0241702,3.96,n1c(ccc(C#N)c1SCc(cc2)ccc2C)c3cccs3,0.0
40360,CO-ADD:0241119,3.96,S(=O)(=O)(c1ccc(cc1)NC(=O)c(cccc2[N+](=O)[O-])c2)Nc3nccc(C)n3,0.0
40361,CO-ADD:0245989,3.96,C(C(OCC)=O)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
40362,CO-ADD:0244971,3.96,C(=O)(C(Cc(cc1)ccc1OCc2ccccc2)NC(OCc3ccccc3)=O)Nc4cc(C)ccc4C,0.0
40363,CO-ADD:0244920,3.96,C(c(c1)cccc1)(=C2c(c3)cccc3)N(CCCNC(=O)C)C(=O)N2,0.0
40364,CO-ADD:0244235,3.96,N1(c2ccc(cc2)Oc(cc3)ccc3C(c4ccc(cc4)Oc(cc5)ccc5N6C(=O)C7C(C8CC7C=C8)C6=O)(C(F)(F)F)C(F)(F)F)C(=O)C9C(C%10CC9C=C%10)C1=O,0.0
40365,CO-ADD:0241860,3.96,c1(N(CC)CC)nc(N\N=C\c(cc(I)cc2I)c2OC)nc(Nc(ccc(c3Cl)C)c3)n1.Cl,0.0
40366,CO-ADD:0242346,3.96,c1(C#N)c(SCC#C)nc(cc1c2ccccc2OC)c3ccccc3,0.0
40367,CO-ADD:0241897,3.96,C(=C\c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])c1O)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
40368,CO-ADD:0240549,3.96,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)OC)=C(O)C(N2C)=O,0.0
40369,CO-ADD:0241494,3.96,C(=O)(N\N=C(/C)\CC(=O)Nc1c(C)cc(cc1C)C)C(=O)Nc2cc(C)ccc2OC,0.0
40370,CO-ADD:0240838,3.95,c1(O)c(cccc1\C=N\c2cccc(C)c2)OC,0.0
40371,CO-ADD:0240896,3.95,n1(c(C)c(nn1)\C(\C)=N\N=C(/C)\c(cccc2[N+](=O)[O-])c2)c3nonc3N,0.0
40372,CO-ADD:0240341,3.95,C(=O)(Nc1ccccc1)C(C(C)OCc2ccccc2)NC(=O)OC(C)(C)C,0.0
40373,CO-ADD:0256463,3.95,c1(NC(C)=O)n(c2ccccc2)nc(\C(\C#N)=C\c(ccc(c3OCC)OC)c3)c1C#N,0.0
40374,CO-ADD:0250014,3.95,c12n(ncn1N)c(nn2)SCC(=O)C3CC3,0.0
40375,CO-ADD:0256788,3.95,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(NCCOc(cc2)ccc2Cl)=O,0.0
40376,CO-ADD:0256847,3.95,C(=O)(Nc(cccn1)c1)c2ccccc2Cl,0.0
40377,CO-ADD:0253687,3.95,C1(=S)NC(C)(C)C=C(C)N1c2cccc(Cl)c2,0.0
40378,CO-ADD:0256585,3.95,C1(C2c3ccc(cc3)O)=C(c4c(cccc4)C1=O)NC(C)=C2C(OCC)=O,0.0
40379,CO-ADD:0253220,3.95,N1(CCCCC1)c(cc2)ccc2C(=O)c3ccc(cc3)F,0.0
40380,CO-ADD:0253339,3.95,C(c1ccccc1)(OC(C)=O)(CC(C(C)(C)C)CN2C(C)(C)C)C2.Cl,0.0
40381,CO-ADD:0253895,3.95,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2Cl)Cl)CC(=O)N(Cc3ccccc3)Cc4ccccc4,0.0
40382,CO-ADD:0256072,3.95,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(cc3)ccc3Br)nc(NCc4ccco4)n1.Cl,0.0
40383,CO-ADD:0250578,3.95,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccccc3)c4sc(c5c4C(OCC)=O)CCCC5,0.0
40384,CO-ADD:0256335,3.95,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Cl)c4sc(c5c4C(OC)=O)CCCC5,0.0
40385,CO-ADD:0256504,3.95,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c2ccccc2OC(C)C)=O,0.0
40386,CO-ADD:0250065,3.95,S(=O)(=O)(N(c1ccccc1)CC(=O)N(CC2)CCO2)c3ccccc3[N+](=O)[O-],0.0
40387,CO-ADD:0253904,3.95,C1(O)(CC(=O)c2ccc(cc2)CC)c3c(NC1=O)ccc(CC)c3,0.0
40388,CO-ADD:0250568,3.95,C1(C#N)(C#N)C(c2cccs2)C(C3)C(C(C#N)=C1N)=CCN3CCC,0.0
40389,CO-ADD:0255779,3.95,C1(C(=O)OC2CCCCCCC2)=C(C)NC(NC1c(cc3OC)cc(c3O)Br)=O,0.0
40390,CO-ADD:0253819,3.95,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(cc3)OC(=O)c4ccc(cc4)C)c5c(C)nn(c6ccccc6)c5O,0.0
40391,CO-ADD:0256857,3.95,c1(sc(c2n1)cccc2)NC(=O)c(c3)cc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
40392,CO-ADD:0253167,3.95,S(=O)(=O)(c(cccc1C(=O)Nc2cccc(F)c2)c1)N3CCCCCC3,0.0
40393,CO-ADD:0250494,3.95,N1(C)C(=O)\C(\SC1=S)=C/c2cc(OC)ccc2OC,0.0
40394,CO-ADD:0253900,3.95,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc4c5ccc(cc5Cl)[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
40395,CO-ADD:0249982,3.95,S(N)(=O)(=O)c1ccc(cc1)NC(COC(=O)C(CSCc2ccccc2)NC(c3ccccc3)=O)=O,0.0
40396,CO-ADD:0253691,3.95,C1(C)(C)C(CC[C@]1(C)C(OC)=O)C(=O)Nc2ccccc2C(O)=O,0.0
40397,CO-ADD:0255681,3.95,C1(=O)Oc(c(cc(c2OC(OCC)=O)Cl)S1)c2,0.0
40398,CO-ADD:0250681,3.95,N1(c(ccc(c2C(=O)Nc3cccc(C)c3C)Cl)c2)C(=O)c(c4C1=O)cccc4,0.0
40399,CO-ADD:0253599,3.95,C12(C#N)C(C1c3ccccc3)(C#N)C(=NC2(OC)OC)N,0.0
40400,CO-ADD:0256863,3.95,c1(nnc(CC(OCC)=O)s1)NC(c2ccccc2)=O,0.0
40401,CO-ADD:0254100,3.95,C1(C(OCCOC)=O)=C(C)NC(NC1c2ccccc2OCc3ccccc3)=O,0.0
40402,CO-ADD:0255428,3.95,[N+](=O)([O-])c1cccc(c1C)C(=O)Nc2cccc(C)n2,0.0
40403,CO-ADD:0255860,3.95,N1(CN2CCCc(cc(OC)cc3)c23)N=C(N(C)C1=S)COc(cc4)ccc4C5CCCCC5,0.0
40404,CO-ADD:0255588,3.95,S(=O)(=O)(c1c(ccc(c1)[N+](=O)[O-])N\N=C\c(cc2)ccc2Br)N3CCCCC3C(=O)N(CC)CC,0.0
40405,CO-ADD:0255448,3.94,c1(NC(=O)\C=C\CCCCC)sc2c(ccc(OCC)c2)n1,0.0
40406,CO-ADD:0253330,3.94,n1c(N2CCCCC2)nc(nc1N(CC3)CCO3)N\N=C\c4c(O)ccc(cccc5)c45,0.0
40407,CO-ADD:0256780,3.94,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c(cc(I)cc4I)c4OC)\C1=O,0.0
40408,CO-ADD:0255975,3.94,c(C(=O)N\N=C\c1cc(Br)cc(OC)c1O)(c(C)on2)c2c3ccccc3,0.0
40409,CO-ADD:0256322,3.94,n(c1C)(nnc1C(=O)N\N=C\c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c3nonc3N,0.0
40410,CO-ADD:0256650,3.94,c(cn(n1)Cc2ccc(cc2Cl)Cl)(\C=C(/C#N)\c3[nH]c(c4n3)ccc(C)c4)c1c5ccccc5,0.0
40411,CO-ADD:0256975,3.94,c1(sc(c(ccc2S(C)(=O)=O)n1)c2)NC(c3ccccc3)=O,0.0
40412,CO-ADD:0254059,3.94,N1(c2ccccc2)C(=O)C(CC1=O)S\C(\NCCc3ccccc3)=N/CC,0.0
40413,CO-ADD:0250547,3.94,C(=O)(N(CC1)CCN1c(cc2)c(Cl)cc2[N+](=O)[O-])c3occc3C,0.0
40414,CO-ADD:0250144,3.94,C(C(OC)=O)(=C1C)\C(=C\c(cc2)ccc2Cl)\C(N1)=O,0.0
40415,CO-ADD:0250280,3.94,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(OC)c5OCc6ccc(cc6Cl)Cl,0.0
40416,CO-ADD:0250296,3.94,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)S\C(\NCc(cc3)ccc3Cl)=N\c4ccccc4,0.0
40417,CO-ADD:0250337,3.94,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)Nc2cc(C)ccc2C,0.0
40418,CO-ADD:0250368,3.94,N1\C(=N\N=C\c(ccc(c2)N(CC)CC)c2OCc(cc3)ccc3Cl)\SCC1=O,0.0
40419,CO-ADD:0254047,3.94,C(=C/c(cc1)ccc1OC(=O)c2ccc(cc2)C)(/C3=O)\C(c4ccccc4)=NO3,0.0
40420,CO-ADD:0257043,3.94,c1(SCc(cc2)ccc2c3ccccc3)oc(c4n1)cccc4,0.0
40421,CO-ADD:0256190,3.94,N1(c(cccn2)c2)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
40422,CO-ADD:0255496,3.94,n(c(OC)ncc1NC(CCC(=O)OC\C(\Cl)=C(/Cl)\Cl)=O)c1OC,0.0
40423,CO-ADD:0256243,3.94,[N+](=O)([O-])\N=C(/N)\N=Nc(cccc1[N+](=O)[O-])c1.[K+],0.0
40424,CO-ADD:0256259,3.94,c1(NC(COC(CSc2nc(C)cc(C)n2)=O)=O)sc(c(ccc3C(OC)=O)n1)c3,0.0
40425,CO-ADD:0255650,3.94,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
40426,CO-ADD:0250719,3.94,C(=C\c(cc1OC)cc(c1O)OC)(/C(=O)NN2c3ccc(cc3)F)\C2=O,0.0
40427,CO-ADD:0253928,3.94,s1c(N)nnc1CC(=O)N\N=C\c2cccc(Cl)c2,0.0
40428,CO-ADD:0253219,3.94,c1(NC(=O)CN(CC2)CCO2)nnc(SCC(=O)Nc3c(C)cccc3C)s1,0.0
40429,CO-ADD:0255716,3.94,n1(ncn2)c2nc(C)cc1SCC,0.0
40430,CO-ADD:0256325,3.94,C([N+](=O)[O-])(C1c2cccc(OC)c2)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
40431,CO-ADD:0257126,3.94,c12c(nnc(SCC(=O)Nc3ccccc3C#N)n1)c4c(cccc4)n2CC,0.0
40432,CO-ADD:0250148,3.94,C1(C)(OCCO1)CC(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
40433,CO-ADD:0255723,3.94,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(=O)c3ccc(c4c3)cccc4)c5ccc(cc5)OC,0.0
40434,CO-ADD:0250227,3.94,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)N\N=C(/CCCCCC2)\C2,0.0
40435,CO-ADD:0250196,3.94,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
40436,CO-ADD:0250712,3.94,S(=O)(=O)(N(CC1)CCO1)c2c(F)ccc(c2)C(=O)Nc3ccccc3[N+](=O)[O-],0.0
40437,CO-ADD:0256604,3.94,C(C(OC)=O)(=C1C)\C(=C\c(ccc(c2OCC)OCCC)c2)\C(N1CCOC)=O,0.0
40438,CO-ADD:0253767,3.94,C1(SC(C(=O)N1c2ccc(cc2)OCC)C)(c3c(N4CN5CCCCC5)cccc3)C4=O,0.0
40439,CO-ADD:0254049,3.94,C(=O)(Nc(cc1)ccc1Cl)c2ccc3c(c(ccc4)CC3)c24,0.0
40440,CO-ADD:0250396,3.94,c1(\N=C\c(ccc2c3ccc(c(Cl)c3)C)o2)c(c4ccc(c(OC)c4)O)nc(cccc5)n15,0.0
40441,CO-ADD:0255964,3.94,C1(C(c(cc2)ccc2C(C)C)C3C(=O)CC(CC3=O)(C)C)=C(O)CC(C)(C)CC1=O,0.0
40442,CO-ADD:0253423,3.94,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Br)CC(=O)N\N=C(/CC)\CC,0.0
40443,CO-ADD:0256435,3.94,N1(CN(CC2)CCO2)N=C(N(C)C1=S)COc(ccc(c3C)C)c3,0.0
40444,CO-ADD:0255575,3.94,n(c1c2cccc1)c(cc(N)c(c3)N)c3n2.Cl.Cl,0.0
40445,CO-ADD:0253287,3.94,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])C)c1)N(c2ccc(cc2)OC)CC(=O)Nc3ccc(cc3C)Cl,0.0
40446,CO-ADD:0253272,3.94,C(C1Cl)(c2c3ccc(Cl)c2)C(CC1Sc4ccccc4[N+](=O)[O-])C(N3)c5ccccc5,0.0
40447,CO-ADD:0250220,3.94,c1(c(ccc(c1)[N+](=O)[O-])Oc(cc2)ccc2C(=O)OCC(=O)c3ccc(cc3)Cl)[N+](=O)[O-],0.0
40448,CO-ADD:0253707,3.94,S(=O)(=O)(c(cccc1C(=O)Oc(cc2)ccc2OC(=O)c(cccc3S(=O)(=O)N(CC4)CCO4)c3)c1)N(CC5)CCO5,0.0
40449,CO-ADD:0255713,3.94,c1(c2ccccc2c3nnc(N)s3)nnc(N)s1,0.0
40450,CO-ADD:0256574,3.94,c1(C(c2ccccc2)=O)coc(ccc(O)c3CN(CC4)CCN4C)c13,0.0
40452,CO-ADD:0253806,3.93,c(c(C)c(s1)C)(C2=O)c1N=C(SCc3ccccc3Cl)N2c4ccccc4,0.0
40453,CO-ADD:0249999,3.93,n1c(N(CC2)CCO2)c(Nc3cccc(Cl)c3)nc(non4)c14,0.0
40454,CO-ADD:0255442,3.93,C(C(C)=O)(C1c2ccc(cc2)Br)=C(O)C(N1Cc3ccccc3)=O,0.0
40455,CO-ADD:0255627,3.93,N1(c2cccc(cccc3)c23)C(=O)c(c4C1=O)ccc(C(OCC)=O)c4,0.0
40456,CO-ADD:0253671,3.93,c1(C(O\N=C\c(cc2)ccc2C)=O)nn(cc1Cl)C,0.0
40457,CO-ADD:0256132,3.93,[N+](=O)([O-])c1c(OC)ccc(c1)C(=O)O\N=C(/CC2)\c3c(C2)cc(c(C)c3)O,0.0
40458,CO-ADD:0256149,3.93,N1(Cc2ccccc2)C(=O)\C(\SC1=S)=C/c3ccccc3OCc4ccccc4,0.0
40459,CO-ADD:0255349,3.93,N(CCN1C(=O)CN(CC2)CCO2)(C1c3ccccc3)S(=O)(=O)c4ccc(cc4)C,0.0
40460,CO-ADD:0255890,3.93,C(=O)(c1ccc(c(OC)c1)OC)Nc(cc2)cc(c2N(CC)CC)C,0.0
40461,CO-ADD:0255946,3.93,S(=O)(=O)(c1ccc(cc1)Oc2ccccc2)Nc3ccccn3,0.0
40462,CO-ADD:0255498,3.93,n1(nnc(C(OC)=O)c1CN(CC)CC)c2nonc2N,0.0
40463,CO-ADD:0255514,3.93,N1(c2ccc(cc2)I)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
40464,CO-ADD:0255956,3.93,c1(cccc(C)c1O)C(=O)OCC(c2ccccc2)=O,0.0
40465,CO-ADD:0250060,3.93,C(/C(=O)c(cc1)ccc1[N+](=O)[O-])=C(/N(CC)CC)\C(C)(C)OC,0.0
40466,CO-ADD:0250477,3.93,N1(C(=O)Cc2ccccc2)N=C(CC1(O)c3ccc(cc3)Br)CC,0.0
40467,CO-ADD:0253300,3.93,C(=O)(N\N=C(/C)\CC(=O)Nc1ccc(cc1C)Cl)C(=O)Nc2cc(C)ccc2OC,0.0
40468,CO-ADD:0256607,3.93,n1(nnc(C(OC)=O)c1CN(CC2)CCO2)c3nonc3N,0.0
40469,CO-ADD:0254103,3.93,C1(C(=O)OC2CCCCCCC2)=C(C)NC(NC1c3cccc(cccc4)c34)=O,0.0
40470,CO-ADD:0256577,3.93,C1(C)(CC[C@@H](C2(C)C)O)C2CC=C(C)C1COc(ccc(c34)C=CC(=O)O3)c4,0.0
40471,CO-ADD:0256961,3.93,c1(cc(ccc1N(CC2)CCO2)\C=N\c(cc3)ccc3CC(OCC)=O)[N+](=O)[O-],0.0
40472,CO-ADD:0256046,3.93,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3OC)O)c3)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
40473,CO-ADD:0253308,3.93,C(CSCc(cc1)ccc1OC)(=O)N\N=C(/CCCCCCCCCC2)\C2,0.0
40474,CO-ADD:0250071,3.93,N1(CC(CC1C(=O)Nc2cccc(C)c2)O)C(=O)OCc3ccccc3,0.0
40475,CO-ADD:0253323,3.93,C1(C(C)(C)N(C(=S)S1)C)N(C(c2ccccc2)C(C3C(N4c5ccccc5)=O)C4=O)O3,0.0
40476,CO-ADD:0255478,3.93,S(=O)(=O)(c1ccc(cc1)NC(=O)c(cc([N+](=O)[O-])c(c2[N+](=O)[O-])Nc(cccc3C(C)=O)c3)c2)Nc4nc(C)cc(C)n4,0.0
40477,CO-ADD:0250431,3.93,n12c(S\C(=C/c3cc(Br)ccc3OC)\C1=O)nc(cc(C)c(C)c4)c24,0.0
40478,CO-ADD:0253151,3.93,N1(c2cccc(c2)OC(=O)c(cc3)ccc3c4ccccc4)C(=O)c(c5C1=O)cccc5,0.0
40479,CO-ADD:0253161,3.93,S(=O)(=O)(N1CCCC1)c2c(C)ccc(c2)C(=O)Nc(cc3)ccc3I,0.0
40480,CO-ADD:0253723,3.93,N1(CC(=O)Nc(cccc2[N+](=O)[O-])c2)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
40481,CO-ADD:0250315,3.93,C(=S)(Nc1ccccc1)N(CC2)CCN2c(cccc3C(F)(F)F)c3,0.0
40482,CO-ADD:0250210,3.93,C(CC(C)(C)CC1=O)(Nc2c(OC)ccc(OC)c2)=C1,0.0
40483,CO-ADD:0255997,3.93,C(C#N)(C(c1sccc1C)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
40484,CO-ADD:0255703,3.93,C(/C(C)=NN1c2ccccc2)(=C(/c3c(cccc3)CC4(CC)CC)\N4)\C1=O,0.0
40485,CO-ADD:0255546,3.93,C(=O)(c1ccc(cc1)Br)Nc(cccc2C(OCC)=O)c2,0.0
40486,CO-ADD:0255269,3.93,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccccc4OC(C)C,0.0
40487,CO-ADD:0253313,3.93,N1(c2ccccc2F)C(=O)C(C3C1=O)C(C=C4)C5(C34)CC5,0.0
40488,CO-ADD:0256605,3.93,N1(CCC(CC1C)C)c2ccc(cc2\C=N\Nc(cc3)ccc3[N+](=O)[O-])[N+](=O)[O-],0.0
40489,CO-ADD:0256531,3.92,n1(CN(CC2)CCO2)nnc(c3ccccc3)n1,0.0
40490,CO-ADD:0255342,3.92,C12(c3c(cccc3)C(=NN1c4ccccc4)c(cc5)ccc5C(C)C)SC(=NN2c6ccccc6)c7ccccc7,0.0
40491,CO-ADD:0250572,3.92,N1(CNc2ccccc2Br)N=C(OC1=S)c3ccc(cc3)C,0.0
40492,CO-ADD:0250636,3.92,N(CN1CCCC1)(N=C(N2C)c3ccccc3)C2=S,0.0
40493,CO-ADD:0256221,3.92,N(Cc(cc1)ccc1Br)(c2ccccc2I)C(=O)c3ccccc3C,0.0
40494,CO-ADD:0250285,3.92,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c5ccc(c(C)c5)C)n4.Br,0.0
40495,CO-ADD:0253526,3.92,c1(C#N)c(COC)cc(nc1N\N=C\c(ccc2c(ccc(c3Cl)Cl)c3)o2)C,0.0
40496,CO-ADD:0256954,3.92,C(CNC(COc1ccc(cc1Cl)Cl)=O)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
40497,CO-ADD:0250162,3.92,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cccc3[N+](=O)[O-])c3)c4sc(c5c4C#N)CCCCC5,0.0
40498,CO-ADD:0256211,3.92,C(=O)(Nc1cccc(Cl)c1)CCN(CC2)CCN2CCO,0.0
40499,CO-ADD:0256059,3.92,c1(N(CC2)CCO2)nc(N\N=C/c(ccc3c(ccc(c4[N+](=O)[O-])Cl)c4)o3)nc(Nc(cc5)ccc5F)n1.Cl,0.0
40500,CO-ADD:0253963,3.92,n(nnc1C(=O)N\N=C(\C)/c2ccc(Cl)s2)(c1COC)c3nonc3N,0.0
40501,CO-ADD:0250264,3.92,C(=O)(Nc1cccc(Br)c1)CCN(CC2)CCO2.Cl,0.0
40502,CO-ADD:0256251,3.92,c1(scc(c2ccccc2)n1)NC(CSc3nnc(C)[nH]3)=O,0.0
40503,CO-ADD:0253927,3.92,S1(=O)(=O)c(cccc2)c2C(N(C)c3ccc(cc3)OC(=O)c4ccccc4Cl)=N1,0.0
40504,CO-ADD:0256374,3.92,c1(c2ccccc2C#N)nnn(CC(=O)N\N=C\c(c(Cl)ccc3[N+](=O)[O-])c3)n1,0.0
40505,CO-ADD:0256855,3.92,s1c(Cc2ccccc2)nnc1N,0.0
40506,CO-ADD:0257182,3.92,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)cc(c5OC(C)C)OC,0.0
40507,CO-ADD:0253349,3.92,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)N1)=C\c3ccco3,0.0
40508,CO-ADD:0255954,3.92,n1(c2c(nn1)cccc2)C(=O)C(c3c4cccc3)c5c(O4)cccc5,0.0
40509,CO-ADD:0254020,3.92,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c5cc(Br)cc(I)c5O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
40510,CO-ADD:0253812,3.92,S(c1ccccc1)(=O)(=O)N(Cc2ccccc2)CC(=O)N\N=C(/CCCCCC3)\C3,0.0
40511,CO-ADD:0256588,3.92,c1(NC(COC(=O)c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2)=O)nnc(C)s1,0.0
40512,CO-ADD:0255432,3.92,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc2ccc(cc2C)C)Cl,0.0
40513,CO-ADD:0250723,3.92,S(c1ccccc1)(=O)(=O)Nc2nc(cccc3)c3nc2Nc(cc4)ccc4OCC,0.0
40514,CO-ADD:0249911,3.92,c(non1)(nc(Nc(cc2)ccc2I)c(n3)Nc(cc4)ccc4I)c13,0.0
40515,CO-ADD:0257048,3.92,c1(C(OCC)=O)c(N)scc1c2cccc(OC)c2,0.0
40516,CO-ADD:0253860,3.92,c1(SCc2cccc(CSc3nnnn3C)n2)nnnn1C,0.0
40517,CO-ADD:0256576,3.92,C(SSC1=O)(S2)=C1N(C3=C2SSC3=O)CC(CCl)Cl,0.0
40518,CO-ADD:0255321,3.92,C(=N\Nc(cccc1C(F)(F)F)c1)(/C(N)=NN2)\C2=N,0.0
40519,CO-ADD:0256514,3.92,c(NC(=O)c(cc1)ccc1C(C)(C)C)(sc(c2c3ccccc3)c4ccccc4)n2.Cl,0.0
40520,CO-ADD:0250231,3.92,C(CSCc(c1)cc(cc1C)C)(=O)N\N=C\c(cc2)ccc2OCC,0.0
40521,CO-ADD:0250707,3.92,S(=O)(=O)(N1CCCC1)c2c(C)ccc(c2)C(=O)Nc(cccc3C(O)=O)c3,0.0
40522,CO-ADD:0253299,3.92,S(=O)(=O)(c(ccc(c12)C(=O)c(c3C1=O)cccc3)c2)NNC(=O)[C@H]4C[C@@H]4c5ccccc5,0.0
40523,CO-ADD:0256098,3.92,c1(c(O)c(\C=N\Nc(nc(Nc(cc2)ccc2F)nc3N(CC4)CCO4)n3)cc(c1)[N+](=O)[O-])[N+](=O)[O-].Cl,0.0
40524,CO-ADD:0249985,3.92,c12c(nnc(SCC(=O)Nc3ccc(cc3[N+](=O)[O-])Cl)n1)c4c(cccc4)n2C,0.0
40525,CO-ADD:0255576,3.92,n(c1c2cccc1)c(cc(N)c(c3)N)c3n2,0.0
40526,CO-ADD:0255647,3.92,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Cl)n1,0.0
40527,CO-ADD:0256330,3.92,C(=O)(Nc(cc1)ccc1C(OCCCC)=O)c2ccccc2C(=O)c3[nH]ccn3,0.0
40528,CO-ADD:0257147,3.92,n1(nc(s2)SCC(=O)Nc3nnc(SCCCC)s3)c2nnc1SCC(=O)Nc4nnc(SCCCC)s4,0.0
40529,CO-ADD:0257171,3.92,C1(=O)Oc2c(C3=C1CCC3)ccc(OCC=C)c2,0.0
40530,CO-ADD:0255450,3.92,C(C(OCC)=O)(C1c2ccc(cc2)CC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
40531,CO-ADD:0256006,3.92,c1(nnc(CC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)s1)NC(c3ccccc3)=O,0.0
40532,CO-ADD:0257062,3.92,C(=O)(NCc1ccccc1)C(NCCCCCCCCCCCC)=O,0.0
40533,CO-ADD:0257007,3.92,C(SCC(=O)c1cccc(cccc2)c12)#N,0.0
40534,CO-ADD:0257047,3.91,C(=O)(c1ccc(cc1)CN(C)C)Oc(cc2)ccc2C(C)(C)C.Cl,0.0
40535,CO-ADD:0253705,3.91,C(=O)(N\N=C\c1ccccc1O)C(=O)Nc(c2)cc(cc2C)C,0.0
40536,CO-ADD:0250531,3.91,C(=N/c1cccc(F)c1)(/c(cccc2)c23)\C=C(C3=O)O,0.0
40537,CO-ADD:0250532,3.91,C12(c3c(NC1=O)cccc3)SC(C(=O)N2c4cccc(F)c4)C,0.0
40538,CO-ADD:0253906,3.91,N1(CN(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])c(cccc4)c4\C(=N\c5cccc(F)c5)\C1=O,0.0
40539,CO-ADD:0250610,3.91,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C/c(cc(n3c4ccccc4)C)c3C,0.0
40540,CO-ADD:0253994,3.91,c(c1c2ccccc2)(C3c4ccc(c(Cl)c4)Cl)c([nH]n1)OC(N)=C3C#N,0.0
40541,CO-ADD:0256450,3.91,C(C)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc5cccc(Cl)c5C)C24,0.0
40542,CO-ADD:0256754,3.91,c(C#N)(c(N([H])[H])n(n1)CCO[H])c1\C(\C#N)=C\c2ccc(cc2OC)OC,0.0
40543,CO-ADD:0256582,3.91,O1C(=O)C=Cc(ccc(OC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/C)c2)c12,0.0
40544,CO-ADD:0257160,3.91,n1(c2c(n3)cccc2)c3S\C(=C\c(c4)c(N5CCC(CC5)C)cc(N6CCC(CC6)C)c4[N+](=O)[O-])\C1=O,0.0
40545,CO-ADD:0255967,3.91,c1(c(C)cc(cc1C)C)NC(CCCCC(=O)Nc2c(C)cc(cc2C)C)=O,0.0
40546,CO-ADD:0250350,3.91,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)NC4CCCCC4,0.0
40547,CO-ADD:0253765,3.91,N1(CN(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])c(cccc4)c4\C(=N\c(ccc(c56)cccc5)c6)\C1=O,0.0
40548,CO-ADD:0255551,3.91,C(=O)(c(cc1)ccc1C(C)(C)C)NCC(=O)N\N=C\c2ccccc2OCC(O)=O,0.0
40549,CO-ADD:0256955,3.91,S(=O)(=O)(N(C)C)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c2ccc(cc2Cl)Cl,0.0
40550,CO-ADD:0256397,3.91,N1(c2cccc(c2)C(=O)Nc3sc(c4n3)cccc4)C(=O)c(c5C1=O)ccc(c5)C(=O)Nc6sc(c7n6)cccc7,0.0
40551,CO-ADD:0256422,3.91,N1(CN2CCC(CC2)Cc3ccccc3)N=C(OC1=S)c(cc4)ccc4C(C)(C)C,0.0
40552,CO-ADD:0256490,3.91,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc(c4OC)OCc([nH]nn5)n5)c4)\C1=O,0.0
40553,CO-ADD:0257116,3.91,n1(c(c2ccccc2)c(nn1)C(O)=O)c3nonc3N,0.0
40554,CO-ADD:0253238,3.91,S1(=O)(=O)c(cccc2)c2C(Nc3cccc(c3)OC(=O)c4ccc(cc4)Br)=N1,0.0
40555,CO-ADD:0253735,3.91,N1C(=O)\C(\SC1=O)=C/c(ccs2)c2,0.0
40556,CO-ADD:0253992,3.91,c(c1c2ccccc2)([C@@]3([H])c4ccccc4[N+](=O)[O-])c([nH]n1)OC(N)=C3C#N,0.0
40557,CO-ADD:0256767,3.91,[N+](=O)([O-])\N=C(/N)\N\N=C\c(ccc1c2ccc(cc2[N+](=O)[O-])OC)o1,0.0
40558,CO-ADD:0253849,3.91,C1(N(CC(=O)N\N=C\c2ccccn2)S(c3ccccc3)(=O)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
40559,CO-ADD:0256469,3.91,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cccc4[N+](=O)[O-])c4OC,0.0
40560,CO-ADD:0256622,3.91,C1(\N=C\c(ccc2[N+](=O)[O-])o2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
40561,CO-ADD:0254053,3.91,n1c(c2ccccc2)c([nH]c1c(cccn3)c3)c4ccccc4,0.0
40562,CO-ADD:0256421,3.91,N1(CC)C(=S)NN=C1c2ccc(cc2)OCC,0.0
40563,CO-ADD:0257148,3.91,c12n(ncn1N)c(nn2)SCC(=O)Nc3nnc(SCCCC)s3,0.0
40564,CO-ADD:0250706,3.91,S(=O)(=O)(N(CC1)CCO1)c2c(C)ccc(c2)C(=O)NCC(O)=O,0.0
40565,CO-ADD:0257161,3.91,N1(c(cc2)ccc2C(C)=O)C(=O)CC(N(C)Cc3ccccc3)C1=O,0.0
40566,CO-ADD:0253259,3.91,N1(C(=O)c2cccc(C)c2)C(O)(c3ccc(cc3)CC)CC(C(F)(F)F)=N1,0.0
40567,CO-ADD:0256624,3.91,C1(N(CC(=O)N\N=C\c(ccc(c23)OCO2)c3)S(c4ccccc4)(=O)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
40568,CO-ADD:0255969,3.91,N1(c2ccc(c(F)c2)C)C(=O)c(c3C1=O)cccc3,0.0
40569,CO-ADD:0250333,3.91,C(CSCc(cc1)ccc1Br)(NCCSc(cc2)ccc2Cl)=O,0.0
40570,CO-ADD:0256237,3.91,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C\c(cc5)ccc5[N+](=O)[O-])\C6=O)N36)N(C(=O)N1C)C,0.0
40571,CO-ADD:0256941,3.91,C1(c2ccccc2Cl)=Nc3c(cccc3C)C(=O)O1,0.0
40572,CO-ADD:0256406,3.91,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N3CCSC3c4cccc(Cl)c4,0.0
40573,CO-ADD:0256684,3.91,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5Br)c(OC)cc5N(CC)CC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
40574,CO-ADD:0257101,3.91,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1\N=C\c(cc3)ccc3N(C)C,0.0
40575,CO-ADD:0253912,3.91,n1(c2ccccc2)c(COc(cc3)ccc3C(C)(C)C)nnc1SCC(=O)NCc4ccccc4,0.0
40576,CO-ADD:0253700,3.91,C(=O)(N\N=C\c(cc1)ccc1OCCCC)C(=O)Nc2cc(C)ccc2C,0.0
40577,CO-ADD:0250631,3.91,N1(CC)C(=O)\C(\SC1=S)=C/c(ccs2)c2,0.0
40578,CO-ADD:0250654,3.9,N1(c2ccccc2[N+](=O)[O-])C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(c5c4)OCO5,0.0
40579,CO-ADD:0253572,3.9,N(CN(CC1)CCN1c(cccc2C(F)(F)F)c2)(N=C(N3c4ccccc4)c5ccccc5)C3=S,0.0
40580,CO-ADD:0257009,3.9,N1(c2ccc(cc2)CC)C(c3ccc(cc3)OCC(C)C)Nc(c4C1=O)cccc4,0.0
40581,CO-ADD:0257073,3.9,C(=O)(NCC(CCCC)CC)C(NCCc(ccc(c1OC)OC)c1)=O,0.0
40582,CO-ADD:0253734,3.9,N1(c2ccccc2)C(=O)\C(\SC1=S)=C/c(cc(n3c4ccccc4)C)c3C,0.0
40583,CO-ADD:0256965,3.9,N1(NC(=O)c2ccc(cc2)O)C(=O)c3c(cccc3)C1=O,0.0
40584,CO-ADD:0256301,3.9,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(Cl)cc(Cl)c5OC,0.0
40585,CO-ADD:0219569,3.9,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc2c(C)ccc(Cl)c2,0.0
40586,CO-ADD:0219235,3.9,S(=O)(=O)(c(ccc(c1NC(=O)c(cc2)ccc2[N+](=O)[O-])Cl)c1)Nc(c3)cc(cc3C(OC)=O)C(OC)=O,0.0
40587,CO-ADD:0219206,3.9,C(COc1cccc(Br)c1)(NCCCCCCCCNC(COc2cccc(Br)c2)=O)=O,0.0
40588,CO-ADD:0218145,3.9,s1c(CCc2ccccc2)nnc1N,0.0
40589,CO-ADD:0218537,3.9,C(=O)(N\N=C\c(ccc(c12)OCO1)c2)C(=O)Nc3cccc(C)c3C,0.0
40590,CO-ADD:0218201,3.9,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCO2,0.0
40591,CO-ADD:0225582,3.9,N12C(C=CC(Sc3cccc(F)c3)=N1)=NN(CC(=O)Nc4c(C)cc(cc4C)C)C2=O,0.0
40592,CO-ADD:0218438,3.9,[N+](=O)([O-])c1c(\C=N\NC(COc(cc2)ccc2Br)=O)cc(c(OC)c1)OC,0.0
40593,CO-ADD:0217950,3.9,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(=O)c4ccc(cc4)C,0.0
40594,CO-ADD:0217982,3.9,c1(ccc(\C=N\NC(COc2c(Br)cc(cc2Br)OC)=O)o1)c3ccc(cc3Cl)Cl,0.0
40595,CO-ADD:0217990,3.9,c1(c2ccc(cc2)Br)ccc(\C=N\NC(COc(cc3)ccc3Cl)=O)o1,0.0
40596,CO-ADD:0225520,3.9,c12n(c3c(cccc3)nc1SCc4c(C)oc(c5ccccc5)n4)c(nn2)C,0.0
40597,CO-ADD:0229729,3.9,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c4cc(Br)cc(Br)c4OC(c5ccccc5)=O,0.0
40598,CO-ADD:0227304,3.9,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1OC)Br)=O)Nc2ccccc2OC,0.0
40599,CO-ADD:0229669,3.9,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5cccc(Cl)c5)C(C)=O,0.0
40600,CO-ADD:0227418,3.9,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(ccc(c3I)OC)c3,0.0
40601,CO-ADD:0227394,3.9,c(Br)(c(C)c(C)cc1\C=N\c(cc2)ccc2N(CC3)CCO3)c1O,0.0
40602,CO-ADD:0231615,3.9,[N+](=O)([O-])c1cc2c(cc1\C=N\c(cc3)ccc3I)OCO2,0.0
40603,CO-ADD:0233329,3.9,C(C)(c1ccc(cc1)OCC)(CC(O)=O)C(O)=O,0.0
40604,CO-ADD:0231579,3.9,c1(nc2)n(ncc1C(OCC)=O)c(c2C(OCC)=O)C,0.0
40605,CO-ADD:0236060,3.9,C1(CCCC2)C2C1C(=O)N\N=C\c(cc3)cc(c3OC(C)=O)OC,0.0
40606,CO-ADD:0234360,3.9,C(/C#N)(\C#N)=C(\SCCCCCCCCCCCCCCCC)/NCC=C,0.0
40607,CO-ADD:0234380,3.9,P(c1ccccc1)(c2ccccc2)(=S)Oc(cc3)ccc3Br,0.0
40608,CO-ADD:0234604,3.9,c1(ccc(C(=O)Oc2ccc(cc2\C=N\NC(COc(cc3)c(Br)cc3[N+](=O)[O-])=O)Br)o1)[N+](=O)[O-],0.0
40609,CO-ADD:0231386,3.9,N1\C(=N/N=C/c(ccc(c2[N+](=O)[O-])Cl)c2)\S\C(=C\c(cc3)ccc3OC)\C1=O,0.0
40610,CO-ADD:0231043,3.9,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1Br)C)=O)Nc2ccccc2c3ccccc3,0.0
40611,CO-ADD:0236776,3.9,S(=O)(=O)(N(CC1)CCO1)c(cc2)c3c(c2[N+](=O)[O-])cccc3,0.0
40612,CO-ADD:0236651,3.9,n1c(ccc(C#N)c1SCC(=O)NC2CC2)c3cccs3,0.0
40613,CO-ADD:0233279,3.9,[N+](=O)([O-])c(cc1)cc(c1NC(=O)c2ccccc2NC(c3ccccc3)=O)C,0.0
40614,CO-ADD:0236543,3.9,C1(C#N)(C#N)[C@@H](c2ccccc2C(F)(F)F)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)c5cccs5,0.0
40615,CO-ADD:0236462,3.9,n(c1C)(nnc1C(=O)N\N=C(/C)\c2ccccc2)c3nonc3N,0.0
40616,CO-ADD:0231450,3.9,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c4ccccc4Cl,0.0
40617,CO-ADD:0232829,3.9,C(NCCOc1ccccc1Cc2ccccc2)(=S)Nc3ccccc3C,0.0
40618,CO-ADD:0221738,3.9,C(F)(F)(F)c1cccc(c1)NC(=O)Nc2c(Cl)cc(c(F)c2)F,0.0
40619,CO-ADD:0221498,3.9,C(=O)(c(cccc1C(=O)Nc2ccccc2C)c1)Nc3ccccc3C,0.0
40620,CO-ADD:0222134,3.9,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c(c5)c(O)c(cc5[N+](=O)[O-])Br,0.0
40621,CO-ADD:0222207,3.9,c1(c2ccc(c3c2)cccc3)oc4c(ccc(c4)\N=C\c(c(O)ccc5[N+](=O)[O-])c5)n1,0.0
40622,CO-ADD:0221281,3.9,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CN(C)C,0.0
40623,CO-ADD:0222338,3.9,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c4cccc(I)c4O,0.0
40624,CO-ADD:0222822,3.9,C(/C(OCC)=O)(\C(OCC)=O)=C/Nc1cc(C)ccc1OC,0.0
40625,CO-ADD:0222802,3.9,N1(c2ccc(c(C)c2)C)C(=O)C(C3C1=O)C(C=C4)C5C(C5)C34,0.0
40626,CO-ADD:0222805,3.9,[N+](=O)([O-])\C=C\c(ccc(c1OC)OC)c1,0.0
40627,CO-ADD:0222232,3.9,c(\C=N\NC(CNc(ccc(c12)cccc1)c2)=O)(cc(I)cc3I)c3O,0.0
40628,CO-ADD:0222413,3.9,c1(c(Br)cc(cc1\C=N\NC(c(cc2)ccn2)=O)Br)OC(c3ccccc3)=O,0.0
40629,CO-ADD:0220400,3.9,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c2ccccc2O,0.0
40630,CO-ADD:0220829,3.9,c(Nc1ccccc1)(nc(N\N=C\c(cc(Br)cc2Br)c2O)nc3Nc(cc4)ccc4OC)n3,0.0
40631,CO-ADD:0222452,3.89,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(c(cc3)ccn3)=O,0.0
40632,CO-ADD:0221913,3.89,C(=C/c1ccc(cc1Cl)Cl)(/C(C)=NN2c3ccccc3)\C2=O,0.0
40633,CO-ADD:0220788,3.89,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc2ccccc2C)=O)c3ccccc3Cl,0.0
40634,CO-ADD:0220828,3.89,c(Nc1ccccc1)(nc(N\N=C\c(cccc2[N+](=O)[O-])c2)nc3Nc(cc4)ccc4OC)n3,0.0
40635,CO-ADD:0226112,3.89,S(=O)(=O)(N(Cc1ccccc1)c2ccc(cc2)CC)c3cccn(cnn4)c34,0.0
40636,CO-ADD:0218789,3.89,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1CC)C(=O)Nc2cccc(C)c2,0.0
40637,CO-ADD:0225726,3.89,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4cc(C)ccc4C)=O,0.0
40638,CO-ADD:0166789,3.89,N1(c(cc2)ccc2S(=O)(=O)Nc(cc3)ccc3C)C(=O)c(c4)c(c(c5)C1=O)c(cc4[N+](=O)[O-])cc5[N+](=O)[O-],0.0
40639,CO-ADD:0166093,3.89,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(cc3)ccc3O,0.0
40640,CO-ADD:0165977,3.89,C(=O)(N\N=C\c(cc1)ccc1Br)c2ccc(cc2)COc(cc3)ccc3C,0.0
40641,CO-ADD:0166008,3.89,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c2ccccc2Cl,0.0
40642,CO-ADD:0231742,3.89,[N+](=O)([O-])c(ccc(c1\C=N\Nc2ccccc2)N(CC(C)C)CC(C)C)c1,0.0
40643,CO-ADD:0227928,3.89,c1(NCC(=O)N\N=C\c(ccc(c23)OCO2)c3)c(Br)cc(cc1Br)Cl,0.0
40644,CO-ADD:0229210,3.89,c1(S(CC)(=O)=O)c(C(OC)=O)n2c(cccc2)c1S(CC)(=O)=O,0.0
40645,CO-ADD:0231678,3.89,c1(C(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)nn(c(c3ccccc3)n1)c4ccccc4,0.0
40646,CO-ADD:0227494,3.89,c1(ccc(\C=N\NC(=O)\C(=C/c(ccc(c23)OCO2)c3)\NC(c4ccccc4)=O)o1)c5cc(Cl)ccc5Cl,0.0
40647,CO-ADD:0229443,3.89,N(/c1cccc(c1)\N=C\c(ccc(c2OC)OC)c2)=C\c(ccc(c3OC)OC)c3,0.0
40648,CO-ADD:0233117,3.89,N1(C(C)Cc(c2c(n3[H])cccc2)c3)C(=O)c(c4C1=O)cccc4,0.0
40649,CO-ADD:0234907,3.89,c1(N(CC2)CCO2)nc(N\N=C\c(cc3OC)cc(c3O)Br)nc(Nc4ccccc4)n1,0.0
40650,CO-ADD:0227133,3.89,N1(c(cc2)ccc2C(C)=O)C(=O)c(c(cc(c3C4=O)C(N4c(cc5)ccc5C(C)=O)=O)C1=O)c3,0.0
40651,CO-ADD:0234784,3.89,c1(c2ccc(OCC(=O)Oc3ccccc3)c1)OC(C=C2C)=O,0.0
40652,CO-ADD:0233121,3.89,C(=C/NCC=C)(/C(=O)C1)\C(=O)CC1(C)C,0.0
40653,CO-ADD:0229160,3.89,c1(NC(=O)c(cc2OC)cc(c2OC)OC)sc(c3c1C(OCC)=O)CCCC3,0.0
40654,CO-ADD:0233646,3.89,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Br)cc3Cl)c3O)c4ccc(cc4Cl)F,0.0
40655,CO-ADD:0233241,3.89,c12c(ccc(O)c1O)C(=O)c(c3C2=O)cccc3,0.0
40656,CO-ADD:0234468,3.89,c12c(ccc(NC(C)=O)n1)c(C)cc(C)n2,0.0
40657,CO-ADD:0231124,3.89,C(/O)(\c1cccc(C)c1)=C/C=N/c(cc2)ccc2C,0.0
40658,CO-ADD:0234598,3.89,N(\C(=C/c(cc1)ccc1N(C)C)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
40659,CO-ADD:0233393,3.89,c12c(ccc(c13)nn(c4ccccc4)n3)nn(c5ccccc5)n2,0.0
40660,CO-ADD:0231433,3.89,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4cccc(I)c4,0.0
40661,CO-ADD:0233422,3.89,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(cc3)ccc3OCCCC,0.0
40662,CO-ADD:0236168,3.89,c1(N(CC2)CCO2)nc(N\N=C(/C)\c3ccc(cc3)NC(C)=O)nc(Nc4cccc(cccc5)c45)n1,0.0
40663,CO-ADD:0220925,3.89,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c2cc(OC)ccc2OC)[N+](=O)[O-],0.0
40664,CO-ADD:0221592,3.89,N1(CC(N(c2ccc(cc2Cl)Cl)C1=N)=O)c3nc(N(C)C)nc(N(C)C)n3,0.0
40665,CO-ADD:0225899,3.89,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)Nc4cccc(OC)c4)C2=O,0.0
40666,CO-ADD:0226391,3.89,c12n(cnn1)c3c(cccc3)nc2SCC(=O)Nc4cccc(Br)c4,0.0
40667,CO-ADD:0226352,3.89,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)NCc4ccccc4,0.0
40668,CO-ADD:0220158,3.89,c1(oc(c2n1)ccc(C)c2)c3ccc(cc3O)\N=C\c(cccc4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])c4,0.0
40669,CO-ADD:0221223,3.89,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NCC(OC(C)C)=O,0.0
40670,CO-ADD:0219436,3.89,N(=C\c1ccccc1OCc(cc2)ccc2Cl)/NC(CCCC)=O,0.0
40671,CO-ADD:0221850,3.89,C1(C#N)=C(C2CC2)CC(C(C#N)=C1N)c(cccc3[N+](=O)[O-])c3,0.0
40672,CO-ADD:0219280,3.89,C(=O)(Nc(cc1)ccc1Cl)Nc(cc2)ccc2C(OCC)=O,0.0
40673,CO-ADD:0221806,3.89,C(=N/N=C/c1cc(Br)ccc1O)(/Sc(c23)cccc2)\N3CCCS(=O)(=O)[O-].[Na+],0.0
40674,CO-ADD:0220824,3.89,c1(C#N)c(COC)cc(nc1N\N=C\c(cc2OC)cc(c2O)Br)C,0.0
40675,CO-ADD:0220816,3.89,c(Nc1ccccc1)(nc(N\N=C\c(cc2)ccc2I)nc3Nc(cc4)ccc4OC)n3,0.0
40676,CO-ADD:0222447,3.89,C(=O)(N\N=C\c(cc1)ccc1OC(=O)c2cccc(F)c2)C(O)(c3ccccc3)c4ccccc4,0.0
40677,CO-ADD:0221951,3.89,c1(c(OC)ccc(OC)c1)NC(CCC(OC)=O)=O,0.0
40678,CO-ADD:0220778,3.89,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(CNc3cccc(C)c3)=O,0.0
40679,CO-ADD:0220574,3.89,C(CNc1ccccc1C)(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
40680,CO-ADD:0225825,3.89,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)Nc(cc4)ccc4C)=O,0.0
40681,CO-ADD:0225945,3.89,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4cccc(OC)c4)C2=O,0.0
40682,CO-ADD:0226825,3.89,c12n(cnn1)c3c(cccc3)nc2SCC(=O)Nc4cc(C)ccc4OC,0.0
40683,CO-ADD:0226865,3.89,N1(c(ccs2)c2C(N3CCC)=O)C3=NN(CC(=O)c4ccc(c(OC)c4)OC)C1=O,0.0
40684,CO-ADD:0218341,3.89,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(=O)c(cccn2)c2,0.0
40685,CO-ADD:0218301,3.88,[N+](=O)([O-])c1ccccc1N\N=C(/C2)\CCCC2,0.0
40686,CO-ADD:0166706,3.88,C1(C#N)(C#N)[C@@H](c(ccs2)c2)[C@]([H])(C3)C(C(C#N)=C1N)=CCN3C(C)C,0.0
40687,CO-ADD:0165934,3.88,C(Oc(cccc1C(=O)Nc(ccc(c2C)C)c2)c1)(=S)Nc(cc3)ccc3I,0.0
40688,CO-ADD:0166753,3.88,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\Nc(c(Cl)ccc3[N+](=O)[O-])c3,0.0
40689,CO-ADD:0166244,3.88,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)OC2CC(C)CCC2C3CC(CC34)CC4)c1,0.0
40690,CO-ADD:0166333,3.88,c1(nc(OC)nc(N(C)C)n1)N(C#N)C(C)C(=O)N(C)C,0.0
40691,CO-ADD:0166032,3.88,N(=C\c(cc1)ccc1OC(=O)\C=C\c(ccc(c2OC)OC)c2)/c3cccc(C)c3C,0.0
40692,CO-ADD:0227387,3.88,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N\NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O)Br,0.0
40693,CO-ADD:0227114,3.88,N1(C(OC)=O)CC(N(OC)C1c2ccc(cc2Cl)Cl)=O,0.0
40694,CO-ADD:0229435,3.88,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c2cc(Br)ccc2O)c3ccccc3Br,0.0
40695,CO-ADD:0229106,3.88,[N+](=O)([O-])c1ccccc1N\N=C\c(cccn2)c2,0.0
40696,CO-ADD:0229863,3.88,N(C(C)(C)C#C)(C(C)C1)CC(C1(O)c2ccccc2)C,0.0
40697,CO-ADD:0229545,3.88,O1C(=O)c2c(cc(cc2)Oc(cccc3NC(=O)c4ccc(cc4)Oc(cc5)ccc5C(=O)Nc6cccc(c6)Oc(ccc(c7C8=O)C(O8)=O)c7)c3)C1=O,0.0
40698,CO-ADD:0234737,3.88,C(=O)(Oc1ccc(cc1\C=N\NC(COc2cc(C)ccc2C(C)C)=O)Br)c3ccco3,0.0
40699,CO-ADD:0233739,3.88,c1([nH]nc(C(CC2)CCN2C(=O)C[C@H](N)C(O)=O)c1)C(F)(F)F.Cl,0.0
40700,CO-ADD:0229833,3.88,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN(C)C,0.0
40701,CO-ADD:0233740,3.88,n1nc(oc1C(CC2)CCN2C(=O)c3ccc(c(F)c3)F)C,0.0
40702,CO-ADD:0233752,3.88,c1([nH]nc(C(CC2)CCN2C(CCCN)=O)c1)C(F)(F)F.Cl,0.0
40703,CO-ADD:0235996,3.88,C(C(CCCCC(OCC(=O)Nc1ccccc1[N+](=O)[O-])=O)=O)(=C(C)NC2=O)N2,0.0
40704,CO-ADD:0231467,3.88,n1c2c(oc1c3ccccc3)ccc(c2)\N=C\c(ccc(c4Cl)Cl)c4,0.0
40705,CO-ADD:0233418,3.88,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(cc3)ccc3F,0.0
40706,CO-ADD:0227642,3.88,c(NC(=O)c(cc1)ccc1[N+](=O)[O-])(sc(c2c3ccc(cc3)C)c(cc4)ccc4[N+](=O)[O-])n2,0.0
40707,CO-ADD:0236785,3.88,C1(C(=O)Nc(cc2)ccc2C(C)=O)=Cc(cc(Br)cc3Br)c3OC1=O,0.0
40708,CO-ADD:0231476,3.88,c1(oc(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c(ccc(c4Cl)Cl)c4,0.0
40709,CO-ADD:0232980,3.88,n1c(N\N=C\c2ccc(cc2OC)OC)c3c(nc1c(cc4)ccn4)cccc3,0.0
40710,CO-ADD:0233017,3.88,c1(c(O)ccc(cccc2)c12)\C=N\c(cccc3NC(=O)c(cc4)ccc4C(C)(C)C)c3,0.0
40711,CO-ADD:0236598,3.88,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c(cco4)c4,0.0
40712,CO-ADD:0236567,3.88,C1(C#N)(C#N)[C@H](c2cccc(F)c2F)[C@]([H])(C3)C(C(C#N)=C1N)=CCN3Cc4ccccc4,0.0
40713,CO-ADD:0231388,3.88,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)c4ccc(cc4Cl)Cl,0.0
40714,CO-ADD:0236661,3.88,S(=O)(=O)(c1ccc(cc1)C)N2CCSC2c3ccccc3,0.0
40715,CO-ADD:0225208,3.88,c12n(C=CN(Cc3ccccc3F)C1=O)c(nn2)SCC(NCCCOC)=O,0.0
40716,CO-ADD:0225227,3.88,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc(cc4)ccc4C(OCC)=O)C2=O,0.0
40717,CO-ADD:0225852,3.88,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)N(CC4)CCN4c5ccccc5F)=O,0.0
40718,CO-ADD:0225372,3.88,c12n(ccn(nc(c3ccccc3)c4)c14)c(nn2)SCC(=O)NCc(cc5)ccc5Cl,0.0
40719,CO-ADD:0226156,3.88,S(=O)(=O)(N(Cc(cc1F)cc(c1)F)c2cc(C)cc(C)c2)c3cccn(c(nn4)C)c34,0.0
40720,CO-ADD:0219824,3.88,N(c1sccn1)C(=O)c2ccccc2C,0.0
40721,CO-ADD:0219988,3.88,N1(c(cc2)ccc2C(C)=O)C(=O)c3c(cccc3)C1=O,0.0
40722,CO-ADD:0220187,3.88,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O,0.0
40723,CO-ADD:0222400,3.88,n1c2c(sc1c3ccc(cc3)\N=C\c(c(C)c(Br)c(c4Br)O)c4O)ccc(C)c2,0.0
40724,CO-ADD:0222632,3.88,N1(c2ccc(cc2)F)C(=O)C(C3C1=O)C(C=C4)C5C(C5)C34,0.0
40725,CO-ADD:0222425,3.88,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(=O)c(cccn3)c3,0.0
40726,CO-ADD:0219703,3.88,N(=C(/C)\c1ccc(cc1)OCc(cc2)ccc2Cl)/NC(N)=O,0.0
40727,CO-ADD:0222007,3.88,S(=O)(=O)(Nc(cc1)ccc1C(O)=O)c(ccc(c2C(=O)Nc(cc3)ccc3Cl)Cl)c2,0.0
40728,CO-ADD:0221937,3.88,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3[N+](=O)[O-],0.0
40729,CO-ADD:0226873,3.88,c12n(c3c(cccc3)nc1SCC(=O)Nc(cccc4C(C)=O)c4)c(nn2)C,0.0
40730,CO-ADD:0226810,3.87,N1(c(ccs2)c2C(N3CCC(C)C)=O)C3=NN(CCOc4ccccc4)C1=O,0.0
40731,CO-ADD:0225946,3.87,N12C(C=CC(c3ccccc3)=N1)=NN(Cc(ccc(c45)OCO4)c5)C2=O,0.0
40732,CO-ADD:0226845,3.87,C1(=N2)N(c3c(cccc3)N=C1Oc4cccc(C)c4C)C(N2CC(=O)NCc5ccco5)=O,0.0
40733,CO-ADD:0218276,3.87,c1(C(OCC)=O)[nH]c(c(C(C)=O)c1C)C,0.0
40734,CO-ADD:0218380,3.87,[N+](=O)([O-])\N=C(/N)\N\N=C\c1ccco1,0.0
40735,CO-ADD:0218427,3.87,C(=O)(N\N=C\c1cccc(CC=C)c1O)c2ccc(cc2)OC,0.0
40736,CO-ADD:0217867,3.87,c1(NC(=O)CN2C(=O)CCC2=O)sc(c(ccc3C(OC)=O)n1)c3,0.0
40737,CO-ADD:0232788,3.87,N1(CCc2ccccc2)C(=O)CC(N(CC3)CCN3c4ccccc4OC)C1=O,0.0
40738,CO-ADD:0232124,3.87,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\C(\Br)=C\c2ccccc2,0.0
40739,CO-ADD:0232052,3.87,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(cc3)ccc3C,0.0
40740,CO-ADD:0235895,3.87,C(=O)(c1ccc(cc1)Cl)Oc(cc(C)cc2OC(=O)c3ccc(cc3)Cl)c2,0.0
40741,CO-ADD:0235316,3.87,C(=O)(OC(C)(C)C)N1CCCC1C(=O)Nc(cc2)ccc2C,0.0
40742,CO-ADD:0232797,3.87,C(C(=O)N(CC1)CCO1)(C2(CC=C)O)=C(c3c(cccc3)CC4(C)C)N4C2=O,0.0
40743,CO-ADD:0229131,3.87,C(=O)(Nc(cccc1C(=O)N\N=C\c2c(cccc2Cl)Cl)c1)c3ccccc3F,0.0
40744,CO-ADD:0227460,3.87,C(c(cc1)ccc1\C=N\c2ccccn2)#Cc3ccccc3,0.0
40745,CO-ADD:0229280,3.87,N1(c2ccc(cc2)OC(C)=O)C(=O)CC(N(CC3)CCN3c4ccc(cc4)F)C1=O,0.0
40746,CO-ADD:0229169,3.87,S(=O)(=O)(c1ccc(cc1)C)NC(=O)Nc2ccc(cc2Cl)Cl,0.0
40747,CO-ADD:0229525,3.87,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3Cl,0.0
40748,CO-ADD:0229355,3.87,N(C(=O)\C(\S1)=C\c(ccc(c23)OCO2)c3)=C1N(CC4)CCN4C5=NC(\C(=C\c(ccc(c67)OCO6)c7)\S5)=O,0.0
40749,CO-ADD:0231506,3.87,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3Cl)c4ccc(cc4Cl)F,0.0
40750,CO-ADD:0236676,3.87,c1(NC(COc(cc2)ccc2C(OC)=O)=O)sc(c3n1)CCCC3,0.0
40751,CO-ADD:0232867,3.87,c1(c2ccc(cc2)NC(=O)c3ccc(cc3)F)sc4c(ccc(C)c4)n1,0.0
40752,CO-ADD:0232951,3.87,N1(c2ccc(cc2)Br)CC(CC1=O)C(NC)=O,0.0
40753,CO-ADD:0234849,3.87,C1(=O)Oc2c(ccc(c2)\N=C\c(cc3)ccc3C#Cc4ccccc4)N1,0.0
40754,CO-ADD:0234558,3.87,N(\C(=C/c1ccccc1F)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
40755,CO-ADD:0234185,3.87,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c34)OCO3)c4)c5cc(Cl)ccc5Cl,0.0
40756,CO-ADD:0236621,3.87,c1(s2)c(c(ns1)SCC#N)c(c2C#N)N,0.0
40757,CO-ADD:0236603,3.87,c1(C#N)c(SCc(cc2)ccc2OC)nsc1SCc3cccc(OC)c3,0.0
40758,CO-ADD:0236599,3.87,C1(C#N)=C(N)OC(=C(C(C)=O)C1c2c(Cl)ccc(c2)[N+](=O)[O-])C,0.0
40759,CO-ADD:0232846,3.87,n12c(cc(c3ccc(cc3)C)n1)nc(C)c(CC)c2O,0.0
40760,CO-ADD:0231438,3.87,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3Cl)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
40761,CO-ADD:0233026,3.87,N(=C\c1cccc(Cl)c1)/c2c(O)ccc(Cl)c2,0.0
40762,CO-ADD:0231407,3.87,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(ccc(c4Br)OC)c4,0.0
40763,CO-ADD:0236259,3.87,C1(Sc(ccc2C3N(c4ccc(cc4)C)CCN3c5ccc(cc5)C)o2)=Nc(cccc6)c6C(=O)N1c7ccccc7,0.0
40764,CO-ADD:0236744,3.87,[N+](=O)([O-])c(c(OCC)ccc1\C(=C(\Cl)/Cl)\c(ccc(c2[N+](=O)[O-])OCC)c2)c1,0.0
40765,CO-ADD:0232897,3.87,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc2ccco2)c3ccc(cc3Cl)Cl,0.0
40766,CO-ADD:0232860,3.87,c12c(ccc(OC)c1OC)C(OC2=O)OCC,0.0
40767,CO-ADD:0230939,3.87,S(c1ccccc1)(=O)(=O)N(CC(NCCc(ccc(c2OC)OC)c2)=O)c3ccc(cc3OC)OC,0.0
40768,CO-ADD:0225161,3.87,C1(=NN(C2=O)Cc3ccccc3C)N2C=CN(c4ccc(cc4)Br)C1=O,0.0
40769,CO-ADD:0225185,3.87,N1(C(C=CC(C(=O)NCc2ccccc2)=C1)=NN3CC(=O)N(CC4)CCN4c5ccc(cc5)F)C3=O,0.0
40770,CO-ADD:0226345,3.87,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc4ccccc4F,0.0
40771,CO-ADD:0226234,3.87,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(cc2)OCC)c(ccc(n3c4)nn4)c3,0.0
40772,CO-ADD:0222417,3.87,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)c(ccc(n2)C)c2)c3ccccc3Br,0.0
40773,CO-ADD:0222374,3.87,c1(N(CC2)CCO2)nc(N\N=C/c3cc(OCO4)c4cc3[N+](=O)[O-])nc(Nc(cc5)ccc5[N+](=O)[O-])n1,0.0
40774,CO-ADD:0220483,3.87,C(COc(ccc(c12)cccc1)c2)(=O)N\N=C\c3ccccc3Cl,0.0
40775,CO-ADD:0219641,3.87,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c2ccccc2OCCCCCCCC)c1,0.0
40776,CO-ADD:0222224,3.87,c(\C=N\NC(CNc(ccc(c12)cccc1)c2)=O)(cc(OCO3)c3c4)c4Br,0.0
40777,CO-ADD:0222818,3.87,C1(C(N)=O)=Cc2c(OC1=O)cccc2,0.0
40778,CO-ADD:0220390,3.87,c1(NCC(=O)N\N=C\c(cc2)ccc2Br)c(Br)cc(cc1Br)Br,0.0
40779,CO-ADD:0220430,3.87,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3ccc(cc3O)O,0.0
40780,CO-ADD:0226507,3.87,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)N(CC4)CCN4c5ccc(cc5)F,0.0
40781,CO-ADD:0226115,3.87,S(=O)(=O)(N(Cc1ccccc1)c(cc2)ccc2C(C)C)c3cccn(cnn4)c34,0.0
40782,CO-ADD:0225931,3.87,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)N(CC4)CCN4c5ccccc5)C2=O,0.0
40783,CO-ADD:0226851,3.87,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(ccc(c45)OCO4)c5)c(nn1)C(C)C,0.0
40784,CO-ADD:0226500,3.87,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCC(=O)c4c5c([nH]c4)cccc5,0.0
40786,CO-ADD:0217891,3.86,N1(CCCCC1)C(=O)COc(cc2)ccc2C=O,0.0
40787,CO-ADD:0218507,3.86,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)Nc2ccccc2C,0.0
40788,CO-ADD:0218707,3.86,C(=N\c(cc1)ccc1C(OCC)=O)(/c2c(N3)cccc2)\C3=O,0.0
40789,CO-ADD:0218323,3.86,N1(c(cc2)ccc2[N+](=O)[O-])C(c3ccccc3)CC(c4ccccc4)=N1,0.0
40790,CO-ADD:0218419,3.86,c1(\N=C\c(cc2)ccc2OC)[nH]c(c3n1)cccc3,0.0
40791,CO-ADD:0233539,3.86,N(=C(/C)\c1ccc(cc1)C)/NC(CNc2ccccc2C)=O,0.0
40792,CO-ADD:0234935,3.86,C(=N\NC(COc1c(OC)cc(cc1[N+](=O)[O-])[N+](=O)[O-])=O)(/c2c(N3)ccc(Br)c2)\C3=O,0.0
40793,CO-ADD:0229770,3.86,c1(c2ccco2)c(C#N)c(oc1c3ccoc3)\N=C\c4ccccc4O,0.0
40794,CO-ADD:0236103,3.86,n1c(c2ccc(cc2)Br)csc1Nc(ccc(c3Cl)C)c3.Br,0.0
40795,CO-ADD:0231848,3.86,C1(C(c2ccc(cc2)OC(=O)c3ccc(cc3)Br)C4=C(C)N(N(c5ccccc5)C4=O)C)=C(C)N(N(c6ccccc6)C1=O)C,0.0
40796,CO-ADD:0234397,3.86,C(NCCCN(C)C)(=O)Nc1cccc(cccc2)c12,0.0
40797,CO-ADD:0229846,3.86,C1(c2ccc(cc2)NC(C)=O)=Nc(c3C(=O)O1)cccc3,0.0
40798,CO-ADD:0229325,3.86,N1(c2ccc(c3c2)cccc3)CC(CC1=O)C(=O)OCC(=O)c4ccc(cc4)Br,0.0
40799,CO-ADD:0229875,3.86,C1(C#N)(C#N)[C@@H](c2ccc(cc2)F)[C@]([H])(C3)C(C(C#N)=C1N)=CCN3C,0.0
40800,CO-ADD:0229120,3.86,C(=O)(c1ccc(cc1)OCCCCCCCCCC)N\N=C(\C)/C,0.0
40801,CO-ADD:0227777,3.86,C(/c1c2cccc1)(\c3c(O2)cccc3)=N\c4ccc(cc4[N+](=O)[O-])Cl,0.0
40802,CO-ADD:0227730,3.86,c1(Sc2ccc(\C=N\c(ccc(c34)cccc3)c4)o2)sc(c(ccc5[N+](=O)[O-])n1)c5,0.0
40803,CO-ADD:0236605,3.86,c1(C#N)c(SCc2ccccc2F)nsc1SCc3ccccc3F,0.0
40804,CO-ADD:0236475,3.86,c1(NC(COC(=O)c(cc2)ccc2N3C(=O)CCC3=O)=O)sc(c4n1)cccc4,0.0
40805,CO-ADD:0233222,3.86,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c2c(O)ccc(cccc3)c23,0.0
40806,CO-ADD:0234292,3.86,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(cc2)cc(c2OC(c3ccccc3)=O)OCC,0.0
40807,CO-ADD:0233080,3.86,c1(c2)c(cc(OC)c2NC(=O)C\C(\C)=N\NC(COC)=O)c3c(cccc3)o1,0.0
40808,CO-ADD:0227199,3.86,n1c(c(cc2)ccc2c3[nH]c(c(c(cc4)ccc4[N+](=O)[O-])n3)c5ccccc5)[nH]c(c6ccccc6)c1c(cc7)ccc7[N+](=O)[O-],0.0
40809,CO-ADD:0231532,3.86,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(ccc(n2)C)c2)c3cccc(F)c3,0.0
40810,CO-ADD:0236595,3.86,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c(cco3)c3,0.0
40811,CO-ADD:0236510,3.86,c1(c2ccc(cc2)\N=C\c(cc3)ccc3C#N)sc4c(ccc(C)c4)n1,0.0
40812,CO-ADD:0226282,3.86,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(c(F)c2)F)c(ccc(n3c4)nn4)c3,0.0
40813,CO-ADD:0226290,3.86,S(=O)(=O)(N(Cc1cccc(OC)c1)c2cc(F)cc(F)c2)c(ccc3n4c(C)nn3)c4,0.0
40814,CO-ADD:0226159,3.86,S(=O)(=O)(N(c1ccc(cc1)CC)Cc2ccccc2C)c3cccn(c(nn4)C)c34,0.0
40815,CO-ADD:0225415,3.86,C1(=N2)N(C=Cn(nc(c3ccc(cc3)F)c4)c14)C(N2CC(=O)N5CCCc(cccc6)c56)=O,0.0
40816,CO-ADD:0226896,3.86,c12n(c3c(cccc3)nc1SCC(=O)Nc(ccc(c45)OCCO4)c5)c(nn2)CC,0.0
40817,CO-ADD:0220305,3.86,C(CNc1cccc(C)c1)(=O)N\N=C(/C)\C=C\c2ccccc2,0.0
40818,CO-ADD:0220276,3.86,n1c2c(oc1c(cc3)ccc3C(C)(C)C)ccc(c2)\N=C\c4cc(C)cc(I)c4O,0.0
40819,CO-ADD:0220701,3.86,c1(N(CC2)CCO2)nc(N\N=C\c(cccc3[N+](=O)[O-])c3OC)nc(Nc(cc4)ccc4C)n1,0.0
40820,CO-ADD:0218963,3.86,c1(ccccc1I)C(NCCOc2ccccc2)=O,0.0
40821,CO-ADD:0219755,3.86,c1(ccccc1O)C(=O)N\N=C\c(cc2)ccc2OC(C)C,0.0
40822,CO-ADD:0220539,3.86,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(CNc2ccccc2C)=O,0.0
40823,CO-ADD:0221212,3.86,c1(C[n+]2ccccc2)c(SC)sc(SC)c1C[n+]3ccccc3.[I-].[I-],0.0
40824,CO-ADD:0219993,3.86,[N+](=O)([O-])c1ccc(cc1)NC(COc(cc2)ccc2C)=O,0.0
40825,CO-ADD:0219749,3.86,C1(C(=O)Oc(cc2)ccc2[N+](=O)[O-])C3C1CCCC3,0.0
40826,CO-ADD:0219413,3.86,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc(ccc(c23)cccc2)c3,0.0
40827,CO-ADD:0225940,3.86,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)NC4CCCCC4)C2=O,0.0
40828,CO-ADD:0226852,3.86,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cc4)ccc4CCCC)c(nn1)C(C)C,0.0
40829,CO-ADD:0226863,3.85,N1(c(ccs2)c2C(N3CCC)=O)C3=NN(CC(=O)c4cccc(OC)c4)C1=O,0.0
40830,CO-ADD:0225999,3.85,C1(=N2)N(C=CN=C1N3CCCC3)C(N2CC(=O)Nc4cccc(OC)c4)=O,0.0
40831,CO-ADD:0217996,3.85,c1(oc(c2n1)ccc(c2)\N=C\c3c(O)ccc(cccc4)c34)c5c(O)cc(c6c5)cccc6,0.0
40832,CO-ADD:0218429,3.85,N(/c1ccc(cc1Cl)Cl)=C\c2ccccc2F,0.0
40833,CO-ADD:0218469,3.85,C(=O)(NCC(C)C)C(NCCc(ccc(c1OC)OC)c1)=O,0.0
40834,CO-ADD:0225492,3.85,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc(cc5)ccc5C)=O,0.0
40835,CO-ADD:0226700,3.85,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc4cccc(Cl)c4,0.0
40836,CO-ADD:0228979,3.85,N(=C\c1ccccc1F)/NC(CCC(=O)N\N=C\c2ccccc2F)=O,0.0
40837,CO-ADD:0234152,3.85,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3Cl)Cl)c3)c4cc(Cl)ccc4Cl,0.0
40838,CO-ADD:0231746,3.85,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c4cc(C)ccc4O,0.0
40839,CO-ADD:0236920,3.85,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
40840,CO-ADD:0236904,3.85,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2)ccc2\C=C(/C#N)\c3nn(c(N)c3C#N)CCO,0.0
40841,CO-ADD:0234493,3.85,[N+](=O)([O-])c1ccc(c2c1cccn2)N3CCCCC3,0.0
40842,CO-ADD:0231363,3.85,N1(c2ccc(cc2)Oc(cc3)ccc3N4C(=O)c(c5C4=O)ccc(c5)C(=O)Nc(cccc6C(C)=O)c6)C(=O)c(c7C1=O)ccc(c7)C(=O)Nc(cccc8C(C)=O)c8,0.0
40843,CO-ADD:0231812,3.85,c12c(ccc(c1)\N=C\c(cc3)ccc3C(OC)=O)OCCO2,0.0
40844,CO-ADD:0229121,3.85,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c3ccc(cc3OC)OC)c2,0.0
40845,CO-ADD:0227449,3.85,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2c(Br)cc(cc2Br)Cl)=O)O)c1,0.0
40846,CO-ADD:0229420,3.85,C1(C(F)(F)F)(C(F)(F)F)NC2C(Br)C1CC2OC(C)=O,0.0
40847,CO-ADD:0231800,3.85,C(=O)(c1ccc(cc1)Br)Oc2cc(ccc2OC(=O)c3ccc(cc3)Br)C=O,0.0
40848,CO-ADD:0236254,3.85,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])N2CCSC2c3ccccc3,0.0
40849,CO-ADD:0236381,3.85,N1(C(c2ccccc2)CC(c3ccccc3)=N1)c4scc(c5ccc(cc5)Cl)n4.Br,0.0
40850,CO-ADD:0236142,3.85,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
40851,CO-ADD:0234488,3.85,N(c1ccccc1[N+](=O)[O-])(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
40852,CO-ADD:0229555,3.85,c1(cc(Br)ccc1OC)\C=N\c(cc2)ccc2Cc(cc3)ccc3\N=C\c4cc(Br)ccc4OC,0.0
40853,CO-ADD:0236786,3.85,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3scc(c4ccc(cc4)C)n3,0.0
40854,CO-ADD:0236725,3.85,c12n(ncn1N)c(nn2)SCC(=O)Nc3cnccn3,0.0
40855,CO-ADD:0227932,3.85,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c(cc4)ccc4[N+](=O)[O-],0.0
40856,CO-ADD:0231525,3.85,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(COc3ccccc3C)=O,0.0
40857,CO-ADD:0226162,3.85,S(=O)(=O)(N(Cc(cc1)ccc1C=C)c2ccc(cc2)CC)c3cccn(c(nn4)C)c34,0.0
40858,CO-ADD:0225394,3.85,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)NCc5cccc(OC)c5OC,0.0
40859,CO-ADD:0226186,3.85,S(=O)(=O)(N(c1cccc(Cl)c1)Cc2cc(C)ccc2C)c3cccn(c(nn4)C)c34,0.0
40860,CO-ADD:0225418,3.85,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(cc5)ccc5C)=O,0.0
40861,CO-ADD:0220503,3.85,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2CC)=O)N3CCCCCC3)c1,0.0
40862,CO-ADD:0222113,3.85,N1(c2ccc(cc2)OCC)C(=O)c3c(c4C1=O)c(c(Cl)cc3)c(cc4)Cl,0.0
40863,CO-ADD:0222049,3.85,C1(NS(=O)(=O)c(cccc2[N+](=O)[O-])c2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
40864,CO-ADD:0219758,3.85,C(=C/c(cc1)ccc1OC)(/NC(c2ccccc2)=O)\C(=O)N\N=C(/C)\c3ccccc3,0.0
40865,CO-ADD:0220342,3.85,c1(cc(C)cc(I)c1O)\C=N\c(ccc(c2Cl)F)c2,0.0
40866,CO-ADD:0220319,3.85,C(CNc1ccccc1C)(=O)N\N=C\C=C\c2ccco2,0.0
40868,CO-ADD:0219347,3.85,c1(c2c([nH]c1)cccc2)C(=O)C(=O)N3CCCCC3,0.0
40869,CO-ADD:0221144,3.85,c1(N(C#N)C(C(OCC)=O)C(OCC)=O)nc(N(C)C)nc(N(C)C)n1,0.0
40870,CO-ADD:0221881,3.85,C(=O)(C(NCCCO)=O)Nc1ccccc1OCC,0.0
40871,CO-ADD:0220911,3.85,C(=O)(Nc(cc(Br)cc1NC(=O)N(c2ccccc2)c3ccccc3)c1)N(c4ccccc4)c5ccccc5,0.0
40872,CO-ADD:0219415,3.84,N(=C\c1ccccc1OCc2ccccc2Cl)/NC(CCCC)=O,0.0
40873,CO-ADD:0226871,3.84,c12n(cnn1)c3c(cccc3)nc2SCC(=O)Nc4ccc(cc4Br)C,0.0
40874,CO-ADD:0226120,3.84,S(=O)(=O)(N(Cc(cc1)ccc1OC)c(cc2)ccc2C(C)C)c3cccn(cnn4)c34,0.0
40875,CO-ADD:0226800,3.84,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(ccc(c4C)C)c4)c(nn1)C(C)C,0.0
40876,CO-ADD:0225349,3.84,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)N(CC)c5ccccc5,0.0
40877,CO-ADD:0226713,3.84,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(Cc5ccccc5Cl)C1=O,0.0
40878,CO-ADD:0226721,3.84,C1(=NN(C2=O)CC#N)N2c(c3C(=O)N1Cc4ccccc4)cccc3,0.0
40879,CO-ADD:0226729,3.84,N1(c(ccs2)c2C(N3CC(C)C)=O)C3=NN(Cc4cc(C)ccc4C)C1=O,0.0
40880,CO-ADD:0226737,3.84,N1(c(ccs2)c2C(N3CCc4ccccc4)=O)C3=NN(Cc(cc5)ccc5F)C1=O,0.0
40881,CO-ADD:0225697,3.84,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)Nc4ccc(cc4F)F)=O,0.0
40882,CO-ADD:0231656,3.84,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(ccc(c2OC)OC)c2,0.0
40884,CO-ADD:0234663,3.84,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccco2)=O)c3cccc(F)c3,0.0
40885,CO-ADD:0233493,3.84,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(=O)C(O)c2ccccc2)c3ccco3,0.0
40886,CO-ADD:0236278,3.84,N1(c2ccccc2)C(=O)NC(\C(=C/c(c(cccc3)c3n4C)c4)\C1=O)=O,0.0
40887,CO-ADD:0229472,3.84,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc3ccc(cn3)Br,0.0
40888,CO-ADD:0227728,3.84,S1(=O)(=O)c(cccc2)c2C(=O)N1Cc3ccc(cc3C)C,0.0
40889,CO-ADD:0229338,3.84,c1(c2c(s3)CCCC2)c3N=C(C)N(\N=C\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4O)C1=O,0.0
40890,CO-ADD:0229327,3.84,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)OCC(=O)c(cc3)ccc3c4ccccc4,0.0
40891,CO-ADD:0227969,3.84,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
40892,CO-ADD:0227961,3.84,c1(Br)c(O)c(\C=N\NC(COc2ccc(cc2OC)Br)=O)cc(Br)c1O,0.0
40893,CO-ADD:0229547,3.84,O1C(=O)c2c(cc(cc2)Oc3ccccc3NC(=O)c4ccc(cc4)Oc(cc5)ccc5C(=O)Nc6ccccc6Oc(ccc(c7C8=O)C(O8)=O)c7)C1=O,0.0
40894,CO-ADD:0234472,3.84,C(/C(=O)c1ccccc1O)=C(/N)\C(F)(F)F,0.0
40895,CO-ADD:0233445,3.84,[N+](=O)([O-])c(cc1\C=N\NC(COc(cc2)c(Br)cc2[N+](=O)[O-])=O)cc(c1OC(c3ccccc3)=O)Br,0.0
40896,CO-ADD:0237030,3.84,O[C@H]1[C@@H](O)[C@H](N2C=CC(N)=NC2=O)O[C@@H]1CN3C=C(N=N3)CNC([C@@H](O)C(C)(C)CO)=O,0.0
40897,CO-ADD:0237033,3.84,O[C@H]1[C@@H](O)[C@H](N2C=CC(N)=NC2=O)O[C@@H]1CN3C=C(COC(CCNC([C@@H](O)C(C)(C)CO)=O)=O)N=N3,0.0
40898,CO-ADD:0229823,3.84,N1(c(cc2)ccc2C(OCC)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)OCC(c4ccccc4)=O,0.0
40899,CO-ADD:0231023,3.84,C(N(CCC)CCC)(=S)Oc(cc1)ccc1C(=O)Nc(cc2)ccc2OCC,0.0
40900,CO-ADD:0233258,3.84,S(=O)(=O)(c1ccc(cc1)C)N(CC2)C(C(OC)=O)CN2S(=O)(=O)c3ccc(cc3)C,0.0
40901,CO-ADD:0231034,3.84,S(=O)(=O)(c1ccc(cc1)Cl)NC(CC(C)C)C(=O)N\N=C(/C)\C,0.0
40902,CO-ADD:0230977,3.84,C(C#N)(C1c2ccccc2)=C(\N=C\OCC)OC(CC(C)(C)CC3=O)=C13,0.0
40903,CO-ADD:0226202,3.84,S(=O)(=O)(N(c1ccccc1)Cc2cccc(OC)c2)c(ccc(n3c4)nn4)c3,0.0
40904,CO-ADD:0225739,3.84,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4c(F)ccc(F)c4)=O,0.0
40905,CO-ADD:0221626,3.84,C(=O)(c(cc1)ccc1C(C)(C)C)Nc(cc2)ccc2OC,0.0
40906,CO-ADD:0221715,3.84,N(=C\c1cccc(OC)c1)/NC(CCCC(=O)Nc2cccc(Br)c2)=O,0.0
40907,CO-ADD:0219337,3.84,C(=O)(N\N=C\c(ccc(c1OCC)OCCC)c1)C(=O)NCc(cc2)ccc2Cl,0.0
40908,CO-ADD:0220297,3.84,C(CNc1cccc(C)c1)(=O)N\N=C\c(ccc(c2Cl)OC)c2,0.0
40909,CO-ADD:0220085,3.84,[N+](=O)([O-])c1ccc(cc1)\C=N\c(cc2)ccc2Cc(cc3)ccc3\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
40910,CO-ADD:0219989,3.84,c1(C(OCC)=O)c(c2ccccc2)csc1NC(C)=O,0.0
40911,CO-ADD:0220069,3.84,S(N)(=O)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2OC,0.0
40912,CO-ADD:0219744,3.84,N1(c(cc2)ccc2C(=O)Nc(cccc3C(=O)\C=C\c4ccccc4)c3)C(=O)c(c5C1=O)ccc(c5)C(=O)Nc(cccc6C(=O)\C=C\c7ccccc7)c6,0.0
40913,CO-ADD:0222206,3.84,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)c4ccccc4I,0.0
40914,CO-ADD:0220035,3.84,c12c(c(ccc1)CC3)c3ccc2C(=O)\C=C\c(cc4)ccc4N(C)C,0.0
40915,CO-ADD:0221017,3.84,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)OCC2CCCO2)c1,0.0
40916,CO-ADD:0218969,3.84,C(OC)(NCCOc(cc1)ccc1C)=O,0.0
40917,CO-ADD:0226769,3.83,C1(=NN(C2=O)CC(=O)NC(C)CC)N2c3c(ccc(c3)C(=O)NC4CCCCC4)C(=O)N1CC(C)C,0.0
40918,CO-ADD:0225631,3.83,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4ccccc4C(OCC)=O)=O,0.0
40919,CO-ADD:0226711,3.83,c1(C2=O)n(c(nn1)C)c3c(cccc3)N2CC(=O)Nc(ccc(c4F)C)c4,0.0
40920,CO-ADD:0226716,3.83,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(Cc5c(cccc5Cl)F)C1=O,0.0
40921,CO-ADD:0234768,3.83,n12c(nc(C)c(CC)c1O)c(c(C)n2)c3ccccc3,0.0
40922,CO-ADD:0234753,3.83,c1(NC(CSc2ccccc2)=O)sc3c(CCCC3=O)c1C(OCC)=O,0.0
40923,CO-ADD:0236538,3.83,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])NC(C)=O)c1)\N=C(\N)/N,0.0
40924,CO-ADD:0234073,3.83,S(=O)(=O)(N1CCCCC1)OC2CC(C(Cl)C23)c(c34)cccc4,0.0
40925,CO-ADD:0236535,3.83,c1(sc2c(ccc(OC)c2)n1)NC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
40926,CO-ADD:0236921,3.83,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(\c(ccc(c3F)F)c3)/Cn4c(C)cc(C)n4)c5nonc5N,0.0
40927,CO-ADD:0229468,3.83,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc3cccc(cccc4)c34,0.0
40928,CO-ADD:0229333,3.83,S(NCCNC(=O)c1nonc1N)(c2ccccc2)(=O)=O,0.0
40929,CO-ADD:0227727,3.83,S1(=O)(=O)c(cccc2)c2C(=O)N1CC(=O)N(CC)CC,0.0
40930,CO-ADD:0227206,3.83,c1(c2ccc(c(c(ccc3)C(O4)=O)c23)C4=O)c(c5ccccc5)[nH]c(c(cccc6[N+](=O)[O-])c6)n1,0.0
40931,CO-ADD:0227578,3.83,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N/NC(COc3cccc(Cl)c3)=O,0.0
40932,CO-ADD:0237034,3.83,O[C@H]1[C@@H](O)[C@H](N2C=CC(N)=NC2=O)O[C@@H]1CN3C=C(CNC(CCNC([C@@H](O)C(C)(C)CO)=O)=O)N=N3,0.0
40933,CO-ADD:0234881,3.83,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2\C=N\NC(COc(cc3)ccc3Cl)=O)Br,0.0
40934,CO-ADD:0236493,3.83,C1(Sc2ccc(\C=N\NC(=O)c3ccccc3O)o2)=Nc(cccc4)c4C(=O)N1c5ccccc5,0.0
40935,CO-ADD:0233361,3.83,N1(c(ccc(c2C3=O)C(N3C(C)C)=O)c2)C(=O)c(c4C1=O)ccc(C(O)=O)c4,0.0
40936,CO-ADD:0237210,3.83,C([C@@H]1CN(CCN1)c2nccc(Oc3ccc(cc3)n4ccnc4)n2)c5ccccc5.Cl,0.0
40937,CO-ADD:0237213,3.83,Clc1ccc(CN2CCN(CC2)C3=NCCN3)cc1Cl,0.0
40938,CO-ADD:0237134,3.83,C[C@@]1(O)C[C@@H](C1)c2nc(c3ccc4ccc(nc4c3)c5ccccc5)c6c(N)nccn26,0.0
40939,CO-ADD:0237403,3.83,OC[C@H]1CN(C(=O)O1)c2cc(F)c(C3=CCN(Cc4ccccc4)CC3)c(F)c2,0.0
40940,CO-ADD:0237405,3.83,Fc1cc(cc(F)c1C2=CCN(Cc3ccccc3)CC2)N4C[C@H](COc5ccon5)OC4=O,0.0
40941,CO-ADD:0221440,3.83,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Nc3sc(c4c3C#N)CCCC4,0.0
40942,CO-ADD:0222301,3.83,c1(c2ccc(cc2)\N=C\c3c(O)cc(c(Cl)c3C)C)sc(c4n1)cccc4,0.0
40943,CO-ADD:0221297,3.83,[Zn](N=Cc(c12)cc(CC)s1)(N=Cc(c34)cc(CC)s3)(S4)S2,0.0
40944,CO-ADD:0222391,3.83,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
40945,CO-ADD:0221736,3.83,C(=O)(Nc1cc(Cl)cc(Cl)c1)Nc2c(Cl)cc(c(F)c2)F,0.0
40946,CO-ADD:0226318,3.83,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(=O)N(C)c4cccc(C)c4,0.0
40947,CO-ADD:0219193,3.83,c1(ccccc1Br)C(=O)N\N=C\c(cc(Cl)cc2Cl)c2OC,0.0
40948,CO-ADD:0220687,3.83,c1(N(CC2)CCO2)nc(N\N=C\c3cc(Br)ccc3OC)nc(Nc(cc4)ccc4C)n1,0.0
40949,CO-ADD:0220693,3.83,c1(N(CC2)CCO2)nc(N\N=C\c3cccc(O)c3)nc(Nc(cc4)ccc4C)n1,0.0
40950,CO-ADD:0220729,3.83,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(CNc(cc3)ccc3C)=O)Br,0.0
40951,CO-ADD:0221024,3.83,C(=O)(N(CC)CC)c1ccc(cc1)NC(=O)c2ccc(cc2)NC(CCCCCCCCC)=O,0.0
40952,CO-ADD:0219237,3.83,c1(cc(Cl)cc(Cl)c1OCC(=O)N\N=C\c2ccccc2Cl)[N+](=O)[O-],0.0
40953,CO-ADD:0222249,3.83,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(CNc2cccc(cccc3)c23)=O,0.0
40954,CO-ADD:0222741,3.83,c1(OCC(=O)N\N=C\c2cccc(C)c2O)c(Br)cc(cc1Br)OC,0.0
40955,CO-ADD:0219156,3.83,C(=O)(N\N=C\c1ccco1)C(=O)Nc2cccc(F)c2,0.0
40956,CO-ADD:0219148,3.83,c1(C)c(cccc1NC(CCC(=O)N\N=C\c2ccccc2)=O)Cl,0.0
40957,CO-ADD:0219716,3.83,C(=O)(N\N=C(/C)\CC(=O)Nc1ccc(cn1)C)C(=O)Nc2cccc(Cl)c2C,0.0
40958,CO-ADD:0219639,3.83,C(=O)(N\N=C\c(ccc(c1OCC)O)c1)C(=O)Nc2ccc(cc2C)Cl,0.0
40959,CO-ADD:0218673,3.83,C(c1ccccc1)(=O)N\N=C/c2ccccc2OC(=O)\C=C\c(ccc(c3OC)OC)c3,0.0
40960,CO-ADD:0218097,3.83,S(=O)(=O)(c(cccc1C(=O)Nc2ccc(cn2)Cl)c1)N3CCCCC3,0.0
40961,CO-ADD:0218121,3.83,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)Nc(cccc3C(F)(F)F)c3,0.0
40962,CO-ADD:0225684,3.83,C1(=N2)N(C=CN=C1Oc3cccc(C)c3C)C(N2CC(=O)Nc4c(OC)cc(c(Cl)c4)OC)=O,0.0
40963,CO-ADD:0225274,3.83,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc(cc3)ccc3CC)C2=O,0.0
40964,CO-ADD:0225314,3.83,N(C=Nc(c12)sc(CC(C)CC3)c13)(C4=O)C2=NN4CC(=O)Nc(ccc(c56)CCC5)c6,0.0
40965,CO-ADD:0226410,3.83,C1(=NN(C2=O)Cc(cc3)ccc3[N+](=O)[O-])N2C=CN(c4cccc(OC)c4)C1=O,0.0
40966,CO-ADD:0225490,3.83,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc(cc5)ccc5OC)=O,0.0
40967,CO-ADD:0234044,3.83,[P+](c1ccccc1)(c2ccccc2)(c3ccccc3)CC(=O)c4ccc(cc4)N.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
40968,CO-ADD:0227234,3.83,n1c2c(oc1c3ccc(cc3)F)ccc(c2)\N=C\c4cccc(F)c4O,0.0
40969,CO-ADD:0236104,3.83,n1c(c2ccccc2)csc1Nc(ccc(c3Cl)C)c3.Br,0.0
40970,CO-ADD:0236865,3.83,c1(c2ccc(cc2Cl)Cl)nnc(SCc(ccc(c3[N+](=O)[O-])OC)c3)o1,0.0
40971,CO-ADD:0236053,3.83,N(C)(c1ccc(cc1)\N=C\c(cc2)ccc2OC)C(C)=O,0.0
40972,CO-ADD:0234350,3.83,c1(C)n(c2ccccc2)c(c3n1)ccc(c3)C(O)=O,0.0
40973,CO-ADD:0227911,3.83,c(c1N)(sc(c2C#N)SC)c2nc(N)n1.Br,0.0
40974,CO-ADD:0231215,3.83,S(=O)(=O)(c1ccc(cc1)C)NC(C(C)C)C(=O)N\N=C(/C2)\CCC2,0.0
40975,CO-ADD:0229115,3.82,C(=O)(Nc(cccc1C(=O)N\N=C(/C)\c2ccc(cc2)Br)c1)c3ccccc3F,0.0
40976,CO-ADD:0229108,3.82,c1(cc(OC)cc(\C=N\NC(=O)c2ccc(cc2)OCc3ccccc3)c1O)[N+](=O)[O-],0.0
40977,CO-ADD:0229880,3.82,C(=C\Nc1ccccc1C(F)(F)F)(/C2=O)\C(=O)NC(=O)N2,0.0
40978,CO-ADD:0229299,3.82,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3O,0.0
40981,CO-ADD:0237104,3.82,CCCn1nnc(NC(=O)COc2ccc(cc2)C3CCCCC3)n1,0.0
40982,CO-ADD:0237433,3.82,Cc1cc(O)nc(n1)n2nc(C)cc2C,0.0
40983,CO-ADD:0237436,3.82,CC(C)(C)c1cnc(NC(=O)c2ccccc2O)s1,0.0
40984,CO-ADD:0237195,3.82,CC(=O)Nc1ccc(NC(=O)c2cc([nH]n2)c3cc(Cl)ccc3O)cc1,0.0
40985,CO-ADD:0237196,3.82,CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O.CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O.S([O-])(=O)(=O)[O-].S([O-])(=O)(=O)[O-].S([O-])(=O)(=O)[O-],0.0
40986,CO-ADD:0237042,3.82,COc1ccc(cc1)c2cc(NC(=O)c3ccc(F)cc3Cl)ccc2OC,0.0
40987,CO-ADD:0221480,3.82,C1(\N=C\c(cc2)ccc2N(CC)CC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
40988,CO-ADD:0221978,3.82,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c4cc(C)cc(Br)c4O,0.0
40989,CO-ADD:0220193,3.82,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(ccc(c34)oc(c5ccc(cc5)Cl)n3)c4)[N+](=O)[O-],0.0
40990,CO-ADD:0226300,3.82,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(cc2)Cl)c(ccc3n4c(C)nn3)c4,0.0
40991,CO-ADD:0225863,3.82,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)NCc(cc4)ccc4C)=O,0.0
40992,CO-ADD:0222663,3.82,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2c(Br)cc(cc2Br)\C=N\c(cc3)ccc3Br)c1,0.0
40993,CO-ADD:0222524,3.82,c1(\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
40994,CO-ADD:0222669,3.82,C(=O)(Nc(cc1)ccc1Nc2ccccc2)C\C(\C)=N\NC(Cc3ccccc3)=O,0.0
40995,CO-ADD:0222168,3.82,n1c(ccc(c2)\N=C/c(cc(Cl)cc3I)c3O)c2oc1c4ccc(cc4)Cl,0.0
40996,CO-ADD:0221969,3.82,c1(c(O)c(cc(c1)[N+](=O)[O-])\C=N\c2c(C)cccc2O)[N+](=O)[O-],0.0
40997,CO-ADD:0222724,3.82,C12(\C=N\c(cccc3C(O)=O)c3)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)Br)=O)c(cccc7)c27,0.0
40998,CO-ADD:0220476,3.82,c1(OCC(=O)N\N=C\c2ccccc2Cl)c(Cl)cc(cc1Cl)Cl,0.0
40999,CO-ADD:0219161,3.82,c1(Cl)cc(Cl)ccc1\C=N\NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
41000,CO-ADD:0219753,3.82,C(=O)(c1ccc(cc1)Cl)Oc2ccccc2\C=N\NC(=O)c3ccc(cc3)NC(CC)=O,0.0
41001,CO-ADD:0219829,3.82,C(COc1ccccc1)(=O)Nc(cc2)ccc2C(C)=O,0.0
41002,CO-ADD:0222605,3.82,C(=O)(N\N=C\c1ccc(cc1OC)OC)c2ccc(cc2)NC(C)=O,0.0
41003,CO-ADD:0222507,3.82,c1(Br)oc(cc1Br)\C=N\NC(CNC(=O)c2ccccc2Br)=O,0.0
41004,CO-ADD:0222495,3.82,c1(c2cccc(cccc3)c23)oc4c(ccc(c4)\N=C\c5cccc(I)c5O)n1,0.0
41005,CO-ADD:0220249,3.82,C(=N/NC(CNc(cc1)ccc1C)=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
41006,CO-ADD:0218705,3.82,C(=O)(N\N=C\c1ccccc1Cl)C(=O)Nc2ccccc2C,0.0
41007,CO-ADD:0218175,3.82,C(=O)(Nc1cccc(C)c1)\C=C\c(ccc(c2OC)OC)c2,0.0
41008,CO-ADD:0218183,3.82,N1(CC(CCC(OC)=O)=O)C(=O)c2c(cccc2)C1=O,0.0
41009,CO-ADD:0218623,3.82,C(=O)(Nc(cc1)ccc1Br)\C=C\c(cc2)ccc2Br,0.0
41010,CO-ADD:0218124,3.82,o1c(N)nnc1c2cccc(C)c2,0.0
41011,CO-ADD:0218533,3.82,N(=C\c(ccc(c1OC)OC)c1)/NC(CCC(=O)Nc(cc2)ccc2CC)=O,0.0
41012,CO-ADD:0225530,3.82,n(c1c(cccc1)nc2SCc3c(C)oc(c4ccccc4)n3)(c(C(C)C)nn5)c25,0.0
41013,CO-ADD:0225626,3.82,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccc(cc4Br)C)=O,0.0
41014,CO-ADD:0225650,3.82,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc4ccc(c(OC)c4)OC)=O,0.0
41015,CO-ADD:0226733,3.82,N1(c(ccs2)c2C(N3CCc4ccccc4)=O)C3=NN(Cc5cccc(Cl)c5)C1=O,0.0
41016,CO-ADD:0234400,3.82,N1(c(cccc2C(F)(F)F)c2)C=Nc(c3C1=O)cccc3,0.0
41017,CO-ADD:0234188,3.82,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)ccc4OC(=O)c5cccc(Br)c5,0.0
41018,CO-ADD:0233347,3.82,c12c(CCNC1CC(c3ccccc3)c4ccccc4)cc(c(OC)c2)OC.Cl,0.0
41019,CO-ADD:0229751,3.82,N1(C(=O)c(c2C1=O)ccc(C(=O)c(cc3)ccc3C(O)=O)c2)C4=CNC(NC4=O)=O,0.0
41020,CO-ADD:0236102,3.82,N1(C(c(cccc2[N+](=O)[O-])c2)CC(c3cc(C)ccc3C)=N1)c4scc(c5ccc(cc5)F)n4.Br,0.0
41021,CO-ADD:0229278,3.82,N1(c2cccc(c2)C(=O)Nc3ccccn3)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5ccccn5,0.0
41022,CO-ADD:0229549,3.82,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)C(=O)NNC(=O)c(cccc4C(=O)NNC(=O)c(ccc(c5C6=O)C(N6c7ccccc7)=O)c5)c4,0.0
41023,CO-ADD:0228017,3.81,c1(O)c(OCC)cc(cc1Br)\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O,0.0
41024,CO-ADD:0229499,3.81,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3N\C=C(\C(C)=NN4c5ccc(cc5)C)/C4=O)Cl)c3,0.0
41025,CO-ADD:0229475,3.81,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3C,0.0
41026,CO-ADD:0231345,3.81,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(cc2)ccc2OCC=C,0.0
41027,CO-ADD:0234733,3.81,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5ccco5)OC,0.0
41028,CO-ADD:0234718,3.81,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(CNC(=O)c2cccc(F)c2)=O)c1,0.0
41029,CO-ADD:0231750,3.81,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c4c5c(cccc5)cc(cccc6)c46,0.0
41030,CO-ADD:0234973,3.81,c1(oc(c2n1)ccc(c2)NC(=O)c3ccc(cc3Cl)Cl)c4cccc(Cl)c4Cl,0.0
41031,CO-ADD:0229839,3.81,N1(c2ccc(cc2C)I)C(=O)c(c3C1=O)ccc(c3)C(=O)OCC(c4ccccc4)=O,0.0
41032,CO-ADD:0233737,3.81,c1([nH]nc(C(CC2)CCN2C(=O)CN(C)C)c1)C(F)(F)F,0.0
41033,CO-ADD:0237043,3.81,O=C(NCc1cocc1)N2CCN(Cc3ccc4OCOc4c3)CC2,0.0
41034,CO-ADD:0237380,3.81,CC(C)(C)n1nc(Cc2cccc3ccccc23)c4c(N)ncnc14,0.0
41035,CO-ADD:0237074,3.81,CCC(Sc1oc2ccccc2n1)C(=O)Nc3nccs3,0.0
41036,CO-ADD:0237218,3.81,CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3ccc4c(Nc5ncc(Cl)cn5)ccnc4c3,0.0
41037,CO-ADD:0237142,3.81,CNC(=O)c1cc(cs1)S(=O)(=O)N2CCN(CC2)c3ccccn3,0.0
41038,CO-ADD:0237081,3.81,CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N3CCSCC3)c(F)c2,0.0
41039,CO-ADD:0225911,3.81,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc(cc4)ccc4C(C)C)C2=O,0.0
41040,CO-ADD:0221507,3.81,[N+](=O)([O-])c1ccc(c(Cl)c1)NC(=O)c(cccc2C(=O)Nc(cc3)c(Cl)cc3[N+](=O)[O-])c2,0.0
41041,CO-ADD:0221501,3.81,C(=C/c(cc1)ccc1[N+](=O)[O-])(/C(C)=NN2c3ccccc3)\C2=O,0.0
41042,CO-ADD:0218982,3.81,c12c(ccc(OC)c1C)\C(\CCC2)=N\OC(CCCCCCCCCCCCCCCCC)=O,0.0
41043,CO-ADD:0218968,3.81,C(CCCCCCCCCCCCCCCCC)(NCCOc1ccccc1Cl)=O,0.0
41044,CO-ADD:0219026,3.81,c1(c(C)cc(cc1C)C)\C=N\c(cc2)ccc2Oc(cc3)ccc3C(C)(C)c4ccc(cc4)Oc(cc5)ccc5\N=C\c6c(C)cc(cc6C)C,0.0
41045,CO-ADD:0220800,3.81,C(OCCCCCCC)(=O)c1ccc(cc1)NC(CCCCCCCCC)=O,0.0
41046,CO-ADD:0222058,3.81,c12c(CCCC1[N+](=O)[O-])non2,0.0
41047,CO-ADD:0220146,3.81,N(=C(/C)\c(cc1)ccc1C(C)C)/NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
41048,CO-ADD:0220105,3.81,c1c(cccc1Oc(cc2)ccc2N)Oc(cc3)ccc3N,0.0
41049,CO-ADD:0222588,3.81,C(=O)(CCCl)NCc(cc1)ccc1OC(C)C,0.0
41050,CO-ADD:0222843,3.81,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2c(Br)cc(cc2Br)\C=N/NC(c3ccccc3)=O)c1,0.0
41051,CO-ADD:0219594,3.81,N(C(CCC(=O)N\N=C\c1ccc(cc1Cl)Cl)=O)c2ccc(cc2C)I,0.0
41052,CO-ADD:0218891,3.81,c1(\C=N\NC(c2ccccc2)=O)c3c(cccc3)ccc1OC(=O)c4ccc(cc4)Cl,0.0
41053,CO-ADD:0219737,3.81,C(c(cccc1NC(=O)\C=C\c2ccccc2)c1)#C,0.0
41054,CO-ADD:0220966,3.81,n(Cc1ccccc1)(c2c(c3\C=N\NC(=O)c4ccccc4OC)cccc2)c3C,0.0
41055,CO-ADD:0221025,3.81,C(=O)(Nc1c(C)cccc1C)C(C(F)(F)F)C(F)(F)F,0.0
41056,CO-ADD:0221132,3.81,C1(=S)N(c2ccc(cc2)Br)C3(\C(=N\c(cccc4C(F)(F)F)c4)\N1)CCCCC3,0.0
41057,CO-ADD:0222773,3.81,C(=O)(Oc1ccc(cc1\C=N\NC(CNC(=O)c2ccccc2Br)=O)Br)c3ccco3,0.0
41058,CO-ADD:0222275,3.81,C(=O)(NCC(=O)N\N=C\c(ccc(c1O)O)c1)c2ccc(c(OC)c2)OC,0.0
41059,CO-ADD:0226051,3.81,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4C)C(N2CC(=O)Nc5ccccc5OCC)=O,0.0
41060,CO-ADD:0226092,3.81,S(=O)(=O)(N(c1ccc(cc1)C)Cc(cc2F)cc(c2)F)c3cccn(c(nn4)C)c34,0.0
41061,CO-ADD:0218162,3.81,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3CCCC)=N1,0.0
41062,CO-ADD:0218058,3.81,c1(c2ccccc2)nn[nH]c1\C=N\NC(=O)c3ccccc3CO,0.0
41063,CO-ADD:0218601,3.81,S(CCCCCC)(=O)(=O)Nc(cc1)ccc1C(OCC)=O,0.0
41064,CO-ADD:0218073,3.81,s1c(N)nnc1CC(=O)N\N=C\c(cc2)ccc2O,0.0
41065,CO-ADD:0218221,3.81,N(=C\c1ccccc1)/c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c4ccccc4,0.0
41066,CO-ADD:0218645,3.81,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c(cc3)ccc3[N+](=O)[O-])c1,0.0
41067,CO-ADD:0225685,3.81,C1(=N2)N(C=CN=C1Oc3cccc(C)c3C)C(N2CC(=O)N(CC4)CCN4c5ccc(cc5)OC)=O,0.0
41068,CO-ADD:0225701,3.81,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)Nc4ccccc4C(F)(F)F)=O,0.0
41069,CO-ADD:0226463,3.81,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCc(cc4)ccc4F,0.0
41070,CO-ADD:0225340,3.81,c12n(ccn(nc(c3ccc(cc3)F)c4)c14)c(nn2)SCC(=O)NCc(cc5)ccc5C,0.0
41071,CO-ADD:0226468,3.81,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4OC,0.0
41072,CO-ADD:0236407,3.81,C(=O)(c1ccc(cc1)C)NCC(O)=O,0.0
41073,CO-ADD:0236294,3.8,S(=O)(=O)(c1ccc(cc1)C)N(CC(=O)N\N=C\c(cc2)ccc2OCc3cccc(cccc4)c34)c5ccc(cc5Cl)Cl,0.0
41074,CO-ADD:0234895,3.8,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccco2)=O)Br)OC(c3ccccc3)=O,0.0
41075,CO-ADD:0233635,3.8,c1(O)c(OCC)cc(cc1I)\C=N\NC(COc2c(C)cccc2C)=O,0.0
41076,CO-ADD:0233629,3.8,C12(CC(CC3C1)CC(C3)C2)C(=O)Nc(cc4)ccc4C#N,0.0
41077,CO-ADD:0229796,3.8,c1(C(OCC)=O)sc2c(ccc(CO)c2Cl)c1NC(C)=O,0.0
41078,CO-ADD:0229522,3.8,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3N\C=C(/C(C)=NN4c5cccc(Cl)c5)\C4=O)Cl)c3,0.0
41079,CO-ADD:0229173,3.8,N1(C(=O)c(cccc2[N+](=O)[O-])c2)N=C(CC1(O)c3ccc(cc3)Cl)CC,0.0
41080,CO-ADD:0229471,3.8,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3cccc(Br)c3,0.0
41081,CO-ADD:0231792,3.8,c1(oc(c2n1)ccc(c2)\N=C\c(c(C)c(Br)c(c3Br)O)c3O)c4cccc(Cl)c4Cl,0.0
41082,CO-ADD:0231280,3.8,N(c1cccc(c1)C#C)(C(=O)c2c3c(Br)c(c(Br)c2Br)Br)C3=O,0.0
41083,CO-ADD:0231246,3.8,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc(cc3)ccc3C(C)C,0.0
41084,CO-ADD:0233508,3.8,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(cccc3)c23)=O)N(CC(C)C)CC(C)C)c1,0.0
41085,CO-ADD:0234353,3.8,N1C(=O)CCN(CCc(cc2)cc(c2OC(C)C)C)C1=O,0.0
41086,CO-ADD:0236433,3.8,n1c(SCC(c2ccccc2)=O)[nH]nc1c3ccccc3,0.0
41087,CO-ADD:0236511,3.8,n1(CC)c2c(c(cc(cc3)\C=N\c(cc4)ccc4Br)c13)cccc2,0.0
41088,CO-ADD:0233459,3.8,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cccc2OC(=O)c3ccccc3Br)c2,0.0
41089,CO-ADD:0236665,3.8,n1c(c(cc2)ccc2[N+](=O)[O-])csc1Nc(cc3)ccc3C,0.0
41090,CO-ADD:0237116,3.8,O=C(Nc1nc(cs1)c2ccccn2)c3cncn3c4ccccc4,0.0
41091,CO-ADD:0230975,3.8,c1(nnc(SCC)s1)NC(=O)C(F)(F)F,0.0
41092,CO-ADD:0236167,3.8,c1(Nc2ccccc2)c(CC=C)c(C)nc(SC)n1,0.0
41093,CO-ADD:0230963,3.8,c1(Nc(cc2)ccc2Cl)nc(Cl)nc(NCCN(CC3)CCO3)n1,0.0
41094,CO-ADD:0237418,3.8,NCC(c1cccs1)S(=O)(=O)c2ccccc2.Cl,0.0
41095,CO-ADD:0237423,3.8,CN(CCc1ccccc1)c2nc(nc(C)c2Cl)c3ccccn3,0.0
41096,CO-ADD:0225805,3.8,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4c(C)cc(cc4C)C)=O,0.0
41097,CO-ADD:0225405,3.8,C1(=N2)N(C=Cn(nc(c3ccccc3)c4)c14)C(N2CC(=O)N5CCCc(cccc6)c56)=O,0.0
41098,CO-ADD:0225774,3.8,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4ccccc4CC)=O,0.0
41099,CO-ADD:0225782,3.8,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4cc(OC)cc(OC)c4)=O,0.0
41100,CO-ADD:0219388,3.8,N(=C(/C)\c1ccc(cc1)OCc(cc2)ccc2Cl)/NC(=O)c3ccc(cc3)OC,0.0
41101,CO-ADD:0222776,3.8,c1(\C=N\NC(COc2c(C)cc(cc2C)Br)=O)c3c(cccc3)cc(cccc4)c14,0.0
41103,CO-ADD:0221098,3.79,n1(c(S)nn2)c2c(nc(non3)c13)Nc(cc4)ccc4Cl,0.0
41104,CO-ADD:0222299,3.79,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Cl)cc4Cl)c4O)cc(C)c(C)c2,0.0
41105,CO-ADD:0221161,3.79,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(=O)Nc3cccc(OC)c3,0.0
41106,CO-ADD:0220578,3.79,c(\C=N\NC(CNc1ccccc1C)=O)(c(C)c(Br)c(c2C)O)c2O,0.0
41107,CO-ADD:0220161,3.79,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(cccc3c4oc(c5n4)cc(c(C)c5)C)c3)[N+](=O)[O-],0.0
41108,CO-ADD:0219196,3.79,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c(cc2)ccc2NC(=O)c3ccccc3Br,0.0
41109,CO-ADD:0221861,3.79,C(=O)(NCc1ccccc1F)c2ccccc2c3ccccc3,0.0
41110,CO-ADD:0219451,3.79,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)C(=O)N2CCCC2,0.0
41111,CO-ADD:0222754,3.79,c1(\C=N\NC(COc2ccc(cc2Br)OC)=O)c(cccc1Cl)Cl,0.0
41112,CO-ADD:0222509,3.79,n1c(ccc(c2)\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])c2oc1c5ccc(cc5)OC,0.0
41113,CO-ADD:0222424,3.79,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)C(O)c2ccccc2)c3cccc(Br)c3,0.0
41114,CO-ADD:0220027,3.79,n1c(c2ccccc2)cc(cc1c3ccccc3)c4ccc(cc4)OC,0.0
41115,CO-ADD:0220049,3.79,N1=C(N(CC2)CCO2)CC(=O)N1c(cc3)ccc3[N+](=O)[O-],0.0
41116,CO-ADD:0220334,3.79,c(\C=N\NC(CNc1cccc(C)c1)=O)(cc(OCO2)c2c3)c3Cl,0.0
41117,CO-ADD:0226598,3.79,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc4ccccc4C(F)(F)F,0.0
41118,CO-ADD:0226574,3.79,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC#N,0.0
41119,CO-ADD:0218142,3.79,[N+](=O)([O-])c1cccc(c1)NC(=O)c2occc2C,0.0
41120,CO-ADD:0218206,3.79,C1(c2ccc(cc2)Br)N(c3ccccc3)CCN1c4ccccc4,0.0
41121,CO-ADD:0218598,3.79,C(=O)(c1ccccc1C)Nc2ccccc2C(=O)N\N=C\c(cc3)ccc3F,0.0
41122,CO-ADD:0218187,3.79,C(=O)(Nc(cc1)ccc1C(C)=O)c2ccccc2F,0.0
41123,CO-ADD:0218595,3.79,C(=O)(c1ccccc1C)Nc2ccccc2C(=O)N\N=C\c3cccc(cccc4)c34,0.0
41124,CO-ADD:0218643,3.79,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c(cccc3[N+](=O)[O-])c3)c1,0.0
41125,CO-ADD:0226619,3.79,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCC(=O)Nc4cccc(Cl)c4,0.0
41126,CO-ADD:0226627,3.79,C1(=NN(C2=O)Cc3cccc(F)c3)N2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
41127,CO-ADD:0226608,3.79,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc4c(F)ccc(F)c4,0.0
41128,CO-ADD:0225344,3.79,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc5cc(C)ccc5C,0.0
41129,CO-ADD:0233730,3.79,c1([nH]nc(C(CC2)CCN2C(=O)CC[C@H](N)C(N)=O)c1)C(F)(F)F.Cl,0.0
41130,CO-ADD:0229025,3.79,c1(scc(c2ccccc2)n1)NC(=O)\C=C\c3ccccc3,0.0
41131,CO-ADD:0229049,3.79,c1(nn(cn1)CC(=O)N\N=C\c(ccc(c2OC)OC)c2)[N+](=O)[O-],0.0
41132,CO-ADD:0236340,3.79,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(N)=O)C2c3ccccc3Cl,0.0
41133,CO-ADD:0233362,3.79,c(C(=O)Nc(cc(OC)cc1[N+](=O)[O-])c1)(cn(n2)c3ccccc3)c2c4ccccc4,0.0
41134,CO-ADD:0233354,3.78,C(C)(c1ccccc1)(c2ccc(cc2)Oc(cc3)ccc3NC(C)=O)c4ccc(cc4)Oc(cc5)ccc5NC(C)=O,0.0
41135,CO-ADD:0227534,3.78,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(cc(Br)c(c4Br)O)c4O,0.0
41136,CO-ADD:0227721,3.78,c1(c2c(s3)CCCC2)c3NC(c4ccc(cc4)OC(c5ccccc5)=O)NC1=O,0.0
41137,CO-ADD:0227285,3.78,C(CNc1cccc(cccc2)c12)(=O)N\N=C\C=C\c3ccco3,0.0
41138,CO-ADD:0231794,3.78,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2ccccc2C)=O)N(CC(C)C)CC(C)C)c1,0.0
41139,CO-ADD:0229603,3.78,C1(C(OCC)=O)=C(C)NC(NC1c(ccc2c3ccccc3[N+](=O)[O-])o2)=O,0.0
41140,CO-ADD:0227522,3.78,c1(ccc(\C=N/NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)o1)c4ccc(cc4Cl)Cl,0.0
41141,CO-ADD:0233448,3.78,[N+](=O)([O-])c(cc1\C=N\NC(COc2cc(C)ccc2C(C)C)=O)cc(c1OC(=O)c3ccc(cc3)Br)Br,0.0
41142,CO-ADD:0234333,3.78,C1(C(OCC)=O)=C(C)NC(=S)NC1c(cccn2)c2,0.0
41143,CO-ADD:0233320,3.78,C(CCC(O)=O)(=O)c1ccc(cc1)OCC,0.0
41144,CO-ADD:0229760,3.78,c1(c2ccccc2)nc(c(cc3)ccc3NC(=O)C(F)(F)F)cc(c(cc4)ccc4NC(=O)C(F)(F)F)n1,0.0
41145,CO-ADD:0233619,3.78,c1(ccccc1NC(C)=O)C(OC)=O,0.0
41146,CO-ADD:0234979,3.78,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c(cc4)ccc4Br,0.0
41147,CO-ADD:0237428,3.78,NCCC(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](OC2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)C1OC3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O.S(O)(O)(=O)=O.S(O)(O)(=O)=O,0.0
41148,CO-ADD:0236746,3.78,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc2)ccc2Br)c3c(OC)ccc(OC)c3,0.0
41149,CO-ADD:0232903,3.78,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)Nc3cccc(C)c3,0.0
41150,CO-ADD:0233074,3.78,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c5ccc(c(O)c5)O)O1,0.0
41151,CO-ADD:0232880,3.78,N1(c2sccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4OC,0.0
41152,CO-ADD:0233091,3.78,n1c(N)c(C#N)cc(C#N)c1SCc(cc2)ccc2[N+](=O)[O-],0.0
41153,CO-ADD:0226136,3.78,S(=O)(=O)(N(c1ccc(cc1)CC)Cc2ccccc2F)c3cccn(c(nn4)CC)c34,0.0
41154,CO-ADD:0225777,3.78,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4cccc(C)c4C)=O,0.0
41155,CO-ADD:0226961,3.78,N1(c(ccs2)c2C(N3Cc4ccco4)=O)C3=NN(CC(=O)Nc(cc5)ccc5CC)C1=O,0.0
41156,CO-ADD:0225809,3.78,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc(cc4)ccc4OCC)=O,0.0
41157,CO-ADD:0221067,3.78,n(Cc1ccccc1)(c2c(c3\C=N\c(ccc(c4C)C)c4)cccc2)c3C,0.0
41158,CO-ADD:0221543,3.78,N1(CC)C(=O)c(c2)c(c(c3)C1=O)c(cc2[N+](=O)[O-])cc3[N+](=O)[O-],0.0
41159,CO-ADD:0221225,3.78,S(=O)(=O)(Nc1ccc(cc1C)C)c2ccccc2[N+](=O)[O-],0.0
41160,CO-ADD:0221262,3.78,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc(cc3)ccc3Br,0.0
41161,CO-ADD:0221814,3.78,S(CCCCCCCCCC)(CCCOC(CCCCCCCCCCCCCCC)=O)(=O)=O,0.0
41162,CO-ADD:0221854,3.78,C(=O)(C(NCCCCCCCCCCCC)=O)Nc1cccc(Cl)c1C,0.0
41163,CO-ADD:0221946,3.78,N(c1ccc(cn1)Cl)C(COc(cc2)ccc2CC)=O,0.0
41164,CO-ADD:0220386,3.78,[N+](=O)([O-])c1cccc(c1)NC(=O)c2ccc(cc2)NC(CCCCCCCCC)=O,0.0
41165,CO-ADD:0222093,3.78,C(Cc1cccc(Cl)c1)(=O)Nc(cc2)ccc2Cl,0.0
41166,CO-ADD:0222109,3.78,C(Cc1cccc(Cl)c1)(=O)Nc2ccccc2,0.0
41167,CO-ADD:0222557,3.78,c1(ccccc1c2ccccc2)C(NCCOc3ccccc3OC)=O,0.0
41168,CO-ADD:0222555,3.78,N(=C\c1cc(C)cc(Br)c1O)/c2c(C)cccc2O,0.0
41169,CO-ADD:0220298,3.78,C(=N/NC(CNc1cccc(C)c1)=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
41170,CO-ADD:0220944,3.78,c1(N(CC2)CCN2CCNc(nc(N\N=C/c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3)nc4Nc(cccc5C(F)(F)F)c5)n4)nc(N\N=C/c(c(Cl)cc(c6[N+](=O)[O-])Cl)c6)nc(Nc(cccc7C(F)(F)F)c7)n1,0.0
41171,CO-ADD:0219742,3.78,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2C,0.0
41172,CO-ADD:0220890,3.78,C(C(=O)N(CC1)CCO1)(C2c3ccccc3)C(C2C(=O)N\N=C(/C)\c4ccc(cc4)Br)c5ccccc5,0.0
41173,CO-ADD:0222399,3.78,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\NC(=O)CC(=O)N\N=C\c(ccc(c3[N+](=O)[O-])OC(=O)c4cccc(C)c4)c3,0.0
41174,CO-ADD:0222200,3.78,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)c4cccc(F)c4,0.0
41175,CO-ADD:0226870,3.77,C1(=N2)N(c3c(cccc3)N=C1N(CC4)CCS4)C(N2CC(=O)NCc5ccccc5)=O,0.0
41176,CO-ADD:0218241,3.77,[N+](=O)([O-])c1ccccc1\C=N\NC(COc(cc2)ccc2OC)=O,0.0
41177,CO-ADD:0218719,3.77,N(=C\c1ccccc1Cl)/NC(CCC(=O)Nc(cc2)ccc2OC)=O,0.0
41178,CO-ADD:0218283,3.77,C(=C\N(C)C)(/C(=O)C1)\C(=O)CC1(C)C,0.0
41180,CO-ADD:0218236,3.77,C(/c1c(N2)cccc1)(=N/c3ccccc3C)\C2=O,0.0
41181,CO-ADD:0226488,3.77,c1(nnc2SC(CC)C(=O)Nc3ccccc3C)n2C=CN(c4cccc(OC)c4)C1=O,0.0
41182,CO-ADD:0226987,3.77,N1(c(ccs2)c2C(N3Cc4ccco4)=O)C3=NN(CC(NCCCC)=O)C1=O,0.0
41183,CO-ADD:0226451,3.77,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4c5c([nH]c4C)cccc5,0.0
41184,CO-ADD:0226979,3.77,N(C1=O)(c(ccs2)c2C(N3CCCC)=O)C3=NN1CC(=O)N(C)c4ccccc4,0.0
41185,CO-ADD:0226771,3.77,N1(c(ccs2)c2C(N3C)=O)C3=NN(CCOc4ccccc4)C1=O,0.0
41186,CO-ADD:0236073,3.77,c1(ccc(\C=N\Nc(cc2)ccc2[N+](=O)[O-])s1)[N+](=O)[O-],0.0
41187,CO-ADD:0231842,3.77,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c4cc(C)cc(Br)c4O,0.0
41188,CO-ADD:0231590,3.77,N1(c2cccc(Br)c2)C(=O)C(C(C34)C1=O)C(c(c35)cccc5)C=C4Cl,0.0
41189,CO-ADD:0236331,3.77,c1(C#N)c(SCC(=O)Nc2ccc(cc2C)C)nsc1SCC(=O)Nc3ccc(cc3C)C,0.0
41190,CO-ADD:0236880,3.77,C1(=Cc2c(OC1=O)ccc(Br)c2)c3csc(Nc4ccccc4OC)n3,0.0
41191,CO-ADD:0231630,3.77,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
41192,CO-ADD:0227586,3.77,[N+](=O)([O-])c1ccc(cc1\C=N/NC(COc2cc(C)ccc2C(C)C)=O)O,0.0
41193,CO-ADD:0227239,3.77,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc2c(Br)cc(cc2Br)Br)=O,0.0
41194,CO-ADD:0227884,3.77,C12c3c(cccc3)C(CC1C(=O)NC4CCCCC4)c(cccc5)c25,0.0
41195,CO-ADD:0229606,3.77,n(c(C)nn1)([nH]c(n2)c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3)c12,0.0
41196,CO-ADD:0231298,3.77,C(OC)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2OCc(cc3)ccc3F,0.0
41197,CO-ADD:0227607,3.77,c1(NCC(=O)N\N=C\c2cc(OC)ccc2O)c(Br)cc(cc1Br)Br,0.0
41198,CO-ADD:0234195,3.77,n1c2c(oc1c3ccc(cc3)\N=C\c4ccccc4[N+](=O)[O-])cccc2C,0.0
41199,CO-ADD:0234796,3.77,C(CN(CC1)CCO1)(CNC(c2ccccc2)=O)([N+](=O)[O-])[N+](=O)[O-],0.0
41200,CO-ADD:0234483,3.77,c1(c(Cl)c2c(cccc2)s1)c(nnc3c4cccs4)o3,0.0
41201,CO-ADD:0233446,3.77,c(cc(Br)cc1Cl)(\C=N\c(cc2)ccc2F)c1O,0.0
41202,CO-ADD:0233202,3.77,C(CCCCCCCCC)(NCCCCC(O)=O)=O,0.0
41203,CO-ADD:0234322,3.77,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
41204,CO-ADD:0234822,3.77,c1(OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3cccc(OC)c3)OC)c(Br)cc(cc1Br)Br,0.0
41205,CO-ADD:0236186,3.77,S(c1ccccc1)(=O)(=O)N(CC2)CCN2C(CC(N3c4ccc(cc4)OCCC)=O)C3=O,0.0
41206,CO-ADD:0233406,3.77,c1(c(O)c(\C=N\c(ccc(c23)oc(c4cccc(Cl)c4)n2)c3)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
41207,CO-ADD:0232869,3.77,c1(N2CCCCC2)[nH]nc(C)c1[N+](=O)[O-],0.0
41208,CO-ADD:0234854,3.77,C(c1ccccc1)(=O)Nc(ccc(c2\N=C\c(cc3)ccc3C#Cc4ccccc4)OC)c2,0.0
41209,CO-ADD:0232908,3.77,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
41210,CO-ADD:0226182,3.76,S(=O)(=O)(N(Cc1ccccc1Cl)c2ccc(c(F)c2)F)c3cccn(c(nn4)C)c34,0.0
41211,CO-ADD:0225379,3.76,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc(cc5)ccc5C#N,0.0
41212,CO-ADD:0226179,3.76,S(=O)(=O)(N(Cc(cc1)ccc1F)c(cc2)ccc2C(C)C)c3cccn(c(nn4)C)c34,0.0
41213,CO-ADD:0226195,3.76,N1(C2=O)C(C=C(c3ccccn3)N=C1C)=NN2CC(=O)Nc4ccccc4C(F)(F)F,0.0
41214,CO-ADD:0226924,3.76,n(c1c(cccc1)nc2SCC(=O)Nc(cc3)ccc3Br)(c(c4ccccc4)nn5)c25,0.0
41215,CO-ADD:0219006,3.76,C1(C(c2ccc(cc2)O)C3C(=O)CC(CC3=O)(C)C)=C(O)CC(C)(C)CC1=O,0.0
41216,CO-ADD:0221295,3.76,N1(Cc2cc(sc2SCC)CC)C(=O)c(c3C1=O)cccc3,0.0
41217,CO-ADD:0221305,3.76,N1(c(cc2)ccc2C(=O)N\N=C\c(cc3)ccc3Cl)C(=O)C4C(C(CC5)C=CC45)C1=O,0.0
41218,CO-ADD:0219442,3.76,[N+](=O)([O-])c1cc(CC)ccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(C)CC)OC,0.0
41219,CO-ADD:0221053,3.76,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2cccc(cccc3)c23,0.0
41220,CO-ADD:0221544,3.76,[N+](=O)([O-])c1ccc(cc1)Oc(cc2)ccc2\C(\c3ccc(cc3)Oc(cc4)ccc4[N+](=O)[O-])=C(/Cl)\Cl,0.0
41221,CO-ADD:0222022,3.76,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccccc2C)=O)c3ccccc3Br,0.0
41222,CO-ADD:0222443,3.76,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2ccccc2[N+](=O)[O-])nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
41223,CO-ADD:0220812,3.76,c1(N(CC2)CCO2)nc(N\N=C\c(cc(I)cc3I)c3O)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
41224,CO-ADD:0222327,3.76,c1(sc(c2n1)cccc2)c3ccc(cc3O)\N=C\c4cccc(I)c4O,0.0
41225,CO-ADD:0222074,3.76,c(C(=O)Nc1sc(c2c1C(OCC)=O)CCC2)(c(N)c(c34)cc(c(N)n3)C#N)s4,0.0
41226,CO-ADD:0219253,3.76,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1N(CCC)CCC,0.0
41227,CO-ADD:0219616,3.76,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)C)c2,0.0
41228,CO-ADD:0218902,3.76,C(=O)(N\N=C\c(ccc(c1OC)O)c1)C(=O)Nc2cccc(Cl)c2,0.0
41229,CO-ADD:0220819,3.76,C(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N/NC(=O)CN(CC3)CCN3CC(=O)N\N=C/c(cc4)ccc4OC(=O)c5ccc(cc5)OC,0.0
41230,CO-ADD:0219818,3.76,n1c(C)onc1c2ccc(cc2)Cl,0.0
41231,CO-ADD:0219139,3.76,c1(OCC(=O)Nc(cc2)ccc2I)c(C)cc(cc1C)C,0.0
41232,CO-ADD:0220548,3.76,c(\C=N\NC(CNc(cc1)ccc1C)=O)(cc(OCO2)c2c3)c3Br,0.0
41233,CO-ADD:0218044,3.76,c1(c2ccccc2[N+](=O)[O-])nc(N)nc(N)n1,0.0
41234,CO-ADD:0218660,3.76,c1(c(C)ccc(Cl)c1)NC(CCC(=O)N\N=C\c(ccc(c23)OCO2)c3)=O,0.0
41235,CO-ADD:0218624,3.76,C(=O)(c1cccc(C)c1)N\N=C(/C)\CC(=O)Nc(cc2)ccc2F,0.0
41236,CO-ADD:0218072,3.76,s1c(N)nnc1CC(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
41237,CO-ADD:0218096,3.76,N1(C(c(cc2)ccn2)=O)N=C(CC1(O)C(F)(F)F)C,0.0
41238,CO-ADD:0218104,3.76,C(C)(C1)(C2)C(O)C(CN2C)(CN1)C,0.0
41239,CO-ADD:0226665,3.76,c1(nnc2SC(CC)C(=O)Nc3ccc(cc3OC)OC)n2C=CN(c4ccccc4)C1=O,0.0
41240,CO-ADD:0227009,3.76,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc(ccc(c56)OCO5)c6,0.0
41241,CO-ADD:0227017,3.76,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(NCCc(cc5)ccc5Cl)=O,0.0
41242,CO-ADD:0225265,3.76,N12C(C=CC(SC(C)C)=N1)=NN(CC(=O)Nc3cccc(CC)c3)C2=O,0.0
41243,CO-ADD:0231577,3.76,c1(cc(OC)c(cc1[N+](=O)[O-])OC)C2N(CCN2Cc3ccccc3)Cc4ccccc4,0.0
41244,CO-ADD:0236030,3.76,S(=O)(=O)(c1ccc(cc1)NC(CCc2ccccc2)=O)Nc3nnc(CC)s3,0.0
41245,CO-ADD:0233661,3.76,c12n(c(cc(C)n1)C)nnn2,0.0
41246,CO-ADD:0233600,3.76,c1(Nc2ccccc2C)c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0.0
41247,CO-ADD:0233141,3.76,c12c(n(c(SCC(c3ccccc3)=O)n1)CC)C(NC(=O)N2C)=O,0.0
41248,CO-ADD:0229726,3.76,c1(OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccc(cc3)Br)OCC)c(Br)cc(cc1Br)Br,0.0
41249,CO-ADD:0231779,3.76,c1(oc(c2n1)ccc(c2)\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])OC)c4cccc(Cl)c4Cl,0.0
41250,CO-ADD:0231716,3.76,c1(C(=O)N\N=C\C=C\c2ccccc2)nn(c(c3ccccc3)n1)c4ccccc4,0.0
41251,CO-ADD:0229219,3.76,N1(c2ccc(cc2[N+](=O)[O-])OC)C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
41252,CO-ADD:0229212,3.76,c1(cc(CCCC2)c2nc1Cl)[N+](=O)[O-],0.0
41253,CO-ADD:0227136,3.76,C(=O)(N\N=C\c1ccccc1Cl)C(NCCOC)=O,0.0
41254,CO-ADD:0229190,3.75,N1(C(=O)CSC1c2ccc(cc2)Cl)c3ccc(c(C)c3)C,0.0
41255,CO-ADD:0236383,3.75,N1(c2ccccc2)C(=O)CC(N3CCC(CC3)C)C1=O,0.0
41256,CO-ADD:0234309,3.75,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(ccc2c(cccc3C(F)(F)F)c3)o2,0.0
41257,CO-ADD:0229526,3.75,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3ccc(cc3Cl)Cl,0.0
41258,CO-ADD:0229841,3.75,c1(C(=O)C2CC2)oc(c3c1NC(=O)CN(CC4)CCN4C)cccc3,0.0
41259,CO-ADD:0228987,3.75,N(=C(/C)\c1ccc(cc1)N)/NC(CCCCCCC)=O,0.0
41260,CO-ADD:0231368,3.75,N1(c2cccc(C(C)=O)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Oc(cc4)ccc4C5(c6ccc(cc6)OC(=O)c(ccc(c7C8=O)C(N8c9cccc(C(C)=O)c9)=O)c7)c%10c(cccc%10)C(c(cccc%11)c5%11)=O,0.0
41261,CO-ADD:0232841,3.75,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1\N=C\c(scc3[N+](=O)[O-])c3,0.0
41262,CO-ADD:0236574,3.75,C1(C#N)(C#N)[C@@H](c2ccccc2)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C(C)(C)C,0.0
41263,CO-ADD:0227858,3.75,n1(cnnn1)c2c(Cl)ccc(c2)[N+](=O)[O-],0.0
41264,CO-ADD:0236101,3.75,N1(C(c(cccc2[N+](=O)[O-])c2)CC(c3cc(C)ccc3C)=N1)c4scc(c5ccc(cc5)Br)n4.Br,0.0
41265,CO-ADD:0226932,3.75,C1(=N2)N(c3c(cccc3)N=C1Sc4cccc(OC)c4)C(N2CC(=O)Nc(cc5)ccc5C)=O,0.0
41266,CO-ADD:0225812,3.75,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc(cccc4C(OC)=O)c4)=O,0.0
41267,CO-ADD:0226241,3.75,S(=O)(=O)(N(Cc(cc1)ccc1C)c2ccc(c3c2)OCO3)c(ccc4n5c(C)nn4)c5,0.0
41268,CO-ADD:0226265,3.75,S(=O)(=O)(N(Cc1ccccc1)c2ccc(cc2)F)c(ccc3n4c(C)nn3)c4,0.0
41269,CO-ADD:0221556,3.75,N1(c(ccc(c2C(O)=O)Cl)c2)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
41270,CO-ADD:0221656,3.75,[N+](=O)([O-])c1cccc(c1)NC(NCCCCCCCCCCNC(=O)Nc(cccc2[N+](=O)[O-])c2)=O,0.0
41271,CO-ADD:0221362,3.75,c(C(OCC)=O)(c(cc(O)cc1)c1n2CC(CCCC)CC)c2C,0.0
41272,CO-ADD:0221038,3.75,c(c(Br)c1Br)c(NCC(=O)N\N=C\c(cc2)ccc2N(C)C)c(c1)Br,0.0
41273,CO-ADD:0221365,3.75,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CN(CC3)CCC3(c4ccccc4)C(OCC)=O,0.0
41274,CO-ADD:0221641,3.75,n1c(N2CCCC2)nc(nc1N(CC3)CCO3)N\N=C\c4ccccc4Cl,0.0
41275,CO-ADD:0219281,3.75,C(=O)(Nc(cc1)ccc1C)Nc(cc2)ccc2C(OCC)=O,0.0
41276,CO-ADD:0219231,3.75,c1(S)nccn1Cc2ccccc2,0.0
41277,CO-ADD:0220130,3.75,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NCC2CC2)c1,0.0
41278,CO-ADD:0219501,3.75,N(=C\c(ccc(c1OCC)OCCC)c1)/NC(Cc2ccccc2)=O,0.0
41279,CO-ADD:0222608,3.75,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(cc3)ccc3Cl)n2)N(CC4)CCO4.Br,0.0
41280,CO-ADD:0222683,3.75,[n+](cccc1C(N)=O)(CC(=O)c2ccc(cc2)Br)c1.[Br-],0.0
41281,CO-ADD:0220461,3.75,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c(cc2)ccc2O)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
41282,CO-ADD:0220348,3.75,c1([nH]c(c2n1)cccc2)c3cc(ccc3O)\N=C/c(cccc4[N+](=O)[O-])c4O,0.0
41283,CO-ADD:0219175,3.75,c1(ccccc1Br)C(NCCOCc2ccccc2)=O,0.0
41284,CO-ADD:0220727,3.75,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2ccccc2I)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
41285,CO-ADD:0219205,3.75,C(c1ccccc1)(=O)NC(Cc2ccccc2)C(OCC)=O,0.0
41286,CO-ADD:0218783,3.75,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c1Cl)Cl)c1)c(cccn2)c2,0.0
41287,CO-ADD:0218799,3.75,c1(cc(ccc1O)Cc(ccc(c2\C=N\c3ccccc3C)O)c2)\C=N\c4ccccc4C,0.0
41288,CO-ADD:0218335,3.75,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
41289,CO-ADD:0218351,3.75,C(=O)(N\N=C\c1ccco1)c2ccc(cc2)Cl,0.0
41290,CO-ADD:0218279,3.75,N(=C\c(cc1)ccc1OC)/NC(CCC(=O)Nc(cc2)ccc2I)=O,0.0
41291,CO-ADD:0218319,3.75,[N+](=O)([O-])c1ccc(cc1)\C=N\N(c2ccccc2)Cc3ccccc3,0.0
41292,CO-ADD:0227015,3.75,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc5ccc(cc5Cl)C,0.0
41293,CO-ADD:0225318,3.75,c12n(c3c(cccc3)nc1N4CCCCC4)c(nn2)CCC(=O)NCc(cc5)ccc5SC,0.0
41294,CO-ADD:0227014,3.75,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc5ccccc5OC,0.0
41295,CO-ADD:0226470,3.75,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc4ccc(cc4F)F,0.0
41296,CO-ADD:0226486,3.75,c1(nnc2SC(CC)C(=O)Nc3cc(C)ccc3C)n2C=CN(c4cccc(OC)c4)C1=O,0.0
41297,CO-ADD:0233769,3.75,N1(CCC[C@@H](C1)c(ccn2)o2)C([C@H](C)N)=O.Cl,0.0
41298,CO-ADD:0233699,3.75,c1([nH]nc(C(CC2)CCN2C(=O)C(C)(C)N)c1)C(F)(F)F.Cl,0.0
41299,CO-ADD:0234382,3.75,C(F)(F)(F)c(ccc(c1\N=C\c2ccccc2O)Cl)c1,0.0
41300,CO-ADD:0233443,3.75,c(cc(Br)cc1Cl)(\C=N\c2ccc(cc2C)Cl)c1O,0.0
41301,CO-ADD:0236273,3.75,[N+](=O)([O-])c1cc(ccc1OC)CSc2[nH]cc(c3ccccc3)n2,0.0
41302,CO-ADD:0233207,3.75,S(=O)(=O)(c1ccc(cc1)C)Nc2ccc(cc2C(=O)Nc(ccc(c3C(=O)c4ccc(cc4)Cl)Cl)c3)Cl,0.0
41303,CO-ADD:0229235,3.74,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(cc(Br)cc2I)c2O,0.0
41304,CO-ADD:0229221,3.74,N1(c(cccc2C(=O)c3ccc(c(C)c3)C)c2)C(=O)c(c4C1=O)ccc(C(=O)c(ccc(c5C6=O)C(N6c(cccc7C(=O)c8ccc(c(C)c8)C)c7)=O)c5)c4,0.0
41305,CO-ADD:0229244,3.74,C1(C)(CC2)C(CC[C@]1(O)C#N)C(C23)CCC(CC45OCCO4)C3(C)CC5,0.0
41306,CO-ADD:0229238,3.74,c1(\C=N\CCc(cc2)ccn2)c3c([nH]c1C)cccc3,0.0
41307,CO-ADD:0229079,3.74,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\c(cc3)ccc3C#N,0.0
41308,CO-ADD:0229178,3.74,N(C12CC3CC(CC(C3)C1)C2)(C4c(cc5)ccc5[N+](=O)[O-])C(=O)C(=C4C(C)=O)O,0.0
41309,CO-ADD:0229073,3.74,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(cccc2NC(=O)c3ccc(cc3)OC)c2)OCC)c1,0.0
41310,CO-ADD:0236450,3.74,N(C(=O)c1ccc(cc1)NC(=O)C(F)(F)F)c2sccn2,0.0
41311,CO-ADD:0234139,3.74,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3Cl)OC)c3)c4cc(Cl)ccc4Cl,0.0
41312,CO-ADD:0231503,3.74,c1(oc(c2n1)ccc(c2)\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])c5ccc(cc5Cl)F,0.0
41313,CO-ADD:0232871,3.74,P(O)(=O)(CN(CC1)CCO1)CN2CCCCCC2=O,0.0
41314,CO-ADD:0236615,3.74,C1(C#N)(C#N)[C@H](c2ccccc2)[C@H](N3[C@]1([H])C=Cc(c34)cc(cc4)Cl)C(=O)c5ccccc5C,0.0
41315,CO-ADD:0236609,3.74,c1(OC(N)=C(C2c3ccc(c(OC)c3)OC)C#N)c2c([nH]n1)C,0.0
41316,CO-ADD:0234723,3.74,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(cc(Br)cc4Cl)c4O,0.0
41317,CO-ADD:0234157,3.74,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3C(OC)=O)c4cc(Cl)ccc4Cl,0.0
41318,CO-ADD:0225814,3.74,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4ccccc4Br)=O,0.0
41319,CO-ADD:0226150,3.74,S(=O)(=O)(N(Cc1cc(C)ccc1C)c2cc(C)cc(C)c2)c3cccn(c(nn4)C)c34,0.0
41320,CO-ADD:0225406,3.74,C1(=N2)N(C=Cn(nc(c3ccccc3)c4)c14)C(N2CC(=O)N(CC5)CCN5c6ccccc6F)=O,0.0
41321,CO-ADD:0225428,3.74,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(cc5)ccc5C(OCC)=O)=O,0.0
41322,CO-ADD:0226901,3.74,n(c1c(cccc1)nc2SCC(=O)Nc3cccc(Cl)c3)(c(C(C)C)nn4)c24,0.0
41323,CO-ADD:0221257,3.74,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2Cl)CC(=O)N3CCCCCC3,0.0
41324,CO-ADD:0218991,3.74,c1(C(=O)N\N=C\c(cc2)ccc2OCC)c(O)cc(c3c1)cccc3,0.0
41325,CO-ADD:0221718,3.74,c1(\C=N\NC(CCCC(=O)Nc2cccc(Br)c2)=O)c(cccc1Cl)Cl,0.0
41326,CO-ADD:0221872,3.74,C(=O)(N\N=C\c1c2c(cccc2)cc(cccc3)c13)C(=O)Nc4ccccc4F,0.0
41327,CO-ADD:0221300,3.74,N1(CCCCC1)CCOc2ccccc2OC,0.0
41328,CO-ADD:0221322,3.74,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc3sccn3,0.0
41329,CO-ADD:0222657,3.74,C(=C/c(ccc(c1OC)OC)c1)(/C2=O)\N=C(O2)C,0.0
41330,CO-ADD:0222386,3.74,n1c2c(oc1c3ccc(cc3)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4)cc(C)c(C)c2,0.0
41331,CO-ADD:0220672,3.74,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(cccc3[N+](=O)[O-])c3OC,0.0
41332,CO-ADD:0222142,3.74,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CNc(ccc(c23)cccc2)c3)=O,0.0
41333,CO-ADD:0221153,3.74,N(CN(CC1(\C(\c2ccccc2)=N/N=C/c(cc(Br)cc3Br)c3O)CN4S(=O)(=O)c5ccc(cc5)C)C4)(C1)S(=O)(=O)c6ccc(cc6)C,0.0
41334,CO-ADD:0222587,3.74,C(=C(/C)\c1ccccc1)/C(=O)NC(C)Cc2ccccc2,0.0
41335,CO-ADD:0218939,3.74,c1(ccccc1Br)C(=O)N\N=C(/CCC)\c2ccc(cc2)Br,0.0
41336,CO-ADD:0218912,3.74,C(CSc(cc1)ccc1Cl)(=O)N\N=C/c(ccc(c2OC)C)c2,0.0
41337,CO-ADD:0219740,3.74,[N+](=O)([O-])c(cccc1C(OCC#CCOC(=O)c(cccc2[N+](=O)[O-])c2)=O)c1,0.0
41338,CO-ADD:0219488,3.74,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)CN(C)c2ccccc2,0.0
41339,CO-ADD:0220762,3.74,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc(ccc(c34)cccc3)c4)=O,0.0
41340,CO-ADD:0226101,3.74,S(=O)(=O)(N(Cc(cc1)ccc1OC)c2ccc(cc2)F)c3cccn(c(nn4)C)c34,0.0
41341,CO-ADD:0218720,3.74,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3ccccc3F,0.0
41342,CO-ADD:0218378,3.74,c1(cc2c(cc1[N+](=O)[O-])[nH]c(N)n2)[N+](=O)[O-],0.0
41343,CO-ADD:0218739,3.74,C(=O)(c1ccccc1C)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
41344,CO-ADD:0218755,3.74,c1(\C=N\NC(CCC(=O)Nc2ccccc2Br)=O)c3c(cccc3)cc(cccc4)c14,0.0
41345,CO-ADD:0218784,3.74,C(=O)(C\C(\C)=N\NC(=O)C(c1ccccc1)c2ccccc2)Nc3ccccc3CC,0.0
41346,CO-ADD:0225287,3.74,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)NCc(cc3)ccc3Cl)C2=O,0.0
41347,CO-ADD:0226647,3.74,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4ccc(cc4C)C,0.0
41348,CO-ADD:0225454,3.74,c12n(ccn(c(nn3)CCC(NCCc4ccccc4)=O)c13)nc(c5ccc(cc5)OC)c2,0.0
41349,CO-ADD:0225462,3.73,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc5cccc(C)c5)=O,0.0
41350,CO-ADD:0231354,3.73,n1c(c2ccc(cc2)Br)csc1N\N=C(/C)\c3ccc(cc3)C.Br,0.0
41351,CO-ADD:0227189,3.73,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c2ccccc2O,0.0
41352,CO-ADD:0231252,3.73,C(=O)(c1ccc(cc1)Br)Nc2cccc(Cl)c2C,0.0
41353,CO-ADD:0231329,3.73,S(=O)(=O)(Oc(cc1)ccc1\C=N\NC(=O)CC(=O)N\N=C\c(cc2)ccc2OS(=O)(=O)c(cccc3[N+](=O)[O-])c3)c(cccc4[N+](=O)[O-])c4,0.0
41354,CO-ADD:0229560,3.73,C(OC)(=O)c1ccc(cc1)NC(=O)CCN2CCCCC2,0.0
41355,CO-ADD:0231730,3.73,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(ccc(c4Cl)OC)c4,0.0
41356,CO-ADD:0229449,3.73,C(CC(C)C)(NC(CCCCCCCCC(OC)=O)=O)C(O)=O,0.0
41357,CO-ADD:0231752,3.73,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(ccc(c45)OCO4)c5,0.0
41358,CO-ADD:0229187,3.73,C(C#N)(C1c2ccccc2)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
41359,CO-ADD:0229454,3.73,c1(ccc(cc1O)O)C(=O)N\N=C\c2cccc(Cl)c2,0.0
41360,CO-ADD:0227734,3.73,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(N)c5)n1,0.0
41361,CO-ADD:0234716,3.73,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(CNC(=O)c3ccco3)=O,0.0
41362,CO-ADD:0236452,3.73,n1c(SCC(=O)c2ccc(cc2)Br)[nH]nc1c3ccccc3,0.0
41363,CO-ADD:0236888,3.73,C(=O)(C1CC=CCC1C(O)=O)Nc2ccccc2C,0.0
41364,CO-ADD:0231633,3.73,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c(cc4)ccc4\C=N\c(ccc(c56)[nH]c(c7ccccc7)n5)c6,0.0
41365,CO-ADD:0234149,3.73,n1c2c(oc1c3cccc(c3)\N=C\c4cc(C)cc(Br)c4O)cccc2C,0.0
41366,CO-ADD:0231147,3.73,C(=O)(C(N)=O)Nc1cccc(Cl)c1C,0.0
41367,CO-ADD:0231073,3.73,N(=C\c1ccccc1OC)/NC(CCC(=O)Nc2cccc(Br)c2)=O,0.0
41368,CO-ADD:0231478,3.73,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(=O)c(ccc(c34)OCCO3)c4,0.0
41369,CO-ADD:0231513,3.73,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(COc3cc(C)ccc3C(C)C)=O)Br,0.0
41370,CO-ADD:0231130,3.73,C(=O)(C\C(\C)=N/NC(COc1ccc(cc1Br)C)=O)Nc2c(C)ccc(Cl)c2,0.0
41371,CO-ADD:0231311,3.73,C(=O)(N\N=C\c1ccc(cc1OCC)OCC)c(cc2)ccc2N(C)C,0.0
41372,CO-ADD:0236164,3.73,c1(Nc(ccc(c2C)C)c2)nc(C)cc(COC)c1C#N,0.0
41373,CO-ADD:0236199,3.73,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
41374,CO-ADD:0233554,3.73,n1c2c(oc1c3ccc(cc3)\N=C\c(cc4)ccc4Cl)cccc2C,0.0
41375,CO-ADD:0221462,3.73,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc2ccccc2Cl,0.0
41376,CO-ADD:0221445,3.73,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c(ccc(c23)OCCOCCOCCO2)c3,0.0
41377,CO-ADD:0221732,3.73,C(=O)(Nc1cccc(Cl)c1Cl)Nc2c(Cl)cc(c(F)c2)F,0.0
41378,CO-ADD:0221485,3.73,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(cc2)ccc2N(CC)CC)c1,0.0
41379,CO-ADD:0219500,3.73,c1(Br)c(O)c(\C=N\NC(COc2ccccc2C#N)=O)cc(Br)c1O,0.0
41380,CO-ADD:0221377,3.73,c1(C(OCC)=O)c(cc(cc2)OC(C)=O)c2n(c3ccccc3)c1C,0.0
41381,CO-ADD:0221398,3.73,N1(c(cc2)ccc2[N+](=O)[O-])C(c3ccc(cc3)F)CC(c4ccc(cc4)C)=N1,0.0
41382,CO-ADD:0221653,3.73,C(OCCF)(=O)Nc(cc1)ccc1Br,0.0
41383,CO-ADD:0221495,3.73,[N+](=O)([O-])c1ccc(cc1)NC(=O)c(cccc2C(=O)Nc(cc3)ccc3[N+](=O)[O-])c2,0.0
41384,CO-ADD:0221483,3.73,N1(CNc2ccccc2Cl)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
41385,CO-ADD:0222293,3.73,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Cl)cc4Cl)c4O)cccc2,0.0
41386,CO-ADD:0220018,3.73,N(=C/c1cccc(OC)c1)/NC(CCCCCCCC(=O)N\N=C\c2cccc(OC)c2)=O,0.0
41387,CO-ADD:0220040,3.73,C1(NC(=O)c(cc2)ccc2[N+](=O)[O-])=C(C)N(N(c3ccccc3)C1=O)C,0.0
41388,CO-ADD:0222849,3.73,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c3cccc(Cl)c3C,0.0
41389,CO-ADD:0222090,3.73,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)Nc3c(C)cccc3C,0.0
41390,CO-ADD:0222494,3.73,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\c2cccc(Cl)c2Cl)Br,0.0
41391,CO-ADD:0222062,3.73,n1(CC)c2c(c(CCCC3=O)c13)cc(Oc4ccccc4)cc2,0.0
41392,CO-ADD:0218928,3.72,c1(ccccc1Cl)C(=O)N\N=C(\CCC)/c2ccccc2,0.0
41393,CO-ADD:0219621,3.72,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc2ccccc2CC,0.0
41394,CO-ADD:0219679,3.72,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc2ccccc2[N+](=O)[O-],0.0
41395,CO-ADD:0219291,3.72,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
41396,CO-ADD:0219480,3.72,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2OC,0.0
41397,CO-ADD:0231926,3.72,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c2cc(OC)ccc2O,0.0
41398,CO-ADD:0223285,3.72,c12c(c(ccc1)CC3)c3ccc2\C(\C)=N\NC(N)=S,0.0
41399,CO-ADD:0232096,3.72,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2cccc(C)c2)=O)c3cccc(F)c3,0.0
41400,CO-ADD:0235887,3.72,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c2ccc(cc2)Br,0.0
41401,CO-ADD:0232131,3.72,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c2cccc(Br)c2,0.0
41402,CO-ADD:0248292,3.72,N/C(N)=N/C1=NC(C2=CNC3=C2C=CC=C3)=CS1.Cl,0.0
41403,CO-ADD:0235422,3.72,C(C1)(C2c3ccccc3C)=C(OC(N)=C2C#N)\C(\CN1CC)=C\c4ccccc4C.C(=O)O,0.0
41404,CO-ADD:0235163,3.72,[N+](=O)([O-])c(cc1\C=N\NC(CNc2ccccc2C)=O)cc(c1OC(=O)c3ccc(cc3)Br)Br,0.0
41405,CO-ADD:0232682,3.72,c1(C(OCC)=O)oc(c2c1C)ccc(\C=N\CCCO)c2Cl,0.0
41406,CO-ADD:0235188,3.72,n1c2c(oc1c3cccc(C)c3)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
41407,CO-ADD:0222926,3.72,C(=C\c(c(OC)ccc1[N+](=O)[O-])c1)(/C(=O)NC(N2)=S)\C2=O,0.0
41408,CO-ADD:0235154,3.72,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(cc2)ccc2Cl)=O)c3cccc(Br)c3,0.0
41409,CO-ADD:0231970,3.72,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c4cccc(I)c4,0.0
41410,CO-ADD:0235621,3.72,n1(c(c2ccccc2)c(nn1)C(NN)=O)c3nonc3N,0.0
41411,CO-ADD:0232053,3.72,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(COc3cccc(C)c3)=O)Br,0.0
41412,CO-ADD:0223412,3.72,c(cc(C(OCCCC)=O)cc1[N+](=O)[O-])([N+](=O)[O-])c1N(C)C,0.0
41413,CO-ADD:0222979,3.72,c1(Cl)c(F)ccc(c1)NC(CSc(cc2)ccc2Cl)=O,0.0
41414,CO-ADD:0223367,3.72,c1(SCC(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])sc(c3n1)cccc3,0.0
41415,CO-ADD:0235360,3.72,N1(NC(=O)c2ccc(cc2)Br)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
41416,CO-ADD:0235132,3.72,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc2cccc(C)c2)=O)c3cccc(Br)c3,0.0
41417,CO-ADD:0232683,3.72,[N+](=O)([O-])c1cnccc1N,0.0
41418,CO-ADD:0235379,3.72,C(=O)(C(C(C)CC)NC(OCc1ccccc1)=O)Nc2ccc(cc2C)C,0.0
41419,CO-ADD:0223276,3.72,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3Sc(cc(cc4)c(c56)c(c4)C(OC5=O)=O)c6,0.0
41420,CO-ADD:0232619,3.72,c(C(OCC)=O)(c(C)nc(c1C(OCC)=O)C)c1,0.0
41421,CO-ADD:0232051,3.72,N(=C(/C)\c1cccc(Br)c1)/NC(CNc2cccc(C)c2)=O,0.0
41422,CO-ADD:0223023,3.72,N1(CNc2c(C)ccc(Cl)c2)C(=O)\C(\SC1=S)=C/c3cccc(Cl)c3Cl,0.0
41423,CO-ADD:0235079,3.72,c1(c(Br)cc(cc1\C=N\NC(CNc2ccccc2C)=O)Br)OC(=O)c3cccc(F)c3,0.0
41424,CO-ADD:0235071,3.72,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(COc(cc3)ccc3Cl)=O)Br,0.0
41425,CO-ADD:0235867,3.72,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c2ccccc2OC,0.0
41426,CO-ADD:0235547,3.72,n1c(SCC(=O)Nc(cc2)ccc2C)[nH]nc1c3ccccc3,0.0
41427,CO-ADD:0235254,3.72,c1(OC)c(OC)cc(cc1OC)\C=N\NC(=O)c2ccc(cc2)Br,0.0
41428,CO-ADD:0223009,3.72,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc3ccccc3C(OC)=O,0.0
41429,CO-ADD:0248373,3.72,ClC1=C2C(N(CC3=CC=CC=C3)C(C4=CSC=N4)=N2)=CC=C1,0.0
41430,CO-ADD:0235045,3.72,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(C)=O,0.0
41431,CO-ADD:0232457,3.72,C(/c1ccccn1)(\N\N=C(/C)\c2ccc(cc2)OC)=N\c3ccccc3,0.0
41432,CO-ADD:0232644,3.72,N1(c2ccc(cc2)CC)CC(CC1=O)C(O)=O,0.0
41433,CO-ADD:0235675,3.72,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)SCC(=O)Nc(ccc(c3Cl)Cl)c3,0.0
41434,CO-ADD:0232476,3.71,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])Br,0.0
41435,CO-ADD:0235112,3.71,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2C(C)=O,0.0
41436,CO-ADD:0235068,3.71,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
41437,CO-ADD:0235059,3.71,n1c(c2ccccc2)c3c(nc1c4ccc(cc4)NC(CCl)=O)ccc(c3)NC(CCl)=O,0.0
41438,CO-ADD:0222868,3.71,C(=O)(c1ccc(cc1)Cl)Nc(ccc(c23)cccc2)c3,0.0
41439,CO-ADD:0232136,3.71,C(=O)(NCC(=O)N\N=C\c1ccc(cc1Cl)Cl)c2ccc(c(OC)c2)OC,0.0
41440,CO-ADD:0231998,3.71,c1(\C=N\NC(c(cc2)ccn2)=O)cc(Cl)ccc1OC,0.0
41441,CO-ADD:0235588,3.71,N1(c2c(OC1=O)cccc2)C(OCC)=O,0.0
41442,CO-ADD:0248698,3.71,OC(C1=CC(F)=C(F)C=C1)COC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32,0.0
41443,CO-ADD:0248699,3.71,FC1=C(F)C=CC(C(OC)COC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32)=C1,0.0
41444,CO-ADD:0235833,3.71,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c2ccccc2C(=O)OCC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
41445,CO-ADD:0230722,3.71,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)CCSc(cc2)ccc2Cl,0.0
41446,CO-ADD:0232572,3.71,N(CC(=O)N\N=C\c1cc(ccc1N2CCCC2)[N+](=O)[O-])(c(cccc3)c34)c(cccc5)c5C4=O,0.0
41447,CO-ADD:0235131,3.71,C(=N\Nc(cc1)ccc1C)(/C2=O)\C(=O)NC(=S)N2,0.0
41448,CO-ADD:0223329,3.71,S(=O)(=O)(c1ccc(cc1)\N=C\c(cccc2[N+](=O)[O-])c2)NC(N)=N,0.0
41449,CO-ADD:0223251,3.71,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3OC)cc(c3O)I,0.0
41450,CO-ADD:0248293,3.71,N/C(N)=N/C1=NC(C2=CSC3=C2C=CC=C3)=CS1,0.0
41451,CO-ADD:0244471,3.71,N1C(=O)c2c(cc(cc2)C#N)C1=O,0.0
41452,CO-ADD:0240737,3.71,N(/c1cccc2c1cccc2\N=C\c3ccc(cc3Cl)Cl)=C\c4ccc(cc4Cl)Cl,0.0
41453,CO-ADD:0283954,3.71,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(ccc(c34)OCCO3)c4,0.0
41454,CO-ADD:0283297,3.71,N1C(=O)C(C)=CN(CC(C)C)C1=O,0.0
41455,CO-ADD:0242125,3.71,n(c1C)(nnc1C(=O)N\N=C\c(cccn2)c2)c3nonc3N,0.0
41456,CO-ADD:0240759,3.71,c1(N\N=C\c2c(O)ccc(cccc3)c23)nc(c4ccccc4)cc(c5ccc(c(OC)c5)OC)n1,0.0
41457,CO-ADD:0242904,3.71,[N+](=O)([O-])c(ccc(c1C2)c(c2c3)ccc3[N+](=O)[O-])c1,0.0
41458,CO-ADD:0240649,3.71,N1(c(cccn2)c2)C(C)(O)C(OC1=O)(C)C,0.0
41459,CO-ADD:0244730,3.71,N1(c2cccc(OC)c2)C(=O)CC(N(CC3)CCN3S(c4ccccc4)(=O)=O)C1=O,0.0
41460,CO-ADD:0240417,3.71,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c(ccc(c34)OCO3)c4)c5nonc5N,0.0
41461,CO-ADD:0279022,3.71,C(=C/c(ccc(c1OCC)OCc2ccccc2F)c1)(/C(=O)NC(N3CC=C)=O)\C3=O,0.0
41462,CO-ADD:0257653,3.71,N1(c2c(C)cc(cc2C)C)C(=O)c(c3C1=O)ccc(c3)C(=O)NN4C(=O)c5c(cccc5)C4=O,0.0
41463,CO-ADD:0257861,3.71,C12(\C=N/c(cc3)ccc3C)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OC)=O)c(cccc7)c27,0.0
41464,CO-ADD:0259644,3.71,C(/C#N)(=C/c(cc1)ccc1OCC)\C(=O)NCc2ccccc2,0.0
41465,CO-ADD:0259329,3.71,C1(CC2=NC3(Cc4c2cccc4)CCCC3)=NC5(Cc6c1cccc6)CCCC5,0.0
41466,CO-ADD:0258045,3.71,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Sc(cc4C(C)(C)C)cc(c4O)C(C)(C)C,0.0
41467,CO-ADD:0245539,3.71,N1(c2cc(C)ccc2C)C(=O)c3c(c4C1=O)c(c5cc3)c(cc4)CC5,0.0
41468,CO-ADD:0240387,3.71,C(=O)(N\N=C\c1cccc(OC)c1O)c(ccc(c2Cl)Cl)c2,0.0
41469,CO-ADD:0240352,3.71,N(c1ccccc1)(CC2)CCN2CCC(=O)Nc3cccc(Br)c3,0.0
41470,CO-ADD:0240155,3.71,C(=O)(C(c1ccccc1)c2ccccc2)Nc(ccc(c3Cl)Cl)c3,0.0
41471,CO-ADD:0240135,3.71,C(C(OCC)=O)(=C1C)\C(=C\c(ccc(c2OC)OC)c2)\C(N1c3ccccc3)=O,0.0
41472,CO-ADD:0240337,3.71,N1(c2cccc(OC)c2)C(=O)C(CC1=O)Nc(cc3)ccc3OC,0.0
41473,CO-ADD:0240635,3.71,N1C(=O)\C(\SC1=O)=C/c(ccc(c2OCC)OCc3ccc(cc3Cl)Cl)c2,0.0
41474,CO-ADD:0240186,3.71,N(=C\c(ccc(c1O)OC)c1)/c2ccc(cc2C)C,0.0
41475,CO-ADD:0240948,3.71,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC(C)C(=O)[O-].[Na+],0.0
41476,CO-ADD:0240648,3.71,N1(C(C)C(=O)[O-])C(C)(O)C(OC1=O)(C)C.[Na+],0.0
41477,CO-ADD:0240350,3.71,N1(CN2CCCCC2)c(ccc(c3)[N+](=O)[O-])c3OC1=O,0.0
41478,CO-ADD:0240176,3.71,N(CCSc1ccccc1)(CC2)CCN2CCSc3ccccc3,0.0
41479,CO-ADD:0240947,3.7,C1(F)(C(F)(F)C(=O)Nc(cc(Br)cc2NC(=O)C(F)(F)C3(F)OC(C(F)(F)C3(F)F)(F)F)c2)OC(C(F)(F)C1(F)F)(F)F,0.0
41480,CO-ADD:0240428,3.7,n(c1C)(nnc1C(=O)N\N=C(/c2ccc(cc2)F)\c3ccc(cc3)F)c4nonc4N,0.0
41481,CO-ADD:0240886,3.7,n1(c(C)c(nn1)\C(\C)=N\N=C(/C=C/c2ccccc2)\C=C\c3ccccc3)c4nonc4N,0.0
41482,CO-ADD:0240310,3.7,C1(=Cc2c(OC1=O)cccc2)C(=O)N3CCSC3c4ccccc4,0.0
41483,CO-ADD:0240631,3.7,C(c1ccccc1NC(CCC(O)=O)=O)#Cc(cc2)ccc2Br,0.0
41484,CO-ADD:0240392,3.7,C(C#N)(C1c(cccc2[N+](=O)[O-])c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
41485,CO-ADD:0259708,3.7,N1(C2c3ccccc3)C(S\C(=C\c(cc(OC)c(c4)O)c4Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
41486,CO-ADD:0259039,3.7,C(=N\c1ccccn1)(/N(c2ccccc2)C(=C3Oc(cc4)ccc4[N+](=O)[O-])c5ccccc5)\S3,0.0
41487,CO-ADD:0258399,3.7,c1(C(CC)=O)cc2c(cc1N)OCCO2,0.0
41488,CO-ADD:0258463,3.7,n1(nnc(C(O)=O)c1CSc2sc(c3n2)cccc3)c4nonc4N,0.0
41489,CO-ADD:0244498,3.7,C(=O)(N\N=C\c(ccc(c1O)O)c1)c2cccc(Br)c2,0.0
41490,CO-ADD:0240821,3.7,S(=O)(=O)(c1ccc(c2c1)OCCO2)N(Cc3ccccc3)CC(=O)N\N=C\c4cccc(Br)c4,0.0
41491,CO-ADD:0245492,3.7,c1(C#N)c2c(sc1\N=C\c3ccc(cc3Cl)Cl)CCCC2,0.0
41492,CO-ADD:0244760,3.7,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccc(cc2)Cl)Nc3cc(OC)nc(OC)n3,0.0
41493,CO-ADD:0244791,3.7,N1(c2c(Cl)cc(cc2Cl)Cl)C(=O)\C(\C(NC(=O)c(cccc3[N+](=O)[O-])c3)=N1)=C\c(ccc(c4OC)OC)c4,0.0
41494,CO-ADD:0244467,3.7,c1(NC(=S)NC(=O)\C=C\c2ccccc2)sc(c3c1C(OCC)=O)CCCC3,0.0
41495,CO-ADD:0244485,3.7,C1(C(C)=O)=C(C)NC(NC1c(ccc(c23)OCO2)c3)=O,0.0
41496,CO-ADD:0241634,3.7,c1(cc(c(cc2)ccc2c3ccccc3)nn4)c4c(c5C1=O)cccc5,0.0
41497,CO-ADD:0241962,3.7,C(C(OCC)=O)(C1c2ccccc2)=C(Nc(cc3)ccc3Br)CC(C)(O)C1C(OCC)=O,0.0
41498,CO-ADD:0244470,3.7,C(O)(COc(cc1)ccc1CC)=O,0.0
41499,CO-ADD:0244777,3.7,s1c(Cc(cc2)ccc2OC)nnc1S,0.0
41500,CO-ADD:0242081,3.7,N1(CC(CC1C(=O)Nc(ccc(c2C)C)c2)O)C(=O)Oc3ccccc3,0.0
41501,CO-ADD:0240119,3.7,C(=O)(N\N=C\c(cc1)ccc1Cl)C(O)(c2ccccc2)c3ccccc3,0.0
41502,CO-ADD:0240443,3.7,c(\C=N\NC(=O)CC1(C)OCCO1)(c2c([nH]3)cccc2)c3,0.0
41503,CO-ADD:0259980,3.7,C(/C(C)=NN1c2cccc(Cl)c2)(=C/c3c[nH]nc3c4ccccc4)\C1=O,0.0
41504,CO-ADD:0278448,3.7,C(NCc(ccc(c12)OCO1)c2)(C(F)(F)F)(C(F)(F)F)NC(=O)c(cccn3)c3,0.0
41505,CO-ADD:0278161,3.7,C1(C)(NN=C2C(OCC)=O)C2C(N(c3ccc(cc3)Br)C1=O)=O,0.0
41506,CO-ADD:0240882,3.7,c1(ccccc1N)C(=O)N\N=C\c(cc(OCO2)c2c3)c3Br,0.0
41507,CO-ADD:0240652,3.7,n1(nnc(C(OCC)=O)c1CN(CC2)CCN2Cc3ccccc3)c4nonc4N,0.0
41508,CO-ADD:0240945,3.7,N(=C\c(ccc(c1OC)OC)c1)/NC(CCCNc(cc2)ccc2OC)=O,0.0
41509,CO-ADD:0278832,3.7,c1(NC(=O)c2ccc(cc2)C)n(c3ccccc3)ncc1C(=O)N(CC4)CCN4C,0.0
41510,CO-ADD:0278449,3.7,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(c4c3)cccc4)\N2CCc5ccccc5.Br,0.0
41511,CO-ADD:0278162,3.7,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(c4c3)cccc4)\N2CCC.Br,0.0
41512,CO-ADD:0277922,3.7,c1(NC(COC(CSc2nc(c3ccccc3)cc(c4ccccc4)n2)=O)=O)nnc(CC)s1,0.0
41513,CO-ADD:0240612,3.7,C(C(OCC)=O)(=C1C)\C(=C\c2ccc(cc2Cl)Cl)\C(N1C3CCCCC3)=O,0.0
41514,CO-ADD:0240913,3.7,C(=N)(N1CCCCC1)\C(\C#N)=N\Nc2ccccc2F,0.0
41515,CO-ADD:0240907,3.7,c(c(F)c1F)(c(F)c(c1C(F)(F)F)F)n2c(C)cc(C)n2,0.0
41516,CO-ADD:0240666,3.7,N1(n(cnn2)c2)C(C)(O)C(OC1=O)(C)CC,0.0
41517,CO-ADD:0258390,3.7,N1(c2cccc(OC)c2)C(=O)C(C(C1=O)C34CO)C(c(c35)cccc5)c(c46)cccc6,0.0
41518,CO-ADD:0257366,3.7,n1c(c2ccccc2)nnn1CC(=O)N([H])\N=C\c3ccccc3[N+](=O)[O-],0.0
41519,CO-ADD:0257478,3.7,C(=O)(NNC(=O)c(cc1)ccc1c2ccccc2)C(=O)NC(C)(C)C,0.0
41520,CO-ADD:0242299,3.7,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3)cc(c3OC(C)=O)OCC,0.0
41521,CO-ADD:0244503,3.7,C(NCCCCCCCC)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2N(C)C,0.0
41522,CO-ADD:0244524,3.69,N(=C(\C)/c(ccc(c1Cl)Cl)c1)/NC(=O)c2cccc(c2)NC(Cc3ccccc3)=O,0.0
41523,CO-ADD:0240297,3.69,N1(c2ccccc2)C(=O)CC(N3CCC(CC3)Cc4ccccc4)C1=O,0.0
41524,CO-ADD:0244746,3.69,c1(OC)c(OC)cc(cc1OC)NC(CCC2CCCCC2)=O,0.0
41525,CO-ADD:0240114,3.69,C(O)(c(cccc1C(F)(F)F)c1)(c(cccc2C(F)(F)F)c2)C(=O)NNc3ccccc3Cl,0.0
41526,CO-ADD:0277489,3.69,C(C(c1ccccc1)=O)(Sc2cc(C)nc(C(C)C)n2)NC(c3ccccc3)=O,0.0
41527,CO-ADD:0240482,3.69,C1(C(OCC)=O)=C(C)NC(=S)NC1c2ccc(cc2)OCC(=O)N3CCCCC3,0.0
41528,CO-ADD:0246174,3.69,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c(c(ccc4[N+](=O)[O-])OCc5ccc(cc5Cl)Cl)c4)\C1=O,0.0
41529,CO-ADD:0242538,3.69,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C/c(cc2)ccc2OC(=O)c(ccc(c34)OCO3)c4,0.0
41530,CO-ADD:0241452,3.69,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)ccc4OC)\C1=O,0.0
41531,CO-ADD:0240958,3.69,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc(cc3)ccc3c4ccccc4,0.0
41532,CO-ADD:0240263,3.69,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)N(C)c2ccccc2,0.0
41533,CO-ADD:0240220,3.69,c1(nc(c2n1CC(=O)N\N=C\c(c(Cl)cc(c3[N+](=O)[O-])N(C)C)c3)cccc2)c4nonc4N,0.0
41534,CO-ADD:0240865,3.69,c1(Sc2c(cc(cc2[N+](=O)[O-])C(O)=O)[N+](=O)[O-])nnc(c3ccc(cc3)OC)n1c4ccccc4,0.0
41535,CO-ADD:0258974,3.69,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)ccc5[N+](=O)[O-],0.0
41536,CO-ADD:0258402,3.69,c1(NC(CCCCCC)=O)nnc(Cc(cc2)ccc2Cl)s1,0.0
41537,CO-ADD:0259346,3.69,c1(nnc(CSCc2ccccc2)s1)NC(=O)c3ccco3,0.0
41538,CO-ADD:0259008,3.69,C(OCCCCCCCCCC)(=O)Nc(cc1)ccc1Cl,0.0
41539,CO-ADD:0240534,3.69,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
41540,CO-ADD:0242429,3.69,C(C(C)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(O)C(N1CC(O)=O)=O,0.0
41541,CO-ADD:0242553,3.69,c1(scc(c(cccc2[N+](=O)[O-])c2)n1)NC(c(cc3)ccn3)=O,0.0
41542,CO-ADD:0241187,3.69,N1=C(c2ccc(cc2)OC(C)=O)OC(=O)c(cc(Br)cc3Br)c13,0.0
41543,CO-ADD:0240828,3.69,N1(c2ccccc2)C(=O)c3c(C(c4ccc(cc4)Br)=N1)cccc3,0.0
41544,CO-ADD:0242039,3.69,S(=O)(=O)(c(cccc1C(=O)N2CCCc(cccc3)c23)c1)N(CC4)CCO4,0.0
41545,CO-ADD:0258985,3.69,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(ccc(c3OC)OC)c3.Cl,0.0
41546,CO-ADD:0242435,3.69,C(NCCCCCC(=O)[O-])(=O)c1ccc(cc1)OCC,0.0
41547,CO-ADD:0240315,3.69,N1(c2ccccc2Cl)C(=O)NC(\C(=C/c(c(cccc3)c3n4C)c4)\C1=O)=O,0.0
41548,CO-ADD:0240489,3.69,N(\C(=N/c1cccc(C)c1)\C2(N3c4ccccc4)CCCC2)=C3SC.I,0.0
41549,CO-ADD:0240343,3.69,c(C(=O)c(cccc1)c1C2=O)(c3c4ccccc4)c2c(n3c5ccc(cc5)N)c6ccc(cc6)OC,0.0
41550,CO-ADD:0242453,3.69,C(=C\c(ccc(c1[N+](=O)[O-])Sc2sc(c(ccc3[N+](=O)[O-])n2)c3)c1)(/C4=O)\C(=O)N(C(=O)N4C)C,0.0
41551,CO-ADD:0242586,3.69,c1(NC(CCC(O)=O)=O)sc(c(ccc2[N+](=O)[O-])n1)c2,0.0
41552,CO-ADD:0240420,3.69,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c(ccc3[N+](=O)[O-])o3)c4nonc4N,0.0
41553,CO-ADD:0244744,3.69,N(CN(CC1)CCN1C(OCC)=O)(N=C(N2c3ccccc3)c4ccccc4)C2=S,0.0
41554,CO-ADD:0284535,3.69,C(/C(C)=NN1c(ccc(c2C(O)=O)Cl)c2)(=C\c3cc(Br)cc(Br)c3OCC=C)\C1=O,0.0
41555,CO-ADD:0258956,3.69,N1(CCc(ccc(c2OC)OC)c2)C(=O)C(CC1=O)NCCc(cc3)ccc3OC,0.0
41556,CO-ADD:0258132,3.69,C1(C(=O)c2ccc(cc2)Br)=C(O)C(N(c3ccccc3)C1(O)C(OC)=O)=O,0.0
41557,CO-ADD:0241951,3.69,c1(c(cccc2NC(=O)c(cc(c(c3[N+](=O)[O-])C)[N+](=O)[O-])c3)c2)oc(c4n1)cccc4,0.0
41558,CO-ADD:0242040,3.69,S(=O)(=O)(c(ccc(c1C(=O)Nc2ccccn2)C)c1)N(CC3)CCO3,0.0
41559,CO-ADD:0242078,3.69,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])C)c1)N(CCN2C(=O)CN3CCCCC3)C2,0.0
41560,CO-ADD:0278826,3.69,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3Br,0.0
41561,CO-ADD:0277675,3.69,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2CCC#N)F,0.0
41562,CO-ADD:0277485,3.69,c1(NC(=O)c2ccccc2F)nnn(C)n1,0.0
41563,CO-ADD:0156209,3.69,[O-][N+](C1=CC([N+]([O-])=O)=CC(/C=N/C2=CC=CC3=CC=CN=C23)=C1O)=O,0.0
41564,CO-ADD:0156098,3.69,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)N/N=C/C3=CC=C(N(C)C)O3,0.0
41565,CO-ADD:0156106,3.69,OC(N(C1=CC=CC=C1)N=C2C)=C2/C=N/NC(COC(C=CC=C3)=C3C)=O,0.0
41566,CO-ADD:0158097,3.69,O=C(C1=CC=CC=C1)OC(C=C2)=CC=C2/C=N/NC(C3=CC(Br)=CC=C3)=O,0.0
41567,CO-ADD:0156881,3.68,O=C(C1=CC=CC(F)=C1)N(C2=CC=C(OCC)C=C2)C3=NC(C(F)(F)F)=C(C4=CC=CC5=CC=CC=C45)S3,0.0
41568,CO-ADD:0155258,3.68,CC([C@H]1C[C@H](C2)C3)[N@+]3(C[C@H]2C1)[B-]4(C[C@H]5C6)C[C@H]6C[C@H](C5)C4,0.0
41569,CO-ADD:0155043,3.68,N#CC1=C2N(N=C1)C(C(F)(F)F)=CC(C3=CC=CS3)=N2,0.0
41570,CO-ADD:0155051,3.68,C12=NON=C1/N=N/C3=NON=C3/N=N/C4=NON=C4/N=N/C5=NON=C5/N=N/2,0.0
41571,CO-ADD:0155339,3.68,FC(C=C1)=CC=C1/C=N/NC2=NN=NN2C3=CC=CC=C3,0.0
41572,CO-ADD:0160611,3.68,[O-][N+](C1=CC=C(CNCC2(CCCC2)C3=CC(OC)=C(OC)C=C3)C=C1)=O.Cl,0.0
41573,CO-ADD:0161560,3.68,C(COc(cc1)ccc1F)(=O)N\N=C\c(cc2)ccc2OCCCCCCCC,0.0
41574,CO-ADD:0161073,3.68,C(=C\c(ccc(c1OC)OC)c1)(/NC(c2ccccc2)=O)\C(=O)Nc3ccccc3OC,0.0
41575,CO-ADD:0161524,3.68,c12c(sc(CCCC3=O)c13)N=C(CCCCC4)N4C2=O,0.0
41576,CO-ADD:0160103,3.68,O=C(SC1NC2=C(C)C=C(C)C=C2)N(C3=CC=C(C)C=C3)C1=O,0.0
41577,CO-ADD:0159950,3.68,ClC1=CC(/C=N/NC2=NC(N3CCOCC3)=NC(NC4=CC=CC=C4)=N2)=CC=C1,0.0
41578,CO-ADD:0160409,3.68,O=S(N(C(C=C1)=CC=C1Cl)CC(NC(C(O)=O)CSSCC(C(O)=O)NC(CN(C(C=C2)=CC=C2Cl)S(=O)(C3=CC=CC=C3)=O)=O)=O)(C4=CC=CC=C4)=O,0.0
41579,CO-ADD:0160142,3.68,[O-][N+](C(C=C1)=CC=C1NC(COC2=C(C(C)C)C=CC(C)=C2)=O)=O,0.0
41580,CO-ADD:0155992,3.68,[O-][N+](C1=C(C)C=CC(C(SC2)NC2C(O)=O)=C1)=O,0.0
41581,CO-ADD:0156016,3.68,O=C1N(C(C=C2)=CC=C2C(OC)=O)C(C3=CC=CC=C3)SC1,0.0
41582,CO-ADD:0154971,3.68,N#CC(C(C(F)(F)F)=C1)=C(SC)N=C1C2=CC=CS2,0.0
41583,CO-ADD:0158659,3.68,O=C(NCCNC(C(C1=CC=CC=C1)C2=CC=CC=C2)=O)C(C3=CC=CC=C3)C4=CC=CC=C4,0.0
41584,CO-ADD:0155543,3.68,[O-][N+](C(C=C1)=CC(Cl)=C1N/C=C2C(N(C3=CC=CC(Cl)=C3)N=C/2C)=O)=O,0.0
41585,CO-ADD:0158647,3.68,S=C(NC1=O)NC(C1=CC2=CC=C(OC)C=C2)=O,0.0
41586,CO-ADD:0155391,3.68,O=C(OCC)C(C1=CC(O)=CC=C12)=C(C)N2CC,0.0
41587,CO-ADD:0163401,3.68,c1(c(OC)cc(c(\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c1)OC)[N+](=O)[O-],0.0
41588,CO-ADD:0163434,3.68,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(COc3ccc(cc3Cl)Cl)=O)o1,0.0
41589,CO-ADD:0163342,3.68,N(=C(/C)\c1ccc(cc1)C)/NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
41590,CO-ADD:0163961,3.68,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1I)C(NCCOC)=O,0.0
41592,CO-ADD:0155292,3.68,O=C(C1=CC=CC2=CC=CC=C12)NC3=CC(N=C(C4=CC=C(C=C4)C5=NC(C=C6NC(C7=CC=CC8=CC=CC=C78)=O)=C(C=C6)N5)N9)=C9C=C3,0.0
41593,CO-ADD:0155252,3.68,OC(C1=CC=CC=C1)(C2=CC=CC=C2)C#CC(O)C3=CC=C(C)O3,0.0
41594,CO-ADD:0160433,3.68,O=C(N/N=C/C1=CC=CC=C1OCC2=CC(Br)=CC=C2)C(CC3=CC=CC=C3)C(N/N=C/C4=CC=CC=C4OCC5=CC(Br)=CC=C5)=O,0.0
41595,CO-ADD:0155990,3.68,O=C1N=C(N/N=C/C2=CC=C(C=C2)N(C)C)SC1C,0.0
41596,CO-ADD:0160182,3.68,O=C(N/N=C/C1=CC=C(C=C1)N(C)C)CN2N=NC3=C2C=CC=C3,0.0
41597,CO-ADD:0156032,3.68,O=S(NC(CC1=CC=CC=C1)C(N/N=C/C2=CC=C(C(OCC)=C2)OCC3=CC=CC=C3)=O)(C4=CC=C(C)C=C4)=O,0.0
41598,CO-ADD:0161334,3.68,c(C(=O)c1ccc(cc1)Br)(sc(c23)nc(cc2c4cccs4)c5cccs5)c3N,0.0
41599,CO-ADD:0161503,3.68,[C@]1(C#N)(C#N)[C@@H](c2ccc(cc2)F)[C@@]3([H])C(C(C#N)=C1N)=CCCC3,0.0
41600,CO-ADD:0160624,3.68,C1(C2=CC(C#CC(C=C3)=CC=C3OC4=CC=CC=C4)=CC=C2)=NC5=C(C=CC=C5)N=C1C6=CC=CC(C#CC(C=C7)=CC=C7OC8=CC=CC=C8)=C6,0.0
41601,CO-ADD:0158547,3.68,O=C(NC1CCCCC1)C2=CC=CS2,0.0
41602,CO-ADD:0156368,3.68,O=C(C1=CC=CC(F)=C1)NCC(N/N=C/C2=CNN=C2C3=CC=CC=C3)=O,0.0
41603,CO-ADD:0156113,3.68,O=C(N/N=C/C1=CC=CC(OC)=C1)/C(NC(C2=CC=CC=C2)=O)=C\C3=CC=CS3,0.0
41604,CO-ADD:0156053,3.68,O=C(N1C2=CC=CC=C2)C(NC(C(C3=CC=CC=C3)C4=CC=CC=C4)=O)=C(C)N1C,0.0
41605,CO-ADD:0156161,3.68,N#CC(C1=O)=C(C)/C(C(N1C)=O)=C/NC2=CC=C(C=C2)C(C)=O,0.0
41606,CO-ADD:0156448,3.68,O=C(C)C1=CC=C2C(C(C3=CC(C(C)=O)=CC=C32)=CC4=CC=CC=C4)=C1,0.0
41607,CO-ADD:0163774,3.68,C(=S)(Oc(cccc1C(=O)Nc(cc2)ccc2I)c1)N(CC(C)C)CC(C)C,0.0
41608,CO-ADD:0163746,3.68,C(=O)(N\N=C/c1ccccc1OCCCCCC)c2cccc(Br)c2,0.0
41609,CO-ADD:0163899,3.68,C1(C2=C(CCCC2=O)O)C3=C(CCCC3=O)OC(CCCC4=O)=C14,0.0
41610,CO-ADD:0163713,3.68,C(=O)(N\N=C/c1ccccc1OCC=C)c2ccc(cc2)OCc(cc3)ccc3Cl,0.0
41611,CO-ADD:0163926,3.68,c1(cc(F)c(cc1Cl)F)C(=O)NC2CCCCCCC2,0.0
41612,CO-ADD:0163494,3.68,c1(ccc(\C=N\NC(COc2ccc(cc2Br)OC)=O)o1)Sc3ccc(\C=N\NC(COc4ccc(cc4Br)OC)=O)o3,0.0
41613,CO-ADD:0160030,3.68,N#CC1(C#N)C2N(C(C(OC3=CC=CC(Cl)=C3)=O)C1C4=CC=CC=C4)C(C=CC=C5)=C5C=C2,0.0
41614,CO-ADD:0160643,3.68,O=C(CCl)NCC1=C(C)C=C(CNC(CCl)=O)C(C)=C1,0.0
41615,CO-ADD:0161531,3.68,c(cc(Cl)cc1I)(\C=N\c(ccc(c2OC)OC)c2)c1O,0.0
41616,CO-ADD:0161275,3.67,n(c1c(CCC1)cc2C#N)c2SCC(OCc3ccccc3)=O,0.0
41617,CO-ADD:0161323,3.67,C1(C2c(ccc(c3[N+](=O)[O-])Cl)c3)=C(C=C(C)OC1=O)OC(N)=C2C#N.C(=O)O,0.0
41618,CO-ADD:0160121,3.67,NN1C(NC2=CC=CC=C2)=NN=N1,0.0
41619,CO-ADD:0155971,3.67,O=C(C1=C2C=CC(C(OCCC)=O)=C1)N(C(C=CC=C3)=C3C)C2=O,0.0
41620,CO-ADD:0158689,3.67,O=C(C1=CC=CC(OC)=C1)OC(C(OC)=C2)=CC=C2/C=N/NC(CNC(C3=CC(OC)=C(OC)C=C3)=O)=O,0.0
41621,CO-ADD:0158614,3.67,O=C(C1=C2C=CC(Br)=C1)N(C3=CC=CC=C3C(OCCCC)=O)C2=O,0.0
41622,CO-ADD:0158116,3.67,[O-][N+](C1=CC=CC(C(OC(C=C2)=CC=C2/C=N/NCC3=CC=CC=C3)=O)=C1)=O,0.0
41623,CO-ADD:0157364,3.67,O=C(COC(C=CC=C1)=C1OC)N/N=C/C2=C(OCC)C=CC(Br)=C2,0.0
41624,CO-ADD:0161136,3.67,c12c(ccc(c1)\C=N\NC(CCC(=O)Nc(cc3)ccc3Cl)=O)OCO2,0.0
41625,CO-ADD:0159806,3.67,O=C(CSC1=CC=CC=C1C)N/N=C\C2=C(C=CC=C3)C3=CC4=C2C=CC=C4,0.0
41626,CO-ADD:0158492,3.67,O=C1C(C=CC=C2)=C2N(CC(N/N=C/C(C=C3)=CC=C3C)=O)C4=C1C=CC=C4,0.0
41627,CO-ADD:0157837,3.67,O=C1/C(N=C(C(C=C2)=CC=C2I)O1)=C/C3=CC=C(C)O3,0.0
41628,CO-ADD:0157357,3.67,O=C(COC1=CC=C(OCCCCCCCC)C=C1)N/N=C/C2=CC=C(N(CC)CC)C=C2,0.0
41629,CO-ADD:0160129,3.67,[O-][N+](C1=CC(/C=C2C(N3C(S\2)=NC4=CC=CC=C34)=O)=CC=C1Br)=O,0.0
41630,CO-ADD:0156027,3.67,S=C(NC1=CC=C(C=C1)C(C)=O)NC(C2=CC=CN=C2)=O,0.0
41631,CO-ADD:0160185,3.67,O=C(N/N=C/C1=CC=C(N(CC)CC)C=C1)CN2N=NC3=C2C=CC=C3,0.0
41632,CO-ADD:0155482,3.67,O=C(C1=CC=CC=C1NC(/C=C/C2=CC=CO2)=O)NC3=CC(C(C4=CC=CC=C4)=NC(C(C=C5)=CC=C5NC(C6=CC=CC=C6NC(/C=C/C7=CC=CO7)=O)=O)=N8)=C8C=C3,0.0
41633,CO-ADD:0155506,3.67,O=C(C1/C(C(C=C2)=CC=C2C)=N\NC(C3=CC=CC=C3)=O)N(C4=CC=CC=C4)N=C1C,0.0
41634,CO-ADD:0163449,3.67,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\NC(=O)c(cccc3[N+](=O)[O-])c3)o2)Cl)c1,0.0
41635,CO-ADD:0162595,3.67,c1(s2)c(ccc(c3cccs3)n1)c(c2C#N)N,0.0
41636,CO-ADD:0162603,3.67,C(C(OCC)=O)(=C(CSc1nc(CC)c(cc1C#N)C)OC(=C2C#N)N)C2c3ccccc3OC,0.0
41637,CO-ADD:0162265,3.67,c1(N(CC2)CCO2)nc(N\N=C(\C)/c3ccc(cc3)Br)nc(Nc4cccc(Br)c4)n1,0.0
41638,CO-ADD:0162172,3.67,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5ccccc5Cl)OC,0.0
41639,CO-ADD:0162292,3.67,c1(N(CC2)CCO2)nc(N\N=C/c(cc3)ccc3I)nc(Nc4cccc(Br)c4)n1,0.0
41640,CO-ADD:0162236,3.67,c1(N(CC2)CCO2)nc(N\N=C(/C)\c(cc3)ccc3[N+](=O)[O-])nc(Nc4cccc(Br)c4)n1,0.0
41641,CO-ADD:0162340,3.67,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(CNc(cc2)ccc2C)=O,0.0
41642,CO-ADD:0157738,3.67,O=C(CCC(N/N=C/C1=CC=CO1)=O)NC2=C(C)C=C(I)C=C2,0.0
41643,CO-ADD:0157401,3.67,[O-][N+](C1=CC=CC(NC(C2=C(C)ON=C2C3=CC=CC=C3)=O)=C1)=O,0.0
41644,CO-ADD:0157455,3.67,O=C(NCC(N/N=C(C)\CC)=O)C1=CC=CC=C1Br,0.0
41645,CO-ADD:0158455,3.67,O=C1C2=C(N(N=C2)C3=CC=CC=C3)CC(C)(C)C1=C(C(C4=C5C=CC=C4)=O)C5=O,0.0
41646,CO-ADD:0156908,3.67,N#CC1=C(N)OC(C)=C(C(C)=O)C1C2=CC=CN=C2,0.0
41647,CO-ADD:0155349,3.67,O=C(CNC(C=C1)=CC=C1C)N/N=C(C)/C2=CC=C3C=CC=CC3=C2,0.0
41648,CO-ADD:0155304,3.67,S=C(OC1=CC=CC(C(NC2=CC(C=CC=C3)=C3C=C2)=O)=C1)NC4=CC=CC=C4OC,0.0
41649,CO-ADD:0155336,3.67,O=C(NC(C=CC=C1)=C1OC(C)C)C2=CC(OC)=C(OC)C(OC)=C2,0.0
41650,CO-ADD:0161141,3.67,c1(csc(\C=N\NC(=O)C(Oc2ccccc2)Oc3ccccc3)c1)[N+](=O)[O-],0.0
41651,CO-ADD:0161317,3.67,C(C#N)(C(c1ccc(c(Br)c1)F)[C@@H]([n+]2ccccc2)C(N3)=O)=C3[S-],0.0
41652,CO-ADD:0161333,3.67,c1(C#N)c(c2cccs2)cc(nc1SCC(OCc3ccccc3)=O)c4cccs4,0.0
41653,CO-ADD:0156036,3.66,[O-][N+](C1=CC(C(NC2=CC=C(C=C2)C(OCC3=CC=C(C=C3)[N+]([O-])=O)=O)=O)=CC=C1)=O,0.0
41654,CO-ADD:0160650,3.66,S=P(N1CC1)(N2CC2)N3C(C(Cl)(Cl)Cl)=NCC3,0.0
41655,CO-ADD:0158620,3.66,O=C(C1=C2C=CC=C1)N(C(C=C3)=CC=C3C(OCCCC)=O)C2=O,0.0
41656,CO-ADD:0158692,3.66,O=C(N/N=C/C1=CC=CC(I)=C1)COC2=C(C(C)C)C=C(Br)C(C)=C2,0.0
41657,CO-ADD:0155408,3.66,NC1=NON=C1/C(NCC2=CC=CC=C2)=N/O,0.0
41658,CO-ADD:0158669,3.66,[O-][N+](C1=CC=C(C(/C=N/NC(COC2=CC=C(Cl)C=C2)=O)=C1)N3CCOCC3)=O,0.0
41659,CO-ADD:0158533,3.66,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C\C3=CC=CC=C3O)=NC(N4CCCCC4)=N2)=O,0.0
41660,CO-ADD:0158541,3.66,FC(C(F)(F)C(F)(F)C(F)1F)(F)C(C(NC2=CC(C(F)(F)F)=CC=C2Cl)=O)(F)C1(F)F,0.0
41661,CO-ADD:0163491,3.66,c1(O)c(O)c(\C=N\NC(COc2ccc(cc2Br)OC)=O)cc(Br)c1O,0.0
41662,CO-ADD:0163775,3.66,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc(cc2)ccc2OCC,0.0
41663,CO-ADD:0163399,3.66,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
41664,CO-ADD:0163484,3.66,C(COc(cc1)ccc1OC)(=O)N\N=C\c(ccc(c2OCC(O)=O)OCC(O)=O)c2,0.0
41665,CO-ADD:0163788,3.66,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4[N+](=O)[O-],0.0
41666,CO-ADD:0163968,3.66,C(=O)(C\C(\C)=N\NC(OCc(cc1)ccc1OC)=O)Nc2ccc(cc2OC)OC,0.0
41667,CO-ADD:0155302,3.66,S=C(OC1=CC=CC(C(NC2=CC(C=CC=C3)=C3C=C2)=O)=C1)NC(C=C4)=CC=C4Br,0.0
41668,CO-ADD:0155254,3.66,FC1=CC(C(O)(C)C#CC2=CC=CC=C2)=CC=C1N3CCCCC3,0.0
41669,CO-ADD:0155646,3.66,O=C(C1=C2C=CC(OC3=CC=C(C=C3)NC(C)=O)=C1)N(C4=CC(C)=CC=C4)C2=O,0.0
41670,CO-ADD:0155401,3.66,O=C(C1=C2C=CC(OC3=CC=C(N)C=C3)=C1)N(C(C=C4)=CC=C4C)C2=O,0.0
41671,CO-ADD:0156214,3.66,[O-][N+](C(C=C1)=CC=C1C2=CC=C(O2)C3OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6N3)=O,0.0
41672,CO-ADD:0156480,3.66,[O-][N+](C1=CC([N+]2=NOC([O-])=N2)=CC=C1)=O,0.0
41673,CO-ADD:0156160,3.66,O=C(N/C(S/1)=N\N=C\C2=CC=C(N(C)C)C=C2)C1=C/C3=CC=CC=C3F,0.0
41674,CO-ADD:0163957,3.66,c1(cccc(cccc2)c12)NC(CSCc3ccccc3Cl)=O,0.0
41675,CO-ADD:0163913,3.66,C(=C\c(ccc(c1[N+](=O)[O-])N(CC)CC)c1)(/C2=O)\C(=O)NC(=O)N2,0.0
41676,CO-ADD:0156333,3.66,O=C1C(C=CC=C2)=C2N(CC(N/N=C/C3=CC=C(C(C(Cl)=C4)=CC=C4Cl)O3)=O)C5=C1C=CC=C5,0.0
41677,CO-ADD:0156389,3.66,N#CC(C(SCC(NC(C=C1)=CC=C1OC)=O)=N2)=C(C(C=C3)=CC=C3OC)C=C2C4=CC=CC=C4,0.0
41678,CO-ADD:0156278,3.66,O=C(C(C=C1)=CC=C1Cl)NC2=CC=C(C=C2)C3=NC(C=CC=C4)=C4S3,0.0
41679,CO-ADD:0155771,3.66,O=C(C1=CC(C(NC2=CC=C(Br)C=C2)=O)=CC=C1)NC(C=C3)=CC=C3Br,0.0
41680,CO-ADD:0160297,3.66,[O-][N+](C1=CC(/C=N/NC(CNC(C=CC=C2)=C2OC)=O)=C(N3CCCC3)C=C1)=O,0.0
41681,CO-ADD:0158336,3.66,O=C(COC(C=C1)=CC=C1F)N/N=C/C(C=CC=C2)=C2OCC3=CC=CC(Br)=C3,0.0
41682,CO-ADD:0159854,3.66,ClC1=NC(N(C2=CC=CC=C2)C3=CC=CC=C3)=NC(NC4CCCCC4)=N1,0.0
41683,CO-ADD:0159727,3.66,N#CC(C(SCC(OCC)=O)=N1)=C(C2=CC=C(OC)C=C2)C=C1C3=CC=CC=C3,0.0
41684,CO-ADD:0158317,3.66,O=C(C1=CC=C(F)C=C1)C2=COC(C=C3)=C2C=C3OC(C)=O,0.0
41685,CO-ADD:0157072,3.66,CC1(C)N2N1CN(CCCCN3CN4N(C(C)4C)C3)C2,0.0
41686,CO-ADD:0160567,3.66,[O-][N+](C1=CC(/C=N\NC(C(CC2=CC=CC=C2)C(N/N=C/C3=CC=C(OC(C(C(Cl)=C4)=CC=C4Cl)=O)C([N+]([O-])=O)=C3)=O)=O)=CC=C1OC(C5=C(Cl)C=C(Cl)C=C5)=O)=O,0.0
41687,CO-ADD:0159982,3.66,O=C(C1=CC=C(F)C=C1)NC(C=C2)=CC=C2/N=C/C(C(O)=C3)=CC=C3O,0.0
41688,CO-ADD:0159923,3.66,ClC(C=C1)=C(C=C1N)C2=NC(C=C3C)=C(C=C3)O2,0.0
41689,CO-ADD:0160427,3.66,[O-][N+](C(C=C1)=CC=C1/C(C)=N/NC(C(C=C2)=CC=C2NC(CCCCCC)=O)=O)=O,0.0
41690,CO-ADD:0160527,3.66,[O-][N+](C1=CC(/C=N/NC2=NC(N3CCOCC3)=NC(NC4=CC(C(F)(F)F)=CC=C4)=N2)=C(Cl)C=C1Cl)=O,0.0
41691,CO-ADD:0155396,3.66,O=C(NC(C=C1)=CC=C1NC(C2=CC=CS2)=O)C3=CC=CS3,0.0
41692,CO-ADD:0158552,3.66,O=C(NC1=CC=CC2=CC=CC=C12)NC3=C(Cl)C=CC(C(F)(F)F)=C3,0.0
41693,CO-ADD:0155508,3.66,O=C(C(C=C1)=CC=C1CC)CC(NC2=CC=C(Br)C=C2)C(C=C3OC)=CC=C3OC,0.0
41694,CO-ADD:0158656,3.66,O=C(NC1=C(C=CC=C2)C2=CC=C1)N3CCN(C)CC3,0.0
41695,CO-ADD:0156411,3.66,O=C(NC1=CC(C)=CC=C1C)[C@H]2C(C)(C)[C@@](CC2)(C)C(O)=O,0.0
41696,CO-ADD:0156084,3.66,OC(C=C1)=C(C2=C1C=CC=C2)/C=N/C3=CC=C(C=C3)C4=NC5=CC(C)=CC=C5O4,0.0
41697,CO-ADD:0156468,3.66,ClC1=C(C(Br)=C(O)C(/C=N/C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)=C1C)C,0.0
41698,CO-ADD:0154818,3.66,O=C(CC1=CC=CC=C1)NC2=NC(NC(CC3=CC=CC=C3)=O)=CC=C2,0.0
41699,CO-ADD:0156093,3.66,O=C1OC(C(C=CC=C2)=C2C)=N/C1=C/C3=CC=C(C(OCC)=C3)OC(C)=O,0.0
41700,CO-ADD:0156485,3.65,O=S(C1=CC(C(OC2=C(C=C(C)C=C2)N3N=C4C=CC=CC4=N3)=O)=CC=C1C)(N5CCCCC5)=O,0.0
41701,CO-ADD:0156109,3.65,OC(N(C1=CC=CC=C1)N=C2C)=C2/C=N/NC(COC3=CC(C)=CC=C3)=O,0.0
41702,CO-ADD:0162611,3.65,C(C(OCC)=O)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3ccccc3I,0.0
41703,CO-ADD:0162335,3.65,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(cc2)ccc2Br)c1,0.0
41704,CO-ADD:0162304,3.65,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(=O)c3cccc(Cl)c3)o1,0.0
41705,CO-ADD:0162689,3.65,C(O1)(\C(\C2)=C\c(ccs3)c3)=C(CN2Cc4ccccc4)C(C(C#N)=C1N)c(ccs5)c5,0.0
41706,CO-ADD:0156475,3.65,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCC(N/N=C/C3=CNN=C3C4=CC=CC=C4)=O,0.0
41707,CO-ADD:0156339,3.65,O=C1/C(C2=CC(C)=CC=C2N1C)=N\NC(C(C=CC=C3)=C3Br)=O,0.0
41708,CO-ADD:0157456,3.65,O=C(OC1=C2C=CC(Br)=C1)N2C(C3=C(C=CC=C4)C4=CC=C3)=O,0.0
41709,CO-ADD:0158066,3.65,O=C(C1=CC(OC)=CC=C1)NN=C2CCCCCCCCCCC2,0.0
41710,CO-ADD:0157690,3.65,[O-][N+](C1=CC2=C(C=C1)N=C(SCC(N(CC)CC)=O)S2)=O,0.0
41711,CO-ADD:0158118,3.65,[O-][N+](C1=CC(/C=N/NC(COC2=CC=CC=C2[N+]([O-])=O)=O)=CC=C1OC)=O,0.0
41712,CO-ADD:0156910,3.65,N#CC1(C#N)C(N)=C(C2=CCCC[C@@]2([H])[C@@H]1C3=CC=CS3)C#N,0.0
41713,CO-ADD:0157446,3.65,O=S(NCCOC1=C(C(C)C)C=CC(C)=C1)(C)=O,0.0
41714,CO-ADD:0158047,3.65,FC(F)(F)C1=C(C2=CC=C(Cl)C=C2)SC(/N=C/C3=CC=CC(OC)=C3)=N1,0.0
41715,CO-ADD:0161521,3.65,S1(=O)(=O)c(cccc2)c2C(SCCO)=N1,0.0
41716,CO-ADD:0159804,3.65,ClC1=CC(N(C(C(C=C2OC)=CC=C2OC)C3)N=C3C4=CC=C(Cl)C=C4)=CC=C1,0.0
41717,CO-ADD:0155977,3.65,OC(C=C1)=C(C=C1/N=C\C(C=C2)=CC=C2OCC3=CC=CC=C3)C4=NC(C=C5)=C(C=C5C)O4,0.0
41718,CO-ADD:0161142,3.65,C(CNc1cccc(C)c1)(=O)N\N=C\c2cccc(OC)c2O,0.0
41719,CO-ADD:0160207,3.65,ClC1=CC(C2=CC=C(/C=N/C3=CC=C4C(N=C(C5=CC=NC=C5)O4)=C3)O2)=CC=C1Cl,0.0
41720,CO-ADD:0154837,3.65,[O-][N+](C1=CC(/C=N/NC(C(N/N=C/C2=CC=C(OC(C(C=C3)=CC=C3OC)=O)C([N+]([O-])=O)=C2)=O)=O)=CC=C1OC(C4=CC=C(OC)C=C4)=O)=O,0.0
41721,CO-ADD:0154916,3.65,N#CC([C@H](C(C=CC=C1)=C1I)[C@H]2C(C3=CC=CC=C3)=O)(C#N)[C@]4([H])N2C5=CC=CC=C5C=C4,0.0
41722,CO-ADD:0154927,3.65,N#CC1=C(N)C(C(C(F)(F)F)=CC(C2=CC=CS2)=N3)=C3S1,0.0
41723,CO-ADD:0154959,3.65,O=C(NC1=CC=C(Cl)C=C1)NC2=NC(C)=C(CC(Cl)(Cl)Cl)S2,0.0
41724,CO-ADD:0156163,3.65,[O-][N+](C1=CC(C)=CC=C1OC2=CC=C(C3=C2C=CC=C34)C(N(C)C4=O)=O)=O,0.0
41725,CO-ADD:0156387,3.65,[O-][N+](C1=CC=CC=C1NCCNC(C(C(Cl)=C2)=CC(F)=C2F)=O)=O,0.0
41726,CO-ADD:0156296,3.65,N#CC1=C(/N=C/C2=CC(Br)=C(C(Br)=C2O)O)SC3=C1CCCC3,0.0
41727,CO-ADD:0155665,3.65,[O-][N+](C1=CC(NC(C(C(Cl)=C2)=CC=C2Cl)=O)=CC(OC(C=C3)=CC=C3Br)=C1)=O,0.0
41728,CO-ADD:0155681,3.65,O=C(C1=CC(OC)=C(OC)C=C1)NCC(N/N=C/C2=CC=C(O2)C3=C(Cl)C=CC(Cl)=C3)=O,0.0
41729,CO-ADD:0160587,3.65,C(C(C=C1)=CC=C1/N=C/C2=CC=C(C=C2)C#CC3=CC=CC=C3)(C=C4)=CC=C4/N=C/C5=CC=C(C=C5)C#CC6=CC=CC=C6,0.0
41730,CO-ADD:0157833,3.65,OC1=C(C)C=CC(/N=C/C2=C(O)C=CC(Cl)=C2)=C1,0.0
41731,CO-ADD:0160004,3.65,O=C1CC(C2=CC=CC=C2)C(C3=CC=CC=C3)C(C)1Cl,0.0
41732,CO-ADD:0159868,3.65,O=C(OCC)C1=C(O)C(C=C2OC(C=C3)=CC=C3Cl)=C(C=C2Cl)N=C1,0.0
41733,CO-ADD:0160231,3.65,O=C(CCCCCCC)N/N=C/C1=CSC2=C1C=CC=C2,0.0
41734,CO-ADD:0156034,3.65,O=C(C(C=C1)=CC=C1/N=C/C2=CC=CC(OC3=CC=CC=C3)=C2)NC4=CC=CC=C4C,0.0
41735,CO-ADD:0154929,3.65,N#CC1=C(N)OC(C)=C(C(OCC)=O)C1C2=CC(Cl)=C(Cl)C=C2,0.0
41736,CO-ADD:0154769,3.65,O=S(NC(C)=O)(C(C=C1)=CC=C1N/N=C/C(C)=C2C(N(C3=CC=CC=C3)N=C/2C)=O)=O,0.0
41737,CO-ADD:0158708,3.65,S=C(N)N/N=C1C2=NC3=NON=C3N=C2C4=CC=CC=C\14,0.0
41738,CO-ADD:0155616,3.65,O=C(CSC1=CC=CC=N1)N/N=C/C2=CNC3=C2C=CC=C3,0.0
41739,CO-ADD:0155830,3.65,N#C/C(C1=NC(C=C2)=C(C=C2C)N1)=C\C3=CC=C(C4=C(Cl)C=CC([N+]([O-])=O)=C4)O3,0.0
41740,CO-ADD:0157730,3.65,[O-][N+](C1=CC(C(N/N=C(C)/CC(NC2=NC=CC=C2)=O)=O)=CC(N)=C1)=O,0.0
41741,CO-ADD:0157386,3.65,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC(Cl)=CC([N+]([O-])=O)=C3O)=C(C)N1C,0.0
41742,CO-ADD:0157410,3.65,O=C(COC(C(Br)=C1)=CC=C1C)N/N=C/C2=CC=C3C=CC=CC3=C2,0.0
41743,CO-ADD:0158071,3.65,O=S(NCC(NCC(NCCOC)=O)=O)(C1=CC=C(Cl)C=C1)=O,0.0
41744,CO-ADD:0155191,3.65,FC1=C(C)C=C(C=C1)C2=CSC(N/N=C/C3=CC=CC(OC)=C3)=N2.Br,0.0
41745,CO-ADD:0155680,3.65,[O-][N+](C(C=C1)=CC=C1C(OC(C=C2)=CC=C2/C=N/NC(C3=NNC(C4=CC=CC=C4)(C5=CC=CC=C5)C3)=O)=O)=O,0.0
41746,CO-ADD:0155713,3.65,O=C(NC/1=O)N(C2=CC=C(OCC)C=C2)C(C1=C/NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)=O,0.0
41748,CO-ADD:0160023,3.65,ClC1=CC(Cl)=CC=C1/C=N/C2=CC(C3=NC(C=C4)=C(C=C4C)O3)=C(Cl)C=C2,0.0
41749,CO-ADD:0160556,3.65,O=C(N/N=C/C1=CC=C(C)O1)C2=CC=CC(C(N/N=C/C3=CC=C(C)O3)=O)=N2,0.0
41750,CO-ADD:0159879,3.65,O=C(OCC)C1=C(NC(CSC2=NC(C=CC=C3)=C3N2)=O)SC4=C1CCCC4,0.0
41751,CO-ADD:0159736,3.65,[O-][N+](C1=CC(C(C2=CC=C3C(N(NC(C4=CC=NC=C4)=O)C(C3=C2)=O)=O)=O)=CC=C1)=O,0.0
41752,CO-ADD:0155493,3.65,O=C(N/N=C(C)/C1=C(OC)C=C(OC)C=C1)C2=CC(Br)=CN=C2,0.0
41753,CO-ADD:0155547,3.65,NC1=NON=C1N=NC2=CC=C(C(/C=N/C3=CC(C(O)=O)=CC=C3)=C2)O,0.0
41754,CO-ADD:0155395,3.65,O=C(C1=CC=C(Br)C=C1)/C(CC)=N\O,0.0
41755,CO-ADD:0154940,3.65,N#CC1=C(N)OC(NN=C2C)=C2C1C3=CC(I)=CC=C3,0.0
41756,CO-ADD:0154964,3.65,O=S(C1=C(Cl)N(N=C1)C2=CC=CC=C2)(N3CCCC3)=O,0.0
41757,CO-ADD:0154980,3.64,N#CC1=C(SCC(O)=O)N=C(C)C=C1C(F)(F)F,0.0
41758,CO-ADD:0158746,3.64,ClC1=C(O)C(/C=N/C2=CC(N=C(C3=CC=CC(C)=C3)O4)=C4C=C2)=CC(Cl)=C1,0.0
41759,CO-ADD:0156249,3.64,ClC1=CC(Cl)=CC(/C=N/C2=CC(OC)=C(OC)C=C2)=C1O,0.0
41760,CO-ADD:0156281,3.64,O=C(C1N2CCN(CC3=CC=CC=C3)CC2)N(C(C=C4)=CC=C4OCC)C(C1)=O,0.0
41761,CO-ADD:0156260,3.64,ClC1=CC(Cl)=CC(/C=N/C2=CC=C(C(Cl)=C2)OC)=C1O,0.0
41762,CO-ADD:0155604,3.64,O=C(C1=CC(C)=CC=C1)NC2=CC=C(C=C2)C(NCCCCCCCCCCC)=O,0.0
41763,CO-ADD:0158760,3.64,O=C(N/N=C/C1=C(O)C=CC(Br)=C1)CC2=NN=C(N)S2,0.0
41764,CO-ADD:0155633,3.64,S=C(OC1=CC=C(C=C1)C(NC(C=C2)=CC=C2C)=O)N3CCCCC3,0.0
41765,CO-ADD:0158087,3.64,O=C(C1=CC=NC=C1)N/N=C(C)/CC(NC2=CN=CC=C2)=O,0.0
41766,CO-ADD:0156919,3.64,O=C(O1)C=C(C)C2=C1C=CC(OC(CSC3=NC(C)=CC(C)=N3)=O)=C2,0.0
41767,CO-ADD:0156935,3.64,[O-][N+](C1=CC2=NC(C3=CC=CO3)=C(C4=CC=CO4)N=C2C=C1)=O,0.0
41768,CO-ADD:0157436,3.64,O=C(N(C)CCOC1=CC=CC=C1)C2=CC=C3CCC4=CC=CC2=C43,0.0
41769,CO-ADD:0155010,3.64,N#CC(C(C)=C1)=C(SCC(C2(C[C@H]3C4)C[C@H]4C[C@H](C3)C2)=O)NC1=O,0.0
41770,CO-ADD:0159948,3.64,ClC(C=C1)=CC=C1/C=N\NC2=NC(NC3=CC=CC=C3)=NC(NC4=CC=C(OC)C=C4)=N2,0.0
41771,CO-ADD:0160460,3.64,O=C(N)N(CC1=CC=CC=C1)C(C)C2CC2,0.0
41772,CO-ADD:0159752,3.64,S=C(O1)N(CN2CCCCC2)C3=C1C=C(Cl)C=C3,0.0
41773,CO-ADD:0160413,3.64,[O-][N+](C([N+]([O-])=O)(CC1)CN(C1=O)CCCCN(C2=O)CC([N+]([O-])=O)(CC2)[N+]([O-])=O)=O,0.0
41774,CO-ADD:0163631,3.64,c(\C=N\NC(COc1ccc(cc1Br)OC)=O)(cc(Br)cc2Br)c2OC,0.0
41775,CO-ADD:0163272,3.64,C1(C(c2cccc(O)c2)C3=C(C)N(N(c4ccccc4)C3=O)C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
41776,CO-ADD:0163568,3.64,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(ccc(c2OCC)O)c2,0.0
41777,CO-ADD:0163584,3.64,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(=O)CC#N,0.0
41778,CO-ADD:0163072,3.64,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cccc2C(C)=O)c2)c3c(OC)ccc(OC)c3,0.0
41779,CO-ADD:0163664,3.64,C(=O)(O\N=C(/C)\c1ccccc1)Nc2cccc(OCC)c2,0.0
41780,CO-ADD:0160608,3.64,O=C(N1C2=CC=CC=C2)C(NC(C3=CC(NC(N3)=O)=O)=O)=C(C)N1C,0.0
41781,CO-ADD:0159832,3.64,ClC1=CC=CC(N(C(C(C=C2)=CC=C2Br)C3)N=C3C(C=C4)=CC=C4OC)=C1,0.0
41782,CO-ADD:0159888,3.64,BrC1=CC(/C=N/NC2=NC(NC3=CC=CC=C3)=NC(NC4=CC=C(OC)C=C4)=N2)=CC=C1,0.0
41783,CO-ADD:0154815,3.64,SC1=NN=C(C2=CC=C(OC)C=C2)O1,0.0
41784,CO-ADD:0155770,3.64,O=C(C1=CC(NC(C(C=C2)=CC=C2NC(CCCCCCCCC)=O)=O)=CC=C1)N3CCCCC3,0.0
41785,CO-ADD:0155615,3.64,N#CC(C(C)=C1)=C(SCC(NC(C=CC=C2)=C2I)=O)N=C1C(F)(F)F,0.0
41786,CO-ADD:0158763,3.64,FC1=CC=C(C=C1)C(O2)=NC3=C2C=CC(/N=C/C(C=C4)=CC=C4OCC5=CC=CC=C5)=C3,0.0
41787,CO-ADD:0154796,3.64,O=C(C1=CC(C2=O)=C3C(N2CCOC4=CC(OC)=CC=C4)=O)N(CCOC5=CC(OC)=CC=C5)C(C1=C3)=O,0.0
41788,CO-ADD:0155916,3.64,[O-][N+](C1=C2N(N=C1)C(C(F)(F)F)=CC(C)=N2)=O,0.0
41789,CO-ADD:0163112,3.64,C1(=C(O)CC(C)(C)CC1=O)C(C2C(=O)CC(CC2=O)(C)C)c(ccc3[N+](=O)[O-])s3,0.0
41790,CO-ADD:0163289,3.64,c1(cc(\C=N\NC(=O)c(cccn2)c2)cc(OC)c1O)[N+](=O)[O-],0.0
41791,CO-ADD:0163041,3.64,N(c1ccccn1)C(CCCCC(=O)Nc2ccccn2)=O,0.0
41792,CO-ADD:0155504,3.64,O=C1N(C(C=C2)=CC=C2[N+]([O-])=O)C(CN3CCOCC3)=NC4=CC=C(Cl)C=C14,0.0
41793,CO-ADD:0156118,3.64,O=C(C1=CC=C(Cl)C=C1)OC2=C(/C=N/NC3=CC=CC(C)=C3)C4=CC=CC=C4C=C2,0.0
41794,CO-ADD:0156350,3.64,O=C(/C1=C/C2=CC=C(C=C2)N3CCOCC3)N(NC1=O)C4=CC(C)=C(C)C=C4,0.0
41795,CO-ADD:0156174,3.64,O=C(C1=CC(OC)=C(OC)C=C1)N/N=C(C)/C2=CC(N)=CC=C2,0.0
41796,CO-ADD:0158581,3.64,S=C(N(C1=CC=CC=C1)C/2=O)N(C3=CC=C(C)C=C3)C(C2=C\C4=C(C=CC=C5)C5=CC6=C4C=CC=C6)=O,0.0
41797,CO-ADD:0155518,3.64,O=C(NC1=CC=CC=C1C(C=CC=C2)=C2NC(C3CC3CCC(C)C)=O)C4CC4CCC(C)C,0.0
41798,CO-ADD:0158651,3.64,O=C(OCC)C1=C(C)N(C2=C1C=C(OC(C)=O)C(Br)=C2)C3=CC=CC=C3,0.0
41799,CO-ADD:0154866,3.64,N#CC1=C(N)OC(NN=C2C)=C2C1C3=CC([N+]([O-])=O)=CS3,0.0
41800,CO-ADD:0156343,3.64,O=C1/C(C2=CC(C)=CC=C2N1C)=N\NC(COC(C(Cl)=C3)=C(Cl)C=C3Cl)=O,0.0
41801,CO-ADD:0156167,3.64,O=C(N(C1=CC=CC=C1)N=C/2C)C2=C/NC3=C(Cl)C=C(Cl)C=C3Cl,0.0
41802,CO-ADD:0155639,3.64,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC3=CC=C(C=C3)C(C=C4)=CC=C4NC(C(C5=CC=CC=C5)C6=CC=CC=C6)=O,0.0
41803,CO-ADD:0155784,3.64,O=C(OC)C1=NNC=C1,0.0
41804,CO-ADD:0155800,3.64,O=C(N(C1=CC=CC=C1)CCN(C2=CC=CC=C2)C(C3C4CCCCC34)=O)C5C6CCCCC56,0.0
41805,CO-ADD:0155159,3.64,[O-][N+](C1=CC(C)=CC(/C=N/C2=CC(OCCO3)=C3C=C2)=C1O)=O,0.0
41806,CO-ADD:0155167,3.64,O=CC1=CC2=C(C=C1)N(CC(C(C)=C3)=CC=C3C)C4=C2C=CC=C4,0.0
41807,CO-ADD:0155872,3.64,O=C(N(C1CCCCC1)C2CCCCC2)C(C=CC=C3)=C3C(NC(CC(C)C)C(OCCCC)=O)=O,0.0
41808,CO-ADD:0155756,3.64,S=C(N(CC)CC)OC1=CC(C(NC(C=C2)=CC=C2C)=O)=CC=C1,0.0
41809,CO-ADD:0155124,3.64,O=C(C(C=C1)=CC=C1Cl)NC2=CC=C(C=C2)C(N/N=C/C3=CC=CO3)=O,0.0
41810,CO-ADD:0155135,3.63,O=C(COC1=CC(C)=CC=C1C(C)C)N/N=C/C2=CC=C(O2)C3=C(Cl)C=C(Cl)C=C3,0.0
41811,CO-ADD:0158083,3.63,[O-][N+](C(C=C1)=CC=C1/C=N/NC(CN(C)C2=CC=CC=C2)=O)=O,0.0
41812,CO-ADD:0154997,3.63,N#CC(C(C(F)(F)F)=C1)=C(SCC(C2CC2)=O)N=C1C3=CC=CS3,0.0
41813,CO-ADD:0160565,3.63,O=C(NC(C)C)CC(N/N=C/C1=CC2=C(C=C1Br)OCO2)=O,0.0
41814,CO-ADD:0160536,3.63,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1OC(C=C2)=CC=C2/C=N/C3=C(O)C=CC(CC4=CC=C(O)C(/N=C/C5=CC=C(C=C5)OC(C([N+]([O-])=O)=C6)=CC=C6[N+]([O-])=O)=C4)=C3)=O,0.0
41815,CO-ADD:0159928,3.63,O=C(C(C=C1)=CC=C1OCCCCCC)OC2=CC=C(C=C2)C3=CC=CC(C(C=C4)=CC=C4OC(C5=CC=C(OCCCCCC)C=C5)=O)=N3,0.0
41816,CO-ADD:0159976,3.63,CC(C=C(C=C1)C(C=C2)=CC(C)=C2/N=C/C3=CC=CC(OC)=C3)=C1/N=C/C4=CC=CC(OC)=C4,0.0
41817,CO-ADD:0157069,3.63,N#CC(C(C1=CC=CC=C1)C(N2C(N)=NN=N2)=C(C3=CC=CC=C3)O4)=C4N,0.0
41818,CO-ADD:0158796,3.63,O=C(NC1=CC(OCO2)=C2C=C1)C3(C[C@H]4C5)C[C@H]5C[C@H](C4)C3,0.0
41819,CO-ADD:0159933,3.63,CC1=CC=C(C=C1)N2C(C3=CC=C(OCCCC)C=C3)N(C(C=C4)=CC=C4C)CC2,0.0
41820,CO-ADD:0160338,3.63,BrC1=CC=C(C=C1)C2=NC3=C(C(C=CC=C4)=C4C=C3)C5=C2CCC5,0.0
41821,CO-ADD:0160410,3.63,O=C(C/C(C)=N/NC(COC1=C(Br)C=C(Br)C(C)=C1)=O)NC2[C@H]3C[C@H](C4)C[C@@H]2C[C@H]4C3,0.0
41822,CO-ADD:0163113,3.63,C(C1)(CN(C2)CN3CN12)(C3)\C(\c4ccccc4)=N/N=C/c(cc5)cc(c56)ccc(OC)c6,0.0
41823,CO-ADD:0163514,3.63,C(=N/NC(COc1c(Br)cc(c(Cl)c1Br)Br)=O)(/c(cc(C)cc2)c2N3C)\C3=O,0.0
41824,CO-ADD:0163306,3.63,C(=O)(NCC(=O)N\N=C(/C)\c1ccc(c(OC)c1)OC)c2ccco2,0.0
41825,CO-ADD:0163050,3.63,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)Nc3c(cccc3Cl)Cl)c4ccccc4,0.0
41826,CO-ADD:0159729,3.63,C#CCOC1=CC=CC=C1/C=N/NC(CCCCCCCCC(N/N=C/C2=CC=CC=C2OCC#C)=O)=O,0.0
41827,CO-ADD:0159777,3.63,O=C(OC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2)C4=CC=CC=C4Br,0.0
41828,CO-ADD:0154965,3.63,O=S(C1=C(Cl)N(N=C1)C2=CC=CC=C2)(NCCCC)=O,0.0
41829,CO-ADD:0156175,3.63,O=C(COC1=C(Cl)C=C(Cl)C=C1)N/N=C/C2=CC(OC)=C(OCC=C)C=C2,0.0
41830,CO-ADD:0156223,3.63,O=C(O/N=C1C2=C(OCC/1)C=C(OC)C=C2)C3=CC=CS3,0.0
41831,CO-ADD:0154806,3.63,O=C(C1=CN=CC=C1)NC2=C(C=CC=C3)C3=CC=C2,0.0
41832,CO-ADD:0155274,3.63,O=C(N1C(CNC(C2CCCCC2)=O)C(C=CC=C3)=C3CC1)C4=C(N)C(C=C5)=C(N=C5C6=CC=CS6)S4,0.0
41833,CO-ADD:0155911,3.63,N#CC1=C(SCC(C=CC=C2)=C2F)NC(C)=C(C(C)=O)[C@H]1C(C=CC=C3)=C3[N+]([O-])=O,0.0
41834,CO-ADD:0155881,3.63,O=C(CCC1=O)N1[C@@H](C2)[C@@H](CO3)O[C@@H]3C2=O,0.0
41835,CO-ADD:0155905,3.63,N#CC1=C(N)OC(NC(N2)=O)=C(C2=O)C1C3=CC=C([N+]([O-])=O)S3,0.0
41836,CO-ADD:0155937,3.63,O=C(SC1NC(C=C2)=CC=C2OCC)N(C3=CC=C(C)C=C3)C1=O,0.0
41837,CO-ADD:0155945,3.63,O=C(C)N1N=C(OC1C2=CC=C(Br)C=C2)C3=CC=CC=C3,0.0
41838,CO-ADD:0155273,3.63,O=C(NC1=CC=C(C(C=C2)=CC=C2NC(C(F)(F)C(F)(F)OC(F)(F)F)=O)C=C1)C(F)(F)C(F)(F)OC(F)(F)F,0.0
41839,CO-ADD:0155021,3.63,N#CC1=C([S-])NC(C2=CC=CC=C2)(O)C([N+]3=CC=CC=C3)C1C(C=CC=C4)=C4Br,0.0
41840,CO-ADD:0155725,3.63,S=C(N(C1=CC=CC=C1)C(C2=CNC3=C(C)C(C)=CC=C3)=O)N(C4=CC=CC=C4)C2=O,0.0
41841,CO-ADD:0157709,3.63,O=C(C1=C(C)C=C(C)C=C1)C2=C(N)C3=C(C4=CC=C(OC)C=C4)C=C(C5=CC=CC=C5)N=C3S2,0.0
41842,CO-ADD:0155706,3.63,O=C1C2=C(CC(C)(C)C1)OC(CC3(C)C)=C(C(C3)=O)C2C4=CC(OC)=C(C(Cl)=C4)O,0.0
41843,CO-ADD:0155714,3.63,O=C(CC1CCC1)NC2=CC(Cl)=C(C)C=C2,0.0
41844,CO-ADD:0155299,3.63,N#CC1=C(C)C(CC)=C(NC)N2C1=NC3=C2C=CC=C3,0.0
41845,CO-ADD:0158348,3.63,[O-][N+](C1=CC(/C(C(N2)=O)=N\C(C=CC=C3)=C3OC)=C2C=C1)=O,0.0
41846,CO-ADD:0158356,3.63,O=C(C1=CC(/N=C/C2=CC=C(C(OC)=C2)OC)=CC=C1)N(C3=CC=CC=C3)C4=CC=CC=C4,0.0
41847,CO-ADD:0158382,3.63,OC(C=C(O)C=C1)=C1/C=N/N=C2C3=NON=C3CCC/2,0.0
41848,CO-ADD:0160434,3.62,O=C(CNC1=CC=CC(C)=C1)N/N=C/C(C=C2)=CC=C2OCC,0.0
41849,CO-ADD:0160260,3.62,O=C(N/N=C/C1=CC=C(F)C=C1)CN2N=NC3=C2C=CC=C3,0.0
41850,CO-ADD:0159901,3.62,O=C(C1=CC(C(O)=O)=CC=C21)N(C(C=C3Br)=CC(Cl)=C3N)C2=O,0.0
41851,CO-ADD:0161590,3.62,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2ccc(cc2C)C)=O)N(CCCC)CC)c1,0.0
41852,CO-ADD:0154763,3.62,O=C(C1=CC=C(F)C=C1)OC(C2=CC=CC=C2)CNC(C3=CC=C(F)C=C3)=O,0.0
41853,CO-ADD:0155866,3.62,O=C(C(C=CC=C1)=C1C)N(C(C=C2)=CC=C2OCC)C3=NC(C4=CC=CC=C4)=C(CCC)S3,0.0
41854,CO-ADD:0155890,3.62,O=C(C1=C2C=CC=C1)N([C@@H](C3)[C@@H](CO4)O[C@@H]4C3=O)C2=O,0.0
41855,CO-ADD:0155173,3.62,C(N=C(C(C=C1)=CC=C1OCC2=CC=CC=C2)N3)(C4=CC=CC=C4)=C3C5=CC=CC=C5,0.0
41856,CO-ADD:0155909,3.62,N#CC1(C#N)C(N)=C(C2=CCN(C(C)C)C[C@]2([H])[C@H]1C3=CC=CC=C3Cl)C#N,0.0
41857,CO-ADD:0155930,3.62,N#CC1=C(/N=C/C2=CC=C(C3=C(Cl)C=CC([N+]([O-])=O)=C3)O2)SC4=C1CCCC4,0.0
41858,CO-ADD:0158414,3.62,[O-][N+](C1=CC(C(NC2=CC=C(C=C2)C(N(CC)C3=CC=CC=C3)=O)=O)=CC([N+]([O-])=O)=C1)=O,0.0
41859,CO-ADD:0156422,3.62,O=C(OC)NC(C=C1)=CC=C1CC2=CC=NC=C2,0.0
41860,CO-ADD:0157397,3.62,[O-][N+](C(C=C1)=CC=C1/C=N/OC(NC2=CC=CC(Cl)=C2)=O)=O,0.0
41861,CO-ADD:0157405,3.62,[O-][N+](C(C=C1)=CC=C1/C=N/OC(NC2=CC=C(Br)C=C2)=O)=O,0.0
41862,CO-ADD:0156960,3.62,N#CC1=C(SC/C=C/C2=CC=CC=C2)N=C(C)C=C1C,0.0
41863,CO-ADD:0160496,3.62,[O-][N+](C1=CC=CC=C1C(N/N=C\C2=CC=C(SC3=CC=CC=N3)O2)=O)=O,0.0
41864,CO-ADD:0155989,3.62,O=C(C1)N(C2=CC=C(C)C=C2)CC1C(NC3=C(C)C=CC(Cl)=C3)=O,0.0
41865,CO-ADD:0160187,3.62,O=C(N/N=C(C)/C1=CC=C(Br)C=C1)CN2N=NC3=C2C=CC=C3,0.0
41866,CO-ADD:0157358,3.62,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)N/N=C/C3=C(C)N(C4=C3C=CC=C4)C,0.0
41867,CO-ADD:0158430,3.62,O=C(NNC(C1=CC=C(Br)C=C1)=O)C2=CC=CC=C2Br,0.0
41868,CO-ADD:0158417,3.62,O=C(NC1=CC=C(C=C1)C(N/N=C/C2=C(O)C=C(N(CC)CC)C=C2)=O)C(C=CC=C3)=C3Br,0.0
41869,CO-ADD:0160491,3.62,N#CC1=C(SC)NC(C)=C(C(NC(C=CC=C2)=C2OC)=O)C1C3=CC=CO3,0.0
41870,CO-ADD:0160550,3.62,[O-][N+](C1=C(N2CCN(C3=CC=CC=C3)CC2)C(C=CC=C4)=C4SC1=O)=O,0.0
41871,CO-ADD:0159926,3.62,[O-][N+](C1=CC=CC=C1/C=N/C2=CC(N=C(C3=CC=CC(C)=C3)O4)=C4C=C2)=O,0.0
41872,CO-ADD:0155975,3.62,CN1C(SCC2=CC=C(OC)C=C2)=NN=C1,0.0
41873,CO-ADD:0160165,3.62,CC1=CC2=C(C=C1)N=C(C(C=C3)=CC=C3/N=C/C4=CC=CC=C4)S2,0.0
41874,CO-ADD:0161620,3.62,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(O)c2ccccc2,0.0
41875,CO-ADD:0155094,3.62,N#CC([C@H](C1=CC(I)=CC=C1)[C@H]2C(C)=O)(C#N)[C@]3([H])N2C(C=CC=C4)=C4C=C3,0.0
41876,CO-ADD:0155270,3.62,O=C1NC(C=CC=C2)=C2SC1CC,0.0
41877,CO-ADD:0158435,3.62,O=C(C1CCCCC1)NC(C=C2)=CC=C2OCC,0.0
41878,CO-ADD:0155746,3.62,O=C(NC1=NC(NC(C2=C(C)ON=C2C3=CC=CC=C3)=O)=CC=C1)C4=C(C)ON=C4C5=CC=CC=C5,0.0
41879,CO-ADD:0158425,3.62,O=C(C(C=C1)=CC=C1NC(C(CCCC)CC)=O)N(C2=CC=CC=C2)C3=CC=CC=C3,0.0
41880,CO-ADD:0158217,3.62,O=S(N(C(C=C1C)=CC=C1C)CC(N/N=C/C2=CC=C(C=C2)OC(C3=CC=CC=C3)=O)=O)(C4=CC=CC=C4)=O,0.0
41881,CO-ADD:0158473,3.61,O=S(NC1=CC=CC=N1)(C2=CC(C(C(C=C3)=CC=C3Br)=O)=CC=C2C)=O,0.0
41882,CO-ADD:0158794,3.61,O=C(O)C(NCC(O)=O)CC(C1=CC=C(C)C=C1)=O,0.0
41883,CO-ADD:0156301,3.61,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C\C3=CC=C(C(O)=C3)OC)=NC(NC4=CC=CC=C4)=N2)=O,0.0
41884,CO-ADD:0156317,3.61,O=C(C1=CC(F)=CC=C1)NCC(N/N=C(C)/C2=CC=C(C=C2)N(C)C)=O,0.0
41885,CO-ADD:0158729,3.61,O=S(C(C(S(=O)(CC)=O)=C(C(C1=CC=C(Cl)C=C1)=O)N2C=C3)=C2C4=C3C=CC=C4)(CC)=O,0.0
41886,CO-ADD:0163187,3.61,C1(C2c3ccc(cc3)C)=C(CCCC1=O)c4c(ccc(cccc5)c45)N2,0.0
41887,CO-ADD:0166402,3.61,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccc(cc2)C)c3ccccc3OC(C)=O,0.0
41888,CO-ADD:0166241,3.61,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3Br)CCCC2,0.0
41889,CO-ADD:0166640,3.61,C(c1ccc(cc1OC)OCC)(C(C(C)=O)C(OCC)=O)C(C(C)=O)C(OCC)=O,0.0
41890,CO-ADD:0162711,3.61,s1c(c2ccc(cc2)C)nnc1NC(=O)C(Cl)(Cl)Cl,0.0
41891,CO-ADD:0154316,3.61,NC1=C2C(CCCC2)=NC3=C1C(C4=CC=C(C=C4)[N+]([O-])=O)C5=C(O3)C=CC6=C5C=CC=C6,0.0
41892,CO-ADD:0162813,3.61,C(=O)(N\N=C\c(ccc(c1OC)C)c1)C(OC)c2ccccc2,0.0
41893,CO-ADD:0162102,3.61,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc(cc2)ccn2)c1,0.0
41894,CO-ADD:0163982,3.61,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4[N+](=O)[O-],0.0
41895,CO-ADD:0161841,3.61,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C(/C)\c(ccc(c4[N+](=O)[O-])OC)c4,0.0
41896,CO-ADD:0161679,3.61,N(=C\c(ccc(c1I)OC)c1)/NC(Cc2ccccc2)=O,0.0
41897,CO-ADD:0161687,3.61,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c5cc(C)ccc5O,0.0
41898,CO-ADD:0154281,3.61,NC1=NNC(C1=C2)=NC(N)=C2C#N,0.0
41899,CO-ADD:0154419,3.61,CC(OC1=O)(C)OC(C1=CNC(C)=O)=O,0.0
41900,CO-ADD:0162409,3.61,C(=O)(c1ccc(cc1)\N=C\c(cccc2Oc3ccccc3)c2)Nc4ccc(cc4C)Cl,0.0
41901,CO-ADD:0162137,3.61,N1(CCCC1C(=O)NC(CCCNC(N)=N)C(O)=O)C(=O)OCc2ccccc2,0.0
41902,CO-ADD:0162145,3.61,N1(CN2CCCCC2)C(=O)\C(\SC1=S)=C/c(cc3)ccc3[N+](=O)[O-],0.0
41903,CO-ADD:0154537,3.61,N#CC(C#N)=CC1=CC(OC)=C(C=C1)OC,0.0
41904,CO-ADD:0154304,3.61,NC1=C2C(CCCC2)=NC3=C1C(C4=C(Cl)C=CC=C4Cl)C5=C(O3)C6=C(C=CC=C6)C=C5,0.0
41905,CO-ADD:0162480,3.61,c1(SCc2ccccn2)sc(c3n1)cccc3,0.0
41906,CO-ADD:0154471,3.61,O=C1N(C)C(SC)=N/C1=CC2=CC=C(C=C2)OC,0.0
41907,CO-ADD:0162463,3.61,n1c(CC(C)(C)CC2NO)c2cc3c1CC(C)(C)CC3NO,0.0
41908,CO-ADD:0162503,3.61,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(c4ccccc4)=O)cc(cc3)C,0.0
41909,CO-ADD:0161688,3.61,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\C=C\c2ccco2,0.0
41910,CO-ADD:0161992,3.61,S(=O)(=O)(c(ccc(c1NC(=O)c2ccco2)Cl)c1)Nc(c3)cc(cc3C(OC)=O)C(OC)=O,0.0
41911,CO-ADD:0166149,3.61,c1(ccc(\C=N\NC(COc(cc2)ccc2Cl)=O)o1)[N+](=O)[O-],0.0
41912,CO-ADD:0278488,3.61,c1(C2c3ccccc3Cl)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
41913,CO-ADD:0283019,3.61,C(=C/c(ccc(c1OCC)OCc2ccccc2F)c1)(/C(=O)NC(N3)=O)\C3=O,0.0
41914,CO-ADD:0283102,3.61,c1(cc(ccc1N(CC2)CCO2)\C=N\N=C(\N)/N)[N+](=O)[O-],0.0
41915,CO-ADD:0278208,3.61,N(Cc1ccccc1Cl)(c(cccc2)c2C3(O)CC(=O)c4cccc(cccc5)c45)C3=O,0.0
41916,CO-ADD:0284224,3.61,n1(cc(cn1)Br)C(=O)c2ccccc2C,0.0
41917,CO-ADD:0257348,3.61,n1(c2c(nc1SC)cccc2)C(NCCCC)=O,0.0
41918,CO-ADD:0284198,3.61,C(=O)(C1CC=CCC1C(=O)OC\C(\Cl)=C(/Cl)\Cl)Nc2ccc(cc2F)F,0.0
41919,CO-ADD:0161386,3.61,N(\C(=C/c1ccc(C)o1)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])Cl)c3,0.0
41920,CO-ADD:0161210,3.61,N1(c2ccc(cc2)OCCCC)C(=O)C(CC1=O)SC(N\N=C\c(cc3)ccc3N(C)C)=N,0.0
41921,CO-ADD:0161821,3.61,c(Nc(cc1)ccc1OC)(nc(N\N=C\c(cc2)ccc2[N+](=O)[O-])nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
41922,CO-ADD:0162778,3.61,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c(cc2)ccc2I,0.0
41923,CO-ADD:0162389,3.61,c1(c2ccc(cc2)\N=C/c3ccccc3O)[nH]c(c(ccc4c(ccc(c5[nH]6)nc6c7ccc(cc7)\N=C/c8ccccc8O)c5)n1)c4,0.0
41924,CO-ADD:0162149,3.61,n1c(C)oc(ccc(c2ccccc2)c3)c13,0.0
41925,CO-ADD:0161787,3.61,[N+](=O)([O-])c(cc(cc1NC(=O)C(F)F)[N+](=O)[O-])c1C,0.0
41926,CO-ADD:0163008,3.61,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c3cccs3,0.0
41927,CO-ADD:0161359,3.61,C(C(OCC)=O)(C1c(cccn2)c2)=C(CSc3nc(C)cc(C)c3C#N)OC(N)=C1C#N,0.0
41928,CO-ADD:0161367,3.61,c1(SC(C)C(OCC)=O)nc(c2ccccc2)cc(c3ccccc3)c1C#N,0.0
41929,CO-ADD:0278263,3.61,C(=S)(c1cccc(c1)OC(=O)c2ccc(cc2)OC)N3CCCCC3,0.0
41930,CO-ADD:0284274,3.6,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc(OC)c(c3Br)O)c3Br)\N2C4CCCCC4,0.0
41931,CO-ADD:0166626,3.6,C(=O)(N\N=C\c1ccccc1OCC#C)C(C)Oc(cc2)ccc2Cl,0.0
41932,CO-ADD:0162518,3.6,B(C1)(CC(C2)CC3CC12)C3.n(cc4Br)cc(c4)Br,0.0
41933,CO-ADD:0154377,3.6,CC1=C(NC=C(C#N)C#N)C(C)=CC(Br)=C1,0.0
41934,CO-ADD:0162444,3.6,c1(non2)c2nc(N)c(Nc3ccccc3F)n1,0.0
41935,CO-ADD:0162864,3.6,c1(Br)c(Br)c(\C=N\NC(COc2cccc(Br)c2)=O)cc(O)c1O,0.0
41936,CO-ADD:0162880,3.6,S(c1ccccc1)(=O)(=O)N(c2ccc(c(C)c2)C)CC(=O)N\N=C\c3ccccc3OCc4ccccc4Cl,0.0
41937,CO-ADD:0162923,3.6,S(O)(=O)(=O)c(cc1)ccc1c2ccc(cc2)Br,0.0
41938,CO-ADD:0161892,3.6,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(C)c2)=O)N3CCCCC3)c1,0.0
41939,CO-ADD:0163857,3.6,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)C)CC(=O)N\N=C\c(ccc(c3OCC)OCc(cc4)ccc4Cl)c3,0.0
41940,CO-ADD:0163873,3.6,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1C)C(NCCOC)=O,0.0
41941,CO-ADD:0163504,3.6,C(=N/NC(COc1ccc(cc1Br)C)=O)(/c(cc(C)cc2)c2N3C)\C3=O,0.0
41942,CO-ADD:0299894,3.6,n(cn(n1)CCC(O)=O)c1,0.0
41943,CO-ADD:0300022,3.6,N1(c2cc(C)ccc2C)C(=O)\C(\SC1=N)=C/c(cc3)ccc3OC,0.0
41944,CO-ADD:0288979,3.6,S1(=O)(=O)c2c(ccc(F)c2)Oc(cc(cn3)C(F)(F)F)c3N1C4CC4,0.0
41945,CO-ADD:0285353,3.6,c1(N2CCC(CC2)C)nc(N\N=C/c3cccc(OC)c3OCc4ccc(cc4Cl)Cl)nc(Nc5cccc(C)c5C)n1.Cl,0.0
41946,CO-ADD:0278758,3.6,C1(c2cc(OC)ccc2OC)Nc3c(c4N1)c(ccc3)ccc4,0.0
41947,CO-ADD:0278191,3.6,c1(n(C(C)CCCCCC)c2c(cccc2)n1)c3nonc3N,0.0
41948,CO-ADD:0278239,3.6,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)cc(c5OS(=O)(=O)c6ccc(cc6)F)OC,0.0
41949,CO-ADD:0161183,3.6,C(=N/NC(CNC(=O)c1ccco1)=O)(/c2c(N3C)cccc2)\C3=O,0.0
41950,CO-ADD:0161207,3.6,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3S(=O)(=O)Nc(cc4)ccc4OC,0.0
41951,CO-ADD:0278236,3.6,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(ccc4c(cc5)c(C)c(c5[N+](=O)[O-])C)o4)nc(Nc(cc6)ccc6OC)n1,0.0
41952,CO-ADD:0278308,3.6,S(=O)(=O)(N(CC1)CCO1)c2csc(C(=O)Nc3cccc(F)c3)c2,0.0
41953,CO-ADD:0278340,3.6,N12C(S\C(=C\c(cc(OCO3)c3c4)c4Br)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)ccc5OC,0.0
41954,CO-ADD:0163211,3.6,c1(c(O)c(\C=N\NC(COc2cccc(C)c2)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
41955,CO-ADD:0163804,3.6,N(=C\c(cc1)ccc1OC(=O)\C=C\c(cc2)ccc2Br)/c3cccc(C)c3C,0.0
41956,CO-ADD:0278780,3.6,N1C(=O)\C(\SC1=N)=C\c(cc2OCC)cc(c2O)Cl,0.0
41957,CO-ADD:0278237,3.6,C(=C\c(cc1OC)cc(c1OCC)I)(/C2=O)\Sc(c23)cccc3,0.0
41958,CO-ADD:0278773,3.6,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(ccc(c4OC)OCc5ccccc5F)c4)\C1=O,0.0
41959,CO-ADD:0292055,3.6,n(c(c1ccc(c(C)c1)C)c2)c3c(c2C(=O)Nc(cc4)ccc4[N+](=O)[O-])cccc3Cl,0.0
41960,CO-ADD:0285059,3.6,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)S\C(\NCCc(ccc(c3OC)OC)c3)=N/c(cccc4C(F)(F)F)c4,0.0
41961,CO-ADD:0161645,3.6,C(F)(F)(C(F)(F)C(F)F)C(F)(F)C(=O)Nc(ccc(c12)cccc1)c2,0.0
41962,CO-ADD:0162802,3.6,c1(O)c(Br)cc(cc1Br)\C=N\NC(CCCC(=O)Nc(cc2)ccc2Br)=O,0.0
41963,CO-ADD:0162395,3.6,C(=O)(N\N=C\c1cc(Br)ccc1OC)C(C)Oc(cc2)ccc2OCc3ccccc3,0.0
41964,CO-ADD:0163814,3.6,C12(CC(CC(C3)C1)CC3C2)C(=O)N\N=C(/CCC)\c4ccccc4,0.0
41965,CO-ADD:0162734,3.6,[N+](=O)([O-])c1ccccc1\C=N\NC(CCCCCCCC(=O)N\N=C\c2ccccc2[N+](=O)[O-])=O,0.0
41966,CO-ADD:0162244,3.6,c(Nc1ccccc1)(nc(N\N=C\c(c(OC)ccc2[N+](=O)[O-])c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
41967,CO-ADD:0162252,3.6,c1(N(CC2)CCO2)nc(N\N=C\c3cccc(Cl)c3)nc(Nc4cccc(Br)c4)n1,0.0
41968,CO-ADD:0162693,3.6,C(O1)(\C(\C2)=C\c(cc3)ccc3F)=C(CN2C)C(C(C#N)=C1N)c4ccc(cc4)F,0.0
41969,CO-ADD:0284543,3.6,C1(C(F)(F)F)(C(F)(F)F)CN1OCC(NC)=O,0.0
41970,CO-ADD:0162777,3.6,c1(\C=N\NC(COc(cc2)ccc2Br)=O)cc(Br)ccc1OC,0.0
41971,CO-ADD:0162460,3.59,C(=O)(NCC1CCCO1)C(NCCc(cc2)ccc2F)=O,0.0
41972,CO-ADD:0154349,3.59,C#CCN(C(C(C#N)=C1)=NC(NCCC2CCN(CC3=CC=CC=C3)CC2)=C1C#N)C.Cl,0.0
41973,CO-ADD:0163831,3.59,N(=C(/CCC)\c1ccc(cc1)Cl)/NC(=O)Cc2cccc(cccc3)c23,0.0
41974,CO-ADD:0162543,3.59,c1(N)nonc1OCCn2c(C)cc(C)n2,0.0
41975,CO-ADD:0162350,3.59,C(=O)(c1ccc(cc1)NC(CCCCCCC)=O)Nc2ccc(cc2C)C,0.0
41976,CO-ADD:0162259,3.59,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c5cc(Cl)ccc5O,0.0
41977,CO-ADD:0215601,3.59,C(=O)(N\N=C\c(cc(OCO1)c1c2)c2Br)C(=O)NCc(cccn3)c3,0.0
41978,CO-ADD:0278559,3.59,c1(cc(cc(N)c1C(O)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
41979,CO-ADD:0278320,3.59,N1(CC)C(=O)\C(\SC1=S)=C/c(ccc(c2OC)OCc(cc3)ccc3F)c2,0.0
41980,CO-ADD:0162349,3.59,C(=O)(c1ccc(cc1)NC(CCCCC)=O)Nc2ccccc2Cl,0.0
41981,CO-ADD:0283327,3.59,n(nnc1C(=O)N2CCCCCC2)(c1c3ccccc3)c4nonc4N,0.0
41982,CO-ADD:0162246,3.59,c1(N(CC2)CCO2)nc(N\N=C\c3cc(Br)ccc3O)nc(Nc4cc(C)ccc4C)n1,0.0
41983,CO-ADD:0278267,3.59,c1(cc(ccc1Oc2ccccc2C(=O)Nc3ccccc3Cl)C(F)(F)F)[N+](=O)[O-],0.0
41984,CO-ADD:0278230,3.59,c1(SCc2ccc(c3c2cccc3)F)sc4c(ccc(N)c4)n1,0.0
41985,CO-ADD:0278272,3.59,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(=O)Nc5ccccc5OC)c3)sc(c6n1)cccc6,0.0
41986,CO-ADD:0277327,3.59,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccccc4OC,0.0
41987,CO-ADD:0278468,3.59,n1c(c2ccc(cc2)F)csc1\C(\C#N)=N\Nc(cc3)ccc3C,0.0
41988,CO-ADD:0154364,3.59,CN1CCC(C2=CC=CN2C)=CC1,0.0
41989,CO-ADD:0162541,3.59,N1(Cc2ccccc2)C(=O)C(C3C1=O)C=NN3,0.0
41990,CO-ADD:0285756,3.59,C12(CC(OC1=O)COCC(C)C)CC(OC2=O)(C)c3csc(Nc(cc4)ccc4C)n3,0.0
41991,CO-ADD:0161759,3.59,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3ccccc3Br)=O,0.0
41992,CO-ADD:0161767,3.59,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(cc2)ccc2N(C)C)nc3Nc(cc4)ccc4OC)n3,0.0
41993,CO-ADD:0162961,3.59,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(CNc(ccc(c23)cccc2)c3)=O,0.0
41994,CO-ADD:0161408,3.59,C(=O)(Nc1cccc(N(C)C)c1)c2cccc(cccc3)c23,0.0
41995,CO-ADD:0215625,3.59,C(=S)(Oc(cccc1C(=O)Nc(cc2)ccc2Cl)c1)N(CC(C)C)CC(C)C,0.0
41996,CO-ADD:0215658,3.59,N1=C(N\N=C\c(ccc(c23)OCO2)c3)SC(C(C)C)C1=O,0.0
41997,CO-ADD:0215338,3.59,c(C#N)(c1c2ccc(cc2)F)c(SCC(=O)Nc(cc3)ccc3OC)nc(N)c1C#N,0.0
41998,CO-ADD:0154380,3.59,NCC1=CC2=CC(OC)=CC=C2N1C,0.0
41999,CO-ADD:0154381,3.59,O=C(CBr)NCC1=CC=CC=C1,0.0
42000,CO-ADD:0154383,3.59,NC(CCC1=CC=C(O)C(OC)=C1)=O,0.0
42001,CO-ADD:0161907,3.59,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)N(CCCC)CC)c1,0.0
42002,CO-ADD:0154457,3.59,O=C(C1=CC2=CC(OCC3=CC=CC=C3)=CC=C2N1)OCC,0.0
42003,CO-ADD:0288784,3.59,C12(CCN(CC1)C(c3oc([N+](=O)[O-])cc3)=O)CC(CCO2)NC(=O)OC(C)(C)C,0.0
42004,CO-ADD:0288952,3.59,n12c(c3c(Oc(cc4S(N)(=O)=O)c1cc4)cccc3)cc(CN5CCCC5)n2,0.0
42005,CO-ADD:0215421,3.59,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)OC(\C(\CCC3)=C\c(cc4OC)cc(c4OC)OC)=C13,0.0
42006,CO-ADD:0215437,3.59,S(c1ccccc1)(=O)(=O)N(c2ccc(c(C)c2)C)CC(=O)N\N=C\c(c(OC)ccc3[N+](=O)[O-])c3,0.0
42007,CO-ADD:0214893,3.59,N1(c(cc2)ccc2S(NC)(=O)=O)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
42008,CO-ADD:0166585,3.59,C1(C(=O)N\N=C(/C)\c2ccc(cc2)N)CC1c3ccccc3,0.0
42009,CO-ADD:0166532,3.59,N1(\N=C\c2ccccc2OC)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
42010,CO-ADD:0162249,3.59,c1(N(C)C)nc(N\N=C\c(c(O)ccc2[N+](=O)[O-])c2)nc(NCc3ccccc3)n1,0.0
42011,CO-ADD:0162317,3.59,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])c1,0.0
42012,CO-ADD:0154312,3.59,NC1=C2C(CCCC2)=NC3=C1C(C4=CC=C(C)C=C4)C5=C(O3)C6=C(C=CC=C6)C=C5.Cl,0.0
42013,CO-ADD:0154477,3.59,OCC1=CC2=CC=CC=C2N1,0.0
42014,CO-ADD:0154484,3.59,O=C(C1=CC=CC=C1)NC2(CC2C3=CC=CC=C3)C(OC)=O,0.0
42015,CO-ADD:0161417,3.59,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2ccccc2)=O)N(CC(C)C)CC(C)C)c1,0.0
42016,CO-ADD:0161425,3.59,N1(c2cccc(c2)Oc(c(F)c3F)c(F)c(c3c(c(F)c4F)c(F)c(c4Oc(cccc5N6C(=O)C(C7C6=O)C(CC78)C=C8)c5)F)F)C(=O)C9C(C%10CC9C=C%10)C1=O,0.0
42017,CO-ADD:0215404,3.59,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)SC(N)=C2C#N,0.0
42018,CO-ADD:0154413,3.59,O=C(C1=CC=CC=C1)N/C(C(O)=O)=CC2=CC=CC=C2,0.0
42019,CO-ADD:0161762,3.59,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c2cccc(Br)c2)nc3Nc(cc4)ccc4OC)n3,0.0
42020,CO-ADD:0162959,3.59,c1(\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)c(OCC)ccc(cccc4)c14,0.0
42021,CO-ADD:0161782,3.59,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c2cccc(OC)c2,0.0
42022,CO-ADD:0161435,3.59,n1c(c2ccc(cc2)OC)csc1Nc(cc3)ccc3Br.Br,0.0
42023,CO-ADD:0277355,3.59,C(C#N)(C(O)=O)(CC(c(c12)cccc1)c(c34)cccc3)C24,0.0
42024,CO-ADD:0277300,3.59,N1(Cc(cc2)ccc2S(N)(=O)=O)\C(=N\c(cc3)ccc3F)\SC=C1c4ccc(cc4)C.Br,0.0
42025,CO-ADD:0284584,3.59,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)SCC(N)C(OCC)=O.Cl,0.0
42026,CO-ADD:0258997,3.58,N1\C(=N\N=C\c2ccccc2C(F)(F)F)\SCC1=O,0.0
42027,CO-ADD:0284929,3.58,c12c(nnc(SCC(c3ccccc3)=O)n1)c4c(cccc4)n2CCC,0.0
42028,CO-ADD:0162282,3.58,C1(c2ccccc2C)=N\C(\C(=O)O1)=C/c(ccc(c34)cccc3)c4,0.0
42029,CO-ADD:0162314,3.58,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c2ccc(cc2O)C,0.0
42030,CO-ADD:0277631,3.58,N1(c(ccc(c2s3)nc3SCc(cc4)ccc4F)c2)C(=O)c5c(cccc5)C1=O,0.0
42031,CO-ADD:0277503,3.58,c12c(n(c(SCC(=O)Nc3c(C)cccc3C)n1)C)C(N(C)C(=O)N2C)=O,0.0
42032,CO-ADD:0277551,3.58,C(=O)(Nc(cc1)ccc1C(C)CC)C2CC=CCC2C(O)=O,0.0
42033,CO-ADD:0283068,3.58,C1(NN=C(c2ccccc2)S1)(c3c(N4Cc5c(cccc5Cl)Cl)cccc3)C4=O,0.0
42034,CO-ADD:0154525,3.58,CC1N(/N=C/C2=CC=CC=C2)C3=CC=CC=C3C1,0.0
42035,CO-ADD:0154337,3.58,NC(N=C(N(C)C)C(C#N)=C1)=C1C#N,0.0
42036,CO-ADD:0162373,3.58,[N+](=O)([O-])c(cc1)ccc1\C=C(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3OC)cc(c3OC)OC,0.0
42037,CO-ADD:0162797,3.58,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(=O)c2ccc(cc2)O,0.0
42038,CO-ADD:0161768,3.58,c(C(=O)Nc(ccc(c12)cccc1)c2)(c(F)c3F)c(F)c(c3C(=O)Nc(ccc(c45)cccc4)c5)F,0.0
42039,CO-ADD:0161776,3.58,C(CNc(cc1)ccc1C)(=O)N\N=C\c2ccc(cc2O)O,0.0
42040,CO-ADD:0161369,3.58,c1(C#N)c(c2ccccc2)cc(nc1SCCCC(=O)c3ccc(cc3)F)c4ccccc4,0.0
42041,CO-ADD:0161997,3.58,c12c(NC(CN=C1c3ccccc3)=O)c4c(cccc4)o2,0.0
42042,CO-ADD:0161845,3.58,c(Nc1ccccc1C)(nc(N\N=C\c2cc(I)ccc2O)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
42043,CO-ADD:0163221,3.58,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
42044,CO-ADD:0163844,3.58,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C(/C)\c2cccc(I)c2)c3ccc(cc3C)C,0.0
42045,CO-ADD:0163868,3.58,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N\N=C\c(ccc(c3OCC)OCc(cc4)ccc4Cl)c3,0.0
42046,CO-ADD:0162736,3.58,[N+](=O)([O-])c(ccc(c1C(=O)N\N=C\c(cc(Cl)cc2Cl)c2OC)O)c1,0.0
42047,CO-ADD:0278953,3.58,N1(c2ccc(cc2)C)C(=O)\C(=C\c(cc3OCC)cc(c3OCC)Br)\C(NC1=S)=O,0.0
42048,CO-ADD:0166148,3.58,C(COc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2C(O)=O,0.0
42049,CO-ADD:0166410,3.58,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc(cc3)ccc3C(c4ccccc4)=O)Nc(cc5)ccc5C(c6ccccc6)=O,0.0
42050,CO-ADD:0166108,3.58,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNC(=O)c2ccco2)=O)OC)c1,0.0
42051,CO-ADD:0166736,3.58,n1c(N(CC2)CCO2)c(Nc(cc3)ccc3C)nc(non4)c14,0.0
42052,CO-ADD:0284112,3.58,c1(C(OCC)=O)c(cc(O)cc2)c2n(C3CCCCC3)c1C,0.0
42053,CO-ADD:0284153,3.58,c1(NC(=O)c2cccs2)sc(c(CCN3C(OCC)=O)c1C(OCC)=O)C3,0.0
42054,CO-ADD:0278786,3.58,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(cc4OC)cc(c4O)OC)\C1=O,0.0
42055,CO-ADD:0284644,3.58,c1(C#N)c2c(sc1\N=C\c(cc(c3Br)Br)s3)CC(C)CC2,0.0
42056,CO-ADD:0284711,3.58,c1(NC(=O)c(cccc2S(=O)(=O)N3CCCCCC3)c2)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
42057,CO-ADD:0284728,3.58,[C@@]1(C)(CC2)C(C[C@@H](CC)[C@@H]1\C(\C)=N/O)C(C23)CCC(=C\C(=N\O)\CC4)[C@@]34C,0.0
42058,CO-ADD:0257795,3.58,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4cccc(cccc5)c45)\N2,0.0
42059,CO-ADD:0279214,3.58,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cc(n5c6ccc(cc6)Cl)C)c5C)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
42060,CO-ADD:0277585,3.58,n1(nnc(C(=O)OC(C)C)c1CN(CC)CC)c2nonc2N,0.0
42061,CO-ADD:0215428,3.58,C(=O)(N\N=C(/C)\CC(=O)Nc1cc(C)ccc1OC)C(=O)NC(C)C,0.0
42062,CO-ADD:0215540,3.58,C(=O)(N\N=C\c(ccc(c1OCC)OCc(cc2)ccc2Cl)c1)C(=O)Nc(cc3)ccc3OCC,0.0
42063,CO-ADD:0283633,3.58,c1(N2CCC(CC2)Cc3ccccc3)scc(c4ccccc4)n1,0.0
42064,CO-ADD:0284147,3.58,n1c2c(cccc2)ccc1C(=O)NC3(CCCCC3)C(=O)Nc4ccccc4,0.0
42065,CO-ADD:0283753,3.58,[C@@]1(C)(CC2)C(C[C@@H](CC)[C@@H]1\C(\C)=N/NC(OCC)=O)C(C23)CC=C(C[C@@H](O)CC4)[C@@]34C,0.0
42066,CO-ADD:0165874,3.58,[N+](=O)([O-])c(cccc1C(=O)Oc2ccc(c3c2\C=N\NC(=O)c4cccc(Br)c4)cccc3)c1,0.0
42067,CO-ADD:0284784,3.58,c1(cc(cc(sn2)c1c2OC)[N+](=O)[O-])[N+](=O)[O-],0.0
42068,CO-ADD:0283890,3.58,N1(CN(CC2)CCC2C(OCC)=O)N=C(OC1=S)c3ccc(cc3)C,0.0
42069,CO-ADD:0277774,3.57,n1(c2ccc(cc2)C)c(c3ccccc3)c(cc1c4ccccc4)\C=N\c(ccc(c5C)C)c5,0.0
42070,CO-ADD:0278063,3.57,c1(c2OC)c(cc(cc1N=[N+]=[N-])[N+](=O)[O-])sn2,0.0
42071,CO-ADD:0215528,3.57,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\NC(c3ccccc3)=O,0.0
42072,CO-ADD:0214888,3.57,S(=O)(=O)(c1ccc(cc1)N\C=C(/C(=O)NC(N2)=S)\C2=O)Nc(cc3)ccc3OC,0.0
42073,CO-ADD:0215381,3.57,n1c(ccc(C#N)c1SCC(=O)Nc(cccc2C(F)(F)F)c2)c3cccs3,0.0
42074,CO-ADD:0163840,3.57,C(OCc(cc1)ccc1OC)(=O)N\N=C(/C)\CC(NCCc2ccccc2)=O,0.0
42075,CO-ADD:0162163,3.57,C(C(OCC)=O)(C1c2ccc(cc2)O)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
42076,CO-ADD:0163875,3.57,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C(/C)\c3ccc(cc3)I,0.0
42077,CO-ADD:0166758,3.57,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3S(=O)(=O)Nc4ccccc4C,0.0
42078,CO-ADD:0215794,3.57,N(c1c(C)cccc1C)C(=O)C(NCCC)=O,0.0
42079,CO-ADD:0161644,3.57,c1(oc(c2n1)cc(c(C)c2)C)c3cc(ccc3O)\N=C\c4c(O)ccc(cccc5)c45,0.0
42080,CO-ADD:0161660,3.57,c1(\C=N\NC(COc(cc2)ccc2Cl)=O)cc(OC)ccc1OCC,0.0
42081,CO-ADD:0161433,3.57,n1c(c2ccc(c(OC)c2)OC)csc1Nc(cc3)ccc3O.Br,0.0
42082,CO-ADD:0162808,3.57,C(=O)(C\C(\C)=N\NC(COC)=O)Nc1cccc(Cl)c1C,0.0
42083,CO-ADD:0162816,3.57,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCC(=O)Nc2ccccc2Br)=O)O)c1,0.0
42084,CO-ADD:0162858,3.57,[N+](=O)([O-])c1ccc(cc1)CC(=O)N\N=C\C=C(/O)\c2ccc(cc2)C,0.0
42085,CO-ADD:0163027,3.57,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(C(OC)=O)c3,0.0
42086,CO-ADD:0163179,3.57,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c3ccccc3Cl,0.0
42087,CO-ADD:0283769,3.57,n1(c(C)cc(C)n1)C(=O)c2c(F)c(C)cc(F)c2F,0.0
42088,CO-ADD:0278347,3.57,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc(OC)c(c4)O)c4Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
42089,CO-ADD:0257349,3.57,c(c1ccccc1O)(cc(c2ccc(cc2)Br)nc3N\N=C(/C)\c4ccccc4)n3,0.0
42090,CO-ADD:0283585,3.57,[N+](=O)([O-])c1cc(cc2c1C=Cc(c3O2)ccc(OC)c3)[N+](=O)[O-],0.0
42091,CO-ADD:0166364,3.57,N(/c1cccc(Cl)c1C)=C\c2ccccc2OC(=O)\C=C\c(cc3)ccc3Br,0.0
42092,CO-ADD:0166206,3.57,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
42093,CO-ADD:0162523,3.57,c1(scc(c2ccccc2)n1)NC(C)=O,0.0
42094,CO-ADD:0161181,3.57,c1(c(OC)cc(c(\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C/c3cccs3)c1)OC)[N+](=O)[O-],0.0
42095,CO-ADD:0161221,3.57,C(COc1cccc(C)c1)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
42096,CO-ADD:0235124,3.57,C(=O)(Oc1cccc(c1)\C=N\NC(CNc2cccc(C)c2)=O)c3ccccc3Br,0.0
42097,CO-ADD:0232650,3.57,C(C(OC)=O)(=C(C)NC(=C1C(OC)=O)C)C1c2ccc(c(OC)c2)OC,0.0
42098,CO-ADD:0235386,3.57,N(c1cccc(Cl)c1)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
42099,CO-ADD:0235699,3.57,C1(Oc2ccccc2)=C(Br)C(OC1=O)C[N+](=O)[O-],0.0
42100,CO-ADD:0235288,3.56,S(=O)(=O)(c1ccc(cc1)NC(CCCCCCCCCCC)=O)c2ccc(cc2)NC(CCCCCCCCCCC)=O,0.0
42101,CO-ADD:0232637,3.56,C1(OC(C)=O)C(Oc(cc2)ccc2OC)OC(C(OC(C)=O)C1OC(C)=O)COC(C)=O,0.0
42102,CO-ADD:0223566,3.56,C(C)(C1)(CN(C2c3ccccc3O)CC4(CN12)C)C4=O,0.0
42103,CO-ADD:0223542,3.56,N1(CC(CC1=O)C(=O)Nc(cc2)ccc2CC)c3cc(C)ccc3C,0.0
42104,CO-ADD:0228812,3.56,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3C,0.0
42105,CO-ADD:0230200,3.56,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c(ccc(c2Br)O)c2,0.0
42106,CO-ADD:0230632,3.56,C1(CCCC2)C2C1C(=O)N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-],0.0
42107,CO-ADD:0223076,3.56,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)C(=O)Nc3c(C)cccc3C,0.0
42108,CO-ADD:0248370,3.56,N#CC1=CC=CC=C1C(C=C2)=CC=C2CN3C4=CC=CC=C4N=C3C5=CSC=N5,0.0
42109,CO-ADD:0232022,3.56,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(c2)cc(cn2)Br)OC(c3ccccc3)=O)c1,0.0
42110,CO-ADD:0232746,3.56,C(C(OCCCCC)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
42111,CO-ADD:0232119,3.56,c(\C=N\NC(CNC(=O)c1cccc(F)c1)=O)(cc(Br)cc2Br)c2OC,0.0
42112,CO-ADD:0232274,3.56,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(cc2)ccc2C,0.0
42113,CO-ADD:0232021,3.56,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
42114,CO-ADD:0231867,3.56,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2cccc(cccc3)c23,0.0
42115,CO-ADD:0230600,3.56,C(NCCOCc1ccccc1)(=O)c2ccc(cc2)OCCCC,0.0
42116,CO-ADD:0228167,3.56,c1(NCC(=O)N\N=C(\CC)/C(C)C)c(Br)cc(cc1Br)Br,0.0
42117,CO-ADD:0223232,3.56,c1(c(\C=N\NC(COc2ccccc2C#N)=O)ccc(OC(C)=O)c1OC)[N+](=O)[O-],0.0
42118,CO-ADD:0228533,3.56,N12C(S\C(=C/c(cc3)ccc3CC)\C1=O)=C(C(c4ccc(cc4)CC)C(C#N)=C2N)C#N,0.0
42119,CO-ADD:0230155,3.56,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(Cc2ccccc2)=O,0.0
42120,CO-ADD:0230827,3.56,C(=O)(Nc(cc1)ccc1CC)C(NCCc(ccc(c2OC)OC)c2)=O,0.0
42121,CO-ADD:0230819,3.56,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)C(=O)Nc2ccccc2OC(F)(F)C([H])(F)F)O)c1,0.0
42122,CO-ADD:0223214,3.56,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc(cc2)ccc2Cl)=O)O,0.0
42123,CO-ADD:0230259,3.56,C1(CC(OC1=O)(C)C)OP(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC,0.0
42124,CO-ADD:0230648,3.56,c(cc(cccc1C)c1n2)(c23)\C(=N/c4ccccc4)\c(c35)cc(cc5)C,0.0
42125,CO-ADD:0228799,3.56,C(=C\c1ccccc1Cl)(/C(C)=NN2c3ccc(c(C)c3)C)\C2=O,0.0
42126,CO-ADD:0230657,3.56,C(=C\c(cc1)ccn1)(/c(cc(C)cc2)c23)\c(cc(cccc4)c4n5)c35,0.0
42127,CO-ADD:0232419,3.56,n1c(c2ccccc2)csc1N\N=C(/C)\c(cc3)ccc3[N+](=O)[O-],0.0
42128,CO-ADD:0235654,3.56,C(=O)(C1CCCN1Cc2ccccc2)Nc3c(C)cc(cc3C)C,0.0
42129,CO-ADD:0223307,3.56,C1(=O)c2c(c(cc(Br)c2)ccc3)c3C(=O)O1,0.0
42130,CO-ADD:0223222,3.56,n1c2c(oc1c3ccc(cc3)NC(=O)c4ccc(cc4Cl)Cl)cc(C)c(C)c2,0.0
42131,CO-ADD:0223682,3.56,c1(Br)c(ccc(cccc2)c12)OCC(=O)N\N=C\c3cccc(OC)c3OC,0.0
42132,CO-ADD:0235302,3.56,N1C(=O)\C(\SC1=N)=C/c(ccc2c3ccc(cc3Cl)[N+](=O)[O-])o2,0.0
42133,CO-ADD:0228242,3.56,N1(c2ccccc2)C(=O)\C(\SC1=S)=C/c(ccc3c4cc(Cl)ccc4C)o3,0.0
42134,CO-ADD:0228081,3.56,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(ccc(c3OCC)O)c3,0.0
42135,CO-ADD:0232010,3.56,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(ccc(c4OC)OC)c4,0.0
42136,CO-ADD:0230125,3.56,C(=O)(Oc(cc1)ccc1C2(CCCC2)c3ccc(cc3)OC(=O)c4cccc(OC)c4)c5cccc(OC)c5,0.0
42137,CO-ADD:0228565,3.56,c1(nc(c2cccs2)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Oc4cccc(Cl)c4)cc5[N+](=O)[O-])c5)n1,0.0
42138,CO-ADD:0232190,3.56,c1(oc(c2n1)ccc(c2)\N=C\c3c(O)c(OC)cc(Br)c3Br)c4cccc(Cl)c4Cl,0.0
42139,CO-ADD:0228028,3.56,N(=C\c1cc(I)ccc1O)/c2cc(ccc2O)Cc(ccc(c3\N=C\c4cc(I)ccc4O)O)c3,0.0
42140,CO-ADD:0228760,3.56,c1(ccc(\C=N\NC(=O)Cc2cccc(cccc3)c23)o1)N4CCCCC4,0.0
42141,CO-ADD:0223490,3.56,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C\NCCO,0.0
42142,CO-ADD:0228262,3.56,N1(CCOC(C)=O)C(=O)c(c2C1=O)ccc(c2)c(ccc(c3C4=O)C(N4CCOC(C)=O)=O)c3,0.0
42143,CO-ADD:0230263,3.56,N(C(COc1ccc(cc1Cl)Cl)=O)c2ccccc2C#N,0.0
42144,CO-ADD:0228362,3.56,N1(C)C(=O)\C(\SC1=S)=C/c(cc2)ccc2F,0.0
42145,CO-ADD:0228827,3.56,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(=O)N\N=C\c(c2)c(O)c(cc2[N+](=O)[O-])Br)Br,0.0
42146,CO-ADD:0228231,3.56,N1(c2ccc(cc2)OCC)C(=O)NC(\C(=C/c(c(OC)ccc3[N+](=O)[O-])c3)\C1=O)=O,0.0
42147,CO-ADD:0235009,3.56,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3cccc(F)c3)=O,0.0
42148,CO-ADD:0223263,3.55,S(=O)(=O)(c1ccc(cc1)NC(C)=O)C(C)(C)CC(C)=O,0.0
42149,CO-ADD:0235194,3.55,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O,0.0
42150,CO-ADD:0232375,3.55,N(\C(=C\c(ccc(c1Cl)Cl)c1)\C(O2)=O)=C2c3ccccc3,0.0
42151,CO-ADD:0232651,3.55,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCC,0.0
42152,CO-ADD:0223476,3.55,c(c(C)nn1c2ccc(cc2)Cl)(\C=C(/C(=O)NC(N3)=O)\C3=O)c1O,0.0
42153,CO-ADD:0228942,3.55,n1c2c(cccc2C)ccc1c3ccccc3C,0.0
42154,CO-ADD:0228068,3.55,C(=N/NC(=O)Cc1ccc(c(cccc2)c12)Br)(/c3c(N4C)cccc3)\C4=O,0.0
42155,CO-ADD:0230006,3.55,C(F)(F)(F)c(ccc(c1NC(=O)C\C(\C)=N\NC(COC)=O)Cl)c1,0.0
42156,CO-ADD:0230235,3.55,c1(\C=N\NC(=O)c(cccc2NC(=O)c3ccc(cc3)C)c2)c(cccc1Cl)Cl,0.0
42157,CO-ADD:0232000,3.55,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(ccc(c4Cl)Cl)c4,0.0
42158,CO-ADD:0228374,3.55,s1c(c(cc2)ccn2)nnc1NC(=O)c3ccccc3C(O)=O,0.0
42159,CO-ADD:0228597,3.55,C(=N/NC(=O)C1CC12CCC2)(/C3=O)\c4c(N3)ccc(c4)[N+](=O)[O-],0.0
42160,CO-ADD:0230222,3.55,c1(ccccc1NC(C)=O)C(=O)N\N=C\c(cc2)ccc2O,0.0
42161,CO-ADD:0223709,3.55,C(COc(cc1)ccc1Cl)(=O)Nc(cc2)ccc2Cl,0.0
42162,CO-ADD:0230395,3.55,S1(=O)(=O)c(cccc2)c2C(=O)N1CN(c3nc(OC)nc(N(C)C)n3)S(=O)(=O)c4ccc(cc4)C,0.0
42163,CO-ADD:0228083,3.55,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(ccc(c3Cl)OC)c3,0.0
42164,CO-ADD:0228292,3.55,C(=N/N=C/c1cccs1)(/c2c(N3)cccc2)\C3=O,0.0
42165,CO-ADD:0230457,3.55,C(NN)(=S)N1CCCCC1,0.0
42166,CO-ADD:0228307,3.55,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)NCc4ccccc4,0.0
42167,CO-ADD:0223582,3.55,c1(SCC(=O)N\N=C\c2c(O)ccc(cccc3)c23)oc(c4n1)cccc4,0.0
42168,CO-ADD:0223551,3.55,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2OC)c1)N3CCCCC3,0.0
42169,CO-ADD:0223663,3.55,s1c(\C=N\NC(=O)c2ccc(cc2)OCC=C)ccc1Br,0.0
42170,CO-ADD:0228743,3.55,c1(C2=O)c(cc(nc1)\C=C\c3ccccc3)c4c2cc(cc4)C,0.0
42171,CO-ADD:0223516,3.55,C(=C/Nc1ccccc1[N+](=O)[O-])(/C(=O)NC(N2)=O)\C2=O,0.0
42172,CO-ADD:0232050,3.55,c1(c(O)c(\C=N\c(cccc2c3oc(c4n3)cc(c(C)c4)C)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
42173,CO-ADD:0230413,3.55,[N+](=O)([O-])c1cccc(c1)\C=N\CCCCCCCCCCCCCCCCCC,0.0
42174,CO-ADD:0230780,3.55,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I)(=S)NC(C)(C)CC(C)(C)C,0.0
42175,CO-ADD:0223082,3.55,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)C(=O)Nc(cc3)ccc3CC,0.0
42176,CO-ADD:0223044,3.55,N1(CNc(cc2)ccc2CC)C(=O)\C(\SC1=S)=C\c3cccc(Cl)c3Cl,0.0
42177,CO-ADD:0232376,3.55,c1(ccc(cc1Cl)Cl)C(=O)NC2CCCCCCC2,0.0
42178,CO-ADD:0232667,3.55,N(/c1ccccc1O)=C(\c2ccccc2)/C(c3ccccc3)=O,0.0
42179,CO-ADD:0235191,3.55,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O,0.0
42180,CO-ADD:0232809,3.55,C(=N\c1ccccc1)(/SC(C2=O)CC(=O)Nc3cccc(C)c3)\N2,0.0
42181,CO-ADD:0232129,3.55,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3cccc(Cl)c3,0.0
42182,CO-ADD:0228270,3.55,[nH]1c(CC2CC(OC2=O)CCCCC)nnc1S,0.0
42183,CO-ADD:0232198,3.55,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3Cl)\N=C\c4c(O)c(OC)cc(Br)c4Br,0.0
42184,CO-ADD:0230557,3.55,N(C(CCCCCCCCCCCCCCCCC)=O)C(CC(C)CC1(C)C)C1,0.0
42185,CO-ADD:0231988,3.55,c1(oc(c2n1)ccc(c2)\N=C\c3cc(C)cc(Br)c3O)c4cc(Cl)ccc4Cl,0.0
42186,CO-ADD:0228783,3.55,C(=O)(c1ccc(cc1)OCCCCCC)OCC(=O)c2ccc(cc2)Br,0.0
42187,CO-ADD:0230883,3.55,C(OCC)(=O)NNC(CNC(CCC)=O)=O,0.0
42188,CO-ADD:0230151,3.54,c12c(non1)NC(C(N2)N3)Nc4c3non4,0.0
42189,CO-ADD:0228369,3.54,S(=O)(=O)(c(cc1)ccc1c2csc(Nc3cccc(OC)c3)n2)N(CC4)CCO4.Br,0.0
42190,CO-ADD:0230242,3.54,C(=O)(N\N=C\c1cccc(OC)c1O)c(ccc(c2Br)OC)c2,0.0
42191,CO-ADD:0223167,3.54,c1(c(C)cccc1C)OCC(=O)N\N=C\c(ccc(c2I)O)c2,0.0
42192,CO-ADD:0223195,3.54,C(=O)(Oc1ccc(cc1\C=N\NC(COc(ccc(c2C)C)c2)=O)Br)c3ccco3,0.0
42193,CO-ADD:0223533,3.54,C(=C\c(cc1)ccc1N(C)C)(/C(C)=NO2)\C2=O,0.0
42194,CO-ADD:0223327,3.54,c1(N=Nc(c2)c(O)cc(O)c2\C=N\c(cc3)ccc3OC)nonc1N,0.0
42195,CO-ADD:0223298,3.54,[N+](=O)([O-])c1cc(ccc1Cl)C#N,0.0
42196,CO-ADD:0235565,3.54,N1(COC(COC(=O)c2ccco2)=O)C(=O)c3c(cccc3)C1=O,0.0
42197,CO-ADD:0232132,3.54,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3cccc(Br)c3,0.0
42198,CO-ADD:0232076,3.54,c(\C=N\NC(COc1cccc(C)c1)=O)(cc(I)cc2I)c2O,0.0
42199,CO-ADD:0232062,3.54,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3cc(OC)ccc3O,0.0
42200,CO-ADD:0228069,3.54,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)C(C)(C)C,0.0
42201,CO-ADD:0223306,3.54,C(/C#N)(=C\c(c(O)ccc1[N+](=O)[O-])c1)\C(=O)Nc(ccc(c2C)C)c2,0.0
42202,CO-ADD:0230236,3.54,C(=O)(c1ccccc1C)Nc(cc2)ccc2C(=O)N\N=C\c3ccc(cc3O)O,0.0
42203,CO-ADD:0229987,3.54,C12(C)C(C1C(=O)N\N=C\c(cc3)ccc3Br)CCCC2,0.0
42204,CO-ADD:0230327,3.54,c1(c(ccc(c1)[N+](=O)[O-])Oc2ccc(cc2OC)\C=N\NC(=O)c3cccc(n3)C(=O)N\N=C\c(cc4)cc(c4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])OC)[N+](=O)[O-],0.0
42205,CO-ADD:0223146,3.54,c1(c(O)c(\C=N\NC(COc(ccc(c2C)C)c2)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
42206,CO-ADD:0235729,3.54,N(\C(=C\c(cc1)ccc1N(C)C)\C(O2)=O)=C2c3ccc(cc3)OCCCC,0.0
42207,CO-ADD:0223631,3.54,c1(c(cccc1Cl)Cl)\C=N\c2ccc(cc2C)C,0.0
42208,CO-ADD:0228755,3.54,C(=O)(Nc(cc1)ccc1F)Nc2cccc(c2)NC(=O)Nc(cc3)ccc3F,0.0
42209,CO-ADD:0228855,3.54,C(=C\c(ccc(c1OC)OC)c1)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc3c4ccc(cc4)Cl)o3,0.0
42210,CO-ADD:0228763,3.54,C(=O)(c1ccc(cc1)OCCCC)Oc(cc2)ccc2c3ccc(cc3)OC(=O)c4ccc(cc4)OCCCC,0.0
42211,CO-ADD:0230732,3.54,C(=O)(c1ccc(cc1)O)Nc(cc2)ccc2I,0.0
42212,CO-ADD:0230754,3.54,N(/c(cc1)ccc1C)=C\c(cc2)ccc2OCC=C,0.0
42213,CO-ADD:0231924,3.54,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3cccc(cccc4)c34,0.0
42214,CO-ADD:0235296,3.54,C1(Nc(cc2)c(C)cc2[N+](=O)[O-])OC(CO)C(C(O)C1O)O,0.0
42215,CO-ADD:0235836,3.54,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)ccc2C(OCCCC)=O,0.0
42216,CO-ADD:0235649,3.54,N(c1ccccc1)(NC(Cc2ccccc2)=O)C(c3ccccc3)=O,0.0
42217,CO-ADD:0232097,3.54,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\C(\C)=C\c2ccccc2,0.0
42218,CO-ADD:0232266,3.54,c1(c(O)cc(c(Cl)c1C)C)\C=N\c2ccccc2Cl,0.0
42219,CO-ADD:0232613,3.54,S(NC)(=O)(=O)c1ccccc1C(=O)N\N=C\c2cc(Br)cc(OC)c2OC,0.0
42220,CO-ADD:0232818,3.54,C(C(C)=O)C(O)c1ccccn1,0.0
42221,CO-ADD:0235243,3.54,c1(ccc[nH]1)\C=N\c(ccc(c2I)C)c2,0.0
42222,CO-ADD:0231990,3.54,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2cccc(OC)c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
42223,CO-ADD:0232260,3.54,c1(c(O)cc(c(Cl)c1C)C)\C=N\c2c(Cl)ccc(Cl)c2,0.0
42224,CO-ADD:0230205,3.54,c1(O)c(Br)cc(cc1Br)\C=N\NC(=O)c2ccc(cc2)OCCCCCCCCCC,0.0
42225,CO-ADD:0223525,3.54,C(=C\Nc(c1)cc(cc1[N+](=O)[O-])[N+](=O)[O-])(/C(=O)NC(N2)=O)\C2=O,0.0
42226,CO-ADD:0228673,3.54,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2C)N(C)c3ccc(c4c3)cccc4,0.0
42227,CO-ADD:0230837,3.54,c1(\C=N\NC(=O)c2ccc(cc2)F)c3c(cccc3)cc(cccc4)c14,0.0
42228,CO-ADD:0228962,3.54,c1(c2nc3c(cccc3)n1)\C(=N/c4ccccc4)\c5c2cccc5,0.0
42229,CO-ADD:0223165,3.54,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2cccc(O)c2,0.0
42230,CO-ADD:0228452,3.54,N1(Cc2ccccc2)C(=O)\C(=C\c(c3c([nH]4)cccc3)c4)\C(NC1=S)=O,0.0
42231,CO-ADD:0230402,3.54,C(/C=C(O1)C)(=C\c(ccc2c(cc3)ccc3[N+](=O)[O-])o2)\C1=O,0.0
42232,CO-ADD:0228397,3.54,N1(CNc2ccccc2C(OCC)=O)c3c(OC1=S)ccc(Cl)c3,0.0
42233,CO-ADD:0230370,3.54,s1c(N)nnc1SCC(=O)Nc(cc2)ccc2F,0.0
42234,CO-ADD:0230321,3.54,[n+](C)(cc1C)c(C)cc1c2ccccc2.[I-],0.0
42235,CO-ADD:0232265,3.54,c1(Nc2ccccc2)nc(N\N=C\c(ccc(c3O)OC)c3)nc(NCc4ccccc4)n1,0.0
42236,CO-ADD:0232105,3.54,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(COc3ccccc3C)=O,0.0
42237,CO-ADD:0232311,3.54,c1(N\N=C\c(ccc[n+]2C)c2)c(Cl)c(Cl)c(c(Cl)n1)C#N.[I-],0.0
42238,CO-ADD:0232281,3.54,C(C(OC)=O)(=C(C)NC(=C1C(OC)=O)C)C1c2ccc(cc2)Br,0.0
42239,CO-ADD:0232530,3.53,[N+](=O)([O-])c(cc1\C=N\NC(=O)c(cccn2)c2)cc(c1OC(=O)c3ccc(cc3)Br)Br,0.0
42240,CO-ADD:0222907,3.53,c1(NC(=O)c2ccccc2Cl)sc(c3c1C#N)CCCC3,0.0
42241,CO-ADD:0230300,3.53,C1(C)(\C(\C2)=N/N=C(\SC=C3c4ccccc4)/N3)C(C)(C)C2CC1,0.0
42242,CO-ADD:0228683,3.53,c1(nc(C)cc(C)n1)SC(Cl)(Cl)Cl,0.0
42243,CO-ADD:0230443,3.53,C1(N(C(C)=O)c2cccc(Br)c2)=C(NCc3ccccc3)C(c(cccc4)c4C1=O)=O,0.0
42244,CO-ADD:0228284,3.53,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)OC(c(cccc5[N+](=O)[O-])c5)O1,0.0
42245,CO-ADD:0223763,3.53,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(\C)/C2(CCCCC2)C)[N+](=O)[O-],0.0
42246,CO-ADD:0228063,3.53,c(cc(C)c(c1Br)C)(\C=N\c2c(O)ccc(Cl)c2)c1O,0.0
42247,CO-ADD:0223010,3.53,N1(CNc2ccccc2F)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OC)OC,0.0
42248,CO-ADD:0230801,3.53,C(F)(F)(F)c1ccccc1\N=C\c(ccc(c2CC=C)OCc(cc3)ccc3Br)c2,0.0
42249,CO-ADD:0232563,3.53,N1C(=O)\C(\SC1=S)=C\c(ccc(c2OC)OCc3ccccc3)c2,0.0
42250,CO-ADD:0231927,3.53,c1(\C=N\NC(CNc2ccccc2C)=O)cc(C)ccc1O,0.0
42251,CO-ADD:0231904,3.53,c1(c(Br)cc(cc1\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3)Br)OC(=O)c4cccc(C)c4,0.0
42252,CO-ADD:0232534,3.53,n1c(N)n[nH]c1\N=C\c2ccccc2OC,0.0
42253,CO-ADD:0235577,3.53,S(=O)(=O)(N(CC)CC)c(cccc1c2nnc(c3ccc(cc3)C)o2)c1,0.0
42254,CO-ADD:0235046,3.53,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cccc2[N+](=O)[O-])c2,0.0
42255,CO-ADD:0235278,3.53,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)Nc(ccc(c3Cl)F)c3,0.0
42256,CO-ADD:0235034,3.53,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)c(O)cc2[N+](=O)[O-],0.0
42257,CO-ADD:0223003,3.53,N1(CNc2ccccc2Cl)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OC)OC,0.0
42258,CO-ADD:0235272,3.53,C1(C)(c(cc2)ccc2[N+](=O)[O-])Sc(c3N1)cccc3,0.0
42259,CO-ADD:0248362,3.53,NC1=C(C(N2C3=CC=C(Cl)C=C3)=NC4=C(C=CC=C4)C2=O)SC(NC5=CC=CC=C5)=N1,0.0
42260,CO-ADD:0232437,3.53,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(COc3ccccc3C#N)=O,0.0
42261,CO-ADD:0235387,3.53,n1cn[nH]c1SCC(=O)Nc2ncccn2,0.0
42262,CO-ADD:0232675,3.53,N1(c2ccc(cc2)F)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Cl,0.0
42263,CO-ADD:0232438,3.53,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc2ccccc2C#N)=O)c3ccccc3Cl,0.0
42264,CO-ADD:0235179,3.53,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccccc3Br)OC)=C\c4cccs4,0.0
42265,CO-ADD:0223388,3.53,C(=O)(NCC1CCCO1)C(=O)NCC(C)C,0.0
42266,CO-ADD:0235555,3.53,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc4ccc(cn4)Cl)n2,0.0
42267,CO-ADD:0235310,3.53,N1(C(c(cccc2[N+](=O)[O-])c2)CC(c3cc(C)ccc3C)=N1)c4scc(c5ccc(cc5)Cl)n4.Br,0.0
42268,CO-ADD:0232805,3.53,C1(c2cccc(cccc3)c23)=NNC(c4c(OC)ccc(c4)[N+](=O)[O-])S1,0.0
42269,CO-ADD:0230693,3.53,C(COc1ccc(cc1Br)C)(=O)N\N=C(/C)\CC(=O)NCC(C)C,0.0
42270,CO-ADD:0232172,3.53,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(cccn2)c2)OC(c3ccccc3)=O)c1,0.0
42271,CO-ADD:0232609,3.53,C(=O)(NCc(cccn1)c1)\C=C\c(cc2)ccc2c3ccccc3,0.0
42272,CO-ADD:0235181,3.53,c1(c(C)cccc1C)OCC(=O)N\N=C\c(cc2)ccc2O,0.0
42273,CO-ADD:0231953,3.53,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(cc3)ccc3OC,0.0
42274,CO-ADD:0231929,3.53,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3cccc(cccc4)c34,0.0
42275,CO-ADD:0235334,3.53,C12=C(CC(C)(C)CC1=O)C(Nc(ccc(cccc3)c34)c24)c(ccc5c(cc6)c(OC)cc6[N+](=O)[O-])o5,0.0
42276,CO-ADD:0235812,3.53,N1(c2cccc(C)c2)C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
42277,CO-ADD:0235939,3.53,C(c1ccccc1)(=O)Nc(cc2)ccc2C(=O)NNC(C)=O,0.0
42278,CO-ADD:0235322,3.53,C1(C)(OCCO1)CC(=O)N\N=C\c2cccc(I)c2,0.0
42279,CO-ADD:0235323,3.53,c1(ccc(C)o1)C(=O)N\N=C\c(cc(OCO2)c2c3)c3Br,0.0
42280,CO-ADD:0248365,3.52,NC1=C(C(N2C3=CC=C(Cl)C=C3)=NC4=C(C=CC=C4)C2=O)SC(NC5=CC=C(CC)C=C5)=N1,0.0
42281,CO-ADD:0222964,3.52,C(=O)(C(NCCC(C)C)=O)Nc1cccc(Cl)c1C,0.0
42282,CO-ADD:0235374,3.52,c1(cc(ccc1N(C)C)\C=C(\C2=O)/Sc(c23)cccc3)[N+](=O)[O-],0.0
42283,CO-ADD:0235365,3.52,N1\C(=N/N=C/c2ccccc2F)\SC(CC(O)=O)C1=O,0.0
42284,CO-ADD:0235727,3.52,c(NC1CCCCC1)(nc(OCC)nc2NC3CCCCC3)n2,0.0
42285,CO-ADD:0232723,3.52,N(CC1)(CCN1c2c(C)cccc2C)c3c(C)cccc3C,0.0
42286,CO-ADD:0232774,3.52,n1c(c2ccc(cc2)I)csc1Nc(ccc(c3Cl)C)c3.Br,0.0
42287,CO-ADD:0231913,3.52,c1(ccccc1Br)C(=O)N\N=C\c(ccc(c2OC(=O)c3ccc(cc3)Br)OC(=O)c4ccc(cc4)Br)c2,0.0
42288,CO-ADD:0230740,3.52,C(N(CC)CC)(=S)Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I,0.0
42289,CO-ADD:0223267,3.52,[N+](=O)([O-])c1ccc(c(c1)\N=C\c(cccc2[N+](=O)[O-])c2)N,0.0
42290,CO-ADD:0235427,3.52,C(C#N)(C1c2ccc(cc2)Cl)=C(\N=C\OCC)OC(CC(C)(C)CC3=O)=C13,0.0
42291,CO-ADD:0235705,3.52,N(c1cccc(cccc2)c12)(C(=O)C(C3C4(Br)C(=C5C(OCC)=O)C)C5(C)C(C4C(N6c7cccc(cccc8)c78)=O)C6=O)C3=O,0.0
42292,CO-ADD:0232372,3.52,C1(Sc2ccc(\C=N\NC(=O)c(cccc3[N+](=O)[O-])c3)o2)=Nc(cccc4)c4C(=O)N1c5ccccc5,0.0
42293,CO-ADD:0235904,3.52,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c2ccccc2NC(C)=O,0.0
42294,CO-ADD:0235542,3.52,c1(NC(CSCC(=O)OCC(=O)c2ccc(cc2)Br)=O)sc(c(ccc3C(OC)=O)n1)c3,0.0
42295,CO-ADD:0232484,3.52,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
42296,CO-ADD:0235937,3.52,CC[N+]1(c2ccc(N)cc2)CCCCC1.[Cl-],0.0
42297,CO-ADD:0235914,3.52,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(=O)Nc(cc3)ccc3C(OCC)=O,0.0
42298,CO-ADD:0235777,3.52,N(=C(/C)\c1ccccc1)/NC(COc2ccccc2C#N)=O,0.0
42299,CO-ADD:0235430,3.52,C(C(OC)=O)(C1c2ccccc2F)=C(N)OC(CCCC3=O)=C13,0.0
42300,CO-ADD:0235388,3.52,c1(NC(COC(=O)C(C(C)C)NC(C)=O)=O)sc(c2c1C(OCC)=O)CCC2,0.0
42301,CO-ADD:0223247,3.52,c1(c(Br)cc(cc1\C=N\NC(CNc(cc2)ccc2C)=O)Br)OC(=O)c3ccco3,0.0
42302,CO-ADD:0222862,3.52,C(=O)(c1ccc(cc1)F)Nc2ccc(cc2C)Br,0.0
42303,CO-ADD:0235263,3.52,[N+](=O)([O-])\C=C\c1c(ccc(cccc2)c12)OCC(OCC)=O,0.0
42304,CO-ADD:0232123,3.52,c1(\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c(O)ccc(cccc3)c13,0.0
42305,CO-ADD:0235827,3.52,C(=O)(OCC(=O)c1ccc(cc1)Br)c2cccc(c2)c(cccc3C(=O)OCC(=O)c4ccc(cc4)Br)c3,0.0
42306,CO-ADD:0230127,3.52,S(Cc1ccccc1)(=O)(=O)N\N=C(/C)\c(cc2)ccc2NC(=O)c3ccc(c(OC)c3)OC,0.0
42307,CO-ADD:0223772,3.52,C(/NC1)(=N/[N+](=O)[O-])\N(C)CN1c(cc2)ccc2[N+](=O)[O-],0.0
42308,CO-ADD:0228265,3.52,S(=O)(=O)(Nc(cc1)ccc1I)c2c(Cl)ccc(c2)C(=O)Nc3ccccc3,0.0
42309,CO-ADD:0223159,3.52,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(=O)c(ccc(n2)CO)c2)Br,0.0
42310,CO-ADD:0230373,3.52,N(CC1)(CCN1C)c2ccc(cc2)Nc3ccnc(cccc4)c34,0.0
42311,CO-ADD:0223384,3.52,C(c1ccccc1)(=O)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3C,0.0
42312,CO-ADD:0223407,3.52,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)C(=O)NCC2CCCO2,0.0
42313,CO-ADD:0232680,3.52,C1(C(=O)OCC(C)C)=C(C)NC(NC1c2ccccc2OCC)=O,0.0
42314,CO-ADD:0235193,3.52,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5cccc(OC)c5)OC,0.0
42315,CO-ADD:0235286,3.52,N1\C(=N\N=C\c(cccc2[N+](=O)[O-])c2)\S\C(=C/c(ccc(c3[N+](=O)[O-])Cl)c3)\C1=O,0.0
42316,CO-ADD:0222889,3.52,[N+](=O)([O-])c1ccc(cc1)\C=N\c(cc2)ccc2\N=C\c(cc3)ccc3[N+](=O)[O-],0.0
42317,CO-ADD:0232364,3.52,C1(C(=O)Oc(cc2)ccc2OC)=Cc3c(OC1=O)cccc3,0.0
42318,CO-ADD:0232224,3.52,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(cccc4[N+](=O)[O-])c4,0.0
42319,CO-ADD:0235143,3.52,C(=N/Nc(cc1)ccc1Cl)(/C2=O)\C(=O)NC(=O)N2,0.0
42320,CO-ADD:0235356,3.51,c1(nonc1N)\C(=N\OCc2ccccc2Cl)\Nc(cc3)ccc3C,0.0
42321,CO-ADD:0232451,3.51,C(/N\N=C\C=C\C=C\C=C\C=C\C=C\c1ccco1)(\c2ccccn2)=N/c3ccccc3,0.0
42322,CO-ADD:0235877,3.51,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(CCC(=O)c2ccc(cc2)Cl)=O,0.0
42323,CO-ADD:0235314,3.51,c(CC(NC(=O)OC(C)(C)C)C(=O)Nc(cc1)ccc1C)(c2c([nH]3)cccc2)c3,0.0
42324,CO-ADD:0235318,3.51,C(=S)(c(cc1)cc(c1OC(=O)c(cc2OC)cc(c2OC)OC)OC)N(CC3)CCO3,0.0
42325,CO-ADD:0235105,3.51,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c2ccccc2C#N,0.0
42326,CO-ADD:0223366,3.51,c(\C=N\NC(CSc1ccc(c2n1)cccc2)=O)(cc(Br)cc3Br)c3O,0.0
42327,CO-ADD:0232414,3.51,C(=C\Nc(cccc1C(F)(F)F)c1)(/C2=O)\C(=O)OC(C)(C)O2,0.0
42328,CO-ADD:0223175,3.51,c1(C#N)c(C)cc(nc1SCC(=O)Nc2ccccc2C)C,0.0
42329,CO-ADD:0230387,3.51,S1(=O)(=O)c(cccc2)c2C(=O)N1CN(C#N)c3nc(Cl)nc(NC(C)(C)C)n3,0.0
42330,CO-ADD:0228611,3.51,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
42331,CO-ADD:0228595,3.51,n1c(c(ccc(c2F)OC)c2)csc1Nc3cccc(cccc4)c34.Br,0.0
42332,CO-ADD:0223630,3.51,N(/c(cc1)ccc1Br)=C\c2ccccc2Cl,0.0
42333,CO-ADD:0223119,3.51,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(COc2ccccc2C#N)=O,0.0
42334,CO-ADD:0222985,3.51,c1(c(Cl)ccc(Cl)c1)NC(CCC(NCC)=O)=O,0.0
42335,CO-ADD:0235128,3.51,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2cc(Br)ccc2OC(=O)c3ccccc3Cl,0.0
42336,CO-ADD:0232672,3.51,C1(C(=O)OC2CCCC2)=C(C)NC(NC1c(ccc(c34)OCO3)c4)=O,0.0
42337,CO-ADD:0232645,3.51,n1(c2C)c(ncc2C(C)=O)cc(c3ccc(cc3)Cl)n1,0.0
42338,CO-ADD:0235022,3.51,C(=C\c1ccccc1)/C(=O)c2ccc(cc2)\N=C\c(cc3)ccc3OC(CC)=O,0.0
42339,CO-ADD:0235258,3.51,[N+](=O)([O-])c1cc2c(cc1\C=N\c(cc3)ccc3Nc4ccccc4)OCO2,0.0
42340,CO-ADD:0230687,3.51,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C\c(ccc(c3OCC)OCC=C)c3,0.0
42341,CO-ADD:0223096,3.51,c1(cc(\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C\c3cccs3)cc(OC)c1O)[N+](=O)[O-],0.0
42342,CO-ADD:0228211,3.51,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)N\N=C\c3cccs3,0.0
42343,CO-ADD:0228627,3.51,C1(C)(CS(=O)(=O)c2ccc(cc2)Br)SC(=NN1C(C)=O)NC(C)=O,0.0
42344,CO-ADD:0228396,3.51,N(C(=O)\C(\S1)=C/c(cc2)ccc2N(CC)CC)=C1N3CCCCC3,0.0
42345,CO-ADD:0230119,3.51,C(/NC=O)(=C(\Cl)/SCc1ccccc1)\[P+](c2ccccc2)(c3ccccc3)c4ccccc4,0.0
42346,CO-ADD:0230544,3.51,C(Cc1ccccc1)(=O)N\N=C\C=C\c(cc2)ccc2N(C)C,0.0
42347,CO-ADD:0223464,3.51,c1(cn(cn1)CC(c2ccccc2)=O)[N+](=O)[O-],0.0
42348,CO-ADD:0228651,3.51,n1(c(C)c(nn1)\C(\C)=N\NC(=O)c(cccn2)c2)c3nonc3N,0.0
42349,CO-ADD:0230323,3.51,S(=O)(=O)(c1ccc(cc1)\N=C\c(cc2)ccc2[N+](=O)[O-])c3ccc(cc3)\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
42350,CO-ADD:0230128,3.51,S(Cc1ccccc1)(=O)(=O)N\N=C(/C)\c(cc2)ccc2NC(c3ccccc3)=O,0.0
42351,CO-ADD:0228425,3.51,C(=C\c(ccc(c1OC)OCc2ccc(cc2Cl)Cl)c1)(/C3=O)\C(=O)NC(=O)N3,0.0
42352,CO-ADD:0223225,3.51,c1(c(\C=N\NC(COc2ccccc2C#N)=O)ccc(O)c1OC)[N+](=O)[O-],0.0
42353,CO-ADD:0230492,3.51,C(=O)(C(NCCOC)=O)Nc1ccc(cc1C)Cl,0.0
42354,CO-ADD:0230463,3.51,C(=O)(Nc(cc1)ccc1OCCCCC)Nc(cc2)ccc2OCCCCCCCCCC,0.0
42355,CO-ADD:0228954,3.51,C(=C(\C)/C)(/Cc(c12)cccc1)\C2=O,0.0
42356,CO-ADD:0228854,3.51,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(ccc3c4ccc(cc4)Cl)o3,0.0
42357,CO-ADD:0228512,3.51,C(C#N)(C1c(cccc2C(F)(F)F)c2)=C(N)OC(N)=C1C#N,0.0
42358,CO-ADD:0228864,3.51,C1(CCCC)(N=Nc(cc2)ccc2Br)C(=O)N(N(c3ccccc3)C1=O)c4ccccc4,0.0
42359,CO-ADD:0228842,3.51,C(C(C)SCc1ccccc1)(=O)N\N=C\c(cc2)ccc2OCc3cccc(cccc4)c34,0.0
42360,CO-ADD:0230811,3.51,[N+](=O)([O-])c1ccc(c(\C=N\NC(=O)c2ccc(cc2)OCCCCCCCCCC)c1)C,0.0
42361,CO-ADD:0223114,3.51,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
42362,CO-ADD:0228587,3.51,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCO3)C1=O,0.0
42363,CO-ADD:0228545,3.51,c1(C#N)c(N)nc(c2c1c3ccc(c(OC)c3)OC)CCCCCC2,0.0
42364,CO-ADD:0230652,3.51,C1(C)(\C(\C2)=N\NC(N)=O)C(C)(C)C2CC1,0.0
42365,CO-ADD:0223484,3.51,c1(N=Nc(ccc(c2\C=N/c3cccc(C)c3)O)c2)nonc1N,0.0
42366,CO-ADD:0223254,3.51,[N+](=O)([O-])c1cccc(c1)\C=N\c(cc2)cc(c23)C=CC(=O)O3,0.0
42367,CO-ADD:0228696,3.5,N1(c2cccc(OC)c2)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
42368,CO-ADD:0228641,3.5,n1(c(C)c(nn1)\C(\C)=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2nonc2N,0.0
42369,CO-ADD:0232013,3.5,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cc4)ccc4Br,0.0
42370,CO-ADD:0228176,3.5,S1(=O)(=O)c2c(C(Nc3ccccc3C)=N1)ccc(c2)[N+](=O)[O-],0.0
42371,CO-ADD:0229944,3.5,c1(C#N)c(COC)cc(nc1SCC)C,0.0
42372,CO-ADD:0228032,3.5,c1(c2ccc(cc2)\N=C\c(cc(C)c(c3Br)C)c3O)sc(c4n1)cccc4,0.0
42373,CO-ADD:0228394,3.5,n1nc([nH]n1)Cc2ccccc2OC,0.0
42374,CO-ADD:0223217,3.5,c1(OCC(=O)N\N=C\c(cc2OCC)cc(c2O)Cl)c(Br)cc(cc1Br)Br,0.0
42375,CO-ADD:0232027,3.5,c1(oc(c2n1)ccc(c2)\N=C\c(c(C)c3Cl)c(O)c(c3C)Br)c4ccc(cc4Cl)F,0.0
42376,CO-ADD:0235330,3.5,c1(C#N)c2c(sc1\N=C\c(ccc3c(ccc(c4[N+](=O)[O-])Cl)c4)o3)CCCC2,0.0
42377,CO-ADD:0228523,3.5,C1(C#N)(C#N)C(c(cccc2C(F)(F)F)c2)C3C(C(C(O)=O)=C1N)=CCCC3,0.0
42378,CO-ADD:0223236,3.5,c1(c(Br)cc(cc1\C=N\NC(COc(cc2)ccc2Cl)=O)Br)OC(=O)c3ccco3,0.0
42379,CO-ADD:0228287,3.5,[C@@](C)(CC1)(C2\C(\C)=N/OC)C(C[C@H]2C(C)[N+](=O)[O-])C(C13)CC=C(CC(CC4)OC(C)=O)[C@@]34C,0.0
42380,CO-ADD:0223093,3.5,N(=C(/C)\c(cc1)ccc1c2ccccc2)/NC(COc(cc3)ccc3Cl)=O,0.0
42381,CO-ADD:0230613,3.5,c1(c(cccn2)c2)[nH]c(c3n1)cccc3,0.0
42382,CO-ADD:0228589,3.5,n1c(c2ccc(cc2)C)csc1Nc3cccc(OC)c3.Br,0.0
42383,CO-ADD:0228066,3.5,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O)Br,0.0
42384,CO-ADD:0228150,3.5,C(CNc1cccc(Br)c1)(=O)N\N=C\c2ccccc2,0.0
42385,CO-ADD:0228103,3.5,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(ccc(c3I)OC)c3,0.0
42386,CO-ADD:0228497,3.5,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C(/CCC2)\C2C(OCC)=O)c3c(OC)ccc(Cl)c3,0.0
42387,CO-ADD:0230223,3.5,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c(cc2)ccc2F,0.0
42388,CO-ADD:0228193,3.5,S(=O)(=O)(c(cccc1C(=O)Nc(cc2)ccc2C(C)=O)c1)N3CCCCC3,0.0
42389,CO-ADD:0230341,3.5,N1(C2CCCCC2)C(=O)c(cc3)c(c4C1=O)c(c3C5=O)c(cc4)C(N5C6CCCCC6)=O,0.0
42390,CO-ADD:0223343,3.5,c1(c(cn2)cnc2NC)oc(c3n1)ccc(Cl)c3,0.0
42391,CO-ADD:0228109,3.5,C(c1ccccc1)(=O)Oc2cc(ccc2OC(c3ccccc3)=O)\C=N\NC(=O)Cc4ccc(c(cccc5)c45)Br,0.0
42392,CO-ADD:0230225,3.5,C(=O)(Nc(cccc1C(=O)N\N=C\c(cc2)ccc2N(CC)CC)c1)c3ccccc3F,0.0
42393,CO-ADD:0232536,3.5,s1c(\N=C\c(cccc2[N+](=O)[O-])c2)nnc1c3ccccc3,0.0
42394,CO-ADD:0228121,3.5,c(\C=N\NC(CNc1cccc(cccc2)c12)=O)(cc(OCO3)c3c4)c4Br,0.0
42395,CO-ADD:0230170,3.5,C(OC)(=O)c1ccc(cc1)NC(CCCC(O)=O)=O,0.0
42396,CO-ADD:0232458,3.5,c1(c(O)c(\C=N\c(ccc(c2n3)oc3c4cccc(cccc5)c45)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
42397,CO-ADD:0231955,3.5,c1(oc(c2n1)ccc(c2)\N=C\c(cccc3[N+](=O)[O-])c3O)c4cc(Cl)ccc4Cl,0.0
42398,CO-ADD:0228697,3.5,c12c(cccc1\N=C\c3ccc[nH]3)C(=O)NNC2=O,0.0
42399,CO-ADD:0223684,3.5,C(=O)(N\N=C\c1cccc(Cl)c1)C(C)Oc(cc2)ccc2OCCCCC,0.0
42400,CO-ADD:0230062,3.5,C(CCCCCCCC)(O)(P(O)(O)=O)P(O)(O)=O,0.0
42401,CO-ADD:0230167,3.5,C(CCCC(=O)OCC(c1ccccc1)=O)(=O)Nc2ccccc2,0.0
42402,CO-ADD:0230103,3.5,c1(Br)c(ccc(cccc2)c12)OCC(=O)N\N=C\c3cccc(OC)c3,0.0
42403,CO-ADD:0223621,3.5,N(/c(cc1)ccc1Cl)=C\c(ccc(c2OC)OCCC)c2,0.0
42404,CO-ADD:0230578,3.5,[N+](=O)([O-])c1ccccc1C(=O)Nc(cc2)ccc2F,0.0
42405,CO-ADD:0223215,3.5,c1(cc(\C=N\NC(=O)Cc2cccc(cccc3)c23)cc(OC)c1O)[N+](=O)[O-],0.0
42406,CO-ADD:0287590,3.5,C(C#N)(C(c1ccc(cc1)F)C2=C(N3c4ccccc4C)CCCC2=O)=C3N,0.0
42407,CO-ADD:0291506,3.5,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(=O)Nc4c(Cl)ccc(Cl)c4)c1Cl,0.0
42408,CO-ADD:0285817,3.49,N1(C(C)(C)C)C(=O)c(c2C1=O)ccc(c2)C(=O)Nc(cccc3C(OC)=O)c3,0.0
42409,CO-ADD:0285867,3.49,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCC4(c5ccccc5)C(OCC)=O.Cl,0.0
42410,CO-ADD:0285284,3.49,N1(CNc2ccccc2Cl)C(=S)OC(c3ccccc3Br)=N1,0.0
42411,CO-ADD:0285484,3.49,n1c(N(CC2)CCO2)nc(c(ncn3CC(O)CN(CC4)CCO4)N)c13,0.0
42412,CO-ADD:0289225,3.49,N(CC1)CCC1Cc(cc2)ccc2COC.Cl,0.0
42413,CO-ADD:0287392,3.49,C(=S)(c1ccc(c(OCC)c1)O)N2CCC(CC2)C,0.0
42414,CO-ADD:0287617,3.49,C1=C(CC(C)(C)CC1=O)NNC(CCCCCCCCC=C)=O,0.0
42415,CO-ADD:0287254,3.49,C(C(OCC)=O)(Nc1ccccn1)(C(F)(F)F)NC(OCC)=O,0.0
42416,CO-ADD:0288453,3.49,n1(Cc2ccco2)c(C)cnc1C(CC3)CCN3.Cl.Cl,0.0
42417,CO-ADD:0291415,3.49,N1(C(=O)CN2CCCCC2)C(C)(C)C=C(c(cc3C(c4ccccc4)(c5ccccc5)c6ccccc6)c1cc3)C,0.0
42418,CO-ADD:0286204,3.49,c12c(ccc(Cl)c1)N=C(OC2=O)\C=C\c(cc3)ccc3[N+](=O)[O-],0.0
42419,CO-ADD:0285194,3.49,c1(N2CCCCC2)nc(CSC(N)=N)nc(N)n1.Cl,0.0
42420,CO-ADD:0287210,3.49,S(=O)(=O)(N(CC1)CCN1C)c2cc(ccc2N(CC3)CCN3)[N+](=O)[O-],0.0
42421,CO-ADD:0290426,3.49,c1(NC(=O)c2ccc(cc2)C)n(c3ccccc3)ncc1C(=O)N(CC4)CCN4Cc5ccccc5,0.0
42422,CO-ADD:0285002,3.49,c1(s2)c(c(c2C3)CCN3Cc4ccccc4)c(nc(SCC(c5ccccc5)=O)n1)N,0.0
42423,CO-ADD:0285858,3.49,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)CSc4oc(c5n4)cccc5)(C)C)=C1c6c3cc(C)c(C)c6,0.0
42424,CO-ADD:0285012,3.49,N1(c2ccc(cc2)Oc(cc3)ccc3N4C(=O)c5c(cccn5)C4=O)C(=O)c6c(cccn6)C1=O,0.0
42425,CO-ADD:0285640,3.49,S(CCCCCCCC)(CCCCCl)(=O)=O,0.0
42426,CO-ADD:0299383,3.49,C(=C\c(ccc1c2ccccc2F)o1)(/C(=O)N3CC)\C(=O)N(C3=S)CC,0.0
42427,CO-ADD:0288679,3.49,C(=O)(OC(C)(C)C)N(CCCC1c(n(CCC)c2C)nc2)C1,0.0
42428,CO-ADD:0291324,3.49,C1(C2c3ccc(cc3)Cl)=C(c4c(cccc4)OC1c5ccc(cc5)Cl)Nc6n2ncn6,0.0
42429,CO-ADD:0286077,3.49,C1(=O)Oc2c(C(C)=C1CC)ccc(OCC(C)C)c2,0.0
42430,CO-ADD:0290815,3.49,C1(C2c3ccc(c(Cl)c3)Cl)=C(c4c(cccc4)OC1=O)OC(N)=C2C(OCC)=O,0.0
42431,CO-ADD:0290951,3.49,S(=O)(=O)(c1cc(C)ccc1C)Oc2c(Cl)cc(c(cccn3)c23)Cl,0.0
42432,CO-ADD:0289103,3.49,N1(Cc2ccccc2)C(COCC1C(O)=O)=O,0.0
42433,CO-ADD:0289033,3.49,C(=O)(N1CCC(CC1)CC(O)=O)c2ccccc2Cl,0.0
42434,CO-ADD:0288960,3.49,C1(=NCC2)N2c3c(Oc(cccc4)c14)cccc3C#N,0.0
42435,CO-ADD:0288709,3.49,C(N)Cn(c1C)c(Cc2ccccc2)nc1.Cl.Cl,0.0
42436,CO-ADD:0299864,3.49,C(/C#N)(\C(OCC)=O)=C/c(ccc1c(c(C)ccc2[N+](=O)[O-])c2)o1,0.0
42437,CO-ADD:0286708,3.49,n1(c(cc2)ccc2C(O)=O)nnnc1SCc3c(C)ccc(cccc4)c34,0.0
42438,CO-ADD:0289089,3.49,c(C(=O)N(CCCC1C(O)=O)C1)([nH]c(c2C(OCC)=O)C)c2C,0.0
42439,CO-ADD:0288057,3.49,C1(c2ccccc2)(N3CCCC3)Oc(cccc4)c4C(C#Cc5ccccc5)=C1C,0.0
42440,CO-ADD:0288073,3.49,c1(C(OCC)=O)c(c2ccccc2)csc1NC(CSc3ccccc3)=O,0.0
42441,CO-ADD:0287786,3.48,c1(C#N)c(SCc2cccc(OC)c2)nsc1SCc3cccc(OC)c3,0.0
42442,CO-ADD:0286771,3.48,S(=O)(=O)(NC(C)c1ccccc1)c2ccccc2[N+](=O)[O-],0.0
42443,CO-ADD:0291360,3.48,N1=C(CC(NCCN(CC)CC)=O)c2c(cccc2)C(=O)N1,0.0
42444,CO-ADD:0291384,3.48,C12(c(cccc3)c3C(c4ccc(cc4)Cl)(c5ccc(cc5)Cl)S1)N(c6ccc(cc6)C)N=C(C(C)=O)S2,0.0
42445,CO-ADD:0291894,3.48,n1(cnnn1)c2c(OC)ccc(c2)[N+](=O)[O-],0.0
42446,CO-ADD:0285876,3.48,c1(CCN(C)C)c(CC#N)c2c(ccc(C)c2)[nH]1.[K+],0.0
42447,CO-ADD:0284941,3.48,N1(c2cc(C)cc(C)c2)C(c(cc3)ccc3C(OC)=O)Nc(c4C1=O)cccc4,0.0
42448,CO-ADD:0285309,3.48,C12(c(cccc3)c3C(c4ccccc4)(c5ccccc5)S1)N(c6ccc(cc6)Cl)N=C(C(C)=O)S2,0.0
42449,CO-ADD:0285877,3.48,N1(CCc2ccccc2)C(=O)CC(N(CC3)CCN3C(CC(N4CCc5ccccc5)=O)C4=O)C1=O,0.0
42450,CO-ADD:0299361,3.48,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(c5c4)OCCO5)c6ccccc6,0.0
42451,CO-ADD:0285300,3.48,C(C(=O)OC(C)CC)(C1c(cccn2)c2)=C(C)NC(CC(c3ccccc3)CC4=O)=C14,0.0
42452,CO-ADD:0285454,3.48,N(C(=O)\C=C\c1ccccc1)(C(C)C2)c3c(C2N(c4ccccc4)C(C)=O)cccc3,0.0
42453,CO-ADD:0290602,3.48,S(=O)(=O)(c1ccc(cc1)Cl)NC(C(Cl)(Cl)Cl)c2c3c([nH]c2C)cccc3.Cl,0.0
42454,CO-ADD:0286837,3.48,C1(Cl)(Cl)C(C1CC2)CCC3C2C3C(=O)Nc4c(C)cc(cc4C)C,0.0
42455,CO-ADD:0286157,3.48,n1(C)cnnc1SCC(=O)c2cccs2,0.0
42456,CO-ADD:0286461,3.48,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)Nc3scc(c4ccccc4)n3,0.0
42457,CO-ADD:0288881,3.48,c1(C)n(C2CCN(C(C)=O)CC2)c(c(n1)[N+](=O)[O-])C,0.0
42458,CO-ADD:0289358,3.48,c(C(OC)=O)(c1C)[nH]c(c1CNC(C)CC)C.Cl,0.0
42459,CO-ADD:0299891,3.48,S(=O)(=O)(N(CC1)CCN1C(c2ccccc2)c3ccccc3)c4cccc(nsn5)c45,0.0
42460,CO-ADD:0289228,3.48,C(=O)(OC(C)(C)C)N1CCC(CC1)Oc(ccn2)cc2,0.0
42461,CO-ADD:0290959,3.48,S(=O)(=O)(Oc1cccc(cccn2)c12)c3c(OC)ccc(I)c3,0.0
42462,CO-ADD:0291015,3.48,N12C(NC(=O)c(c3c(CCCCC3)s4)c14)=C(C(c5cccc(Cl)c5Cl)C6=C2CCCC6=O)C#N,0.0
42463,CO-ADD:0290768,3.48,N1(c(cccc2C(F)(F)F)c2)C(C(C)c3ccccc3)Nc(c4C1=O)cccc4,0.0
42464,CO-ADD:0288670,3.48,C(=O)(OC(C)(C)C)N1CCCCC1c2n(Cc3ccccc3)c(cn2)C,0.0
42465,CO-ADD:0289068,3.48,c(C(=O)N1CCC(CC1)CC(O)=O)(cn(n2)c3ccccc3)c2c4cccc(C)c4,0.0
42466,CO-ADD:0286517,3.48,N1(c2ccc(cc2)Oc(cc3)ccc3C#N)C(=O)CCC1=O,0.0
42467,CO-ADD:0286102,3.48,c(\C=N/NC(=O)c1cccc(OC)c1)(c2c([nH]3)cccc2)c3,0.0
42468,CO-ADD:0286846,3.48,n1nc(c2n1OCC(=O)c3ccc(cc3)OC)ccc(c2)[N+](=O)[O-],0.0
42469,CO-ADD:0286413,3.48,c1(c2ccccc2)c(c3ccccc3)nc(nn1)SC4CCCC4,0.0
42470,CO-ADD:0286173,3.48,c1(SCC(=O)Nc(ccc(c2C)C)c2)n(c3ccc(cc3)C)c(c(c4ccccc4)n1)c5ccccc5,0.0
42471,CO-ADD:0286216,3.48,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc2c3cc(Cl)cc(Cl)c3)o2,0.0
42472,CO-ADD:0287473,3.48,C(=O)(N\N=C\c(cc1)ccc1CC)C(=O)NC2CC2,0.0
42473,CO-ADD:0291548,3.48,c1(cn(nc1C(=O)NCC(O)=O)C)[N+](=O)[O-],0.0
42474,CO-ADD:0291900,3.48,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3OC)OC)=C(O)C(N2CCCCCC)=O,0.0
42475,CO-ADD:0285678,3.48,c1(C(NCCO)=O)c(O)cc(c2c1)cccc2,0.0
42476,CO-ADD:0290626,3.48,c1(Sc2ccccc2)c3c([nH]c1CCC(=O)N(CCO)CCO)cccc3,0.0
42477,CO-ADD:0291260,3.48,C(=C/c(cc1)ccc1F)(/C(C)=NN2c3ccc(cc3)C)\C2=O,0.0
42478,CO-ADD:0289186,3.48,C(O)(COc1cccc(Cl)c1)=O,0.0
42479,CO-ADD:0291152,3.48,c1(C2c3ccc(cc3)O)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
42480,CO-ADD:0291224,3.48,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3Cl)NC(=O)c4cc(c5o4)cccc5,0.0
42481,CO-ADD:0286349,3.48,c1(C(OC)=O)oc(c2c1NC(=O)CN3CCCC3)cccc2,0.0
42482,CO-ADD:0286543,3.48,C(=C\c(ccc1c2cccc(Cl)c2C)o1)(/C3=O)\Sc(c34)cccc4,0.0
42483,CO-ADD:0291379,3.47,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)NC4CC4)c1C)cc(OC)cc3,0.0
42484,CO-ADD:0162003,3.47,S(=O)(=O)(c1ccc(cc1)NC(c2ccccc2)=O)Nc3nc(C)cc(C)n3,0.0
42485,CO-ADD:0291387,3.47,C(C1CCCCC1)(=O)c2ccc(cc2)CC,0.0
42486,CO-ADD:0161851,3.47,c1(N(CC)CC)nc(N\N=C\c(cc(Br)cc2Br)c2O)nc(Nc3cc(C)ccc3C)n1,0.0
42487,CO-ADD:0285037,3.47,C1(C#N)(C#N)C(CCCCC)=C(C(N)=C1C#N)C(C)=O,0.0
42488,CO-ADD:0285182,3.47,C(=N\NC(=O)c1c(O)cc(c2c1)cccc2)(/C3=O)\c4c(N3)cc(Br)c(C)c4,0.0
42489,CO-ADD:0290533,3.47,[n+]1(cnn(Cc(cc2)ccc2Cl)c1)[N-][N+](=O)[O-],0.0
42490,CO-ADD:0287466,3.47,N1(N(C)C)\C(=N\c2ccccc2)\S\C(=C\c3cc(OCO4)c4cc3[N+](=O)[O-])\C1=O,0.0
42491,CO-ADD:0288072,3.47,C(OC(C)=O)(C(OC(C)=O)C(COC(C)=O)OC(C)=O)C(=O)Nc1ccccc1C,0.0
42492,CO-ADD:0287493,3.47,N1(NC(C)=O)C(=O)c2c(NC1c3ccc(cc3Cl)Cl)cccc2,0.0
42493,CO-ADD:0291855,3.47,[N+](=O)([O-])c(cc(cc1C(=O)Oc(cc2)ccc2c3cnc(c4n3)cccc4)[N+](=O)[O-])c1C,0.0
42494,CO-ADD:0291895,3.47,C(C(OCC)=O)(C(C)(O)CC(C1C(OCC)=O)=O)C1c2ccc(cc2)F,0.0
42495,CO-ADD:0291478,3.47,n12c(nc(cc1C(F)(F)F)c(ccc(c3Cl)Cl)c3)cc(C(NCCC)=O)n2,0.0
42496,CO-ADD:0285295,3.47,C(C(OCC)=O)(C1c2ccc(cc2)OCCC)=C(C)NC(CC(c3ccc(cc3)OC)CC4=O)=C14,0.0
42497,CO-ADD:0285623,3.47,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(CC)=O)n1,0.0
42498,CO-ADD:0291625,3.47,c1(C(NN)=O)[nH]nc(c2ccc(cc2)C)c1,0.0
42499,CO-ADD:0292002,3.47,n(Cc1ccc(cc1Cl)Cl)(c2c(c3\C=C(/C#N)\C(=O)N(CC4)CCO4)cccc2)c3,0.0
42500,CO-ADD:0290292,3.47,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c4cccc(c4)OCc5cccc(cccc6)c56)\C1=O)=NC(C)=C2C(OCC)=O,0.0
42501,CO-ADD:0286821,3.47,N1(Nc2ccccc2)C(=C)C(OC1=O)(C)CC,0.0
42502,CO-ADD:0286965,3.47,n1(c2c(c(nc(cccc3)c3n4)c14)cccc2)c5cc(C#N)c(cc5[N+](=O)[O-])C#N,0.0
42503,CO-ADD:0290305,3.47,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c(c(C)cc(c4C(C)C)OC)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
42504,CO-ADD:0291063,3.47,S(=O)(=O)(c1ccc(cc1C)C)n2c(C)ncc2[N+](=O)[O-],0.0
42505,CO-ADD:0290850,3.47,C1(NC(CSc(nnc(c23)c4c(cccc4)n2CC)n3)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
42506,CO-ADD:0290754,3.47,S(=O)(=O)(Oc1c(Br)cc(c(cccn2)c12)Br)c3ccc(c(Cl)c3Cl)Cl,0.0
42507,CO-ADD:0288941,3.47,n12c(c3c(Oc(cc4S(=O)(=O)N5CCCC5)c1nc4)cccc3)cc(CN6CCCC6)n2,0.0
42508,CO-ADD:0286463,3.47,c(c1c([nH]2)cccc1)(C3)c2CCN3C(=O)c(cc4)ccc4[N+](=O)[O-],0.0
42509,CO-ADD:0286895,3.47,c1(SC(c2ccccc2)c3ccccc3)sc4c(ccc(c4)NC(=O)c5ccccc5F)n1,0.0
42510,CO-ADD:0286457,3.47,C1(O)(C(F)(F)F)NC(SCC(=O)Nc(cc2)ccc2Br)=C(C(c3ccccc3Cl)C1C(=O)c4cccs4)C#N,0.0
42511,CO-ADD:0287425,3.47,C(C#N)(C1c2sccc2C)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
42512,CO-ADD:0287842,3.47,c1(OC(N)=C(C2c(cc3O)cc(c3Br)O)C#N)c2c(n[nH]1)C,0.0
42513,CO-ADD:0290940,3.47,C(C(OCC)=O)(C1c2ccc(c3c2)OCO3)=C(c4ccccc4)N=C5N1C(=O)CS5,0.0
42514,CO-ADD:0299717,3.47,c1(c2ccccc2Cl)nnc(SCC(c3ccccc3)=O)o1,0.0
42515,CO-ADD:0291683,3.47,c1(c(c2ccccc2)csc1NC(C)=O)C(=O)N(CC3)CCO3,0.0
42516,CO-ADD:0286623,3.47,C1(C(=O)NNC(=O)C(C)Oc(cc2)ccc2Cl)=Cc3c(OC1=O)cccc3,0.0
42517,CO-ADD:0285823,3.47,C1(C(c(cc2)ccc2[N+](=O)[O-])Oc(c3N1)ccc(Br)c3)(C=C4C(C)(C)C)C=C(C4=O)C(C)(C)C,0.0
42518,CO-ADD:0285847,3.47,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)C(F)(F)F)(C)C)=C1c4c3cc(C)c(C)c4,0.0
42519,CO-ADD:0285000,3.47,N1(c2ccc(cc2C)C)C(=O)c(c3C1=O)ccc(c3)C(=O)NC(=CNC(N4)=O)C4=O,0.0
42520,CO-ADD:0285628,3.47,c1(SCC(=O)Nc(cc2)ccn2)sc(c3n1)cccc3,0.0
42521,CO-ADD:0285239,3.47,C(=O)(c1ccc(cc1)Cl)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3F,0.0
42522,CO-ADD:0284999,3.47,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccccc4OCC)cccc3,0.0
42523,CO-ADD:0289271,3.47,C(CC(CC1)CCN1)(=O)NCc2cccc(C)c2.Cl,0.0
42524,CO-ADD:0288868,3.47,c(C1CC1)(n(c2C=O)Cc3ccccc3)nc2,0.0
42525,CO-ADD:0289359,3.46,c(C(=O)Nc(ccc1Cl)cc1)(nnc2C(OCC)=O)s2,0.0
42526,CO-ADD:0289163,3.46,N1(CCCCC1(C)C(O)=O)C(=O)OC(C)(C)C,0.0
42527,CO-ADD:0289143,3.46,c1(C2)c(CN2C(=O)OC(C)(C)C)n(nc1C(OCC)=O)C,0.0
42528,CO-ADD:0291648,3.46,c(NC(C)(C)C)(nc(Cl)nc1NC2CCCCC2)n1,0.0
42529,CO-ADD:0289167,3.46,N1(C(C)C)CC\C(\CC1)=C\C(OCC)=O,0.0
42530,CO-ADD:0289147,3.46,C1N(CC1Oc2ccc(C#N)cc2)C(OC(C)(C)C)=O,0.0
42531,CO-ADD:0288966,3.46,N12C(=NCC1)c3c(Oc(cc(cn4)C(F)(F)F)c24)cccc3,0.0
42532,CO-ADD:0285718,3.46,c1(c(SCc2ccccc2)cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc(cc3)ccc3Br,0.0
42533,CO-ADD:0285054,3.46,c12c(ccc(c1)[N+](=O)[O-])oc(\C=C(/C)\C)c2N(CC3)CCO3,0.0
42534,CO-ADD:0285390,3.46,C1(c2ccc(cc2)C)(c3ccc(cc3)C)c4c(C(=S)S1)cccc4,0.0
42535,CO-ADD:0290660,3.46,c1(SCC(=O)Nc2sccn2)nccn1C,0.0
42536,CO-ADD:0285344,3.46,P(c1ccccc1)(c2ccccc2)(=O)C(O)c(cc3)ccc3N(C)C,0.0
42537,CO-ADD:0285114,3.46,C(CC)(NC(=O)Nc1ccc(cc1Br)Br)(C(F)(F)F)C(F)(F)F,0.0
42538,CO-ADD:0290773,3.46,C(C(=O)OC(C)(C)C)(C1c2ccccc2)=C(O)C(N1c3ccc(cc3)OC)=O,0.0
42539,CO-ADD:0290957,3.46,C1(C(=O)Nc(cc2)ccc2N=Nc3ccccc3)=Cc4c(OC1=O)ccc(OC)c4,0.0
42540,CO-ADD:0286792,3.46,c1(Sc2ccccn2)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
42541,CO-ADD:0299992,3.46,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4OC)c(Br)cc4OC(C)=O)\C1=O,0.0
42542,CO-ADD:0285273,3.46,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4c5ccccc5C,0.0
42543,CO-ADD:0285281,3.46,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)S1)=C\c(ccc3c(cccc4C(F)(F)F)c4)o3,0.0
42544,CO-ADD:0285009,3.46,N1(c2ccc(cc2)Cc(cc3)ccc3N4C(=O)C(CC4=O)Sc5ccccc5)C(=O)C(CC1=O)Sc6ccccc6,0.0
42545,CO-ADD:0286083,3.46,N1(c2ccccc2)C(=O)CC(N(C)CCc3ccccn3)C1=O,0.0
42546,CO-ADD:0291757,3.46,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(ccc4c(c(C)ccc5[N+](=O)[O-])c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
42547,CO-ADD:0291141,3.46,N1(C)\C(=N/C)\S\C(=C/c2sccc2C)\C1=O,0.0
42548,CO-ADD:0289181,3.46,C(=O)(OC(C)(C)C)N(CCC1(F)C(O)=O)CC1,0.0
42549,CO-ADD:0288954,3.46,C1(=O)c2c(cccc2)Oc(c3)c(ccc3S(N)(=O)=O)N1C(C)C,0.0
42550,CO-ADD:0288571,3.46,C1(CCN(C1)C(OC(C)(C)C)=O)Cc2ncc(C)n2CCC,0.0
42551,CO-ADD:0288964,3.46,N12C(=NCC1)c3c(Oc(cc(C(OC)=O)cn4)c24)cccc3,0.0
42552,CO-ADD:0299647,3.46,c12c(c(c(C)s1)C)C(NC(SCC=C)=N2)=O,0.0
42553,CO-ADD:0288438,3.46,c1(C(CCN2)C2)ncc(C)n1Cc3ccccc3.Cl.Cl,0.0
42554,CO-ADD:0161896,3.46,n1c2c([nH]c1c3ccc(cc3)\N=C\c(cc4)ccc4Cl)ccc(c2)\N=C\c(cc5)ccc5Cl,0.0
42555,CO-ADD:0290820,3.46,C(C#N)(C1(CCCCC1)C(C#N)C(N2)=O)=C2SCc3ccccc3Br,0.0
42556,CO-ADD:0161904,3.46,N1\C(=N\N=C\c(cc2)ccc2[N+](=O)[O-])\S\C(=C\c(cc3)ccc3N(CC)CC)\C1=O,0.0
42557,CO-ADD:0292032,3.46,n(c(Oc(cc1)ccc1Cl)cc(n2)Cl)c2N,0.0
42558,CO-ADD:0290935,3.46,C1(C(=O)Nc2c(OC)ccc(OC)c2)C3C1C4CC3CC4,0.0
42559,CO-ADD:0291144,3.46,c1(S(CCCCCCCC)=O)c(N)c(c2s1)cc(c3n2)CCCC3,0.0
42560,CO-ADD:0290840,3.46,n1(c(ccc(c2)Cl)c2nn1)C(=O)c3ccco3,0.0
42561,CO-ADD:0290978,3.46,S1(=O)(=O)c(cccc2)c2C(NN(C(CC)=O)S(=O)(=O)c3ccc(cc3)C)=N1,0.0
42562,CO-ADD:0287713,3.46,C(=O)(N(CC1)CCN1c2ccccc2OC)c3cc(Br)cc(Br)c3,0.0
42563,CO-ADD:0287462,3.46,C(C#N)(C(c1cccs1)C2=C(N3c4ccccc4C#N)CC(C)(C)CC2=O)=C3N,0.0
42564,CO-ADD:0287574,3.46,n(Cc(c(C)c1)cc(c1Cn(c2c(n3)cccc2)c3C)C)(c4c(n5)cccc4)c5C,0.0
42565,CO-ADD:0286593,3.46,c1(\N=C/c(ccc(c23)OCO2)c3)sc(c4c1C(=O)NCc5ccccc5)CCCC4,0.0
42566,CO-ADD:0286802,3.46,C1(NN=C(c2ccc(cc2)C)S1)c3c(OC)ccc(cccc4)c34,0.0
42567,CO-ADD:0286970,3.46,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)F)c4sc(c5c4C(OC)=O)CCCC5,0.0
42568,CO-ADD:0299458,3.46,c1(cc(ccc1N(CC2)CCN2C(=O)c3ccc(cc3)F)[N+](=O)[O-])C(F)(F)F,0.0
42569,CO-ADD:0285865,3.46,c1(NC(=O)c(cccc2[N+](=O)[O-])c2C)sc(c3c1C(OCC)=O)CCCCC3,0.0
42570,CO-ADD:0285266,3.46,c1(c(cccc2C)c23)c(CC(C(Cl)Cl)S1)c(n3)C,0.0
42571,CO-ADD:0291726,3.46,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc2cc(ccc2N(CC3)CCO3)C(F)(F)F,0.0
42572,CO-ADD:0291107,3.46,C1(\C(=N\c(cc2)ccc2S(N)(=O)=O)\SS3)=C3C(Nc(ccc(OC)c4)c14)(C)C,0.0
42574,CO-ADD:0287650,3.46,C(=O)(OC(C)(C)C#C)c1ccccc1C(O)=O,0.0
42575,CO-ADD:0287955,3.46,n1(CC(O)=O)nc2c(cccc2)n1,0.0
42576,CO-ADD:0288468,3.46,c1(C2CC2)ncc(C)n1C(CCCN3)C3.Cl.Cl,0.0
42577,CO-ADD:0289250,3.46,c1(C2)c(ccc(c(cccn3)c3)c1)OCCN2.Cl,0.0
42578,CO-ADD:0299177,3.46,c1(cc2c(cc1NC(c3ccccc3)=O)OCCO2)C(=O)c4ccc(cc4)Br,0.0
42579,CO-ADD:0288700,3.46,n1(c(ncc1C)CCNC(=O)OC(C)(C)C)C2CCCCCC2,0.0
42580,CO-ADD:0285449,3.46,c(c(C)on1)(c1c2ccccc2)C(=O)N(CC3)CCN3c4c(cccc4[N+](=O)[O-])Cl,0.0
42581,CO-ADD:0299648,3.45,N1(CCN(C(C)=O)C1c2ccc(cc2)OC)S(=O)(=O)c3ccc(cc3)C,0.0
42582,CO-ADD:0291173,3.45,C(C(c1ccccc1)=O)(C2c3ccccc3OC)=C(O)C(N2CC4CCCO4)=O,0.0
42583,CO-ADD:0290829,3.45,c1(ccc(cc1[N+](=O)[O-])F)C(=O)Nc2cccc(C)c2C,0.0
42584,CO-ADD:0291262,3.45,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(c5)cc(c(O)c5C(C)(C)C)C(C)(C)C,0.0
42585,CO-ADD:0287183,3.45,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c4ccccc4Br,0.0
42586,CO-ADD:0291303,3.45,C(C(OCC)=O)(C(F)(F)F)(Nc1sc(c2c1C#N)CCCC2)NS(c3ccccc3)(=O)=O,0.0
42587,CO-ADD:0299468,3.45,N1(c2cccc(Cl)c2)NC(=O)c(c3C1=O)cccc3,0.0
42588,CO-ADD:0285890,3.45,C(C(OCCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4cc5c(cc4Cl)OCO5,0.0
42589,CO-ADD:0290281,3.45,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(c(cccc3)c3n4Cc5ccccc5Cl)c4)\N2C6CCCC6,0.0
42590,CO-ADD:0291118,3.45,C(c1c(cccc1)NC2(C)C)(\C(=N\c3cc(Cl)cc(Cl)c3)\SS4)=C24,0.0
42591,CO-ADD:0287675,3.45,N12C(S\C(=C\c(cc3OC)cc(c3OC)OC)\C1=O)=NC(C)=C(C(C)=O)C2c4ccccc4OC,0.0
42592,CO-ADD:0291442,3.45,c1(c2c(sc1NC(C)=O)CCCC2)C(=O)Nc(cc3)ccc3Br,0.0
42593,CO-ADD:0291498,3.45,c1(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3nc(C(=O)NCc(cc4)ccc4Cl)c1Cl,0.0
42594,CO-ADD:0291435,3.45,n(c1ccccc1Cl)(c2c(c3C(OCC)=O)cc(O)c(cccc4)c24)c3C,0.0
42595,CO-ADD:0288837,3.45,c(cc1F)cc(c1)CC(=O)NCC#C,0.0
42596,CO-ADD:0288861,3.45,c1(ccccc1)NC(=O)NCC#C,0.0
42597,CO-ADD:0288476,3.45,c1(c(ccn2)cc2)ncc(C)n1C(CCCN3)C3.Cl.Cl.Cl,0.0
42598,CO-ADD:0285164,3.45,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c(ccc2c3cccc(Cl)c3)o2)F,0.0
42599,CO-ADD:0290448,3.45,C1(OCc2ccccc2)C3OC(C(OCc4ccccc4)C1OCc5ccccc5)CO3,0.0
42600,CO-ADD:0290491,3.45,c1(S(CC)(=O)=O)c(C(c2ccccc2)=O)n(c3c1S(CC)(=O)=O)ccc(c4ccccc4)c3,0.0
42601,CO-ADD:0287570,3.45,N1(c(ccc(c2)Cl)c2OC1=O)C(=O)NC3CCCCC3,0.0
42602,CO-ADD:0290907,3.45,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)NCc(cccn4)c4)c1C)cc(OC)cc3,0.0
42603,CO-ADD:0290972,3.45,S1(=O)(=O)c(cccc2)c2C(N(C)CC(COc3cccc(cccc4)c34)OC(=O)c5ccccc5Br)=N1,0.0
42604,CO-ADD:0291408,3.45,C1(=Cc(cccc2CC=C)c2OC1=O)C(=O)Nc3ccccc3Oc4ccccc4,0.0
42605,CO-ADD:0287752,3.45,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c4ccc(cc4F)F)o3,0.0
42606,CO-ADD:0287387,3.45,c12c(cccc1)c(ccc2F)CSCC(=O)Nc(ccc(c34)cccc3)c4,0.0
42607,CO-ADD:0285435,3.45,C12(c3c(NC1=O)cccc3)C4=C(CC(C)(C)CC4=O)OC(CC(C)(C)CC5=O)=C25,0.0
42608,CO-ADD:0291860,3.45,c1(cnn(C)c1C(=O)Nc(cc2)ccc2OC)[N+](=O)[O-],0.0
42609,CO-ADD:0289210,3.45,N(Cc(ccc1F)cc1)(Cc(ccc(c2C3)OCCN3)c2)C(C)=O.Cl,0.0
42610,CO-ADD:0288451,3.45,c1(C(CCCN2)C2)n(CCC)c(cn1)C.Cl.Cl,0.0
42611,CO-ADD:0289226,3.45,n1(C(C)C)cnnc1CO,0.0
42612,CO-ADD:0289283,3.45,C(CCCN1)(C)(C1)C(N)=O.Cl,0.0
42613,CO-ADD:0288867,3.45,C(CC1)(c2ncc(n2C3CN(C(OC(C)(C)C)=O)CCC3)C=O)CCO1,0.0
42614,CO-ADD:0289215,3.45,c1(C2)c(ccc(c(cc3)ccn3)c1)OCCN2.Cl.Cl,0.0
42615,CO-ADD:0286766,3.44,N(CCS1)(C2=O)C1=NC(c(cc3)ccc3N(C)C)=C2C#N,0.0
42616,CO-ADD:0299881,3.44,c1(SCc2cccc(c2)CSc3nnnn3CC=C)nnnn1CC=C,0.0
42617,CO-ADD:0287811,3.44,c1(c(CCN(C)C1)nc(c2C#N)SCC(OCC)=O)c2c3cccs3,0.0
42618,CO-ADD:0285769,3.44,c1(N(CC2)CCN2C(=O)c3ccc(cc3)Br)sc(c4n1)cccc4,0.0
42619,CO-ADD:0286504,3.44,[N+](=O)([O-])c1cc(ccc1Oc(c(Br)c2)c(Br)cc2C(C)(C)c(cc3Br)cc(c3Oc4ccc(cc4[N+](=O)[O-])C#N)Br)C#N,0.0
42620,CO-ADD:0286528,3.44,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)S\C(\NCc(ccc(c34)OCO3)c4)=N/c(cc5)ccc5OCC,0.0
42621,CO-ADD:0161929,3.44,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c(ccc4c5ccc(cc5)Br)o4,0.0
42622,CO-ADD:0161683,3.44,c1(O)c(C)c(O)cc(C)c1\C=N\NC(COc(cc2)ccc2C)=O,0.0
42623,CO-ADD:0161691,3.44,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc(OCO2)c2c3)c3Br,0.0
42624,CO-ADD:0286609,3.44,C1(C(=O)NNC(=O)C(C)Oc(cc2)ccc2Br)=Cc3c(OC1=O)ccc(Br)c3,0.0
42625,CO-ADD:0292155,3.44,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(Br)c3,0.0
42626,CO-ADD:0291856,3.44,c1(c2c(sc1NC(CC)=O)CCC2)C(=O)Nc(cc3)ccc3C,0.0
42627,CO-ADD:0291592,3.44,C1(C2C(C)CCC)=C(c3c(cccc3)OC1=O)OC(N)=C2C#N,0.0
42628,CO-ADD:0287992,3.44,C(C(OC)=O)(C1c(cc2)ccc2c3ccccc3)=C(C)NC(CCCC4=O)=C14,0.0
42629,CO-ADD:0288048,3.44,C(/C(=O)NCc1ccco1)(\NC(=O)c(ccs2)c2)=C/c3cccs3,0.0
42630,CO-ADD:0288033,3.44,c1(N(CC2)CCO2)nc(CSc3[nH]c(c4n3)cccc4)nc(N)n1,0.0
42631,CO-ADD:0287293,3.44,N(C(=O)\C(\S1)=C/c2ccc(C)o2)=C1N3CCC(CC3)C,0.0
42632,CO-ADD:0292024,3.44,C(=C/c(c1c([nH]2)cccc1)c2)(/C(=O)NN3c4ccc(c(Cl)c4)Cl)\C3=O,0.0
42633,CO-ADD:0286261,3.44,N12[C@@]([H])(CSC1c3ccc(cc3)Br)C(N(c4ccc(cc4)F)C2=S)=O,0.0
42634,CO-ADD:0287827,3.44,c(cc1C)(c(F)cc1\C(\C)=N\Nc(cc2)ccc2F)N(CC3)CCN3CCC#N,0.0
42635,CO-ADD:0287211,3.44,N1(c2ccc(cc2)F)CC(CC1=O)C(NCCOc(cc3)ccc3Cl)=O,0.0
42636,CO-ADD:0291365,3.44,N1=C(CNC(=O)Cn(ccn2)c2)c(cccc3)c3C(=O)N1,0.0
42637,CO-ADD:0288967,3.44,N12C(=NC(C)C1)c3c(Oc(nccn4)c24)cccc3,0.0
42638,CO-ADD:0299688,3.44,N1(C(=O)c2cccc(Cl)c2)N=C(CC1(O)C(F)(F)F)C3CCCCC3,0.0
42639,CO-ADD:0290630,3.44,c12c(nc(C)nc1Nc(cc3)ccc3F)c4c(cccc4)o2,0.0
42640,CO-ADD:0286277,3.44,C1(=O)N(C(C)=O)C(C(O)N1C(C)=O)O,0.0
42641,CO-ADD:0299826,3.44,N1(C)C(=O)\C(=C\C=C\c2ccco2)\C(NC1=O)=O,0.0
42642,CO-ADD:0288735,3.44,c1nc([N+](=O)[O-])cn1Cc2sc(nn2)C(Nc3c(C)cccc3)=O,0.0
42643,CO-ADD:0300043,3.44,C(C#N)(C(CC(N1)=O)c(ccc(c2OCc3ccccc3)OC)c2)=C1SCC=C,0.0
42644,CO-ADD:0299868,3.44,C(=C/c(ccc1c(cc2)ccc2C(OC)=O)o1)(/C(C)=NN3c(cc4)ccc4S(N)(=O)=O)\C3=O,0.0
42645,CO-ADD:0291764,3.44,C1(C)(c2ccc(cc2)Br)SCC(=O)N1,0.0
42646,CO-ADD:0299277,3.44,c1(OC(N)=C(C2c3c(cccc3F)Cl)C#N)c2c(n[nH]1)CCC,0.0
42647,CO-ADD:0299469,3.44,N1(c2ccc(cc2)Cl)NC(=O)c(c3C1=O)cccc3,0.0
42648,CO-ADD:0299309,3.44,N1(C(C)(C)CC(C)=N1)C(C#N)c2ccccc2O,0.0
42649,CO-ADD:0291600,3.44,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc4c(OC)cc(c(OC)c4)Cl)c1Cl,0.0
42650,CO-ADD:0291553,3.44,N1(C(CC)=O)C(c(cccc2[N+](=O)[O-])c2)C3C(C(CC4)CCN34)=N1,0.0
42651,CO-ADD:0291402,3.44,S(N)(=O)(=O)c1ccc(cc1)\N=C\c(ccc(c2[N+](=O)[O-])N(C)C)c2,0.0
42652,CO-ADD:0287778,3.44,S(c1ccccc1)(=O)(=O)NC(C(Cl)(Cl)Cl)c2c3c([nH]c2)cccc3,0.0
42653,CO-ADD:0287780,3.44,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc5c(C)cc(cc5C)C)c3,0.0
42654,CO-ADD:0290632,3.44,c(Sc1nccn1C)(n2)nc(nc2Nc3ccccc3C)Nc4ccccc4C,0.0
42655,CO-ADD:0299196,3.44,C1(C(F)(F)F)(C(F)(F)F)C=C(C)N(C(N)=C1C#N)c(cc2)ccc2C(C)=O,0.0
42656,CO-ADD:0287279,3.44,N1=C(SCC(c2ccccc2)=O)NC3(CCCCC3)C4=C1CCCC4.Br,0.0
42657,CO-ADD:0288823,3.44,C1(CCOCC1)C(NCC#C)=O,0.0
42658,CO-ADD:0289299,3.43,C(O)(=O)c1cccc(OC(CC2)CCN2)c1.Cl,0.0
42659,CO-ADD:0291617,3.43,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc5c(ccc(c6[N+](=O)[O-])C)c6)o5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
42660,CO-ADD:0290872,3.43,C1(C)(C(OCC)=O)C(=O)OC(C(C)(C)C1=O)c2ccc(cc2Cl)Cl,0.0
42661,CO-ADD:0300020,3.43,c12c(n(c(SCC(N)=O)n1)CCCCCCCC)C(N(C)C(=O)N2C)=O,0.0
42662,CO-ADD:0286129,3.43,n(c(N)cc(n1)O)c1SCc2ccc(c3c2cccc3)F,0.0
42663,CO-ADD:0286521,3.43,N1(c2ccc(cc2)OCCCCCC)C(=O)C(CC1=O)S\C(\NCc(cc3)ccc3OC)=N\c(cc4)ccc4Cl,0.0
42664,CO-ADD:0285147,3.43,N1(C)\C(=N/C)\S\C(=C/c(cn(n2)C(C)=O)c2c3ccccc3)\C1=O,0.0
42665,CO-ADD:0285211,3.43,C(=C(/CCC)\O)(/C(=O)NC(N1)=O)\C1=O,0.0
42666,CO-ADD:0292015,3.43,C1(c2ccccc2Br)=NNC(=S)N1C,0.0
42667,CO-ADD:0290555,3.43,n1c(c(c2)cc(c(O)c2C(C)(C)C)C(C)(C)C)[nH]c(c3ccccc3)c1c(ccc(c45)c6c(cccc6)s4)c5,0.0
42668,CO-ADD:0285136,3.43,N1(c2ccc(c(C)c2)C)C(=O)\C(\SC1=N)=C\c(cc3)ccc3C,0.0
42669,CO-ADD:0299262,3.43,C1(C(F)(F)F)(C(F)(F)F)C=C(C)N(C(N)=C1C#N)c(cc2)ccc2S(=O)(=O)Nc3sccn3,0.0
42670,CO-ADD:0291555,3.43,c1(Nc2ccccc2C)c(cccc3C)c3nc(Cl)c1Cl,0.0
42671,CO-ADD:0291444,3.43,c1(c2c(sc1NC(Cc3ccccc3)=O)CCCC2)C(=O)Nc(cc4)ccc4Br,0.0
42672,CO-ADD:0286257,3.43,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
42673,CO-ADD:0286210,3.43,C(=S)(N(CC1)CCN1C(OCC)=O)NC(=O)c2ccc(cc2)F,0.0
42674,CO-ADD:0285859,3.43,C1(S2)(SC(=C2C(OCC)=O)C(OCC)=O)C(C(OCC)=O)=C(C(OCC)=O)SC(C(N3C(=O)Cc4ccccc4)(C)C)=C1c(cc(OCC)cc5)c35,0.0
42675,CO-ADD:0290619,3.43,[n+]1(cn(cn1)CC(=O)Nc(cc2)ccc2NC(=O)Cn(nc[n+]3[N-][N+](=O)[O-])c3)[N-][N+](=O)[O-],0.0
42676,CO-ADD:0290334,3.43,N(C(=O)c1ccc(cc1)NC(=O)\C=C\c2ccco2)c3sccn3,0.0
42677,CO-ADD:0287280,3.43,C1(=N)SCCN1CC(=O)c2ccc(cc2)Br.Br,0.0
42678,CO-ADD:0287940,3.43,c1(N\N=C\c(cc(OCO2)c2c3)c3Cl)nncn1N.Cl.Cl,0.0
42679,CO-ADD:0287659,3.43,c1(C(=O)N(C)C)c(cc(cc1[N+](=O)[O-])F)[N+](=O)[O-].c2(c(F)cc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)N(C)C,0.0
42680,CO-ADD:0286636,3.43,c1(\N=C/c(ccc(c2OC)OCc3ccccc3C#N)c2)sc(c4c1C(=O)NCc5ccccc5)CCCC4,0.0
42681,CO-ADD:0288839,3.43,C1(CCCCN1C(=O)OC(C)(C)C)C(NCC#C)=O,0.0
42682,CO-ADD:0288863,3.43,c(c(Cl)cc1)cc1c(n2CCC)ncc2C,0.0
42683,CO-ADD:0288879,3.43,c(C)(n(c1C)C2CCNCC2)nc1[N+](=O)[O-].Cl.Cl,0.0
42684,CO-ADD:0291000,3.43,N1=C(SCCOc2ccccc2OC)Nc(c3C1=O)cccc3,0.0
42685,CO-ADD:0290936,3.43,C1(c2cccc(OC)c2)(c3cccc(OC)c3)CC1C(=O)Nc4cccc(cccc5)c45,0.0
42686,CO-ADD:0287188,3.43,C(C(OC)=O)(=C(C)NC(=C1C#N)S)C1c(cccn2)c2.Cl.Cl,0.0
42687,CO-ADD:0288604,3.43,C(=O)(OC(C)(C)C)N(CCC1n2c(C)cnc2c3ccncc3)CC1,0.0
42688,CO-ADD:0290449,3.43,[C@H]12[C@H](O1)[C@H](O[C@@H]3C2OS(=O)(=O)c4ccc(cc4)C)CO3,0.0
42689,CO-ADD:0290478,3.43,C(/S(CCCC)(=O)=O)(\S(CCCC)(=O)=O)=C(/N1)\Nc(c12)cccc2,0.0
42690,CO-ADD:0290687,3.43,c(C(OCC)=O)(c(C)nc(c1C(OCC)=O)C)c1c2ccc(cc2)OC,0.0
42691,CO-ADD:0290696,3.43,S(=O)(=O)(c1ccc(cc1)C=O)Oc(cc2)ccc2OC,0.0
42692,CO-ADD:0299289,3.43,c1(OC(N)=C(C2c(cc3OC)cc(c3OC)OC)C#N)c2c(n[nH]1)CCC,0.0
42693,CO-ADD:0287865,3.43,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c(cc4)cc(c4Oc5ccc(cc5C(F)(F)F)[N+](=O)[O-])OC)\C1=O,0.0
42694,CO-ADD:0287561,3.43,c1(C(OCC)=O)c(c2ccccc2)csc1NC(CC)=O,0.0
42695,CO-ADD:0292124,3.43,C(/C1)(=C/c(cccn2)c2)\C(=O)\C(\CN1C)=C\c(cccn3)c3,0.0
42696,CO-ADD:0291508,3.43,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(NCCCN(CC4)CCO4)=O)c1Cl,0.0
42697,CO-ADD:0285875,3.43,P(OCC)(c1ccccc1)(=O)CN(CC2)CCO2,0.0
42698,CO-ADD:0285278,3.43,c1(NC(=O)c(cc2)ccc2c3ccccc3)sc(c4c1C(N)=O)CCCC4,0.0
42699,CO-ADD:0285294,3.42,C1(C(=O)OCC2CCCO2)=C(C)NC(=C3C1c4cc5c(cc4Cl)OCO5)CCCC3=O,0.0
42700,CO-ADD:0289362,3.42,n1c(CCN)n[nH]c1c(ccc(OCO2)c23)c3.Cl.Cl,0.0
42701,CO-ADD:0285989,3.42,O=C(C1=CC=NC=C1)N/N=C2C[C@@H]3[C@H](COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C[C@H](CO)[C@@H]3C\2,0.0
42702,CO-ADD:0285968,3.42,O=C1C[C@@H]2[C@@H](Cl)C[C@H](O1)[C@H]2/C=N/NC(C3=CC=NC=C3)=O,0.0
42703,CO-ADD:0289190,3.42,C(CC1)(CCN1)(Cc(cc2)ccc2OC)C(O)=O.Cl,0.0
42704,CO-ADD:0288661,3.42,C(C1CC1)n2c(ncc2C)C3N(C(OC(C)(C)C)=O)CCCC3,0.0
42705,CO-ADD:0287204,3.42,N(=C1S)C(=O)C(C(=O)N1)NC(C)=O,0.0
42706,CO-ADD:0287813,3.42,C1(C#N)(C#N)[C@H](c2cccs2)[C@@]([H])(C3)C(C(C#N)=C1N)=CCN3C(OCC)=O,0.0
42707,CO-ADD:0287501,3.42,C(=C(/O)\C(\O)=C\C(=O)c1ccc(cc1C)C)/C(=O)c2ccc(cc2C)C,0.0
42708,CO-ADD:0290848,3.42,N1(CCSc2nnc(SCCN3C(=O)c4c(cccc4)C3=O)s2)C(=O)c(c5C1=O)cccc5,0.0
42709,CO-ADD:0290465,3.42,c1(N(CC2)CCO2)nsnc1O,0.0
42710,CO-ADD:0288655,3.42,C(OC(C)(C)C)(=O)N(CC1n(c2C)c(C3CCC3)nc2)CC1,0.0
42711,CO-ADD:0291589,3.42,n1c(c2ccc(cc2)OC)csc1\C(\C#N)=C/c(cccc3[N+](=O)[O-])c3,0.0
42712,CO-ADD:0285630,3.42,C(C(N)=O)(C1c2ccc(cc2)Cl)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
42713,CO-ADD:0285280,3.42,C1(C2OC(C=C2)C1C(O)=O)C(=O)Nc3sccn3,0.0
42714,CO-ADD:0285664,3.42,c1(cc(cc(Sc(cc2)ccc2F)c1C(N)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
42715,CO-ADD:0291817,3.42,S(=O)(=O)(Nc(cc1)ccc1[N+](=O)[O-])c2cccs2,0.0
42716,CO-ADD:0287974,3.42,C(C(=O)Nc1ccccc1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c5c4)OCO5,0.0
42717,CO-ADD:0289251,3.42,N1(C)C(=O)C=CC(C2)=C1CCN2.Cl,0.0
42718,CO-ADD:0289070,3.42,c(C(=O)OC(C)C)(c(C)[nH]c1C(=O)N(CCCC2C(O)=O)C2)c1C,0.0
42719,CO-ADD:0290372,3.42,n1(c2ccc(cc2)Sc(cc3)ccc3[N+](=O)[O-])c(C)c(cc1C)C=O,0.0
42720,CO-ADD:0288022,3.42,c1(cc(cc(SCC(OC)=O)c1NC(OC)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
42721,CO-ADD:0291375,3.42,N1(C(=O)CSc2nncn2C)c3c(cccc3)Sc(ccc(c4)C(F)(F)F)c14,0.0
42722,CO-ADD:0300060,3.42,N1(c2ccccc2)C(=O)\C(=C\C=C\c3ccccc3[N+](=O)[O-])\C(NC1=S)=O,0.0
42723,CO-ADD:0300087,3.42,c1(SCc2[nH]c(c(ccc3[N+](=O)[O-])n2)c3)n(CC)c4c(cccc4)n1,0.0
42724,CO-ADD:0289115,3.42,c(C(=O)Nc(cc1)ccc1F)(nnc2C(O)=O)s2,0.0
42725,CO-ADD:0290714,3.42,S(=O)(=O)(c1ccc(c(C)c1Cl)Cl)n2c3c(nc2)cccc3,0.0
42726,CO-ADD:0290946,3.42,c1(c(C)c(sc1NC(=O)c(cccc2C(F)(F)F)c2)C)C(=O)OC(C)C,0.0
42727,CO-ADD:0290681,3.42,C(O)(=O)CCSCCCCCCCCCC,0.0
42728,CO-ADD:0291640,3.42,n1(CC(O)CNc(cc2)ccc2I)c3c(c(cc(I)cc4)c14)cc(I)cc3,0.0
42729,CO-ADD:0291680,3.42,c1(NC(C)=O)sc(c(c2ccccc2)c1C(OCC)=O)C,0.0
42730,CO-ADD:0299412,3.42,C(C#N)(=C(c1ccccc1)N=C(N2C)SC)C2=O,0.0
42731,CO-ADD:0290350,3.42,C(=O)(CC(C)Nc1ccccc1)C2C(C)C=CCC2(C)C.Cl,0.0
42732,CO-ADD:0299179,3.42,N1(Cc(cc2)ccc2Cl)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
42733,CO-ADD:0287390,3.42,n1c2c(oc1c3ccccc3)ccc(c2)NCc4ccccc4OCC(=O)N(CC5)CCO5,0.0
42734,CO-ADD:0287919,3.42,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)Nc(cc3)ccc3OC)c4ccc(cc4)F,0.0
42735,CO-ADD:0285223,3.42,C(=N/c(cc1)ccc1OCC)(/SC=C2c3ccc(c(C)c3)C)\N2CC.Br,0.0
42736,CO-ADD:0291979,3.42,c1(Nc(cc2)ccc2OCC)nc3c(nc1Nc(cc4)ccc4OCC)cccc3,0.0
42737,CO-ADD:0288824,3.42,C1(CCC1)C(=O)NCC#C,0.0
42738,CO-ADD:0300010,3.42,c1(CC2(C)C)c(ccc(cccc3)c13)\C(\N2)=C\C#N,0.0
42739,CO-ADD:0300074,3.42,C(O)(c1ccccc1)(CC(=O)c2cccs2)C(F)(F)F,0.0
42740,CO-ADD:0299887,3.42,c1(OCc2ccccc2C)c(OCC)cc(cc1Br)C=O,0.0
42741,CO-ADD:0288543,3.42,c1(c(cccn2)c2)ncc(C)n1CC(CC3)CCN3.Cl.Cl.Cl,0.0
42742,CO-ADD:0289056,3.42,c1(C(=O)Nc2cccc(F)c2)nnc(SCC(O)=O)s1,0.0
42743,CO-ADD:0289010,3.41,c1(C(=O)Nc2ccccc2F)sc(nn1)COc(cc3)ccc3C(O)=O,0.0
42744,CO-ADD:0288643,3.41,C(CNC(=O)OC(C)(C)C)n(c(c1)C)c(COC)n1,0.0
42745,CO-ADD:0285191,3.41,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(cc3OCC)cc(c3O)I)\C1=O)C,0.0
42746,CO-ADD:0290748,3.41,S(=O)(=O)(c1c(OCC)ccc(OCC)c1)n2cnc(cc(C)c(C)c3)c23,0.0
42747,CO-ADD:0291964,3.41,C(/c1c2cccc1)(\C(=S)C(N2C(CCC)=O)(C)C)=C(\S3)/SC(=C3C(OC)=O)C(OC)=O,0.0
42748,CO-ADD:0290497,3.41,C(=O)(Nc(cc1)ccc1C(=O)OCC(=O)c2ccc(cc2)Cl)c3ccc(c(Br)c3)C,0.0
42749,CO-ADD:0287138,3.41,c(C(=O)OCc1ccccc1)(c(C)c(c2Cc(c(CCC(OC)=O)c(c3C(=O)OCc4ccccc4)C)[nH]3)CCC(OC)=O)[nH]2,0.0
42750,CO-ADD:0290402,3.41,C(=N\c(ccc(c1C(F)(F)F)Cl)c1)(/SC(C(O)=O)CC2=O)\N2C,0.0
42751,CO-ADD:0285158,3.41,C1(SCC(=O)NCc2ccccc2)=NC(c3ccccc3)CC(=O)N1,0.0
42752,CO-ADD:0287812,3.41,C(C#N)(C1(CCCCC1)C(C#N)C(N2)=O)=C2SCc(cc3)ccc3Br,0.0
42753,CO-ADD:0299430,3.41,N1(c2cccc(C)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cccc(cccc5)c45,0.0
42754,CO-ADD:0299353,3.41,n1c2c([nH]c1SCc3ccc(cc3Cl)F)cccc2C,0.0
42755,CO-ADD:0287190,3.41,c(c(COC)[nH]n1)(C2c3cccc(Br)c3)c1OC(N)=C2C#N,0.0
42756,CO-ADD:0286154,3.41,N1(CN2CCC(CC2)C)C(=S)OC(c3ccc(cc3Cl)Cl)=N1,0.0
42757,CO-ADD:0286874,3.41,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc5c(C)cc(cc5C)C)c3)nnc1c(cc6)ccc6C(C)(C)C,0.0
42758,CO-ADD:0285276,3.41,N(/NC(=O)c1cccc(Cl)c1)=C(/C)\c2cccs2,0.0
42759,CO-ADD:0291271,3.41,C(=O)(N(C1CCCCC1)C2CCCCC2)c3ccccc3C(OCC#C)=O,0.0
42760,CO-ADD:0299345,3.41,C1(C2c3ccc(cc3)C#N)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
42761,CO-ADD:0286977,3.41,c(C#N)(c(SCC(O)=O)nc(c1C#N)N)c1c(cc2OC)cc(c2OC)OC,0.0
42762,CO-ADD:0295533,3.41,C1(N(CCC)CCOC1=O)CC(=O)Nc(cc2)ccc2OCC,0.0
42763,CO-ADD:0293222,3.41,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)C#N,0.0
42764,CO-ADD:0295427,3.41,S(=O)(=O)(N(CC1)CCO1)c2c(NCCCc3ccccc3)ccc(c2)[N+](=O)[O-],0.0
42765,CO-ADD:0293828,3.41,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(c3ccccc3)c1CN4CCC(CC4)C,0.0
42766,CO-ADD:0295736,3.41,c1(NC(=O)c2ccc(cc2NS(=O)(=O)c3ccc(cc3)C)Cl)sc(c4c1C(OCC)=O)CCCC4,0.0
42767,CO-ADD:0293793,3.41,c(C(OCC)=O)(c(cc(O)c(c1)Br)c1n2Cc3ccccc3)c2CN(CC4)CCN4c5ccccc5C,0.0
42768,CO-ADD:0294896,3.41,c(c(Br)cn1)(n1C)C(=O)Nc(cc2)ccc2C(OC)=O,0.0
42769,CO-ADD:0295750,3.41,C1(C)(C)C(C1(C)C)C(=O)N(CC2)CCN2C(c3ccccc3)=O,0.0
42770,CO-ADD:0294951,3.41,c12c(n(c(N3CCCC3)n1)C)C(N(C)C(=O)N2C)=O,0.0
42771,CO-ADD:0292861,3.41,c(\C=N/NC(=O)c1ccoc1C)(cn(n2)Cc3c(cccc3Cl)Cl)c2c4ccccc4,0.0
42772,CO-ADD:0293822,3.41,N1(CC(=O)NCc2ccccc2)C(=O)c3c(C(C)=N1)cccc3,0.0
42773,CO-ADD:0295890,3.41,c1(OC(N)=C(C2c(cccc3[N+](=O)[O-])c3)C#N)c2c(n[nH]1)CC,0.0
42774,CO-ADD:0299409,3.41,N1(c(cc2)ccc2C(OC)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)Oc4ccccc4,0.0
42775,CO-ADD:0285531,3.41,c1(\C(\CCC2)=N\OC(=O)c3ccc(cc3)OC)c2non1,0.0
42776,CO-ADD:0299555,3.41,c1(NC(=O)c2cc(ccc2N3CCCCC3)[N+](=O)[O-])sc(c4c1C(OCC)=O)CCCC4,0.0
42777,CO-ADD:0286388,3.41,C(C#N)(C(CC(N1)=O)c(cccc2[N+](=O)[O-])c2)=C1SC,0.0
42778,CO-ADD:0287408,3.41,N1(C2c3cccc(OC)c3)C(S\C(=C/c4cc(Cl)cc(Cl)c4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
42779,CO-ADD:0286280,3.41,C12(c(cccc3)c3C(c4ccc(cc4)C)(c5ccc(cc5)C)S1)N(c6ccccc6)N=C(C(c7ccccc7)=O)S2,0.0
42780,CO-ADD:0293780,3.41,n1(C(=O)CSC(N(CC)CC)=S)c2c(c(CCCC3)c13)cccc2,0.0
42781,CO-ADD:0293582,3.41,C1(Nc2ccccc2)=C(C(OCC)=O)C(\C(=C\c(ccc(c34)OCO3)c4)\S1)=O,0.0
42782,CO-ADD:0293245,3.41,N12c(c(C3C(CC=C3)C1)c4)c(C5C(CC=C5)C2c6ccccc6F)cc4C(O)=O,0.0
42783,CO-ADD:0293924,3.41,n1(c(cc2)ccc2C(N)=O)nnnc1SCCN(C)C,0.0
42785,CO-ADD:0294614,3.41,c1(scc(c2ccccc2)n1)NC(=O)c3ccc(c(cccc4[N+](=O)[O-])c4)o3,0.0
42786,CO-ADD:0295851,3.41,c1(OC(N)=C(C2c3c4c(cccc4)cc(cccc5)c35)C#N)c2c(n[nH]1)CCC,0.0
42787,CO-ADD:0292664,3.41,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc(cc4OC)cc(c4OC)OC)n2,0.0
42788,CO-ADD:0292649,3.41,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc2C(=O)N(Cc4ccccc4)Cc5ccccc5,0.0
42789,CO-ADD:0292599,3.41,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(ccc3c(cc4)ccc4C(OCC)=O)o3,0.0
42790,CO-ADD:0292840,3.41,c1(N(CC2)CCN2C(=O)C(C)Sc3sc4c(ccc(OCC)c4)n3)sc(c(ccc5[N+](=O)[O-])n1)c5,0.0
42791,CO-ADD:0295712,3.41,C(C(OCC)=O)(C(F)(F)F)(NC(OCC)=O)Nc1sc(c(CC)c1C#N)C,0.0
42792,CO-ADD:0292018,3.41,N1(C2c3ccc(cc3)C)C(S\C(=C/c(cc(n4c5ccc(c(C)c5)I)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
42793,CO-ADD:0290601,3.41,c1(N(CC2)CCO2)nc(NCC=C)nc(Nc(cc3)ccc3C(C)C)n1,0.0
42794,CO-ADD:0290618,3.41,c1(c2cccc(n2)c3nnc(c(cc4)ccc4C(C)(C)C)o3)nnc(c(cc5)ccc5C(C)(C)C)o1,0.0
42795,CO-ADD:0286712,3.41,n1(c(cc2)ccc2C(OC)=O)nnnc1SCc3c(C)ccc(cccc4)c34,0.0
42796,CO-ADD:0299728,3.41,[N+](=O)([O-])c1ccc(c2c1cccn2)NC(C)c3ccc(cc3)Br,0.0
42797,CO-ADD:0292830,3.41,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(cc3)Cl)=C(O)C(N2CCCCCC(O)=O)=O,0.0
42798,CO-ADD:0293611,3.41,S(=O)(=O)(CCC(=O)NC(C1)(CC(C2)CC3CC12)C3)c4ccc(cc4)OC,0.0
42799,CO-ADD:0292652,3.4,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc2C(=O)N4CCC(CC4)C,0.0
42800,CO-ADD:0295962,3.4,N1C(=O)C(SC1=N)CC(O)=O,0.0
42801,CO-ADD:0293919,3.4,c1(no[n+]([O-])c1S(=O)(=O)c2ccc(cc2)C)S(=O)(=O)c3ccc(cc3)C,0.0
42802,CO-ADD:0295584,3.4,S(=O)(=O)(Cc1ccccc1)c2c(ccc(c2)[N+](=O)[O-])NC(OC)=O,0.0
42803,CO-ADD:0294350,3.4,S(=O)(=O)(c1ccc(cc1C)C)N2C=Cc(c3C2c4c5c([nH]c4)cccc5)cccc3,0.0
42804,CO-ADD:0295177,3.4,N1(CC(=O)c2cccs2)c3c(N(C)C1=N)cccc3.Br,0.0
42805,CO-ADD:0292493,3.4,N1(CN2CCC(CC2)C)c(cccc3)c3\C(=N\c4ccccc4)\C1=O,0.0
42806,CO-ADD:0292436,3.4,n12c(S\C(=C\c(ccc(c3OC)OC)c3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
42807,CO-ADD:0292564,3.4,c12c(ccc3c1OC(=O)C=C3C)O\C(=N/Nc(cc4)ccc4Cl)\C2=O,0.0
42808,CO-ADD:0294318,3.4,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(ccc4[N+](=O)[O-])o4)cc(c(C)c3)C,0.0
42810,CO-ADD:0286541,3.4,N1(c2ccc(cc2)Cl)C(=O)CC(N(Cc(ccc(c34)OCO3)c4)C(=O)c5ccc(cc5)Cl)C1=O,0.0
42811,CO-ADD:0286132,3.4,s1c(N)nnc1SCc2ccc(c(cccc3)c23)F,0.0
42812,CO-ADD:0286884,3.4,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)NC(CSC(=S)N4CCCC4)=O)n1,0.0
42813,CO-ADD:0299932,3.4,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cc(C)ccc3C)C2c4cccs4,0.0
42814,CO-ADD:0299917,3.4,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(ccc(c3Cl)C)c3)C2c4ccco4,0.0
42815,CO-ADD:0286731,3.4,c12c(cccc1C(=O)N3CCCC3)C4C(C(c5ccc(cc5)Br)N2)CC=C4,0.0
42816,CO-ADD:0286459,3.4,c(C(C)(C)C)(cc(cc1C(C)(C)C)C(N2CCCCC2)c3ccccc3O)c1O,0.0
42817,CO-ADD:0286143,3.4,c1(C2=O)c(sc3c1CCC(C3)C(C)(C)C)N=C(SCc(cccc4C(F)(F)F)c4)N2c5ccccc5,0.0
42818,CO-ADD:0292741,3.4,N1(c2c(cccc2)NC(=O)CC1C)C(=O)c3ccccc3Cl,0.0
42820,CO-ADD:0292827,3.4,C(C(C)=O)(C1c2ccc(c(OC)c2)OC)=C(O)C(N1c3ccc(cc3)F)=O,0.0
42821,CO-ADD:0295738,3.4,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c(cc3)ccc3c4ccccc4,0.0
42822,CO-ADD:0296154,3.4,c1(C(OC)=O)nonc1N,0.0
42823,CO-ADD:0296162,3.4,C(c1ccccc1)(=O)Nc2cccc(Cl)c2,0.0
42824,CO-ADD:0292278,3.4,N1(c2ccccc2)C(=O)\C(\SC1=O)=C\c3cccc(c3)OCC(O)=O,0.0
42825,CO-ADD:0294034,3.4,C(/C#N)(\C#N)=C\c1cc(OCC)ccc1OCC,0.0
42826,CO-ADD:0292994,3.4,S(=O)(=O)(c1ccc(cc1)C)NC(CCC(O)=O)C(=O)N(CCC)CCC,0.0
42827,CO-ADD:0295339,3.4,C(=O)(c1ccc(cc1)F)Oc(cc2)c(OC)cc2C(OC)=O,0.0
42828,CO-ADD:0293280,3.4,N1(c2ccc(cc2)OC(F)(F)F)C(=O)C(CC1=O)S\C(\NCc(ccc(c34)OCO3)c4)=N\c(cccc5C(F)(F)F)c5,0.0
42829,CO-ADD:0292302,3.4,N1(NC(NC1=S)(CC)CC)c2scc(c3ccccc3)n2,0.0
42830,CO-ADD:0285784,3.4,c1(C(=O)Nc(cc2)ccc2OC)c(C)c(sc1NC(CCC(O)=O)=O)c3ccccc3,0.0
42831,CO-ADD:0286680,3.4,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCCC2)C(=O)N4CCCC4,0.0
42832,CO-ADD:0286704,3.4,C12(c3c(NC1=O)cccc3)SC(C(=O)N2c4ccc(c(Cl)c4)C)C,0.0
42833,CO-ADD:0288508,3.4,n(C1CCCCCCC1)(c(C)cn2)c2CCN.Cl.Cl,0.0
42834,CO-ADD:0290834,3.4,n1(c2c(nn1)cccc2)S(=O)(=O)c3c(OC)ccc(I)c3,0.0
42835,CO-ADD:0290499,3.4,c1(cc(C#N)c(cc1Oc(ccc(c2C)C)c2)C#N)[N+](=O)[O-],0.0
42836,CO-ADD:0285362,3.4,c1(c2c(sc1NC(=O)c3ccccc3F)CCCCC2)C(=O)NC(C)c4ccccc4,0.0
42837,CO-ADD:0294366,3.4,c12c(ccc(c1)NC(Cc3ccccc3)=O)c4c(cccc4)o2,0.0
42838,CO-ADD:0294748,3.4,N1(c2ccccc2)C(=O)C(Cc(cc3)ccc3OC)=C(N=C1SC)O,0.0
42839,CO-ADD:0237128,3.4,CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3)S(=O)(=O)C)n2,0.0
42840,CO-ADD:0237136,3.4,CO\C=C(\C(=O)OC)/c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2,0.0
42841,CO-ADD:0237062,3.4,NC(=O)COc1ccc(cc1)c2ccc(cc2)C#N,0.0
42842,CO-ADD:0237063,3.4,Fc1ccc2c(Cl)c(sc2c1)C(=O)NC3=NCCS3,0.0
42843,CO-ADD:0237397,3.4,Cc1ccc(NC(=O)c2cc(ccc2C)S(=O)(=O)NC(C)(C)C)nc1,0.0
42844,CO-ADD:0237098,3.4,Cc1cc2nc(NC(=O)C(C)(C)C)nc(Cl)c2n1Cc1ccc(Cl)cc1,0.0
42845,CO-ADD:0237124,3.4,Cc1onc(C)c1C(=O)N2CCCC(C2)c3[nH]c4c(C)cccc4c3c5ccncc5,0.0
42846,CO-ADD:0237351,3.39,CN(C(=O)c1cc2c(cccc2[nH]1)c3cncnc3)c4ccccc4,0.0
42847,CO-ADD:0237275,3.39,CC(N(C)c1ncc2c(N)nc(N)nc2n1)c3cc(Cl)cc(Cl)c3,0.0
42848,CO-ADD:0237379,3.39,CC1=C(C(=O)c2c(F)cc(F)cc2N1)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3,0.0
42849,CO-ADD:0237070,3.39,Cc1onc(C)c1COc2cccc(c2)C(=O)Nc3ncccc3C,0.0
42850,CO-ADD:0237219,3.39,NC(=O)c1cc(Br)ccc1OCCOc2ccccc2,0.0
42851,CO-ADD:0286272,3.39,C1(C2CCCC1C2c3ccccc3)C(=O)Oc(ccc(c45)cccc4)c5,0.0
42852,CO-ADD:0286730,3.39,C(/S\C(\N1CC)=N/c(cc2)ccc2C(C)=O)(\C1=O)=C(/Sc(c34)ccc(OC)c3)\N4C,0.0
42853,CO-ADD:0291247,3.39,C1(C(c2ccccc2)N3)=C(CN(c4ccc(cc4)OC)C1=O)N(C3=O)C,0.0
42854,CO-ADD:0291264,3.39,n1(c2c(n3)cccc2)c3S\C(=C/c4ccc(cc4F)F)\C1=O,0.0
42855,CO-ADD:0299327,3.39,c(c1c2ccccc2)(C3c(cc4OC)cc(c4OC)OC)c([nH]n1)OC(N)=C3C#N,0.0
42856,CO-ADD:0299562,3.39,C(=O)(CN1CCCCC1)N\N=C\c2ccccc2O,0.0
42857,CO-ADD:0294269,3.39,c12n(ncn1)C(C=C(C)N2)c3ccccc3,0.0
42858,CO-ADD:0294307,3.39,C(=C/c(cc1Br)cc(c1Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)Br)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
42859,CO-ADD:0294371,3.39,c1(sc2c(ccc(OCC)c2)n1)NC(=O)c3cc(c4o3)cccc4,0.0
42860,CO-ADD:0294057,3.39,N1(NC(=O)c(c2C1=O)cccc2)c(nc(N(c3ccccc3)c4ccccc4)nc5N6NC(=O)c(c7C6=O)cccc7)n5,0.0
42861,CO-ADD:0294786,3.39,C(C)(CNC1CCCCC1)([N+](=O)[O-])[N+](=O)[O-].Br,0.0
42862,CO-ADD:0294066,3.39,N(c(cccc1C(F)(F)F)c1)(C2)CN(CN2c(cccc3C(F)(F)F)c3)c(cccc4C(F)(F)F)c4,0.0
42863,CO-ADD:0293123,3.39,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(cc5OCC)cc(c5O)Cl)cccc4,0.0
42864,CO-ADD:0293607,3.39,S(=O)(=O)(c1ccc(cc1)OC)N2C(C)(C)C=C(c(cc(Cl)cc3)c23)C,0.0
42865,CO-ADD:0295062,3.39,N12C(S\C(=C\c(ccc(c3OC)OC)c3OC)\C1=O)=NC(c4ccc(c(OC)c4)O)C(C(OCC)=O)=C2C,0.0
42866,CO-ADD:0295070,3.39,N1C(c(ccc(c23)OCO2)c3)SCC1C(O)=O,0.0
42867,CO-ADD:0294704,3.39,c1(NC(=O)c2ccnn2C)sc(c(C)c1C(OC)=O)C,0.0
42868,CO-ADD:0295068,3.39,N1C(c2ccc(c(OCC)c2)O)SCC1C(O)=O,0.0
42869,CO-ADD:0295771,3.39,n1(C)cnnc1SCc(cc2)ccc2C(OC)=O,0.0
42870,CO-ADD:0294915,3.39,c(C1Cc(cc2)cc(c2OC)Oc3ccc(cc3)CC4c(c5CCN4C)cc(c(OC)c5)O6)(c(CCN1C)c(OC)c(c7OC)OC)c67,0.0
42871,CO-ADD:0295024,3.39,c(C(=O)Nc1cccc(C)c1C)(c2N)sc3c2cc(c4n3)CCC4,0.0
42872,CO-ADD:0293765,3.39,N1=C(SCC=C)NC(c2ccc(cc2)Br)=CC1c3ccccc3Cl.Br,0.0
42873,CO-ADD:0294979,3.39,c12c(c3c(CCC3)s1)c(nc(SCCc4ccccc4)n2)N,0.0
42874,CO-ADD:0299731,3.39,[N+](=O)([O-])c1c(NCCCN(CC2)CCO2)ccc(Cl)c1,0.0
42875,CO-ADD:0299596,3.39,N1(C(CC2(C)C)CC(N2)(C)C)C(C)(O)C(OC1=O)(C)CCC3=C(C)CCCC3(C)C,0.0
42876,CO-ADD:0299749,3.39,c12c(n(c(Oc3ccc(cc3OC)\C=C(/C#N)\c4[nH]c(c5n4)cccc5)n1)C)C(N(C)C(=O)N2C)=O,0.0
42877,CO-ADD:0285568,3.39,c(cc1)ccc1CN(N=NN2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
42878,CO-ADD:0285576,3.39,c1(c2ccc(cc2)NCc(ccc(c34)OCO3)c4)sc(c5n1)cccc5,0.0
42879,CO-ADD:0293758,3.39,S(=O)(=O)(Oc(cc1)ccc1[N+](=O)[O-])c(cccc2C(=O)Oc(cc3)ccc3[N+](=O)[O-])c2,0.0
42880,CO-ADD:0296071,3.39,c1(c2)c(cc(OC)c2NC(COc3ccc(cc3C4CCCCC4)Cl)=O)c5c(cccc5)o1,0.0
42881,CO-ADD:0292373,3.39,N1(CN2CCc(c3C2)cccc3)c(cccc4)c4\C(=N\c(ccc(c5Cl)F)c5)\C1=O,0.0
42882,CO-ADD:0295113,3.39,c(c1C)(c(Cl)nc(C)c1[N+](=O)[O-])C(=O)NC(=O)Nc2ccccc2C(F)(F)F,0.0
42883,CO-ADD:0295077,3.39,c12c(ccc(O)c1O)C(\C(=C/c(cc3)ccc3N(C)C)\O2)=O,0.0
42884,CO-ADD:0295463,3.39,N1(C(C)(C)NC2=S)N2C(NC1=S)(C)C,0.0
42885,CO-ADD:0294010,3.39,N1(C(C)(C)Cc2c3ccc(cccc4)c24)C3=C(C(=O)C1=O)C#N,0.0
42886,CO-ADD:0292443,3.38,c12c(C(N(C)C(=O)N1C)=O)n(c3n2)CC(=NN3CCO)c4ccccc4,0.0
42887,CO-ADD:0294751,3.38,N1(N=C(\C(=C(/C)\O)\C1=O)c2ccccc2)c3sc(c4n3)cccc4,0.0
42888,CO-ADD:0295157,3.38,c1(cc(ccc1N(CC2)CCN2C(c3ccccc3)c4ccccc4)[N+](=O)[O-])C(=O)c5ccc(cc5)Cl,0.0
42889,CO-ADD:0294417,3.38,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)Nc4cccc(O)c4)c1Cl,0.0
42890,CO-ADD:0293195,3.38,n1(c2c(n3)cccc2)c3S\C(=C\c(c(cccc4)c4n5C)c5)\C1=O,0.0
42891,CO-ADD:0296060,3.38,[N+](=O)([O-])c(cc1)ccc1C2NCCc(cc(c(OC)c3)OC)c23.Cl,0.0
42892,CO-ADD:0295829,3.38,N1(c2ccccc2)C(=O)C(CC1=O)Sc3nc(C)cc(C(F)(F)F)c3C#N,0.0
42893,CO-ADD:0293114,3.38,c1(NC(=O)c2ccco2)n(c3ccccc3)ncc1C(=O)N4CCC(CC4)Cc5ccccc5,0.0
42894,CO-ADD:0292747,3.38,C1(=C2O)C(c(c23)cccc3)=Nc4c(cccc4)SC1c(ccc(c56)OCO5)c6,0.0
42895,CO-ADD:0295492,3.38,c1(NC(=O)c(c(Cl)cc(c2S(N)(=O)=O)Cl)c2)sc(c3c1C(OCC)=O)CCCCC3,0.0
42896,CO-ADD:0292910,3.38,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc(cccc4C(F)(F)F)c4)c1Cl,0.0
42897,CO-ADD:0299783,3.38,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c3cc(OC)ccc3OC)\C1=O)=O,0.0
42898,CO-ADD:0299591,3.38,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)NCc(cc4)ccc4C(C)C)c1C)cc(OC)cc3,0.0
42899,CO-ADD:0286536,3.38,C(/S\C(\N1C2CCCCC2)=N/c(cc3)ccc3N(CC4)CCO4)(\C1=O)=C(/Sc(c56)ccc(OC)c5)\N6C,0.0
42900,CO-ADD:0286898,3.38,C12(c(cccc3)c3C(c4ccc(cc4)Br)(c5ccc(cc5)Br)S1)N(c6ccccc6)N=C(C(c7ccccc7)=O)S2,0.0
42901,CO-ADD:0291392,3.38,C12(CS(=O)(=O)NC(CC3(C)C)CC(N3C)(C)C)C(C)(C)C(CC1=O)CC2,0.0
42902,CO-ADD:0293791,3.38,c1(C(OCC)=O)c(cc(O)cc2)c2n(c3ccccc3)c1CN(CC4)CCN4c5ccccc5C,0.0
42903,CO-ADD:0293683,3.38,o(c1c2ccccc2)c(c(cc3)ccc3C(=O)Oc(cccc4c5cnc(c6n5)cccc6)c4)nn1,0.0
42904,CO-ADD:0292899,3.38,c(C(F)(F)F)(c(Cl)c(n1CC(=O)NC(C)CC)C)n1,0.0
42905,CO-ADD:0295732,3.38,C(C(OCC)=O)(C1c2ccc(cc2)SC)=CN(C=C1C(OCC)=O)c3ccc(cc3)OCC,0.0
42906,CO-ADD:0295705,3.38,c1(c2)c(cc(OC)c2NC(=O)c3ccc(cc3)OCC)c4c(cccc4)o1,0.0
42907,CO-ADD:0294916,3.38,c12c(cc(OC3OC(CO)C(C(O)C3O)O)cc1O)OC(=CC2=O)c4ccc(c(O)c4)O,0.0
42908,CO-ADD:0294978,3.38,c(c1c(s2)CCCCC1)(C3=O)c2NC(=S)N3c4ccc(cc4)OC,0.0
42909,CO-ADD:0294990,3.38,c12c(n(c(S)n1)CCCCCCCC)C(N(C)C(=O)N2C)=O,0.0
42910,CO-ADD:0295777,3.38,c1(SCC(=O)NC(C)=O)sc(c2n1)cccc2,0.0
42911,CO-ADD:0293340,3.38,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2OCC)C1c3ccc(cc3)Cl,0.0
42912,CO-ADD:0293324,3.38,c12c(c(N)ccc1[N+](=O)[O-])non2,0.0
42913,CO-ADD:0292893,3.38,n12c(cc(C(=O)Nc3cccc(O)c3)n1)nc4c(CCc(cccc5)c45)c2C(F)(F)F,0.0
42914,CO-ADD:0294490,3.38,N(C(c1ccc(cc1)OCC)c2ccc(c(OC)c2)OC)C(=O)c3ccc(cc3)F,0.0
42915,CO-ADD:0295199,3.38,c12n(c3c(cccc3)n1)CC(=NN2C(C)=O)c4ccccc4,0.0
42916,CO-ADD:0292509,3.38,c1(NC(=O)c(ccc(c2[N+](=O)[O-])C)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc(cc3)ccc3OC,0.0
42917,CO-ADD:0292898,3.38,n12c(cc(C(=O)Nc(cc(Oc3cccc(C)c3)cc4[N+](=O)[O-])c4)n1)nc5c(CCc(cccc6)c56)c2C(F)(F)F,0.0
42918,CO-ADD:0294855,3.38,C(/C(=O)c1ccc(cc1)Cl)(=N\Nc2ccccc2)\C(=O)C(=O)Nc(cc3)ccc3[N+](=O)[O-],0.0
42919,CO-ADD:0286679,3.38,c1(NC(=O)c2cccc(C)c2)n(c3ccccc3)ncc1C(=O)N(CC4)CCN4Cc5ccccc5,0.0
42920,CO-ADD:0286297,3.38,c(C(c1ccccc1)=O)(sc(c23)nc(c(C#N)c2c4ccccc4)N)c3N,0.0
42921,CO-ADD:0286425,3.38,n1(ncc2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
42922,CO-ADD:0287889,3.37,n(c(c1ccc(c(C)c1)C)c2)c3c(c2C(=O)NC4CCCCC4)cccc3Cl,0.0
42923,CO-ADD:0286294,3.37,n1(c2ccc(cc2)C)c(c3ccccc3)c(cc1c4ccccc4)\C=N\NC(=O)c5ccc(c(O)c5)I,0.0
42924,CO-ADD:0294509,3.37,C12=C(C(N(c3ccc(cc3)C)C1=O)c4ccccc4)\C(\C(=O)N2c5ccc(cc5)C)=C\c(cc6)ccc6C(C)C,0.0
42925,CO-ADD:0296174,3.37,C1(=S)NC(NN1c2ccc(cc2)Cl)(CC3)CCC3C(C)(C)C,0.0
42926,CO-ADD:0292962,3.37,N1(O)C(C)(C)CC(CC1(C)C)NC(C)=O.Cl,0.0
42927,CO-ADD:0292939,3.37,c1(c[nH]nc1\C(\C=[N+](/C)\C)=C\N(C)C)[N+](=O)[O-],0.0
42928,CO-ADD:0293579,3.37,C(/c1c(N2CC(O)=O)cccc1)(=N/N(C)S(=O)(=O)c3ccc(cc3)C)\C2=O,0.0
42929,CO-ADD:0294612,3.37,c1([nH]c(c2n1)cccc2)c3cc(ccc3Cl)NC(=O)c4cc(Cl)ccc4Cl,0.0
42930,CO-ADD:0293302,3.37,n1c(c2ccccc2)csc1Nc(cc3)ccc3N.Br,0.0
42931,CO-ADD:0294513,3.37,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(=O)Nc3ccccc3F)c4ccccc4,0.0
42932,CO-ADD:0293013,3.37,c1(sc(cc1C(OCC)=O)CC)NC(=O)c2cc(ccc2N3CCC(CC3)Cc4ccccc4)[N+](=O)[O-],0.0
42933,CO-ADD:0292648,3.37,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc(cc4)ccc4C#N)n2,0.0
42934,CO-ADD:0294933,3.37,c1(c2ccc(cc2)NC(=O)c3ccc(Br)o3)sc4c(ccc(C)c4)n1,0.0
42935,CO-ADD:0295996,3.37,C1(NC(CCSC)C(O)=O)=NC(Cc(cc(OC)c(OC)c2)c12)(C)C,0.0
42936,CO-ADD:0292483,3.37,c1(C(O)=O)cc2c(cc1Nc3ccnc4c3ccc(c4)Cl)cccc2.Cl,0.0
42937,CO-ADD:0293282,3.37,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5)ccn5)cccc4,0.0
42938,CO-ADD:0293988,3.37,N1(CC(=O)Nc2ccccn2)C(=O)c3c(C(C)=N1)cccc3,0.0
42939,CO-ADD:0295440,3.37,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc(cc(OCC(F)(F)F)cc2[N+](=O)[O-])c2,0.0
42940,CO-ADD:0293990,3.37,N1(CNc(cc2)ccc2C(C)=O)C(=O)[C@]([C@]([H])(C3)C1=O)([H])CC=C3,0.0
42941,CO-ADD:0293837,3.37,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)NC(C)=O)cccc4,0.0
42942,CO-ADD:0286350,3.37,c1(C2=O)c(c(n[nH]1)c3ccccc3)C(N2c(cccc4C(F)(F)F)c4)c5ccccc5F,0.0
42943,CO-ADD:0286423,3.37,c1(cc(cc(OC)c1C(N)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
42944,CO-ADD:0286737,3.37,C(C(OCC)=O)(=NN(C1=O)c2ccccc2)C1S(O)(=O)=O,0.0
42945,CO-ADD:0285579,3.37,C12c3c(cccc3)C(C(C)C1C(=O)Nc4cccc(C)c4)c(cccc5)c25,0.0
42946,CO-ADD:0285597,3.37,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
42947,CO-ADD:0299549,3.37,[N+](C(CBr)CS1)(C=CC(N2)=O)=C12.[Br-],0.0
42948,CO-ADD:0292791,3.37,C(/c1ccccc1)(=C/Sc2sc(c(ccc3[N+](=O)[O-])n2)c3)\[N+](=O)[O-],0.0
42949,CO-ADD:0293664,3.37,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cc(OC)ccc5OC)cccc4,0.0
42950,CO-ADD:0295166,3.37,c1(C(OC)=O)n[nH]cc1N,0.0
42951,CO-ADD:0292576,3.37,C1(c2ccc(cc2)Cl)(CC(=O)N3CCCCC3)C(=O)c(c4C1=O)cccc4,0.0
42952,CO-ADD:0293464,3.37,C(F)(F)(\C(\NNC(=O)Nc1cccc(Cl)c1)=N\c(cc2)ccc2Cl)C(F)(F)C(F)(F)F,0.0
42953,CO-ADD:0295071,3.37,C1(SCC(C(O)=O)N1)c2ccccc2OCC,0.0
42954,CO-ADD:0293184,3.37,C(/S\C(\C1=O)=C/c2cccc(c2)OCc(ccc(c3Cl)Cl)c3)(=N\C(C)=O)\N1,0.0
42955,CO-ADD:0293315,3.37,n1c(CC(O)=O)[nH]nc1N,0.0
42956,CO-ADD:0292376,3.37,N1(CN2CCc(c3C2)cccc3)c(cccc4)c4\C(=N\c5c(OC)cc(c(Cl)c5)OC)\C1=O,0.0
42957,CO-ADD:0292239,3.37,N1\C(=N\c(cc2)ccc2C)\C(\SC1=O)=C\c3ccc(cc3OC)OC,0.0
42958,CO-ADD:0293841,3.37,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(cc5)O)cccc4,0.0
42959,CO-ADD:0293870,3.37,N1(c2ccc(cc2)CBr)C(=O)CCC1=O,0.0
42960,CO-ADD:0295899,3.37,c1(OC(N)=C(C2c3ccc(c(OC)c3)O)C#N)c2c(n[nH]1)CCC,0.0
42961,CO-ADD:0294898,3.37,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(ccc(c3C(O)=O)O)c3,0.0
42962,CO-ADD:0293696,3.37,C(C(OCC)=O)(C1c(cc2)ccc2N(C)C)=C(c3ccccc3)N=C4N1C(=O)CS4,0.0
42963,CO-ADD:0295123,3.37,S1(=O)(=O)c(cccc2)c2C(N(C)CC(COc3cccc(cccc4)c34)OC(=O)CN5C=Nc(c6C5=O)cccc6)=N1,0.0
42964,CO-ADD:0295064,3.37,N1C(c(cc2I)cc(c2OCc3ccccc3)I)SCC1C(O)=O,0.0
42965,CO-ADD:0293459,3.37,c1(n(CC(=O)N1c2cccc(Cl)c2)c(c34)C(=O)N(C(=O)N3C)C)n4,0.0
42966,CO-ADD:0285575,3.37,c1(SCc2cc(Cl)ccc2Cl)sc3c(ccc(c3)\N=C\c4c(cccc4F)Cl)n1,0.0
42967,CO-ADD:0299776,3.37,N1(c2ccccc2C)C(=O)NC(\C(=C/c(cc3OC)cc(c3OC)OC)\C1=O)=O,0.0
42968,CO-ADD:0285546,3.37,C(CN1CCCCC1)(C(c2ccccc2)c3c(O4)cccc3)=C4c5ccccc5,0.0
42969,CO-ADD:0299771,3.37,N1(C(C)(C)C)C(c2ccc(c3c2)OCO3)N(N=C1C(C)=O)c4ccc(cc4)Cl,0.0
42970,CO-ADD:0299750,3.37,c12c(C(N(C)C(=O)N1C)=O)n(c(Cl)n2)Cc(cc3)ccc3[N+](=O)[O-],0.0
42971,CO-ADD:0293220,3.37,c1(N(C)C)nc(C#N)nc(OC)n1,0.0
42972,CO-ADD:0295937,3.36,C(=C\c(cc1)ccc1Br)(/NC(=O)c2ccccc2F)\C(=O)N3CCCCCC3,0.0
42973,CO-ADD:0293543,3.36,c1(cnc(CCC)n1C)C(O)(c2ccccc2)c3ccc(cc3)C,0.0
42974,CO-ADD:0292809,3.36,C1(C(OC(O2)(C)C)C2OC3C(=O)Nc4ccccc4)C3OC(C)(C)O1,0.0
42975,CO-ADD:0293594,3.36,c1(C(O)c2ccccc2)nnc(SCC(=O)Nc3cccc(C)c3C)n1c4ccccc4,0.0
42976,CO-ADD:0293569,3.36,P(=O)(N(C)C)(NNc1ccccc1)NNc2ccccc2,0.0
42977,CO-ADD:0293864,3.36,n1c(c2ccccc2)csc1Nc3ccccc3C(=O)Nc4ccccc4Cl,0.0
42978,CO-ADD:0292838,3.36,C1(C(Cl)(Cl)Cl)=CC(C(C)(C)O1)=O,0.0
42979,CO-ADD:0293113,3.36,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5cc(OCO6)c6cc5[N+](=O)[O-])cccc4,0.0
42980,CO-ADD:0294909,3.36,C12(\C=C\c3cccc(Br)c3)N(CCC(=O)N1)c4c(cccc4)C2(C)C,0.0
42981,CO-ADD:0295741,3.36,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)SC)cccc4,0.0
42982,CO-ADD:0292717,3.36,n(Cc1ccc(cc1Cl)Cl)(c2c(c3\C=N\NC(c(cc4)ccn4)=O)cccc2)c3,0.0
42983,CO-ADD:0293502,3.36,C(C(C)=O)(C1c2ccccc2)=C(O)C(N1CCCCCCCCCCCCCCCC)=O,0.0
42984,CO-ADD:0292889,3.36,n12c(cc(C(OC)=O)n1)nc3c(CCc(cccc4)c34)c2C(F)(F)F,0.0
42985,CO-ADD:0292434,3.36,n12c(S\C(=C\c(cc3)ccn3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
42986,CO-ADD:0295003,3.36,S(CC)(=O)(=O)c(ccc(c1o2)nc2SCc(cc3)ccc3[N+](=O)[O-])c1,0.0
42987,CO-ADD:0295411,3.36,c1(C2c3cc(Br)ccc3F)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
42988,CO-ADD:0293064,3.36,n1(c2ccccc2)c(C)c(c(C)n1)CNC(=O)c3cccc(Br)c3,0.0
42989,CO-ADD:0285545,3.36,C1(c2ccccc2)(N3CCCCC3)Oc(cccc4)c4C(C#Cc5ccccc5)=C1C,0.0
42990,CO-ADD:0299808,3.36,N1(c(cc2)ccc2C(O)=O)C(=O)NC(\C(=C/c3ccc(C)s3)\C1=O)=O,0.0
42991,CO-ADD:0285606,3.36,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3OCC)OCc(cc4)ccc4F)c3,0.0
42992,CO-ADD:0285038,3.36,c1(C(=O)c2ccc(cc2)Cl)c(N)c(c3s1)ccc(CC(C)C)n3,0.0
42993,CO-ADD:0285360,3.36,c1(O2)c(cc(OC(=O)c3ccc(cc3)Cl)cc1c4ccc(cc4)OC)SC2=O,0.0
42994,CO-ADD:0293753,3.36,C(C(c1ccccc1)=O)(C2c3ccc(cc3)OC)=C(O)C(N2CCNC(C)=O)=O,0.0
42995,CO-ADD:0293746,3.36,c12n(ncn1N)c(nn2)SCC(=O)Nc3cccnc3Cl,0.0
42996,CO-ADD:0296087,3.36,c(nn(c12)c(C)cc(C)n1)(S(=O)(=O)Nc3ccccc3Cl)n2,0.0
42997,CO-ADD:0296126,3.36,C1(O)(c2c(NC1=O)cccc2)CC(=O)c3ccc(cc3C)C,0.0
42998,CO-ADD:0295409,3.36,c1(C2c(cc3OC)cc(c3O)OC)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
42999,CO-ADD:0293424,3.36,C12=C(C(Nc(ccc(OCC)c3)c13)(C)C)SN(c4ccc(cc4)Br)C2=S,0.0
43000,CO-ADD:0292710,3.36,C1(c2ccccc2F)=N\C(\C(=O)O1)=C/c(ccc(c3OC)OCc(cc4)ccc4Cl)c3,0.0
43001,CO-ADD:0293061,3.36,C(C(C)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(O)C(N1CCN(CC3)CCN3)=O,0.0
43002,CO-ADD:0294351,3.36,C(C(=O)c1ccc(cc1)Cl)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2CC(O)=O)=O,0.0
43003,CO-ADD:0293600,3.36,n(Cc1ccccc1Cl)(c2c(c3\C=N\Nc4c(F)c(F)c(c(F)c4F)F)cccc2)c3,0.0
43004,CO-ADD:0294526,3.36,c1(cc(ccc1[N+](=O)[O-])N(C)C)[N+](=O)[O-],0.0
43005,CO-ADD:0295355,3.36,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c(cc3)ccc3C(OC)=O,0.0
43006,CO-ADD:0294442,3.36,C(C(=O)OC(C)CC)(C1c2ccc(cc2)CC)=C(C)NC(CC(c3ccc(cc3)OC)CC4=O)=C14,0.0
43007,CO-ADD:0292869,3.36,N(C1C(CC(CC12)CC3C2)C3)C(=O)c4ccc(Br)o4,0.0
43008,CO-ADD:0294959,3.36,n12c(c3c(cccc3)c(NCc4ccccc4)n1)nnc2C(F)(F)C(F)(F)F,0.0
43009,CO-ADD:0295324,3.36,N1(c2ccccc2C)C(=O)NC(\C(=C/c3ccc(c(cccc4)c34)OC)\C1=O)=O,0.0
43010,CO-ADD:0294346,3.36,C12(c3c(c(cccc4)c14)cccc3)C(C#N)=C(N)Oc5c2c(CC)n[nH]5,0.0
43011,CO-ADD:0296109,3.36,[N+](=O)([O-])c1ccc(cc1NCCOc2nonc2c3ccccc3)Cl,0.0
43012,CO-ADD:0291812,3.36,N1(NC(=O)c2cccc(O)c2)C(=S)S\C(=C(\c3c(N4)cccc3)/C4=O)\C1=O,0.0
43013,CO-ADD:0287220,3.35,N(CN(CC1)CCC12OCCO2)(N=C(N3c4ccccc4)c5ccccc5)C3=S,0.0
43014,CO-ADD:0286689,3.35,c1(c(O)ccc2\C=N\NC(=O)Cc3cccc(cccc4)c34)c2cccn1,0.0
43015,CO-ADD:0286298,3.35,N1(C(CCCCN2C(=O)C3C(C4CC3C(C4Br)Br)C2=O)C(OC)=O)C(=O)C5C(C(CC56)C(C6Br)Br)C1=O,0.0
43016,CO-ADD:0286598,3.35,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c4c5c([nH]c4C)cccc5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
43017,CO-ADD:0290792,3.35,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)OC)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
43018,CO-ADD:0292429,3.35,C1(C(F)(F)F)(C(F)(F)F)C(CCCC2)=C2N(C(N)=C1C#N)c3ccccc3F,0.0
43019,CO-ADD:0292960,3.35,C(=C\c(cc1)ccc1OCCCCCCC)(/C(C)=NO2)\C2=O,0.0
43020,CO-ADD:0292924,3.35,S(CCO)(CCO)=O,0.0
43021,CO-ADD:0295250,3.35,[n+]1([O-])onc(C)c1COc2ccccc2\C=C(\c(cc3)ccc3[N+](=O)[O-])/C#N,0.0
43022,CO-ADD:0293684,3.35,C1(c2ccccc2)(c3ccccc3)C(C1C(N4c(cc5)ccc5[N+](=O)[O-])=O)C4=O,0.0
43023,CO-ADD:0292233,3.35,n1(c2ccccc2)c(COc(cc3)ccc3C(C)(C)C)nnc1SCC(=O)Nc(ccc(c4s5)nc5SCC(=O)Nc(cc6)ccc6F)c4,0.0
43024,CO-ADD:0295332,3.35,c1(OC(N)=C(C2c3cccs3)C#N)c2c(n[nH]1)COC,0.0
43025,CO-ADD:0294527,3.35,[N+](=O)([O-])c1ccc(cc1N=[N+]=[N-])N(C)C,0.0
43026,CO-ADD:0296073,3.35,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cc(OCO6)c6cc5[N+](=O)[O-])cccc4,0.0
43027,CO-ADD:0295924,3.35,c1(C2c3ccc(cc3)SC)c([nH]nc1c(cc4)ccc4[N+](=O)[O-])OC(N)=C2C#N,0.0
43028,CO-ADD:0293883,3.35,C(=C/c1cc(OCO2)c2cc1[N+](=O)[O-])(/C(=O)NC(N3C)=O)\C3=O,0.0
43029,CO-ADD:0293869,3.35,C(=O)(Nc(cc1)ccc1OC)Nc(ccc(c23)OCO2)c3,0.0
43030,CO-ADD:0295136,3.35,N(c1ccc(cn1)Cl)C(COc(cc2)ccc2C3CCCCC3)=O,0.0
43031,CO-ADD:0295211,3.35,C1(C(C)C(OCC)=O)=Nc(cccc2)c2C(c3ccccc3)(c4ccccc4)N1C,0.0
43032,CO-ADD:0293769,3.35,N1(c2ccc(cc2)C)C(c3ccc(cc3)Br)c4c(OC1c5ccc(cc5)Br)ccc(cccc6)c46,0.0
43033,CO-ADD:0293558,3.35,c1(cnn(CC)c1C(=O)Nc2sc(c3c2C#N)CCCCCC3)[N+](=O)[O-],0.0
43034,CO-ADD:0294692,3.35,N1c(ccc(c2)OC(F)(F)F)c2C3C(CC=C3)C1c4ccc(cc4)F,0.0
43035,CO-ADD:0293492,3.35,S(c1ccccc1)(=O)(=O)N(c2cccc(c2)[N+](=O)[O-])CC(=O)NCc(cccn3)c3,0.0
43036,CO-ADD:0291142,3.35,n12c(S\C(=C/c(c(cccc3)c3n4Cc(cc5)ccc5Cl)c4)\C1=O)nc(cc(Br)cn6)c26,0.0
43037,CO-ADD:0292046,3.35,C(=C/c(ccc1c(cc2)ccc2[N+](=O)[O-])o1)(/C(C)=NN3c4ccc(c(C)c4)C)\C3=O,0.0
43038,CO-ADD:0291982,3.35,n1(c(cccc2C(F)(F)F)c2)nc(c3n1)ccc(NC(C)=O)c3,0.0
43039,CO-ADD:0286995,3.35,c1(Cl)nc(Cl)cc(C)c1C(NCCCC)=O,0.0
43040,CO-ADD:0286581,3.35,n(ncn1)(c1[N-]N=C2[N+](=O)[O-])C2=O,0.0
43041,CO-ADD:0285055,3.35,N1(c2cccc(c2)C(=O)OCc3ccccc3)C(=O)C(C4C1=O)C5CC4CC5,0.0
43042,CO-ADD:0294782,3.35,c1(NC(CC)=O)nonc1C(O)=O,0.0
43043,CO-ADD:0293209,3.35,N(C(O)=C1CCC[Si](C)(C)C)=C2N(C1=O)CCS2,0.0
43044,CO-ADD:0295974,3.35,c1(C2c3ccc(c4c3)OCO4)c([nH]nc1c(cc5)ccc5[N+](=O)[O-])OC(N)=C2C#N,0.0
43045,CO-ADD:0294368,3.35,c1(c2ccccc2Br)oc(c3n1)ccc(c3)NC(Cc4ccccc4)=O,0.0
43046,CO-ADD:0294063,3.35,c(c1c(Cl)cc2Sc3ccccc3)(c(c4c(C5=O)cccc4)on1)c25,0.0
43047,CO-ADD:0294875,3.35,N1(c2ccc(cc2)OCC)C(=O)\C(=C\C=C\c3ccccc3)\C(NC1=O)=O,0.0
43048,CO-ADD:0292996,3.35,C(/C(/C)=N/c1ccc(cc1OC)OC)=C(/O)\c2ccccc2,0.0
43049,CO-ADD:0295341,3.35,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc(cc2OC)cc(c2OC)OC,0.0
43050,CO-ADD:0294561,3.35,c(Nc(cc1)ccc1Br)(nc(ccc(c2)Br)c2c3c4ccccc4)n3,0.0
43051,CO-ADD:0295647,3.35,c12c(c3c(CCCC3)s1)c(nc(c(ccc(c45)OCO4)c5)n2)O,0.0
43052,CO-ADD:0295587,3.35,N(C(=O)\C(\S1)=C/c(cc2OC)cc(c2OC)OC)=C1N3CCCCCC3,0.0
43053,CO-ADD:0295216,3.35,N12C(S\C(=C/c(ccc(c3OC)OC)c3)\C1=O)=NCN(c4ccc(cc4)OCC)C2,0.0
43054,CO-ADD:0295426,3.35,c1(NC(=O)c2c(NCCCc3ccccc3)ccc(c2)[N+](=O)[O-])sc(c4c1C(OCC)=O)CCCC4,0.0
43055,CO-ADD:0294447,3.35,C(C(=O)OC1CCCC1)(C2c3ccc(cc3)OCC)=C(C)NC(CCCC4=O)=C24,0.0
43056,CO-ADD:0292468,3.35,S(N)(=O)(=O)c(cc1)ccc1n2cnnn2,0.0
43057,CO-ADD:0293384,3.35,n1(c(cc(C)cc2C)c2n3)c3S\C(=C\c4cccn4c(cc5)ccc5[N+](=O)[O-])\C1=O,0.0
43058,CO-ADD:0294732,3.35,C1(=COc(c2C1=O)cc(cc2)C)C(=O)c3cccs3,0.0
43059,CO-ADD:0285103,3.35,C1(C(=O)Nc(cc2)ccc2Cl)C3C1\C=C/CCCC3,0.0
43060,CO-ADD:0286824,3.35,N1(Nc(cc2)ccc2C)C(=O)OC(C)(C)C1(C)O,0.0
43061,CO-ADD:0288613,3.34,C(OC(C)(C)C)(N(CC1)CC1Cn2c(C)cnc2c(ccc3)cn3)=O,0.0
43062,CO-ADD:0291234,3.34,c1(cc(c2o1)cccc2)C(=O)Nc(cc3)c(C)cc3[N+](=O)[O-],0.0
43063,CO-ADD:0288462,3.34,n1(CC2CC2)c(C)cnc1C(CCCN3)C3.Cl.Cl,0.0
43064,CO-ADD:0287670,3.34,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(\SC1=O)=C/c(cc3)ccc3OCc(cc4)ccc4F,0.0
43065,CO-ADD:0294797,3.34,c1(C(O)c(cc2OC)cc(c2OC)OC)nccn1C,0.0
43066,CO-ADD:0293967,3.34,c1(nonc1N)\C(\N)=N\Nc(cc2)ccc2[N+](=O)[O-],0.0
43067,CO-ADD:0292249,3.34,c(C(O)c1ccccc1)(o2)c(c3ccccc3)c(c2c4C)cc5c4OC(C=C5C)=O,0.0
43068,CO-ADD:0294011,3.34,N1(C(C)C)CC(CC1=O)C(=O)Nc(cc2)ccc2Br,0.0
43069,CO-ADD:0295642,3.34,C(/C(C)=NN1c2ccccc2)(=C\c(cc(n3c4ccc(c(C)c4)C)C)c3C)\C1=O,0.0
43070,CO-ADD:0295146,3.34,c1(C(=O)c2ccc(cc2)Cl)coc(ccc(O)c3CN(CC4)CCO4)c13.Cl,0.0
43071,CO-ADD:0294288,3.34,c12c(c(c(C)s1)C)c(nc(SCC(=O)c(ccc(c3[N+](=O)[O-])OC)c3)n2)O,0.0
43072,CO-ADD:0295213,3.34,c1(sc2c3c(COC)cc(C)n2)c3N=NNC1=O,0.0
43073,CO-ADD:0294280,3.34,c1(SCc2nc(c3n2CC(N)=O)cccc3)nc(c4n1Cc5ccccc5)cccc4,0.0
43074,CO-ADD:0294386,3.34,c1(C(=O)Nc2ccccc2)c3c(sc1NC(Cc4ccccc4)=O)CC(C)CC3,0.0
43075,CO-ADD:0293287,3.34,C1(N(CCCCC)CCCCC)=CC(OC12CCCCC2)=O,0.0
43076,CO-ADD:0292783,3.34,n12c(S\C(=C/c3ccccc3)\C1=O)nnc2c(cc4)ccc4C(C)(C)C,0.0
43077,CO-ADD:0294717,3.34,[N+](=O)([O-])c(cc1)cc(c1C(=O)NCc2ccccc2)SCc3ccccc3,0.0
43078,CO-ADD:0294388,3.34,c1(NC(=O)CN2CCCCC2)sc(c3c1C(OCC)=O)CCCCC3,0.0
43079,CO-ADD:0294412,3.34,c(nc(c1ccc(cc1)Cl)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(c4ccccc4)Cc5ccccc5,0.0
43080,CO-ADD:0294429,3.34,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc4ccc(cc4F)F)c1Cl,0.0
43081,CO-ADD:0295233,3.34,C(C(C)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(O)C(N1Cc3ccco3)=O,0.0
43082,CO-ADD:0294777,3.34,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc(cc2)ccc2OC,0.0
43083,CO-ADD:0287255,3.34,c1(ccn(C)n1)C(=O)NC(=S)Nc2ccccc2Br,0.0
43084,CO-ADD:0290475,3.34,C(/S(CC)(=O)=O)(\S(CC)(=O)=O)=C(/Nc1cccc(OCCCC)c1)\Nc2cccc(OCCCC)c2,0.0
43085,CO-ADD:0290492,3.34,c1(S(CCC)(=O)=O)c(C(c2ccccc2)=O)n3c(c4c(cc3)cccc4)c1S(CCC)(=O)=O,0.0
43086,CO-ADD:0292132,3.34,c(C(OCC)=O)(c(C)nc1NC(=O)c2cccc(Br)c2)s1,0.0
43087,CO-ADD:0291469,3.34,N1C(=O)C(SC1=N)CC(=O)Nc(cc2)ccc2OCC,0.0
43088,CO-ADD:0292126,3.34,n1c2c(oc1c(ccc(c3NC(=O)\C=C\c4ccco4)C)c3)ccc(C)c2,0.0
43089,CO-ADD:0294518,3.34,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC4CC4,0.0
43090,CO-ADD:0295369,3.34,c1(C2c3ccc(cc3)OCCC)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
43091,CO-ADD:0296105,3.34,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCCOc2c(C)non2,0.0
43092,CO-ADD:0292659,3.34,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc4ccc(cc4F)F)n2,0.0
43093,CO-ADD:0295439,3.34,[N+](=O)([O-])c(cc(OCC(F)(F)C(F)F)cc1NC(=O)c2ccc(cc2Cl)Cl)c1,0.0
43094,CO-ADD:0293084,3.34,c1(ccc(cc1F)C(CC)=O)N2CCCC2,0.0
43095,CO-ADD:0293091,3.34,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCC2)C(=O)N4CCCC4,0.0
43096,CO-ADD:0296030,3.34,C(=O)(NN(c1ccccc1)c2ccccc2)C(O)(c3ccccc3C)c4ccccc4C,0.0
43097,CO-ADD:0292654,3.34,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)NC4CCCCC4)n2,0.0
43098,CO-ADD:0294918,3.34,C12(O)C(C)(CCC3C1CCC4(C3(C=O)CCC(OC(C)=O)C4)O)CC(C2)C(COC5=O)=C5,0.0
43099,CO-ADD:0293880,3.34,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(=O)Nc(c(OC)ccc2C(F)(F)F)c2,0.0
43100,CO-ADD:0294117,3.34,N1(CC(C2)CC3CN2Cc4cc(ccc4OCC)\C=N\NC(COc5ccc(cc5F)F)=O)C3=CC=CC1=O,0.0
43101,CO-ADD:0295202,3.34,C12(\C=C\c(cc3)ccc3F)N(CC(=O)N1Cc4ccccc4)c5c(cccc5)C2(C)C,0.0
43102,CO-ADD:0295225,3.34,C12(Nc3c(NC1=O)cccc3)C([N+](=O)[O-])=C\C(\C=C2[N+](=O)[O-])=[N+](/[O-])\[O-].[n+]4([H])ccccc4,0.0
43103,CO-ADD:0293712,3.34,c1(c2c([nH]c1C)cccc2)C(N(CC3)CCO3)c4cc(Cl)ccc4O,0.0
43104,CO-ADD:0318978,3.34,N1(CNc2ccccc2)C(=O)C(C3C1=O)CCCC3,0.0
43105,CO-ADD:0301134,3.34,[N+](=O)([O-])c(ccc(c1C#N)Oc(cc2)ccc2\C=N\N=C(/SCC3=O)\N3)c1,0.0
43106,CO-ADD:0300911,3.34,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3C(=O)c4ccc(cc4)C)[N+](=O)[O-],0.0
43107,CO-ADD:0300335,3.33,C1(SCC(=O)N1c2ccc(c(C)c2)C)(c3c(N4CN5CCC(CC5)C)cccc3)C4=O,0.0
43108,CO-ADD:0300920,3.33,P(OC)(OC)(=O)C(c1ccc(cc1)F)NCc2ccccc2,0.0
43109,CO-ADD:0304692,3.33,c1(cc(Cl)cc(Cl)c1OC)C2N(CCN2Cc3ccccc3)Cc4ccccc4,0.0
43110,CO-ADD:0305124,3.33,C(N)(NCCC)=O,0.0
43111,CO-ADD:0305132,3.33,c1(ncn2Cc3ccccc3C#N)c2C(N(C)C(=O)N1C)=O,0.0
43112,CO-ADD:0301748,3.33,n(c(ccc(c12)cccc1)c23)c(c4ccc(cc4)O)c(c35)CCCC5.Cl,0.0
43113,CO-ADD:0301742,3.33,C12(O)C(O)(c3c(cccc3)C1=O)Nc(nc(non4)c45)c(n5)N2,0.0
43114,CO-ADD:0304271,3.33,c1(c(cc2)ccc2N(Cc(cc3)ccc3Cl)C(c4ccccc4)=O)sc(c5n1)cccc5,0.0
43115,CO-ADD:0302515,3.33,C(=O)(Nc(cc1)ccc1NC(C)=O)\C=C\C(O)=O,0.0
43116,CO-ADD:0301708,3.33,N1(c2cccc(C)c2)C(=O)NC(\C(=C\c(cc3OCC)cc(c3OCCOc4ccccc4)Br)\C1=O)=O,0.0
43117,CO-ADD:0302095,3.33,c1(ccccc1NC(=O)c(ccc(c2N)OC)c2)C(O)=O,0.0
43118,CO-ADD:0303591,3.33,S(=O)(=O)(c(ccc(c1C(OC)=O)Cl)c1)N(CC2)CCN2S(=O)(=O)c(ccc(c3C(OC)=O)Cl)c3,0.0
43119,CO-ADD:0301819,3.33,C1(C(OCC)=O)=C(C)NC(NC1c2c(OC)ccc(ccc(OC)c3)c23)=S,0.0
43120,CO-ADD:0303770,3.33,c1(sc(c2n1)CCCC2)\C(\C#N)=C\c(ccc(c3OCc4ccccc4)OC)c3,0.0
43121,CO-ADD:0303010,3.33,C1(O)(C(=O)c(c2C1=O)cccc2)Nc3c(C)non3,0.0
43122,CO-ADD:0304211,3.33,C(=O)(Nc(ccc(c1C)Br)c1)C(=O)NC(CC2)CCC2C(C)(C)CC,0.0
43123,CO-ADD:0307155,3.33,n1(c(cc2)ccc2C(=O)NC3(CCCCC3)C(=O)Nc(cc4)ccc4C)cnnn1,0.0
43124,CO-ADD:0312175,3.33,c1(Nc(cc2)ccc2OC(F)(F)F)oc(c3n1)cccc3,0.0
43125,CO-ADD:0305529,3.33,[N+](=O)([O-])c1ccc(cc1)NCCNC(=O)c2ccccc2F,0.0
43126,CO-ADD:0306201,3.33,N1(C2CCCCC2)CCC(C(C)C1)=O.Cl,0.0
43127,CO-ADD:0305876,3.33,c1(NC(COc(cc2)ccc2F)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
43128,CO-ADD:0305441,3.33,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc(n4c5ccc(cc5)F)C)c4C)\C1=O)=NC6=C2CCc(c67)cccc7,0.0
43129,CO-ADD:0312606,3.33,c(cc1c(CC2C(C1C(=O)O)C(=O)N(Cc3ccccc3)C2)c4)c4,0.0
43130,CO-ADD:0312131,3.33,C(C(OC)=O)(NC(CC)=O)(C(F)(F)F)Nc1sc(c(C)c1C(OCC)=O)c2ccccc2,0.0
43131,CO-ADD:0306283,3.33,c(C(=O)NC=N1)(nc(n2CCC#N)S)c12,0.0
43132,CO-ADD:0307257,3.33,c(c1C)(c(Cl)nc(C)c1[N+](=O)[O-])C(=O)NC(=O)NCc(cc2)ccc2Cl,0.0
43133,CO-ADD:0311296,3.33,S(=O)(=O)(N1CCC(CC1)Cc2ccccc2)c3c(Br)ccc(Br)c3,0.0
43134,CO-ADD:0311285,3.33,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(O)CN(CC(C)C)CC(C)C,0.0
43135,CO-ADD:0320141,3.33,C12=C(CC(C)(C)CC1=O)Nc(ccc3c4cccn3)c4C2c5ccccc5Cl,0.0
43136,CO-ADD:0320205,3.33,S1(=O)(=O)c(cc(Oc2ccccc2)cc3Oc4ccccc4)c3C(N)=C1c5ccccc5,0.0
43137,CO-ADD:0320290,3.33,c1(C2OCCO2)noc(cc(cc3Sc4ccccc4)[N+](=O)[O-])c13,0.0
43138,CO-ADD:0323687,3.33,C1(=O)C(C(N)=O)=C(C)C=C(C)N1c2ccccc2Cl,0.0
43139,CO-ADD:0323703,3.33,N1(CCCc(cccc2)c12)CCC(O)=O.Cl,0.0
43140,CO-ADD:0320418,3.33,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)NCc5ccccc5)c2,0.0
43141,CO-ADD:0321404,3.33,S1(=O)(=O)c2c(C(N)=C1c3ccccc3)ccc(c2)N=[N+]=[N-],0.0
43142,CO-ADD:0320924,3.33,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCOc(cc3)ccc3c4ccccc4)c1C,0.0
43143,CO-ADD:0323152,3.33,c1(C(O)c2ccccc2)sc3c(c(COC)cc(C)n3)c1NC(c4ccccc4)=O,0.0
43144,CO-ADD:0323283,3.33,C(=O)(Nc1scc(c2ccc(cc2)C)n1)C(C(F)(F)F)C(F)(F)F,0.0
43145,CO-ADD:0323484,3.33,c1(C(F)(F)F)nnc(SCC(=O)Nc(ccc(c2Cl)Cl)c2)n1N,0.0
43146,CO-ADD:0324757,3.33,C(=O)(c1ccccc1F)N(CCc(c2c([nH]3)ccc(OC)c2)c3C)C4(CCCC4)C(=O)Nc5ccccc5C,0.0
43147,CO-ADD:0323541,3.33,c12c(cccc1Sc3sc(c4n3)cccc4)C(=O)c(c5C2=O)cccc5,0.0
43148,CO-ADD:0324638,3.33,C1(CC(OC12CCCCC2)=O)C(=O)N(CCC)CCC,0.0
43149,CO-ADD:0324065,3.33,C(=O)(C1CCC(CC1)C)NC(Cc2ccccc2)C(=O)OCC(=O)c3ccc(cc3)CC,0.0
43150,CO-ADD:0320656,3.32,n1(CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc4c(C)cccc4C)nnnc1N,0.0
43151,CO-ADD:0323026,3.32,C1(=C(CC(c2ccco2)CC1=O)Nc(c3N4C(C)=O)cccc3)C4c5cccs5,0.0
43152,CO-ADD:0323058,3.32,N1(CCCC1=O)CP(=O)([O-])CC(CC(OC)=O)C(OC)=O.[Na+],0.0
43154,CO-ADD:0320857,3.32,C(=N/c(cc1)ccc1Br)(/SC(C(=O)Nc2ccccc2F)CC3=O)\N3C,0.0
43155,CO-ADD:0320782,3.32,c(C(OC)=O)(c(cc(O)c(c12)cccc1)c2n3Cc(cc4)ccc4C(C)(C)C)c3C,0.0
43156,CO-ADD:0319556,3.32,N1(C(=O)\C(\SC1=N)=C/c(ccc2c3cc(Cl)ccc3[N+](=O)[O-])o2)c4nonc4N,0.0
43157,CO-ADD:0319181,3.32,c1(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
43158,CO-ADD:0319446,3.32,C(=O)(Nc(cc1)ccc1Oc2ccccc2)c3ccco3,0.0
43159,CO-ADD:0319510,3.32,c1(C2c(cc3)ccc3C(F)(F)F)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
43160,CO-ADD:0321177,3.32,C12=C(C=C(C)OC1=O)O\C(=C(\C(OC)=O)/C(F)(F)F)\S2,0.0
43161,CO-ADD:0318784,3.32,N(c1ccc(cn1)Br)C(COc(cc2)ccc2I)=O,0.0
43162,CO-ADD:0305192,3.32,N1(c(cc2)ccc2[N+](=O)[O-])C(CSc3n(C)c4c(cccc4)n3)=Nc(c5C1=O)cccc5,0.0
43163,CO-ADD:0305372,3.32,N1(c(cc2)ccc2C(=O)Nc3ccccc3)C(=O)C4C(C(CC45)C=C5)C1=O,0.0
43164,CO-ADD:0304836,3.32,C(=C(C)NC(=C1C#N)SCC(=O)Nc(ccc(c2Cl)C)c2)(C(=O)Nc3ccccc3OC)C1c4ccco4,0.0
43165,CO-ADD:0305327,3.32,C(=O)(N(CC1)CCO1)CC(c2ccccc2)C(c3ccccc3)=O,0.0
43166,CO-ADD:0301700,3.32,c1(SCc2n(C)c3c(cccc3)n2)n(C)c4c(cccc4)n1,0.0
43167,CO-ADD:0301685,3.32,N1(c(cc2)ccc2C(O)=O)C(=O)c(c3C1=O)ccc(c3)C45CC(CC6C4)CC(C6)C5,0.0
43168,CO-ADD:0301687,3.32,C1(C(N)=O)=C(C)NC(NC1c2ccccc2Cl)=O,0.0
43169,CO-ADD:0302677,3.32,c(no[n+]1[O-])(c2c([nH]c(C)n2)c3c4no[n+]3[O-])c14,0.0
43170,CO-ADD:0302106,3.32,C(=O)(Nc(cc1)ccc1C(O)=O)c2ccccc2NC(Cc3ccccc3)=O,0.0
43171,CO-ADD:0302449,3.32,C(=O)(Nc(ccc(c1C)Br)c1)C(=O)NCC(C)O,0.0
43172,CO-ADD:0301590,3.32,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cccc(OC)c5)cccc4,0.0
43173,CO-ADD:0302975,3.32,C1([N+](=O)[O-])=C(NCCSC(C)(C)C)c2c(cccc2)OC1=O,0.0
43174,CO-ADD:0302139,3.32,N1(C(=O)c(c2C1=O)ccc(C(=O)c(cc3)ccc3C(O)=O)c2)c4nnc(SCC)s4,0.0
43175,CO-ADD:0302161,3.32,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(ccc(c5[N+](=O)[O-])Cl)c5)cccc4,0.0
43176,CO-ADD:0304099,3.32,C(C(C)=O)(C1c2cccc(F)c2)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
43177,CO-ADD:0301369,3.32,c12c(cccc1)cccc2NCCN.Cl.Cl,0.0
43178,CO-ADD:0307593,3.32,c1(N(CC2)CCO2)nc(Cn3nnc(c4ccc(cc4)F)n3)nc(N)n1,0.0
43179,CO-ADD:0307580,3.32,c(Nc1c(OC)ccc(OC)c1)(nc(Cl)nc2Nc3c(OC)ccc(OC)c3)n2,0.0
43180,CO-ADD:0305690,3.32,C(=C(C)NC(=C1C#N)SCC(=O)Nc(ccc(c23)cccc2)c3)(C(=O)Nc4ccccc4C)C1c5ccco5,0.0
43181,CO-ADD:0307052,3.32,c1(cc(F)c(cc1Cl)F)C(=O)c2ccc(c(C)c2)C,0.0
43182,CO-ADD:0306975,3.32,C(=O)(C(O)(c1ccccc1)c2ccccc2)NN(C(C)c3ccccc3)C(c4ccccc4)=O,0.0
43183,CO-ADD:0306174,3.32,c1(noc(c(cc2)cc(c2[N+](=O)[O-])C)n1)c3nonc3N,0.0
43184,CO-ADD:0306167,3.32,c12n(c(cc(C)n1)C)ncc2C(OC)=O,0.0
43185,CO-ADD:0305893,3.32,c1(NC(=O)c2ccoc2C)sc(c(C)c1C(OC)=O)C,0.0
43186,CO-ADD:0311238,3.32,N1(c(cc2)ccc2C(O)=O)C(=O)C(C(C1=O)C(CCC3C4(C)CCCC3(C)C(O)=O)(C=C5C(C)C)C4C6)C56,0.0
43187,CO-ADD:0311036,3.32,C1(CCC(NC1c(cc2)ccc2C(F)(F)F)=O)[N+](=O)[O-],0.0
43188,CO-ADD:0310987,3.32,c12c(n(c(N(CC3)CCO3)n1)CCN)C(N(C)C(=O)N2C)=O.Cl,0.0
43189,CO-ADD:0320259,3.32,c1(C#N)c(C)c(Cl)c(nc1SCC(OCC)=O)C,0.0
43190,CO-ADD:0320753,3.32,S1(=O)(=O)c2c(c3N1Cc4cc(C)ccc4OC)c(ccc2)ccc3,0.0
43191,CO-ADD:0324173,3.32,n1(CC=C)c(SCC(=O)Nc(ccc(c2F)C)c2)nnc1c(cccn3)c3,0.0
43192,CO-ADD:0320770,3.32,[nH]1c2c(c(CCNC(COc3ccc(cc3F)F)=O)c1C)cccc2CC,0.0
43193,CO-ADD:0320786,3.32,N1(c2ccccc2F)CC(CC1=O)C(=O)Nc3ccccc3Cl,0.0
43194,CO-ADD:0320922,3.32,c1(C(N(C)C)c(cc2)ccc2[N+](=O)[O-])nnnn1CC(OCC)=O,0.0
43195,CO-ADD:0323007,3.32,N1(c2cccc(Cl)c2)C(=O)C(N(CCc(ccc(c3OCC)OCC)c3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
43196,CO-ADD:0323775,3.32,n1(C)c(C)c(c(cc(C)c(N\C=C(\C(OCC)=O)/C(OCC)=O)c2)c12)C,0.0
43197,CO-ADD:0323839,3.31,N(C)(C1=O)C(N)=C(C(=O)N1C)C(=O)CNC2CCCCC2.Cl,0.0
43198,CO-ADD:0319777,3.31,N1(CCc(cccc2)c12)C(=O)COc(cc3C)cc(c3Cl)C,0.0
43199,CO-ADD:0319729,3.31,N1=C(C=CNC1=O)NC(c2ccccc2)=O,0.0
43200,CO-ADD:0320814,3.31,C1(NC(CSc2nnc(c3ccco3)n2c4ccccc4)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
43201,CO-ADD:0323809,3.31,C1(C(NCCc(c2c([nH]3)cccc2)c3C)=O)=Cc4c(OC1=O)ccc(OC)c4,0.0
43202,CO-ADD:0323825,3.31,n(c(NCCOC(C1)(C2)CC(CC2C3)CC13)nc(n4)NCCCC)c4OCC(F)(F)F,0.0
43203,CO-ADD:0323082,3.31,N1(CCOC(CC(CC2C3)CC34)(C4)C2)C(C)(O)C(OC1=O)(CC5(C)C)CC(N5)(C)C,0.0
43204,CO-ADD:0324250,3.31,N1(Cc(cc2)ccc2OC)\C(=N\c3ccccc3)\SC(C(=O)Nc(cc4)ccc4OC(F)(Cl)F)CC1=O,0.0
43205,CO-ADD:0323003,3.31,N1(c2ccc(cc2)OC)C(=O)C(Cc(ccc(c3OC)O)c3)C(NC1=O)=O,0.0
43206,CO-ADD:0319105,3.31,C12(CC3CC(CC(C3)C1)C2)N(C)C(=O)Nc(cccc4NC(=O)N(C)C56CC(CC(C7)C5)CC7C6)c4,0.0
43207,CO-ADD:0319376,3.31,N1C(c(cc2OC)cc(c2OCc3ccccc3Cl)Br)SCC1C(O)=O,0.0
43208,CO-ADD:0319337,3.31,n1(c2ccccc2)c(SC(C(C)=O)C(C)=O)nnc1c3ccccc3Cl,0.0
43209,CO-ADD:0305104,3.31,c1(nn(cn1)C)[N+](=O)[O-],0.0
43210,CO-ADD:0305006,3.31,[nH]1c2c(nc1SCC(NCCc3ccccc3)=O)cccn2,0.0
43211,CO-ADD:0304894,3.31,[N+](=O)([O-])c1ccc(c(NN)c1)C.Cl,0.0
43212,CO-ADD:0304919,3.31,C(=O)(Nc(c1)cc2c(cccc2)n1)c3ccco3,0.0
43213,CO-ADD:0304703,3.31,c1([N+](=O)[O-])nn(c(N)n1)c2ccccc2,0.0
43214,CO-ADD:0305201,3.31,c1(NC(=O)c(cccc2S(=O)(=O)N(CC3)CCO3)c2)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
43215,CO-ADD:0300592,3.31,c1(NC(COc2ccc(cc2Cl)Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccc(cc3C)C,0.0
43217,CO-ADD:0304006,3.31,C(C(OCC)=O)(=CN(c1ccc(cc1)F)C=C2C(OCC)=O)C2c3ccccc3OC,0.0
43218,CO-ADD:0302489,3.31,c1(\C=N\NC(c2ccccc2)=O)cc(Br)ccc1O,0.0
43219,CO-ADD:0303059,3.31,c1(sc(n2)c3ccc(cc3)OC)c2sc(c4ccc(cc4)OC)n1,0.0
43220,CO-ADD:0304101,3.31,C(C(=O)c1ccc(cc1)C)(C2c(cc3)ccc3N(C)C)=C(O)C(N2Cc(cccn4)c4)=O,0.0
43221,CO-ADD:0304057,3.31,C(C(c1ccccc1)=O)(C2c(cc3)ccc3N(C)C)=C(O)C(N2c4ccc(c(Cl)c4)C)=O,0.0
43222,CO-ADD:0303982,3.31,N1(c2ccccc2)C(CC)(CC)Nc(c3C1=O)cccc3,0.0
43223,CO-ADD:0302941,3.31,C(C(C)=O)(N(C)NC(N1c2ccc(cc2)Cl)c3ccc(cc3)Cl)=N1,0.0
43224,CO-ADD:0304349,3.31,n12c(ccc(cccc3)c13)nnc2c4ccc(c(OC)c4)OCc5ccccc5,0.0
43225,CO-ADD:0302555,3.31,c1(c(C)non1)\C(\CNCCCCCCN=[N+]=[N-])=N/O.Br,0.0
43226,CO-ADD:0302092,3.31,o(c(c1ccc(cc1)C)nn2)c2c3ccc(cc3)F,0.0
43227,CO-ADD:0306943,3.31,N1(\N=C\c2cccc(OC)c2O)C(=O)c(ccc(c3)[N+](=O)[O-])c3NC1c4cccc(OC)c4O,0.0
43228,CO-ADD:0307053,3.31,c1(cc(F)c(cc1Cl)F)C(c2ccccc2)=O,0.0
43229,CO-ADD:0307413,3.31,N1(\N=C\c(ccc(c2OCC)O)c2)C(c3ccc(c(OCC)c3)O)Nc4c(ccc(c4)[N+](=O)[O-])C1=O,0.0
43230,CO-ADD:0311594,3.31,C(=N/c1ccccc1)(/SC(C(=O)Nc(cc2)ccc2OC)CC3=O)\N3CCNc4c(Cl)c(Cl)c(c(Cl)c4Cl)Cl,0.0
43231,CO-ADD:0311621,3.31,C(=N/c(cc1)ccc1OC(Cl)(F)F)(/SC(C(=O)Nc(cc2)ccc2OCCC)CC3=O)\N3CCc4ccccc4,0.0
43232,CO-ADD:0311644,3.31,C(/c1c(N2Cc(cccc3[N+](=O)[O-])c3)cccc1)(=C(/C#N)\c4[nH]c(c5n4)cccc5)\C2=O,0.0
43233,CO-ADD:0307605,3.31,C(=O)(c1ccc(c(F)c1)F)N2CCCCCC2,0.0
43234,CO-ADD:0312098,3.31,n(C(c1ccc(cc1)Cl)CC(N2)c3ccc(cc3)Br)(nnn4)c24,0.0
43235,CO-ADD:0312075,3.31,n1(c2ccccc2)c(c3cccc(F)c3)nnc1SC(C)C(=O)Nc4c(C)cc(cc4C)C,0.0
43236,CO-ADD:0311224,3.31,C1(CCC2C3(C)CCCC2(C)C(O)=O)(C=C(C(C)C)C(C(C1C4=O)C(N4CCO)=O)C5)C35,0.0
43237,CO-ADD:0307312,3.31,C12=C(CC(c3ccc(cc3)F)CC1=O)Nc(c4NC2c5cccc(OC)c5)cccc4,0.0
43238,CO-ADD:0305765,3.31,c1(NC(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)sc(c3c1C(OC)=O)CCCC3,0.0
43239,CO-ADD:0320763,3.31,C1(C(F)(F)F)(C(F)(F)F)N=C(C=CC=C2)N2C(c3ccc(cc3)F)=N1,0.0
43240,CO-ADD:0320771,3.31,[nH](c(ccc(c1)OCc2ccccc2)c1c3CCNC(=O)c(cc4)ccc4C(OC)=O)c3C,0.0
43241,CO-ADD:0321340,3.31,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCCOCCOc(cc4)ccc4C)c3)\C2=N,0.0
43242,CO-ADD:0321285,3.3,N1(C(C)(C)C=C(c(cc(cc2)OC(=O)c3ccc(cc3)F)c12)C)C(=O)c4ccccc4OC,0.0
43243,CO-ADD:0319276,3.3,c1(SCC(=O)Nc(cc2)ccc2C(C)C)sc3c(ccc(OCC)c3)n1,0.0
43244,CO-ADD:0324821,3.3,C(=O)(Nc(cc1)ccc1C(OCC)=O)C(CC2)(CCO2)c3ccc(c(OC)c3)OC,0.0
43245,CO-ADD:0323390,3.3,c(c1cc(OC)ccc1OC)(oc(c23)cc(cc2[N+](=O)[O-])[N+](=O)[O-])c3,0.0
43246,CO-ADD:0324066,3.3,c1(cc(ccc1N(CC2)CCN2C)C(c3ccccc3)=O)[N+](=O)[O-],0.0
43247,CO-ADD:0324826,3.3,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCCOc4ccccc4)c3)\C2=N,0.0
43248,CO-ADD:0324610,3.3,c1(cc(cc(OCO2)c2c3)c3nc1N)C(=O)Nc4ccccc4,0.0
43249,CO-ADD:0323795,3.3,c1(C(OC)=O)oc(c2c1NC(=O)c(cc3)ccc3C(F)(F)F)ccc(OC)c2,0.0
43250,CO-ADD:0324196,3.3,C1(CCC(NC1c2cccc(OC)c2)=O)[N+](=O)[O-],0.0
43251,CO-ADD:0324203,3.3,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c(ccs3)c3,0.0
43252,CO-ADD:0324299,3.3,c12c(n(c(SCC(=O)Nc(cc3)ccc3OC(F)(Cl)F)n1)CCCC)C(N(C)C(=O)N2C)=O,0.0
43253,CO-ADD:0324180,3.3,n1(nc(n2)NC(CC)=O)c2nc(c3ccccc3)cc1O,0.0
43254,CO-ADD:0324220,3.3,C1(C(OCCC)=O)=C(C)NC(NC1c2ccc(c(Br)c2)F)=O,0.0
43255,CO-ADD:0318769,3.3,N1(CCOc2cc(C)ccc2C(C)C)C(=O)c(c(c3)C1=O)cc(c3C(N4CCOc5cc(C)ccc5C(C)C)=O)C4=O,0.0
43256,CO-ADD:0319978,3.3,N12C(S\C(=C/c(ccc3c4cccc(Cl)c4)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
43257,CO-ADD:0319393,3.3,C1(=O)c2c(CN1CCNC(=O)c3ccc(cc3)Oc(cc4)ccc4C(NCCN5Cc(c6C5=O)cccc6)=O)cccc2,0.0
43258,CO-ADD:0319987,3.3,S(NCCC1CCCC1)(=O)(=O)c2cccc3c2cccc3S(NCCC4CCCC4)(=O)=O,0.0
43259,CO-ADD:0319053,3.3,c12c(ccc(C(ON3)=O)c13)C(=O)c(c4C2=O)cccc4,0.0
43260,CO-ADD:0319069,3.3,C1(=O)N(CCCCCCNCCO)C(C)=CC(=O)N1C,0.0
43261,CO-ADD:0323146,3.3,C(Nc(cccc1)c1C2(c3ccccc3)c4ccccc4)(c5cccn5c(cc6)ccc6[N+](=O)[O-])O2,0.0
43262,CO-ADD:0323370,3.3,S(=O)(=O)(NC(C)(C)CO)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4OC(Cl)(F)F)c1,0.0
43263,CO-ADD:0323490,3.3,c(C(OCC)=O)(c(C)nc1NC(=O)Nc(ccc(c2Cl)Cl)c2)s1,0.0
43264,CO-ADD:0323546,3.3,C1(NC(CSc2n(C)c3c(cccc3)n2)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
43265,CO-ADD:0300562,3.3,S(=O)(=O)(N(CC1)CCO1)c2c(OC)cc(c(c2)NS(=O)(=O)c(cccc3C(=O)Nc4ccccc4)c3)OC,0.0
43266,CO-ADD:0300818,3.3,C(=O)(Nc1cccc(Cl)c1)N(CCC#N)c2ccccc2,0.0
43267,CO-ADD:0305157,3.3,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2ccccc2Cl,0.0
43268,CO-ADD:0300803,3.3,c1(NC(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OC,0.0
43269,CO-ADD:0305059,3.3,C1(C(=O)Nc(cc2)ccc2c3csc(C)n3)=Cc4c(OC1=O)ccc(Br)c4,0.0
43270,CO-ADD:0300511,3.3,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc(cc4)ccc4NC(=O)c5cc(ccc5Cl)SC,0.0
43271,CO-ADD:0300535,3.3,C1(CCC(NC1c2ccc(cc2)SC)=O)[N+](=O)[O-],0.0
43272,CO-ADD:0300719,3.3,C1(Br)=C(N2CCCC2)C=NN(c3ccccc3)C1=O,0.0
43273,CO-ADD:0304794,3.3,c1(cc(ccc1N(CC2)CCN2c3ccccc3)C=O)[N+](=O)[O-],0.0
43274,CO-ADD:0301552,3.3,[N+](=O)([O-])c1ccc(cc1)COc2cc(C)c(cc2C(C)C)CCl,0.0
43275,CO-ADD:0301543,3.3,n1c(c2ccccc2)cn(cccc3N)c13.Br,0.0
43276,CO-ADD:0301395,3.3,C1(OC(=O)C(C)(C)C)=C(C)C(OC(c2ccccc2)C1(C)C)=O,0.0
43277,CO-ADD:0301525,3.3,c(n1)(c2)c(ccc2C(O)=O)n[se]1,0.0
43278,CO-ADD:0301829,3.3,N1(N)C(N)=CC(=NC1=S)N,0.0
43279,CO-ADD:0302052,3.3,C1(=NC(=O)NC2=O)C2=Cc3c(cccc3Cl)N1c4ccc(cc4C)C,0.0
43280,CO-ADD:0306821,3.3,C(C(OCCOC(C)C)=O)(C1c2ccc(cc2)F)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
43281,CO-ADD:0310946,3.3,C1(=C(CC(c(cccc2[N+](=O)[O-])c2)CC1=O)Nc(c3N4C(CC)=O)cccc3)C4c5ccc(c(OC)c5)OC,0.0
43282,CO-ADD:0307514,3.3,c1(Oc(cc2)ccc2C(c3ccccc3)(c4ccccc4)c5ccccc5)cc(C#N)c(cc1Oc(cc6)ccc6C(c7ccccc7)(c8ccccc8)c9ccccc9)C#N,0.0
43283,CO-ADD:0312385,3.3,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(C)o5,0.0
43284,CO-ADD:0312377,3.3,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(C)s4,0.0
43285,CO-ADD:0312362,3.3,c1(C2c(cccn3)c3)c([nH]nc1c4ccc(cc4)F)OC(N)=C2C#N,0.0
43286,CO-ADD:0311657,3.3,C(=CC(\C=C\c(cc1)ccc1OCc(cc2)ccc2F)=NC3=O)(C(F)(F)F)N3,0.0
43287,CO-ADD:0311281,3.3,S(c1ccccc1)(=O)(=O)N(CC(O)CN(CC(C)C)CC(C)C)c2c(OC)ccc(c2)[N+](=O)[O-],0.0
43288,CO-ADD:0307581,3.3,C(/C#N)(=C/c1ccco1)\C(=O)Nc(cc2)c(Cl)cc2[N+](=O)[O-],0.0
43289,CO-ADD:0312247,3.3,C1(CCC(NC1c(cc2)ccc2c3ccccc3)=O)[N+](=O)[O-],0.0
43290,CO-ADD:0312255,3.3,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3cc(OC)c(cc3OC)OC,0.0
43291,CO-ADD:0312074,3.3,n1(c2ccccc2)c(SCc3ccccc3Cl)nnc1c4cccc(F)c4,0.0
43292,CO-ADD:0320520,3.3,c1(SCC(=O)Nc(cc2)ccc2OC(F)(F)Cl)[nH]c(c3n1)ccc(OCC)c3,0.0
43293,CO-ADD:0321564,3.3,n1c(CSc2nc(N)cc(N)n2)onc1c3ccccc3,0.0
43294,CO-ADD:0324906,3.3,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc(cc(OC)cc4[N+](=O)[O-])c4)n2,0.0
43295,CO-ADD:0324059,3.3,C12(CC3CC(CC(C3)C1)C2)C(=O)NC(CCSC)C(=O)OCC(=O)c4ccc(cc4)Cl,0.0
43296,CO-ADD:0324371,3.29,N12C(S\C(=C/c(ccc3c(cc4)ccc4[N+](=O)[O-])o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
43297,CO-ADD:0324427,3.29,CN1C(c2ccco2)=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C1=S,0.0
43298,CO-ADD:0324836,3.29,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCCSc(cc4)ccc4C)c3)\C2=N,0.0
43299,CO-ADD:0320435,3.29,S(=O)(=O)(c1ccc(cc1)NC(OC)=O)N2CCC(CC2)C(OCC)=O,0.0
43300,CO-ADD:0318698,3.29,C12(c3c(N(CC)C1=O)cccc3)C(C#N)=C(N)OC(C=C(C)OC4=O)=C24,0.0
43301,CO-ADD:0318714,3.29,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccccc4)c5ccc(cc5)OC,0.0
43302,CO-ADD:0319093,3.29,[N+](=O)([O-])c(cc(cc1C(NCCOc(ccc(c2C)C)c2)=O)C(NCCOc(ccc(c3C)C)c3)=O)c1,0.0
43303,CO-ADD:0323172,3.29,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(=O)OC(C)C,0.0
43304,CO-ADD:0323494,3.29,n12c(CCCCC1)nnc2SCC(=O)Nc(cc3)ccc3F,0.0
43305,CO-ADD:0304539,3.29,c(c(C)nc(c1C#N)SCC(N)=O)(C(=O)Nc2ccccc2C)c1c3ccc(cc3)F,0.0
43306,CO-ADD:0304587,3.29,c1(ccc(c(OC)c1OC)OC)C2N(CCCN2Cc3ccccc3)Cc4ccccc4,0.0
43307,CO-ADD:0300621,3.29,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cccc(C)c5)cccc4,0.0
43308,CO-ADD:0304632,3.29,c1(NCc(cc2)ccc2C)nnnn1CCC,0.0
43309,CO-ADD:0305160,3.29,C1(C(OCCOCCC)=O)=C(C)NC(NC1c2ccccc2C)=O,0.0
43310,CO-ADD:0300529,3.29,S(NCCCCC(NCCSc1ccccc1)=O)(c2ccccc2)(=O)=O,0.0
43311,CO-ADD:0301050,3.29,C1(O)(Cc2ccccc2)c3c(C(=O)N1CCCCCCC)cccc3,0.0
43312,CO-ADD:0300994,3.29,o1c(SCc(c(C)ccc2C(O)=O)c2)nnc1c3cccc(OC)c3,0.0
43313,CO-ADD:0301018,3.29,c1(OCC)cc(ccc1OCc2ccccc2C)C=O,0.0
43314,CO-ADD:0304548,3.29,c1(c2c(ccc(OC)c2)ncc1C(OCC)=O)Nc3ccccc3C(O)=O,0.0
43315,CO-ADD:0305003,3.29,N1[C@@H](c2ccccc2Br)[C@@]([H])(CC=C3)[C@@]3(c4c1c(OC)ccc4Cl)[H],0.0
43316,CO-ADD:0304687,3.29,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)NCc(cc4OC)cc(c4OC)OC)c1C)cc(OC)cc3,0.0
43317,CO-ADD:0301530,3.29,c12c(c(ccc1NC(OC)=O)C)nsn2,0.0
43318,CO-ADD:0302391,3.29,C1(C#N)=C(SCC(=O)Nc2cccc(F)c2)NC(=O)CC1c3ccccc3OCC,0.0
43319,CO-ADD:0303180,3.29,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(=O)CC1c3c(cccc3F)Cl,0.0
43320,CO-ADD:0302425,3.29,c1(ccccc1NC(OCC)=O)C(OC)=O,0.0
43321,CO-ADD:0301491,3.29,N1(c2ccc(cc2)OCCCCC)C(=O)C(CC1=O)Sc3c(cc(c4n3)CCCCCC4)C#N,0.0
43322,CO-ADD:0302647,3.29,C(O)(c1ccccc1)(C(C)C2)CC(N2C)C,0.0
43323,CO-ADD:0310796,3.29,n1(\N=C\c2ccc(cc2OC)OC)c(S)nnc1c3ccccc3Cl,0.0
43324,CO-ADD:0310789,3.29,C1(=NC(Cc(cc(OC)c(OC)c2)c12)(C)C)C3=NC(Cc(cc(OC)c(OC)c4)c34)(C)C,0.0
43325,CO-ADD:0311982,3.29,C(=S)(N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NC(C)c3ccccc3)NC(=O)c4cccs4,0.0
43326,CO-ADD:0312454,3.29,c1(N2CCCCC2)nc(NCc3ccccc3)nc(Nc(cc4)ccc4OC(F)(F)F)n1,0.0
43327,CO-ADD:0311892,3.29,N1(c2ccccc2C(F)(F)F)C(CCC)=Nc3c(cc(cc3Cl)Cl)C1=O,0.0
43328,CO-ADD:0306079,3.29,s1c(C)nnc1SCC(=O)c2ccc(cc2)C,0.0
43329,CO-ADD:0311764,3.29,C(O)(c1cccc(C)c1)(c2cccc(C)c2)C(=O)NNC(CC)c3cccc(C)c3,0.0
43330,CO-ADD:0311556,3.29,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCOC)c4ccccc4,0.0
43331,CO-ADD:0305995,3.29,[N+](=O)([O-])c1c(ccc(c1)C(=O)Nc(c(ccc2C(F)(F)F)OCC(F)(F)F)c2)OCC(F)(F)C(F)F,0.0
43332,CO-ADD:0312287,3.29,n1(c2ccccc2)c(SCC(=O)NC(C)(C)CC(C)(C)C)nnc1c3ccco3,0.0
43333,CO-ADD:0311447,3.29,c12n(C(\C(=N\O)\C(C)=N1)c3ccccc3)nc(SC)n2,0.0
43334,CO-ADD:0311687,3.29,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3F)n2)Cc(cc4)ccc4C,0.0
43335,CO-ADD:0311670,3.29,n12c(S\C(=C/c(cc3OC)cc(c3OCC#C)Cl)\C1=O)nc(cc(C)c(C)c4)c24,0.0
43336,CO-ADD:0311702,3.29,C12=C(CCCC1=O)Oc3c(ccc(OC)c3)C2C4=C(CCCC4=O)O,0.0
43337,CO-ADD:0311407,3.29,c1(ccccc1NC(=O)c2ccc(cc2)OC)C(=O)NCC(C)C,0.0
43338,CO-ADD:0320536,3.29,c12c(CCNC1c(cc3)ccc3C(OC)=O)cc(c(OCC)c2)OCC,0.0
43339,CO-ADD:0319811,3.29,c1(ccc(Br)o1)C(=O)Nc(cc2)ccc2Br,0.0
43340,CO-ADD:0320328,3.29,S1C(=S)C=C(N=C1N)CCC,0.0
43341,CO-ADD:0320553,3.28,c12c(ccc(Cl)c1Cl)c(c(C)[nH]2)CCN,0.0
43342,CO-ADD:0323584,3.28,C(NCCOc1ccccc1)(=O)c(cccc2C(NCCOc3ccccc3)=O)c2,0.0
43343,CO-ADD:0323736,3.28,c1(C(OCC)=O)c(cc(cc2)OC(=O)c3ccc(c(OC)c3)OC)c2n(C)c1C,0.0
43344,CO-ADD:0323648,3.28,C(NCCOc(cc1)ccc1Cl)(=O)c(cccc2C(NCCOc(cc3)ccc3Cl)=O)c2,0.0
43345,CO-ADD:0323343,3.28,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(OCCCCCC)c4)c5ccc(cc5)Br,0.0
43346,CO-ADD:0323207,3.28,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCN(CC3)CCN3C(=S)Nc(cc4)ccc4F,0.0
43347,CO-ADD:0323689,3.28,c1(C#N)c(C)cc(nc1NN)COC,0.0
43348,CO-ADD:0321023,3.28,N(C=CS1)(C1=NC(=C2[N+](=O)[O-])C)C2=O,0.0
43349,CO-ADD:0323524,3.28,c1(NC(COc(ccc(c23)OCO2)c3)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
43350,CO-ADD:0323268,3.28,c1(c(C)[nH]n2)c2OC(=O)C(CC(OCC)=O)=C1C,0.0
43351,CO-ADD:0324852,3.28,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(cc3)cc(c3OC(=O)c4ccc(cc4)F)OC)\C1=N,0.0
43352,CO-ADD:0324873,3.28,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c3cccc(OCCOc(ccc(c4C)C)c4)c3)\C1=N,0.0
43353,CO-ADD:0323519,3.28,C(=O)(c1ccc(cc1)COc2ccccc2Br)Nc3cccc(C)n3,0.0
43354,CO-ADD:0324863,3.28,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OC)OCCOc4ccccc4OC)c3)\C1=N,0.0
43355,CO-ADD:0324073,3.28,c1(N(CC2)CCN2c3ccc(cc3)OC)nc(Cl)nc(Nc(cc4)ccc4OCC)n1,0.0
43356,CO-ADD:0324593,3.28,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c(C)c1C(OC)=O)C,0.0
43357,CO-ADD:0319898,3.28,c1(C2c3cc(OC)c(cc3OC)OC)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
43358,CO-ADD:0320330,3.28,C12(N(C)N=CN1C(=O)c3ccc(cc3)OC)SC(=NN2c4ccccc4)C(C)=O,0.0
43359,CO-ADD:0321028,3.28,c1(C2c3ccccc3F)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
43360,CO-ADD:0323545,3.28,c1(SCC(=O)Nc(cc2)ccc2C(OCCCC)=O)oc(c3n1)cccc3,0.0
43361,CO-ADD:0323210,3.28,N1(C(=O)CSc2nc(c3ccccc3)cc(c4ccc(cc4)OC)c2C#N)c5c(cccc5)Sc(ccc(Cl)c6)c16,0.0
43362,CO-ADD:0324442,3.28,S(NCCOC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4cc(C)ccc4OC,0.0
43363,CO-ADD:0324778,3.28,c1(CC(NCCc2ccccc2)=O)c(SC)c(c3n1C)cc(cc3)C,0.0
43364,CO-ADD:0301056,3.28,C(CC1)(CCN1C(=O)c2ccc(o2)C#Cc3ccccc3)(C(N)=O)N4CCCCC4,0.0
43365,CO-ADD:0301112,3.28,n1c2c(sc1c3ccc(cc3)NCc4c(ccc(cccc5)c45)OCc6ccc(cc6Cl)Cl)ccc(C)c2,0.0
43366,CO-ADD:0301067,3.28,c1(cc(ccc1N2CCCCC2)C(=O)c3ccc(cc3)OC)[N+](=O)[O-],0.0
43367,CO-ADD:0305233,3.28,C(C#N)(C(=O)NC(=C1CSc2ncccn2)C)=C1C,0.0
43368,CO-ADD:0300731,3.28,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCN2C(=O)c3cccc(Br)c3,0.0
43369,CO-ADD:0300703,3.28,n1(Cc2ccccc2)nnnc1SCC(=O)NCC(c3ccccc3)=O,0.0
43370,CO-ADD:0300499,3.28,c1(N=NC(=O)C(CC)(CC)O)c2c(n(C)c1O)cccc2,0.0
43371,CO-ADD:0304356,3.28,c1(cc2c(cc1C(CC)=O)OCCO2)[N+](=O)[O-],0.0
43372,CO-ADD:0304190,3.28,C(=O)(Nc(cc1)ccc1C(C)(C)C)C(=O)NCc2ccccc2OC,0.0
43373,CO-ADD:0303563,3.28,C1(C#N)=C(SCC(=O)Nc2ccccc2C)NC(=O)CC1c3ccccc3C,0.0
43374,CO-ADD:0304279,3.28,c1(c(O)ccc(N)c1)P(c2ccccc2)(c3ccccc3)=O.Cl,0.0
43375,CO-ADD:0302516,3.28,N(/c(cc1)ccc1NC(C)=O)=C\c(cc2)ccc2N(C)C,0.0
43376,CO-ADD:0304358,3.28,n12c(ccc(SC3=NCCS3)n1)nnc2C(F)(F)F,0.0
43377,CO-ADD:0311595,3.28,N1(c2cccc(OCC)c2)C(=O)C(CC1=O)NNC(=O)c3cccc(F)c3,0.0
43378,CO-ADD:0311610,3.28,C(=N/c(cc1)ccc1OC(F)(Cl)F)(/SC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC3=O)\N3CC,0.0
43379,CO-ADD:0310739,3.28,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c3ccccc3F,0.0
43380,CO-ADD:0310805,3.28,c1(C2c3ccc(cc3)OCc4ccccc4F)c([nH]nc1c(cc5OC)cc(c5OC)OC)OC(N)=C2C#N,0.0
43381,CO-ADD:0305414,3.28,N1(C(=O)CSC12CCC(CC2)C)c(cccc3C(F)(F)F)c3,0.0
43382,CO-ADD:0306695,3.28,c(C(OC)=O)(c1N)sc2c1cc3c(CCC(C)C3)n2,0.0
43383,CO-ADD:0311506,3.28,C1(C(OCCOCC)=O)=C(C)NC(=O)CC1c(cccc2[N+](=O)[O-])c2,0.0
43384,CO-ADD:0311889,3.28,c1(c2ccccc2Cl)n[nH]c(O)c1,0.0
43385,CO-ADD:0312561,3.28,C1=C[C@@]2([C@]([C@@](CN(C2)C(C)=O)(C(C(OC)=O)=C3C(OC)=O)O[C@@H]34)([C@]45[H])[H])O[C@H]15,0.0
43386,CO-ADD:0312489,3.28,C1(C(C2C(=O)N3c4ccccc4)C(I)C(C2)O1)(C3)Cl,0.0
43387,CO-ADD:0306714,3.28,n(c(ccc(c12)cccc1)c23)c(c4cccc(O)c4)c5c3CC(CC5)C.Cl,0.0
43388,CO-ADD:0305519,3.28,S(=O)(=O)(Cc1ccccc1)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc(ccc(c4OC)OC)c4,0.0
43389,CO-ADD:0307000,3.28,c1(c2c(sc1NC(=O)CCn3c4c(nn3)cccc4)CCCC2)C(=O)OC(C)C,0.0
43390,CO-ADD:0312257,3.28,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(c(OC)c5)OC,0.0
43391,CO-ADD:0306144,3.28,C(C(=O)C(C)(C)C)(C1c(cc2)ccc2[N+](=O)[O-])=C(O)C(N1c3ccc(cc3)C)=O,0.0
43392,CO-ADD:0306808,3.27,C1(C(OCCC)=O)=C(C)NC(=C2C1c3cc(Br)ccc3OC)CCCC2=O,0.0
43393,CO-ADD:0312547,3.27,c1cc(S(N2C[C@](O[C@@]3(CN4C(=O)c(cccc5)c5C4O)C6)(C=C3)[C@@H]6C2)(=O)=O)ccc1C,0.0
43394,CO-ADD:0305967,3.27,n1c(c(cc2)ccc2c3ccccc3)csc1Cc4csc(c5ccc(cc5)Br)n4,0.0
43395,CO-ADD:0320377,3.27,[nH](c(ccc(c1)OC)c1c2CCNC(=O)c(cc3)ccc3C(OC)=O)c2C,0.0
43396,CO-ADD:0320401,3.27,C1(c2ccccc2)(CC1)NC(NCCCN(CC3)CCO3)=O,0.0
43397,CO-ADD:0320196,3.27,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2S(N)(=O)=O)nnc1c3ccco3,0.0
43398,CO-ADD:0319845,3.27,[N+](=O)([O-])c1c(Cl)ccc(c1)C(NCCc(c2c([nH]3)cccc2)c3C)=O,0.0
43399,CO-ADD:0320718,3.27,c1(NC(=O)c2ccccc2F)n(c3ccccc3)ncc1C(=O)Nc(cccc4C(F)(F)F)c4,0.0
43400,CO-ADD:0321383,3.27,C(F)(F)(Cl)Oc(cc1)ccc1NC(NCC)=S,0.0
43401,CO-ADD:0321415,3.27,c1(c(OC)cc(c2c1)cccc2)C(=O)N(CC3)CCN3C45CC(CC6C4)CC(C6)C5,0.0
43402,CO-ADD:0320783,3.27,c12c(cc(nc1NC(C)=O)CCC)c3c(OC2=O)cccc3,0.0
43403,CO-ADD:0320962,3.27,c1(nc(OCC(F)(F)F)nc(N(CC2)CCN2C34CC(CC(C5)C3)CC5C4)n1)n6c(C)cc(C)n6,0.0
43404,CO-ADD:0323650,3.27,C(CSCC(=O)Nc(cc1)ccc1CC)(=O)Nc2ccccc2,0.0
43405,CO-ADD:0324483,3.27,n1c(c2ccccc2O)csc1\C(\C#N)=C\c3ccco3,0.0
43406,CO-ADD:0319566,3.27,n1(c2ccc(cc2)OC)nnnc1SCC(NCCc3ccccc3)=O,0.0
43407,CO-ADD:0319183,3.27,c1(NC(=O)c(ccc(c2Cl)Cl)c2)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
43408,CO-ADD:0319152,3.27,c1(NC(CSc2[nH]nc(N)n2)=O)nonc1N,0.0
43409,CO-ADD:0319923,3.27,c12c(CCNC1c3ccccc3O)cc(c(OCC)c2)OCC,0.0
43410,CO-ADD:0320211,3.27,c12c(CCNC1c3ccc(c4c3)cccc4)cc(c(OCC)c2)OCC,0.0
43411,CO-ADD:0319462,3.27,c1(NC(=O)c2cc(Cl)ccc2OC)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
43412,CO-ADD:0237307,3.27,C[C@@H](N1CCCC[C@H]1c2ccc(OCc3cccc(F)c3)cc2)C(=O)N,0.0
43413,CO-ADD:0237158,3.27,[O-][N+](=O)c1nccn1CC(=O)NCc2ccccc2,0.0
43414,CO-ADD:0237166,3.27,C1CCN(CC1)c2cc(nc3ccccc23)c4ccccn4,0.0
43415,CO-ADD:0237077,3.27,NC(=N)c1ccc(cc1)c2cc(on2)c3ccccc3,0.0
43416,CO-ADD:0237280,3.27,COc1cc(ccc1O)c2cc(cnc2N)c3ccc(cc3)S(=O)(=O)C,0.0
43417,CO-ADD:0237364,3.27,Nc1ccc(cc1)C(=O)Nc2ccc(cc2)c3oc4ccccc4n3,0.0
43418,CO-ADD:0300288,3.27,N1(c2cccc(OC)c2)C(=O)\C(=C\c(ccc(c3OC)OC)c3OC)\C(NC1=S)=O,0.0
43419,CO-ADD:0300449,3.27,N1(c2ccc(cc2)Cl)C(=O)C(N(CCc(ccc(c3OC)OC)c3)C1=S)CC(NC)=O,0.0
43420,CO-ADD:0300457,3.27,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2[N+](=O)[O-])c1)Nc3c(C)cc(cc3C)C,0.0
43421,CO-ADD:0300766,3.27,o1c(SCc2c(C)cc(c(C(C)=O)c2C)C)nnc1c3ccc(cc3)Cl,0.0
43422,CO-ADD:0300638,3.27,C(C(OCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(OC)c3)OCC,0.0
43423,CO-ADD:0305137,3.27,c1(SCC(=O)Nc(ccc(c2C)C)c2)nccn1C,0.0
43424,CO-ADD:0305153,3.27,C1(C(=O)OCc2ccccc2)=C(C)NC(=C3C1c(ccc(c4[N+](=O)[O-])Cl)c4)CCCC3=O,0.0
43425,CO-ADD:0304327,3.27,[C@@H]1(Oc(cc2)ccc2\C=N\NC(COc(cc3)ccc3OC)=O)O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O,0.0
43426,CO-ADD:0303500,3.27,c1(nnnn1c2ccccc2C)C3(CCCCC3)N(C)O,0.0
43427,CO-ADD:0302494,3.27,N1(c2c(Cl)cc(cc2Cl)Cl)C(=O)\C(\C(NC(=O)c(cccc3N4C(=O)c(c5C4=O)ccc(C(O)=O)c5)c3)=N1)=C\c(cc6)ccc6N(CC)CC,0.0
43428,CO-ADD:0304344,3.27,c1(c(ccc(c1)[N+](=O)[O-])Oc2ccc(cc2OC)\C=N\Nc3ccc(c4n3)cccc4)[N+](=O)[O-],0.0
43429,CO-ADD:0302684,3.27,c1(c2c(sc1NC(CCC(O)=O)=O)CCCCC2)C(=O)Nc3ccccc3OCC,0.0
43430,CO-ADD:0302673,3.27,S(=O)(=O)(c(ccc(c1C(=O)Nc(cc2)ccc2OC(=O)c3cccs3)Cl)c1)N(CC4)CCO4,0.0
43431,CO-ADD:0301648,3.27,c1(NC(COc2ccc(cc2Cl)Cl)=O)sc(c3c1C(OCC)=O)CCC3,0.0
43432,CO-ADD:0301664,3.27,S(=O)(=O)(NCc(ccc(c12)OCO1)c2)c3c(Cl)ccc(c3)[N+](=O)[O-],0.0
43433,CO-ADD:0301637,3.26,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(ccc4c5c(cccc6)c6n4CC)c5,0.0
43434,CO-ADD:0301437,3.26,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3ccccc3OCC,0.0
43435,CO-ADD:0301425,3.26,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c(ccc(c34)OCO3)c4,0.0
43436,CO-ADD:0306741,3.26,N(CCCl)(S(C)(=O)=O)S(C)(=O)=O,0.0
43437,CO-ADD:0305547,3.26,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(C)=O,0.0
43438,CO-ADD:0310749,3.26,C(C(OC)=O)(=CN(C(C)c1ccccc1)C=C2C(OC)=O)C2c3cccc(Cl)c3Cl,0.0
43439,CO-ADD:0305767,3.26,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
43440,CO-ADD:0311197,3.26,N1(C(=O)c2c(cccc2)C1=O)c3sc(cn3)Cc4cccc(Cl)c4Cl,0.0
43441,CO-ADD:0311094,3.26,C1(C2c3ccc(cc3)Cl)=C(CC(C)(C)CC1=O)Nc4n2ncn4,0.0
43442,CO-ADD:0306203,3.26,[nH](c(ccc(c1)Cl)c1c2CCN)c2C.Cl,0.0
43443,CO-ADD:0312496,3.26,C1(C[C@](C2(OC(=O)C)CC1)(C(=O)N(c3ccccc3)C2)C)OC(C)=O,0.0
43444,CO-ADD:0305491,3.26,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c(cc(C)c(c4C)O)c4,0.0
43445,CO-ADD:0311266,3.26,c1(ccc(o1)\C=C(\NC(=O)c2cccc(Br)c2)/C(=O)Nc(cc3)ccc3C)[N+](=O)[O-],0.0
43446,CO-ADD:0311257,3.26,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OC)OCCOc4cccc(OC)c4)c3)\C1=N,0.0
43447,CO-ADD:0305495,3.26,c1(c(C)oc(C(C)(C)C)c1)C(=O)N2CCCC2C(O)=O,0.0
43448,CO-ADD:0306817,3.26,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(OCC)c3)OC(C)=O,0.0
43449,CO-ADD:0310821,3.26,c12c(n(c(N\N=C/c(cc3)ccn3)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
43450,CO-ADD:0307465,3.26,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
43451,CO-ADD:0312357,3.26,c12c(CCNC1c3cc(OC)ccc3O)cc(c(OCC)c2)OCC,0.0
43452,CO-ADD:0312130,3.26,C(Nc(cc1)ccc1OC(F)(F)F)(C(OCC)=O)(C(F)(F)F)NC(OCC)=O,0.0
43453,CO-ADD:0307450,3.26,c(C#N)(c(C)cc(n1)OC)c1OC,0.0
43454,CO-ADD:0320525,3.26,[nH]1c(cccc2)c2c(CCNC(=O)c(cc3)ccc3C(F)(F)F)c1C,0.0
43455,CO-ADD:0320354,3.26,C1(CCCCC1)(C(=O)OC(C2(C)C)c3ccccc3F)C2=O,0.0
43456,CO-ADD:0320402,3.26,C1(c2ccccc2)(CC1)NC(=O)NCc(cccn3)c3,0.0
43457,CO-ADD:0319851,3.26,C(=C(C)NC(=C1C#N)SCC(=O)Nc2ccccc2)(C(=O)Nc3ccccc3OC)C1c4ccc(C)s4,0.0
43458,CO-ADD:0319902,3.26,C1(=S)N(N)C=NN1CC(=O)Nc2nnc(C)s2,0.0
43459,CO-ADD:0323085,3.26,P(c1ccccc1)(c2ccccc2)(c3ccccc3)=Nc4cc(cc(sn5)c4c5OC)[N+](=O)[O-],0.0
43460,CO-ADD:0324333,3.26,c1(c2ccccc2C)nnn(CC(=O)N\N=C\c3c[nH]nc3c4ccc(cc4)F)n1,0.0
43461,CO-ADD:0324174,3.26,n1(CC=C)c(SCC(=O)Nc(ccc(c2F)C)c2)nnc1c3cccs3,0.0
43462,CO-ADD:0324533,3.26,c12c(ccc(cccc3)c13)nc(c4c2c5ccc(cc5)OCCC)CCCC4,0.0
43463,CO-ADD:0319834,3.26,C1(NC(=O)\C(\C#N)=C\c(ccc2c3ccccc3[N+](=O)[O-])o2)=C(C)N(N(c4ccccc4)C1=O)C,0.0
43464,CO-ADD:0319668,3.26,C1(=C(CC(c2ccc(cc2)C)CC1=O)Nc(c3N4C(CCCCC)=O)cccc3)C4c5ccco5,0.0
43465,CO-ADD:0324717,3.26,C(F)(F)(C(F)F)Oc(cccc1C(=O)NC(=O)Nc(c(C)cc(n2)C)c2C)c1,0.0
43466,CO-ADD:0324823,3.26,C(=O)(c1ccco1)Nc2ccc(cc2Cl)NC(=O)c3cccs3,0.0
43467,CO-ADD:0319441,3.26,C(=O)(Nc(cc1)ccc1NC(C)=O)c2cc(OC)cc(OC)c2,0.0
43468,CO-ADD:0319481,3.26,[N+](=O)([O-])c1c(ccc(C(C)=O)c1)SCC(=O)Nc(ccc(c23)cccc2)c3,0.0
43469,CO-ADD:0319497,3.26,C(=O)(c1ccc(cc1)CSC2CCCCC2)Nc3ccc(c(OC)c3)OC,0.0
43470,CO-ADD:0324789,3.26,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc4ccccc4)[N+](=O)[O-])c13)cccc2,0.0
43471,CO-ADD:0324646,3.26,C(=C\c(ccc(c1OC)OC)c1)(/C(=O)NC(N2)=O)\C2=O,0.0
43472,CO-ADD:0319306,3.26,C(C(CC[N+]1(C2)CC(=O)c3ccc(cc3)Br)C2)(C1)C(O)(c4ccccc4)c5ccccc5,0.0
43473,CO-ADD:0321251,3.26,c1(C(NCCC)=O)c(Cl)c(Cl)c(nc1Cl)Cl,0.0
43474,CO-ADD:0321229,3.26,c(C(OCC)=O)(c1Cl)nc(c(Cl)c1Nc2cccc(F)c2)Cl,0.0
43475,CO-ADD:0324365,3.26,c1(c(OC)cc(c2c1)cccc2)C(=O)NC(C)Cc3ccccc3,0.0
43476,CO-ADD:0300418,3.26,N1(C)C(=O)CC(N(CC2)CCN2Cc(cc3)ccc3Cl)C1=O,0.0
43477,CO-ADD:0305187,3.25,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(cc4OCC)cc(c4O)Br,0.0
43478,CO-ADD:0300615,3.25,C1(C(=O)OC(C)C)=C(C)NC(=C2C1c3ccc(c(OC)c3OC)OC)CCCC2=O,0.0
43479,CO-ADD:0300815,3.25,[C@@]12(C)C(CC(CC1)OC(CCCCCC)=O)=CCC(C2CC3)C([C@]34C)CCC4=O,0.0
43480,CO-ADD:0305049,3.25,c1(Nc(cc2)ccc2OC(Cl)(F)F)c3c(cccc3)c(nn1)C.Cl,0.0
43481,CO-ADD:0300377,3.25,n1(c(C(C)=O)c(nn1)C)c2nonc2N,0.0
43482,CO-ADD:0301696,3.25,N1=C(SCc2[nH]c(c3n2)cccc3)N(c(cccc4)c4C1=O)C,0.0
43483,CO-ADD:0303806,3.25,c1(cc(ccc1N(CC2)CCN2C(=O)c3ccccc3Cl)C(F)(F)F)[N+](=O)[O-],0.0
43484,CO-ADD:0302693,3.25,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4ccc5c(ccc(C)c5)n4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
43485,CO-ADD:0304280,3.25,c1(C2c(cc3)ccn3)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
43486,CO-ADD:0301675,3.25,C1(c2ccccc2[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(cc3)ccc3OC,0.0
43487,CO-ADD:0303299,3.25,n1(c2cccc(cccc3)c23)nnnc1SCc4c(cccc4[N+](=O)[O-])Cl,0.0
43488,CO-ADD:0303043,3.25,C(/SCC1=O)(=N/C(C)=O)\N1,0.0
43489,CO-ADD:0302782,3.25,C(=C/c(ccc1c2cccc(Cl)c2C)o1)(/C(C)=NN3c4cccc(Cl)c4)\C3=O,0.0
43490,CO-ADD:0304324,3.25,c1(\C(\c2ccccc2)=C\c(cc3)ccc3N(C)C)[nH]c(c4n1)cccc4,0.0
43491,CO-ADD:0302993,3.25,[N+](=O)([O-])c(cc(C#N)c(c12)C=Cc3c(ccc(c34)cccc4)O1)c2,0.0
43492,CO-ADD:0303560,3.25,c1(C#N)c(C)cc(nc1SC)c2ccccc2,0.0
43493,CO-ADD:0304203,3.25,N1(c2ccc(cc2)CCCC)CC(CC1=O)C(=O)Nc3sccn3,0.0
43494,CO-ADD:0311901,3.25,c12c(c3c(cccc3)OC1=O)nc(c4ccc(cc4)OCCCC)nc2NC(CC)=O,0.0
43495,CO-ADD:0311629,3.25,c1(NC(COc2ccc(cc2F)F)=O)sc(c3c1C(OC)=O)CCCC3,0.0
43496,CO-ADD:0311171,3.25,c1(NC(=O)c2ccc(cc2)C)sc(c(C)c1C(OC)=O)C,0.0
43497,CO-ADD:0305726,3.25,C(C(OC)=O)(=CN(C(C)c1ccccc1)C=C2C(OC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
43498,CO-ADD:0305711,3.25,c1(SCC(=O)Nc2ccccc2)sc(c3n1)ccc(Cl)c3,0.0
43499,CO-ADD:0306939,3.25,c1(C2c(cc(OCC)c(c3[N+](=O)[O-])O)c3)c([nH]nc1c4ccc(cc4)OC)OC(N)=C2C#N,0.0
43500,CO-ADD:0306944,3.25,c1(Cl)c(ccc(Cl)c1)OCC(=O)Nc2cccc(C)c2,0.0
43501,CO-ADD:0305436,3.25,C(=C/c(cc1)ccc1OCc2ccccc2F)(/C3=O)\C(=O)OC4(CCCCC4)O3,0.0
43502,CO-ADD:0307575,3.25,C1(NC(=O)\C(\C#N)=C\c2ccc(C)o2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
43503,CO-ADD:0312215,3.25,N1(\N=C(/C)\CCc(ccc(c23)OCO2)c3)C(=O)CC(SC1=N)C(=O)Nc(cc4)ccc4C(O)=O,0.0
43504,CO-ADD:0311290,3.25,N(\C(=C/c(cc1)ccc1OC)\C(O2)=O)=C2c3cccc(Cl)c3,0.0
43505,CO-ADD:0310838,3.25,N1(C(NCCCC)=O)c2c(OC1=O)ccc(Cl)c2,0.0
43506,CO-ADD:0312368,3.25,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c(cccc5[N+](=O)[O-])c5,0.0
43507,CO-ADD:0312628,3.25,C(C1C(C2C(=O)O)C(=O)N(C3CC3)C1)c(c24)occ4,0.0
43508,CO-ADD:0307226,3.25,n12c(S\C(=C/c(cn(n3)C(C)=O)c3c4ccc(cc4)F)\C1=O)nc(cc(C)c(C)c5)c25,0.0
43509,CO-ADD:0311350,3.25,S(c1ccccc1)(=O)(=O)NC(CC2(C)C)CC(N2)(C)C,0.0
43510,CO-ADD:0311001,3.24,C12(OC(C)=O)C(CC(C)O1)=C(c(ccc(OCC=C)c3)c3O2)C,0.0
43511,CO-ADD:0306097,3.24,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(OCC)=O)F,0.0
43512,CO-ADD:0319871,3.24,c(c1c(cc2)ccn2)(C3c4ccc(c(OC)c4)OCC(N)=O)c([nH]n1)OC(N)=C3C#N,0.0
43513,CO-ADD:0319887,3.24,c1(N(C)C)nc(Nc(cc2)ccc2OC(F)(F)F)nc(NC(C)(C)C)n1,0.0
43514,CO-ADD:0319903,3.24,C1(=S)N(N)C=NN1CC(=O)Nc2sccn2,0.0
43515,CO-ADD:0320383,3.24,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c(cc4)ccc4C(OC)=O,0.0
43516,CO-ADD:0323854,3.24,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5c(OC)ccc(OC)c5,0.0
43517,CO-ADD:0323119,3.24,C(NCCC(C1)(CC(CC12)CC3C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccc(cc4)Cl,0.0
43518,CO-ADD:0324791,3.24,n1c(N(CCCC)CCCC)nc(nc1N(CC2)CCO2)Nc(cc3)ccc3OC(Cl)(F)F,0.0
43519,CO-ADD:0323568,3.24,c1(cc(C)c(cc1N2CCCC2)NC(=S)NC(=O)c(ccc(c3Cl)OC)c3)[N+](=O)[O-],0.0
43520,CO-ADD:0324704,3.24,C(C(c1ccccc1)=O)(C2c(cc3)ccc3C(C)(C)C)=C(O)C(N2c4ccc(cc4)OCC(O)=O)=O,0.0
43521,CO-ADD:0319796,3.24,c1(c2c(sc1NC(=O)c3cccc(Br)c3)CCCC2)C(=O)OC(C)C,0.0
43522,CO-ADD:0320888,3.24,c(NC(c1cccs1)CC2C(F)(F)F)(c3Cl)n2nc3C(=O)Nc4sc(c(C)c4C(OCC)=O)C(OCC)=O,0.0
43523,CO-ADD:0320745,3.24,N1(c2ccc(c(Cl)c2)C)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccccc4C,0.0
43524,CO-ADD:0323279,3.24,C(=CC(\C=C\c1c(O)ccc(cccc2)c12)=NC3=O)(C(F)(F)F)N3,0.0
43525,CO-ADD:0324288,3.24,n1(c2ccc(c3c2)OCO3)nnnc1SCC(=O)N4c5c(cccc5)Sc(ccc(Cl)c6)c46,0.0
43526,CO-ADD:0324373,3.24,c1(NC(CSc2nnnn2c3ccc(cc3)OC)=O)sc(c(CCN4Cc5ccccc5)c1C(OCC)=O)C4,0.0
43527,CO-ADD:0324549,3.24,C(F)(F)(F)c(cc1)ccc1C(=O)NCc(cc2)ccc2C(O)=O,0.0
43528,CO-ADD:0320417,3.24,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5F)c2,0.0
43529,CO-ADD:0320513,3.24,C(=N\c(ccc(c12)OCO1)c2)(/SC(C(=O)Nc(cc3)ccc3C(OC)=O)CC4=O)\N4CC,0.0
43530,CO-ADD:0305170,3.24,C(C(OC)=O)(=CN(CC)C=C1C(OC)=O)C1c2ccccc2Cl,0.0
43531,CO-ADD:0305178,3.24,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2ccc(c(OC)c2OC)OC,0.0
43532,CO-ADD:0305042,3.24,N1(\N=C\c2ccccc2O)C(=O)c(ccc(c3)[N+](=O)[O-])c3NC1c4ccccc4O,0.0
43533,CO-ADD:0304484,3.24,C1(=O)Nc2c(Oc(cc(cc3Oc(cc4)ccc4C)[N+](=O)[O-])c13)cccc2,0.0
43534,CO-ADD:0301044,3.24,C(CNc1nonc1N=[N+]([O-])c2nonc2NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.0
43535,CO-ADD:0305204,3.24,S(O)(=O)(=O)c1ccc(cc1C(O)=O)OC,0.0
43536,CO-ADD:0304033,3.24,N1(Cc2ccco2)C(=O)c3c(NC1c4ccccc4O)cccc3,0.0
43537,CO-ADD:0301714,3.24,C(=C/c(ccc(c1OC)OCCBr)c1)(/C(=O)NC(N2)=O)\C2=O,0.0
43538,CO-ADD:0301266,3.24,N1(C(=O)\C(\SC1=N)=C\c2ccc(cc2Cl)Cl)c3nonc3N,0.0
43539,CO-ADD:0301737,3.24,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C/c3cc(Cl)ccc3OCCOc(cc4)ccc4C)\C1=O)=O,0.0
43540,CO-ADD:0303580,3.24,S(=O)(=O)(N1CCCCC1)c(ccc(c2C(=O)Nc3ccccc3)OC)c2,0.0
43541,CO-ADD:0301276,3.24,[nH]1c(SCCOc(cc2)ccc2C)nc3c1ncnc3N,0.0
43542,CO-ADD:0302505,3.24,N1(C2CCCCC2)C(=O)\C(\SC1=S)=C/c(cc3)ccn3,0.0
43543,CO-ADD:0303075,3.24,C(/c1c(N2CC=C)cccc1)(=C(/C#N)\c3[nH]c(c4n3)cccc4)\C2=O,0.0
43544,CO-ADD:0302951,3.24,N1(CCC(O)=O)C(=O)\C(\SC1=S)=C/c2sccc2C,0.0
43545,CO-ADD:0301759,3.24,n1(c2c(nc1)cccc2)S(=O)(=O)c3ccc(cc3)Cl,0.0
43546,CO-ADD:0303638,3.24,C1(=S)NC(NN1c2ccc(cc2)Cl)(CCC)CC,0.0
43547,CO-ADD:0301365,3.24,C(=C/c(cc1)ccc1OCc(cc2)ccc2F)(/C(=O)NN3c4ccccc4)\C3=O,0.0
43548,CO-ADD:0305539,3.24,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3c(cc4)c5c(c4[N+](=O)[O-])cccn5,0.0
43549,CO-ADD:0307059,3.24,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(=O)c3ccc(cc3)F)F,0.0
43550,CO-ADD:0306956,3.24,C1(=O)Nc2c(Oc(cc(cc3OCCOC)[N+](=O)[O-])c13)cccc2,0.0
43551,CO-ADD:0307599,3.24,c12c(n(cn1)C)C(=S)NC(=O)N2Cc3ccccc3,0.0
43552,CO-ADD:0312232,3.24,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c5c4)OCO5,0.0
43553,CO-ADD:0311716,3.24,C(=O)(OC(C)(C)C)Nc(cc1)ccc1SCC(O)=O,0.0
43554,CO-ADD:0312340,3.24,c1(SCC(OC)=O)cc(ccc1C#N)SCC(OC)=O,0.0
43555,CO-ADD:0311536,3.24,c1(Cc2nnc(CCCCC3)n23)nnc(CCCCC4)n14,0.0
43556,CO-ADD:0310941,3.24,c1(N(CC2)CCO2)nc(CSc3nc(c4ccccc4)cc(C(F)(F)F)c3C#N)nc(N)n1,0.0
43557,CO-ADD:0311362,3.23,N1=C(SCCN(C)C)NC(C(C(C)C)=C1O)=O.Cl,0.0
43558,CO-ADD:0311152,3.23,c1(c(c2ccccc2)c(n3)C)n3c(c(CC(OCC)=O)c(C)n1)C,0.0
43559,CO-ADD:0305926,3.23,c1(C(=O)Nc2ccccc2)cc(c3n1CCN(C)C)cccc3.Cl,0.0
43560,CO-ADD:0312478,3.23,[C@@]1(O[C@@]2(CC1)[C@@H]3C(N(C2)c4ccccc4)=O)(C3)CCC,0.0
43561,CO-ADD:0312486,3.23,[C@@H]12O[C@@]3([C@H]([C@H]1[2H])[2H])[C@@H]([C@@H]2C(OC)=O)C(=O)N(c4ccccc4)C3,0.0
43562,CO-ADD:0310842,3.23,S(=O)(=O)(c(ccc(c1O2)N(C2=O)C)c1)Nc3ccccc3F,0.0
43563,CO-ADD:0311233,3.23,C(CO1)(CO2)(COC2C(CCC=C3)C3)COC1C(CCC=C4)C4,0.0
43564,CO-ADD:0311875,3.23,C1(CCCCC1)(C(=O)OC(C2(C)C)c3ccc(c(OC)c3)OC)C2=O,0.0
43565,CO-ADD:0321469,3.23,c1(N2CCC(CC2)C)nc(C#N)c(c(Cl)c1Cl)Cl,0.0
43566,CO-ADD:0324440,3.23,S(=O)(=O)(NC(CC)C12CC3CC(CC(C3)C1)C2)c4cc(C)ccc4OC,0.0
43567,CO-ADD:0324633,3.23,C1(CC(OC12CCCCC2)=O)C(=O)N([H])c3ccccc3C,0.0
43568,CO-ADD:0323185,3.23,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(NC1c(cc(OC)c(c3[N+](=O)[O-])O)c3)=O,0.0
43569,CO-ADD:0323256,3.23,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(c4cccs4)cc(n1)C(F)(F)F,0.0
43570,CO-ADD:0324697,3.23,c1(NC(=O)c(cc2)ccc2C(=O)c3cc(OC)cc(OC)c3)sc(c4c1C#N)CCC4,0.0
43571,CO-ADD:0324745,3.23,n1c(N)n[nH]c1CC(=O)N(Cc2ccccc2)C3(CCCCC3)C(=O)Nc(cc4)ccc4C,0.0
43572,CO-ADD:0319611,3.23,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/Nc(ccc(c3Cl)Cl)c3,0.0
43573,CO-ADD:0324281,3.23,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)N(CC2)CCN2C34CC(CC5C3)CC(C5)C4,0.0
43574,CO-ADD:0324267,3.23,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/NC(CC3(C)C)CC(N3)(C)C,0.0
43575,CO-ADD:0323676,3.23,c(C(=O)NC(N1)c2cccs2)(sc3c4c(COC)cc(C)n3)c14,0.0
43576,CO-ADD:0320514,3.23,c1(N2CCCCC2)nc(Nc(cccc3C(F)(F)F)c3)nc(Nc(cc4)ccc4OC)n1,0.0
43577,CO-ADD:0323148,3.23,c1(N=P(c2ccccc2)(c3ccccc3)c4ccccc4)c(c(COC)cc(n5)C)c5sc1C(c6ccccc6)=O,0.0
43578,CO-ADD:0323932,3.23,S(=O)(=O)(N(C)C)c(c(C)ccc1C(c(cccc2)c2C(N3CC(=O)Nc(cc4)ccc4OCC(OC)=O)=O)=N3)c1,0.0
43579,CO-ADD:0323948,3.23,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc(cc4)cc(c4n5cccc5)Cl)n2,0.0
43580,CO-ADD:0323581,3.23,c1(OC)c(OC)cc(cc1OC)CNC(=O)c(cc2)ccc2C(c3ccccc3)=O,0.0
43581,CO-ADD:0301176,3.23,c1(SCC(=O)Nc2ccccc2SC)[nH]c(c3n1)ccc(C)c3,0.0
43582,CO-ADD:0300961,3.23,S(=O)(=O)(c1ccc(cc1)CCNC(=O)\C=C/c(cc2)ccc2F)N3CCCC3,0.0
43583,CO-ADD:0304963,3.23,N1C(C)(c2ccc(cc2)C)NN(c3ccccc3)C1=S,0.0
43584,CO-ADD:0304420,3.23,C(O)(c1ccccc1)(c2ccccc2)C#CCN3CCCC3,0.0
43585,CO-ADD:0301081,3.23,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(C)c3)C2c4cccs4,0.0
43586,CO-ADD:0304596,3.23,C(C(C)C)(=O)Oc1ccc(cc1OCC)C=O,0.0
43587,CO-ADD:0305069,3.23,c1(cc([nH]c(n2)CSc3nc(C)cc(C)c3C#N)c2cc1[N+](=O)[O-])[N+](=O)[O-],0.0
43588,CO-ADD:0302607,3.23,C1(=C(c2c(cccc2)CC1(C)C)N=C(N3Cc4ccccc4)NCCO)C3=O,0.0
43589,CO-ADD:0301682,3.23,c1(ccccc1NC(=O)c2ccc(cc2)C)C(=O)NCc3ccco3,0.0
43590,CO-ADD:0302072,3.23,c1(cc(O)ccc1NC(COc2ccccc2Cl)=O)C(O)=O,0.0
43591,CO-ADD:0304314,3.23,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C)c1CN(C)C,0.0
43592,CO-ADD:0304135,3.23,c1(OCc(cc2)ccc2Cl)c(OCC)cc(cc1Cl)C=O,0.0
43593,CO-ADD:0302115,3.23,c1(cc(Br)ccc1NC(Cc(cc2)ccc2OC)=O)C(O)=O,0.0
43594,CO-ADD:0301383,3.23,C1(C(OC)=O)(C(F)(F)F)N=C(c2ccc(cc2)Cl)OC(N(CC3)CCO3)=N1,0.0
43595,CO-ADD:0302012,3.23,n1(c(C)c(C)c(n2)C)c2cc(c3ccccc3)n1,0.0
43596,CO-ADD:0303215,3.23,N1C(c(cc2)ccc2C(F)(F)F)SC[C@H]1C(O)=O,0.0
43597,CO-ADD:0303211,3.23,C1(C(OC)=O)=C(C)NC(=O)CC1c2cc(Br)ccc2F,0.0
43598,CO-ADD:0301966,3.23,[n+]1([O-])onc(C)c1COc2ccccc2\C=C(/C#N)\C(N)=O,0.0
43599,CO-ADD:0303501,3.23,C(=O)(C(c(cc1)ccc1[N+](=O)[O-])N2CCCCC2)Nc3c(C)cccc3C,0.0
43600,CO-ADD:0312267,3.23,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccccc4OCC,0.0
43601,CO-ADD:0310814,3.23,c(OC)(c(OC)c1)c(OC)cc1C(=O)CC(OCC)=O,0.0
43602,CO-ADD:0311576,3.22,C(C(OC)=O)(NNc1ccccc1C)(C(F)(F)F)NC(=O)c2ccco2,0.0
43603,CO-ADD:0307419,3.22,c12c(nnc(SCC(=O)Nc(cc3)ccc3C(OCC)=O)n1)c4c(cccc4)n2CCc5ccccc5,0.0
43604,CO-ADD:0306843,3.22,c1(n(CCOC(=O)c2ccc(cc2)F)c3c(cccc3)n1)c4nonc4NC(=O)c5ccc(cc5)F,0.0
43605,CO-ADD:0306131,3.22,c12c(ccc(c1)[N+](=O)[O-])N=C(OC2=O)\C=C\c(cc3)ccc3OCC,0.0
43606,CO-ADD:0306839,3.22,C(C(=O)OCc(cc1)ccc1OC)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccccc4C,0.0
43607,CO-ADD:0312388,3.22,C(C(OCCOCC)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
43608,CO-ADD:0311060,3.22,c1(nncn1\N=C\c(cc(OC)c(c2[N+](=O)[O-])O)c2)n3c(C)cc(C)n3,0.0
43609,CO-ADD:0311045,3.22,[N+](=O)([O-])c1c(Cl)ccc(c1)C2NC(CCC2[N+](=O)[O-])=O,0.0
43610,CO-ADD:0305970,3.22,c(C#N)(c1c2ccc(cc2)OC(CCC)=O)c(SCc3ccccc3)nc(N)c1C#N,0.0
43611,CO-ADD:0306004,3.22,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccc(cc5)OC)C(OC)=O,0.0
43612,CO-ADD:0307425,3.22,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c5ccc(cc5)NC(C)=O)O1,0.0
43613,CO-ADD:0307518,3.22,N(CC1C)(CC(O1)C)C(=O)c2cc(Cl)ccc2NC(=O)c3ccc(c(OC)c3)OC,0.0
43614,CO-ADD:0306094,3.22,n1(C)cnnc1SCCC(=O)Nc2cccc(OCCCC)c2,0.0
43615,CO-ADD:0312231,3.22,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccs4,0.0
43616,CO-ADD:0312278,3.22,C(CSCC(=O)Nc(cc1)ccc1OCCCC)(=O)Nc(ccc(c23)cccc2)c3,0.0
43617,CO-ADD:0310944,3.22,C1(C2c3ccc(cc3)OC)=C(CC(c4ccccc4OCCC)CC1=O)Nc(c5N2C(CCCCC)=O)cccc5,0.0
43618,CO-ADD:0324513,3.22,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c(C)c1C(OC)=O)C(OC)=O,0.0
43619,CO-ADD:0321343,3.22,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCc4ccccc4Cl)c3)\C2=N,0.0
43620,CO-ADD:0321519,3.22,C1(=CC=CN(CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc4c(C)cccc4C)C1=O)[N+](=O)[O-],0.0
43621,CO-ADD:0321271,3.22,S(=O)(=O)(CC(C12)CC(N1c3ccc(cc3)OC)=O)C2,0.0
43622,CO-ADD:0321312,3.22,N1(N=C(S2)CCCCCCC)C2=NC(=O)\C(=C/c(c3c([nH]4)cccc3)c4)\C1=N,0.0
43623,CO-ADD:0321544,3.22,C(=O)(N(C)CC\C(\N)=N/O)c1cccc(F)c1,0.0
43624,CO-ADD:0324624,3.22,C1(C2=O)C(C(NC1(C)C(O)=O)c3cc(Br)ccc3O)C(N2c4ccccc4)=O,0.0
43625,CO-ADD:0324339,3.22,S(NCCO)(=O)(=O)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4OC(F)(F)F)c1,0.0
43626,CO-ADD:0320253,3.22,C1(=Nc(cccc2)c2C(c3ccccc3)(c4ccccc4)N1)C5=C(C)C=C(NC5=O)C,0.0
43627,CO-ADD:0320269,3.22,c1(sc(c23)nc(c(Cl)c2C)C)c3N=NN(c4ccc(c5c4)cccc5)C1=O,0.0
43628,CO-ADD:0324381,3.22,N1(CC2=NCCc(cc(c(OCC)c3)OCC)c23)C(=O)c4c(cccc4)C1=O.Cl,0.0
43629,CO-ADD:0324859,3.22,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc3c(ccc(c4Cl)F)c4)o3)\C2=N,0.0
43630,CO-ADD:0320177,3.22,c12c(CCNC1c(ccc(c34)OCO3)c4)cc(c(OCC)c2)OCC,0.0
43631,CO-ADD:0318820,3.22,c([N+](=O)[O-])(nn(c1C(=O)Nc(cccc2C(F)(F)F)c2)Cc3ccccc3)c1,0.0
43632,CO-ADD:0323661,3.22,C(=O)(c1ccccc1F)N(CCc(c2c([nH]3)cccc2)c3)C4(CCCCC4)C(=O)Nc5c(C)cccc5C,0.0
43633,CO-ADD:0323269,3.22,c1(SCC(=O)NCC(CC(CC2C3)CC34)(C4)C2)[nH]c(c5n1)cccc5,0.0
43634,CO-ADD:0323302,3.22,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cc(Br)ccc5F,0.0
43635,CO-ADD:0324175,3.22,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2C(=O)OC(C)C)nnc1c(cccn3)c3,0.0
43636,CO-ADD:0324255,3.22,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCc3ccccc3,0.0
43637,CO-ADD:0301121,3.22,c1(c(cccc1\C=N/c(cc2)ccc2N(C)C)OC)OCc3ccc(cc3Cl)Cl,0.0
43638,CO-ADD:0300705,3.22,[N+](=O)([O-])c(cc(N)c(c12)C=Cc(cccc3)c3O1)c2,0.0
43639,CO-ADD:0300514,3.22,S(NCCOc(cc1)ccc1C)(=O)(=O)c2c(OC)cc(c(OC)c2)Cl,0.0
43640,CO-ADD:0301010,3.22,N1(c2ccccc2C)C(\C=C\c3ccccc3OC)Nc(c4C1=O)cccc4,0.0
43641,CO-ADD:0300307,3.22,N(C)(C(=O)C(Cc1ccc(cc1OC)OC)C(N2C)=O)C2=O,0.0
43642,CO-ADD:0305062,3.22,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c(ccc(c5Cl)Cl)c5)O1,0.0
43643,CO-ADD:0301013,3.22,N1(c2ccccc2C)C(c(cc3)ccn3)Nc(c4C1=O)cccc4,0.0
43644,CO-ADD:0300541,3.22,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5c(cccc5F)F)cccc4,0.0
43645,CO-ADD:0301173,3.22,C(C(F)(F)F)(C(F)(F)F)(NC(OCC)=O)Nc1sc(c(CC)c1C#N)C,0.0
43646,CO-ADD:0300717,3.22,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC(C)C45C[C@@]([H])(C[C@@]6([H])C4)C[C@](C6)([H])C5,0.0
43647,CO-ADD:0300398,3.21,c1(NC(=O)CP(c2ccccc2)(c3ccccc3)=O)sc(c4n1)cccc4,0.0
43648,CO-ADD:0301399,3.21,C1(CCCCC1)(C(=O)OC(C2(C)C)c3ccc(Br)o3)C2=O,0.0
43649,CO-ADD:0303889,3.21,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c(cc5)ccc5C(OC)=O,0.0
43650,CO-ADD:0303875,3.21,N1C(c2ccc(c(OC)c2)OCC(N)=O)SCC1C(O)=O,0.0
43651,CO-ADD:0302075,3.21,c1(ccc(cc1NC(COc2cccc(C)c2)=O)Cl)C(O)=O,0.0
43652,CO-ADD:0303481,3.21,N(Cc1ccco1)(C2(CCCCC2)C(=O)Nc(cc3)ccc3Br)C(=O)c4ccccc4O,0.0
43653,CO-ADD:0301574,3.21,C1(CC(c2ccccc2)c(c34)ccc(O)c3O)(CC(C)(C)N=C(SCC=C)N1)O4.Br,0.0
43654,CO-ADD:0301918,3.21,C(=C\c(cc1OC)cc(c1OCCOc2ccccc2C)Cl)(/C(=O)NC(N3)=O)\C3=O,0.0
43655,CO-ADD:0303279,3.21,C(=O)(c1ccccc1N)N2CCCCC2C,0.0
43656,CO-ADD:0303711,3.21,C(=C/c(ccc(c1)N(CC)CC)c1O)(/C(=O)NN2c3ccc(c(Cl)c3)F)\C2=O,0.0
43657,CO-ADD:0303141,3.21,c1(NC(=O)c(ccc(c23)OCO2)c3)nc(c4n1CCN5CCCCC5)cccc4,0.0
43658,CO-ADD:0303212,3.21,c1(NC(Cc(cc2)ccc2Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
43659,CO-ADD:0311591,3.21,n(CC(=O)Nc1ccccc1F)(c2c(c3C#N)cccc2)c3,0.0
43660,CO-ADD:0310995,3.21,c1(SCC(=O)c2ccc(cc2Cl)Cl)nc(C)cc(COC)c1C#N,0.0
43661,CO-ADD:0311534,3.21,n1(\N=C\c(ccc(c2OC)OC)c2)c(CC)nnc1S,0.0
43662,CO-ADD:0310938,3.21,C1(Nc(cc2)ccc2OC(Cl)(F)F)=NCC(C)S1,0.0
43663,CO-ADD:0305882,3.21,c1(c2c(sc1NC(=O)c3cccc(Cl)c3)CCCC2)C(=O)OC(C)C,0.0
43664,CO-ADD:0311895,3.21,C1(c2ccc(cc2)Cl)=Cc3c(OC1=O)cccc3,0.0
43665,CO-ADD:0306346,3.21,N1(c2ccc(cc2)CC)C(=O)C(Cc(cc3)ccc3OCC)C(NC1=O)=O,0.0
43666,CO-ADD:0311951,3.21,c1(SCc(ccc(c2F)OC)c2)nc3c(ccc(Cl)c3)n1C(C)c4ccccc4,0.0
43667,CO-ADD:0312554,3.21,c1cc(c(N2C3C(Cc(scc4)c4[C@H]5C(O)=O)[C@@H]5C2=O)cc1)C(=O)N3Cc6ccccc6,0.0
43668,CO-ADD:0312579,3.21,C1=C[C@@]2([C@]([C@]34[H])([H])[C@@]5(O[C@H]3C(C(OC6=O)=O)C56)CN(C(OC)=O)C2)O[C@H]14,0.0
43669,CO-ADD:0312508,3.21,C(C(CN1c2ccccc2)[C@@H]3C1=O)c(c4[C@@H]3C(=O)OCC)oc(C)c4,0.0
43670,CO-ADD:0311791,3.21,C(C(Cl)(Cl)Cl)(Oc(cc(C)cc1C)c1C2=O)=C2,0.0
43671,CO-ADD:0324838,3.21,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc3c4ccc(cc4Cl)[N+](=O)[O-])o3)\C2=N,0.0
43672,CO-ADD:0323439,3.21,[nH]1c2c(nc1SCc(cc3)ccc3Cl)cccn2,0.0
43673,CO-ADD:0320413,3.21,N1(CCCCCC(=O)Nc(cc(Oc(cc2)ccc2F)cc3[N+](=O)[O-])c3)C(=O)c4c(cccc4)C1=O,0.0
43674,CO-ADD:0323432,3.21,N1(C(=O)\C(\SC1=N)=C\c(ccc2c(ccc(c3Cl)F)c3)o2)c4nonc4NC(C)=O,0.0
43675,CO-ADD:0319516,3.21,c1(C2c3cccc(OC)c3OCC)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
43676,CO-ADD:0320363,3.21,n(c1ccc(cc1[N+](=O)[O-])C(F)(F)F)(c2C)nnc2C(OC)=O,0.0
43677,CO-ADD:0320403,3.21,C1(c2ccccc2)(CC1)NC(=O)N(CC3)CCN3c4ccccc4OC,0.0
43678,CO-ADD:0321345,3.21,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc3c(cc4)ccc4C(OC)=O)o3)\C1=N,0.0
43679,CO-ADD:0321361,3.21,c12c(cccc1C)c(C)cc(SCCC(O)=O)n2,0.0
43680,CO-ADD:0321562,3.21,c1(SCC(=O)NC2CCCCC2)n(CC)c3c(cccc3)n1,0.0
43681,CO-ADD:0324579,3.21,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3OC)\NC(=O)c4ccc(cc4)OCC(C)C)c1C,0.0
43682,CO-ADD:0323729,3.21,c1(nc(C)cc2C)n2c(nn1)SCCCCCCC,0.0
43683,CO-ADD:0323929,3.21,C(Cc(ccc(c1OCC)OCC)c1)(=O)Nc(cc2)ccc2OC,0.0
43684,CO-ADD:0323898,3.21,c1(C2OCCS2)c3c(n(c4ccccc4)n1)cc(cc3SCc5ccccc5)[N+](=O)[O-],0.0
43685,CO-ADD:0321376,3.21,N1(c2ccc(cc2)F)NC(=C(\C=N\Cc(cc3)ccc3OC)C1=O)CCC,0.0
43686,CO-ADD:0320796,3.21,C(=C(\CC)/Nc1ccccc1N)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
43687,CO-ADD:0323612,3.21,C(NCCC(C1)(CC2CC1CC3C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4cccc(F)c4,0.0
43688,CO-ADD:0324336,3.21,S(=O)(=O)(NC(C)C)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4OC(F)(F)F)c1,0.0
43689,CO-ADD:0319710,3.21,N(c1c(cccc1)NC(CC(c2ccc(cc2)Cl)CC3=O)=C34)(C(=O)C(F)(F)F)C4c5ccccc5Cl,0.0
43690,CO-ADD:0324295,3.21,S1(=O)(=O)c2c(c3N1CC(=O)Nc4cccc(OCCCCCC)c4)c(ccc2)ccc3,0.0
43691,CO-ADD:0324248,3.21,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2S(N)(=O)=O)nnc1c(cccn3)c3,0.0
43692,CO-ADD:0324026,3.21,C(=O)(N1CCCCC1)Nc2ccccc2NC(=O)c(cc3)ccc3C(F)(F)F,0.0
43693,CO-ADD:0300868,3.21,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3CCO,0.0
43694,CO-ADD:0300932,3.21,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c(cc2)ccc2C(OC)=O,0.0
43695,CO-ADD:0300308,3.21,N1(c2ccccc2)C(=O)C(Cc3ccc(cc3OC)OC)C(NC1=O)=O,0.0
43696,CO-ADD:0304736,3.21,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(N)=O)n2)Cc3cccc(Cl)c3,0.0
43697,CO-ADD:0300487,3.2,c1(cc(ccc1N(CC2)CCC2C(O)=O)C(F)(F)F)[N+](=O)[O-],0.0
43698,CO-ADD:0300926,3.2,N(CC(=O)OCC(=O)N(CC1)CCO1)(c(cccc2)c23)c(cccc4)c4C3=O,0.0
43699,CO-ADD:0301063,3.2,[N+](=O)([O-])c1ccc(c(N)c1)OC,0.0
43700,CO-ADD:0301898,3.2,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3c(cccc3Cl)F,0.0
43701,CO-ADD:0303742,3.2,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(ccc(c3O)O)c3)\C1=O)=O,0.0
43702,CO-ADD:0303464,3.2,C1(SC(=C2C(OC)=O)C(OC)=O)(S2)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)CN4C(=O)C(C5C4=O)CCCC5)(C)C)=C1c6c3cc(C)c(C)c6,0.0
43703,CO-ADD:0302889,3.2,c1(c2ccccc2)ccc(CCC(O)=O)o1,0.0
43704,CO-ADD:0302875,3.2,C1(C#N)(C#N)C(c2ccccc2)C\C(\C(C)C1(C#N)C#N)=N\Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
43705,CO-ADD:0302883,3.2,c1(c2cccc(c2)NC(Cc(cc3)ccc3Cl)=O)[nH]c(c4n1)cc(c5c4)cccc5,0.0
43706,CO-ADD:0301366,3.2,c1(c2ccccc2NC(C)=O)c(O)nc(c3n1)cccc3,0.0
43707,CO-ADD:0301877,3.2,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CCCC4=O)NC(C)=C3C(OCCc5ccccc5)=O,0.0
43708,CO-ADD:0301464,3.2,c1(NC(=O)c2cccc(F)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OCC,0.0
43709,CO-ADD:0303210,3.2,c1(NC(=O)c2ccc(cc2)Cl)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
43710,CO-ADD:0301337,3.2,N1(c2ccc(cc2)F)C(=O)\C(\SC1=N)=C/c(ccc3c(ccc(c4Cl)F)c4)o3,0.0
43711,CO-ADD:0302871,3.2,C1(C#N)(C#N)C(C2C(C(C#N)=C1N)=CCCC2)c3cc(OC)c(cc3OC)OC,0.0
43712,CO-ADD:0311904,3.2,N1(CN(CC2)CCN2c3ccccc3F)C(=O)C=CC(O)=N1,0.0
43713,CO-ADD:0307173,3.2,n1c(c2)c(cn1c3ccc(cc3)C)ccc2[N+](=O)[O-],0.0
43714,CO-ADD:0306926,3.2,c1(C#N)c(C)cc(nc1Cl)C,0.0
43715,CO-ADD:0311981,3.2,C(=S)(N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NCc3ccco3)NC(=O)c4cccs4,0.0
43716,CO-ADD:0311842,3.2,C1(O)(C(F)(F)F)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C(c3ccccc3Cl)C1C(=O)c4cccs4)C#N,0.0
43717,CO-ADD:0311445,3.2,N1(CC)\C(=N\CC)\SC(C(N)=O)CC1=O,0.0
43718,CO-ADD:0305807,3.2,c1(NC(=O)c2cc(Cl)ccc2OC)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
43719,CO-ADD:0312467,3.2,[C@H]1(O[C@@](CN(C2=O)Cc3ccccc3)(C=C1)[C@]24C)C4,0.0
43720,CO-ADD:0312573,3.2,C1=C[C@]2(O[C@H]13)[C@]([C@@]34[H])([H])[C@@]5(O[C@H]4C6C5C(N(C6=O)C)=O)COC2,0.0
43721,CO-ADD:0305533,3.2,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc(cc4)ccc4Cl,0.0
43722,CO-ADD:0306762,3.2,C(C(=O)OC(C)CC)(C1c2ccc(cc2)SC)=C(C)NC(CCCC3=O)=C13,0.0
43723,CO-ADD:0312048,3.2,S(=O)(=O)(NC(CCSC)C(O)=O)c1cccc(nsn2)c12,0.0
43724,CO-ADD:0320414,3.2,N1(CCCCCC(=O)Nc(cc2)ccc2OC(F)(F)Cl)C(=O)c(c3C1=O)cccc3,0.0
43725,CO-ADD:0323401,3.2,c1(ncn2CC(=O)N3c4c(C(CN(C)CC5)C35)cc(C)cc4)c2C(N(C)C(=O)N1C)=O,0.0
43726,CO-ADD:0321183,3.2,C1(C(OCC)=O)=C(c2ccccc2)O\C(=C(\C(OC)=O)/C(F)(F)F)\S1,0.0
43727,CO-ADD:0323377,3.2,c12c(c(c(C)cc1N)C)nc(C)cc2Cl,0.0
43728,CO-ADD:0323337,3.2,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)OC)c5ccc(cc5)F,0.0
43729,CO-ADD:0323553,3.2,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc4ccccc4,0.0
43730,CO-ADD:0323322,3.2,N(c1c(cccc1)NC(CC(c2ccccc2)CC3=O)=C34)(C(=O)C(F)(F)F)C4c(cc5OC)cc(c5OC)OC,0.0
43731,CO-ADD:0323330,3.2,c1(nc(CCCC2)c2n3)n3cc(c4ccc(cc4)F)n1,0.0
43732,CO-ADD:0324144,3.2,S(=O)(=O)(NCc(cccn1)c1)c2ccc(c(OC)c2)Cl,0.0
43733,CO-ADD:0319773,3.2,c1(ccc(Br)o1)C(=O)NCc(ccc(c23)OCO2)c3,0.0
43734,CO-ADD:0320669,3.2,[nH]1c(cccc2)c2c(CCNC(=O)c3ccccc3NC(=O)c4cccs4)c1C,0.0
43735,CO-ADD:0320117,3.2,[N+](=O)([O-])c1ccc(cc1)\C=C\C(NCCOc(cc2)ccc2OC)=O,0.0
43736,CO-ADD:0319702,3.2,C1(C2c3ccc(cc3)C)=C(CC(c(ccc(c4Cl)Cl)c4)CC1=O)Nc(c5N2C(C)=O)cccc5,0.0
43737,CO-ADD:0320202,3.2,S(NCC#N)(=O)(=O)c1ccccc1C(OC)=O,0.0
43738,CO-ADD:0320532,3.19,c12c(CCNC1c3ccccc3)cc(c(OCC)c2)OCC,0.0
43739,CO-ADD:0320198,3.19,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2F)nnc1c3cccs3,0.0
43740,CO-ADD:0318779,3.19,N1(CCc(cccc2)c12)C(=O)COc(cc3)cc(c3[N+](=O)[O-])C,0.0
43741,CO-ADD:0324486,3.19,c1(SCC(NCCC(C2)(C3)CC(CC3C4)CC24)=O)[nH]c(c5n1)ccc(OC)c5,0.0
43742,CO-ADD:0323239,3.19,C1(Oc2ccccc2[N+](=O)[O-])OC(CO)C(C(O)C1O)O,0.0
43743,CO-ADD:0324728,3.19,N1(c(cccc2C(F)(F)F)c2)C(c3ccc(c4c3)OCO4)C(C1=O)Oc5ccccc5C,0.0
43744,CO-ADD:0301046,3.19,s1c(CC2=CCCCC2)nnc1N,0.0
43745,CO-ADD:0300391,3.19,C(C#N)(C(CC(N1)=O)c2ccc(c(OC)c2)O)=C1SCC(=O)Nc3ccccc3C,0.0
43746,CO-ADD:0300655,3.19,C1(=COc(c2C1=O)ccc(C)c2)C3Nc4c(NC(CC(c5ccc(c(OC)c5)OC)CC6=O)=C36)cccc4,0.0
43747,CO-ADD:0300600,3.19,C1(C(OCCc2ccccc2)=O)=C(C)NC(=C3C1c4cc5c(cc4Cl)OCO5)CCCC3=O,0.0
43748,CO-ADD:0301554,3.19,S(=O)(=O)(N1CCCCC1CC)c(c(Cl)cc(c2C(O)=O)Cl)c2,0.0
43749,CO-ADD:0301629,3.19,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccccc5F)cccc4,0.0
43750,CO-ADD:0304359,3.19,C(NC(C)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c(CCN2C)c1C(OC)=O)C2,0.0
43751,CO-ADD:0303922,3.19,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5ccc(cc5)F)cccc4,0.0
43752,CO-ADD:0303469,3.19,N1(c2c(c3S1(=O)=O)c(ccc2)ccc3)S(=O)(=O)c4ccc(cc4[N+](=O)[O-])C,0.0
43753,CO-ADD:0302911,3.19,n(NCc1cccs1)(cnn2)c2,0.0
43754,CO-ADD:0302510,3.19,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4Br)F)c4)\C1=O,0.0
43755,CO-ADD:0301277,3.19,c1(CSc2sc(c3n2)cccc3)n(CC)c4c(cccc4)n1,0.0
43756,CO-ADD:0303005,3.19,C(=C/c1c(OC)cc(cc1OC)OC)(/C(=O)NC(N2C3CCCCC3)=O)\C2=O,0.0
43757,CO-ADD:0301743,3.19,N(\C(=C/c(cc1)ccc1N(C)C)\C(O2)=O)=C2c3cccc(OC)c3,0.0
43758,CO-ADD:0303530,3.19,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cc(OC)c(cc5OC)OC)cccc4,0.0
43759,CO-ADD:0302588,3.19,N1(c(cc2)ccc2C(=O)N(CCCC)CCCC)C(=O)C3C(C4CC3C=C4)C1=O,0.0
43760,CO-ADD:0312134,3.19,C(C(OC)=O)(NC(CC)=O)(C(F)(F)F)Nc1sc(c(c2ccccc2)c1C(OCC)=O)CC,0.0
43761,CO-ADD:0306931,3.19,N1(c2ccc(c3c2)OCO3)\C(=N\c(ccc(c45)OCO4)c5)\S\C(=C\c(cc6)ccc6OCc7ccccc7F)\C1=O,0.0
43762,CO-ADD:0306208,3.19,C12(C(CC)N)CC3CC(CC(C3)C1)C2.Cl,0.0
43763,CO-ADD:0307592,3.19,[C@@H]1([C@@]([H])(CC=C2)[C@]2([H])c3c(ccc(C(O)=O)c3)N1)c4c(cccc4Cl)F,0.0
43764,CO-ADD:0306705,3.19,N(=C\c(cc1)ccc1Cl)/C(C(C)C)C(=O)[O-].[Na+],0.0
43765,CO-ADD:0305823,3.19,c1(NC(=O)c2cccc(Br)c2)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
43766,CO-ADD:0307054,3.19,c1(cccc(F)c1F)C(=O)N(CC2)CCO2,0.0
43767,CO-ADD:0307368,3.19,c1(non2)c2nc(Nc3ccccc3F)c(N\N=C/c(cc(OC)c(c4[N+](=O)[O-])O)c4)n1,0.0
43768,CO-ADD:0306868,3.19,N1(c2c(cccc2)Sc(ccc(Cl)c3)c13)C(=O)CN(CC4)CCN4CCOCCO,0.0
43769,CO-ADD:0306922,3.19,N1(Cc2ccccc2)C(=O)c3c(cc(cc3N=[N+]=[N-])N=[N+]=[N-])S1=O,0.0
43770,CO-ADD:0306998,3.19,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)OC(C=C(C)OC4=O)=C24,0.0
43771,CO-ADD:0311106,3.19,N(c1ccc(cc1)OCCC)(C2)C(=O)CC2C(=O)N(CC3)CCN3C(c4ccccc4)c5ccccc5,0.0
43772,CO-ADD:0323434,3.19,C(=C/c1c[nH]nc1c2ccc(cc2)F)(/C(=O)NN3c4cccc(Cl)c4)\C3=O,0.0
43773,CO-ADD:0318751,3.19,[N+](=O)([O-])c1ccc(c(c1)\N=C\c2cc(Br)ccc2O)C,0.0
43774,CO-ADD:0324810,3.19,S(=O)(=O)(c(cc1)ccc1S(=O)(=O)N(CC2)CCO2)N(CC3)CCN3C45CC6CC(CC(C6)C4)C5,0.0
43775,CO-ADD:0323475,3.19,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)OC)NC3=C1C(=O)NC(N3CCc(ccc(c4OCC)OCC)c4)=O,0.0
43776,CO-ADD:0323315,3.19,n1(c2ccccc2)c(c3cccs3)nnc1Sc4c(c5ccccc5)c6c(nc4O)cccc6,0.0
43777,CO-ADD:0323251,3.19,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(c4ccc(cc4)C)cc(n1)C(F)(F)F,0.0
43778,CO-ADD:0323555,3.19,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc4ccco4,0.0
43779,CO-ADD:0321240,3.19,C12(CC(OC1=O)C)CC(OC2=O)C,0.0
43780,CO-ADD:0318707,3.19,N(CC1N2CCc(cccc3)c13)(C2c4ccc(c(OCC)c4)OC)S(c5ccccc5)(=O)=O,0.0
43781,CO-ADD:0318835,3.19,c1(NC(COc2cccc(C)c2C)=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
43782,CO-ADD:0318708,3.19,c(NC(=O)C(OC)(F)C(F)(F)F)(s1)c(C#N)c(c1C(=O)N2CCCCC2)C,0.0
43783,CO-ADD:0318877,3.19,C(=N/c(cc1)ccc1F)(/SC(C(=O)Nc(cc2)ccc2C(O)=O)CC3=O)\N3CCc4ccccc4,0.0
43784,CO-ADD:0318980,3.19,[N+](=O)([O-])c1cccc(c1)NC(=O)c2ccccc2C(=O)N3CCCCC3,0.0
43785,CO-ADD:0319964,3.19,C(=O)(Nc(c1)cc(cc1C(F)(F)F)C(F)(F)F)c2ccccc2SC,0.0
43786,CO-ADD:0324050,3.19,c1(SCC(=O)Nc2ccccc2F)sc(c3n1)ccc(Cl)c3,0.0
43787,CO-ADD:0321224,3.18,c1(cc(nn1c2ccc(cc2)OC(F)(F)Cl)C)NC(=O)Nc(cc3)ccc3C,0.0
43788,CO-ADD:0319272,3.18,c12c(nnc(SCC(=O)NC3CCCC3)n1)c4c(cccc4)n2CCC,0.0
43789,CO-ADD:0324692,3.18,n1(CC=C)c(SCC(=O)NC(C)(C)C)nnc1c2ccco2,0.0
43790,CO-ADD:0324532,3.18,c1(c2ccccc2O)c3c(ccc(cccc4)c34)nc(CCC(C)C5)c15,0.0
43791,CO-ADD:0304988,3.18,C(C(=O)c1ccc(cc1)C)(C2c3cccc(F)c3)=C(O)C(N2CC=C)=O,0.0
43792,CO-ADD:0304908,3.18,S(C)(=O)(=O)N(CC1)CCN1C(c2ccccc2)=O,0.0
43793,CO-ADD:0304533,3.18,C(C#N)(C(c1cccs1)C2C(OC)=O)=C3N(C2=O)CCCS3,0.0
43794,CO-ADD:0300722,3.18,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(=O)c4ccccc4F,0.0
43795,CO-ADD:0305093,3.18,n12c(nnc1[N+](=O)[O-])nc(N)nc2N,0.0
43796,CO-ADD:0303546,3.18,c1(nnc(NC(=O)C(F)(F)F)[nH]1)c2nnc(NC(=O)C(F)(F)F)[nH]2,0.0
43797,CO-ADD:0303066,3.18,c(C(=O)N1CCCCCC1)(c(c2ccccc2)nn3c4ccccc4)c3C,0.0
43798,CO-ADD:0302805,3.18,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(c(OC)c4)OCCC)c3C#N)C#N,0.0
43799,CO-ADD:0303072,3.18,c1(N2CCC(CC2)CCc(cc3)ccc3OC)scc(c4ccccc4)n1,0.0
43800,CO-ADD:0303308,3.18,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N(CC2)CCN2C(C)=O)F,0.0
43801,CO-ADD:0301972,3.18,C(=N/O)(/C#N)\C(\N)=N/O,0.0
43802,CO-ADD:0303791,3.18,C(C(=O)c1ccc(cc1)Cl)(C2c3ccccc3)=C(O)C(N2CCN(C)C)=O,0.0
43803,CO-ADD:0303465,3.18,S(=O)(=O)(N(CCCC1C(=O)N(CC)CC)C1)c2c(ccc(c2)[N+](=O)[O-])N\N=C(/CCCCCC3)\C3,0.0
43804,CO-ADD:0302766,3.18,c12c(C(N(C)C(=O)N1C)=O)n(c(SCc(cc3)ccc3F)n2)Cc(ccc(c4Cl)Cl)c4,0.0
43805,CO-ADD:0303056,3.18,[n+]1([O-])n(C)nc([N+](=O)[O-])c1NC(C)C,0.0
43806,CO-ADD:0303297,3.18,c1(C(=O)NCc(cc2)ccc2C(C)C)[nH]c(c3n1)cccc3,0.0
43807,CO-ADD:0301607,3.18,c1(C(c2ccccc2)=O)oc(c3c1NC(Cc4ccccc4)=O)cccc3,0.0
43808,CO-ADD:0306224,3.18,n1(c2ccc(cc2)OC)c(C)c(cc1C)\C=N/NC(=O)c3nonc3N,0.0
43809,CO-ADD:0307637,3.18,c1(C(=O)Nc(cc2)ccc2OC)c(Cl)c(c3s1)ccc(c4ccccc4)c3,0.0
43810,CO-ADD:0305744,3.18,C(C(OC)=O)(=CN(Cc(cc1)ccc1Cl)C=C2C(OC)=O)C2c3ccc(c(OC)c3OC)OC,0.0
43811,CO-ADD:0306965,3.18,N1(c2ccc(cc2Cl)Cl)C(=O)\C(\SC1=N)=C/c(cc3)ccc3OCc4ccccc4F,0.0
43812,CO-ADD:0311663,3.18,n12c(nnc1CC(N)=O)c(nc(non3)c23)Nc(cc4)ccc4C,0.0
43813,CO-ADD:0312183,3.18,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3S(=O)(=O)c4ccc(cc4)Br,0.0
43814,CO-ADD:0310840,3.18,N1(C(OCCCl)=O)c2c(OC1=O)ccc(Cl)c2,0.0
43815,CO-ADD:0311107,3.18,N1(c2ccc(cc2)OCCC)CC(CC1=O)C(=O)Nc3ccccc3OC,0.0
43816,CO-ADD:0307232,3.18,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc4c2c(C)nn4c5cccc(Cl)c5,0.0
43817,CO-ADD:0311110,3.18,N1(c2ccc(cc2)NC(C)=O)C(c3ccc(cc3)CC)Nc(c4C1=O)cccc4,0.0
43818,CO-ADD:0311074,3.18,c1(cnc(C)n1CC(=O)Nc2c(C)cccc2C)[N+](=O)[O-],0.0
43819,CO-ADD:0311158,3.18,C1(=S)NC2(NN1C(C)(C)C)CCCCC2,0.0
43820,CO-ADD:0319816,3.18,C(/Nc1ccc(cc1F)F)(\Nc2nc(C)cc(C)n2)=N\C(C)=O,0.0
43821,CO-ADD:0320072,3.18,N1(CCC[C@H]2CN)[C@]2([H])CCCC1,0.0
43822,CO-ADD:0321300,3.18,C1(\C(=N\c2ccc(cc2C)Cl)\SS3)=C3C(Nc(ccc(OCC)c4)c14)(C)C,0.0
43823,CO-ADD:0320752,3.18,c1(nc(c2n1Cc3cc(C)ccc3OC)cccc2)c4nonc4N,0.0
43824,CO-ADD:0320768,3.18,n1(c2c(n3)cccc2)c3S\C(=C/c(cc(OC)c(c4)O)c4Cl)\C1=O,0.0
43825,CO-ADD:0324740,3.18,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5ccc(cc5)OC(F)(F)F)cccc4,0.0
43826,CO-ADD:0324500,3.18,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(c(OCC)c5)OCc(cc6)ccc6Cl)cccc4,0.0
43827,CO-ADD:0324645,3.18,C12=C(c3c(cccc3)OC1=O)Nc(ccc(cccc4)c45)c5C2c6ccc(c(OC)c6)O,0.0
43828,CO-ADD:0321330,3.17,C(F)(F)(C(F)(F)F)\C(\Nc1cc(OC)cc(OC)c1)=C(/C#N)\C#N,0.0
43829,CO-ADD:0321218,3.17,c1(NC(CCCCCN2C(=O)c(c3C2=O)cccc3)=O)sc(c4c1C#N)CCC4,0.0
43830,CO-ADD:0321226,3.17,c1(SC(=S)N2CCCC2)c(Cl)c(Cl)nc(Cl)c1C(OCC)=O,0.0
43831,CO-ADD:0320167,3.17,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c4ccccc4F)o3,0.0
43832,CO-ADD:0318996,3.17,c12c(c(ccc1)CC3)c3ccc2C(NCCOc4ccccc4Cl)=O,0.0
43833,CO-ADD:0321102,3.17,[N+](=O)([O-])c1ccc(cc1C)OCC(=O)Nc2cccc(C)n2,0.0
43834,CO-ADD:0318850,3.17,C(C(=O)c1ccc(cc1)Cl)(C2c3ccccc3)=C(O)C(N2Cc(cccn4)c4)=O,0.0
43835,CO-ADD:0321004,3.17,N1(C(C)=O)\C(=C\c(cc(ccc(c2)C)c2n3)c3O)\C(NC1=S)=O,0.0
43836,CO-ADD:0323885,3.17,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2C(c3c(cccc3)C(N4)Nc(cc5)ccc5F)=N4)c2,0.0
43837,CO-ADD:0304958,3.17,C1(=S)NC2(NN1c3ccc(cc3)C)CCC(CC2)CC,0.0
43838,CO-ADD:0301171,3.17,N1(c2ccc(cc2)Oc3ccccc3C)C(=O)C4C(C5CC4CC5)C1=O,0.0
43839,CO-ADD:0301195,3.17,N1(C2c3cccs3)C(S\C(=C/c(c(cccc4)c4n5CC(OCC)=O)c5C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
43840,CO-ADD:0300948,3.17,N1(c2cccc(C)c2)CC(CC1=O)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
43841,CO-ADD:0300484,3.17,N1(c2ccc(c(C)c2)C)CC(CC1=O)C(O)=O,0.0
43842,CO-ADD:0305316,3.17,c12c(ccc(OCC)c1I)C(C)=C(C(=O)O2)CC,0.0
43843,CO-ADD:0305251,3.17,S(C)(=O)(=O)N1CCc(cc(Br)cc2)c12,0.0
43844,CO-ADD:0305244,3.17,S(=O)(=O)(NC1CC1)c(cc(c(c2[N+](=O)[O-])C)[N+](=O)[O-])c2,0.0
43845,CO-ADD:0301038,3.17,[n+]1([O-])onc(ccc(C#N)c2)c12,0.0
43846,CO-ADD:0300395,3.17,n(c1OCC(F)(F)F)c(OCC(F)(F)F)nc(NCCC)n1,0.0
43847,CO-ADD:0303701,3.17,C1(C)(C)Oc(c2O1)ccc(c2)NC(=O)c(cc3)ccc3C(c4ccccc4)=O,0.0
43848,CO-ADD:0303694,3.17,S(=O)(=O)(c1ccc(cc1)NC(=O)C(CC)c2ccccc2)N(CC3)CCO3,0.0
43849,CO-ADD:0301747,3.17,C(=O)(CN(CC1)CCN1Cc2ccccc2)Nc(cc3)ccc3F,0.0
43850,CO-ADD:0301295,3.17,n(cc1)ccc1Cc(cc2)ccc2O,0.0
43851,CO-ADD:0301734,3.17,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c3ccccc3OCCOc(cc4)ccc4C(C)(C)C)\C1=O)=O,0.0
43852,CO-ADD:0304152,3.17,C(C(OC)=O)(=CN(Cc(cc1)ccc1F)C=C2C(OC)=O)C2c3ccc(cc3)Cl,0.0
43853,CO-ADD:0301494,3.17,C1(CCCCC1)(C(=O)OC(C2(C)C)c(cc3)ccc3[N+](=O)[O-])C2=O,0.0
43854,CO-ADD:0301486,3.17,[N+]1(CCS2)=C2c3c(cccc3)CC14CCCC4.[Br-],0.0
43855,CO-ADD:0304378,3.17,S(=O)(=O)(N(C)C)Oc(ccc(c1S2)OC2=O)c1,0.0
43856,CO-ADD:0303892,3.17,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c(cccn5)c5,0.0
43857,CO-ADD:0303864,3.17,N1C2(CCC(CC2)C)NN(C)C1=S,0.0
43858,CO-ADD:0302431,3.17,S(c1ccccc1)(=O)(=O)N2CCCC2C(=O)NC(C)c3ccccc3,0.0
43859,CO-ADD:0311062,3.17,c1(SC(C)C)nnnn1c2ccc(cc2)OC,0.0
43860,CO-ADD:0311047,3.17,C1(NC(CCC1[N+](=O)[O-])=O)c2cc(OC)c(cc2OC)Br,0.0
43861,CO-ADD:0311208,3.17,N1(Cc2ccccc2)C(=O)C(NC1=O)(C)C,0.0
43862,CO-ADD:0306117,3.17,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(CC)=O,0.0
43863,CO-ADD:0310912,3.17,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)\C=C\c4ccc(cc4Cl)Cl,0.0
43864,CO-ADD:0310907,3.17,[N+](=O)([O-])c1c(OCC)ccc(c1)C(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc4ccccc4,0.0
43865,CO-ADD:0307541,3.17,c12c(cc(C)c(C)c1)NC(CC2c3cc(Br)ccc3F)=O,0.0
43866,CO-ADD:0311476,3.17,S(=O)(=O)(c1ccc(cc1)OCC)Nc(cc2)ccc2c3csc(c4ccccc4)n3,0.0
43867,CO-ADD:0312191,3.17,n1(c(cc2)ccc2C(=O)OCc3cccc(Br)c3)nnnc1SCC(OCC)=O,0.0
43868,CO-ADD:0307022,3.17,N1(c2ccc(cc2)C)C(=O)C(C3C1=O)C4C=CC3CC4,0.0
43869,CO-ADD:0311230,3.17,N1(c2ccccc2O)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
43870,CO-ADD:0307393,3.17,N1(C(=O)CN2CCCCC2)c3c([C@]([H])(CN(C)CC4)[C@@]14[H])cc(C)cc3,0.0
43871,CO-ADD:0319769,3.17,c1(NC(COc2ccc(cc2C3CCCCC3)Cl)=O)sc(c4c1C(N)=O)CCCC4,0.0
43872,CO-ADD:0320050,3.17,N(CC1N2CCc(cccc3)c13)(C2c4ccc(c(OCC)c4)OC)S(=O)(=O)c5ccc(c6c5cccn6)OC,0.0
43873,CO-ADD:0320682,3.17,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(COc(cc3)ccc3F)=O)c2C,0.0
43874,CO-ADD:0319779,3.16,[N+](=O)([O-])c1ccccc1C(=O)NCc(ccc(c23)OCO2)c3,0.0
43875,CO-ADD:0323925,3.16,S(=O)(=O)(Oc(cc1)ccc1F)NC(=O)Nc(cc2)ccc2OC(Cl)(F)F,0.0
43876,CO-ADD:0323726,3.16,c1(C2C)c(CC(C)N2)c3c(cccc3)[nH]1.Cl,0.0
43877,CO-ADD:0323630,3.16,C(C)(C)(C(=O)OC(C1(C)C)C(=O)c2ccc(cc2)Cl)C1=O,0.0
43878,CO-ADD:0324391,3.16,c1(S(CC)(=O)=O)c(C(=O)c2ccc(cc2)OC)n(c3c1S(CC)(=O)=O)ccc(C(C)(C)C)c3,0.0
43879,CO-ADD:0324127,3.16,S(=O)(=O)(c1ccc(c(C)c1)OC)Nc(cccn2)c2,0.0
43880,CO-ADD:0324535,3.16,n1c(c2ccc(c(OC)c2)OC)nnn1CC(NCCc(ccc(c3OCC)OCC)c3)=O,0.0
43881,CO-ADD:0318661,3.16,C(F)(F)(F)Oc(cc1)ccc1NC(CSc2ccccn2)=O,0.0
43882,CO-ADD:0318757,3.16,[N+](=O)([O-])c(cc1)ccc1C(CSCC(=O)Nc(ccc(c23)cccc2)c3)=O,0.0
43883,CO-ADD:0319217,3.16,c1(c2)c(cc(OC)c2NC(=O)c(cc3)ccc3C4CCCCC4)c5c(cccc5)o1,0.0
43884,CO-ADD:0321119,3.16,c12c(ccc(OCC(=O)Nc(cc3)ccc3F)c1)OCO2,0.0
43885,CO-ADD:0318766,3.16,C(O)(c1cccc(Cl)c1)(c2cccc(Cl)c2)C(C3CCN4CC3)C4,0.0
43886,CO-ADD:0318718,3.16,c1(noc(c2ccc(cc2)Cn(ccc3[N+](=O)[O-])n3)n1)c4nonc4N,0.0
43887,CO-ADD:0300740,3.16,c1(nnc(Cc(cc2)ccc2Cl)s1)NC(=O)c3ccccc3F,0.0
43888,CO-ADD:0300965,3.16,c1(SC(C)C(=O)NC(c2ccccc2)c3ccccc3)nnnn1c4ccccc4,0.0
43889,CO-ADD:0300557,3.16,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccc(C)o5)cccc4,0.0
43890,CO-ADD:0300333,3.16,N1(c2ccc(cc2)OCC)CC(CC1=O)C(=O)NC(C)CCCC,0.0
43891,CO-ADD:0301165,3.16,N1=C(SCC=C)NC(CC1(CC(c2ccccc2)c3c4cc(c(Cl)c3)O)O4)(C)C.Br,0.0
43892,CO-ADD:0300709,3.16,C(/c1c(OC)ccc(cccc2)c12)=C(/CCc(c34)cccc3)\C4=O,0.0
43893,CO-ADD:0304883,3.16,c1(ccccc1Br)NN.Cl,0.0
43894,CO-ADD:0304182,3.16,C12(CCC(CC1)C(C)(C)C)SC(C(=O)N2c3ccc(cc3)Br)C,0.0
43895,CO-ADD:0303578,3.16,C(CSCC(OCC)=O)(=O)Nc(cc1)ccc1OCCCC,0.0
43896,CO-ADD:0303945,3.16,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccccc5C)cccc4,0.0
43897,CO-ADD:0303574,3.16,c(Nc(cccc1C(F)(F)F)c1)(nc(Cl)nc2NC(C)C)n2,0.0
43898,CO-ADD:0304222,3.16,n(CCc1ccccc1)(c2c(n3)ccc(c2)C(F)(F)F)c3C,0.0
43899,CO-ADD:0301740,3.16,C(/c1c(N2)ccc(Br)c1)(\C2=O)=C(\SC(N3CCC(O)=O)=S)/C3=O,0.0
43900,CO-ADD:0303979,3.16,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)Nc3ccccc3,0.0
43901,CO-ADD:0304010,3.16,C(C(OC)=O)(C1c(cc2)ccc2C(F)(F)F)=C(C)NC(CCCC3=O)=C13,0.0
43902,CO-ADD:0303314,3.16,C(C#N)(C(c1ccccc1C)C2C(OC)=O)=C(SCc3cccc(cccc4)c34)NC2=O,0.0
43903,CO-ADD:0303290,3.16,c1(cc(Cl)ccc1N(CC2)CCN2C(=O)c3ccccc3Br)[N+](=O)[O-],0.0
43904,CO-ADD:0302804,3.16,N1(c2cc(C)ccc2C)C(=O)\C(\SC1=N)=C\c(ccc3c4ccccc4C(O)=O)o3,0.0
43905,CO-ADD:0302753,3.16,C(=CC(\C=C\c(ccc1c(cccc2C(OC)=O)c2)o1)=NC3=O)(C(F)(F)F)N3,0.0
43906,CO-ADD:0305905,3.16,N(C(COc(cc1)ccc1I)=O)c2cccc(C)n2,0.0
43907,CO-ADD:0306919,3.16,c1(noc(COc2c(F)c(F)cc(F)c2F)n1)c3nonc3N,0.0
43908,CO-ADD:0305581,3.16,c1(OCc2ccccc2Cl)c(OC)cc(cc1OC)C=O,0.0
43909,CO-ADD:0305613,3.16,c1(cc[nH]n1)C(NCCc(ccc(c2OC)OC)c2)=O,0.0
43910,CO-ADD:0306335,3.16,C(CC(C(=O)NC(N1)=S)=C1O)(C(=O)NC(N2)=S)=C2O,0.0
43911,CO-ADD:0307212,3.16,N(NC(=C1\C(\C)=N\c(cc2)ccc2C)c3ccccc3)(C1=O)c4sc(c5n4)cccc5,0.0
43912,CO-ADD:0305941,3.16,c1(c2c(sc1NC(=O)c(cccc3[N+](=O)[O-])c3C)CCCC2)C(=O)OC(C)C,0.0
43913,CO-ADD:0305661,3.16,C(=C(C)NC(=C1C#N)SCC(=O)Nc2ccc(cc2C)C)(C(=O)Nc3ccccc3C)C1c4ccccc4,0.0
43914,CO-ADD:0312006,3.16,c1(NC(CCCC)=O)c(c2ccccc2)nc(cc(C)cc3)n13,0.0
43915,CO-ADD:0312128,3.16,C(Nc(cc1)ccc1OC(F)(Cl)F)(C(OCC)=O)(C(F)(F)F)NC(OCC)=O,0.0
43916,CO-ADD:0305904,3.16,C(COc(cc1)ccc1I)(=O)Nc(cccn2)c2,0.0
43917,CO-ADD:0312636,3.16,c(cc1c2C(C(CC(=O)N(C\C=C\c3ccccc3)c4ccc(c5ccccc5)cc4)C(=O)O)C(C6)C(C1C(=O)O)C(=O)N6c7ccc(c8ccccc8)cc7)cc2,0.0
43918,CO-ADD:0320115,3.16,[N+](=O)([O-])c1ccc(cc1)\C=C\C(NCCOc2ccccc2OC)=O,0.0
43919,CO-ADD:0319908,3.16,N1(C(C)(C)CC(CC1(C)C)=O)OC(=O)c2ccccn2,0.0
43920,CO-ADD:0323174,3.15,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cccc4[N+](=O)[O-])c4,0.0
43921,CO-ADD:0324627,3.15,C12(CCC(=NN1c3ccccc3)c4ccc(cc4)CC)N(c5cccc(c5)[N+](=O)[O-])N=C(C(C)=O)S2,0.0
43922,CO-ADD:0324012,3.15,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2c(C)ccc(c2)[N+](=O)[O-],0.0
43923,CO-ADD:0323997,3.15,S(NCCOC(C1)(C2)CC(CC2CC13)C3)(=O)(=O)c4ccc(c(OC)c4)Cl,0.0
43924,CO-ADD:0321051,3.15,c1(Nc2cccc(F)c2)c(Cl)c(C#N)nc(Cl)c1Cl,0.0
43925,CO-ADD:0324345,3.15,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c(c3c4cccc3)nnc4Nc5ccc(cc5C)C)c2,0.0
43926,CO-ADD:0320740,3.15,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cccc(O)c5,0.0
43927,CO-ADD:0323816,3.15,S(=O)(=O)(c1ccc(cc1)C)OC(CC2(C)C)CC(N2OC(c3ccccc3)=O)(C)C,0.0
43928,CO-ADD:0320766,3.15,c1(c2ccccc2F)nnn(CC(=O)Nc3cccc(F)c3)n1,0.0
43929,CO-ADD:0318701,3.15,c(c1c(cc2)ccn2)(C3c4ccccc4OCCC)c([nH]n1)OC(N)=C3C#N,0.0
43930,CO-ADD:0318821,3.15,c1(C(OCC)=O)c(c2ccccc2)csc1NC(COc3cccc(C)c3C)=O,0.0
43931,CO-ADD:0319428,3.15,c1(N2CCCCC2)nc(NCCOC(C3)(CC(CC34)CC5C4)C5)nc(OCC(F)(F)F)n1,0.0
43932,CO-ADD:0319524,3.15,c1(c2c(cs1)CCCC2)C(=O)NC3CC3,0.0
43933,CO-ADD:0319060,3.15,N(CC1)(CCN1Cc2ccccc2)CC(=O)c3ccc(cc3)Br,0.0
43934,CO-ADD:0321103,3.15,C1(C)(C)C(C1\C=C(/Cl)\Cl)C(=O)Nc(cccn2)c2,0.0
43935,CO-ADD:0321111,3.15,c1(NC(C2CCCC2)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
43936,CO-ADD:0319382,3.15,C(=O)(CN(CC1)CCN1CC#N)Nc(cc2)ccc2OC,0.0
43937,CO-ADD:0319384,3.15,N(CN(CC1)CCC12OCCO2)(N=C(N3c4ccccc4)c5ccc(cc5)Cl)C3=S,0.0
43938,CO-ADD:0321099,3.15,n1(C(=O)COc2ccc(cc2F)F)c3c(nc1)cccc3,0.0
43939,CO-ADD:0136585,3.15,O=[As](O)(O)c(ccc1NC(OCC)=O)c(O)c1,0.0
43940,CO-ADD:0135865,3.15,O=C(N([H])c(c(C1=S)n2)n(c(cccc3)c3)c2)N1[H],0.0
43941,CO-ADD:0136941,3.15,O=C1c2c(C(c(c(O)cc3)c1c3Nc(ccc4CCO)cc4)=O)cccc2,0.0
43942,CO-ADD:0136675,3.15,[H]C(/C)=C(/C1=O)CC(=C)[C@@](C)(O)C(=O)OCC([C@]([C@@](CC2)(O1)[H])(N23)[H])=CC3,0.0
43943,CO-ADD:0136540,3.15,C1=C(c2ccccc2)N([H])c3n(nc(c4ccco4)c3)C1=O,0.0
43944,CO-ADD:0136016,3.15,[H]c(ccc1)c(C2=Nc(c(C(=O)N2)c(N)n3)n3[H])c1,0.0
43945,CO-ADD:0137183,3.15,O1c(cc(OC)c(OC)c2)c2[C@@]([C@@](C1)(O3)[H])(C(c(ccc(c4C[C@@]5(C(=C)C)[H])O5)c34)=O)[H],0.0
43946,CO-ADD:0136825,3.15,C1CN(C(c2ccc(C(C)(C)C)cc2)=O)C3(CCCCC3)O1,0.0
43947,CO-ADD:0136913,3.15,N1(CC(O)COc(cc(OC)cc2)c2)CCN(CC1)c(ccc(c3)Cl)c3,0.0
43948,CO-ADD:0136698,3.15,n1([H])c(cccc2)c2c3c1cc(C)c(c3c(C(=O)OC)cc4C)n4,0.0
43949,CO-ADD:0136706,3.15,O1C(Nc2cc(C)c(C)cc2C(OC)=O)C(O)C(O)C1CO,0.0
43950,CO-ADD:0135765,3.15,n1ccc(c(c1)nn2)n2c(ccn3)cc3,0.0
43951,CO-ADD:0135925,3.15,O1C(C(O)=O)OCC(COC(C(O)=O)O2)(C1)C2,0.0
43952,CO-ADD:0137233,3.15,O1C(C(CC)C(=O)C(C)C(O)C(C)CCc(c(C(O)=O)c(O)c(C)c2)c2)C(C)CC1(CC)C3CCC(CC)(O)C(C)O3,0.0
43953,CO-ADD:0137221,3.15,O=C(C(C(C)C)N1[H])N([H])C(CC(C)C)C(OC(C(C)C)C(N(C(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)OCC(C)CC1=O)[H])=O)=O,0.0
43956,CO-ADD:0136403,3.15,n1ccsc1N=Nc2c3c(cccc3)ccc2O,0.0
43957,CO-ADD:0136419,3.15,O(C(=O)c(ccc(N)c1)c1)c(ccc([N+](=O)[O-])c2)c2,0.0
43958,CO-ADD:0136005,3.15,n1c(c(ccc2)ccc1OCCN3CC3)c2,0.0
43960,CO-ADD:0136684,3.15,O=C1c2c(cccc2)C(c(ccc3)c1c3n4c(ccc5)c(c5)nn4)=O,0.0
43961,CO-ADD:0136760,3.15,c1(C(C)(C)C)ccc(C(Nc2ccc(S(N)(=O)=O)cc2)=O)cc1,0.0
43962,CO-ADD:0135786,3.15,n1cc(CO)n(C)c1c2ccccc2,0.0
43963,CO-ADD:0136581,3.15,N1=CN([H])c(c(C1=S)n2)n(C3C(C4C(CO)O3)OC(C)(C)O4)c2,0.0
43964,CO-ADD:0136558,3.15,n1c(OS(=O)(=O)c(ccc(C)c2)c2)cc(N)c3c1CCC3,0.0
43965,CO-ADD:0136566,3.15,Clc1ccc(cc1)OS(=O)(=O)c2c(c(ccc2)ccc3)n3,0.0
43966,CO-ADD:0136598,3.15,Clc(cc1NC(=O)c2c(O)cc(cccc3)c3c2)ccc1C,0.0
43967,CO-ADD:0136678,3.15,O=C(N(C)c(c1C2=O)nc(SCc3ccccn3)n1C)N2[H],0.0
43968,CO-ADD:0136423,3.15,n1c(c2ccccc2)n3c(oc(c(ccc4)s4)n3)n1,0.0
43969,CO-ADD:0136567,3.15,O=[As](O)(O)c(cc([N+](=O)[O-])c(OCC(O)=O)c1)c1,0.0
43970,CO-ADD:0137147,3.14,n1([H])c(cc(OC)cc2)c2c(c1[C@@](C[C@]3([C@](C[C@@H](OC(CC(C)=O)=O)[C@H](OC)[C@H]3C(OC)=O)(C4)[H])[H])(N45)[H])CC5,0.0
43971,CO-ADD:0136655,3.14,[H]N1C(N)=CC(N=C1NP(OCCC)(OCCC)=S)=O,0.0
43972,CO-ADD:0135966,3.14,S1c(cc(cccc2)c23)c(Nc(c1ccc4)c4)c3,0.0
43973,CO-ADD:0135879,3.14,c1(N)nc(N(CCCC)[H])cc(Cl)n1,0.0
43974,CO-ADD:0135807,3.14,C1CCC(=C(C#N)C(=O)N2[H])C2(O)C1,0.0
43975,CO-ADD:0136835,3.14,O=C(N(C)c(c1C2=S)nc(SCCN3CCCC3)n1[H])N2C,0.0
43976,CO-ADD:0136979,3.14,c1cc(cc(Sc(cc(N(C)C)cc2)c2N3C(c4ccccc4)=O)c13)N(C)C,0.0
43977,CO-ADD:0136820,3.14,n1ccc(Nc(ccc2NC(=O)c(ccc([N+](=O)[O-])c3)c3)cc2)cc1,0.0
43978,CO-ADD:0136107,3.14,C1=NC(N2C=C1)=NC(=NC2=O)Oc3ccccc3,0.0
43979,CO-ADD:0136696,3.14,n1(c(c(cccc2)c2)ccc1c(cccc3)c3)c(ccc4)c(O)c4,0.0
43980,CO-ADD:0136784,3.14,FC(F)(c(sc(NC(c1c(F)cccc1F)=O)n2)n2)F,0.0
43981,CO-ADD:0136736,3.14,Clc(c(ccc1NC(=O)c2ccc(c(c2)Cl)Cl)Cl)c1,0.0
43982,CO-ADD:0136848,3.14,Clc(c(c1c2)nc(Oc3ccc(c(c3)Cl)Cl)s1)cc2,0.0
43983,CO-ADD:0136856,3.14,n1ccc(C2N(C(=O)C(C#N)=C(Nc3ccccc3Cl)S2)[H])cc1,0.0
43984,CO-ADD:0136904,3.14,c12c([nH]c3c1ccc(OC)c3)[C@@]([H])(C[C@]([H])([C@H](CO)[C@@H](OC)[C@H](O)C4)[C@@]4([H])C5)N5CC2,0.0
43985,CO-ADD:0136984,3.14,O(c1ccccc1)c(ccc2)c(C(c(ccc3)c4c3Oc(ccc5)cc5)=O)c2C4=O,0.0
43986,CO-ADD:0136159,3.14,Oc1c(n2nccc2)cc(O)c(n3nccc3)c1,0.0
43987,CO-ADD:0136191,3.14,N#CN=CN1CCC(c2ccc(Cl)cc2)=CC1,0.0
43988,CO-ADD:0136223,3.14,O=C1c2c(cccc2)C(=O)N1S(N(C)C)(=O)=O,0.0
43989,CO-ADD:0136319,3.14,O=C(C(=C/c1ccc(cccc2)c2c1)C(N([H])C3=O)=O)N3[H],0.0
43990,CO-ADD:0136335,3.14,N1(CCCNC(Nc2c3c(cccc3)ccc2)=O)CC1,0.0
43991,CO-ADD:0136287,3.14,O(C(C=C1)C(C(=O)N2Nc(cccc3)c3)C4C2=O)C14,0.0
43992,CO-ADD:0136152,3.14,c1c(sc2c3[nH]c(cccc4)c24)c3ccc1,0.0
43993,CO-ADD:0136088,3.14,C1(SSC(N)=C1C(=O)OCC)=S,0.0
43994,CO-ADD:0136073,3.14,c1c(NC(NCCCC)=O)c(CC)ccc1,0.0
43995,CO-ADD:0136081,3.14,n1c(c(nc2C(F)(F)F)nc(C)c1C)n2[H],0.0
43996,CO-ADD:0136337,3.14,n1c(C(NN)=O)c(N=NN(C)C(CCCC2)C2)n([H])c1,0.0
43997,CO-ADD:0136677,3.14,O=C(c1c(ccc(OC)c1)N2[H])C3C2(C(N([H])C(=O)N3[H])=O)Br,0.0
43998,CO-ADD:0136938,3.14,O=C1C(C(OC)=O)(CCC(OCC)=O)C(C(OC)=O)=CCCCCC1,0.0
43999,CO-ADD:0136930,3.14,N1(Cc(cccc2)c2)C(C(C#N)=CC3C1)C(C(=O)N4c(cccc5)c5)C3C4=O,0.0
44000,CO-ADD:0137123,3.14,n1c(cc([N+](=O)[O-])cc2)c2c(Nc(ccc3NS(CCCNC(=N)N)(=O)=O)cc3)c4c1cccc4.Cl.Cl,0.0
44001,CO-ADD:0136043,3.14,N1=C(N)N([H])c(c(C1=S)n2)n(C(CCC3)C3)c2,0.0
44002,CO-ADD:0136004,3.14,c1c2c(ccc1)C(C)=C(C(N)=O)S2(=O)=O,0.0
44003,CO-ADD:0136261,3.14,O=[As](O)(c(ccc(O)c1)c1)c(cccc2)c2,0.0
44004,CO-ADD:0136277,3.14,n1c(SC)nc(c(c1C)Br)N2CC2,0.0
44005,CO-ADD:0136062,3.14,C(/c1cccnc1)=CC(=O)C=Cc2cnccc2,0.0
44006,CO-ADD:0136158,3.14,[nH]1c(C=C(C(c2ccccc2)=O)/C#N)ccc1,0.0
44007,CO-ADD:0136366,3.14,O1CCN(c(cc(C)nc2N3CCOCC3)n2)CC1,0.0
44008,CO-ADD:0136055,3.14,n1nnc(c(ccc2c3n(nnn3)[H])cc2)n1[H],0.0
44009,CO-ADD:0136521,3.14,Clc1c(c(Cl)c(n(nn2)[H])c2c1Cl)Cl,0.0
44010,CO-ADD:0135859,3.14,O=[As](O)(O)c(c(C(O)=O)ccc1)c1,0.0
44011,CO-ADD:0136539,3.14,FC(c1cc(NC(CC(N)=NO)=O)c(Cl)cc1)(F)F,0.0
44012,CO-ADD:0137103,3.14,O(CC)C(Cn1c(C)c2c(OC(=O)C(CCN3CCN(c4c(OC)cccc4)CC3)=C2C)n1)=O,0.0
44013,CO-ADD:0135647,3.14,n1ccc(c(O)ccc2)c2c1,0.0
44014,CO-ADD:0137040,3.14,Clc(ccc(c1)C(c2ccccn2)=C(/CCN3C)CC3)c1.C(=C/C(O)=O)/C(O)=O,0.0
44015,CO-ADD:0137056,3.14,Clc(c(ccc1C2(O)C(NC(C)C)C(CC3)CCC23)Cl)c1.CS(O)(=O)=O,0.0
44016,CO-ADD:0135788,3.14,C1=CN([H])C(=O)C(OC(NCC)=O)=C1,0.0
44017,CO-ADD:0135935,3.14,n1c(c(ccc1)c([N+](=O)[O-])cc2[N+](=O)[O-])c2O,0.0
44018,CO-ADD:0136910,3.14,Clc(ccc1)c(OCC(CN2CCN(CC2)c(cc(C)cc3)c3)O)c1,0.0
44019,CO-ADD:0136743,3.13,C1(C)(C)C(CCC(CNC(CSS(O)(=O)=O)=N)C12)C2,0.0
44020,CO-ADD:0137033,3.13,c1(OC)c(OC)cc(c2c3c(c(O)cc2C(O)=O)cc(OC)c(OC)c3)cc1OC,0.0
44021,CO-ADD:0137065,3.13,c1c2c(oc(C(=O)c(sc(Nc(cccc3C)c3)c4C#N)c4N)c2)ccc1Cl,0.0
44022,CO-ADD:0137073,3.13,Clc(cc1c(c2c(C(=CNc3ccc(OC)cc3)C(=O)CC2)o1)c4Cl)c4O,0.0
44023,CO-ADD:0137161,3.13,c1(N2C(=O)C3(CCCC3)CC2=O)ccc(c4ccc(N5C(=O)CC6(CCCC6)C5=O)c(C)c4)cc1C,0.0
44024,CO-ADD:0136300,3.13,O=C1N([H])c(c(c(C(OCC)=O)n2)C(=O)N1C)n2C,0.0
44025,CO-ADD:0136324,3.13,N1=CN([H])c(c(C1=S)n2)n(C(CCCC3CO)O3)c2,0.0
44026,CO-ADD:0136260,3.13,c1c(C(=O)Nc(c([N+](=O)[O-])ccc2)c2)c(C(O)=O)ccc1,0.0
44027,CO-ADD:0136340,3.13,O1C(OC)C(O)CC(NC(C(F)(F)F)=O)C1O,0.0
44028,CO-ADD:0136077,3.13,O=S1c(cccc2)c2c(ccc3[N+](=O)[O-])c1c3,0.0
44029,CO-ADD:0136213,3.13,N1(C(NC(C(CC=C)CC)=O)=O)CCCc(ccc2)c1c2,0.0
44030,CO-ADD:0135685,3.13,[H]N1C(SCC)=NC(C=C1C)=S,0.0
44031,CO-ADD:0135717,3.13,n1([H])c(CS)nc(cc(C)c2C)c1c2,0.0
44032,CO-ADD:0137094,3.13,N1=C(N)N(C(C)(C)N=C1N)c(cc(CN)cc2)c2.C(S(O)(=O)=O)C.C(S(O)(=O)=O)C,0.0
44033,CO-ADD:0137110,3.13,Clc(ccc1)c(NC(Nc(ccc(c2)Oc(ccc(NC(Nc(c(ccc3)Cl)c3)=O)c4)c4)c2)=O)c1,0.0
44034,CO-ADD:0137118,3.13,c1c(OC)c(c(cc(OC)c(c(O)ccc2C(C(O)C(C)(O)C3O)OC3C)c24)c4OC5=O)c5cc1C=C,0.0
44035,CO-ADD:0137078,3.13,c1(O)c(O)c(O)cc(C2=C(C(=O)c(c(O)cc3O)c(O2)c3)OC(C(O)C(O)C(O)C4C)O4)c1,0.0
44036,CO-ADD:0137158,3.13,[H]N1CCN=C1c(ccc2NC(=O)c(ccc3C(Nc(ccc(C(N([H])CC4)=N4)c5)c5)=O)c(c3)Cl)cc2,0.0
44037,CO-ADD:0135598,3.13,C(C)(C)(c1ccccc1)C(N)=O,0.0
44038,CO-ADD:0136965,3.13,n1cc(S(N2CCN(C)CC2)(=O)=O)c(N3CCN(CC=C)CC3)cc1,0.0
44039,CO-ADD:0135904,3.13,O1C(C(NCC=C)=O)COc(ccc2)c1c2,0.0
44040,CO-ADD:0135833,3.13,c1ccc(C(Nc2c3c(cccc3)ccc2)=O)cc1,0.0
44041,CO-ADD:0135841,3.13,n1([H])c(cc([N+](=O)[O-])cc2)c2c(c(CC)cc3)c1c3,0.0
44042,CO-ADD:0135857,3.13,c1c(NC(=O)Nc(ccc(N)c2)c2)ccc(N)c1,0.0
44043,CO-ADD:0243634,3.13,c(OCO1)(c1c2OC)cc(\C=C(/Br)\Br)c2OC,0.0
44044,CO-ADD:0243146,3.13,c(CC(C1)ON=C1C(N)=O)(c2OC)c(Br)c(c3c2OCO3)OC,0.0
44045,CO-ADD:0243170,3.13,c1(c(Br)c(OC)c(c2c1Br)OCO2)C3C(C)C(=NO3)CO,0.0
44046,CO-ADD:0243497,3.13,c(c(c(O)c(OC)c(OCO1)c12)c2OC)(c3OC)c(O)c(OC)c4c3OCO4,0.0
44047,CO-ADD:0243817,3.13,c1(c(OCO1)c(OC)cc2C)c2,0.0
44048,CO-ADD:0243290,3.13,c1(c(OC)c2c(OCO2)c(OC)c1Br)C(ON=C3C(NN)=O)C3C,0.0
44050,CO-ADD:0243807,3.13,c1noc(c(cc(OC)c2c3OCO2)c3)c1c(ccc(OC)c4)c4,0.0
44052,CO-ADD:0243344,3.13,c1(c(ns2)c3ccc(cc3)Cl)c2C(CC(=O)N1)c(cc(OC)c(c45)OCO4)c5OC,0.0
44053,CO-ADD:0243744,3.13,C(=C\c(c1)cc(OCO2)c2c1OC)/C(\C=C\c(cc3OC)cc4c3OCO4)=O,0.0
44054,CO-ADD:0243533,3.13,C1(N2CC(OC)=O)=C(C(CC(=O)N1c3cccc(OC)c3)c(cc(c(OCO4)c45)OC)c5OC)SC2=O,0.0
44055,CO-ADD:0236955,3.13,O=C(/C(CN(C(OC(C)(C)C)=O)C/1)=C/C2=COC=C2)C1=CC3=COC=C3,0.0
44056,CO-ADD:0243300,3.13,C(c1ccccc1)(=O)\C=C\c(cc2c3OCO2)cc3OC,0.0
44057,CO-ADD:0243492,3.13,COc(c(c(c1O2)OC2)OC)c(c(c(c(c(c(C3)c4)CC3)n5)c4)c(c5C6)C(O6)=O)c1,0.0
44058,CO-ADD:0243828,3.13,C(OC)(=CC1(C2)C(c(cc3c4OCO3)cc4OC)=NC2C)C(=O)C(O)=C1OC,0.0
44059,CO-ADD:0243556,3.13,c(N1)(nc2)c(C(CC1=O)c(cc3OC)cc4c3OCO4)n2c5ccc(cc5)F,0.0
44060,CO-ADD:0243279,3.12,c12c(OCO1)c(OC)cc(C=O)c2,0.0
44061,CO-ADD:0243287,3.12,c(CC(C1)ON=C1C(OCC)=O)(c(OC)c(c23)OCO2)c(Br)c3OC,0.0
44062,CO-ADD:0243567,3.12,c(OCO1)(c(OC)cc2c(nc(CCC(=O)O)o3)n3)c1c2,0.0
44063,CO-ADD:0243753,3.12,n(cc1)ccc1CN(C(=O)C(O)=C2C(=O)c3sccc3)C2c4c(OC)c(OCO5)c5c(OC)c4,0.0
44065,CO-ADD:0243265,3.12,c1(OC(N)=C(C2c(cc(c3c4OCO3)OC)c4)C#N)c2c([nH]n1)CCC,0.0
44066,CO-ADD:0236947,3.12,O=C(C1=CC=C(OC)C=C1CC/2)C2=CC3=CC=CN=C3Br,0.0
44067,CO-ADD:0243679,3.12,C1(SC(C)=NC(N(C2CCCCCC2)NC3=O)=C13)c4c(c(OCO5)c5c(c4)OC)OC,0.0
44068,CO-ADD:0243490,3.12,COc1c(c(c(c(c(c(c(c(c(C2)c3)CC2)n4)c3)c(c4C5)C(O5)=O)c1)OC)OC6)O6,0.0
44069,CO-ADD:0243826,3.12,c(c1OC)(C(c2ccc3c(OCO3)c2)=NC(C)C4)c4cc5c1OCO5.Cl,0.0
44070,CO-ADD:0243445,3.12,c(c1[N+](=O)[O-])c(OC)c(OCO2)c2c1,0.0
44071,CO-ADD:0243084,3.12,c(\C=N\NC(=S)N)(c1OC)c(CCC)c(OC)c(OCO2)c12,0.0
44073,CO-ADD:0243771,3.12,c(cc1CN(C(=O)C(O)=C2C(=O)c3cc4c(OCCO4)cc3)C2c5cc(OCO6)c6c(OC)c5)(OC7)c(cc1)O7,0.0
44074,CO-ADD:0243787,3.12,c(cc1)(OC(=O)C(C(c(cc2c(OCO2)c3OC)c3)C(C(=O)Nc(ccc(Cl)c4)c4)O5)=C56)c6cc1,0.0
44075,CO-ADD:0243629,3.12,c(c(n(ccc1)c1)c(C(=O)N\N=C\c(cc(OC)c(OC2)c3O2)c3)s4)(c5COC)c4nc(C)c5,0.0
44076,CO-ADD:0243005,3.12,C(C(O)=O)(C1C)=NOC1c(cc(OC)c(c23)OCO2)c3OC,0.0
44078,CO-ADD:0244018,3.12,C1C[C@](C)(C(C(=O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(=O)CCCCCO[N+]([O-])=O,0.0
44079,CO-ADD:0243468,3.12,c(C1c2cc(OC)c3c(OCO3)c2OC)(n(c4)c5ccc(cc5)F)c(NC(C1)=O)c4C(O)=O,0.0
44080,CO-ADD:0243220,3.12,c1(c(OCO1)c2\C=N\NC(N)=O)c(OC)c(c2CC(CC(=N3)c4ccc(cc4)F)O3)OC,0.0
44081,CO-ADD:0243444,3.12,c(OC1)(c(OC)c(C(C)=O)c2)c(O1)c2OC,0.0
44082,CO-ADD:0243414,3.12,c(OC1)(c(OC)c([N+](=O)[O-])c2C#N)c(O1)c2OC,0.0
44083,CO-ADD:0243175,3.12,c1(c2OC)c(OCO1)c(c(\C=N\NC(Cc3ccccc3)=O)c2CC(C4)ON=C4C(OCC)=O)OC,0.0
44084,CO-ADD:0243371,3.12,c1(\C=N\NC(=O)c2ccccc2[N+](=O)[O-])c(c(c(c(OC3)c1OC)O3)OC)CC(Cl)C,0.0
44085,CO-ADD:0243259,3.12,c12c(OCO1)c(OC)cc(C\C(=N\O)\C)c2OC.Cl,0.0
44086,CO-ADD:0243715,3.12,N(CCO1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3cc(OCO4)c4cc3)C2c(cc(OC)c5c6OCO5)c6OC,0.0
44087,CO-ADD:0243739,3.12,c1c(C)nc2c(c(N3)c(C(=O)NC3c(c(OC)c(OCO4)c45)cc5OC)s2)c1COC,0.0
44088,CO-ADD:0243395,3.12,COc1c(c(c(c(c(c(c(n2)c3)cc(c3O4)OC4)c(c2C5)C(O5)=O)c1)OC)OC)OC,0.0
44089,CO-ADD:0243392,3.12,c(OC)(cc1\C=C\c2ccc(OC)c(O)c2)c(OCO3)c3c1OC,0.0
44090,CO-ADD:0244020,3.12,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(CCC(=O)O)=O,0.0
44091,CO-ADD:0236953,3.12,OC(C1=CC(OC)=CC=C1CC/2)C2=CC3=CC=CN=C3Cl,0.0
44092,CO-ADD:0240093,3.12,C=C1[C@]([C@]([H])(C2=CC=CC=C2)NC3=CC=C(Br)C=C3)([H])CC(COC)(COC)C1,0.0
44093,CO-ADD:0243608,3.12,c(N1)(nc2)c(C(c(cc3c4OCO3)cc4OC)CC1=O)n2c5cccc(OC)c5,0.0
44094,CO-ADD:0243088,3.12,c(\C=N/NC(C(=CC1=O)N=C2N1C=CS2)=O)(c3OC)c(CC4CC(C(OCC)=O)=NO4)c(OC)c(OCO5)c35,0.0
44095,CO-ADD:0243374,3.12,c(OC)(cc1CCC(=O)O)c(OC2)c(O2)c1OC,0.0
44097,CO-ADD:0243590,3.12,c(CCN)(cc1c2OCO1)cc2OC.Cl,0.0
44098,CO-ADD:0243910,3.11,C(C(NC=C1C(OCC)=O)=O)(C(CC(NCCc(cc2)ccc2OC)=O)c3c(OC)c4c(OCO4)c(OC)c3)=C1O,0.0
44099,CO-ADD:0243934,3.11,c(cccc1)(c12)OC(=O)C(C(c(cc(OCO3)c34)cc4OC)CC(=O)NCCc(cc5)ccc5O)=C2O,0.0
44100,CO-ADD:0243072,3.11,c(OC)(c(OC)c1\C=C\C)c(OC2)c(O2)c1,0.0
44101,CO-ADD:0243937,3.11,c(cccc1)(c12)OC(=O)C(C(c(cc(OCO3)c34)cc4OC)CC(=O)NCCc(cc5)ccc5F)=C2O,0.0
44102,CO-ADD:0243118,3.11,c1(c2OC)c(OCO1)c(c(\C=N\NC(=O)c3ccccc3O)c2CC(CC(=N4)c5ccc(cc5)F)O4)OC,0.0
44103,CO-ADD:0243171,3.11,c1(OC)c(OC)c(CC(CC(=N2)c3ccc(cc3)Cl)O2)cc(OCO4)c14,0.0
44104,CO-ADD:0243620,3.11,c(OC)(cc1\C=C(/Br)\Br)c(OCO2)c2c1OC,0.0
44105,CO-ADD:0243028,3.11,c1(c(OC)c(c(OCO2)c2c1Br)OC)C(ON=C3C(O)=O)C3C,0.0
44106,CO-ADD:0243586,3.11,CC(C)(C)n(nc1)c2c1C(C3C(=N2)NC(N3c4cccc(OC)c4)=O)c(c(c(c5c6OCO5)OC)OC)c6,0.0
44107,CO-ADD:0220743,3.11,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2cc(I)ccc2O)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
44108,CO-ADD:0221964,3.11,C(=C\c(ccc1c2Cc(c13)cccc3)c2)(/c4c5ccc(c4)[N+](=O)[O-])\c(cc(cc6[N+](=O)[O-])[N+](=O)[O-])c56,0.0
44109,CO-ADD:0220565,3.11,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(CNc3ccccc3C)=O)o1,0.0
44110,CO-ADD:0219562,3.11,C(=O)(Nc(cccn1)c1)C\C(\C)=N\NC(C)=O,0.0
44111,CO-ADD:0222837,3.11,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)N2CCCC2,0.0
44112,CO-ADD:0222541,3.11,c1(cc(C)ccc1O)\C=N\c(ccc(c2Cl)OC)c2,0.0
44113,CO-ADD:0220181,3.11,N(\C(=C/c(cc(I)cc1I)c1OC)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])Cl)c3,0.0
44114,CO-ADD:0220235,3.11,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c(ccc(c4OC)OC)c4,0.0
44115,CO-ADD:0222503,3.11,n1c(ccc(c2)\N=C\c3cccc(I)c3O)c2oc1c4ccccc4,0.0
44116,CO-ADD:0220428,3.11,N1(CNc2ccccc2OC)C(=O)\C(\SC1=S)=C\c(cccc3[N+](=O)[O-])c3,0.0
44117,CO-ADD:0220438,3.11,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3c(C(C)C)cc(c(C)c3Br)Br)=O,0.0
44118,CO-ADD:0220767,3.11,c1(O)c(OC)cc(cc1OC)\C=N\NC(CNc2ccccc2C)=O,0.0
44119,CO-ADD:0220399,3.11,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
44120,CO-ADD:0220407,3.11,c1(NCC(=O)N\N=C\c(cc2)ccc2OCC)c(Br)cc(cc1Br)Br,0.0
44121,CO-ADD:0220725,3.11,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(cccc2[N+](=O)[O-])c2O)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
44122,CO-ADD:0220446,3.11,c1(Br)ccc(\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)o1,0.0
44123,CO-ADD:0220825,3.11,c(Nc1ccccc1)(nc(N\N=C\c(c(OC)ccc2[N+](=O)[O-])c2)nc3Nc(cc4)ccc4OC)n3,0.0
44124,CO-ADD:0222458,3.11,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)C=O,0.0
44125,CO-ADD:0222441,3.11,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3,0.0
44126,CO-ADD:0220679,3.11,c1(N(CC2)CCO2)nc(N\N=C\c3ccc(cc3O)O)nc(Nc(cc4)ccc4C)n1,0.0
44127,CO-ADD:0220722,3.11,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2cc(Cl)ccc2O)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
44128,CO-ADD:0234211,3.11,c1(c(Br)cc(cc1\C=N\NC(=O)c(c2)cc(cn2)Br)Br)OC(=O)c(ccc(c34)OCO3)c4,0.0
44129,CO-ADD:0231039,3.11,C(c1ccccc1)(=O)Oc2ccc(cc2C=O)Cc(ccc(c3C=O)OC(c4ccccc4)=O)c3,0.0
44130,CO-ADD:0231019,3.11,S(=O)(=O)(c1ccc(cc1)I)NC(CC(C)C)C(=O)N\N=C(/C)\CC,0.0
44131,CO-ADD:0236820,3.11,C(C#N)(C1c2ccc(cc2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
44132,CO-ADD:0236807,3.11,C1(=C(O)CC(C)(C)CC1=O)C(c2ccc(c(O)c2)OC)C3C(=O)CC(CC3=O)(C)C,0.0
44133,CO-ADD:0236764,3.11,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc2)ccc2Br)c3ccc(cc3OC)OC,0.0
44134,CO-ADD:0231751,3.11,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(cc4)ccc4Cl,0.0
44135,CO-ADD:0229516,3.11,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3cccc(c3)N\C=C(\C(C)=NN4c5cccc(Cl)c5)/C4=O,0.0
44136,CO-ADD:0231048,3.11,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)OCc(cc2)ccc2Cl)c1,0.0
44137,CO-ADD:0231277,3.11,C(=O)(N\N=C(/C)\CC(=O)NC1C(C2)CC(CC2C3)CC13)C(=O)Nc(cc4)ccc4CC,0.0
44138,CO-ADD:0233586,3.11,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3Cl)c4cc(Cl)ccc4Cl,0.0
44139,CO-ADD:0234068,3.11,s1c(N)nnc1c(cccc2[N+](=O)[O-])c2,0.0
44140,CO-ADD:0237026,3.11,OCC(C)(C)[C@@H](O)C(NCCC(NCCC1=CC=CC=C1)=S)=O,0.0
44141,CO-ADD:0233708,3.1,c1([nH]nc(C(CC2)CCN2C(CCCCN)=O)c1)C(F)(F)F.Cl,0.0
44142,CO-ADD:0227825,3.1,c1(nonc1N)\C(=N\OCC(OCC)=O)\Nc(cc2)ccc2C,0.0
44143,CO-ADD:0234286,3.1,c(\C=N\NC(CNC(=O)c1ccc(cc1)Cl)=O)(c(C)c(Br)c(c2C)O)c2O,0.0
44144,CO-ADD:0234081,3.1,[N+](=O)([O-])c(cccc1C(NN)=O)c1.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
44145,CO-ADD:0233333,3.1,N1(C)C(=O)CC(C)(c2ccc(cc2)OCCCC)C1=O,0.0
44146,CO-ADD:0233373,3.1,N1(CNc(cc2)ccc2OC)C(=O)c3c(cccc3)C1=O,0.0
44147,CO-ADD:0236116,3.1,C1(O)(N(C)c2ccccc2)C(=O)c(c3C1=O)cccc3,0.0
44148,CO-ADD:0227244,3.1,c1(NCC(=O)N\N=C\c2ccccc2O)c(Br)cc(cc1Br)Br,0.0
44149,CO-ADD:0231332,3.1,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(ccc(c2OCC)OCCC)c2,0.0
44150,CO-ADD:0229706,3.1,N(=C(/C)\c1ccccc1)/NC(CNc2ccccc2OC)=O,0.0
44151,CO-ADD:0227197,3.1,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccc2Br,0.0
44152,CO-ADD:0227226,3.1,N(=C(\C)/c1ccccc1)/NC(CNc2c(Br)cc(c(Br)c2)Br)=O,0.0
44153,CO-ADD:0229593,3.1,n1c2c(CCCC2)cc(C#N)c1SCC(=O)c3ccc(cc3)Cl,0.0
44154,CO-ADD:0222823,3.1,S(=O)(=O)(c1ccc(cc1)C)N(C)CC(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
44155,CO-ADD:0219302,3.1,C(=O)(CC(=O)N\N=C\c1ccc(cc1O)O)Nc2ccccc2Cl,0.0
44156,CO-ADD:0221857,3.1,C(OCCSC)(COc(cc1)ccc1C=O)=O,0.0
44157,CO-ADD:0218977,3.1,c1(ccccc1I)C(NCCOc2ccccc2OC)=O,0.0
44158,CO-ADD:0219704,3.1,C(N)(=O)N\N=C\c(cc1)ccc1OCc(cc2)ccc2Br,0.0
44159,CO-ADD:0222500,3.1,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)ccc2C,0.0
44160,CO-ADD:0222429,3.1,c(Nc1ccccc1)(nc(N\N=C\c(ccc(c2OC)OC)c2)nc3Nc4ccccc4)n3,0.0
44161,CO-ADD:0222421,3.1,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)C(O)c2ccccc2)c3ccccc3Br,0.0
44162,CO-ADD:0219285,3.1,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c4ccccc4C,0.0
44163,CO-ADD:0220013,3.1,S(c1ccccc1)(CCc(cc2)ccn2)(=O)=O,0.0
44164,CO-ADD:0220046,3.1,c1(cc(ccc1OCC(O)=O)CC(C)(C)C)CC(C)(C)C,0.0
44165,CO-ADD:0222305,3.1,c(cc(Cl)cc1Cl)(\C=N\c(cc2)ccc2C(N)=O)c1O,0.0
44166,CO-ADD:0220341,3.1,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(CNc(cc3)ccc3C)=O,0.0
44167,CO-ADD:0219150,3.1,N#CCC(=O)N\N=C/c1ccccc1OCc(cc2)ccc2Cl,0.0
44168,CO-ADD:0218938,3.1,c1(cccc(C)c1O)C(=O)N\N=C(/C)\CC(=O)NC(C)CC,0.0
44169,CO-ADD:0219723,3.1,C(c1ccccc1)(=O)Nc(cccc2\C(\C)=N/NC(CSCc(cc3)ccc3Cl)=O)c2,0.0
44170,CO-ADD:0222359,3.1,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c(cc2)ccc2NC(C)=O,0.0
44171,CO-ADD:0222603,3.1,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1NC(C)=O)C(NCCO)=O,0.0
44172,CO-ADD:0222149,3.1,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(CNc(ccc(c23)cccc2)c3)=O,0.0
44173,CO-ADD:0219303,3.1,N(=C(/C)\c1ccccc1)/NC(CCCC(=O)Nc(cc2)ccc2I)=O,0.0
44174,CO-ADD:0220744,3.1,S(=O)(=O)(c1ccc(cc1)\N=C\c2cc(Br)ccc2O)c3ccc(cc3)\N=C\c(ccc(c4C)OC)c4,0.0
44175,CO-ADD:0220116,3.1,N(C(C)=O)(CN(C(C)=O)CN1C(C)=O)C1,0.0
44176,CO-ADD:0231442,3.1,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3Cl)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])OC,0.0
44177,CO-ADD:0233087,3.1,C(c(cc1)ccn1)(=O)N\N=C\c2ccccc2,0.0
44178,CO-ADD:0229476,3.1,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3c(Cl)cc(cc3Cl)Cl,0.0
44179,CO-ADD:0234818,3.1,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccccc2C#N)=O)c3cccc(F)c3,0.0
44180,CO-ADD:0236629,3.1,C(C#N)(=C(S)NC(=C1C#N)N)C1(CC2)CCN2C(C)C,0.0
44181,CO-ADD:0231738,3.1,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(cc(OCO4)c4c5)c5Br,0.0
44182,CO-ADD:0233515,3.1,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(cc2)ccc2OC(c3ccccc3)=O,0.0
44183,CO-ADD:0236795,3.1,N1(c2ccc(cc2)I)C(=O)c(c3C1=O)cc(c(Cl)c3)Cl,0.0
44184,CO-ADD:0231435,3.1,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(ccc4c5ccc(cc5)I)o4,0.0
44185,CO-ADD:0236557,3.1,C1(C2c3ccc(cc3F)F)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
44186,CO-ADD:0231150,3.1,C(=O)(Nc1ccc(cc1OC)OC)c2ccccc2Br,0.0
44187,CO-ADD:0229814,3.1,C12(CC(CC3C1)CC(C3)C2)C(=O)O\N=C(\C4)/c5c(CC4)ccc(OC)c5,0.0
44188,CO-ADD:0227675,3.1,n1(c2)c(c(cn2)CCC3)c3c4c1ccc(c4)C(C)C,0.0
44189,CO-ADD:0229020,3.1,C(c1ccccc1)(=O)NC(Cc2ccccc2)C(OCCCCCC)=O,0.0
44190,CO-ADD:0236514,3.1,C1(=O)NC(C)(C)C=C(\C=C\c2ccccc2)N1,0.0
44191,CO-ADD:0233369,3.1,C1(OC(C)=O)C(Oc2ccc(cc2OC3OC(COC(C)=O)C(C(OC(C)=O)C3OC(C)=O)OC(C)=O)C(O)=O)OC(C(OC(C)=O)C1OC(C)=O)COC(C)=O,0.0
44192,CO-ADD:0231619,3.1,c1(Nc2ccccc2)nc(N\N=C(/C)\c3ccc(cc3)Br)nc(NCc4ccccc4)n1,0.0
44193,CO-ADD:0236862,3.09,N1(CNc(cc2)ccc2C)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
44194,CO-ADD:0236045,3.09,[nH]1c(C)nnc1SCC(=O)Nc2ncccn2,0.0
44195,CO-ADD:0236122,3.09,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3ccccc3F)c4nonc4N,0.0
44196,CO-ADD:0233164,3.09,N1(CCCC(=O)Nc(cc2)ccc2Cl)C(=O)c(c3C1=O)cccc3,0.0
44197,CO-ADD:0234687,3.09,c1(c(Br)cc(cc1\C=N\NC(COc(ccc(c2C)C)c2)=O)Br)OC(c3ccccc3)=O,0.0
44198,CO-ADD:0229746,3.09,N1(c2ccccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C(O)=O,0.0
44199,CO-ADD:0227286,3.09,N(/NC(=O)Cc1ccc(c(cccc2)c12)Br)=C(/C)\c3ccc(c4c3)cccc4,0.0
44200,CO-ADD:0228011,3.09,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C\c(cc2)ccc2OC(c3ccccc3)=O,0.0
44201,CO-ADD:0227559,3.09,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3cccc(C)c3)=O,0.0
44202,CO-ADD:0231768,3.09,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2[N+](=O)[O-])=O)N(CC3)CCO3)c1,0.0
44203,CO-ADD:0227186,3.09,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\c3cc(ccc3O)Cc(ccc(c4\N=C\c(ccc5c(ccc(c6Cl)Cl)c6)o5)O)c4)o1,0.0
44204,CO-ADD:0229561,3.09,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(N)c3)n1,0.0
44205,CO-ADD:0226933,3.09,C1(=N2)N(c3c(cccc3)N=C1Sc4cccc(OC)c4)C(N2CC(=O)Nc5cccc(F)c5)=O,0.0
44206,CO-ADD:0226892,3.09,c12n(c3c(cccc3)nc1SCC(=O)Nc(ccc(c4Cl)OC)c4)c(nn2)CC,0.0
44207,CO-ADD:0226257,3.09,S(=O)(=O)(N(Cc1cccc(OC)c1)c2cccc(F)c2)c(ccc3n4c(C)nn3)c4,0.0
44208,CO-ADD:0225358,3.09,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc(ccc(c5F)C)c5,0.0
44209,CO-ADD:0226943,3.09,C1(=N2)N(c3c(cccc3)N=C1N(CC4)CCO4)C(N2CC(=O)Nc5c(C)ccc(Cl)c5)=O,0.0
44210,CO-ADD:0220786,3.09,C(CNc1ccccc1C)(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
44211,CO-ADD:0222515,3.09,N(/c1cccc(Cl)c1Cl)=C\c2ccccc2O,0.0
44212,CO-ADD:0222615,3.09,S(=O)(=O)(C1c2ccc(cc2)Cl)\C(=C\c(cc3)ccc3Cl)\C(N1c4ccc(cc4)OC)=O,0.0
44213,CO-ADD:0222491,3.09,c(cc(Br)cc1Br)(\C=N\c2cccc(Cl)c2Cl)c1O,0.0
44214,CO-ADD:0220741,3.09,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(cccc2[N+](=O)[O-])c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
44215,CO-ADD:0220562,3.09,c1(c(Br)cc(cc1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)Br)OC(=O)c3cccc(C)c3,0.0
44216,CO-ADD:0219426,3.09,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)c3ccc(cc3)OC,0.0
44217,CO-ADD:0221819,3.09,S(CCCCCCCCCC)(=O)(=O)N\N=C\c(cc1)ccc1OC,0.0
44218,CO-ADD:0222746,3.09,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(CNc3cccc(C)c3)=O)[N+](=O)[O-],0.0
44219,CO-ADD:0222228,3.09,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(CNc(ccc(c34)cccc3)c4)=O,0.0
44220,CO-ADD:0219805,3.09,c1(Cl)c(Cl)ccc(c1)\N=C\c(cc2)ccc2OCc(cc3)ccc3Br,0.0
44221,CO-ADD:0220225,3.09,N(c1ccccc1Cl)C(=O)\C=C\c2ccco2,0.0
44222,CO-ADD:0218903,3.09,N(=C(/C)\c1ccc(cc1C)C)/NC(=O)c2ccc(cc2)Cl,0.0
44223,CO-ADD:0219602,3.09,c1(\C=N\NC(CCC(=O)Nc2ccc(cc2C)I)=O)cc(OC)ccc1OC,0.0
44224,CO-ADD:0219525,3.09,C(=O)(N\N=C\c(ccc(c1OCC)OCCC)c1)C(=O)N2CCCCC2,0.0
44225,CO-ADD:0222723,3.09,N1(CNc2ccccc2F)C(=O)\C(\SC1=O)=C/c(cc3OC)cc(c3OC)OC,0.0
44226,CO-ADD:0220331,3.09,N(=C(/C)\c1ccc(cc1)Br)/NC(CNc2ccccc2C)=O,0.0
44227,CO-ADD:0220498,3.09,c1(cc(ccc1N2CCCC2)\C=N\NC(COc(cc3)ccc3CC)=O)[N+](=O)[O-],0.0
44228,CO-ADD:0220785,3.09,c1(\C=N\NC(CNc2ccccc2C)=O)cc(Br)cc(C)c1O,0.0
44229,CO-ADD:0222087,3.09,C12C3C=CC(C(C(O)=O)C3C(=O)Nc4cccc(Cl)c4)C1C2,0.0
44230,CO-ADD:0220454,3.09,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c(cc2)ccc2N(CC)CC)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
44231,CO-ADD:0222054,3.09,C1(C(OCCSc2ccccc2)=O)=C(C)NC(NC1c3ccccc3OC)=O,0.0
44232,CO-ADD:0219304,3.09,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3Cl)nc(Nc4ccccc4)n1,0.0
44233,CO-ADD:0220380,3.09,c1(O)c(I)cc(cc1I)\C=N\NC(CNc2cccc(C)c2)=O,0.0
44234,CO-ADD:0222611,3.09,S(=O)(=O)(N(CC)CC)c(cc1)ccc1c2csc(Nc(cc3)ccc3Br)n2.Br,0.0
44235,CO-ADD:0222309,3.09,c(cc(Cl)cc1Cl)(\C=N\c(cc2)ccc2C(OCCCC)=O)c1O,0.0
44236,CO-ADD:0222682,3.09,C(=C/c(cc1)ccc1N(CC)CC)(/C2=O)\C(=O)NC(=O)N2,0.0
44237,CO-ADD:0221992,3.09,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C(/C)\c(ccc(c23)OCCO2)c3,0.0
44238,CO-ADD:0232861,3.08,N(=C1C)C(=N)C(=CN1CC(=O)c2ccc(cc2)Br)COCC.Br,0.0
44239,CO-ADD:0230915,3.08,C1(C(=O)Nc(cc2)ccc2N=Nc3ccccc3)CC1c4ccccc4,0.0
44240,CO-ADD:0231026,3.08,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2OCC)N(CC(C)C)CC(C)C,0.0
44241,CO-ADD:0236794,3.08,N1(c2ccccc2OC)C(=O)c3c(cc(c(Cl)c3)Cl)C1=O,0.0
44242,CO-ADD:0231569,3.08,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c4ccccc4[N+](=O)[O-],0.0
44243,CO-ADD:0236810,3.08,c12c(cccc1\N=C\c(cc(Cl)cc3Cl)c3O)C(=O)NNC2=O,0.0
44244,CO-ADD:0236182,3.08,N12c(c(C3C(CC=C3)C1)c4)c(C5C(CC=C5)C2)cc4C(=O)OCC(=O)c6ccc(cc6)Cl,0.0
44245,CO-ADD:0236800,3.08,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
44246,CO-ADD:0234675,3.08,c1(oc(c2n1)ccc(c2)\N=C\c(cccc3[N+](=O)[O-])c3)c4c(O)cc(c5c4)cccc5,0.0
44247,CO-ADD:0231457,3.08,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3Cl)Cl)c3)c4cccc(Cl)c4Cl,0.0
44248,CO-ADD:0236379,3.08,c1(scc(c2ccccc2)n1)NC(=O)c3ccc(cc3Cl)Cl,0.0
44249,CO-ADD:0236316,3.08,N1(c2ccccc2)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
44250,CO-ADD:0236266,3.08,c(COc1cccc(cccn2)c12)(c(C)c3C)c(C)c(c3COc4cccc(cccn5)c45)C,0.0
44251,CO-ADD:0234680,3.08,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(COc3c(C)cccc3C)=O,0.0
44252,CO-ADD:0234660,3.08,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c3cccc(F)c3,0.0
44253,CO-ADD:0233599,3.08,c(c1)(c(N(C)C)cc(OC)c1C(=O)N(CC2)CCN2CCO)[N+](=O)[O-],0.0
44254,CO-ADD:0227231,3.08,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c2ccccc2F,0.0
44255,CO-ADD:0227908,3.08,n1c(SCc(cc2)ccc2[N+](=O)[O-])c(C#N)cc3N(C4)CCC(C4)c13,0.0
44256,CO-ADD:0231205,3.08,c1(C(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(cccc4)c34)c(O)cc(c5c1)cccc5,0.0
44257,CO-ADD:0229710,3.08,C(CNc1cccc(Br)c1)(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
44258,CO-ADD:0229076,3.08,C(=O)(c1ccc(cc1)OC)Nc(cccc2C(=O)N\N=C\c3ccc(cc3O)O)c2,0.0
44259,CO-ADD:0225738,3.08,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4ccccc4C(OCC)=O)=O,0.0
44260,CO-ADD:0226906,3.08,n(c1c(cccc1)nc2SCC(=O)Nc3ccccc3C(F)(F)F)(c(C(C)C)nn4)c24,0.0
44261,CO-ADD:0226917,3.08,n(c1c(cccc1)nc2SCC(=O)Nc3c(C)ccc(F)c3)(c(C(C)C)nn4)c24,0.0
44262,CO-ADD:0226122,3.08,S(=O)(=O)(N(c(cc1)ccc1C(C)C)Cc(cc2F)cc(c2)F)c3cccn(cnn4)c34,0.0
44263,CO-ADD:0220475,3.08,[N+](=O)([O-])c(cc1)ccc1\C=C(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cccc(OC)c3,0.0
44264,CO-ADD:0220847,3.08,[N+](=O)([O-])c1cc(Oc(cc2)ccc2N)cc(Oc(cc3)ccc3F)c1,0.0
44265,CO-ADD:0219762,3.08,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2OCc(ccc(c34)cccc3)c4,0.0
44266,CO-ADD:0220524,3.08,C(CNc(cc1)ccc1C)(=O)N\N=C\C(\C)=C\c(cc2)ccc2\C=C(/C)\C=N\NC(CNc(cc3)ccc3C)=O,0.0
44267,CO-ADD:0220070,3.08,S(=O)(=O)(c1ccc(cc1)\N=C\c(cc2)ccc2[N+](=O)[O-])Nc3nc(C)cc(C)n3,0.0
44268,CO-ADD:0222227,3.08,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(CNc3cccc(cccc4)c34)=O,0.0
44269,CO-ADD:0221370,3.08,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCNC(C)=O)c1C,0.0
44270,CO-ADD:0221286,3.08,n1c(c2)c([nH]c1c3ccccn3)ccc2[N+](=O)[O-],0.0
44271,CO-ADD:0221346,3.08,N(C(C)(CC(C)C)NN1c2ccccc2)=C1S,0.0
44272,CO-ADD:0221632,3.08,c1(O)c(cc(cc1C(C)(C)C)CN2CCCCCC2)C(C)(C)C,0.0
44273,CO-ADD:0221088,3.08,c1(\C=N\NC(=O)c2ccc(cc2)OCCC)c[nH]c(ccc(Br)c3)c13,0.0
44274,CO-ADD:0221171,3.08,C(/C(C)=NN1)(=N\Nc(c(Cl)ccc2C(=O)Nc3c(Cl)cc(c(Cl)c3)Cl)c2)\C1=O,0.0
44275,CO-ADD:0231567,3.08,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c4c(O)ccc(cccc5)c45,0.0
44276,CO-ADD:0233049,3.08,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)OCC(c3ccccc3)=O,0.0
44277,CO-ADD:0236195,3.08,C(C#N)(C(c1ccc(c(OC)c1)OC)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
44278,CO-ADD:0227667,3.08,C1(c2cccc(Oc(cc3)ccc3[N+](=O)[O-])c2)=Nc(c4C(=O)O1)cccc4,0.0
44279,CO-ADD:0232975,3.08,N(c(ccc(c1)C)c12)=C(c3ccc(cc3)NC(=O)C(C)(C)C)OC2=O,0.0
44280,CO-ADD:0238638,3.08,NC1=NC(N(C)C)=N[Ir](N1)[P+]23C[N@]4C[N@@](C3)CN(C4)C2.CC5=C(C6=CC=C(C=C6)C7=CC=CC=C7)C(C)=C(C)C5C.[Cl-],0.0
44281,CO-ADD:0231696,3.08,n1c2c(sc1c3ccc(cc3)\N=C\c4cc(C)cc(Br)c4O)ccc(C)c2,0.0
44282,CO-ADD:0233749,3.08,N1(C[C@@H](C[C@H]1C(=O)N(CC2)CCC2(C)c(ccn3)o3)O)C(C)=O,0.0
44283,CO-ADD:0234709,3.07,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(COc(ccc(c3C)C)c3)=O,0.0
44284,CO-ADD:0234055,3.07,C(=C\c(ccc(c1OC)OC)c1)/C(=O)c2ccc(cc2)I,0.0
44285,CO-ADD:0231636,3.07,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
44286,CO-ADD:0236040,3.07,N1C(SCC(=O)NC(C)c2ccccc2)=NN=C(C)C1=O,0.0
44287,CO-ADD:0234347,3.07,S(=O)(=O)(c1ccccc1Cl)Nc2ccccn2,0.0
44288,CO-ADD:0236264,3.07,N1(c2ccc(cc2)CC)CC(CC1=O)C(NCCC(C)C)=O,0.0
44289,CO-ADD:0231612,3.07,[N+](=O)([O-])c1cc2c(cc1\C=N\c(cc3)ccc3Br)OCO2,0.0
44290,CO-ADD:0227608,3.07,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3ccccc3,0.0
44291,CO-ADD:0227571,3.07,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(COc3cccc(C)c3)=O)Br,0.0
44292,CO-ADD:0227214,3.07,C(COc1cccc(Cl)c1)(=O)N\N=C\c2cccc(O)c2,0.0
44293,CO-ADD:0229678,3.07,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Nc(cccc2c3cn4c(cccc4)n3)c2,0.0
44294,CO-ADD:0227293,3.07,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c3ccc(cc3OC)OC,0.0
44295,CO-ADD:0227865,3.07,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c3ccc(cc3Cl)Cl,0.0
44296,CO-ADD:0221490,3.07,C(OC)(=O)c1ccc(cc1)\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
44297,CO-ADD:0221425,3.07,C(=O)(c1cc(C)ccc1C)c2ccccc2NC(=O)c3ccccn3,0.0
44298,CO-ADD:0221873,3.07,C12(\C=N/c3ccccc3)c4c(cccc4)C(C(C1C5=O)C(N5c6ccccc6)=O)c(cccc7)c27,0.0
44299,CO-ADD:0220218,3.07,c1(NCC(=O)N\N=C\C=C\c2ccccc2)c(Br)cc(cc1Br)Br,0.0
44300,CO-ADD:0221895,3.07,C(=O)(N\N=C\c(cc1)ccc1C(C)C)C(=O)Nc(cc2)ccc2OCCCCC,0.0
44301,CO-ADD:0226246,3.07,S(=O)(=O)(N(c1ccc(c2c1)OCCO2)CC(=O)OC(C)(C)C)c(ccc(n3c4)nn4)c3,0.0
44302,CO-ADD:0222778,3.07,C(COc1ccc(cc1C)C)(=O)N\N=C\C(\Br)=C\c2ccccc2,0.0
44303,CO-ADD:0222745,3.07,c1(c(\C=N\NC(COc2c(C)cccc2C)=O)ccc(OC(C)=O)c1OC)[N+](=O)[O-],0.0
44304,CO-ADD:0219096,3.07,C(=O)(c1ccc(cc1)OCCCCCCCCCC)N\N=C(\C2)/CCC2,0.0
44305,CO-ADD:0220545,3.07,c1(c2ccc(cc2)Br)ccc(\C=N\NC(CNc(cc3)ccc3C)=O)o1,0.0
44306,CO-ADD:0220529,3.07,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(CNc3cccc(C)c3)=O)o1,0.0
44307,CO-ADD:0220469,3.07,c1(N(CC2)CCO2)nc(N\N=C\c(cccc3[N+](=O)[O-])c3OC)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
44308,CO-ADD:0221670,3.07,C(=O)(Oc(ccc(c1C)C)c1)Nc(ccc(c2Br)Br)c2,0.0
44309,CO-ADD:0221334,3.07,N1(CCCC1=O)c2cccc(c2)C(=O)N\N=C\c3cccc(OC)c3,0.0
44310,CO-ADD:0219069,3.07,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3Br,0.0
44311,CO-ADD:0221282,3.07,N(CC1)(CCO1)CCOc2ccccc2OC,0.0
44312,CO-ADD:0219037,3.07,C(C#N)(=C(N)SC(=C1C#N)N)C1c2c(C)cc(c(c2C)[N+]([O-])=O)C,0.0
44313,CO-ADD:0221651,3.07,n1c(N2CCCC2)nc(nc1N(CC3)CCO3)N\N=C\c4cccc(Br)c4,0.0
44314,CO-ADD:0232944,3.07,[N+](=O)([O-])c1ccc(cc1N\N=C\c(ccc(c23)OCO2)c3)Cl,0.0
44315,CO-ADD:0234933,3.07,c1(Nc2ccccc2)nc(N\N=C\c3cccc(F)c3)nc(NCc4ccccc4)n1,0.0
44316,CO-ADD:0236006,3.07,c1(NC(CSC2=NN=C(C(=O)N2)C)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
44317,CO-ADD:0234418,3.07,C(=C/c1ccccc1)(/n(c2)ncn2)\C(=O)c3ccc(cc3Cl)Cl,0.0
44318,CO-ADD:0227759,3.07,C1(c2ccc(cc2Cl)Cl)=N\C(\C(=O)O1)=C/c(cc3)ccc3C,0.0
44319,CO-ADD:0236263,3.07,C(=O)(N\N=C\c1cccs1)C(=O)Nc(cc2)ccc2F,0.0
44320,CO-ADD:0233336,3.07,C1(CCCC1)(C(N)=O)c2ccc(c(OC)c2)OC,0.0
44321,CO-ADD:0234298,3.07,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O)Br,0.0
44322,CO-ADD:0233688,3.07,[P+](c1ccccc1)(c2ccccc2)(c3ccccc3)Cc(cc4)ccc4N.[I-],0.0
44323,CO-ADD:0236054,3.07,C12(CCC1)CC2C(=O)N\N=C\c3cccc(Cl)c3,0.0
44324,CO-ADD:0236425,3.07,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)Nc3ccccc3Br,0.0
44325,CO-ADD:0236396,3.07,C(=O)(c1ccc(cc1)Cl)NCC(=O)OCC(c2ccccc2)=O,0.0
44326,CO-ADD:0227343,3.07,c(\C=N\NC(=O)Cc1ccc(c(cccc2)c12)Br)(cc(Br)cc3Br)c3O,0.0
44327,CO-ADD:0227282,3.07,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3C(O)=O,0.0
44328,CO-ADD:0227993,3.07,C(COc1ccc(cc1OC)Br)(=O)N\N=C\C(c2ccccc2)=O,0.0
44329,CO-ADD:0231672,3.07,c1(C(=O)N\N=C\c(cc(Br)c(c2Br)O)c2O)nn(c(c3ccccc3)n1)c4ccccc4,0.0
44330,CO-ADD:0231717,3.07,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc3c(OC)cc(cc3Br)Br)=O,0.0
44331,CO-ADD:0231695,3.07,c1(OCC(=O)N\N=C\c(cc2)ccc2C)c(OC)cc(cc1Br)Br,0.0
44332,CO-ADD:0226254,3.07,S(=O)(=O)(N(Cc1ccccc1)c2cccc(F)c2)c(ccc3n4c(C)nn3)c4,0.0
44333,CO-ADD:0225886,3.07,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc(cc4)ccc4F)C2=O,0.0
44334,CO-ADD:0226278,3.07,S(=O)(=O)(N(Cc1ccccc1)c2ccc(c(F)c2)F)c(ccc(n3c4)nn4)c3,0.0
44335,CO-ADD:0226302,3.07,S(=O)(=O)(N(Cc1ccccc1)c2ccc(c(F)c2)C)c(ccc(n3c4)nn4)c3,0.0
44336,CO-ADD:0222627,3.07,C(CSCc1cccc(Cl)c1)(=O)N\N=C\c(ccc(c2OCC)OCc3ccccc3)c2,0.0
44337,CO-ADD:0222215,3.07,c(cc(Cl)cc1Cl)(\C=N\c(ccc(c2C)C)c2)c1O,0.0
44338,CO-ADD:0220465,3.07,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(=O)c3cc(Br)ccc3O,0.0
44339,CO-ADD:0220531,3.07,c1(ccc(\C=N\NC(CNc2cccc(C)c2)=O)o1)c3ccc(cc3Cl)Cl,0.0
44340,CO-ADD:0220065,3.07,C(COc(cc1)ccc1Cl)(=O)Nc(cc2)ccc2Br,0.0
44341,CO-ADD:0222295,3.07,c1(Nc(cc2)ccc2[N+](=O)[O-])nc(N\N=C\c3ccccc3C)nc(NCc4ccccc4)n1,0.0
44342,CO-ADD:0221421,3.07,C(=O)(c1ccccc1C)Nc2cccc(c2)\N=C\c3ccccc3O,0.0
44343,CO-ADD:0221419,3.07,N(/NC(=O)c1cccc(I)c1)=C(/C(C)C)\c2ccccc2,0.0
44344,CO-ADD:0221482,3.07,C(=O)(c1cccc(Br)c1)Nc(cc2)ccc2I,0.0
44345,CO-ADD:0221418,3.07,C(COc1ccccc1)(=O)N\N=C(\C)/CCC=C,0.0
44346,CO-ADD:0221066,3.07,c(\C=N\NC(COc1ccc(cc1OC)Br)=O)(c2c([nH]3)cccc2)c3,0.0
44347,CO-ADD:0221339,3.07,c1(Cl)n(c2ccccc2)nc(C)c1C(=O)Nc(cccc3C(F)(F)F)c3,0.0
44348,CO-ADD:0231153,3.07,c(c(C)cc(c1NC(=O)c2ccc(cc2)C)C)(NC(=O)c3ccc(cc3)C)c1C,0.0
44349,CO-ADD:0229641,3.07,n1(c2c(n3)cccc2)c3S\C(=C/c4cccc(Br)c4)\C1=O,0.0
44350,CO-ADD:0231135,3.07,N1(CN(CC2)CCO2)C(=O)\C(\SC1=O)=C\c(ccc(c34)OCO3)c4,0.0
44351,CO-ADD:0229638,3.06,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c5c(Cl)ccc(c5)[N+](=O)[O-])o4)\C1=O,0.0
44354,CO-ADD:0233649,3.06,c1(c(\C=N\NC(=O)\C(=C/c(ccc(c23)OCO2)c3)\NC(c4ccccc4)=O)ccc(O)c1OC)[N+](=O)[O-],0.0
44355,CO-ADD:0234272,3.06,C(=N\NC(CNC(=O)c1ccc(cc1)Cl)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
44356,CO-ADD:0236397,3.06,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(CNC(=O)c2ccco2)=O,0.0
44357,CO-ADD:0233488,3.06,c(\C=N\NC(COc(ccc(c1C)C)c1)=O)(cc(Br)cc2Br)c2O,0.0
44358,CO-ADD:0233504,3.06,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2ccc(cc2Br)Cl)=O)c3ccccc3Br,0.0
44359,CO-ADD:0234507,3.06,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5)OCC(OCC)=O,0.0
44360,CO-ADD:0234654,3.06,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
44361,CO-ADD:0234395,3.06,N(/c1ccccc1I)=C\c2ccccc2Cl,0.0
44362,CO-ADD:0234172,3.06,c(\C=N\c1ccccc1Cl)(c(C)c2Cl)c(O)c(c2C)Br,0.0
44363,CO-ADD:0236067,3.06,C12C(C1C(=O)N\N=C/c3ccc(Br)s3)CCCC2,0.0
44364,CO-ADD:0233625,3.06,c1(n2cccn2)[nH]nc(C)c1[N+](=O)[O-],0.0
44365,CO-ADD:0227381,3.06,[N+](=O)([O-])c1ccc(cc1\C=N/NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)O,0.0
44366,CO-ADD:0227084,3.06,n12c(nnc1c3c(cccc3Cl)Cl)c(c(Cl)c(C#N)c2Cl)Cl,0.0
44367,CO-ADD:0229191,3.06,n1(c(C)c(nn1)\C(\C)=N\N)c2nonc2N,0.0
44368,CO-ADD:0231686,3.06,c1(O)c(Br)c(\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)cc(Br)c1O,0.0
44369,CO-ADD:0229222,3.06,C(=O)(O\N=C(/C1)\c2c(CC1)ccc(OC)c2)c3cccs3,0.0
44370,CO-ADD:0227852,3.06,c1(c(cccc1[N+](=O)[O-])C(=O)OCC(=O)c2ccc(cc2)Br)C(=O)Oc(cc3)ccc3NC(C)=O,0.0
44371,CO-ADD:0225194,3.06,c12n(C=CN(Cc(cc3)ccc3F)C1=O)c(nn2)SCC(=O)NCC4CCCO4,0.0
44372,CO-ADD:0225234,3.06,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc4ccccc4C(F)(F)F)C2=O,0.0
44373,CO-ADD:0226394,3.06,c12n(c3c(cccc3)nc1SCC(=O)Nc4c(C)cc(cc4C)C)c(nn2)C,0.0
44374,CO-ADD:0225859,3.06,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)NCc(cc4)ccc4OC)=O,0.0
44375,CO-ADD:0226251,3.06,S(=O)(=O)(N(c1cccc(F)c1)Cc2ccccc2F)c(ccc(n3c4)nn4)c3,0.0
44376,CO-ADD:0220760,3.06,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c2c(O)ccc(cccc3)c23)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
44377,CO-ADD:0220273,3.06,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2\C=N\NC(CNc(cc3)ccc3C)=O)Br,0.0
44378,CO-ADD:0220491,3.06,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3ccc(cc3Br)C)=O)o1,0.0
44379,CO-ADD:0220272,3.06,[N+](=O)([O-])c1ccc(cc1\C=N\NC(CNc(cc2)ccc2C)=O)O,0.0
44380,CO-ADD:0219817,3.06,N(/c(cc1)ccc1Nc2ccccc2)=C\c(ccc(c34)cccc3)c4,0.0
44381,CO-ADD:0219084,3.06,C(COc(cc1)ccc1CCCCC)(=O)N\N=C\c(cc2)ccc2OC,0.0
44382,CO-ADD:0221392,3.06,N1(c2ccc(cc2)F)C(=O)CC(N3CCC(CC3)C)C1=O,0.0
44383,CO-ADD:0221691,3.06,C(=O)(N\N=C\c1ccccc1Cl)c2ccc(cc2)OCCCCCCCCCC,0.0
44384,CO-ADD:0221629,3.06,C(F)(F)(F)C(=O)Nc(cc1)ccc1C(OCC)=O,0.0
44385,CO-ADD:0218998,3.06,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)c1,0.0
44386,CO-ADD:0221635,3.06,c1(c(NCCN)ccc(c1)[N+](=O)[O-])[N+](=O)[O-].Cl,0.0
44387,CO-ADD:0221511,3.06,N1(c(cc2)ccc2C(OCCCCC)=O)C(=O)c3c(cc(cc3)Oc(cc4)ccc4N)C1=O,0.0
44388,CO-ADD:0236630,3.06,C1(C#N)(C#N)C(c2cc(Br)ccc2F)C(C3)C(C(C#N)=C1N)=CCN3CC,0.0
44389,CO-ADD:0232990,3.06,N1(CCOc2ccccc2)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
44390,CO-ADD:0236591,3.06,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3c(Cl)ccc(c3)[N+](=O)[O-].C(=O)O,0.0
44391,CO-ADD:0231143,3.06,C(=O)(c1cccc(Br)c1)Nc2ccc(cc2OC)OC,0.0
44392,CO-ADD:0231069,3.06,N1(\N=C\c(cc2)ccc2Br)C(C)=Nc(c3C1=O)ccc(Cl)c3,0.0
44393,CO-ADD:0234755,3.05,C(=C\c(ccc(c1[N+](=O)[O-])N(CC(C)C)CC(C)C)c1)(/C(=O)NC(N2)=S)\C2=O,0.0
44394,CO-ADD:0234736,3.05,c(cc(Br)cc1Cl)(\C=N\c(ccc2c3cccn2)c3)c1O,0.0
44395,CO-ADD:0236490,3.05,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(cc4)OCc5ccccc5,0.0
44396,CO-ADD:0236011,3.05,c1(NC(CSc2sc(c3n2)cccc3)=O)sc(c4c1C#N)CCCC4,0.0
44397,CO-ADD:0233512,3.05,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccccc2)=O)N(CC(C)C)CC(C)C)c1,0.0
44398,CO-ADD:0227569,3.05,C(=N\NC(COc1cccc(C)c1)=O)(/c2c(N3C)cccc2)\C3=O,0.0
44399,CO-ADD:0227169,3.05,C(=O)(Nc1ccccc1I)C(C(F)(F)F)C(F)(F)F,0.0
44400,CO-ADD:0227181,3.05,c1(c2ccc(cc2)Cl)ccc(\C=N\c3cc(ccc3O)Cc(ccc(c4\N=C\c(ccc5c6ccc(cc6)Cl)o5)O)c4)o1,0.0
44401,CO-ADD:0231203,3.05,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)NCC(=O)N\N=C(\C)/C,0.0
44402,CO-ADD:0227568,3.05,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(COc3cccc(C)c3)=O,0.0
44403,CO-ADD:0229730,3.05,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5ccccc5Cl)OCC,0.0
44404,CO-ADD:0227344,3.05,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\C(\Br)=C\c2ccccc2,0.0
44405,CO-ADD:0229581,3.05,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CNC4CCCCC4,0.0
44406,CO-ADD:0229698,3.05,C(CNc1ccccc1OC)(=O)N\N=C\c2cccc(CC=C)c2O,0.0
44407,CO-ADD:0231713,3.05,c1(C(=O)N\N=C\c(c(O)ccc2[N+](=O)[O-])c2)nn(c(c3ccccc3)n1)c4ccccc4,0.0
44408,CO-ADD:0227893,3.05,C(=O)(Nc(ccc(c1Cl)Cl)c1)C2CC=CCC2C(O)=O,0.0
44409,CO-ADD:0227066,3.05,C(=O)(c1ccc(cc1)Br)Nc(cc2)ccc2N(C)C,0.0
44410,CO-ADD:0225907,3.05,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc4cccc(C)c4)C2=O,0.0
44411,CO-ADD:0226399,3.05,n(c1c(cccc1)nc2SCC(=O)Nc3ccc(cc3C(F)(F)F)Cl)(c(C(C)C)nn4)c24,0.0
44412,CO-ADD:0226336,3.05,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc4c(F)ccc(F)c4,0.0
44413,CO-ADD:0226395,3.05,c12n(c3c(cccc3)nc1SCC(=O)Nc4ccc(cc4F)Br)c(nn2)C,0.0
44414,CO-ADD:0219586,3.05,S(=O)(=O)([O-])N(CC)CC(COCCCCl)O,0.0
44415,CO-ADD:0222794,3.05,c12c(c3c(cccc3)C1=O)c4c(ccc(cccc5)c45)nc2c6ccccc6OC,0.0
44416,CO-ADD:0221908,3.05,N1(c(cc2)ccc2S(N)(=O)=O)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
44417,CO-ADD:0222258,3.05,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3cccc(F)c3,0.0
44418,CO-ADD:0220223,3.05,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c2cccc(Br)c2,0.0
44419,CO-ADD:0220532,3.05,c1(ccc(\C=N\NC(CNc2cccc(C)c2)=O)o1)c3cc(Cl)ccc3Cl,0.0
44420,CO-ADD:0237126,3.05,CS(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)N(CC2CCCO2)c3nc4ccccc4s3,0.0
44421,CO-ADD:0237289,3.05,COc1cc(OC)cc(c1)C(=O)NCC2Cc3cc(Cl)cc(c3O2)c4ccncc4,0.0
44422,CO-ADD:0237371,3.05,CN1CCCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,0.0
44423,CO-ADD:0237127,3.05,Cc1nc2ccccn2c1C(=O)NCc3ccc(Cl)cc3,0.0
44424,CO-ADD:0234308,3.05,c1(c(O)c(\C=N\c(cccc2c3oc(c4n3)cccc4)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
44425,CO-ADD:0227360,3.05,c1(NCC(=O)N\N=C\c2cccc(Br)c2)c(Br)cc(cc1Br)Br,0.0
44426,CO-ADD:0236246,3.05,c1(SCC(=O)c2ccc(c(OC)c2)OC)nc(C)cc(C)c1C#N,0.0
44427,CO-ADD:0234051,3.05,C(=C\c(cc1)ccc1Cl)/C(=O)c2ccc(cc2)F,0.0
44428,CO-ADD:0233777,3.05,N1(CCC[C@@H](C1)c(ccn2)o2)C(=O)[C@@H](C(C)C)N.Cl,0.0
44429,CO-ADD:0229827,3.05,c12c(ccc(c1)NC(CCC(=O)OCC(c3ccccc3)=O)=O)c4c(cccc4)o2,0.0
44430,CO-ADD:0233701,3.05,n1nc(oc1C(CC2)CCN2C(=O)[C@@H]3CCC(=O)N3)C,0.0
44431,CO-ADD:0234730,3.05,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3cccc(F)c3)=O,0.0
44432,CO-ADD:0234982,3.05,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccco3,0.0
44433,CO-ADD:0227259,3.05,CC(C)([C@@H](C1)C2)[C@@H]2[C@H](CO)[C@H]1S(O)\N=C\c(ccc([N+](=O)[O-])c3)c3,0.0
44434,CO-ADD:0227274,3.05,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(cc3)ccc3O,0.0
44435,CO-ADD:0227402,3.05,c1(O)c(Br)cc(cc1Br)\C=N\NC(CNc2cccc(C)c2)=O,0.0
44436,CO-ADD:0231725,3.05,c1(OCC(=O)N\N=C\c2cc(Br)ccc2OC)c(OC)cc(cc1Br)Br,0.0
44437,CO-ADD:0231804,3.05,c1(\C=N\NC(COc2ccc(cc2Br)OC)=O)c3c(cccc3)cc(cccc4)c14,0.0
44438,CO-ADD:0229643,3.05,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccccc2OC)c3ccc(cc3C)Cl,0.0
44439,CO-ADD:0229728,3.05,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N/NC(=O)\C(=C\c(ccc(c34)OCO3)c4)\NC(c5ccccc5)=O,0.0
44440,CO-ADD:0227256,3.05,CC(C)([C@@H](C1)C2)[C@@H]2[C@H](CO)[C@H]1S(O)N,0.0
44441,CO-ADD:0227401,3.05,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c(ccc(c2O)O)c2,0.0
44442,CO-ADD:0231726,3.05,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O,0.0
44443,CO-ADD:0227124,3.05,c1(nnn2)n2C(Cc(cc(OC)c(OC)c3)c13)(C)C,0.0
44445,CO-ADD:0226236,3.05,S(=O)(=O)(N(Cc(cc1)ccc1C=C)c2ccc(c3c2)OCO3)c(ccc(n4c5)nn5)c4,0.0
44446,CO-ADD:0226281,3.05,S(=O)(=O)(N(Cc1ccccc1F)c2ccc(c(F)c2)F)c(ccc(n3c4)nn4)c3,0.0
44447,CO-ADD:0226369,3.05,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(=O)Nc4c(F)ccc(F)c4)=O,0.0
44448,CO-ADD:0226385,3.04,N1(C(C)=CC(=N2)Nc3ccccc3C)C2=NN(CCOc(cc4)ccc4F)C1=O,0.0
44449,CO-ADD:0226393,3.04,c12n(c3c(cccc3)nc1SCC(=O)Nc4c(C)cccc4C)c(nn2)C,0.0
44450,CO-ADD:0220526,3.04,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(ccc(c2OCC)O)c2)c1,0.0
44451,CO-ADD:0220482,3.04,C(=N\NC(COc1ccc(cc1Br)C)=O)(/c2c(N3C)cccc2)\C3=O,0.0
44452,CO-ADD:0222263,3.04,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3ccccc3I,0.0
44453,CO-ADD:0221961,3.04,c1(c(ccc(C(C)=O)c1)c(c23)ccc(C(C)=O)c2)C3=O,0.0
44454,CO-ADD:0220632,3.04,c1(cc(O)ccc1O)\C(\C)=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O,0.0
44455,CO-ADD:0222036,3.04,c1(c(Br)cc(cc1\C=N\NC(COc(cc2)ccc2C)=O)Br)OC(=O)c3cccc(Br)c3,0.0
44456,CO-ADD:0237129,3.04,O=C(C1CCCCC1)N2CC3N(CCc4ccccc34)C(=O)C2,0.0
44457,CO-ADD:0237147,3.04,Clc1ccc2OCCN(c3ccc(s3)C(=O)NC4CC4)c2c1,0.0
44458,CO-ADD:0237061,3.04,CC1COC(Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl,0.0
44459,CO-ADD:0237064,3.04,Cc1ccc2nc(Cl)c(CNCc3cccs3)cc2c1,0.0
44460,CO-ADD:0237066,3.04,COc1cccc(OCC(=O)c2ccc(Br)cc2)c1,0.0
44461,CO-ADD:0237155,3.04,Cc1cc(Nc2ccncc2)n3nc(C)c(c4ccccc4Cl)c3n1,0.0
44462,CO-ADD:0236714,3.04,n1(nnc(C(OC)=O)c1COC)c2nonc2N,0.0
44463,CO-ADD:0236693,3.04,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)NC(C)c4ccccc4)n2,0.0
44464,CO-ADD:0236649,3.04,C(C(OCC)=O)(=C(C)NC(=C1C#N)SCC(N)=O)C1c2cccs2,0.0
44465,CO-ADD:0230947,3.04,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)NCc3ccccc3,0.0
44466,CO-ADD:0234882,3.04,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(ccc(c2C)C)c2)=O)c3ccccc3I,0.0
44467,CO-ADD:0236476,3.04,n(c1C)(nnc1C(=O)N\N=C(\C2)/c3c(C2)cccc3)c4nonc4N,0.0
44468,CO-ADD:0235965,3.04,N1(c2ccc(cc2)OCC)C(=O)C3C(C(\C(=C(/C)\C)\C34)C=C4)C1=O,0.0
44469,CO-ADD:0234890,3.04,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O)Cl,0.0
44470,CO-ADD:0229233,3.04,n1c2c(oc1c3ccccc3)ccc(c2)\N=C\c(cc4)ccc4OC(=O)c5ccccc5Cl,0.0
44471,CO-ADD:0227115,3.04,N1(CC(N(O)C1(C)C)=O)C(c2ccccc2)=O,0.0
44472,CO-ADD:0227142,3.04,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc(c(C)ccc4[N+](=O)[O-])c4,0.0
44473,CO-ADD:0227441,3.04,C(CNc(cc1)ccc1Cl)(=O)N\N=C/c(cccc2Oc3ccccc3)c2,0.0
44474,CO-ADD:0231703,3.04,c1(C(=O)N\N=C\c2cccc(cccc3)c23)nn(c(c4ccccc4)n1)c5ccccc5,0.0
44475,CO-ADD:0227782,3.04,C1(C#N)(C#N)C(c(ccnn2)c2)C(N(c3c(cccc3)C=C4)C14)C(c5ccccc5)=O,0.0
44476,CO-ADD:0227755,3.04,N1(C(Cc2ccccc2)C(=O)N(CC(C)C)CC(C)C)C(=O)c(c3C1=O)cccc3,0.0
44477,CO-ADD:0225206,3.04,c12n(C=CN(Cc3ccccc3)C1=O)c(nn2)SCC(NCCCOC)=O,0.0
44478,CO-ADD:0225214,3.04,N12C(C=CC(C(=O)Nc(cc3)ccc3OC)=C1)=NN(CC(=O)Nc(ccc(c45)OCCO4)c5)C2=O,0.0
44479,CO-ADD:0225839,3.04,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)Nc(cc4)ccc4OCC)=O,0.0
44480,CO-ADD:0226899,3.04,c12n(c3c(cccc3)nc1SCC(=O)NCc4ccccc4Cl)c(nn2)CC,0.0
44481,CO-ADD:0222303,3.04,n1c2c(oc1c3cccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)ccc(C)c2,0.0
44482,CO-ADD:0219699,3.04,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(NCCC)=O,0.0
44483,CO-ADD:0219523,3.04,C(/O)(\c1ccc(cc1)OC)=C/C=N/c(cc2)ccc2O,0.0
44484,CO-ADD:0219648,3.04,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(=O)C(O)c3ccccc3,0.0
44485,CO-ADD:0222029,3.03,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2)ccc2C(C)(C)C,0.0
44486,CO-ADD:0237322,3.03,CC(C)(C)OC(=O)N1CCC(Cn2nc(-c3cnc4ccccc4c3)c3c(N)ncnc23)CC1,0.0
44487,CO-ADD:0237106,3.03,COc1ccc(Nc2ccccc2NC(=O)c3ccc(O)nc3)cc1,0.0
44488,CO-ADD:0237435,3.03,CCc1ccccc1n2c(C)cn3c4C(=O)N(C(C(C)C)C(=O)OC)C(=O)N(C)c4nc23,0.0
44489,CO-ADD:0237298,3.03,Cc1cc(Cl)c(cc1OCC(=O)NC2CCCCC2)S(=O)(=O)N3CCCC3,0.0
44490,CO-ADD:0237383,3.03,Cc1cnc(nc1Oc2ccc(cc2)n3ccnc3)N4CCN[C@@H](Cc5ccccc5)C4.Cl,0.0
44491,CO-ADD:0237053,3.03,CC1COC2(CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)[N+](=O)[O-])C(F)(F)F)O1,0.0
44492,CO-ADD:0234593,3.03,[N+](=O)([O-])c1cccc(\C=N\NC(COc(cc2)ccc2Cl)=O)c1O,0.0
44493,CO-ADD:0229490,3.03,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3c4ccc(cc4)N\C=C(\C(C)=NN5c6ccc(c(C)c6)C)/C5=O,0.0
44494,CO-ADD:0231068,3.03,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)NCC(NCCCC)=O,0.0
44495,CO-ADD:0233254,3.03,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(=O)c2ccc(cc2)C,0.0
44496,CO-ADD:0234592,3.03,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)c3ccccc3Br,0.0
44497,CO-ADD:0233033,3.03,N1C(=O)\C(\SC1=S)=C\c(ccc2c3ccccc3Cl)o2,0.0
44498,CO-ADD:0233229,3.03,c1(CN(CC2)CCO2)c(O)cc(cn1)Cc3ccccc3,0.0
44499,CO-ADD:0231093,3.03,c1(\C=N\NC(CCC(=O)Nc2cccc(Br)c2)=O)c(O)ccc(cccc3)c13,0.0
44500,CO-ADD:0231762,3.03,c1(oc(c2n1)ccc(c2)\N=C\c(c(O)ccc3[N+](=O)[O-])c3)c4cccc(Cl)c4Cl,0.0
44501,CO-ADD:0236448,3.03,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c(cc3)ccc3[N+](=O)[O-])c4nonc4N,0.0
44502,CO-ADD:0234054,3.03,C(=C\c(cc1)ccc1OC)/C(=O)c2ccc(cc2)F,0.0
44503,CO-ADD:0233371,3.03,C(=O)(c1ccc(cc1)CCCC)Oc2cccc(c2)OC(=O)c3ccc(cc3)CCCC,0.0
44504,CO-ADD:0233316,3.03,[N+](=O)([O-])c(ccc1c2OCC(=O)N1)c2,0.0
44505,CO-ADD:0234328,3.03,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
44506,CO-ADD:0234057,3.03,N1(C(=O)C=CC1=O)c2c(Cl)ccc(Cl)c2,0.0
44507,CO-ADD:0227980,3.03,c(\C=N\NC(COc1ccc(cc1OC)Br)=O)(cc(Br)cc2Br)c2O,0.0
44508,CO-ADD:0227073,3.03,n1c[nH]nc1\N=C\c2c(O)ccc(cccc3)c23,0.0
44509,CO-ADD:0227086,3.03,C12(c3c(NC1=O)cccc3)C(C(OCC)=O)=C(N)OC(C)=C2C(=O)OC(C)(C)C,0.0
44510,CO-ADD:0229218,3.03,C(=N\Nc(cc1)ccc1C(OC)=O)(/C2=O)\C(=O)NC(=O)N2,0.0
44511,CO-ADD:0227147,3.03,N1(c2ccccc2Cl)C(=O)C=C(c3ccc(cc3)Cl)C1=O,0.0
44512,CO-ADD:0227511,3.03,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C/C(/C)=C\c2ccccc2,0.0
44513,CO-ADD:0221789,3.03,C1(=O)Oc(c(c2)S1)cc(c2OC(OCCCl)=O)Br,0.0
44514,CO-ADD:0221422,3.03,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\c(cccc2NC(=O)c(cc3)ccc3C(C)(C)C)c2)OCC,0.0
44515,CO-ADD:0221492,3.03,c1(ccccc1NC(=O)c2ccc(cc2)Oc(cc3)ccc3C(=O)Nc4ccccc4C(O)=O)C(O)=O,0.0
44516,CO-ADD:0219039,3.03,c1(NC(C)=O)sc(c2c1C(O)=O)CCCC2,0.0
44517,CO-ADD:0219018,3.03,N(\C(=C\c(ccc(c1OC)OC)c1)\C(O2)=O)=C2c3ccccc3,0.0
44518,CO-ADD:0226326,3.03,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(=O)Nc(cc4)ccc4OC,0.0
44519,CO-ADD:0222472,3.03,c1(c(ccc(c1)[N+](=O)[O-])NCC(C)O)[N+](=O)[O-],0.0
44520,CO-ADD:0220811,3.03,c1(N(CC2)CCO2)nc(N\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])Br)nc(Nc(cc4)ccc4C)n1,0.0
44521,CO-ADD:0220537,3.03,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(CNc2ccccc2C)=O)c1,0.0
44522,CO-ADD:0219511,3.03,C(=O)(Oc(cc1)ccc1\C=N\Cc2ccccc2)\C=C\c(ccc(c3OC)OC)c3,0.0
44523,CO-ADD:0221013,3.03,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2ccccc2Cl,0.0
44524,CO-ADD:0222166,3.03,c1(cc(Cl)cc(\C=N\c(ccc2c3oc(n2)c(cc4)ccc4C(C)(C)C)c3)c1O)[N+](=O)[O-],0.0
44525,CO-ADD:0237054,3.03,C(Nc1nc(nc2ccccc12)N3CCCCC3)c4occc4,0.0
44526,CO-ADD:0237069,3.03,Brc1cncc(c1)c2cc(NCCCn3ccnc3)nc(n2)c4ccccc4,0.0
44527,CO-ADD:0237146,3.03,CNc1nnc(SC2=C(Cl)C(=O)N(N=C2)c3ccccc3)s1,0.0
44528,CO-ADD:0237160,3.03,CC1(C)OB(O)c2ccc(cc12)C3=NOC(C3)(c4cc(Cl)c(F)c(Cl)c4)C(F)(F)F,0.0
44529,CO-ADD:0237330,3.03,NC(=O)c1ccc(cc1)c2nc(cnc2N)c3ccc(cc3)C#N,0.0
44530,CO-ADD:0237115,3.03,O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c4oc5ccccc5c4,0.0
44531,CO-ADD:0227536,3.02,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c4cc(Cl)ccc4O,0.0
44532,CO-ADD:0230902,3.02,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCNCC.Cl,0.0
44533,CO-ADD:0231541,3.02,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccccc2C)=O)c3cccc(F)c3,0.0
44534,CO-ADD:0231007,3.02,C(COc1ccccc1C)(=O)N\N=C(/C)\CC(=O)NCC(C)C,0.0
44535,CO-ADD:0233337,3.02,C1(CCCC1)(c2ccccc2)C(O)=O,0.0
44536,CO-ADD:0236027,3.02,c1(NC(=O)c2ccccc2I)sc(c3c1C(N)=O)CCCC3,0.0
44537,CO-ADD:0233674,3.02,N(C(Cl)C(Cl)(Cl)Cl)C(c1ccccc1)=O,0.0
44539,CO-ADD:0234667,3.02,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccco2)=O)Br)OC(=O)c3cccc(F)c3,0.0
44540,CO-ADD:0234271,3.02,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNC(=O)c2cccc(F)c2)=O)O)c1,0.0
44541,CO-ADD:0227503,3.02,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N/NC(COc3cccc(Cl)c3)=O,0.0
44542,CO-ADD:0231807,3.02,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3ccc(cc3Br)OC)=O,0.0
44543,CO-ADD:0229322,3.02,S1(=O)(=O)c(cccc2)c2C(Nc3ccccc3C(OC)=O)=N1,0.0
44544,CO-ADD:0229390,3.02,N(=C\c(cc1)ccc1N(C)C)/NC(CCCNc2ccccc2)=O,0.0
44545,CO-ADD:0229118,3.02,C(O)(=O)c1ccc(cc1)N\N=C\c2ccc(cc2OC)OC,0.0
44546,CO-ADD:0229864,3.02,N1(C(c2ccc(cc2)OC)CC(c3ccc(cc3)OC)=N1)c4scc(c5ccc(cc5)Cl)n4,0.0
44547,CO-ADD:0226334,3.02,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(=O)Nc4cc(F)cc(F)c4,0.0
44548,CO-ADD:0220303,3.02,c1(oc(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c4cc(C)cc(I)c4O,0.0
44549,CO-ADD:0222336,3.02,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c5cccc(I)c5O,0.0
44550,CO-ADD:0221401,3.02,c1(sc(n2)c3ccc(cc3)Br)c2sc(c4ccc(cc4)Br)n1,0.0
44551,CO-ADD:0226396,3.02,c12n(c3c(cccc3)nc1SCC(=O)Nc4ccc(cc4Br)C)c(nn2)C,0.0
44552,CO-ADD:0218918,3.02,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(=O)c3cccc(C)c3,0.0
44553,CO-ADD:0221968,3.02,C(=C/c(cc1)ccc1N(CC)CC)(/c2c3ccc(C(C)=O)c2)\c4c3ccc(C(C)=O)c4,0.0
44554,CO-ADD:0221927,3.02,S(=O)(=O)(c1ccc(c(N)c1)Cl)Nc(c2)cc(cc2C(OC)=O)C(OC)=O,0.0
44555,CO-ADD:0220932,3.02,C(=N/NC(=O)c1ccccc1O)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
44556,CO-ADD:0237279,3.02,O=C(Nc1cccc(c1)c2ccc(NCCCN3CCCC3)nc2)c4ccccc4,0.0
44557,CO-ADD:0236524,3.02,n1c2c(oc1c3ccc(cc3)I)ccc(c2)\N=C\c(cc4)cc(c4OC(=O)c5ccc(cc5Cl)Cl)OC,0.0
44558,CO-ADD:0237197,3.02,Fc1ccc(cc1)N2CCN(CCCCN(CC#N)C(=O)OCc3ccccc3)CC2,0.0
44559,CO-ADD:0237415,3.02,CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2C)cc1,0.0
44560,CO-ADD:0237173,3.02,Cc1cc(C)n2nc(nc2n1)C(=O)Nc3cc(ccc3N4CCOCC4)C(F)(F)F,0.0
44561,CO-ADD:0237337,3.02,Clc1ccccc1CSCc2oc(cc2)C(=O)NC3CC3,0.0
44562,CO-ADD:0236789,3.02,N1(c2ccc(cc2Br)[N+](=O)[O-])C(=O)c3c(cc(c(Cl)c3)Cl)C1=O,0.0
44563,CO-ADD:0234893,3.02,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(cc4)ccc4OC(=O)c5ccc(cc5)Br,0.0
44564,CO-ADD:0231058,3.02,C(=O)(Nc(cc1)ccc1OC)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
44565,CO-ADD:0231538,3.02,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2ccccc2C)=O)c3ccccc3I,0.0
44566,CO-ADD:0230993,3.02,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc[nH]4,0.0
44567,CO-ADD:0236330,3.02,c1(C#N)c(SCC(=O)Nc2cccc(c2)NC(C)=O)nsc1SCC(=O)Nc3cccc(c3)NC(C)=O,0.0
44568,CO-ADD:0233126,3.02,C1(c(cccn2)c2)N(c3ccccc3)CCN1c4ccccc4,0.0
44569,CO-ADD:0236307,3.02,N1(N=C(S2)CCS(=O)(=O)c3ccc(c4c3)cccc4)C2=NC(C)=CC1=O,0.0
44570,CO-ADD:0233755,3.02,C(=O)([C@@H](CCCN1)C1)N(CC2)CCC2(C)c(ccn3)o3.Cl,0.0
44571,CO-ADD:0236100,3.02,N1(C(c(cccc2[N+](=O)[O-])c2)CC(c3cc(C)ccc3C)=N1)c4scc(c5ccc(cc5)C)n4.Br,0.0
44572,CO-ADD:0233781,3.02,c1(sccn1)C(C)(CC2)CCN2C(=O)CC[C@H](N)C(N)=O.Cl,0.0
44573,CO-ADD:0229873,3.02,c1(S(CCC)(=O)=O)c(C(c2ccccc2)=O)n3c(ccc(C(N)=O)c3)c1S(CCC)(=O)=O,0.0
44574,CO-ADD:0229184,3.02,[C@@]1(C#N)(C#N)[C@H](c2ccccc2F)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(c5ccccc5)=O,0.0
44575,CO-ADD:0229527,3.02,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3I,0.0
44576,CO-ADD:0229503,3.02,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/NNc3ccccc3C,0.0
44577,CO-ADD:0229113,3.02,C(=O)(N\N=C\c(cc1)ccc1Cl)c2ccc(cc2)OCc3cccc(C)c3,0.0
44578,CO-ADD:0225879,3.02,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc4cc(C)ccc4C)C2=O,0.0
44579,CO-ADD:0226303,3.02,S(=O)(=O)(N(Cc1cccc(OC)c1)c2ccc(c(F)c2)C)c(ccc(n3c4)nn4)c3,0.0
44580,CO-ADD:0225167,3.02,c12n(C=CN(c3cccc(F)c3)C1=O)c(nn2)SCC(NCCc4ccccc4)=O,0.0
44581,CO-ADD:0225207,3.02,c12n(C=CN(Cc3ccccc3F)C1=O)c(nn2)SCC(=O)N(CCCC)CC,0.0
44582,CO-ADD:0219475,3.02,c1(O)c(OC)cc(cc1Br)\C=N\NC(=O)c(cccn2)c2,0.0
44583,CO-ADD:0218952,3.02,c1(Cl)cc(Cl)ccc1\C=N\NC(CCC(=O)NCc2ccccc2)=O,0.0
44584,CO-ADD:0219730,3.01,c1(\C=N\NC(CCC(=O)Nc2cccc(Br)c2)=O)cc(OC)ccc1OC,0.0
44585,CO-ADD:0219667,3.01,c1(c(Cl)ccc(Cl)c1)NC(CCC(=O)N\N=C\c2cccc(Cl)c2)=O,0.0
44586,CO-ADD:0221983,3.01,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/CC)\Nc2ccccc2OC)[N+](=O)[O-],0.0
44587,CO-ADD:0221955,3.01,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc4cccc(N(C)C)c4,0.0
44588,CO-ADD:0219656,3.01,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(\C)/CC(=O)Nc2cccc(Cl)c2,0.0
44589,CO-ADD:0237424,3.01,O=C(Nc1cnc2ccccc2c1)c3cccc(c3)n4cnnn4,0.0
44590,CO-ADD:0237181,3.01,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3,0.0
44591,CO-ADD:0237186,3.01,COc1cc(NC(C)CCCN)c2ncccc2c1.P(O)(O)(=O)O.P(O)(O)(=O)O,0.0
44592,CO-ADD:0236237,3.01,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCCN3CCCCC3)c4ccccc4,0.0
44593,CO-ADD:0236393,3.01,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(cc3)ccc3N(C)C)\C1=O)=O,0.0
44594,CO-ADD:0233425,3.01,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Br)cc4Cl)c4O)ccc(Cl)c2,0.0
44595,CO-ADD:0234608,3.01,C(=O)(Oc1cccc(c1)\C=N\NC(COc(ccc(c2C)C)c2)=O)c3ccccc3Br,0.0
44596,CO-ADD:0236806,3.01,S(=O)(=O)(c1c(C)ccc(c1)[N+](=O)[O-])Oc2c(Br)cc(cc2Br)Br,0.0
44597,CO-ADD:0229053,3.01,c1([N+](=O)[O-])nn(c(N\N=C\c(cc2)ccc2[N+](=O)[O-])n1)C,0.0
44598,CO-ADD:0229824,3.01,N1(c2ccc(cc2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)OCC(c4ccccc4)=O,0.0
44599,CO-ADD:0236660,3.01,n1c(cccc2)n2cc1c(cccc3NC(=O)c(cccc4[N+](=O)[O-])c4)c3,0.0
44600,CO-ADD:0233771,3.01,N1(CCC[C@@H](C1)c(ccn2)o2)C(=O)c3cccc(CN)c3.Cl,0.0
44601,CO-ADD:0233756,3.01,c(C(CC1)CCN1C(=O)CN(C)C)(o2)c(C)cn2,0.0
44602,CO-ADD:0229849,3.01,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(cc(OC)c(c4[N+](=O)[O-])O)c4,0.0
44603,CO-ADD:0234989,3.01,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(COc(cc2)ccc2Cl)=O)c1,0.0
44604,CO-ADD:0227684,3.01,[N+](=O)([O-])c1ccc(cc1)\C=C\c(c2)nc(c3c2NC(C)CCCN(CC)CC)ccc(OC)c3,0.0
44605,CO-ADD:0229176,3.01,c1(cccc(cccc2)c12)CC(NCCOc3cccc(OC)c3)=O,0.0
44606,CO-ADD:0229847,3.01,C1(C(OCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)Br)=O,0.0
44607,CO-ADD:0229305,3.01,S(=O)(=O)(c1ccc(cc1)Cl)Nc2ccc(cc2C(=O)Nc3cccc(ns4)c3n4)Br,0.0
44608,CO-ADD:0229915,3.01,N(c1ccccc1C)C(COc2ccccc2Br)=O,0.0
44609,CO-ADD:0229517,3.01,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3cccc(C)c3,0.0
44610,CO-ADD:0231270,3.01,c1(C)cc(CCCC(NN)=O)ccc1OC,0.0
44611,CO-ADD:0219035,3.01,c1(OC(N)=C(C2c(c3C)c(C)c(c(C)c3[N+]([O-])=O)[N+](=O)[O-])C#N)c2c(n[nH]1)C,0.0
44612,CO-ADD:0221126,3.01,C(=O)(NCc1ccco1)Nc2c(C)ccc(c2)NC(=O)NCc3ccco3,0.0
44613,CO-ADD:0221062,3.01,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2ccc(cc2O)O,0.0
44614,CO-ADD:0219512,3.01,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(=O)NCC(C)C,0.0
44615,CO-ADD:0222533,3.01,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\c(ccc(c2Cl)OC)c2)Br,0.0
44616,CO-ADD:0221727,3.01,N1(CNc2cccc(C)c2C)C(=O)\C(\SC1=S)=C/c(cc3)ccc3N(C)C,0.0
44617,CO-ADD:0218900,3.01,C(=O)(NC(C)CC)C\C(\C)=N/NC(CC)=O,0.0
44618,CO-ADD:0219341,3.01,C(=O)(N\N=C\c(ccc(c1OCC)OCCC)c1)C(=O)Nc(cccc2C(F)(F)F)c2,0.0
44619,CO-ADD:0219636,3.01,C(=O)(N\N=C\c1cc(OC)ccc1OC)C(=O)Nc2cccc(C)c2,0.0
44620,CO-ADD:0220657,3.01,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(ccc(c3Br)O)c3,0.0
44621,CO-ADD:0219981,3.01,C(=O)(c1ccc(cc1)I)Nc(cc2)ccc2c(cc3)ccc3NC(=O)c4ccc(cc4)I,0.0
44622,CO-ADD:0220643,3.01,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/C)\C=C\c3ccco3,0.0
44623,CO-ADD:0229195,3.01,n1(nnc(C)c1C(=O)N\N=C\c(ccc2c3ccc(OC)c2)c3)c4nonc4N,0.0
44624,CO-ADD:0236739,3.01,N1(CCO)C(C)(O)C(OC1=O)(C)C,0.0
44625,CO-ADD:0234844,3.01,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(CNc3cccc(C)c3)=O,0.0
44626,CO-ADD:0236241,3.01,c(C(=O)c(cc1)ccc1c2ccccc2)(sc(c34)nc(cc3c5ccc(cc5)F)c6ccccc6)c4N,0.0
44627,CO-ADD:0232865,3.01,n1c2c(oc1c3cccc(Br)c3)ccc(c2)NC(=O)c4ccc(cc4)F,0.0
44628,CO-ADD:0234814,3.01,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(COc3ccccc3C#N)=O,0.0
44629,CO-ADD:0229022,3.01,c1(c(cccc1Cl)Cl)NC(=O)\C=C\c2ccccc2,0.0
44630,CO-ADD:0227636,3.01,c1(c2ccccc2)nc(sc1c(cc3)ccc3[N+](=O)[O-])N,0.0
44631,CO-ADD:0229030,3.01,C(=O)(Nc1cccc(CC)c1)c2ccccc2Br,0.0
44632,CO-ADD:0227725,3.01,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccc(cc5)Cl)C(C)=O,0.0
44633,CO-ADD:0234221,3.01,c1(oc(c2n1)ccc(c2)\N=C\c3cccc(I)c3)c4cc(Cl)ccc4Cl,0.0
44634,CO-ADD:0236079,3.01,c(c1)(c(cc(Cl)c1[N+](=O)[O-])Nc2ccccc2\N=C\c(c(O)ccc3[N+](=O)[O-])c3)[N+](=O)[O-],0.0
44635,CO-ADD:0227213,3.0,c1(O)c(OCC)cc(cc1I)\C=N\NC(COc2ccc(cc2Br)Cl)=O,0.0
44636,CO-ADD:0231307,3.0,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc(cc2)ccc2\C=N\c3ccc(cc3C)C,0.0
44637,CO-ADD:0227205,3.0,C(CNc1ccccc1OC)(=O)N\N=C\c(cc2)ccc2F,0.0
44638,CO-ADD:0229276,3.0,N1(COC(=O)C(c2ccccc2)NC(c3ccccc3)=O)C(=O)c4c(cccc4)C1=O,0.0
44639,CO-ADD:0229165,3.0,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])C)c1)\N=C(/NC2)\NCN2c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
44640,CO-ADD:0227248,3.0,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2ccc(cc2Br)Br)=O)O)c1,0.0
44641,CO-ADD:0221764,3.0,C(=O)(Nc1cccc(Br)c1)c2cccc(cccc3)c23,0.0
44642,CO-ADD:0222793,3.0,c(\C=N\NC(COc1c(C)cc(cc1C)Br)=O)(cc(Br)cc2Br)c2OC,0.0
44643,CO-ADD:0221742,3.0,c1(OCCNC(CCCCCCCCCCCCCCCCC)=O)cc(C)ccc1C(C)C,0.0
44644,CO-ADD:0221644,3.0,C(NCCCCCCCCCCNC(=O)Nc(ccc(c1Cl)OC)c1)(=O)Nc(ccc(c2Cl)OC)c2,0.0
44645,CO-ADD:0221367,3.0,N(c1ccccc1)(CC2)CCN2CCOc3ccccc3OC.Cl.Cl,0.0
44646,CO-ADD:0221267,3.0,N1(c2ccccc2)CC(CC1=O)C(=O)NC(CC(CC3C4)CC45)(C5)C3,0.0
44647,CO-ADD:0219259,3.0,C(F)(F)(C(=O)NC(O)C(O)NC(=O)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)OC(F)(F)F,0.0
44648,CO-ADD:0219244,3.0,c(cc(I)cc1I)(\C=N\c(cc2)ccc2C#N)c1O,0.0
44649,CO-ADD:0221967,3.0,C(=C/c(cc1)ccc1Br)(/c2c3ccc(C(C)=O)c2)\c4c3ccc(C(C)=O)c4,0.0
44650,CO-ADD:0220724,3.0,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2\C=N\NC(=O)\C(=C/c(cc3)ccc3[N+](=O)[O-])\NC(=O)c4ccccc4Cl)Br,0.0
44651,CO-ADD:0219979,3.0,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(ccc(c23)cccc2)c3)c1,0.0
44652,CO-ADD:0219201,3.0,n(c(c1ccc(cc1)C)[nH]c2c3ccc(c4c3)cccc4)c2c5ccccc5,0.0
44653,CO-ADD:0222186,3.0,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(=O)Cc3ccc(c(cccc4)c34)Br)Br,0.0
44654,CO-ADD:0222159,3.0,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(CNc(ccc(c34)cccc3)c4)=O)o2,0.0
44655,CO-ADD:0236731,3.0,c12n(c(nn1)SC)ncn2\N=C\c3ccco3,0.0
44656,CO-ADD:0232914,3.0,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)NCc(cc3)ccc3C,0.0
44657,CO-ADD:0233110,3.0,c1(C(OCC)=O)c(C)c([nH]c1CN(c2ccccc2)c3ccccc3)C(OCC)=O,0.0
44658,CO-ADD:0232899,3.0,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)Nc(cc3)ccc3Cl,0.0
44659,CO-ADD:0230957,3.0,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(cc3)OC)=C(O)C(N2CCCO)=O,0.0
44660,CO-ADD:0230916,3.0,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccccc2)c3ccc(cc3OC)OC,0.0
44661,CO-ADD:0233230,3.0,c1(c(cccn1)O)c2ccc(cc2)OC,0.0
44662,CO-ADD:0233255,3.0,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(=O)c2ccc(cc2)F,0.0
44663,CO-ADD:0231737,3.0,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c4ccc(cc4Cl)Cl,0.0
44664,CO-ADD:0234541,3.0,N(c1c2cccc1)=C(c3ccccc3)CC(N2)c4ccccc4,0.0
44665,CO-ADD:0234779,3.0,c1(NC(OCc(cc2)ccc2OC)=O)c(SC)nsc1SC,0.0
44666,CO-ADD:0233119,3.0,[N+](=O)([O-])c1cc(Oc2ccccc2)cc(Oc(cccn3)c3)c1,0.0
44667,CO-ADD:0233657,3.0,c1(cc(O)ccc1C(O)=O)C(O)=O,0.0
44668,CO-ADD:0234223,3.0,c1(\C=N\NC(COc(ccc(c2C)C)c2)=O)cc(I)ccc1O,0.0
44669,CO-ADD:0234183,3.0,c1(c(C)cccc1C)OCC(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
44670,CO-ADD:0234125,3.0,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc(cc4)ccc4Oc(cc5)ccc5NC(=O)C67CC(CC8C6)CC(C8)C7,0.0
44671,CO-ADD:0234230,3.0,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c3ccccc3Br,0.0
44672,CO-ADD:0234079,3.0,C(COc(cc1)ccc1OC)(NN)=O,0.0
44673,CO-ADD:0234069,3.0,N1=C(N)CCN1c2ccccc2,0.0
44674,CO-ADD:0229152,3.0,c1(nonc1N)\C(\N)=N\N=C\c2c(cccc2Cl)Cl,0.0
44675,CO-ADD:0229488,3.0,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3C(C)=O,0.0
44676,CO-ADD:0229852,3.0,C12(CCCCC1)N(c3ccc(cc3)Cl)C(C(=O)S2)C,0.0
44677,CO-ADD:0231287,3.0,S(=O)(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2C(=O)N\N=C/c(cc3)ccc3OS(=O)(=O)c(cccc4[N+](=O)[O-])c4)c(cccc5[N+](=O)[O-])c5,0.0
44678,CO-ADD:0229918,3.0,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc2ccc(cn2)Cl,0.0
44679,CO-ADD:0227618,3.0,c1(c(ccc(c1)[N+](=O)[O-])Oc(cc2)ccc2\C=N\c(ccc(c34)oc(c5ccc(cc5)Cl)n3)c4)[N+](=O)[O-],0.0
44680,CO-ADD:0221368,3.0,S(=O)(=O)(c(ccc(c1c2nnc(c3ccc(cc3)Br)o2)Cl)c1)N(CC4)CCO4,0.0
44681,CO-ADD:0222154,3.0,c1(cc(Br)cc(\C=N\c(ccc2c3oc(n2)c(cc4)ccc4C(C)(C)C)c3)c1O)[N+](=O)[O-],0.0
44682,CO-ADD:0219474,3.0,C(=O)(N\N=C\c(ccc(c1OCC)OCc2ccccc2)c1)C(=O)Nc3ccc(cc3C)Cl,0.0
44683,CO-ADD:0221548,3.0,N1(c(cc2Cl)cc(c2N)Br)C(=O)c(c3C1=O)ccc(C(=O)c(ccc(c4C5=O)C(N5c(cc6Cl)cc(c6N)Br)=O)c4)c3,0.0
44684,CO-ADD:0221246,3.0,c1(sc(c2c1C#N)CCC2)\N=C(\c3ccc(c(Cl)c3)Cl)/C(C4)(CN(C5)CN6CN45)C6,0.0
44685,CO-ADD:0222014,3.0,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cc3)ccc3Oc(cc4)ccc4c5ccc(cc5)Oc(cc6)ccc6NC(=O)C(c7ccccc7)c8ccccc8,0.0
44686,CO-ADD:0222686,2.99,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2cccc(Br)c2)OC)c1,0.0
44687,CO-ADD:0221210,2.99,c1(c(ccc(c1)[N+](=O)[O-])Sc2cccs2)[N+](=O)[O-],0.0
44688,CO-ADD:0221197,2.99,S(=O)(=O)(N(CC1)CCO1)c2c(Cl)ccc(c2)C(=O)Nc3sc(c4c3C#N)CCCC4,0.0
44689,CO-ADD:0221189,2.99,c1(C#N)c(CC(C)(C)OC2)c2c(nc1N3CCCCC3)CC,0.0
44690,CO-ADD:0222148,2.99,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc2cccc(cccc3)c23)=O)c4ccccc4I,0.0
44691,CO-ADD:0222032,2.99,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(cc2)ccc2C)=O)c3cccc(Br)c3,0.0
44692,CO-ADD:0220388,2.99,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(=O)OC3CCCCCCCCCCC3,0.0
44693,CO-ADD:0221943,2.99,N1(Nc(ccc(c2C)C)c2)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
44694,CO-ADD:0221910,2.99,N1(NC(=O)c(cc2)ccc2[N+](=O)[O-])C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
44695,CO-ADD:0222545,2.99,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\c2c(C)cccc2O)Br,0.0
44696,CO-ADD:0219182,2.99,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C\Nc3ccccc3O,0.0
44697,CO-ADD:0220715,2.99,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/CCC)\c3ccccc3,0.0
44698,CO-ADD:0220559,2.99,c1(OCC(=O)N\N=C\c2cccc(O)c2)c(Br)cc(cc1Br)Br,0.0
44699,CO-ADD:0222110,2.99,C(=O)(c1cccc(c1)OCc2cccc(Cl)c2)Nc(cc3)ccc3C,0.0
44700,CO-ADD:0220414,2.99,c1(c2ccccc2)[nH]c3c(ccc(c3)\N=C\c4cccc(CC=C)c4O)n1,0.0
44701,CO-ADD:0236189,2.99,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Cl,0.0
44702,CO-ADD:0231168,2.99,[N+](=O)([O-])c1cccc(c1)NC(CCCCCCCCCCCCCCCCCCCCC)=O,0.0
44703,CO-ADD:0227361,2.99,c12c(cccc1NC(=O)c(cc3)ccc3C(=O)Nc4cccc(C(=O)c(c5C6=O)cccc5)c46)C(=O)c(c7C2=O)cccc7,0.0
44704,CO-ADD:0236749,2.99,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2c(C)ccc(Cl)c2)c3c(OC)ccc(OC)c3,0.0
44705,CO-ADD:0234839,2.99,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(COc3ccccc3C#N)=O,0.0
44706,CO-ADD:0231051,2.99,c1(ccccc1Br)C(=O)N\N=C(/C)\c2ccc(cc2)C,0.0
44707,CO-ADD:0233549,2.99,c1(c2ccccc2C)oc(c3n1)ccc(c3)NC(=O)c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4,0.0
44708,CO-ADD:0231563,2.99,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2C)=O)c3ccccc3Br,0.0
44709,CO-ADD:0230954,2.99,N(c1ccc(cn1)Br)(C2c(cc3)ccc3[N+](=O)[O-])C(=O)C(=C2C(=O)c4ccc(cc4)Cl)O,0.0
44710,CO-ADD:0231517,2.99,C(=N\NC(c1ccccc1)=O)(/c(cc(C)cc2)c2N3C)\C3=O,0.0
44711,CO-ADD:0236698,2.99,c1(C(=O)N\N=C(/CCCC2)\C2)c(C)nc(cc(C)cc3)n13,0.0
44712,CO-ADD:0233472,2.99,c1(N(CC2)CCO2)nc(N\N=C/c3c(cccc3Cl)Cl)nc(Nc4ccccc4)n1,0.0
44713,CO-ADD:0236255,2.99,N1(CCSC1c2ccc(c(Br)c2)OC)C(=O)c3cccc(c3C(O)=O)[N+](=O)[O-],0.0
44714,CO-ADD:0236889,2.99,C(=O)(Nc(cc1)ccc1N(C)C)C(NCCO)=O,0.0
44715,CO-ADD:0236405,2.99,N1(c2cccc(O)c2)C(=O)c(c3C1=O)cc(c(Cl)c3)Cl,0.0
44716,CO-ADD:0236362,2.99,n12c(nnn1)c(Nc3ccccc3C)nc(non4)c24,0.0
44717,CO-ADD:0233485,2.99,c1(c(O)c(\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C/c3cccs3)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
44718,CO-ADD:0229023,2.99,C(=O)(N\N=C(/C)\CCCCCC)C(Cc1ccccc1)NC(c2ccccc2)=O,0.0
44719,CO-ADD:0236473,2.99,n1c(N)c(C#N)cc(C#N)c1SCC(=O)Nc(cc2)c(OC)cc2c(cc3)cc(c3NC(CSc4c(C#N)cc(c(N)n4)C#N)=O)OC,0.0
44720,CO-ADD:0231309,2.99,C(=O)(N\N=C\c1ccc(cc1OCC)OCC)c2cccc(Cl)c2,0.0
44721,CO-ADD:0229086,2.98,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\c3ccccc3OCc4ccccc4,0.0
44722,CO-ADD:0229427,2.98,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(cc2)ccc2NC(=O)c3ccc(cc3)Br)O)c1,0.0
44723,CO-ADD:0227854,2.98,c1(C(=O)c2ccc(cc2)F)oc(c3c1NC(C)=O)ccc(OC)c3,0.0
44724,CO-ADD:0231293,2.98,C(NCCc1ccccc1)(=O)c2ccc(cc2)CSc(cc3)ccc3Cl,0.0
44725,CO-ADD:0227176,2.98,[N+](=O)([O-])c(ccc(c1\C=N\c2cc(ccc2O)Cc(ccc(c3\N=C\c(c(O)ccc4[N+](=O)[O-])c4)O)c3)O)c1,0.0
44726,CO-ADD:0221287,2.98,c1(S(CC)(=O)=O)c(C(N)=O)n(c2c1S(CC)(=O)=O)ccc(c(cc3)ccn3)c2,0.0
44727,CO-ADD:0221327,2.98,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)N(CC3)CCN3c4ccccc4,0.0
44728,CO-ADD:0219002,2.98,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)c(cccc2[N+](=O)[O-])c2,0.0
44729,CO-ADD:0221522,2.98,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])COC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
44730,CO-ADD:0221596,2.98,c1(NC(=O)CN2C(=O)CCC2=O)sc(c3c1C#N)CCCC3,0.0
44731,CO-ADD:0221562,2.98,S(=O)(=O)(c1ccc(cc1)N\C=C(\C(=O)NC(N2)=S)/C2=O)Nc3ccccc3,0.0
44732,CO-ADD:0215822,2.98,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1OC)C(NCCO)=O,0.0
44733,CO-ADD:0215687,2.98,[N+](=O)([O-])c(ccc(c1\C=N\c(cn2)cnc2N)O)c1,0.0
44734,CO-ADD:0225696,2.98,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)Nc(cc4)ccc4C(OC)=O)=O,0.0
44735,CO-ADD:0166780,2.98,N1(c2cccc(c2)C(O)=O)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
44736,CO-ADD:0166029,2.98,C(=O)(N(C)c1ccccc1)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O,0.0
44737,CO-ADD:0166445,2.98,C(C(c1ccc(cc1)OCCCC)Nc(cc2)ccc2Br)C(=O)c3ccc(cc3)Br,0.0
44738,CO-ADD:0226869,2.98,C1(=N2)N(c3c(cccc3)N=C1N(CC4)CCS4)C(N2CC(=O)Nc(cc5)ccc5CCCC)=O,0.0
44739,CO-ADD:0226858,2.98,N1(c(ccs2)c2C(N3CCCC)=O)C3=NN(CC(=O)c4cccc(OC)c4)C1=O,0.0
44740,CO-ADD:0218070,2.98,n1c2c(oc1c3cccc(c3)\N=C/c(cc4)ccc4OCc5ccccc5)cccc2C,0.0
44741,CO-ADD:0218758,2.98,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3ccccc3Cl)c1,0.0
44742,CO-ADD:0218334,2.98,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(/C)\c2ccc(cc2)OC,0.0
44743,CO-ADD:0226727,2.98,N1(c(ccs2)c2C(N3CC(C)C)=O)C3=NN(Cc4ccccc4Cl)C1=O,0.0
44744,CO-ADD:0226735,2.98,N1(c(ccs2)c2C(N3CCc4ccccc4)=O)C3=NN(Cc5c(cccc5Cl)F)C1=O,0.0
44745,CO-ADD:0226743,2.98,N1(c(ccs2)c2C(N3Cc4ccccc4OC)=O)C3=NN(Cc5ccccc5)C1=O,0.0
44746,CO-ADD:0165983,2.98,C(=O)(Nc(cc1)ccc1NC(C)=O)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
44747,CO-ADD:0166131,2.98,C(=O)(NCC(=O)N\N=C\c1cc(I)ccc1O)c2ccco2,0.0
44748,CO-ADD:0166604,2.98,S(c1ccccc1)(=O)(=O)Oc(ccc(c23)OC(C=C2C)=O)c3,0.0
44749,CO-ADD:0166231,2.98,C(=O)(Oc1cccc(c1)\C=N\NC(c(cc2)ccn2)=O)c3ccco3,0.0
44750,CO-ADD:0164441,2.98,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,0.0
44751,CO-ADD:0217771,2.98,C(=N/O)(/n1c(C)cc(C)n1)\C(=N\O)\n2c(C)cc(C)n2,0.0
44752,CO-ADD:0164959,2.98,Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1.Cl,0.0
44753,CO-ADD:0164987,2.98,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.OS(=O)(=O)O,0.0
44754,CO-ADD:0164694,2.98,CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O,0.0
44755,CO-ADD:0215351,2.98,c1(c2N)c(nc(CCN(C)C3)c3c1c(ccs4)c4)sc2C#N,0.0
44756,CO-ADD:0215359,2.98,C(C(OCC)=O)(=C(CSc1c(ccc(c2cccs2)n1)C#N)OC(=C3C#N)N)C3c4ccccc4OC,0.0
44757,CO-ADD:0166705,2.98,C1(C#N)(C#N)[C@@H](c2ccc(cc2)F)[C@]([H])(C3)C(C(C#N)=C1N)=CCN3C(C)C,0.0
44758,CO-ADD:0166017,2.97,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(ccc(c2OC)OCC=C)c2,0.0
44759,CO-ADD:0226526,2.97,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCc(cc4)ccc4C,0.0
44760,CO-ADD:0226874,2.97,c12n(c3c(cccc3)nc1SCC(=O)Nc(cc4)ccc4C#N)c(nn2)C,0.0
44761,CO-ADD:0226563,2.97,C1(=NN(C2=O)CC#N)N2c(c3C(=O)N1Cc(cc4)ccc4F)cccc3,0.0
44762,CO-ADD:0226787,2.97,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cc4)ccc4OC)c(nn1)C(C)C,0.0
44763,CO-ADD:0218350,2.97,o1c(C)ccc1\C=N\NC(=O)c2ccc(cc2)Cl,0.0
44764,CO-ADD:0225652,2.97,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc(cc4)ccc4OCC)=O,0.0
44765,CO-ADD:0225676,2.97,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)NCc(cc4)ccc4SC)=O,0.0
44766,CO-ADD:0226732,2.97,N1(c(ccs2)c2C(N3CCc4ccccc4)=O)C3=NN(Cc5ccccc5Cl)C1=O,0.0
44767,CO-ADD:0215473,2.97,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(cc2)ccc2C(C)C,0.0
44768,CO-ADD:0215521,2.97,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)C(=O)Nc2cc(C)ccc2C)O)c1,0.0
44769,CO-ADD:0164464,2.97,Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O.Cl,0.0
44770,CO-ADD:0217003,2.97,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1Br)C)=O)Nc2cc(C)ccc2OC,0.0
44771,CO-ADD:0217676,2.97,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c2ccccc2OCCCCCC,0.0
44772,CO-ADD:0164726,2.97,CN(C)CC\C=C1\c2ccccc2COc2ccc(CC(O)=O)cc12.Cl,0.0
44773,CO-ADD:0164734,2.97,Fc1ccc(cc1)C(=O)C2CCN(CCn3c(=O)c4ccccc4[nH]c3=S)CC2.O.Cl,0.0
44774,CO-ADD:0164758,2.97,CC(=O)Nc1ccc(CC(O)=O)cc1,0.0
44775,CO-ADD:0164367,2.97,O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1,0.0
44776,CO-ADD:0164721,2.97,Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12,0.0
44777,CO-ADD:0166496,2.97,C(=O)(c(cc1)ccc1C(C)(C)C)NCc2cccc(cccc3)c23,0.0
44778,CO-ADD:0166030,2.97,C(Oc(cccc1C(=O)Nc(cc2)ccc2C)c1)(=S)NC(C)c3ccccc3,0.0
44779,CO-ADD:0166731,2.97,C1(=C(C=C(C)OC1=O)OC(=C2C#N)N)C2c3cc(Br)ccc3OC,0.0
44780,CO-ADD:0165951,2.97,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccc(cc2)Cl)Cc3cccc(cccc4)c34,0.0
44781,CO-ADD:0226579,2.97,c12n(C=CN(c3ccc(c(C)c3)C)C1=O)c(nn2)SCC(=O)Nc4ccccc4OC,0.0
44782,CO-ADD:0218366,2.97,C(=C/c(cc1)ccc1N(C)C)(/C(=O)NC(N2)=O)\C2=O,0.0
44783,CO-ADD:0218603,2.97,c1(\C=N\NC(=O)CC#N)c(cccc1Cl)Cl,0.0
44784,CO-ADD:0218265,2.97,c1(C(F)(F)F)[nH]c(c2n1)cccc2,0.0
44785,CO-ADD:0218289,2.97,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(cc2)ccc2OCCCC)c1,0.0
44786,CO-ADD:0226740,2.97,N1(c(ccs2)c2C(N3CCc(ccc(c4OC)OC)c4)=O)C3=NN(Cc(cc5)ccc5F)C1=O,0.0
44787,CO-ADD:0225581,2.97,N12C(C=CC(Sc3cccc(F)c3)=N1)=NN(CC(=O)Nc(ccc(c45)OCCO4)c5)C2=O,0.0
44788,CO-ADD:0225266,2.97,N12C(C=CC(SC(C)C)=N1)=NN(CC(=O)Nc3ccc(cc3F)Cl)C2=O,0.0
44789,CO-ADD:0215425,2.97,N(\C(=C/c1ccccc1OCCCCCCC)\C(O2)=O)=C2c3ccccc3,0.0
44790,CO-ADD:0215537,2.97,S(=O)(=O)(c1ccc(cc1)C)Oc2cc(ccc2\C=N\NC(=O)c(cc3)ccc3[N+](=O)[O-])OS(=O)(=O)c4ccc(cc4)C,0.0
44791,CO-ADD:0215449,2.97,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\Nc3ccccc3,0.0
44792,CO-ADD:0214905,2.97,N1(c2ccc(c(C)c2)C)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
44793,CO-ADD:0215593,2.97,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(=O)Nc2cccc(OC)c2,0.0
44794,CO-ADD:0215129,2.97,n1(c2c(n3)cccc2)c3c(c(C)c(\C=N\c4ccccc4[N+](=O)[O-])c1O)C#N,0.0
44795,CO-ADD:0219449,2.97,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc2ccccc2C,0.0
44796,CO-ADD:0221154,2.97,C1(Sc2ccc(\C=N\NC(COc3ccccc3C)=O)o2)=Nc(cccc4)c4C(=O)N1c5ccccc5.[Na+],0.0
44797,CO-ADD:0219297,2.97,C(=O)(Nc(cc1)ccc1C(OCC)=O)Nc2cccc(C)c2,0.0
44798,CO-ADD:0225939,2.97,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)N(CC4)CCN4c5ccc(cc5)F)C2=O,0.0
44799,CO-ADD:0226843,2.97,C1(=N2)N(c3c(cccc3)N=C1Oc4cccc(C)c4C)C(N2CC(=O)Nc(cccc5C#N)c5)=O,0.0
44800,CO-ADD:0226543,2.96,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCc4ccccc4Cl,0.0
44801,CO-ADD:0218406,2.96,N1(CCO)C(=O)c2c(c3C1=O)c(ccc2)c(cc3)Br,0.0
44802,CO-ADD:0218371,2.96,[N+](=O)([O-])\N=C(/N)\N\N=C\c1ccccc1O,0.0
44803,CO-ADD:0225282,2.96,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc(cc3OC)cc(c3OC)OC)C2=O,0.0
44804,CO-ADD:0226650,2.96,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4Br,0.0
44805,CO-ADD:0226450,2.96,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4c(C)cc(c(C)c4)C,0.0
44806,CO-ADD:0215298,2.96,c1(NC(CSc2nc(cc(C)c2C#N)C(F)(F)F)=O)nnc(CC)s1,0.0
44807,CO-ADD:0215698,2.96,c1(NC(=O)c2ccccc2OC)sc(c3c1C#N)CCCC3,0.0
44808,CO-ADD:0215738,2.96,N1(CC(CC1=O)C(=O)N\N=C\c2cccc(Cl)c2Cl)c3cc(C)ccc3C,0.0
44809,CO-ADD:0215818,2.96,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1CC)C(NCCO)=O,0.0
44810,CO-ADD:0215704,2.96,[N+](=O)([O-])c(cc1)ccc1c(cc2)ccc2NC(=O)c3ccccc3F,0.0
44811,CO-ADD:0226559,2.96,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)SCc4ccccc4Cl,0.0
44812,CO-ADD:0226516,2.96,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)c4ccc(cc4)OCC,0.0
44813,CO-ADD:0218119,2.96,n12c(cc(C)n1)C=C(NC2=N)C,0.0
44814,CO-ADD:0218160,2.96,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCN3c4ccccc4)C1=O,0.0
44815,CO-ADD:0218636,2.96,C(=O)(Nc(cc1)ccc1F)C\C(\C)=N\NC(=O)c2ccc(cc2)F,0.0
44816,CO-ADD:0225594,2.96,N12C(=NN(CC(=O)Nc3ccccc3CC)C1=O)N(C(=O)c(n(cc4c5ccccc5)C)c24)C,0.0
44817,CO-ADD:0225517,2.96,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)NCc(cc5)ccc5Cl)=O,0.0
44818,CO-ADD:0225621,2.96,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc(cc4)ccc4Cl)=O,0.0
44819,CO-ADD:0215379,2.96,C(C(OCC)=O)(=C(CSc1nc(N)c(c(c2ccc(cc2)F)c1C#N)C#N)OC(=C3C#N)N)C3c4ccccc4Cl.C(=O)O,0.0
44820,CO-ADD:0215507,2.96,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
44821,CO-ADD:0215451,2.96,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)N\N=C(/C)\c4cccc(Br)c4,0.0
44822,CO-ADD:0214902,2.96,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc(cc4)ccc4C,0.0
44823,CO-ADD:0215614,2.96,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(c(OC)ccc2[N+](=O)[O-])c2)c3ccccc3OC,0.0
44824,CO-ADD:0215511,2.96,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c(ccc(c2OC)OCc(cc3)ccc3Br)c2,0.0
44825,CO-ADD:0215412,2.96,c(C#N)(c1c2ccccc2)c(SCc(ccc(c3Cl)Cl)c3)nc(N)c1C#N,0.0
44826,CO-ADD:0215420,2.96,C(\C(\CC1)=C\c(cc2)ccc2F)(O3)=C1C(C(C#N)=C3N)c4ccc(cc4)F,0.0
44827,CO-ADD:0166482,2.96,C(NCCc1ccccc1)(=O)c2ccc(cc2)Oc3ccccc3,0.0
44828,CO-ADD:0166470,2.96,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)C(=O)Nc3ccccc3OCC,0.0
44829,CO-ADD:0166675,2.96,c1(C#N)c(C)c(C)c(nc1SCC(=O)Nc2cccc(c2)NC(C)=O)C,0.0
44830,CO-ADD:0166186,2.96,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(cc3)ccc3\C=N\NC(=O)Cc4cccc(cccc5)c45,0.0
44831,CO-ADD:0166125,2.96,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2cc(Cl)ccc2O,0.0
44832,CO-ADD:0165841,2.96,C(C1)(C(C1(C)C)CC2)[C@H](CSC)CCC(O3)C23C,0.0
44833,CO-ADD:0215328,2.96,c1(C#N)c(c2ccc(cc2)C)c3c(nc1SCC(=O)Nc4cccc(C)c4)CCCC3,0.0
44834,CO-ADD:0226659,2.96,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)NCc4cccc(OC)c4OC,0.0
44835,CO-ADD:0225312,2.96,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)N5CCc(c6C5)cccc6,0.0
44836,CO-ADD:0225828,2.96,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)Nc4ccc(cc4C)C)=O,0.0
44837,CO-ADD:0226596,2.96,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4CC,0.0
44838,CO-ADD:0226588,2.96,c1(nnc2SC(CC)C(=O)Nc3ccccc3C)n2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
44839,CO-ADD:0218552,2.96,C(=C\c(c1c([nH]2)cccc1)c2)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
44840,CO-ADD:0218600,2.96,C(=O)(N\N=C\c1cccc(Br)c1)c2ccc(c(OC)c2)OCc3cccc(Br)c3,0.0
44841,CO-ADD:0218048,2.96,n1nc(c2n1C\N=C\c(ccc(c3OC)OC)c3)cccc2,0.0
44842,CO-ADD:0225533,2.96,c12n(c3c(cccc3)nc1SCc4c(C)oc(c5ccc(cc5)OCC)n4)c(nn2)C,0.0
44843,CO-ADD:0226725,2.96,N1(c(ccs2)c2C(N3CCC(C)C)=O)C3=NN(Cc4c(cccc4Cl)F)C1=O,0.0
44844,CO-ADD:0225690,2.96,C1(=N2)N(C=CN=C1Oc3cccc(C)c3C)C(N2CC(NCCCc4ccccc4)=O)=O,0.0
44845,CO-ADD:0225507,2.96,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc(cccc5C(C)=O)c5)=O,0.0
44846,CO-ADD:0215160,2.96,C1(C#N)(C#N)[C@H](c2ccc(c(OC)c2)OC)[C@H](N3[C@]1([H])C=Cc(c34)cc(cc4)Cl)C(c5ccccc5)=O,0.0
44847,CO-ADD:0226472,2.96,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4Br,0.0
44848,CO-ADD:0220859,2.96,C(OCCCCC)(=O)c1ccc(cc1)NC(CCCCCCCCC)=O,0.0
44849,CO-ADD:0220283,2.96,c1(cc(C)cc(I)c1O)\C=N\c2ccc(cc2O)C,0.0
44850,CO-ADD:0221867,2.96,N(c1c(C)cccc1C)C(=O)C(=O)NCc2ccccc2Cl,0.0
44851,CO-ADD:0225948,2.96,N12C(C=CC(c3ccccc3)=N1)=NN(Cc(cc4F)cc(c4)F)C2=O,0.0
44852,CO-ADD:0225959,2.96,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(Cc(ccc(c45)OCO4)c5)C2=O,0.0
44853,CO-ADD:0218640,2.96,C(=O)(c1cccc(Cl)c1)N\N=C(/C)\CC(=O)Nc(cc2)ccc2F,0.0
44854,CO-ADD:0218099,2.96,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)Sc(cc3)ccc3C,0.0
44855,CO-ADD:0218115,2.96,C(=O)(c1cccs1)Nc2cccc(C)n2,0.0
44856,CO-ADD:0218255,2.96,C1(C2c3ccc(cc3)Cl)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
44857,CO-ADD:0226479,2.96,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)NC(C)C,0.0
44858,CO-ADD:0226215,2.95,S(=O)(=O)(N(Cc(cc1)ccc1F)c2cccc(OC)c2)c(ccc(n3c4)nn4)c3,0.0
44859,CO-ADD:0225264,2.95,N12C(C=CC(SC(C)C)=N1)=NN(CC(=O)Nc3ccc(cc3Cl)C)C2=O,0.0
44860,CO-ADD:0226660,2.95,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)N(CC4)CCN4c5ccc(cc5)F,0.0
44861,CO-ADD:0215603,2.95,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc2ccc(c3c2\C=N\NC(=O)c4ccc(cc4)N)cccc3,0.0
44862,CO-ADD:0215538,2.95,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\NC(=O)c3ccc(cc3)O,0.0
44863,CO-ADD:0215578,2.95,n1c(c(ccc(c2Cl)Cl)c2)csc1N\N=C(/CC)\c3ccc(cc3)Cl,0.0
44864,CO-ADD:0214948,2.95,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2F)(=S)Nc(cc3)ccc3I,0.0
44865,CO-ADD:0215565,2.95,C(=O)(c1ccc(cc1)OC)Oc2cc(ccc2\C=N\c(cc3)ccc3I)OC(=O)c4ccc(cc4)OC,0.0
44866,CO-ADD:0227003,2.95,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc4c(CC)cccc4C)C2=O,0.0
44867,CO-ADD:0226443,2.95,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4ccc(cc4)C,0.0
44868,CO-ADD:0226839,2.95,C1(=N2)N(c3c(cccc3)N=C1Oc4ccccc4C)C(N2CC(=O)Nc5ccccc5C(F)(F)F)=O,0.0
44869,CO-ADD:0225640,2.95,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4ccc(cc4F)Br)=O,0.0
44870,CO-ADD:0226021,2.95,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc(ccc(c45)OCO4)c5)=O,0.0
44871,CO-ADD:0226880,2.95,c12n(c3c(cccc3)nc1SCC(=O)Nc(ccc(c45)OCCO4)c5)c(nn2)C,0.0
44872,CO-ADD:0218271,2.95,[N+](=O)([O-])c1cccc(c1)\C=N/NC(Cc2ccccc2)=O,0.0
44873,CO-ADD:0218407,2.95,N1(c2cccc(Br)c2)C(=O)c3c(c(ccc4N5CCCCC5)C1=O)c4ccc3,0.0
44874,CO-ADD:0218794,2.95,N(=C(/CC)\c1ccccc1)/NC(CCCc2ccccc2)=O,0.0
44875,CO-ADD:0218802,2.95,C(CCC(NC)=O)(=O)Nc(cc1)ccc1OC,0.0
44876,CO-ADD:0227004,2.95,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc(ccc(c45)CCC4)c5)C2=O,0.0
44877,CO-ADD:0226692,2.95,N1(c2c(ccc(c2)C(=O)NC(C)CC)C(N3CCC(C)C)=O)C3=NN(CC#N)C1=O,0.0
44878,CO-ADD:0215621,2.95,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(cccc3)c23)\C=N\Nc(cc4)ccc4[N+](=O)[O-],0.0
44879,CO-ADD:0215390,2.95,c1(C#N)c(SC\C=C\c2ccccc2)nc(c3c1c4cccs4)CCCC3,0.0
44880,CO-ADD:0215824,2.95,c1(cc(OC)ccc1NC(=O)C\C(\C)=N\NC(=O)C(NCCO)=O)[N+](=O)[O-],0.0
44881,CO-ADD:0214909,2.95,N1(c2ccc(cc2)Br)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
44882,CO-ADD:0165905,2.95,C(Oc(cccc1C(=O)Nc(cc2)ccc2Br)c1)(=S)Nc3cccc(C)c3C,0.0
44883,CO-ADD:0225923,2.95,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc4cccc(Cl)c4)C2=O,0.0
44884,CO-ADD:0225292,2.95,N12C(C=CC(S(=O)(=O)C(C)(C)C)=N1)=NN(CC(=O)N(CC3)CCN3c4ccc(cc4)OC)C2=O,0.0
44885,CO-ADD:0225651,2.95,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc4ccccc4OCC)=O,0.0
44886,CO-ADD:0226739,2.95,N1(c(ccs2)c2C(N3CCc(ccc(c4OC)OC)c4)=O)C3=NN(Cc5ccccc5Cl)C1=O,0.0
44887,CO-ADD:0226984,2.95,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(CC(=O)NC(C)(C)C)C1=O,0.0
44888,CO-ADD:0221834,2.95,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCC(OCC)=O)c3ccccc3,0.0
44889,CO-ADD:0219390,2.95,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCC(=O)Nc2cccc(Cl)c2)=O)O)c1,0.0
44890,CO-ADD:0219422,2.95,C(=O)(N\N=C(/C)\C)C(Cc1ccccc1)NC(c2ccccc2)=O,0.0
44891,CO-ADD:0226099,2.95,S(=O)(=O)(N(Cc1cccc(Cl)c1)c2ccc(cc2)F)c3cccn(cnn4)c34,0.0
44892,CO-ADD:0218322,2.95,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
44893,CO-ADD:0215657,2.95,N1(c2ccccc2)CC(CC1=O)C(=O)N\N=C\c(cc3)ccc3Br,0.0
44894,CO-ADD:0215705,2.95,c1(C#N)c(C)c(sc1\N=C\c(cc2)ccc2[N+](=O)[O-])C,0.0
44895,CO-ADD:0166704,2.95,C1(C#N)(C#N)C(c2ccccc2C(F)(F)F)C(C3)C(C(C#N)=C1N)=CCN3C(OCC)=O,0.0
44896,CO-ADD:0166336,2.95,c1(C(O)=O)[nH]c(c(C)c1C(C)=O)C,0.0
44897,CO-ADD:0166656,2.95,C1(C#N)=C(N)OC(=C(C(C)=O)C1c2cccc(c2)OCc3ccccc3)C,0.0
44898,CO-ADD:0165842,2.95,C(C1)(C(C1(C)C)CC2)[C@H](CSCC)CCC(O3)C23C,0.0
44899,CO-ADD:0166520,2.95,C(NCCOc(cc1)ccc1OC)(=S)Nc2cccc(cccc3)c23,0.0
44900,CO-ADD:0164737,2.95,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1,0.0
44901,CO-ADD:0164753,2.95,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.OC(=O)/C=C/C(=O)O,0.0
44902,CO-ADD:0164761,2.95,CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12,0.0
44903,CO-ADD:0164419,2.95,NC(=O)c1cccnc1,0.0
44904,CO-ADD:0164835,2.95,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12.Cl,0.0
44905,CO-ADD:0164859,2.95,CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1,0.0
44906,CO-ADD:0217920,2.95,S(=O)(=O)(c1ccc(cc1)NC(CCCCC)=O)Nc2sccn2,0.0
44907,CO-ADD:0218496,2.95,C(CSc1ccccc1C)(=O)N\N=C\c(cc2)ccc2F,0.0
44908,CO-ADD:0217857,2.95,[C@@]1(C#N)(C#N)[C@@]([H])(c2ccc(c(Cl)c2)Cl)[C@]([H])(C3)C(C(C#N)=C1N)=CCN3CCC,0.0
44909,CO-ADD:0217913,2.94,S(=O)(=O)(c1ccc(cc1)NC(=O)C(F)(F)F)Nc2nnc(CC)s2,0.0
44910,CO-ADD:0226633,2.94,C1(=NN(C2=O)Cc3ccccc3)N2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
44911,CO-ADD:0226485,2.94,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc(ccc(c45)OCCO4)c5,0.0
44912,CO-ADD:0218400,2.94,c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])c1NCCCO,0.0
44913,CO-ADD:0225277,2.94,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)N3CCOc(ccc(C)c4)c34)C2=O,0.0
44914,CO-ADD:0226603,2.94,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc4ccc(cc4Cl)C,0.0
44915,CO-ADD:0225307,2.94,C1(=N2)N(c3c(cccc3)N=C1Oc(c4)cc(cc4C)C)C(N2CC(=O)Nc(ccc(c56)OCO5)c6)=O,0.0
44916,CO-ADD:0214959,2.94,C(=O)(N1CCC(CC1)C)C(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
44917,CO-ADD:0215647,2.94,S(CC)(=O)(=O)Nc(cc1)ccc1Cc(cc2)ccn2,0.0
44918,CO-ADD:0166629,2.94,C(O)(C(O)=O)c1ccco1,0.0
44919,CO-ADD:0166036,2.94,C(=O)(N(C)c1ccccc1)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
44920,CO-ADD:0166448,2.94,C(F)(F)(C(F)(F)COc1ccccc1\N=C\c(c2)c(O)c(cc2[N+](=O)[O-])Br)C(F)(F)C(F)F,0.0
44921,CO-ADD:0166702,2.94,C1(C#N)(C#N)[C@@H](c2ccccc2C(F)(F)F)[C@@]3([H])C(C(C#N)=C1N)=CCCC3,0.0
44922,CO-ADD:0166063,2.94,C(=N\NC(=O)Cc1cccc(cccc2)c12)(/c3c(N4)ccc(Br)c3)\C4=O,0.0
44924,CO-ADD:0164875,2.94,CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1,0.0
44925,CO-ADD:0164901,2.94,C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O,0.0
44926,CO-ADD:0164483,2.94,Nc1ccc(O)c(c1)C(O)=O,0.0
44927,CO-ADD:0164566,2.94,CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)OCCl,0.0
44928,CO-ADD:0164590,2.94,O=c1c(c1-c1ccccc1)-c1ccccc1,0.0
44929,CO-ADD:0164598,2.94,CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N,0.0
44930,CO-ADD:0218505,2.94,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)Nc(cc2)ccc2c3ccccc3,0.0
44931,CO-ADD:0218425,2.94,S(=O)(=O)(c1ccc(c(N)c1)O)c2ccc(c(N)c2)O,0.0
44932,CO-ADD:0218033,2.94,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c(c(O)ccc4C(O)=O)c4,0.0
44933,CO-ADD:0218482,2.94,C(F)(F)(C(F)(F)C(F)(F)C(=O)C\C(\C)=N/NC(=O)c1ccc(cc1)Br)C(F)(F)C(F)(F)C(F)(F)F,0.0
44934,CO-ADD:0217938,2.94,N1(CC2CC2)C(=O)c3c(cccc3)C1=O,0.0
44935,CO-ADD:0215124,2.94,C(=C\Nc1c(O)ccc(Cl)c1)(/C(=O)NC(N2)=S)\C2=O,0.0
44936,CO-ADD:0215828,2.94,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1Cl)C(NCCO)=O,0.0
44937,CO-ADD:0226644,2.94,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4cccc(Cl)c4,0.0
44938,CO-ADD:0220205,2.94,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(ccc(c3C)C)c3)[N+](=O)[O-],0.0
44939,CO-ADD:0221167,2.94,n1c(c(cc2Br)cc(c2O)Br)[nH]c(c3c(cccc3)c(cccc4)c45)c15,0.0
44940,CO-ADD:0166000,2.94,C(c1ccccc1)(=O)N\N=C\c2ccccc2OCCCC,0.0
44941,CO-ADD:0166495,2.94,C(=O)(N\N=C\c1c(ccc(cccc2)c12)OCc3ccccc3)C(=O)Nc4ccccc4OCC,0.0
44942,CO-ADD:0166487,2.94,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc3cccc(Cl)c3Cl)Nc4cccc(Cl)c4Cl,0.0
44943,CO-ADD:0166776,2.94,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc4cccc(C)c4,0.0
44944,CO-ADD:0166778,2.94,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)NCc4ccccc4,0.0
44945,CO-ADD:0166374,2.94,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)NC(C)=O)Nc2cccc(Cl)c2C,0.0
44946,CO-ADD:0166223,2.94,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc2ccccc2C#N)=O,0.0
44947,CO-ADD:0215683,2.94,c1(c2Br)c(OC(=O)S1)c(c(Br)c2OC(OC)=O)C,0.0
44948,CO-ADD:0165013,2.94,CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1.Cl,0.0
44949,CO-ADD:0164544,2.94,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)C(CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C,0.0
44950,CO-ADD:0164657,2.94,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.OC(=O)CC(O)(CC(=O)O)C(=O)O,0.0
44951,CO-ADD:0165045,2.94,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C([O-])=O.[K+],0.0
44952,CO-ADD:0164570,2.94,CCN(CC)CCOc1ccc(cc1)C(=C(Cl)c1ccccc1)c1ccccc1.OC(=O)CC(O)(CC(=O)O)C(=O)O,0.0
44953,CO-ADD:0217977,2.94,C12(\C=N\c(cc3)ccc3O)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OCC)=O)c(cccc7)c27,0.0
44954,CO-ADD:0218034,2.94,C1(C)=CC(=O)Oc(ccc(OC)c2)c12,0.0
44955,CO-ADD:0215341,2.93,n(c1N)c(SCC(=O)Nc2c(Br)cc(cn2)Br)c(c(SC)n1)C#N,0.0
44956,CO-ADD:0226415,2.93,C1(=NN(C2=O)Cc3cccc(F)c3)N2C=CN(c4ccccc4)C1=O,0.0
44957,CO-ADD:0226422,2.93,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCc4ccccc4Cl,0.0
44958,CO-ADD:0218509,2.93,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)Nc2ccccc2CC,0.0
44959,CO-ADD:0219309,2.93,C1(N(CC2)CCO2)=N\C(=N/N=C/c(cc3)ccc3Br)\NC(Nc4ccccc4)=N1,0.0
44960,CO-ADD:0221805,2.93,N(=C\c1cccc(OC)c1)/NC(CCc2ccccc2)=O,0.0
44961,CO-ADD:0226047,2.93,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4)C(N2CC(=O)Nc5ccccc5OCC)=O,0.0
44962,CO-ADD:0226057,2.93,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4C)C(N2CC(=O)NCc(cc5F)cc(c5)F)=O,0.0
44963,CO-ADD:0218126,2.93,c1(SCc2ccccn2)[nH]c(c3n1)cccc3,0.0
44964,CO-ADD:0166793,2.93,S(=O)(=O)(c1ccc(cc1)N\C=C(/C(=O)NC(N2)=S)\C2=O)Nc(cc3)ccc3OCC,0.0
44965,CO-ADD:0166326,2.93,N(c1ccc(cn1)Cl)C(OCC)=O,0.0
44966,CO-ADD:0166587,2.93,C(COc(cc1)ccc1Br)(=O)N\N=C\c2ccccc2OCC#C,0.0
44967,CO-ADD:0166544,2.93,N1(\N=C\c(cc2)ccc2F)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
44968,CO-ADD:0166586,2.93,C1(C(=O)Oc(cc2)ccc2C)C(C13)CCCC3,0.0
44969,CO-ADD:0166053,2.93,C(CSCc1ccccc1Cl)(=O)N\N=C\c(ccc(c2OC)OCC=C)c2,0.0
44970,CO-ADD:0166069,2.93,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
44971,CO-ADD:0166474,2.93,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(NCCCC)=O,0.0
44972,CO-ADD:0166143,2.93,c1(ccc(\C=N/NC(=O)Cc2cccc(cccc3)c23)o1)c4cc(Cl)ccc4Cl,0.0
44973,CO-ADD:0166677,2.93,c1(C#N)c(C)c(C)c(nc1SCC(=O)Nc(cc2)ccc2C(N)=O)C,0.0
44974,CO-ADD:0215323,2.93,c(C#N)(c1c2cccs2)c(SCC(=O)Nc(cccc3[N+](=O)[O-])c3)nc(N)c1C#N,0.0
44975,CO-ADD:0215083,2.93,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)C(C)(C)Oc(cc2)ccc2CC,0.0
44976,CO-ADD:0166603,2.93,C1(C(=O)NNC(CC)=O)CC1c2ccccc2,0.0
44978,CO-ADD:0165007,2.93,CCCNC(C)C(=O)Nc1ccccc1C.Cl,0.0
44980,CO-ADD:0164666,2.93,CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)c1ccccc1.[Br-],0.0
44981,CO-ADD:0215765,2.93,C(C(=O)OC(C)(C)C)C(NC(CNC(OCc1ccccc1)=O)=O)C(O)=O,0.0
44982,CO-ADD:0215101,2.93,C(=C/NCCCOC)(/C(=O)NC(N1)=S)\C1=O,0.0
44983,CO-ADD:0215662,2.93,C(=O)(N\N=C\c(cc1)ccc1C)C(=O)Nc(cc2)ccc2OCCCCC,0.0
44984,CO-ADD:0225527,2.93,n(c1c(cccc1)nc2SCc3c(C)oc(c4ccc(cc4)OC(C)C)n3)(c(C(C)C)nn5)c25,0.0
44985,CO-ADD:0225486,2.93,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)NCc(cc5)ccc5OC)=O,0.0
44986,CO-ADD:0225654,2.93,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc(ccc(c45)OCCO4)c5)=O,0.0
44987,CO-ADD:0218199,2.93,C1(c(cc2)ccc2[N+](=O)[O-])N(c3ccc(cc3)C)CCN1c4ccc(cc4)C,0.0
44988,CO-ADD:0218631,2.93,[N+](=O)([O-])c1cccc(c1)\C(\C)=N\NC(=O)\C(=C/c(cc2)ccc2F)\NC(c3ccccc3)=O,0.0
44989,CO-ADD:0218116,2.93,C(=O)(Nc(cc1)ccn1)c2cccs2,0.0
44990,CO-ADD:0218237,2.93,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
44991,CO-ADD:0218373,2.93,C(=C/c1ccc(cc1OC)OC)(/C2=O)\C(=O)NC(=S)N2,0.0
44992,CO-ADD:0218309,2.93,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c2ccc(cc2)NC(CCC)=O,0.0
44993,CO-ADD:0166344,2.93,C(=O)(N\N=C\c(cc1)ccc1C)C(=O)Nc2c(C)cccc2C,0.0
44994,CO-ADD:0166276,2.93,c1(ccccc1NC(=O)c2cccs2)C(N)=O,0.0
44995,CO-ADD:0166647,2.93,C1(C2c3ccc(cc3)OC)=C(c4c(cccc4)OC1=O)OC(N)=C2[N+](=O)[O-],0.0
44996,CO-ADD:0166358,2.93,C(=O)(N\N=C\c(cc1)ccc1C)C(NCCC)=O,0.0
44997,CO-ADD:0166404,2.93,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N/NC(CSCc2ccccc2Cl)=O,0.0
44998,CO-ADD:0165852,2.93,[C@@H]1(C[C@@H]2S(=O)NC(C(F)(F)F)c(cccc3)c3O)[C@@H](C1(C)C)C[C@H]2C,0.0
44999,CO-ADD:0166528,2.93,C(NCCOCCCCCCCC)(=O)c(cccc1C(NCCOCCCCCCCC)=O)c1,0.0
45000,CO-ADD:0166643,2.93,c1(sc(c2c1C#N)CCC2)NC(O)(c3ccccc3)C(C4)(C5)CN(CN5C6)CN46,0.0
45001,CO-ADD:0165023,2.93,CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(Cl)c1Cl)C(=O)OC,0.0
45002,CO-ADD:0164532,2.93,Clc1ccc(cc1)C(=O)NCCN1CCOCC1,0.0
45003,CO-ADD:0164564,2.93,CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC,0.0
45004,CO-ADD:0164682,2.93,OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1.Cl,0.0
45005,CO-ADD:0164929,2.93,CN1CC[C@]23CCCC[C@@H]3[C@@H]1Cc4ccc(O)cc42.OC(C(O)C(=O)O)C(=O)O,0.0
45006,CO-ADD:0164537,2.92,CC1=NS(=O)(=O)c2cc(Cl)ccc2N1,0.0
45007,CO-ADD:0164569,2.92,CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)[N+]([O-])=O,0.0
45008,CO-ADD:0215694,2.92,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c2c3c(cccc3)ccc2OC(=O)c4cccc(Cl)c4)c1,0.0
45009,CO-ADD:0218486,2.92,[N+](=O)([O-])\N=C(/N\N=C\c1ccco1)\Nc2ccccc2,0.0
45010,CO-ADD:0217926,2.92,c1(SCCN2CCCCC2)[nH]c3c(ccc(OCCCCCCCCCCCC)c3)n1.Cl.Cl,0.0
45011,CO-ADD:0222100,2.92,c1(c(OCCCCNC(=O)c2cccc(cccc3)c23)ccc(C(C)(C)CC)c1)C(C)(C)CC,0.0
45012,CO-ADD:0222548,2.92,N(=C\c1cc(Br)cc(OC)c1O)/c2c(C)cccc2O,0.0
45013,CO-ADD:0218157,2.92,N1(c2cccc(Br)c2)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Br,0.0
45014,CO-ADD:0218565,2.92,C(=O)(Oc(ccc(c1C)C)c1)Nc2cccc(C)c2,0.0
45015,CO-ADD:0218570,2.92,N(=C\c(cccn1)c1)/N(c2ccccc2)Cc3ccccc3,0.0
45016,CO-ADD:0218186,2.92,C(=O)(Nc1ccc(cc1Br)C)c2ccccc2F,0.0
45017,CO-ADD:0218626,2.92,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(ccc(c3OC)OCc(cc4)ccc4Br)c3,0.0
45018,CO-ADD:0166242,2.92,[N+](=O)([O-])c(cccc1C(=O)Nc2ccc(cc2Cl)NC(=O)c(cccc3[N+](=O)[O-])c3)c1,0.0
45019,CO-ADD:0166283,2.92,C(=O)(C(=O)NCC1CCCO1)Nc2ccc(cc2C)C,0.0
45020,CO-ADD:0166737,2.92,c1(non2)c2nc(NCCc3ccccc3)c(Nc(cc4)ccc4OC)n1,0.0
45021,CO-ADD:0165997,2.92,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
45022,CO-ADD:0164972,2.92,Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1.Cl.Cl,0.0
45023,CO-ADD:0164374,2.92,CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl,0.0
45024,CO-ADD:0164806,2.92,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O,0.0
45025,CO-ADD:0164933,2.92,CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC,0.0
45026,CO-ADD:0164931,2.92,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl,0.0
45027,CO-ADD:0215702,2.92,C(=O)(c1ccccc1NC(c2ccccc2)=O)Nc3c(Br)cc(cc3Br)OC,0.0
45028,CO-ADD:0215326,2.92,c1(C#N)c(c2ccc(cc2)C)c3c(nc1SCC(=O)NCc4ccccc4)CCCC3,0.0
45029,CO-ADD:0218518,2.92,C(=O)(N\N=C\c(cc1)ccc1F)C(=O)Nc(cc2)ccc2F,0.0
45030,CO-ADD:0217998,2.92,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(ccc2c3ccc(cc3)I)o2,0.0
45031,CO-ADD:0222362,2.92,n1c2c(oc1c3ccccc3)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
45032,CO-ADD:0222582,2.92,S(=O)(=O)(c1ccc(cc1)OCC(C)C)NC(=O)NCc(cc2)ccc2OCCCC,0.0
45033,CO-ADD:0218634,2.92,C(=C\c(cc1)ccc1F)(/NC(c2ccccc2)=O)\C(=O)N\N=C(/C)\c3ccccc3O,0.0
45034,CO-ADD:0218074,2.92,s1c(N)nnc1CC(=O)N\N=C\c2ccccc2Cl,0.0
45035,CO-ADD:0218114,2.92,C1(=O)NCC(CCOC2(C)C)(C2)O1,0.0
45036,CO-ADD:0218217,2.92,c1(cc(Br)ccc1O)C(=O)N\N=C\c2cccc(OC)c2,0.0
45037,CO-ADD:0218252,2.92,c(\C=N\NC(=O)c(cccn1)c1)(cc(OCO2)c2c3)c3Br,0.0
45038,CO-ADD:0218348,2.92,c1(ccccc1OC)C(=O)N\N=C\c2ccco2,0.0
45039,CO-ADD:0218404,2.92,n1(c2c(n3)cccc2)c3c(c(c4ccc5)c5C1=O)ccc4N(CC6)CCO6,0.0
45040,CO-ADD:0218003,2.92,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccco2)\C=N\NC(=O)\C(\NC(c3ccccc3)=O)=C/c4cccs4,0.0
45041,CO-ADD:0218493,2.92,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c1cc(OC)ccc1OC,0.0
45042,CO-ADD:0225497,2.92,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5c(C)cc(cc5C)C)=O,0.0
45043,CO-ADD:0166369,2.92,C(Oc(cccc1C(=O)Nc(cc2)ccc2Br)c1)(=S)Nc3ccccc3,0.0
45044,CO-ADD:0166304,2.92,[N+](=O)([O-])c(cccc1C(=O)Nc(cc2)ccc2N(C)C)c1,0.0
45045,CO-ADD:0166028,2.92,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(cc2)ccc2Cl,0.0
45046,CO-ADD:0166478,2.92,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)C(=O)Nc3cccc(C)c3,0.0
45047,CO-ADD:0166562,2.92,C(=O)(N\N=C\c1c(ccc(cccc2)c12)OCc3ccccc3)C(NCCCC)=O,0.0
45048,CO-ADD:0166699,2.92,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c(cc2)ccc2c3ccccc3,0.0
45049,CO-ADD:0166576,2.92,c1(C(OCC)=O)cc(oc1C)C=O,0.0
45050,CO-ADD:0164392,2.92,COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1OC,0.0
45051,CO-ADD:0164808,2.92,OC(=O)c1cccnc1,0.0
45052,CO-ADD:0164408,2.92,CCOc1ccc2ccccc2c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O.[Na+],0.0
45053,CO-ADD:0164494,2.92,CC(=O)Nc1nnc(s1)S(N)(=O)=O,0.0
45054,CO-ADD:0164868,2.92,Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl,0.0
45055,CO-ADD:0164924,2.92,CCOC(=O)C1(CCCCCCOc2ccc(Cl)cc2)CO1,0.0
45056,CO-ADD:0164947,2.92,CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1.Cl.Cl,0.0
45057,CO-ADD:0164595,2.92,NCC(=O)CCC(O)=O,0.0
45058,CO-ADD:0215342,2.92,n(c1N)c(SCC(=O)CC(OC(C)C)=O)c(c(SC)n1)C#N,0.0
45059,CO-ADD:0215742,2.92,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)N\N=C\c3ccccc3O,0.0
45060,CO-ADD:0225560,2.92,N12C(C=CC(C(=O)Nc(cc3)ccc3OC)=C1)=NN(CC(=O)Nc(cc4)ccc4CCCC)C2=O,0.0
45061,CO-ADD:0218471,2.92,C(=O)(NCc1ccccc1)\C=C\c(ccc(c2OC)OC)c2,0.0
45062,CO-ADD:0222236,2.91,c1(ccc(cc1OC)OC)\C(\C)=N\NC(CNc(ccc(c23)cccc2)c3)=O,0.0
45063,CO-ADD:0222405,2.91,C(=O)(Oc1cccc(c1)\C=N\NC(c(cc2)ccn2)=O)c3cccc(Br)c3,0.0
45064,CO-ADD:0226569,2.91,C(=NNC1=S)(C2=O)N1C=CN2c3cccc(Cl)c3C,0.0
45065,CO-ADD:0225441,2.91,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5c(C)ccc(F)c5)=O,0.0
45066,CO-ADD:0218657,2.91,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c(cc3)ccc3OC(C)C)c1,0.0
45067,CO-ADD:0218581,2.91,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)C(C)Oc(cc2)ccc2Br,0.0
45068,CO-ADD:0218069,2.91,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccccc2,0.0
45069,CO-ADD:0225617,2.91,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccccc4F)=O,0.0
45070,CO-ADD:0226745,2.91,N1(c(ccs2)c2C(N3Cc4ccccc4OC)=O)C3=NN(Cc(cc5)ccc5Br)C1=O,0.0
45071,CO-ADD:0225474,2.91,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc5ccccc5C(OCC)=O)=O,0.0
45072,CO-ADD:0225663,2.91,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc(ccc(c4Cl)OC)c4)=O,0.0
45073,CO-ADD:0166683,2.91,C(C(OCC)=O)(C1c2ccc(cc2)OCc3ccccc3)=C(CSc4nc(C)c(c(C)c4C#N)C)OC(N)=C1C#N,0.0
45074,CO-ADD:0166019,2.91,S(=O)(=O)(c1ccc(cc1)C)NC(C)C(=O)N\N=C(\C)/C,0.0
45075,CO-ADD:0215668,2.91,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3CCNC(=O)C(=O)Nc(cc4)ccc4CCCC,0.0
45076,CO-ADD:0166651,2.91,C1(C2c3ccc(cc3)SC)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
45077,CO-ADD:0164405,2.91,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O,0.0
45078,CO-ADD:0165058,2.91,CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC.Cl,0.0
45079,CO-ADD:0157825,2.91,ClC(C=C1)=C(C=C1/N=C/C2=CC(Cl)=CC=C2O)C3=NC(C=C4C)=C(C=C4)O3,0.0
45080,CO-ADD:0157300,2.91,O=C(N/N=C/C1=CC=C(C=C1)N(CC)CC)COC2=CC(C)=C(Br)C=C2C(C)C,0.0
45081,CO-ADD:0157172,2.91,[O-][N+](C1=CC=CC(C(OC(C=C2)=CC=C2/C=N/C3=CC=C(Br)C=C3)=O)=C1)=O,0.0
45082,CO-ADD:0163047,2.91,N1(c2ccc(cc2)N=Nc3ccccc3)C(=O)C(C(C45)C1=O)C(CC4=O)c(c56)cccc6,0.0
45083,CO-ADD:0163536,2.91,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(cc2)ccc2C(C)(C)C,0.0
45084,CO-ADD:0163552,2.91,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(COc(ccc(c3C)C)c3)=O)o1,0.0
45085,CO-ADD:0163576,2.91,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c3ccco3,0.0
45086,CO-ADD:0217697,2.91,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)NC(C)CC,0.0
45087,CO-ADD:0217729,2.91,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(cc1)ccc1OCCCCCCCC,0.0
45088,CO-ADD:0217375,2.91,c1(ccc(\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)o1)c3ccc(cc3Cl)Cl,0.0
45089,CO-ADD:0216938,2.91,N1(CNc2cccc(Br)c2)C(=O)\C(\SC1=S)=C\c3ccc(C)o3,0.0
45090,CO-ADD:0217344,2.91,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c(ccc2c3ccc(cc3Cl)Cl)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
45091,CO-ADD:0217072,2.91,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)C=O,0.0
45092,CO-ADD:0157921,2.91,O=C(NC1=CC=C(C)C=C1)/C(NC(C2=CC=CC=C2)=O)=C(C)/CC,0.0
45093,CO-ADD:0157327,2.91,O=C1OC(C2=CC=CC=C2Cl)=N/C1=C\C3=CC=C(C)O3,0.0
45094,CO-ADD:0157909,2.91,[O-][N+](C1=CC=CC=C1/C=N\NC2=NC(NC3=CC=CC=C3)=NC(NCC4=CC=CC=C4)=N2)=O,0.0
45095,CO-ADD:0157077,2.91,FC(F)(F)C1=NC2=C(C(C)=C1)C(Br)=NS2,0.0
45096,CO-ADD:0157101,2.91,O=C(C1=CC=C(C=C1)N(C(CC2)=O)C2=O)NC3=NC(C=C4)=C(C=C4C)S3,0.0
45097,CO-ADD:0163233,2.91,c1(OC(N)=C(C2c3cccs3)C#N)c2c(n[nH]1)C,0.0
45098,CO-ADD:0163577,2.91,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc(Br)cc4I)c4O,0.0
45099,CO-ADD:0163633,2.91,[N+](=O)([O-])c1cccc(\C=N\NC(COc(ccc(c2C)C)c2)=O)c1O,0.0
45100,CO-ADD:0216890,2.91,C(CSCc1ccccc1C)(=O)N\N=C\c(ccc(c2OCC)OCCC)c2,0.0
45101,CO-ADD:0217202,2.91,[N+](=O)([O-])c1ccc(cc1)N\N=C\c2ccccc2OC(=O)c3cccc(C)c3,0.0
45102,CO-ADD:0217250,2.91,C(=O)(N\N=C\c(cc1)ccc1OCC(=O)c(cc2)ccc2c3ccccc3)c4ccc(cc4)Cl,0.0
45103,CO-ADD:0217458,2.91,C(=C\c(cc1)ccc1NC(=O)\C=C\c2ccccc2)/C(c3ccccc3)=O,0.0
45104,CO-ADD:0217376,2.9,n1c2c(sc1c3ccc(cc3)\N=C\c(cc(I)cc4I)c4O)ccc(C)c2,0.0
45105,CO-ADD:0217029,2.9,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\c(cc3)ccc3N(CC4)CCO4,0.0
45106,CO-ADD:0217333,2.9,c1(oc(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c4cccc(I)c4O,0.0
45107,CO-ADD:0216934,2.9,N1(CNc(cc2)ccc2Cl)C(=O)\C(\SC1=S)=C\c3ccc(C)o3,0.0
45108,CO-ADD:0217302,2.9,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c5cc(OCO6)c6cc5[N+](=O)[O-],0.0
45109,CO-ADD:0217171,2.9,n1cc(ccc1\N=C\C=C(/O)\c2ccc(cc2)Cl)Cl,0.0
45110,CO-ADD:0157821,2.9,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C2=CC(C)=CC=C2O,0.0
45111,CO-ADD:0157494,2.9,O=C(NC1=CC(C)=C(C)C=C1)C2CC2CCC(C)C,0.0
45112,CO-ADD:0157534,2.9,O=C1/C(SC2=C1C=CC=C2)=C/C3=CC(Br)=CC(Br)=C3O,0.0
45113,CO-ADD:0163658,2.9,C(COc(ccc(c1C)C)c1)(=O)N\N=C\C(\C)=C\c(cc2)ccc2\C=C(/C)\C=N\NC(COc(ccc(c3C)C)c3)=O,0.0
45114,CO-ADD:0163090,2.9,[C@]12(C)C(CCCC1(O)C#C)=C\C(\CC2)=N/NC(OCC)=O,0.0
45115,CO-ADD:0163114,2.9,C(C1)(C2)(CN(CN2C3)CN13)\C(\c4ccccc4)=N/N=C/c5c6c(cccc6)cc(cccc7)c57,0.0
45116,CO-ADD:0217630,2.9,C(=O)(N\N=C\c1cccc(Cl)c1Cl)c2ccc(cc2)Br,0.0
45117,CO-ADD:0217446,2.9,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(C)ccc2O)=C\c3cccs3,0.0
45118,CO-ADD:0217233,2.9,C(NCCc(cc1)ccc1F)(=O)C(NCCC)=O,0.0
45119,CO-ADD:0217433,2.9,N(\C(=C/c(ccc1c(cccc2[N+](=O)[O-])c2)o1)\C(O3)=O)=C3c(ccc(c45)OCO4)c5,0.0
45120,CO-ADD:0217278,2.9,N1(CNc2cccc(Cl)c2)C(=O)\C(\SC1=O)=C/c3ccc(C)o3,0.0
45121,CO-ADD:0157814,2.9,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C2=CC=CC=C2,0.0
45122,CO-ADD:0157253,2.9,O=C(C1=CC=C(OC)C=C1)NC2=CC=CC=C2C(N/N=C/C3=CC=CO3)=O,0.0
45123,CO-ADD:0157125,2.9,O=C(COC(C=C1)=CC=C1OC)N/N=C/C(C(Cl)=CC=C2)=C2Cl,0.0
45124,CO-ADD:0157189,2.9,N#CC1=C(N)C2=C(S1)NC(C)=C(C(C)=O)C2C3=CC=CC=C3[N+]([O-])=O,0.0
45125,CO-ADD:0217355,2.9,c1([nH]c(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c(cc(I)cc4I)c4O,0.0
45126,CO-ADD:0217363,2.9,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(ccc2c3ccc(cc3)I)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
45127,CO-ADD:0157983,2.9,O=S(NCC1=CC=CO1)(C2=CC=C(Cl)C=C2)=O,0.0
45128,CO-ADD:0157954,2.9,O=P(O)(O)CN(CC)CP(O)(O)=O,0.0
45129,CO-ADD:0157970,2.9,N#CC1=C(N)OC(N(C2=CC=CC=C2)N=C3C)=C3C1C4=CC=CC=C4Cl,0.0
45130,CO-ADD:0158234,2.9,[O-][N+](C(C(N(C)C)=C1)=CC(C(N(C)CCN(CC)CC)=O)=C1OC)=O.Cl,0.0
45131,CO-ADD:0157007,2.9,N#CC(C(C(F)(F)F)=C1)=C(SCC(OCC2=CC=CC=C2)=O)N=C1C3=CC=CS3,0.0
45132,CO-ADD:0157055,2.9,N#CC1=C(SCC(NC2=NC(C)=CS2)=O)N=C(N)C(C#N)=C1,0.0
45133,CO-ADD:0163533,2.9,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc2ccccc2C)=O)O,0.0
45134,CO-ADD:0163549,2.9,N(=C(/C)\c1ccc(cc1)CC)/NC(CNc2ccccc2C)=O,0.0
45135,CO-ADD:0163053,2.9,C(=O)(C(NCCCCc1ccccc1)=O)Nc2cccc(Cl)c2Cl,0.0
45136,CO-ADD:0217108,2.9,C(C(OCC)=O)(=C(CSc1c(ccc(c2cccs2)n1)C#N)OC(=C3C#N)N)C3c4ccccc4Br,0.0
45137,CO-ADD:0217116,2.9,c1(c(CCN(C)C1)nc(c2C#N)SCc(ccc(c3Cl)Cl)c3)c2c4cccs4,0.0
45138,CO-ADD:0217132,2.9,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c3ccccc3C,0.0
45139,CO-ADD:0216972,2.9,S(=O)(=O)(c1ccc(cc1)C)N(C)CC(NCCC)=O,0.0
45140,CO-ADD:0158279,2.9,N1(C2=CC=CC=C2)C(C3=CC=CO3)=NN=C1SCC4=CC=CC=C4,0.0
45141,CO-ADD:0157971,2.9,N#CC1=C(N)OC(N(C2=CC=CC=C2)N=C3C)=C3C1C(C=C4)=CC=C4Br,0.0
45142,CO-ADD:0157272,2.9,O=C(NCC1=CC(OCO2)=C2C=C1)C3=CC(OC)=C(OC)C(OC)=C3,0.0
45143,CO-ADD:0157523,2.9,O=C(C1=CC(C(C2=CC=C3C(N(C(C=C4C)=CC=C4C)C(C3=C2)=O)=O)=O)=CC=C51)N(C6=CC(C)=C(C)C=C6)C5=O,0.0
45144,CO-ADD:0217044,2.9,C(CSCc(cc1)ccc1Cl)(=O)Nc2cccc(OC)c2,0.0
45145,CO-ADD:0217568,2.9,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(Br)ccc2OC(=O)c3ccco3)=C\c4cccs4,0.0
45146,CO-ADD:0217673,2.9,C(=O)(N\N=C\c1ccco1)c2ccc(cc2)NC(CCCCC)=O,0.0
45147,CO-ADD:0156619,2.9,OC(C(NC(C1=CC=CC=C1)=O)CC2=CN=C(C=C2)Cl)=O,0.0
45148,CO-ADD:0157352,2.89,O=C(C1)N(C2=CC3=CC=CC=C3C=C2)CC(N1C4=CC=C5C=CC=CC5=C4)=O,0.0
45149,CO-ADD:0157160,2.89,O=C(N/N=C(C)/CC(NC1=C(C)C=C(C)C=C1C)=O)C2=CC=CC=C2O,0.0
45150,CO-ADD:0157751,2.89,[O-][N+](C1=CC=C(C(/C=N/NC(C(C=C2)=CC=C2Br)=O)=C1)N3CCCCC3)=O,0.0
45151,CO-ADD:0157747,2.89,OC1=C2N=CC=CC2=C(COC)C=C1CN3CCC(C)CC3,0.0
45153,CO-ADD:0217553,2.89,c1(c2ccc(cc2)\N=C\c(cc(OCO3)c3c4)c4Br)[nH]c5c(ccc(c5)\N=C\c(cc(OCO6)c6c7)c7Br)n1,0.0
45154,CO-ADD:0217773,2.89,n1(N)c(CC)nnc1N\N=C\c(c2c([nH]3)cccc2)c3.Cl,0.0
45155,CO-ADD:0217243,2.89,C(F)(F)(C(F)(F)COc1ccccc1NC(=O)c2ccc(cc2)Cl)C(F)(F)C([H])(F)F,0.0
45156,CO-ADD:0157787,2.89,O=C(C(O)C1=CC=CC=C1)N/N=C/C2=CC(Br)=C(Br)O2,0.0
45157,CO-ADD:0157811,2.89,[O-][N+](C1=C(O)C(/C=N/C(C=C2)=CC=C2NC(C)=O)=CC(C)=C1)=O,0.0
45158,CO-ADD:0217623,2.89,c1(\C=N\NC(COc2cccc(cccn3)c23)=O)cc(OC)ccc1Br,0.0
45159,CO-ADD:0217271,2.89,C(=O)(Nc1cccc(Cl)c1)CCN2CCCCC2.Cl,0.0
45160,CO-ADD:0216848,2.89,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)N\N=C\c(cc3)ccc3N(C)C,0.0
45161,CO-ADD:0157827,2.89,ClC1=CC=C(O)C(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=C(C)C=C4)=C1,0.0
45162,CO-ADD:0157855,2.89,ClC1=CC(/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCCC4)=N2)=C(O)C=C1,0.0
45163,CO-ADD:0157887,2.89,[O-][N+](C1=CC(Cl)=CC(/C=N/C2=CC=C(C=C2)C(O)=O)=C1O)=O,0.0
45164,CO-ADD:0157584,2.89,COC1=CC=CC=C1C(C2)N(C3=CC=CC=C3)N=C2C4=CC=CC=C4,0.0
45166,CO-ADD:0154564,2.89,ClCCCN1CCCC1.Cl,0.0
45167,CO-ADD:0154556,2.89,C#CCN(CC1=CC=CC=C1)[H].Br,0.0
45168,CO-ADD:0157776,2.89,O=C(C1=CC(OC)=C(OC)C=C1)NCC(N/N=C\C2=C(C=CC=C3)C3=CC4=C2C=CC=C4)=O,0.0
45169,CO-ADD:0163683,2.89,[N+](=O)([O-])c1cccc(\C=N\c(cc2)ccc2OCC(F)(F)C(F)F)c1O,0.0
45170,CO-ADD:0163691,2.89,N1(c(cc2)ccc2C(OCCCCCCC)=O)C(=O)c3c(c4C1=O)c(c(CC5)cc3)c5cc4,0.0
45171,CO-ADD:0163606,2.89,N(=C(/C)\c1ccc(cc1)F)/NC(COc2ccc(cc2Br)OC)=O,0.0
45172,CO-ADD:0154585,2.89,ClC1=NC2=C(C=C(C=C2)OC)C=C1C=O,0.0
45173,CO-ADD:0216829,2.89,c1(C(F)(F)F)nc(sc1c2ccccn2)N\N=C\c(cc3)ccc3Br,0.0
45174,CO-ADD:0216877,2.89,C([C@H](NC(=O)C)CCO1)[C@H]1c(c2)ccc(F)c2,0.0
45175,CO-ADD:0157016,2.89,N#CC(C(C(F)(F)F)=C1)=C(SCC(NC2=CC([N+]([O-])=O)=CC=C2)=O)N=C1C3=CC=CC=C3,0.0
45176,CO-ADD:0157273,2.89,O=C(NC1=CC=C(OCCCC)C=C1)CSC2=NC(C=CC=C3)=C3N2,0.0
45177,CO-ADD:0157620,2.89,N#CC1=C(N)OC(C2=NC=CC=C2C=C3)=C3C1C4=CC=CC=C4Cl,0.0
45178,CO-ADD:0156641,2.89,O=C(C1=NC=CC=C1)N2[C@@H](CCC2)C(N)=O,0.0
45179,CO-ADD:0156644,2.89,NC([C@@H](NC(C1=C(C(F)=C(C(F)=C1F)F)F)=O)CC2=CC=CC=C2)=O,0.0
45180,CO-ADD:0217517,2.89,c1(c2ccc(cc2)\N=C\c(cc(Br)cc3Cl)c3O)sc4c(ccc(C)c4)n1,0.0
45181,CO-ADD:0158141,2.89,N#CC1=CC=CC=C1OCC(N/N=C/C2=CC([N+]([O-])=O)=C(OC)C=C2)=O,0.0
45182,CO-ADD:0158293,2.89,O=C(NC1=C(C=CC=C1)C(O)=O)C2=C(C)OC(C)=C2,0.0
45183,CO-ADD:0157014,2.89,N#CC(C(C(F)(F)F)=C1)=C(SCC(NC(N=C2)=C(Br)C=C2Br)=O)N=C1C3=CC=CS3,0.0
45184,CO-ADD:0157046,2.89,N#CC1=C(SCC(NC2=CC(C(F)(F)F)=CC=C2)=O)N=C(C)C(C(C)=O)=C1,0.0
45185,CO-ADD:0157908,2.89,NC1=C(C(C=C2OC)=CC=C2OC)C(C3=CC=CC=C3)=NN1C4=CC=CC=C4,0.0
45186,CO-ADD:0157501,2.89,O=C(NCCCCCCCCC)NC1=CC(OC(C=CC=C2)=C2O3)=C3C=C1,0.0
45187,CO-ADD:0163228,2.89,C(=O)(N\N=C\c(cc1)ccc1C)C(=O)Nc2cccc(Cl)c2Cl,0.0
45188,CO-ADD:0163540,2.89,c1(Br)c(O)c(\C=N\NC(=O)\C(=C/c(cc2)ccc2N(CC)CC)\NC(c3ccccc3)=O)c(c(Br)c1O)C,0.0
45189,CO-ADD:0158254,2.89,[O-][N+](C1=CC=C(C(/C=N/NC(C2=CC=C(F)C=C2)=O)=C1)F)=O,0.0
45190,CO-ADD:0156647,2.89,O=C(C(NC(C1=CC=C(C=C1)[N+]#[C-])=O)CC)NCCC,0.0
45191,CO-ADD:0215004,2.89,n1c(cc(cc1c2ccc(c3c2)cccc3)c4ccc(cc4)Br)c5ccc(c6c5)cccc6,0.0
45192,CO-ADD:0217700,2.88,o1c(C)ccc1\C=N\NC(COc2ccccc2C)=O,0.0
45193,CO-ADD:0157054,2.88,N#CC1=C(SCC(NC(C)(C)C)=O)N=C(N)C(C#N)=C1,0.0
45194,CO-ADD:0163260,2.88,c1(NC(=O)\C=C\c2ccccc2)sc(c3n1)CCCC3,0.0
45195,CO-ADD:0163668,2.88,C(F)(F)(COc(cc1)ccc1\N=C\c2cc(Br)ccc2O)C(F)F,0.0
45196,CO-ADD:0217709,2.88,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
45197,CO-ADD:0215069,2.88,N(CC1)(CCO1)C(=O)COc(cc2)ccc2Br,0.0
45198,CO-ADD:0215234,2.88,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c(cc3)ccc3Cl,0.0
45199,CO-ADD:0215078,2.88,C(/CC1)(=C/c(ccc(c2OC)OC)c2)\C(=O)\C(\C1)=C/c(ccc(c3OC)OC)c3,0.0
45201,CO-ADD:0158185,2.88,N#CC1=C(N)OC(CCl)=C(C(OCC)=O)C1C2=CC=CC(F)=C2,0.0
45202,CO-ADD:0215258,2.88,S(c1ccccc1)(=O)(=O)Nc2ccc(cn2)C,0.0
45203,CO-ADD:0215555,2.88,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c(ccc(c2[N+](=O)[O-])OC(=O)c3ccc(cc3)OC)c2)[N+](=O)[O-],0.0
45204,CO-ADD:0215651,2.88,C(=O)(Nc1ccccc1OC(C)C)c2ccccc2SCc(cc3)ccc3F,0.0
45205,CO-ADD:0215198,2.88,c1(C#N)c2c(sc1\N=C\c(ccc(c3[N+](=O)[O-])Cl)c3)CCCC2,0.0
45206,CO-ADD:0217750,2.88,c1(c(Cl)cc(c(F)c1)F)NC(NCCCCCCCCCCCCCCCC)=O,0.0
45207,CO-ADD:0158265,2.88,O=C(CCC(N/N=C/C1=CC(Cl)=CC=C1)=O)NC2=C(C)C(C)=CC=C2,0.0
45208,CO-ADD:0159669,2.88,C1(C=CS2)=C2C3(CCN(CC4=CC=CC=C4)CC3)OCC1,0.0
45209,CO-ADD:0215751,2.88,C(OC)(=O)c1ccc(cc1)OCc(cc2)ccc2COc(cc3)ccc3C(OC)=O,0.0
45210,CO-ADD:0215559,2.88,N1(c(cc2)ccc2C(=O)Nc3cccc(C)c3)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5cccc(C)c5,0.0
45211,CO-ADD:0214976,2.88,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\NC(=O)c3cccc(Br)c3,0.0
45212,CO-ADD:0217680,2.88,C(=O)(N\N=C(/C)\c1cc(C)ccc1C)C2CC2,0.0
45213,CO-ADD:0217736,2.88,N(C(=O)NN=C1SCCF)C1=O,0.0
45214,CO-ADD:0157122,2.88,[O-][N+](C(C=C1)=CC(O)=C1N/C=C2C(N(C3=CC=CC=C3)N=C\2C)=O)=O,0.0
45215,CO-ADD:0157042,2.88,N#CC1=C(SCC(N)=O)N=C(C2=CC=CS2)C=C1C3=CC=CC=C3,0.0
45216,CO-ADD:0156995,2.88,O=C(C1=CC=CC=C1)C2=C(N)C(C=C3C)=C(N=C3CC)S2,0.0
45217,CO-ADD:0163271,2.88,C1(c(c2)cc(cc2C3=N\C(\C(=O)O3)=C\c4ccccc4)C5=N\C(\C(=O)O5)=C/c6ccccc6)=N\C(\C(=O)O1)=C/c7ccccc7,0.0
45218,CO-ADD:0163279,2.88,N(=C(/C)\c1ccc(c(OC)c1)OC)/NC(CNc2cccc(C)c2)=O,0.0
45219,CO-ADD:0163607,2.88,c1(\C=N\NC(COc2ccccc2OC)=O)cc(Br)ccc1OCC(O)=O,0.0
45220,CO-ADD:0159686,2.88,O[C@@H]1[C@H](O)[C@@H](COP(O[C@@H](C)CC2[C@@H](O)[C@@H](O)[C@H](O)[C@@H]([C@@H](O)CO)O2)(O)=O)O[C@H]1N(C=N3)C4=C3C(N)=NC=N4.CCN(CC)CC,0.0
45221,CO-ADD:0217578,2.88,c1(ccccc1OCc2ccccc2)C(=O)N\N=C\c(cc3)ccn3,0.0
45222,CO-ADD:0215217,2.88,N1\C(=N\N=C\c2ccccc2Cl)\S\C(=C/c(ccc(c3OC)O)c3)\C1=O,0.0
45223,CO-ADD:0217699,2.88,N(C(CCC(=O)N\N=C\c1cccc(OC)c1)=O)c2ccc(cc2C)I,0.0
45224,CO-ADD:0215067,2.88,n1(CC)c2c(c(cc(cc3)NC(=O)C\C(\C)=N\NC(=O)c4cccc(Br)c4)c13)cccc2,0.0
45225,CO-ADD:0215252,2.88,N1(c2ccccc2)C(c3ccco3)CC(c4ccccc4)=N1,0.0
45226,CO-ADD:0215169,2.88,c1(c(C)cc(cc1C)C)NC(O\N=C\C=N\OC(=O)Nc2c(C)cc(cc2C)C)=O,0.0
45227,CO-ADD:0214985,2.88,[N+](=O)([O-])c1c(Cl)ccc(c1)\N=C\c(cc2)ccc2Cl,0.0
45228,CO-ADD:0156200,2.88,O=C(C1=CC=CC=C1)OC(C(OC)=C2)=CC=C2/C=N/NC(COC(C=C3)=CC=C3CC)=O,0.0
45229,CO-ADD:0156392,2.88,[O-][N+](C1)=C2C(N1O)C(N(O)C(C)(C)C2)(C)C,0.0
45230,CO-ADD:0156400,2.88,NC1=C(C(C2=CC=CC=C2)=O)SC3=C1C(C4=CC=CC=C4)=CC(C5=CC=CC=C5)=N3,0.0
45231,CO-ADD:0156216,2.88,ClC1=C(Cl)C=CC(NC2=NC=NC(S3)=C2C4=C3CCCC4)=C1,0.0
45232,CO-ADD:0156057,2.88,O=C1/C(N=C(C(C=C2)=CC=C2C)O1)=C/C3=CC(OC)=C(OC)C(OC)=C3,0.0
45233,CO-ADD:0156132,2.88,O=C(C(C1=CC=C(C=C1)[N+]([O-])=O)=C2)N(C(C=C3)=CC=C3OC)C2=O,0.0
45234,CO-ADD:0163732,2.88,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)C(=O)Nc2cccc(Cl)c2,0.0
45235,CO-ADD:0163756,2.88,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
45236,CO-ADD:0163432,2.88,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(COc3ccc(cc3Br)Cl)=O)[N+](=O)[O-],0.0
45237,CO-ADD:0163744,2.88,C(=O)(Nc(ccc(c12)cccc1)c2)C\C(\C)=N\NC(COc3ccc(cc3C)Br)=O,0.0
45238,CO-ADD:0163368,2.88,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
45239,CO-ADD:0163949,2.88,N1(c2cccc(Br)c2)C(=O)c(c3C1=O)cc(c4c3)cccc4,0.0
45240,CO-ADD:0161743,2.87,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c2ccccc2I)nc3Nc4ccccc4)n3,0.0
45241,CO-ADD:0162988,2.87,c1(C(=O)N\N=C\c(cc2)ccn2)nn(c(c3ccccc3)n1)c4ccccc4,0.0
45242,CO-ADD:0162996,2.87,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3cccc(Cl)c3,0.0
45243,CO-ADD:0163012,2.87,N(=C(/C)\c1ccc(cc1)F)/NC(CNc2cccc(cccc3)c23)=O,0.0
45244,CO-ADD:0161168,2.87,c1(ccc(\C=N\NC(COc(ccc(c2C)C)c2)=O)o1)c3ccc(cc3Cl)Cl,0.0
45245,CO-ADD:0161365,2.87,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCCC(=O)c3ccc(cc3)F)c4cccs4,0.0
45246,CO-ADD:0137641,2.87,c1(C(=O)NN=Cc(ccc(c2OC)OCC(OCC)=O)c2)nonc1N,0.0
45247,CO-ADD:0137642,2.87,c1(C(=O)NN=Cc(cc2)ccc2C=NNC(=O)c3nonc3N)nonc1N,0.0
45248,CO-ADD:0156516,2.87,[O-][N+](C1=CC(/C(NC(C=C2)=CC=C2OC)=N\O)=CC=C1)=O,0.0
45249,CO-ADD:0156156,2.87,O=C(/C1=C/C2=C(O)C=C(O)C=C2)N(NC1=O)C3=CC=CC=C3,0.0
45250,CO-ADD:0156188,2.87,O=C(COC1=CC(Br)=CC=C1)N/N=C/C2=CC(C=CC=C3)=C3C=C2,0.0
45251,CO-ADD:0156412,2.87,O=C(C(C=C1)=CC=C1OC2=CC=C(C=C2)C(NC3=CC(OC4=CC=C(C(C(O)=O)=C4)C(O)=O)=CC=C3)=O)NC5=CC=CC(OC6=CC(C(O)=O)=C(C=C6)C(O)=O)=C5,0.0
45252,CO-ADD:0156228,2.87,[O-][N+](C1=CC=C(C(/C=N/NC(/C(NC(C2=CC=CC=C2)=O)=C\C(C(OC)=C3)=CC=C3OC)=O)=C1)OC)=O,0.0
45253,CO-ADD:0156193,2.87,O=C(C1=CC=CC=C21)N(CC(N(C3=CC=CC=C3)C4=CC=CC=C4)=O)C2=O,0.0
45254,CO-ADD:0163501,2.87,C(CNc1cccc(cccc2)c12)(=O)N\N=C\C(\C)=C\c3ccccc3,0.0
45255,CO-ADD:0163392,2.87,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)cc(c4OC(C)=O)OC,0.0
45256,CO-ADD:0163400,2.87,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
45257,CO-ADD:0162247,2.87,c(Nc1ccccc1)(nc(N\N=C\c2cc(Br)ccc2OC)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
45258,CO-ADD:0162656,2.87,c(C#N)(cc(C(C)=O)c(n1)C)c1SCc2c(cccc2F)Cl,0.0
45259,CO-ADD:0162576,2.87,n(CCC(O)=O)(c1c(c2C=O)cccc1)c2,0.0
45260,CO-ADD:0161424,2.87,S(=O)(=O)(Nc(c(C)ccc1[N+](=O)[O-])c1)c2c(C)ccc(c2)C(=O)Nc3ccccc3,0.0
45261,CO-ADD:0161808,2.87,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(cc2)ccc2OC)nc3Nc(cc4)ccc4OC)n3,0.0
45262,CO-ADD:0163180,2.87,[N+](=O)([O-])c1cc2c(cc1\C=N\c(c(C)ccc3[N+](=O)[O-])c3)OCO2,0.0
45263,CO-ADD:0162642,2.87,C(C#N)(C1c2ccc(C)o2)=C(N)SC(N)=C1C#N,0.0
45264,CO-ADD:0163877,2.87,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N\N=C(/C)\c3ccc(cc3)I,0.0
45265,CO-ADD:0137667,2.87,c1(C(NN)=O)nonc1N,0.0
45266,CO-ADD:0137668,2.87,c1(nonc1N)C(=O)NNC(=O)c2nonc2N,0.0
45267,CO-ADD:0156440,2.87,OC1=CC=C(/C=N\NC2=NC(N3CCOCC3)=NC(N4CCCC4)=N2)C=C1OC,0.0
45268,CO-ADD:0154967,2.87,N#CC([C@H](C1=CC(I)=CC=C1)[C@H]2C(C3(C[C@H]4C5)C[C@H]5C[C@H](C4)C3)=O)(C#N)[C@]6([H])N2C7=CC=CC=C7C=C6,0.0
45269,CO-ADD:0156245,2.87,O=C(OCC(C)C)C(C=C1)=CC=C1NC(CCC(O)=O)=O,0.0
45270,CO-ADD:0156269,2.87,O=C(C1=CC=C(Cl)C=C1)NCC(N/N=C/C2=CC(Cl)=CC=C2)=O,0.0
45271,CO-ADD:0162619,2.87,c1(C#N)c(c2cccs2)c3c(nc1SCC(=O)CC(OCC)=O)CCC3,0.0
45272,CO-ADD:0162715,2.87,[N+](=O)([O-])c1cc(OC)ccc1\N=C\c(cccc2[N+](=O)[O-])c2,0.0
45273,CO-ADD:0162635,2.87,C1(C(=O)N(C)C(N2C)=O)=C2OC(N)=C(C#N)C13c4c(NC3=O)cccc4,0.0
45274,CO-ADD:0162275,2.87,c1(N(CC2)CCO2)nc(N\N=C/c(c(O)ccc3[N+](=O)[O-])c3)nc(Nc4cccc(Br)c4)n1,0.0
45275,CO-ADD:0162556,2.87,C1(C)(CCC2C3CCc(cc(O)cc4)c24)C3C[C@@H](Br)C15OCCO5,0.0
45276,CO-ADD:0162572,2.87,[N+](=O)([O-])c1ccc(cc1SCCO)N(CC2)CCN2C,0.0
45277,CO-ADD:0163132,2.87,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2ccccc2Cl,0.0
45278,CO-ADD:0163604,2.87,C1(NNC(=O)c2ccc(cc2)O)OC(C)C(C(O)C1O)O,0.0
45279,CO-ADD:0163207,2.86,C(=O)(Oc1ccc(cc1\C=N\NC(=O)c(cccn2)c2)Br)c3ccco3,0.0
45280,CO-ADD:0163808,2.86,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3N=Nc4ccccc4)C(=O)Oc(cc5)ccc5\C=N\c(cc6)ccc6N=Nc7ccccc7,0.0
45281,CO-ADD:0162832,2.86,C(CCCCCCCCCCCCCCCCC)(NCCOCc1ccccc1)=O,0.0
45282,CO-ADD:0163856,2.86,N(=C(/C)\c1cccc(I)c1)/NC(CSCc2cccc(Cl)c2)=O,0.0
45283,CO-ADD:0163539,2.86,C(=O)(N\N=C\c(cc1)cc(c1OC(C)=O)OC)C(O)(c2ccccc2)c3ccccc3,0.0
45284,CO-ADD:0163563,2.86,C(=N/NC(COc1c(C)cccc1C)=O)(/c2c(N3C)cccc2)\C3=O,0.0
45285,CO-ADD:0163291,2.86,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c3ccccc3O,0.0
45286,CO-ADD:0158373,2.86,O=C(N/N=C(C)/CC(NC1=CC(I)=CC=C1)=O)C(NC2=CC(OC)=CC=C2OC)=O,0.0
45287,CO-ADD:0156976,2.86,[O-][N+](C(C=C1)=CC(NC(C2)=O)=C1NC2C)=O,0.0
45288,CO-ADD:0158456,2.86,O=C(N/N=C/C1=CC=C(O)C=C1)CSC2=CC=C3C(C=CC=C3)=N2,0.0
45289,CO-ADD:0277806,2.86,n1(c2C)c(ncc2C(C)=O)cc(c(cc3)ccc3C(C)(C)C)n1,0.0
45290,CO-ADD:0277822,2.86,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc(Br)c(c3)OC)c3OC)\N2C4CCCC4,0.0
45291,CO-ADD:0160271,2.86,O=C1OC(C(C=CC=C2)=C2C)=N/C1=C\C3=CC(I)=C(OC(C)=O)C(I)=C3,0.0
45292,CO-ADD:0160184,2.86,O=C(C1=CC=CS1)NC(C)C2=CC=CC=C2,0.0
45293,CO-ADD:0160208,2.86,ClC1=CC(C2=CC=C(/C=N/C3=CC=C(C=C3)C(O4)=NC5=C4C=CC(C)=C5)O2)=CC=C1Cl,0.0
45294,CO-ADD:0160616,2.86,NC1=C(C(C2=CC(O)=C(O)C=C2)=O)SC3=C1C(COC)=CC(C)=N3,0.0
45295,CO-ADD:0159866,2.86,O=C(O)C1=CC(Br)=CC=C1NCCC(O)=O,0.0
45296,CO-ADD:0160011,2.86,OC1=C(C=CC=C1)/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=C(C)C=C4,0.0
45297,CO-ADD:0155797,2.86,O=C(N/N=C/C(C(Cl)=C1)=CC=C1Cl)C2CC2CCCCC,0.0
45298,CO-ADD:0155837,2.86,O=C(C(C=C1)=CC=C1NC(C(C=C2)=CC=C2NC(C3=CC(C)=CC=C3)=O)=O)N(CC)C4=CC=CC=C4,0.0
45299,CO-ADD:0158745,2.86,ClC1=C(O)C(/C=N/C2=CC(N=C(C3=CC=CC(C)=C3)O4)=C4C=C2)=CC(Br)=C1,0.0
45300,CO-ADD:0156170,2.86,O=C(OC)C1(C)ON(C(C=C2Cl)=CC=C2Cl)C(C3=CC=CC=C3)C1,0.0
45301,CO-ADD:0156386,2.86,N=C(N/N=C/C(C(Cl)=CC=C1)=C1Cl)C2=NON=C2N,0.0
45302,CO-ADD:0156509,2.86,O=C(N/N=C/C(C=CC=C1)=C1OCC2=CC=C(Cl)C=C2)C(C=C3)=CC=C3OCC4=CC=C(C=C4)Cl,0.0
45303,CO-ADD:0162168,2.86,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4ccccc4Cl,0.0
45304,CO-ADD:0162208,2.86,c1(N2CCCC2)nc(N\N=C\c(ccc(c3OC)OC)c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
45305,CO-ADD:0162616,2.86,c1(C#N)c(c2cccs2)c3c(nc1SCC(=O)Nc4ccccc4I)CCCC3,0.0
45306,CO-ADD:0162553,2.86,C(=O)(Nc1ccccn1)c2ccccc2OC,0.0
45307,CO-ADD:0162585,2.86,C(COc(cc1)ccc1OC)(=O)N\N=C\c2cccc(Cl)c2,0.0
45308,CO-ADD:0162301,2.86,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2Br)\C=N\NC(c3ccccc3)=O,0.0
45309,CO-ADD:0163859,2.86,C(OCc(cc1)ccc1OC)(=O)N\N=C(/C)\CC(=O)Nc(ccc(c23)cccc2)c3,0.0
45310,CO-ADD:0163867,2.86,c1(c(C)cc(cc1C)C)NC(=O)C\C(\C)=N\NC(OCc(cc2)ccc2OC)=O,0.0
45311,CO-ADD:0163315,2.86,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(ccc(c2C)C)c2)=O)OC)c1,0.0
45312,CO-ADD:0162351,2.86,C(NCCCCCCCCC)(=O)c1ccc(cc1)NC(CCCCCCC)=O,0.0
45313,CO-ADD:0163026,2.86,c1(\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)cc(C)ccc1O,0.0
45314,CO-ADD:0163130,2.86,N(/NC(CNC(=O)c1ccc(c(OC)c1)OC)=O)=C(/c2ccccc2)\c3ccccc3,0.0
45315,CO-ADD:0157741,2.86,O=C(C1=CC=CN=C1)N/N=C/C2=C(OC)C(I)=CC(I)=C2,0.0
45316,CO-ADD:0158453,2.86,[O-][N+](C1=CC(/C=N/NC(C2=CC(OC)=C(C(OC)=C2)OC)=O)=CC=C1O)=O,0.0
45317,CO-ADD:0157452,2.85,[O-][N+](C1=CC=CC(NC(COC2=CC=CC3=CC=CC=C23)=O)=C1)=O,0.0
45318,CO-ADD:0158798,2.85,O=C1NC(C2=CC=C(F)C=C2)C(C(OCC)=O)=C(C)N1,0.0
45319,CO-ADD:0157646,2.85,N#CC1=C(N)OC(N(C2=CC=CC=C2)N=C3C)=C3C1C(C=C4Cl)=CC=C4Cl,0.0
45320,CO-ADD:0259811,2.85,C1(C(OCCc2ccccc2)=O)=C(C)NC(NC1c3cccc(c3)OCc4ccccc4)=O,0.0
45321,CO-ADD:0160301,2.85,[O-][N+](C1=CSC(/C(C)=N/NC(COC2=CC=CC(Br)=C2)=O)=C1)=O,0.0
45322,CO-ADD:0260083,2.85,n12c(S\C(=C\c(ccc3c(cc4)cc(c45)COC5=O)o3)\C1=O)nc(cc(C)c(C)c6)c26,0.0
45323,CO-ADD:0160317,2.85,O=C(N/N=C/C1=CC=C(C=C1)N(C)C)CSCC2=CC(C)=C(O)C(C)=C2,0.0
45324,CO-ADD:0160357,2.85,O=C(NC(CC1C2=C(NC1)C=CC=C2)C(O)=O)C(F)(F)C(F)(F)C(F)(F)OC(C(F)(F)F)(F)C(NC(CC3C4=C(NC3)C=CC=C4)C(O)=O)=O,0.0
45325,CO-ADD:0160328,2.85,O=S(OC(C=C1)=C(Br)C=C1OS(C(C=C2)=CC=C2[N+]([O-])=O)(=O)=O)(C(C=C3)=CC=C3[N+]([O-])=O)=O,0.0
45326,CO-ADD:0159731,2.85,S=C(O1)N(CN2CCOCC2)N=C1C3=CC=CC=C3Cl,0.0
45327,CO-ADD:0159848,2.85,[O-][N+](C1=CC2=C(C=C1)N=C(SC3=CC=C(/C=N/NC(CC4=CC=CC5=CC=CC=C45)=O)O3)S2)=O,0.0
45328,CO-ADD:0159856,2.85,N#CC1=C(N)N(N=C1/C(C#N)=C\C2=CC=CC=C2)C3=CC=CC=C3,0.0
45329,CO-ADD:0159769,2.85,N=C1C(C(N)=O)=CC(Br)=CN1C2=CC=CC=C2,0.0
45330,CO-ADD:0159809,2.85,ClC1=C(C=CC(Cl)=C1)C(C2)N(C3=CC(Cl)=CC=C3)N=C2C4=CC=C(Br)C=C4,0.0
45331,CO-ADD:0159733,2.85,O=S1(N=C(C(C=C2)=C1C=C2[N+]([O-])=O)N(C)/N=C/C(C=C3)=CC=C3Cl)=O,0.0
45332,CO-ADD:0156202,2.85,O=C(N/N=C/C1=C(OC)C=CC(OC)=C1)C(O)C2=CC=C(Br)C=C2,0.0
45333,CO-ADD:0156210,2.85,O=C(C)N1C(C2=C(C=CC=C3)C3=CC4=C2C=CC=C4)SC(NC(C)=O)=N1,0.0
45334,CO-ADD:0156051,2.85,[O-][N+](C(C=CC=C1)=C1OCC(N/N=C/C2=C(O)C=CC3=CC=CC=C23)=O)=O,0.0
45335,CO-ADD:0155637,2.85,O=C(CCCCCCCCCCC(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC(C3=CC=CC=C3)C4=CC=CC=C4,0.0
45336,CO-ADD:0156238,2.85,[O-][N+](C1=CC(/C=N/NC(CSCC2=CC=C(C=C2)[N+]([O-])=O)=O)=C(OC)C=C1)=O,0.0
45337,CO-ADD:0155766,2.85,O=C(C1=C2C=CC(C(O)=O)=C1)N(C(C=C3)=CC=C3OC4=CC=CC=C4)C2=O,0.0
45338,CO-ADD:0162273,2.85,c1(N(CC2)CCO2)nc(N\N=C/c(c(OC)ccc3[N+](=O)[O-])c3)nc(Nc4cccc(Br)c4)n1,0.0
45339,CO-ADD:0162193,2.85,c1(ccco1)\C=C\C(NCCCCCCNC(=O)\C=C\c2ccco2)=O,0.0
45340,CO-ADD:0162565,2.85,c1(ncnc2SCC(O)=O)c2c(c(C)s1)C,0.0
45341,CO-ADD:0162286,2.85,c1(N(CC2)CCO2)nc(N\N=C/c3cccc(I)c3)nc(Nc4cccc(Br)c4)n1,0.0
45342,CO-ADD:0162703,2.85,C(CCCCCCCC(=O)Nc(cc1)ccc1C)(=O)Nc(cc2)ccc2C,0.0
45343,CO-ADD:0163205,2.85,N1(C(=O)c(c2C1=O)ccc(c2)[N+](=O)[O-])C3=CNC(NC3=O)=O,0.0
45344,CO-ADD:0163798,2.85,C(=O)(\C=C\c(cc1)ccc1Br)Oc2ccccc2\C=N/c(cc3)ccc3\N=C\c4ccccc4OC(=O)\C=C\c(cc5)ccc5Br,0.0
45345,CO-ADD:0162446,2.85,c1(c(N)nc(n2)c(cc3OC)cc(c3OC)OC)c2c4c(cccc4)OC1=O,0.0
45346,CO-ADD:0163878,2.85,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C(/C)\c2ccc(cc2)I)c3ccc(cc3C)C,0.0
45347,CO-ADD:0163843,2.85,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3cccc(C)c3)C(=O)Oc(cc4)ccc4\C=N\c5cccc(C)c5,0.0
45348,CO-ADD:0163598,2.85,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2C(C)C)CC(=O)N\N=C\c(cc3)cc(c3N(C)C)Br,0.0
45349,CO-ADD:0158374,2.85,O=C(CC1=CC=CC=C1)N/N=C/C2=C(C)N(C3=CC=CC=C32)C,0.0
45350,CO-ADD:0158422,2.85,O=C(C(C=C1)=CC=C1NC(CCCC)=O)NC2=CC=C(OC)C=C2,0.0
45351,CO-ADD:0158457,2.85,O=C(N/N=C/C1=CC=NC=C1)CSC2=CC=C3C(C=CC=C3)=N2,0.0
45352,CO-ADD:0157834,2.85,[O-][N+](C1=CC=CC(/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCCC4)=N2)=C1O)=O,0.0
45353,CO-ADD:0158386,2.85,OC(C(/C=N/C1=CC(OC)=CC=C1)=CC=C2)=C2OC,0.0
45354,CO-ADD:0158502,2.85,[O-][N+](C1=CC=C(C(/C=N/NC(CNC2=C(C)C=CC(C)=C2)=O)=C1)N3CCCCCC3)=O,0.0
45355,CO-ADD:0160448,2.85,O=C(CNC1=CC=CC(C)=C1)N/N=C/C2=CC(OCO3)=C3C=C2,0.0
45356,CO-ADD:0277624,2.85,C1(C2CC(C)C)=C(c3c(cccc3)OC1=O)OC(N)=C2C#N,0.0
45357,CO-ADD:0259948,2.85,c1(SCC(=O)Nc2ccccc2OC)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
45358,CO-ADD:0259972,2.85,n1c(c(cc2)ccc2C(O)=O)csc1N.Br,0.0
45359,CO-ADD:0160521,2.85,O=C(C(C=C1)=CC=C1NC(CCCCCCCCC)=O)NC2=CC(C=CC=C3)=C3C=C2,0.0
45360,CO-ADD:0160300,2.85,[O-][N+](C1=C(N(C)C)C=CC(/C=N/C2=CC(C)=C(C)C=C2)=C1)=O,0.0
45361,CO-ADD:0160029,2.85,BrC1=CC(C)=CC(/C=N/C2=CC(N=C(C3=CC=C(OC)C=C3)O4)=C4C=C2)=C1O,0.0
45362,CO-ADD:0160053,2.85,O=C1SC(C=C2)=C(C=C2OC(OC3=CC=CC=C3)=O)O1,0.0
45363,CO-ADD:0160061,2.85,O=C1C2=C(CCC1)C(C3=C4C=CC=C3)=C(C=C4)NC2C5=CC=C(N(C)C)C=C5,0.0
45364,CO-ADD:0159789,2.85,O=C(CCNC(C=C1)=CC=C1C)C2=CC=CS2,0.0
45365,CO-ADD:0160082,2.84,O=C(C1)N(C(C=C2)=CC=C2C)CC1C(NC3=CC=CC=C3CC)=O,0.0
45366,CO-ADD:0160005,2.84,O=C1SC2=C(O1)C(C)=C(Br)C(OC(OCC)=O)=C2Br,0.0
45367,CO-ADD:0155798,2.84,O=C(NC(C=C1)=CC=C1NC(C2CC2CCCC)=O)C3CC3CCCC,0.0
45368,CO-ADD:0155806,2.84,FC(C(F)(F)C(NC(CC(C)C)C(O)=O)=O)(F)C(F)(F)C(NC(CC(C)C)C(O)=O)=O,0.0
45369,CO-ADD:0156507,2.84,N#CC(C=C1)=CC=C1/C=N/NC(C2=CC=CO2)=O,0.0
45370,CO-ADD:0155579,2.84,[O-][N+](C1=CC=CC(C2=CC=C(/C=C3N=C(C4=CC=CC=C4Cl)OC\3=O)O2)=C1)=O,0.0
45371,CO-ADD:0158716,2.84,N#CC(C(SCC(NC1=CC=C(C)C=C1)=O)=NC(C)=C2)=C2C(F)(F)F,0.0
45372,CO-ADD:0158748,2.84,[O-][N+](C1=CC(C(N2)=NC(C3=CC=CC=C3)=C2C4=CC=CC=C4)=CC=C1Cl)=O,0.0
45373,CO-ADD:0154531,2.84,N/C(OCC)=CC#N,0.0
45374,CO-ADD:0154375,2.84,O=C(CCC)NCC1=C(C2=CC=C(Cl)C=C2)N=C3N1C=CC=C3,0.0
45375,CO-ADD:0162454,2.84,n(c1NCCCC)c(NCCCCCCCC)nc(OCC)n1,0.0
45376,CO-ADD:0162147,2.84,C(=O)(c1cccc(I)c1)N\N=C(/C)\CC(=O)Nc(cc2)ccc2C,0.0
45377,CO-ADD:0154324,2.84,NC1=C2C(CCCC2)=NC3=C1C(C4=CC=C(O)C=C4)C5=C(O3)C=CC6=C5C=CC=C6,0.0
45378,CO-ADD:0154332,2.84,NC1=C2C(CCC2)=NC3=C1C(C4=CC=CC=C4OC)C(C(OCC)=O)=C(C)O3,0.0
45379,CO-ADD:0161833,2.84,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O,0.0
45380,CO-ADD:0161865,2.84,N(=C(/C)\c1ccccc1)/NC(CNc(cc2)ccc2C)=O,0.0
45381,CO-ADD:0161671,2.84,C(COc(cc1)ccc1Cl)(=O)N\N=C\c2cccc(cccc3)c23,0.0
45382,CO-ADD:0161975,2.84,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c2ccccc2Cl,0.0
45383,CO-ADD:0161719,2.84,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\c2ccc(cc2O)C,0.0
45384,CO-ADD:0161727,2.84,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc2ccc(cc2Cl)Cl)=O)c3ccccc3Cl,0.0
45385,CO-ADD:0157935,2.84,N#CC1=C(OCC(N/N=C/C(C=CC=C2)=C2Cl)=O)N=C(C)C=C1C,0.0
45386,CO-ADD:0158463,2.84,O=C(C1=CC(I)=CC=C1)NC(C(C=CC=C2)=C2O3)C4=C3C=CC=C4,0.0
45387,CO-ADD:0158031,2.84,O=C(NCCO)CC1=C(SC2=CC=CC=C2)C(C=CC=C3)=C3N1C,0.0
45388,CO-ADD:0158495,2.84,N#CC(C(OCC(N/N=C/C(C=C1)=CC=C1O)=O)=N2)=C(COC)C=C2C,0.0
45389,CO-ADD:0157840,2.84,O=C1/C(N=C(C(C=C2)=CC=C2Cl)O1)=C/C(C)=C/C3=CC=CC=C3,0.0
45390,CO-ADD:0157362,2.84,O=C(COC1=CC=C(C)C=C1)N/N=C/C(C=CC=C2)=C2OCCC,0.0
45391,CO-ADD:0155957,2.84,O=C(NC1=CC=CC=C21)C2(C(C(C=CC=C3)=C3C=C4)=C4O5)C6=C5C7=CC=CC=C7C=C6,0.0
45392,CO-ADD:0161258,2.84,C1(=O)N(\N=C\c(cc2)ccc2N(CC)CC)C(C)=CC(C)=C1C(N)=O,0.0
45393,CO-ADD:0284537,2.84,c(CC(=O)N\N=C\c1ccccc1O)(c2c([nH]3)cccc2)c3,0.0
45394,CO-ADD:0160163,2.84,O=C(COC(C=C1)=CC=C1OC)OCC(C(C=C2)=CC=C2Br)=O,0.0
45395,CO-ADD:0160651,2.84,O=C(OC)NC1(OC2=CC=CC=C2O1)C(Cl)(Cl)Cl,0.0
45396,CO-ADD:0161263,2.84,C(C#N)(C1c2ccc(cc2)OCC=C)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
45397,CO-ADD:0161326,2.84,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
45398,CO-ADD:0161087,2.84,c1(c2c3c(cccc3)cc(cccc4)c24)cc([nH]n1)c(cc5)ccc5[N+](=O)[O-],0.0
45399,CO-ADD:0160272,2.84,ClC1=CC=C(Cl)C=C1C2=CC=C(/C=N/C3=CC=CC(C4=NC(C=C5)=C(C=C5C)O4)=C3)O2,0.0
45400,CO-ADD:0160280,2.84,ClC1=C(OC)C=CC(/C=N/C2=CC(N=C(C(C=C3)=CC=C3C(C)(C)C)O4)=C4C=C2)=C1,0.0
45401,CO-ADD:0160161,2.84,O=C(OCC(C(C=C1)=CC=C1Br)=O)COC2=C(C(C)C)C=CC(C)=C2,0.0
45402,CO-ADD:0155809,2.84,O=C(CCSC(C=C1)=CC=C1Cl)N/N=C(C)\C2=CC=CC=C2O,0.0
45403,CO-ADD:0156321,2.84,ClC(N(C1=CC=CC=C1)N=C2C)=C2/C=N/NC(COC(C(Br)=C3)=CC=C3OC)=O,0.0
45404,CO-ADD:0155836,2.83,O=C(C1=CC(C)=CC=C1)NC2=CC=C(C=C2)C(NCCCCCCCCCCCC)=O,0.0
45405,CO-ADD:0155580,2.83,O=C(C/C(C)=N/NC(COC1=CC=C(C(C)=C1)Br)=O)NC2[C@@H]3C[C@@H](C4)C[C@H]2C[C@@H]4C3,0.0
45406,CO-ADD:0155644,2.83,O=C(C1=C2C=CC(OC3=CC=C(N)C=C3)=C1)N(C4=CC=CC(C(O)=O)=C4)C2=O,0.0
45407,CO-ADD:0158725,2.83,S=C(O1)N(CNC2=NC=CC=C2)C3=C1C=CC=C3,0.0
45408,CO-ADD:0162502,2.83,C(\C=N\C1CCCC1)(=C(C)NN2c(cc3)ccc3[N+](=O)[O-])C2=O,0.0
45409,CO-ADD:0162534,2.83,N(CC1)(CCO1)c2ccc(cc2)\C=N\c(cccc3C(O)=O)c3,0.0
45410,CO-ADD:0154508,2.83,O=C(/C(N1)=C/C2=CNC3=C2C=CC=C3)NC1=S,0.0
45411,CO-ADD:0161974,2.83,c1(c(C)cc(cc1C)C)NC(=O)CCN2CCCCC2,0.0
45412,CO-ADD:0162006,2.83,C(=O)(OC(C)(C)C)Nc1ccccc1Cl,0.0
45413,CO-ADD:0161870,2.83,[N+](=O)([O-])c1c(C)ccc(c1)\N=C\c(cc2)ccc2OC(=O)c3cccc(cccc4)c34,0.0
45414,CO-ADD:0161850,2.83,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)N3CCCCC3)c1,0.0
45415,CO-ADD:0161976,2.83,C(=O)(c1ccc(cc1)NC(CCCCCCC)=O)NC2CCCCC2,0.0
45416,CO-ADD:0161984,2.83,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)N\N=C\CCCCCCCCCCC)c1,0.0
45417,CO-ADD:0161704,2.83,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(ccc(c4Cl)OC)c4,0.0
45418,CO-ADD:0162000,2.83,c12c(NC(CN=C1c3ccccc3)=O)c4c(ccc(Br)c4)o2,0.0
45419,CO-ADD:0161977,2.83,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\CCC=C,0.0
45420,CO-ADD:0157402,2.83,CNC1=NC(N/N=C/C2=C(OC)C=C(OC)C=C2)=NC(NC3=CC=CC=C3)=N1,0.0
45421,CO-ADD:0158111,2.83,[O-][N+](C(C=CC=C1)=C1OCC(N/N=C/C2=CC(Br)=C(OC)C=C2)=O)=O,0.0
45422,CO-ADD:0157375,2.83,O=C(COC(C=CC=C1)=C1CC=C)N/N=C/C(C=C2)=C(OC(C)=O)C=C2OC(C)=O,0.0
45423,CO-ADD:0158064,2.83,S=C(N(CCC)CCC)OC1=CC=C(C=C1)C(NC2=CC=C(OC)C=C2)=O,0.0
45424,CO-ADD:0156904,2.83,[O-][N+](C1=CC=C(C(OC)=C1)C2=CC=C(C=O)O2)=O,0.0
45425,CO-ADD:0157677,2.83,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=C(C)NC4=C3C=CC=C4)=NC(N5CCCC5)=N2)=O,0.0
45426,CO-ADD:0277644,2.83,C12(c3ccccc3)C(C1(Cl)Cl)Cc(cccc4)c4O2,0.0
45427,CO-ADD:0161618,2.83,c1(O)c(OCC)cc(cc1I)\C=N\NC(COc(cc2)ccc2C)=O,0.0
45428,CO-ADD:0277790,2.83,C(C(c1ccccc1)=O)(C(=O)C(N2c3cccc(cccc4)c34)=O)=C2C(OC)=O,0.0
45429,CO-ADD:0277518,2.83,c1(SC)nccn1CC(=O)Nc(cc2)ccc2F,0.0
45430,CO-ADD:0160095,2.83,OC(C(I)=CC=C1)=C1/C=N/C2=CC=C(O)C(C3=NC(C=CC=C4)=C4O3)=C2,0.0
45431,CO-ADD:0161457,2.83,C(=C/C=C/C=C/C=C/c1ccccc1)(/C#N)\C#N,0.0
45432,CO-ADD:0160169,2.83,[O-][N+](C1=CC(C(NC2=CC=CC3=CC=CN=C23)=O)=CC=C1)=O,0.0
45433,CO-ADD:0160193,2.83,[O-][N+](C1=CC=CC(/C=N/C2=CC=C(C=C2)N3CCOCC3)=C1O)=O,0.0
45434,CO-ADD:0160601,2.83,O=P(N(CC)CC)(N(CC)CC)C(Cl)C(F)(F)F,0.0
45435,CO-ADD:0160265,2.83,O=C(NC1CCCCC1)NC2=CC=CC(NC(NC3CCCCC3)=O)=C2,0.0
45436,CO-ADD:0160658,2.83,O=P(O)(O)C1=CC(O)=CC=C1,0.0
45437,CO-ADD:0158576,2.83,O=C(OCCNC(C)(C)C)CC1=CC=CC2=C1C=CC=C2.Cl,0.0
45438,CO-ADD:0155641,2.83,O=C(C1=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=CC=C31)N(C4=CC5=C(C=C4)C(N(C)C5=O)=O)C3=O,0.0
45439,CO-ADD:0158755,2.83,O=C(C1=CC=CC(Br)=C1)OC(C(OC)=C2)=CC=C2/C=N/NC(CNC(C3=CC=C(Cl)C=C3)=O)=O,0.0
45440,CO-ADD:0155631,2.82,O=C(C(C)C)NC1=NC=NN1,0.0
45441,CO-ADD:0158771,2.82,O=C(COC1=CC(Cl)=CC=C1)N/N=C/C2=CNC3=C2C=C(Br)C=C3,0.0
45442,CO-ADD:0156290,2.82,[O-][N+](C(C=CC=C1)=C1OCC(N/N=C/C2=CNN=C2C3=CC=CC=C3)=O)=O,0.0
45443,CO-ADD:0156314,2.82,O=C(NCC(N/N=C(C)/C(C=C1)=CC=C1F)=O)C2=CC=CO2,0.0
45444,CO-ADD:0161883,2.82,c(\C=N\NC(COc(cc1)ccc1Cl)=O)(cc(Br)cc2Br)c2O,0.0
45445,CO-ADD:0161940,2.82,C(NCCCCCCCCCCCCCCCCCC)(=O)c1ccc(cc1)NC(CCCCCCC)=O,0.0
45446,CO-ADD:0162425,2.82,c1(nnc(C)s1)NC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
45447,CO-ADD:0162817,2.82,C(=O)(Nc(cc1)ccc1OCCCCCCCC)Nc2cccc(c2)NC(=O)Nc(cc3)ccc3OCCCCCCCC,0.0
45448,CO-ADD:0162438,2.82,N1(c2cccc(c2)C(OC)=O)C(=O)c(c3C1=O)ccc(C(OC)=O)c3,0.0
45449,CO-ADD:0154352,2.82,C#CCN(C(C(C#N)=C1C2=CC=CC=C2)=NC(NCC3CCN(CC4=CC=CC=C4)CC3)=C1C#N)C.Cl,0.0
45450,CO-ADD:0161993,2.82,c1(c(C)nn(c2ccccc2)c1O)C(c(cc3)ccc3N(C)C)c4c(C)nn(c5ccccc5)c4O,0.0
45451,CO-ADD:0161713,2.82,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)ccc2OC(c3ccccc3)=O,0.0
45452,CO-ADD:0161680,2.82,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc(cc2)ccc2C)=O)c3ccccc3Cl,0.0
45453,CO-ADD:0161979,2.82,c1(ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc2c(Cl)cc(cc2Cl)Br,0.0
45454,CO-ADD:0158109,2.82,O=C(N/N=C(C)/CC(NC(C=C1)=CC=C1F)=O)C(NC2=CC(Cl)=C(C)C=C2)=O,0.0
45455,CO-ADD:0158105,2.82,O=C(C(C=C1)=CC=C1Br)OC(C=C2)=CC=C2/C=N/NCC3=CC=C(C=C3)Cl,0.0
45456,CO-ADD:0156884,2.82,O=C(OC)NC(N=C1)=CC=C1Cl,0.0
45457,CO-ADD:0155214,2.82,O=C1OC2=C(C=C1)C=CC(/N=C/C3=CC=C(Cl)C=C3)=C2,0.0
45458,CO-ADD:0155342,2.82,O=C(CCC1=CC=CC=C1)NC(N=C2)=CC=C2Cl,0.0
45459,CO-ADD:0155015,2.82,O=C(C1=CC=C(Cl)C=C1)C2=C(N)C3=C(N=C4CCN(C)CC4=C3)S2,0.0
45460,CO-ADD:0161273,2.82,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c(cc2)ccc2c3ccccc3,0.0
45461,CO-ADD:0161585,2.82,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2C)=O)F)c1,0.0
45462,CO-ADD:0160421,2.82,O=C(NC1=CC=C(C=C1)C(N/N=C/C2=CC(Br)=CC(Br)=C2O)=O)C(C=CC=C3)=C3Cl,0.0
45463,CO-ADD:0160437,2.82,O=C(NCCCCCCCCCCCCCCCCCC)C(C=C1)=CC=C1NC(CCCCC)=O,0.0
45464,CO-ADD:0159918,2.82,O=C1NC(C(Br)=CC=C2)=C2/C1=N/NC(C(C=C3)=CC=C3Cl)=O,0.0
45465,CO-ADD:0159958,2.82,[O-][N+](C1=CC(/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCCCC4)=N2)=C(O)C=C1)=O,0.0
45466,CO-ADD:0158625,2.82,O=C(C1=C2C=CC(C(O)=O)=C1)N(C3=CC(C(OCCCC)=O)=CC=C3)C2=O,0.0
45467,CO-ADD:0155555,2.82,N#CC([C@H](C1=CC=CC=C1OC)[C@H]2C(C(C=C3)=CC=C3C)=O)(C#N)[C@]4([H])N2C(C=CC=C5)=C5C=C4,0.0
45468,CO-ADD:0158575,2.82,[O-][N+](C(C=C1)=CC=C1NC2=NC(N3CCOCC3)=NC(N/N=C(C)/C4=CC=CC=C4)=N2)=O,0.0
45469,CO-ADD:0155544,2.82,O=C(/C1=C\C2=C(O)N(N=C2C)C3=CC=CC(Cl)=C3)N(N=C1C)C(C=C4C)=CC=C4C,0.0
45470,CO-ADD:0155376,2.82,O=C(C1=CC(Br)=CC=C21)N(C(C=C3)=CC=C3C(OCC(C4=CC=CC=C4)=O)=O)C2=O,0.0
45471,CO-ADD:0158770,2.82,O=C(N/N=C/C1=CC(Br)=CC=C1OCCC)C(C)OC(C=CC=C2)=C2Br,0.0
45472,CO-ADD:0156256,2.82,O=C(C1=CC(C(OC)=O)=CC=C21)N(C3=CC=CC(NC(C)=O)=C3)C2=O,0.0
45473,CO-ADD:0156424,2.82,O=C(NC1=CC=C(CC)C=C1)CSC2=NC3=CC=C(OCC)C=C3S2,0.0
45474,CO-ADD:0155104,2.82,N#CC1(C#N)[C@@]2([H])N([C@@H](C(C(C=C3)=CC=C3C)=O)[C@@H]1C4=CC=C(F)C=C4)C=CC5=C2C=CC=C5,0.0
45475,CO-ADD:0155080,2.82,O=C(N1)C(C(NC1=O)=O)=C(N)NC(C2=CC=CC=C2)=O,0.0
45476,CO-ADD:0155099,2.82,N#CC([C@H](C(C=CC=C1)=C1OC)[C@H]2C(C)=O)(C#N)[C@]3([H])N2C(C=CC=C4)=C4C=C3,0.0
45477,CO-ADD:0154358,2.82,BrC1=C(N)C(C#N)=CC(Br)=C1,0.0
45478,CO-ADD:0154402,2.82,O=C(N/N=C/C1=CNC2=C1C=CC=C2)C3=CC4=CC=CC=C4N3,0.0
45479,CO-ADD:0154456,2.82,CN(C)CC1=CC2=CC(OC)=CC=C2N1C,0.0
45480,CO-ADD:0154462,2.82,CC1=C(C2=CC(OC)=CC=C2N1)C(OCC)=O,0.0
45481,CO-ADD:0154298,2.82,N1(C2=CC=CC=C2)N=CC3=C1N=CN=C3NCC4=CC=CC=C4,0.0
45482,CO-ADD:0154393,2.82,O=C(N(N([H])C(CC1=CC=CC=C1)CC2=CC=CC=C2)[H])C3=CC4=CC=CC=C4N3,0.0
45483,CO-ADD:0155008,2.82,N#CC(C#N)=CC1=CC(OC2=CC=CC=C2)=CC=C1,0.0
45484,CO-ADD:0155048,2.82,NC1=NC2=NON=C2C(NC)=N1,0.0
45485,CO-ADD:0155072,2.82,O=C1NC(C(CCCCC(OCC)=O)=O)=C(CSC2=NC(O)=NC3=C2N=CN3)N1,0.0
45486,CO-ADD:0155296,2.82,O=C(COC1=CC=C(OC)C=C1)N/N=C(C)/CC(NC2=CC=C(C=C2)C(N)=O)=O,0.0
45487,CO-ADD:0155017,2.82,N#CC1=C([C-](C#N)C#N)NC(C2CC2)(O)C(C1C3=CC=C(C=C3)[N+]([O-])=O)[N+](C=CC=C4)=C4C,0.0
45488,CO-ADD:0155049,2.81,N#CC1=C2N(N=C1)C(C(F)(F)F)=CC(C3=CC=CC=C3)=N2,0.0
45489,CO-ADD:0155974,2.81,O=C(O/N=C1C2=C(OCC/1)C=C(OC)C=C2)C(C=CC=C3)=C3F,0.0
45490,CO-ADD:0258901,2.81,c1(SCC(=O)Nc2ccccc2Oc3ccccc3)nccn1C,0.0
45491,CO-ADD:0258917,2.81,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)F)n3c(cccc3)c1S(CCC)(=O)=O,0.0
45492,CO-ADD:0160132,2.81,BrC1=CC=C(C=C1)C2=CSC(N/N=C(C)\C3=CC=CC=C3)=N2,0.0
45493,CO-ADD:0160164,2.81,O=C(C1=C2[N+]([O-])=O)N(CNC(C=C3)=CC=C3Br)C(C1=CC=C2)=O,0.0
45494,CO-ADD:0156239,2.81,O=C(OCC1=CC=CC=C1)NC(C(N)=O)CC2=CNC3=C2C=CC=C3,0.0
45495,CO-ADD:0156263,2.81,ClC(C=C(Cl)C=C1)=C1/C=N/C2=CC=C(C(Cl)=C2)OC,0.0
45496,CO-ADD:0154817,2.81,O=C(C1=CC=CS1)NC(C(Cl)=CC=C2)=C2Cl,0.0
45497,CO-ADD:0156150,2.81,O=C(N/N=C/C(C=CC=C1)=C1Cl)C(C=C2)=CC=C2OCC3=CC(OC)=CC=C3,0.0
45498,CO-ADD:0156358,2.81,O=C(/C(C1=C2C(C)=CC(Br)=C1)=N\NC(COC3=CC(Br)=CC=C3)=O)N2C,0.0
45499,CO-ADD:0155371,2.81,[O-][N+](C(C=C1[N+]([O-])=O)=C(C=C1)N/N=C2C3=NON=C3CCC/2)=O,0.0
45500,CO-ADD:0155147,2.81,O=C(OCC)C1=C(C)OC(N=C(N=C2N)O)=C2C1C3=CC=CC=C3,0.0
45501,CO-ADD:0155155,2.81,O=C1NC(N/N=C/C2=CC=C(Cl)C=C2)=NC3=C1C=CC=C3,0.0
45502,CO-ADD:0155180,2.81,[O-][N+](C(C=C1)=CC=C1OC(C(CCC(OCC2=CC=CC=C2)=O)NC(OC(C)(C)C)=O)=O)=O,0.0
45503,CO-ADD:0156428,2.81,O=C(C(C=C1)=CC=C1C)NC2=NON=C2C,0.0
45504,CO-ADD:0155660,2.81,O=C1C(C)=C(C2=CC=CC=C2)C(C3=CC=CC=C3)C1,0.0
45505,CO-ADD:0154385,2.81,O=C(NNCC1=CC=C(C(O)=C1)OC)C2=CC3=CC=CC=C3N2,0.0
45506,CO-ADD:0154541,2.81,O=C(C1=CC=CC=C1)/C(C#N)=C/C2=CC=CC=C2,0.0
45507,CO-ADD:0154423,2.81,C/C(CC1=CC=CC=C1)=N/NC(C2=CNC3=C2C=C(O)C=C3)=O,0.0
45508,CO-ADD:0162455,2.81,S(=O)(=O)(N(CC1)CCO1)c(c(Cl)cc(c2C(=O)Oc3ccc(cc3n4nc5c(cccc5)n4)C)Cl)c2,0.0
45509,CO-ADD:0162942,2.81,c1(Cl)cc(Cl)ccc1\C=N\NC(CCCC(=O)Nc(cc2)ccc2Cl)=O,0.0
45510,CO-ADD:0154427,2.81,[H]N(C(C1=CC=C(Cl)C=C1)=O)/N=C/C2=CNC3=C2C=CC=C3,0.0
45511,CO-ADD:0155185,2.81,O=C(C1=CC=CN=C1)N/N=C/C2=CC=C(C3=CC=C(Cl)C=C3)O2,0.0
45512,CO-ADD:0155193,2.81,O=C(NC(C=C1)=CC=C1F)C(C2)(C3=CC=CC=C3)C2(Cl)Cl,0.0
45513,CO-ADD:0155217,2.81,N#CC1=C(C)C(/C=N/NC2=CC=CC(Cl)=C2)=C(O)N3C1=NC4=CC=CC=C34,0.0
45514,CO-ADD:0155034,2.81,N#CC1(C#N)[C@]2([H])N([C@H](C(C(C=C3)=CC=C3F)=O)[C@H]1C4=CC=CC=C4)C(C=CC(Cl)=C5)=C5C=C2,0.0
45515,CO-ADD:0158363,2.81,O=C1C=C(OC2=C1C=CC=C2)NC(OCC3=CC=CC=C3)=O,0.0
45516,CO-ADD:0161563,2.81,C(F)(F)(C(F)(F)C(F)F)C(F)(F)C(=O)Nc1cccc(F)c1,0.0
45517,CO-ADD:0161611,2.81,C(=O)(Nc1cccc(Cl)c1)c2ccccc2NC(c3ccccc3)=O,0.0
45518,CO-ADD:0160596,2.81,O=C(N/N=C(C)/CC(NC1=CC(C)=CC=C1OC)=O)C2=CC=CC(C)=C2O,0.0
45519,CO-ADD:0160604,2.81,O=S(CC1C(C2CS(=O)(CC2)=O)[N+]([O-])=O)(CC1)=O,0.0
45520,CO-ADD:0161596,2.81,[N+](=O)([O-])c(ccc(c1\C=N\NC(c(cc2)ccn2)=O)F)c1,0.0
45521,CO-ADD:0161477,2.81,N1(CNc2cccc(Br)c2)C(=O)\C(\SC1=O)=C\c3ccccc3OC,0.0
45522,CO-ADD:0154913,2.81,N#CC1=C(N)OC(NN=C2C)=C2C1C(C=CC=C3)=C3I,0.0
45523,CO-ADD:0154804,2.81,O=C(OCC)C1=C(C)N=C(C(/C(C2)=N/O)=C1C3=CC=CC=C3)CC2(C)C,0.0
45524,CO-ADD:0154868,2.81,N#CC(C(C1=CC=CS1)C(C(OCC)=O)=C(C2=CC=CC=C2)O3)=C3N,0.0
45525,CO-ADD:0154976,2.81,N#CC1=C(SCC(C2=CC=CC=C2)=O)N=C(C)C=C1C(F)(F)F,0.0
45526,CO-ADD:0155271,2.81,[O-][N+](C(C=C1)=CC=C1C(CSC2=NC=CN2CC3=CC=CC=C3)=O)=O,0.0
45527,CO-ADD:0155559,2.81,O=C(/C(CN(CCC)C/1)=C/C2=CC(I)=CC=C2)C1=C\C3=CC(I)=CC=C3,0.0
45528,CO-ADD:0155907,2.81,N#CC(C(C1=CC=CN=C1)C(C2=O)=C(C=C(C)O2)O3)=C3N,0.0
45529,CO-ADD:0155871,2.81,O=C(N(C1CCCCC1)C2CCCCC2)C3=CC=CC=C3C(NC(CC(C)C)C(NC(CC(C)C)C(OC)=O)=O)=O,0.0
45530,CO-ADD:0156521,2.8,O=C(C1=CC(C(C2=CC=C3C(N(C(C=C4)=CC=C4/N=N/C5=CC=CC=C5)C(C3=C2)=O)=O)=O)=CC=C61)N(C(C=C7)=CC=C7/N=N/C8=CC=CC=C8)C6=O,0.0
45531,CO-ADD:0156329,2.8,O=C1/C(SC2=CC=CC=C12)=C/C3=CC=C(C4=CC(C(O)=O)=C(Cl)C=C4)O3,0.0
45532,CO-ADD:0161205,2.8,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\Nc3sc(c(C)c3C#N)C(OCC)=O,0.0
45533,CO-ADD:0161421,2.8,N1(c2ccccc2c3ccccc3)C(=O)c(c4C1=O)ccc(C(=O)c(ccc(c5C6=O)C(N6c7ccccc7c8ccccc8)=O)c5)c4,0.0
45534,CO-ADD:0161166,2.8,c1(\C=N\NC(COc(ccc(c2C)C)c2)=O)c[nH]nc1c3ccccc3,0.0
45535,CO-ADD:0161358,2.8,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(CSc3nc(C)cc(C)c3C#N)OC(N)=C1C#N,0.0
45536,CO-ADD:0162844,2.8,C(NCCCCCCNC(=O)Nc(cc1)ccc1C(OCC)=O)(=O)Nc(cc2)ccc2C(OCC)=O,0.0
45537,CO-ADD:0162772,2.8,c1(ccccc1OCc2cccc(Br)c2)C(=O)N\N=C\c(cc3)ccc3I,0.0
45538,CO-ADD:0158123,2.8,O=C(N/N=C/C1=CC=C(C=C1)OCC2=CC=C(Cl)C=C2)C(NCC3=CC=CC=C3)=O,0.0
45539,CO-ADD:0156971,2.8,N#CC(C1C2=CC=C(C=C2)[N+]([O-])=O)=C(N)N(C3=O)C(S/C3=C\C4=CC=C(C=C4)[N+]([O-])=O)=C1C#N,0.0
45540,CO-ADD:0155266,2.8,O=C1CN(C(C2=CC=CC=C2)=O)C(C(C(Cl)=C3)=CC=C3Cl)N1OC(C)C,0.0
45541,CO-ADD:0155747,2.8,[O-][N+](C1=CC(Br)=CC(/C=N/C2=C(C(OCC)=O)C3CCCCC3S2)=C1O)=O,0.0
45542,CO-ADD:0155307,2.8,S=C(OC1=CC(C(NC2=C(C=CC=C3)C3=CC=C2)=O)=CC=C1)NC4=CC=CC(C)=C4C,0.0
45543,CO-ADD:0155211,2.8,O=C(OC)C(C1=C2C=CC(O)=C1)=C(C)N2C,0.0
45544,CO-ADD:0161125,2.8,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c4ccco4,0.0
45545,CO-ADD:0160285,2.8,[O-][N+](C1=CSC(/C(C)=N/NC(C2=CC=CN=C2)=O)=C1)=O,0.0
45546,CO-ADD:0161329,2.8,c(C(OCC)=O)(sc(c12)nc(cc1c3ccc(cc3)F)c4cccs4)c2N,0.0
45547,CO-ADD:0161074,2.8,c1(csc(\C=N\NC(COc2ccccc2C)=O)c1)[N+](=O)[O-],0.0
45548,CO-ADD:0161458,2.8,S(=O)(=O)(c1ccc(cc1)N)NC(N)=N,0.0
45549,CO-ADD:0154800,2.8,O=C(CC1=CC=CC=C1)NC2=CC=C(C=C2)C3=NC(C=C4)=C(C=C4NC(CC5=CC=CC=C5)=O)C(C6=CC=CC=C6)=N3,0.0
45550,CO-ADD:0154900,2.8,C/C(CS(=O)([O-])=O)=C/C[N+]1([H])C=NC=C1,0.0
45551,CO-ADD:0154908,2.8,N#CC1=C(N)OC(NN=C2C)=C2C1C3=C(Cl)C=C(Cl)C=C3,0.0
45552,CO-ADD:0156233,2.8,O=C(C/C(C)=N/NC(COC(C(C)=C1)=CC=C1Br)=O)NC2=C(OC)C=CC(OC)=C2,0.0
45553,CO-ADD:0155097,2.8,N#CC1=CC=C(C)N=C1SCC2=CC=CC=C2F,0.0
45554,CO-ADD:0155105,2.8,N#CC([C@@H](C(C=CC=C1)=C1F)[C@@H]2C(C(C=C3)=CC=C3C)=O)(C#N)[C@@]4([H])N2C=CC5=C4C=CC=C5,0.0
45555,CO-ADD:0158413,2.8,O=C(C(C=C1)=CC=C1NC(CCCCCCC)=O)NC2=CC=CC=C2OCC,0.0
45556,CO-ADD:0155468,2.8,N#CC1=C(C)C(/C=N/C2=C(C)C=CC=C2C)=C(O)N3C1=NC4=C3C=CC=C4,0.0
45557,CO-ADD:0154789,2.8,O=C(CCCCCCCCC)NC1=CC=C(O)C=C1,0.0
45558,CO-ADD:0162800,2.8,C(=C\CCC)(/C(=O)N\N=C\c1ccccc1[N+](=O)[O-])\C(=O)N\N=C\c2ccccc2[N+](=O)[O-],0.0
45559,CO-ADD:0162896,2.8,C(=N/c1ccccc1)(/SC=C2c3ccccc3)\N2c4ccccc4,0.0
45560,CO-ADD:0162402,2.8,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C(/C)\c2ccccc2,0.0
45561,CO-ADD:0162754,2.8,N(=C\c(cc1)ccc1N(C)C)/NC(CCCc(cc2)ccc2OC)=O,0.0
45562,CO-ADD:0162424,2.8,c1(nncs1)NC(=O)Nc2ccccc2,0.0
45563,CO-ADD:0155235,2.8,O=C1C(C(C2=CC=C(OC)C=C2)C3)=C(CC(C)(C)C1)NC3=O,0.0
45565,CO-ADD:0160292,2.79,[O-][N+](C1=CSC(/C(C)=N/NC(/C(NC(C2=CC=CC=C2)=O)=C/C=C/C3=CC=CC=C3)=O)=C1)=O,0.0
45566,CO-ADD:0161472,2.79,c1(NC(c2ccccc2)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
45567,CO-ADD:0161096,2.79,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(c(cc3)ccn3)=O)o1,0.0
45568,CO-ADD:0161480,2.79,c1(NC(CCl)=O)nnc(CC)s1,0.0
45569,CO-ADD:0161082,2.79,C1(C(=O)Oc(cc2)ccc2OC(=O)C3C4C3CCCC4)C(C15)CCCC5,0.0
45570,CO-ADD:0161597,2.79,[N+](=O)([O-])c(ccc(c1\C=N\NC(c(cc2)ccn2)=O)N(C)C)c1,0.0
45571,CO-ADD:0160315,2.79,O=S(N(C(C)(C)C1)C(C)(C)CC1=NNC(COC2=C(C(C)C)C=CC(C)=C2)=O)(C3=CC=C(OCCCCCCCCCCCCCCC)C=C3)=O,0.0
45572,CO-ADD:0160205,2.79,ClC1=CC(C2=CC=C(/C=N/C3=CC=C4C(N=C(C5=CC=C(F)C=C5)O4)=C3)O2)=CC=C1Cl,0.0
45573,CO-ADD:0160645,2.79,O=C(C1=C2C=CC(C(OCCC)=O)=C1)N(C(C=C3)=CC=C3C(OCCC)=O)C2=O,0.0
45574,CO-ADD:0160269,2.79,O=C(C(C=C1OC)=CC=C1OC)NCC(N/N=C/C2=COC(C3=CC=C(Br)C=C3)=C2)=O,0.0
45575,CO-ADD:0158565,2.79,O=C(C1=CC=CC=N1)N/N=C/C2=CC(Br)=C(O)C(Br)=C2O,0.0
45576,CO-ADD:0158666,2.79,O=C1/C(N=C(C2=CC=C3OCOC3=C2)O1)=C\C4=CC=CC=C4Br,0.0
45577,CO-ADD:0158522,2.79,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C(C)/C2=CC=C3CCCCC3=C2,0.0
45578,CO-ADD:0158530,2.79,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C\C(C=CC=C3)=C3F)=NC(N4CCCCC4)=N2)=O,0.0
45579,CO-ADD:0155398,2.79,O=C(CC1=CC=CC=C1)NCCNC(CC2=CC=CC=C2)=O,0.0
45580,CO-ADD:0156229,2.79,O=C(COC(C=C1)=CC=C1C)N/N=C/C2=C(O)C=CC(C)=C2,0.0
45581,CO-ADD:0155914,2.79,FC(OC(F)1F)(C(F)(F)C(NC2=CC=C(C=C2)C(N(CC)CC)=O)=O)C(F)(F)C1(F)F,0.0
45582,CO-ADD:0155854,2.79,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC(C(O)=C3)=CC=C3CC4=CC(O)=C(C=C4)NC(C(C5=CC=CC=C5)C6=CC=CC=C6)=O,0.0
45583,CO-ADD:0155850,2.79,O=C(CNC1=CC=CC2=C1C=CC=C2)N/N=C/C3=CC(I)=C(O)C(I)=C3,0.0
45584,CO-ADD:0155106,2.79,N#CC([C@@H](C(C=CC=C1)=C1I)[C@@H]2C(C(C=C3)=CC=C3C)=O)(C#N)[C@@]4([H])N2C=CC5=C4C=CC=C5,0.0
45585,CO-ADD:0154891,2.79,ON=C(C1=C2C=CC=C1)C3=C2C=CC=C3,0.0
45586,CO-ADD:0162749,2.79,C(=O)(N\N=C\c(ccc(c1OC)O)c1)c2ccc(c(OC)c2)OC,0.0
45587,CO-ADD:0162757,2.79,C(NCCOc1ccccc1C)(=O)Nc(cc2)ccc2OCCCCCCCCCC,0.0
45588,CO-ADD:0162773,2.79,C(COc1cccc(Br)c1)(=O)N\N=C\c2ccccc2OC(C)=O,0.0
45589,CO-ADD:0162788,2.79,N(c1ccccc1I)C(CCC(=O)N\N=C\c(cc2)ccc2F)=O,0.0
45590,CO-ADD:0161692,2.79,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2cccc(O)c2,0.0
45591,CO-ADD:0161708,2.79,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(cccc4[N+](=O)[O-])c4O,0.0
45592,CO-ADD:0159827,2.79,FC(F)(F)C1=CC=CC(N(C(C(C=C2)=CC=C2Cl)C3)N=C3C(C=C4)=CC=C4OC)=C1,0.0
45593,CO-ADD:0159751,2.79,O=C(C1=CC=CC=C1)NC2=CC=C(C=C2)/C(C)=N/NC(C3=CC=CC=C3O)=O,0.0
45594,CO-ADD:0159932,2.79,O=C(N/N=C\C1=C(OC)C=CC(OC)=C1)C2=CC(Br)=CC=C2O,0.0
45595,CO-ADD:0160420,2.79,O=C(N/N=C/C=C/C1=CC=CC=C1)C(C=C2)=CC=C2NC(CCCCCC)=O,0.0
45596,CO-ADD:0160436,2.79,[O-][N+](C(C=C1)=CC=C1C(N2)=NC(C3=CC=CC=C3)=C2C4=CC=C(C=C4)[N+]([O-])=O)=O,0.0
45597,CO-ADD:0159996,2.79,O=C(N/N=C/C1=CC(I)=C(C(I)=C1)O)/C(NC(C2=CC=CC=C2)=O)=C\C3=CC(OCO4)=C4C=C3,0.0
45598,CO-ADD:0160661,2.79,O=C(N/N=C/C1=CC=C(C(C)C)C=C1)C(NC(C=CC=C2)=C2CC)=O,0.0
45599,CO-ADD:0155953,2.79,BrC1=CC(/C=N/C2=CC=C(C=C2)C3=NC(C=C4)=C(C=C4C)S3)=C(OC)C=C1,0.0
45600,CO-ADD:0161070,2.79,s1c(\C=N\NC(COc2c(C)ccc(C(C)C)c2)=O)ccc1Br,0.0
45601,CO-ADD:0161286,2.79,C(C(OCC)=O)(=C(CSc1c(cc(c2n1)CCCCCC2)C#N)OC(=C3C#N)N)C3c4ccccc4Cl.Cl.Cl,0.0
45602,CO-ADD:0160183,2.79,O=C(C1=CC=C(F)C=C1)NC2=CC(SC3=CC=CC=C3)=CC(SC4=CC=CC=C4)=C2,0.0
45603,CO-ADD:0160679,2.79,O=C(N/N=C/C1=CC=C(C=C1)Cl)C(C)OC2=CC(C(C)C)=CC=C2C,0.0
45604,CO-ADD:0158586,2.79,S=C(N(C1=CC=CC=C1)C/2=O)N(C3=CC=C(C)C=C3)C(C2=C\C4=CC=C(C=C4)C(C)C)=O,0.0
45605,CO-ADD:0158553,2.79,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C2=CC=CC(OC)=C2,0.0
45606,CO-ADD:0158654,2.79,O=C(OC)C(C=C1)=CC=C1NC(CCN2CCN(C3=CC=CC=C3)CC2)=O,0.0
45607,CO-ADD:0155497,2.78,O=C(C1=CC=C(Br)C=C1)OC(C=C2)=CC=C2/C=N/C3=CC4=C(C=C3)OC(C5=CC=CN=C5)=N4,0.0
45608,CO-ADD:0158653,2.78,O=C(OCC)C(C1=C2C=CC(O)=C1)=C(C)N2CCCC,0.0
45609,CO-ADD:0155445,2.78,O=S(C1=C(Cl)C=CC(C(OCCC2=CC=CC=C2)=O)=C1)(N3CCOCC3)=O,0.0
45610,CO-ADD:0154790,2.78,O=C1C(C(C2=CC=CC=C2)C3C(N(N=C3C)C(C=C4)=CC=C4C)=O)C(C)=NN1C5=CC=C(C)C=C5,0.0
45611,CO-ADD:0156326,2.78,[O-][N+](C1=CC(Cl)=C(C=C1)C2=CC=C(/C=N/NC3=NN=C(C)N3N)O2)=O.Cl,0.0
45612,CO-ADD:0155942,2.78,O=C(C1N2CCN(CC2)C3=NC=CC=N3)N(C4=CC=CC=C4)C(C1)=O,0.0
45613,CO-ADD:0155118,2.78,N#CC1=C(N)OC(CCC2)=C(C2=O)C1C3=CSC=C3,0.0
45614,CO-ADD:0158410,2.78,O=C(C(C=C1)=CC=C1NC(C(C=C2)=CC=C2C)=O)NC3=CC=CC=C3C,0.0
45615,CO-ADD:0163458,2.78,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(=O)c(ccc(c23)OCCO2)c3)c1,0.0
45616,CO-ADD:0161916,2.78,c1(cc(Cl)cc(\C=N\c(cc2)ccc2F)c1O)[N+](=O)[O-],0.0
45617,CO-ADD:0161946,2.78,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\CCCC,0.0
45618,CO-ADD:0162750,2.78,c1(OCC(=O)N\N=C\c(cc(Br)cc2Br)c2OC)c(Br)cc(cc1Br)Br,0.0
45619,CO-ADD:0162862,2.78,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc2c(Cl)ccc(Cl)c2,0.0
45620,CO-ADD:0162894,2.78,c1(OC(CC)=O)cc(ccc1\C=N\NC(=O)c2ccc(cc2)NC(C)=O)OC(CC)=O,0.0
45621,CO-ADD:0162910,2.78,N1(CNc(cc2)ccc2C)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
45622,CO-ADD:0156479,2.78,O=C1C2=C(CC(C)(C)C1)N(C(C=C3Cl)=CC=C3C)C(C4=CC=CC=C4)=C2.CC(=O)O,0.0
45623,CO-ADD:0156503,2.78,O=C(OCCCCCCCCCC)NC1=CC=C(C(Cl)=C1)OC,0.0
45624,CO-ADD:0156143,2.78,O=C(CCNC1=CC=C(C(C)=C1)C)C2=CC=CS2,0.0
45625,CO-ADD:0154978,2.78,N#CC([C@H](C1=CC(Cl)=C(Cl)C=C1)[C@H]2C(C3(C[C@H]4C5)C[C@H]5C[C@H](C4)C3)=O)(C#N)[C@]6([H])N2C7=CC=CC=C7C=C6,0.0
45626,CO-ADD:0156191,2.78,O=C(N/N=C/C1=CC(OC)=CC=C1O)COC2=CC(C)=C(Br)C=C2C(C)C,0.0
45627,CO-ADD:0163390,2.78,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O)[N+](=O)[O-],0.0
45628,CO-ADD:0163967,2.78,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1C(N)=O)C(NCCOC)=O,0.0
45629,CO-ADD:0163741,2.78,C(=O)(N\N=C\c(ccc(c1OCC)OCCC)c1)C(=O)Nc2c(C)ccc(Cl)c2,0.0
45630,CO-ADD:0163490,2.78,c1(Br)c(Br)c(\C=N\NC(COc2ccc(cc2Br)OC)=O)cc(O)c1O,0.0
45631,CO-ADD:0163770,2.78,c1(\C=N\NC(=O)c(cc2)ccc2N(C)C)cc(OC)ccc1OC,0.0
45632,CO-ADD:0162918,2.78,[N+](=O)([O-])c1c(OCC)ccc(C(=O)c(ccc(c2[N+](=O)[O-])OCC)c2)c1,0.0
45633,CO-ADD:0162767,2.78,c1(\C=N\NC(=O)c2cccc(I)c2)c(cccc1Cl)Cl,0.0
45634,CO-ADD:0162371,2.78,c(c(O)ccc1Cl)(S2)c1OC2=O,0.0
45635,CO-ADD:0162501,2.78,c1(Cl)n(c2ccccc2)nc(C)c1C(=O)Nc(cc3)ccc3NC(C)=O,0.0
45636,CO-ADD:0154411,2.78,O=C(C1=CC=CC=C1)N/C(C(OC)=O)=CC2=CC=C(C=C2)OC,0.0
45637,CO-ADD:0161778,2.78,C(CNc1ccccc1)(=O)N\N=C/c(cc2)ccc2F,0.0
45638,CO-ADD:0156399,2.78,O=C(C(C=C1)=CC=C1Br)N(C2=CC=CC=C2)C/C(NC3=CC=CC=C3)=N/C4=CC=CC=C4,0.0
45639,CO-ADD:0154950,2.78,N#CC1=C(N)SC(N)=C(C#N)C1C2=CC=C(OCC)C=C2,0.0
45640,CO-ADD:0154798,2.78,O=C(OC1=C2C=CC(Br)=C1)N2C(C3=CC=C(OC)C=C3)=O,0.0
45641,CO-ADD:0154870,2.78,N#CC1=C(N)OC(NN=C2C)=C2C1C3=C(C)C=CS3,0.0
45642,CO-ADD:0154878,2.78,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C3=CC=C(C)S3,0.0
45643,CO-ADD:0158655,2.78,O=C1C2=C(CCC1)OC(C=C3)=C2C=C3OC(C)=O,0.0
45644,CO-ADD:0163778,2.78,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc(cccc2C(F)(F)F)c2,0.0
45645,CO-ADD:0163454,2.78,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(=O)c(ccc(c23)OCCO2)c3,0.0
45646,CO-ADD:0163715,2.78,C(=O)(Nc1cccc(Br)c1)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O,0.0
45647,CO-ADD:0163940,2.77,C(=C/c(cc1)ccc1[N+](=O)[O-])(/C(=O)N\N=C\c2ccccc2O)\C(=O)N\N=C\c3ccccc3O,0.0
45648,CO-ADD:0163476,2.77,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc(c3Br)OC)c3,0.0
45649,CO-ADD:0163708,2.77,C(NCCOc1cccc(cccc2)c12)(=S)Nc3ccc(cc3C)C,0.0
45650,CO-ADD:0162983,2.77,S(=O)(=O)(c1ccc(cc1)C)Oc2ccc(c3c2\C=N\NC(=O)CC(=O)N\N=C\c4c5c(cccc5)ccc4OS(=O)(=O)c6ccc(cc6)C)cccc3,0.0
45651,CO-ADD:0161195,2.77,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c2cccc(Cl)c2,0.0
45652,CO-ADD:0162807,2.77,N(=C(\CCC)/c1ccccc1)/NC(CCCc2ccccc2)=O,0.0
45653,CO-ADD:0162120,2.77,n1c(c2ccc(cc2)Br)cc(\N=C\c3ccc(cc3Cl)Cl)n1c4ccccc4,0.0
45654,CO-ADD:0162925,2.77,C(=O)(Nc1cccc(C)c1)C(NCCc(cc2)ccc2Cl)=O,0.0
45655,CO-ADD:0162984,2.77,S(=O)(=O)(c1ccc(cc1)C)Oc2ccc(c3c2\C=N\NC(=O)C(=O)N\N=C\c4c5c(cccc5)ccc4OS(=O)(=O)c6ccc(cc6)C)cccc3,0.0
45656,CO-ADD:0228250,2.77,c1(C(=O)N\N=C\c2ccccc2C(F)(F)F)nonc1N,0.0
45657,CO-ADD:0223168,2.77,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)Nc(cccc2C(=O)c3ccc(cc3)F)c2,0.0
45658,CO-ADD:0228373,2.77,c1(ccc(cc1[N+](=O)[O-])Cl)C(=O)Nc2cc(Br)cc(cccn3)c23,0.0
45659,CO-ADD:0223193,2.77,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(COc(cc2)ccc2Cl)=O,0.0
45660,CO-ADD:0228426,2.77,c1(SCC(=O)Nc2ccc(cc2C)C)sc3c(ccc(N)c3)n1,0.0
45661,CO-ADD:0228662,2.77,C(/c1c2cccc1)(\c3c2cccc3)=N/NC(=O)c(cc4)ccc4C(=O)c5c(C)cc(cc5C)C,0.0
45662,CO-ADD:0228321,2.77,c1(SCC(=O)Nc2ccccc2F)nnnn1C,0.0
45663,CO-ADD:0223212,2.77,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2cc(Cl)ccc2OC,0.0
45664,CO-ADD:0223558,2.77,C12=C(c3c(cccc3)CC14CCCCC4)NC(=S)NC2=O,0.0
45665,CO-ADD:0228129,2.77,C(=C(\C)/c(cccc1[N+](=O)[O-])c1)(/N=C(O2)C)\C2=O,0.0
45666,CO-ADD:0230865,2.77,c1(\C(\CC2)=N\NC(CCCCCCCC(=O)N\N=C(\C3)/c4c(C3)cc(OC)cc4)=O)c2cc(OC)cc1,0.0
45667,CO-ADD:0228106,2.77,c1(\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)cc(Br)cc(C)c1O,0.0
45668,CO-ADD:0232621,2.77,C1(C2c3ccc(cc3)C)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC4=O)=C24,0.0
45669,CO-ADD:0231979,2.77,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\C=C\c4ccccc4,0.0
45670,CO-ADD:0231961,2.77,c1(c(O)c(cc(c1)[N+](=O)[O-])\C=N\c2c(cccn2)O)[N+](=O)[O-],0.0
45671,CO-ADD:0235853,2.77,N(C(C)=O)(C1c(cc2)ccc2N(C)C)N=C(S1)NC(C)=O,0.0
45672,CO-ADD:0235061,2.77,C(=O)(c1ccc(cc1)F)c2cccc(c2)\N=C\c(cc3)ccc3F,0.0
45673,CO-ADD:0235593,2.77,N1(c2cccc(OC)c2)C(=O)CC(N3CCC(CC3)C)C1=O,0.0
45674,CO-ADD:0232218,2.77,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccc(cc2Br)Cl)=O)c3cccc(Br)c3,0.0
45675,CO-ADD:0232815,2.77,c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])(c1CCNc(cc2)ccc2N(C)C)[N+](=O)[O-],0.0
45676,CO-ADD:0230330,2.77,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(cc(C)cc2\C=N\NC(=O)c(cccc3[N+](=O)[O-])c3)c2OC)c1,0.0
45677,CO-ADD:0230285,2.77,[N+](=O)([O-])c1ccc(cc1)CSCC(OC)=O,0.0
45678,CO-ADD:0223699,2.77,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c2cc(OC)ccc2Br,0.0
45679,CO-ADD:0223192,2.77,c(\C=N\NC(=O)Cc1cccc(cccc2)c12)(cc(Br)cc3I)c3O,0.0
45680,CO-ADD:0230320,2.77,c12c(cc(C)nc1)c3c(cccc3)C2Nc4ccccc4,0.0
45681,CO-ADD:0230351,2.77,N1(CNc2cccc(F)c2)C(=O)\C(\SC1=O)=C\c3ccccc3,0.0
45682,CO-ADD:0228482,2.77,N1(\N=C\c2ccco2)C(=S)SC(C)(C)C1N(O)C(=O)Nc(cc3)ccc3Cl,0.0
45683,CO-ADD:0228557,2.77,c12c(c(c3OC1=O)ccc(OC(C)=O)c3)oc(cc(OC(C)=O)c(OC(C)=O)c4)c24,0.0
45684,CO-ADD:0228796,2.77,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/NNc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
45685,CO-ADD:0232183,2.77,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(cccn2)c2)OC(=O)c3cccc(Br)c3)c1,0.0
45686,CO-ADD:0230154,2.77,N(=C\c1ccccc1F)/NC(C)=O,0.0
45687,CO-ADD:0228208,2.77,N1(c2cccc(Cl)c2)C(N(O)C(=O)Nc3cccc(Cl)c3)C(N(CCCC)C1=O)(C)C,0.0
45688,CO-ADD:0235325,2.77,C(=O)(c1ccc(cc1)Br)Nc(c2)cc(cc2Oc3cccc(C)c3)Oc4cccc(C)c4,0.0
45689,CO-ADD:0235799,2.77,N1(Cc2ccccc2)C(O)=CC(=C(C#N)C1=O)C,0.0
45690,CO-ADD:0235303,2.77,N1C(=O)\C(\SC1=N)=C/c(ccc2c3c(Cl)ccc(c3)[N+](=O)[O-])o2,0.0
45691,CO-ADD:0235942,2.77,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2cccc(I)c2,0.0
45692,CO-ADD:0235913,2.77,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(NCCc(ccc(c3OC)OC)c3)=O,0.0
45693,CO-ADD:0235883,2.77,C(CCC(=O)c1ccc(cc1)Cl)(=O)OCC(=O)c2ccc(cc2)Br,0.0
45694,CO-ADD:0228352,2.77,N1(c2ccc(cc2Br)Br)N=C(\C(=C(/C)\NCCc3ccccn3)\C1=O)C,0.0
45695,CO-ADD:0223538,2.77,C(=O)(c(cc1)ccc1C(C)(C)C)NCC(C)c2ccccc2,0.0
45696,CO-ADD:0223658,2.77,c1(ccc(\C=N\NC(COc2cccc(Br)c2)=O)s1)[N+](=O)[O-],0.0
45697,CO-ADD:0230146,2.77,N1(CC(=O)N2CCCCC2)C(=O)c(c3C1=O)cccc3,0.0
45698,CO-ADD:0230029,2.77,C([N+](=O)[O-])(C1c(cccc2[N+](=O)[O-])c2)=C(c3ccccc3C(OC)=O)OC(N)=C1C#N,0.0
45699,CO-ADD:0232745,2.77,c1(C(OCC)=O)oc(c2c1C)ccc(\C=N/Cc3ccccc3)c2Cl,0.0
45700,CO-ADD:0230649,2.77,C1(C(OCC)=O)=C(C)N=C(SC)NC1c2ccccc2,0.0
45701,CO-ADD:0230365,2.77,c1(ccccc1O)C(=O)N\N=C\c(cc2)ccc2N(C)c3ccccc3,0.0
45702,CO-ADD:0223530,2.77,n1(CC)c2c(c(cc(cc3)NC(=O)c(ccc(c4[N+](=O)[O-])Cl)c4)c13)cccc2,0.0
45703,CO-ADD:0223756,2.77,N(=C\c(cc1)ccc1OCC)/NC(CCCCCCCC(=O)N\N=C\c(cc2)ccc2OCC)=O,0.0
45704,CO-ADD:0223158,2.77,N(\C(=C/c1ccccc1C)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
45705,CO-ADD:0235888,2.76,c1(cccc(C)c1C)Oc(ccc(c2C#N)C#N)c2,0.0
45706,CO-ADD:0235630,2.76,C(CCc1ccccc1)(NCCOc2ccccc2C)=O,0.0
45707,CO-ADD:0235929,2.76,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c5ccccc5,0.0
45708,CO-ADD:0235600,2.76,S(=O)(=O)(NC1CCCCC1)c(c(Cl)cc(c2C(=O)Nc3ccccc3[N+](=O)[O-])Cl)c2,0.0
45709,CO-ADD:0235613,2.76,n1(c2c(nc1SCC(=O)N(CC)CC)cccc2)C(OC)=O,0.0
45710,CO-ADD:0235628,2.76,[N+](=O)([O-])c1cccc(C(CSCC(=O)Nc(ccc(c23)cccc2)c3)=O)c1,0.0
45711,CO-ADD:0223019,2.76,C(=O)(N\N=C\c1c(cccc1F)Cl)C(=O)Nc2ccccc2OCC,0.0
45712,CO-ADD:0230893,2.76,C(=C/c(cc1)ccc1OCCCCCC)(/c2c3ccc(c2)[N+](=O)[O-])\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
45713,CO-ADD:0231968,2.76,c1(oc(c2n1)ccc(c2)\N=C\c3c(O)c(OC)cc(Br)c3Br)c4cc(Cl)ccc4Cl,0.0
45714,CO-ADD:0228046,2.76,C(C(=O)N\N=C\c(cc1)ccc1OC(=O)c2cccc(F)c2)(C3)=NNC3(c4ccccc4)c5ccccc5,0.0
45715,CO-ADD:0228786,2.76,[N+](=O)([O-])c1c(Br)ccc(C(N)=O)c1,0.0
45716,CO-ADD:0228821,2.76,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc3ccccc3[N+](=O)[O-],0.0
45717,CO-ADD:0230477,2.76,C(F)(F)(C(F)(F)Cl)C(F)(F)C(=O)NC(CCCCNC(=O)C(F)(F)C(F)(F)C(Cl)(F)F)C(=O)[O-].[Na+],0.0
45718,CO-ADD:0230355,2.76,N1(Cc2ccccc2)C(=O)c3c(c4C1=O)c(c(CC5)cc3)c5cc4,0.0
45719,CO-ADD:0232532,2.76,n(c(SCC(=O)Nc1c(C)cc(cc1C)C)nc(n2)SCC(=O)Nc3c(C)cc(cc3C)C)c2SCC(=O)Nc4c(C)cc(cc4C)C,0.0
45720,CO-ADD:0223113,2.76,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3c(C)cccc3C)=O)o1,0.0
45721,CO-ADD:0223535,2.76,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)O)=O,0.0
45722,CO-ADD:0230102,2.76,c1(ccccc1Br)C(=O)N\N=C\c(cc2)ccc2OCCCC,0.0
45723,CO-ADD:0222968,2.76,N1(CC(CC1=O)C(=O)Nc(cc2)ccc2I)c3cc(C)ccc3C,0.0
45724,CO-ADD:0235108,2.76,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c2ccccc2O,0.0
45725,CO-ADD:0235511,2.76,n1(c2c(n3)cccc2)c3S\C(=C/c(c(F)ccc4[N+](=O)[O-])c4)\C1=O,0.0
45726,CO-ADD:0232356,2.76,c(C#N)(c1c2ccccc2)c(\N=C\c3cc(Br)ccc3O)oc1c4ccccc4,0.0
45727,CO-ADD:0232473,2.76,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O)Br,0.0
45728,CO-ADD:0223601,2.76,C(=O)(Nc(cc1)ccc1CCCC)C(NCCCCCCCCCCCC)=O,0.0
45729,CO-ADD:0230017,2.76,c1(C#N)c(C)c(sc1\N=C\c(ccc(c2[N+](=O)[O-])N(C)C)c2)C,0.0
45730,CO-ADD:0230629,2.76,[N+](=O)([O-])c1cc2c(cc1\C=N\c3ccccc3C#N)OCO2,0.0
45731,CO-ADD:0235587,2.76,C(C(OCC)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(N)OC(CC(c3ccccc3)CC4=O)=C14,0.0
45732,CO-ADD:0223622,2.76,N(=C\c(ccc(c1OC)OCCC)c1)/c2ccc(cc2C)C,0.0
45733,CO-ADD:0223616,2.76,C(COc1ccccc1C)(=O)N\N=C\c2ccccc2Cl,0.0
45734,CO-ADD:0228079,2.76,c1(ccc(\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)o1)c4ccc(cc4Cl)Cl,0.0
45735,CO-ADD:0230157,2.76,N(=C(/C)\c1ccc(cc1)C)/NC(CCCCCCC)=O,0.0
45736,CO-ADD:0228818,2.76,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3C(O)=O)Cl)c3,0.0
45737,CO-ADD:0223207,2.76,c1(c(\C=N\NC(COc2ccccc2[N+](=O)[O-])=O)ccc(OC(C)=O)c1OC)[N+](=O)[O-],0.0
45738,CO-ADD:0228872,2.76,C(CSCc1ccccc1Br)(=O)N\N=C\c2ccccc2OCc3ccccc3,0.0
45739,CO-ADD:0230049,2.76,c1(c2c(oc1C)cccc2)\C=N\N(c3ccccc3)C(c4ccccc4)=O,0.0
45740,CO-ADD:0235470,2.76,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3ccccc3)c4nonc4N,0.0
45741,CO-ADD:0235456,2.76,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)N(c4ccccc4)c5ccccc5)n2,0.0
45742,CO-ADD:0235448,2.76,c1(C(OCC)=O)c(NC(CSC(c2ccccc2)=O)=O)sc(NC(CSC(c3ccccc3)=O)=O)c1C(OCC)=O,0.0
45743,CO-ADD:0235440,2.76,C1(CBr)=C(CBr)C(=O)CC2[C@]1(C)CCCC2(C)C,0.0
45744,CO-ADD:0235695,2.75,N1(c(cc2)ccc2c3[nH]c(c4n3)cccc4)C(=O)c(c5C1=O)ccc(c5)[N+](=O)[O-],0.0
45745,CO-ADD:0232423,2.75,n1c(c2ccccc2)csc1N\N=C\c3c(O)ccc(cccc4)c34,0.0
45746,CO-ADD:0232225,2.75,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(cc(OCO4)c4c5)c5Br,0.0
45747,CO-ADD:0232195,2.75,c1(\C=N\c(cccc2c3oc(c4n3)ccc(C)c4)c2)c(O)c(OC)cc(Br)c1Br,0.0
45748,CO-ADD:0228408,2.75,N12c(c(C3C(CCC3)C1)c4)c(C5C(CCC5)C2)cc4NC(=O)c6ccc(cc6)Br,0.0
45749,CO-ADD:0230604,2.75,C(NCCCCCCNC(=O)NCc(ccc(c12)OCO1)c2)(=O)NCc(ccc(c34)OCO3)c4,0.0
45750,CO-ADD:0235252,2.75,c12c(cccc1\N=C\c3cccc(cccc4)c34)C(=O)NNC2=O,0.0
45751,CO-ADD:0223465,2.75,C(CSCC(=O)NC(C)C)(=O)NC(C)C,0.0
45752,CO-ADD:0228202,2.75,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Nc3sc(c4c3C#N)CCC4,0.0
45753,CO-ADD:0230887,2.75,C(=C/c(cc1)ccc1Cl)(/c2c3ccc(c2)[N+](=O)[O-])\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
45754,CO-ADD:0230386,2.75,c1(c(ccc(Br)c1)nc(c2C\C=C(/C)\Cl)C)c2Cl,0.0
45755,CO-ADD:0223049,2.75,N1(CNc2cccc(Br)c2)C(=O)\C(\NC1=S)=C/c(cc3)ccc3Br,0.0
45756,CO-ADD:0235449,2.75,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c(cc3)ccc3N(C)C)c4nonc4N,0.0
45757,CO-ADD:0222970,2.75,n1c(c2ccc(cc2)Cl)csc1N,0.0
45758,CO-ADD:0232506,2.75,c(\C=N\c1cc(ccc1O)Cc(ccc(c2\N=C\c(c(C)c3Cl)c(O)c(c3C)Br)O)c2)(c(C)c4Cl)c(O)c(c4C)Br,0.0
45759,CO-ADD:0222929,2.75,c1(\C=N\NC(=O)c2ccc(cc2)OC)cc(Br)ccc1OC,0.0
45760,CO-ADD:0222925,2.75,C(=O)(Oc(cc1)ccc1OCc2ccccc2)c3ccccc3C,0.0
45761,CO-ADD:0235466,2.75,N1(CC(=O)OCC(=O)N(c2ccccc2)c3ccccc3)C(=O)CCC1=O,0.0
45762,CO-ADD:0223774,2.75,[N+](=O)([O-])\N=C(/N)\Nc(cc1)ccc1NC(CCl)=O,0.0
45763,CO-ADD:0223758,2.75,[N+](=O)([O-])c1c(F)ccc(c1)\N=C\c2ccccc2F,0.0
45764,CO-ADD:0235040,2.75,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c2ccc(cc2C)Cc(cc3)cc(c3\N=C\c(ccc(c4[N+](=O)[O-])Br)c4)C,0.0
45765,CO-ADD:0230552,2.75,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3C(CC(N4c5cccc(Cl)c5)=O)C4=O)C1=O,0.0
45766,CO-ADD:0230622,2.75,c12c(ccc(cccc3)c13)c4c(c5O2)c(ccc4)ccc5,0.0
45767,CO-ADD:0235708,2.75,N(\C(=C/c1ccco1)\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
45768,CO-ADD:0235893,2.75,C(=O)(c1ccc(cc1)Cl)Oc2c(Cl)ccc(c2)OC(=O)c3ccc(cc3)Cl,0.0
45769,CO-ADD:0223524,2.75,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/NCCC,0.0
45770,CO-ADD:0228717,2.75,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Cl,0.0
45771,CO-ADD:0235746,2.75,S(c1ccccc1)(=O)(=O)N(CC2)CCN2C(CC(N3c4ccc(cc4)OCCCCCC)=O)C3=O,0.0
45772,CO-ADD:0235345,2.75,n1c(N)[nH]nc1c2ccc(cc2)Cl,0.0
45773,CO-ADD:0232702,2.75,C1(C(OCCCC)=O)=C(C)NC(NC1c2ccccc2OCC)=S,0.0
45774,CO-ADD:0232336,2.75,c12c(CCCC1=O)c3c(ccc(F)c3)[nH]2,0.0
45775,CO-ADD:0232063,2.75,C(=O)(Oc1cccc(c1)\C=N\NC(COc2cccc(C)c2)=O)c3ccccc3Br,0.0
45776,CO-ADD:0235024,2.75,[N+](=O)([O-])c(cccc1C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(=O)\C=C\c4ccccc4)c1,0.0
45777,CO-ADD:0248371,2.75,ClC1=C2C(NC(C3=CSC=N3)=N2)=CC=C1,0.0
45778,CO-ADD:0223527,2.75,C(=C\Nc1c(C)cc(cc1[N+](=O)[O-])C)(/C(=O)NC(N2)=O)\C2=O,0.0
45779,CO-ADD:0223628,2.75,C(COc(cc1)ccc1C)(=O)N\N=C\c2ccccc2Br,0.0
45780,CO-ADD:0228687,2.75,C1(=S)NC(C)(C)C=C(C)N1c2cccc(OC(C)=O)c2,0.0
45781,CO-ADD:0228680,2.75,S(=O)(=O)(N(CC)CC)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c2ccccc2F,0.0
45782,CO-ADD:0230522,2.75,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(=O)N(CC)CC,0.0
45783,CO-ADD:0230528,2.75,C(=O)(c1ccc(cc1)COc(cc2)ccc2C)Nc3cccc(cccc4)c34,0.0
45784,CO-ADD:0228712,2.75,N1(c2ccccc2)C(=O)CC(N(CC3)CCN3CCO)C1=O,0.0
45785,CO-ADD:0230487,2.75,S(c1ccccc1)(=O)(=O)N(c2ccc(c(C)c2)C)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4C,0.0
45786,CO-ADD:0223656,2.75,s1c(\C=N\NC(=O)c2ccc(cc2)OCC)ccc1Br,0.0
45787,CO-ADD:0230276,2.75,c(cc(C(C(Cl)(Cl)Cl)c(c1)cc(c(OCC)c1[N+](=O)[O-])[N+](=O)[O-])cc2[N+](=O)[O-])(c2OCC)[N+](=O)[O-],0.0
45788,CO-ADD:0223488,2.75,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc3cccc(c3)N\C=C(\C(C)=NN4c5ccc(c(C)c5)C)/C4=O,0.0
45789,CO-ADD:0223547,2.75,N1(c2ccccc2C)CC(CC1=O)C(=O)Nc(ccc(c34)cccc3)c4,0.0
45790,CO-ADD:0232729,2.75,C(c1ccc(cc1)Oc(cc2)ccc2NC(C)=O)(c3ccc(cc3)Oc(cc4)ccc4NC(C)=O)(C(F)(F)F)C(F)(F)F,0.0
45791,CO-ADD:0231870,2.75,c1(OCC(=O)N\N=C(/C)\c2cccc(Br)c2)c(OC)cc(cc1Br)Br,0.0
45792,CO-ADD:0232778,2.75,n1(c(C)c(nn1)\C(\C)=N\N=C(/C)\c2ccc(cc2)O)c3nonc3N,0.0
45793,CO-ADD:0235954,2.75,N(/NC(c1ccccc1)=O)=C(/C(C)C)\CC(=O)C(C)(C)C,0.0
45794,CO-ADD:0231876,2.75,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2ccccc2O,0.0
45795,CO-ADD:0232144,2.75,N1(Cc(cc2)ccc2[N+](=O)[O-])C(=O)CSC1=O,0.0
45796,CO-ADD:0248384,2.75,ClC1=C2C(N(CC3=CC=C(C4=CC=CC=C4C#N)C=C3)C(C5=CSC=N5)=N2)=CC=C1,0.0
45797,CO-ADD:0235497,2.75,[N+](=O)([O-])c1cc(OC)c(cc1\C=N\c2cccc(c23)C(=O)NNC3=O)OC,0.0
45798,CO-ADD:0223124,2.75,N(=C(/C)\c(cc1)ccc1N(C)C)/NC(COc(cc2)ccc2Cl)=O,0.0
45799,CO-ADD:0228442,2.74,C12(CC(CC13)C(C34)CCC4)NN=C(c5ccccc5O)S2,0.0
45800,CO-ADD:0223059,2.74,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CCC(=O)Nc2cccc(Cl)c2C)=O,0.0
45801,CO-ADD:0223789,2.74,[N+](=O)([O-])c1cccc(c1)NC(CCCCCNC(=O)C(F)(F)F)=O,0.0
45803,CO-ADD:0228926,2.74,n1c(c2ccccc2)c3c(nc1c(cc4)ccc4c5nc(ccc(c6)NC(C)=O)c6c(c7ccccc7)n5)ccc(c3)NC(C)=O,0.0
45804,CO-ADD:0230287,2.74,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2Br)N3CCCCC3,0.0
45805,CO-ADD:0231965,2.74,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Br)cc3Br)c3O)c4cc(Cl)ccc4Cl,0.0
45806,CO-ADD:0223804,2.74,N(=C\c(cc1)ccc1Br)/NC(Cc2ccccc2)=O,0.0
45807,CO-ADD:0223132,2.74,C(COc(cc1)ccc1Cl)(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
45808,CO-ADD:0231983,2.74,N(CC1)(CCO1)c2ccc(cc2)\C=N\c(cc3)ccc3C(OCC)=O,0.0
45809,CO-ADD:0235917,2.74,S(=O)(=O)(N(CC)CC)c1c(Cl)ccc(c1)C(=O)Nc(cccc2C(O)=O)c2,0.0
45810,CO-ADD:0235786,2.74,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(c3c([nH]4)cccc3)c4,0.0
45811,CO-ADD:0235527,2.74,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)Oc3ccc(cc3n4nc(c5n4)cccc5)C,0.0
45812,CO-ADD:0235591,2.74,n1c2c(cccc2)ccc1SCC(=O)N\N=C/c(cc3)ccc3OC,0.0
45813,CO-ADD:0232789,2.74,n1(c(C)c(nn1)\C(\C)=N\N=C\c2cccc(CC=C)c2O)c3nonc3N,0.0
45814,CO-ADD:0248705,2.74,O=Cl(=O)([O-])=O.O=Cl(=O)([O-])=O.N1(CC2=CN(C3=CC=CC4=C3C=CC=C4)N=N2)CCCNCCN(CC5=CN(C6=C(C=CC=C7)C7=CC=C6)N=N5)CCCNCC1.[Zn],0.0
45815,CO-ADD:0248379,2.74,ClC1=CC=C(N(CC2=CC=C(C3=CC=CC=C3C#N)C=C2)C(C4=CSC=N4)=N5)C5=C1,0.0
45816,CO-ADD:0228601,2.74,C12(CCC1)CC2C(=O)N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-],0.0
45817,CO-ADD:0223625,2.74,C(COc(cc1)ccc1OC)(=O)N\N=C\c(cc2)ccc2I,0.0
45818,CO-ADD:0228868,2.74,C1(C(=O)Nc2cccc(cccc3)c23)C4C1CC\C=C\CC\C=C/CC4,0.0
45819,CO-ADD:0223578,2.74,N(CC1=O)C(CN1)=O,0.0
45820,CO-ADD:0228441,2.74,c(\C=C\C(=O)C(C)(C)C)(c1C)c(C)n(n1)C,0.0
45821,CO-ADD:0228437,2.74,C(NC(C)=O)(C(OCC)=O)(C(OCC)=O)C(C)c1c2c([nH]c1)cccc2,0.0
45822,CO-ADD:0223492,2.74,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3c4ccc(cc4)N\C=C(/C(C)=NN5c6ccc(cc6)Cl)\C5=O,0.0
45823,CO-ADD:0230644,2.74,c(cc(cccc1)c1n2)(c23)\C(=N/c4ccccc4)\c5c3cccc5,0.0
45824,CO-ADD:0230840,2.74,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCN3C(CC(N4c5ccc(cc5)OCC)=O)C4=O)C1=O,0.0
45825,CO-ADD:0223143,2.74,c1(\C=N\NC(COc(cc2)ccc2Cl)=O)cc(Cl)ccc1O,0.0
45826,CO-ADD:0228737,2.74,C(=C/c1ccccc1)(/c(cccn2)c23)\c(cc(C)cc4)c34,0.0
45827,CO-ADD:0230000,2.74,c1(nonc1N)\C(\N(CC)CC)=N\OCc2ccc(cc2Cl)Cl,0.0
45828,CO-ADD:0235918,2.74,S(=O)(=O)(N(CC)CC)c1c(Cl)ccc(c1)C(=O)Nc(cc2)ccc2C,0.0
45829,CO-ADD:0230797,2.74,C(=O)(c1ccc(cc1)O)Nc(cc2)ccc2OCC,0.0
45830,CO-ADD:0231946,2.74,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\C=C\c3ccccc3,0.0
45831,CO-ADD:0230733,2.74,N#CCC(=O)N\N=C\c(ccc(c1OCC)OCC=C)c1,0.0
45832,CO-ADD:0223413,2.74,n1c(c2ccccc2)csc1N\N=C\c(cc3)ccc3C(OC)=O,0.0
45833,CO-ADD:0235899,2.74,c1(c2c(C3=O)cccc2)c3ccc(c1)C(=O)OCC(=O)c4ccc(cc4)Br,0.0
45834,CO-ADD:0235413,2.74,c([N+](=O)[O-])(n1)ncn1[C@@H]2[C@@H](c3ccccc3)CC(=CC2=O)c4cccs4,0.0
45835,CO-ADD:0235133,2.74,C(=N\Nc(cc1)ccc1Br)(/C2=O)\C(=O)NC(=O)N2,0.0
45836,CO-ADD:0235140,2.74,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(ccc(c34)oc(c5cccc(OC)c5)n3)c4)[N+](=O)[O-],0.0
45837,CO-ADD:0223359,2.74,c1(SCC(=O)N\N=C\c2cccc(OC)c2)oc(c3n1)cccc3,0.0
45838,CO-ADD:0228456,2.73,N1(\N=C\c(cc2)ccc2[N+](=O)[O-])C(=O)C3C(C4C=CC3CC4)C1=O,0.0
45839,CO-ADD:0230371,2.73,C(COc1ccccc1C)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
45840,CO-ADD:0230353,2.73,C(C(c1ccccc1)=O)C(c2ccc(cc2)Cl)Nc(ccc(c3C)C)c3,0.0
45841,CO-ADD:0228551,2.73,c1(C(OCC)=O)sc2c(c(COC)cc(C)n2)c1NC(c3ccccc3)=O,0.0
45842,CO-ADD:0232206,2.73,c1(\C=N\c(ccc(c23)oc(c4ccc(c(C)c4)C)n2)c3)c(O)c(OC)cc(Br)c1Br,0.0
45843,CO-ADD:0228803,2.73,C(=C\c1ccc(cc1Cl)Cl)(/C(C)=NN2c3ccc(c(C)c3)C)\C2=O,0.0
45844,CO-ADD:0230234,2.73,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c(cc(Br)cc3Br)c3O)c2,0.0
45845,CO-ADD:0230425,2.73,N1(c2ccccc2)C(CC(c3ccc(cc3)Br)=N1)c4ccc(c(OC)c4C(O)=O)OC,0.0
45846,CO-ADD:0228964,2.73,c1(ccccc1NC(c2ccccc2)=O)C(O)=O,0.0
45847,CO-ADD:0223729,2.73,c1(\C=N\NC(=O)C(CC)Oc2ccc(c3c2Br)cccc3)c(cccc1Cl)Cl,0.0
45848,CO-ADD:0228062,2.73,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(C)c(c4Br)C)c4O)cc(C)c(C)c2,0.0
45849,CO-ADD:0232029,2.73,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c4c(O)c(OC)cc(Br)c4Br,0.0
45850,CO-ADD:0232480,2.73,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4O,0.0
45851,CO-ADD:0222959,2.73,N(CC(CBr)Br)(c1c2cc(Br)cc1)c3c(C2=O)cc(Br)cc3,0.0
45852,CO-ADD:0230791,2.73,S(NCCC(=O)N\N=C\c1cc(OC)ccc1OC)(=O)(=O)c(cc2)ccc2[N+](=O)[O-],0.0
45853,CO-ADD:0230737,2.73,[N+](=O)([O-])c1cccc(c1)NC(=O)c2ccc(cc2)OC(=S)Nc(ccc(c3C)C)c3,0.0
45854,CO-ADD:0231948,2.73,c1(c(Br)cc(cc1\C=N\NC(=O)c(ccc(n2)C)c2)Br)OC(=O)c3cccc(F)c3,0.0
45855,CO-ADD:0223323,2.73,C(=O)(c1ccc(cc1)F)Oc2ccc(cc2C3CCCCC3)OC(=O)c4ccc(cc4)F,0.0
45856,CO-ADD:0235744,2.73,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCc(cccn3)c3,0.0
45857,CO-ADD:0232397,2.73,C1(C2c3ccc(cc3)OCCCCC)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
45858,CO-ADD:0222942,2.73,C(=O)(Oc(cc1)ccc1C(C)=O)c2cccc(Br)c2,0.0
45859,CO-ADD:0222895,2.73,C(COc1ccccc1Br)(=O)Nc(cc2)ccc2I,0.0
45860,CO-ADD:0232555,2.73,c1(\C(\CCC2)=N/CC=C)c2[nH]c(ccc(C3CCCCC3)c4)c14,0.0
45861,CO-ADD:0232640,2.73,S(=O)(=O)(N1CCCCC1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c(c3)c(N(C)C)ccc3[N+](=O)[O-],0.0
45862,CO-ADD:0228579,2.73,N1(c2cccc(OC)c2)C(=O)CC(N(CC3)CCN3C(CC(N4c5cccc(OC)c5)=O)C4=O)C1=O,0.0
45863,CO-ADD:0223091,2.73,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)Nc3ccccc3CC,0.0
45864,CO-ADD:0228466,2.73,C1(c2ccccc2Oc3ccccc3C4=Nc(c5C(=O)O4)cccc5)=Nc(c6C(=O)O1)cccc6,0.0
45865,CO-ADD:0228567,2.73,N1(c2ccc(cc2)C)C(C)(O)C(OC1=O)(C)C,0.0
45866,CO-ADD:0228867,2.73,[N+](=O)([O-])c1ccccc1NC(=O)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
45867,CO-ADD:0223115,2.73,c(\C=N\NC(COc(cc1)ccc1Cl)=O)(cc(OCO2)c2c3)c3Cl,0.0
45868,CO-ADD:0228298,2.73,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3c4ccccc4OC)C1=O,0.0
45869,CO-ADD:0230440,2.73,c1(c(O)c2O)c(cc2[N+](=O)[O-])C(c(cccc3)c3C1=O)=O,0.0
45870,CO-ADD:0230019,2.73,C(CCCNc1cccc(C)c1)(OCC)=O,0.0
45871,CO-ADD:0230009,2.73,N1(Cc2ccccc2)C(=O)CSC1c(cc3)ccc3C(=O)N\N=C\c4ccc(cc4Cl)Cl,0.0
45872,CO-ADD:0232174,2.73,c1(oc(c2n1)ccc(c2)\N=C\c3c(O)c(OC)cc(Br)c3Br)c4ccc(cc4Cl)F,0.0
45873,CO-ADD:0230126,2.73,N1(CN(c(cc2)ccc2C(C)=O)C(C)=O)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
45874,CO-ADD:0230714,2.73,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O,0.0
45875,CO-ADD:0232157,2.73,[N+](=O)([O-])c1cccc(\C=N\N\C(\c2ccccn2)=N\c3ccccc3)c1O,0.0
45876,CO-ADD:0232584,2.73,N(c1ccc(cn1)Br)C(=O)\C=C\c2ccccc2,0.0
45877,CO-ADD:0230775,2.73,C(OCc(cc1)ccc1OC)(=O)N\N=C\c2cc(OC)ccc2OC,0.0
45878,CO-ADD:0231909,2.73,c1(OCC(=O)N\N=C(/C)\c2ccc(cc2)O)c(OC)cc(cc1Br)Br,0.0
45879,CO-ADD:0235257,2.72,c1(ccc(\C=N\NC(=O)c2ccc(cc2)Br)s1)[N+](=O)[O-],0.0
45880,CO-ADD:0232694,2.72,C1(C(OCCCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCCC,0.0
45881,CO-ADD:0235732,2.72,n1(c2cc(C)ccc2OC(CCCCCCCCC)=O)nc3c(cccc3)n1,0.0
45882,CO-ADD:0235718,2.72,c1(ccc(c2c1O)cccc2)\C(\C)=N\NC(CCc3ccccc3)=O,0.0
45883,CO-ADD:0232352,2.72,C1(=Cc(cccc2CC=C)c2OC1=O)C(=O)Nc3ccccc3Cl,0.0
45884,CO-ADD:0231882,2.72,c1(OCC(=O)N\N=C\c(ccc(c2O)O)c2)c(OC)cc(cc1Br)Br,0.0
45885,CO-ADD:0223015,2.72,c1(SCC(=O)Nc(ccc(c23)cccc2)c3)ccc(\C=N\NC(=O)c4ccc(cc4)F)o1,0.0
45886,CO-ADD:0223050,2.72,N1(c2ccccc2C)CC(CC1=O)C(=O)Nc(cc3)ccc3Br,0.0
45887,CO-ADD:0223224,2.72,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(ccc(c2C)C)c2)=O)c3ccco3,0.0
45888,CO-ADD:0230061,2.72,N(=C\c1ccccc1)/N=C/c2ccccc2,0.0
45889,CO-ADD:0228837,2.72,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1C(OCC)=O)C(NCCO)=O,0.0
45890,CO-ADD:0228757,2.72,c1([nH]c(c2n1)cccc2)c3cscn3,0.0
45891,CO-ADD:0232268,2.72,c1(c(O)cc(c(Cl)c1C)C)\C=N\c2cc(C)ccc2C,0.0
45892,CO-ADD:0230550,2.72,c1(\C=N\Nc(cc2)ccc2C)c3c(cccc3)cc(cccc4)c14,0.0
45893,CO-ADD:0228281,2.72,c1(ccccc1O)\C=N\N=C\c2ccccc2O,0.0
45894,CO-ADD:0228166,2.72,c1(NCC(=O)N\N=C(/CCCC2)\C2C)c(Br)cc(cc1Br)Br,0.0
45895,CO-ADD:0232245,2.72,c1(c(O)c(\C=N\c(ccc(c23)oc(c4ccc(c(C)c4)C)n2)c3)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
45896,CO-ADD:0230810,2.72,c1(OCCNC(OC)=O)cc(C)ccc1C(C)C,0.0
45897,CO-ADD:0228133,2.72,c1(NCC(=O)N\N=C(/CCCC)\CCCC)c(Br)cc(cc1Br)Br,0.0
45898,CO-ADD:0223006,2.72,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c3cc(C)ccc3C,0.0
45899,CO-ADD:0235771,2.72,c1(cc(c(cc1[N+](=O)[O-])n2)nc(c2Nc(cc3)ccc3NC(C)=O)Nc(cc4)ccc4C)[N+](=O)[O-],0.0
45900,CO-ADD:0231928,2.72,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3ccccc3O,0.0
45901,CO-ADD:0223242,2.72,c(\C=N\NC(COc(cc1)ccc1Cl)=O)(cc(Br)cc2I)c2O,0.0
45902,CO-ADD:0232688,2.72,C1(C(=O)OCC(C)C)=C(C)NC(=O)NC1c2ccc(cc2)OCCC,0.0
45903,CO-ADD:0232153,2.72,c(c(cccc1)c1n2C)(\C=C(/C)\[N+](=O)[O-])c2,0.0
45904,CO-ADD:0235031,2.72,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(ccc(c23)cccc2)c3,0.0
45905,CO-ADD:0235253,2.72,C(=N/c1cccc(CO)c1)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
45906,CO-ADD:0235570,2.72,N1(CC(=O)Nc2cccc(cccc3)c23)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
45907,CO-ADD:0223047,2.72,C(NCCc(ccc(c1OC)OC)c1)(=O)C(NCCC)=O,0.0
45908,CO-ADD:0223016,2.72,S(c1ccccc1)(=O)(=O)N(c2ccccc2)CC(OC)=O,0.0
45910,CO-ADD:0223052,2.72,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)N(CC2)CCN2Cc3ccccc3,0.0
45911,CO-ADD:0228584,2.72,C1(CCCC2)C2C1C(=O)N\N=C\c(cc3)ccc3C#N,0.0
45912,CO-ADD:0228554,2.72,c1(nnc(CCC)s1)NC(=O)c(cc2)cc(c2[N+](=O)[O-])Cl,0.0
45913,CO-ADD:0228532,2.72,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)OC(CSc4nc(c5ccccc5)cc(c6ccccc6)c4C#N)=C2C(OCC)=O,0.0
45914,CO-ADD:0235661,2.72,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c(cc(s2)CC)c2)[N+](=O)[O-],0.0
45915,CO-ADD:0230569,2.72,[N+](=O)([O-])c(cccc1C(=O)Nc2cccc(F)c2)c1,0.0
45916,CO-ADD:0228476,2.72,N1(c2ccc(c(Cl)c2)Cl)C(N(O)C(=O)Nc(ccc(c3Cl)Cl)c3)C(N(CCC4=CCCCC4)C1=O)(C)C,0.0
45917,CO-ADD:0230104,2.72,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\c2ccccc2Cl,0.0
45918,CO-ADD:0228184,2.71,S1(=O)(=O)c2c(C(Nc3cccc(cccc4)c34)=N1)ccc(c2)[N+](=O)[O-],0.0
45919,CO-ADD:0228417,2.71,N12c(c(C3C(CCC3)C1)c4)c(C5C(CCC5)C2)cc4NC(=O)c6ccc(cc6)C,0.0
45920,CO-ADD:0230079,2.71,[N+](C)(CC1)(CCO1)CC2COC(CO2)C[N+](C)(CC3)CCO3.[I-].[I-],0.0
45921,CO-ADD:0228092,2.71,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(ccc(c3I)OC)c3,0.0
45922,CO-ADD:0235745,2.71,N1(CCc2ccccc2)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
45923,CO-ADD:0235707,2.71,N1(c2ccc(cc2)Br)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
45924,CO-ADD:0222905,2.71,N(=C\c1cccc(Br)c1)/c2ccnc(cccc3)c23,0.0
45925,CO-ADD:0223416,2.71,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)C(=O)NCc3ccco3,0.0
45926,CO-ADD:0235285,2.71,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(cccc2[N+](=O)[O-])c2)N3CCCCC3)c1,0.0
45927,CO-ADD:0235469,2.71,c1(SCc(cnc2c3ccccc3)o2)sc(c4n1)cccc4,0.0
45928,CO-ADD:0235576,2.71,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)Nc3sccn3,0.0
45929,CO-ADD:0235513,2.71,n1(CC(=O)N\N=C\c(ccc2c3cccc(Cl)c3Cl)o2)nnnc1N,0.0
45930,CO-ADD:0235424,2.71,C(C(OC)=O)(C1c2cccc(F)c2)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
45931,CO-ADD:0232646,2.71,c12c(ccc(CNC(=O)\C=C\c3ccccc3)c1)OCO2,0.0
45932,CO-ADD:0235797,2.71,C(=O)(N\N=C\c1ccccc1O)C(=O)Nc2ccc(cc2C)Cl,0.0
45933,CO-ADD:0228922,2.71,c1(ccc(cc1Cl)Cl)C(=O)Oc2ccc(c3c2\C=N\NC(=O)C(O)(c4ccccc4)c5ccccc5)cccc3,0.0
45934,CO-ADD:0230486,2.71,C(=O)(\C=C\c1ccccc1)Oc2ccccc2\C=N\Nc3cccc(C)c3,0.0
45935,CO-ADD:0223784,2.71,[N+](=O)([O-])c1cccc(c1)NC(=O)\C=C\c(ccc(c2OC)OC)c2,0.0
45936,CO-ADD:0223749,2.71,C(NCCCCNC(=O)CCOc1ccccc1C)(=O)CCOc2ccccc2C,0.0
45937,CO-ADD:0230525,2.71,C(=O)(NC(C)C)C(NCCCO)=O,0.0
45938,CO-ADD:0230120,2.71,C(/C#N)(\[P+](c1ccccc1)(c2ccccc2)c3ccccc3)=C(\[S-])/NC(=O)c4ccc(cc4)C,0.0
45939,CO-ADD:0230224,2.71,C(=O)(Nc1ccccc1C(=O)N\N=C\c(cc2)ccc2OCCCCC)c3ccccc3F,0.0
45940,CO-ADD:0230099,2.71,c1(cc(Cl)cc(Cl)c1OCC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)[N+](=O)[O-],0.0
45941,CO-ADD:0229974,2.71,C1(Br)=C(Br)C(OC1NC(=O)NC2OC(C(Br)=C2Br)=O)=O,0.0
45942,CO-ADD:0223138,2.71,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc(I)cc3I)c3O,0.0
45943,CO-ADD:0235370,2.71,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CCCC4=O)=C14)c(cc5)ccc5[N+](=O)[O-],0.0
45944,CO-ADD:0223768,2.71,[N+](=O)([O-])c1ccccc1N\N=C(\C)/c2ccccc2,0.0
45945,CO-ADD:0222969,2.71,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(ccc2SCC(=O)Nc3ccccc3)o2,0.0
45946,CO-ADD:0235183,2.71,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2Cl)=O)c3ccccc3Br,0.0
45947,CO-ADD:0235384,2.71,C(=O)(OC(C)(C)C)N1CCCC1C(NCCCl)=O,0.0
45948,CO-ADD:0235720,2.71,C(COc1ccccc1)(=O)N\N=C/c2ccc(cc2O)O,0.0
45949,CO-ADD:0232475,2.71,n1c2c(oc1c3cccc(c3)\N=C\c(cccc4[N+](=O)[O-])c4)cccc2C,0.0
45950,CO-ADD:0222924,2.71,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2ccc(cc2)OC)OC)c1,0.0
45951,CO-ADD:0235327,2.71,C1(Nc(cc2)ccc2Cl)C(C)C(CC)Nc(ccc(Cl)c3)c13,0.0
45952,CO-ADD:0222898,2.71,c1(cc(Br)ccc1OC)\C=N\c2ccccn2,0.0
45953,CO-ADD:0232304,2.71,c1(ncnc2NCC=C)c2c3c(CCCC3)s1,0.0
45954,CO-ADD:0232066,2.7,c1(c(O)c(\C=N\NC(CNC(=O)c2ccccc2Br)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
45955,CO-ADD:0232046,2.7,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c2cc(Br)ccc2OC(=O)c3ccccc3Cl,0.0
45956,CO-ADD:0230309,2.7,C(C(OCC)=O)(=C(C)NC(=C1C(OCC)=O)C)C1c2ccc(cc2)OC,0.0
45957,CO-ADD:0228351,2.7,N(/NC(C1CCCCC1)=O)=C(/C)\c2cccs2,0.0
45958,CO-ADD:0223235,2.7,c1(ccc(C(=O)Oc2cccc(c2)\C=N/NC(COc3c(Br)cc(cc3Br)Br)=O)o1)[N+](=O)[O-],0.0
45959,CO-ADD:0223584,2.7,[C@@]12([C@@H](O1)C3)[C@](C)(CC(O)CC2)C(C34)CC[C@@]5(C)C4C(C)CC5C(C)=O,0.0
45960,CO-ADD:0228640,2.7,n1(nnc(C)c1C(=O)N\N=C\c(cc2)ccc2OCCCC)c3nonc3N,0.0
45961,CO-ADD:0228594,2.7,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3c4cccc(Cl)c4)C1=O,0.0
45962,CO-ADD:0223153,2.7,c(\C=N\NC(COc(cc1)ccc1C(C)(C)CC(C)(C)C)=O)(cc(Br)cc2I)c2O,0.0
45963,CO-ADD:0230121,2.7,[n+]12c(nc(C)cc1C)sc(CCCC3)c23,0.0
45964,CO-ADD:0223171,2.7,C(=N\NC(=O)Cc1oc(c2n1)cccc2)(/c3c(N4)cccc3)\C4=O,0.0
45965,CO-ADD:0223731,2.7,c1(csc(\C=N\NC(COc2c(C)ccc(C(C)C)c2)=O)c1)[N+](=O)[O-],0.0
45966,CO-ADD:0228754,2.7,c1(cccs1)C(CCNc(cc2)ccc2F)=O,0.0
45967,CO-ADD:0228375,2.7,n1c(cccc2)n2cc1c(cccc3NC(=O)c4ccccc4Br)c3,0.0
45968,CO-ADD:0222860,2.7,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N\N=C\c2c(O)ccc(cccc3)c23,0.0
45969,CO-ADD:0235273,2.7,C(=O)(c(cccn1)c1)Nc2cc(Cl)cc(Cl)c2,0.0
45971,CO-ADD:0235560,2.7,n1cn[nH]c1SCC(=O)Nc2ccc(cn2)Br,0.0
45972,CO-ADD:0232297,2.7,C(=O)(C(c1ccccc1)c2ccccc2)Nc3sccn3,0.0
45973,CO-ADD:0232786,2.7,n1c(c2ccc(cc2)Cl)csc1Nc(ccc(c3Cl)C)c3.Br,0.0
45974,CO-ADD:0223266,2.7,N1(c2ccccc2OC)C(=O)c3c(cc(cc3)N)C1=O,0.0
45975,CO-ADD:0223011,2.7,C(=O)(N\N=C\c1cc(OC)ccc1OC)C(=O)Nc2ccccc2F,0.0
45976,CO-ADD:0235792,2.7,C(=O)(N\N=C\c(ccc(c1O)O)c1)C(O)c2ccccc2,0.0
45977,CO-ADD:0223013,2.7,N1(CNc2ccccc2OC)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OC)OC,0.0
45978,CO-ADD:0235023,2.7,C(=C\c1ccccc1)/C(=O)c2ccc(cc2)\N=C\c(cc3)ccc3OC(C)=O,0.0
45979,CO-ADD:0257172,2.7,n1c(N2CCCCC2)nc(nc1N(CC3)CCN3c4ccccc4)OCC(F)(F)F,0.0
45980,CO-ADD:0249895,2.7,c1(nnc(Cc(cc2)ccc2OC)s1)NC(=O)c(cc3)ccc3C(C)(C)C,0.0
45981,CO-ADD:0255398,2.7,N1(C2c3ccccc3)C(S\C(=C\c(cc4OC)cc(c4OCC=C)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
45982,CO-ADD:0255618,2.7,c1(cccc(\C=N\N=C(/N)\SCCCCC)c1O)C(O)=O.O,0.0
45983,CO-ADD:0250627,2.7,N1(CC)C(=O)\C(\SC1=S)=C/c(cc2)ccn2,0.0
45984,CO-ADD:0250300,2.7,c1(cc(OC)cc(cccn2)c12)NC(c3ccccc3)=O,0.0
45985,CO-ADD:0252200,2.7,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
45986,CO-ADD:0252441,2.7,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(=O)N\N=C\c3ccco3,0.0
45987,CO-ADD:0248203,2.7,C1(C(OCC)=O)=NN(CC1C(OCCCC)=O)c2ccccc2,0.0
45988,CO-ADD:0254926,2.7,n1(nnc(C(=O)N\N=C\c(cc2OC)cc(c2OC)OC)c1CN3CCCCCC3)c4nonc4N,0.0
45989,CO-ADD:0253138,2.69,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c(cc(Br)cc2Br)c2OC)F,0.0
45990,CO-ADD:0247336,2.69,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(Cl)c1C)C(=O)NC(C)(C)C,0.0
45991,CO-ADD:0247986,2.69,[N+]1(CC(C)C)=C(C)C=C(N[B-]1(c2ccccc2)c3ccccc3)C(F)(F)F,0.0
45992,CO-ADD:0247705,2.69,C(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\NC(CCc3ccccc3O)=O,0.0
45993,CO-ADD:0247727,2.69,S(=O)(=O)(CC(c1ccccc1)CS2(=O)=O)C2C(=O)Nc3ccccc3,0.0
45994,CO-ADD:0252768,2.69,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cccc4[N+](=O)[O-])c4,0.0
45995,CO-ADD:0254574,2.69,n1c(c2ccc(cc2)C)c(cn1c3ccccc3)\C=N\NC(COc4ccccc4OC)=O,0.0
45996,CO-ADD:0248006,2.69,n1(nnc(C(=O)N\N=C\c(cc2)ccc2N(C)C)c1CN(CC3)CCO3)c4nonc4N,0.0
45997,CO-ADD:0248023,2.69,c1(SCC(=O)N\N=C\c2ccccc2OCc3ccccc3Cl)sc(c4n1)cccc4,0.0
45998,CO-ADD:0137562,2.69,O=C(NCCC(N)=N)C1=CC(NC(C2=CC(NC(C3=CC=CC=C3)=N)=CN2C)=O)=CN1C.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
45999,CO-ADD:0133867,2.69,NC(=O)c1n(CCOC(=O)C)cc([N+](=O)[O-])n1,0.0
46000,CO-ADD:0250324,2.69,c1(NC(=O)c(cccc2[N+](=O)[O-])c2)n(c3ccccc3)ncc1C(OCC)=O,0.0
46001,CO-ADD:0250573,2.69,c1(SCC(=O)N\N=C\c2ccc(C)o2)sc(c3n1)cccc3,0.0
46002,CO-ADD:0250738,2.69,S(=O)(=O)(N1CCCCCC1)c(ccc(c2C(=O)Oc(cc3)ccc3OC(=O)c(c(Cl)ccc4S(=O)(=O)N5CCCCCC5)c4)Cl)c2,0.0
46003,CO-ADD:0255578,2.69,c1(cc(cc([nH]n2)c1c2)[N+](=O)[O-])[N+](=O)[O-],0.0
46004,CO-ADD:0255675,2.69,N1(c(cc2)ccc2c(cc3)ccc3N4C(=O)CCC4=O)C(=O)CCC1=O,0.0
46005,CO-ADD:0253752,2.69,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(=O)NC1c3ccccc3,0.0
46006,CO-ADD:0256657,2.69,C1(C(=O)OCC(F)(F)F)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
46007,CO-ADD:0253291,2.69,C1(C#N)(C#N)C(c(ccs2)c2)C(C3)C(C(C#N)=C1N)=CCN3C(=O)C(C)(C)C,0.0
46008,CO-ADD:0255294,2.69,C(/C1)(=C/c(cc2)ccc2Cl)\C(=O)\C(\C1)=C\c(cc3)ccc3Cl,0.0
46009,CO-ADD:0252402,2.69,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(c(O)ccc3[N+](=O)[O-])c3.Cl,0.0
46010,CO-ADD:0247400,2.69,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c3cccc(Cl)c3Cl,0.0
46011,CO-ADD:0248114,2.69,[C@]1(C#N)(C#N)[C@]([H])(c(cccn2)c2)[C@@](N3[C@]1([H])c4c(cccc4)C=C3)([H])C(c5ccccc5)=O,0.0
46012,CO-ADD:0252884,2.69,N1(c2ccc(cc2)F)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
46013,CO-ADD:0247379,2.69,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c3ccccc3O,0.0
46014,CO-ADD:0254391,2.69,c1(cc(n[nH]1)C)C(=O)N\N=C\c(cc2)ccc2Cl,0.0
46015,CO-ADD:0252626,2.69,C(C#N)(=C1C2CC2)\C(=C(\C#N)/C#N)\NC(c3ccccc3OC)=C1,0.0
46016,CO-ADD:0252256,2.69,n1(c(C)c(nn1)\C(\C)=N/N=C\c(cc2)ccc2N(CCC)CCC)c3nonc3N,0.0
46017,CO-ADD:0254977,2.69,c1(N2CCCCC2)nc(N\N=C\C(CO)O)nc(Nc3ccccc3)n1,0.0
46018,CO-ADD:0249130,2.69,N(c1cccc(C)c1C)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
46019,CO-ADD:0249738,2.69,C(C(OCC)=O)(C1c2ccc(c(O)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
46020,CO-ADD:0249405,2.69,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3C)CCC2,0.0
46021,CO-ADD:0249446,2.69,c1([nH]c(c23)ccc(C)c2)c3nnc(N\N=C\c4ccccc4C(F)(F)F)n1,0.0
46022,CO-ADD:0249784,2.69,C(=O)(NC1CC1)C(NCCCC)=O,0.0
46023,CO-ADD:0254035,2.69,c(C#N)(c(\C(\C#N)=C\c(cc(OCO1)c1c2)c2Cl)nn3c4ccccc4)c3N,0.0
46024,CO-ADD:0255401,2.69,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c4cc(Br)ccc4OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
46025,CO-ADD:0250020,2.69,C(C#N)(C1c2cc(c(C)s2)Br)=C(N)SC(N)=C1C#N,0.0
46026,CO-ADD:0253867,2.69,c(CC(NC(OCc1ccccc1)=O)C(=O)NCC(OC)=O)(c2c([nH]3)cccc2)c3,0.0
46027,CO-ADD:0250126,2.69,C(=O)(N\N=C\c1ccccc1OCc2ccccc2)C(=O)NCc3ccccn3,0.0
46028,CO-ADD:0253807,2.69,S(C)(=O)(=O)N(c1ccc(cc1)C)CC(=O)N\N=C(/C)\c2ccc(cc2)OCC,0.0
46029,CO-ADD:0253710,2.69,C(=C\c(cc1)ccc1OCc(cc2)ccc2C)(/C3=O)\C(c4ccccc4)=NO3,0.0
46030,CO-ADD:0256765,2.69,[N+](=O)([O-])\N=C(/N)\N\N=C\c(ccc1c(cc2)ccc2[N+](=O)[O-])o1,0.0
46031,CO-ADD:0253218,2.69,c1(scc(c2ccccc2)n1)NC(COc(ccc(c34)C=CC(=O)O3)c4)=O,0.0
46032,CO-ADD:0253499,2.69,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccccc3)c4sc(c5c4C#N)CCCC5,0.0
46033,CO-ADD:0255457,2.69,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cc3)ccc3[N+](=O)[O-])c4sc(c5c4C#N)CCCC5,0.0
46034,CO-ADD:0256113,2.69,c1(N(CC2)CCO2)nc(N\N=C/c(ccc(c3OC)OCC)c3)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
46035,CO-ADD:0247603,2.69,C(C(OCC)=O)(C(c1ccc(cc1)Br)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
46036,CO-ADD:0248216,2.69,C1(N(C(C)C)C(C)C)=CC(OC12CCCCC2)=O,0.0
46037,CO-ADD:0252372,2.69,[S+]([O-])(NN1c2ccccc2)N(c3ccccc3)N[S+]1[O-],0.0
46038,CO-ADD:0247952,2.69,C(F)(F)(F)c(ccc(c1\N=C\c2cccc(Cl)c2O)N3CCCC3)c1,0.0
46039,CO-ADD:0253089,2.68,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)Nc(cc3)ccc3CC)o1,0.0
46040,CO-ADD:0252208,2.68,C(=O)(N\N=C/c(ccc(c1I)O)c1)c2ccc(cc2)F,0.0
46041,CO-ADD:0254895,2.68,c1(cc(n2c3ccc(cc3)F)c4ccccc4)c2CC(C)(C)CC1=O,0.0
46042,CO-ADD:0247777,2.68,C1(O)(c2ccc(cc2)OC)C=C(C(=O)N1c3ccccc3)O,0.0
46043,CO-ADD:0254665,2.68,C(C(OCC)=O)(C(c1ccc(cc1)F)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
46044,CO-ADD:0248890,2.68,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c4cccc(OCC=C)c4)C2,0.0
46045,CO-ADD:0254329,2.68,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\Nc3cccc(cccn4)c34)o2,0.0
46046,CO-ADD:0252335,2.68,C(c1ccc(cc1)OC(=O)NC2CCCCC2)(c3ccc(cc3)OC(=O)NC4CCCCC4)(C(F)(F)F)C(F)(F)F,0.0
46047,CO-ADD:0255793,2.68,C1(C(OCCCCCCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCC,0.0
46048,CO-ADD:0250471,2.68,c1(c2c(cccc2Cl)Cl)nnc(ccc3C(F)(F)F)n1c3,0.0
46049,CO-ADD:0253845,2.68,c1(c2c(s3)CCCC2)c3N=CN(\N=C\c(cc4OCC)cc(c4OC)Br)C1=O,0.0
46050,CO-ADD:0253517,2.68,C1(C#N)(C#N)[C@H](c(cc2)ccc2C(F)(F)F)[C@@]([H])(C3)C(C(C#N)=C1N)=CCN3C(=O)OC(C)(C)C.[Na+],0.0
46051,CO-ADD:0255833,2.68,S(=O)(=O)(c1c(Br)ccc(Cl)c1)n2ccnc2C,0.0
46052,CO-ADD:0250553,2.68,n1(c2ccccc2)c(SCC(=O)N3CCCc(cccc4)c34)nnc1c5ccco5,0.0
46053,CO-ADD:0253607,2.68,N1(c2ccc(cc2[N+](=O)[O-])OC)C(=O)C3C(C4CC3C=C4)C1=O,0.0
46054,CO-ADD:0250061,2.68,C(=O)(Nc1ccccc1)NNC(COc2c(C)ccc(C(C)C)c2)=O,0.0
46055,CO-ADD:0255892,2.68,S1(=O)(=O)c(cccc2)c2C(NN(C(OCC)=O)S(=O)(=O)c3ccc(cc3)C)=N1,0.0
46056,CO-ADD:0255414,2.68,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc(n4c5ccc(cc5)Br)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
46057,CO-ADD:0255855,2.68,s1c(c(cccn2)c2)nnc1NC(=O)c(ccc(c3Cl)Cl)c3,0.0
46058,CO-ADD:0256009,2.68,n1c(c2ccc(cc2)C)cc(\N=C\c(cc3)ccc3OC)n1c4ccccc4,0.0
46059,CO-ADD:0250281,2.68,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3OCc4ccc(cc4Cl)Cl)CCC2,0.0
46060,CO-ADD:0250297,2.68,N1(c2ccc(cc2)OCC)C(=O)CC(N(Cc(ccc(c34)OCO3)c4)C(C)=O)C1=O,0.0
46061,CO-ADD:0254068,2.68,C(C#N)(C1c(cc2)ccc2N(C)C)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
46062,CO-ADD:0253358,2.68,c1(Nc2ccccc2OC)sc(c3n1)CCCC3,0.0
46063,CO-ADD:0250131,2.68,C(C(OCC)=O)(C(=O)\C(\N1)=C/c2ccc(cc2Cl)Cl)=C1C,0.0
46064,CO-ADD:0255162,2.68,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c(ccc(c45)OCO4)c5,0.0
46065,CO-ADD:0252719,2.68,S(O)(=O)(=O)c1cccc2c1cccc2N,0.0
46066,CO-ADD:0253063,2.68,C1(=O)c2c(c3c1cccn3)cccc2,0.0
46067,CO-ADD:0248260,2.68,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(cc4OC)cc(c4OCC)I,0.0
46068,CO-ADD:0248234,2.68,n12c(ccc(N\N=C\c(cc3)ccc3N(C)C)n1)nnn2,0.0
46069,CO-ADD:0247850,2.68,C1(CC1)(C2C(C3C(=O)Nc(c(C)ccc4[N+](=O)[O-])c4)C(O)=O)C3C=C2,0.0
46070,CO-ADD:0253096,2.68,S(NCCOc(cc1)ccc1F)(=O)(=O)c2cccc3c2cccc3S(NCCOc(cc4)ccc4F)(=O)=O,0.0
46071,CO-ADD:0247571,2.68,[N+](=O)([O-])c1cccc(c1)\C=N\c(ccc(c2s3)nc3SCC=C)c2,0.0
46072,CO-ADD:0255067,2.68,N(c1cccc(Cl)c1)(C(=O)COc2ccc(cc2Cl)Cl)Cc3ccc(cc3Cl)Cl,0.0
46073,CO-ADD:0254344,2.68,c1(Nc(cc2)ccc2C(C)=O)c(CC=C)c(C)nc(c3ccccc3)n1,0.0
46074,CO-ADD:0249283,2.68,c1(SCC)nc(c2n1Cc(cc3)ccc3OC)cccc2,0.0
46075,CO-ADD:0249019,2.68,C(C(OCC)=O)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
46076,CO-ADD:0249741,2.68,c1(C(OCC)=O)c(cc(OC)cc2)c2n(CCN(CC3)CCN3C)c1C.Cl.Cl,0.0
46077,CO-ADD:0249004,2.68,N1C(=S)NN=C1C2CCCCC2,0.0
46078,CO-ADD:0250392,2.68,N1\C(=N\N=C/c(cc2)ccc2OCc3c(cccc3Cl)F)\SCC1=O,0.0
46079,CO-ADD:0254096,2.68,c12c(ncnc1Nc3ccccc3)c4c(cccc4)o2,0.0
46080,CO-ADD:0253790,2.68,n1(c2ccc(cc2)C)c(c3ccccc3)c(cc1c4ccccc4)\C=N\NC(c(cc5)ccn5)=O,0.0
46081,CO-ADD:0253590,2.67,c(C#N)(c1c2ccc(cc2)OC)c(\N=C\c(cc3)ccc3[N+](=O)[O-])oc1c4ccc(cc4)OC,0.0
46082,CO-ADD:0250556,2.67,c1(c(ccc(c1)[N+](=O)[O-])N(CCNc(cc2)c(Cl)cc2[N+](=O)[O-])CC(C)O)[N+](=O)[O-],0.0
46083,CO-ADD:0255335,2.67,c(sc(c1C(F)(F)F)c2ccc(cc2)Cl)(N(c3ccc(cc3C)C)C(=O)c4cccc(OC)c4)n1,0.0
46084,CO-ADD:0250374,2.67,n12c(S\C(=C\c(ccc(c3OC)OCC(OCC)=O)c3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
46085,CO-ADD:0250406,2.67,c1(cn(nc1c2ccccc2)Cc3ccc(cc3Cl)Cl)C4Nc(ccc(c56)cccc5)c6C(CC(C)(C)CC7=O)=C47,0.0
46086,CO-ADD:0254061,2.67,N1(c2ccccc2F)C(=O)C(CC1=O)S\C(\NCCO)=N\c3ccccc3,0.0
46087,CO-ADD:0250113,2.67,c1(Nc(cc2)ccc2OC)nc(Cl)nc(NCc(cccn3)c3)n1,0.0
46088,CO-ADD:0253184,2.67,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3C(OCC)=O)C1=O,0.0
46089,CO-ADD:0253442,2.67,N1(NC(C)=O)C(=O)c2c(cc(cc2)Oc(cccc3[N+](=O)[O-])c3)C1=O,0.0
46090,CO-ADD:0253748,2.67,C(C1)(C2)(CN(CN2C3)CN13)\C(\c4ccc(cc4)Cl)=N/N=C/c5ccc(C)o5,0.0
46091,CO-ADD:0250646,2.67,c1(cn(nc1c2ccccc2)Cc3ccc(cc3Cl)Cl)C4C5=C(CC(C)(C)CC5=O)OC(CC(C)(C)CC6=O)=C46,0.0
46092,CO-ADD:0253795,2.67,N1(CNc2ccc(cc2C)C)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
46093,CO-ADD:0253679,2.67,c1(C2(CCCC2)N(CC3)CCO3)nnnn1c4cccc(Cl)c4,0.0
46094,CO-ADD:0256725,2.67,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(=O)NCc3ccccc3)[N+](=O)[O-],0.0
46095,CO-ADD:0257027,2.67,C(=O)(N\N=C\c1ccc(c2c1cccn2)O)c3ccco3,0.0
46096,CO-ADD:0247612,2.67,N1(c2ccc(c3c2)cccc3)C(c4ccc(cc4)Br)Nc(c5C1=O)cccc5,0.0
46097,CO-ADD:0254901,2.67,C(CC(C)(C)CC1=O)(Nc(cc2)ccc2F)=C1,0.0
46098,CO-ADD:0252709,2.67,C(=C(\Cl)/Cl)(/c(cc1)cc(c1Nc2ccccc2)N)\c(cc3)cc(c3Nc4ccccc4)N,0.0
46099,CO-ADD:0252268,2.67,N(c1c(Cl)ccc(c1)C(F)(F)F)(C(=O)C(C23)C(C)(C=C4)OC24C)C3=O,0.0
46100,CO-ADD:0253094,2.67,N1(C(=O)c(cc2)ccc2[N+](=O)[O-])C(O)(c(cc3)ccn3)CC(C(F)(F)F)=N1,0.0
46101,CO-ADD:0252459,2.67,N1=C(SCC(=O)Nc2nnc(CC)s2)NC(C(c3ccccc3)C1=O)=O,0.0
46102,CO-ADD:0253136,2.67,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c2ccccc2Cl)F,0.0
46103,CO-ADD:0253006,2.67,N1=C(SCC(=O)Nc2scc(c3ccccc3)n2)NC(C(c4ccccc4)C1=O)=O,0.0
46104,CO-ADD:0249726,2.67,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(cc2)ccc2OC(=O)\C=C\c3ccco3,0.0
46105,CO-ADD:0249225,2.67,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)S1)=C\c(cc3)ccc3OCc4ccccc4,0.0
46106,CO-ADD:0252498,2.67,N1(c2ccccc2)C(=O)\C(\SC1=S)=C/c3cccn3c4cccc(c4)[N+](=O)[O-],0.0
46107,CO-ADD:0254309,2.67,N(C(C)(C)C)(\C=C(\Cl)/Cl)C(=O)N\N=C\c1ccccc1,0.0
46108,CO-ADD:0248855,2.67,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)Nc(ccc(c23)OCCO2)c3)c1,0.0
46109,CO-ADD:0249484,2.67,S(C)(=O)(=O)OC1CCCCC1Br,0.0
46110,CO-ADD:0254069,2.67,C(C#N)(C1c(cc2)ccc2N(C)C)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
46111,CO-ADD:0250159,2.67,n1(nnc(C(=O)N\N=C(/C)\Cn2c3c(nn2)cccc3)c1CN(CC)CC)c4nonc4N,0.0
46112,CO-ADD:0249973,2.67,c(c1c([nH]2)cccc1)(\C=N\c3cc(C)ccc3C)c2,0.0
46113,CO-ADD:0256444,2.67,c(cc(cc1C(=O)N\N=C\c(cc2)ccn2)[N+](=O)[O-])(c1O)[N+](=O)[O-],0.0
46114,CO-ADD:0256437,2.67,N(CN(CC1)CCC1C(N)=O)(C2=S)N=C(N2c3ccccc3)c4ccco4,0.0
46115,CO-ADD:0250092,2.67,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
46116,CO-ADD:0250689,2.67,C(=O)(Nc1cccc(Cl)c1)C(c2ccc(cc2)Cl)NC(c3ccccc3)=O,0.0
46117,CO-ADD:0253973,2.67,c1(coc(ccc(O)c2CN(C)C)c12)C(=O)c3oc(nc3C)C.Cl,0.0
46118,CO-ADD:0256900,2.67,c1(cc(F)c(cc1Cl)F)C(=O)Nc2ccc(cn2)Cl,0.0
46119,CO-ADD:0250199,2.66,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c(cc4)ccc4I)n1,0.0
46120,CO-ADD:0250215,2.66,S(c1ccccc1)(=O)(=O)N(Cc2ccccc2)CC(=O)N\N=C\c(cc(OCO3)c3c4)c4Br,0.0
46121,CO-ADD:0255706,2.66,C(/c1c(cccc1)CC23CCCCC2)(\N3)=C(\C#N)/C#N,0.0
46122,CO-ADD:0255792,2.66,C1(C(OCC=C)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OC)=O,0.0
46123,CO-ADD:0256928,2.66,C1(=Nc2c(cccc2)OC1=O)\C(\C(=O)c3ccc(cc3)C)=N\Nc4ccccc4,0.0
46124,CO-ADD:0257109,2.66,N1(N(C)C)\C(=N\c2ccccc2)\S\C(=C\c(cc3OC)cc(c3OC)Br)\C1=O,0.0
46125,CO-ADD:0256845,2.66,o1c(C)ccc1CCC(=O)Nc2ccc(cn2)Cl,0.0
46126,CO-ADD:0256224,2.66,c1(nnc(C)s1)NC(=O)C23CC(CC4C2)CC(C4)C3,0.0
46127,CO-ADD:0255197,2.66,n1c(N2CCCCC2)nc(nc1N(CC3)CCO3)N\N=C\c4c(OC)ccc(cccc5)c45,0.0
46128,CO-ADD:0255191,2.66,n1c(N(CC2)CCO2)nc(nc1N3CCCCC3)N\N=C\c(cc(OCO4)c4c5)c5Br,0.0
46129,CO-ADD:0252628,2.66,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)[C@]2([H])c3ccccc3[N+](=O)[O-],0.0
46130,CO-ADD:0252266,2.66,c1(C#N)c2c(sc1\N=C\c(cccn3)c3)CCC2,0.0
46131,CO-ADD:0254390,2.66,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)C(=O)Nc2cccc(Cl)c2,0.0
46132,CO-ADD:0252583,2.66,N1(c2c(cccc2)CCc(cccc3)c13)N(C)C(=O)c4cccc(I)c4,0.0
46133,CO-ADD:0247589,2.66,c1(SCC(NCCc(ccc(c2OC)OC)c2)=O)sc3c(ccc(N)c3)n1,0.0
46134,CO-ADD:0252485,2.66,n1(CC)c2c(c(cc(cc3)\C=N\c(cc4)ccc4N(CC)CC)c13)cccc2,0.0
46135,CO-ADD:0254761,2.66,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(O)c5,0.0
46136,CO-ADD:0249604,2.66,N1(c2ccc(cc2)Br)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
46137,CO-ADD:0252556,2.66,S(O)(=O)(=O)c1ccc(cc1)NC(COc(ccc(c23)OC(C=C2C)=O)c3)=O,0.0
46138,CO-ADD:0252843,2.66,n1(c2ccccc2)c(SCc(cc3)ccc3F)nnc1c4cccc(Br)c4,0.0
46139,CO-ADD:0255025,2.66,c1(N2CCCC2)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
46140,CO-ADD:0137615,2.66,O=C(NCCN1CCOCC1)C2=CC(NC(C3=CC(NC(C4=CC=C(/C=C/C5=CC6=C(C=CC=C6)N=C5)C=C4)=O)=CN3C)=O)=CN2CCCC7=CN(CCC8=CC=CC=C8)N=N7.OC(C(F)(F)F)=O,0.0
46142,CO-ADD:0257117,2.66,n1(nnc(C(O)=O)c1COC)c2nonc2N,0.0
46143,CO-ADD:0257166,2.66,n1(c(C)cc(C)n1)c2ccc(cc2c([nH]nn3)n3)[N+](=O)[O-],0.0
46144,CO-ADD:0255509,2.66,N1(CCCC1C(=O)Nc2ccccc2OC)C(=O)OCc3ccccc3,0.0
46145,CO-ADD:0250462,2.66,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5OC)cc(c5OCc6cccc(cccc7)c67)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
46146,CO-ADD:0255886,2.66,c1(SC2c3c(c(cccc4)c24)cccc3)sc(c5n1)cccc5,0.0
46147,CO-ADD:0255392,2.66,c1(c2ccccc2Cl)nnc(NC(=O)c3ccco3)s1,0.0
46148,CO-ADD:0253585,2.66,c(C#N)(c1c2ccc(cc2)OC)c(\N=C\c(cc3)ccc3N(C)C)oc1c4ccc(cc4)OC,0.0
46149,CO-ADD:0250652,2.66,C(C(OCC)=O)(C1c2scc(Br)c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
46150,CO-ADD:0250701,2.66,S(=O)(=O)(N(CC1)CCO1)c2c(F)ccc(c2)C(=O)Nc3cccc(F)c3,0.0
46151,CO-ADD:0256075,2.66,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(cc(OCO3)c3c4)c4Br)n1.Cl,0.0
46152,CO-ADD:0253848,2.66,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)CC(=O)N\N=C\c(cc3OC)cc(c3OC)OC,0.0
46153,CO-ADD:0253866,2.66,C12(c3c(cccc3)C(=NN1c4ccccc4)c(cc5)ccc5C(C)C)SC(=NN2c6ccc(cc6)C)C(C)=O,0.0
46154,CO-ADD:0250023,2.66,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2cc(c(C)s2)Br,0.0
46155,CO-ADD:0250047,2.66,n1(nnc(C(N)=O)c1c(cccc2[N+](=O)[O-])c2)c3nonc3N,0.0
46156,CO-ADD:0255690,2.66,N1(c(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4CC)c2)C(=O)c5c(cccc5)C1=O,0.0
46157,CO-ADD:0255562,2.66,c1(NC(=O)CN(CC2)CCO2)nnc(SCC(=O)Nc(cc3)ccc3C)s1,0.0
46158,CO-ADD:0255579,2.66,c1(C#N)c(SCc2ccccc2)cc(cc1SCc3ccccc3)SCc4ccccc4,0.0
46159,CO-ADD:0255192,2.66,[N+](=O)([O-])C(\C=N\c(cc1)ccc1O)\C=N\c2sccn2,0.0
46160,CO-ADD:0252694,2.66,C12=C(CCCC1)NC3(NC2=O)CCCCC3,0.0
46161,CO-ADD:0252654,2.66,n1(c2ccccc2)c(c3ccccc3)cc4c1CC(C)(C)CC(=O)N4,0.0
46162,CO-ADD:0249393,2.66,C(N)(=O)c1ccc(cc1)NC(COc(ccc(c2C)Br)c2)=O,0.0
46163,CO-ADD:0249371,2.66,S(=O)(=O)(N(CC1)CCN1c2cccc(Cl)c2)c3c(C)cc(cc3C)C,0.0
46164,CO-ADD:0248945,2.66,N1C(SCC(=O)Nc2ccccc2C(OC)=O)=NN=C(C)C1=O,0.0
46165,CO-ADD:0249493,2.66,c1(ccccc1Cl)C(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
46166,CO-ADD:0247700,2.66,[N+](=O)([O-])c1ccc(cc1)COC(=O)c2ccccc2c3ccccc3C(=O)OCc(cc4)ccc4[N+](=O)[O-],0.0
46167,CO-ADD:0249282,2.66,N1C(c(cc2)ccc2[N+](=O)[O-])C(CC=C3)C3c(cccc4C)c14,0.0
46168,CO-ADD:0249719,2.66,C(=C/c(cc1OCC)cc(c1O)I)(/C(=O)NN2c3cccc(Cl)c3)\C2=O,0.0
46169,CO-ADD:0254970,2.66,c1(OC(N)=C(C2c(ccc(c3OC)c4ccccc4)c3)C#N)c2c(n[nH]1)COc5ccccc5,0.0
46170,CO-ADD:0254962,2.66,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C/c(cc3)ccc3N(CCC)CCC)c4nonc4N,0.0
46171,CO-ADD:0254753,2.66,c1(ccc(\C=N\NC(=O)c(cccn2)c2)o1)c3cccc(Cl)c3Cl,0.0
46172,CO-ADD:0255408,2.66,N1c(ccc(c2)C)c2C3C(CC=C3)C1c4ccc(cc4)N,0.0
46173,CO-ADD:0256031,2.66,n1c(c2ccccc2)cc(\N=C\c(cc3)ccc3[N+](=O)[O-])n1c4ccccc4,0.0
46174,CO-ADD:0256927,2.66,C1(=Nc2c(cccc2)OC1=O)\C(\C(c3ccccc3)=O)=N\Nc4ccccc4,0.0
46175,CO-ADD:0256618,2.66,C(C(OC)=O)(=C1C)\C(=C\c2ccc(cc2Cl)Cl)\C(N1CCOC)=O,0.0
46176,CO-ADD:0256443,2.66,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c(cc2)ccc2OC(=O)c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3)[N+](=O)[O-],0.0
46177,CO-ADD:0256436,2.66,n1(c2ccccc2)c(COc(cc3)ccc3C4CCCCC4)nnc1SCC(=O)NCc5ccco5,0.0
46178,CO-ADD:0250346,2.65,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C(/C)\c4cccs4,0.0
46179,CO-ADD:0250448,2.65,n12c(S\C(=C\c(cc3)ccc3SC)\C1=O)nc(cc(C)c(C)c4)c24,0.0
46180,CO-ADD:0253983,2.65,S1(=O)(=O)c(cccc2)c2C(NN(C(c3ccccc3)=O)S(=O)(=O)c4ccc(c5c4)cccc5)=N1,0.0
46181,CO-ADD:0256269,2.65,c1(nc(c2n1CC(=O)N\N=C/c(ccc(c3OC)OCc(cc4)ccc4C)c3)cccc2)c5nonc5N,0.0
46182,CO-ADD:0253977,2.65,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C/c4c(OC)ccc(cccc5)c45)\C1=O)=NC(C)=C2C(OCC)=O,0.0
46183,CO-ADD:0256654,2.65,C1(C(OC\C=C\C)=O)=C(C)NC(=O)NC1c(cc2)ccc2N(CC)CC,0.0
46184,CO-ADD:0249941,2.65,C(C#N)(C(c1ccc(cc1)Cl)c(ccc(c2)O)c2O3)=C3N,0.0
46185,CO-ADD:0253967,2.65,C(=C/c1ccccc1)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cccc(C)n3,0.0
46186,CO-ADD:0255765,2.65,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)OCC)c4sc(c5c4C#N)CCCCC5,0.0
46187,CO-ADD:0250506,2.65,n1(c2ccccc2)c(SCC(=O)NC3CCCCC3)nnc1c4cccc(F)c4,0.0
46188,CO-ADD:0255266,2.65,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccc(Oc5ccccc5)c4,0.0
46189,CO-ADD:0256935,2.65,c1(c2ccc(cc2)NC(=O)c3ccccc3Cl)[nH]c(c4n1)cccc4,0.0
46190,CO-ADD:0252839,2.65,C(NCCSc1ccccc1C)(=O)Nc2cccc(c2)NC(NCCSc3ccccc3C)=O,0.0
46191,CO-ADD:0248967,2.65,n1(nnc(C(=O)N\N=C\c2cc(Cl)ccc2O)c1CN3CCCCCC3)c4nonc4N,0.0
46192,CO-ADD:0247442,2.65,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c4c[nH]nc4c5ccccc5,0.0
46193,CO-ADD:0255127,2.65,S(=O)(=O)(N(c1ccccc1)CC(=O)Nc2cccc(Cl)c2)c3ccccc3[N+](=O)[O-],0.0
46194,CO-ADD:0249120,2.65,c(Nc(cc1)ccc1OCC)(s2)nc(c2C(C)=O)C.Cl,0.0
46195,CO-ADD:0249052,2.65,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
46196,CO-ADD:0249046,2.65,N1(c2ccc(cc2)OC)C(=O)CC(N(CCc3ccccc3)C(C)=O)C1=O,0.0
46197,CO-ADD:0249102,2.65,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\CN3C(=O)c(c4C3=O)cccc4)c5nonc5N,0.0
46198,CO-ADD:0254821,2.65,c(c1c2ccccc2)(C3c4ccccc4Cl)c([nH]n1)OC(N)=C3C#N,0.0
46199,CO-ADD:0248059,2.65,c12c(ccc(C3(C)OCCO3)c1)noc2c4ccccc4,0.0
46200,CO-ADD:0254996,2.65,n1(c2cc(C)ccc2Oc(c(ccc3[N+](=O)[O-])C#N)c3)nc4c(cccc4)n1,0.0
46201,CO-ADD:0253798,2.65,n1(c(C)ccc1C)c2cccc(c2)C(=O)N\N=C\c(ccc3c(cccc4[N+](=O)[O-])c4)o3,0.0
46202,CO-ADD:0250664,2.65,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cccc3[N+](=O)[O-])c3)c4sc(c5c4C(OCC)=O)CCCC5,0.0
46203,CO-ADD:0253775,2.65,N1(c2ccccc2)C(=O)c3c(N=C1SCc(cc4)ccc4OC)ccc(I)c3,0.0
46204,CO-ADD:0256518,2.65,C1(O)(c2c(NC1=O)cccc2)C(C(O)=C)C(c3ccccc3)=O,0.0
46205,CO-ADD:0256542,2.65,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
46206,CO-ADD:0256157,2.65,C(=N/c1ccccc1Cl)(/S\C(\C2=O)=C/c3cc(OC)ccc3OC)\N2,0.0
46207,CO-ADD:0250341,2.65,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)Nc2ccccc2C(OC)=O,0.0
46208,CO-ADD:0256699,2.65,n1c(c2ccc(c(OC)c2)OC)[nH]c(c3ccccc3)c1c(ccc(c45)c(c6C4=O)cccc6)c5,0.0
46209,CO-ADD:0256507,2.65,c1(c(OC)cc(c(OC)c1)Cl)NC(CCCCCC)=O,0.0
46210,CO-ADD:0256825,2.65,C1(C)(C(OCC)=O)C=C(C(=O)N1c(cc2)ccc2[N+](=O)[O-])Nc(cc3)ccc3[N+](=O)[O-],0.0
46211,CO-ADD:0257058,2.65,N1(CN2CCC(CC2)C)c(cccc3)c3\C(=N/c4cccc(F)c4)\C1=O,0.0
46212,CO-ADD:0257066,2.65,C(F)(F)(F)c(cccc1NC(=O)C(NCCOc(cc2)ccc2Cl)=O)c1,0.0
46213,CO-ADD:0253939,2.65,c1(Sc2ccc(\C=N\Nc3sc(c4n3)cccc4)o2)nnnn1c5ccccc5,0.0
46214,CO-ADD:0256184,2.65,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc4Br)cc(c4O)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
46215,CO-ADD:0256232,2.65,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(SC(C(c(cccc5)c5C6=O)=O)=C67)N37)N(C(=O)N1C)C,0.0
46216,CO-ADD:0255829,2.65,C(c1ccccc1)(CC2)(CCN2CCC(=O)Nc3ccccc3)C(OCC)=O,0.0
46217,CO-ADD:0257179,2.65,N1(C(C)(C)C)Sc2c(N=C1S)cccc2,0.0
46218,CO-ADD:0253554,2.65,n12c(cc(c(cc3)ccc3C(C)(C)C)n1)nc(c4ccccc4)cc2c5ccccc5,0.0
46219,CO-ADD:0249099,2.65,N12C(=NCC1)SC=C2c3ccc(cc3)C.Br,0.0
46220,CO-ADD:0254285,2.65,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C(\CC2)/CCN2C)c3ccccc3[N+](=O)[O-],0.0
46221,CO-ADD:0254289,2.64,S(=O)(=O)(c1ccc(cc1)Br)N(c2ccc(cc2)OCC)CC(=O)N\N=C\c3cccs3,0.0
46222,CO-ADD:0254720,2.64,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(ccc4c5ccccc5C(O)=O)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
46223,CO-ADD:0255136,2.64,C(C(OC)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
46224,CO-ADD:0248969,2.64,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c3ccc(cc3)Br)c4nonc4N,0.0
46225,CO-ADD:0247870,2.64,N(C(=O)\C(\S1)=C/c(ccc(c23)OCO2)c3)=C1N4CCC(CC4)C,0.0
46226,CO-ADD:0254589,2.64,C(=S)(c1ccc(c(O)c1)O)N(CC2)CCO2,0.0
46227,CO-ADD:0254666,2.64,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C(OCC)=O)=C1N)c(ccs4)c4,0.0
46228,CO-ADD:0254373,2.64,c12c(nnc(N\N=C\c3cccc(OC)c3)n1)c(c4[nH]2)cccc4C,0.0
46229,CO-ADD:0249058,2.64,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(OC)c(cc5Br)O,0.0
46230,CO-ADD:0249674,2.64,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(=O)Nc3ccccc3)o1,0.0
46231,CO-ADD:0255533,2.64,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=O)NC1c3ccc(cc3)Cl,0.0
46232,CO-ADD:0250030,2.64,c1(cc(ccc1Cl)NC(c2ccccc2)=O)C(=O)N(CC3)CCO3,0.0
46233,CO-ADD:0250536,2.64,N1(CC(=O)Nc2c(C)cccc2C)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
46234,CO-ADD:0250001,2.64,c(c1c2ccccc2)(C3c4ccc(cc4)C)c([nH]n1)OC(N)=C3C#N,0.0
46235,CO-ADD:0253824,2.64,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)Nc(cc5)ccc5C,0.0
46236,CO-ADD:0256136,2.64,N1(c2cccc(Cl)c2C)C(CC(C)(C)CC3=O)=C3C(C(C(OC)=O)=C1N)c(cc4)ccc4[N+](=O)[O-],0.0
46237,CO-ADD:0253507,2.64,c1(N(CC2)CCN2c3ccccc3)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
46238,CO-ADD:0253155,2.64,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)Nc(cc2)ccc2Cl)Cl)c1,0.0
46239,CO-ADD:0255489,2.64,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cccc3[N+](=O)[O-])c3)c4sc(c5c4C#N)CCCC5,0.0
46240,CO-ADD:0255420,2.64,[N+](=O)([O-])c1cccc(c1C)C(=O)Nc(cc2)ccc2C(C)=O,0.0
46241,CO-ADD:0253654,2.64,C(=C\c1ccccn1)(/C=C(O2)c3ccc(cc3)C)\C2=O,0.0
46242,CO-ADD:0256188,2.64,C1(c2ccccc2)(CC1(Cl)Cl)C(=O)Nc3ccccc3F,0.0
46243,CO-ADD:0250669,2.64,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n1,0.0
46244,CO-ADD:0250209,2.64,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)OC)CC(=O)N\N=C\c(cc3)ccc3OCc4ccccc4,0.0
46245,CO-ADD:0256478,2.64,N1(c(ccc(c2s3)nc3SCC(=O)Nc(ccc(c45)c6c(cccc6)o4)c5)c2)C(=O)c(c7C1=O)cccc7,0.0
46246,CO-ADD:0256228,2.64,c1([N+](=O)[O-])ncn(C)c1Sc2[nH]c(c3n2)cc(c(C)c3)C,0.0
46247,CO-ADD:0250240,2.64,C(C(OCC)=O)(C1c(cccn2)c2)=C(N)OC(CC(OCC)=O)=C1C#N,0.0
46248,CO-ADD:0250002,2.64,c(c1c2ccccc2)(C3c4ccc(cc4Cl)Cl)c([nH]n1)OC(N)=C3C#N,0.0
46249,CO-ADD:0254551,2.64,C1(N(c2ccccc2)CCN1c3ccccc3)c4cc(OC)c(cc4[N+](=O)[O-])OC,0.0
46250,CO-ADD:0247474,2.64,S(NCC\N=C\c(cc1)ccc1N(C)C)(=O)(=O)c2ccc(cc2)C,0.0
46251,CO-ADD:0254417,2.64,C(=N/O)(/C(OCC)=O)\C(\C)=N\NC(=O)CC(=O)N\N=C(/C)\C(=N/O)\C(OCC)=O,0.0
46252,CO-ADD:0255147,2.64,c(c(N)c(c12)cc(c(N)n1)C#N)(s2)C(=O)N(c3ccccc3)c4ccccc4,0.0
46253,CO-ADD:0252765,2.64,c(Nc(ccc(c1Cl)C)c1)(s2)nc(c2C(C)=O)C.Cl,0.0
46254,CO-ADD:0252836,2.64,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C(/C)\c2ccc(cc2)O,0.0
46255,CO-ADD:0252610,2.64,C12(c3c(C(c4ccccc4)(c5ccccc5)N1c6ccccc6)cccc3)SC(=NN2c7ccccc7)C(C)=O,0.0
46256,CO-ADD:0248944,2.63,c1(cc(c2o1)cccc2)C(=O)Nc3ccccc3C(OC)=O,0.0
46257,CO-ADD:0247780,2.63,c1(cc(C)ccc1O)\C=N\c(cc2)ccc2C(c3ccccc3)=O,0.0
46258,CO-ADD:0249267,2.63,N1C(=O)\C(\SC1=O)=C/c2cccc(c2)OCc3ccccc3,0.0
46259,CO-ADD:0248993,2.63,c1(SCC=C)sc2c(ccc(c2)\N=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3)n1,0.0
46260,CO-ADD:0249458,2.63,c1(C(C)C)cc(Br)c(cc1OCC(=O)N\N=C\c2ccc(cc2OC(C)=O)OC(C)=O)C,0.0
46261,CO-ADD:0249965,2.63,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N2CCCCCC2,0.0
46262,CO-ADD:0253556,2.63,N1(CN(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])c(cccc4)c4\C(=N\c(ccc(c5Cl)C)c5)\C1=O,0.0
46263,CO-ADD:0250702,2.63,S(c1ccccc1)(=O)(=O)c(cc2)ccc2C(=O)N3CCC(CC3)Cc4ccccc4,0.0
46264,CO-ADD:0253533,2.63,n1(c2ccccc2)c(SCC(=O)c3ccc(cc3)CC)nnc1c4ccc(cc4)OC,0.0
46265,CO-ADD:0256027,2.63,N1(Cc(cc2)ccc2S(=O)(=O)NCc(cc3OC)cc(c3OC)OC)C(=O)c(c4C1=O)cccc4,0.0
46266,CO-ADD:0255369,2.63,c1(NC(COc2ccc(cc2Cl)Cl)=O)sc(cc1C(OCC)=O)CC,0.0
46267,CO-ADD:0255542,2.63,c1(OC)c(OC)cc(cc1OC)\C=N\c(cccc2C(C)=O)c2,0.0
46268,CO-ADD:0249899,2.63,c1(nnc(Cc(cc2)ccc2Cl)s1)NC(=O)c(cc3)ccc3C(C)(C)C,0.0
46269,CO-ADD:0253492,2.63,N(C(=O)\C(\S1)=C/c(ccc(c2OC)O)c2)=C1N3CCCCCC3,0.0
46270,CO-ADD:0253244,2.63,c1(ccc(\C=N\c2cccc3c2cccc3\N=C\c(ccc4[N+](=O)[O-])s4)s1)[N+](=O)[O-],0.0
46271,CO-ADD:0249984,2.63,N1(c(cc2)ccc2C(=O)OCC(=O)Nc3ccc(cc3[N+](=O)[O-])Cl)C(=O)c4c(cccc4)C1=O,0.0
46272,CO-ADD:0250024,2.63,c1(OC(N)=C(C2c3ccc(CC)s3)C#N)c2c(n[nH]1)C,0.0
46273,CO-ADD:0253724,2.63,C(=C/c1ccccc1OCc2ccc(cc2Cl)Cl)(/C(=O)NC(N3)=S)\C3=O,0.0
46274,CO-ADD:0255453,2.63,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(c(OC)c3)OC)c4sc(c5c4C(OCC)=O)CCCC5,0.0
46275,CO-ADD:0253936,2.63,C(F)(F)(F)c(cccc1\N=C(\SCCCC2)/N2)c1,0.0
46276,CO-ADD:0256959,2.63,C(c1ccccc1)(=O)N\N=C\c2ccc[nH]2,0.0
46277,CO-ADD:0255337,2.63,N1(c(cccc2)c2C(N(C)C13)Sc(ccc(c4)[N+](=O)[O-])c34)S(=O)(=O)c5ccc(cc5)C,0.0
46278,CO-ADD:0256804,2.63,n1c(c2ccc(cc2)C)[nH]c(c3ccccc3)c1c(ccc(c45)c(c6C4=O)cccc6)c5,0.0
46279,CO-ADD:0252818,2.63,N1(CN(CC2)CCN2c3ccccc3F)C(=O)c(c4C1=O)cccc4,0.0
46280,CO-ADD:0254744,2.63,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccc(Cl)c4Cl,0.0
46281,CO-ADD:0252562,2.63,C(O)(Cc1ccccc1)(C(C)C2)CC(N2C)C,0.0
46282,CO-ADD:0249396,2.63,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
46283,CO-ADD:0247656,2.63,C(CCCC(Cl)(Cl)Cl)(CO)([N+](=O)[O-])[N+](=O)[O-],0.0
46284,CO-ADD:0249660,2.63,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3cccc(OC)c3OC,0.0
46285,CO-ADD:0249310,2.63,N1(c2ccc(cc2)Cl)C(=O)C(C3(C)C1=O)C(CC34)C=C4,0.0
46286,CO-ADD:0247795,2.63,c(c(N)ncn1CC(CO)O)(nc(n2)SCc3ccccc3)c12,0.0
46287,CO-ADD:0249249,2.63,C(=S)(Nc1cccc(cccc2)c12)N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-],0.0
46288,CO-ADD:0249311,2.63,N1(\N=C\c(cc(OCO2)c2c3)c3Br)C(=O)C4C(C(C5(CC5)C46)C=C6)C1=O,0.0
46289,CO-ADD:0247452,2.63,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C(/Br)\C=C\c4ccccc4,0.0
46290,CO-ADD:0254293,2.63,c1(sc(c2n1)cccc2)Sc3ccc(\C=N\Nc4sc(c5n4)cccc5)o3,0.0
46291,CO-ADD:0256839,2.63,N1(c2cccc(c2)C(O)=O)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
46292,CO-ADD:0250127,2.63,C(=O)(N\N=C\c1ccccc1OCc2ccccc2)C(=O)NCc(cc3)ccc3OC,0.0
46293,CO-ADD:0256270,2.63,C(=C\c(cc1)cc(c1Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)OC)(/C3=O)\Sc(c34)cccc4,0.0
46294,CO-ADD:0255587,2.63,S(=O)(=O)(N(CC1)CCO1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c3cc(ccc3N(CC4)CCO4)[N+](=O)[O-],0.0
46295,CO-ADD:0255584,2.63,C(C(c1ccccc1)=O)(C2c(cc3)ccc3N(C)C)=C(O)C(N2CCCO)=O,0.0
46296,CO-ADD:0256977,2.63,c1(sc(c(ccc2S(C)(=O)=O)n1)c2)NC(=O)c3ccc(cc3)Cl,0.0
46297,CO-ADD:0250170,2.63,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)NC2CCCC2)c3cc(C)cc(C)c3,0.0
46298,CO-ADD:0253369,2.63,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cc4)ccc4C(OC)=O,0.0
46299,CO-ADD:0253657,2.63,c(c(C)sc1C2C3=C(CC(C)(C)CC3=O)NC(C)=C2C(OCC)=O)([N+](=O)[O-])c1,0.0
46300,CO-ADD:0256151,2.63,S1(=O)(=O)c(cccc2)c2C(N(c3ccccc3)CC(OCC)=O)=N1,0.0
46301,CO-ADD:0256681,2.63,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(cc3)ccc3C(C)C)\N2,0.0
46302,CO-ADD:0257122,2.62,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Nc(ccc(c45)OCO4)c5,0.0
46303,CO-ADD:0255597,2.62,C(c1ccccc1Cl)(NC(=O)c2ccccn2)C(=O)Nc3cccc(Cl)c3,0.0
46304,CO-ADD:0253745,2.62,C12=C(C(NC(c(cccc3[N+](=O)[O-])c3)N1)=O)SC(=S)N2c4ccccc4,0.0
46305,CO-ADD:0250084,2.62,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
46306,CO-ADD:0254046,2.62,N1(c2cccc(OCC)c2)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
46307,CO-ADD:0253814,2.62,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(c(OC)c3)O)c4c(C)nn(c5ccccc5)c4O,0.0
46308,CO-ADD:0256731,2.62,c1(SCc(cc2)ccc2[N+](=O)[O-])sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
46309,CO-ADD:0249625,2.62,n1(c2ccccc2)c(SCC(=O)Nc3ccccc3C(OC)=O)nnc1c4cccc(F)c4,0.0
46310,CO-ADD:0254642,2.62,C(=O)(NC1CC1)C(=O)NCc(cc2)ccc2C,0.0
46311,CO-ADD:0254741,2.62,C1(C#N)=C(N)OC(=C2C1c3ccc(c(OC)c3)OC(C)=O)CCCC2=O,0.0
46312,CO-ADD:0254735,2.62,C(C(OCCc1ccccc1)=O)(C2c(cc3)ccc3[N+](=O)[O-])=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
46313,CO-ADD:0254880,2.62,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c(ccc(c4OC)O)c4)\C1=O,0.0
46314,CO-ADD:0255125,2.62,S(=O)(=O)(N(c1ccccc1)CC(=O)NCc(cc2)ccc2Cl)c3ccccc3[N+](=O)[O-],0.0
46315,CO-ADD:0255016,2.62,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(ccc4[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
46316,CO-ADD:0254634,2.62,C(C(OCC)=O)(C1c2ccc(cc2)CC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
46317,CO-ADD:0247769,2.62,c1(cc(ccc1N2CCCC2)C=O)[N+](=O)[O-],0.0
46318,CO-ADD:0254532,2.62,n1(c2ccccc2)nnnc1SCC(=O)NC3CCCCC3,0.0
46319,CO-ADD:0254958,2.62,N1(N=CN2Cc3ccccc3)C2=NC(C)=CC1=O,0.0
46320,CO-ADD:0252522,2.62,S(C)(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)N\N=C\c2cc(OC)ccc2OC,0.0
46321,CO-ADD:0253982,2.62,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3S(=O)(=O)N(CCOC(c4ccccc4)=O)c5ccc(cc5)C)=N1,0.0
46322,CO-ADD:0253372,2.62,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cc4)ccn4,0.0
46323,CO-ADD:0256958,2.62,[N+](=O)([O-])c(cc1)cc(c1N(CCCC2C(=O)N(CC)CC)C2)\C=N\NC(COc(cc3)ccc3OC)=O,0.0
46324,CO-ADD:0256631,2.62,c1([nH]c(c2n1)ccc(c2)\N=C\c3cccc(Br)c3)c4ccc(cc4Cl)Cl,0.0
46325,CO-ADD:0256351,2.62,c1(NC(=O)CN2CCCCC2)nnc(SCC(=O)Nc(cc3)ccc3[N+](=O)[O-])s1,0.0
46326,CO-ADD:0256367,2.62,n1(CC(=O)N\N=C\c(cc2)ccc2N(C)C)nnnc1N,0.0
46327,CO-ADD:0256411,2.62,C(=N\Nc(nnc(c12)c(c3[nH]1)cccc3C)n2)(/C4=O)\c5c(N4)c(ccc5Cl)C.[Na+],0.0
46328,CO-ADD:0256805,2.62,n1c(c2ccc(c(O)c2)O)[nH]c(c3ccccc3)c1c(ccc(c45)c(c6C4=O)cccc6)c5,0.0
46329,CO-ADD:0256829,2.62,N(CCc(c12)c3c(cccc3)[nH]1)(C2c4ccc(cc4)Cl)C(=O)c5ccccc5Cl,0.0
46330,CO-ADD:0256758,2.62,c1(cnc(C)n1CCOc2nonc2N)[N+](=O)[O-],0.0
46331,CO-ADD:0250717,2.62,S(=O)(=O)(N1CCCCCC1)c2c(Cl)ccc(c2)C(=O)Nc(cc3)ccc3C(O)=O,0.0
46332,CO-ADD:0257132,2.62,c1(NC(CSc2oc(c3n2)cccc3)=O)nnc(CC)s1,0.0
46333,CO-ADD:0254934,2.62,C(=O)(N\N=C\c1cccc(cccc2)c12)c3ccccc3C,0.0
46334,CO-ADD:0252356,2.62,c1(cc(c2ccccc2)nc(c3ccccc3)n1)N(O)C(NCCCC)=O,0.0
46335,CO-ADD:0248112,2.62,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)CC)SC(=NN2c6cccc(Cl)c6)C(C)=O,0.0
46336,CO-ADD:0252910,2.62,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3)ccc3OCc4ccc(cc4Cl)Cl,0.0
46337,CO-ADD:0254458,2.62,O(c1ccccc1)CC(O)COc2ccccc2,0.0
46338,CO-ADD:0254395,2.62,[N+](=O)([O-])c1ccccc1NC(CCCC(=O)Nc2ccccc2[N+](=O)[O-])=O,0.0
46339,CO-ADD:0248077,2.62,C(=O)(NNC(=O)\C=C\c1ccccc1)c2cc(OC)cc(OC)c2,0.0
46340,CO-ADD:0254365,2.62,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(c(cccc3)c3n4Cc5ccccc5)c4.Cl,0.0
46341,CO-ADD:0252504,2.62,n1(c2ccccc2)c(SCc(ccc(c3[N+](=O)[O-])OC)c3)nnc1c4cccc(Br)c4,0.0
46342,CO-ADD:0248879,2.62,c1(c2ccco2)nnc(SC(C)C(=O)NC(c3ccccc3)c4ccccc4)o1,0.0
46343,CO-ADD:0248924,2.62,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)NC(CSCC(=O)Nc4ccccc4)=O)n1,0.0
46344,CO-ADD:0247692,2.62,c1(N=Nc(cc2)c(Cl)cc2[N+](=O)[O-])c(c3ccccc3)nc(N)s1,0.0
46345,CO-ADD:0249339,2.62,n1(c2ccccc2)c(SCC(=O)NCc3ccco3)nnc1c4cccc(OC)c4,0.0
46346,CO-ADD:0249226,2.62,N(\C(=C/c1cccc(c1)OCc2ccccc2)\C(O3)=O)=C3c4ccc(cc4)Br,0.0
46347,CO-ADD:0253041,2.62,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc(c4OC)OCc5cccc(cccc6)c56)c4)\C1=O,0.0
46348,CO-ADD:0249404,2.62,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(ccc(c4OC)OCc5ccc(cc5Cl)Cl)c4)nc(Nc(cc6)ccc6C)n1,0.0
46349,CO-ADD:0248847,2.62,c12c(nnc(N\N=C\c(cc(Cl)cc3Br)c3O)n1)c(c4[nH]2)cccc4C,0.0
46350,CO-ADD:0254612,2.62,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc(c4OC)OCc5cccc(cccc6)c56)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
46351,CO-ADD:0252387,2.61,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CSc4sc(c5n4)cccc5,0.0
46352,CO-ADD:0257096,2.61,C(=C/c(ccc(c1OC)OCc2ccccc2Cl)c1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
46353,CO-ADD:0256336,2.61,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cccn3)c3)c4sc(c5c4C#N)CCCC5,0.0
46354,CO-ADD:0256360,2.61,c1(c2ccccc2C#N)nnn(CC(=O)N\N=C\c3ccccc3)n1,0.0
46355,CO-ADD:0250495,2.61,N1C(=O)\C(\SC1=N)=C/c(ccs2)c2,0.0
46356,CO-ADD:0253642,2.61,c1(C(OCC)=O)c(cc(O)cc2)c2n(c3ccccc3)c1CN4CCCC4.Cl,0.0
46357,CO-ADD:0257140,2.61,C(=O)(C(CC)Sc1ccccn1)Nc2cccc(cccc3)c23,0.0
46358,CO-ADD:0256501,2.61,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c(cc3OC)cc(c3O)Cl)=O,0.0
46359,CO-ADD:0253897,2.61,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCc(cc5)ccc5Br)c3,0.0
46360,CO-ADD:0255960,2.61,c1(c(c2)cc(cc2C(C)(C)C)C(C)(C)C)nnc(c3ccccc3)o1,0.0
46361,CO-ADD:0256168,2.61,S(=O)(=O)(c1ccc(cc1)\N=C\c(cccc2[N+](=O)[O-])c2)Nc3ccccn3,0.0
46362,CO-ADD:0257000,2.61,C(COc(cc1)ccc1C2CCCCC2)(NCCOc3ccccc3Cl)=O,0.0
46363,CO-ADD:0252958,2.61,S(CCCCCCCCCC)(=O)(=O)Nc(cc1c(c2Br)cccn1)c2,0.0
46364,CO-ADD:0253020,2.61,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(c3ccccc3)c1CN4CCCC4,0.0
46365,CO-ADD:0255169,2.61,S(=O)(=O)(N(CC)CC)c1[nH]ncn1,0.0
46366,CO-ADD:0253116,2.61,N(C(=O)C(CC)C(N1)=O)=C1SCC(=O)Nc2scc(c3ccccc3)n2,0.0
46367,CO-ADD:0247818,2.61,C(/C(OCC)=O)(\N(C1CCCCC1)C2CCCCC2)=N/OC(=O)Nc3ccccc3,0.0
46368,CO-ADD:0248160,2.61,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(OC)=O)c3nonc3N,0.0
46369,CO-ADD:0248119,2.61,S1(=O)OC(c(cccc2C(OC)=O)c12)(c3ccccc3)c4ccccc4,0.0
46370,CO-ADD:0252245,2.61,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c(ccc(c5Br)OC)c5)n4.Br,0.0
46371,CO-ADD:0254438,2.61,P1(=O)(OCCCO1)C(Nc(cc2)ccc2OC)c3c4c([nH]c3)cccc4,0.0
46372,CO-ADD:0248905,2.61,C1(C(OCCC(C)C)=O)=C(C)NC(NC1c(ccc(c23)OCO2)c3)=O,0.0
46373,CO-ADD:0247688,2.61,[N+](=O)([O-])c1ccc(c(Br)c1)N=Nc(cc2)ccc2N3CCCCC3,0.0
46374,CO-ADD:0254544,2.61,N1(c(cccc2C3=CS\C(=N/c4ccccc4)\N3CCO)c2)C(=O)c(c5C1=O)cccc5.Br,0.0
46375,CO-ADD:0247646,2.61,P(=O)(N1CCCCC1)(N2CCCCC2)C(Cl)(Cl)CC3CCCCC3,0.0
46376,CO-ADD:0249377,2.61,S(=O)(=O)(Nc1ccccc1F)c2c(Cl)ccc(Cl)c2,0.0
46377,CO-ADD:0249227,2.61,C(=N/Nc(nnc(c12)c(c3[nH]1)cccc3C)n2)(/c4c(N5C)cccc4)\C5=O,0.0
46378,CO-ADD:0255077,2.61,N1(c2ccc(c(OC(C)=O)c2)OC)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
46379,CO-ADD:0254874,2.61,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OC)c4)\C1=O,0.0
46380,CO-ADD:0247458,2.61,c(c1)(c(O)cc(O)c1C=O)N=Nc2ccccc2,0.0
46381,CO-ADD:0247958,2.61,C(=O)(N\N=C\c1c2c(cccc2)cc(cccc3)c13)C(=O)NC4CC4,0.0
46382,CO-ADD:0254469,2.61,C12(c(cccc3)c3C(c4ccccc4)(c5ccccc5)O1)N(c6ccccc6)N=C(C(OCC)=O)S2,0.0
46383,CO-ADD:0253675,2.61,n1(CC)c2c(c(cc(cc3)\C=N\c(cc4)ccc4Nc5ccccc5)c13)cccc2,0.0
46384,CO-ADD:0255701,2.61,c1(c(F)c(F)c(c(F)c1F)F)C(=O)Nc(cc2)c(OC)cc2C(O)(C(OCC)=O)C(F)(F)F,0.0
46385,CO-ADD:0250059,2.61,c(C(=O)Nc(cccc1C(F)(F)F)c1)(sc(c23)nc(cc2c4ccccc4)c5ccc(cc5)F)c3N,0.0
46386,CO-ADD:0256454,2.61,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2OC)\C(N1c3ccc(c(C)c3)C)=O,0.0
46387,CO-ADD:0256686,2.61,N12C(S\C(=C\c(ccc3c4ccccc4C(O)=O)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)ccc5OC,0.0
46388,CO-ADD:0256639,2.61,c1(OCc2ccccc2)c(OCc3ccccc3)cc(cc1OCc4ccccc4)C(NCC=C)=O,0.0
46389,CO-ADD:0256062,2.61,c1(Nc(cc2)ccc2OC)nc(N\N=C\c3ccccc3)nc(NCc4ccco4)n1.Cl,0.0
46390,CO-ADD:0256095,2.61,c1(N(C)C)nc(N\N=C/c(ccc2c3c(Cl)ccc(c3)[N+](=O)[O-])o2)nc(Nc(cc4)ccc4F)n1.Cl,0.0
46391,CO-ADD:0256563,2.61,c(cc(C(O)=O)cc1[N+](=O)[O-])([N+](=O)[O-])c1N(CC2)CCN2c3ccccc3OC,0.0
46392,CO-ADD:0256645,2.61,C(c1ccccc1)(C(C)C2)(CC(N2C(C)C)C)OC(c3ccccc3)=O,0.0
46393,CO-ADD:0256365,2.61,c1(cc(\C=N\NC(=O)Cn2nnc(c3ccccc3)n2)c(cc1N4CCCCC4)N5CCCCC5)[N+](=O)[O-],0.0
46394,CO-ADD:0252886,2.61,N1(C(=O)c2c(cc(cc2)Oc(ccc(c3C4=O)C(N4c5sc(c6n5)cccc6)=O)c3)C1=O)c7sc(c8n7)cccc8,0.0
46395,CO-ADD:0248074,2.61,N1(c2ccc(c(C)c2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4O,0.0
46396,CO-ADD:0248209,2.61,c1(SC(C)C(=O)N\N=C\c(cc2)ccc2OCc3ccccc3)nc(C)cc(C)n1,0.0
46397,CO-ADD:0247820,2.6,C1(C2Cc3ccccc3)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC4=O)=C24,0.0
46398,CO-ADD:0248115,2.6,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)S)C2c3ccccc3Cl,0.0
46399,CO-ADD:0247399,2.6,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c3c(cccc3F)Cl,0.0
46400,CO-ADD:0247342,2.6,c(C#N)(c(\C(\C#N)=C\c1cccc(Cl)c1Cl)nn2c3ccccc3)c2N,0.0
46401,CO-ADD:0255135,2.6,C(C(OC)=O)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
46402,CO-ADD:0249408,2.6,n(Cc(cc1)ccc1Cl)(c2c(c3\C=N\n(c4)cnn4)cccc2)c3,0.0
46403,CO-ADD:0249556,2.6,n1(nnc(C(=O)N\N=C\c(cc2)ccc2OCCCCC)c1CN3CCCCCC3)c4nonc4N,0.0
46404,CO-ADD:0249134,2.6,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(ccc(c2OC)OC)c2)n3c(c4c(cc3)cccc4)c1S(CCC)(=O)=O,0.0
46405,CO-ADD:0247887,2.6,N1(CCOC(C)=O)C(=O)c(cc2)c(c3C1=O)c(c2C4=O)c(cc3)C(N4CCOC(C)=O)=O,0.0
46406,CO-ADD:0249195,2.6,C(C(CC)N1CCCCC1)(=Nc(cccc2)c2C3(c4ccccc4)c5ccccc5)O3,0.0
46407,CO-ADD:0247663,2.6,n(c1c2cc(C)c(C)c1)c(O)c(n2)CC(=O)N\N=C\c3ccc(cc3OC)OC,0.0
46408,CO-ADD:0254730,2.6,c1(NC(=O)c2ccccc2F)sc(c(C)c1C(OCC)=O)C(=O)Nc3cccc(Cl)c3,0.0
46409,CO-ADD:0254443,2.6,n1(cc(n2)c3ccc(cc3)OC)c2ccc(Cl)c1,0.0
46410,CO-ADD:0254899,2.6,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc4c5ccc(cc5Cl)[N+](=O)[O-])o4,0.0
46411,CO-ADD:0255076,2.6,N1(c2ccccc2[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
46412,CO-ADD:0252968,2.6,c12c(ccc3c1cccc3[N+](=O)[O-])c(C)c(c(C)n2)C,0.0
46414,CO-ADD:0137571,2.6,O=C(NCCN1CCOCC1)C2=CC(NC(C3=CC(NC(C4=CC=C(/C=C/C5=CC=CC(OC)=C5)C=C4)=O)=CN3C)=O)=CN2CCCC6=CN(CCC7=CC=CC=C7)N=N6.OC(C(F)(F)F)=O,0.0
46415,CO-ADD:0253182,2.6,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\c3ccc(cc3)Cl,0.0
46416,CO-ADD:0255653,2.6,S(=O)(=O)(N1CCCCCC1)c(ccc(c2C(=O)Oc(cccc3NC(=O)c4cccc(OC)c4)c3)Cl)c2,0.0
46417,CO-ADD:0255366,2.6,S(=O)(=O)(N(CCC)CCC)c(cc1)ccc1C(=O)N2CCC(c(cccc3)c23)=O,0.0
46418,CO-ADD:0255639,2.6,[N+](=O)([O-])c1ccccc1C(=O)Nc2ccc(cc2C(O)=O)Cc(ccc(c3C(O)=O)NC(=O)c4ccccc4[N+](=O)[O-])c3,0.0
46419,CO-ADD:0255656,2.6,S(=O)(=O)(N(CC1)CCO1)c2csc(C(=O)Nc(cc3)ccc3OC)c2,0.0
46420,CO-ADD:0253329,2.6,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cc3)ccc3C(=O)Nc4sccn4,0.0
46421,CO-ADD:0250114,2.6,c1(C#N)c(N)nc(c2c1C(OC)=O)CCCC2,0.0
46422,CO-ADD:0253200,2.6,C1(C(OCCc2ccccc2)=O)=C(C)NC(NC1c(cc3OC)cc(c3OC)OC)=O,0.0
46423,CO-ADD:0255632,2.6,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)Nc3cccc(Cl)c3Cl,0.0
46424,CO-ADD:0255980,2.6,S(=O)(=O)(c1ccc(cc1)F)Nc2c(OC)ccc(OC)c2,0.0
46425,CO-ADD:0253787,2.6,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)N4CCCc(cccc5)c45)n2,0.0
46426,CO-ADD:0255914,2.6,C1(C(OCCc2ccccc2)=O)=C(C)NC(NC1c3ccc(c(OC)c3)OC)=O,0.0
46427,CO-ADD:0254924,2.6,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5Br)cc(c5O)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
46428,CO-ADD:0248107,2.6,c1(scc(c2ccccc2)n1)NC(COc(ccc(c34)OC(C=C3C)=O)c4)=O,0.0
46429,CO-ADD:0247890,2.6,C(=O)(Nc(cc1)ccc1OC)c2ccccc2Oc3ccccc3C(=O)Nc(cc4)ccc4OC,0.0
46430,CO-ADD:0248180,2.6,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)\N=C\c4ccccc4)n1,0.0
46431,CO-ADD:0247891,2.6,N1(c2ccccc2c3ccccc3)C(=O)c(c4C1=O)ccc(c4)C(=O)NN5C(=O)c6c(cccc6)C5=O,0.0
46432,CO-ADD:0248106,2.6,N1(COC(CSc2nnc(C)[nH]2)=O)C(=O)c3c(cccc3)C1=O,0.0
46433,CO-ADD:0252281,2.6,n1c(Nc(ccc(c23)OCO2)c3)scc1c4cc(C)ccc4C.Br,0.0
46434,CO-ADD:0247567,2.6,C(c1ccccc1)(=O)N\N=C(/C)\C=C(\C)/C,0.0
46435,CO-ADD:0249628,2.6,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3[N+](=O)[O-])F)c3)nnc1c4ccco4,0.0
46436,CO-ADD:0249205,2.6,c12c(c3c(NC(c4ccc(cc4)Br)O1)cccc3)nnc(SCCC)n2,0.0
46437,CO-ADD:0249637,2.6,c1(c(C)cc(cc1C)C)C(=O)c(cc2)ccc2C(=O)Nc(cc3)ccc3C(C)=O,0.0
46438,CO-ADD:0254688,2.6,C(/CC(=O)c1cccs1)(=N\NC(=O)c2ccc(cc2)Br)\C(F)(F)F,0.0
46439,CO-ADD:0249193,2.6,c1(ccccc1\N=C\c2cc(Br)ccc2O)C(N)=O,0.0
46440,CO-ADD:0249732,2.6,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccs3,0.0
46441,CO-ADD:0287751,2.6,S(=O)(=O)(c(cccc1C(=O)Oc2cccc(cccn3)c23)c1)N4CCCCCC4,0.0
46442,CO-ADD:0299420,2.6,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cccc4C(O)=O)c4,0.0
46443,CO-ADD:0217094,2.6,N1(C)C=CC(C=C1)=N.I,0.0
46444,CO-ADD:0217351,2.6,N(\C(=C/c(ccc1c2ccc(cc2)I)o1)\C(O3)=O)=C3c4ccc(cc4)F,0.0
46445,CO-ADD:0216940,2.6,N1(CNc(cc2)ccc2Br)C(=O)\C(\SC1=S)=C\c3ccc(C)o3,0.0
46446,CO-ADD:0288729,2.6,c(n1Cc2sc(nn2)C(Nc3ccc(OC)cc3)=O)nc([N+](=O)[O-])c1,0.0
46447,CO-ADD:0289343,2.6,n1c(CCNC)onc1COCC.Cl,0.0
46448,CO-ADD:0288880,2.6,c(n1C2CCN(S(c3ccc(C)cc3)(=O)=O)CC2)(nc([N+](=O)[O-])c1C)C,0.0
46449,CO-ADD:0289269,2.6,C(=O)(c1ccc(cc1)OCC(CC2)CCN2)NC(C)C.Cl,0.0
46450,CO-ADD:0288842,2.6,C(N(C(=O)OC(C)(C)C)CC1)CC1CC(=O)NCC#C,0.0
46451,CO-ADD:0286380,2.59,c12c(ccc(cccc3)c13)NC(CC2c4ccc(cc4)SC)=O,0.0
46452,CO-ADD:0286901,2.59,C12(c(cccc3)c3C(c4ccc(cc4)Cl)(c5ccc(cc5)Cl)S1)N(c6ccc(cc6)C)N=C(C(OCC)=O)S2,0.0
46453,CO-ADD:0299525,2.59,N1(C(C)(C)C\C(\CC1(C)C)=N/O)OC(c2ccccc2)=O,0.0
46454,CO-ADD:0286302,2.59,c12n(c3c(cccc3)n1CC(NN)=O)cc(c4ccccc4)c2,0.0
46455,CO-ADD:0292090,2.59,N1(c2ccccc2OC)C(=O)c3c(c(ccc4N5CCCCC5)C1=O)c4ccc3,0.0
46456,CO-ADD:0291805,2.59,c1(S(=O)(=O)c2ccc(cc2)C)c(N3CCCCC3)oc(c4cccc(C)c4)n1,0.0
46457,CO-ADD:0291933,2.59,c1(n[nH]cn1)C(=O)Nc(cc2)ccc2C,0.0
46458,CO-ADD:0259651,2.59,c1(ccc(c2c1O)cccc2)C(=O)Nc3ccccc3,0.0
46459,CO-ADD:0217615,2.59,C(=O)(N\N=C\c1ccc(cc1OCCC)OCCC)C(Oc2ccccc2)Oc3ccccc3,0.0
46460,CO-ADD:0217396,2.59,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(=O)c(cccn3)c3,0.0
46461,CO-ADD:0259009,2.59,S(CCCCCCCCCC)(=O)(=O)Nc(cc1)ccc1OCCCC,0.0
46462,CO-ADD:0258465,2.59,c1(cc(OC)cc(cccn2)c12)NC(=O)c(ccc(c34)OCO3)c4,0.0
46464,CO-ADD:0257360,2.59,c1(c2ccccc2Cl)nnn(CC(=O)N([H])\N=C\c(cc(I)cc3I)c3O)n1,0.0
46465,CO-ADD:0258360,2.59,c1(SCC(=O)Nc(cc2)ccc2CC)sc3c(ccc(c3)NC(=O)\C=C/c4ccccc4)n1,0.0
46466,CO-ADD:0258496,2.59,c12c(non1)nc(Nc(cc3)ccc3C(OCC)=O)c(N\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n2,0.0
46467,CO-ADD:0278091,2.59,s1c(c2ccccc2)nnc1NC(=O)Nc(cc3)ccc3OC,0.0
46468,CO-ADD:0277883,2.59,c1(CCS(=O)(=O)c2ccc(cc2)C)n(CCC#N)c3c(cccc3)n1,0.0
46469,CO-ADD:0278152,2.59,N1(CC(=O)OC2CC(C)CCC2C(C)C)C(=O)CN(c3ccccc3)C1=O,0.0
46470,CO-ADD:0164883,2.59,CS(=O)(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1.O.O,0.0
46471,CO-ADD:0164473,2.59,CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccccc1.OC(=O)CC(O)(CC(=O)O)C(=O)O,0.0
46472,CO-ADD:0164828,2.59,COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c1ccc(F)cc1,0.0
46473,CO-ADD:0164836,2.59,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C,0.0
46474,CO-ADD:0164950,2.59,CCCN[C@H]1CCc2nc(N)sc2C1,0.0
46475,CO-ADD:0285379,2.59,C(C#N)(C1=O)=C(c2ccccc2)N=C(SCC(=O)Nc3scc(c4ccccc4)n3)N1,0.0
46476,CO-ADD:0285772,2.59,S(=O)(=O)(c1ccc(cc1)I)N(CC2)CCN2c3ccccc3,0.0
46477,CO-ADD:0285332,2.59,S1(=O)(=O)c(cccc2)c2C(N(CCCC)c3ccccc3)=N1,0.0
46478,CO-ADD:0154559,2.59,ClCCN1CCCCC1.Cl,0.0
46479,CO-ADD:0154558,2.59,ClCCCC1CCNCC1.Cl,0.0
46480,CO-ADD:0154555,2.59,C#CCN([H])CC.Br,0.0
46481,CO-ADD:0217192,2.59,C(/O)(\c1ccc(cc1)Cl)=C/C=N/c2ccccc2,0.0
46482,CO-ADD:0288523,2.59,n(CCN)(c(C)cn1)c1C.Cl.Cl,0.0
46483,CO-ADD:0288593,2.59,c1ccc(c2ncc(n2CC3CCN(C(OC(C)(C)C)=O)CC3)C)cc1,0.0
46484,CO-ADD:0217504,2.59,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C/c3cccs3)OC(=O)c4cccc(Br)c4)c1,0.0
46485,CO-ADD:0217528,2.59,N(\C(=C/c1cccs1)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
46486,CO-ADD:0289246,2.59,C(=O)(NCc1cccc(F)c1)C2(CCCCN2)C.Cl,0.0
46487,CO-ADD:0288827,2.59,c1(occc1)C(NCC#C)=O,0.0
46488,CO-ADD:0289303,2.59,C(=O)(OC(C)(C)C)N1CCC(CC1)C(N)=O,0.0
46489,CO-ADD:0286104,2.59,c1(cc(I)ccc1Cl)C(=O)N\N=C\c(ccc2c(cccc3C(F)(F)F)c3)o2,0.0
46490,CO-ADD:0286552,2.59,N(Cc1ccco1)(C2=O)C(=O)NC(=O)C2(CCc(cc3)ccn3)CCc(cc4)ccn4,0.0
46491,CO-ADD:0217220,2.59,C(=O)(Nc1ccccc1OCC(F)(F)C(F)F)c2ccccc2I,0.0
46492,CO-ADD:0257569,2.59,c1(CN(C)C)nnnn1c(cc2)ccc2n3nnnc3CN(C)C,0.0
46493,CO-ADD:0259673,2.59,c(nc(N)c(c1c2ccc(c(OC)c2)O)C#N)(nc3S)c1c(n3)O,0.0
46494,CO-ADD:0278838,2.59,C(=O)(c1cccs1)Nc2cc(ccc2NC(=O)c3cccs3)C(O)=O,0.0
46496,CO-ADD:0279164,2.59,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4ccc(c(Cl)c4)Cl,0.0
46497,CO-ADD:0277835,2.59,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)Nc(cc3)ccc3C(OC)=O,0.0
46498,CO-ADD:0277365,2.59,C(S(C)(=O)=O)(C(c1ccccc1)N(C2=O)c3ccccc3)=C2O,0.0
46499,CO-ADD:0277669,2.58,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1N)C3CC3,0.0
46500,CO-ADD:0215142,2.58,C(=C\Nc(ccc(c1[N+](=O)[O-])N)c1)(/C2=O)\C(=O)NC(=O)N2,0.0
46501,CO-ADD:0285052,2.58,C1(=NC(=O)NC2=O)C2=Cc(cccc3)c3N1c4ccc(c(Cl)c4)Cl,0.0
46502,CO-ADD:0285725,2.58,c1(cc(cc(SCC(OC)=O)c1C(N)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
46503,CO-ADD:0288809,2.58,c1(C(NCC#C)=O)cc(F)ccc1,0.0
46504,CO-ADD:0288802,2.58,c1(C2CC=CC2)ncc(nn1)C,0.0
46505,CO-ADD:0285316,2.58,N(/OC(=O)c1ccccc1C)=C(/c2ccccc2)\c3ccccn3,0.0
46506,CO-ADD:0288440,2.58,n1(Cc2ccccc2)c(C)cnc1CC(CC3)CCN3,0.0
46507,CO-ADD:0289282,2.58,C(CCCN1)(C)(C1)C(NC)=O.Cl,0.0
46508,CO-ADD:0300053,2.58,S(=O)(=O)(Nc1ccc(c(OC)c1)OC)c(ccc2c3c4c(o2)cccc4)c3,0.0
46509,CO-ADD:0288797,2.58,c(C12CC(CC3C1)CC(C2)C3)(ncc4C)nn4,0.0
46510,CO-ADD:0290399,2.58,N12C(S\C(=C\c(c(C)cc(c3C(C)C)OC)c3)\C1=O)=NC(C)=C(C(C)=O)C2c4ccc(cc4OC)OC,0.0
46511,CO-ADD:0290514,2.58,C1(c2ccc(cc2)Cl)(Cc3ccccc3Br)C(=O)c4c(cccc4)C1=O,0.0
46512,CO-ADD:0290548,2.58,n12c(S\C(=C/c3cc(Cl)ccc3OCc4ccccc4)\C1=O)nc(cc(C)c(C)c5)c25,0.0
46513,CO-ADD:0283207,2.58,C1(C(=O)CC(CC1=O)(C)C)C(c(cc2)ccc2C#CC(C)(C)O)C3C(=O)CC(CC3=O)(C)C,0.0
46514,CO-ADD:0278046,2.58,C(=O)(c1ccc(cc1)F)N(CC2)CCN2c3ccc(cc3F)\C(\C)=N\Nc(cc4)ccc4F,0.0
46515,CO-ADD:0278153,2.58,C1(C)(\C(\C2)=N\OC(=O)c3cc(c4o3)cccc4)C(C)(C)C2CC1,0.0
46516,CO-ADD:0258418,2.58,s1c(C)ccc1\C=N\c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c4ccc(C)s4,0.0
46517,CO-ADD:0259864,2.58,N(c1ccccc1Cl)(C(=O)C(C23)C(C(C)=O)=NN2c4ccccc4)C3=O,0.0
46518,CO-ADD:0217389,2.58,N1(CNc2ccccc2OC)C(=O)\C(\SC1=O)=C\c(cccc3[N+](=O)[O-])c3,0.0
46519,CO-ADD:0215279,2.58,N1(c2cccc(Cl)c2)C(=O)C3C(C(c4ccccc4)C=CC3c5ccccc5)C1=O,0.0
46520,CO-ADD:0215679,2.58,C(=N/Nc1ccccc1)(/C2=O)\C(=O)OC(C)(C)O2,0.0
46521,CO-ADD:0164627,2.58,CCOC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12,0.0
46522,CO-ADD:0279210,2.58,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3OCc(ccc(c4Cl)Cl)c4)\N2C5CCCC5,0.0
46523,CO-ADD:0217756,2.58,N1(CNc(cc2)ccc2C(OCCCC)=O)C(=O)\C(\SC1=S)=C/c(cc3)ccc3N(CC)CC,0.0
46524,CO-ADD:0285980,2.58,OC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=N/NC(C2=CC=NC=C2)=O,0.0
46525,CO-ADD:0215029,2.58,c1(SCC(=O)N\N=C\c2ccccc2O)sc(c3n1)cccc3,0.0
46526,CO-ADD:0217746,2.58,C1(COC(=O)Nc(cc2)ccc2OC)c(cccc3)c3c4c1cccc4,0.0
46527,CO-ADD:0286815,2.58,S(N)(=O)(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O,0.0
46528,CO-ADD:0285700,2.58,S(=O)(=O)(c1ccc(cc1)NC(C)=O)NC(CC)C(O)=O,0.0
46529,CO-ADD:0288814,2.58,C(OC)C(=O)NCC#C,0.0
46531,CO-ADD:0288574,2.58,C1(CCN(C1)C(OC(C)(C)C)=O)Cc2ncc(C)n2C3CC3,0.0
46532,CO-ADD:0288958,2.58,C1(=NCC2)N2c(ccc(c3)C(OC)=O)c3Oc(cccc4)c14,0.0
46533,CO-ADD:0289108,2.58,c1(C(=O)Nc2ccccc2F)sc(nn1)CCC(O)=O,0.0
46534,CO-ADD:0258888,2.58,N1(C(c2ccccc2)C(O)=O)C(=O)c3c(c4C1=O)c(c5cc3)c(cc4)CC5,0.0
46535,CO-ADD:0154588,2.58,ClC1=NC2=CC=C(C)C=C2C=C1C=O,0.0
46536,CO-ADD:0156638,2.58,NC([C@@H](NC(C1=CC=C(C=C1Cl)Cl)=O)CC(C)C)=O,0.0
46538,CO-ADD:0284111,2.58,N(c1ccccc1OC)C(=O)CCN(CC2)CCN2CCC(=O)Nc3ccccc3OC,0.0
46540,CO-ADD:0279023,2.58,N1(C2CCCCC2)C(=O)\C(\SC1=S)=C/c(ccc3c4c(Cl)ccc(c4)[N+](=O)[O-])o3,0.0
46541,CO-ADD:0278927,2.58,c1(cc(c2o1)cccc2)C(=O)N\N=C\c3ccccc3OCc4ccccc4,0.0
46542,CO-ADD:0260024,2.58,N(c1ccc(cc1)OCC)(C(c(cc2)ccc2C(C)(C)C)C=C3Nc(cc4)ccc4OCC)C3=O,0.0
46543,CO-ADD:0284840,2.58,c1(SCc2cc(Cl)ccc2Cl)sc3c(ccc(c3)\N=C\c4ccccc4O)n1,0.0
46544,CO-ADD:0259270,2.58,N(C)(C(NC(NCCO)=O)C(N1C)NC(NCCO)=O)C1=O,0.0
46545,CO-ADD:0259322,2.58,n1c(N)c(C#N)cc(C#N)c1SCC(=O)Nc(cc2)ccc2OCCCC,0.0
46546,CO-ADD:0260003,2.58,c1(cc(ccc1Oc2ccccc2C(=O)Nc(c(ccc3C(F)(F)F)OCC(F)(F)F)c3)C(F)(F)F)[N+](=O)[O-],0.0
46547,CO-ADD:0166212,2.58,c1(c(C)cccc1C)OCC(=O)N\N=C\c(ccc(c2OCC)O)c2,0.0
46548,CO-ADD:0166574,2.57,C1(C(=O)N\N=C(/C)\c2ccc(cc2)C)CC1c3ccccc3,0.0
46549,CO-ADD:0165867,2.57,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C/c(cc2)ccc2O,0.0
46550,CO-ADD:0215703,2.57,c1(c(Br)cc(c(\N=C\c(cc(Br)cc2Br)c2O)c1Br)Br)[N+](=O)[O-],0.0
46551,CO-ADD:0215727,2.57,s1c(c(cc2)ccc2[N+](=O)[O-])nnc1NC(=O)c3cccc(OC)c3,0.0
46552,CO-ADD:0165015,2.57,CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12,0.0
46553,CO-ADD:0164588,2.57,COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1,0.0
46554,CO-ADD:0283683,2.57,c1(cc(cc(O)c1C(N)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
46555,CO-ADD:0283875,2.57,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4ccc(c(OCC)c4)O,0.0
46556,CO-ADD:0277933,2.57,C1(=NCC(C)S1)N(c2ccc(c(C)c2)C)C(=O)Nc3ccccc3,0.0
46557,CO-ADD:0286559,2.57,n(c1c(n2)cccc1)(C\C(\c3ccccc3)=N\NC(=O)c4ccccc4N)c2,0.0
46558,CO-ADD:0291364,2.57,n1(CC(=O)NCC(c(cccc2)c2C(N3)=O)=N3)c(C)cc(C)n1,0.0
46559,CO-ADD:0299857,2.57,C(=C/c(ccc(c1OC)OC)c1OC)(/C(=O)NC(N2CC)=S)\C2=O,0.0
46560,CO-ADD:0299905,2.57,N1(c2ccc(cc2)F)C(c(ccc(c3Oc4ccccc4)F)c3)Nc(c5C1=O)cccc5,0.0
46561,CO-ADD:0300073,2.57,C(F)(F)(C(F)(F)OC(F)(F)F)C1=CC(c2c(ccc(c2)Cl)O1)=O,0.0
46562,CO-ADD:0290279,2.57,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(c(cccc3)c3n4Cc5cccc(cccc6)c56)c4)\N2C7CCCC7,0.0
46563,CO-ADD:0290849,2.57,c1(NC(CSc2sc(c3n2)cccc3)=O)sc(cc1C(OCC)=O)c4ccccc4,0.0
46564,CO-ADD:0289030,2.57,n1c(c(ccc(c23)OCO2)c3)c(cn1c4ccccc4)CCC(O)=O,0.0
46565,CO-ADD:0289046,2.57,C(c(c1CN2C(CCC(=O)O)=O)n(C)nc1C(NCc3cc(C)ccc3)=O)C2,0.0
46566,CO-ADD:0289055,2.57,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)CC(O)=O,0.0
46567,CO-ADD:0288745,2.57,C(Cn1c(cnc1c2ccncc2)C)CCCCCCCCCCCCCCCC,0.0
46568,CO-ADD:0286542,2.57,N1(c2ccc(cc2)F)C(=O)CC(N(Cc(ccc(c34)OCO3)c4)C(=O)c5ccc(cc5)Cl)C1=O,0.0
46569,CO-ADD:0217525,2.57,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC)=C\c3cccs3,0.0
46570,CO-ADD:0217534,2.57,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccccc2OC)=O)N(CC3)CCO3)c1,0.0
46571,CO-ADD:0283213,2.57,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3CCNC(=O)C(NC)=O,0.0
46572,CO-ADD:0158244,2.57,O=C(C1=CC=CC(Br)=C1)N/N=C(C)/C2=CC(OC)=C(OC)C=C2,0.0
46573,CO-ADD:0158285,2.57,O=C(N/N=C/C1=CC=C(C2=CC=C(Cl)C=C2)O1)C3=C(O)C=CC(Br)=C3,0.0
46574,CO-ADD:0279055,2.57,n1c(c2ccc(cc2)C)csc1\C(\C#N)=N\Nc(cc3)ccc3OC,0.0
46575,CO-ADD:0277897,2.57,n1c(N)c(C#N)cc(C#N)c1SCC(=O)Nc(cc2)ccc2OCC,0.0
46576,CO-ADD:0260070,2.57,C(C(=O)OCc(cc1)ccc1OC)(C2c(cc3)ccn3)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
46577,CO-ADD:0258382,2.57,N1(c(ccc(c2C(O)=O)Cl)c2)C(=O)C3C(C1=O)C4(C(=O)C3(c5ccccc5)C(=C4c6ccccc6)c7ccccc7)c8ccccc8,0.0
46578,CO-ADD:0258398,2.57,N1(c2ccc(cc2Br)C)C(=O)C(C(C1=O)C34CO)C(c(c35)cccc5)c(c46)cccc6,0.0
46579,CO-ADD:0258414,2.57,N1(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C(=C\c(cc4)ccc4OCc5cccc(cccc6)c56)\C1=O,0.0
46580,CO-ADD:0283547,2.57,N1(c(cc2Cl)cc(c2NC(C)=O)Cl)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
46581,CO-ADD:0257696,2.57,c1(C(=O)NNC(=O)c2ccc(cc2)Cl)nn(cc1Br)C,0.0
46582,CO-ADD:0259530,2.57,S(=O)(=O)(c1ccc(cc1)Cl)NC(c2ccc(cc2)O)C(Cl)(Cl)Cl,0.0
46583,CO-ADD:0259275,2.57,c12c(ccc(Cl)c1Cl)C(C3Cl)C(C(c4ccc(cc4)F)N2)CC3Sc5ccccc5[N+](=O)[O-],0.0
46584,CO-ADD:0259301,2.57,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(cc3)Br)\N2CCc(cc4)ccc4OC.Br,0.0
46585,CO-ADD:0166756,2.57,N1(Cc2ccccc2)C(=O)CC(SC(N\N=C\c(cc3)ccc3Cl)=N)C1=O,0.0
46586,CO-ADD:0166667,2.57,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c4ccc(cc4)CC,0.0
46587,CO-ADD:0215743,2.57,C(=O)(Nc(cc1)ccc1OC)C(=O)NCC2CCCO2,0.0
46588,CO-ADD:0215103,2.57,C(=C/Nc(ccc(c1C(O)=O)Cl)c1)(/C2=O)\C(=O)NC(=S)N2,0.0
46589,CO-ADD:0215135,2.57,C(=C\Nc1cccc(O)c1)(/C2=O)\C(=O)NC(=S)N2,0.0
46590,CO-ADD:0277347,2.57,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4Cl)Cl)c4)\C1=O,0.0
46591,CO-ADD:0259639,2.57,N1=C(NC(C)=O)S\C(=C\c(cc2)ccc2Br)\C1=O,0.0
46592,CO-ADD:0285976,2.57,O=C(N/N=C([C@H]1C[C@@H]2Cl)\C[C@H]2[C@@H]1CO)C3=CC=NC=C3,0.0
46593,CO-ADD:0215251,2.57,N1=C(c2ccc(cc2)OC)CC(c3ccccc3)N1c4ccccc4,0.0
46594,CO-ADD:0215190,2.56,C(=O)(COC(CCCCCCCCC(=O)OCC(=O)c1ccc(cc1)Cl)=O)c2ccc(cc2)Cl,0.0
46595,CO-ADD:0215214,2.56,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)nc(Nc4cc(C)ccc4C)n1,0.0
46596,CO-ADD:0215222,2.56,c1(non2)c2nc(Nc(ccc(c3Cl)Cl)c3)c(N\N=C\c4cccc(Br)c4)n1,0.0
46597,CO-ADD:0215254,2.56,C(=O)(Nc(cc1)ccc1I)Nc2cccc(cccc3)c23,0.0
46598,CO-ADD:0217742,2.56,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c2ccccc2OCCCC)[N+](=O)[O-],0.0
46599,CO-ADD:0285991,2.56,O[C@@H]1[C@@H](C=NNC(C2=CC=NC=C2)=O)[C@H](CCO3)[C@H]3C1,0.0
46600,CO-ADD:0286359,2.56,s1c(c2ccccc2)nnc1NC(CSc3nnc(SCC(=O)Nc4nnc(c5ccccc5)s4)s3)=O,0.0
46601,CO-ADD:0285753,2.56,C(O)(=O)C(CCCCCCCCCC(N)=O)Cc1ccccc1,0.0
46602,CO-ADD:0258698,2.56,n12c(S\C(=C/c(cc3)ccc3OC)\C1=O)nnc2c4ccc(cc4)C,0.0
46603,CO-ADD:0279152,2.56,N1(CC1(C)CCl)S(=O)(=O)c2ccc(cc2)C,0.0
46604,CO-ADD:0259883,2.56,C1(C)(C(OCC)=O)C=C(C(=O)N1c2ccccc2)Nc(cc3)ccc3C(O)=O,0.0
46605,CO-ADD:0259899,2.56,C1(=S)NC(C)(C)CC(OCC)N1,0.0
46606,CO-ADD:0277788,2.56,n1(ccc(C(OC)=O)n1)C(=O)c2ccc(cc2)Cl,0.0
46607,CO-ADD:0257689,2.56,N1(c2ccc(cc2)OCC)C(=O)c(c3C1=O)ccc(c3)C(=O)OC4CC(C)CCC4C(C)C,0.0
46608,CO-ADD:0257249,2.56,n1(nnc(C(OCC)=O)c1CNCc2ccccn2)c3nonc3N,0.0
46609,CO-ADD:0259397,2.56,c1(N(CC)CC)nc(Nc2cc(C)ccc2C)nc(Nc3cc(C)ccc3C)n1.Cl,0.0
46610,CO-ADD:0260053,2.56,C(=N\c1ccccc1C)(/SC(C2=O)CC(=O)Nc(cc3)ccc3C(O)=O)\N2C,0.0
46611,CO-ADD:0260077,2.56,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c4cccc(cccc5)c45)nc(Nc(cc6)ccc6C)n1.Cl,0.0
46612,CO-ADD:0277668,2.56,N1(c2ccc(cc2)OCCCC)C(=O)CC(N(CC3)CCO3)C1=O,0.0
46613,CO-ADD:0164743,2.56,CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O,0.0
46614,CO-ADD:0259314,2.56,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cc3)ccc3[N+](=O)[O-])c4sc(c5c4C#N)CCCC5,0.0
46615,CO-ADD:0257719,2.56,C1(C(OC)=O)C2CCCC1C2c3ccccc3,0.0
46616,CO-ADD:0284779,2.56,C12(\C=C\C=C\c(cc3)ccc3N(C)C)N(CCC(=O)N1)c4c(cc(cc4)C)C2(C)C,0.0
46617,CO-ADD:0215054,2.56,N1(CCO)C(=O)c2c(cc(cc2)Oc(ccc(c3C4=O)C(N4CCO)=O)c3)C1=O,0.0
46618,CO-ADD:0215070,2.56,C1(NC(=O)C\C(\C)=N\NC(COc2cccc(C)c2)=O)C(CC(CC13)CC4C3)C4,0.0
46619,CO-ADD:0290287,2.56,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cc5Br)c(OC)cc5N(CC)CC)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
46620,CO-ADD:0290314,2.56,N12C(S\C(=C\c(cc3OC)cc(c3O)Br)\C1=O)=NC(C)=C(C(C)=O)C2c4c(OC)ccc(cccc5)c45,0.0
46621,CO-ADD:0215648,2.56,C(=O)(C(=O)NCc1ccccc1Cl)Nc2cc(C)ccc2C,0.0
46622,CO-ADD:0217720,2.56,C(OCCCC)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2OCc(cc3)ccc3F,0.0
46623,CO-ADD:0299379,2.56,c1(nc(c2n1Cc(nnc3NC(C)=O)s3)cccc2)c4nonc4NC(C)=O,0.0
46624,CO-ADD:0291696,2.56,n(c1c(n2)cccc1)(c3N)c2c(c(c4cc(I)cc(I)c4OC)c3C#N)C#N,0.0
46625,CO-ADD:0300100,2.56,c1(C2(CCCCC2)Nc(cc3)ccc3NC(C)=O)nnnn1c(cc4)ccc4C(OCC)=O,0.0
46626,CO-ADD:0288871,2.56,c(n1Cc2ccc(Cl)cc2Cl)(ncc1C)Cc(ccc3[N+](=O)[O-])cc3,0.0
46627,CO-ADD:0286880,2.56,C1(=S)NC2(NN1c3ccc(cc3)C)CCC(CC2)C,0.0
46628,CO-ADD:0286888,2.56,n1(Cc2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc5ccccc5)c3,0.0
46629,CO-ADD:0300008,2.56,c1(C(N)=O)oc(c2c1NC(CSc3ccccc3)=O)cccc2,0.0
46630,CO-ADD:0286169,2.56,N1(c2ccccc2)C(c3ccc(c(OC)c3)OCc(cc4)ccc4Cl)N(N=C1C(C)=O)c5ccccc5,0.0
46631,CO-ADD:0278574,2.55,N1(c(ccc(c2s3)nc3SCC(NCCOc4ccccc4)=O)c2)C(=O)c5c(cccc5)C1=O,0.0
46632,CO-ADD:0258592,2.55,C(c1ccccc1)(CC2)(CCN2CC(=O)Nc(cc3)ccc3C(OC)=O)C(OCC)=O,0.0
46633,CO-ADD:0278952,2.55,c1(\N=C\c(cc(Br)c(c2[N+](=O)[O-])O)c2)sc(c3c1C(OCC)=O)CCCC3,0.0
46634,CO-ADD:0258415,2.55,C1(C(=O)N\N=C\c2cccc(O)c2)CC1c3ccccc3,0.0
46635,CO-ADD:0258439,2.55,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)NCCc(cc3)ccc3OC,0.0
46636,CO-ADD:0259167,2.55,N1(Cc2ccccc2)\C(=N\c3ccccc3)\SC=C1c4ccc(cc4)F.Br,0.0
46637,CO-ADD:0258920,2.55,N1(Cc2ccco2)\C(=N\c(cc3)ccc3F)\SC=C1c4ccc(cc4)Cl.Br,0.0
46638,CO-ADD:0260132,2.55,c1(nonc1N)\C(=N/O)\N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])OC,0.0
46639,CO-ADD:0259556,2.55,c1(sc(c2n1)cccc2)NC(=O)c3ccccc3O,0.0
46640,CO-ADD:0259753,2.55,N(CCN1C(=O)c2ccc(cc2)C)(C1c(cc3)ccc3N(C)C)S(=O)(=O)c4ccc(cc4)C,0.0
46641,CO-ADD:0277304,2.55,c1(c2cc(C)ccc2O)cc([nH]n1)c3ccc(cc3)F,0.0
46642,CO-ADD:0215672,2.55,N1(CCO)C(=O)c2c(cc(cc2)Oc(cc3)ccc3[N+](=O)[O-])C1=O,0.0
46643,CO-ADD:0215312,2.55,c1(C#N)c(c2ccccc2)c3c(nc1SCc(cc4)ccc4F)CCCC3,0.0
46644,CO-ADD:0164887,2.55,C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F,0.0
46645,CO-ADD:0164453,2.55,COC1=CC(=O)C[C@@H](C)[C@]11Oc2c(C1=O)c(OC)cc(OC)c2Cl,0.0
46646,CO-ADD:0164477,2.55,CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1,0.0
46647,CO-ADD:0164368,2.55,CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO,0.0
46648,CO-ADD:0164832,2.55,OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12.Cl,0.0
46649,CO-ADD:0257284,2.55,C(C(OC)=O)(C1c2ccc(cc2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
46650,CO-ADD:0288524,2.55,c1(C2CC2)ncc(C)n1CCC(CC3)CCN3.Cl.Cl,0.0
46651,CO-ADD:0288770,2.55,C12(OCCC(C1)CC(NCc3ccncc3)=O)CCN(CC2)C(c(c4)oc([N+](=O)[O-])c4)=O,0.0
46652,CO-ADD:0288012,2.55,c(C(OCC)=O)(c(C)c(c1Cc(c(CCN(CC)CC)c(c2C(OCC)=O)C)[nH]2)CCN(CC)CC)[nH]1,0.0
46653,CO-ADD:0288060,2.55,n(c1c(n2C)ccc(c1)NCc3cccc(OC)c3OC)c2C,0.0
46654,CO-ADD:0291405,2.55,S(=O)(=O)(c1cccc(cccc2)c12)N(CC3)CCN3c4ccc(cc4)F,0.0
46655,CO-ADD:0287165,2.55,c1(SCC(=O)Nc2ccccc2C(F)(F)F)sc3c(ccc(c3)NC(CSc4sc(c5n4)cccc5)=O)n1,0.0
46656,CO-ADD:0288435,2.55,n(Cc(ccc1F)cc1)(c(C)cn2)c2CCN.Cl.Cl,0.0
46657,CO-ADD:0289268,2.55,C(=O)(c1ccc(cc1)OCC(CC2)CCN2)N(CCO3)CC3.Cl,0.0
46658,CO-ADD:0285763,2.55,c12c(c(ccc1)CC3)c3ccc2C(O)=O,0.0
46659,CO-ADD:0285779,2.55,C1(c2cc(Cl)ccc2O)Nc(c3O1)cc(cc3C(C)(C)C)C(C)(C)C,0.0
46660,CO-ADD:0158177,2.55,N#CC1=C(SCCCC(C2=CC=C(F)C=C2)=O)N=C(C3=CC=CS3)C=C1C4=CC=C(Cl)C=C4,0.0
46661,CO-ADD:0158009,2.55,[O-][N+](C(C=C1)=CC=C1C(NC2=CC=C(C=C2)C(C3=CC=C(C(NC(C4=CC=C(C=C4)[N+]([O-])=O)=O)=C3)Cl)=O)=O)=O,0.0
46662,CO-ADD:0257281,2.55,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3C(c4ccccc4)=O)C1=O,0.0
46663,CO-ADD:0257585,2.55,N(=C\c1cccc(O)c1)/NC(CCC(=O)NC2CCCCC2)=O,0.0
46664,CO-ADD:0277800,2.55,C1(C(=O)OCC2CCCCC2)=C(C)NC(=O)NC1c3ccc(cc3)OCCC,0.0
46665,CO-ADD:0277626,2.55,C(C#N)(C(c1ccc(cc1)OCC)CC(N2)=O)=C2SCC(=O)Nc3ccccc3,0.0
46666,CO-ADD:0283595,2.55,N1(c2ccccc2C(OCC)=O)C(=O)C3C(C4C5(CC5)C3C=C4)C1=O,0.0
46667,CO-ADD:0284187,2.55,c1(NC(COC(=O)c2cc(c3o2)cccc3)=O)sc4c(ccc(OC)c4)n1,0.0
46668,CO-ADD:0164594,2.55,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C,0.0
46669,CO-ADD:0164610,2.55,CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1.OC(=O)/C=C\C(=O)O,0.0
46670,CO-ADD:0165028,2.55,NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl,0.0
46671,CO-ADD:0164529,2.55,CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl,0.0
46672,CO-ADD:0164965,2.55,CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12.OC(=O)/C=C/C(=O)O,0.0
46673,CO-ADD:0164963,2.55,NC[C@H]1CC[C@@H](CC1)C(=O)Oc1ccc(CCC(O)=O)cc1.Cl,0.0
46674,CO-ADD:0217952,2.54,C(CCCNc1ccccc1)(NN)=O,0.0
46675,CO-ADD:0218040,2.54,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)SCC(=O)Nc3cccc(Cl)c3,0.0
46676,CO-ADD:0218441,2.54,C(COc1cccc(Br)c1)(=O)N\N=C\c(cc2)ccc2Br,0.0
46677,CO-ADD:0258709,2.54,S1(=O)(=O)c(cccc2)c2C(N(CCO)CCN(C)C)=N1.Cl,0.0
46678,CO-ADD:0258928,2.54,C(C)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc5sccn5)C24,0.0
46679,CO-ADD:0217752,2.54,N(=C\c(cc1)ccc1I)/NC(CCCC(=O)Nc(cc2)ccc2Br)=O,0.0
46680,CO-ADD:0217760,2.54,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(Br)c2)=O)O)c1,0.0
46681,CO-ADD:0289177,2.54,c1(OC)cc(ccc1OC)\C=C\C(C)=O,0.0
46682,CO-ADD:0288522,2.54,n1(CC(CCN2)CC2)c(C)cnc1C(C3)CC3.Cl.Cl,0.0
46683,CO-ADD:0215073,2.54,N(/OC(COc(cc1)ccc1C)=O)=C(/N)\c2ccc(cc2)Br,0.0
46684,CO-ADD:0288755,2.54,c(c1)(n(c(n1)C)C(CC2)CN2C(c3oc([N+](=O)[O-])cc3)=O)C,0.0
46685,CO-ADD:0288579,2.54,C(=O)(OC(C)(C)C)N(CC1c(n2CC3CC3)ncc2C)C1,0.0
46686,CO-ADD:0299671,2.54,N1(c2ccc(cc2)Br)C(=O)\C(=C\c(cc(n3c(cc4)ccc4N(C)C)C)c3C)\C(NC1=S)=O,0.0
46687,CO-ADD:0285426,2.54,C(C(=O)c1ccc(cc1)C)(C2c3ccc(c4c3)OCO4)=C(O)C(N2CCCCCC)=O,0.0
46688,CO-ADD:0289196,2.54,n1c(CCN)n[nH]c1c2ccc(cc2)C.Cl,0.0
46689,CO-ADD:0289063,2.54,c(C(=O)N1CCC(CC1)C(O)=O)(nnc2C(=O)Nc(ccc(OCO3)c34)c4)s2,0.0
46690,CO-ADD:0299184,2.54,N1(c2ccc(c(Cl)c2)C)C(=O)C(CC1=O)NCCc(cc3)ccc3OC,0.0
46691,CO-ADD:0285497,2.54,c1(CC(=O)Nc2ccccc2)c(Sc3ccccc3)c4c(cccc4)n1Cc5ccccc5,0.0
46692,CO-ADD:0289122,2.54,n1c(CCN(C)C(=O)c2ccc(cc2)F)noc1c(cc3)ccc3C(O)=O,0.0
46693,CO-ADD:0158017,2.54,O=C(NC1=CC(C)=CC=C1)C(NCCC2=CC=CC=C2F)=O,0.0
46694,CO-ADD:0159681,2.54,O[C@H]1[C@H](O)[C@@H]([C@@H](O)CO)OC(C[C@@H](C)OP(O)(O)=O)[C@H]1O.CCN(CC)CC,0.0
46695,CO-ADD:0278186,2.54,C(C(OC)=O)(=C1C)\C(=C\c2cccc(Cl)c2)\C(N1CCCOC)=O,0.0
46696,CO-ADD:0159659,2.54,O=C(/C(S/1)=C/C2=C(C)N(C3=CC=C(OC)C=C3)C(C)=C2)NC1=N\C4=CC(O)=CC=C4,0.0
46697,CO-ADD:0277872,2.54,N1(CC1(C)CCl)S(c2ccccc2)(=O)=O,0.0
46698,CO-ADD:0284203,2.54,N1(C\C(\C)=N\NC(=O)C(CC2)CCN2S(c3ccccc3)(=O)=O)C(=O)c4c(cccc4)C1=O,0.0
46699,CO-ADD:0284180,2.54,N(c1sccn1)C(=O)C2CC=CCC2C(=O)OCC(F)(F)C(F)F,0.0
46700,CO-ADD:0259214,2.54,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccccc2OC,0.0
46701,CO-ADD:0215091,2.54,C(=C/NNc(ccc(c1C)C)c1)(/C(=O)NC(N2)=S)\C2=O,0.0
46702,CO-ADD:0215779,2.54,[N+](=O)([O-])c(cc1)ccc1C(=O)NNC(=O)Nc2ccccc2,0.0
46703,CO-ADD:0258767,2.54,c12c(CCCC1=O)c3c(ccc(C(C)(C)C)c3)[nH]2,0.0
46704,CO-ADD:0164935,2.54,COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1.O.Cl,0.0
46705,CO-ADD:0164575,2.54,Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)C[C@@H]1O.O,0.0
46706,CO-ADD:0164623,2.54,CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15.O.O.O.Cl,0.0
46707,CO-ADD:0165010,2.54,CC(=O)N=c1sc(nn1C)S(N)(=O)=O,0.0
46708,CO-ADD:0164482,2.54,NC(=O)c1ncn(n1)C1OC(CO)C(O)C1O,0.0
46709,CO-ADD:0217889,2.54,N(=C\c(cc1)ccc1OC)/NC(CCCNc(cc2)ccc2OC)=O,0.0
46710,CO-ADD:0218009,2.54,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(ccc(n2)C)c2)c3ccccc3Cl,0.0
46711,CO-ADD:0259582,2.54,N1(c(ccc(c2C(O)=O)Cl)c2)C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(/c5ccccc5)\c6ccccc6,0.0
46712,CO-ADD:0288725,2.54,c(c(Cl)ccc1NC(=O)C(N\N=C\c2ccc([N+](=O)[O-])o2)=S)c1,0.0
46713,CO-ADD:0288597,2.54,C(N(CCC1n2c(C)cnc2c(c3)cccc3)C1)(=O)OC(C)(C)C,0.0
46714,CO-ADD:0289057,2.54,c(C(=O)Nc1cccc(Cl)c1)(nnc2C(OCC)=O)s2,0.0
46715,CO-ADD:0215204,2.54,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3[N+](=O)[O-])Cl)c3)nc(Nc4cc(C)ccc4C)n1,0.0
46716,CO-ADD:0215556,2.54,n1c(c(cc2)ccc2c3ccccc3)csc1N\N=C\c4ccc(cc4Cl)Cl,0.0
46717,CO-ADD:0290464,2.54,c12c(no[n+]1[O-])c(no[n+]3[O-])c3c(no[n+]4[O-])c24,0.0
46718,CO-ADD:0215228,2.54,c1(OCC(=O)N\N=C\c(cc2)ccc2O)nonc1N,0.0
46719,CO-ADD:0288515,2.54,n(c(C)cn1)(C2CC2)c1CCN.Cl.Cl,0.0
46720,CO-ADD:0289209,2.53,c1(C(OCC)=O)c(C)c([nH]c1C)CNC2CCCCC2.Cl,0.0
46721,CO-ADD:0286723,2.53,n1(c(cc2)ccc2C(O)=O)nnnc1SCC(=O)N3CCCCC3,0.0
46722,CO-ADD:0286379,2.53,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccccc5OCC)cccc4,0.0
46723,CO-ADD:0286709,2.53,S(=O)(=O)(c1ccc(cc1)NC(CSc2ccccn2)=O)Nc3sccn3,0.0
46724,CO-ADD:0288650,2.53,C(OC(C)(C)C)(=O)N(CC(CC1)Cn2c(C3CCC3)ncc2C)C1,0.0
46725,CO-ADD:0157946,2.53,O=C(N/N=C/C1=C(OCC)C=CC(Br)=C1)C(C)OC2=CC=C(Br)C=C2,0.0
46726,CO-ADD:0278314,2.53,c1(C(=O)NNC(c2ccccc2)=O)nn(cc1Br)C,0.0
46727,CO-ADD:0278338,2.53,N1(c2ccc(cc2Cl)Cl)C(=O)c(c(cc(c3C4=O)C(N4c5ccc(cc5Cl)Cl)=O)C1=O)c3,0.0
46728,CO-ADD:0257558,2.53,C1(N(CC2)CCN2C)=CC(OC13CCCCC3)=O,0.0
46729,CO-ADD:0217411,2.53,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\c3c(Cl)ccc(Cl)c3)o2)Cl)c1,0.0
46730,CO-ADD:0217471,2.53,c12c(cc(OC)c(OC)c1)c(c(C)c(O)c2CC(=O)Nc3ccccc3)NCCc(ccc(c4OC)OC)c4,0.0
46731,CO-ADD:0217279,2.53,C(=O)(N\N=C\c1cccs1)C(=O)NCc2ccco2,0.0
46732,CO-ADD:0217479,2.53,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(cc(I)cc4I)c4O,0.0
46733,CO-ADD:0259145,2.53,C(C#N)(C(=S)NC(=C1CC(=O)c2ccc(cc2)Br)C)=C1C,0.0
46734,CO-ADD:0258472,2.53,N1(c2cccc(F)c2)C(=O)\C(\SC1=S)=C/c3ccco3,0.0
46735,CO-ADD:0259612,2.53,c(OC)(c(OC)c1)c(OC)cc1C(NCCOc2cccc(Oc3ccccc3)c2)=O,0.0
46736,CO-ADD:0258840,2.53,N(=C\c1cccc(OC)c1)/NC(CCCC(=O)NC2CCCCC2)=O,0.0
46737,CO-ADD:0258745,2.53,C(=N/c1ccc(cc1C)C)(/S\C(\C2=O)=C\c(ccc3c4ccccc4[N+](=O)[O-])o3)\N2,0.0
46738,CO-ADD:0259169,2.53,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(cc3)F)\N2CCCO.Br,0.0
46739,CO-ADD:0258825,2.53,c1(c2N)c(sc2C#N)nc(N)c(C#N)c1c3ccccc3,0.0
46740,CO-ADD:0258674,2.53,N(c(cc1)ccc1N(CC2)CCO2)(C3c4ccc(c5c4)OCO5)C(c6ccccc6)=NN3c7ccccc7,0.0
46741,CO-ADD:0165059,2.53,CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.OC(=O)/C=C\C(=O)O,0.0
46742,CO-ADD:0164973,2.53,C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1.O.Cl,0.0
46743,CO-ADD:0217986,2.53,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(COc(cc3)ccc3Cl)=O)o1,0.0
46744,CO-ADD:0278350,2.53,N1(c2c(OC)ccc(C(C)=O)c2)C(=O)C(C(C1=O)C34C=O)C(c(c35)cccc5)c(c46)cccc6,0.0
46745,CO-ADD:0217695,2.53,C1(C(=O)Nc2ccccc2Cl)C3C1CCCC3,0.0
46746,CO-ADD:0215001,2.53,C(=O)(Oc(ccc(c12)cccc1)c2)Nc3cccc(CC)c3,0.0
46747,CO-ADD:0215842,2.53,C(N(CCC)CCC)(=S)Oc(cc1)ccc1C(=O)Nc2cccc(cccc3)c23,0.0
46748,CO-ADD:0287602,2.53,C(/C(OCC)=O)(=N/Nc1ccccc1)\Sc2cccc(cccn3)c23,0.0
46749,CO-ADD:0217277,2.53,N1(CNc(cc2)ccc2C)C(=O)\C(\SC1=O)=C/c3ccc(C)o3,0.0
46750,CO-ADD:0288625,2.53,n(C(C1)CN(C(OC(C)(C)C)=O)C1)(c(cn2)C)c2C,0.0
46751,CO-ADD:0216864,2.53,C(=O)([C@@H]1CCC(=O)N1)N(CC2)CCC2c(o3)c(C)cn3,0.0
46752,CO-ADD:0289249,2.53,C(=O)(c1ccc(CC(CC2)CCN2)cc1)NC3CC3.Cl,0.0
46753,CO-ADD:0288493,2.53,n1(CC2CC2)c(C)cnc1C(CC3)CCN3.Cl.Cl,0.0
46754,CO-ADD:0289273,2.53,c1(CN(c2ccccc2)C(=O)c3ccccc3Cl)nn(c(CCN4)c1C4)C.Cl,0.0
46755,CO-ADD:0288667,2.53,C(=O)(OC(C)(C)C)N(CCCC1c(n(C2CC2)c3C)nc3)C1,0.0
46756,CO-ADD:0290758,2.53,n1(c2c(nn1)cc(Cl)cc2)S(=O)(=O)c3c(OC)ccc(OC)c3,0.0
46757,CO-ADD:0286749,2.53,C(=C\c(cc1)ccc1OCc(cc2)ccc2Br)(/C3=O)\C(c4ccccc4)=NO3,0.0
46758,CO-ADD:0299980,2.53,c1(SC(C(C)=O)C(=O)N(C)C)nnc(c2ccc(cc2)Cl)n1c3ccccc3,0.0
46759,CO-ADD:0284009,2.53,C(C(=O)OC1CCCCC1)(C2c(cc3)ccn3)=C(C)NC(CC(c4ccc(cc4)OC)CC5=O)=C25,0.0
46760,CO-ADD:0259355,2.53,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2ccccc2F,0.0
46761,CO-ADD:0217386,2.52,c1(c(Br)cc(cc1\C=N\NC(=O)c(cccn2)c2)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
46762,CO-ADD:0283112,2.52,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C3CCCCC3)c1CN4CCCCC4,0.0
46763,CO-ADD:0279121,2.52,C1(C(=O)c2ccc(cc2)C)=C(O)C(NC1c(ccc(c34)OCO3)c4)=O,0.0
46764,CO-ADD:0258440,2.52,N1(c2ccccc2)C(=O)CC(N(CCc(cc3)ccc3OC)C(=O)\C=C\C(O)=O)C1=O,0.0
46765,CO-ADD:0259726,2.52,c12c(non1)nc(Nc(cc3)ccc3F)c(N\N=C\c(ccc(c4)N(CC)CC)c4O)n2,0.0
46766,CO-ADD:0258417,2.52,c1(ccc(cc1OC)\C=N\c(ccc(c2I)C)c2)OC(C)=O,0.0
46767,CO-ADD:0258841,2.52,c1(\C=N\NC(CCCC(=O)NC2CCCCC2)=O)c(O)ccc(cccc3)c13,0.0
46768,CO-ADD:0257913,2.52,C1(C(=O)OCC2CCCO2)=C(C)NC(=O)NC1c3ccc(cc3)OCC,0.0
46769,CO-ADD:0257874,2.52,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C\c(cc4)ccc4OCc5ccccc5Cl,0.0
46770,CO-ADD:0166642,2.52,N1(c2ccccc2)C(C(C)=O)CC(c3ccccc3)=N1,0.0
46771,CO-ADD:0166195,2.52,[N+](=O)([O-])c(cc1)cc(c1N2CCCCC2CC)\C=N\NC(=S)Nc3ccccc3,0.0
46772,CO-ADD:0258730,2.52,N1(CN(CC2)CCN2Cc(ccc(c34)OCO3)c4)c(cccc5)c5C(=O)C1=O,0.0
46773,CO-ADD:0166070,2.52,C(=O)(Oc1cccc(c1)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c3ccco3,0.0
46774,CO-ADD:0259211,2.52,c1(OC(N)=C(C2c3ccc(c(Cl)c3)Cl)C#N)c2c(n[nH]1)C,0.0
46775,CO-ADD:0165025,2.52,Nc1nc(O)c2ncn(COCCO)c2n1,0.0
46776,CO-ADD:0165049,2.52,OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F,0.0
46777,CO-ADD:0165057,2.52,CN1CCC[C@H]1c1cccnc1,0.0
46778,CO-ADD:0164478,2.52,CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12,0.0
46779,CO-ADD:0257961,2.52,N1(CC(CC1C(=O)NC2CCCCCC2)O)C(=O)Oc3ccccc3,0.0
46780,CO-ADD:0257785,2.52,N1(N(C)C)\C(=N\c2ccccc2)\S\C(=C\c(ccc(c3OC)OCc4cccc(cccc5)c45)c3)\C1=O,0.0
46781,CO-ADD:0278640,2.52,C(c1c2cccc1)(=CC3=O)c(c(N3C)ccc4Nc5cccc(Cl)c5)c4C2=O,0.0
46782,CO-ADD:0284653,2.52,c1(S2)c(cc(c(OC(=O)Nc3ccccc3)c1Br)Cl)OC2=O,0.0
46783,CO-ADD:0291953,2.52,C1(C(=O)c2ccc(cc2)Br)=C(O)C(NC1c(cccc3[N+](=O)[O-])c3)=O,0.0
46784,CO-ADD:0292081,2.52,N1(CCc(cccc2)c12)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
46785,CO-ADD:0290312,2.52,N12C(S\C(=C\c(cc3)ccc3O)\C1=O)=NC(C)=C(C(C)=O)C2c4c(OC)ccc(cccc5)c45,0.0
46786,CO-ADD:0285987,2.52,C[Si](C(C)(C)C)(C)OCC1C(C[C@H]2C1[C@H]/32)C3=N/NC(C4=CC=NC=C4)=O,0.0
46787,CO-ADD:0289314,2.52,N(CC1)CCC1Cc(ccc2F)cc2.Cl,0.0
46788,CO-ADD:0289337,2.52,n1c(CCNC)noc1COc(ccc(C)c2C)c2.Cl,0.0
46789,CO-ADD:0288831,2.52,c1(cscc1)C(NCC#C)=O,0.0
46790,CO-ADD:0291809,2.52,N1(CCCN(CC2)CCO2)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
46791,CO-ADD:0288702,2.52,N(CCC(C1)CCn(c2C)c(C3CCOCC3)nc2)C1.Cl.Cl,0.0
46792,CO-ADD:0288719,2.52,c(cccc1NC(=O)C(=S)N\N=C\c2ccc([N+](=O)[O-])o2)c1F,0.0
46793,CO-ADD:0290853,2.52,C1(NC(CSc(nnc(c23)c(c4n2C)cc(cc4)Br)n3)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
46794,CO-ADD:0286247,2.52,C(CN(CC1)CCO1)#CC(C)(C)O.CC(=O)O,0.0
46795,CO-ADD:0290954,2.52,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3ccc(cc3)F,0.0
46796,CO-ADD:0217506,2.52,n1c2c(sc1c3ccc(cc3)NC(=O)c4ccc(cc4)Cl)ccc(C)c2,0.0
46797,CO-ADD:0258089,2.52,N12C(S\C(=C\c(cc3Br)c(OC)cc3N(CC)CC)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)ccc4OC,0.0
46798,CO-ADD:0258966,2.52,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5)OC,0.0
46799,CO-ADD:0258959,2.52,C(=C\c(ccc1c2ccc(cc2)Br)o1)(/C3=O)\C(=O)NC(=S)N3,0.0
46800,CO-ADD:0258983,2.52,c1(c(O)c(\C=N\NC(=O)Nc2ccccc2)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
46801,CO-ADD:0258827,2.52,C1(C#N)=C(N)NC(C(C#N)=C1c(cc2OC)cc(c2OC)OC)=S,0.0
46802,CO-ADD:0258851,2.52,N(c1ccc(cc1)OC)(C2=O)C(c3cccc(cccc4)c34)C=C2Nc(cc5)ccc5OC,0.0
46803,CO-ADD:0164698,2.52,CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C,0.0
46804,CO-ADD:0164736,2.52,CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1,0.0
46805,CO-ADD:0284777,2.52,[n+]1(CC2)c(c(ccc1)c3)c(S2)cc3.[Br-],0.0
46806,CO-ADD:0257553,2.52,c1(SCC(=O)Nc2ccccc2C(N)=O)sc3c(ccc(OCC)c3)n1,0.0
46807,CO-ADD:0260064,2.52,N12C(S\C(=C/c(cc3)ccc3OCc4ccc(cc4Cl)Cl)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)c(cc5Br)OC,0.0
46808,CO-ADD:0290767,2.52,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCc(cccc4C(F)(F)F)c4)N3c5ccccc5,0.0
46809,CO-ADD:0290968,2.52,n1(c2c(nn1)cccc2)S(=O)(=O)c3c(Cl)ccc(c3)[N+](=O)[O-],0.0
46810,CO-ADD:0290309,2.52,N12C(S\C(=C\c(cc(OC)c(c3)OCc4ccccc4C#N)c3Br)\C1=O)=NC(C)=C(C(C)=O)C2c5c(OC)ccc(cccc6)c56,0.0
46811,CO-ADD:0291085,2.52,C1(c2ccc(cc2C)C)=C\C(\C(=O)O1)=C/c3cccn3c4ccccc4F,0.0
46812,CO-ADD:0287804,2.52,c1(C2c3ccccc3C(F)(F)F)c(n[nH]c1C(C)(C)C)OC(N)=C2C#N,0.0
46813,CO-ADD:0287164,2.52,c1(cc(ccc1Oc(cc2)ccc2F)NC(COc3ccccc3Cl)=O)C(F)(F)F,0.0
46814,CO-ADD:0217440,2.52,c1(OCC(=O)N\N=C\c(ccc2Br)o2)c(OC)cc(cc1Br)Br,0.0
46815,CO-ADD:0287844,2.52,c1(C2c3ccc(cc3OC)OC)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
46816,CO-ADD:0287884,2.51,C(=N\c(cc1)ccc1F)(/SC(C(=O)N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])CC4=O)\N4CCc5ccccc5,0.0
46817,CO-ADD:0289219,2.51,n1c(CCOc2cccc(C)c2)noc1C(C3)CN3.Cl,0.0
46818,CO-ADD:0288461,2.51,c1(C(CN2)C2)ncc(C)n1Cc(cccn3)c3,0.0
46819,CO-ADD:0286742,2.51,c1(NC(=O)CN2CCCCC2)nnc(SCC(=O)Nc(cc3)ccc3Br)s1,0.0
46820,CO-ADD:0285046,2.51,S1(=O)(=O)c(cccc2)c2C(N(CCC#N)\N=C\c3ccccc3O)=N1,0.0
46821,CO-ADD:0285110,2.51,N1(\N=C(/C)\c2ccc(cc2)OC)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
46822,CO-ADD:0286744,2.51,N(\C(=C/c1ccccc1OCc2ccccc2)\C(O3)=O)=C3c4ccc(cc4)C,0.0
46823,CO-ADD:0284385,2.51,C(=C/c1ccc(C)o1)(/C2=O)\C(c3ccccc3)=NO2,0.0
46824,CO-ADD:0217410,2.51,N(CC1)(CCO1)c2ccc(cc2)C=O,0.0
46825,CO-ADD:0217405,2.51,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCO,0.0
46826,CO-ADD:0260104,2.51,c1(c2c(sc1NC(=O)c3ccccc3F)CCCC2)C(=O)Nc4cccc(C)c4,0.0
46827,CO-ADD:0259024,2.51,c(cc1)ccc1N(C(c2ccccc2Cl)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5)C3=S,0.0
46828,CO-ADD:0257975,2.51,C1(Br)(C(OC)=O)C2CCCC1C2(O)c3ccccc3,0.0
46829,CO-ADD:0217429,2.51,N(\C(=C\c1cccc(cccc2)c12)\C(O3)=O)=C3c(ccc(c45)OCO4)c5,0.0
46830,CO-ADD:0259724,2.51,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(cc4OC)cc(c4OCc5ccc(cc5Cl)Cl)Br)nc(Nc(cc6)ccc6OC)n1,0.0
46831,CO-ADD:0216908,2.51,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c(cccc3[N+](=O)[O-])c3,0.0
46832,CO-ADD:0278458,2.51,C(=N/c(cc1)ccc1F)(/SC=C2c3ccccc3)\N2CCCCCCO.Br,0.0
46833,CO-ADD:0284107,2.51,c(C(OCC)=O)(c(cc(O)c(c1)Br)c1n2Cc3ccccc3)c2CSc4ccccc4,0.0
46834,CO-ADD:0258396,2.51,c1(C(C)=O)ccc(cc1N)C(C)(C)C,0.0
46835,CO-ADD:0157943,2.51,O=C(CCCC)N/N=C/C1=CC=C(C=C1)OCC2=CC=CC=C2Cl,0.0
46836,CO-ADD:0258853,2.51,n1c(c(cc2)ccc2N(C)C)[nH]c(c3ccccc3)c1c4ccc(cc4)Oc5ccccc5,0.0
46837,CO-ADD:0259739,2.51,N1=C(SCC(=O)Nc(cc2)ccc2C(OC)=O)NC(C(c3ccccc3)C1=O)=O,0.0
46838,CO-ADD:0277902,2.51,S(=O)(=O)(c1ccc(cc1)NC(C)=O)\N=C(/NC2)\NCN2C(CC3)CCN3Cc4ccccc4,0.0
46839,CO-ADD:0277742,2.51,n1c(c(cc2)ccc2C#Cc3ccccc3)[nH]c(c4ccccc4)c1c5ccc(cc5)Sc6ccccc6,0.0
46840,CO-ADD:0217969,2.51,C(=O)(N\N=C\c(c1c([nH]2)cccc1)c2)C(=O)Nc(cc3)ccc3CCCC,0.0
46841,CO-ADD:0259713,2.51,N12C(S\C(=C\c3ccc(cc3OC)OC)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
46842,CO-ADD:0258092,2.51,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc5c6cccc(Cl)c6Cl)o5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
46843,CO-ADD:0284167,2.51,N12C(S\C(=C\c3ccccc3O)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)c(cc4Br)OC,0.0
46844,CO-ADD:0284295,2.51,C(/C1)(=C/c2cccc(Br)c2)\C(=O)\C(\CC1C(C)(C)C)=C\c3cccc(Br)c3,0.0
46845,CO-ADD:0278537,2.51,c1(C(=O)OCc2ccccc2)c(C)c(c(C)[nH]1)CC,0.0
46846,CO-ADD:0291175,2.51,c(nc(c1ccc(cc1)C)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(c4ccccc4)Cc5ccccc5,0.0
46847,CO-ADD:0290863,2.51,C1(=NC(C)(C)Cc(cccc2)c23)C3=NNC1=O,0.0
46848,CO-ADD:0216849,2.51,C(=O)(N1CCC(CC1)C)C(=O)N\N=C\c(cc2)ccc2C,0.0
46849,CO-ADD:0287460,2.51,C(C#N)(C(c(cc1)ccc1N(C)C)C2=C(N3c4ccc(cc4F)Br)CCCC2=O)=C3N,0.0
46850,CO-ADD:0299362,2.51,c12c(C(N(C)C(=O)N1C)=O)n(c(Sc3nccn3C)n2)Cc(ccc(c4Cl)Cl)c4,0.0
46851,CO-ADD:0216857,2.51,n1(cnc(c1)n2cc(c3cccc(Cl)c3)nn2)C(C)(C)C,0.0
46852,CO-ADD:0216960,2.51,C(=O)(N\N=C(/C)\CC(=O)Nc1cc(C)ccc1OC)c2cccc(cccc3)c23,0.0
46853,CO-ADD:0217122,2.51,c1(C#N)c(c2ccc(cc2)Cl)c3c(nc1SCC(=O)Nc4c(Br)cc(cc4Br)Br)CCC3,0.0
46854,CO-ADD:0285048,2.5,S1(=O)(=O)c(cccc2)c2C(N(CCC#N)NC(=O)c3ccccc3Br)=N1,0.0
46855,CO-ADD:0290830,2.5,c1(c(Br)cc(c(cccn2)c12)Br)OC(=O)c3cccc(C)c3,0.0
46856,CO-ADD:0283794,2.5,c1(c2ccccc2F)nnc(ccc(cccc3)c34)n14,0.0
46857,CO-ADD:0217418,2.5,C(F)(F)(C(F)(F)COc(cc1)ccc1\N=C\c(cc2)ccc2O)C(F)(F)C(F)F,0.0
46858,CO-ADD:0217442,2.5,C(=N\NC(COc1c(OC)cc(cc1Br)Br)=O)(/c(cccc2C)c2N3)\C3=O,0.0
46859,CO-ADD:0283104,2.5,N1(c2cccc(c2)C(O)=O)C(=O)\C(\C=C1c3ccccc3)=C\c(ccc4c5ccc(cc5)Br)o4.Cl,0.0
46860,CO-ADD:0216822,2.5,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\NC(=O)c3cccc(Br)c3,0.0
46861,CO-ADD:0278858,2.5,C(=O)(Nc(c1)cc(cc1C(O)=O)C(O)=O)c2ccccc2c3ccccc3C(O)=O,0.0
46862,CO-ADD:0258452,2.5,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)F)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
46863,CO-ADD:0158143,2.5,O=C(CCCC1=CC=CC=C1)N/N=C([H])/C2=CC=C(C=C2)OCC3=CC=CC=C3,0.0
46864,CO-ADD:0257677,2.5,S1(=O)(=O)c(cccc2)c2C(NCCNC(c3ccccc3)=O)=N1,0.0
46865,CO-ADD:0257886,2.5,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N(CC2)CCN2C(c3ccccc3)c4ccccc4,0.0
46866,CO-ADD:0257304,2.5,N(/c1ccccc1C#N)=C\c(ccc(c2)N(CC)CC)c2O,0.0
46867,CO-ADD:0158183,2.5,N#CC(C(C(C(Cl)=CC=C1)=C1F)C(C2=O)=C(C=C(C)O2)O3)=C3N,0.0
46869,CO-ADD:0215716,2.5,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c2cccc(CC=C)c2OC)[N+](=O)[O-],0.0
46870,CO-ADD:0166580,2.5,C1(C(=O)N\N=C(/C)\c2cccc(N)c2)CC1c3ccccc3,0.0
46871,CO-ADD:0164724,2.5,CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,0.0
46872,CO-ADD:0164762,2.5,CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,0.0
46873,CO-ADD:0164807,2.5,CCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO,0.0
46874,CO-ADD:0164442,2.5,COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1,0.0
46875,CO-ADD:0164850,2.5,Nc1c2CCCc2nc2CCCCc12,0.0
46876,CO-ADD:0277769,2.5,n1(c2ccc(cc2)Br)c(c3ccccc3)c(cc1c4ccccc4)\C=C(\C5=O)/C(=O)NC(=O)N5,0.0
46877,CO-ADD:0277891,2.5,S(=O)(=O)(c1ccc(cc1)C)N2CCc3c2cc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
46878,CO-ADD:0259964,2.5,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)O1)=C\c(ccc3c(cccc4C(F)(F)F)c4)o3,0.0
46879,CO-ADD:0299886,2.5,N(\C(=C\c1ccc(cc1Cl)Cl)\C(O2)=O)=C2c3cccc(OC)c3,0.0
46880,CO-ADD:0300054,2.5,S(=O)(=O)(Nc(ccc(c12)c3c(cccc3)o1)c2)c(ccc4c5c6c(o4)cccc6)c5,0.0
46881,CO-ADD:0285802,2.5,c12c(cc(C(C)(C)C)cc1C(C)(C)C)NC(c3ccc(c(OC)c3)OC)O2,0.0
46882,CO-ADD:0292063,2.5,N1(c2ccccc2)C(=O)\C(\SC1=S)=C\C=C(/S3)\N(C)CC3,0.0
46883,CO-ADD:0286589,2.5,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(cc3)F)c4c(C)nn(c5ccccc5)c4O,0.0
46884,CO-ADD:0158000,2.5,O=C(N/N=C/C1=CC=CC=C1)C2=CC=C(OCCCC)C=C2,0.0
46885,CO-ADD:0291088,2.5,n1(Cc2ccccc2)c(S)nnc1c3ccc(c(OC)c3)OC,0.0
46886,CO-ADD:0158248,2.5,O=C(C(C=C1)=CC=C1Cl)N/N=C(C)/C2=CC(OC)=C(OC)C=C2,0.0
46887,CO-ADD:0158264,2.5,O=C(N/N=C/C(C=CC=C1)=C1OCCCCC)C2=C(O)C=CC(Br)=C2,0.0
46888,CO-ADD:0216913,2.5,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c3ccccc3OC,0.0
46889,CO-ADD:0287461,2.5,C(C#N)(C(c1cccs1)C2=C(N3c4ccc(cc4F)Br)CCCC2=O)=C3N,0.0
46890,CO-ADD:0216945,2.5,C(=O)(N\N=C\c(cc1)ccc1OC)C(NCCC)=O,0.0
46891,CO-ADD:0287703,2.5,S(=O)(=O)(c(cc1)ccc1N2CCCC2)c(cc3)ccc3N4CCCC4,0.0
46892,CO-ADD:0217053,2.5,C(CSCc1ccccc1C)(=O)N\N=C\c2ccccc2Cl,0.0
46893,CO-ADD:0217305,2.5,n1c(ccc(c2)\N=C\c(c(O)ccc3[N+](=O)[O-])c3)c2oc1c(cc4)ccc4C(C)(C)C,0.0
46894,CO-ADD:0291762,2.5,c1(NC(C)=O)cc(nn1c2ccccc2)c3cccc(Br)c3,0.0
46895,CO-ADD:0285222,2.5,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3OCC)\N2CC)N4CCCC4.Br,0.0
46896,CO-ADD:0299840,2.5,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c3cccc(cccc4)c34)\C1=O)=O,0.0
46897,CO-ADD:0286315,2.49,c1(c2c(sc1NC(=O)C(C)Oc3cccc(Cl)c3)CCCC2)C(=O)Nc(cc4)ccc4OC,0.0
46898,CO-ADD:0291423,2.49,S(=O)(=O)(c1cccc(C)c1)Nc(cccc2c3cn4c(cccc4)n3)c2,0.0
46899,CO-ADD:0291135,2.49,N(c1ncccn1)(C2c3ccccc3F)C(=O)C(=C2C(c4ccccc4)=O)O,0.0
46900,CO-ADD:0291984,2.49,c1(ccc(cc1OC)OC)C(=O)Nc(cccn2)c2,0.0
46901,CO-ADD:0217590,2.49,n1c(c2ccccc2)c(cn1c3ccccc3)C=O,0.0
46902,CO-ADD:0283036,2.49,C1(C)(CC(C)(C)NC(SC)=N1)c2ccc(cc2O)O.Cl,0.0
46903,CO-ADD:0284029,2.49,c(c1c(n2Cc3ccccc3F)cccc1)(c2)C4Nc(ccc(c56)cccc5)c6C(CC(C)(C)CC7=O)=C47,0.0
46904,CO-ADD:0277773,2.49,n1(c2ccc(cc2)Br)c(c3ccccc3)c(cc1c4ccccc4)\C=C(\C5=O)/C(=O)NC(=S)N5,0.0
46905,CO-ADD:0277917,2.49,c1(coc(ccc(OC(C)=O)c2)c12)C(=O)c3cccs3,0.0
46906,CO-ADD:0216878,2.49,C([C@H](NC(=O)C)CCO1)[C@H]1c(c(c2)Cl)ccc2Cl,0.0
46907,CO-ADD:0257592,2.49,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(=C\c(ccc3c4ccc(cc4)Br)o3)\C(N(c5ccccc5)C1=S)=O,0.0
46908,CO-ADD:0259702,2.49,C(=O)(NNC(=O)C(C)Oc1ccc(cc1Cl)Cl)c2cnccn2,0.0
46909,CO-ADD:0259895,2.49,N1(c2ccccc2)\C(=N\N=C(\C3)/CCCCCC3)\SC(CC(O)=O)C1=O,0.0
46910,CO-ADD:0158282,2.49,O=C(NC1=CC=C(Br)C=C1)CCCC(N/N=C/C2=CC=CC=C2)=O,0.0
46911,CO-ADD:0259920,2.49,c1(Sc2ccc(\C=N\NC(COc3cccc(cccc4)c34)=O)o2)nnc(c5ccccc5)n1c6ccccc6,0.0
46912,CO-ADD:0278664,2.49,S(=O)(=O)(c1ccc(cc1)NC(OC)=O)Nc(ccc(c2C)O)c2,0.0
46913,CO-ADD:0258805,2.49,C(C1=O)(C23Br)C(C(N1c(cc4)ccc4C(=O)OCC(C)C)=O)C(c(cccc5)c25)(c6c3cccc6)Br,0.0
46914,CO-ADD:0277920,2.49,c1(NC(CCl)=O)nnc(SCC(=O)Nc2c(Br)cc(cn2)Br)s1,0.0
46915,CO-ADD:0278097,2.49,c1([nH]c(c2n1)cccc2)SC(NC(CCCCC)=O)C(Cl)(Cl)Cl,0.0
46916,CO-ADD:0277937,2.49,S(=O)(=O)(c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)C)Nc3nnc(CC)s3,0.0
46917,CO-ADD:0259362,2.49,C(C#N)(=C(N)SC(=C1C#N)N)C1c2cccc(cccc3)c23,0.0
46918,CO-ADD:0258342,2.49,n1(Cc2ccccc2F)c3c(nc1SC)cccc3,0.0
46919,CO-ADD:0164513,2.49,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O[N+](=O)[O-],0.0
46920,CO-ADD:0164874,2.49,CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(C)=O,0.0
46921,CO-ADD:0164448,2.49,CN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl,0.0
46922,CO-ADD:0278787,2.49,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(cc4OC)cc(c4O)Cl)\C1=O,0.0
46923,CO-ADD:0259272,2.49,S(N)(=O)(=O)c1ccc(cc1)NC(CSc(nnc2NC(CCl)=O)s2)=O,0.0
46924,CO-ADD:0258979,2.49,C1(C(=O)CC(CC1=O)(C)C)C(c2ccc(cc2)Cl)C3C(=O)CC(CC3=O)(C)C,0.0
46925,CO-ADD:0291784,2.49,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc4c5cc(Cl)ccc5Cl)o4)\C1=O)=NC(C)=C2C(C)=O,0.0
46926,CO-ADD:0285035,2.49,S(=O)(OC(C1(c2ccccc2)c3ccccc3)C)O1,0.0
46927,CO-ADD:0285043,2.49,c(c(C)on1)(c1c2ccccc2)C(=O)N(CC3)CCN3c4ccc(cc4[N+](=O)[O-])Cl,0.0
46928,CO-ADD:0285083,2.49,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(cc3OCC)cc(c3O)I,0.0
46929,CO-ADD:0158296,2.49,[O-][N+](C1=C(OC)C=CC(C(O/N=C(CCC2)\C3=C2C=CC(OC)=C3)=O)=C1)=O,0.0
46930,CO-ADD:0154570,2.49,O=C(C1=CC=CC(N(C)C)=C1)C2=CC(N(C)C)=CC=C2,0.0
46931,CO-ADD:0290313,2.49,N12C(S\C(=C\c(ccc(c3OCC)O)c3)\C1=O)=NC(C)=C(C(C)=O)C2c4c(OC)ccc(cccc5)c45,0.0
46932,CO-ADD:0291075,2.49,c1(SC(C(C)=O)C(OCC)=O)nnc(c2ccc(cc2)Cl)n1c3ccccc3,0.0
46933,CO-ADD:0154561,2.49,ClCCCCN1CCCCC1.Cl,0.0
46934,CO-ADD:0217319,2.49,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2ccccc2C)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
46935,CO-ADD:0217158,2.49,C(C(OCCOC)=O)(C1c(cccn2)c2)=C(N)OC(CCCC3=O)=C13,0.0
46936,CO-ADD:0217174,2.49,c1(ccccc1Br)C(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
46937,CO-ADD:0217190,2.49,C(F)(F)(F)C(NCCCCCC(=O)Nc1ccccc1)=O,0.0
46938,CO-ADD:0217318,2.49,c(Nc1ccccc1)(nc(N\N=C(/C)\c2ccc(cc2)Cl)nc3Nc(cc4)ccc4OC)n3,0.0
46939,CO-ADD:0217179,2.48,C(/O)(\c1ccc(cc1)Cl)=C/C=N/c2cccc(O)c2,0.0
46940,CO-ADD:0291914,2.48,n1(c2C)c(ncc2C(OCC)=O)cc(c3cccc(Br)c3)n1,0.0
46941,CO-ADD:0288857,2.48,C(CCC(=O)NCC#C)CCCCCCCC,0.0
46942,CO-ADD:0289319,2.48,n1(CC(C)=O)c(C)cc(C)n1,0.0
46943,CO-ADD:0292017,2.48,n(c1ccc(c(C)c1)I)(c2C)c(C)cc2\C=C(\NC(N3)=S)/C3=O,0.0
46944,CO-ADD:0291945,2.48,c1(NC(C)=O)cc(nn1c2ccccc2)c3ccc(cc3)Cl,0.0
46945,CO-ADD:0292066,2.48,N1(CC)C(=O)\C(\SC1=S)=C/C=C/C=C/Nc2ccccc2,0.0
46946,CO-ADD:0217270,2.48,c1(cc(ccc1N(CC)CC)\C=N\NC(=O)c2c(O)cc(c3c2)cccc3)[N+](=O)[O-],0.0
46947,CO-ADD:0257316,2.48,C1(C(OCCSC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)Br)=O,0.0
46948,CO-ADD:0217627,2.48,C(COc1ccccc1Br)(=O)N\N=C\c2ccccc2OCc3cccc(OC)c3,0.0
46949,CO-ADD:0283413,2.48,N1(CN2CCC(CC2)C)N=C(OC1=S)c3ccc(cc3)C,0.0
46950,CO-ADD:0216834,2.48,C(=O)(N\N=C\c(ccc(c1OCC)OCc(cc2)ccc2Cl)c1)C(NCCOC)=O,0.0
46951,CO-ADD:0216866,2.48,n1(cc(n2nnc(c3ccccc3)c2)nc1)S(C)(=O)=O,0.0
46952,CO-ADD:0259656,2.48,c1(C(OC)=O)nc(oc1N2CCCCC2)c3ccccc3,0.0
46953,CO-ADD:0258987,2.48,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3ccc(c(OC)c3[N+](=O)[O-])O,0.0
46954,CO-ADD:0257824,2.48,C(=C\c1cc(Cl)cc(Cl)c1OCc2ccccc2)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
46955,CO-ADD:0259647,2.48,C(/C#N)(=C/c(cc1)ccc1Br)\C(=O)Nc(cc2)ccc2Cl,0.0
46956,CO-ADD:0258845,2.48,N(c1ccccc1)(CC2)CCN2CCC(=O)Nc(cc3)ccc3OC.Cl,0.0
46957,CO-ADD:0278163,2.48,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(cc3)ccc3N(CC)CC)\C1=O)C,0.0
46958,CO-ADD:0278145,2.48,C1(C(OCC)=O)=C(CSc2nnc(SCC(NC(N3)=O)=C3C(OCC)=O)s2)NC(=O)N1,0.0
46959,CO-ADD:0277770,2.48,C(=C\c(cc(n1c2ccc(cc2)Br)c3ccccc3)c1c4ccccc4)(/C(=O)N5c6ccccc6)\C(=O)N(C5=S)c7ccccc7,0.0
46960,CO-ADD:0258670,2.48,C1(\N=C\c(ccc2Sc3sc4c(ccc(OCC)c4)n3)o2)=C(C)N(N(c5ccccc5)C1=O)C,0.0
46961,CO-ADD:0259160,2.48,S(=O)(=O)(NC1CCCC1)c(cccc2S(=O)(=O)c3ccc(cc3)Cl)c2,0.0
46962,CO-ADD:0259297,2.48,n1(nnc(C(OCC)=O)c1CNCC(O)c2ccccc2)c3nonc3N,0.0
46963,CO-ADD:0259321,2.48,N1(C=C(C)C(NC1=O)=O)C2OC(C(OC(=O)c3ccc(cc3)C)C2OC(=O)c4ccc(cc4)C)COC(=O)c5ccc(cc5)C,0.0
46964,CO-ADD:0215781,2.48,[C@@]1(C)(CC2)C(CC[C@]1(O)C(C)=O)C(C23)CC=C(CCC45OCCO4)[C@]3(C)C5,0.0
46965,CO-ADD:0291840,2.48,c1(cnc(NC(COc(cc2)ccc2Br)=O)s1)S(=O)(=O)c(cc3)ccc3[N+](=O)[O-],0.0
46966,CO-ADD:0291568,2.48,c1(C(NC)=O)c2c(oc1c3ccccc3)ccc(OC)c2,0.0
46967,CO-ADD:0291866,2.48,C1([N+](=O)[O-])=C(Nc(cc2)ccc2N(C)C)c3c(cccc3)OC1=O,0.0
46968,CO-ADD:0291602,2.48,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Oc(ccc(c4C)Cl)c4)cc5[N+](=O)[O-])c5)c1Cl,0.0
46969,CO-ADD:0291483,2.48,n12c(nc(cc1C(F)(F)F)c(ccc(c3Cl)Cl)c3)cc(C(=O)Nc(cc(Oc4ccc(cc4C5CCCCC5)Cl)cc6[N+](=O)[O-])c6)n2,0.0
46970,CO-ADD:0291853,2.48,C(/SC(N1CCCC)=S)(=C(\C=Cc(c23)cc(cc2)C)/N3CC)\C1=O,0.0
46971,CO-ADD:0286980,2.48,c1(C(=O)N(CC2)CCO2)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
46972,CO-ADD:0286604,2.48,c1(C2c(ccc(c34)OCO3)c4)c(CCN2C(=O)c5cccs5)c6c(cccc6)[nH]1,0.0
46973,CO-ADD:0292161,2.48,N(c1c(cc(OCC)cc1)C(=C23)C(SS2)=S)(C3(C)C)S(=O)(=O)c4ccc(cc4)C,0.0
46974,CO-ADD:0287608,2.48,C(C#N)(C(c1ccc(cc1)OC)C2=C(N3c4ccc(cc4OC)OC)CC(C)(C)CC2=O)=C3N,0.0
46975,CO-ADD:0287233,2.48,c(C(O)=O)(c(CCC(OC)=O)c(c1C(OCC)=O)C)[nH]1,0.0
46976,CO-ADD:0287265,2.48,C(/C1=O)(\C(=O)c2c1cccc2)=C(/S\C(\C3=O)=C\C=C(/C4(C)C)\N(CC)c(c45)ccc(c6ccccc6)c5)\N3CC,0.0
46977,CO-ADD:0284992,2.47,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4cc(OC)c(cc4OC)OC)cccc3,0.0
46978,CO-ADD:0299922,2.47,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(ccc(c3Cl)Cl)c3)C2c4cccs4,0.0
46979,CO-ADD:0286170,2.47,N1(c2ccc(c(Cl)c2)Cl)C(c3ccccc3OCc4c(cccc4Cl)Cl)N(N=C1C(C)=O)c5ccccc5,0.0
46980,CO-ADD:0287950,2.47,c1(OC(N)=C(C2c(ccc(c3CSc4ccccn4)OC)c3)C#N)c2c([nH]n1)C,0.0
46981,CO-ADD:0299307,2.47,c1(nonc1N)\C(\N)=N\OC(=O)Nc2cccc(Cl)c2,0.0
46982,CO-ADD:0293462,2.47,C(/c(cc(C)cc1C)c12)(\C(=S)C(N2C(C(C)C)=O)(C)C)=C(/S3)\SC(=C3C(OCC)=O)C(OCC)=O,0.0
46983,CO-ADD:0293449,2.47,C(C(F)(F)F)(C(F)(F)F)(NC(C(C)C)=O)Nc1sc(c2c1C(OC)=O)CCCC2,0.0
46984,CO-ADD:0292486,2.47,C12(N(CC3)CCO3)C(CCCC1)Oc(c(c4)O2)c5c(c4N(CC6)CCO6)cccc5,0.0
46985,CO-ADD:0292478,2.47,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c(cc2OC)cc(c2OC(C)=O)OC,0.0
46986,CO-ADD:0293727,2.47,c(c1c(CCCC1)c(n2)c3ccccc3)(c4N)c2sc4C#N,0.0
46987,CO-ADD:0294727,2.47,C(=N\c(cc1)ccc1OC(F)(F)Cl)(/SC(C(O)=O)CC2=O)\N2C,0.0
46988,CO-ADD:0292260,2.47,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c4cccc(c4)OCc(ccc(c5Cl)Cl)c5)\C1=O,0.0
46989,CO-ADD:0293795,2.47,c1(C2=O)c(scc1c3cccc(OC)c3)N=C(S)N2c4ccccc4,0.0
46990,CO-ADD:0296070,2.47,c12c(CCNC1c3ccc(cc3)C#N)cc(c(OC)c2)OC,0.0
46991,CO-ADD:0292282,2.47,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)N5CCc(cccc6)c56)c3)nnc1c7ccccc7,0.0
46992,CO-ADD:0292631,2.47,C1(SC(=C2C(OC)=O)C(OC)=O)(S2)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)c4c(Cl)c5c(cccc5)s4)(C)C)=C1c6c3cccc6,0.0
46993,CO-ADD:0294543,2.47,n1(c(c2ccccc2)c(n3)c4ccccc4)c3nc(C)c(C)n1,0.0
46994,CO-ADD:0291885,2.47,C(/C(CCC1)=O)(\C1=O)=C/Nc2cc(on2)C,0.0
46995,CO-ADD:0299810,2.47,N1(c2c(OC)ccc(OC)c2)C(=O)NC(\C(=C/c3ccc(C)s3)\C1=O)=O,0.0
46996,CO-ADD:0299365,2.47,n1c(c2ccccc2)nnn1CC(=O)Nc3ccc(cc3C)C,0.0
46997,CO-ADD:0288944,2.47,n12c(c3c(Oc(cc4[N+](=O)[O-])c1nc4)cccc3)cc(CN5CCCC5)n2,0.0
46998,CO-ADD:0299433,2.47,N1(c(cc2)ccc2C(=O)Nc3cccc(C)c3)C(=O)c4c(cccc4)C1=O,0.0
46999,CO-ADD:0287625,2.47,[N+](=O)([O-])c(ccc(n1)NC(CSc2nnc(C)s2)=O)c1,0.0
47000,CO-ADD:0287353,2.47,N1(C2c3ccc(cc3)OC)C(S\C(=C/c(cc4)ccc4O)\C1=O)=NC(c5ccccc5)=C2C(OCC)=O,0.0
47001,CO-ADD:0287657,2.47,C1(C#N)(C=C(C)NC2c3ccccc3)C2(C#N)C(=NC1(SCC)SCC)N,0.0
47002,CO-ADD:0287401,2.47,N1(C2c3cccc(OC)c3)C(S\C(=C/c4ccco4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
47003,CO-ADD:0287923,2.47,C1(c(c(C(=O)c(cccc2)c12)ccc3)c3N(C4=O)C)=C4N5CCCCC5,0.0
47004,CO-ADD:0287947,2.47,C1(CC2)(CCN2C(OCC)=O)C(C#N)=C(N)Oc3c1c(CCC)n[nH]3,0.0
47005,CO-ADD:0286765,2.47,n12c(S\C(=C/c3ccc(cc3Cl)Cl)\C1=O)nnc2c4ccccc4,0.0
47006,CO-ADD:0291275,2.47,n1(c(c2ccccc2)c(n3)c4ccccc4)c3sc(C(c(cccc5)c5C6=O)=O)c16,0.0
47007,CO-ADD:0299256,2.47,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCc3cccs3,0.0
47008,CO-ADD:0286176,2.47,C1(=O)NCCSC1CC(=O)Nc(cc2)ccc2OC,0.0
47009,CO-ADD:0293225,2.47,N1c(ccc(c23)cccc2)c3C4C(CC=C4)C1c5ccccc5F,0.0
47010,CO-ADD:0293750,2.47,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5)cc(c5OC(C)=O)OC)cccc4,0.0
47011,CO-ADD:0294826,2.47,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2F)N(CC3)CCO3,0.0
47012,CO-ADD:0294752,2.47,n1(c2ccccc2)c(S)nnc1Cc(cc3)ccc3OC(C)C,0.0
47013,CO-ADD:0294369,2.47,n1c2c(oc1c(cc3)ccn3)ccc(c2)NC(Cc4ccccc4)=O,0.0
47014,CO-ADD:0293012,2.47,c1(sc(cc1C(OCC)=O)CC)NC(=O)c2cc(ccc2N(CC3)CCN3CC)[N+](=O)[O-],0.0
47015,CO-ADD:0293902,2.47,C(c1ccccc1)(c2ccccc2)(NC(CCl)=O)C(O)=O,0.0
47016,CO-ADD:0292731,2.47,N(CCC(N1)=O)(C(C)=O)c2c1cccc2,0.0
47017,CO-ADD:0294888,2.47,n1c(c2ccccc2)cc(N)n1c3ccccc3,0.0
47018,CO-ADD:0294865,2.46,N1(c2ccc(cc2)Cl)C(=O)\C(=C\C=C\c3ccco3)\C(NC1=S)=O,0.0
47019,CO-ADD:0295906,2.46,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3cc(OC)c(cc3OC)OC,0.0
47020,CO-ADD:0287846,2.46,C1(N2CCC(CC2)C(N)=O)=CC(C(CO3)OC13)N(CC4)CCC4C(N)=O,0.0
47021,CO-ADD:0291886,2.46,C(C(C)=O)(C1c2ccccc2F)=C(O)C(N1c3ccc(cc3)O)=O,0.0
47022,CO-ADD:0287145,2.46,S(=O)(=O)(Nc1c(Cl)cc(c(Cl)c1)Cl)c2ccccc2Cl,0.0
47023,CO-ADD:0285818,2.46,c12c(ccc(Cl)c1)N=C(OC2=O)COc(cc3)ccc3C(C)(C)C,0.0
47024,CO-ADD:0291567,2.46,C1(=Cc2c(OC1=O)cccc2)c3sc(c4n3)cccc4,0.0
47025,CO-ADD:0287307,2.46,C1(C2c3ccc(cc3)OC)=C(CC(c4ccc(cc4)Cl)CC1=O)NC(C)=C2C#N,0.0
47026,CO-ADD:0287252,2.46,C(=S)(N(CC1)CCN1c2ccccc2F)NC(=O)c3ccc(cc3)Br,0.0
47027,CO-ADD:0287262,2.46,c1(C#N)c(c2ccc(cc2)OCc3ccccc3)c4c(nc1SCC(=O)c5ccc(c(O)c5)O)CCCC4,0.0
47028,CO-ADD:0299456,2.46,c1(cc(ccc1N(CC2)CCN2CCOc3nonc3c4ccccc4)C(F)(F)F)[N+](=O)[O-],0.0
47029,CO-ADD:0286155,2.46,n12c(S\C(=C\c(c3)c(N4CCCCC4)cc(N5CCCCC5)c3[N+](=O)[O-])\C1=O)nc(cc(C)c(C)c6)c26,0.0
47030,CO-ADD:0287291,2.46,N(\C(=C/c1ccccc1OCc2ccccc2)\C(O3)=O)=C3c(cc4)ccc4C(C)(C)C,0.0
47031,CO-ADD:0299518,2.46,C1(F)(F)Oc(c2O1)ccc(c2)\N=C\c3cc(Br)cc(OC)c3O,0.0
47032,CO-ADD:0287018,2.46,C1(=O)N(c2cccc(F)c2)C(C)=CC(C)=C1C(N)=O,0.0
47033,CO-ADD:0290536,2.46,N1(c2ccccc2)C(=O)CC(N(Cc(cc3)ccc3OC)C(=O)c4cccc(F)c4)C1=O,0.0
47034,CO-ADD:0294048,2.46,C(/C(=O)c1ccc(cc1)F)(=N\Nc2ccccc2)\C(=O)C(=O)N(CC3)CCO3,0.0
47035,CO-ADD:0292294,2.46,c12c(C(N(C)C(=O)N1C)=O)n(c(Cl)n2)CC(=O)N3CCCCC3,0.0
47036,CO-ADD:0294956,2.46,N1(c(ccc(c2s3)nc3SCC(=O)NC4CC4)c2)C(=O)c(c5C1=O)ccc(c5)[N+](=O)[O-],0.0
47037,CO-ADD:0295634,2.46,c(c1c2ccccc2)(C3c4ccc(cc4)SC)c([nH]n1)OC(N)=C3C#N,0.0
47038,CO-ADD:0292526,2.46,N1(Cc2ccccc2)C(=O)CCN(C=O)c(cccc3)c13,0.0
47039,CO-ADD:0295806,2.46,c1(NC(N)=S)sc(c2c1C#N)CCCC2,0.0
47040,CO-ADD:0293073,2.46,n1(C(=O)\C=C\c(cc2)ccc2F)cc(cn1)Br,0.0
47041,CO-ADD:0295523,2.46,c1(cc(ccc1N(CC2)CCC2C(OCC)=O)[N+](=O)[O-])C(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
47042,CO-ADD:0295519,2.46,[N+](=O)([O-])c(cccc1C2SCC(C(O)=O)N2)c1,0.0
47043,CO-ADD:0294262,2.46,c1(ccc(\C=C\C(=O)Nc2ccccc2C(OC)=O)o1)[N+](=O)[O-],0.0
47044,CO-ADD:0296065,2.46,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)Cl)=C(O)C(N2Cc(cccn4)c4)=O,0.0
47045,CO-ADD:0295545,2.46,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c4ccc(cc4F)F)o3,0.0
47046,CO-ADD:0292012,2.46,N1(C(=O)c2ccc(cc2)Cl)C(O)(c3ccc(cc3)CCCCC)CC(C(F)(F)F)=N1,0.0
47047,CO-ADD:0291932,2.46,n1c2c(oc1c(cccc3NC(=O)c(cc4OC)cc(c4OC)OC)c3)cccn2,0.0
47048,CO-ADD:0290445,2.46,N1(c2ccccc2OC)C(=O)C=CC1=O,0.0
47049,CO-ADD:0290486,2.46,c1(S(CCC)(=O)=O)c2n(c(C(c3ccccc3)=O)c1S(CCC)(=O)=O)cccc2N,0.0
47050,CO-ADD:0290734,2.46,S(=O)(=O)(Oc1ccccn1)c2c(OC)ccc(OC)c2,0.0
47051,CO-ADD:0290558,2.46,c(C(O)=O)(c1c2cccc1)c3c(n2)CCCCCCCCCC3,0.0
47052,CO-ADD:0291878,2.46,N1(CC(OC)=O)c(cccc2)c2\C(=C(/C#N)\C#N)\C1=O,0.0
47053,CO-ADD:0285612,2.46,c1(SC)nc(c2n1CC(=O)Nc3ccccc3C(OC)=O)cccc2,0.0
47054,CO-ADD:0285830,2.46,S(=O)(=O)(N(CCCC1C(=O)N(CC)CC)C1)c2cc(ccc2N3CCCCCC3)[N+](=O)[O-],0.0
47055,CO-ADD:0285023,2.46,c1(c2c(O)ccc(c2)[N+](=O)[O-])[nH]c(c(c3ccc(cc3)Cl)n1)c4ccccc4,0.0
47056,CO-ADD:0285839,2.46,N1(N)C(SC)=NN(CC(=O)N(c2c3cccc2)c4c(S3)cccc4)C1=S,0.0
47057,CO-ADD:0285663,2.46,c12n(ncn1N)c(nn2)SCC(=O)Nc3nnc(SCC(=O)N(c4c5cccc4)c6c(S5)cccc6)s3,0.0
47058,CO-ADD:0289264,2.46,S(=O)(=O)(c1ccc(cc1)F)N2CCC(CCN)CC2.Cl,0.0
47059,CO-ADD:0299332,2.46,N1(c2ccccc2)C(=O)c(c(cc(c3[N+](=O)[O-])Br)C1=O)c3,0.0
47060,CO-ADD:0286473,2.46,c1(SCc(cc2)ccc2Cl)nc(C)cc(C)n1,0.0
47061,CO-ADD:0286138,2.46,n1(Cc2ccccc2)c(COc3ccccc3C)nnc1SCC(O)=O,0.0
47062,CO-ADD:0286899,2.46,C12(c(cccc3)c3C(c4ccc(cc4)Br)(c5ccc(cc5)Br)S1)N(c6cccc(Cl)c6)N=C(C(OCC)=O)S2,0.0
47063,CO-ADD:0286852,2.46,c1(NC(=O)C(C)(C)C)sc(c(CCN2C(OCC)=O)c1C(OCC)=O)C2,0.0
47064,CO-ADD:0285524,2.46,N1(C2CCCCCCC2)C(=O)c3c(cc(cc3)F)C1=O,0.0
47065,CO-ADD:0286703,2.46,c(c(C)c(s1)C)(C2=O)c1NC(=O)N2c3ccccc3,0.0
47066,CO-ADD:0286367,2.46,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3C)\N2C)N4CCCC4.Br,0.0
47067,CO-ADD:0299782,2.46,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c(cc3)ccc3N(CC)CC)\C1=O)=O,0.0
47068,CO-ADD:0299752,2.46,n1(c2ccccc2)c(COc3cccc(Br)c3)nnc1S,0.0
47069,CO-ADD:0299792,2.46,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c(cc3OC)cc(c3O)OC)\C1=O)=O,0.0
47070,CO-ADD:0294531,2.46,c1(cc(ccc1N2CCCCCC2)[N+](=O)[O-])C(=O)c3ccc(cc3)Cl,0.0
47071,CO-ADD:0293020,2.46,c12c(n(c(Sc3nc(C)cc(COC)c3C#N)n1)C)C(N(C)C(=O)N2C)=O,0.0
47072,CO-ADD:0296163,2.46,C(=O)(Nc1cccc(C)c1)c2cccc(cccc3)c23,0.0
47073,CO-ADD:0295691,2.46,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc(cc(OCC(F)(F)F)cc3[N+](=O)[O-])c3,0.0
47074,CO-ADD:0295611,2.46,C1(NC(=O)C(C)Oc2c(F)c(F)cc(F)c2F)=C(C)N(N(c3ccccc3)C1=O)C,0.0
47075,CO-ADD:0292712,2.45,C12(c(cccc3)c3C(c4ccc(cc4)Br)(c5ccc(cc5)Br)S1)SC(=NN2c6ccccc6C)C(C)=O,0.0
47076,CO-ADD:0293928,2.45,C(/c1c2cccc1)(\c(cccn3)c23)=C(/C=C(O4)c5ccccc5)\C4=O,0.0
47077,CO-ADD:0296058,2.45,N(CN(CC1)CCC1C(N)=O)(N=C(N2c3ccccc3)c4ccccc4)C2=S,0.0
47078,CO-ADD:0295845,2.45,c1(cc(ccc1N(CC2)CCO2)C(OC)=O)[N+](=O)[O-],0.0
47079,CO-ADD:0295365,2.45,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccc(cc3)OC(=O)c4ccco4,0.0
47080,CO-ADD:0292989,2.45,C(=O)(N\N=C\c1cccs1)C(=O)Nc(ccc(c2Cl)Cl)c2,0.0
47081,CO-ADD:0294098,2.45,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(cc3)C)=C(O)C(N2CCCC)=O,0.0
47082,CO-ADD:0285146,2.45,N1(C)\C(=N/C)\S\C(=C\c(ccc2c3cccc(Cl)c3C)o2)\C1=O,0.0
47083,CO-ADD:0299930,2.45,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cccc(C)c2C)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
47084,CO-ADD:0288007,2.45,c1(SC)sc2c(ccc(c2)NC(C3CCCCC3)=O)n1,0.0
47085,CO-ADD:0286200,2.45,C(C#N)(C(c1ccccc1OC)C(C#N)C(N2)=O)=C2SCC(N)=O,0.0
47086,CO-ADD:0290770,2.45,C(=S)(NC(C)=O)N(C(C)=O)\N=C\c1ccccc1,0.0
47087,CO-ADD:0290890,2.45,n1(c2ccccc2)c(S)nnc1Cc(cccc3C(F)(F)F)c3,0.0
47088,CO-ADD:0285633,2.45,N1(c2ccc(cc2Br)Br)C(=O)CC(N(CC3)CCN3Cc4ccccc4)C1=O,0.0
47089,CO-ADD:0288751,2.45,c(C)(c1)n(c(C2CCCO2)n1)CC(CCN3C(c(c4)oc([N+](=O)[O-])c4)=O)CC3,0.0
47090,CO-ADD:0288919,2.45,n12c(cc(CC)n1)c3c(Oc4c2ccc(c4)C(OC)=O)cccc3,0.0
47091,CO-ADD:0287775,2.45,c1(c2c(n(C)c1)cccc2)C(C(Cl)(Cl)Cl)NS(=O)(=O)c3ccc(cc3)Cl,0.0
47092,CO-ADD:0291409,2.45,n1(cnc(cc(C)c(C)c2)c12)C(=O)c3cccc(C)c3,0.0
47093,CO-ADD:0287721,2.45,n1c(c2ccc(c(C)c2)C)csc1N\N=C(\C)/c3ccc(Cl)s3.Br,0.0
47094,CO-ADD:0290884,2.45,n1(C)c(c2ccccc2)nnc1Sc3ccc(cc3C(F)(F)F)[N+](=O)[O-],0.0
47095,CO-ADD:0287264,2.45,c1(C(=O)c2ccc(c(Cl)c2)Cl)sc3c(c(C)cc(C)n3)c1N,0.0
47096,CO-ADD:0286343,2.45,C(=O)(c1cccc(c1)C#Cc2ccccc2)N(CC3)CCN3C(c4ccccc4)c5ccccc5,0.0
47097,CO-ADD:0286736,2.45,C(/SC(N1CC)=S)(\C1=O)=C(\Sc(c23)ccc(Cl)c2)/N3C4CCCCC4,0.0
47098,CO-ADD:0299314,2.45,N1(C(c2ccccc2)CC(C)=N1)C(=S)Nc3ccccc3,0.0
47099,CO-ADD:0289022,2.45,c1(C(=O)Nc2ccccc2C)sc(nn1)CCCC(O)=O,0.0
47100,CO-ADD:0287194,2.45,C1(c(c(C(=O)c(cccc2)c12)ccc3)c3N(C4=O)C)=C4c5ccccc5,0.0
47101,CO-ADD:0286818,2.45,c1(NC(=O)c(cccc2C(F)(F)F)c2)sc(c3c1C(OC)=O)CCCCCC3,0.0
47102,CO-ADD:0285494,2.45,c1(ccnn1C)C(=O)NNC(=O)c2ccc(cc2)CSc3nccn3C,0.0
47103,CO-ADD:0285398,2.45,C(C(C)=O)(C1c2ccc(c(OC)c2)OC)=C(O)C(N1c(cccn3)c3)=O,0.0
47104,CO-ADD:0285514,2.45,S(=O)(=O)(c(cc1)ccc1C(C)=O)N(CC2)CCN2C,0.0
47105,CO-ADD:0293107,2.45,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5cccc(Oc6ccccc6)c5)cccc4,0.0
47106,CO-ADD:0293078,2.45,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc4c2c(C)n[nH]4,0.0
47107,CO-ADD:0292983,2.44,C1(C(OC)=O)=C(C)Nc(c(ccc2C(F)(F)F)S1)c2,0.0
47108,CO-ADD:0295989,2.44,C12(OC(C(C(N3c(ccc(c4C(F)(F)F)Cl)c4)=O)C1C3=O)c5ccc(cc5)Cl)C(=O)c6c(cccc6)C2=O,0.0
47109,CO-ADD:0292801,2.44,c1(C(=O)N(CC2)CCN2Cc3ccccc3)c4c(sc1NC(=O)c5cccc(C)c5)CC(C)CC4,0.0
47110,CO-ADD:0296045,2.44,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(C)c4)c5ccccc5,0.0
47111,CO-ADD:0293831,2.44,c1(C2=O)c(scc1c3ccc(cc3)OC)N=C(S)N2c4ccccc4,0.0
47112,CO-ADD:0293813,2.44,n1c(cc2)c(cc(CCCC)c1Cl)cc2C(O)=O,0.0
47113,CO-ADD:0295704,2.44,c(cnn1C(CCc2ccccc2)=O)(c1)[N+](=O)[O-],0.0
47114,CO-ADD:0295261,2.44,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccccc3)C2c4ccc(c(OC)c4)O,0.0
47115,CO-ADD:0293481,2.44,S(=O)(=O)(c1ccc(c2c1)cccc2)n3c(C)cc(C)n3,0.0
47116,CO-ADD:0292571,2.44,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCc(cc4)ccc4OC(F)(F)C(F)F)N3c5ccccc5,0.0
47117,CO-ADD:0291326,2.44,c1(SCC(=O)NC2CC2)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
47118,CO-ADD:0285188,2.44,n(c(c1ccc2[N+](=O)[O-])c2)c(c3ccc(cc3)F)c(n1)c4ccc(cc4)F,0.0
47119,CO-ADD:0290689,2.44,c(c1)(c(N(C)C)cc(OCC)c1[N+](=O)[O-])[N+](=O)[O-],0.0
47120,CO-ADD:0290546,2.44,C(=C/c(ccc1c2ccccc2F)o1)(/C3=O)\C(=O)NC(=S)N3,0.0
47121,CO-ADD:0285206,2.44,N1(Cc2ccccc2)\C(=N\c(cc3)ccc3OC)\SC=C1c4ccc(cc4)CC.Br,0.0
47122,CO-ADD:0285651,2.44,c1(c(N)ccc(non2)c12)[N+](=O)[O-],0.0
47123,CO-ADD:0285683,2.44,c1(NC(CSc2ccccc2)=O)sc(c3c1C(OCC)=O)CCC3,0.0
47124,CO-ADD:0291560,2.44,C(/C1)(=C/c(cc2)ccc2C)\C(=O)\C(\C1)=C\c(cc3)ccc3C,0.0
47125,CO-ADD:0284993,2.44,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(c(Cl)c4)Cl)cccc3,0.0
47126,CO-ADD:0285698,2.44,N1(C)\C(=N/C)\S\C(=C\c2cc(OCO3)c3cc2[N+](=O)[O-])\C1=O,0.0
47127,CO-ADD:0299301,2.44,N1(Cc(cc2)ccc2OC)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
47128,CO-ADD:0286876,2.44,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc(cc5)ccc5C(OC)=O)c3,0.0
47129,CO-ADD:0286094,2.44,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)S\C(\NCc3ccccc3)=N/c(cc4)ccc4Cl,0.0
47130,CO-ADD:0285528,2.44,N1(c2ccc(cc2Br)Br)C(=O)CC(N(CC3)CCC3C(OCC)=O)C1=O,0.0
47131,CO-ADD:0287576,2.44,c1(SCc(cc2OC)c(OC)cc2CSc3sc(c4n3)cccc4)sc(c5n1)cccc5,0.0
47132,CO-ADD:0285065,2.44,C(C(=O)c1ccc(cc1)Br)(C2c3cccc(OC)c3)=C(O)C(N2CC=C)=O,0.0
47133,CO-ADD:0299411,2.44,n1(c2ccc(cc2)Cl)cnnn1,0.0
47134,CO-ADD:0299950,2.44,C(C#N)(C(c1ccccc1OCC)C(C#N)C(N2)=O)=C2SCC,0.0
47135,CO-ADD:0285308,2.44,c1(C(=O)NC(=N2)c3ccc(cc3)Cl)c2c4c(cccc4)o1,0.0
47136,CO-ADD:0293156,2.44,N1(C2c3cccc(OC)c3)C(S\C(=C/c(ccc(c4)N(CC)CC)c4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
47137,CO-ADD:0296159,2.44,[N+](=O)([O-])c1ccc(cc1)N\N=C\c2ccccc2O,0.0
47138,CO-ADD:0294575,2.44,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1NCCNc(cc2)c3c(c2[N+](=O)[O-])cccn3,0.0
47139,CO-ADD:0292964,2.44,N1(OC(C)=O)C(C)(C)CC(CC1(C)C)NC(C)=O,0.0
47140,CO-ADD:0292569,2.44,n12c(cc(c3ccc(cc3)Cl)n1)nc(cc2C(F)(F)F)c4ccccc4,0.0
47141,CO-ADD:0295043,2.44,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc(c(Cl)c4)ncc4C(F)(F)F)n2,0.0
47142,CO-ADD:0295683,2.44,C1(C(C)=O)=C(Nc(cc2)ccc2OC)CC(C)(O)C(C(C)=O)C1c(cccc3[N+](=O)[O-])c3,0.0
47143,CO-ADD:0294683,2.44,N1(C(CC2(C)C)CC(N2)(C)C)C(C)(O)C(OC1=O)(C)C,0.0
47144,CO-ADD:0295979,2.44,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccco1)Nc2sc(c(CC)c2C#N)C,0.0
47145,CO-ADD:0293747,2.44,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)CC1c3ccccc3C(F)(F)F,0.0
47146,CO-ADD:0292346,2.44,n(c1c2ccc(OC)c1)c(O)c(n2)O,0.0
47147,CO-ADD:0295799,2.44,C1(c2ccccc2)(OC(C)=O)CCN(C(C)C1C)C.Cl,0.0
47148,CO-ADD:0290547,2.44,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c4cc(Cl)ccc4OCc5ccccc5Cl)\C1=O,0.0
47149,CO-ADD:0285184,2.44,c1(c(C)oc(c2ccccc2)c1)C(=O)N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-],0.0
47150,CO-ADD:0285208,2.44,c(cn(n1)c2ccccc2)(c1c3ccc(cc3)Cl)C4SCC(=O)N4Cc5ccccc5,0.0
47151,CO-ADD:0290460,2.44,c12c(nnc(S)n1)c(c3n2C(C)C)cccc3,0.0
47152,CO-ADD:0285154,2.44,n1c(c2ccc(cc2)C#N)[nH]c(c3cccc(I)c3)c1c4cccc(I)c4,0.0
47153,CO-ADD:0285178,2.43,c(C(NCCNc1ccc(cc1[N+](=O)[O-])Cl)=O)(c(C)on2)c2c3ccccc3,0.0
47154,CO-ADD:0285003,2.43,c1(s2)c(c(c2C3)CCN3Cc4ccccc4)c(nc(SCC)n1)N,0.0
47155,CO-ADD:0285803,2.43,N1\C(=N\N=C\c(ccc(c2OCC)OCc(cc3)ccc3F)c2)\SCC1=O,0.0
47156,CO-ADD:0285006,2.43,c1(SCC(=O)c(cc2)ccc2C(=O)CSc3c(ccc(CC(C)C)n3)C#N)c(ccc(CC(C)C)n1)C#N,0.0
47157,CO-ADD:0287785,2.43,C(c1c2cccc1)(=C(N)C3=O)c(c(N3)c(C)cc4Br)c4C2=O,0.0
47158,CO-ADD:0291637,2.43,c1(c2c([nH]c1)cccc2)C(c3ccccc3)C[N+](=O)[O-],0.0
47159,CO-ADD:0285592,2.43,C12c(cccc3)c3C(C(C)C1C(=O)Nc4c(C)cc(cc4C)C)c5c2cccc5,0.0
47160,CO-ADD:0299583,2.43,c1(c2)c(cc(OC)c2NC(CCc(c3c([nH]4)cccc3)c4)=O)c5c(cccc5)o1,0.0
47161,CO-ADD:0286081,2.43,C12(O)C(=NNC(=S)N1)c(c3N2C(C)=O)cc(cc3)C,0.0
47162,CO-ADD:0299777,2.43,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(ccc(c3OC)OC)c3OC)\C1=O)=O,0.0
47163,CO-ADD:0299801,2.43,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(ccc(c3OC)OC)c3)\C1=O)=O,0.0
47164,CO-ADD:0286301,2.43,c1(c2c(sc1N)CCC2)C(=O)Nc3cccc(Cl)c3,0.0
47165,CO-ADD:0286202,2.43,c1(nncs1)NC(=O)c2ccc(cc2)COc(cc3)ccc3OC,0.0
47166,CO-ADD:0294374,2.43,c1(c(ccc(c2NC(=O)c3cc(c4o3)cccc4)C)c2)oc5c(ccc(C)c5)n1,0.0
47167,CO-ADD:0294831,2.43,C(/C(=O)C(C)(C)C)=C(\NCc1ccccc1)/C(=O)NCc2ccccc2,0.0
47168,CO-ADD:0294324,2.43,C(C(OC)=O)(C1c(ccs2)c2)=C(C)N(C(C)=C1C(OC)=O)C,0.0
47169,CO-ADD:0294781,2.43,c1(NC(C)=O)nonc1C(OC)=O,0.0
47170,CO-ADD:0295737,2.43,C(=O)(Nc(cc1)ccc1CC#N)c2cccs2,0.0
47171,CO-ADD:0294866,2.43,N1(c2ccc(cc2)OC)C(=O)\C(=C\C=C\c3ccccc3[N+](=O)[O-])\C(NC1=S)=O,0.0
47172,CO-ADD:0295907,2.43,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccc(cc3)O,0.0
47173,CO-ADD:0293876,2.43,o(c(Cc1cccc(cccc2)c12)nn3)c3S,0.0
47174,CO-ADD:0295752,2.43,c1(NC(CCc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3C,0.0
47175,CO-ADD:0292749,2.43,N1(C2c3c(cccc3)Oc(cccc4)c24)N=C(N(c5ccccc5)C1=S)COc6ccccc6,0.0
47176,CO-ADD:0293348,2.43,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cccc(O)c5)cccc4,0.0
47177,CO-ADD:0295553,2.43,[C-]([N+](=O)[O-])([N+](=O)[O-])[n+]1cccc(C)c1,0.0
47178,CO-ADD:0295507,2.43,O(c1c(cccc1C=O)OC)C(=O)c(ccc(c23)OCO2)c3,0.0
47179,CO-ADD:0295279,2.43,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccc(cc2)Br)N3CCCCC3,0.0
47180,CO-ADD:0293237,2.43,N12c(c3C4C(CC=C4)C1)c(C5C(CC=C5)C2c6ccccc6F)c7c(cccc7)c3,0.0
47181,CO-ADD:0287136,2.43,c1(C(OCC)=O)c(C)[nH]c(C(OC)=O)c1CCC(OC)=O,0.0
47182,CO-ADD:0290672,2.43,S(=O)(=O)(c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])c1N2C(OC)=O)C2C(OC)=O,0.0
47183,CO-ADD:0290520,2.43,N(CN(CC1)CCC12OCCO2)(N=C(N3C)c4ccccc4Cl)C3=S,0.0
47184,CO-ADD:0290400,2.43,N(C1c2ccc(cc2)F)(C(=O)C(=C1C(c3ccccc3)=O)O)c4sc5c(ccc(Br)c5)n4,0.0
47185,CO-ADD:0287818,2.43,C1(C2c3ccc(c(OCc4ccccc4)c3)OC)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
47186,CO-ADD:0287858,2.43,N1(c2ccc(c3c2)OCO3)C(=O)\C(\SC1=N)=C/c4cc(Br)ccc4OC,0.0
47187,CO-ADD:0285283,2.43,N1(CNc(cccc2C(F)(F)F)c2)N=C(OC1=S)c3ccc(cc3)C,0.0
47188,CO-ADD:0285644,2.43,n1(c(ccc2C(F)(F)F)nnc1c3cccc(I)c3)c2,0.0
47189,CO-ADD:0284973,2.43,C(C(=O)OCC(C)C)(C1c(cc2)ccc2N(CC)CC)=C(C)NC(CC(c3ccc(cc3)OC)CC4=O)=C14,0.0
47190,CO-ADD:0286698,2.43,c1(c2c(s3)CCC2)c3ncnc1NC4CCCCC4,0.0
47191,CO-ADD:0286418,2.43,C(/Sc(c12)cccc1)(\N2C)=C(/N=C(S3)SCC)\C3=O,0.0
47192,CO-ADD:0286426,2.43,c1(cnn2c3ccc(cc3)C)c2cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
47193,CO-ADD:0299617,2.43,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CN(CC3)CCO3,0.0
47194,CO-ADD:0286906,2.43,c12c(nnc(SCC(=O)N(c3c4cccc3)c5c(S4)cccc5)n1)c(c6n2C)cc(cc6)Br,0.0
47195,CO-ADD:0290656,2.43,c1(NC(CCCSc2nc(C)cc(n2)C(F)(F)F)=O)sc(c3c1C(N)=O)CCCCCC3,0.0
47196,CO-ADD:0285062,2.43,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)S\C(\NCCc3ccccc3)=N/c4cccc(Cl)c4,0.0
47197,CO-ADD:0285343,2.43,c(c1c(cc2)ccc2[N+](=O)[O-])(c(nc(c(c3C4=O)cccc3)c14)sc5C(N)=O)c5N,0.0
47198,CO-ADD:0285087,2.43,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3c(C)cc(c(C)c3)C,0.0
47199,CO-ADD:0295200,2.42,c12c(C(N(C)C(=O)N1C)=O)n(c(N3)n2)CC(=N3)c(cc4)ccc4[N+](=O)[O-],0.0
47200,CO-ADD:0295171,2.42,c1(SC(C)C(=O)c2ccc(cc2)OC)[nH]c(c3n1)cc(c(C)c3)C,0.0
47201,CO-ADD:0294391,2.42,c1(cc(ccc1N(CC2)CCN2c(cc3)c4c(c3[N+](=O)[O-])cccn4)C(F)(F)F)[N+](=O)[O-],0.0
47202,CO-ADD:0294802,2.42,n1(c2ccccc2OC)c(ccc(c3)NC(=O)c4ccc(cc4)C)c3nc1,0.0
47203,CO-ADD:0295186,2.42,C(C(OCC)=O)(C(c(cccc1[N+](=O)[O-])c1)N2)=C(C)N(C2=O)CCO,0.0
47204,CO-ADD:0294065,2.42,n(c(cc1c(c2)cccc1)c23)c(c4ccccc4)c(n3)c(cc5)ccc5C(=O)c6ccc(cc6)F,0.0
47205,CO-ADD:0295685,2.42,C1(C(C)=O)=C(Nc(cc2)ccc2OC)CC(C)(O)C(C(C)=O)C1c3ccc(c4c3)OCO4,0.0
47206,CO-ADD:0292514,2.42,c(cc1)ccc1C(=O)Cn2c3c(nc2S)cccc3,0.0
47207,CO-ADD:0296101,2.42,n1c(N2CCCCC2)nc(nc1N3CCCCC3)C#N,0.0
47208,CO-ADD:0292575,2.42,C1(c2ccc(cc2)Cl)(CC(=O)N(CC3)CCO3)C(=O)c(c4C1=O)cccc4,0.0
47209,CO-ADD:0292211,2.42,c12c(non1)nc(Nc3cccc(C)c3C)c(Nc4ccccc4C)n2,0.0
47210,CO-ADD:0293456,2.42,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccs1)Nc2sc(c3c2C#N)CCCC3,0.0
47211,CO-ADD:0295520,2.42,N1C(CSC1c2cccc(cccc3)c23)C(O)=O,0.0
47212,CO-ADD:0294434,2.42,C(C(OCCCC)=O)(C1c2ccccn2)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
47213,CO-ADD:0295861,2.42,c1(O2)c(c(n[nH]1)COC)C(C(C#N)=C2N)c3ccc(cc3)CC,0.0
47214,CO-ADD:0292718,2.42,C1(S2)(SC(=C2C(OCC)=O)C(OCC)=O)C(C(OCC)=O)=C(C(OCC)=O)SC(C(N3C(=O)CC(C)C)(C)C)=C1c4c3cccc4,0.0
47215,CO-ADD:0294873,2.42,N1(c2ccc(cc2)OC)C(=O)\C(=C\c(cc3OC)cc(c3O)OC)\C(NC1=S)=O,0.0
47216,CO-ADD:0295073,2.42,N1(CCN(C(CC)=O)C1c2ccc(cc2)OC)S(=O)(=O)c3ccc(cc3)C,0.0
47217,CO-ADD:0290378,2.42,C(C(c1ccccc1)=O)(C2c3ccc(cc3)C)=C(O)C(N2c(cccc4C(F)(F)F)c4)=O,0.0
47218,CO-ADD:0287874,2.42,n12c(S\C(=C\c(ccc3c(cccc4C(O)=O)c4)o3)\C1=O)nc(c5ccccc5)c2c6ccccc6,0.0
47219,CO-ADD:0287474,2.42,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2Cl)C(=O)Nc(cc3)ccc3F,0.0
47220,CO-ADD:0287143,2.42,N(c1c(Cl)cc(c(Cl)c1)Cl)(S(=O)(=O)c2ccc(cc2)C)S(=O)(=O)c3ccc(cc3)C,0.0
47221,CO-ADD:0287871,2.42,c1(n(CC(=O)N1c2ccccc2F)c(c34)C(=O)N(C(=O)N3C)C)n4,0.0
47222,CO-ADD:0287207,2.42,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(ccc5c(cc6)ccc6C(OCC)=O)o5)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
47223,CO-ADD:0299234,2.42,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3Cc(cc4)ccc4Cl)C1=O,0.0
47224,CO-ADD:0286123,2.42,n1(C)cnnc1SCC(=O)c2ccc(cc2)C,0.0
47225,CO-ADD:0291925,2.42,n1(CC)c2c(c(cc(C=O)cc3)c13)cccc2,0.0
47226,CO-ADD:0286515,2.42,N1(C(=O)C=CN=C1S)C(C(c2ccccc2)=O)NC(c3ccccc3)=O,0.0
47227,CO-ADD:0286531,2.42,c1(c2c(cccc2F)Cl)noc(C)c1C(=O)NCC3COc(c4O3)cccc4,0.0
47228,CO-ADD:0299331,2.42,c12c(nnc(SCC(=O)Nc3sc(c(CCN4C)c3C(OCC)=O)C4)n1)c5c(cccc5)n2CC,0.0
47229,CO-ADD:0285095,2.42,C1(c2ccccc2)=C(C1C(=O)Nc(c(C)ccc3[N+](=O)[O-])c3)c4ccccc4,0.0
47230,CO-ADD:0285399,2.42,S(c1ccccc1)(=O)(=O)NC(C)(c2ccccc2)CN(CC3)CCN3,0.0
47231,CO-ADD:0286181,2.42,c1(cc(n2)c3ccc(cc3)C)n2c(cc(c4ccccc4)n1)C,0.0
47232,CO-ADD:0286369,2.42,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c3cccc(Cl)c3)\N2CCCO)N4CCCCC4.Br,0.0
47233,CO-ADD:0287989,2.42,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c(ccs5)c5)cccc4,0.0
47234,CO-ADD:0286387,2.42,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(cc5)ccc5C(F)(F)F)cccc4,0.0
47235,CO-ADD:0293850,2.42,c1(cn(nc1C)C)[N+](=O)[O-],0.0
47236,CO-ADD:0294411,2.42,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)NC4=C(C)N(N(c5ccccc5)C4=O)C)c1Cl,0.0
47237,CO-ADD:0293766,2.42,C1(C(C)=O)=C(C)N=C(SCC=C)NC1c2ccccc2.Br,0.0
47238,CO-ADD:0292695,2.42,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCc(cc5)ccc5[N+](=O)[O-])c3)nnc1c6ccccc6,0.0
47239,CO-ADD:0294529,2.42,n1c(c2ccccc2)csc1c3scc(c4ccccc4)n3,0.0
47240,CO-ADD:0293387,2.42,c12c(C(N(C)C(=O)N1C)=O)n(c(Cl)n2)Cc(cc3)ccn3,0.0
47241,CO-ADD:0293496,2.42,c1(c2c3cccc2)c(CC(CBr)O1)c(n3)C,0.0
47242,CO-ADD:0295960,2.42,C1(C2CC(C=C2)N1C(CC)=O)(C(F)(F)F)C(F)(F)F,0.0
47243,CO-ADD:0293090,2.42,c1(cc(F)c(cc1N(CC2)CCN2C(CC)=O)N3CCCC3)[N+](=O)[O-],0.0
47244,CO-ADD:0293909,2.42,C(=C/C(=O)c1ccc(cc1)Cl)(/C2=O)\Nc(c(ccc3[N+](=O)[O-])O2)c3,0.0
47245,CO-ADD:0293805,2.42,O(c1c2cccc1)c(cc3C#N)c(O2)cc3C#N,0.0
47246,CO-ADD:0295471,2.42,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cccc(Oc6ccccc6)c5)cccc4,0.0
47247,CO-ADD:0292208,2.41,C(=C\c(ccc1c(cc2)c(OC)cc2[N+](=O)[O-])o1)(/C(C)=NN3c4ccc(cc4)Br)\C3=O,0.0
47248,CO-ADD:0292476,2.41,N(CCN1C(C)=O)(C1C(C)C)S(=O)(=O)c(ccc(c2[N+](=O)[O-])C)c2,0.0
47249,CO-ADD:0293396,2.41,C1(N2)=C(C(C3=C2c4c(C3=O)cccc4)c5ccc(cc5Cl)Cl)C(NC(=O)N1C)=O,0.0
47250,CO-ADD:0296134,2.41,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(=O)c4ccc(cc4)Cl,0.0
47251,CO-ADD:0293994,2.41,c12c(n(c(NCCCNc3ccc(cc3[N+](=O)[O-])Cl)n1)C)C(N(C)C(=O)N2C)=O,0.0
47252,CO-ADD:0291217,2.41,n1c2c(oc1c3ccccc3)ccc(c2)NC(=O)c(cc4)ccc4C(C)(C)C,0.0
47253,CO-ADD:0291033,2.41,S(=O)(=O)(Oc1cccc(ccc(C)n2)c12)c3c(OC)ccc(I)c3,0.0
47254,CO-ADD:0291146,2.41,c(c1c2ccccc2)(C3c(cc4OC)cc(c4O)OC)c([nH]n1)OC(N)=C3C#N,0.0
47255,CO-ADD:0291170,2.41,C(C(c1ccccc1)=O)(C2c3ccc(cc3OC)OC)=C(O)C(N2Cc4ccccc4)=O,0.0
47256,CO-ADD:0286951,2.41,c1(C(=O)Oc2cccc(c2)\C=N\NC(N)=S)c(Cl)c3c(cccc3)s1,0.0
47257,CO-ADD:0291019,2.41,S(=O)(=O)(c1ccc(c(C)c1)Cl)N(CC2)CCN2Cc3ccccc3,0.0
47258,CO-ADD:0291078,2.41,N1(c2ccc(cc2)Cl)C3(CCC(CC3)C(C)(C)C)Nc(c4C1=O)cccc4,0.0
47259,CO-ADD:0291282,2.41,n12c(S\C(=C/c(ccc3c4ccc(cc4)F)o3)\C1=O)nc(c5ccccc5)c2c6ccccc6,0.0
47260,CO-ADD:0299454,2.41,[N+](=O)([O-])c1ccc(cc1NC(C)C23C[C@]4([H])C[C@](C[C@](C4)([H])C2)([H])C3)N(CC5)CCN5,0.0
47261,CO-ADD:0299318,2.41,c(OC(=O)C=C1C)(c1c2)c(I)c(c23)occ3c4ccccc4,0.0
47262,CO-ADD:0299228,2.41,N1(c2ccc(cc2)I)C(=O)CC(N3CCC(CC3)O)C1=O,0.0
47263,CO-ADD:0286445,2.41,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c4ccco4)nc(Nc(cc5)ccc5C)n1.Cl,0.0
47264,CO-ADD:0286694,2.41,N1(Cc2ccccc2)C(=O)CSC1c(cc3)ccc3C(=O)NC4CC4,0.0
47265,CO-ADD:0286415,2.41,N(CCCC1(CCCN2Cc3ccccc3)C2)(Cc4ccccc4)C1.Cl.Cl,0.0
47266,CO-ADD:0287700,2.41,N(c1ccccc1F)C(=O)\C=C\c2ccc(cc2Cl)Cl,0.0
47267,CO-ADD:0286353,2.41,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)OCC(=O)Nc(cccc2C(F)(F)F)c2,0.0
47268,CO-ADD:0285563,2.41,c1(nnc(SCC(=O)N(c2ccccc2)c3ccccc3)s1)NS(C)(=O)=O,0.0
47270,CO-ADD:0293949,2.41,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)F)=C(O)C(N2CCN(CC)CC)=O,0.0
47271,CO-ADD:0292453,2.41,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C/C=C\c(ccc5[N+](=O)[O-])o5)\C6=O)N36)N(C(=O)N1C)C,0.0
47272,CO-ADD:0292419,2.41,c(n[nH]c1S(C)(=O)=O)([N+](=O)[O-])n1,0.0
47273,CO-ADD:0293375,2.41,N1(c2ccc(cc2)OC(F)(F)F)C(=O)CC(N(C)CCc(ccc(c3OC)OC)c3)C1=O,0.0
47274,CO-ADD:0294038,2.41,S(NCCSc1sc(c2n1)cccc2)(=O)(=O)c(cccc3[N+](=O)[O-])c3,0.0
47275,CO-ADD:0292867,2.41,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc(cc2)ccc2C(=O)N3CCCCC3)Cl,0.0
47276,CO-ADD:0292853,2.41,n1(nnc(C(=O)N\N=C/c(c2)c(C)n(n2)C)c1CN3CCCc(cccc4)c34)c5nonc5N,0.0
47277,CO-ADD:0295238,2.41,c1(C(OCC)=O)[nH]c(c(Br)c1C)C,0.0
47278,CO-ADD:0295268,2.41,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccco1)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
47279,CO-ADD:0295314,2.41,N1(c2ccc(cc2)C)C(=O)\C(=C\NCCC3=CCCCC3)\C(NC1=O)=O,0.0
47280,CO-ADD:0293968,2.41,C12(C#N)C(C)C(NC1=O)(O)CC(c3ccc(cc3)OC)C2(C#N)C#N,0.0
47281,CO-ADD:0294805,2.41,n1(c2ccc(cc2)OC)c(ccc(c3)Nc4c5c(cccc5)c(nn4)C)c3nc1,0.0
47282,CO-ADD:0293999,2.41,c12c(n(c(NCCOCCO)n1)C)C(N(C)C(=O)N2C)=O,0.0
47283,CO-ADD:0292254,2.41,N1(C)\C(=N/C)\S\C(=C\c(cc2OC)cc(c2OC(C)=O)Br)\C1=O,0.0
47284,CO-ADD:0295508,2.41,N1(C(C)(C)CC(CC1(C)C)OC(C)=O)OC(=O)c2ccc(cc2)N.Cl,0.0
47285,CO-ADD:0293918,2.41,c1(OC)c(OC)cc(cc1OC)NC(C)=O,0.0
47286,CO-ADD:0292308,2.41,N1(c2ccccc2C)C(=O)NC(\C(=C/c3ccc(C)s3)\C1=O)=O,0.0
47287,CO-ADD:0290870,2.4,C1(CCCCC1)(C(=O)OC(C2(C)C)c3ccc(cc3)Br)C2=O,0.0
47288,CO-ADD:0291319,2.4,N1(NC(=O)c2cccc(c2)NC(C)=O)C(=O)c(c3C1=O)cccc3,0.0
47289,CO-ADD:0299323,2.4,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c3ccc(cc3)O,0.0
47290,CO-ADD:0299493,2.4,n1(c2ccccc2Cl)c(c3ccc(cc3)Cl)cc(c4ccc(cc4)Cl)n1,0.0
47291,CO-ADD:0299317,2.4,c1(NC(C)=O)nnc(SCCC#N)s1,0.0
47292,CO-ADD:0299676,2.4,c(c1)(OC(=O)C=C2C)c2cc(c(co3)C)c13,0.0
47293,CO-ADD:0285455,2.4,C1(C2(C)C)=C(C(SS1)=S)c3c(cc(c(C)c3)C)N2C(=O)C=C,0.0
47294,CO-ADD:0290643,2.4,N(=Nc(cc1)ccc1C(OCC)=O)N2CCCCCC2,0.0
47295,CO-ADD:0290589,2.4,c1(nnc(c2ccccc2)o1)c(cc(cccc3C)c3n4)c4C,0.0
47296,CO-ADD:0290326,2.4,C(C#N)(C(c1ccc(c(O)c1)OC)C2=C(N3c4ccc(cc4F)Br)CC(C)(C)CC2=O)=C3N.[Na+],0.0
47297,CO-ADD:0290624,2.4,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN4CCC(CC4)C,0.0
47298,CO-ADD:0285556,2.4,c1(C(O)=O)c(cc(O)c(c2)Br)c2n(C)c1Cn3ccnc3C,0.0
47299,CO-ADD:0285787,2.4,c1(C(=O)Nc(cc2)ccc2OC)c(C)c(sc1N)c3ccccc3,0.0
47300,CO-ADD:0293673,2.4,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cccc(C)c5)cccc4,0.0
47301,CO-ADD:0295455,2.4,C(Cc1ccccn1)(CC2CC3CC4C2)(C3)C4,0.0
47302,CO-ADD:0293435,2.4,C(NN\C(=N\c(cc1)ccc1OC)\C(F)(F)F)(C(F)(F)F)(C(F)(F)F)NC(OCC)=O,0.0
47303,CO-ADD:0296075,2.4,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc5)ccc5N(C)C)cccc4,0.0
47304,CO-ADD:0293152,2.4,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C\c4ccccc4)\C1=O)=NC(C)=C2C(OC)=O,0.0
47305,CO-ADD:0292825,2.4,C(C(=O)c1cccc(Br)c1)(C2c(cccn3)c3)=C(O)C(N2c4ccccn4)=O,0.0
47306,CO-ADD:0293953,2.4,C1(=CC(=O)Oc2c1ccc(c2)\N=C/c3ccccc3O)C(F)(F)F,0.0
47307,CO-ADD:0294472,2.4,C1(C)(C(OC)=O)C(=O)OC(C(C)(C)C1=O)c2ccc(cc2)Br,0.0
47308,CO-ADD:0293041,2.4,N1(c2ccc(cc2)OC(F)(F)F)C(=O)C(CC1=O)S\C(\NCCc3ccccc3)=N\c4cc(Cl)cc(Cl)c4,0.0
47309,CO-ADD:0296000,2.4,n1c(N2CCCC(C)C2)c(Nc(ccc(c34)OCO3)c4)nc(non5)c15,0.0
47310,CO-ADD:0295075,2.4,c1(c2c(s3)CCCC2)c3nc(\C=C/c4ccccc4)nc1O,0.0
47311,CO-ADD:0294939,2.4,C1(c2ccc(cc2C)NC(=O)c(ccc(c3[N+](=O)[O-])OCC)c3)=Cc4c(OC1=O)cccc4,0.0
47312,CO-ADD:0295600,2.4,C(C(C)=O)(C1c2ccc(cc2)C)=C(O)C(N1Cc3ccco3)=O,0.0
47313,CO-ADD:0293376,2.4,C(=N\c(cc1)ccc1OC(F)(F)F)(/SC(C(O)=O)CC2=O)\N2CCc3ccccc3,0.0
47314,CO-ADD:0293143,2.4,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(ccc4c(cc5)ccc5C(O)=O)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
47315,CO-ADD:0295466,2.4,C1(C#N)(C#N)C(C1(C#N)C#N)C(=O)c2ccc(cc2)Cl,0.0
47316,CO-ADD:0293431,2.4,c1(C(=O)C2CC2)oc(c3c1NC(=O)c4ccc(cc4)Cl)cccc3,0.0
47317,CO-ADD:0292760,2.4,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)Nc3scc(c4ccc(cc4)OC)n3,0.0
47318,CO-ADD:0291245,2.4,c1(nonc1N)\C(=N\OCc2c(C)ccc(cccc3)c23)\N4CCCCC4,0.0
47319,CO-ADD:0291293,2.4,C1(C(=O)c2ccc(cc2)Cl)=C(OC(c3ccccc3)c4ccccc4)C(N(c5ccccc5)C1(OC)C(OC)=O)=O,0.0
47320,CO-ADD:0287841,2.4,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)N2CCc(c3C2)cccc3,0.0
47321,CO-ADD:0287587,2.4,N1=C(c2cccs2)C=C(CC(c3cccs3)=N1)c4cccs4,0.0
47322,CO-ADD:0287836,2.4,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2c(cc3C)c(F)cc3C(C)=O)F,0.0
47323,CO-ADD:0287182,2.4,c1(c(C)nn(c2ccccc2)c1Cl)C3C4=C(CC(C)(C)CC4=O)OC(N)=C3C#N,0.0
47324,CO-ADD:0290625,2.4,c(C(OCC)=O)(c(cc(cc1)OC(C)=O)c1n2c3cccc(C)c3)c2C,0.0
47325,CO-ADD:0299149,2.4,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc(OCC)c(c5[N+](=O)[O-])O)c5)cccc4,0.0
47326,CO-ADD:0299157,2.4,c1(NC(CSc2ncccn2)=O)cc(on1)C,0.0
47327,CO-ADD:0299213,2.4,C(C(OCC)=O)(C(F)(F)F)(NC(c1ccccc1)=O)Nc2sc(c(CC)c2C#N)C,0.0
47328,CO-ADD:0287338,2.4,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)C)=C(O)C(N2CC=C)=O,0.0
47329,CO-ADD:0285355,2.4,c1(N(CC2)CCO2)nc(NNC(COc3ccc(cc3Cl)Cl)=O)cc(N(CC4)CCO4)n1,0.0
47330,CO-ADD:0285363,2.4,N1(CC(O)=O)C(C)(O)C(OC1=O)(C)C,0.0
47331,CO-ADD:0285403,2.4,C(C(c1ccccc1)=O)(C2c3ccccc3OC)=C(O)C(N2CCOC)=O,0.0
47332,CO-ADD:0290881,2.4,c(c1c(s2)CCCC1)(C(=O)N3c4ccccc4)c2N=C3SC(C)C(C)=O,0.0
47333,CO-ADD:0286735,2.4,C(/Sc1n2c3c(cccc3)n1)(=C(/C=Cc(c45)cc(cc4)C)\N5CC)\C2=O,0.0
47334,CO-ADD:0286295,2.4,C(=N/c1ccc(cc1C)C)(/S\C(\C2=O)=C\c(ccc3c4cc(Cl)ccc4Cl)o3)\N2,0.0
47335,CO-ADD:0293798,2.4,C12(CCC(=NN1c3ccccc3)c4ccccc4)N(c5ccccc5)N=C(C(OCC)=O)S2,0.0
47336,CO-ADD:0293358,2.4,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(cc5)C)cccc4,0.0
47337,CO-ADD:0295812,2.39,s1c(C)nnc1SCC(=O)Nc2ccc(cc2F)F,0.0
47338,CO-ADD:0292956,2.39,C(C(=O)c1ccc(cc1)Cl)(C2c3ccccc3)=C(O)C(N2CCNC(C)=O)=O,0.0
47339,CO-ADD:0293608,2.39,C(=S)(Nc1ccccc1)N(Cc(cc2)ccc2F)Cc(ccc(c3OC)OC)c3,0.0
47340,CO-ADD:0292719,2.39,c1(C(OCC)=O)c2c(oc1CN3CCCCC3)ccc(OC)c2.Cl,0.0
47341,CO-ADD:0293966,2.39,n(\N=C\c1cccc(OCCOc(cc2)ccc2C)c1)(cnn3)c3,0.0
47342,CO-ADD:0295876,2.39,c12c([nH]nc1C(C)(C)C)OC(N)=C(C#N)C2c3cc(OCO4)c4cc3[N+](=O)[O-],0.0
47343,CO-ADD:0293834,2.39,C12=C(CC(c(ccc(c34)OCO3)c4)CC1=O)Nc(c5NC2c(cc6OC)cc(c6O)OC)cccc5,0.0
47344,CO-ADD:0292847,2.39,N1(CN(CC2)CCN2C(c3ccccc3)c4ccccc4)c(cccc5)c5\C(=N\c(cccc6C(F)(F)F)c6)\C1=O,0.0
47345,CO-ADD:0293252,2.39,C(=N\NC(=O)\C=N\O)(/c1c(N2)cccc1)\C2=O,0.0
47346,CO-ADD:0294086,2.39,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)NNC(=O)c3nn(cc3Br)C,0.0
47347,CO-ADD:0295236,2.39,C(C(C)=O)(C1c(cc2)ccc2N(C)C)=C(O)C(N1Cc3ccco3)=O,0.0
47348,CO-ADD:0295301,2.39,N1(c2ccc(cc2)Br)C(=O)\C(=C\NCCSC(C)(C)C)\C(NC1=O)=O,0.0
47349,CO-ADD:0295509,2.39,N1(C(C)(C)C\C(\CC1(C)C)=N\O)OC(c(cc2)ccn2)=O.Cl,0.0
47350,CO-ADD:0292329,2.39,N1(c2ccccc2OC)C(=O)C3C(C4C(C5C3C=C4)C(C5C6=O)C(N6c7ccccc7OC)=O)C1=O,0.0
47351,CO-ADD:0295576,2.39,c1(C(OC)=O)c(N)c(c2s1)ccc(c2)[N+](=O)[O-],0.0
47352,CO-ADD:0293131,2.39,N1(CN2CCC(CC2)Cc3ccccc3)c(cccc4)c4\C(=N\c(cc5)ccc5OCCCC)\C1=O,0.0
47353,CO-ADD:0287168,2.39,c1(cc(ccc1Oc(cc2)ccc2F)NC(COc3cccc(F)c3)=O)C(F)(F)F,0.0
47354,CO-ADD:0287432,2.39,N1(c2ccc(c3c2)OCO3)C(=O)C(C4C1=O)C(C=C5)\C(\C45)=C(\C)/C,0.0
47355,CO-ADD:0291836,2.39,C(/c1c(N2CC)cccc1)(\C2=O)=C(\SC(N3NC(c(cc4)ccn4)=O)=S)/C3=O,0.0
47356,CO-ADD:0291868,2.39,C1(C(=O)NNC(=O)CC#N)=Cc(cccc2OC)c2OC1=O,0.0
47357,CO-ADD:0291566,2.39,C(=COc1c2cc(c(O)c1CN(CC3)CCO3)CC)(C2=O)c4sc(c5n4)cccc5,0.0
47358,CO-ADD:0291459,2.39,c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
47359,CO-ADD:0287394,2.39,C1(c2cccc(cccc3)c23)=NNC(=S)N1c4ccccc4,0.0
47360,CO-ADD:0287973,2.39,C1(C(=O)OC2CCCCC2)=C(C)NC(=O)CC1c3ccc(c(Cl)c3)Cl,0.0
47361,CO-ADD:0287239,2.39,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3OC(Cl)(F)F)\N2CCc4ccccc4)N(CC5)CCO5.Br,0.0
47362,CO-ADD:0287247,2.39,N1(c2ccc(cc2)NC(C)=O)C(=O)c3c(cc(cc3)Br)C1=O,0.0
47363,CO-ADD:0287263,2.39,c1(C(=O)c(cc2)ccc2C3CCCCC3)sc4c(c(C)cc(C)n4)c1N,0.0
47364,CO-ADD:0286416,2.39,C(/Sc1n2c3c(cccc3)n1)(\C2=O)=C(/Sc(c45)ccc(Cl)c4)\N5CC,0.0
47365,CO-ADD:0291807,2.39,S(=O)(=O)(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2oc(c3n2)cccc3,0.0
47366,CO-ADD:0292097,2.39,n1c2c(oc1c(ccc(c3NC(COc4ccc(cc4Cl)Cl)=O)C)c3)cccn2,0.0
47367,CO-ADD:0286397,2.39,C(C#N)(C(CC(N1)=O)c(ccs2)c2)=C1SCC(C)=C,0.0
47368,CO-ADD:0286770,2.39,c1(C(N)=O)c(C)c(N)c(nc1Cl)C,0.0
47369,CO-ADD:0286578,2.39,c12c(c(cc(Oc3c(ccc(C)c3)N4)c14)N5CCCCC5)C(c(cccc6)c6C2=O)=O,0.0
47370,CO-ADD:0292706,2.39,c1(Sc2ccc(cc2Cl)NC(CCCCCCCCC)=O)sc(c3n1)cccc3,0.0
47371,CO-ADD:0292836,2.39,n1(nnc(C(OCC)=O)c1c2ccc(c(OC)c2)OC)c3nonc3N,0.0
47372,CO-ADD:0294567,2.39,N1(C(CCC(=O)Nc2ccccc2OC)=O)C(c3ccc(cc3)Br)CC(c4ccc(cc4)Br)=N1,0.0
47373,CO-ADD:0295090,2.39,c1(no[n+]2[O-])c2c([nH]cn3)c3c(no[n+]4[O-])c14,0.0
47374,CO-ADD:0295687,2.39,C1(C(C)=O)=C(Nc(cc2)ccc2OC)CC(C)(O)C(C(C)=O)C1c3cccc(OC)c3,0.0
47375,CO-ADD:0295632,2.39,C(C#N)(C1c(cc2)ccc2C3C4=C(CCCC4=O)OC(N)=C3C#N)=C(N)OC(CCCC5=O)=C15,0.0
47376,CO-ADD:0292746,2.38,N(C(CC)=O)(C(=O)CCN1C(C)=O)c2c1cccc2,0.0
47377,CO-ADD:0292730,2.38,N(C=O)(C(C)CC(N1)=O)c2c1cccc2,0.0
47378,CO-ADD:0294620,2.38,n1(c2ccc(cc2)OCC)nc(c3n1)ccc(NC(=O)c(cc4OCC)cc(c4OCC)OCC)c3,0.0
47379,CO-ADD:0293149,2.38,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(cc(n4c5ccc(cc5)Cl)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
47380,CO-ADD:0294533,2.38,s1c(C)nnc1SCC(=O)Nc2ccc(cc2OC)OC,0.0
47381,CO-ADD:0292915,2.38,C1(=O)Oc2c(C3=C1CCC3)ccc(c2)OC(C)c4ccccc4,0.0
47382,CO-ADD:0292890,2.38,n12c(cc(C(NCCCC)=O)n1)nc3c(CCc(cccc4)c34)c2C(F)(F)F,0.0
47383,CO-ADD:0294840,2.38,c1(O2)c(cc(OC(c3ccccc3)=O)cc1c(cc4)ccc4[N+](=O)[O-])SC2=S,0.0
47384,CO-ADD:0294765,2.38,N(c1c(cccc1)NC(CC(C)(C)CC2=O)=C23)(C(=O)C4CC4)C3c5ccc(cc5)Cl,0.0
47385,CO-ADD:0293998,2.38,c1(c2ccccc2)nc(sc1c3ccccc3)NCc4c(O)ccc(cccc5)c45,0.0
47386,CO-ADD:0293763,2.38,N1(C)C(=O)N(C2C1NNC(N2)=O)C.Cl,0.0
47387,CO-ADD:0292134,2.38,C(/c1c(N2Cc3ccccc3)cccc1)(=C(\C#N)/C(OCC)=O)\C2=O,0.0
47388,CO-ADD:0291704,2.38,n1(c2ccc(cc2)OC)nc(c3n1)ccc(NC(=O)c4cccc(Br)c4)c3,0.0
47389,CO-ADD:0300102,2.38,N(c1ccc(cc1)C)(C(=O)c2ccccn2)C3(CCCCC3)C(=O)Nc4c(C)cccc4C,0.0
47390,CO-ADD:0291629,2.38,c1(NC(=O)Nc2cccc(Cl)c2)nnc(\C=C\c3ccccc3)s1,0.0
47391,CO-ADD:0287287,2.38,C(C(OCC)=O)(=C1)C(=O)NC(C)=C1\C(\C)=N\Cc2ccccc2,0.0
47392,CO-ADD:0287623,2.38,C(=N\O)(/C(C)(C)O)\C=C\c1ccccc1,0.0
47393,CO-ADD:0287647,2.38,c1(C(=O)N(CC2)CCN2)cn(nc1C34CC5CC(CC(C5)C3)C4)c6ccccc6,0.0
47394,CO-ADD:0287671,2.38,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cccn5)c5)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
47395,CO-ADD:0287288,2.38,C1(=C(C)NN(c2ccccc2)C1=O)C(C(OC)=O)(SCC(=O)Nc3ccccc3)C(F)(F)F,0.0
47396,CO-ADD:0299758,2.38,n1(c2ccccc2)c(COc(ccc(c3Cl)Cl)c3)nnc1S,0.0
47397,CO-ADD:0291007,2.38,C(=N/NC(=O)OC(C)(C)C)(/c1c(N2CC(O)=O)cccc1)\C2=O,0.0
47398,CO-ADD:0290842,2.38,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)Nc3cc(C)ccc3C,0.0
47399,CO-ADD:0291231,2.38,N1(c2ccc(cc2)Cl)C(=O)\C(=C/Nc(cc3)ccc3S(=O)(=O)Nc4cc(OC)nc(OC)n4)\C(NC1=O)=O,0.0
47400,CO-ADD:0292070,2.38,C(/SC(N1c2ccccc2)=S)(=C(\C=Cc(c34)cc(cc3)C)/N4CC)\C1=O,0.0
47401,CO-ADD:0286963,2.38,c1(c2cc(OC)ccc2OC)[nH]c(c(c3ccc(cc3)Br)n1)c4ccc(cc4)Br,0.0
47402,CO-ADD:0292547,2.38,c1(c2ccc(Br)c1)N(CCC(=O)N2)C=O,0.0
47403,CO-ADD:0295405,2.38,c1(O2)c(c(n[nH]1)CC)C(C(C#N)=C2N)c3ccc(cc3)Cl,0.0
47404,CO-ADD:0293506,2.38,C(=O)(C(NCC)=O)NN(c1ccccc1)C(=O)c2ccc(cc2)F,0.0
47405,CO-ADD:0294714,2.38,c1(C(=O)N(CC)CC)c(cc(cc1[N+](=O)[O-])SCc2ccccc2)[N+](=O)[O-],0.0
47406,CO-ADD:0294320,2.38,C(C(OCCOc1ccccc1)=O)(C(c2ccc(C)s2)N3)=C(C)N(C3=O)C,0.0
47407,CO-ADD:0292824,2.38,c1(nonc1N)\C(\N)=N\OC(=O)c(cc2)ccc2C(C)(C)C,0.0
47408,CO-ADD:0295889,2.38,c1(Nc2ccccc2C)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
47409,CO-ADD:0293275,2.38,c1(NC(=O)c2ccccc2Cl)n(c3ccccc3)ncc1C(=O)Nc4ccccc4OC,0.0
47410,CO-ADD:0294883,2.38,C1(C2)(CC(CC(C(N)=O)=C1)(CN2CC(O)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
47411,CO-ADD:0295371,2.38,C(/c1ccccc1Cl)(\c2ccccc2Cl)=C(\C3CCN4CC3)/C4.Cl,0.0
47412,CO-ADD:0292988,2.38,c1(O)c(C)cc(cc1C)CSCC(=O)N\N=C\c2ccc(cc2O)O,0.0
47413,CO-ADD:0292813,2.38,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c34)OCO3)c4,0.0
47414,CO-ADD:0294637,2.38,C(/c1c(N2C)cccc1)(\C2=O)=C(\SC(N3Cc4ccco4)=S)/C3=O,0.0
47415,CO-ADD:0293373,2.38,C1(=COc(c2C1=O)ccc(C)c2)C3SC[C@@H](C(O)=O)N3,0.0
47416,CO-ADD:0293501,2.38,N1(c2ccc(cc2)C)C(c3ccc(cc3)Br)C(=C(Nc(cc4)ccc4C)C1=O)CC(O)=O,0.0
47417,CO-ADD:0293718,2.38,n1c(c2ccc(cc2)OC)csc1Nc(cc3)ccc3N,0.0
47418,CO-ADD:0295949,2.38,c1(NC(C)CC)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
47419,CO-ADD:0293270,2.38,c(c(C)nn1c2ccccc2)(\C=C(\C(C)=NN3c4ccccc4)/C3=O)c1O,0.0
47420,CO-ADD:0286967,2.38,c1(CN(CC2)CCN2Cc3ccccc3)n(C)c4c(cccc4)c1C#N.Cl.Cl,0.0
47421,CO-ADD:0299919,2.38,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cc(C)ccc2C)(C(=O)Nc3ccccc3OC)C1c4ccccc4,0.0
47422,CO-ADD:0299943,2.38,C(C#N)(C(c1ccccc1)CC(N2)=O)=C2SCC(=O)Nc3cc(C)ccc3C,0.0
47423,CO-ADD:0299993,2.38,n1(c2c(n3)cccc2)c3S\C(=C/c(cc(OC)c(c4[N+](=O)[O-])O)c4)\C1=O,0.0
47424,CO-ADD:0286626,2.37,C(/C#N)(\C(OCC)=O)=C/c(ccc1c(ccc(c2C(OCC)=O)Cl)c2)o1,0.0
47425,CO-ADD:0287946,2.37,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccccc3OCc4ccccc4Cl,0.0
47426,CO-ADD:0287236,2.37,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3OC(F)(F)F)\N2CCc(ccc(c4OC)OC)c4)N5CCCCC5.Br,0.0
47427,CO-ADD:0287364,2.37,C(=C\c(cc1OC)cc(c1OC(C)=O)OC)(/C(=O)NC(N2CC=C)=O)\C2=O,0.0
47428,CO-ADD:0299642,2.37,C1(C(F)(F)F)(C(F)(F)F)C=C(C)N(C(N)=C1C#N)c2ccc(cc2)NC(C)=O,0.0
47429,CO-ADD:0285476,2.37,c1(C(=O)Nc2ccccc2OC)c(C)c(sc1NC(=O)c3ccccc3Br)c4ccccc4,0.0
47430,CO-ADD:0285492,2.37,c1(c2ccccc2)nc(oc1c3ccccc3)SCc4ccccc4C#N,0.0
47431,CO-ADD:0286635,2.37,C1(=Cc2c(OC1=O)cccc2)C(=O)NC(=S)NNC(CSc3nnc(C)n3c4ccccc4)=O,0.0
47432,CO-ADD:0291236,2.37,N1(c2cccc(Cl)c2)C(=O)\C(=C/Nc(cc3)ccc3S(=O)(=O)Nc4cc(OC)nc(OC)n4)\C(NC1=O)=O,0.0
47433,CO-ADD:0287679,2.37,N12C(S\C(=C/c3c(OC)ccc(ccc(OC)c4)c34)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(Br)c(cc5OC)OC,0.0
47434,CO-ADD:0291705,2.37,n1(c2ccc(cc2)OCC)nc(c3n1)ccc(NC(=O)c4ccc(cc4)I)c3,0.0
47435,CO-ADD:0293587,2.37,C(/Oc(c12)ccc3c1OC(=O)C=C3C)(\C2=O)=N/N(c4ccccc4)C(C)=O,0.0
47436,CO-ADD:0295842,2.37,c1(C(=O)Nc2ccccc2OCC)c3c(sc1NC(Cc(cc4)ccc4OC)=O)CC(C)CC3,0.0
47437,CO-ADD:0292690,2.37,c1(cc(ccc1N(CC2)CCN2CCOc3nonc3OC)C(F)(F)F)[N+](=O)[O-].Cl,0.0
47438,CO-ADD:0292519,2.37,N(CCC(N1C(C)C)=O)(C(C)=O)c(cccc2)c12,0.0
47439,CO-ADD:0292512,2.37,n1(c2ccccc2)c(SCC(=O)c3cccs3)nnc1Cc4ccccc4,0.0
47440,CO-ADD:0292931,2.37,C(=C)(P(O)(O)=O)P(O)(O)=O,0.0
47441,CO-ADD:0294097,2.37,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(cc3OC)OC)=C(O)C(N2C)=O,0.0
47442,CO-ADD:0295766,2.37,c1(NC(COc2ccc(cc2F)F)=O)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
47443,CO-ADD:0293125,2.37,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5cc(OC)ccc5OC)cccc4,0.0
47444,CO-ADD:0294327,2.37,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3c(Cl)ccc(c3)[N+](=O)[O-],0.0
47445,CO-ADD:0294820,2.37,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1NCC(O)c2ccccc2,0.0
47446,CO-ADD:0292380,2.37,C1(SC(C(=O)N1c2ccc(cc2)OCC)C)(c3c(N4CN5CCc(c6C5)cccc6)cccc3)C4=O,0.0
47447,CO-ADD:0294709,2.37,C1(C2c(cc3)ccc3N(C)C)=C(CCCC1=O)c4c(ccc5c4cccn5)N2,0.0
47448,CO-ADD:0294460,2.37,P(c1ccccc1)(c2ccccc2)(=O)c3ccccc3OCc4ccccc4P(OCC)(OCC)=O,0.0
47449,CO-ADD:0295888,2.37,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccccc3)C2c(cc4)cc(c4OC(=O)N(CC5)CCO5)OC,0.0
47450,CO-ADD:0293642,2.37,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2Br)(C(=O)Nc3ccccc3C)C1c4ccccc4,0.0
47451,CO-ADD:0292165,2.37,N1c2c(cccc2)SC(CC(=O)Nc3cccc(c3)OC(C)=O)C1=O,0.0
47452,CO-ADD:0291875,2.37,c(c1)(c(NC)c2c(cccn2)c1[N+](=O)[O-])[N+](=O)[O-],0.0
47453,CO-ADD:0291491,2.37,c(C(F)(F)F)(c(Cl)c(n1CC(=O)NCc2ccco2)C)n1,0.0
47454,CO-ADD:0292133,2.37,c(C(OCC)=O)(c(C)nc1NC(=O)c(cc2OC)cc(c2OC)OC)s1,0.0
47455,CO-ADD:0291815,2.37,N1(c2cccc(C)c2C)C(=O)\C(\SC1=S)=C(/c3c(N4)cccc3)\C4=O,0.0
47456,CO-ADD:0291463,2.37,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(cc3)ccc3C(OCCC)=O,0.0
47457,CO-ADD:0285448,2.37,C1(c2ccc(cc2)OC)=C(C)C(c3c(cccc3)O1)c4cccs4,0.0
47458,CO-ADD:0290612,2.37,N1(CC(NCCC)=O)CC1C(NCCC)=O,0.0
47459,CO-ADD:0299202,2.37,S(=O)(=O)(c1ccc(cc1)Br)N2CCC(CC2)C(N)=O,0.0
47460,CO-ADD:0287908,2.37,N1(C(Cc(cc2)ccc2[N+](=O)[O-])C(=O)NCc3ccccc3)C(=O)c4c(cccc4)C1=O,0.0
47461,CO-ADD:0287276,2.37,S(=O)(=O)(c(cc1)cc(c12)OC(N2C(=O)Oc3ccccc3)=O)N(c4cccc(C)c4)C(=O)Oc5ccccc5,0.0
47462,CO-ADD:0299987,2.37,c1(SCC(=O)c2ccc(C)s2)sc3c(ccc(OCC)c3)n1,0.0
47463,CO-ADD:0299812,2.37,N1(c2ccccc2F)C(=O)NC(\C(=C/c3cc(OC)ccc3OC)\C1=O)=O,0.0
47464,CO-ADD:0291658,2.37,C1(C(c(cccc2[N+](=O)[O-])c2)C3=C(O)N=C(C)NC3=O)=C(O)N=C(C)NC1=O,0.0
47465,CO-ADD:0285622,2.37,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4)ccc4OC(C)C)\C1=O,0.0
47466,CO-ADD:0286917,2.37,N1(CSc2nnc(SCN3C(=O)c4c(cccc4)C3=O)s2)C(=O)c5c(cccc5)C1=O,0.0
47467,CO-ADD:0299815,2.37,N1(c2ccccc2F)C(=O)NC(\C(=C/c3cccs3)\C1=O)=O,0.0
47468,CO-ADD:0285831,2.37,N1(C(c2ccc(cc2)Br)CC(c3cccs3)=N1)C(=N)SC(CC(N4c5cccc(C)c5)=O)C4=O,0.0
47469,CO-ADD:0295613,2.37,C1(C(F)(F)F)(C(F)(F)F)C(CCCCC2)=C2N(C(N)=C1C#N)c3ccccc3F,0.0
47470,CO-ADD:0293405,2.37,c(Sc1nnc(C)s1)(nc(Nc2ccc(cc2C)C)nc3Nc4ccc(cc4C)C)n3,0.0
47471,CO-ADD:0295134,2.37,C1(=O)N(C(C)=O)c(c2N1C(C)=O)ccc(Br)c2,0.0
47472,CO-ADD:0293476,2.37,C12(CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)c4ccco4,0.0
47473,CO-ADD:0293486,2.37,c1(c2c(sc1NC(Cc3ccccc3)=O)CCCCC2)C(=O)Nc4cccc(C)c4,0.0
47474,CO-ADD:0295034,2.37,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NNC(c(cc3)ccn3)=O,0.0
47475,CO-ADD:0293969,2.37,C1(C#N)(C#N)C(c2ccccc2)C(CCC)C(CC1(C#N)C#N)=O,0.0
47476,CO-ADD:0293432,2.37,c12c(ncnc1Oc3cccc(Cl)c3)c4c(cccc4)o2,0.0
47477,CO-ADD:0293097,2.37,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCC2)C(=O)N(CC4)CCN4C,0.0
47478,CO-ADD:0295552,2.37,[nH](c(ccc(c1)Br)c1c2CCN)c2C,0.0
47479,CO-ADD:0294461,2.37,C(C)(NC(=O)Oc1ccccc1CP(c2ccccc2)(c3ccccc3)=O)(C(F)(F)F)C(F)(F)F,0.0
47480,CO-ADD:0293618,2.37,n1c(c2ccc(c3c2)cccc3)csc1\C(\C#N)=C\c4sccc4C,0.0
47481,CO-ADD:0154801,2.37,N#CC1=C(SCC(NC2=CC=C(Br)C=C2)=O)N=C(C3=CC=CC=C3)C=C1C4=CC=CC(F)=C4,0.0
47482,CO-ADD:0311634,2.37,c12c(n(cn1)CC\N=C(\CCCCC3)/N3C)C(N(C)C(=O)N2C)=O.Cl,0.0
47483,CO-ADD:0311987,2.37,C(=O)(NN(c1ccccc1OC)C(c2ccccc2)=O)C(O)(c3ccccc3OC)c4ccccc4OC,0.0
47484,CO-ADD:0311890,2.36,C(N)(COc(cc1)ccc1C(C)=O)=O,0.0
47485,CO-ADD:0156166,2.36,O=C(C1=CNC2=CC=CC(C(O)=O)=C2)NC(NC1=O)=O,0.0
47486,CO-ADD:0311922,2.36,C1(Nc(cccc2)c2C(=O)N1c3ccccc3)(c4c(N5CC(=O)N(CC)CC)ccc(Br)c4)C5=O,0.0
47487,CO-ADD:0306718,2.36,C12=C(CC(c3ccc(cc3)OC)CC1=O)c4c(ccc(cccc5)c45)NC2c(cccn6)c6,0.0
47488,CO-ADD:0307474,2.36,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccc(C)c4,0.0
47489,CO-ADD:0155442,2.36,O=C1O/C(N=C1C2=CC=C(Br)C=C2)=C\C(C)=C\C(C=C3)=CC=C3/C=C(C)/C=C4N=C(C(O/4)=O)C(C=C5)=CC=C5Br,0.0
47490,CO-ADD:0155429,2.36,ClC1=CC(C2=CSC(NC3=CC=C(C)C=C3)=N2)=CC=C1Cl,0.0
47491,CO-ADD:0155478,2.36,[O-][N+](C(N=C1)=NN1CC(N/N=C/C2=C(O)C=CC3=C2C=CC=C3)=O)=O,0.0
47492,CO-ADD:0158642,2.36,C=CCC1=C(O)C(/C=N/C(N=C2)=CC=C2Cl)=CC=C1,0.0
47493,CO-ADD:0305985,2.36,C1(OCC(CO1)(C)c2ccccc2)(c3c(N4CN(C)Cc5ccccc5)cccc3)C4=O,0.0
47494,CO-ADD:0307192,2.36,n(c1ccccc1[N+](=O)[O-])(c2C)c(CCCC3=O)c3c2CC(Cl)(Cl)Cl,0.0
47495,CO-ADD:0311080,2.36,c1(cnc(C)n1CC(=O)Nc2ccc(cc2F)F)[N+](=O)[O-],0.0
47496,CO-ADD:0312222,2.36,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c(ccs5)c5,0.0
47497,CO-ADD:0156427,2.36,[O-][N+](C1=CC(NC(CSC2=NC(C=C3)=C(C=C3OCC)S2)=O)=CC=C1)=O,0.0
47498,CO-ADD:0305861,2.36,c1(NC(=O)c(cccc2[N+](=O)[O-])c2C)sc(c3c1C#N)CCC3,0.0
47499,CO-ADD:0311162,2.36,c1(NC(=O)c2cccc(Br)c2)sc(c3c1C(OC)=O)CCCC3,0.0
47500,CO-ADD:0305748,2.36,C(C(OC)=O)(C1c(cc2)ccc2C(F)(F)F)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
47501,CO-ADD:0162466,2.36,N1(C(OCC)=O)c(ccc(c2)Cl)c2OC1=O,0.0
47502,CO-ADD:0161670,2.36,c1(\C=N\NC(COc(cc2)ccc2Cl)=O)cc(OC)ccc1OC,0.0
47503,CO-ADD:0161694,2.36,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc2ccccc2[N+](=O)[O-])=O,0.0
47504,CO-ADD:0155676,2.36,OC(C=C1)=C(C=C1/N=C/C2=C(O)C=CC(Br)=C2)C3=NC4=CC=C(C)C=C4O3,0.0
47505,CO-ADD:0155028,2.36,[O-][N+](C1=C(C=CC=C1)C2=C(N)C(C(C(F)(F)F)=CC(C3=CC=CC=C3)=N4)=C4S2)=O,0.0
47506,CO-ADD:0155036,2.36,N#CC1(C#N)C(N)=C(C2=CCN(C)C[C@]2([H])[C@H]1C(C=C3)=CC=C3OC(C)=O)C#N,0.0
47507,CO-ADD:0160078,2.36,[O-][N+](C(C=C1)=CC=C1C(N/N=C(C)\C2=C(OC)C=C(OC)C=C2)=O)=O,0.0
47508,CO-ADD:0161591,2.36,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2ccccc2)=O)N(CCCC)CC)c1,0.0
47509,CO-ADD:0161607,2.36,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)CCOc2cccc(Br)c2,0.0
47510,CO-ADD:0156022,2.36,CN(C)C1=CC=C(C=C1)C(C(C=C2)=CC=C2N(C)C)=NNC3=NC(C4=CC=C5C=CC=CC5=C4)=CS3.Br,0.0
47511,CO-ADD:0161283,2.36,C(C(OCC)=O)(C1c2ccccc2)=C(CSc3c(cc(c4n3)CCCCC4)C#N)OC(N)=C1C#N,0.0
47512,CO-ADD:0161587,2.36,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2ccc(cc2Br)C)=O)N(CCCC)CC)c1,0.0
47513,CO-ADD:0161619,2.36,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3,0.0
47514,CO-ADD:0161339,2.36,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC(=O)c3cccs3)c4cccs4,0.0
47515,CO-ADD:0160236,2.36,O=C(COC1=CC(Cl)=CC=C1)N/N=C/C2=CC(OC)=C(OCCCCCC)C=C2,0.0
47516,CO-ADD:0163511,2.36,[N+](=O)([O-])c1cccc(c1)\C=N\NC(COc2ccc(cc2Br)OC)=O,0.0
47517,CO-ADD:0301421,2.35,C1(=O)Oc(c(cc(c2OC(OCCCl)=O)Br)S1)c2,0.0
47518,CO-ADD:0301888,2.35,c1(NC(=O)c2ccco2)n(c3ccccc3)ncc1C(=O)N4CCC(CC4)C(N)=O,0.0
47519,CO-ADD:0305223,2.35,C1(OCC(CO1)(C)c2ccccc2)(c3c(N4CN5CCC(CC5)Cc6ccccc6)cccc3)C4=O,0.0
47520,CO-ADD:0304448,2.35,c1(C(NCCO)=O)nnn(Cc2ccccc2)c1N,0.0
47521,CO-ADD:0304425,2.35,C1(C(CC(O)=O)C(C)=O)=C(O)CC(C)(C)CC1=O,0.0
47522,CO-ADD:0304433,2.35,N(Cc1ccccc1C)(C2=O)C(=O)N(c3c2n(Cc4ccccc4)cn3)C,0.0
47523,CO-ADD:0301030,2.35,C(=S)(N(CCc1ccccc1)Cc2ccccc2)Nc3ccccc3OC,0.0
47524,CO-ADD:0300527,2.35,N1(CC(=O)N(CC)CC)c2c(\C(=C(/C#N)\c3[nH]c4c(ccc(C)c4)n3)\C1=O)cc(Br)cc2,0.0
47525,CO-ADD:0304879,2.35,c1(ccccc1OC)NN,0.0
47526,CO-ADD:0303898,2.35,C(C(OCC)=O)(=CN(c1ccc(cc1)F)C=C2C(OCC)=O)C2c3cccc(OC)c3,0.0
47527,CO-ADD:0304019,2.35,c1(n[nH]cc1[N+](=O)[O-])C(=O)N(c2ccc(cc2)OC)C3(CCCCC3)C(=O)Nc4ccccc4,0.0
47528,CO-ADD:0301887,2.35,c1(c(C#N)cnn1c2ccccc2)NC(=O)c3ccccc3F,0.0
47529,CO-ADD:0306986,2.35,C(OC)(F)(C(F)(F)F)C(=O)Nc(cc(cc1[N+](=O)[O-])[N+](=O)[O-])c1C,0.0
47530,CO-ADD:0312302,2.35,c1(cccc(cccc2)c12)C(NCCOc(cc3)ccc3C)=O,0.0
47531,CO-ADD:0312179,2.35,S(=O)(=O)(Cc1ccccc1)N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])C(F)(F)F,0.0
47532,CO-ADD:0157049,2.35,N#CC(C(C(F)(F)F)=C1)=C(SCC(NC2=NN=C(CC)S2)=O)N=C1C3=CC=CS3,0.0
47533,CO-ADD:0156190,2.35,O=C(COC1=CC=CC(Br)=C1)N/N=C/C(C=CC=C2)=C2OCC,0.0
47534,CO-ADD:0154881,2.35,N#CC(C(C1=CSC=C1)C(C2=O)=C(C(C=CC=C3)=C3O2)O4)=C4N,0.0
47535,CO-ADD:0154914,2.35,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C3=CC(Cl)=C(Cl)C=C3,0.0
47536,CO-ADD:0154954,2.35,O=C(C[N+](C(N)=C1)=CC=C1C)C2(CC3C4)CC4C[C@@H](C3)C2.[Br-],0.0
47537,CO-ADD:0156414,2.35,[O-][N+](C1=CC=CC=C1C(N(C(C2=CC=CC=C2)(O)C3)N=C3C(F)(F)F)=O)=O,0.0
47538,CO-ADD:0156431,2.35,ClC1=CC(Cl)=CC(/C=N/C2=C(O)C=CC(C)=C2)=C1O,0.0
47539,CO-ADD:0311420,2.35,c(OC(C(F)(F)F)C(F)(F)F)(nc(Nc(cc1)ccc1OC(F)(Cl)F)nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
47540,CO-ADD:0156471,2.35,O=C(C1=CC=C(Cl)C=C1)NC2=CC=C3OC(C4=C(Cl)C=C(F)C=C4)=NC3=C2,0.0
47541,CO-ADD:0156092,2.35,[O-][N+](C1=CC=CC=C1OCC(N/N=C/C2=CC=C(Br)O2)=O)=O,0.0
47542,CO-ADD:0307499,2.35,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(OC)c4,0.0
47543,CO-ADD:0307003,2.35,c12c(C(N(Cc3ccccc3)C=N1)=O)nnn2Cc4ccccc4,0.0
47544,CO-ADD:0312284,2.35,[N+](=O)([O-])c1ccccc1NC(CSCC(=O)Nc2ccccc2)=O,0.0
47545,CO-ADD:0155913,2.35,FC1=CC=C(C=C1)/C(C2=CC=C(C=C2)N3CCCCC3)=N\NC4=CC=CC=C4,0.0
47546,CO-ADD:0155564,2.35,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C(C(OC)=C3)=CC=C3OC)=NC(NC4=CC=CC=C4C)=N2)=O,0.0
47547,CO-ADD:0155164,2.35,[O-][N+](C(C=C1/C=N/NC(C2=CC=NC=C2)=O)=C(C=C1)N3CCCC3)=O,0.0
47548,CO-ADD:0155853,2.35,[O-][N+](C(C=C1)=CC=C1C2=C(C3=CC=CC=C3)NC(C4=CC(C(N5)=NC(C6=CC=C(C=C6)[N+]([O-])=O)=C5C7=CC=CC=C7)=CC=C4)=N2)=O,0.0
47549,CO-ADD:0162761,2.35,c1(C(CCNc(cc2)ccc2Br)=O)ccc(C)o1,0.0
47550,CO-ADD:0162865,2.35,c1(Br)c(O)c(\C=N\NC(COc2cccc(Cl)c2)=O)c(c(Br)c1O)C,0.0
47551,CO-ADD:0154348,2.35,NC(C(C#N)=C1)=NC(N(CC#C)C)=C1C#N,0.0
47552,CO-ADD:0311828,2.35,c1(OC(N)=C(C2c(cc(OCC)c(c3[N+](=O)[O-])OC(=O)c4cccs4)c3)C#N)c2c(n[nH]1)CCC,0.0
47553,CO-ADD:0306855,2.35,C1(=NNC(=O)N1)[N+](=O)[O-],0.0
47554,CO-ADD:0310879,2.35,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)COc(cc4)ccc4C(C)(C)C,0.0
47555,CO-ADD:0161327,2.35,c1(OC(N)=C(C2c(ccc(c3[N+](=O)[O-])Cl)c3)C#N)c2c(n[nH]1)C,0.0
47556,CO-ADD:0161128,2.35,C(=N\NC(COc1cccc(Br)c1)=O)(/c(cc(C)cc2)c2N3C)\C3=O,0.0
47557,CO-ADD:0304137,2.35,c1(cc(ccc1OC)C=O)OCc2ccccc2F,0.0
47558,CO-ADD:0160091,2.35,O=C(C1=CC(C(NC2=CC=C(C=C2)C(OC)=O)=O)=CC=C31)N(C4=CC=CC=C4C)C3=O,0.0
47559,CO-ADD:0304167,2.35,N1(c2cccc(C)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4OC,0.0
47560,CO-ADD:0159822,2.35,ClC1=C(C=CC=C1)C(C2)N(C3=CC=CC=C3F)N=C2C(C=C4)=CC=C4Br,0.0
47561,CO-ADD:0301531,2.35,c1(n2)c(c3c(cccc3)C1=O)nc(ccc(nsn4)c45)c25,0.0
47562,CO-ADD:0301412,2.35,c12c(c3c(cccc3)C1=O)c4c(ccc(cccc5)c45)nc2c6ccc(cc6)OCC,0.0
47563,CO-ADD:0304168,2.35,N1(c(cc2)ccc2C(OC)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4[N+](=O)[O-],0.0
47564,CO-ADD:0301317,2.35,N(C(=O)\C(\S1)=C/c2ccc(cc2OCC)OCC)=C1N3CCCC3,0.0
47565,CO-ADD:0303815,2.35,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4ccco4)[N+](=O)[O-],0.0
47566,CO-ADD:0302859,2.35,c1(c(C)oc(c2ccccc2)c1)C(=O)Nc(cc3)ccc3Cc(cc4)ccn4,0.0
47567,CO-ADD:0304874,2.35,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)Cl)n1Cc5ccco5,0.0
47568,CO-ADD:0305149,2.35,c12c(non1)nc(Nc3ccccc3F)c(N\N=C\c4cc(OC)c(cc4[N+](=O)[O-])O)n2,0.0
47569,CO-ADD:0304483,2.35,C1(=O)Nc2c(Oc(cc(cc3OCCC)[N+](=O)[O-])c13)cccc2,0.0
47570,CO-ADD:0304899,2.35,c1(N(CC2)CCS2)scc(c3ccc(cc3)Cl)n1,0.0
47571,CO-ADD:0304932,2.35,C(CC(NCCOc1ccccc1Cl)=O)(c2c3cccc2)c4c(O3)cccc4,0.0
47572,CO-ADD:0304945,2.34,N1(c(ccc(c2s3)nc3SCC(=O)Nc4ccccc4C(F)(F)F)c2)C(=O)c(c5C1=O)ccc(c5)[N+](=O)[O-],0.0
47573,CO-ADD:0300495,2.34,C(/c1c(N2)ccc(Cl)c1)(\C2=O)=C(\S\C(\N3c4ccccc4)=N/c5ccccc5)/C3=O,0.0
47574,CO-ADD:0304450,2.34,c1(C(NCCc2ccccc2)=O)nnn(Cc3ccccc3)c1N,0.0
47575,CO-ADD:0301199,2.34,N1(C2c3ccc(cc3)F)C(S\C(=C\c(cc4)ccc4N(C)C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
47576,CO-ADD:0304922,2.34,c1(scc(c(cccc2[N+](=O)[O-])c2)n1)N(CC3C)CC(O3)C,0.0
47577,CO-ADD:0300654,2.34,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cccs5)cccc4,0.0
47578,CO-ADD:0300462,2.34,S(NCCOC)(=O)(=O)c(cccc1C(=O)Nc2ccccc2[N+](=O)[O-])c1,0.0
47579,CO-ADD:0300847,2.34,n1c(Cl)c(sc1\N=C\N(C)C)\C=C(\C#N)/C#N,0.0
47580,CO-ADD:0300792,2.34,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(cc4OCC)cc(c4OC)Br,0.0
47581,CO-ADD:0305024,2.34,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(Cl)c3C)C2c4ccco4,0.0
47582,CO-ADD:0304104,2.34,C12(OCC(CO1)(C)CC)c3c(NC2=O)cccc3,0.0
47583,CO-ADD:0303466,2.34,N1(C2CCCCC2)CC(CC1=O)C(=O)Nc3cc(Cl)cc(Cl)c3,0.0
47584,CO-ADD:0301414,2.34,c1(c2ccccc2)cc(c3ccc(cc3)OCC)nc(ccc(cccc4)c45)c15,0.0
47585,CO-ADD:0157114,2.34,O=C(N/N=C/C=C/C1=CC=CO1)/C(NC(C2=CC=CC=C2)=O)=C/C3=CC=C(C=C3)N(CC)CC,0.0
47586,CO-ADD:0157186,2.34,[O-][N+](C(C=C1)=CC=C1C(NC2=CC=CC(NC(C3=CC=C(C=C3)[N+]([O-])=O)=O)=C2C)=O)=O,0.0
47587,CO-ADD:0157234,2.34,O=C1OC(C2=CC(OC)=C(C(OC)=C2)OC)=N/C1=C\C3=CC(C)=CC=C3,0.0
47588,CO-ADD:0157250,2.34,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(OC/2=O)=NC2=C/C(C=C3)=CC=C3C)=C1)=O,0.0
47589,CO-ADD:0157179,2.34,[O-][N+](C(C=C1Br)=CC(/C=N\NC(/C(NC(C2=CC=CC=C2)=O)=C\C3=CC=C(C=C3)N(CC)CC)=O)=C1O)=O,0.0
47590,CO-ADD:0157027,2.34,NC1=C(C(C(C)(C)C)=O)SC2=C1C(C3=CC=CC=C3)=CC(C4=CC=C(Br)C=C4)=N2,0.0
47591,CO-ADD:0306288,2.34,[N+](=O)([O-])c1ccc(c(SCc2ccccc2)c1)C#N,0.0
47592,CO-ADD:0154905,2.34,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC=CS3)=C(C)N1C,0.0
47593,CO-ADD:0154921,2.34,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C3=CC(OCO4)=C4C=C3,0.0
47594,CO-ADD:0156476,2.34,OC1=CC(C2=CC(NC(C)(C)C2)(C)C)=CC=C1O,0.0
47595,CO-ADD:0154810,2.34,O=S(N1CCCCC1)(C2=CC=CC(S(N3CCCCC3)(=O)=O)=C2)=O,0.0
47596,CO-ADD:0154907,2.34,O=C1N(CCO)C(C2=CC=C(N3CCOCC3)C4=CC=CC1=C42)=O,0.0
47597,CO-ADD:0154939,2.34,N#CC1=C(N)OC(C=C(N)C=C2)=C2C1C3=CC(I)=CC=C3,0.0
47598,CO-ADD:0154822,2.34,O=C(NCCCCNC(C(C1=CC=CC=C1)C2=CC=CC=C2)=O)C(C3=CC=CC=C3)C4=CC=CC=C4,0.0
47599,CO-ADD:0155557,2.34,S=C(N1C2=CC=CC=C2)N(C(C=C3C)=CC=C3C)C(/C(C1=O)=C/C4=CC(OC)=C(OC)C=C4)=O,0.0
47600,CO-ADD:0158409,2.34,O=C(C(C=C1)=CC=C1NC(CC(C)C)=O)N(C2=CC=CC=C2)C3=CC=CC=C3,0.0
47601,CO-ADD:0310951,2.34,C(C1)(Nc(cc2)ccc2Cl)=CC(CC1c3ccc(cc3)OC)=O,0.0
47602,CO-ADD:0155875,2.34,ClC1=C(Cl)C=CC(NC2=NC(C3=CC=C(C(Cl)=C3)Cl)=CS2)=C1,0.0
47603,CO-ADD:0306962,2.34,n1(c2c(C)cc(cc2C)C)nnnc1SCC(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
47604,CO-ADD:0162500,2.34,c(C(=O)Nc1nc(c2n1CCN(CC3)CCO3)cccc2)(c(c4ccccc4)nn5c6ccccc6)c5C,0.0
47605,CO-ADD:0154446,2.34,[H]N(N)N1C2=C(C=CC=C2)CC1.Cl,0.0
47606,CO-ADD:0154463,2.34,COC1=CC=C(NC=C2C(OCC)=O)C2=C1,0.0
47607,CO-ADD:0307074,2.34,c1(cccc(F)c1F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
47608,CO-ADD:0154519,2.34,CN1C2=CC=CC=C2C(C(OCC)=O)=C1,0.0
47609,CO-ADD:0301946,2.33,C12(c(cccc3)c3C(c4ccccc4)(c5ccccc5)S1)N(c6ccc(cc6)C)N=C(C(c7ccccc7)=O)S2,0.0
47610,CO-ADD:0159859,2.33,NC1=NC(N)=NC(C(C=C2)=CC=C2OC3=CC=C(N)C=C3)=N1,0.0
47611,CO-ADD:0159891,2.33,O=C(O)C1=CC=CC(C2=CC=C(/C=N/C3=CC=C(C=C3)C(S4)=NC5=C4C=CC(C)=C5)O2)=C1,0.0
47612,CO-ADD:0159924,2.33,BrC1=CC(/C=N/C2=CC(N=C(C3=CC(C)=CC=C3)O4)=C4C=C2)=C(O)C=C1,0.0
47613,CO-ADD:0301757,2.33,c1(nn(cn1)CC(=O)Nc2sc(c3c2C(OC)=O)CCCC3)[N+](=O)[O-],0.0
47614,CO-ADD:0160452,2.33,O=C(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)N/N=C/C2=CC=C(O2)SC3=CC=C(/C=N\NC(COC4=CC=C(C=C4)C(C)(C)CC(C)(C)C)=O)O3,0.0
47615,CO-ADD:0160133,2.33,[O-][N+](C(C=C1)=CC=C1C(OCC(C2=CC=CC=C2Br)=O)=O)=O,0.0
47616,CO-ADD:0303458,2.33,C(=S)(Nc(cc1)ccc1OC)N(CC(CCC=C2)C2)CC3CCCO3,0.0
47617,CO-ADD:0301969,2.33,c12c(nc(N)nn1)c3c(cccc3)C2=O,0.0
47618,CO-ADD:0161316,2.33,C1(C2c3cccc(I)c3)=C(c4c(cccc4)OC1=O)OC(N)=C2C(OCC)=O,0.0
47619,CO-ADD:0161085,2.33,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c2ccco2,0.0
47620,CO-ADD:0304116,2.33,c(cc(cc1C(O)=O)[N+](=O)[O-])([N+](=O)[O-])c1N(CC2)CCN2c(cccc3C(F)(F)F)c3.Cl,0.0
47621,CO-ADD:0303721,2.33,C1(=S)NC(NN1c2ccc(cc2)Cl)(C)CCc3ccccc3,0.0
47622,CO-ADD:0303126,2.33,C(NC(CC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C(OC)=O)CCC2,0.0
47623,CO-ADD:0303098,2.33,c1(S\C(\C(C)=O)=N\Nc(cc2)ccc2Br)nnnn1c3ccc(cc3)C,0.0
47624,CO-ADD:0300735,2.33,C1(=O)OCc(cc(cc2)NC(C)=O)c12,0.0
47625,CO-ADD:0302070,2.33,C(=O)(c1ccc(cc1)OCC)Nc(cc(cc2C(O)=O)C(O)=O)c2,0.0
47626,CO-ADD:0304121,2.33,N1(c2ccc(cc2)F)C(=O)C(C)=C(N=C1SCC(OCC)=O)O,0.0
47627,CO-ADD:0303944,2.33,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c(ccs5)c5)cccc4,0.0
47628,CO-ADD:0303705,2.33,n1(c2cccc(cccc3)c23)nnnc1SCc4c(C)cc(c(C(C)=O)c4C)C,0.0
47629,CO-ADD:0302187,2.33,S1(=O)(=O)c(cccc2)c2C(=O)N1CC(=O)c(cccc3S(=O)(=O)N(CC4)CCO4)c3,0.0
47630,CO-ADD:0311848,2.33,c1(C#N)c(C#N)c2c(nc1I)CCCCCCCCCC2,0.0
47631,CO-ADD:0307364,2.33,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(ccc(c3O)OC)c3,0.0
47632,CO-ADD:0311507,2.33,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccccc4Cl,0.0
47633,CO-ADD:0311541,2.33,C(=S)(NN(CC1)CCN1C)Nc2ccccc2C,0.0
47634,CO-ADD:0311127,2.33,S(NCCc(cc1)ccc1Cl)(=O)(=O)c(cc2)ccc2N3CCCC3=O,0.0
47635,CO-ADD:0306015,2.33,c1(c(C)n[nH]c1O)C(c2ccc(c(OC)c2)OCc3ccccc3Cl)c4c(C)n[nH]c4O,0.0
47636,CO-ADD:0305965,2.33,n1c(c2ccc(cc2)Br)csc1CC(N)=O,0.0
47637,CO-ADD:0305969,2.33,c1(SC)nc(C)cc(C)c1C(N)=O,0.0
47638,CO-ADD:0305675,2.33,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3Cl)C2c4ccccc4,0.0
47639,CO-ADD:0306028,2.33,N1(c2ccccc2OC)C(=O)c3c(NC1c4cc(Cl)cc(COCO5)c45)cccc3,0.0
47640,CO-ADD:0311486,2.33,n1c2c([nH]c1C(F)(F)F)cc(Cl)cc2Cl,0.0
47641,CO-ADD:0311501,2.33,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)OC)Nc2sc(c3c2C#N)CC(CC3)C,0.0
47642,CO-ADD:0307201,2.33,n1(Cc2ccccc2)c(C)c(c3c1CC(C)(C)CC3=O)CC(Cl)(Cl)Cl,0.0
47643,CO-ADD:0154838,2.33,[O-][N+](C1=CC(/C=N\C2=CC=C(C=C2)C(N/N=C/C3=CC=C(OC(C(C=C4)=CC=C4OC)=O)C([N+]([O-])=O)=C3)=O)=CC=C1OC(C5=CC=C(OC)C=C5)=O)=O,0.0
47644,CO-ADD:0158679,2.33,O=C1/C(N=C(C(C=C2)=CC=C2C(C)(C)C)O1)=C/C3=CC=C(C)C=C3,0.0
47645,CO-ADD:0311043,2.33,c1(C(c2ccc(cc2)OC(F)(F)F)CC(N3)=O)c3cc(C)c(C)c1,0.0
47646,CO-ADD:0154886,2.33,N#CC1=C(SCCCCCCCCCCCCCCCC)N=C(C2=CC=CC=C2)C=C1C3=CC=CC=C3,0.0
47647,CO-ADD:0307642,2.33,N(CCN1Cc(cc2)ccc2Cl)(Cc(cc3)ccc3Cl)C1C(CCC=C4)C4,0.0
47648,CO-ADD:0307048,2.33,c1(c(Br)cc(c(F)c1)N2CCC(CC2)C)[N+](=O)[O-],0.0
47649,CO-ADD:0305486,2.33,c1(n[nH]cn1)C(=O)NC(C)c2ccc(cc2)CC,0.0
47650,CO-ADD:0155934,2.33,O=C(C(NCCC1=CC=CC=C1)=O)NC2=NC=CS2,0.0
47651,CO-ADD:0163922,2.33,C(=O)(NCC(C)c1ccccc1)c2ccc(c(OC)c2)OC,0.0
47652,CO-ADD:0163087,2.32,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(cc4Br)cc(c4O)Br,0.0
47653,CO-ADD:0163512,2.32,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c(cc2)ccc2OC(=O)\C=C/c3ccco3,0.0
47654,CO-ADD:0163056,2.32,c1(SCC(=O)N\N=C\c(cc2OC)cc(c2OC)OC)oc(c3n1)cccc3,0.0
47655,CO-ADD:0163088,2.32,[C@]12(C)C(CCCC1(O)C#C)=CC(=O)CC2,0.0
47656,CO-ADD:0302415,2.32,C1(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)=C(C)N(N(c5ccccc5)C1=O)C,0.0
47657,CO-ADD:0163297,2.32,n1c(cccc1C(=O)N\N=C\c(cc2)ccc2C(OC)=O)C(=O)N\N=C\c(cc3)ccc3C(OC)=O,0.0
47658,CO-ADD:0301852,2.32,C(C(OC)=O)(C1c2ccc(cc2)Br)=C(C)N(C(C)=C1C(OC)=O)C,0.0
47659,CO-ADD:0303241,2.32,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4CC#N,0.0
47660,CO-ADD:0160493,2.32,N#CC1=C(SC)N=C(C)C(C(NC2=CC=CC=C2)=O)=C1C3=CC=CO3,0.0
47661,CO-ADD:0160349,2.32,[O-][N+](C(C=C1)=CC=C1C2=CSC(NC(C)=O)=N2)=O,0.0
47662,CO-ADD:0302392,2.32,C1(C#N)=C(SCC(=O)Nc2ccc(cc2C)C)NC(=O)CC1c3ccccc3OCC,0.0
47663,CO-ADD:0302364,2.32,c1(C(OCC)=O)c(CN(CC2)CCC2(c3ccccc3)C(OCC)=O)oc(cc(Br)c(OC)c4)c14,0.0
47664,CO-ADD:0302906,2.32,C(=C\c1ccccc1OS(=O)(=O)c2ccc(cc2)C)(/C(C)=NN3c(cc4)ccc4[N+](=O)[O-])\C3=O,0.0
47665,CO-ADD:0303315,2.32,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SC)C1c2ccc(cc2)Cl,0.0
47666,CO-ADD:0304413,2.32,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(NCCOc(cc4)ccc4CCC)=O,0.0
47667,CO-ADD:0301194,2.32,C(=N/c1ccccc1)(/S\C(\C2=O)=C\c3cccc(F)c3)\N2C4CCCCC4,0.0
47668,CO-ADD:0300475,2.32,N1(C(=O)\C(\SC1=N)=C\c2c3c([nH]c2C)cccc3)c4nonc4N,0.0
47669,CO-ADD:0300483,2.32,C12(Nc(cccc3)c3C(=O)N1Cc4ccccc4)c5c(N(CC(=O)N(CC)CC)C2=O)cccc5,0.0
47670,CO-ADD:0300995,2.32,C(c1ccccc1)(=O)Nc2cccc(c2)OCC(O)=O,0.0
47671,CO-ADD:0304973,2.32,C(=C/c(ccc(c1OC)O)c1)(/C(=O)NN2c3ccc(c(Cl)c3)F)\C2=O,0.0
47672,CO-ADD:0300544,2.32,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cccc(cccc6)c56)cccc4,0.0
47673,CO-ADD:0300546,2.32,C12=C(CC(c(ccc(c34)OCO3)c4)CC1=O)Nc(c5NC2c6ccc(C)s6)cccc5,0.0
47674,CO-ADD:0300930,2.32,C(C#N)(C1c(cc2)ccc2C(OC)=O)=C(N)OC(C)=C1C(C)=O,0.0
47675,CO-ADD:0302909,2.32,N(c1ccc(cc1)C)(C2c3ccc(c4c3)OCO4)C(c5ccccc5)=NN2c6ccccc6,0.0
47676,CO-ADD:0302613,2.32,N1(c2ccccc2OC)C(\C=C\c(cccn3)c3)=Nc(c4C1=O)cccc4,0.0
47677,CO-ADD:0302597,2.32,N1(CNc2ccccc2)C(=O)C(C3C1=O)C(CC34)C=C4,0.0
47678,CO-ADD:0304106,2.32,C12(OCC(CO1)(C)c3ccccc3)c4c(N(C)C2=O)cccc4,0.0
47679,CO-ADD:0301355,2.32,c1(scc2c3ccc(cc3)Cl)n2c4c(cc(c(C)c4)C)n1,0.0
47680,CO-ADD:0302922,2.32,N1(c2ccc(cc2)OCC)C(c(cc3)ccc3N(CC4)CCO4)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
47681,CO-ADD:0306917,2.32,c1(noc(c2ccccc2Br)n1)c3nonc3N,0.0
47682,CO-ADD:0306909,2.32,c1(C2c3ccc(cc3)OCc4ccccc4F)c([nH]nc1c5ccc(c(Cl)c5)Cl)OC(N)=C2C#N,0.0
47683,CO-ADD:0306060,2.32,N1C(=O)C(C#N)C(C([n+]2ccccc2)C1=O)c3ccc(cc3)Br.[Cl-],0.0
47684,CO-ADD:0157343,2.32,O=C(COC(C(Br)=C1)=CC=C1C)N/N=C/C2=CNC3=C2C=CC=C3,0.0
47685,CO-ADD:0157351,2.32,O=C(COC1=CC=C(CCCCC)C=C1)N/N=C/C(C=CC=C2)=C2OCCCCCC,0.0
47686,CO-ADD:0157586,2.32,[O-][N+](C(C=C1)=CC=C1C2=CSC(N)=N2)=O,0.0
47687,CO-ADD:0305663,2.32,C(=C(C)NC(=C1C#N)SCC(=O)Nc2ccccc2CC)(C(=O)Nc3ccccc3C)C1c4ccccc4,0.0
47688,CO-ADD:0305655,2.32,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3Oc4ccccc4)C2c5ccccc5,0.0
47689,CO-ADD:0311993,2.32,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccc(c(F)c3)F)N4CCC(CC4)C)[N+](=O)[O-],0.0
47690,CO-ADD:0311933,2.32,n1(C)c(S)nnc1CC(C)O,0.0
47691,CO-ADD:0311321,2.32,n1(c2c(nn1)cccc2)S(=O)(=O)c3ccc(cc3C)OC,0.0
47692,CO-ADD:0306903,2.31,c1(noc(c2cccc(COc3ccc(cc3Cl)Cl)c2)n1)c4nonc4N,0.0
47693,CO-ADD:0312544,2.31,C1(C(=C2)SC=C1)[C@@H](C(O)=O)[C@@H](C(=O)N(c3cc(Br)ccc3)C4)C24,0.0
47694,CO-ADD:0312512,2.31,[C@H]1(O[C@@]2(C=C1)[C@@H]3CN(C2)S(=O)(=O)c4ccc(C)cc4)C3,0.0
47695,CO-ADD:0311202,2.31,N1(CC(O)CN(c2c(OC)ccc(c2)[N+](=O)[O-])S(=O)(=O)c3ccc(cc3)C)C(=O)C(NC1=O)(C)C,0.0
47696,CO-ADD:0312285,2.31,n1(c2ccccc2)c(SCc3cccc(cccc4)c34)nnc1c5ccco5,0.0
47697,CO-ADD:0312345,2.31,C(=N\c(cc1)ccc1OC(F)(F)Cl)(/SC(C(=O)Nc2ccccc2Cl)CC3=O)\N3C,0.0
47698,CO-ADD:0156168,2.31,[O-][N+](C1=CC=C(O)C(N/C=C2C(N(C3=CC=CC=C3)N=C/2C)=O)=C1)=O,0.0
47699,CO-ADD:0156384,2.31,N#CC1=C(N)OC(N(C2=CC=CC=C2)N=C3C)=C3C1C(C=CC=C4)=C4[N+]([O-])=O,0.0
47700,CO-ADD:0163742,2.31,C(=O)(Oc(cc1)ccc1\C=N\c(ccc(c2C)C)c2)c3ccccc3Cl,0.0
47701,CO-ADD:0163750,2.31,C(COc1ccc(cc1C)Br)(=O)N\N=C(/C)\CC(NCC)=O,0.0
47702,CO-ADD:0311316,2.31,c1(OC(=O)C=C2C)c2cc(OCc3ccccc3)c(Cl)c1,0.0
47703,CO-ADD:0307542,2.31,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5ccc(cc5OC)OC)cccc4,0.0
47704,CO-ADD:0163374,2.31,[N+](=O)([O-])c1cccc(\C=N\NC(COc2ccc(cc2Br)OC)=O)c1O,0.0
47705,CO-ADD:0311782,2.31,c1(c2cccs2)n[nH]c(O)c1,0.0
47706,CO-ADD:0163657,2.31,c1(OC)c(OC)cc(cc1OC)\C=N\NC(COc2c(C)cccc2C)=O,0.0
47707,CO-ADD:0163081,2.31,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4OC)OC,0.0
47708,CO-ADD:0163674,2.31,C(F)(F)(COc(cc1)ccc1\N=C\c2cc(Cl)ccc2O)C(F)F,0.0
47709,CO-ADD:0163619,2.31,C(=N\NC(COc(ccc(c12)cccc1)c2)=O)(/c(cc(Br)cc3C)c3N4C)\C4=O,0.0
47710,CO-ADD:0158349,2.31,[O-][N+](C1=C(C)C=CC(NC(C(C2)C2C3=CC=CC=C3)=O)=C1)=O,0.0
47711,CO-ADD:0303760,2.31,c1(NC(=O)\C(\C#N)=C/c(ccc2c3ccc(cc3)C)o2)sc(c4c1C(OCC)=O)CCCC4,0.0
47712,CO-ADD:0301630,2.31,c1(NC(=O)c2ccccc2F)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccc(cc3OC)OC,0.0
47713,CO-ADD:0160365,2.31,FC(F)(F)C1=CC=CC(NC2=NC(N3CCOCC3)=NC(N/N=C/C4=CC=C(C=C4)Br)=N2)=C1,0.0
47714,CO-ADD:0160320,2.31,CC1=CC(C2=CC=C(OCCCCCCCC)C=C2)=CC(C(C=C3)=CC=C3OCCCCCCCC)=N1,0.0
47715,CO-ADD:0160384,2.31,O=C(N/N=C\C=C\C1=CC=C(C)O1)/C(NC(C2=CC=CC=C2)=O)=C\C3=CC=C(C(OC)=C3)OC,0.0
47716,CO-ADD:0302937,2.31,C1(=O)Nc(c2N1)ccc(c2)NCc3cccs3,0.0
47717,CO-ADD:0300648,2.31,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccs3,0.0
47718,CO-ADD:0304430,2.31,c1(noc(c(cc2OC)cc(c2OC)OC)n1)c3nonc3N,0.0
47719,CO-ADD:0300996,2.31,n1(c2ccccc2)c(SCC(=O)N(CC3)CCN3C(c4ccccc4)=O)nnc1c5ccccc5,0.0
47720,CO-ADD:0300668,2.31,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(c(Br)c5)F)cccc4,0.0
47721,CO-ADD:0305339,2.31,N1(C)C(\C=C\c(c2c([nH]3)cccc2)c3C)=Nc(c4C1=O)cccc4,0.0
47722,CO-ADD:0304757,2.31,[nH]1c2c(nc1SCC(=O)Nc3ccc(cc3F)F)cccn2,0.0
47723,CO-ADD:0304441,2.31,N1(C(=O)c2c(cc(cc2)Oc3ccccc3)C1=O)c4sc(c5c4C#N)CC(CC5)C,0.0
47724,CO-ADD:0303911,2.31,C(C(OCC)=O)(=CN(c1ccc(cc1)F)C=C2C(OCC)=O)C2c3ccc(c(OC)c3)OC,0.0
47725,CO-ADD:0303298,2.31,[N+](=O)([O-])c1cccc(Cl)c1CSc2nnc(N)s2,0.0
47726,CO-ADD:0301358,2.31,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4)ccc4OCC(N)=O)\C1=O,0.0
47727,CO-ADD:0157882,2.31,CC1=CC(C)=NC(N(CC2)CCN2C3=C4C(N(N=C4)C5=CC=CC=C5)=NC=N3)=N1,0.0
47728,CO-ADD:0312021,2.31,c1(SCC(=O)Nc(cc2)ccc2OC(F)(Cl)F)[nH]c(c3n1)ccc(C)c3,0.0
47729,CO-ADD:0157902,2.31,ClC(C=C(Cl)C=C1)=C1C2=CC=C(/C=N/C3=CC(O)=C(C=C3)C4=NC(C=C5)=C(C=C5C)O4)O2,0.0
47730,CO-ADD:0306324,2.31,C(=O)(c(cc1)ccc1C(F)(F)F)N2CCCC2,0.0
47731,CO-ADD:0305567,2.31,c1(NC(=O)CC(c2ccccc2)CC(O)=O)[nH]nnn1,0.0
47732,CO-ADD:0305811,2.31,c1(NC(=O)c2ccco2)sc(c(C)c1C(OC)=O)C,0.0
47733,CO-ADD:0305626,2.31,C(C#N)(C(CC(N1)=O)c2ccc(c(OC)c2)OCC)=C1SCC(=O)Nc(cc3)ccc3Cl,0.0
47734,CO-ADD:0306168,2.31,n1(nc(n2)c(cccn3)c3)c2nc(C)cc1O,0.0
47735,CO-ADD:0163295,2.31,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(cc2)ccc2OC,0.0
47736,CO-ADD:0163079,2.3,C(Nc(cccc1)c1C2(c3ccccc3)c4ccccc4)(c5cccc(OC)c5OC)O2,0.0
47737,CO-ADD:0312465,2.3,[C@]1(C2)(O[C@@](CN3c4ccccc4)(C=C1)[C@@H]2C3=O)Br,0.0
47738,CO-ADD:0312577,2.3,C1=C[C@]2(O[C@H]13)[C@]([C@@]34[H])([H])[C@@]5(O[C@H]4C(C5C(O6)=O)C6=O)COC2,0.0
47739,CO-ADD:0157251,2.3,[O-][N+](C1=C(C=CC=C1)C(OC/2=O)=NC2=C/C(C=C3)=CC=C3C)=O,0.0
47740,CO-ADD:0305504,2.3,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccccc2)N3CCCC3,0.0
47741,CO-ADD:0157269,2.3,O=C(NC1=CC=C(F)C=C1)CCC(N/N=C/C2=CC=CC(Br)=C2)=O,0.0
47742,CO-ADD:0312472,2.3,[C@@]12(O[C@]3([C@@H]([C@@H]1C(=O)O)C(=O)N(C3)c4ccccc4)C=C2)CCC,0.0
47743,CO-ADD:0311169,2.3,c1(NC(=O)c2ccccc2OC)sc(c(C)c1C(OC)=O)C,0.0
47744,CO-ADD:0156097,2.3,O=C1OC(C2=CC=CC3=C2C=CC=C3)=N/C1=C\C4=CC=C(C(OCC)=C4)OC(C)=O,0.0
47745,CO-ADD:0156500,2.3,O=C(OC1=CC=CC=C1C)NC2=C(C)C=CC(NC(OC(C=CC=C3)=C3C)=O)=C2,0.0
47746,CO-ADD:0311030,2.3,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3ccccc3Cl,0.0
47747,CO-ADD:0156069,2.3,O=C1/C(N=C(C2=CC=CC(I)=C2)O1)=C/C3=CC(OC)=C(OC)C(OC)=C3,0.0
47748,CO-ADD:0311418,2.3,c1(Nc(cc2)ccc2OC(F)(F)Cl)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
47749,CO-ADD:0163782,2.3,N(/c(cc1)ccc1C)=C\c(cc2)ccc2OCc(cc3)ccc3Br,0.0
47750,CO-ADD:0311357,2.3,N1(c2ccccc2)C(=O)C(CCCCCCC)=C(N=C1SCCN(C)C)O.Cl,0.0
47751,CO-ADD:0163895,2.3,c1(C(=O)c2ccc(cc2)Cl)oc3c(c(COC)cc(C)n3)c1N,0.0
47752,CO-ADD:0163463,2.3,c1(c2ccc(cc2)Br)ccc(\C=N\NC(=O)c(ccc(c34)OCCO3)c4)o1,0.0
47753,CO-ADD:0163789,2.3,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2cccc(cccc3)c23,0.0
47754,CO-ADD:0311023,2.3,C(=O)(N\C(=C/c1cccc(F)c1)\C(=O)NCc(cccn2)c2)c3ccccc3Br,0.0
47755,CO-ADD:0157164,2.3,O=C(CCCC)N/N=C/C1=CC(OC)=C(OC)C=C1,0.0
47756,CO-ADD:0158124,2.3,O=C(N/N=C(C)/CC(NC1=CC=CN=C1)=O)C(NC(C=C2)=CC=C2C)=O,0.0
47757,CO-ADD:0158469,2.3,O=C1C2=C(CCC1)N(N=C2)C3=CC=CC=C3,0.0
47758,CO-ADD:0158121,2.3,O=C(N/N=C/C1=CC(OC)=C(OCC=C)C=C1)C(NC2=CC=C(C(C)=C2)C)=O,0.0
47759,CO-ADD:0158449,2.3,[O-][N+](C1=CC(C(NC2=CC=CC(C(N3CCCCC3)=O)=C2)=O)=CC([N+]([O-])=O)=C1)=O,0.0
47760,CO-ADD:0156970,2.3,N#CC1=C(S/C2=C\C3=CC=C(Br)S3)N(C2=O)C(N)=C(C#N)C1C4=CC=C(Br)S4,0.0
47761,CO-ADD:0159936,2.3,[O-][N+](C(C=C1)=CC=C1C2=CC=C(/C=N/NC(COC3=CC=CC=C3C)=O)O2)=O,0.0
47762,CO-ADD:0304336,2.3,n1c(c2ccc(cc2)NC(=O)c3ccccc3OC)cn4c1cccc4,0.0
47763,CO-ADD:0159927,2.3,BrC1=C(OC)C=CC(/C=N/C2=CC=C3C(N=C(C4=CC(C)=CC=C4)O3)=C2)=C1,0.0
47764,CO-ADD:0302666,2.3,c1(Nc2ccccc2)nc(NN)nc(NCc3ccccc3)n1,0.0
47765,CO-ADD:0160356,2.3,O=C(CCCCCCC)N/N=C/C1=CC=C(O1)SC2=NC(C=CC=C3)=C3N2,0.0
47766,CO-ADD:0302366,2.3,c1(CC(=O)Nc(cc2)ccc2Cl)c(Sc3ccccc3)c4c(cccc4)n1Cc5ccccc5,0.0
47767,CO-ADD:0302798,2.3,[nH]1c2c(nc1SCC(=O)N(CC3)CCO3)cccn2,0.0
47768,CO-ADD:0300416,2.3,N(C)(C(CC1)C2)C1CC2(O)c3ccccc3,0.0
47769,CO-ADD:0300393,2.3,C(C#N)(C(CC(N1)=O)c2ccc(c(OCC)c2)O)=C1SCC(=O)Nc(cc3)ccc3OCC,0.0
47770,CO-ADD:0300329,2.3,N1(c(cc2)ccc2N(C)C)C(c(cccc3[N+](=O)[O-])c3)Nc(c4C1=O)cccc4,0.0
47771,CO-ADD:0300394,2.3,C1(C#N)=C(SCC(=O)Nc(cc2)ccc2OCC)NC(=O)CC1c3ccccc3[N+](=O)[O-],0.0
47772,CO-ADD:0301156,2.3,N1(C(=O)c2cccc(Cl)c2)N=C(CC1(O)C3CCCCC3)C,0.0
47773,CO-ADD:0300700,2.3,N(CN(CC1)CCC1c2ccccc2)(N=C(N3C)c4ccco4)C3=S,0.0
47774,CO-ADD:0305292,2.3,C(C(C)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(O)C(N1CCN(CC3)CCO3)=O,0.0
47775,CO-ADD:0300608,2.3,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
47776,CO-ADD:0300693,2.3,C(C#N)(C1c2ccc(cc2)OC(=O)c(ccc(c3Cl)Cl)c3)=C(N)OC(CCCC4=O)=C14,0.0
47777,CO-ADD:0302915,2.3,N1(c2ccc(cc2)OC)C(c(cc3OC)cc(c3OCC(=O)N(CC4)CCO4)Br)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
47778,CO-ADD:0303816,2.3,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4cccc(F)c4,0.0
47779,CO-ADD:0301845,2.3,C(C(OC)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(C)N(C(C)=C1C(OC)=O)C,0.0
47780,CO-ADD:0307286,2.3,C(=O)(N(CC1)CCN1c(cc2)c(F)cc2C(c3ccccc3)=O)c4c(cccc4F)F,0.0
47781,CO-ADD:0307454,2.29,c(S(N)(=O)=O)(nn(c12)c(C)cc(C)n1)n2,0.0
47782,CO-ADD:0310790,2.29,C1(=NC(Cc(cc(OC)c(OC)c2)c12)(C)C)C3=NC4(Cc(cccc5)c35)CCCCC4,0.0
47783,CO-ADD:0305430,2.29,n12c(nc(c3ccc(cc3)F)cc1C(F)(F)F)c(c(C)n2)c4ccccc4,0.0
47784,CO-ADD:0311268,2.29,C(/NC(=O)c1cccc(Cl)c1)(\C(=O)Nc(cc2)ccc2C)=C\c3ccc(C)o3,0.0
47785,CO-ADD:0306783,2.29,C1(C(OCCOC(C)C)=O)=C(C)NC(=C2C1c3ccc(C)o3)CCCC2=O,0.0
47786,CO-ADD:0157621,2.29,O=C(C1=C2C=CC=C1)C3=C2N=NC(C4=CC=C(C)C=C4)=C3,0.0
47787,CO-ADD:0157773,2.29,O=C(NCC(N/N=C/C1=C(O)C=CC(Br)=C1)=O)C2=CC(OC)=C(OC)C=C2,0.0
47788,CO-ADD:0157901,2.29,ClC1=CC(Cl)=CC=C1C2=CC=C(/C=N/C3=CC(N=C(C(C=C4)=CC=C4C)O5)=C5C=C3)O2,0.0
47789,CO-ADD:0157061,2.29,O=C1C(C(SN1)=N2)=C(CCCC3)C3=C2C,0.0
47790,CO-ADD:0157302,2.29,O=C(COC1=CC=CC=C1CC=C)N/N=C/C(C=CC=C2)=C2OCC,0.0
47791,CO-ADD:0157191,2.29,N#CC1=C(SCC(C2=CC=CC=C2)=O)N=C(CCC3)C3=C1,0.0
47792,CO-ADD:0155952,2.29,O=C(COC1=CC=C(C=C1)OCC2=CC=CC=C2)NC3=NN=NN3,0.0
47793,CO-ADD:0161450,2.29,c1(C(N)=O)c2c(sc1N)CCCC2,0.0
47794,CO-ADD:0307034,2.29,c1(C(=O)NC(=N2)c(cc3)ccc3C(F)(F)F)c2c4c(cccc4)o1,0.0
47795,CO-ADD:0161277,2.29,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c4ccc(cc4)SC,0.0
47796,CO-ADD:0312120,2.29,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cnn3c4ccccc4)c3,0.0
47797,CO-ADD:0161285,2.29,C(C(OCC)=O)(=C(CSc1c(cc(c2n1)CCCCC2)C#N)OC(=C3C#N)N)C3c4ccccc4Cl,0.0
47798,CO-ADD:0157301,2.29,O=C(COC(C=C1)=CC=C1CCCCC)N/N=C/C2=C(OCC=C)C=CC3=C2C=CC=C3,0.0
47799,CO-ADD:0311272,2.29,S(=O)(=O)(c1ccc(cc1)C)N(CC(O)CN(CCCC)CCCC)c2ccccc2OC,0.0
47800,CO-ADD:0305403,2.29,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCC(Br)=C)N3c4ccc(cc4)OC,0.0
47801,CO-ADD:0312242,2.29,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cccc(OC)c5OC,0.0
47802,CO-ADD:0157109,2.29,O=C(N/N=C/C1=CC2=C(C=C1Cl)OCO2)C3=CC=CC=N3,0.0
47803,CO-ADD:0312081,2.29,c1(NC(=O)c2ccco2)c(c(cc3)ccc3[N+](=O)[O-])sc4c1c(COC)cc(n4)C,0.0
47804,CO-ADD:0156185,2.29,O=C(N/N=C/C1=CC(Br)=CC=C1OC)C2=CC(OC)=C(OC)C(OC)=C2,0.0
47805,CO-ADD:0156048,2.29,O=C(CC1SCC(NC(C=C2)=CC=C2Cl)=O)N(C3=CC=CC(Cl)=C3)C1=O,0.0
47806,CO-ADD:0156064,2.29,O=C1/C(N=C(C2=CC=CC(Br)=C2)O1)=C/C3=CC(OC)=C(OC)C(OC)=C3,0.0
47807,CO-ADD:0156456,2.29,O=S(N1CCOCC1)(C2=CC(C(OC3=CC=C(OC)C=C3)=O)=CC=C2)=O,0.0
47808,CO-ADD:0156461,2.29,[O-][N+](C1=CC([N+]([O-])=O)=CC(/C=N/C2=CC3=C(C=C2)OC(C4=C(Cl)C=C(F)C=C4)=N3)=C1O)=O,0.0
47809,CO-ADD:0156493,2.29,OC1(C2=CC=CC=C2)CC(C3=CC=CC=C3)N(C)C(C4=CC=CC=C4)C1CC,0.0
47810,CO-ADD:0163894,2.29,C12(C(c3ccccc3)CC(CC1c4ccccc4)=O)C(=O)CC(CC2=O)(C)C,0.0
47811,CO-ADD:0163346,2.29,N(=C(/C)\c(cc1)ccc1C(C)(C)C)/NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
47812,CO-ADD:0163953,2.29,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1C)Br)=O)Nc2ccccc2CC,0.0
47813,CO-ADD:0305686,2.29,C(/C#N)(\C(c1ccccc1Cl)CC(c2ccccc2)=O)=C(/SCC(=O)Nc(cc3)ccc3Cl)\NC(c4ccccc4)=O,0.0
47814,CO-ADD:0163321,2.29,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
47815,CO-ADD:0163974,2.29,C(=O)(N(C(C)C)C(C)C)C\C(\C)=N\NC(=O)C(=O)NC(C)C,0.0
47816,CO-ADD:0156897,2.29,O=C(C1=CC=C(OCCCC)C=C1)NCCCCOC2=CC=C(C(C)(C)CC)C=C2C(C)(C)CC,0.0
47817,CO-ADD:0158607,2.29,O=C(C1=C2C=CC=C1[N+]([O-])=O)N(C3=CC=CC=C3C(OCC(C)C)=O)C2=O,0.0
47818,CO-ADD:0157551,2.29,O=C(C1)N(C2=CC=CC=C2)CC1C(N/N=C/C3=CC=C(F)C=C3)=O,0.0
47819,CO-ADD:0158800,2.29,O[C@@H]([C@@H]1O)[C@H](NC2=CC=CC3=CC=CC=C23)O[C@H](CO)[C@@H]1O,0.0
47820,CO-ADD:0157698,2.29,N#CC([C@H](C1=CC=CC=C1OC)[C@H]2C(C3=CC=CC=C3)=O)(C#N)[C@]4([H])N2C(C=CC=C5)=C5C=C4,0.0
47821,CO-ADD:0157703,2.29,[O-][N+](C1=CC=C2N=C(SC3=CC=C(/C=N/NC(C4=CC=C(F)C=C4)=O)O3)SC2=C1)=O,0.0
47822,CO-ADD:0301429,2.29,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2cccs2,0.0
47823,CO-ADD:0302719,2.29,N1(CCc(ccc(c2OC)OC)c2)C(=O)c(c3C1(O)Cc4ccccc4)cccc3,0.0
47824,CO-ADD:0302785,2.29,C(=C/c(ccc1c2ccc(cc2C(O)=O)Cl)o1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
47825,CO-ADD:0160463,2.29,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(NC2=CC=CC=C2OC)=O)=C1)=O,0.0
47826,CO-ADD:0301793,2.29,[N+](=O)([O-])c1ccc(cc1)Oc2nc(C)cc(C)n2,0.0
47827,CO-ADD:0160471,2.28,O=C(C1=CC=C(Cl)C=C1)N2CCOCC2,0.0
47828,CO-ADD:0303659,2.28,C1(=S)NC(C)(C)C=C(C)N1c2cc(Cl)cc(Cl)c2,0.0
47829,CO-ADD:0301958,2.28,n1(c2c(nc1Cc3ccccc3)cccc2)C(=O)c4ccccc4Cl,0.0
47830,CO-ADD:0300893,2.28,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N4CCCC4,0.0
47831,CO-ADD:0300901,2.28,S(=O)(=O)(c1ccc(cc1)Br)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC(C)C45CC(CC6C4)CC(C6)C5,0.0
47832,CO-ADD:0301149,2.28,N1(C(c2ccccc2)=O)N=C(CC1(O)C(F)(F)F)C3CCCCC3,0.0
47833,CO-ADD:0300725,2.28,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])Sc4cccc(cccn5)c45,0.0
47834,CO-ADD:0304619,2.28,c1(nncn1C)S\C(\C(C)=O)=N\Nc2ccccc2,0.0
47835,CO-ADD:0302575,2.28,N1(c2cccc(c2)C(O)=O)N=C(CC1=O)C,0.0
47836,CO-ADD:0303794,2.28,N1=C(c2ccccc2)CCN1C(=S)Nc3ccccc3,0.0
47837,CO-ADD:0301839,2.28,c1(NC(=S)Nc2ccccc2)sc(c(CCN3C(OCC)=O)c1C(OCC)=O)C3,0.0
47838,CO-ADD:0302942,2.28,N(C(C)=O)(C(c1ccc(cc1)C)N(c2ccc(cc2)Cl)N=C3C(OCC)=O)N3C,0.0
47839,CO-ADD:0302986,2.28,C1(=S)NC2(NN1c3ccc(cc3)Cl)CCCCCC2,0.0
47840,CO-ADD:0302015,2.28,c1(cc(n2)C)n2c(cc(O)n1)c3ccccc3,0.0
47841,CO-ADD:0306779,2.28,C(C(OCCOC(C)C)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(O)c3,0.0
47842,CO-ADD:0306271,2.28,C(C(OC)=O)(=CN(Cc(ccc(c1OC)OC)c1)C=C2C(OC)=O)C2c3ccc(c(OC)c3)OC,0.0
47843,CO-ADD:0306199,2.28,c1(N)c(c2ccccc2)c(nn1c3ccccc3)C,0.0
47844,CO-ADD:0312213,2.28,C(=N\c1ccccc1)(/SC(CC2=O)C(=O)Nc(cc3)ccc3OCCCCCC)\N2,0.0
47845,CO-ADD:0157922,2.28,[O-][N+](C1=CC(C(N/N=C/C2=C(OCC)C=CC(OC)=C2)=O)=CC=C1)=O,0.0
47846,CO-ADD:0157080,2.28,N#CC1=C(SCC(C(C=C2)=CC=C2C)=O)N=C(N)N=C1SC,0.0
47847,CO-ADD:0310994,2.28,c12c(ncn(c3c(cccc3)n4)c14)c(c5s2)c(C)cc(C)n5,0.0
47848,CO-ADD:0157088,2.28,NC1=C(C(OCC)=O)SC2=C1C(/C=C\C3=CC=CC=C3)=CC(C)=N2,0.0
47849,CO-ADD:0306037,2.28,c1(scc(c2ccc(cc2)OC)n1)N3CCC(c4ccccc4)C3,0.0
47850,CO-ADD:0157304,2.28,O=C(COC1=CC=CC=C1CC=C)N/N=C/C2=C(C=CC=C3)C3=CC4=C2C=CC=C4,0.0
47851,CO-ADD:0311557,2.28,c1(n2)c(C(N(C)C(=O)N1C)=O)n(c23)CC(=NN3c4ccccc4)c5ccc(cc5)Br,0.0
47852,CO-ADD:0160523,2.28,CC1=CC=C(C=C1)NC2=NC(N3CCOCC3)=NC(N/N=C/C4=CC=C(C=C4)/C=N/NC5=NC(NC6=CC=C(C)C=C6)=NC(N7CCOCC7)=N5)=N2,0.0
47853,CO-ADD:0305635,2.28,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(=O)Nc(ccc(c23)cccc2)c3)C1c4ccc(cc4)Cl,0.0
47854,CO-ADD:0160470,2.28,O=C(CCl)NC1=NC=CS1,0.0
47855,CO-ADD:0159939,2.28,[O-][N+](C(C=C1)=CC=C1C2=CC=C(/C=N/NC(C3=CC(Br)=CC=C3O)=O)O2)=O,0.0
47856,CO-ADD:0305514,2.28,[N+](=O)([O-])c1ccc(cc1NCc(cccn2)c2)N3CCCC3,0.0
47857,CO-ADD:0157005,2.28,N#CC(C(C(F)(F)F)=C1)=C(SCC(NCC2=CC=CC=C2)=O)N=C1C3=CC=CS3,0.0
47858,CO-ADD:0157021,2.28,N#CC1=C(SCC(NC(C=CC=C2)=C2I)=O)N=C(C3=CC=CC=C3)C=C1C(C=C4)=CC=C4OC,0.0
47859,CO-ADD:0154811,2.28,O=C(NC1=CC=C(C=C1)C(OCC(C)C)=O)C2=CC=CO2,0.0
47860,CO-ADD:0307039,2.28,c1(C2c3cc(Cl)cc(Cl)c3OC)c([nH]nc1c(ccc(c45)OCO4)c5)OC(N)=C2C#N,0.0
47861,CO-ADD:0158792,2.28,O=C(COC(C=CC=C1)=C1Br)N/N=C/C2=CN(C3=CC=CC=C3)N=C2C4=CC=CC=C4,0.0
47862,CO-ADD:0155765,2.28,O=C(C1=CC(C(OC)=O)=CC=C21)N(C(C=C3)=CC=C3C(OCCCCCCC)=O)C2=O,0.0
47863,CO-ADD:0305818,2.28,c1(NC(=O)c2ccc(Br)o2)sc(c(C)c1C(OC)=O)C,0.0
47864,CO-ADD:0163702,2.28,N1(CNc2ccc(cc2C)I)C(=O)\C(\SC1=S)=C/c(cc3)ccc3C(OC)=O,0.0
47865,CO-ADD:0163939,2.28,C(OCc(cc1)ccc1OC)(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2C(C)C,0.0
47866,CO-ADD:0163739,2.28,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)C(=O)Nc3cccc(Cl)c3,0.0
47867,CO-ADD:0305734,2.28,C(C(OCC)=O)(=CN(c1ccc(cc1)F)C=C2C(OCC)=O)C2c3ccccc3F,0.0
47868,CO-ADD:0302375,2.28,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3Cl)C2c4cccs4,0.0
47869,CO-ADD:0158056,2.28,[O-][N+](C1=CC(C(NC2=CC(Cl)=C(NC(C3=CC=CC=C3)=O)C=C2OC)=O)=CC([N+]([O-])=O)=C1)=O,0.0
47870,CO-ADD:0157704,2.28,ClC1=CC=C(C=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(C5=CC=C(Br)C=C5)=C2,0.0
47871,CO-ADD:0157712,2.28,O=C(OC)C1=CC(COC2=CC3=C(C=C2)OC4=C3C=CC=C4)=C(C)O1,0.0
47872,CO-ADD:0301604,2.28,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CN3CCCC3,0.0
47873,CO-ADD:0301311,2.28,N1(CN(CC2)CCN2C(c3ccccc3)c4ccccc4)N=C(OC1=S)c5ccc(cc5)OCC,0.0
47874,CO-ADD:0303302,2.28,c1(scc(c(cc2)ccc2[N+](=O)[O-])n1)N3CCC(c4ccccc4)C3,0.0
47875,CO-ADD:0302720,2.28,N1(c2ccc(cc2)OC(F)(Cl)F)C(=O)CC(N(CC3)CCO3)C1=O,0.0
47876,CO-ADD:0161266,2.28,C(C#N)(C1c2ccc(cc2)OCC=C)=C(N)OC(CCCC3=O)=C13,0.0
47877,CO-ADD:0161282,2.27,c1(C#N)c(cc(nc1SCC(=O)CC(OCC)=O)C)C(F)(F)F,0.0
47878,CO-ADD:0302421,2.27,N1(c2cccc(Cl)c2)C(=O)c3c(N=C1S)cccc3,0.0
47879,CO-ADD:0302469,2.27,N12C(S\C(=C/c(cc3)ccc3[N+](=O)[O-])\C1=O)=NN=C(c4ccccc4)C2c5ccccc5,0.0
47880,CO-ADD:0303060,2.27,C(CN(CC1)CCN1CC(CCC(OC)=O)([N+](=O)[O-])[N+](=O)[O-])(CCC(OC)=O)([N+](=O)[O-])[N+](=O)[O-],0.0
47881,CO-ADD:0301992,2.27,c1(ccc(c2c1OC(c3ccccc3)=O)cccc2)C(=O)Nc(ccc(c4[N+](=O)[O-])Cl)c4,0.0
47882,CO-ADD:0303679,2.27,C12(CCCCC1)Oc(c3O2)ccc(c3)NC(=O)c4ccc(cc4)F,0.0
47883,CO-ADD:0303209,2.27,C(C(OC)=O)(C1c2ccc(cc2)C)=C(C)N(C(C)=C1C(OC)=O)C,0.0
47884,CO-ADD:0305243,2.27,n1(c2ccccc2)c(COc(cc3)ccc3C(C)(C)C)nnc1SCC(=O)NCC(c4ccccc4)=O,0.0
47885,CO-ADD:0300902,2.27,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)c4ccc(cc4)Br,0.0
47886,CO-ADD:0300934,2.27,c1(Nc2ccccc2c3ccccc3)nc(OC)nc(Cl)n1,0.0
47887,CO-ADD:0300558,2.27,C1(=COc(c2C1=O)ccc(C)c2)C3Nc4c(NC(CC(c5ccccc5)CC6=O)=C36)cccc4,0.0
47888,CO-ADD:0300334,2.27,c(C(OCC)=O)(c(cc(O)c(c12)cccc1)c2n3Cc4ccco4)c3C,0.0
47889,CO-ADD:0305106,2.27,S(=O)(=O)(c(ccc(c1N2)NC2=O)c1)N(CC3)CCO3,0.0
47890,CO-ADD:0305068,2.27,c1(C(=O)Nc(cc2)ccc2[N+](=O)[O-])sc3c(c(COC)cc(C)n3)c1N,0.0
47891,CO-ADD:0304916,2.27,c(cc1C)(Sc2ccccn2)c3c(n1)cccc3,0.0
47892,CO-ADD:0301163,2.27,S(=O)(=O)(CCc1sc(c2n1)cccc2)c3ccc(c(C)c3)C,0.0
47893,CO-ADD:0300510,2.27,n1c2c(cccc2)ccc1C(=O)NCc3ccco3,0.0
47894,CO-ADD:0303468,2.27,C1(SCC(=O)N1c2ccc(c(Br)c2)C)(c3c(N4CN5CCc(c6C5)cccc6)cccc3)C4=O,0.0
47895,CO-ADD:0301636,2.27,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccc(c(O)c5)OC)cccc4,0.0
47896,CO-ADD:0304286,2.27,N1(CCc(c(cccc2C(F)(F)F)c2[nH]3)c3C)C(C)(O)C(OC1=O)(C)C,0.0
47897,CO-ADD:0302051,2.27,C1(=NC(=O)NC2=O)C2=Cc3c(cccc3Cl)N1c4ccccc4,0.0
47898,CO-ADD:0302007,2.27,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c3ccc(cc3)OC(=O)c(ccc(c4Cl)Cl)c4,0.0
47899,CO-ADD:0302807,2.27,N1(c2ccc(cc2)F)C(=O)\C(\SC1=N)=C\c(ccc(c3OC)OCc(cc4)ccc4F)c3,0.0
47900,CO-ADD:0311843,2.27,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(NCc3ccccc3)n1Cc4ccccc4,0.0
47901,CO-ADD:0312057,2.27,c1(cc(Cl)ccc1Sc2nnc(N)s2)[N+](=O)[O-],0.0
47902,CO-ADD:0312032,2.27,C(F)(F)(Cl)Oc(cc1)ccc1NC(CNCc(cccn2)c2)=O.Cl,0.0
47903,CO-ADD:0311673,2.27,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c4cccc(cccc5)c45)\C1=O,0.0
47904,CO-ADD:0311819,2.27,c(C(OCC)=O)(c(C)nc1NC(=O)c2cc(c3o2)cccc3)s1,0.0
47905,CO-ADD:0311902,2.27,C(/C(CCC1)=O)(\C1=O)=C/Nc(cc2)ccc2C(=O)NC3CCCCC3,0.0
47906,CO-ADD:0160495,2.27,N#CC1=C(SCC(C(C=C2)=CC=C2C)=O)NC(C)=C(C(NC3=CC=CC=C3)=O)C1C4=CC=CS4,0.0
47907,CO-ADD:0160327,2.27,O=C(COC(C=CC=C1)=C1C)NC2=CC(NC(C)=O)=CC=C2,0.0
47908,CO-ADD:0160173,2.27,[O-][N+](C(C=C1[N+]([O-])=O)=C(C=C1)NC(COC2=CC=C(OC)C=C2)=O)=O,0.0
47909,CO-ADD:0160654,2.27,CC(O1)=NC2=C1C=C(C=CC=C3)C3=C2,0.0
47910,CO-ADD:0160270,2.27,OC1=C(C=CC(/N=C/C2=CC=C(C3=CC(Cl)=CC=C3Cl)O2)=C1)C4=NC(C=C5)=C(C=C5C)O4,0.0
47911,CO-ADD:0160662,2.27,O=C(COC)N/N=C/C1=CC=C(SCC(NC2=CC=CC=C2)=O)O1,0.0
47912,CO-ADD:0312249,2.27,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(c(OC)c5)OC,0.0
47913,CO-ADD:0311661,2.27,n1(CC(=O)N(CC2)CCO2)nnc(c(ccc(c34)OCO3)c4)n1,0.0
47914,CO-ADD:0307044,2.27,c1(cc(F)c(cc1N(CC2)CCO2)N(CC3)CCO3)[N+](=O)[O-],0.0
47915,CO-ADD:0306299,2.27,C(F)(F)(F)c(cc1)ccc1C(=O)Nc(cc2)ccc2OC,0.0
47916,CO-ADD:0155813,2.27,O=C(C1=CC=CC=C1)NC(CC2=CC(O)=CC=C2)C(OC)=O,0.0
47917,CO-ADD:0156058,2.27,[O-][N+](C1=CC(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=CC(C)=C4)=C(O)C=C1)=O,0.0
47918,CO-ADD:0305998,2.27,N1(c2ccc(cc2)Oc3ccccc3)C(c4ccc(cc4)OC)Nc(c5C1=O)cccc5,0.0
47919,CO-ADD:0156066,2.27,O=C1/C(N=C(C(C=C2)=CC=C2Cl)O1)=C/C3=CC(OC)=C(OC)C(OC)=C3,0.0
47920,CO-ADD:0163327,2.27,n1c(c2ccc(cc2)Cl)csc1N\N=C(\Cc3ccccc3[N+](=O)[O-])/C(O)=O.Br,0.0
47921,CO-ADD:0163751,2.27,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3N(C)C)c1,0.0
47922,CO-ADD:0306967,2.27,c1(c[nH]nc1c2ccc(cc2)F)C3C4=C(CC(c5ccco5)CC4=O)OC(N)=C3C#N,0.0
47923,CO-ADD:0163380,2.27,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C(/C)\c(cc2)ccc2c3ccccc3,0.0
47924,CO-ADD:0163772,2.27,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)NCc2ccccc2,0.0
47925,CO-ADD:0305776,2.27,c(C1=NCC2)(c23)n(CCN1C)c4c3cc(cc4)C.Cl,0.0
47926,CO-ADD:0156888,2.27,[O-][N+](C1=C(O)C(/C=N/NC2=NN=CN2N)=CC([N+]([O-])=O)=C1)=O.Cl,0.0
47927,CO-ADD:0158099,2.27,O=C(N/N=C(C)/CC(NC1=C(C)C=CC(Cl)=C1)=O)C(NC2=CC(Cl)=C(C)C=C2)=O,0.0
47928,CO-ADD:0157715,2.26,O=C(NC1=CC=C2C=CC=CC2=C1)CSCC3=CNC4=C3C=CC=C4,0.0
47929,CO-ADD:0156947,2.26,O=C(C1=CC=CC=C1)NC2=NN=C(C3=CC(O)=C(O)C=C3)S2,0.0
47930,CO-ADD:0158068,2.26,O=C(N/N=C(C)\CC(NC1=CC=CC=C1CC)=O)C2=CC(OC)=CC(OC)=C2,0.0
47931,CO-ADD:0155709,2.26,N#C/C(C1=NC(C=CC=C2)=C2S1)=C\C3=C(O)C=CC([N+]([O-])=O)=C3,0.0
47932,CO-ADD:0302992,2.26,C1(SCC(=O)N1c2ccc(cc2)OCCCCC)(c3c(N4CN(CC5)CCO5)cccc3)C4=O,0.0
47933,CO-ADD:0303881,2.26,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)OC)c5ccccc5,0.0
47934,CO-ADD:0155966,2.26,O=C(NC1=CC=C(C=C1)C(O2)=NC3=C2C=C(C)C=C3)C(C(Cl)=C4)=CC=C4Cl,0.0
47935,CO-ADD:0161567,2.26,o1c(C)ccc1\C=N\NC(COc(cc2)ccc2Cl)=O,0.0
47936,CO-ADD:0301931,2.26,c1(cc(ccc1N2CCCCC2)[N+](=O)[O-])C(=O)Nc(cc3)cc(c3Oc4ccc(c5c4Cl)cccc5)Cl,0.0
47937,CO-ADD:0303719,2.26,S(c1ccccc1)(=O)(=O)N2CCCC2C(NCCCCc3ccccc3)=O,0.0
47938,CO-ADD:0302379,2.26,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2OC)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
47939,CO-ADD:0303613,2.26,N1(CC)c(ncnc2O)c2SC1=S,0.0
47940,CO-ADD:0304196,2.26,C(=O)(C(NCCOC)=O)Nc1ccccc1C,0.0
47941,CO-ADD:0304708,2.26,N1\C(=N\N=C/c2ccccc2OCc3ccc(cc3Cl)Cl)\SCC1=O,0.0
47942,CO-ADD:0300279,2.26,N1(c2ccccc2)C(=O)\C(=C\c(ccc(c3OC)OC)c3OC)\C(NC1=S)=O,0.0
47943,CO-ADD:0304494,2.26,C(=O)(Nc(cc1)ccc1C)C(C2CCCCC2)C(OCC)=O,0.0
47944,CO-ADD:0300315,2.26,N(c1ccc(cc1)OCC)(C2)C(=O)CC2C(=O)N(CC3)CCN3C(=O)C(CC(N4c5ccc(cc5)OCC)=O)C4,0.0
47945,CO-ADD:0304740,2.26,c1(Oc2ccc(cc2OC)C=O)cc(Cl)nnc1Cl,0.0
47946,CO-ADD:0300835,2.26,N1(CCC(O)=O)C(=O)\C(\SC1=S)=C\c2cccc(OC)c2OC,0.0
47947,CO-ADD:0304884,2.26,N(N)c(cc1)ccc1I.Cl,0.0
47948,CO-ADD:0300397,2.26,c12n(ncn1)C(C=C(c3ccc(cc3)OC)N2)c(cc4OC)cc(c4OC)OC,0.0
47949,CO-ADD:0305359,2.26,N1(CCCCCC1)CCC(=O)c2ccc(cc2)OCCC.Cl,0.0
47950,CO-ADD:0305285,2.26,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2C(=O)c(cc3)ccc3C#CC4(CCCCC4)O,0.0
47951,CO-ADD:0304352,2.26,n(nc(c12)ccc(non3)c13)(c(c4C)c(C)on4)n2,0.0
47952,CO-ADD:0301639,2.26,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)CC1c(cccc3[N+](=O)[O-])c3,0.0
47953,CO-ADD:0303832,2.26,S(C)(=O)(=O)NCC(C)(C)CNc(cc1)c(Cl)cc1[N+](=O)[O-],0.0
47954,CO-ADD:0302554,2.26,c1(c(C)non1)C(=O)N\N=C\c(cc(Cl)cc2Cl)c2O,0.0
47955,CO-ADD:0301449,2.26,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3cccc(OCC)c3,0.0
47956,CO-ADD:0304088,2.26,C(C(=O)c1ccc(cc1)C)(=C(O)C(N2Cc(cccn3)c3)=O)C2c4cc(OC)ccc4OC,0.0
47957,CO-ADD:0302125,2.26,N1(c2sccn2)C(=O)c3c(cccn3)C1=O,0.0
47958,CO-ADD:0307149,2.26,C(F)(F)(Cl)Oc(cc1)ccc1NC(CSc2cccc(cccn3)c23)=O,0.0
47959,CO-ADD:0305704,2.26,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(OCCC)=O)C2c3ccco3,0.0
47960,CO-ADD:0305578,2.26,c1(OCc(cc2)ccc2Br)c(OC)cc(cc1OC)C=O,0.0
47961,CO-ADD:0305593,2.26,S(N)(=O)(=O)c1c(C)cc(nc1Cl)Cl,0.0
47962,CO-ADD:0161629,2.26,c(ccc(n1)C)(c1)C(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
47963,CO-ADD:0161510,2.26,N1(CC(=O)Oc(cc2)ccc2OC(=O)CN3C(=O)CCC3=O)C(=O)CCC1=O,0.0
47964,CO-ADD:0160223,2.26,N=C(N1C2=CC=CC=C2)N(C3=CC=CC=C3)C(O)=CC1=O,0.0
47965,CO-ADD:0159882,2.26,O=C(C1=C2C=CC=C1N)N(C(C=C3)=CC=C3CC)C2=O,0.0
47966,CO-ADD:0159739,2.26,[O-][N+](C1=CC=CC(C2=NC3=C(S2)N=C(C4=CC([N+]([O-])=O)=CC=C4)S3)=C1)=O,0.0
47967,CO-ADD:0159737,2.26,O=C(C)N1C2C3=C(CCC2)C4=CC(C5CCCCC5)=CC=C4N3CC1,0.0
47968,CO-ADD:0307345,2.26,C(=S)(Nc1cccc(Cl)c1)N(Cc(cc2)ccc2N(C)C)Cc3ccco3,0.0
47969,CO-ADD:0156474,2.26,O=C(NC1=C/2C=CC=C1)C2=N\NC(CNC(C3=CC=CO3)=O)=O,0.0
47970,CO-ADD:0156482,2.26,[O-]C1=N[N+](C(C=C2)=CC=C2Cl)=NO1,0.0
47971,CO-ADD:0306039,2.26,S(=O)(=O)(N1CCCCC1)c2c(NCCCN(C)C)ccc(c2)[N+](=O)[O-],0.0
47972,CO-ADD:0156157,2.26,[O-][N+](C1=CC(N/C=C2C(N(C3=CC=CC=C3)N=C\2C)=O)=CC=C1)=O,0.0
47973,CO-ADD:0305678,2.26,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2CC)(C(=O)Nc3ccccc3OC)C1c4ccco4,0.0
47974,CO-ADD:0163783,2.26,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)C(CC(N1C(=O)c2ccc(cc2)F)(C)O)=N1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.0
47975,CO-ADD:0163928,2.26,N1(c2ccccc2OC)C(CSCC(=O)Nc(ccc(c34)cccc3)c4)=Nc(c5C1=O)cccc5,0.0
47976,CO-ADD:0163395,2.26,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(cc3)cc(c3OC(C)=O)OC,0.0
47977,CO-ADD:0163444,2.26,C(=O)(N\N=C\c1ccc(cc1O)O)c(ccc(c23)OCCO2)c3,0.0
47978,CO-ADD:0163384,2.26,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O)o1,0.0
47979,CO-ADD:0163933,2.26,S(c1ccccc1)(=O)(=O)N(CC(NCCNC(=O)CN(c2ccc(cc2C)Cl)S(c3ccccc3)(=O)=O)=O)c4ccc(cc4C)Cl,0.0
47980,CO-ADD:0155189,2.26,O=C(ON=C/1C)C1=C\C2=C(OCC)C=C(OCC)C=C2,0.0
47981,CO-ADD:0155197,2.26,[O-][N+](C1=CC(C(N2)=NC(C(C=C3)=CC=C3Br)=C2C4=CC=C(Br)C=C4)=CC=C1)=O,0.0
47982,CO-ADD:0157444,2.26,[O-][N+](C1=CC(C2=CC=C(C=C3C(NC(NC3=O)=O)=O)O2)=CC=C1)=O,0.0
47983,CO-ADD:0158037,2.26,O=C(C(C=C1)=CC=C1OCC2=CC=C(C=C2)Br)N/N=C\C3=CC(OC)=CC=C3OC,0.0
47984,CO-ADD:0157693,2.26,O=C(C(C=C1)=CC=C1C)N2CCN(CCNC(C(NC3=CC=C(C)C=C3)=O)=O)CC2,0.0
47985,CO-ADD:0156909,2.25,OC(N(N=C1C)C2=CC=CC=C2)=C1C(C(C=C3)=CC=C3C)C4=C(O)N(N=C4C)C5=CC=CC=C5,0.0
47986,CO-ADD:0161314,2.25,C(C#N)(C1c(ccc(c2[N+](=O)[O-])Cl)c2)=C(N)SC(N)=C1C#N,0.0
47987,CO-ADD:0303296,2.25,S(=O)(=O)(c1ccc(cc1)CCNC(=O)c(ccc(c23)C(=O)c4c(cccc4)C2=O)c3)N5CCCCC5,0.0
47988,CO-ADD:0161075,2.25,s1c(\C=N\NC(COc2cccc(C)c2)=O)ccc1Br,0.0
47989,CO-ADD:0161515,2.25,c1([N+](=O)[O-])c(OC(=O)Oc2ccccc2)c(Cl)cc(OC(=O)S3)c13,0.0
47990,CO-ADD:0303280,2.25,c(ccc1C(=O)N(CC2)CCO2)(C(=O)N(CC3)CCO3)s1,0.0
47991,CO-ADD:0303585,2.25,c(Nc1ccccc1)(nc(OCC)nc2NC3CCCC3)n2,0.0
47992,CO-ADD:0301294,2.25,c1(N)c(Br)cc(cc1Br)Cc(cc2)ccn2,0.0
47993,CO-ADD:0301262,2.25,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc(c3OCC)OCC=C)c3,0.0
47994,CO-ADD:0163557,2.25,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c3ccco3,0.0
47995,CO-ADD:0303598,2.25,C(C#N)(C(c1ccccc1OCC)C(C#N)C(N2)=O)=C2SCC(OC)=O,0.0
47996,CO-ADD:0163285,2.25,N(=C(/C)\c1ccc(cc1)Cl)/NC(CNc2ccccc2C)=O,0.0
47997,CO-ADD:0304809,2.25,c12c(n(c(Sc3nc(c4n3Cc5c(C)ccc(cccc6)c56)cccc4)n1)C)C(N(C)C(=O)N2C)=O,0.0
47998,CO-ADD:0301104,2.25,C1(C(OCC)=O)=NN(C(c2c3c([nH]c2)cccc3)N1c4ccc(cc4)C)c5ccc(cc5)Cl,0.0
47999,CO-ADD:0300304,2.25,N(C)(C(=O)C(Cc1sccc1C)C(N2C)=O)C2=O,0.0
48000,CO-ADD:0301128,2.25,n1(c2)c(ccc(CC)c1)cc2c3ccccc3,0.0
48001,CO-ADD:0305325,2.25,C(/COc(c12)cc(cc1)OC)(=C/c3cccs3)\C2=O,0.0
48002,CO-ADD:0305286,2.25,N1(Cc(c2)nc(n23)ccc(C)c3)C(=O)c4c(cccc4)C1=O,0.0
48003,CO-ADD:0305350,2.25,C(=C\c1ccccc1)(/NC(=O)c2ccccc2Br)\C(=O)N(CC3)CCO3,0.0
48004,CO-ADD:0302847,2.25,[N+](=O)([O-])c1ccc(cc1)CC(NC(C)=O)C(O)=O,0.0
48005,CO-ADD:0302652,2.25,n1(cccc1C=O)c2cccc(Br)c2,0.0
48006,CO-ADD:0302692,2.25,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(c4)c(C)n(n4)C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
48007,CO-ADD:0303752,2.25,N1(c2ccccc2OC)C(=O)NC(\C(=C/c3c(OC)ccc(cccc4)c34)\C1=O)=O,0.0
48008,CO-ADD:0303478,2.25,[nH]1c(SCC(=O)Nc(cc2)ccc2OC)nc3c1ncnc3N,0.0
48009,CO-ADD:0302564,2.25,C(C(OCCC)=O)(C1c2ccc(cc2)SC)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
48010,CO-ADD:0303927,2.25,C(C(OCC)=O)(=CN(c1ccc(cc1)F)C=C2C(OCC)=O)C2c3ccc(C)s3,0.0
48011,CO-ADD:0303978,2.25,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc(cc3)ccc3NC(C)=O,0.0
48012,CO-ADD:0303866,2.25,C(F)(F)(F)c(ccc(c1\N=C\c2cccc(OCC)c2O)N(C)C)c1,0.0
48013,CO-ADD:0306948,2.25,c1(N(C)C)nc(OCC(F)(F)F)nc(Nc(cc2)ccc2OC(F)(F)F)n1,0.0
48014,CO-ADD:0307588,2.25,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc(cc3)ccc3c4csc(C)n4,0.0
48015,CO-ADD:0311870,2.25,c12c(c(n[nH]1)c3ccc(cc3)C)C(N(c4ccc(cc4)F)C2=O)c5ccc(cc5OC)OC,0.0
48016,CO-ADD:0307644,2.25,c1(c2)c(cc(OC)c2NC(COc(cc3)ccc3CC)=O)c4c(cccc4)o1,0.0
48017,CO-ADD:0306891,2.25,c1(NC(COc2ccc(cc2Cl)Cl)=O)nc(CCCCC)c(c(c3ccccc3)c1C#N)CCCC,0.0
48018,CO-ADD:0159913,2.25,O=C(C1=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=CC=C31)N(C4=NC=CS4)C3=O,0.0
48019,CO-ADD:0312560,2.25,C1=C[C@@](C2)([C@]([C@@](C(C(OC)=O)=C3C(OC)=O)(O[C@@H]34)CO2)([C@]45[H])[H])O[C@H]15,0.0
48020,CO-ADD:0159757,2.25,N#CC1(C#N)C(N)=C(C2=CCN(CCC)C[C@@]2([H])[C@]1([H])C(C=CC=C3)=C3F)C#N,0.0
48021,CO-ADD:0305737,2.25,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3cccc(Cl)c3,0.0
48022,CO-ADD:0160066,2.25,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C3C(NC4=C\3C=CC=C4)=O)=NC(N(CCCC)CCCC)=N2)=O,0.0
48023,CO-ADD:0311289,2.25,C(=C\c1ccco1)(/NC(=O)c2ccc(cc2Cl)Cl)\C(=O)Nc3ccccc3,0.0
48024,CO-ADD:0305740,2.25,C1(=COc(c2C1=O)cccc2)C3Nc4c(NC(CC(c5ccccc5Cl)CC6=O)=C36)cccc4,0.0
48025,CO-ADD:0154852,2.25,[O-][N+](C1=CC(/C=N/C2=C(C3=CC=CO3)N=C4C=CC=CN24)=C(Cl)C=C1Cl)=O,0.0
48026,CO-ADD:0311180,2.25,C(=O)(Nc1cccc(C)n1)Nc2cccc(C)n2,0.0
48027,CO-ADD:0307207,2.25,c1(c2CCCC1=O)c(CC(Cl)(Cl)Cl)c(n2c3ccc(cc3)F)C,0.0
48028,CO-ADD:0156165,2.25,O=C(C1=CNC2=CC=C(C=C2)C(O)=O)NC(NC1=O)=O,0.0
48029,CO-ADD:0305912,2.25,c1(NC(COc2ccccc2C)=O)sc(c3c1C(N)=O)CCCC3,0.0
48030,CO-ADD:0156365,2.25,[O-][N+](C1=CC(C2=CC=C(C=C3C(NC(NC3=O)=O)=O)O2)=C(C)C=C1C)=O,0.0
48031,CO-ADD:0312620,2.25,c(cc1c(C(C(CC(=O)N(C\C=C\c2ccccc2)c3ccc(Br)cc3)C(=O)O)C4C(C1C(=O)O)C(=O)N(c5ccc(Br)cc5)C4)c6)c6,0.0
48032,CO-ADD:0312558,2.25,c1cc(c(N2C3C(Cc(occ4)c4[C@H]5C(O)=O)[C@@H]5C2=O)cc1)C(=O)N3Cc6ccccc6,0.0
48033,CO-ADD:0312567,2.25,C1=C[C@]2(O[C@H]13)[C@]([C@@](CSC2)(C(C4=O)C5C(=O)N4c6ccccc6)O[C@@H]57)([C@@]37[H])[H],0.0
48034,CO-ADD:0163493,2.25,c1(cc(Cl)cc(\C=N\NC(COc2ccc(cc2Br)OC)=O)c1O)[N+](=O)[O-],0.0
48035,CO-ADD:0163377,2.25,C(=N\NC(COc1ccc(cc1Br)OC)=O)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
48036,CO-ADD:0311382,2.25,c(n1)(c2)c(ccc2C(=O)Nc3ccccc3C(O)=O)ns1,0.0
48037,CO-ADD:0310952,2.25,N1(c2cccc(Cl)c2)N=C(\C(=C/c(cc3)ccc3OCc4ccccc4F)\C1=O)C,0.0
48038,CO-ADD:0163777,2.25,N(/c(cc1)ccc1C)=C\c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
48039,CO-ADD:0305755,2.25,c(Nc(cc1)ccc1C)(nc(Cl)nc2NC3CCCCC3)n2,0.0
48040,CO-ADD:0303583,2.25,c(Nc(cc1)ccc1Cl)(nc(OC)nc2Nc3ccccc3)n2,0.0
48041,CO-ADD:0303567,2.25,c1(N(CC)CC)nc(Cl)nc(Cl)n1,0.0
48042,CO-ADD:0158033,2.25,O=C(NC(C=C1)=CC=C1C)CCN2CCN(C3=CC=CC=C3)CC2.Cl,0.0
48043,CO-ADD:0158081,2.24,[O-][N+](C1=CC=C(COC2=CC=C(C=C2)/C=N/C3=CC=C(C=C3)C(OC)=O)C=C1)=O,0.0
48044,CO-ADD:0304348,2.24,n1c2c(cccc2)ccc1N\N=C\c(ccc(c3OC)OCc4ccccc4)c3,0.0
48045,CO-ADD:0302663,2.24,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc2ccccc2)SCc3ccccc3,0.0
48046,CO-ADD:0302795,2.24,n1c(c2ccc(cc2)F)nnn1CC(=O)Nc(cc3)ccc3C(OCC)=O,0.0
48047,CO-ADD:0302788,2.24,[nH]1c2c(nc1SCc(ccc(c3Cl)Cl)c3)cccn2,0.0
48048,CO-ADD:0301638,2.24,c1(NC(Cc(cc2)ccc2Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccc(cc3OC)OC,0.0
48049,CO-ADD:0302945,2.24,N(C(C)=O)(N1C)C(c2ccc(c3c2)OCO3)N(N=C1C(OCC)=O)c4ccccc4,0.0
48050,CO-ADD:0301838,2.24,c1(C(=O)Nc2ccccc2OCC)c3c(sc1NC(=O)c4ccco4)CC(C)CC3,0.0
48051,CO-ADD:0301670,2.24,C1(c2ccccc2[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(cc3)ccc3Br,0.0
48052,CO-ADD:0301240,2.24,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2ccc(cc2)OCCC,0.0
48053,CO-ADD:0302704,2.24,c(c1C(C)C)(C2c(cc3)ccc3[N+](=O)[O-])c([nH]n1)OC(N)=C2C#N,0.0
48054,CO-ADD:0163037,2.24,c1(NC(C)=O)c(CC)c(c(C(C)=O)s1)C,0.0
48055,CO-ADD:0304658,2.24,c12c(c3c(cccc3)OC1=O)nc(c(ccc(c4Cl)Cl)c4)nc2NC(C)=O,0.0
48056,CO-ADD:0304783,2.24,c1(scc(c2ccc(cc2)C)n1)\C(\C#N)=C(/CCC(C3)C)\C3,0.0
48057,CO-ADD:0305272,2.24,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC)CC)n2)CC(=O)c3cccc(OC)c3,0.0
48058,CO-ADD:0304502,2.24,c1(cccc(nsn2)c12)S(NCCCC(O)=O)(=O)=O,0.0
48059,CO-ADD:0305016,2.24,N1(\N=C\c(cc2)ccc2Cl)C(c3ccc(cc3)Cl)Nc4c(ccc(c4)[N+](=O)[O-])C1=O,0.0
48060,CO-ADD:0304608,2.24,c([nH]nn1)(c2ccccc2F)n1,0.0
48061,CO-ADD:0301680,2.24,C(=O)(c1ccccc1NC(=O)c2ccc(cc2)C)N3CCCCC3C,0.0
48062,CO-ADD:0302602,2.24,C(=O)(N\N=C\c1ccco1)C(C)Nc(cc2)ccc2Cl,0.0
48063,CO-ADD:0302446,2.24,c1(c(cccc1Cl)F)CN(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3CC,0.0
48064,CO-ADD:0304299,2.24,n(C(c1ccccc1)C=C(N2)c3ccc(cc3)C)(nnn4)c24,0.0
48065,CO-ADD:0302665,2.24,N1=C(Cl)c(cccc2)c2\C(=N\N=C\c(cc3)ccc3Br)\N1,0.0
48066,CO-ADD:0306863,2.24,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)OC(c4c(cccc4)OC5=O)=C25,0.0
48067,CO-ADD:0312207,2.24,N1(Cc(ccc(c23)OCO2)c3)\C(=N/c(cc4)ccc4F)\SC(C(=O)Nc(cc5)ccc5F)CC1=O,0.0
48068,CO-ADD:0307068,2.24,c1(cc(F)c(cc1Br)F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
48069,CO-ADD:0312152,2.24,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(=O)(=O)Nc4nc(C)cc(C)n4)n1)c5c(cccc5)n2C,0.0
48070,CO-ADD:0312119,2.24,c12c(C(N(C)C(=O)N1C)=O)n(c(O)n2)Cc3ccc(cc3Cl)Cl,0.0
48071,CO-ADD:0305432,2.24,C(=C/c(cc1OC)cc(c1O)Br)(/C2=O)\C(=O)OC3(CCCCC3)O2,0.0
48072,CO-ADD:0305424,2.24,n(ccn1CCCNC(=O)C(NCCCC)=O)c1,0.0
48073,CO-ADD:0305546,2.24,[N+](=O)([O-])c1c(NCCNC(=O)c2ccccc2Br)ccc(Cl)c1,0.0
48074,CO-ADD:0312125,2.24,C(C(OC)=O)(NC(CC)=O)(C(F)(F)F)Nc1scc(C2CC2)n1,0.0
48075,CO-ADD:0306218,2.24,N1(c2ccc(cc2)Br)C(=O)\C(\SC1=N)=C\c(cc3OC)cc(c3OCC(O)=O)Br,0.0
48076,CO-ADD:0307589,2.24,N1(CCN2CCCCC2)C(=O)C3C(CC(=CC3)Cl)C1=O.Cl,0.0
48077,CO-ADD:0160101,2.24,O=S(N1CCOCC1)(C2=CC=C(C(C(OC3=CC(C)=C(C)C=C3)=O)=C2)Cl)=O,0.0
48078,CO-ADD:0161302,2.24,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2ccccc2C(F)(F)F,0.0
48079,CO-ADD:0306882,2.23,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c(cc4OC)cc(c4O)OC,0.0
48080,CO-ADD:0161135,2.23,c(\C=N\NC(=O)c1ccc(cc1)OCc2cccc(OC)c2)(cc(OC)c(c3)OC)c3OC,0.0
48081,CO-ADD:0311349,2.23,n(c1c(CCCC1)cc2C#N)c2SCC(NCCc3ccccc3)=O,0.0
48082,CO-ADD:0311738,2.23,c1(NC(=O)c2ccccc2[N+](=O)[O-])nnnn1\N=C\c(cc3)ccc3F,0.0
48083,CO-ADD:0154784,2.23,O=C(C1=C2C=CC(C(O)=O)=C1)N(C(C=C3)=CC=C3C(OCC(C)C)=O)C2=O,0.0
48084,CO-ADD:0311771,2.23,c1(N(C)C2=O)c(n(cn1)Cc3ccccc3)C(N2Cc4cccc(I)c4)=O,0.0
48085,CO-ADD:0154924,2.23,N#CC1=C(N)OC(NC(N2)=O)=C(C1C3=CC(Cl)=C(Cl)C=C3)C2=O,0.0
48086,CO-ADD:0306151,2.23,c1(cn[nH]c1C(=O)NCc2ccccc2)[N+](=O)[O-],0.0
48087,CO-ADD:0156213,2.23,OC1=C(C=CC=C1)C(NC2=CC=CC=C23)OC3(C4=CC=CC=C4)C5=CC=CC=C5,0.0
48088,CO-ADD:0156418,2.23,O=C(C1=CC=CC(F)=C1)N/N=C/C2=CC=C(SCC(NC3=CC=CC=C3)=O)O2,0.0
48089,CO-ADD:0155645,2.23,O=C1N(C2=CC=CC(C(O)=O)=C2)C(C3C(C4=C5C=CC=C4)C6=C(C=CC=C6)C5C13)=O,0.0
48090,CO-ADD:0156246,2.23,O=C(C1=C2N)N(C(C=C3)=CC=C3C(O)=O)C(C1=CC=C2)=O,0.0
48091,CO-ADD:0156270,2.23,ClC1=C(C)C(/C=N/C2=CC=CC(Cl)=C2Cl)=C(O)C(Br)=C1C,0.0
48092,CO-ADD:0155594,2.23,BrC1=CC=C(C=C1)/C=N/C2=NC(C3=C4C=CC=C3)=C(C=C4)S2,0.0
48093,CO-ADD:0163417,2.23,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c(cc2)ccc2C,0.0
48094,CO-ADD:0312058,2.23,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(=O)Nc2ccccc2,0.0
48095,CO-ADD:0163457,2.23,C(=O)(Oc1ccc(cc1\C=N\NC(COc2cccc(C)c2)=O)Br)c3ccco3,0.0
48096,CO-ADD:0162667,2.23,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCc3cccc(Br)c3)c4ccccc4,0.0
48097,CO-ADD:0162231,2.23,c1(N(CC2)CCN2C)nc(N\N=C(/C)\c(cc3)ccc3[N+](=O)[O-])nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
48098,CO-ADD:0157700,2.23,N#CC1(C#N)[C@]2([H])N([C@H](C(C3=CC=CC=C3)=O)[C@H]1C4=CC=CC=C4)C(C=CC=C5)=C5C=C2,0.0
48099,CO-ADD:0156900,2.23,O=C(C)N(C(C)(C)O1)N=C1C2=CC(OC)=CC=C2,0.0
48100,CO-ADD:0157404,2.23,O=C(O/N=C/C1=CC=C(OC)C=C1)NC(C=C2)=CC=C2C,0.0
48102,CO-ADD:0155246,2.23,N#CC1=C(N)SC(N)=C(C#N)C1C2=CC(C)=CC=C2C,0.0
48103,CO-ADD:0301370,2.23,c(c1c(cccc1)c(c23)cccc2)(nc(cc4C#N)c(n5)cc4C#N)c35,0.0
48104,CO-ADD:0303765,2.23,C1(C(=O)CSc2nc(CCC3)c3c(CC)c2C#N)=Cc4c(OC1=O)ccc(cccc5)c45,0.0
48105,CO-ADD:0161616,2.23,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cc3OCC)cc(c3O)I,0.0
48106,CO-ADD:0161124,2.23,N(CC(=O)N\N=C\c(ccc1c2ccc(cc2Cl)[N+](=O)[O-])o1)(c(cccc3)c34)c(cccc5)c5C4=O,0.0
48107,CO-ADD:0161132,2.23,c1(OC)c(OC)ccc(\C=N\NC(COc2c(C)ccc(C(C)C)c2)=O)c1OC,0.0
48108,CO-ADD:0161516,2.23,n1(c2c(nc1SC)cccc2)C(OC)=O,0.0
48109,CO-ADD:0303128,2.23,c1(NC(=O)C(C)Oc2c(Cl)ccc(Cl)c2)sc3c(CCC(C(C)(C)C)C3)c1C(OC)=O,0.0
48110,CO-ADD:0303915,2.23,C(C(OCC)=O)(=CN(c1ccc(cc1)F)C=C2C(OCC)=O)C2c3ccc(c(Cl)c3)Cl,0.0
48111,CO-ADD:0303878,2.23,N1C(c2cccc(I)c2)SCC1C(O)=O,0.0
48112,CO-ADD:0303843,2.23,N1(c2ccccc2C)CC(CC1=O)C(=O)Nc(ccc(c3[N+](=O)[O-])F)c3,0.0
48113,CO-ADD:0301136,2.23,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cc(Br)ccc5OC)cccc4,0.0
48114,CO-ADD:0301161,2.23,C1(O)(C(F)(F)F)CC(=NN1C=O)c2ccccc2,0.0
48115,CO-ADD:0301169,2.23,N1(C(C)=O)N=C(SC1c(cccc2[N+](=O)[O-])c2)N,0.0
48116,CO-ADD:0301042,2.23,N(c1ccccc1Br)=Nc(ccc(c2C=O)O)c2,0.0
48117,CO-ADD:0301122,2.23,c1(c2ccc(cc2)NCc3cccc(OCC)c3OCc4ccccc4Cl)sc(c5n1)cccc5,0.0
48118,CO-ADD:0305351,2.23,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(c4c3)OCO4)=C(O)C(N2CCCCCC(O)=O)=O,0.0
48119,CO-ADD:0304853,2.22,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc4ccccc4)c5ccccc5,0.0
48120,CO-ADD:0304870,2.22,c12c(n(c(N\N=C\c(ccc(c3OC)O)c3)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
48121,CO-ADD:0304288,2.22,c12c(c(ccc1N3CCCCC3)N=Nc(cc4)ccc4N(C)C)C(c5c(cccc5)C2=O)=O,0.0
48122,CO-ADD:0303052,2.22,C1(CCCC1)(c(cc2)cc(c2Oc(ccc(c3C#N)C#N)c3)C)c(cc4)cc(c4Oc(ccc(c5C#N)C#N)c5)C,0.0
48123,CO-ADD:0301944,2.22,N1(c2ccc(cc2)Cl)C(c3ccccn3)Nc(c4C1=O)cccc4,0.0
48124,CO-ADD:0303271,2.22,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3c(cc4)c(Cl)cc4[N+](=O)[O-],0.0
48125,CO-ADD:0302917,2.22,N1(c2ccc(c(C)c2)C)C(c3cccs3)N(N=C1C(C)=O)c4ccc(cc4)Cl,0.0
48126,CO-ADD:0302848,2.22,N1(c(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4C(OC)=O)c2)C(=O)C5C(C6CC5C=C6)C1=O,0.0
48127,CO-ADD:0311011,2.22,C(=O)(N1CCC(CC1)C(OCC)=O)c2ccccc2NC(=O)c3cccc(F)c3,0.0
48128,CO-ADD:0312013,2.22,N(CC(COc1ccccc1)OC2c3ccc(cc3Cl)Cl)(C(c4ccccc4)=O)O2,0.0
48129,CO-ADD:0311871,2.22,C(C)(C)(C(=O)OC(C1(C)C)c2ccccc2F)C1=O,0.0
48130,CO-ADD:0305753,2.22,c1(Nc(cc2)ccc2OC)nc(Cl)nc(NCCC3=CCCCC3)n1,0.0
48131,CO-ADD:0306973,2.22,c1(C2c3ccc(cc3)OCc4ccccc4F)c([nH]nc1c5ccc(cc5)OCCCC)OC(N)=C2C#N,0.0
48132,CO-ADD:0306949,2.22,c12n(ccc(N=NN=P(N(CC)CC)(N(CC)CC)N(CC)CC)n1)nnn2,0.0
48133,CO-ADD:0157152,2.22,O=C(C/C(C)=N/NC(C(C=C1)=CC=C1C)=O)NC2=C(C)C=C(C)C=C2C,0.0
48134,CO-ADD:0157479,2.22,O=C(C1=CC=CC(Br)=C1)N(C(C)=C2)N=C2C,0.0
48135,CO-ADD:0312037,2.22,N1(c2ccc(cc2)OCC)C(=O)CC(N(CCc(ccc(c3OC)OC)c3)C(CC)=O)C1=O,0.0
48136,CO-ADD:0160248,2.22,O=C(OC(C)(C)C)N/N=C(C1=CC=CC=C1)\C=C\C2=CC=CC=C2,0.0
48137,CO-ADD:0306873,2.22,c1(c2C(C)C)c([nH]n2)OC(=C(C#N)C13CCN(CC3)Cc4ccccc4)N,0.0
48138,CO-ADD:0311582,2.22,c1(ncnc(cccc2)c12)N(CC3)CCN3C(C)=O,0.0
48139,CO-ADD:0160264,2.22,O=C(N/N=C/C1=CC=C(C=C1)Br)CN2N=NC3=C2C=CC=C3,0.0
48140,CO-ADD:0155963,2.22,[O-][N+](C1=C(C)C(Cl)=C(C)C(/C=N/C2=CC=C(C=C2)C3=NC(C=C4C(C)CCC)=C(C=C4)O3)=C1O)=O,0.0
48141,CO-ADD:0307272,2.22,c1(C2c(cc(OCC)c(c3[N+](=O)[O-])O)c3)c([nH]nc1c(cc4OC)cc(c4OC)OC)OC(N)=C2C#N,0.0
48142,CO-ADD:0307456,2.22,S(NCCCC)(=O)(=O)c1c(Cl)cc(c(Cl)c1)Cl,0.0
48143,CO-ADD:0154823,2.22,O=S(C1=CC=C(C([N+]([O-])=O)=C1)C)(OC(C=C2)=CC=C2/C=N/C3=CC=C(C=C3)C(N/N=C/C4=CC=C(C=C4)OS(C5=CC=C(C([N+]([O-])=O)=C5)C)(=O)=O)=O)=O,0.0
48144,CO-ADD:0311633,2.22,c12c(n(cn1)CCC\N=C(/CCCC3)\N3C)C(N(C)C(=O)N2C)=O.Cl,0.0
48145,CO-ADD:0154831,2.22,O=S(N/N=C(C)/C1=C(O)C(C=CC=C2)=C2OC1=O)(C3=CC=C(C)C=C3)=O,0.0
48146,CO-ADD:0305668,2.22,C(=C(C)NC(=C1C#N)SCC(OCCCC)=O)(C(=O)Nc2ccccc2C)C1c3ccccc3,0.0
48147,CO-ADD:0154855,2.22,NC1=C(C(OCC(Cl)=C(Cl)Cl)=O)SC2=C1C=CC(C3=CC=CC=C3)=N2,0.0
48148,CO-ADD:0158734,2.22,O=C(C)CSC1=NC(C=C2)=C(C=C2OCC)S1,0.0
48149,CO-ADD:0155602,2.22,O=C(C1=CC=CC=C1)NC2=CC=C(C=C2)C(COC(C3=CC=C(N)C=C3)=O)=O,0.0
48150,CO-ADD:0156251,2.22,ClC1=CC(Cl)=CC(/C=N/C2=CC=C(Br)C=C2)=C1O,0.0
48151,CO-ADD:0156443,2.22,O=C(C1=CC=CC2=C1C=CC=C2)NC(C=C3)=CC=C3OCC(F)(F)C(F)F,0.0
48152,CO-ADD:0156123,2.22,O=C(N/N=C/C1=CC(OCO2)=C2C=C1)C(NC3=CC=CC(Cl)=C3C)=O,0.0
48153,CO-ADD:0155835,2.22,[O-][N+](C(C=C1)=CC=C1C(N2)=C(C(C=C3)=CC=C3OC4=CC=C(C=C4)C5=C(C6=CC=C(C=C6)[N+]([O-])=O)N=C(C7=CC=CC=C7)N5)N=C2C8=CC=CC=C8)=O,0.0
48154,CO-ADD:0312091,2.22,C1(=O)Nc2c(Oc(cc(cc3Oc4cccc(OC)c4)[N+](=O)[O-])c13)cccc2,0.0
48155,CO-ADD:0162552,2.22,N1c(cccc2)c2C(OC1c(cc3)ccc3N(C)C)(CC)CC,0.0
48156,CO-ADD:0162283,2.21,[N+](=O)([O-])c1cccc(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c1O,0.0
48157,CO-ADD:0311381,2.21,c(C(O)=O)(s1)c(OCCO2)c2c1C(O)=O,0.0
48158,CO-ADD:0162187,2.21,c1(\C=N\NC(COc(cc2)ccc2I)=O)cc(Br)ccc1OC,0.0
48159,CO-ADD:0307243,2.21,c1(C(=O)Nc(cc2)ccc2C)c(Cl)c(Cl)c(nc1Cl)Cl,0.0
48160,CO-ADD:0155262,2.21,O=S(N1C(OCC)C(N(S(=O)(C2=CC=CC=C2)=O)CC1)OCC)(C3=CC=CC=C3)=O,0.0
48161,CO-ADD:0155279,2.21,O=C(CC)OC1=C(C=CC=C1)/C=N/C2=CN=C3C(C=CC=C3)=C2,0.0
48162,CO-ADD:0155056,2.21,[O-][N+](C1=CC(/C(C2(C[N@]3C4)C[N@]4C[N@](C3)C2)=N\N)=CC=C1)=O,0.0
48163,CO-ADD:0155737,2.21,O=P1(CCl)OC(CC1)=O,0.0
48164,CO-ADD:0155209,2.21,OC(C=C1)=C(C=C1/N=C/C2=CC=C(C(C=C3)=CC=C3F)O2)C4=NC5=CC=CC=C5S4,0.0
48165,CO-ADD:0155249,2.21,O=C(NC1=NC(C2=CC(F)=C(F)C=C2)=CS1)C3=C(Cl)C=C(F)C(F)=C3,0.0
48166,CO-ADD:0161260,2.21,C1(\N=C\c2[nH]c(c3n2)cccc3)=C(C)N(N(c4ccccc4)C1=O)C,0.0
48167,CO-ADD:0159863,2.21,O=C(O)C1=C(NCCC(O)=O)C(C=CC=C2)=C2N=C1,0.0
48168,CO-ADD:0161497,2.21,N1C(=O)\C(\NC1=O)=C/c2ccccc2,0.0
48169,CO-ADD:0161281,2.21,c1(SCC(=O)CC(OCC)=O)nc(cc(C)c1C#N)C(F)(F)F,0.0
48170,CO-ADD:0302752,2.21,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(c(cccc4)c4n5Cc(cc6)ccc6Br)c5)\C1=O,0.0
48171,CO-ADD:0304064,2.21,c1(Nc(cc2)ccc2OC(F)(F)Cl)nc(OC)nc(OC)n1,0.0
48172,CO-ADD:0303088,2.21,C(=O)(Nc(cc1)ccc1CN2CCCC2)c(cc3OC)cc(c3OC)OC,0.0
48173,CO-ADD:0301822,2.21,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c3c(C)cc(c(C(C)C)c3)OC,0.0
48174,CO-ADD:0303961,2.21,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5ccc(c(OC)c5)OC)cccc4,0.0
48175,CO-ADD:0300274,2.21,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(ccc(c34)OCO3)c4)\C1=O)=O,0.0
48176,CO-ADD:0300891,2.21,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc(cc4)ccc4C(C)C,0.0
48177,CO-ADD:0301011,2.21,C1(Nc(cccc2)c2C(=O)N1)(c3c(N4CC(=O)N(CC)CC)cccc3)C4=O,0.0
48178,CO-ADD:0304540,2.21,C1(=C(C#N)C23CCCCC2)N(C4=C(CCCC4)S1)C(=C3C(=O)Nc5ccccc5)C,0.0
48179,CO-ADD:0304893,2.21,N(N)c(cc1)ccc1CC.Cl,0.0
48180,CO-ADD:0300949,2.21,N1(c2ccc(cc2)OCC(C)C)CC(CC1=O)C(=O)Nc(cccc3[N+](=O)[O-])c3,0.0
48181,CO-ADD:0300677,2.21,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=C3C1c4ccccc4C(F)(F)F)CCCC3=O,0.0
48182,CO-ADD:0303198,2.21,c12c(n(c(NCCc(ccc(c3OC)OC)c3)n1)C)C(N(C)C(=O)N2C)=O,0.0
48183,CO-ADD:0302378,2.21,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2Cl)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
48184,CO-ADD:0301613,2.21,c12c(C(NC=N1)=O)c3c(CCC3)s2,0.0
48185,CO-ADD:0302933,2.21,C1(C(OCC)=O)=NN(C(c2ccc(c(OC)c2)OC)N1c3ccc(c(Cl)c3)N(CC4)CCO4)c5ccc(cc5)Cl,0.0
48186,CO-ADD:0303512,2.21,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)OC(C)=O)cccc4,0.0
48187,CO-ADD:0302851,2.2,c1(c(ccc(c1)C(F)(F)F)Oc2cccc(c2)\N=C\c3cc(OC)ccc3O)[N+](=O)[O-],0.0
48188,CO-ADD:0301903,2.2,c1(c2c(sc1NC(=O)C(C)(C)C)CCCCC2)C(=O)Nc3ccccc3OCC,0.0
48189,CO-ADD:0302723,2.2,N1(c2ccc(cc2)OC(Cl)(F)F)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
48190,CO-ADD:0310795,2.2,c1(SCCOc2ccccc2F)n(c3ccccc3)c(c(c4ccccc4)n1)c5ccccc5,0.0
48191,CO-ADD:0311800,2.2,N(CC1)(CCN1c2ccc(cc2F)C(CCC)=O)C(C)=O,0.0
48192,CO-ADD:0157631,2.2,O=C(N1CCOCC1)[C@@H]2[C@H]([C@@H](C(N/N=C/C3=CC=C(C=C3)N(CC)CC)=O)[C@@H]2C4=CC=CC=C4)C5=CC=CC=C5,0.0
48193,CO-ADD:0306941,2.2,C1(C2c(cc(OCC)c(c3[N+](=O)[O-])OC(=O)N(CC4)CCO4)c3)=C(c5c(cccc5)OC1=O)OC(N)=C2C#N,0.0
48194,CO-ADD:0157859,2.2,OC1=CC(/C=N/NC2=NC(N3CCOCC3)=NC(NC(C=C4)=CC=C4OC)=N2)=CC=C1,0.0
48195,CO-ADD:0157572,2.2,N#C/C(C(SCC1=CC=CC=C1)=N)=N\NC2=CC=CC=C2,0.0
48196,CO-ADD:0307397,2.2,c1(noc(COc(cc2)ccc2F)n1)c3nonc3N,0.0
48197,CO-ADD:0157472,2.2,O=C1C2=C(C3=C1C=CC=C3)C(C4=C5C=CC=C4)=C(C=C5)N=C2C6=CC(Br)=CC=C6,0.0
48198,CO-ADD:0156011,2.2,O=C(/C1=N\CCCCCCCCCCCCCCCC)N(C2=C1C=CC=C2)C(C3=CC=CC=C3C(O)=O)=O,0.0
48199,CO-ADD:0307285,2.2,N(CC1)(CCN1c(cc2)c(F)cc2C(c3ccccc3)=O)C(OCC)=O,0.0
48200,CO-ADD:0160681,2.2,O=C(N/N=C/C1=CC=C2OCOC2=C1)C(C=C3)=CC=C3OCC4=CC(OC)=CC=C4,0.0
48201,CO-ADD:0311429,2.2,N1(Cc2ccccc2)C(c(cc3)ccn3)=NN(CO)C1=S,0.0
48202,CO-ADD:0160225,2.2,[O-][N+](C1=CC=C(/C(C)=N/NC(C(C=C2)=CC=C2F)=O)O1)=O,0.0
48203,CO-ADD:0160257,2.2,BrC(/C=N\NC1=NC(N2CCOCC2)=NC(N3CCCC3)=N1)=C/C4=CC=CC=C4,0.0
48204,CO-ADD:0306314,2.2,N(C(=O)c(cc1)ccc1C(F)(F)F)c2sccn2,0.0
48205,CO-ADD:0305997,2.2,N1(c2ccc(c(Cl)c2)Cl)CC(CC1=O)C(NCCc3ccccc3)=O,0.0
48206,CO-ADD:0312469,2.2,[C@@H]12O[C@@]3(C=C1)[C@@H]([C@@H]2C(=O)O)C(N(C3)Cc4ccccc4)=O,0.0
48207,CO-ADD:0312563,2.2,C1=C[C@]2(O[C@H]13)[C@]([C@@](CN(C2)C(c4ccccc4)=O)(C(=C5C(OC)=O)C(OC)=O)O[C@@H]56)([C@@]36[H])[H],0.0
48208,CO-ADD:0312571,2.2,C1CC[C@]([C@]2(C3C4=O)O[C@H](C=C2)[C@@H]3C(=O)O)([H])N14,0.0
48209,CO-ADD:0312531,2.2,c1(ccc(Br)cc1)S(N2C[C@](O[C@H]3C4)(C=C3)[C@@H]4C2)(=O)=O,0.0
48210,CO-ADD:0158751,2.2,O=C(C1=CC=CC(Br)=C1)OC(C(OC)=C2)=CC=C2/C=N/NC(CNC(C3=CC(OC)=C(OC)C(OC)=C3)=O)=O,0.0
48211,CO-ADD:0155648,2.2,O=C(C1=CC=CC(N)=C1)N(C(C=C2)=CC=C2C)C3=CC(C=CC=C4)=C4C=C3,0.0
48212,CO-ADD:0305588,2.2,N1(CC(OCC)=O)C(=O)c2c(C(c3ccc(cc3)C)=N1)cccc2,0.0
48213,CO-ADD:0306182,2.2,c1(C(C)=O)c(ccnc1C(F)(F)F)N(C)C,0.0
48214,CO-ADD:0156319,2.2,O=S(N1CCOCC1)(C2=CC=C(C(C(OC3=C4N=CC=CC4=CC=C3)=O)=C2)Cl)=O,0.0
48215,CO-ADD:0162668,2.2,c(C#N)(c1c2cccs2)c(SCc3c(cccc3F)Cl)nc(N)c1C#N,0.0
48216,CO-ADD:0162684,2.2,C1(C2c3ccc(c4c3)OCO4)=C(c5c(cccc5)OC1=O)OC(N)=C2C#N,0.0
48217,CO-ADD:0162604,2.2,C(C(OCC)=O)(C1c2ccc(cc2)OC)=C(CSc3nc(CC)c(cc3C#N)C)OC(N)=C1C#N,0.0
48218,CO-ADD:0162708,2.2,c(Nc1ccccc1OC(c2ccccc2)=O)(nc(Nc3ccccc3OC(c4ccccc4)=O)nc5Nc6ccccc6OC(c7ccccc7)=O)n5,0.0
48219,CO-ADD:0162204,2.2,c1(N2CCCC2)nc(N\N=C\c3cccc(F)c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
48220,CO-ADD:0162613,2.2,C(C(OCC)=O)(=C(CSc1c(ccc(c2cccs2)n1)C#N)OC(=C3C#N)N)C3c4cccs4,0.0
48221,CO-ADD:0302540,2.2,C1(C(=O)OCc2ccccc2)=C(C)NC(=O)CC1c3cc4c(cc3Cl)OCO4,0.0
48222,CO-ADD:0304251,2.2,S(=O)(=O)(c1ccc(cc1)SC)NCc(cccn2)c2,0.0
48223,CO-ADD:0155265,2.2,O=C1CN(C(C2=CC=CC=C2)=O)C(C(C(Cl)=C3)=CC=C3Cl)N1OC,0.0
48224,CO-ADD:0301534,2.2,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(c(Br)c4)C)c5ccccc5,0.0
48225,CO-ADD:0155666,2.2,[O-][N+](C(C=C1/C=N/NC(COC2=C(Cl)C=C(Cl)C=C2)=O)=C(C=C1)N3CCOCC3)=O,0.0
48226,CO-ADD:0302729,2.2,[C@@]1(C)(CC2)C(CC[C@@]1(O)CN3CC3)C(C24)CCC(CCCC5)[C@@]45C,0.0
48227,CO-ADD:0302745,2.2,N1(C2c3cccc(OC)c3)C(S\C(=C\c(ccc4N5CCCCC5)o4)\C1=O)=NC(C)=C2C(=O)Nc6ccccc6,0.0
48228,CO-ADD:0159820,2.2,FC(F)(F)C1=CC=CC(N(C(C(C=CC=C2)=C2Cl)C3)N=C3C(C=C4)=CC=C4Cl)=C1,0.0
48229,CO-ADD:0159744,2.2,O=C(C1=CC=CC=C1)NC2=C(C=CC=C2)C(OCC(C3=CC=CC=C3)=O)=O,0.0
48230,CO-ADD:0303668,2.2,N1(c2ccc(cc2)OCCC)CC(CC1=O)C(=O)Nc3ccc(cc3Cl)Cl,0.0
48231,CO-ADD:0303648,2.2,n12c(S\C(=C/c3cccs3)\C1=O)nnc2c4ccc(cc4)C,0.0
48232,CO-ADD:0302527,2.2,N1(c2ccc(c(Cl)c2)Cl)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cccc(cccc5)c45,0.0
48233,CO-ADD:0160040,2.19,O=S(NC1=NC=CS1)(C(C=C2)=CC=C2NC(NC(/C=C/C3=CC=C(F)C=C3)=O)=S)=O,0.0
48234,CO-ADD:0303880,2.19,N1(CC(=O)c2ccc(cc2)Br)c3c(N(C)C1=N)cccc3.Br,0.0
48235,CO-ADD:0303980,2.19,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)Nc(cc3)ccc3NC(C)=O,0.0
48236,CO-ADD:0304062,2.19,C123C(CC(C(C4CC5=O)C1N5c6c2cc(N)cc6)C(C7)=CCO4)N7CC3,0.0
48237,CO-ADD:0302147,2.19,N1(c(cc2)ccc2C(O)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(c4)cc(cc4C(O)=O)C(O)=O,0.0
48238,CO-ADD:0300747,2.19,c1(c(C)nn2c3ccc(cc3)C)c2C=C(C)OC1=O,0.0
48239,CO-ADD:0301052,2.19,C(C(C)(C)O)#Cc(cc1)ccc1C(=O)NCC(c2ccccc2)c3ccccc3,0.0
48240,CO-ADD:0300749,2.19,c1(cc(ccc1N(CC2)CCN2C(c3ccccc3)c4ccccc4)[N+](=O)[O-])C(=O)Nc5ccccc5OCC,0.0
48241,CO-ADD:0300478,2.19,N1(C(=O)\C(\SC1=N)=C\c2ccco2)c3nonc3N,0.0
48242,CO-ADD:0304817,2.19,C1(=C(C)N(N(c2ccccc2)C1=O)C)N(C3c4ccc(cc4)OC)C(=O)C(=C3C(=O)c5ccc(cc5)C)O,0.0
48243,CO-ADD:0304826,2.19,S(=O)(=O)(Nc1cccc(OCCCCCC)c1)c(ccc2c3c4c(o2)cccc4)c3,0.0
48244,CO-ADD:0302065,2.19,c1(C(O)=O)cc(OC)c(cc1NC(CSCc2ccc(cc2Cl)Cl)=O)OC,0.0
48245,CO-ADD:0302884,2.19,c1(cc(Cl)ccc1NC(=O)C(C)(C)C)C(O)=O,0.0
48246,CO-ADD:0302592,2.19,N1(Cc2ccco2)C(=O)C(C(C34)C1=O)C(c(c35)cccc5)c6c4cccc6,0.0
48247,CO-ADD:0302175,2.19,C(=O)(Oc1ccccc1C=O)c2cccs2,0.0
48248,CO-ADD:0304394,2.19,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c(cc3)ccc3N(CC)CC,0.0
48249,CO-ADD:0304096,2.19,C(C(c1ccccc1)=O)(C2c(cc3)ccc3C(C)C)=C(O)C(N2c(cccn4)c4)=O,0.0
48250,CO-ADD:0311592,2.19,c(C#N)(c(cccc1)c1n2CCOc3ccccc3F)c2,0.0
48251,CO-ADD:0157480,2.19,[O-][N+](C1=CC(OC(COC(C(Cl)=C2)=CC=C2Cl)=O)=CC([N+]([O-])=O)=C1)=O,0.0
48252,CO-ADD:0157864,2.19,ClC1=CC=C(C=C1)/C=N/C2=CC(N=C(C(C=C3)=CC=C3C(C)(C)C)O4)=C4C=C2,0.0
48253,CO-ADD:0312224,2.19,C1(C(OCCOCC)=O)=C(C)NC(=O)CC1c(cc2)ccc2[N+](=O)[O-],0.0
48254,CO-ADD:0305936,2.19,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c3c1C(N)=O)CCCC3,0.0
48255,CO-ADD:0157872,2.19,O=C(COC(C=C1)=CC=C1I)N/N=C/C2=C(OCC)C=CC(OC)=C2,0.0
48256,CO-ADD:0157305,2.19,O=C(N/N=C/C1=CC=C(C=C1)N(C)C)COC2=CC(C)=C(Br)C=C2C(C)C,0.0
48257,CO-ADD:0160130,2.19,O=C(OCC)C1=CC2=C(S1)N(C3=CC=CC=C3)N=C2C,0.0
48258,CO-ADD:0155980,2.19,O=C1/C(N=C(C2=CC=CC=C2)O1)=C\C3=CC=C(C=C3)C(OC)=O,0.0
48259,CO-ADD:0156012,2.19,ClC1=CC=C(C=C1)/C=N/C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3,0.0
48260,CO-ADD:0306992,2.19,C(OC)(F)(C(F)(F)F)C(=O)Oc(cc1)ccc1C(CCC)=O,0.0
48261,CO-ADD:0311708,2.19,c1(sc(c2n1)cccc2)S\C(\C(OC)=O)=N\Nc(cc3)ccc3Br,0.0
48262,CO-ADD:0160602,2.19,ClC(C(Cl)C1=CC=CC=C1)(Cl)C(O)NC(C)=O,0.0
48263,CO-ADD:0305510,2.19,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccccc2)N(CC3)CCO3,0.0
48264,CO-ADD:0155390,2.19,O=C(C1=CC=CC=C1)NCC(NCC(N)=O)=O,0.0
48265,CO-ADD:0305827,2.19,c1(NC(=O)c2cc(Cl)ccc2OC)sc(c3c1C(OC)=O)CCCC3,0.0
48266,CO-ADD:0312527,2.19,c1(ccc(Cl)cc1)S(N2C[C@](O[C@H]3C4)(C=C3)[C@@H]4C2)(=O)=O,0.0
48267,CO-ADD:0305624,2.19,[N+]([O-])(=Nc(cc(cc1[N+](=O)[O-])[N+](=O)[O-])c1C(=O)NCc2ccccc2)c3cc(cc([N+](=O)[O-])c3C(=O)NCc4ccccc4)[N+](=O)[O-],0.0
48268,CO-ADD:0156252,2.19,O=C(C)C(C=C1)=CC=C1/N=C/C2=C(O)C(Cl)=CC(Cl)=C2,0.0
48269,CO-ADD:0156268,2.19,O=C(C1=CC([N+]([O-])=O)=CC=C21)N(C3=CC(C(O)=O)=CC(C(O)=O)=C3)C2=O,0.0
48270,CO-ADD:0155628,2.19,O=C(C1=CC=CC(OC)=C1)NC2=CC=C(C=C2)C3=NC(C=C4)=C(C=C4C)S3,0.0
48271,CO-ADD:0156242,2.19,O=C(C1=C2C=CC(OC3=CC=C(C=C3)[N+]([O-])=O)=C1)N(C4=CC=CC=C4O)C2=O,0.0
48272,CO-ADD:0310961,2.19,C(Nc(cc1)ccc1OC(F)(F)F)(C(OC)=O)(C(F)(F)F)NC(=O)c2ccccc2Cl,0.0
48273,CO-ADD:0305576,2.19,C12(C(C)NCc(ccc(c3OC)OCC(N)=O)c3)CC(CC(C4)C1)CC4C2.Cl,0.0
48274,CO-ADD:0162621,2.18,c1(C#N)c(c2cccs2)c3c(nc1SCc4c(cccc4Cl)F)CCC3,0.0
48275,CO-ADD:0162725,2.18,N(/c(cc1)ccc1c2ccc(cc2)\N=C\c3cccc(Br)c3)=C\c4cccc(Br)c4,0.0
48276,CO-ADD:0162622,2.18,c1(C#N)c(c2cccs2)c3c(nc1SCc(cc4)ccc4F)CCC3,0.0
48277,CO-ADD:0162618,2.18,c1(C#N)c(c2cccs2)c3c(nc1SCC(=O)C(C)(C)C)CCC3,0.0
48278,CO-ADD:0157451,2.18,O=C(NCCOCC1=CC=CC=C1)C2=CC=C3C4=C2C=CC=C4CC3,0.0
48279,CO-ADD:0301431,2.18,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c3ccc(c(Cl)c3)Cl,0.0
48280,CO-ADD:0158371,2.18,O=C(CSCC1=CC=C(C=C1)Cl)N/N=C/C2=CC=CS2,0.0
48281,CO-ADD:0155346,2.18,O=C(NC1=CC=CC=C1OC)C2=C(N)C(C(C)=C3)=C(N=C3C(F)(F)F)S2,0.0
48282,CO-ADD:0155715,2.18,O=C1/C(N=C(C2=CC(Br)=CC=C2)O1)=C/C3=CC(C=CC=C4)=C4C=C3,0.0
48283,CO-ADD:0155739,2.18,N=C(S/1)NC(C1=C/C2=CC=CO2)=O,0.0
48284,CO-ADD:0160377,2.18,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=CC=C(C=C3)/C=N/NC4=NC(N5CCCC5)=NC(NC6=CC=C(C=C6)[N+]([O-])=O)=N4)=NC(N7CCCC7)=N2)=O,0.0
48285,CO-ADD:0303547,2.18,c12c(ccc(C)c1S(O)(=O)=O)nc(c3ccc(cc3)N)s2,0.0
48286,CO-ADD:0159965,2.18,ClC(C=C1)=CC=C1/C=N/NC2=NC(N3CCCC3)=NC(NC4=CC=CC=C4)=N2,0.0
48287,CO-ADD:0160502,2.18,O=C(COC1=CC(C)=C(C=C1Br)Br)N/N=C(C)/CC(NC(C)(C)C)=O,0.0
48288,CO-ADD:0304233,2.18,C(=O)(c(cc(cc1C(=O)N2CCCCC2C)[N+](=O)[O-])c1)N3CCCCC3C,0.0
48289,CO-ADD:0302057,2.18,N1(CCc(cc(Br)cc2)c12)C(=O)c3ccc(cc3OC)SC,0.0
48290,CO-ADD:0301876,2.18,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(=O)OC(C)C,0.0
48291,CO-ADD:0300284,2.18,C(=C/c1c(cccc1Cl)Cl)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
48292,CO-ADD:0300452,2.18,N1(c2ccc(cc2)Cl)C(=O)C(N(CCc(cc3)ccn3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
48293,CO-ADD:0305038,2.18,C(C(C)=O)(C1c2ccc(c(OC)c2)O)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
48294,CO-ADD:0305078,2.18,c1(sc2c3c(COC)cc(C)n2)c3N=NN(c(cc4)ccc4C(C)=O)C1=O,0.0
48295,CO-ADD:0304606,2.18,[N+](=O)([O-])c1cccc(COc2cccc(c2)C=O)c1,0.0
48296,CO-ADD:0304752,2.18,n12c(S\C(=C/c(ccc(c3OCC)OCC(N)=O)c3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
48297,CO-ADD:0305240,2.18,S(C)(=O)(=O)N1CCc(cc2S(NCCc3ccccc3)(=O)=O)c1cc2,0.0
48298,CO-ADD:0305115,2.18,c1([N+](=O)[O-])nn(c(Br)n1)CC(=O)Nc(ccc(c2C)C)c2,0.0
48299,CO-ADD:0303553,2.18,C(C#N)(C(c1ccc(cc1)OC)CC(N2)=O)=C2SCC(OCc3ccccc3)=O,0.0
48300,CO-ADD:0302380,2.18,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cc(Cl)cc(Cl)c2)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
48301,CO-ADD:0303129,2.18,c1(NC(COc(cc2)ccc2F)=O)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
48302,CO-ADD:0306108,2.18,c1(cc(F)c(cc1N(CC2)CCN2C(OCC)=O)N(CC3)CCO3)[N+](=O)[O-],0.0
48303,CO-ADD:0307284,2.18,c1(cc(nn1c2ccccc2)C)N3C(=O)CCC3=O,0.0
48304,CO-ADD:0157030,2.18,N#CC1=C(Br)N=C(C2=CC=CS2)C=C1C3=CC=CC=C3,0.0
48305,CO-ADD:0307495,2.18,C(C(OCC)=O)(=C(C)N(C)C(=C1C(OCC)=O)C)C1c2ccc(C)s2,0.0
48306,CO-ADD:0157604,2.18,O=C(N/N=C/C1=CC=C(OCC=C)C=C1)COC2=C(Br)C=C(Br)C=C2OC,0.0
48307,CO-ADD:0311637,2.18,c12c(n(cn1)CCC\N=C(/CCC3)\N3C)C(N(C)C(=O)N2C)=O.Cl,0.0
48308,CO-ADD:0311188,2.18,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)Cl)=C(O)C(N2CCC(O)=O)=O,0.0
48309,CO-ADD:0311126,2.18,c1(cc(Br)ccc1OCC(=O)NC2CCCCC2)C(=O)Nc(cc3)ccc3Cl,0.0
48310,CO-ADD:0157041,2.18,N#CC1=C(SCC(O)=O)N=C(C2=CC=CS2)C=C1C3=CC=CC=C3,0.0
48311,CO-ADD:0157512,2.18,O=C(N/N=C/C1=C(OCC)C=CC(Br)=C1)C2=CC=CC=C2Cl,0.0
48312,CO-ADD:0311333,2.18,S(=O)(=O)(c1ccc(cc1C)OC)N(CC2)CCN2c3ccc(cc3)F,0.0
48313,CO-ADD:0160226,2.18,O=C(N/N=C/C(C=CC=C1)=C1Cl)C(C(O)=C2)=CC=C2O,0.0
48314,CO-ADD:0312321,2.18,N1(CCc(c23)cccc2)C3CN\C(=C\C(=O)c4ccc(cc4)C)\C1=O,0.0
48315,CO-ADD:0312433,2.18,N1(CCCCCC(=O)Nc(cccc2C(O)=O)c2)C(=O)c3c(cccc3)C1=O,0.0
48316,CO-ADD:0311524,2.18,C1(C(OCCOCC)=O)=C(C)NC(=O)CC1c2ccc(cc2Cl)Cl,0.0
48317,CO-ADD:0158520,2.18,BrC1=CC(Cl)=CC(/C=N/C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)=C1O,0.0
48318,CO-ADD:0155406,2.18,O=C(SC1=C2C=CC=C1)C(N=C3C)=C2N3CC4=CC=CC=C4,0.0
48319,CO-ADD:0158678,2.18,O=C(/C(C1=C2C(C)=CC(Br)=C1)=N\NC(C3=CN=CC=C3)=O)N2C,0.0
48320,CO-ADD:0312499,2.18,C(C1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C1)c(c4[C@H]2C(=O)O)cco4,0.0
48321,CO-ADD:0306264,2.18,c12c(cc(C)c(C)c1)NC(CC2c3ccccc3OCC)=O,0.0
48322,CO-ADD:0155402,2.18,O=C(C1=CC(Br)=CC=C21)N(C(C(O)=C3)=CC=C3C)C2=O,0.0
48323,CO-ADD:0155418,2.18,O=C(OC)C(C=C1)=CC=C1NC(CCN2CCN(C)CC2)=O,0.0
48324,CO-ADD:0305469,2.17,c1(N(CC2)CCN2S(C)(=O)=O)sc(c(c3ccccc3)n1)CCC,0.0
48325,CO-ADD:0156140,2.17,O=C(COC1=CC(C)=CC=C1C(C)C)N/N=C/C2=C(Cl)OC(C3=CC=CC=C3)=C2,0.0
48326,CO-ADD:0155948,2.17,O=C(O1)/C(N=C1CC)=C\C2=CC=C(Cl)C=C2,0.0
48327,CO-ADD:0155111,2.17,N#CC(C(SCC(C1(C[C@@H]2C3)C[C@@H]3C[C@@H](C2)C1)=O)=NC(C)=C4)=C4C(F)(F)F,0.0
48328,CO-ADD:0305413,2.17,C(=O)(c1cccc(OC)c1)N(CC2)CCN2c3ccccc3C,0.0
48329,CO-ADD:0155127,2.17,O=C(N/N=C/C1=CC=C(C(C=C2)=CC=C2Br)O1)C3=CC=C4C(C=CC=C4)=N3,0.0
48330,CO-ADD:0162727,2.17,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\C=C\c2ccccc2)[N+](=O)[O-],0.0
48331,CO-ADD:0154500,2.17,O=C1SC(SCC2=CC=CC=C2)=NC1=CC3=CC=C(OCO4)C4=C3,0.0
48332,CO-ADD:0154505,2.17,O=C1N(C)C(SC)=N/C1=CC2=CC=CC=C2,0.0
48333,CO-ADD:0154280,2.17,NC1=C(C(C2=CC=CC=C2)=C(C(Cl)=N1)C#N)C#N,0.0
48334,CO-ADD:0162819,2.17,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c3cccc(cccc4)c34,0.0
48335,CO-ADD:0154535,2.17,CC(C=C1)=CC=C1C=C(C#N)C#N,0.0
48336,CO-ADD:0155075,2.17,ClC1=NC(NC2=NC(C3=CC=CC=C3)=CS2)=NC(OC4=CC=CC=C4)=N1,0.0
48337,CO-ADD:0155331,2.17,O=C(C1=CC=CO1)NC2=NN=C(CC(C)C)S2,0.0
48338,CO-ADD:0303014,2.17,C1(c2ccco2)=N\C(\C(=O)O1)=C\c(cc3OC)cc(c3OC(c4ccccc4)=O)Cl,0.0
48339,CO-ADD:0155267,2.17,O=C(NC(C=CC=C1)=C1I)C2=C(SC)SN=C2SC,0.0
48340,CO-ADD:0302991,2.17,[nH]1c(cccc2)c2c(CCNC(=O)c3cccs3)c1,0.0
48341,CO-ADD:0302179,2.17,c1(c(C)c(n2)CC)n2c(cc(O)n1)C,0.0
48342,CO-ADD:0304381,2.17,C1(c2cc(Cl)ccc2Cl)=N\C(\C(=O)O1)=C\c(cccc3OC(c4ccccc4)=O)c3,0.0
48343,CO-ADD:0301542,2.17,C12C(C(C)NC(=O)N1C(C)C)C(c3ccccc3)N(C(=O)N2)C(C)C,0.0
48344,CO-ADD:0160350,2.17,O=C(C(C=CC=C1)=C1F)NC2=CC=C(C=C2)C3=NC(C=C4)=C(C=C4C)S3,0.0
48345,CO-ADD:0156014,2.17,O=C(C)NC1=CC=C2OC(C(C=CC=C3)=C3Cl)=NC2=C1,0.0
48346,CO-ADD:0160172,2.17,O=C(COC1=C(C=CC=C2)C2=CC=C1)OCC(C3=CC=C(Br)C=C3)=O,0.0
48347,CO-ADD:0302984,2.17,C1(=S)NC(NN1c2ccc(cc2)Cl)(C)CCCCC,0.0
48348,CO-ADD:0301894,2.17,c1(NC(=O)c2nn(cc2Cl)C)sc(c3c1C(OCC)=O)CCCC3,0.0
48349,CO-ADD:0163294,2.17,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(cc3)ccc3F,0.0
48350,CO-ADD:0163646,2.17,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(ccc(c3I)OC)c3,0.0
48351,CO-ADD:0163686,2.17,N(c(cc1)ccc1C(OCCCCCCC)=O)(C2)Cc(c2c3)cc(c3C4)CN4c(cc5)ccc5C(OCCCCCCC)=O,0.0
48352,CO-ADD:0301561,2.17,c1(cc(n2)C)n2c(c(CCO)c(O)n1)C,0.0
48353,CO-ADD:0301273,2.17,C1(C2c(cc3)ccc3C(OC)=O)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
48354,CO-ADD:0305198,2.17,c12c(cccc1)ncnc2SCCOc(cc3)ccc3C,0.0
48355,CO-ADD:0305278,2.17,c12c(n(c(NN)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
48356,CO-ADD:0305055,2.17,c1(C2c(cc3OC)cc(c3O)Cl)c([nH]nc1c4ccc(cc4)OC)OC(N)=C2C#N.O,0.0
48357,CO-ADD:0304927,2.17,c1(cc(n2)c3ccccc3)n2c(cc(CCCC)n1)CCCC,0.0
48358,CO-ADD:0300453,2.17,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(N(CCc(cc3)ccn3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
48359,CO-ADD:0300750,2.17,c1(C(OC)=O)cc(ccc1N(CC2)CCN2Cc3ccccc3)[N+](=O)[O-],0.0
48360,CO-ADD:0300399,2.17,P(=O)(OCC1CC1)(c2cccc(c2)[N+](=O)[O-])c3cccc(c3)[N+](=O)[O-],0.0
48361,CO-ADD:0301291,2.16,c1(cc(ccc1Sc2ccc(cc2C(c3ccccc3)=O)[N+](=O)[O-])[N+](=O)[O-])C(c4ccccc4)=O,0.0
48362,CO-ADD:0301284,2.16,c1(SCCOc(cc2)ccc2C)n(C)c3c(cccc3)n1,0.0
48363,CO-ADD:0301293,2.16,c1(cc(C#N)c(cc1N(CC(CC2C(N34)=CC=CC3=O)C4)C2)C#N)[N+](=O)[O-],0.0
48364,CO-ADD:0303963,2.16,C(=O)(c1ccco1)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3CC,0.0
48365,CO-ADD:0303992,2.16,N1(c2ccc(cc2)OC(C)C)CC(CC1=O)C(O)=O,0.0
48366,CO-ADD:0302062,2.16,c1(cc(ccc1NC(C(C)C)=O)Cc(ccc(c2C(O)=O)NC(C(C)C)=O)c2)C(O)=O,0.0
48367,CO-ADD:0303258,2.16,C(C#N)(C1c(cc2)ccc2N(CC)CC)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
48368,CO-ADD:0301609,2.16,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(cccc3Oc4ccccc4)c3)\C1=O)=O,0.0
48369,CO-ADD:0311475,2.16,c1(sc2c(ccc(OC)c2)n1)NC(=O)c3ccccc3C(O)=O,0.0
48370,CO-ADD:0307020,2.16,c(C(O)=O)(cc1c2ccc(cc2)F)c3c(n1)ccc(Br)c3,0.0
48371,CO-ADD:0157792,2.16,[O-][N+](C1=C(O)C(/C=N/C2=CC3=C(C=C2)OC(C4=CC=CC(C)=C4)=N3)=CC(C)=C1)=O,0.0
48372,CO-ADD:0157485,2.16,O=C(C1=CC=CC=C1)NC(C=C2)=CC=C2SC3=CC=C(C=C3)NC(C4=CC=CC=C4)=O,0.0
48373,CO-ADD:0311032,2.16,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3cccc(OC)c3OC,0.0
48374,CO-ADD:0155388,2.16,O=C(NCC1=CN=CC=C1)C(NCCCO)=O,0.0
48375,CO-ADD:0158609,2.16,O=C(C1=C2C=CC(C(O)=O)=C1)N(C3=CC=CC=C3C(OCCCC)=O)C2=O,0.0
48376,CO-ADD:0158695,2.16,O=C(C1=CC=CC=C1Br)OC2=CC(/C=N/NC(/C(NC(C3=CC=CC=C3)=O)=C\C4=CC=C(N(C)C)C=C4)=O)=CC=C2,0.0
48377,CO-ADD:0155630,2.16,O=C(NC1=CC=C(C=C1)C(O)=O)C2CC2CCCCCCCC,0.0
48378,CO-ADD:0158664,2.16,[O-][N+](C(C=C(OCO1)C1=C2)=C2/C=N/NC(CC3=NN=C4N3C5=NON=C5N=C4NC6=CC=C(C(Cl)=C6)C)=O)=O,0.0
48379,CO-ADD:0154953,2.16,N#CC(C(C1=CN=CC=C1)C(C2=O)=C(C(C=CC=C3)=C3O2)O4)=C4N,0.0
48380,CO-ADD:0331769,2.16,C(C(OC)=O)(=CN(C=C1C(OC)=O)C23CC(CC4C2)CC(C4)C3)C1c5cccs5,0.0
48381,CO-ADD:0332153,2.16,c1(C2=O)c(cn(c3ccc(cc3)F)c1c4ccc(cc4)OC)N(C(=O)N2C)C,0.0
48382,CO-ADD:0331865,2.16,C12(CC(CC3C1)CC(C3)C2)C(C(=O)c4ccc(c(OC)c4)OC)C(=O)C(F)(F)F,0.0
48383,CO-ADD:0331280,2.16,C1(C#N)=C(COC)C=C(N(CC(=O)Nc2cccc(cccc3)c23)C1=O)C,0.0
48384,CO-ADD:0331569,2.16,C(OC)(=O)C(O)C\C(=N\O)\CC1OCCO1,0.0
48385,CO-ADD:0331265,2.16,n1(cc(nn1)c2ccccc2)c3nc(OCC)nc(N4CCCCC4)n3,0.0
48386,CO-ADD:0320600,2.16,S(N)(=O)(=O)c(c(Cl)cc(c1C(O)=O)Cl)c1,0.0
48387,CO-ADD:0320708,2.16,c1(ccc(cc1OC)SC)C(=O)NCc(cc2OC)cc(c2OC)OC,0.0
48388,CO-ADD:0321428,2.16,c12c(ccc(C(N3c4ccc(cc4)Cl)=O)c1S3)C(=O)c(c5C2=O)cccc5,0.0
48389,CO-ADD:0320916,2.16,c1(C(NCCN(CC2)CCO2)=O)n[nH]cn1,0.0
48390,CO-ADD:0320774,2.16,n1(CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc4ccccc4C)nnnc1N,0.0
48391,CO-ADD:0320872,2.16,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCC)c4ccc(cc4)OC,0.0
48392,CO-ADD:0324324,2.16,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
48393,CO-ADD:0321501,2.16,N(/C(=S)CN1CCCC1=S)=C(\CCCCC2)/N2C,0.0
48394,CO-ADD:0319309,2.16,N(CC(O)=O)(CC1=O)c(cccc2)c2O1,0.0
48395,CO-ADD:0321495,2.16,C1(C)(C)C(C1\C=C(/Cl)\Cl)C(=O)Nc2sc(c3n2)cccc3,0.0
48396,CO-ADD:0324109,2.16,c1(NC(C2CCCCC2)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
48397,CO-ADD:0324861,2.16,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(c(OCCOc3ccccc3)ccc4[N+](=O)[O-])c4)\C1=N,0.0
48398,CO-ADD:0324462,2.16,C1(C(NCCc(ccc(c2OCC)OCC)c2)=O)=Cc(cccc3CC=C)c3OC1=O,0.0
48399,CO-ADD:0320662,2.16,c1(c2c(cs1)CCCC2)C(=O)Nc3ccccc3Cl,0.0
48400,CO-ADD:0320110,2.16,n1(c2ccccc2)c(SCC(=O)c3cccc(cccc4)c34)nnc1c5cccc(F)c5,0.0
48401,CO-ADD:0324583,2.16,[nH](c(ccc(c1)C)c1c2CCN)c2C.Cl,0.0
48402,CO-ADD:0324599,2.16,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c3c1C(OCC)=O)CCC3,0.0
48403,CO-ADD:0319062,2.15,c1(NC(Cc2ccccc2)=O)c3c(oc1C(C)=O)cccc3,0.0
48404,CO-ADD:0319575,2.15,c12c(n(c(SCc(nc(N)nc3N(CC4)CCO4)n3)n1)CC=C)C(N(C)C(=O)N2C)=O,0.0
48405,CO-ADD:0319119,2.15,S(=O)(=O)(c1ccc(cc1)NC(=O)c2cccs2)N3CCCCC3C,0.0
48406,CO-ADD:0319464,2.15,[N+](=O)([O-])c(cc(cc1C(NCCOc2ccccc2C)=O)C(NCCOc3ccccc3C)=O)c1,0.0
48407,CO-ADD:0327141,2.15,n12c(c(c(c3ccc(cc3)OC)c1C(=S)Nc(cc4)ccc4OC)CCCC5)n5c(c6ccccc6)n2,0.0
48408,CO-ADD:0327149,2.15,n1(cnn2)c2SCC(c3ccc(c(OC)c3)OC)=N1,0.0
48409,CO-ADD:0326362,2.15,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)OCC(=O)N(CC4)CCO4)c1C)cc(OC)cc3,0.0
48410,CO-ADD:0326378,2.15,[nH](c(ccc(c1)OC)c1c2CCNCc3cccc(F)c3)c2C,0.0
48411,CO-ADD:0327197,2.15,[nH](c(ccc(c1)OC)c1c2CCNCc3c(OC)cc(cc3OC)OC)c2C,0.0
48412,CO-ADD:0329560,2.15,S(=O)(=O)(NC(c1ccc(cc1)OC)CC(OCC)=O)c2ccc(c(cccc3)c23)OCC,0.0
48413,CO-ADD:0328034,2.15,[nH](c(ccc(c1)OC)c1c2CCNCc(cccn3)c3)c2C,0.0
48414,CO-ADD:0327938,2.15,C1(OC(CC)(CC)c2c(cccc2)N1)c3cccn3c(cc4)ccc4[N+](=O)[O-],0.0
48415,CO-ADD:0329227,2.15,Cc(c(C)c1)ccc1N(N=NN2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
48416,CO-ADD:0327914,2.15,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2C(=O)NC3CCCCC3)c1)N(CC4)CCO4,0.0
48417,CO-ADD:0327497,2.15,c1(CS(=O)(=O)c2ccc(cc2)Cl)n(c3ccccc3)c4c(cc(c(Br)c4)OC)c1C(OCC)=O,0.0
48418,CO-ADD:0328493,2.15,n12c(nc(cc1C(F)(F)F)c(ccc(c34)OCO3)c4)cc(C(NCCc(c5c([nH]6)ccc(OC)c5)c6C)=O)n2,0.0
48419,CO-ADD:0328677,2.15,S(=O)(=O)(NCC(CC1CC2CC3C1)(C3)C2)c(cccc4S(=O)(=O)c5ccc(cc5)Cl)c4,0.0
48420,CO-ADD:0328280,2.15,S(=O)(=O)(Nc(cc1)ccc1CC(O)=O)c2ccc(c(OC)c2)OC,0.0
48421,CO-ADD:0329706,2.15,N1(CC)C(=O)c(c2C1=O)ccc(C(O)=O)c2,0.0
48422,CO-ADD:0332050,2.15,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)NCC(C4)(CC5CC4CC6C5)C6)n2,0.0
48423,CO-ADD:0331924,2.15,C1(=Cc2c(OC1=O)cccc2)C(=O)N(CC3)CCN3c4ccccc4,0.0
48424,CO-ADD:0332443,2.15,[N+](=O)([O-])c(ccc(c1C(=O)c2ccc(cc2)C)Cl)c1,0.0
48425,CO-ADD:0331963,2.15,C(C1)(CC2CC1CC3C2)(C3)Oc(cc4)ccc4N,0.0
48426,CO-ADD:0330768,2.15,c1(cnc(C)n1CCc2nnc(N)s2)[N+](=O)[O-],0.0
48427,CO-ADD:0331752,2.15,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c3ccc(C)s3,0.0
48428,CO-ADD:0331017,2.15,C(C(F)(F)F)(NC(=O)c1ccc(cc1)F)(C2=O)NC(N2C(CC)C34CC5CC(CC(C5)C3)C4)=O,0.0
48429,CO-ADD:0331940,2.15,S(=O)(=O)(c1ccc(cc1C)C)N(CC2)CCN2C(=O)c(cccc3[N+](=O)[O-])c3,0.0
48430,CO-ADD:0320368,2.15,C(CC1(C)C)(CC(N1)(C)C)N(C)C(C)=O,0.0
48431,CO-ADD:0320593,2.15,[nH]1c(cccc2)c2c(CCN)c1C,0.0
48432,CO-ADD:0320145,2.15,C12=C(CCCC1=O)Nc(c3C2c4ccc(c(OC)c4)OC(C)=O)ccc5c3cccn5,0.0
48433,CO-ADD:0319850,2.15,C(C(OCC)=O)(C1c(cccn2)c2)=C(c3ccccc3)NC(SCCC)=C1C#N,0.0
48434,CO-ADD:0319853,2.14,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)Nc(cc(cc3C(F)(F)F)C(F)(F)F)c3)c4ccccc4,0.0
48435,CO-ADD:0320746,2.14,c1(C2c3ccc(c4c3)OCO4)c([nH]nc1c5cccs5)OC(N)=C2C#N,0.0
48436,CO-ADD:0321467,2.14,n1c(N)n[nH]c1CC(=O)N(CC)C2(CCCCC2)C(=O)Nc(cc3)ccc3OC,0.0
48437,CO-ADD:0324463,2.14,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3cc(C)ccc3OC,0.0
48438,CO-ADD:0319308,2.14,C(O)(=O)c(ccc(c1I)OC)c1,0.0
48439,CO-ADD:0321517,2.14,N(Cc1ccco1)(C2(CCCCC2)C(=O)Nc3c(C)cccc3C)C(=O)c4cc[nH]n4,0.0
48440,CO-ADD:0324893,2.14,C1(=Cc2c(OC1=O)ccc(Br)c2)c3cnc(CC#N)s3,0.0
48441,CO-ADD:0324605,2.14,C(=O)(Oc(ccc(c12)cccc1)c2)c3ccccc3O,0.0
48442,CO-ADD:0324613,2.14,c(NC(=O)C(C(F)(F)F)C(F)(F)F)(s1)c(C(OCC)=O)c(c1C(=O)N2CCCCC2)C,0.0
48443,CO-ADD:0323620,2.14,C(NCC(C1)(C2)CC(C3)CC1CC23)(NC(Cc4ccccc4)=O)(C(F)(F)F)C(F)(F)F,0.0
48444,CO-ADD:0323461,2.14,N1(c2ccc(cc2)F)C(=O)\C(\SC1=N)=C\c(cc3)ccc3O,0.0
48445,CO-ADD:0319512,2.14,c1(C2c3ccc(c4c3)OCO4)c([nH]nc1c5ccccn5)OC(N)=C2C#N,0.0
48446,CO-ADD:0320707,2.14,C(=O)(Nc(cc1)ccc1F)c2ccc(c(OC)c2)OCc3ccccc3Cl,0.0
48447,CO-ADD:0324608,2.14,S1(=O)(=O)c2c(C(Cl)=C1CCCl)ccc(F)c2,0.0
48448,CO-ADD:0321515,2.14,C(F)(F)(Oc1ccccc1NC(=O)NC(=O)c2c(cccc2F)F)C(F)C(F)(F)F,0.0
48449,CO-ADD:0319028,2.14,c1(NC(COc(ccc(c23)OCO2)c3)=O)sc(c4c1C#N)CCC4,0.0
48450,CO-ADD:0327695,2.14,c1(c(c2)scn2)nc(c3n1Cc(ccc(c4OCC)OCC)c4)cccc3,0.0
48451,CO-ADD:0327343,2.14,C1(OC2)(OCC2(Br)[N+](=O)[O-])c3c(NC1=O)cccc3,0.0
48452,CO-ADD:0327223,2.14,S(=O)(=O)(c1ccc(c2c1)cccc2)NC(c3ccccc3)c4ccc(cc4)OC,0.0
48453,CO-ADD:0327255,2.14,c(C(OCC)=O)(c(cc(O)c(c12)cccc1)c2n3CC4CCCO4)c3C,0.0
48454,CO-ADD:0327559,2.14,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)NC(C)C,0.0
48455,CO-ADD:0329275,2.14,C(O)(C(F)(F)F)(C(F)(F)F)c1ccc(cc1OC(C)=O)C,0.0
48456,CO-ADD:0327788,2.14,C1C(=O)C(C(=O)CC(c2ccc(cc2)OC)N3c4ccc(C)cc4)=C3CC1(C)C,0.0
48457,CO-ADD:0329291,2.14,N1(N=C(S2)CCCCCCC)C2=NC(=O)\C(=C/c(ccc3c(cc4)ccc4C(O)=O)o3)\C1=N,0.0
48458,CO-ADD:0329028,2.14,S(c1ccccc1)(=O)(=O)c2c(O)c(C)cc(NC(=O)c3ccc(cc3)OC)c2C,0.0
48459,CO-ADD:0327516,2.14,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3Oc4c(Cl)cc(cn4)Cl)n2)Cc5cccc(F)c5,0.0
48460,CO-ADD:0327349,2.14,C1([O-])=C([S+](C)C)C(=O)NC(=O)N1CCCC(C)C,0.0
48461,CO-ADD:0327131,2.14,C(=O)(NCc(cc1)ccc1C(C)(C)C)c(cccc2C(=O)NCc(cc3)ccc3C(C)(C)C)c2,0.0
48462,CO-ADD:0327435,2.14,c(C1)(c2c([nH]3)ccc(Cl)c2)c3CCN1C(OCC)=O,0.0
48463,CO-ADD:0327340,2.14,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(cc4)NC(C)=O)cccc3,0.0
48464,CO-ADD:0331190,2.14,n1(C(C)c2ccccc2)c3c(nc1COc4cc(C)ccc4C(C)C)cccc3,0.0
48465,CO-ADD:0332267,2.14,N1(c2cccc(c2C)[N+](=O)[O-])C(=O)c3c(cccn3)C1=O,0.0
48466,CO-ADD:0331925,2.14,C1(=Cc2c(OC1=O)cccc2)C(=O)N3CCC(CC3)C(N)=O,0.0
48467,CO-ADD:0332114,2.14,C(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3ccc(c(Cl)c3)Cl,0.0
48468,CO-ADD:0331674,2.13,C(=O)(c(ccc(c1Br)OC)c1)NC(c2ccc(cc2)OC)CC(O)=O,0.0
48469,CO-ADD:0331035,2.13,C(C(F)(F)F)(NC(=O)C(F)(F)F)(c1c(N23)c(ccc1)Sc(ccc(Cl)c4)c24)C3=O,0.0
48470,CO-ADD:0332089,2.13,C(c1ccccc1Cl)(CC(OCC)=O)NC(=O)c(cc2)ccc2C(C)(C)C,0.0
48471,CO-ADD:0332121,2.13,C1(C(=O)Nc(cc2)ccc2Oc3ccccc3)=Cc4c(OC1=O)ccc(OC)c4,0.0
48472,CO-ADD:0330753,2.13,C(O)(C(OC)=O)(C(F)(F)F)c1ccc(c(C)c1C)O,0.0
48473,CO-ADD:0330769,2.13,c1(c2ccccc2F)nnn(CC(=O)Nc3cccc(C)c3)n1,0.0
48474,CO-ADD:0331514,2.13,n1(c2c(cccc2)CN3)c(ccc1)C3c4ccc(cc4)OC(F)(F)F.Cl,0.0
48475,CO-ADD:0331652,2.13,c12c(C(=CC(=O)N1)C)c(nn2C(C)C)O,0.0
48476,CO-ADD:0331203,2.13,c1(\C(\CCC2)=N\OCC(=O)Nc3c(C)cc(cc3C)C)c2non1,0.0
48477,CO-ADD:0331267,2.13,n(c(Cl)nc(n1)OC)c1N,0.0
48478,CO-ADD:0332532,2.13,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c4cccc(OC)c4,0.0
48479,CO-ADD:0320338,2.13,[nH]1c(cccc2)c2c(CCNC(=O)NC(=O)c3cccc(Cl)c3)c1C,0.0
48480,CO-ADD:0319862,2.13,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCN(CC3)CCN3C(NCC)=S,0.0
48481,CO-ADD:0320174,2.13,[N+](=O)([O-])c1cccc(C(=O)NCc2c(C)cc(nc2SC)C)c1C,0.0
48482,CO-ADD:0320398,2.13,N1(CCc2ccccc2)C(=O)c3c(NC1=O)cccc3,0.0
48483,CO-ADD:0320591,2.13,c1(N)n(c2ccc(cc2)OC(F)(F)Cl)ncc1C(OCC)=O,0.0
48484,CO-ADD:0323943,2.13,S(=O)(=O)(N1CCCCC1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(NCCc(ccc(c5OCC)OCC)c5)=O)=O)=N4)c2,0.0
48485,CO-ADD:0323393,2.13,N1(C(=O)CSc2nc(c3cccs3)cc(C(F)(F)F)c2C#N)c4c(cccc4)Sc(ccc(Cl)c5)c15,0.0
48486,CO-ADD:0323123,2.13,S(NCCCCCCC)(=O)(=O)c1ccc(c2c1cccn2)OC,0.0
48487,CO-ADD:0323523,2.13,N(C(COc1cccc(Br)c1)=O)c2cccc(C)n2,0.0
48488,CO-ADD:0323301,2.13,C(C(=O)OC1CCCC1)(C2c(cc3)ccc3C(F)(F)F)=C(C)NC(CC(c4cccs4)CC5=O)=C25,0.0
48489,CO-ADD:0323294,2.13,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3OC)C2c4ccc(c(Br)c4)OC,0.0
48490,CO-ADD:0323326,2.13,C(=C\NC1CCCC1)(/C(=O)C2)\C(=O)CC2c3cccc(Cl)c3,0.0
48491,CO-ADD:0323448,2.13,N1(c2cc(C)ccc2C)C(=O)CC(CS3(=O)=O)C1C3,0.0
48492,CO-ADD:0321058,2.13,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C(=O)c4cccs4,0.0
48493,CO-ADD:0321507,2.13,C(=O)(n1c(C)cc(C)n1)N(c2c3cccc2)c4c(S3)cccc4,0.0
48494,CO-ADD:0323033,2.13,c12c(ccc(C(=O)Nc(cc3)ccc3Br)c1SCC)C(=O)c(c4C2=O)cccc4,0.0
48495,CO-ADD:0323221,2.13,S(=O)(=O)(N(CC1)CCN1C(c2ccccc2)c3ccccc3)c4c(C)ccc(nsn5)c45,0.0
48496,CO-ADD:0321117,2.13,c1(c2c(sc1NC(COc3ccc(cc3F)F)=O)CCCC2)C(=O)OC(C)C,0.0
48497,CO-ADD:0321173,2.13,C(/C(OC)=O)(=C(\F)/SCC(c1ccccc1)=O)\C(F)(F)F,0.0
48498,CO-ADD:0319949,2.13,c1(C2c3ccc(c(OC)c3)O)c([nH]nc1c4ccc(c(OC)c4)OCC)OC(N)=C2C#N,0.0
48499,CO-ADD:0321168,2.13,C1(SC(F)(C(OC)=O)C(F)(F)F)=C(C)N(N(c2ccccc2)C1=O)C,0.0
48500,CO-ADD:0327279,2.13,C12=C(C(NC(C)=N1)=O)SC(=S)N2c3ccccc3,0.0
48501,CO-ADD:0327720,2.13,[n+]12n(cc(C)n1)[n-]c(C)c2I.[n+](cc([n-]3)C)(nc(c4I)C)n34,0.0
48502,CO-ADD:0328521,2.13,S(=O)(=O)(CC(=O)Nc1c(OC)cc(c(OC)c1)Cl)c2ccc(cc2Cl)C(F)(F)F,0.0
48503,CO-ADD:0328545,2.13,c1(c2ccc(cc2Cl)Cl)nnc(c3ccc(cc3)OCc(cc4)ccc4Br)o1,0.0
48504,CO-ADD:0328538,2.13,c(c1ccccc1O)(nnc2c3ccccc3OC)o2,0.0
48505,CO-ADD:0328829,2.13,C(=O)(Nc(cc1)ccc1CC#N)c2ccccc2Cl,0.0
48506,CO-ADD:0328470,2.13,c1(C#N)c(C)c(C\C=C/C)c(nc1SCC(=O)Nc2cc(Br)cc(Br)c2)C,0.0
48507,CO-ADD:0328518,2.13,S(=O)(=O)(CC(=O)Nc(cc1)ccc1F)c2ccc(cc2Cl)C(F)(F)F,0.0
48508,CO-ADD:0329456,2.13,n1(CC=C)c(SCc(ccc(c2n3)no3)c2)nnc1c4cccs4,0.0
48509,CO-ADD:0327892,2.13,N1(c(cc2)ccc2\C(\C)=N\OC(=O)c3cccc(Br)c3)C(=O)C(C4C1=O)CCCC4,0.0
48510,CO-ADD:0329230,2.13,S(=O)(=O)(Nc(ccc(c12)OCO1)c2)C3=C(C)NC(NC3=O)=O,0.0
48511,CO-ADD:0329959,2.12,c(cn(n1)CC)(c1C)C(=O)Nc(cc2)ccc2CC#N,0.0
48512,CO-ADD:0326797,2.12,c1(c2c(cccc2F)Cl)noc(C)c1C(=O)NCc(cc3)ccn3,0.0
48513,CO-ADD:0327140,2.12,N1(\N=C\c2ccc(cc2OC)OC)C(=O)C(C(C)(C)C)=Nn(cnn3)c13,0.0
48514,CO-ADD:0332203,2.12,C1(C(OCCC)=O)=C(C)NC(NC1c2ccc(Br)s2)=O,0.0
48515,CO-ADD:0331795,2.12,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(OCCOC)=O,0.0
48516,CO-ADD:0331843,2.12,C(C(c1ccc(cc1)C)C(=C(O)N=C(N2c3ccccc3)Nc4ccccc4)C2=O)(=C(O)N=C(N5c6ccccc6)Nc7ccccc7)C5=O,0.0
48517,CO-ADD:0332188,2.12,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(c(OCC)c3)O)=C(O)C(N2CCCn(ccn4)c4)=O,0.0
48518,CO-ADD:0330731,2.12,c(nc(c1ccco1)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
48519,CO-ADD:0319151,2.12,c1(NC(CSc2nnc(N)s2)=O)nonc1N,0.0
48520,CO-ADD:0319128,2.12,c1(N(C)Cc2ccccc2)scc(c(cc3)ccc3[N+](=O)[O-])n1,0.0
48521,CO-ADD:0319129,2.12,N1(C)C(=O)c2c(N=C1SCc(ccc(c34)OCO3)c4)cccc2,0.0
48522,CO-ADD:0311607,2.12,c(n1)(c2)c(n[nH]1)cc(C#N)c2C#N,0.0
48523,CO-ADD:0311807,2.12,[N+](=O)([O-])c(cccc1c2ccc(\C=C/C(=O)NNC(CC)=O)o2)c1,0.0
48524,CO-ADD:0312035,2.12,c12c(ccc(C(N)=O)c1SC)C(=O)c(c3C2=O)cccc3,0.0
48525,CO-ADD:0312260,2.12,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccccc4F,0.0
48526,CO-ADD:0307115,2.12,c1(NC(=O)c(cc2)ccc2n3cnnn3)sc(c(C)c1C(OCC)=O)C,0.0
48527,CO-ADD:0306098,2.12,c1(cc(N2CCCCC2)c(cc1[N+](=O)[O-])F)C(=O)N3CCCCC3,0.0
48528,CO-ADD:0320199,2.12,n1(CC=C)c(SCC(=O)Nc(c(Cl)ccc2C(F)(F)F)c2)nnc1c3cccs3,0.0
48529,CO-ADD:0323296,2.12,C(C(OC)=O)(=CN(c(cccc1C(F)(F)F)c1)C=C2C(OC)=O)C2c3cccs3,0.0
48530,CO-ADD:0323312,2.12,n1(CC)c(c2ccc(c(Cl)c2)Cl)nnc1Sc3c(c4ccccc4)c5c(nc3O)cccc5,0.0
48531,CO-ADD:0320749,2.12,N1(c2ccc(cc2)OC)\C(=N\c(cc3)ccc3OC)\S\C(=C/c4cccc(F)c4)\C1=O,0.0
48532,CO-ADD:0320823,2.12,c1(S)n(C(C)CCc2ccccc2)c(c3n1)ccc(Cl)c3,0.0
48533,CO-ADD:0321476,2.12,C(=O)(Nc(cc1)ccc1Cc(cc2)ccn2)c3ccccc3Br,0.0
48534,CO-ADD:0324231,2.12,c12c(n(c(SCc(nc(N)nc3N(CC4)CCO4)n3)n1)CCCC)C(N(C)C(=O)N2C)=O,0.0
48535,CO-ADD:0324319,2.12,c12c(n(c(Oc(cc3)ccc3Oc4c(Cl)cc(cn4)Cl)n1)CC=C)C(N(C)C(=O)N2C)=O,0.0
48536,CO-ADD:0324168,2.12,c1(c2ccccc2Cl)nnn(Cc(nc(N)nc3N(CC4)CCO4)n3)n1,0.0
48537,CO-ADD:0324192,2.12,C1(C(OCCOCC)=O)=C(C)NC(=O)CC1c2ccccc2Br,0.0
48538,CO-ADD:0323914,2.12,n1c(N)n[nH]c1CC(=O)N(CC)C2(CCCCC2)C(=O)Nc(cc3)ccc3C,0.0
48539,CO-ADD:0323883,2.12,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2C(c3c(cccc3)C(N4)Nc(cc5)ccc5OCC(N)=O)=N4)c2,0.0
48540,CO-ADD:0323923,2.12,c1(S[C@H]2C\C(=N\O)\[C@H](O3)O[C@@H]2C3)nc(c4ccccc4)cc(C(F)F)n1,0.0
48541,CO-ADD:0323887,2.12,C1(C(F)(F)F)(C(F)(F)F)NC(C(Br)C12)C(C2)Cl,0.0
48542,CO-ADD:0319749,2.12,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c(ccc(c56)OCO5)c6)c24,0.0
48543,CO-ADD:0319734,2.12,c12c(nnc(SCC(=O)Nc(ccc(c3F)F)c3)n1)c4c(cccc4)n2CCc5ccccc5,0.0
48544,CO-ADD:0320095,2.12,c1(C(OCC)=O)sc(c2c1NC(C)=O)cc(cc2SCC(C)C)[N+](=O)[O-],0.0
48545,CO-ADD:0320687,2.12,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3c(Cl)ccc(Cl)c3,0.0
48546,CO-ADD:0320119,2.12,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(NCCOc2ccccc2OC)=O)c1,0.0
48547,CO-ADD:0319737,2.12,c1(N2CCCCC2)nc(CSc3nc(c4[nH]3)cccn4)nc(N)n1,0.0
48548,CO-ADD:0319965,2.12,c(c(C)c(s1)C)(C2=O)c1N=C(SCC(=O)Nc3ccccc3Oc4ccccc4)N2c5ccccc5,0.0
48549,CO-ADD:0320021,2.12,c1(cc2c(cc1Br)OCO2)C3NCCc(cc(c(OC)c4)OCC)c34,0.0
48550,CO-ADD:0319005,2.11,C1(=C(C)C=C(N(CC(O)=O)C1=O)C)[N+](=O)[O-],0.0
48551,CO-ADD:0318922,2.11,n1(c(cc2)ccc2C(OC)=O)nnnc1SCc(nc(N)nc3N(CC4)CCO4)n3,0.0
48552,CO-ADD:0328971,2.11,[N+](=O)([O-])c(cccc1C(CC(OCC)=O)NC(=O)c2cccc(C)c2)c1,0.0
48553,CO-ADD:0328411,2.11,c12c(oc(c(c3C(O)=O)c4ccc(cc4)Br)c1nc3C)nc(c5ccoc5)c6c2CC(C)(C)OC6,0.0
48554,CO-ADD:0328867,2.11,n(c1c2cccn1)c(\C=C(\C)/O)c(n2)\C=C(\C)/O,0.0
48555,CO-ADD:0329012,2.11,c1(C(F)(F)F)nc(c2n1CC(=O)Nc3ccccc3[N+](=O)[O-])cccc2,0.0
48556,CO-ADD:0329533,2.11,C1(=S)N(NC(=O)c2cccc(F)c2)C(C(=O)N1c3ccc(cc3)Cl)CC(=O)Nc(cc4)ccc4Cl,0.0
48557,CO-ADD:0329672,2.11,c1(Oc(cc2)ccc2OC(=O)c3ccco3)c(Cl)cc(cn1)Cl,0.0
48558,CO-ADD:0329425,2.11,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)N(CC3)CCN3c4ccccc4F,0.0
48559,CO-ADD:0329689,2.11,N1(Cc(cc2)ccc2Cl)\C(=N/c(cc3)ccc3C(OCC)=O)\SC(C(=O)Nc(cc4)ccc4C(OC)=O)CC1=O,0.0
48560,CO-ADD:0326791,2.11,n12c(c(c(c3ccc(cc3)Cl)c1C(=O)Nc(ccc(c4Cl)Cl)c4)CCCC5)n5c(c6ccccc6)n2,0.0
48561,CO-ADD:0327628,2.11,n12c(SCC(c3ccc(cc3Cl)Cl)=N1)nnc2C(F)(F)F,0.0
48562,CO-ADD:0329613,2.11,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3c(Cl)cc(c(Cl)c3)OC,0.0
48563,CO-ADD:0326426,2.11,C1(CCCCC1)(C(=O)OC(C2(C)C)c3ccc(cc3)OC(C)=O)C2=O,0.0
48564,CO-ADD:0328579,2.11,C1(C(F)(F)F)(C(F)(F)F)N=C(c(cc2)ccn2)NC3=C1C(=O)NC(N3CCc(ccc(c4OCC)OCC)c4)=O,0.0
48565,CO-ADD:0327872,2.11,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc(ccc(c4OC)OC)c4,0.0
48566,CO-ADD:0328230,2.11,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)c(C)cc(NS(c3ccccc3)(=O)=O)c2C(C)C,0.0
48567,CO-ADD:0330967,2.11,c12c(c(n[nH]1)c3ccc(cc3)F)C(N(c4ccccc4)C2=O)c5ccccc5OC,0.0
48568,CO-ADD:0331658,2.11,C1(\N=C(/C=C2c3ccccc3)\C(=O)N(N2c4ccccc4)c5ccccc5)=C(C)N(N(c6ccccc6)C1=O)C,0.0
48569,CO-ADD:0320478,2.11,N(C(CSCC(=O)Nc1ccccc1)=O)c2ccc(cc2C)C,0.0
48570,CO-ADD:0311553,2.11,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCOC)c4cccc(OC)c4,0.0
48571,CO-ADD:0311570,2.11,n1(nnc(C(OCC)=O)c1CN(C)C)c2nonc2N,0.0
48572,CO-ADD:0307426,2.11,c1(sc2c(c(COC)cc(C)n2)c1NC(c3ccccc3)=O)c4[nH]c(c5n4)cccc5,0.0
48573,CO-ADD:0306146,2.11,c12c(C(NC=N1)=O)nnn2Cc3ccccc3,0.0
48574,CO-ADD:0305524,2.11,S(C)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NCCc3ccccc3,0.0
48575,CO-ADD:0311098,2.11,C(C)(C)(C(=O)OC(C12CCCCC1)c3ccco3)C2=O,0.0
48576,CO-ADD:0320239,2.11,c1(c(Cl)c(Cl)c(nc1Cl)Cl)C(=O)Nc2cccc(C)c2C,0.0
48577,CO-ADD:0324221,2.11,C1(C(OCCSC)=O)=C(C)NC(NC1c2cccc(F)c2)=O,0.0
48578,CO-ADD:0323773,2.11,C12(C#N)C(CCCC3)C3(OC1=N)OC(c4ccccc4)C2(C#N)C#N,0.0
48579,CO-ADD:0323829,2.11,c1(c2c(cs1)CCCC2)C(=O)Nc3cccc(OC)c3,0.0
48580,CO-ADD:0323062,2.11,c1(cccc2c1oc(n2)C)C(=O)Oc(cc3)ccc3C(C)(C)C,0.0
48581,CO-ADD:0324326,2.11,N1(c(cc2)ccc2C(OCC)=O)C(=O)\C(\SC1=N)=C\c(cc(OCO3)c3c4)c4Br,0.0
48582,CO-ADD:0319269,2.11,N(CC1)(CCN1c2ccc(cc2F)C(CCC)=O)C(CC)=O,0.0
48583,CO-ADD:0321015,2.11,C1(F)(F)Oc(c2O1)ccc(c2)NC(=O)c(cccn3)c3,0.0
48584,CO-ADD:0320629,2.11,c1(C(NCCc2ccccc2)=O)c(OC)cc(c3c1)cccc3,0.0
48585,CO-ADD:0320061,2.11,c1(ccc(\C=C\C(=O)OCC(=O)c2ccc(c(C)c2)C)o1)[N+](=O)[O-],0.0
48586,CO-ADD:0320093,2.11,c1(C(OC)=O)sc(c2c1N)cc(cc2OCC(F)(F)F)[N+](=O)[O-],0.0
48587,CO-ADD:0327791,2.11,C1C(=O)C(C(=O)CC(c2ccc(cc2)OC)N3c4ccc(Br)cc4)=C3CC1(C)C,0.0
48588,CO-ADD:0327999,2.11,C1(=O)Nc2c(Oc(cc(cc3Oc4ccc(cc4Br)Br)[N+](=O)[O-])c13)ccc(Cl)c2,0.0
48589,CO-ADD:0327831,2.11,c(C(=O)c1ccc(cc1)Br)(sc(c2c3c(cc4)ccc4C(C)C)nc(c3C(=O)Nc5ccccc5C)C)c2N,0.0
48590,CO-ADD:0327984,2.11,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc(cc3)ccc3S(N)(=O)=O,0.0
48591,CO-ADD:0327816,2.11,C1C[C@@]([H])(C(C)(C)C2)[C@@]2([H])[C@H](CSCCSC[C@@H]3CC[C@H]4[C@](CC[C@]([H])([C@]3([H])C5)C5(C)C)(C)O4)CC[C@H](O6)[C@@]16C,0.0
48592,CO-ADD:0327789,2.11,C1C(=O)C(C(=O)CC(c2ccc(cc2)OC)N3c4cc(C)c(C)cc4)=C3CC1(C)C,0.0
48593,CO-ADD:0327837,2.11,c1(C(=O)Nc2cccc(cccn3)c23)sc4c(c(C)cc(C)n4)c1N,0.0
48594,CO-ADD:0326327,2.11,c1(cc(nn1c2ccc(cc2)OC(Cl)(F)F)C)NC(=O)Nc3cccc(Cl)c3,0.0
48595,CO-ADD:0326375,2.11,C1(C)(C)C(=O)OC(C(CC)(CC)C1=O)C#Cc2ccccc2,0.0
48596,CO-ADD:0326511,2.11,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(c(OC)c4)OC,0.0
48597,CO-ADD:0326527,2.11,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c(cccn4)c4,0.0
48598,CO-ADD:0328183,2.11,S(c1ccccc1)(=O)(=O)c2c(O)c(C)cc(NC(c3ccccc3)=O)c2C(C)C,0.0
48599,CO-ADD:0328515,2.11,C1(=O)N(Cc2ccccc2)N=CN1N,0.0
48600,CO-ADD:0326656,2.11,C(/C(C1)=O)(\C(CS1)=O)=C(\C)/Nc(cc2)ccc2OC,0.0
48601,CO-ADD:0326265,2.11,C12(C#N)C(CCCC3)C3(NC1=O)NC(c4ccco4)C2(C#N)C#N,0.0
48602,CO-ADD:0331274,2.11,c1(nnn(CCCC)n1)c(n2)nc(nc2N(CC3)CCO3)N(CC4)CCO4,0.0
48603,CO-ADD:0319537,2.11,[N+](=O)([O-])\C=C\c(ccc(c1OCC)OCC)c1,0.0
48604,CO-ADD:0306077,2.11,S(=O)(=O)(N(CC1)CCO1)c2ccc(c(cccc3)c23)OC,0.0
48605,CO-ADD:0306840,2.11,C1(=NC(Cc(cccc2)c12)(C)C)C3=NC(Cc(cccc4)c34)(C)C,0.0
48606,CO-ADD:0312583,2.1,C([C@H]1O[C@@]23[C@]([C@@]14[H])([H])[C@@](C5C(OC)=O)(O[C@H]4C5C(OC)=O)CNC2)C3,0.0
48607,CO-ADD:0305564,2.1,n1(Cc(cc2)ccc2[N+](=O)[O-])c3c(nc1C(C)O)cccc3,0.0
48608,CO-ADD:0311705,2.1,C1(SCC(=O)N1c2ccc(c(Cl)c2)C)(c3c(N4CN(CC5)CCN5c6ccccc6F)cccc3)C4=O,0.0
48609,CO-ADD:0312298,2.1,c1(SCc(cc2)ccc2Br)sc3c(ccc(OCC)c3)n1,0.0
48610,CO-ADD:0319890,2.1,c(NC(C)(C)C)(nc(OCC(F)(F)F)nc1Nc(cc2)ccc2OC(F)(F)F)n1,0.0
48611,CO-ADD:0323095,2.1,c12c([nH]nc1c3ccc(cc3)F)OC(N)=C(C#N)C2c4ccc(C)o4,0.0
48612,CO-ADD:0323559,2.1,c1(C(F)(F)F)nc(c2n1CC(=O)NC3CCCCC3)cccc2,0.0
48613,CO-ADD:0324912,2.1,C(=O)(NC(=O)C(C12CCCCC1)C#N)C2C(N)=S,0.0
48614,CO-ADD:0324744,2.1,n1c(N)n[nH]c1CC(=O)N(CC)C2(CCCCC2)C(=O)Nc3ccccc3C,0.0
48615,CO-ADD:0324512,2.1,c(CNC(Cc(ccc(c1OCC)OCC)c1)=O)(cn(n2)C)c2C,0.0
48616,CO-ADD:0323978,2.1,S(=O)(=O)(c(cc1)ccc1C(C)C)NC(CC2(C)C)CC(N2)(C)C,0.0
48617,CO-ADD:0323156,2.1,c(N1CCCCC1C)(nc(N=[N+]=[N-])nc2N3CCCCC3C)n2,0.0
48618,CO-ADD:0321057,2.1,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc4ccccc4,0.0
48619,CO-ADD:0323317,2.1,c1(Sc2nc(C)cc(n2)C(F)(F)F)c(O)nc(c3c1c4ccccc4)ccc(Cl)c3,0.0
48620,CO-ADD:0320078,2.1,C1(=Cc(cccc2)c2OC1c3ccc(c(OC)c3)OCC)[N+](=O)[O-],0.0
48621,CO-ADD:0320635,2.1,C12(\C=C/c(cc3)ccc3OC)N(CC(=O)N1Cc4ccccc4)c5c(cccc5)C2(C)C,0.0
48622,CO-ADD:0320460,2.1,[C@@]1(C)(CC2)C(CC(CCCC3)C13C(C)=O)C(C24)CCC(=C\C(=N\OC)\CC5)[C@@]45C,0.0
48623,CO-ADD:0319334,2.1,[N+](=O)([O-])c(c1)cc(cc1C(NCCOc2ccccc2)=O)C(NCCOc3ccccc3)=O,0.0
48624,CO-ADD:0326483,2.1,n1(CC(=O)N(c2ccc(cc2)OCC)C3(CCCCC3)C(=O)Nc4c(C)cccc4C)nnnc1N,0.0
48625,CO-ADD:0326516,2.1,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccccc4,0.0
48626,CO-ADD:0326436,2.1,C(c(ccc(c1Oc2ccccc2)F)c1)(Oc(cccc3)c3C4=O)=C4O,0.0
48627,CO-ADD:0326565,2.1,C(Nc1ccccc1)(C(OC)=O)(C(F)(F)F)NC(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
48628,CO-ADD:0328032,2.1,S(=O)(=O)(N(CCc1ccccc1)Cc(cc2)ccc2OC)c3cccc(nsn4)c34,0.0
48629,CO-ADD:0327879,2.1,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc4ccccc4,0.0
48630,CO-ADD:0326245,2.1,N1(c2c(C)cccc2C)C(=O)C(CC1=O)NCC(C3)(CC(CC34)CC5C4)C5,0.0
48631,CO-ADD:0326773,2.1,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCO)c4ccc(cc4)Cl,0.0
48632,CO-ADD:0326814,2.1,C(C(=O)c1cccc(OC)c1)(C2c(cccn3)c3)=C(O)C(N2CCc(ccc(c4OC)OC)c4)=O,0.0
48633,CO-ADD:0328976,2.1,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc3sc(c4c3C(OCC)=O)CCC4,0.0
48634,CO-ADD:0329236,2.1,N(Cc1ccccc1)(C(=O)C(C23)C(c4cc(OC)ccc4O)NC2(C)C(O)=O)C3=O,0.0
48635,CO-ADD:0329901,2.1,CN(C)S(=O)(=O)c1cccc(c1n2)ns2,0.0
48636,CO-ADD:0326542,2.1,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3cc(N4CCCCCC4)c(cc3[N+](=O)[O-])F,0.0
48637,CO-ADD:0327978,2.1,n12c(cc(c3ccc(cc3)C)c1)cc(c(C#N)c2N4CCCCCC4)C,0.0
48638,CO-ADD:0328590,2.1,C(C(OC)=O)(C(F)(F)F)(Nc1sc2c(ccc(C(C)C)c2)n1)NC(=O)c3cccc(OC)c3,0.0
48639,CO-ADD:0326651,2.1,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)NCc(cc4)ccc4F)n2,0.0
48640,CO-ADD:0328743,2.1,n1(C2CCCCC2)c(SCC(=O)Nc(nc3)nc(c34)CC(CC4=O)c5ccccc5)nnc1c(cccn6)c6,0.0
48641,CO-ADD:0332319,2.1,C(Nc1cccc(F)c1)(OC(C)=CC2=O)=C2C(C)=O,0.0
48642,CO-ADD:0331855,2.1,N1(c2ccccc2)C(=O)N(N(Cc(cc3)ccc3F)C1=O)Cc(cc4)ccc4F,0.0
48643,CO-ADD:0332559,2.1,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3c4c(cc(cc4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0.0
48644,CO-ADD:0311584,2.1,c1(ccc(cc1Cl)Cl)\C(\CC)=N\NC(N)=S,0.0
48645,CO-ADD:0310788,2.1,C1(Nc2ccc(cc2Cl)Cl)=NC(Cc(cc(OC)c(OC)c3)c13)(C)C.Cl,0.0
48646,CO-ADD:0311636,2.1,c12c(n(c(N(CC3)CCO3)n1)CCC\N=C\N(CC4)CCO4)C(N(C)C(=O)N2C)=O.Cl,0.0
48647,CO-ADD:0306157,2.1,N1(Cc2ccccc2)C(=O)c3c(cc(cc3NN)[N+](=O)[O-])S1=O,0.0
48648,CO-ADD:0305742,2.1,C(C(OCC)=O)(=CN(c1cc(C)ccc1C)C=C2C(OCC)=O)C2c3ccccc3OCC,0.0
48649,CO-ADD:0324390,2.1,c1(S(CC)(=O)=O)c(C(=O)c2ccc(cc2)Cl)n(c3c1S(CC)(=O)=O)ccc(C(C)(C)C)c3,0.0
48650,CO-ADD:0324457,2.1,C1(C(NCCc(ccc(c2OCC)OCC)c2)=O)=Cc3c(OC1=O)cccc3,0.0
48651,CO-ADD:0324761,2.1,C(C(c1ccccc1)=O)(C2c3ccc(cc3Cl)Cl)=C(O)C(N2c4ccc(cc4)OCC(O)=O)=O,0.0
48652,CO-ADD:0321558,2.1,c12c(CCNC1c3ccc(cc3)Br)cc(c(OCC)c2)OCC,0.0
48653,CO-ADD:0321303,2.1,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCCOc(cc(CC)cc4C)c4)c3)\C2=N,0.0
48654,CO-ADD:0319278,2.1,c1(cccc(cccc2)c12)C(NCCOc3ccccc3OC)=O,0.0
48655,CO-ADD:0319286,2.09,C(C1=O)(C23Br)C(C(N1c(ccc(c4C(OC)=O)Cl)c4)=O)C(c(cccc5)c25)(c(cccc6)c36)Br,0.0
48656,CO-ADD:0323213,2.09,N1(CC(=O)NCc2ccccn2)C(=O)c3c(C(C)=N1)cccc3.Cl,0.0
48657,CO-ADD:0324527,2.09,C1(C2c3ccccn3)=C(CCCC1=O)Nc(ccc4c5cccn4)c25,0.0
48658,CO-ADD:0324511,2.09,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
48659,CO-ADD:0324632,2.09,C1(C2c3ccc(cc3)OCCC)=C(CC(C)(C)CC1=O)Nc(ccc4c5cccn4)c25,0.0
48660,CO-ADD:0323089,2.09,N1c(cccc2)c2C(OC1c3ccc(c(OCC)c3)O)(CC)CC,0.0
48661,CO-ADD:0321198,2.09,C(=O)(N(CC1)CCN1c(c(Cl)c2)ncc2C(F)(F)F)NC(=O)c(cccc3C(F)(F)F)c3,0.0
48662,CO-ADD:0324242,2.09,c1(C(NCCc(ccc(c2OCC)OCC)c2)=O)c(OC)cc(c3c1)cccc3,0.0
48663,CO-ADD:0324820,2.09,S(c1ccccc1)(=O)(=O)N(CCc(c23)cc(c(OC)c2)OC)C3C,0.0
48664,CO-ADD:0324564,2.09,C(=N\c(cc1)ccc1Cl)(/SC(C(=O)Nc(cc2)ccc2C(O)=O)CC3=O)\N3CCC(C4)(CC5CC4CC6C5)C6,0.0
48665,CO-ADD:0324589,2.09,C12(C#N)C(c3ccccc3)C(OC1=N)(C)OC(c4ccccc4)C2(C#N)C#N,0.0
48666,CO-ADD:0318771,2.09,c1(cc(ccc1C(NCCOc(cc2)ccc2C)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
48667,CO-ADD:0318991,2.09,N1(c2ccc(cc2)OCC(O)COc(cc3)ccc3[N+](=O)[O-])C(=O)c4c(cccc4)C1=O,0.0
48668,CO-ADD:0319007,2.09,c12c(n(c(N(CC3)CCO3)n1)CCC\N=C(/CCCCC4)\N4)C(N(C)C(=O)N2C)=O,0.0
48669,CO-ADD:0319351,2.09,C(=O)(c1cccc(SC)c1)Nc2c(Cl)cc(c(F)c2)F,0.0
48671,CO-ADD:0319407,2.09,n1(c2ccccc2)c(SCc(cc3)ccc3OCC(OC)=O)nnc1c4ccc(cc4)Cl,0.0
48672,CO-ADD:0326600,2.09,C(=S)(Nc(cc1)ccc1OC([H])(F)F)NC(CC2(C)C)CC(N2)(C)C,0.0
48673,CO-ADD:0326760,2.09,c1(cn(n2)c3ccccc3)c2C(NN=C1c4cccc(cccc5)c45)=O,0.0
48674,CO-ADD:0326278,2.09,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)F)n1Cc5ccccn5,0.0
48675,CO-ADD:0326055,2.09,N1(C(=O)\C(\SC1=N)=C/c(ccc2c3cccc(Cl)c3)o2)c4nonc4NC(C)=O,0.0
48676,CO-ADD:0330020,2.09,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccs2)NC3=C1C(=O)NC(N3c4ccc(cc4)OC)=O,0.0
48677,CO-ADD:0330036,2.09,c(C(NCCc1ccccc1)=O)(c2N)sc3c2cc(c4n3)CCCCC4,0.0
48678,CO-ADD:0329989,2.09,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
48679,CO-ADD:0329773,2.09,C1(C(F)(F)F)(NC(=O)c2ccccc2F)C(=O)N(C(=O)N1)Cc3ccco3,0.0
48680,CO-ADD:0327589,2.09,c1(sc2c3c(C)cc(C)n2)c3N=NNC1=O,0.0
48681,CO-ADD:0329597,2.09,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3c(C)cc(c(OC)c3)C,0.0
48682,CO-ADD:0326491,2.09,C(C(C)=O)(C1c2ccc(cc2)F)=C(O)C(N1c3ccc(cc3)OCC(O)=O)=O,0.0
48683,CO-ADD:0327774,2.09,n(c(CC)[nH]c1CNCCc(c2c([nH]3)ccc(OC)c2)c3C)c1C,0.0
48684,CO-ADD:0326854,2.09,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)N3c4c(C(CN(C)CC5)C35)cc(C)cc4)n2)Cc6ccccc6Cl,0.0
48685,CO-ADD:0327468,2.09,N(C(=O)\C(\S1)=C/c(cc2)ccc2OC(C)C)=C1N(CC3)CCN3c4ccccc4[N+](=O)[O-],0.0
48686,CO-ADD:0328046,2.09,c12c(nnc(SCc(ccc(c3n4)no4)c3)n1)c5c(cccc5)n2C,0.0
48687,CO-ADD:0327777,2.09,c12c(ccc(C(=O)NCc3ccccc3)c1NCCO)C(=O)c(c4C2=O)cccc4,0.0
48688,CO-ADD:0331667,2.09,C1(=S)N(NC(=O)c2ccc(cc2)Cl)C(C(=O)N1c3ccc(cc3)F)CC(=O)Nc(cc4)ccc4F,0.0
48689,CO-ADD:0321116,2.09,c1(NC(=O)c2c(cccc2OC)OC)sc(c3c1C(OC)=O)CCCC3,0.0
48690,CO-ADD:0324142,2.09,N1(c2ccc(c3c2)cccc3)C(=O)C(CC1=O)Sc4nccc(C)n4,0.0
48691,CO-ADD:0324550,2.09,n1(CC=C)c(SCC(=O)Nc2cccc(Br)c2)nnc1c3cccs3,0.0
48692,CO-ADD:0324590,2.09,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c3c1C(OC)=O)CCCC3,0.0
48693,CO-ADD:0323400,2.09,n1(c2cccc(OC)c2)nnnc1SCC(NCCc3ccccc3)=O,0.0
48694,CO-ADD:0319837,2.09,[N+](=O)([O-])c1c(OC)ccc(c1)C(=O)NCc2ccccc2F,0.0
48695,CO-ADD:0321182,2.09,C(F)(F)(C(F)(F)F)\C(\Nc(cc1)ccc1OC)=C(\C#N)/C#N,0.0
48696,CO-ADD:0321231,2.09,c1(SC(=S)N(CC2C)CC(O2)C)c(Cl)c(Cl)nc(Cl)c1C(OCC)=O,0.0
48697,CO-ADD:0319287,2.09,N1(c(cccc2C(F)(F)F)c2)C(=O)C(N(CCc3ccccc3)C1=S)CC(=O)Nc4ccccc4,0.0
48698,CO-ADD:0319295,2.09,c1(OC(=O)C=C2C)c2cc(OC)c(OC)c1,0.0
48699,CO-ADD:0319264,2.09,c1(SCC(NCCOc2ccccc2)=O)nnc[nH]1,0.0
48700,CO-ADD:0321329,2.09,C(C)(C)(C=C(C)CC1C(O)=O)C1C(O)=O,0.0
48701,CO-ADD:0323450,2.09,N1(c2cccc(C)c2C)C(=O)CC(CS3(=O)=O)C1C3,0.0
48702,CO-ADD:0324530,2.09,c1(c2ccccc2O)c3c(CC(C)CC3)nc(ccc(cccc4)c45)c15.Cl,0.0
48703,CO-ADD:0321297,2.09,C(c1c(cccc1)NC2(C)C)(\C(\SS3)=N\c4cc(Cl)ccc4Oc5ccccc5)=C23,0.0
48704,CO-ADD:0319305,2.09,n1(c(C=O)c(c2C=O)c3ccc(cc3)F)c2cc(C)cc1,0.0
48705,CO-ADD:0324813,2.09,S(=O)(=O)(c(cc1)ccc1C(=O)N2CCC(C(CCCC3)C23)=O)N(CC4)CCO4,0.0
48706,CO-ADD:0320848,2.09,c(N(CC1)CCN1c2ccc(cc2)OC)(nc(N3CCCC3)nc4N5CCCC5)n4,0.0
48707,CO-ADD:0320960,2.09,n(c1OCC(F)(F)F)c(OCC(F)(F)F)nc(NCCOC(CC(CC2C3)CC34)(C4)C2)n1,0.0
48708,CO-ADD:0324119,2.09,C1(O)(C(F)(F)F)Oc2c(NC1=O)ccc(C)c2,0.0
48709,CO-ADD:0319892,2.09,c1(C2c3ccco3)c([nH]nc1c4ccc(cc4OCC)OCC)OC(N)=C2C#N,0.0
48710,CO-ADD:0319924,2.09,c1(C2c3ccc(c(OC)c3)OC)c([nH]nc1c4ccc(cc4OCC)OCC)OC(N)=C2C#N,0.0
48711,CO-ADD:0320140,2.08,C1(C2c3ccc(cc3)OCCC)=C(CCCC1=O)Nc(ccc4c5cccn4)c25,0.0
48712,CO-ADD:0319869,2.08,c1(C2c3ccco3)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
48713,CO-ADD:0318765,2.08,c12c(cc(Cl)c(Cl)c1)noc2c3ccccc3,0.0
48714,CO-ADD:0320447,2.08,N1(C(=O)\C(\SC1=N)=C\c(ccc2c3ccc(cc3)F)o2)c4nonc4NC(C)=O,0.0
48715,CO-ADD:0319969,2.08,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(NCCOc2cccc(OC)c2)=O)c1,0.0
48716,CO-ADD:0321122,2.08,C(=O)(c1ccc(c(OC)c1)OCc2cccc(F)c2)Nc3ccccc3F,0.0
48717,CO-ADD:0328398,2.08,[nH]1c(C)c(c(cccc2N\C(\C)=C\C(OCC)=O)c12)C,0.0
48718,CO-ADD:0327431,2.08,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4OCC)cc(c4O)Cl)cc(c(C)c3)C,0.0
48719,CO-ADD:0327463,2.08,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc(cc4)ccc4Br)[N+](=O)[O-])c13)cccc2,0.0
48720,CO-ADD:0325988,2.08,N(Cc1ccccc1)(C(=O)C(C23)C(c4cccc(OCC)c4O)NC2(Cc(c5)[nH]cn5)C(O)=O)C3=O,0.0
48721,CO-ADD:0327120,2.08,N1(CCN2CCCCC2)C(=O)CSC1c(cc3OC)cc(c3OC)OC,0.0
48722,CO-ADD:0327152,2.08,C12(CC(N=C1SC)(C)C)C=CC(C(C)=C2)=O,0.0
48723,CO-ADD:0329845,2.08,n12c(sc(cc(C#N)c(C#N)c3)c13)nnc2c4cccc(OC)c4,0.0
48724,CO-ADD:0328409,2.08,c(C(O)=O)(cn(n1)CCC)c1C,0.0
48725,CO-ADD:0328433,2.08,C(F)(F)(F)Oc(cc1)ccc1NC(=O)CN(CC2)CCO2.Cl,0.0
48726,CO-ADD:0328449,2.08,c(C(OCCNC(c1ccccc1)=O)=O)(c2c3cccc2)c4c(n3)CCCCC4,0.0
48727,CO-ADD:0326433,2.08,c1(cc(oc1C)C)C(=O)NCc(occ2C(O)=O)c2,0.0
48728,CO-ADD:0329626,2.08,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)(=O)(=O)c3ccc(c(C)c3)OC,0.0
48729,CO-ADD:0329674,2.08,S(=O)(=O)(c1ccc(cc1)OC)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
48730,CO-ADD:0328283,2.08,S(=O)(=O)(c1ccc(cc1)F)Nc(cc2)ccc2CC(O)=O,0.0
48731,CO-ADD:0328331,2.08,N(c1ccccc1OC)(C(=O)C(C23)C(c4ccc(cc4O)O)NC2(C)C(O)=O)C3=O,0.0
48732,CO-ADD:0329894,2.08,S(=O)(=O)(c1ccc(c(C)c1C)C)N2CCCCC2c(cccn3)c3,0.0
48733,CO-ADD:0331835,2.08,N1(c2ccc(cc2)Oc3ccccc3)C(=O)CSC14CCC(CC4)C(C)(C)CC,0.0
48734,CO-ADD:0331851,2.08,S(=O)(=O)(c1ccc(cc1)CCNC(C)=O)N2CCCC2C(O)=O,0.0
48735,CO-ADD:0332196,2.08,c1(NC(CCl)=O)cc(OCCO2)c2cc1C(CC)=O,0.0
48736,CO-ADD:0332149,2.08,c1(c2c(s3)CCCC2)c3nc(CCC(C)C4)c4c1N,0.0
48737,CO-ADD:0331990,2.08,c1(NC(=O)c2ccccc2F)n(c3ccccc3)ncc1C(=O)NCc(cccn4)c4,0.0
48738,CO-ADD:0332422,2.08,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(C)c2)NC3=C1C(=O)N(C)C(N3C)=O,0.0
48739,CO-ADD:0332495,2.08,N(CN(CC1)CCO1)(N=C(N2)c3ccc(cc3)C)C2=S,0.0
48740,CO-ADD:0332264,2.08,n1(c(ccc(c2C(OC)=O)Cl)c2)cnnn1,0.0
48741,CO-ADD:0318989,2.08,N1(CC(O)COc(cc2)ccc2c3ccc(cc3)OCC(O)CN4C(=O)C(NC4=O)(C)C)C(=O)C(NC1=O)(C)C,0.0
48742,CO-ADD:0320606,2.08,[N+](=O)([O-])c1ccc(cc1)NCCCNC(=O)c2ccccc2Cl,0.0
48743,CO-ADD:0323449,2.08,N1(c2c(Cl)ccc(Cl)c2)C(=O)CC(CS3(=O)=O)C1C3,0.0
48744,CO-ADD:0319133,2.08,c1(N(CC2)CCO2)scc(c(cc3)ccc3[N+](=O)[O-])n1,0.0
48745,CO-ADD:0319229,2.08,N(c1ccccc1CC)C(COc(ccc(c23)OCO2)c3)=O,0.0
48746,CO-ADD:0321279,2.08,C(=O)(c1cccc(Br)c1)Nc2cccc(C)n2,0.0
48747,CO-ADD:0324571,2.08,[nH]1c(cccc2)c2c(CCNC(=O)\C(\NC(=O)c3ccc(cc3)OCC(C)C)=C\c4ccco4)c1C,0.0
48748,CO-ADD:0323753,2.08,c1(C2OCCO2)c3c(n(c4ccccc4)n1)cc(cc3SC5CCCCC5)[N+](=O)[O-],0.0
48749,CO-ADD:0323889,2.08,C1(C(F)(F)F)(C(F)(F)F)NC(C(Cl)C12)C(C2)O,0.0
48750,CO-ADD:0320798,2.08,n(c1c(n2)cccc1)(c3N)c2c(c(c4cc(OC)c(cc4Cl)O)c3C#N)C#N,0.0
48751,CO-ADD:0321567,2.08,c(c1c(cc2)ccn2)(C3c4ccccc4C(O)=O)c([nH]n1)OC(N)=C3C#N,0.0
48752,CO-ADD:0323097,2.08,c1(C2c3ccc(c(OC)c3)O)c([nH]nc1c4ccc(Cl)s4)OC(N)=C2C#N,0.0
48753,CO-ADD:0320227,2.08,c1(c2ccc(cc2)OCc3ccccc3F)cc(c(cccn4)c4)nc(ccc(cccc5)c56)c16,0.0
48754,CO-ADD:0319426,2.08,c12c(n(cn1)CC(NC(C)C)=N)C(N(C)C(=O)N2C)=O,0.0
48755,CO-ADD:0321036,2.08,c(C(F)(F)F)(c1Cl)nc(c(Cl)c1Nc(cc2)ccc2C)Cl,0.0
48756,CO-ADD:0323669,2.08,C12=C(CC(C)(C)CC1=O)Nc(ccc(cccc3)c34)c4C2c(cc5OC)cc(c5OC)Cl,0.0
48757,CO-ADD:0323949,2.08,c1(Nc(cc2)ccc2OC(F)(Cl)F)nc(NCCCC)nc(OCC(F)(F)F)n1,0.0
48758,CO-ADD:0321025,2.08,C12(CC3CC(CC(C3)C1)C2)N(CC4)CCN4C(=S)Nc(cc5)ccc5C(OCC)=O,0.0
48759,CO-ADD:0323876,2.08,c12c(CCNC1c3ccc(cc3)OC(F)F)cc(c(OCC)c2)OCC.Cl,0.0
48760,CO-ADD:0320699,2.08,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc(ccc(c23)c4c(cccc4)o2)c3,0.0
48761,CO-ADD:0320581,2.08,c1(OCC)cc(ccc1OCC)CC(O)=O,0.0
48762,CO-ADD:0320358,2.08,C1(=Cc2c(ccc(cccc3)c23)OC1c4ccc(c(OC)c4)OC)[N+](=O)[O-],0.0
48763,CO-ADD:0320366,2.08,c12c(CCNC1c3ccccc3OC)cc(c(OCC)c2)OCC,0.0
48764,CO-ADD:0319492,2.07,C(=O)(Nc(cc1)ccc1N(CC)CC)c2ccccc2OCC(=O)Nc3ccccc3Cl,0.0
48765,CO-ADD:0319220,2.07,C(=O)(C(c1ccccc1)c2ccccc2)NCc3ccccc3F,0.0
48766,CO-ADD:0319205,2.07,c1(NC(COc2ccccc2C)=O)sc(c3c1C(OC)=O)CCCC3,0.0
48767,CO-ADD:0319439,2.07,C(NCCOc1ccccc1F)(=O)\C=C\c2ccccc2,0.0
48768,CO-ADD:0319955,2.07,c1(noc(Cc(cc2)ccc2[N+](=O)[O-])n1)c3nonc3N,0.0
48769,CO-ADD:0327116,2.07,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c(cc5OC)cc(c5O)Br)cccc4,0.0
48770,CO-ADD:0326361,2.07,S(=O)(=O)(c(cc1)ccc1C(=O)NCc2ccco2)N3CCC(CC3)C,0.0
48771,CO-ADD:0327277,2.07,N(C(=O)\C(\S1)=C\c(cc2)ccc2OCc3ccccc3F)=C1N4CCCC4,0.0
48772,CO-ADD:0327573,2.07,S(=O)(=O)(N(CC)Cc1ccccc1)c2c(C)cc(nc2Cl)Cl,0.0
48773,CO-ADD:0327342,2.07,C1(OC2)(OCC2(C)[N+](=O)[O-])c3c(N(C)C1=O)cccc3,0.0
48774,CO-ADD:0326570,2.07,C(C(OC)=O)(Nc1c(OC)ccc(Cl)c1)(C(F)(F)F)NC(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
48775,CO-ADD:0326026,2.07,c1(sc2c(ccc(c2)NC(=O)c3ccccc3Br)n1)S(=O)(=O)CC(=O)Nc4c(C)ccc(Cl)c4,0.0
48776,CO-ADD:0326034,2.07,n1(c2ccccc2)ncc(c3[nH]nnn3)n1,0.0
48777,CO-ADD:0326074,2.07,N1(N=C(N2)NC(C)=O)C2=NC(COC)=CC1=O,0.0
48778,CO-ADD:0326531,2.07,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(CC)s4,0.0
48779,CO-ADD:0328339,2.07,C(C)(C1)(COC(c2ccccc2)O1)C(=O)NCc3ccco3,0.0
48780,CO-ADD:0328612,2.07,C1(O)(CC(=O)C(C)(C)C)Sc(cccc2)c2N=C1\C=C(/O)\C(C)(C)C,0.0
48781,CO-ADD:0329204,2.07,S(=O)(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)C)c3ccc(c(cccc4)c34)OCC,0.0
48782,CO-ADD:0327934,2.07,c(sc(c12)nc(c(Cl)c1C)C)(C3=O)c2N=NN3c4cccc(cccc5)c45,0.0
48783,CO-ADD:0327966,2.07,C(O)(C(OC)=O)(C(F)(F)F)c1c(C)cc(c(C(C)C)c1)O,0.0
48784,CO-ADD:0326022,2.07,c1(sc(c2c1C(=O)Nc3ccccc3)CCCC2)\N=C(/c4c(N5CC=C)cccc4)\C5=O,0.0
48785,CO-ADD:0331946,2.07,S(=O)(=O)(c1ccc(c(OC)c1)Cl)NC(c2ccc(cc2)OC)CC(OCC)=O,0.0
48786,CO-ADD:0331987,2.07,C(=O)(N(CC1)CCN1C(OCC)=O)c2ccccc2NC(=O)c3ccc(cc3)Br,0.0
48787,CO-ADD:0332515,2.07,N1C(COc(ccc(CNC(CCl)=O)c2)c12)=O,0.0
48788,CO-ADD:0331923,2.07,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N(CC3)CCN3c4ccccc4,0.0
48789,CO-ADD:0332320,2.07,C(C(OCC)=O)C(NCc(ccc(c12)OCO1)c2)c3ccccc3Cl,0.0
48790,CO-ADD:0331747,2.07,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OC)c4)O,0.0
48791,CO-ADD:0331076,2.07,n(c(cccc1)c1n2CCCOc3ccccc3)c2CCCO,0.0
48792,CO-ADD:0331676,2.07,c1([N+](=O)[O-])nn(c(C)c1Br)CC(=O)N(C)c2ccc(cc2)OC(F)(F)F,0.0
48793,CO-ADD:0331013,2.07,C1(C=Nc(c2N3)cccc2C(C)=O)=C3CC(C)(C)CC1=O,0.0
48794,CO-ADD:0332085,2.07,S(=O)(=O)(NCC(c1ccccc1)CC(O)=O)c2c(C)c(C)cc(C)c2C,0.0
48795,CO-ADD:0323425,2.07,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(NCCc(ccc(c3OCC)OCC)c3)=O)n2)Cc4ccccc4F,0.0
48796,CO-ADD:0320224,2.07,c1(c(cc2OCC)cc(c2O)Br)c3c(ccc(cccc4)c34)nc(CCC(C)C5)c15,0.0
48797,CO-ADD:0321280,2.07,C1(C#N)(C#N)C(N)=C(C#N)C(=CC1(C)c2c(C)non2)c3c(C)non3,0.0
48798,CO-ADD:0323098,2.07,c1(C2c(cc3)ccc3C(OC)=O)c([nH]nc1c4ccc(Cl)s4)OC(N)=C2C#N,0.0
48799,CO-ADD:0323938,2.07,N1(CC(NCCc(c2C)c(c(Cl)ccc3Cl)c3[nH]2)=O)C(=O)c4c(C(c5ccc(cc5)Cl)=N1)cccc4,0.0
48800,CO-ADD:0323686,2.07,n1cn[nH]c1SCc2ccccc2Cl,0.0
48801,CO-ADD:0323910,2.07,C1(=C(C)NC(NC1=O)=O)S(NCCC(CC(CC2C3)CC34)(C4)C2)(=O)=O,0.0
48802,CO-ADD:0323934,2.07,N1(CC(NCCc(c2C)c(ccc(c3Cl)Cl)c3[nH]2)=O)C(=O)c4c(C(c5ccc(cc5)Cl)=N1)cccc4,0.0
48803,CO-ADD:0321295,2.07,C1(\C(=N\CCc(ccc(c2OC)OC)c2)\SS3)=C3C(Nc(ccc(C)c4)c14)(C)C,0.0
48804,CO-ADD:0320679,2.07,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c3ccc(Br)o3)c2C,0.0
48805,CO-ADD:0320616,2.07,S(=O)(=O)(c1ccc(cc1)NC(CSc2nnc(c(cccn3)c3)n2CC=C)=O)Nc4sccn4,0.0
48806,CO-ADD:0320048,2.06,c12c(c3c(CCCC3)nc1N)C(N(C)C2=O)=O,0.0
48807,CO-ADD:0319593,2.06,C12=C(CCCC1=O)Nc(c3C2c4cc(OC)ccc4OC)ccc5c3cccn5,0.0
48808,CO-ADD:0319883,2.06,c1(N(CC2)CCN2c3cccc(Cl)c3)nc(OC)nc(Nc(cc4)ccc4OC(Cl)(F)F)n1,0.0
48809,CO-ADD:0319502,2.06,o1c(SCC(=O)c2ccc(c3c2)CCCC3)nnc1c4cccc(Br)c4,0.0
48810,CO-ADD:0319201,2.06,c1(NC(=O)c(ccc(c2Cl)Cl)c2)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
48811,CO-ADD:0319225,2.06,c1(NC(=O)c2ccccc2OC)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
48812,CO-ADD:0328535,2.06,N1(Cc2ccccc2)C(=O)C(Cc(cc3)ccc3OCC)C(NC1=O)=O,0.0
48813,CO-ADD:0328727,2.06,C(=O)(Nc(cc1)ccc1CC#N)c(ccc(c23)OCO2)c3,0.0
48814,CO-ADD:0329137,2.06,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)ccc2CC#N,0.0
48815,CO-ADD:0329169,2.06,c1(nnc(S)n1c(cc2)ccc2C(O)=O)c3[nH]nc(C4CC4)c3,0.0
48816,CO-ADD:0328242,2.06,c1(c(O)c(C)c(c(NS(=O)(=O)c2ccc(cc2)Cl)c1)C)S(=O)(=O)c3ccc(cc3)OC,0.0
48817,CO-ADD:0327745,2.06,C1(NCc2ccccc2Cl)(C(F)(F)F)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
48818,CO-ADD:0327377,2.06,C1(CCC(NC1c(cc2OC)cc(c2O)Cl)=O)[N+](=O)[O-],0.0
48819,CO-ADD:0326423,2.06,C1(c(cc2)ccc2C(C)(C)C)(OC(C3(C)C)=O)C3OC(=O)C1(C)C,0.0
48820,CO-ADD:0326047,2.06,S(=O)(=O)(c1ccc(cc1)C)N(C)CC(OCC)=O,0.0
48821,CO-ADD:0329588,2.06,S(=O)(=O)(Nc(cc1)ccc1OCC(O)=O)c2ccc(c(cccc3)c23)OC,0.0
48822,CO-ADD:0332225,2.06,C1(C(OCCOC)=O)=C(C)NC(NC1c2cc(Br)ccc2OC)=O,0.0
48823,CO-ADD:0332411,2.06,C1(C(F)(F)F)(C(F)(F)F)N=C2N(C(c3ccccc3F)=N1)C=C(Cl)C=C2Cl,0.0
48824,CO-ADD:0332293,2.06,N(NC(=O)c1ccc(cc1)Cl)(C(CC(=O)Nc(cc2)ccc2F)C(N3C)=O)C3=S,0.0
48825,CO-ADD:0331053,2.06,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNCc(cc3)ccc3Cl)c2C,0.0
48826,CO-ADD:0318998,2.06,C(NCCOc1ccccc1F)(=O)c(cc2)ccc2C(C)(C)C,0.0
48827,CO-ADD:0319022,2.06,C(C(=O)c1ccc(cc1)Cl)(=C(O)C(N2Cc(cccn3)c3)=O)C2c4ccccc4[N+](=O)[O-],0.0
48828,CO-ADD:0319358,2.06,C(=O)(Nc(cc1)ccc1Oc(cc2)ccc2Cl)C3(CCCC3)c4ccccc4,0.0
48829,CO-ADD:0319999,2.06,S(=O)(=O)(Nc1c(Cl)ccc(Cl)c1)c2ccc(c3c2cccn3)OC,0.0
48830,CO-ADD:0320056,2.06,[N+](=O)([O-])c1c(Cl)ccc(C(=O)c2ccc(c(C)c2)C)c1,0.0
48831,CO-ADD:0320672,2.06,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c3ccccc3F)c2C,0.0
48832,CO-ADD:0320112,2.06,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(OCC)c3)n1,0.0
48833,CO-ADD:0320304,2.06,n1c(CCNC(=O)c(cc2)ccc2C(NCCc3scc(c4ccccc4)n3)=O)scc1c5ccccc5,0.0
48834,CO-ADD:0320968,2.06,n1(c(cc2)ccc2C(=O)N(C)C(CC3(C)C)CC(N3)(C)C)cnnn1,0.0
48835,CO-ADD:0323250,2.06,c1(SCC(=O)Nc(cc2)ccc2OC(F)(F)F)[nH]c(c3n1)ccc(OCC)c3.Cl,0.0
48836,CO-ADD:0320666,2.06,c1(C2c3ccc(c(OCC)c3)OCC)c([nH]nc1c4ccc(cc4OCC)OCC)OC(N)=C2C#N,0.0
48837,CO-ADD:0323591,2.06,C1(C2)(CC(CC(=O)C1)(CN2CCO)[N+](=O)[O-])[N+](=O)[O-],0.0
48838,CO-ADD:0323743,2.06,c1(c(Cl)ccc(Cl)n1)C(=O)Nc2ccccc2O,0.0
48839,CO-ADD:0319538,2.06,C(C(OC)=O)(C(OC)=O)C(C[N+](=O)[O-])c1ccc(c(OCC)c1)OCC,0.0
48840,CO-ADD:0329154,2.06,C1(c2ccc(c3n2)cccc3)=CN(C)c(c4C1c5cccc(cccc6)c56)cccc4,0.0
48841,CO-ADD:0329556,2.06,S(=O)(=O)(NC(c1ccc(cc1)OC)CC(OCC)=O)c2c(OC)ccc(Cl)c2,0.0
48842,CO-ADD:0327653,2.06,c1(C(=O)NC(N2C(C)=O)c3ccc(cc3)F)c2c(c4s1)c(COC)cc(C)n4,0.0
48843,CO-ADD:0327661,2.06,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1CCCC)CC,0.0
48844,CO-ADD:0328892,2.06,c1(nnc(c2ccc(c(OC)c2)OC)o1)c(c(C)nc(c3C(OCC)=O)C)c3,0.0
48845,CO-ADD:0327904,2.06,C(CC)(CC)(C(=O)\C=C\c(cc1)ccc1N(C)C)C(OCC)=O,0.0
48846,CO-ADD:0327656,2.06,c1(sc2c3c(COC)cc(C)n2)c3N=NN(CCc(ccc(c4OCC)OCC)c4)C1=O,0.0
48847,CO-ADD:0327952,2.06,C(OC)(F)(C(F)(F)F)C(=O)Nc(cc1)ccc1Oc2ccccc2,0.0
48848,CO-ADD:0328114,2.06,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3cc(C)ccc3C,0.0
48849,CO-ADD:0329950,2.06,[nH]1c(cccc2)c2c(CCNC(=O)C3CC=CCC3C(O)=O)c1C,0.0
48850,CO-ADD:0329383,2.06,c1(N2CCCCC2c3ccccn3)nc(N\N=C\c(cc4)ccc4[N+](=O)[O-])nc(OCC(F)(F)F)n1,0.0
48851,CO-ADD:0327232,2.06,S(NCCCC(O)=O)(=O)(=O)c1ccc(Br)s1,0.0
48852,CO-ADD:0332226,2.06,C1(C(OCCOC)=O)=C(C)NC(NC1c2ccc(c(Br)c2)F)=O,0.0
48853,CO-ADD:0331461,2.06,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc2C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
48854,CO-ADD:0331469,2.05,n1(c(cccc2[N+](=O)[O-])c2nn1)C3(CC4CC(CC5(C4)O)C3)C5,0.0
48855,CO-ADD:0330944,2.05,c1(C(=O)Nc2cccc(cccc3)c23)sc4c(c(C)cc(C)n4)c1N,0.0
48856,CO-ADD:0331401,2.05,c1(nnc(n2)S)c2c3c(cccc3)[nH]1,0.0
48857,CO-ADD:0330921,2.05,c(C(=O)Nc1ccc(cc1Cl)Cl)(sc(c23)nc(c(Cl)c2C)C)c3N,0.0
48858,CO-ADD:0330937,2.05,c1(C#N)c(COC)cc(nc1SCC[N+](C)(C)CC(=O)Nc2cccc(C)c2)C.[Cl-],0.0
48859,CO-ADD:0331500,2.05,N1(c2ccccc2C(F)(F)F)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
48860,CO-ADD:0331156,2.05,n1(Cc2ccccc2)c3c(nc1COc4cccc(cccc5)c45)cccc3,0.0
48861,CO-ADD:0320697,2.05,C1(NC(=O)c2cc(ccc2Cl)SC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
48862,CO-ADD:0319698,2.05,C1(=C(CC(c2ccc(cc2)Cl)CC1=O)Nc(c3N4C(C)=O)cccc3)C4c5ccc(c(OCC)c5)OCc(cc6)ccc6Cl,0.0
48863,CO-ADD:0320074,2.05,c12c(ccc(C(=O)NCc3ccccc3)c1SC)C(=O)c(c4C2=O)cccc4,0.0
48864,CO-ADD:0320090,2.05,c1(C(OC)=O)sc(c2c1N)cc(cc2Sc3ccccc3)[N+](=O)[O-],0.0
48865,CO-ADD:0323212,2.05,N(CC(S1)C(O)=O)(C2=O)C1=NC(c3c(cccc3)CC45CCCC4)=C25,0.0
48866,CO-ADD:0323556,2.05,c(SC(C)C(O)=O)([nH]c(c1c2ccccc2)c3ccccc3)n1,0.0
48867,CO-ADD:0324028,2.05,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3c(OC)ccc(Cl)c3,0.0
48868,CO-ADD:0323965,2.05,S(NCCOC(C1)(C2)CC(CC2CC13)C3)(=O)(=O)c4c(C)ccc(c4)[N+](=O)[O-],0.0
48869,CO-ADD:0321011,2.05,c1(ccc(c(cccc2)c12)F)C(=O)NCc(cc3)ccc3C(C)C,0.0
48870,CO-ADD:0321035,2.05,C1(C2=O)C(NN=C1C(=O)c3ccco3)C(N2c4ccc(cc4)C)=O,0.0
48871,CO-ADD:0323528,2.05,c1(c2c(sc1NC(=O)c3ccccc3Br)CCCC2)C(=O)OC(C)C,0.0
48872,CO-ADD:0324408,2.05,C(C#N)(C1=O)=C(c2ccccc2)N=C(SCC(=O)Nc(cc3)ccc3OC(F)(F)Cl)N1,0.0
48873,CO-ADD:0324114,2.05,c(OC(=O)C=C1C)(c(C)c2O)c1cc2C(CC)=O,0.0
48874,CO-ADD:0324570,2.05,[N+](=O)([O-])c(cccc1\C=C(\C(NCCc(c2c([nH]3)cccc2)c3C)=O)/NC(=O)c4ccco4)c1,0.0
48875,CO-ADD:0324347,2.05,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5OC)c2,0.0
48876,CO-ADD:0324123,2.05,N(Cc1ccccc1)(Cc2ccccc2)CC(=O)OCC(=O)c3ccc(cc3)C,0.0
48877,CO-ADD:0318761,2.05,s1c(N)nnc1SCC(=O)Nc2c(C)cccc2C,0.0
48878,CO-ADD:0318802,2.05,c1(c2ccccc2Cl)c3c(CCC(CC)C3)nc(N)c1C#N,0.0
48879,CO-ADD:0320431,2.05,n1(nnc(C(O)=O)c1CN(C)C)c2nonc2N,0.0
48880,CO-ADD:0320152,2.05,C12=C(CCCC1=O)Nc(c3C2c4ccc(c(OC)c4)OCc5ccccc5)ccc6c3ccc(n6)C,0.0
48881,CO-ADD:0327838,2.05,C(C#N)(C(C)(C)C(C#N)C(N1)=O)=C1SCC(=O)Nc2ccccc2,0.0
48882,CO-ADD:0327846,2.05,c1(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
48883,CO-ADD:0325962,2.05,C(NCCOC(C1)(CC(CC12)CC3C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccccc4OC,0.0
48884,CO-ADD:0327590,2.05,c1(C2=O)c(NC(c3ccco3)N2Cc4ccco4)c(c5s1)c(COC)cc(C)n5,0.0
48885,CO-ADD:0326707,2.05,c12c(CCN(C[C@@]([H])(C[C@@]([C@@]3([H])C(NN)=O)([H])O)[C@]4([H])C3)[C@]1([H])C4)c5c(cccc5)[nH]2,0.0
48886,CO-ADD:0326732,2.05,c1(ccc(cc1Cl)Cl)C(=O)NNC(=S)Nc2ccccc2OC,0.0
48887,CO-ADD:0327937,2.05,c1(C#N)c(C)c(Cl)c(nc1SCc2ccccc2Cl)C,0.0
48888,CO-ADD:0326654,2.05,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc4c(C)ccc(F)c4)n2,0.0
48889,CO-ADD:0326774,2.05,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccccc4)c5ccc(cc5)Cl,0.0
48890,CO-ADD:0328835,2.05,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc(cc2)ccc2CC#N,0.0
48891,CO-ADD:0326162,2.04,c1(SCC(=O)Nc(cc2)ccc2OC(F)(F)F)oc(c3n1)cccc3,0.0
48892,CO-ADD:0328597,2.04,N1(C(c(ccc(c23)OCO2)c3)C(=O)Nc4c(C)cccc4C)C(c5ccc(c(OC)c5)OC)CC1=O,0.0
48893,CO-ADD:0328309,2.04,C(C(=O)c1ccc(cc1)C)(C2c3ccc(c(OC)c3)O)=C(O)C(N2CCN(CC4)CCO4)=O,0.0
48894,CO-ADD:0331406,2.04,n12c(nc(cc1C(F)(F)F)c3ccc(c(OC)c3)OC)cc(C(=O)OCC4CCCN5C4CCCC5)n2,0.0
48895,CO-ADD:0330838,2.04,c1(OC)nc(Cl)cc(C)c1C(O)=O,0.0
48896,CO-ADD:0330982,2.04,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(NCCc(c4c([nH]5)cccc4)c5)=O)c1C)cc(OC)cc3,0.0
48897,CO-ADD:0331252,2.04,c1(NC(CSc2[nH]c(c3n2)ccc(OCC)c3)=O)c(c4ccccc4)nc(cccc5)n15,0.0
48898,CO-ADD:0331133,2.04,c1(C(C)O)n(CCCOc2ccccc2)c3c(cccc3)n1,0.0
48899,CO-ADD:0332407,2.04,C(C(OC)=O)(C(F)(F)F)(N=C1c2ccccc2)N=C3N1C=C(C=C3Cl)Cl,0.0
48900,CO-ADD:0331677,2.04,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)OC)cc(C(=O)NCC(C4)(CC5CC4CC6C5)C6)n2,0.0
48901,CO-ADD:0320325,2.04,C(=N\c1ccccc1)(/SC(C(=O)Nc(cc2)ccc2OC(F)(Cl)F)CC3=O)\N3CCc4ccccc4,0.0
48902,CO-ADD:0324007,2.04,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2ccc(c(Cl)c2OC)Cl,0.0
48903,CO-ADD:0324023,2.04,C1(=Cc2c(OC1=O)cccc2)C(=O)NC3=CC=CNC3=O,0.0
48904,CO-ADD:0323992,2.04,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4ccc(c(Cl)c4OC)Cl,0.0
48905,CO-ADD:0324000,2.04,S(=O)(=O)(NC(CC1(C)C)CC(N1)(C)C)c2cc(C)ccc2OC,0.0
48906,CO-ADD:0323362,2.04,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c(c3c4cccc3)nnc4Nc5ccccc5C)c2,0.0
48907,CO-ADD:0323131,2.04,S(=O)(=O)(N(CCCC)CCCC)c1[nH]ncn1,0.0
48908,CO-ADD:0320945,2.04,c12c(CCCC1C(=O)NCC(N)=O)c3c(ccc(Cl)c3)[nH]2,0.0
48909,CO-ADD:0324883,2.04,c1(C(OCC)=O)c(Cl)nc(c(Cl)c1Nc2cccc(F)c2)Cl,0.0
48910,CO-ADD:0323950,2.04,c1(Nc(cc2)ccc2OC(F)(F)F)nc(NCCCC)nc(OCC(F)(F)F)n1,0.0
48911,CO-ADD:0321259,2.04,C1(SC(C)=O)=N\C(\C(=O)N1)=C/c(cc2c(n3)ccc(OC)c2)c3O,0.0
48912,CO-ADD:0321421,2.04,N(c1c(cccc1)NC(CC(c2ccco2)CC3=O)=C34)(C(=O)c(cc5OC)cc(c5OC)OC)C4c(cc6OC)cc(c6OC)OC,0.0
48913,CO-ADD:0321429,2.04,c(N(CC1)CCN1c(c(Cl)c2)ncc2C(F)(F)F)(c(F)c3F)c(F)c(n3)F,0.0
48914,CO-ADD:0320847,2.04,C(/N1)(\c2c(CC1(C)C)cc(C)c(C)c2)=C\C(N)=O,0.0
48915,CO-ADD:0323840,2.04,c1(N(CC2)CCN2C34CC5CC(CC(C5)C3)C4)nc(Nc(cc6)ccc6OC(F)(F)F)nc(N(C)C)n1,0.0
48916,CO-ADD:0320506,2.04,C(=N/c1cc(Cl)cc(Cl)c1)(/SC(C(=O)Nc(cc2)ccc2OC(F)(Cl)F)CC3=O)\N3CC,0.0
48917,CO-ADD:0320495,2.04,C(=N/c(cc1)ccc1Br)(/SC(C(=O)Nc(cc2)ccc2OC(F)(Cl)F)CC3=O)\N3CC,0.0
48918,CO-ADD:0318678,2.04,c(c1c(cc2)ccn2)(C3c4ccc(cc4)OCc5c(cccc5F)Cl)c([nH]n1)OC(N)=C3C#N,0.0
48919,CO-ADD:0318767,2.04,c1(SCc(cccc2C(OC)=O)c2)[nH]c(c3n1)cccc3,0.0
48920,CO-ADD:0326453,2.04,C(C(C)(C)NC(CCC(OCC)=O)=O)#C,0.0
48921,CO-ADD:0326150,2.04,S(=O)(=O)(c1ccc(c(NS(C)(=O)=O)c1C)C)Nc2cc(on2)C,0.0
48922,CO-ADD:0326166,2.04,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3C(C)(C)C,0.0
48923,CO-ADD:0326030,2.04,S(=O)(=O)(Nc(cc1)ccc1F)N2CCCCC2,0.0
48924,CO-ADD:0326414,2.04,C(=O)(N(CC1)CCO1)C2(CCCC2)c3ccc(c(OC)c3)OC,0.0
48925,CO-ADD:0328653,2.04,S(c1ccccc1)(=O)(=O)c(cc2)ccc2C(=O)NCC(CC3CC4CC5C3)(C4)C5,0.0
48926,CO-ADD:0328669,2.04,C1(SC2C(O)=O)=C(C(C23)c4c(OC3=O)cccc4)SC(=O)N1Cc5ccccc5,0.0
48927,CO-ADD:0328773,2.04,C(=C/c(cc1)ccc1OCC(N)=O)(/C2=O)\C(c3ccccc3)=NO2,0.0
48928,CO-ADD:0327616,2.04,N1(c(cc2)ccc2C(=O)N3CCCC3C(O)=O)C(=O)C4C(C5CC4C=C5)C1=O,0.0
48929,CO-ADD:0326816,2.04,n1(c2c(C)cccc2C)nnnc1C(NCCc(c3c([nH]4)cccc3)c4C)c5ccc(cc5Cl)Cl,0.0
48930,CO-ADD:0326240,2.04,c1(C(CC(OCC)=O)C#N)c2c([nH]c1)cccc2,0.0
48931,CO-ADD:0329359,2.04,c(CN(Cc1ccco1)C(CCC(O)=O)=O)(c(C)n(c2C(OCC)=O)[H])c2C,0.0
48932,CO-ADD:0329975,2.04,c12n(ncn1N)c(nn2)SCC(=O)Nc3cc(OCO4)c4cc3C(C)=O,0.0
48933,CO-ADD:0329232,2.04,CN(N=NN1[C@H]2CC(=O)[C@H](O3)O[C@@H]2C3)C1=S,0.0
48934,CO-ADD:0330733,2.04,n1(n2)c(nc(cc1C(Cl)(F)F)c3cccs3)cc2C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
48935,CO-ADD:0331637,2.04,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2C34CC(CC5C3)CC(C5)C4,0.0
48936,CO-ADD:0320025,2.04,c12c(CCNC1c3ccc(cc3)F)cc(c(OCC)c2)OCC,0.0
48937,CO-ADD:0318953,2.03,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(C)c4)c5ccc(cc5)OC,0.0
48938,CO-ADD:0319018,2.03,N1(O)C(C)(C)CC(CC1(C)C)CCNC(=O)C(F)(F)F,0.0
48939,CO-ADD:0319546,2.03,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc(cc2)ccc2C)SCc3ccccc3,0.0
48940,CO-ADD:0320314,2.03,C(C#N)(=C1N)C2(CCCCC2)C(C(SCC(=O)Nc3ccccc3)=N1)C(N)=O,0.0
48941,CO-ADD:0323241,2.03,c(C(=O)NC(N1)c2ccco2)(sc3c4c(COC)cc(C)n3)c14,0.0
48942,CO-ADD:0321046,2.03,N1(c(cc2)ccc2C(OC)=O)C(=O)CC(N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)C1=O,0.0
48943,CO-ADD:0324794,2.03,n1c(N(CCCC)CCCC)nc(nc1N2CCCCC2)Nc(cc3)ccc3OC(F)(Cl)F,0.0
48944,CO-ADD:0324522,2.03,S(=O)(=O)(NC1CCCCC1)C2=C(C)NC(NC2=O)=O,0.0
48945,CO-ADD:0323571,2.03,c1(ccc(cc1N(CC2)CCN2Cc3ccccc3)N4CCCC4)[N+](=O)[O-],0.0
48946,CO-ADD:0323307,2.03,C1(Sc2c(c3ccccc3)c4c(nc2O)cccc4)=NC(CCC)=CC(=O)N1,0.0
48947,CO-ADD:0321000,2.03,N1(CCc(cc2)ccc2F)C(=O)NC(C([S+](C)C)=C1[O-])=O,0.0
48948,CO-ADD:0323996,2.03,S(NCCOC(C1)(CC(C2)CC3CC12)C3)(=O)(=O)c4ccc(cc4)OC,0.0
48949,CO-ADD:0324044,2.03,c1(c(F)cc(c(Cl)c1)C#N)N(CC2)CCN2C(CC)=O,0.0
48950,CO-ADD:0318846,2.03,C(C(=O)c1ccc(cc1)Cl)(C2c3cccc(F)c3)=C(O)C(N2Cc(cccn4)c4)=O,0.0
48951,CO-ADD:0324628,2.03,C(C1=O)(C(C(OC)=O)=NN2c3ccccc3OC)C2C(N1c4ccc(cc4)Cl)=O,0.0
48952,CO-ADD:0319692,2.03,N(c1c(cccc1)NC(CC(c2ccc(cc2)C)CC3=O)=C34)(C(=O)c5ccc(cc5)Cl)C4c6ccc(c(OC)c6)OC,0.0
48953,CO-ADD:0324161,2.03,N1(C(=O)\C(\SC1=N)=C/c(ccc2c(cccc3C(F)(F)F)c3)o2)c4nonc4NC(C)=O,0.0
48954,CO-ADD:0324227,2.03,c12c(n(cn1)CCC(NC(C)C)=N)C(N(C)C(=O)N2C)=O.Cl,0.0
48955,CO-ADD:0323819,2.03,N1(C(C)(C)CC(CC1(C)C)OC(c2ccccc2)=O)OC(=O)c(cc3)ccc3n4cnnn4,0.0
48956,CO-ADD:0324188,2.03,C1(c2ccc(c3n2)cccc3)=C(C#N)c(cccc4)c4N(C)C1=O,0.0
48957,CO-ADD:0323060,2.03,c12c(CCNC1c(ccc(c34)OCCO3)c4)cc(c(OCC)c2)OCC.Cl,0.0
48958,CO-ADD:0318719,2.03,N(CCc1ccccc1)(C(=O)\C(=C\c(ccc2c3ccc(cc3)Cl)o2)\C(=C4C#N)C)C4=O,0.0
48959,CO-ADD:0326094,2.03,N1(CCCCCC(=O)NC(c2ccc(cc2)Cl)CC(O)=O)C(=O)c(c3C1=O)cccc3,0.0
48960,CO-ADD:0328701,2.03,C1(C)(CC2)C(C[C@@H](C[N+](=O)[O-])C1\C(\C)=N\OC(CC)=O)C(C23)CC=C(CC(CC4)OC(C)=O)C34C,0.0
48961,CO-ADD:0330014,2.03,C1(C(F)(F)F)(NC(=O)c2cccc(C)c2)C(=O)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
48962,CO-ADD:0330022,2.03,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)Cl)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
48963,CO-ADD:0328850,2.03,N1c(cc2)c(cc2C(=O)N3CCCC3)C4C(CC=C4)C1c(cc5)ccc5[N+](=O)[O-],0.0
48964,CO-ADD:0328130,2.03,S(=O)(=O)(c(cc1)ccc1C(=O)Nc2ccc(c(cccn3)c23)Br)N4CCCCC4,0.0
48965,CO-ADD:0329368,2.03,c1(cc(OCCO2)c2cc1C(CC)=O)NC(=O)c3cccc(Cl)c3,0.0
48966,CO-ADD:0327560,2.03,c1(C(NCC=C)=O)c(C)c(Cl)c(nc1Cl)C,0.0
48967,CO-ADD:0327217,2.03,C(COc(cc1)ccc1C2CCCCC2)(NCCOc(cc3)ccc3Cl)=O,0.0
48968,CO-ADD:0328659,2.03,N1(CCC(C(CCCC2)C12)=O)C(=O)c(cc3)ccc3S(c4ccccc4)(=O)=O,0.0
48969,CO-ADD:0328723,2.03,C(O1)(C2=O)C(C(N1c3ccccc3)c4ccc(cc4)OC)C(N2c5ccc(cc5)C)=O,0.0
48970,CO-ADD:0332562,2.03,S(=O)(=O)(c1ccc(cc1)Br)N(CC2)CCN2c3ccc(cc3C(F)(F)F)[N+](=O)[O-],0.0
48971,CO-ADD:0332217,2.03,C1(C(OC)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC)Br)=O,0.0
48972,CO-ADD:0319008,2.03,c12c(n(c(N(CC3)CCO3)n1)CCC\N=C(/CCCC4)\N4)C(N(C)C(=O)N2C)=O,0.0
48973,CO-ADD:0319977,2.03,c1(N(C)C2=O)c(n(cn1)Cc3ccccc3)C(N2Cc(cc4)ccc4CN(C5=O)C(=O)N(c6c5n(Cc7ccccc7)cn6)C)=O,0.0
48974,CO-ADD:0318985,2.03,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2)CC(O)CN(CCCC)CCCC,0.0
48975,CO-ADD:0323366,2.03,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5Cl)c2,0.0
48976,CO-ADD:0323206,2.03,C(=O)(C(c1ccccc1)NC(=O)c2cc[nH]n2)Nc3c(C)cccc3C,0.0
48977,CO-ADD:0324771,2.03,C(C(C)=O)(C1c2ccc(cc2)Cl)=C(O)C(N1CCNCCO)=O,0.0
48978,CO-ADD:0324811,2.03,S(=O)(=O)(c(cc1)ccc1C(=O)N(CC2)CCN2C34CC5CC(CC(C5)C3)C4)N(CC6)CCO6,0.0
48979,CO-ADD:0324676,2.03,C1(=Cc(c2OC1c3ccc(c(OCC)c3)OCC)cc(cc2OC)Br)[N+](=O)[O-],0.0
48980,CO-ADD:0324700,2.03,N(CC1N2CCc(cccc3)c13)(C2c4ccc(c(OCC)c4)OC)S(=O)(=O)c5ccc(cc5)C,0.0
48981,CO-ADD:0324460,2.02,N1(CCCCCC(NCCc(c2c([nH]3)ccc(Br)c2)c3C)=O)C(=O)c(c4C1=O)cccc4,0.0
48982,CO-ADD:0324796,2.02,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc4ccccc4Cl)[N+](=O)[O-])c13)cccc2,0.0
48983,CO-ADD:0323110,2.02,C(OCCNC(=S)Nc1ccccc1)(CC(CC2C3)CC34)(C4)C2,0.0
48984,CO-ADD:0323150,2.02,c(C(c1ccccc1)=O)(sc(c23)nc(c(Cl)c2C)C)c3N,0.0
48985,CO-ADD:0319660,2.02,N(c1c(cccc1)NC(CC(c2ccccc2)CC3=O)=C34)(C(=O)C5CC5)C4c(cc6)ccc6C(OC)=O,0.0
48986,CO-ADD:0320653,2.02,n1(CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc(cc4)ccc4C)nnnc1N,0.0
48987,CO-ADD:0324332,2.02,c1(c2ccccc2F)nnn(Cc(nc(N)nc3N(CC4)CCO4)n3)n1,0.0
48988,CO-ADD:0323845,2.02,S(=O)(=O)(NC(CC)C12CC3CC(CC(C3)C1)C2)c4c(OC)ccc(Cl)c4,0.0
48989,CO-ADD:0324283,2.02,c12c(CCNC1c3c(C)cc(c(C)c3)OC)cc(c(OCC)c2)OCC.Cl,0.0
48990,CO-ADD:0324166,2.02,N12C(S\C(=C/c(cn(n3)C(C)=O)c3c4ccc(cc4)F)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
48991,CO-ADD:0318919,2.02,N1(Cc2ccccc2)C(=O)c3c(cc(cc3N=[N+]=[N-])[N+](=O)[O-])S1=O,0.0
48992,CO-ADD:0320473,2.02,C(NCCOc1ccccc1OC)(=O)c2ccc(cc2)Br,0.0
48993,CO-ADD:0318824,2.02,c1(scc(c2ccccc2)c1C(OCC)=O)NC(=O)c3cccs3,0.0
48994,CO-ADD:0330011,2.02,C1(CC(OC12CCCCC2)=O)C(=O)NCC(C)C,0.0
48995,CO-ADD:0329988,2.02,c12c(cc(cc1[N+](=O)[O-])Sc3ccccc3)Oc(c4NC2=O)cccc4,0.0
48996,CO-ADD:0326746,2.02,[nH]1c(cccc2)c2c(CCNC(N)=O)c1C,0.0
48997,CO-ADD:0326851,2.02,N(C(=O)NC(=C1Cl)\C=C\c(ccc2c3cc(OC)c(cc3OC)Cl)o2)C1=O,0.0
48998,CO-ADD:0328967,2.02,C(=O)(NC1(CCC1)c2cccc(Cl)c2)NC3(CCC3)c4cccc(Cl)c4,0.0
48999,CO-ADD:0328914,2.02,n1(CC=C)c(SCC(=O)Nc(ccc(c23)OCCO2)c3)nnc1c(cccn4)c4,0.0
49000,CO-ADD:0328027,2.02,N1c2c(cccc2)SC(CC(=O)Nc(cc3)ccc3NC(C)=O)C1=O,0.0
49001,CO-ADD:0330021,2.02,C1(C(F)(F)F)(C(F)(F)F)N=C(Cc2ccccc2)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
49002,CO-ADD:0326083,2.02,N(CC1N2CCc(cccc3)c13)(C2c(cc4)cc(c4OS(=O)(=O)c5ccc(cc5)C)OC)S(=O)(=O)c6ccc(cc6)C,0.0
49003,CO-ADD:0326564,2.02,c(c1N)(sc2c1cc(c3n2)CCCC3)c4nc(N)nc(N(CC5)CCO5)n4,0.0
49004,CO-ADD:0327234,2.02,S(NCC)(=O)(=O)c(c(C)c1)c(C)cc1N2CCCC2=O,0.0
49005,CO-ADD:0328271,2.02,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3c(Cl)cc(c(Cl)c3)OC,0.0
49006,CO-ADD:0329191,2.02,n1c(c2ccccc2Cl)onc1c3ccc(Br)o3,0.0
49007,CO-ADD:0328351,2.02,c1(SCC(=O)Nc(cc2)ccc2C(OCC)=O)[nH]c(c3n1)cccc3,0.0
49008,CO-ADD:0328216,2.02,S(=O)(=O)(c1ccc(cc1)Cl)c2c(O)c(C)cc(NS(=O)(=O)c3ccc(cc3)OC)c2C,0.0
49009,CO-ADD:0332565,2.02,c1(ccc(cc1N(CC2)CCN2Cc3ccccc3)N(CC4)CCN4)[N+](=O)[O-],0.0
49010,CO-ADD:0331857,2.02,c1(NC(=O)c2cccc(cccc3)c23)nnnn1\N=C/c4ccccc4F,0.0
49011,CO-ADD:0332489,2.02,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(\SC1=S)=C/c3ccccc3OCc4ccccc4Cl,0.0
49012,CO-ADD:0331881,2.02,S(=O)(=O)(N(CC1)CCN1C(OCC)=O)c2c(Cl)cc(c(Cl)c2)OC,0.0
49013,CO-ADD:0331921,2.02,C1(=Cc2c(OC1=O)cccc2)C(=O)N(CC3)CCN3c4ccc(c(Cl)c4)Cl,0.0
49014,CO-ADD:0331702,2.02,C1(C(=O)NC(N2c3ccc(cc3)F)=O)=C2NC(=O)C1(NC(Cc4ccccc4)=O)C(F)(F)F,0.0
49015,CO-ADD:0331079,2.02,n(Cc(cc1)ccc1F)(c2c(n3)cccc2)c3CCC,0.0
49016,CO-ADD:0323452,2.02,N1(c2ccc(cc2)Cl)C(=O)\C(\SC1=N)=C\c(c(cccc3)c3n4Cc5ccccc5C#N)c4,0.0
49017,CO-ADD:0320225,2.02,c12c(ccc(cccc3)c13)nc(c4c2c5ccc(cc5)OCc6ccccc6F)CCC4,0.0
49018,CO-ADD:0319040,2.02,N1(CCC(=O)Nc(cc2)ccc2C(O)=O)C(=O)c3c(cccc3)C1=O,0.0
49019,CO-ADD:0320289,2.02,c1(C(=O)Nc2ccccc2)sc(c3c1N)cc(cc3Sc4ccccc4)[N+](=O)[O-],0.0
49020,CO-ADD:0321314,2.02,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc3c(cccc4C(O)=O)c4)o3)\C2=N,0.0
49021,CO-ADD:0321490,2.02,C(C(N)c1ccc(cc1)CC)C(O)=O,0.0
49022,CO-ADD:0321530,2.02,c1(cc(ccc1N2CCCCC2)C(OC)=O)[N+](=O)[O-],0.0
49023,CO-ADD:0324477,2.02,c1(SCC(NCCC(C2)(CC(CC23)CC4C3)C4)=O)oc(c5n1)cccc5,0.0
49024,CO-ADD:0324501,2.02,N(c1c(cccc1)NC(CC(c2ccc(c(OC)c2)OC)CC3=O)=C34)(C(=O)C5CC5)C4c6cccs6,0.0
49025,CO-ADD:0321189,2.02,C(=O)(c1cccc(OC)c1)NCC2(CCCC2)c3ccccc3,0.0
49026,CO-ADD:0324045,2.02,C(=O)(c1cccs1)N(CC2)CCN2c3c(F)cc(c(Cl)c3)C#N,0.0
49027,CO-ADD:0320866,2.01,c12c(ncnc1N3CCCC3)sc(CC4(c5ccccc5)C#N)c2CC4,0.0
49028,CO-ADD:0320987,2.01,C(=O)(Nc1ccc(cn1)Br)c2ccccc2SCc3ccccc3,0.0
49029,CO-ADD:0324621,2.01,C(C(C)=O)(C1c2ccc(cc2)CC)=C(O)C(N1c3ccc(cc3)OCC(O)=O)=O,0.0
49030,CO-ADD:0323471,2.01,C(C)(C12)(C(C)(CC1)OC3=O)N3CCOC2(C)C,0.0
49031,CO-ADD:0320434,2.01,c12c([nH]nc1c3ccccn3)OC(N)=C(C#N)C2c(ccc4[N+](=O)[O-])s4,0.0
49032,CO-ADD:0318728,2.01,C(=N\c(cc1)ccc1OC(F)(F)Cl)(/SC(C(=O)Nc2cccc(OC)c2)CC3=O)\N3CCc4ccccc4,0.0
49033,CO-ADD:0318886,2.01,n1(c2c(nn1)cccc2)C(=O)c3c(C)cc(c(F)c3)F,0.0
49034,CO-ADD:0326318,2.01,C(NCC(C1)(C2)CC(CC2CC13)C3)(C(F)(F)F)(C(F)(F)F)NC(c4ccccc4)=O,0.0
49035,CO-ADD:0327201,2.01,n12c(c(c(c3ccc(cc3)F)c1C(=S)Nc(cc4)ccc4C)CCCC5)n5c(COc6ccccc6)n2,0.0
49036,CO-ADD:0327449,2.01,N(c1ccccc1OC)(C(=O)C(C23)C(c4cccc(OC)c4O)NC2(CC(C)C)C(O)=O)C3=O,0.0
49037,CO-ADD:0327473,2.01,C(Nc(cc1)ccc1OC)(C(=O)c(cccc2)c2C3=O)=C3N4CCCCC4,0.0
49038,CO-ADD:0327138,2.01,n12c(SCC(c(ccc(c3Cl)Cl)c3)=N1)nnc2C(F)(F)F,0.0
49039,CO-ADD:0326424,2.01,C1(C)(CC(=O)c2ccc(cc2)F)C(=O)OC(C(C)(C)C1=O)c3ccc(cc3)Br,0.0
49040,CO-ADD:0327739,2.01,C(Cl)(F)(F)Oc(cc1)ccc1NC(=O)CCN2CCCCC2.Cl,0.0
49041,CO-ADD:0327355,2.01,N1(CCN)C(=O)\C(\SC1=O)=C/c(ccc(c2Oc3ccccc3)F)c2.Cl,0.0
49042,CO-ADD:0327539,2.01,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3Oc4c(Cl)cc(cn4)Cl)n2)Cc(cc5)ccc5C(C)(C)C,0.0
49043,CO-ADD:0327267,2.01,C(O)(C(OC)=O)(C(F)(F)F)c1cc(C)c(c2c1O)cccn2,0.0
49044,CO-ADD:0327664,2.01,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1CCc5ccccc5)CC,0.0
49045,CO-ADD:0329511,2.01,C1(C(=O)NC(N2Cc3ccccc3)=O)=C2NC(=O)C1(NC(C)=O)C(F)(F)F,0.0
49046,CO-ADD:0329527,2.01,C1(C(=O)N(C)C(N2C)=O)=C2NC(=O)C1(C(F)(F)F)NC(C3CCCCC3)=O,0.0
49047,CO-ADD:0329768,2.01,C1(C(F)(F)F)(NC(=O)c2ccccc2OC)C(=O)N(C(=O)N1)c3ccccc3,0.0
49048,CO-ADD:0332278,2.01,n1(n2)c(NC(c3ccc(cc3)Cl)CC1C(F)(F)F)cc2C(=O)N(CC4)CCN4C56CC(CC7C5)CC(C7)C6,0.0
49049,CO-ADD:0332294,2.01,N(NC(c1ccccc1)=O)(C(CC(=O)Nc(cc2)ccc2F)C(N3CC)=O)C3=S,0.0
49050,CO-ADD:0331798,2.01,C(=O)(c1c(cccc1F)F)NC(=O)Nc(cc2)ccc2SC(F)(F)C(F)(F)F,0.0
49051,CO-ADD:0331814,2.01,C12(CC3CC(CC(C3)C1)C2)C(=O)NCC(=O)OCC(=O)c4ccc(cc4)CC,0.0
49052,CO-ADD:0332271,2.01,c1(C(=O)Nc(ccc(c23)oc(c4ccc(c(C)c4)C)n2)c3)c(Cl)c5c(cccc5)s1,0.0
49053,CO-ADD:0332317,2.01,n1c(CCC2)n2c(C)c1c(cc(C(C)(C)C)c(c3C(C)(C)C)O)c3.Br,0.0
49054,CO-ADD:0332144,2.01,C(C(OC)=O)(=CN(CC(C1)(C2)CC(C3)CC1CC23)C=C4C(OC)=O)C4c5ccccc5OCC,0.0
49055,CO-ADD:0331712,2.01,C1(C(F)(F)F)(C(F)(F)F)N=C(CCc2ccccc2)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
49056,CO-ADD:0331264,2.01,n1(nnc(c2ccccc2)c1C(OCC)=O)c3nc(OCC)nc(N4CCCCC4)n3,0.0
49057,CO-ADD:0161436,2.01,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3ccc(cc3Cl)Cl,0.0
49058,CO-ADD:0161423,2.01,c(c(F)c1F)(c(F)c(c1Oc(cc2)ccc2NC(c3ccccc3)=O)F)c(c(F)c4F)c(F)c(c4Oc(cc5)ccc5NC(c6ccccc6)=O)F,0.0
49059,CO-ADD:0162964,2.01,c(Nc1ccccc1)(nc(N\N=C\c(cc2)ccc2\C=N\Nc(nc(Nc(cc3)ccc3OC)nc4Nc5ccccc5)n4)nc6Nc(cc7)ccc7OC)n6,0.0
49060,CO-ADD:0161744,2.01,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(cc2)ccc2I)nc3Nc4ccccc4)n3,0.0
49061,CO-ADD:0161784,2.01,[N+](=O)([O-])c1ccccc1C(=O)Nc(cc2)ccc2\C=C\c3ccccc3,0.0
49062,CO-ADD:0161877,2.01,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\C=C\c2ccccc2,0.0
49063,CO-ADD:0163817,2.01,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
49064,CO-ADD:0163813,2.01,C(=O)(NC(C)C)C\C(\C)=N\NC(COc(ccc(c1C)Br)c1)=O,0.0
49065,CO-ADD:0163217,2.01,C1(c(cc(cc2C3=N\C(\C(=O)O3)=C\c4cccc(cccc5)c45)C6=N\C(\C(=O)O6)=C/c7cccc(cccc8)c78)c2)=N\C(\C(=O)O1)=C\c9cccc(cccc%10)c9%10,0.0
49066,CO-ADD:0154407,2.01,NC1(CC1C2=CC=C(C)C=C2)C(O)=O.Cl,0.0
49067,CO-ADD:0154515,2.01,O=C(NNCC1=CC=C(C)C=C1)C2=CNC3=CC=CC=C32,0.0
49068,CO-ADD:0154336,2.01,NC(N=C(C(C)(C)OS1(=O)=O)C1=C2C3=CC=CC=C3C)=C2C=N,0.0
49069,CO-ADD:0162491,2.01,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(=O)Nc(cccc3C(C)=O)c3,0.0
49070,CO-ADD:0163161,2.01,S(=O)(=O)(c1ccc(cc1)OC(=O)Nc2ccc(cc2[N+](=O)[O-])C)c3ccc(cc3)OC(=O)Nc4ccc(cc4[N+](=O)[O-])C,0.0
49071,CO-ADD:0163209,2.01,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(COc2cccc(C)c2)=O,0.0
49072,CO-ADD:0163128,2.01,c1(\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)cc(Br)cc(C)c1O,0.0
49073,CO-ADD:0163184,2.01,n1c2c(oc1c3ccccc3)ccc(c2)\N=C\c(cc4)ccc4OCc5ccccc5,0.0
49074,CO-ADD:0162499,2.01,c1(Cl)n(c2ccccc2)nc(C)c1C(=O)Nc3ccccc3OC,0.0
49075,CO-ADD:0154341,2.01,BrC(C=C1)=CC=C1C2=C(C=O)N3C=CC=CC3=N2,0.0
49076,CO-ADD:0162531,2.01,c12n(c(nn1)SCCCC)ncn2N,0.0
49077,CO-ADD:0154432,2.0,O=C(NN=C1CCCCCC1)CC2=CNC3=C2C=CC=C3,0.0
49078,CO-ADD:0163120,2.0,C1(C)=CC(=O)Oc(cc(OC(=O)\C=C\c2ccccc2)cc3C)c13,0.0
49079,CO-ADD:0162933,2.0,N(C(CCCC(=O)N\N=C\c1ccc(cc1Cl)Cl)=O)c2ccccc2Br,0.0
49080,CO-ADD:0163413,2.0,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c2ccc(cc2OC)OC,0.0
49081,CO-ADD:0163173,2.0,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2ccccc2,0.0
49082,CO-ADD:0154421,2.0,O=C(N/N=C(C)/CC1=CC=CC=C1)C2=CNC3=C2C=CC=C3,0.0
49083,CO-ADD:0154424,2.0,[H]N(C(C(C)C)=O)/N=C/C1=CNC2=C1C=CC=C2,0.0
49084,CO-ADD:0161753,2.0,C(c1ccccc1)(=O)Oc2cc(ccc2OC(c3ccccc3)=O)\C=N\NC(CNC(=O)c(cc4OC)cc(c4OC)OC)=O,0.0
49085,CO-ADD:0163181,2.0,C(=O)(Oc1ccccc1\C=N\NC(COc2c(C)cccc2C)=O)c3ccco3,0.0
49086,CO-ADD:0163887,2.0,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1OCC)C(NCCOC)=O,0.0
49087,CO-ADD:0163824,2.0,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(ccc(c2OCC)OCc3cccc(Cl)c3)c2,0.0
49088,CO-ADD:0161741,2.0,C(NCCCCCC(=O)N\N=C\c(ccc(c1OC)O)c1)(=O)c2ccc(c(OC)c2)OC,0.0
49089,CO-ADD:0161809,2.0,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O)o2)c1,0.0
49090,CO-ADD:0161410,2.0,C(=O)(Nc1cccc(N(C)C)c1)c2ccccc2c3ccccc3,0.0
49091,CO-ADD:0163219,2.0,C1(c(cc(cc2C3=N\C(\C(=O)O3)=C\c4ccccc4C)C5=N\C(\C(=O)O5)=C/c6ccccc6C)c2)=N\C(\C(=O)O1)=C\c7ccccc7C,0.0
49092,CO-ADD:0163118,2.0,N1(c(c2)cc(cc2C3=Nc(c4C(=O)O3)cccc4)C5=Nc(c6C(=O)O5)cccc6)C(=O)c7c(cccc7)C1=O,0.0
49093,CO-ADD:0163799,2.0,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)C(=O)N3CCCC3,0.0
49094,CO-ADD:0162970,2.0,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(cc3)ccc3C(OC)=O,0.0
49095,CO-ADD:0161781,2.0,C(CNc(cc1)ccc1OC)(=O)N\N=C\C=C/c2ccccc2,0.0
49096,CO-ADD:0162978,2.0,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C(/C)\c2ccc(cc2)N,0.0
49097,CO-ADD:0163823,2.0,C(c1ccccc1)(=O)NCC(=O)NCC(=O)N\N=C\c2cc(OC)ccc2OC,0.0
49098,CO-ADD:0163023,2.0,c1(c(OC)cc(c(\C=N\NC(c(cc2)ccn2)=O)c1)OC)[N+](=O)[O-],0.0
49099,CO-ADD:0161198,2.0,C(=N/NC(COc(cc1)ccc1Cl)=O)(/c2c(N3)cccc2)\C3=O,0.0
49100,CO-ADD:0162148,2.0,c12c(ccc(O)c1S(=O)(=O)c3ccc(cc3)C)n(c(C)c2C(C)=O)C,0.0
49101,CO-ADD:0162860,2.0,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2ccc(C)o2,0.0
49102,CO-ADD:0162760,2.0,C(=O)(Nc(cc1)ccc1I)Nc(cc2)ccc2OCCCCCCCCCC,0.0
49103,CO-ADD:0162450,2.0,N1(c2ccc(cc2)Br)C(c3ccc(cc3)Cl)CC(c4ccc(cc4)Cl)=N1,0.0
49104,CO-ADD:0163218,2.0,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c2cccc(C)c2O,0.0
49105,CO-ADD:0163506,2.0,C(=O)(N\N=C\c(ccc(c1OCC(O)=O)OCC(O)=O)c1)c2ccc(cc2)O,0.0
49106,CO-ADD:0163170,2.0,c1(c(C)ccc(cccc2)c12)CSc3ccccn3,0.0
49107,CO-ADD:0162888,2.0,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c(cc2)ccc2OCc(cc3)ccc3Cl)[N+](=O)[O-],0.0
49108,CO-ADD:0162824,2.0,C(C(c1ccc(cc1)Br)Nc(cc2)ccc2F)C(=O)c3ccc(cc3)OC,0.0
49109,CO-ADD:0162127,2.0,c1(c2ccc(cc2Cl)Cl)nnc(SCc3ccccc3)o1,0.0
49110,CO-ADD:0162926,2.0,c1(ccccc1Cl)C(=O)NCc(cc2)ccc2C(C)(C)C,0.0
49111,CO-ADD:0163122,2.0,C1(=Cc(cc(Br)cc2Br)c2OC1c3c(cccc3Cl)Cl)[N+](=O)[O-],0.0
49112,CO-ADD:0162355,2.0,C(=O)(c1ccc(cc1)NC(CCCCCCC)=O)Nc2cccc(Br)c2,0.0
49113,CO-ADD:0162423,2.0,C(=O)(c1ccc(cc1)NC(CCCCC)=O)Nc2ccc(cc2C)C,0.0
49114,CO-ADD:0162143,2.0,C1(CCCC1)(CNCC(c2ccccc2)c3ccccc3)c4ccc(cc4)OCCCC.Cl,0.0
49115,CO-ADD:0162109,2.0,N1(c2ccc(cc2)Oc(ccc(c3C(O)=O)C(O)=O)c3)C(=O)c(c4C1=O)ccc(C(=O)c(cccc5[N+](=O)[O-])c5)c4,0.0
49116,CO-ADD:0161873,2.0,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c2ccccc2OCc3ccccc3,0.0
49117,CO-ADD:0161951,2.0,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)N\N=C\c2cccc(Cl)c2)c1,0.0
49118,CO-ADD:0161695,1.99,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)c3ccccc3Cl,0.0
49119,CO-ADD:0161983,1.99,C(=O)(c1ccc(cc1)NC(CCCCCCC)=O)Nc2ccc(cc2C)Cl,0.0
49120,CO-ADD:0162421,1.99,C(NCCCCCCCCC)(=O)c1ccc(cc1)NC(C)=O,0.0
49121,CO-ADD:0162877,1.99,N(C(CCC(=O)N\N=C\c(cc1)ccc1Br)=O)c2ccc(cc2C)I,0.0
49122,CO-ADD:0161868,1.99,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c(cccn2)c2,0.0
49123,CO-ADD:0162497,1.99,c1(C(=O)Nc2cc(C)cc(C)n2)c(Cl)c3c(cccc3)s1,0.0
49124,CO-ADD:0161794,1.99,C(CNc(cc1)ccc1C)(=O)N\N=C\c2cccc(Br)c2,0.0
49125,CO-ADD:0161957,1.99,C(CNc1ccccc1)(=O)N\N=C\c2ccccc2F,0.0
49126,CO-ADD:0161880,1.99,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C(/C)\c2ccccc2,0.0
49127,CO-ADD:0161887,1.99,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C(/C)\C,0.0
49128,CO-ADD:0161806,1.99,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C(/C)\c2ccc(cc2)N)nc3Nc(cc4)ccc4OC)n3,0.0
49129,CO-ADD:0161747,1.99,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(cc(I)cc2I)c2OC)nc3Nc4ccccc4)n3,0.0
49130,CO-ADD:0162911,1.99,c1(ccccc1Br)C(=O)NCC(=O)N\N=C/c2ccccc2,0.0
49131,CO-ADD:0161903,1.99,N1(CNc2ccccc2Br)C(=O)\C(\SC1=O)=C/c3cccc(Cl)c3,0.0
49132,CO-ADD:0161914,1.99,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2C)=O)N(CCCC)CC)c1,0.0
49133,CO-ADD:0161659,1.99,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c2cccc(Br)c2,0.0
49134,CO-ADD:0161675,1.99,C(COc(cc1)ccc1C)(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
49135,CO-ADD:0162384,1.99,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O,0.0
49136,CO-ADD:0162112,1.99,N(\C(=C/c1cccc(cccc2)c12)\C(O3)=O)=C3c4ccccc4,0.0
49137,CO-ADD:0162805,1.99,C(CSc(cc1)ccc1Cl)(=O)N\N=C(\C)/CCCCCCC,0.0
49138,CO-ADD:0162398,1.99,C(=O)(N\N=C\c1ccccc1Cl)C(C)Oc(cc2)ccc2OCc3ccccc3,0.0
49139,CO-ADD:0162960,1.99,c1(\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)c(C)cc(cc1O)O,0.0
49140,CO-ADD:0162992,1.99,c1(OCC(=O)N\N=C\c(ccc(c2O)O)c2O)c(OC)cc(cc1Br)Br,0.0
49141,CO-ADD:0161819,1.99,c(Nc(cc1)ccc1OC)(nc(N\N=C/c2ccc(cc2Cl)Cl)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
49142,CO-ADD:0161196,1.99,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(=O)c4ccc(cc4)Br,0.0
49143,CO-ADD:0161244,1.99,C(=O)(C1CCCN1CCOC(c2ccccc2)=O)Nc3c(C)cc(cc3C)C.Cl,0.0
49144,CO-ADD:0149440,1.99,N(C(=O)C1)c(n(Cc2occc2)n3)c(c3)C1c(c4)cc(OC)cc4,0.0
49145,CO-ADD:0137888,1.99,ClC1=CC=C(C=C1)C2=NOC(CC3=C(OC)C(OCO4)=C4C(OC)=C3)C2,0.0
49146,CO-ADD:0148941,1.99,c1(c(C)nc2n1ccs2)c3csc(Nc4cccc(Cl)c4C)n3,0.0
49147,CO-ADD:0284372,1.99,N12C(CCC1=O)C(NC2=S)=O,0.0
49148,CO-ADD:0283982,1.99,C(C(OCC=C)=O)(C1c2ccc(cc2)O)=C(C)NC(CC(c3ccccc3)CC4=O)=C14,0.0
49149,CO-ADD:0279052,1.99,n1c(c2ccc(cc2)Cl)csc1\C(\C#N)=N\Nc3ccccc3,0.0
49150,CO-ADD:0149448,1.99,C(#N)C(=C(N)Oc(cc1OC)c2cc1)C2c3cc([N+](=O)[O-])c(OCCO4)c4c3,0.0
49151,CO-ADD:0149274,1.99,COc(c(OC)cc(C(c(c1N2)cc(c(O3)c1)OC3)C(=C2C4)C(O4)=O)c5)c5,0.0
49152,CO-ADD:0148681,1.99,C1(NC(=O)CC2c(cc(OC)c(c34)OCO3)c4OC)=C2C(NC(N)=N1)=O,0.0
49154,CO-ADD:0283376,1.99,c1(C(OCC)=O)c2c(n(C)c1CSc3ccccc3)cc(Br)c(O)c2CN(C)C,0.0
49155,CO-ADD:0283746,1.99,N1(C(c2ccc(cc2)Br)CC(c3ccc(cc3)C)=N1)C(=N)SC(CC(N4c5ccc(cc5)OC)=O)C4=O,0.0
49156,CO-ADD:0284171,1.99,C(=O)(c1cccc(c1)OC(C)=O)Nc(c(C)ccc2C(O)=O)c2,0.0
49157,CO-ADD:0284179,1.99,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c(ccc(c3[N+](=O)[O-])Cl)c3)NC(c4ccccc4)=O,0.0
49158,CO-ADD:0278396,1.99,N(C(=O)C(CC)C(N1)=O)=C1SCC(=O)NCc2ccco2,0.0
49159,CO-ADD:0278436,1.99,C(C#N)(C(c1ccccc1[N+](=O)[O-])C2C(OC)=O)=C(SCC(OCc3ccccc3)=O)NC2=O,0.0
49160,CO-ADD:0277470,1.99,n1c(c2ccc(cc2)SC)[nH]c(c3ccccc3)c1c4ccc(cc4)Sc5ccccc5,0.0
49161,CO-ADD:0149414,1.99,c(C1C(C#N)=C(N)Oc(cc2OC)c1cc2)(c(OCC)c3)ccc3,0.0
49162,CO-ADD:0137867,1.98,O=C1NC2=C(C(C3=CC=C(OCC4=CC=CC=C4Cl)C=C3)C1)C(C)=NN2C(N5)=NC6=C5C=CC=C6,0.0
49163,CO-ADD:0283440,1.98,n1c2c(sc1c3ccc(cc3)NCc(ccc(c4OC)OC)c4)ccc(C)c2,0.0
49164,CO-ADD:0148989,1.98,c1(cc(cc([nH]cc2Cc3ccccn3)c12)[N+](=O)[O-])[N+](=O)[O-],0.0
49166,CO-ADD:0148758,1.98,c1c(Cl)cc(n(c(c2C3c(cc4)ccc4OC)NC(=O)C3)cn2)cc1,0.0
49167,CO-ADD:0137639,1.98,c1(C(=O)NN=Cc(cc2OC)cc(c2O)Br)nonc1N,0.0
49168,CO-ADD:0137702,1.98,c12c(cc(OC)c(O)c1O)C=C(C=C(O)C2=O)C(OC)=O,0.0
49169,CO-ADD:0278398,1.98,N1(CC(=O)OC(CC)C(=O)Nc2sc(c3c2C#N)CCCC3)C(=O)c4c(cccc4)C1=O,0.0
49170,CO-ADD:0277473,1.98,n1c(c2ccc(cc2)O)[nH]c(c3ccccc3)c1c(ccc(c45)oc(ccc6c([nH]c(n7)c8ccc(cc8)O)c7c9ccccc9)c4c6)c5,0.0
49171,CO-ADD:0137883,1.98,COC1=C(OCO2)C2=C(OC)C(/C=C/C(N3C(C)CC4=C3C=CC=C4)=O)=C1,0.0
49173,CO-ADD:0149324,1.98,c(c(O)c1OC)c(\C=C/c(cc2OC)cc(OC)c2OC)cc1,0.0
49174,CO-ADD:0148790,1.98,c1(c(C)nn2C)c2NC(=O)CC1c(cc(OC)c(c34)OCO3)c4OC,0.0
49175,CO-ADD:0278279,1.98,N1C(=O)\C(\NC1=S)=C\c2ccccc2OCC,0.0
49176,CO-ADD:0278192,1.98,C(=CC(\C=C\c(ccc1c(cc2)cc(c23)COC3=O)o1)=NC4=O)(C(F)(F)F)N4,0.0
49177,CO-ADD:0283121,1.98,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4ccc(c5c4)OCO5,0.0
49178,CO-ADD:0278738,1.98,N(c1ccc(c(C)c1)C)(C(c2ccc(cc2)OCCCC)C=C3Nc(ccc(c4C)C)c4)C3=O,0.0
49179,CO-ADD:0278171,1.98,c1(N2CCCCC2)nc(NNC(=O)c(cc3)ccc3C(C)(C)C)cc(N4CCCCC4)n1,0.0
49180,CO-ADD:0278179,1.98,C(=C\c(cc1)cc(c1OC(CC)=O)OC)(/C(C)=NN2c(cccc3C(F)(F)F)c3)\C2=O,0.0
49181,CO-ADD:0278307,1.98,S(=O)(=O)(N1CCCCC1)c2csc(C(=O)Nc3ccccc3C(O)=O)c2,0.0
49182,CO-ADD:0278238,1.98,C(=C/c(c(cccc1)c1n2Cc3ccccc3)c2)(/C(=O)NC(N4)=S)\C4=O,0.0
49183,CO-ADD:0278581,1.98,[n+]1(cc(CCSc(cc2)ccc2C(C)(C)C)ccc1C)CC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
49184,CO-ADD:0279085,1.98,c1(N(CC2)CCO2)nc(NNC(CCc3ccccc3)=O)cc(N(CC4)CCO4)n1,0.0
49185,CO-ADD:0277479,1.98,c1(ccc(CSc2nc(C)cc(n2)C(F)(F)F)o1)C(=O)NNC(=O)c3ccc(cc3)Br,0.0
49186,CO-ADD:0284808,1.98,[N+](=O)([O-])c1cccc(c1)NC(=O)C2COc(c3O2)cccc3,0.0
49187,CO-ADD:0284698,1.98,N(/NC(=O)c1ccc(cc1)C)=C(\C)/C(/C)=N/O,0.0
49188,CO-ADD:0277435,1.98,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c3cc(Br)ccc3OC)\N2C4CCCCC4,0.0
49189,CO-ADD:0278412,1.98,c(nc(c1ccco1)cc2C(F)(F)F)(c3Br)n2nc3C(=O)N(CC4)CCN4Cc5ccccc5,0.0
49191,CO-ADD:0284638,1.98,c1(C#N)c(SC)nsc1N\N=C(\C)/c2ccc(c(O)c2)O,0.0
49192,CO-ADD:0278487,1.98,c1(C2c(cc3OC)cc(c3OC)OC)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
49193,CO-ADD:0149332,1.98,c(cc(OC)c(OC)c1OC)(c1C2c(cc3)ccc3OC)NC(=O)C2,0.0
49196,CO-ADD:0278496,1.98,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccccc2[N+](=O)[O-],0.0
49197,CO-ADD:0283161,1.98,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)S\C(\NCC)=N\Cc(ccc(c34)OCO3)c4,0.0
49198,CO-ADD:0283445,1.98,c1(SCC(=O)Nc(cc2)ccc2OC)sc3c(ccc(c3)NC(C)=O)n1,0.0
49199,CO-ADD:0278382,1.98,N1(CC(=O)Nc(ncc2[N+](=O)[O-])s2)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
49200,CO-ADD:0284376,1.98,C(=O)(OC(C)(C)C)N1CCCC1C(=O)Nc2ccc(cc2C)C,0.0
49202,CO-ADD:0149030,1.98,c1(c(cc(c2c1)c(ncc2)C(O)c3c(N)cc(OC)c(OC)c3)OC)OC,0.0
49203,CO-ADD:0148708,1.98,c(cc1N(C)C)(OC(N)=C(C#N)C2c(c(OC)c3OC)cc4c3OCO4)c2cc1,0.0
49204,CO-ADD:0277789,1.98,C(=O)(C(CCCCC)(CCCCC)O)N(c1ccc(cc1)C)Nc(cc2)ccc2C,0.0
49205,CO-ADD:0278936,1.97,n12c(S\C(=C/c3cccc(OC)c3)\C1=O)nnc2c4ccccc4,0.0
49206,CO-ADD:0257369,1.97,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c(ccc(c5[N+](=O)[O-])Cl)c5)o4)\C1=O,0.0
49207,CO-ADD:0284444,1.97,N1(N=C(CC1(O)c(cccn2)c2)C)C(=O)c3ccccc3O,0.0
49208,CO-ADD:0258376,1.97,c1(Sc2ccc(\C=N\NC(=O)c3cccc(Br)c3)o2)sc4c(ccc(OCC)c4)n1,0.0
49209,CO-ADD:0258139,1.97,C1(C(=O)OCC2CCCCC2)=C(C)NC(=O)NC1c3ccc(cc3)Cl,0.0
49210,CO-ADD:0257676,1.97,C1(NN=C(c2ccccc2)S1)(c3c(N4Cc5cccc(cccc6)c56)cccc3)C4=O,0.0
49212,CO-ADD:0149301,1.97,C(c(c1N2)cc(c(O3)c1)OC3)(c(cc(OC)cc4)c4)C(=C2C5)C(O5)=O,0.0
49213,CO-ADD:0149055,1.97,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)cc(F)cc4)c2)cc1,0.0
49215,CO-ADD:0278327,1.97,n1(c(c2ccccc2)c(nn1)C(=O)NNC(=O)c3nn(cc3[N+](=O)[O-])C)c4nonc4N,0.0
49216,CO-ADD:0278623,1.97,N1(c2ccccc2)C(=O)CC(N(CC3)CCN3\C=C\c4ccccc4)C1=O,0.0
49217,CO-ADD:0278321,1.97,c1(nonc1N)\C(\N)=N\OCc2ccc(cc2C)C,0.0
49218,CO-ADD:0279199,1.97,N1(C(=O)c2cccc(Cl)c2)N=C(CC1(O)c(cccn3)c3)C,0.0
49219,CO-ADD:0279000,1.97,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c(ccc(c45)OCO4)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
49220,CO-ADD:0283149,1.97,c12c(c(ccc1N3CCCC3)C)C(=O)c4c(cccc4)C2=O,0.0
49221,CO-ADD:0278795,1.97,C(/S\C(\C1=O)=C/c(cc2OCC)cc(c2OC(C)=O)Cl)(=N\C(C)=O)\N1,0.0
49222,CO-ADD:0278294,1.97,N12C(S\C(=C\c(cc3)ccc3N(CC)CC)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
49223,CO-ADD:0278287,1.97,C(=C/c(cc(OC)c(c1)OCC)c1Br)(/C(=O)N2c3ccccc3)\C(=O)N(C2=S)c4ccccc4,0.0
49224,CO-ADD:0278590,1.97,C1(C(c(cc2)ccc2[N+](=O)[O-])CC(N3c4ccc(cc4)OC)=O)=C3CC(C)(C)CC1=O,0.0
49227,CO-ADD:0149002,1.97,c1(cc(cc([nH]cc2Cc(cc3)ccn3)c12)[N+](=O)[O-])[N+](=O)[O-],0.0
49228,CO-ADD:0149068,1.97,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)cccc4OC)c2)cc1,0.0
49230,CO-ADD:0148654,1.97,c1ncc(n(c(c2C3c(cc(OCO4)c45)c(OC)c5OC)NC(=O)C3)cn2)cc1,0.0
49232,CO-ADD:0148628,1.97,COc(c1c2OCO1)c(\C=C\C(c3cccc(OCC)c3)=O)cc2OC,0.0
49234,CO-ADD:0148746,1.97,c1(F)ccc(n(c(c2C3c(cc4OC)ccc4OC)NC(=O)C3)cn2)cc1,0.0
49235,CO-ADD:0149105,1.97,N([C@@H](c1ccc(Br)cc1)[C@H](N2)c3ccc(cc3)Br)=C2c4ccc(Br)cc4,0.0
49236,CO-ADD:0278877,1.97,c(OC(=O)C=C1C)(c(C)c2OCC=C)c1cc2C(C)=O,0.0
49237,CO-ADD:0278893,1.97,n12c(ccc(cccc3)c13)nnc2c4ccc(cc4)OC,0.0
49238,CO-ADD:0149300,1.97,C(c(c1N2)cc(c(O3)c1)OC3)(c(cc(OCO4)c4c5)c5)C(=C2C6)C(O6)=O,0.0
49239,CO-ADD:0148784,1.97,c(OCO1)(c1c2OC)c(OC)c(CC(O)CC(c(ccc(OC)c3)c3)O)c2,0.0
49240,CO-ADD:0278916,1.97,N1(c2ccccc2)C(=O)CC(N(CC3C)CC(O3)C)C1=O,0.0
49241,CO-ADD:0284424,1.97,N(CCc(c12)c3c(cccc3)[nH]1)(C2c4ccc(cc4)OCC)C(=O)c5ccccc5C,0.0
49242,CO-ADD:0284866,1.97,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCCCC2)C(=O)N4CCCC4,0.0
49244,CO-ADD:0148967,1.97,C1(C(c2ccc(c(O)c2)O)C3=C(O)c4c(cccc4)OC3=O)=C(O)c5c(cccc5)OC1=O,0.0
49245,CO-ADD:0148975,1.97,c1(c2ccco2)c(c3ccco3)oc(N)c1C#N,0.0
49246,CO-ADD:0148836,1.97,c(c(OC(=O)C=C1c(cc2OC)ccc2)c1cc3)c3O,0.0
49247,CO-ADD:0148843,1.97,C1(C(OC)=O)=C(C)NC(=S)NC1c2ccccc2,0.0
49248,CO-ADD:0283729,1.97,c1(OCC)cc(ccc1OCC)C=O,0.0
49249,CO-ADD:0283454,1.97,N1(C(=O)Cc2ccccc2)N=C(CC1(O)c(cccn3)c3)C,0.0
49250,CO-ADD:0278472,1.97,c(c1c2ccccc2)(C3c4cccs4)c([nH]n1)OC(N)=C3C#N,0.0
49251,CO-ADD:0279203,1.97,N1(C(CCc2ccccc2)=O)N=C(CC1(O)c(cccn3)c3)C,0.0
49252,CO-ADD:0137663,1.97,c1(C(=O)NN=Cc(cc(c2Br)Br)s2)nonc1N,0.0
49253,CO-ADD:0148944,1.97,c1(nc(c2n1CC(=O)Nc(ccc(c3Cl)F)c3)cccc2)c4nonc4N,0.0
49254,CO-ADD:0148875,1.97,C1(C#N)=C(N)Oc2c(ccc(c2)O)C1c3ccccc3OC,0.0
49255,CO-ADD:0148723,1.97,C(c1ccc(c(OC)c1)OC)(=CO2)C(=O)c(c23)ccc(c3C4)OCN4C(C)C,0.0
49256,CO-ADD:0284243,1.96,N(c1ccc(cc1)OC)(Cc(c2c3)ccc3C(=O)N\N=C\c4ccco4)C2,0.0
49257,CO-ADD:0279059,1.96,C(=N)(N1CCCCCC1)\C(\C#N)=N\Nc2cccc(F)c2,0.0
49258,CO-ADD:0137681,1.96,n1(nncc1c2cccs2)c3nonc3N,0.0
49259,CO-ADD:0148872,1.96,C1(C#N)=C(N)Oc2c(ccc(c2)O)C1c3ccc(c(OC)c3)OC,0.0
49260,CO-ADD:0149096,1.96,c1(c2c([nH]c1)cccc2)C(=O)C(=O)Nc(ccc(OCO3)c34)c4,0.0
49261,CO-ADD:0283452,1.96,N(/OC(=O)c1cccc(F)c1)=C(\c(cc2)ccn2)/c3ccccc3,0.0
49262,CO-ADD:0149311,1.96,COc(ccc(C(c(c(N1)[nH]2)cn2)C(=C1C3)C(O3)=O)c4)c4,0.0
49263,CO-ADD:0148664,1.96,c12c(C(CC(=O)N1)c3cccc(OC)c3)snc2c4cccc(F)c4,0.0
49264,CO-ADD:0283374,1.96,[N+](=O)([O-])c(cc1)ccc1C(=O)N(CC2)CCN2c3ccccc3,0.0
49265,CO-ADD:0278957,1.96,s1c(N)nnc1CC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccco3)OC,0.0
49266,CO-ADD:0279159,1.96,c(cc(OC)c(c1)C=O)(OC(=O)C=C2C)c12,0.0
49267,CO-ADD:0283637,1.96,C1(c2c(cccc2)Oc(cccc3)c13)N4CCSC4=S,0.0
49268,CO-ADD:0284245,1.96,c1(c2N)c(nc(C)c(CC(=O)c3ccc(cc3)Br)c1C)sc2C#N,0.0
49269,CO-ADD:0137833,1.96,O=S(C1=CSC(C(C2)C3=CC=CS3)=C1NC2=O)(C(C=C4)=CC=C4Cl)=O,0.0
49270,CO-ADD:0284397,1.96,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(Br)s2,0.0
49271,CO-ADD:0283790,1.96,n12c(ccc(cccc3)c13)nnc2c(cc4)ccc4C(F)(F)F,0.0
49272,CO-ADD:0283854,1.96,C12=C(CC(c3ccc(cc3)OC)CC1=O)NC(=C(C#N)C2c4cc5c(cc4Cl)OCO5)C,0.0
49273,CO-ADD:0283725,1.96,c12c(CCCC1=O)c3c(cccc3)[nH]2,0.0
49275,CO-ADD:0283414,1.96,c1(Oc2cccc(c2)C=O)nnnn1c3ccccc3,0.0
49276,CO-ADD:0148933,1.96,[nH](c(ccc(c1)OC)c1c2CCNC(=O)c3ccc(c(OC)c3)OC)c2C,0.0
49279,CO-ADD:0257950,1.96,N1(C2c3cccs3)C(S\C(=C\c(cc4)ccc4F)\C1=O)=NC(C)=C2C(OCC)=O,0.0
49280,CO-ADD:0284338,1.96,C(=O)(NC(=O)Nc(cc1)ccc1Cl)c2c(C)cc(nc2Cl)Cl,0.0
49281,CO-ADD:0149251,1.96,c1(ncncc1c2ccc(cc2)OC)c3ccc(cc3O)OCC,0.0
49282,CO-ADD:0278653,1.96,c1(SCC(=O)Nc2c(OC)ccc(OC)c2)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
49283,CO-ADD:0278165,1.96,c1(N2CCCCC2)nc(NNC(c3ccccc3)=O)cc(N4CCCCC4)n1,0.0
49284,CO-ADD:0278782,1.96,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cccc(c4)OCc5c(cccc5F)Cl,0.0
49285,CO-ADD:0137721,1.96,Cn1c([N+](=O)[O-])cnc1C(=O)NCc2ccc(F)cc2,0.0
49286,CO-ADD:0286185,1.96,c1(N(CC2)CCN2C(C)=O)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
49287,CO-ADD:0292194,1.96,S(=O)(=O)(c1ccc(cc1)N=NN(C)C)[N-]C(CCC)=O.[K+],0.0
49288,CO-ADD:0286262,1.96,N12[C@@]([H])(CSC1c3ccc(cc3)Br)C(N(c4ccc(cc4)Cl)C2=S)=O,0.0
49289,CO-ADD:0289230,1.96,C(NCCOC)(=O)c1ccc(cc1)CC(CCN2)CC2.Cl,0.0
49290,CO-ADD:0285773,1.96,N1(CN(C)CN2c(cccc3)c3C(=O)C2=O)c(cccc4)c4C(=O)C1=O,0.0
49291,CO-ADD:0285365,1.96,C(C#N)(C(CC(N1)=O)c(cccc2[N+](=O)[O-])c2)=C1SCC(OCC)=O,0.0
49292,CO-ADD:0284645,1.96,N1(c2cc(C)cc(C)c2)C(=O)c3c(NC1c4ccccc4Cl)cccc3,0.0
49293,CO-ADD:0257588,1.96,C(=C\c(cc1)cc(c1Oc(cc2)ncc2[N+](=O)[O-])OC)(/C(=O)NC(N3)=S)\C3=O,0.0
49294,CO-ADD:0258846,1.96,n1(C)cnnc1SCC(=O)c2ccc(c(O)c2)O,0.0
49295,CO-ADD:0286740,1.96,N1(CC(c2ccccc2)=O)c3c(N(CC4CS4)C1=O)cccc3,0.0
49296,CO-ADD:0285732,1.96,c1(cc(cc(SCC(OC)=O)c1C#N)[N+](=O)[O-])[N+](=O)[O-],0.0
49297,CO-ADD:0259224,1.96,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)Cl,0.0
49298,CO-ADD:0258096,1.96,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc5c6ccc(cc6Br)C)o5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
49299,CO-ADD:0278227,1.96,n1(Cc2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc(cc5)ccc5C(C)C)c3,0.0
49300,CO-ADD:0278554,1.96,N(CCN1C(=O)c2ccc(cc2)C)(C1c(cc3)ccc3N(CC)CC)S(=O)(=O)c4ccc(cc4)C,0.0
49301,CO-ADD:0257418,1.96,c1(ccc(cc1OC)OC)C(=S)N(CC2)CCO2,0.0
49302,CO-ADD:0291413,1.96,N1(C(C(C)CC)=O)c2c(cccc2)C(CC1(C)C)(C)c3ccccc3,0.0
49303,CO-ADD:0288076,1.96,S(Cc(cc(C)c(c1)C)c1CS2)C2c(cc3)ccc3N(C)C,0.0
49304,CO-ADD:0286178,1.96,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)NC(=O)Cc4cccc(cccc5)c45)n1,0.0
49305,CO-ADD:0287421,1.96,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
49306,CO-ADD:0288500,1.96,n1(CC(CCN2)CC2)c(C)cnc1C(CC3)CCO3.Cl.Cl,0.0
49307,CO-ADD:0288829,1.96,C1(OCCC1)C(NCC#C)=O,0.0
49308,CO-ADD:0286893,1.96,C12(CC(C)(C)NC(SC)=N1)CC(c3ccccc3)Oc4c2ccc(c4)O,0.0
49309,CO-ADD:0287030,1.96,c1(s2)c(c(cc(C)n1)COC)c(c2C#N)N,0.0
49310,CO-ADD:0285101,1.96,C1(c2ccc(cc2)CC)(c3ccc(cc3)CC)CC1C(=O)Nc(cc4)ccc4OCC,0.0
49311,CO-ADD:0285727,1.96,S(=O)(=O)(Cc1ccccc1)c2cc(cc([N+](=O)[O-])c2C#N)[N+](=O)[O-],0.0
49312,CO-ADD:0286935,1.96,N1(CCC)C(=O)\C(\SC1=S)=C\C=C(\Sc(c23)cccc2)/N3CCO,0.0
49313,CO-ADD:0278638,1.96,c12c(c(ccc1N(CC3)CCO3)C)C(=O)c4c(cccc4)C2=O,0.0
49314,CO-ADD:0259177,1.96,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN(CC)CC,0.0
49315,CO-ADD:0258907,1.96,N1(CN2CCCC2)N=C(N(C)C1=S)COc(ccc(c3C)C)c3,0.0
49316,CO-ADD:0258676,1.96,C1(=S)NC2(NN1c3ccc(cc3)C)CCCC2,0.0
49317,CO-ADD:0258781,1.96,c12c(ccc(cccc3)c13)C(CC(=O)N2)c4ccc(c(OC)c4)OCCC,0.0
49318,CO-ADD:0277983,1.95,c(cc(Br)cc1I)(\C=N\c(ccc(c2C)C)c2)c1O,0.0
49319,CO-ADD:0277936,1.95,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccc(cc2)C)Nc3nnc(CC)s3,0.0
49320,CO-ADD:0257944,1.95,N1(c2ccc(cc2)C)C(=O)\C(=C\c(cc3OCC)cc(c3OCc4ccccc4Cl)Br)\C(NC1=S)=O,0.0
49321,CO-ADD:0288544,1.95,c1(CC(CC2)CCN2)ncc(C)n1CCC.Cl.Cl,0.0
49322,CO-ADD:0289073,1.95,c1(C(=O)Nc2cccc(OC)c2)sc(nn1)CCC(O)=O,0.0
49323,CO-ADD:0291039,1.95,S(=O)(=O)(Oc1cccc(cccn2)c12)c3c(OC)ccc(Br)c3,0.0
49324,CO-ADD:0290752,1.95,S(=O)(=O)(NCc(cccn1)c1)c2cc(C)c(cc2Cl)Cl,0.0
49325,CO-ADD:0288838,1.95,c(c(OC(F)(F)F)cc1)cc1CC(=O)NCC#C,0.0
49326,CO-ADD:0289369,1.95,n1c(c2ccc(cc2)OC(CN3)C3)onc1c4ccccc4.Cl,0.0
49327,CO-ADD:0288443,1.95,c1(CC(CC2)CCN2)ncc(C)n1CCCOC,0.0
49328,CO-ADD:0286654,1.95,s1c(CCSc(cc2)ccc2Br)nnc1N,0.0
49329,CO-ADD:0286342,1.95,n1(nnc(C(NN)=O)c1CN2CCCC2)c3nonc3N,0.0
49330,CO-ADD:0283399,1.95,C(C(OC)=O)(=C1C)\C(=C\c2cccs2)\C(N1CC(C)C)=O,0.0
49331,CO-ADD:0284648,1.95,S1(=O)(=O)c(cccc2)c2C(Nc(ccc(c3CN4CCCCC4)OC(=O)c5cccc(C)c5)c3)=N1.Cl,0.0
49332,CO-ADD:0257869,1.95,c1(C(=O)Nc(cc2)ccc2C(C)=O)c(Cl)c3c(cccc3)s1,0.0
49333,CO-ADD:0258438,1.95,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)NCCc3ccccc3,0.0
49334,CO-ADD:0258447,1.95,c1([nH]nc(c2ccccc2O)c1)C(F)(F)F,0.0
49335,CO-ADD:0277960,1.95,n1(nnc(CN(CC2)CCO2)c1C(=O)NNC(=O)c3cccs3)c4nonc4N,0.0
49336,CO-ADD:0277929,1.95,C(=S)(Nc1ccccc1)Nc(cc2)ccc2NC(=S)Nc3ccccc3,0.0
49337,CO-ADD:0278034,1.95,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OCC)cc(c5O)Cl,0.0
49338,CO-ADD:0277954,1.95,C1(C2c3ccccc3)=C(c4c(cccc4)OC1=O)OC(N)=C2c5scc(c6ccccc6)n5,0.0
49339,CO-ADD:0277516,1.95,C(=O)(NC(C)C)C(=O)NCc1ccccc1Cl,0.0
49340,CO-ADD:0285984,1.95,O[C@@H]1[C@H](CC=NNC(C2=CC=NC=C2)=O)[C@@H](/C=C/[C@@H](O)CCC3=CC=CC=C3)[C@H](O)C1,0.0
49341,CO-ADD:0289093,1.95,c1(C(OCC)=O)c(C)c(n(C)c1C)CCC(O)=O,0.0
49342,CO-ADD:0289086,1.95,c1(C(=O)Nc(ccc(c23)OCO2)c3)sc(nn1)CCC(O)=O,0.0
49343,CO-ADD:0288495,1.95,n1(Cc(cc2)ccc2F)c(C)cnc1CC(CCCN3)C3.Cl.Cl,0.0
49344,CO-ADD:0291986,1.95,S(=O)(=O)(c1ccc(cc1)Cl)Nc(cc2)ccn2,0.0
49345,CO-ADD:0292011,1.95,N1(N=C(CC1(O)C(F)(F)F)CCC)C(=O)c(cccn2)c2,0.0
49346,CO-ADD:0286160,1.95,N1(c(ccc(c2s3)nc3SCC(=O)NC(C)(C)C)c2)C(=O)c4c(cccc4)C1=O,0.0
49347,CO-ADD:0289101,1.95,N(CC1)CCC1OCCOCC,0.0
49348,CO-ADD:0257994,1.95,n1(C)cnnc1SCC(=O)Nc2ccc(cn2)Cl,0.0
49349,CO-ADD:0277414,1.95,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2CC(c4ccccc4)CC(O)=O)=O,0.0
49350,CO-ADD:0278885,1.95,S(NCCCn(ccn1)c1)(=O)(=O)c2ccc(c3c2)cccc3,0.0
49351,CO-ADD:0284438,1.95,c1(ccc(cc1Cl)[N+](=O)[O-])C(=O)N2CCC(CC2)C,0.0
49352,CO-ADD:0260177,1.95,n1(Cc2ccccc2)c(S)nnc1c3ccccc3O,0.0
49353,CO-ADD:0277992,1.94,C(C#N)(C1c2ccccc2Cl)=C(SC)NC(C)=C1C(C)=O,0.0
49354,CO-ADD:0278096,1.94,c12n(C(CS1)c3ccccc3)cnc4c2ncn4,0.0
49355,CO-ADD:0278032,1.94,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(cc4)C)c3C#N)C#N,0.0
49356,CO-ADD:0259848,1.94,N1(c2ccc(c(Cl)c2)Cl)C(=O)CC(N(CC3)CCN3c4cccc(Cl)c4)C1=O,0.0
49357,CO-ADD:0259872,1.94,C(/c(cccc1)c1CC23CCCCC2)(=N\c(cc4)ccc4I)\N3,0.0
49358,CO-ADD:0259904,1.94,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCCO)=O)N2CCCCCC2)c1,0.0
49359,CO-ADD:0288793,1.94,c(ccc1OC)cc1c2nnc(C)cn2,0.0
49360,CO-ADD:0288578,1.94,C(OC(C)(C)C)(N(CC1c(n2CCC)ncc2C)C1)=O,0.0
49361,CO-ADD:0288618,1.94,C(OC(C)(C)C)(N(CC1n2c(C)cnc2C(CCO3)CC3)C1)=O,0.0
49362,CO-ADD:0291071,1.94,S(=O)(=O)(N(CC(C)C)CC(C)C)c1cc(ccc1N(CC2)CCC2C(N)=O)[N+](=O)[O-],0.0
49363,CO-ADD:0290344,1.94,c12c(ccc3c1OC(=O)C=C3C)O\C(=C/c(cc4)ccc4O)\C2=O,0.0
49364,CO-ADD:0278909,1.94,c1(c2c(s3)CCCC2)c3NC(c4ccc(c(OC)c4)O)NC1=O,0.0
49365,CO-ADD:0278737,1.94,c1(C(NCCc2ccccc2)=O)c3c(sc1N)CCCC3,0.0
49366,CO-ADD:0283627,1.94,c1(SCC(=O)Nc(cc2)ccc2[N+](=O)[O-])sc3c(ccc(c3)NC(=O)c4ccccc4F)n1,0.0
49367,CO-ADD:0284213,1.94,C1(C2Cl)C(CC2Sc3ccccc3[N+](=O)[O-])C(c4ccc(cc4)Cl)Nc(ccc(C(OCC)=O)c5)c15,0.0
49368,CO-ADD:0277491,1.94,c1(SCC(=O)NC2CC2)sc3c(ccc(c3)NC(CSCC(=O)Nc(ccc(c45)cccc4)c5)=O)n1,0.0
49369,CO-ADD:0277523,1.94,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC)c2)[nH]c(c4n1)cccc4,0.0
49370,CO-ADD:0258902,1.94,c1(c2ccccc2Cl)nnc(SCC(=O)c3ccc(cc3C)C)n1c4ccccc4,0.0
49371,CO-ADD:0258942,1.94,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCC(=O)Nc2ccc(cc2C)Cl)=O)O)c1,0.0
49372,CO-ADD:0259036,1.94,C1(C)(C)N(N1)CCCN2NC2(C)C,0.0
49373,CO-ADD:0257738,1.94,c1(C(F)(F)F)nc(sc1c2ccccc2)Nc3cccc(C)c3C,0.0
49374,CO-ADD:0259049,1.94,N1(CC(OCC)=O)\C(=N\c(cc2)ccc2F)\SC=C1c3ccc(cc3)Cl.Br,0.0
49375,CO-ADD:0258424,1.94,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)S1)=C\c3ccccc3I,0.0
49376,CO-ADD:0288922,1.94,n12c(cc(C)n1)c3c(Oc(cc4[N+](=O)[O-])c2nc4)ccc(Cl)c3,0.0
49377,CO-ADD:0288731,1.94,c1nc([N+](=O)[O-])cn1Cc2sc(nn2)C(Nc3ccc(C)cc3)=O,0.0
49378,CO-ADD:0285970,1.94,Cl[C@@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@H]([C@@H]1/C=N\NC(C2=CC=NC=C2)=O)CC(OC)=O,0.0
49379,CO-ADD:0292004,1.94,[N+](=O)([O-])c1c(C)ccc(c1)c2ccc(o2)\C=C(/C#N)\C(NC)=O,0.0
49380,CO-ADD:0288873,1.94,c(n1Cc(ccc(c2)C(F)(F)F)c2)(ncc1C)c3ccc([N+](=O)[O-])cc3Cl,0.0
49381,CO-ADD:0288605,1.94,C(=O)(OC(C)(C)C)N(CCC1n2c(C)cnc2c3cnccc3)CC1,0.0
49382,CO-ADD:0277586,1.94,n1(nnc(C(=O)OC(C)C)c1CN2CCCC2)c3nonc3N,0.0
49383,CO-ADD:0283594,1.94,c1(C#N)c(CC2)c(sc1N)CN2C,0.0
49384,CO-ADD:0284237,1.94,n1(nnc(C(=O)N\N=C\c2ccccc2OCC)c1CN3CCCCCC3)c4nonc4N,0.0
49385,CO-ADD:0283264,1.94,n1c(c2ccc(cc2)OC)csc1Nc3ccccc3,0.0
49386,CO-ADD:0277851,1.94,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(ccc5c6cccc(Cl)c6Cl)o5)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
49387,CO-ADD:0277358,1.94,n(c1ccc(cc1)F)(c2C)c(C)cc2\C=C(/C#N)\C(=O)Nc(ccc(c3C)C)c3,0.0
49388,CO-ADD:0259343,1.94,c1(nnc(CSCc2ccccc2)s1)NC(=O)c3ccc(cc3)Cl,0.0
49389,CO-ADD:0258872,1.94,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c3ccc(c(OC)c3)OC,0.0
49390,CO-ADD:0259537,1.94,N1=C(C=C(\C=C/c(ccc(c2OC)OCc3ccc(cc3Cl)Cl)c2)NC1=O)C(F)(F)F,0.0
49391,CO-ADD:0259025,1.94,c(ccc1N(C(c2ccc(c(OC)c2)OC)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5)C3=S)cc1,0.0
49392,CO-ADD:0258401,1.94,P(OCC)(OCC)(=O)c1ccccc1OC(=O)c(cccc2[N+](=O)[O-])c2,0.0
49393,CO-ADD:0259894,1.94,c1(nonc1N)N(Cc(cc2)ccc2C(C)(C)C)N=Nc3nonc3N,0.0
49394,CO-ADD:0259887,1.94,N(C(CCC(OC(C)C)=O)=O)c1ccc(cc1F)F,0.0
49395,CO-ADD:0259911,1.94,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccc(cc5)Br)C(OCC)=O,0.0
49396,CO-ADD:0277782,1.94,C1(C(OCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)Cl)=O,0.0
49398,CO-ADD:0292088,1.93,S(=O)(=O)(c1ccc(cc1)N=NN(C)C)N(C(C)=O)C(C)=O,0.0
49400,CO-ADD:0289254,1.93,N1CCC(CC1)CCOc2ccccc2.Cl,0.0
49401,CO-ADD:0299874,1.93,S1(=O)(=O)c(cccc2)c2C(NCC(C)(C)CN)=N1,0.0
49402,CO-ADD:0289345,1.93,c1(C(=O)Nc(cc2)ccc2F)sc(nn1)CN.Cl,0.0
49403,CO-ADD:0289227,1.93,C(N1C(=O)OC(C)(C)C)C(C#N)C1,0.0
49404,CO-ADD:0289153,1.93,C(=O)(OC(C)(C)C)N1CCC(C1)Oc2ccccc2C(O)=O,0.0
49405,CO-ADD:0288790,1.93,c(cc1F)cc(c2nnc(C)cn2)c1,0.0
49406,CO-ADD:0288614,1.93,C(OC(C)(C)C)(N(CC1)CC1Cn2c(C)cnc2c(ccn3)cc3)=O,0.0
49407,CO-ADD:0283863,1.93,C(C(OC)=O)(C1c2ccc(cc2)O)=C(C)NC(CC(c3ccc(cc3)OC)CC4=O)=C14,0.0
49408,CO-ADD:0259717,1.93,S(=O)(=O)(Nc1ccccc1C(=O)N(CC2)CCO2)c3cccc(nsn4)c34,0.0
49409,CO-ADD:0257797,1.93,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4OC)OCc5ccccc5C#N)c4)\C1=O,0.0
49410,CO-ADD:0258005,1.93,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(ccc(c3Br)O)c3)\N2,0.0
49411,CO-ADD:0284859,1.93,N1(C(CC)=O)C(O)(c2ccc(cc2)F)CC(C(F)(F)F)=N1,0.0
49412,CO-ADD:0259444,1.93,c12c(nnc(SCC(=O)NCc3ccco3)n1)c4c(cccc4)n2CCc5ccccc5,0.0
49413,CO-ADD:0278061,1.93,N1(CC(O)=O)C2C(NC1=O)NC(=O)N2,0.0
49414,CO-ADD:0277510,1.93,N1(C)C(=O)\C(\SC1=S)=C/c(ccc(c2OC)OCc3ccccc3F)c2,0.0
49415,CO-ADD:0259419,1.93,N1(COC(CSc(nnc(c23)c4c(cccc4)n2Cc5ccccc5)n3)=O)C(=O)c6c(cccc6)C1=O,0.0
49416,CO-ADD:0277600,1.93,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(c(C)c3)C)\N2CCc4ccccc4.Br,0.0
49417,CO-ADD:0260100,1.93,C1(C(OCCOc2ccccc2)=O)=C(C)NC(NC1c3cccc(OCC)c3)=O,0.0
49418,CO-ADD:0284204,1.93,S(c1ccccc1)(=O)(=O)N2CCC(CC2)C(=O)N\N=C\c(ccc(c3OC)O)c3,0.0
49419,CO-ADD:0284470,1.93,c1(C(OCC)=O)c(c2ccccc2)csc1NC(CCC(O)=O)=O,0.0
49420,CO-ADD:0258874,1.93,c1(C(=O)c2cc(OC)ccc2OC)oc(c3c1NC(=O)CN4CCCC4)cccc3,0.0
49421,CO-ADD:0258834,1.93,N12C(=Nc(cccc3)c3C1=O)\C(\c(cccc4)c24)=N/NC(=O)c5ccc(cc5)OC,0.0
49422,CO-ADD:0257937,1.93,C(=N/c1ccccc1)(/SC=C2c3ccc(cc3)Br)\N2CCc(cc4)ccc4OC.Br,0.0
49423,CO-ADD:0258691,1.93,n12c(S\C(=C/c(cc3)ccc3N(CC)CC)\C1=O)nnc2c4ccc(cc4)C,0.0
49424,CO-ADD:0292057,1.93,c1(C(OCC)=O)c(C)c(c(C=O)[nH]1)CC,0.0
49425,CO-ADD:0290896,1.93,n1(cnn2)c2c(Nc3ccccc3)nc(non4)c14,0.0
49426,CO-ADD:0291016,1.93,S(=O)(=O)(N(CC1)CCO1)c2c(C)ccc(Cl)c2,0.0
49427,CO-ADD:0290357,1.93,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c(cccn5)c5)C6=C2CC(C)(C)CC6=O)C#N,0.0
49428,CO-ADD:0290294,1.93,N12C(S\C(=C\c(ccc(c3OCC)O)c3)\C1=O)=NC(C)=C(C(OCC)=O)C2c4ccc(c(cccc5)c45)OC,0.0
49429,CO-ADD:0285974,1.93,O=C(C1=CC=NC=C1)N/N=C2[C@@H]3C[C@@H](Cl)[C@H](C/2)[C@H]3C(O)=O,0.0
49430,CO-ADD:0287588,1.93,C(CC(c1ccccc1)=NN=C2c3ccccc3)(=C2)c4c5c([nH]c4)cccc5,0.0
49431,CO-ADD:0299338,1.93,C(=C/c(cc1OC)cc(c1OC2=O)S2)(/C(C)=NN3c4cccc(Cl)c4)\C3=O,0.0
49432,CO-ADD:0289350,1.93,c1(C(=O)Nc2ccccc2F)nnc(C(CC3)CCN3)s1,0.0
49433,CO-ADD:0300050,1.93,C(C#N)(C(c(cc1)ccc1[N+](=O)[O-])CC(N2)=O)=C2SCC(=O)Nc(cc3)ccc3OCC,0.0
49434,CO-ADD:0288845,1.93,C1(CCCN1C(=O)OC(C)(C)C)CCC(=O)NCC#C,0.0
49435,CO-ADD:0289168,1.93,C(C(O)=O)(c1ccccc1Cl)c2cccc(OCOC)c2,0.0
49436,CO-ADD:0300059,1.93,S(=O)(=O)(c1ccc(cc1)CCNS(=O)(=O)c2ccc(c3c2)cccc3)N4CCCCC4,0.0
49437,CO-ADD:0279064,1.93,C(C(=O)OC(C)(C)C)(=C(C)OC(=C1C#N)N)C1c(cccn2)c2,0.0
49438,CO-ADD:0257462,1.93,N(Cc1ccccc1)(C2=O)C(=O)N(C(c3ccc(cc3)Cl)=C2C#N)Cc4ccccc4,0.0
49439,CO-ADD:0283785,1.93,c1(N2C(C)=O)c(non1)N(c3c2non3)C(C)=O,0.0
49440,CO-ADD:0283305,1.93,c1(cc(Cl)nnc1Cl)N(CC2)CCN2c3cccc(Cl)c3,0.0
49441,CO-ADD:0283254,1.93,C(=C/c(ccc(c1OCc(cc2)ccc2Cl)OC)c1)(/C(=O)NC(N3CC=C)=O)\C3=O,0.0
49442,CO-ADD:0283624,1.93,N1(c(ccc(c2s3)nc3SCC(NCCOc(cc4)ccc4Cl)=O)c2)C(=O)c(c5C1=O)cccc5,0.0
49443,CO-ADD:0259561,1.93,n1(c2c(nc1SCC(OCC)=O)cccc2)C(OCC)=O,0.0
49444,CO-ADD:0258939,1.93,N(=C(/C)\c1ccc(cc1)F)/NC(CCC(=O)Nc2ccc(cc2C)Cl)=O,0.0
49445,CO-ADD:0259163,1.93,N1(Cc(cc2)ccc2Cl)\C(=N\c3ccccc3)\SC=C1c4ccc(cc4)C.Br,0.0
49446,CO-ADD:0287485,1.93,N(\C(=C\c(cc1)ccc1OC(=O)c2ccc(cc2)OC)\C(O3)=O)=C3c4ccc(cc4)Cl,0.0
49447,CO-ADD:0288014,1.93,c(CCN(CC)CC)(c1C)c(C)c([nH]1)C=O,0.0
49448,CO-ADD:0299364,1.92,N(Cc1ccccc1C)(C2=O)C(=O)N(c3c2n(C)cn3)C,0.0
49449,CO-ADD:0299372,1.92,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(cc4OCC)cc(c4OCC(O)=O)Br)\C1=O,0.0
49450,CO-ADD:0257828,1.92,C1(C(=O)OCC(F)(F)F)=C(C)NC(=O)NC1c(cc2)ccc2[N+](=O)[O-],0.0
49451,CO-ADD:0257845,1.92,C1(C(OCCCCCCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)O)=O,0.0
49452,CO-ADD:0277394,1.92,N12C(S\C(=C\c(cc3)ccc3I)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
49453,CO-ADD:0283498,1.92,c1(C#N)nonc1N,0.0
49454,CO-ADD:0259720,1.92,c1(cc(ccc1N2CCCCC2)[N+](=O)[O-])C(=O)Nc3cc(OC)cc(cccn4)c34,0.0
49455,CO-ADD:0259570,1.92,C(=C\c(ccc1Sc2sc3c(ccc(OCC)c3)n2)o1)(/C(=O)NC(N4)=O)\C4=O,0.0
49456,CO-ADD:0284465,1.92,c1(NC(=O)c2ccc(cc2Cl)Cl)oc(c(c3ccccc3)c1C#N)c4ccccc4,0.0
49457,CO-ADD:0257378,1.92,n1c(c2ccccc2)nnn1CC(=O)N([H])\N=C\c(ccc3c4ccc(cc4)Cl)o3,0.0
49458,CO-ADD:0257546,1.92,n1(nnc(C(OCC)=O)c1CNc2ccccc2C(OCC)=O)c3nonc3N,0.0
49459,CO-ADD:0258948,1.92,c1(ccn(C)n1)C(=O)NNC(CCC(O)=O)=O,0.0
49460,CO-ADD:0258836,1.92,C1(=C(O)CC(C)(C)CC1=O)C(c2cccc(c2)OCc3ccccc3)C4C(=O)CC(CC4=O)(C)C,0.0
49461,CO-ADD:0260161,1.92,n1c[nH]nc1SCC(=O)Nc2c(C)cccc2C,0.0
49462,CO-ADD:0259601,1.92,c1(SCc(cc2)ccc2I)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
49463,CO-ADD:0278083,1.92,n(CC(=C1C)C)(c2CCCCC)c1cc3c2c(C)c(n3)C(OCC)=O,0.0
49464,CO-ADD:0258843,1.92,N(=C\c(ccc(c1OC)C)c1)/NC(CCCC(=O)NC2CCCCC2)=O,0.0
49465,CO-ADD:0257346,1.92,n1c(N2CCCCC2)nc(nc1N(CC3)CCO3)N\N=C\c(cc(Br)cc4Br)c4O,0.0
49466,CO-ADD:0290635,1.92,C(c1c(cccc1)NC2(C)C)(\C(=N\c3ccc(cc3OC)OC)\SS4)=C24,0.0
49467,CO-ADD:0285440,1.92,c12c(c(nn1c3ccccc3)C)cc(C(=O)Nc4cc(C)ccc4OC)s2,0.0
49468,CO-ADD:0286519,1.92,C1(=O)C(C(C(C#N)C#N)c2cccc(Cl)c2)C(=NN1c3ccccc3)C,0.0
49469,CO-ADD:0286481,1.92,C(=O)(C(c1ccccc1)c2ccccc2)NC(C)C(=O)Nc(ccc(c3C)C)c3,0.0
49470,CO-ADD:0286881,1.92,n1(C)c(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)NC4CCCCC4)c2)nnc1Cc5cccc(cccc6)c56,0.0
49471,CO-ADD:0279113,1.92,C1(C(=O)Nc(cccc2c3csc(C)n3)c2)=Cc4c(OC1=O)ccc(Br)c4,0.0
49472,CO-ADD:0278882,1.92,C1(C2)(CC(CN2CC(O)=O)(CC=C1)[N+](=O)[O-])[N+](=O)[O-],0.0
49473,CO-ADD:0258924,1.92,n1c(c2)c([nH]c1c3ccc(cc3)NC(=O)c(cccc4[N+](=O)[O-])c4)ccc2C(c5ccccc5)=O,0.0
49474,CO-ADD:0258789,1.92,C1(C(OCCC#N)=O)=C(C)NC(NC1c2ccc(c(Cl)c2)Cl)=O,0.0
49475,CO-ADD:0258749,1.92,C1(C(OCCCC)=O)=C(C)NC(=C2C1c(cc3OC)cc(c3O)Br)CCCC2=O,0.0
49476,CO-ADD:0259395,1.92,N1(c2cccc(F)c2)C(=O)\C(\SC1=S)=C/c(c3c([nH]4)cccc3)c4,0.0
49477,CO-ADD:0259963,1.92,c1(c2)c(cc(OC)c2NC(CC(C3)CC3)=O)c4c(cccc4)o1,0.0
49478,CO-ADD:0259318,1.92,c(OC(=O)C=C1C)(c(C)c2O)c1cc2C(C)=O,0.0
49479,CO-ADD:0259559,1.92,n1(c2c(nc1SCC(OCC)=O)cccc2)C(OC)=O,0.0
49480,CO-ADD:0257650,1.92,N1(c2c(C)cc(cc2C)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cccc(I)c4,0.0
49481,CO-ADD:0257858,1.92,N1(c(cc2)ccc2C(O3)=Nc(c4C3=O)ccc(OC(C)=O)c4)C(=O)c(c5C1=O)ccc(c5)C(O6)=Nc(c7C6=O)ccc(OC(C)=O)c7,0.0
49482,CO-ADD:0290887,1.92,C1(c2ccccc2)(Nc(c(C)cc(c3C(C)C)OC)c3)C(=O)c4c(cccc4)C1=O,0.0
49483,CO-ADD:0290832,1.92,S(=O)(=O)(c1ccc(cc1C)C)Oc2c(Cl)cc(c(cccn3)c23)Cl,0.0
49484,CO-ADD:0288753,1.92,c(C)(c1)n(c(C2CCOCC2)n1)C3CN(CCC3)C(c4oc([N+](=O)[O-])cc4)=O,0.0
49485,CO-ADD:0299201,1.92,[N+](=O)([O-])c(ccc(n1)NCCNC(=S)Nc(cc2)ccc2Cl)c1,0.0
49486,CO-ADD:0299633,1.92,N1(c2cc(C)ccc2C)C(=O)c3c(cc(cc3)Oc4cccc(c4)NC(C)=O)C1=O,0.0
49487,CO-ADD:0288712,1.92,C1(CC1)Cn(c2C)c(CCC3NCCC3)nc2.Cl.Cl,0.0
49488,CO-ADD:0285707,1.92,C(=N/c(cc1)ccc1C)(/SC=C2c3ccc(cc3)F)\N2CC.Br,0.0
49489,CO-ADD:0257454,1.92,c1(nnc(CSCc2ccccc2)s1)NC(=O)c3ccc(cc3Cl)Cl,0.0
49490,CO-ADD:0257774,1.92,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(ccc(c3OC)OC)c3)\N2,0.0
49491,CO-ADD:0257814,1.92,c1(nc(c2n1CC(=O)N\N=C/c(cn(n3)Cc4ccc(cc4Cl)Cl)c3c5ccccc5)cccc2)c6nonc6N,0.0
49492,CO-ADD:0257792,1.92,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4Br)OCc5ccccc5)c4)\C1=O,0.0
49493,CO-ADD:0278730,1.92,n1(c2ccccc2)c(SCc(ccc(c34)OCO3)c4)nnc1c5ccc(cc5)OC,0.0
49494,CO-ADD:0277844,1.92,n(C(=O)c1ccccc1F)(nc(c2[N+](=O)[O-])C)c2,0.0
49495,CO-ADD:0257608,1.92,c(CC(NC(=O)Oc1ccccc1)C(=O)Nc(c2)cc(cc2C)C)(c3c([nH]4)cccc3)c4,0.0
49496,CO-ADD:0284055,1.92,c1(nnc(SCc2ccccc2)s1)NC(=O)c3ccc(cc3)F,0.0
49497,CO-ADD:0259396,1.92,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3OC)OC)c3.Cl,0.0
49498,CO-ADD:0284265,1.92,c12c(c(ccc1N(CC3)CCO3)C4=O)c(ccc2N(CC5)CCO5)C(O4)=O,0.0
49499,CO-ADD:0259757,1.91,c12c(nnc(SC(CC)C(=O)Nc3ccccc3C#N)n1)c4c(cccc4)n2C,0.0
49500,CO-ADD:0257323,1.91,C(=C\c(ccc(c1OC)OCC(O)=O)c1)(/C(=O)NN2c3ccc(c(Cl)c3)C)\C2=O,0.0
49501,CO-ADD:0257627,1.91,C(/C#N)(=C/c1sccc1C)\c2scc(C)n2,0.0
49502,CO-ADD:0290352,1.91,c(N1CC1)(nc(Cl)nc2N3CC3)n2,0.0
49503,CO-ADD:0290337,1.91,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc2ccc(cc2C(O)=O)I,0.0
49504,CO-ADD:0291051,1.91,n1(c2c(nn1)cccc2)S(=O)(=O)c3c(OC)ccc(Cl)c3,0.0
49505,CO-ADD:0288785,1.91,C12(CCN(CC1)C(c3oc([N+](=O)[O-])cc3)=O)CC(CCO2)Cc4ccc(F)cc4,0.0
49506,CO-ADD:0288777,1.91,C12(OCCC(C1)NS(=O)(=O)c3ccc(Br)cc3)CCN(CC2)C(c(c4)oc([N+](=O)[O-])c4)=O,0.0
49507,CO-ADD:0289047,1.91,c1(nnc(CCCC(=O)O)s1)C(=O)Nc(cccc2Cl)c2,0.0
49508,CO-ADD:0299695,1.91,[nH]1c2c(nc1SCC(OCC)=O)cccn2,0.0
49509,CO-ADD:0290652,1.91,C(C(c1ccccc1)=O)(C2c3ccccc3[N+](=O)[O-])=C(O)C(N2c(cccn4)c4)=O,0.0
49510,CO-ADD:0260066,1.91,N12C(S\C(=C/c(cc3)ccc3OCc4ccccc4Cl)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)c(cc5Br)OC,0.0
49511,CO-ADD:0284008,1.91,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4cc5c(cc4Cl)OCO5,0.0
49512,CO-ADD:0257784,1.91,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4ccccc4)c3)\N2,0.0
49513,CO-ADD:0259037,1.91,c1(nn(cn1)CC(=O)C2CC2)[N+](=O)[O-],0.0
49514,CO-ADD:0259730,1.91,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3OC)cc(c3OCC)Br,0.0
49515,CO-ADD:0258437,1.91,N1(c2ccc(cc2)OCC)C(=O)CC(N(CCc3ccccc3)C(CCC(O)=O)=O)C1=O,0.0
49516,CO-ADD:0283192,1.91,C(=N/c1ccccc1)(/S\C(\C2=O)=C\c(cc3OC)cc(c3OCc4ccccc4Cl)Br)\N2,0.0
49517,CO-ADD:0277484,1.91,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3F)\N2CCCCCCO)N4CCCC4.Br,0.0
49518,CO-ADD:0300038,1.91,C(C(OCC)=O)(=C(CCC)NC(=C1C#N)SC)C1c2ccccc2Cl,0.0
49519,CO-ADD:0288811,1.91,c1(C(NCC#C)=O)ccc(Cl)cc1,0.0
49520,CO-ADD:0259805,1.91,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c3ccc(c(OC)c3)OC)=O,0.0
49521,CO-ADD:0259421,1.91,c12c(nnc(SCC(=O)NCc3ccco3)n1)c4c(cccc4)n2Cc5ccccc5,0.0
49522,CO-ADD:0277627,1.91,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(N)=O)C2c3ccccc3OC,0.0
49523,CO-ADD:0260184,1.91,C1(c2ccccc2Cl)=N\C(\C(=O)O1)=C/c(ccc(c3OCC)OC)c3,0.0
49524,CO-ADD:0259632,1.91,C(=O)(NC1CCCCC1)C(=O)NCc2ccccc2OC,0.0
49525,CO-ADD:0259271,1.91,C(=O)(c(ccc(c12)OCO1)c2)Nc(cc3)cc(c3Oc4ccc(c5c4Cl)cccc5)Cl,0.0
49526,CO-ADD:0257643,1.91,N1(c(cc(cc2C(=O)Nc3ccc(cc3C(O)=O)O)C(=O)Nc4ccc(cc4C(O)=O)O)c2)C(=O)c(c5C1=O)cccc5,0.0
49527,CO-ADD:0278522,1.91,c(C1c2ccccc2Cl)(c3N)c(NC(C)=C1C(=O)Nc4ccccc4)sc3C(=O)c5ccc(cc5)Cl,0.0
49528,CO-ADD:0257260,1.91,C(=O)(Nc1ccc(cn1)Br)c2ccccc2NC(c3ccccc3)=O,0.0
49529,CO-ADD:0286606,1.91,C1(C(=O)NNC(COc(cc2)ccc2CCCC)=O)=Cc3c(OC1=O)ccc(Br)c3,0.0
49530,CO-ADD:0300065,1.91,C(=C\c1c(OC)cc(cc1OC)OC)(/C(=O)NC(N2C)=O)\C2=O,0.0
49531,CO-ADD:0290330,1.91,N1(C)C(C)(C)C\C(\CC1(C)C)=N/OC(c2ccccc2)=O.Cl,0.0
49532,CO-ADD:0289111,1.91,c1(C(=O)Nc(cc2)ccc2C(O)=O)sc(nn1)Cc3ccccc3F,0.0
49533,CO-ADD:0288937,1.91,n12c(c3c(Oc(cc(Br)cn4)c14)cccc3)cc(C(F)(F)F)n2,0.0
49534,CO-ADD:0288693,1.91,n1(CCOC)c(cnc1CCNC(=O)OC(C)(C)C)C,0.0
49535,CO-ADD:0299192,1.91,N1(c(cc2)ccc2C(OC)=O)C(=O)CC(N(CC3)CCN3Cc(cc4)ccc4Cl)C1=O,0.0
49536,CO-ADD:0299224,1.91,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCCCCCCC,0.0
49537,CO-ADD:0283146,1.91,c(c1ccc2)(c23)C(c4c(cccc4)S1)c5c(cccc5)C3=O,0.0
49538,CO-ADD:0257604,1.91,C(=O)(NNC(=O)c1ccc(c(OC)c1)OC)C(=O)N2CCCC2,0.0
49539,CO-ADD:0260014,1.91,n1(C(C)(C)CC(C)=O)nc(nn1)C,0.0
49540,CO-ADD:0260071,1.91,C(C(=O)OCC1CCCO1)(C2c(cc3)ccc3C(OC)=O)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
49541,CO-ADD:0260087,1.91,n1c(c2ccc(cc2)CC(C)C)csc1Nc3c(OC)cc(c(OC)c3)Cl.Br,0.0
49542,CO-ADD:0277532,1.91,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
49543,CO-ADD:0277564,1.91,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c(cccc4C(F)(F)F)c4)\SC=C1c5ccc(cc5)C.Br,0.0
49544,CO-ADD:0277852,1.91,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c5cccs5)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
49545,CO-ADD:0259495,1.91,C1(C(=O)Nc2ccccc2OC)C3C1C4CC3CC4,0.0
49546,CO-ADD:0259451,1.91,n1c2c(oc1c3ccc(cc3)NC(CSc4nncn4C)=O)ccc(c2)NC(CSc5nncn5C)=O,0.0
49547,CO-ADD:0259339,1.91,S(=O)(=O)(N1CCC(CC1C)C)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c(ccc(c34)OCO3)c4,0.0
49548,CO-ADD:0260173,1.91,C(=O)(C(NCCN(CC1)CCO1)=O)Nc2ccccc2F,0.0
49549,CO-ADD:0259454,1.91,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3F)\N2CC(C)C)N(CC4)CCO4.Br,0.0
49550,CO-ADD:0278959,1.9,[N+](=O)([O-])\C(\C)=C\c(ccc(c1OC)OCCCCCC)c1,0.0
49551,CO-ADD:0257688,1.9,N1(c2cccc(c2)C(=O)OC3CC(C)CCC3C(C)C)C(=O)C(C(C(c4c5cccc4)c6c7cccc6)C1=O)C57,0.0
49552,CO-ADD:0258404,1.9,c1(NC(CCC)=O)nnc(Cc(cc2)ccc2Cl)s1,0.0
49553,CO-ADD:0259021,1.9,c1(\C=N\c(cc2)ccc2N(CC3)CCO3)c(Sc4ccccc4)cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
49554,CO-ADD:0258389,1.9,N1(c2ccc(cc2)F)C(=O)C(C(C1=O)C34C=O)C(c(c35)cccc5)c(c46)cccc6,0.0
49555,CO-ADD:0288910,1.9,c1nc([N+](=O)[O-])cn1Cc(n2Cc3cccc(F)c3)ncc2C,0.0
49556,CO-ADD:0289006,1.9,c1(C(=O)Nc(cccc2C(O)=O)c2)sc(nn1)COc3cccc(C)c3,0.0
49557,CO-ADD:0288663,1.9,C(=O)(OC(C)(C)C)N(CCC1c(n(c2C)CC3CC3)nc2)CC1,0.0
49558,CO-ADD:0285999,1.9,O=C(C1=CC=NC=C1)N/N=C2[C@@H]3[C@H](OC(C4=CC=CC=C4)=O)C[C@H](OC(C5=CC=CC=C5)=O)[C@@H]3CC/2,0.0
49559,CO-ADD:0286661,1.9,N1(c2ccc(c3c2)OCO3)C(=O)C(C(C1=O)C45C(C)=O)C(c(c46)cccc6)c(c57)cccc7,0.0
49560,CO-ADD:0287504,1.9,N1(CC(=O)N2C(C)(C)CC(c(cc3C(c4ccccc4)(c5ccccc5)c6ccccc6)c2cc3)(C)c7ccc(cc7)C)C(=O)c(c8C1=O)cccc8,0.0
49561,CO-ADD:0288981,1.9,S1(=O)(=O)c2c(ccc(F)c2)Oc(cc(C#N)c(F)c3)c3N1CC,0.0
49562,CO-ADD:0278731,1.9,C(O)(=O)c1ccc(cc1)CSCc2ccco2,0.0
49563,CO-ADD:0283684,1.9,c1(CN(CC2)CCO2)nnnn1c3ccccc3,0.0
49564,CO-ADD:0284836,1.9,C(C(OCC)=O)(NC(CC)=O)(C(F)(F)F)Nc1nc(cccc2)c2nc1C(F)(F)F,0.0
49565,CO-ADD:0277582,1.9,n1(c(C)c(nn1)C(OCC)=O)c2nonc2NC(C)=O,0.0
49566,CO-ADD:0278818,1.9,c1(cccc(C)c1NC(=O)C(C)Oc2ccccc2)C(O)=O,0.0
49567,CO-ADD:0277686,1.9,C(/C(=O)C1)(\C(=O)CC1(C)C)=C(/c2c(cccc2)CC34CCCCC3)\N4,0.0
49568,CO-ADD:0283492,1.9,C(/C(c1ccccc1)=O)=C\c2ccco2,0.0
49569,CO-ADD:0288572,1.9,C1(CCN(C1)C(OC(C)(C)C)=O)Cc2ncc(C)n2C(C)C,0.0
49570,CO-ADD:0285393,1.9,c1(OC(N)=C(C2C(C)c3ccccc3)C#N)c2c([nH]n1)C,0.0
49571,CO-ADD:0286938,1.9,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)F)CC(=O)Nc(cc3)ccc3C(C)=O,0.0
49572,CO-ADD:0260072,1.9,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccccc4OCC,0.0
49573,CO-ADD:0259819,1.9,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c3ccccc3OCc4ccccc4)=O,0.0
49574,CO-ADD:0260051,1.9,N1(c2cccc(C(C)=O)c2)C(=O)C(C(C1=O)C(C)(c3c4cccc3)c5c6cccc5)C46C,0.0
49575,CO-ADD:0257272,1.9,c1(C(N(CC2)CCO2)c3ccccc3Cl)nnnn1c4cccc(Cl)c4,0.0
49576,CO-ADD:0257568,1.9,n1(c(cc2)ccc2n3cnnn3)cnnn1,0.0
49577,CO-ADD:0257669,1.9,c1(SCC)nc(c2n1CC(=O)Nc(cc3)ccc3[N+](=O)[O-])cccc2,0.0
49578,CO-ADD:0257701,1.9,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Br)c4sc(c5c4C(OC)=O)CCCC5,0.0
49579,CO-ADD:0258954,1.9,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCN3CC)C1=O,0.0
49580,CO-ADD:0258859,1.9,S(C)(=O)(=O)N(c1ccccc1C)CC(=O)N(CC2)CCN2c3ccccc3OC,0.0
49581,CO-ADD:0258133,1.9,C(=O)(C1CCCCC1C(O)=O)N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-],0.0
49582,CO-ADD:0289060,1.9,c(C(=O)Nc1nnc(CC)s1)(nnc2C(OCC)=O)s2,0.0
49583,CO-ADD:0299824,1.9,C(=C/c1c(OC)ccc(cccc2)c12)(/C(=O)NC(N3C)=O)\C3=O,0.0
49584,CO-ADD:0300032,1.9,C(C#N)(C1c2ccccc2Cl)=C(SCC(N)=O)NC(N)=C1C#N,0.0
49585,CO-ADD:0288607,1.9,C(=O)(OC(C)(C)C)N(CCCC1n2c(C)cnc2c3ccncc3)C1,0.0
49586,CO-ADD:0289026,1.9,n1c(CCN(C)C(=O)Nc2ccccc2C)noc1c(cc3)ccc3C(O)=O,0.0
49587,CO-ADD:0259411,1.89,C(=O)(c1cccnc1Oc(cc2)ccc2F)NC(C)(C(C)C)C(N)=O,0.0
49588,CO-ADD:0258067,1.89,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc2c3c(OC)ccc(c3)[N+](=O)[O-])o2,0.0
49589,CO-ADD:0259014,1.89,C(=N/c1ccccc1)(/c(cccn2)c23)\c(c4)c3c(cc4[N+](=O)[O-])C,0.0
49590,CO-ADD:0278103,1.89,n(c(c1)c2ccc1C(c3ccccc3)=O)c(c4ccc(cc4)F)c(n2)c5ccc(cc5)F,0.0
49591,CO-ADD:0285754,1.89,c1(N(CC2)CCN2C(=O)c3cccc(C)c3)sc(c4n1)cccc4,0.0
49592,CO-ADD:0285346,1.89,c1(NC(=O)CN(CC2)CCO2)nnc(SCC(=O)Nc3cccc(C)c3)s1,0.0
49593,CO-ADD:0291983,1.89,c(C(OCC)=O)(cnn1Cc(cc2)ccc2Cl)c1C,0.0
49594,CO-ADD:0291720,1.89,c12c(C(NC(=O)N1C)=O)n(c(SCC(C)C)n2)Cc(cc3)ccc3C,0.0
49595,CO-ADD:0277672,1.89,c1(ccc(cc1F)\C(\C)=N\Nc(cc2)ccc2F)N(CC3)CCO3,0.0
49596,CO-ADD:0259437,1.89,c12c(nnc(SCC(=O)Nc(cccc3C(F)(F)F)c3)n1)c4c(cccc4)n2Cc5ccccc5,0.0
49597,CO-ADD:0277833,1.89,N1(C2c3ccccc3OC)C(S\C(=C\c(cc(OCO4)c4c5)c5Br)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
49598,CO-ADD:0277612,1.89,n1(c(C)c(nn1)C(OCCOC)=O)c2nonc2N,0.0
49599,CO-ADD:0259827,1.89,C1(C(=O)OCc(cc2)ccc2C)=C(C)NC(NC1c(cc3OC)cc(c3OC)OC)=O,0.0
49600,CO-ADD:0257606,1.89,N1(CCc(ccc(c2OC)OC)c2)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
49601,CO-ADD:0257318,1.89,N1(c(ccc(c2C(O)=O)Cl)c2)C(=O)c3c(cc(cc3)Oc(ccc(c4C5=O)C(N5c(ccc(c6C(O)=O)Cl)c6)=O)c4)C1=O,0.0
49602,CO-ADD:0258386,1.89,C(C)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc(cccn5)c5)C24,0.0
49603,CO-ADD:0258630,1.89,n1(c2ccc(cc2)I)c(C)c(cc1C)\C=N\NC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
49604,CO-ADD:0291674,1.89,c1(C(c2ccccc2)=O)c3c(sc1N)CCCC3,0.0
49605,CO-ADD:0291627,1.89,c1(nncs1)NC(=O)Nc(cc2)ccc2C,0.0
49606,CO-ADD:0287407,1.89,N1(C2c3cccc(OC)c3)C(S\C(=C/c(ccc(c4O)OC)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
49607,CO-ADD:0286716,1.89,c12c(nnc(S)n1)c3c(cccc3)n2CCc4ccccc4,0.0
49608,CO-ADD:0299869,1.89,c1(nc(c2ccccc2)cc3c4ccccc4)n3c5c(cccc5)n1,0.0
49609,CO-ADD:0299940,1.89,C(=C(C)NC(=C1C#N)SCC(=O)Nc2ccccc2)(C(=O)Nc3ccccc3OC)C1c4ccccc4,0.0
49610,CO-ADD:0288017,1.89,S1(=O)(=O)C(c2ccccc2)C(=O)Nc3c1cc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
49611,CO-ADD:0290922,1.89,N(Cc1ccccc1)(C(c2ccc(cc2)Cl)=NN3CN(CC4)CCC4c5ccccc5)C3=S,0.0
49612,CO-ADD:0290971,1.89,S1(=O)(=O)c(cccc2)c2C(N(C)CC(COc3ccccc3)OC(=O)c4ccccc4Br)=N1,0.0
49613,CO-ADD:0291011,1.89,C(C#N)(C(c1ccc(cc1)SC)C2=C(N3c4ccc(c(Cl)c4)C)CCCC2=O)=C3N,0.0
49614,CO-ADD:0260178,1.89,S(C)(=O)(=O)N(Cc(cc1)ccc1C(=O)N\N=C(/CCCCCCCCCC2)\C2)c3ccc(c(C)c3)C,0.0
49615,CO-ADD:0278064,1.89,c(non1)(\C(=N/OCc2ccc(cc2Cl)Cl)\NC=N3)c13,0.0
49616,CO-ADD:0285347,1.89,n1(nc(s2)SCC(=O)Nc(cccc3[N+](=O)[O-])c3)c2nnc1SCC(=O)Nc(cccc4[N+](=O)[O-])c4,0.0
49617,CO-ADD:0277322,1.89,N1(c2ccc(cc2)OCCCC)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
49618,CO-ADD:0283211,1.89,[N+](=O)([O-])c(ccc(c1C=C2C3=CCCC2)O3)c1,0.0
49619,CO-ADD:0284355,1.89,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(NCCC)=O)c1Br,0.0
49620,CO-ADD:0278059,1.89,N1(c2ccccc2)C(=O)CC(N(Cc(cc3)ccc3S(N)(=O)=O)C(C)=O)C1=O,0.0
49621,CO-ADD:0257225,1.89,N1(c2ccc(c(Cl)c2)Cl)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
49622,CO-ADD:0257265,1.89,[n+]1(cnn(Cc(cc2)ccc2C(OC)=O)c1)[N-][N+](=O)[O-],0.0
49623,CO-ADD:0257902,1.89,C(=O)(Nc(ccc(c12)ccc(C)n1)c2)c3ccccc3F,0.0
49624,CO-ADD:0257934,1.89,C(=O)(c1ccc(cc1)OC)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3CC,0.0
49625,CO-ADD:0259165,1.89,C(=N/c1ccccc1)(/SC=C2c3ccc(cc3)Br)\N2CCCO.Br,0.0
49626,CO-ADD:0277423,1.89,C(=O)(c1ccc(cc1)C)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3F,0.0
49627,CO-ADD:0283083,1.89,C12(CC3CC(CC(C3)C1)C2)C(=O)O\N=C(/N)\c4ccc(cc4)Cl,0.0
49628,CO-ADD:0258710,1.89,c1(nnc(Cc(c2c([nH]3)cccc2)c3)s1)NC(=O)c4ccc(cc4)OC,0.0
49629,CO-ADD:0257712,1.89,C(=S)(c1ccc(cc1)OC(=O)c(cc2OC)cc(c2OC)OC)N3CCCCC3,0.0
49630,CO-ADD:0294554,1.89,c1(N2CCCCC2)nc(ccc(c3)Br)c3c(c4ccccc4)c1C(C)=O,0.0
49631,CO-ADD:0296018,1.88,C(C(C)=O)(C1c2ccc(cc2)Br)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
49632,CO-ADD:0295577,1.88,c1(C(=O)N(C)Cc2ccccc2)c(cc(cc1[N+](=O)[O-])N=[N+]=[N-])[N+](=O)[O-],0.0
49633,CO-ADD:0292368,1.88,C(/C1)(=C/c2cc(Br)ccc2OC)\C(=O)\C(\CC1C(C)(C)C)=C\c3cc(Br)ccc3OC,0.0
49634,CO-ADD:0293980,1.88,C1(C(=O)C(C)(O)CC(C(=O)OC(C)C)C1c(cc2)ccc2N(C)C)C(=O)OC(C)C,0.0
49635,CO-ADD:0293313,1.88,c1(noc(N)n1)c2nonc2N,0.0
49636,CO-ADD:0292259,1.88,n1(c2ccccc2)nnnc1SCC(=O)N(CC3)CCN3c4sc(c(ccc5[N+](=O)[O-])n4)c5,0.0
49637,CO-ADD:0292592,1.88,c1(ccc(\C=C\C(=O)c2ccc(cc2)Br)o1)N(CC3)CCO3,0.0
49638,CO-ADD:0295176,1.88,N1(CC(=O)C23CC4CC(CC(C4)C2)C3)c5c(N(C)C1=N)cccc5.Br,0.0
49639,CO-ADD:0293087,1.88,c(cc1)(c(F)cc1C(c2ccccc2)=O)N3CCCC3,0.0
49640,CO-ADD:0294947,1.88,C1(=O)\C(=C(/C)\CC)\C(NN1c2ccc(cc2)Br)=O,0.0
49641,CO-ADD:0290679,1.88,c(C(S)=O)(c1CC(C)C)c(C(F)(F)F)nc(C([H])(F)F)c1C(SC)=O,0.0
49642,CO-ADD:0290432,1.88,C1(C(C(C)C)=O)=Cc(c2)c(OC1N(CC3)CCO3)ccc2[N+](=O)[O-],0.0
49643,CO-ADD:0290697,1.88,S(=O)(=O)(c1ccc(cc1)C=O)Oc(cc2)ccc2Br,0.0
49644,CO-ADD:0286800,1.88,N1(c2c(Cl)cc(cc2Cl)Cl)C(=O)\C(\C(NC(=O)c(cccc3N4C(=O)c(c5C4=O)cccc5)c3)=N1)=C/c(cc6)ccc6N(CC)CC,0.0
49645,CO-ADD:0286560,1.88,c1(nnnn1c2ccccc2)C(Nc(cc3)ccc3Cl)c4ccccc4Cl,0.0
49646,CO-ADD:0299968,1.88,c1(SCC(=O)NC(C)(C)C)[nH]c(c2n1)cccc2,0.0
49647,CO-ADD:0287641,1.88,c1(NC(COC(=O)C(CCSC)NC(c2ccccc2)=O)=O)cc(on1)C,0.0
49648,CO-ADD:0287361,1.88,C1(c2cccc(cccc3)c23)N(CCCN1Cc(cc4)ccc4OC)Cc(cc5)ccc5OC,0.0
49649,CO-ADD:0285573,1.88,C1(Nc2cccc(Cl)c2)=NCC(CBr)S1.Br,0.0
49650,CO-ADD:0299612,1.88,N1(c2ccc(cc2)OC(F)(F)F)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
49651,CO-ADD:0291538,1.88,C1(SC(=C2C(OC)=O)C(OC)=O)(S2)C(C(OC)=O)=C(C(OC)=O)SC(C(N3CCC)(C)C)=C1c4c3cccc4,0.0
49652,CO-ADD:0287341,1.88,C(c1cccc(F)c1)(Oc(ccc(c2)C)c2C3=O)=C3,0.0
49653,CO-ADD:0294542,1.88,n1(c(c2ccccc2)c(n3)c(cc4)ccc4c5ccccc5)c3nc(c6ccccc6)c(c7ccccc7)n1,0.0
49654,CO-ADD:0292926,1.88,n1c(C)c(sc1N)Cc(cc2)ccc2O,0.0
49655,CO-ADD:0294596,1.88,C1(C(=O)Nc2ccccc2C(N)=O)=C(O)c3c(cccc3)NC1=O,0.0
49656,CO-ADD:0293605,1.88,C(=C(/CCC1)\C1)(/C#N)\C(=O)Nc2ccccc2Cl,0.0
49657,CO-ADD:0294634,1.88,N1C(CC)(Cc2ccccc2)Oc(c3C1=O)cccc3,0.0
49658,CO-ADD:0292525,1.88,N1(C)C(=O)CCN(C=O)c(cccc2)c12,0.0
49659,CO-ADD:0295826,1.88,N1(c2ccccc2)C(=O)C(CC1=O)NC3CCCCC3C,0.0
49660,CO-ADD:0295328,1.88,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c3c(OC)cc(cc3OC)OC)\C1=O)=O,0.0
49661,CO-ADD:0295321,1.88,C(=C/c(ccc(c1O)O)c1)(/C(=O)NC(N2CC=C)=O)\C2=O,0.0
49662,CO-ADD:0292708,1.88,N(\C(=C/c1ccccc1OC(=O)c2ccccc2Br)\C(O3)=O)=C3c4ccc(cc4)C,0.0
49663,CO-ADD:0294021,1.88,C(O)(=O)c1ccc(cc1)Oc(cc2)ccc2N,0.0
49664,CO-ADD:0293993,1.88,S(=O)(=O)(CCc1oc(c2n1)cccc2)c3ccc(c(Cl)c3)Cl,0.0
49665,CO-ADD:0293092,1.88,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCC2)C(=O)N(CC4)CCN4Cc5ccccc5,0.0
49666,CO-ADD:0295534,1.88,C1(=C2N)C(Sc3c2ccc(n3)CC(C)C)C(N(c4ccccc4)C1=O)=O,0.0
49667,CO-ADD:0293274,1.88,c1(c2c(sc1NC(=O)c3ccco3)CCCC2)C(=O)Nc4ccccc4,0.0
49668,CO-ADD:0287355,1.88,N1(C2c3ccc(cc3)OC)C(S\C(=C/c4cccs4)\C1=O)=NC(c5ccccc5)=C2C(OCC)=O,0.0
49669,CO-ADD:0291103,1.88,N1(c2cccc(C)c2)C(=O)C(CC1=O)Sc3sc(c4n3)cccc4,0.0
49670,CO-ADD:0285493,1.87,s1c(N)nnc1SCc2ccccc2C#N,0.0
49671,CO-ADD:0299700,1.87,N1(O)C(C)(C)CC(CC1(C)C)N(C)C(c(cc2)ccn2)=O,0.0
49672,CO-ADD:0299166,1.87,C1(C#N)=C(N)OC(=C2C1c3cccc(OC)c3OC(=O)N(CC4)CCO4)CCCC2=O,0.0
49673,CO-ADD:0290531,1.87,c1(c(C=O)c(n2)C)n2c3c(cccc3)n1C,0.0
49674,CO-ADD:0290544,1.87,n1(c(cc(C)cc2C)c2n3)c3S\C(=C\c4sccc4C)\C1=O,0.0
49675,CO-ADD:0286833,1.87,C1(Cl)(Cl)C(C1CC2)CCC3C2C3C(=O)Nc(cc4)ccc4Br,0.0
49676,CO-ADD:0299985,1.87,O1C(c(cc2)ccc2[N+](=O)[O-])C(O)COC1c(cc3)ccc3[N+](=O)[O-],0.0
49677,CO-ADD:0299506,1.87,C(C)(=O)NNc(cc1)ccc1Br,0.0
49678,CO-ADD:0287689,1.87,N1(C(=O)CSc2nnc(C)s2)c3c(cccc3)C(CC1(C)C)(C)c4ccccc4,0.0
49679,CO-ADD:0287242,1.87,C1(F)(C(F)(F)C(=O)Nc2ccccc2CC)OC(C(F)(F)C1(F)F)(F)F,0.0
49680,CO-ADD:0287290,1.87,C1(C(OC)=O)(C(F)(F)F)N=C(N2CCCCC2)Oc3c1c(C)nn3c4ccccc4,0.0
49681,CO-ADD:0287948,1.87,c12c(n[nH]c1c3ccccc3)OC(=C(C#N)C24CCN(CC4)C)N,0.0
49682,CO-ADD:0287964,1.87,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c(cc5)ccc5N(C)C)cccc4,0.0
49683,CO-ADD:0286130,1.87,N1(CCc(cccc2)c12)C(=O)CSc3sc4c(ccc(N)c4)n3,0.0
49684,CO-ADD:0284940,1.87,N(C(=O)\C(\S1)=C/c(cc2)ccc2C(C)(C)C)=C1N3CCCCC3,0.0
49685,CO-ADD:0296107,1.87,c1(c(NCCNCCOc2nonc2N)ccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
49686,CO-ADD:0296152,1.87,c1(c[nH]nc1C(=O)Nc(cc2)ccc2OC(F)(F)F)[N+](=O)[O-],0.0
49687,CO-ADD:0295245,1.87,C1(C(F)(F)F)(C(F)(F)F)N=C(c(cc2)ccn2)OC(N(CC3)CCO3)=N1,0.0
49688,CO-ADD:0295256,1.87,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1NCCOc2ccccc2OC,0.0
49689,CO-ADD:0296095,1.87,C(=O)(Nc1c(C)cccc1C)c2cccnc2Oc(cc3)ccc3Cl,0.0
49690,CO-ADD:0295629,1.87,C(C(OCC)=O)(C1c2ccccc2)=C(N)OC(CCCC3=O)=C13,0.0
49691,CO-ADD:0292511,1.87,C(C(=O)OCc1ccccc1)(C(c(cc2)ccc2C(F)(F)F)N3)=C(C)N(C3=O)C,0.0
49692,CO-ADD:0295126,1.87,C(=O)(NN(C)C)c1ccc(C)o1,0.0
49693,CO-ADD:0295116,1.87,c1(Oc2ccc(cc2C)Cl)nc(C)cc(C)c1C(N)=O,0.0
49694,CO-ADD:0292325,1.87,c(ccc1C(=O)N(CC2)CCN2c3ccccc3)(C(=O)N(CC4)CCN4c5ccccc5)s1,0.0
49695,CO-ADD:0293019,1.87,C(=CC(\C=C\c(ccc(c1OCC)OC)c1)=NC2=O)(C(F)(F)F)N2,0.0
49696,CO-ADD:0292382,1.87,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4\C(=N\c5ccccc5)\C1=O,0.0
49697,CO-ADD:0294906,1.87,c(c1c2ccccc2)(C3c4cccn4C)c([nH]n1)OC(N)=C3C#N,0.0
49698,CO-ADD:0293283,1.87,C12(C#N)C(CCCC3)C3(OC1=N)OC(CCC)C2(C#N)C#N,0.0
49699,CO-ADD:0293352,1.87,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5ccccc5Cl)cccc4,0.0
49700,CO-ADD:0294992,1.87,c12c(nc(C)nc1Nc(cc3)ccc3C)c4c(ccc(Cl)c4)o2,0.0
49701,CO-ADD:0293251,1.87,s1c(cccc2)c2c3c1cc(cc3)C#Cc4ccccc4,0.0
49702,CO-ADD:0295733,1.87,C(C(OC)=O)(C1c(cc2OC)cc(c2OC)Br)=C(C)N(C(C)=C1C(OC)=O)C,0.0
49703,CO-ADD:0295928,1.87,c1(OC(N)=C(C2c3c(OC)cc(cc3OC)OC)C#N)c2c(n[nH]1)CCC,0.0
49704,CO-ADD:0290738,1.87,S(=O)(=O)(c1ccc(cc1)CC)Oc2c(Cl)cc(c(cccn3)c23)Cl,0.0
49705,CO-ADD:0285166,1.87,c1(c2c(s3)CCCC2)c3N=C(CCCCC)N(N)C1=O,0.0
49706,CO-ADD:0287852,1.87,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c4ccccc4Br)\C1=O,0.0
49707,CO-ADD:0291263,1.87,n12c(S\C(=C/c(ccc3c(cccc4C(F)(F)F)c4)o3)\C1=O)nc(cc(Br)cn5)c25,0.0
49708,CO-ADD:0291279,1.87,c1(N(C)C2=O)c(n(c(Br)n1)C)C(N2Cc3ccccc3F)=O,0.0
49709,CO-ADD:0291287,1.87,N1(c2ccccc2)\C(=N/c3ccccc3)\S\C(=C/c(cc(OC)c(c4)O)c4Br)\C1=O,0.0
49710,CO-ADD:0291280,1.87,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cc(cccc3)c3nc2N4CCCCC4,0.0
49711,CO-ADD:0291296,1.87,C1(CC(=O)CC(CCCC)C1(C#N)C#N)(C#N)C#N,0.0
49712,CO-ADD:0287300,1.87,C1(C2c3cccc(OC)c3)=C(NCCN=C1c4ccccc4)C(N2c5ccccc5)=O,0.0
49713,CO-ADD:0299173,1.87,S(=O)(=O)(c1ccc(cc1)NC(=S)NC(=O)c2ccc(c(OC)c2)OC)Nc3nnc(CC)s3,0.0
49714,CO-ADD:0299679,1.87,N1(CC(O)=O)C(=O)c2c(cc(cc2)C)C1=O,0.0
49715,CO-ADD:0285421,1.87,N1(C(=O)C(CC2)C(C2(C)C1=O)(C)C)c3sc(c4n3)CCCC4,0.0
49716,CO-ADD:0299607,1.87,C(C(=O)c1ccc(cc1)C)(C2c3ccc(c4c3)OCO4)=C(O)C(N2CCC(O)=O)=O,0.0
49717,CO-ADD:0299744,1.86,c1(Sc(cc2)ncc2[N+](=O)[O-])nnc(COc3ccccc3)n1c4ccccc4,0.0
49718,CO-ADD:0286939,1.86,N12C(N=C(N)c(c3c(CCCC3)s4)c14)=C(C(c5ccc(cc5Cl)Cl)C6=C2CCCC6=O)C#N,0.0
49719,CO-ADD:0293420,1.86,C(/C(=S)C1(C)C)(\c(cccc2OCC)c2N1)=C(\SC=C3C(OCC)=O)/S3,0.0
49720,CO-ADD:0293205,1.86,c1(c(C)nc2n1cccn2)c3csc(Nc4ccc(cc4C)C)n3.Br,0.0
49721,CO-ADD:0294650,1.86,n1c2c([nH]c1SCC(O)=O)cc(C)cc2C,0.0
49722,CO-ADD:0293482,1.86,c1(c2c(sc1NC(CC)=O)CCCC2)C(=O)Nc3ccccc3,0.0
49723,CO-ADD:0294428,1.86,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)NCC4CCCO4)c1Cl,0.0
49724,CO-ADD:0293145,1.86,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c4ccccc4OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
49725,CO-ADD:0292562,1.86,c1(C2=O)c(sc3c1CCC(C3)C(C)(C)C)NC(=S)N2Cc4ccccc4,0.0
49726,CO-ADD:0294981,1.86,c12c(c3c(CCCCC3)s1)c(nc(SCC(c4ccccc4)=O)n2)N,0.0
49727,CO-ADD:0294124,1.86,c1(cc(ccc1N(CC2)CCO2)[N+](=O)[O-])C(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
49728,CO-ADD:0294871,1.86,N1(c2ccccc2OC)C(=O)NC(\C(=C/c(cc3OC)cc(c3O)OC)\C1=O)=O,0.0
49729,CO-ADD:0293105,1.86,C1(F)(C(F)(F)C(=O)Nc(c(OC)cc(c23)c4c(cccc4)o2)c3)OC(C(F)(F)C1(F)F)(F)F,0.0
49730,CO-ADD:0296096,1.86,c1(ncccc1C(NCCO)=O)Oc(cc2)ccc2Cl,0.0
49731,CO-ADD:0294273,1.86,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c3ccc(cc3)OC(=O)c4ccco4,0.0
49732,CO-ADD:0293491,1.86,S(c1ccccc1)(=O)(=O)N(c2cccc(c2)[N+](=O)[O-])CC(=O)N3CCc(c4C3)cccc4,0.0
49733,CO-ADD:0295167,1.86,c1(OC(N)=C(C2c3cccc(Oc4ccccc4)c3)C#N)c2c(n[nH]1)C,0.0
49734,CO-ADD:0292845,1.86,c12c(n(c(C#N)n1)C)C(N(C)C(=O)N2C)=O,0.0
49735,CO-ADD:0285285,1.86,N1(CNc(cccc2C(F)(F)F)c2)C(=S)OC(c3ccccc3Br)=N1,0.0
49736,CO-ADD:0285813,1.86,C(=O)(c(cc1)ccc1c2ccccc2)Nc(cccc3C#C)c3,0.0
49737,CO-ADD:0285838,1.86,[N+]([O-])(\C=C\c1cccc(cccc2)c12)=NOC,0.0
49738,CO-ADD:0285752,1.86,C1(C(=O)Nc2ccc(cc2Cl)Cl)C(C1(Cl)Cl)c3ccccc3,0.0
49739,CO-ADD:0285768,1.86,S(=O)(=O)(c1ccc(cc1)N=NN2CCCCCC2)Nc3nc(C)cc(C)n3,0.0
49740,CO-ADD:0285056,1.86,N1(C(C)C)C(C)CC(C(C)C1)([H])OC(c2ccccc2)=O.Cl,0.0
49741,CO-ADD:0291035,1.86,N1(c2ccc(c3c2)OCO3)C(=O)\C(\SC1=N)=C\c(ccc(c4OCC)OCc(cc5)ccc5F)c4,0.0
49742,CO-ADD:0287444,1.86,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc(cc2)c(OCC)cc2C(=S)N3CCC(CC3)C,0.0
49743,CO-ADD:0286179,1.86,n1c[nH]nc1SCC(=O)NC(C)(C)C,0.0
49744,CO-ADD:0299308,1.86,N1(C(c2ccccc2)C#N)C(c3ccccc3)CC(C)=N1,0.0
49745,CO-ADD:0291884,1.86,c1(C(OCC)=O)c(cc(cc2)OC(c3ccccc3)=O)c2n(C)c1C,0.0
49746,CO-ADD:0291267,1.86,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(ccc4c5ccc(cc5F)F)o4)\C1=O,0.0
49747,CO-ADD:0286796,1.86,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(Cl)cc(Cl)c5O,0.0
49748,CO-ADD:0287350,1.86,N(C(=O)CS1)(C2c3cccc(OC)c3)C1=NC(C)=C2C(OCC)=O,0.0
49749,CO-ADD:0299762,1.86,n(c(N)cc(n1)O)c1SCC(NCCc(ccc(c2OC)OC)c2)=O,0.0
49750,CO-ADD:0287214,1.86,c1(SCCCCC(O)=O)sc(c2n1)cccc2,0.0
49751,CO-ADD:0300044,1.86,C(C#N)(C(c1ccc(cc1)F)CC(N2)=O)=C2SCCCCCC,0.0
49752,CO-ADD:0294698,1.86,[N+](=O)([O-])c1c(O)ccc(c1)C2SCC(C(O)=O)N2,0.0
49753,CO-ADD:0293221,1.86,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Cl,0.0
49754,CO-ADD:0292754,1.86,C1=C(NCCCN(CC2)CCO2)C3(OC1=O)CCCCC3,0.0
49755,CO-ADD:0292971,1.86,n(Cc1ccc(cc1Cl)Cl)(c2c(c3\C=N\NC(=O)CC4(C)OCCO4)cccc2)c3,0.0
49756,CO-ADD:0293250,1.86,c(c1scc(c2ccccc2)n1)(c3N)c(cccc4)n4c3C(c5ccccc5)=O,0.0
49757,CO-ADD:0294609,1.86,n1c2c(oc1c3ccc(cc3)NC(=O)\C=C\c4ccco4)ccc(C(C)CC)c2,0.0
49758,CO-ADD:0292761,1.85,S(=O)(=O)(c1ccc(cc1)OC)N2CCSC2c3cccc(Cl)c3,0.0
49759,CO-ADD:0292722,1.85,n1(c2ccccc2)c(COc(cc3)ccc3C(C)(C)C)nnc1SCc(cc4)ccc4C(O)=O,0.0
49760,CO-ADD:0295582,1.85,C(F)(F)(F)c(cc1)ccc1C(NCCNC(=O)c(cc2)ccc2C(F)(F)F)=O,0.0
49761,CO-ADD:0293517,1.85,c1(C2c3ccc(c(OCC)c3)OC)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
49762,CO-ADD:0293640,1.85,c1(C(F)(F)F)c(F)c(F)c(c(F)c1F)NCCCCCNC(C)=O,0.0
49763,CO-ADD:0292799,1.85,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)N4CCCCC4)ccc(I)c3,0.0
49764,CO-ADD:0292237,1.85,C(=N/NC(CCCNc(cc1)ccc1Cl)=O)(/c2c(N3CC(O)=O)cccc2)\C3=O,0.0
49765,CO-ADD:0292439,1.85,N12C(S\C(=C/c(cc3)ccc3O)\C1=O)=NN=C(c4ccccc4)C2c5ccccc5,0.0
49766,CO-ADD:0285639,1.85,S(CCCCCCCC)(=O)(=O)CCBr,0.0
49767,CO-ADD:0290893,1.85,c1(C)c(C(C)O)oc(ccc2c3OC(=O)C=C2C)c13,0.0
49768,CO-ADD:0290917,1.85,n1(C2CCCCC2)nnnc1SCC(=O)N(CC3)CCO3,0.0
49769,CO-ADD:0291343,1.85,N1(Cn2cnc3c2C(=O)N(C)C(N3C)=O)C(=O)c4c(cccc4)C1=O,0.0
49770,CO-ADD:0288030,1.85,n1(cnn2)c2S\C(=C/c(cc3)ccc3OC)\C1=O,0.0
49771,CO-ADD:0287540,1.85,C(C#N)(C(c(ccs1)c1)C2=C(N3c4ccc(cc4F)Br)CC(C)(C)CC2=O)=C3N,0.0
49772,CO-ADD:0291550,1.85,c1(c(C)c(s2)C)c2ncnc1Nc(cccc3C(F)(F)F)c3,0.0
49773,CO-ADD:0292127,1.85,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)NC(=O)c4ccc5c(c(ccc6)CC5)c46,0.0
49774,CO-ADD:0292167,1.85,C(=O)(Nc1ccccc1)N2CCCCCC2,0.0
49775,CO-ADD:0291441,1.85,c1(NC(Cc2ccccc2)=O)n(c3ccccc3)ncc1C(=O)N4CCCCCC4,0.0
49776,CO-ADD:0291578,1.85,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(OC)=O)C2c3ccccc3Cl,0.0
49777,CO-ADD:0287257,1.85,C(=O)(NNC(=S)NC(=O)\C=C\c(cc1)ccc1Br)c2ccco2,0.0
49778,CO-ADD:0285595,1.85,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
49779,CO-ADD:0299763,1.85,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)N(C)c4ccccc4)cccc3,0.0
49780,CO-ADD:0291138,1.85,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)cc(c4OC(C)C(O)=O)OC)\C1=O,0.0
49781,CO-ADD:0292839,1.85,c1(SC(CC)C(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4OCC)c2)nnnn1c5ccccc5,0.0
49782,CO-ADD:0293151,1.85,N(C(=O)CS1)(C2c(cc3)ccc3C(C)C)C1=NC(C)=C2C(OCC)=O,0.0
49783,CO-ADD:0293621,1.85,C(C#N)(C1c2ccccc2Cl)=C(SCC(=O)Nc(cc3)ccc3Br)NC(CCCC4=O)=C14,0.0
49784,CO-ADD:0295612,1.85,C1(C(F)(F)F)(C(F)(F)F)C(C)=C(CC)N(C(N)=C1C#N)c2ccccc2F,0.0
49785,CO-ADD:0295170,1.85,c1(SCC(=O)c2ccc(c(O)c2)O)nc(C)cc(COC)c1C#N,0.0
49786,CO-ADD:0294455,1.85,C(=N/c(cc1)cc(c1NC(C)=O)Cl)(/c2c(N3)cccc2)\C3=O,0.0
49787,CO-ADD:0294708,1.85,C12=C(CCCC1=O)c3c(ccc4c3cccn4)NC2c5ccccc5F,0.0
49788,CO-ADD:0293755,1.85,N(C(CCl)=O)c(cc1)c(C)cc1N(CC)CC.Cl,0.0
49789,CO-ADD:0295964,1.85,N1(c2ccc(cc2)Cl)C(=O)CC(N3CCC(CC3)O)C1=O,0.0
49790,CO-ADD:0296149,1.85,c1(cn(nc1C(N)=O)C)[N+](=O)[O-],0.0
49791,CO-ADD:0295340,1.85,C(F)(F)(F)c1cccc(c1)CNC(=O)c2ccccc2OCC,0.0
49792,CO-ADD:0292980,1.85,C(C(OC)=O)(=C(C)N(C)C(=C1C(OC)=O)C)C1c2ccccc2C(F)(F)F,0.0
49793,CO-ADD:0293667,1.85,c1(NC(=O)C23CC4CC(CC(C4)C2)C3)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc5C(F)(F)F)c5,0.0
49794,CO-ADD:0295954,1.85,c12n(ncn1N)c(nn2)SCC(=O)Nc3ccccc3C,0.0
49795,CO-ADD:0295891,1.85,c1(C2c(cc3OC)cc(c3OC(C)=O)OC)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
49796,CO-ADD:0293606,1.85,S(=O)(=O)(N1CCC(CC1)c2ccccc2)c3c(ccc(c3)[N+](=O)[O-])N\N=C\c(ccc(c4[N+](=O)[O-])Sc5sc(c6n5)cccc6)c4,0.0
49797,CO-ADD:0284961,1.85,C(NC(C)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2n1)ccc(OCC)c2,0.0
49798,CO-ADD:0284954,1.85,S1(=O)(=O)c(cccc2)c2C(N(C)CC(COc3cccc(cccc4)c34)OC(=O)c5ccc(cc5)OC)=N1,0.0
49799,CO-ADD:0291198,1.85,C(=O)(C(c1ccccc1)C2c(cccc3[N+](=O)[O-])c3)C(c4ccccc4)C(N2)c(cccc5[N+](=O)[O-])c5,0.0
49800,CO-ADD:0291014,1.85,N12C(NC(=O)c(c3c(CCCCC3)s4)c14)=C(C(c5ccc(cc5)F)C6=C2CCCC6=O)C#N,0.0
49801,CO-ADD:0291903,1.85,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(NCCN(CC2)CCO2)=O)c1,0.0
49802,CO-ADD:0291337,1.85,C1(CC(C)Nc(cccc2)c12)N(c3ccccc3)C(=O)c4ccc(cc4)OC,0.0
49803,CO-ADD:0291353,1.85,n(C(C)C(=C1C)C)(c2CC(C)C)c1cc3c2c(C)c(n3)C(OCC)=O,0.0
49804,CO-ADD:0285696,1.85,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(ccc3c(cccc4[N+](=O)[O-])c4)o3)\C1=O)C,0.0
49805,CO-ADD:0287620,1.85,c12c(c(c3n1C(CC)=O)cccc3)Nc4c(cccc4)N2,0.0
49806,CO-ADD:0287230,1.85,[N+](=O)([O-])c(cc1)ccc1N(CC2C)CC(O2)C,0.0
49807,CO-ADD:0299557,1.84,c1(cc(C#N)c(cc1Nc(cc2)ccc2Oc(cc3)ccc3Cl)C#N)[N+](=O)[O-],0.0
49808,CO-ADD:0299613,1.84,N1(c2ccc(cc2)OC(F)(F)F)C(=O)c3c(cccn3)C1=O,0.0
49809,CO-ADD:0299651,1.84,N(CC1)(CCN1Cc(cccc2C(N)=O)c2)c3ccccc3C.Cl.Cl,0.0
49810,CO-ADD:0285069,1.84,C1(c2ccccc2)=NC3(Cc(cc(OC)c(OC)c4)c14)CCCC3,0.0
49811,CO-ADD:0295046,1.84,c12c(ncnc1N(C)C)sc(CC)c2c3ccccc3,0.0
49812,CO-ADD:0292941,1.84,c1(ccccc1F)COc(cc2)ccc2C=O,0.0
49813,CO-ADD:0294733,1.84,C(C(c1ccccc1)=O)(C2c3ccc(c(OC)c3)O)=C(O)C(N2CCN(C)C)=O,0.0
49814,CO-ADD:0293697,1.84,C(=N/NC(=O)c1ccc(cc1Cl)Cl)(/c2c(N3CC(O)=O)cccc2)\C3=O,0.0
49815,CO-ADD:0293455,1.84,N1(C(C)(C)CC(c(cc(C)cc2)c12)(C)c3ccccc3)C(=O)Nc4cccc(Cl)c4,0.0
49816,CO-ADD:0293418,1.84,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(coc4c(cccc5C(F)(F)F)c5)c4)\C1=O,0.0
49817,CO-ADD:0293521,1.84,c(CNC(=O)c1ccc(Br)o1)(cn(n2)C)c2C,0.0
49818,CO-ADD:0292948,1.84,C12(c3c(cccc3)C(=NN1c4ccccc4)c5cccc(C)c5)SC(=NN2c6ccccc6)c7ccccc7,0.0
49819,CO-ADD:0295837,1.84,c1(NC(CSc(nnc(c23)c4c(cccc4)[nH]2)n3)=O)sc(c(CCN5C)c1C(OCC)=O)C5,0.0
49820,CO-ADD:0295900,1.84,c1(OC(N)=C(C2c3cccc(O)c3)C#N)c2c(n[nH]1)CCC,0.0
49821,CO-ADD:0294012,1.84,n1(Cc2ccccc2)c(COc3ccccc3)nnc1S,0.0
49822,CO-ADD:0295331,1.84,C(=O)(Oc1ccccc1C=O)c2c(cccc2F)F,0.0
49823,CO-ADD:0293364,1.84,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5ccccc5[N+](=O)[O-])cccc4,0.0
49824,CO-ADD:0292609,1.84,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(c(OC)ccc3[N+](=O)[O-])c3,0.0
49825,CO-ADD:0293934,1.84,c12c(Cc(cccc3)c13)c(c4c(cccc4)n2)C(O)=O,0.0
49826,CO-ADD:0285626,1.84,c1(SCC(=O)NC2CC2)sc3c(ccc(c3)NC(=O)\C=C\c4ccccc4)n1,0.0
49827,CO-ADD:0285842,1.84,C(/c1c2cc(C)c(C)c1)(\C(=S)C(N2C(=O)C=C)(C)C)=C(\S3)/SC(=C3C(OC)=O)C(OC)=O,0.0
49828,CO-ADD:0292016,1.84,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(cc(n3c4ccccc4)C)c3C)\C1=O)=O,0.0
49829,CO-ADD:0290685,1.84,C(CCCCCCSCCCC)(O)=O,0.0
49830,CO-ADD:0288040,1.84,c12c(ccc3c1OC(=O)C=C3C)O\C(=N/Nc4ccccc4)\C2=O,0.0
49831,CO-ADD:0287562,1.84,c1(NC(=O)c2cccc(Cl)c2)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
49832,CO-ADD:0290921,1.84,C12(c3c(N(Cc4ccccc4F)C1=O)cccc3)Nc5c(C(=O)N2CCc6ccccc6)c7c(CCCC7)s5,0.0
49833,CO-ADD:0291698,1.84,c12c(ncnc1SCCOc3ccccc3OC)[nH]cn2,0.0
49834,CO-ADD:0291644,1.84,o(c(c1ccccc1)nn2)c2c(cc3)ccc3N(C)C,0.0
49835,CO-ADD:0291676,1.84,c12c(sc3c1CCCC3=O)N=C(CCCCC4)N4C2=O,0.0
49836,CO-ADD:0288914,1.84,n12c(cc(C)n1)c3c(Oc4c2ccc(c4)[N+](=O)[O-])ccc(Cl)c3,0.0
49837,CO-ADD:0286091,1.84,C(=O)(Oc(cc1)c(OC)cc1C(=S)N2CCC(CC2)C)c3cccc(cccc4)c34,0.0
49838,CO-ADD:0286489,1.84,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(CC1=O)SC[C@]([H])(N)C(OCC)=O.Cl,0.0
49839,CO-ADD:0299614,1.84,N1(c2ccc(cc2)OC(F)(F)F)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(cc4)ccc4C(O)=O,0.0
49840,CO-ADD:0290839,1.84,S(=O)(=O)(c1ccc(c(Cl)c1Cl)Cl)n2cnc(C)c2,0.0
49841,CO-ADD:0285381,1.84,n1(c2ccccc2)nnnc1SCCCC(=O)c(ccc3c4Cc(c35)cccc5)c4,0.0
49842,CO-ADD:0289233,1.84,C(CC(C#N)(C)C1)CN1.Cl,0.0
49843,CO-ADD:0285783,1.84,c1(C(=O)Nc(cc2)ccc2OC)c(C)c(sc1NC(=O)c3ccco3)c4ccccc4,0.0
49844,CO-ADD:0295525,1.84,S1(=O)c(cc(cc2N\N=C\c3ccccc3)[N+](=O)[O-])c2C(=O)N1C,0.0
49845,CO-ADD:0295883,1.84,c(OC(C(F)(F)F)C(F)(F)F)(nc(NCCCCC)nc1OC(C(F)(F)F)C(F)(F)F)n1,0.0
49846,CO-ADD:0292701,1.84,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(ccc4c(ccc(c5C6=O)C(N6)=O)c5)o4)\C1=O,0.0
49847,CO-ADD:0294648,1.84,n(n1)n[nH]c1c(ccc(c2N)F)c2,0.0
49848,CO-ADD:0292204,1.84,N1(C2c3cccs3)C(S\C(=C\c(ccc4c5ccc(cc5Br)[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
49849,CO-ADD:0292771,1.84,c1(C(=O)C2CC2)oc(c3c1NC(CSc4ccccc4)=O)cccc3,0.0
49850,CO-ADD:0294104,1.84,C(c1c(cccc1)NC2(C)C)(\C(=N\c(cc3)ccc3S(=O)(=O)NC(C)=O)\SS4)=C24,0.0
49851,CO-ADD:0294588,1.84,[N+](=O)([O-])c(ccc(c1N2CCCCC2)Cl)c1,0.0
49852,CO-ADD:0295625,1.84,N1(CCSC1=O)c2ccccc2OC,0.0
49853,CO-ADD:0293356,1.84,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5c(Cl)ccc(c5)[N+](=O)[O-])cccc4,0.0
49854,CO-ADD:0292285,1.84,C(=O)(Nc(c1)c(ccc1C(F)(F)F)Oc2ccccc2c3ccccc3)c4ccccc4O,0.0
49855,CO-ADD:0293926,1.84,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)Nc3cccc(OC)c3,0.0
49856,CO-ADD:0296086,1.84,c(nn(c12)c(C)cc(C)n1)(S(=O)(=O)Nc3ccccc3C)n2,0.0
49857,CO-ADD:0295661,1.84,C(C(c1ccccc1)=O)(C2c3ccc(c4c3)OCO4)=C(O)C(N2CCCC(O)=O)=O,0.0
49858,CO-ADD:0291352,1.84,C(c1ccccc1)(CC2c3ccccc3Cl)(OC(c4ccccc4)=O)NC(=C2C#N)SCc5ccccc5,0.0
49859,CO-ADD:0291368,1.84,S(=O)(=O)(N(CC1)CCN1c2ccc(cc2)F)c3cc(C)c(cc3Cl)Cl,0.0
49860,CO-ADD:0286205,1.84,c1(C2=O)c(c(n[nH]1)c3ccccc3)C(N2c(cccc4C(F)(F)F)c4)c5cccc(F)c5,0.0
49861,CO-ADD:0288032,1.84,n1(cnn2)c2S\C(=C/c3ccco3)\C1=O,0.0
49862,CO-ADD:0286215,1.84,n(Cc1ccccc1F)(c2c(c3\C=C(/SC(N4)=S)\C4=O)cccc2)c3,0.0
49863,CO-ADD:0291965,1.83,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(CCC)=O)(C)C)=C1c4c3cccc4,0.0
49864,CO-ADD:0290423,1.83,c1(NC(=O)c2ccc(cc2)C)n(c3ccccc3)ncc1C(=O)Nc4ccccn4,0.0
49865,CO-ADD:0290764,1.83,C12(Nc(cccc3)c3C(=O)N1c4ccccc4OC)c5c(N(Cc6c(cccc6Cl)Cl)C2=O)cccc5,0.0
49866,CO-ADD:0291700,1.83,n1c2c(oc1c(ccc(c3NC(=O)c4cccc(I)c4)C)c3)cccn2,0.0
49867,CO-ADD:0286146,1.83,c1(N(CC2)CCN2C(c3ccccc3)=O)scc(c4ccc(cc4)Cl)n1,0.0
49868,CO-ADD:0286908,1.83,c12c(nnc(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n1)c4c(cccc4)n2C,0.0
49869,CO-ADD:0286745,1.83,c1(cc(c2s1)CCCC2)C(=O)N(CC3)CCN3c4ccccc4,0.0
49870,CO-ADD:0287795,1.83,c12c(c(nn1c3ccc(cc3)C)C)C(C(C#N)=C(N)O2)c4ccc(c(OC)c4)OC,0.0
49871,CO-ADD:0285603,1.83,c(C#N)(c(\C(\C#N)=C\c(ccc(c1OCC)OCc(cc2)ccc2F)c1)nn3c4ccccc4)c3N,0.0
49872,CO-ADD:0285760,1.83,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC#N)C2c3ccccc3Cl,0.0
49873,CO-ADD:0299661,1.83,C(=O)(CN(CC1)CCN1C)Nc(cc2)ccc2C(C)=O,0.0
49874,CO-ADD:0288673,1.83,C(=O)(OC(C)(C)C)N(CCC1c(n(Cc2ccco2)c(c3)C)n3)CC1,0.0
49875,CO-ADD:0286356,1.83,C(C#N)(C1=O)=C(c2ccccc2)N=C(SCC(=O)Nc3ccccn3)N1,0.0
49876,CO-ADD:0295243,1.83,c1(cn(nc1C(=O)NC(CC(CC2C3)CC34)(C4)C2)C)[N+](=O)[O-],0.0
49877,CO-ADD:0293527,1.83,C(C(=O)c1ccc(cc1)C)(C2c3ccc(c4c3)OCO4)=C(O)C(N2CCCCCC(O)=O)=O,0.0
49878,CO-ADD:0294703,1.83,n1c2c(cccc2)c(cc1Nc(cc3)ccc3CC)C,0.0
49879,CO-ADD:0294054,1.83,N1(C(C(C)C)C(O2)=O)C2(C)CC(C)(C)NC1(Br)SCC=C,0.0
49880,CO-ADD:0294091,1.83,C(C(C)=O)(C1c2cc(OC)ccc2OC)=C(O)C(N1c3ccc(cc3)F)=O,0.0
49881,CO-ADD:0295565,1.83,c1(cn[nH]c1C(=O)Nc(cc2)ccc2OC)[N+](=O)[O-],0.0
49882,CO-ADD:0294807,1.83,n1(c2ccc(cc2)OC)c(ccc(c3)Nc(c(cccc4)c4c(n5)c6ccccc6)n5)c3nc1,0.0
49883,CO-ADD:0294784,1.83,c1(c[nH]nc1C(=O)Nc2ccccc2OC)[N+](=O)[O-],0.0
49884,CO-ADD:0295174,1.83,N1(CC(c2ccccc2)=O)c3c(N(C)C1=N)cccc3.Br,0.0
49885,CO-ADD:0293626,1.83,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCc2cccc(cccc3)c23)C1c4ccc(cc4)Cl,0.0
49886,CO-ADD:0295794,1.83,c1(C#N)c(C)cc(nc1SCC(=O)Nc2ccccc2F)C,0.0
49887,CO-ADD:0293081,1.83,C1(CC(=O)Nc(ccc(C)c2)c12)c3ccccc3C(F)(F)F,0.0
49888,CO-ADD:0285149,1.83,C(/C(C)=NN1c2cccc(Cl)c2)(=C/c(cn(n3)Cc(ccc(c4Cl)Cl)c4)c3c5ccccc5)\C1=O,0.0
49889,CO-ADD:0286993,1.83,c1(NC(CCC)=O)c(Cl)nc(c(Cl)c1C)C,0.0
49890,CO-ADD:0290942,1.83,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C/c(ccc5c6ccc(c(Cl)c6)C)o5)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
49891,CO-ADD:0291250,1.83,C(/NC(=O)c(ccs1)c1)(=C\c2ccco2)\C(=O)Nc3cccc(F)c3,0.0
49892,CO-ADD:0291422,1.83,C1(=CC2C(OC1=O)C=CC=C2)C(=O)N3CCSC3c4ccc5c(c(ccc6)CC5)c46,0.0
49893,CO-ADD:0286384,1.83,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccccc5C(F)(F)F)cccc4,0.0
49894,CO-ADD:0286288,1.83,C1(=C(C)N(N(c2ccccc2)C1=O)C)N3C(=O)CSC34c5c(NC4=O)cccc5,0.0
49895,CO-ADD:0286728,1.83,C(/S\C(\N1Cc2ccccc2)=C(/C(C)=NN3c4ccccc4Cl)\C3=O)(\C1=O)=C(/Sc(c56)ccc(OC)c5)\N6C,0.0
49896,CO-ADD:0286304,1.83,N(CC1)(CCN1CCC(=O)Nc(cc2)ccc2C)c3ccc(cc3)Cl,0.0
49897,CO-ADD:0299979,1.83,N1(c2ccccc2)C(=O)c3c(N=C1SCc4ccccc4F)cccc3,0.0
49898,CO-ADD:0290653,1.83,C1(C2c3ccc(cc3)F)=C(NCCN=C1c4ccccc4)C(N2c(cccc5C(F)(F)F)c5)=O,0.0
49899,CO-ADD:0290793,1.83,C(C(OCC)=O)(C(F)(F)F)(Nc1sc(c2c1C(OC)=O)CCCC2)NS(c3ccccc3)(=O)=O,0.0
49900,CO-ADD:0285685,1.83,c1(cnc(NC(CSc2nc(C)cc(C)n2)=O)s1)[N+](=O)[O-],0.0
49901,CO-ADD:0294382,1.83,c1(c2c(sc1NC(C)=O)CCCCC2)C(=O)Nc3ccccc3C,0.0
49902,CO-ADD:0294326,1.83,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(ccc4c5c(cccc6)c6n4CC)c5)cc(c(C)c3)C,0.0
49903,CO-ADD:0295790,1.82,n(c1c(CCCCC1)cc2C#N)c2SCC(=O)Nc3sccn3,0.0
49904,CO-ADD:0293317,1.82,c1(O)c(cc(cc1C(C)(C)C)SC(C)(C)Sc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)C(C)(C)C,0.0
49905,CO-ADD:0293301,1.82,c1(c(C)nc(cc(C)cc2)n12)c3csc(Nc(cc4)ccc4C(O)=O)n3.Br,0.0
49906,CO-ADD:0294016,1.82,[N+](=O)([O-])c1ccc(cc1)CC(=O)NN\C=C(\C#N)/C(OCC)=O,0.0
49907,CO-ADD:0295412,1.82,c1(OC(N)=C(C2c3cc(Br)ccc3F)C#N)c2c(n[nH]1)CCC,0.0
49908,CO-ADD:0295226,1.82,C12(C)C(CC(SC(C)=O)C(C1CC3)C(C34C)CCC45CCC(=O)O5)=CC(=O)CC2,0.0
49909,CO-ADD:0294953,1.82,c1(NC(CSc2c(cc(c3n2)CCCC3)C#N)=O)nnc(CC)s1,0.0
49910,CO-ADD:0295001,1.82,C1(=N)SC(=CN1CC(O)=O)Cc(cc2)ccc2Cl,0.0
49911,CO-ADD:0287762,1.82,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cccc3C(F)(F)F)c3)C2c(cc4)ccn4,0.0
49912,CO-ADD:0291440,1.82,c1(c2c(sc1NC(=O)c(cc3)ccc3[N+](=O)[O-])CCC2)C(=O)Nc4ccccc4,0.0
49913,CO-ADD:0285022,1.82,c1(C2c3ccc(cc3)Cl)c(CCN2C(=O)c(cc4)ccc4[N+](=O)[O-])c5c(cccc5)[nH]1,0.0
49914,CO-ADD:0285231,1.82,C(/c1c(N2Cc3ccccc3Cl)cccc1)(=N/N(C)C(NC)=S)\C2=O,0.0
49915,CO-ADD:0285157,1.82,C1(SCC(=O)Nc2ccccc2)=NC(c3ccccc3)CC(=O)N1,0.0
49916,CO-ADD:0291618,1.82,c12c(C(NC(=O)N1C)=O)n(c(Cl)n2)CC(N)=O,0.0
49917,CO-ADD:0291802,1.82,C12(SCC(=O)N1c3ccc(cc3)C)c4c(NC2=O)cccc4,0.0
49918,CO-ADD:0290403,1.82,N1(Cc2ccccc2)\C(=N\c(cc3)ccc3F)\SC(C(O)=O)CC1=O,0.0
49919,CO-ADD:0291298,1.82,N1(c(ccc(c2s3)nc3SCc4c(cccc4Cl)Cl)c2)C(=O)C(C5C1=O)CCCC5,0.0
49920,CO-ADD:0291314,1.82,N(=N1)N(c2ccccc2)C3C1C(CC34)C(C45)CC=C5,0.0
49921,CO-ADD:0299511,1.82,C1(=O)Oc2c(C(C)=C1CCCC)ccc(OCC(=O)c3ccc(cc3)Cl)c2,0.0
49922,CO-ADD:0291276,1.82,C(=C/C(c1ccccc1)=O)(/N2)\C(c3ccccc3)=Nc4c2cccc4,0.0
49923,CO-ADD:0287159,1.82,n12c(nc(cc1C(F)(F)F)c3cccs3)cc(C(=O)NNC(=O)c(ccc(c4[N+](=O)[O-])C)c4)n2,0.0
49924,CO-ADD:0291557,1.82,[N+](=O)([O-])c(cccc1c2ccc(o2)\C=C(/C(NCCCC)=O)\NC(c3ccccc3)=O)c1,0.0
49925,CO-ADD:0291607,1.82,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)Nc(cc(Sc(cc4)ccc4Br)cc5[N+](=O)[O-])c5,0.0
49926,CO-ADD:0287509,1.82,N(C(=O)CSc(nnc1NC(=O)CN2CCCCC2)s1)(c3c4cccc3)c5c(S4)cccc5,0.0
49927,CO-ADD:0286410,1.82,c1(c2ccccc2)nc(oc1c3ccccc3)SCCSc(oc(c4c5ccccc5)c6ccccc6)n4,0.0
49928,CO-ADD:0291288,1.82,c12c(n(c(Cl)n1)CCCCCCCC)C(N(C)C(=O)N2C)=O,0.0
49929,CO-ADD:0286622,1.82,c1(C2c(cc3)ccc3[N+](=O)[O-])c(CCN2C(=O)c4ccc(c(F)c4)F)c5c(cccc5)[nH]1,0.0
49930,CO-ADD:0287017,1.82,n1c(Cl)cc(c(N)c1Cl)C,0.0
49931,CO-ADD:0299953,1.82,N12C(SC(CCCC3)C13O)=C(C4(CCCCC4)C(C#N)C2=O)C#N,0.0
49932,CO-ADD:0294068,1.82,C(C(C)=O)(C1c2ccccc2OC)=C(O)C(N1CCCCCC(O)=O)=O,0.0
49933,CO-ADD:0294795,1.82,n1(c2ccccc2OC)c(ccc(c3)NCc4ccccc4OC)c3nc1,0.0
49934,CO-ADD:0294761,1.82,C(C(c1ccccc1)=O)(C2c3cccc(F)c3)=C(O)C(N2CCN(C)C)=O,0.0
49935,CO-ADD:0294375,1.82,n1c2c(oc1c(cccc3NC(=O)c4cc(c5o4)cccc5)c3)cc(C)c(C)c2,0.0
49936,CO-ADD:0292250,1.82,N(CO)(C1=O)C(C2N1C)N(CO)C(N2CO)=O,0.0
49937,CO-ADD:0295010,1.82,[n+]1([O-])onc(C)c1COc2ccc(cc2OC)\C=C(\c(cc3)ccc3[N+](=O)[O-])/C#N,0.0
49938,CO-ADD:0296028,1.82,C(=O)(C(O)(c1ccccc1)c2ccccc2)NN(c3cccc(Cl)c3)C(=O)c4ccco4,0.0
49939,CO-ADD:0294501,1.82,C(C(c1ccccc1)=O)(C2c(cc3)ccc3N(C)C)=C(O)C(N2CCN(C)C)=O,0.0
49940,CO-ADD:0295038,1.82,P(c1ccccc1)(=O)(Cc2ccccc2)N(CC3CCCO3)Cc4cccs4,0.0
49941,CO-ADD:0295591,1.81,c1(NC(CSC2=NCCS2)=O)sc(c3c1C(OCC)=O)CCC3,0.0
49942,CO-ADD:0294055,1.81,[N+](=O)([O-])c(ccc(c1C#N)Sc2ccc(cc2C#N)[N+](=O)[O-])c1,0.0
49943,CO-ADD:0292933,1.81,c1(c[nH]nc1N)[N+](=O)[O-],0.0
49944,CO-ADD:0292529,1.81,N(Cc1ccccc1)(c2c3cccc2)C(=O)CC(N3C=O)C,0.0
49945,CO-ADD:0291539,1.81,C(/c(cc(C)cc1)c12)(\C(=S)C(N2C(c3ccccc3)=O)(C)C)=C(/SC(=C4C(OC)=O)C(OC)=O)\S4,0.0
49946,CO-ADD:0292111,1.81,n1(c2ccc(c(C)c2)C)nc(c3n1)ccc(NC(COc4ccc(cc4C)C)=O)c3,0.0
49947,CO-ADD:0291447,1.81,c1(C(=O)Nc(cc2)ccc2Br)c3c(sc1NC(CC)=O)CC(C)CC3,0.0
49948,CO-ADD:0291489,1.81,n1(n2)c(cc2C(=O)N3CCCC3)nc4c(CCc(cccc5)c45)c1C(F)(F)F,0.0
49949,CO-ADD:0299476,1.81,n1(c2ccccc2C(C)C)c(c3ccc(cc3)Cl)cc(c4ccc(cc4)Cl)n1,0.0
49950,CO-ADD:0299304,1.81,C(=S)(Nc(cc1)ccc1OC)Nc2ccccn2,0.0
49951,CO-ADD:0299313,1.81,N1(C(c2ccccc2)CC(C)=N1)C(=O)Cc3ccccc3,0.0
49952,CO-ADD:0299977,1.81,c1(SCC(=O)Nc(cc2)ccc2C(OCCCC)=O)n(C)c3c(cccc3)n1,0.0
49953,CO-ADD:0285321,1.81,S(=O)(=O)(c1ccc(cc1)Cl)NC2(OC)C(C)=CC(C=C2C)=O,0.0
49954,CO-ADD:0286763,1.81,C1(=Cc2c(OC1=O)cccc2)C(=O)NC(=S)NNC(=O)c3ccc(cc3)Br,0.0
49955,CO-ADD:0295184,1.81,c1(N)n(CC)c2c(cccc2)n1,0.0
49956,CO-ADD:0294067,1.81,C(C(C)=O)(C1c2ccc(cc2)Cl)=C(O)C(N1CCC(O)=O)=O,0.0
49957,CO-ADD:0293023,1.81,c(c(F)c1F)(c(F)c(c1N2CC(C)CC(C)C2)F)C3Nc(ccc(c45)cccc4)c5C(CC(C)(C)CC6=O)=C36,0.0
49958,CO-ADD:0293071,1.81,N1(CC)\C(\CN(CC)C1=O)=N\S(=O)(=O)\N=C(/CN(C2=O)CC)\N2CC,0.0
49959,CO-ADD:0292299,1.81,c(C(c1ccccc1)=O)(c2c(n3c4cccc(C)c4)cccc2)c3,0.0
49960,CO-ADD:0295778,1.81,C(=O)(Nc1cc(OCO2)c2cc1C(C)=O)c3c(cccc3OC)OC,0.0
49961,CO-ADD:0293246,1.81,c12c(cc(cc1C(c3ccccc3)=O)Cl)C4C(C(c5ccc(cc5)Br)N2)CC=C4,0.0
49962,CO-ADD:0292395,1.81,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(ccc3c4ccc(cc4)F)o3)\N2c5ccccc5,0.0
49963,CO-ADD:0294296,1.81,n1c2c([nH]c1CNc(c(cccc3)c3c(n4)c5ccc(cc5)OC)n4)cccc2,0.0
49964,CO-ADD:0292251,1.81,c1(O)c(Br)cc(c(cccn2)c12)CN(C)C3CCCCC3,0.0
49965,CO-ADD:0292954,1.81,C(C(=O)c1ccc(cc1)Cl)(C2c(cc3)ccc3N(C)C)=C(O)C(N2c4ccc(cc4)OC)=O,0.0
49966,CO-ADD:0295512,1.81,C12(CC3CC(CC(C3)C1)C2)C4CCC(C4=O)C56CC(CC(C7)C5)CC7C6,0.0
49967,CO-ADD:0293240,1.81,c12c(cc(cc1C(c3ccccc3)=O)Cl)C4C(C(c5cccc(cccc6)c56)N2)CC=C4,0.0
49968,CO-ADD:0294040,1.81,N1(c(cc2)ccc2N3C(=O)C(CC3=O)Sc4nc(c5cccs5)cc(C(F)(F)F)c4C#N)C(=O)C(CC1=O)Sc6nc(c7cccs7)cc(C(F)(F)F)c6C#N,0.0
49969,CO-ADD:0295601,1.81,C(C(C)=O)(C1c2ccc(cc2)OC)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
49970,CO-ADD:0294485,1.81,N1=C(\C=C\c(cc2)ccc2OC)Oc(c3C1=O)cccc3,0.0
49971,CO-ADD:0285632,1.81,C(C#N)(C(c1cccs1)C2=C(N3c4cccc(Br)c4)CCCC2=O)=C3N,0.0
49972,CO-ADD:0285289,1.81,c1(cc(CN(CC2)CCN2c3ccccc3OC)c(c4c1O)cccn4)[N+](=O)[O-],0.0
49973,CO-ADD:0290476,1.81,C(/S(CCC)(=O)=O)(\S(CCC)(=O)=O)=C(/Nc1cccc(OCCCC)c1)\Nc2cccc(OCCCC)c2,0.0
49974,CO-ADD:0291966,1.81,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(CCC)=O)(C)C)=C1c(cc(C)cc4C)c34,0.0
49975,CO-ADD:0299257,1.81,N1(c2cccc(OCC)c2)C(=O)C(CC1=O)NCCCCCCCC,0.0
49976,CO-ADD:0299305,1.81,N(c1c(cccn1)C)C(=S)Nc(ccc(c2Cl)F)c2,0.0
49977,CO-ADD:0299505,1.81,c1(Cl)c(Cl)ccc(c1)NNC(C)=O,0.0
49978,CO-ADD:0299662,1.81,c1(coc(cccc2)c12)NC(c3ccccc3)=O,0.0
49979,CO-ADD:0299193,1.81,N1(c2ccc(c(Cl)c2)C)C(=O)CC(N(CC3)CCN3Cc(cc4)ccc4Cl)C1=O,0.0
49980,CO-ADD:0299674,1.81,C(C(c1ccccc1)N(C2=O)c3ccccc3)(S(=O)(=O)c4ccc(cc4)C)=C2OC(c5ccccc5)c6ccccc6,0.0
49981,CO-ADD:0299797,1.81,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c3cccc(cccc4)c34)\C1=O)=O,0.0
49982,CO-ADD:0286079,1.8,C12(O)C(=NNC(=S)N1)c(c3N2C(CC)=O)cc(cc3)C,0.0
49983,CO-ADD:0299759,1.8,S(=O)(=O)([O-])c1ccc(c(cccc2)c12)OC.[Na+],0.0
49984,CO-ADD:0299567,1.8,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1Br)C(=O)Nc2ccccc2C,0.0
49985,CO-ADD:0286522,1.8,c1(c(C)cc(cc1C)C)C(=O)c(cc2)ccc2C(=O)Nc3ccc(c4n3)cccc4,0.0
49986,CO-ADD:0286930,1.8,c1([N+](=O)[O-])cc(n(C\C(\C)=N\NC(=O)c2cc(n(C)n2)Br)n1)C,0.0
49987,CO-ADD:0286795,1.8,c1(NC(=O)CC2c3cc(OC)c(cc3OC)OC)c2ccc(cccc4)c14,0.0
49988,CO-ADD:0286611,1.8,C1(C(=O)NNC(COc2ccc(cc2Cl)Cl)=O)=Cc3c(OC1=O)cccc3,0.0
49989,CO-ADD:0286619,1.8,C1(C(=O)NNC(=O)c2ccccc2OCC)=Cc3c(OC1=O)ccc(Br)c3,0.0
49990,CO-ADD:0294396,1.8,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc(cc4OC)cc(c4OC)OC)c1Cl,0.0
49991,CO-ADD:0293802,1.8,N1(c(ccc(c2s3)nc3SCC(=O)Nc4cccc(C)c4C)c2)C(=O)C5C(C6CC5C=C6)C1=O,0.0
49992,CO-ADD:0293715,1.8,c12c(ccc3c1OC(=O)C=C3C)O\C(=C/c(ccc(c4Br)OC)c4)\C2=O,0.0
49993,CO-ADD:0292497,1.8,N1(c2ccccc2F)C(=O)\C(=C\c3cccn3c4ccccc4F)\C(NC1=S)=O,0.0
49994,CO-ADD:0292605,1.8,S(=O)(=O)(N1CCCCCC1)c(ccc(c2[N+](=O)[O-])Cl)c2,0.0
49995,CO-ADD:0292985,1.8,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(ccs4)c4,0.0
49996,CO-ADD:0295857,1.8,c1(nnc(ccc(Sc2nc(C)cc(C)n2)n3)n13)C(F)(F)C(F)(F)C(F)(F)F,0.0
49997,CO-ADD:0293316,1.8,c1(c[nH]nc1\C(\C=O)=C\N(C)C)[N+](=O)[O-],0.0
49998,CO-ADD:0294466,1.8,N1(c2ccc(cc2)I)C(=O)C(CC1=O)S\C(=N/CC)\Nc(cc3)ccc3OC(F)(Cl)F,0.0
49999,CO-ADD:0292292,1.8,C1(O)(CC(=O)c2ccc(cc2)Br)c3c(NC1=O)ccc(CC)c3,0.0
50000,CO-ADD:0291998,1.8,C(=O)(NCc(cc1)ccn1)c2ccccc2C,0.0
50001,CO-ADD:0286747,1.8,[N+](=O)([O-])c(c(C)ccc1C(=O)N(CC2)CCN2c3ccc(cc3)F)c1,0.0
50002,CO-ADD:0286213,1.8,C(/S\C(\C1=O)=C/c(c(cccc2)c2n3Cc4ccccc4F)c3)(=N\C(C)=O)\N1,0.0
50003,CO-ADD:0287771,1.8,C(NCc1ccccc1)(=S)NC(C(O)=O)CC(N)=O,0.0
50004,CO-ADD:0290688,1.8,c(cncc1C(=O)N(CC)CC)(C(=O)N(CC)CC)c1c2ccccc2,0.0
50005,CO-ADD:0290512,1.8,C1(Cc(cc2)ccc2Cl)(c3ccc(cc3)Cl)C(=O)c4c(cccc4)C1=O,0.0
50006,CO-ADD:0287160,1.8,S(C(c1ccc(cc1)Cl)Nc2ccc(cn2)Cl)C3=NCCS3,0.0
50007,CO-ADD:0287520,1.8,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2cc(OC)ccc2OC,0.0
50008,CO-ADD:0285436,1.8,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CN3CCC(CC3)C,0.0
50009,CO-ADD:0299195,1.8,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1cccc(F)c1)Nc2sc(c3c2C#N)CCCC3,0.0
50010,CO-ADD:0290584,1.8,C(/C(=O)C(C)(C)C)=C(/N)\c(cccn1)c1,0.0
50011,CO-ADD:0285733,1.8,C1(CC(=O)OC(c2ccccc2)C(NC=O)C(OCC)=O)c3c(c(cccc4)c14)cccc3,0.0
50012,CO-ADD:0285127,1.8,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Nc4cccc(C)c4,0.0
50013,CO-ADD:0286719,1.8,c12c(c3c(cccc3)OC1=O)nc(c4cccc(OC)c4)nc2NC(C)=O,0.0
50014,CO-ADD:0286721,1.8,C1(SCC(=O)N1c2cccc(Cl)c2)(c3c(N4CN(CC5)CCN5c(cc6)ccc6[N+](=O)[O-])cccc3)C4=O,0.0
50015,CO-ADD:0286313,1.8,C(=O)(N1CCCCCC1)c2ccccc2NC(COc3ccccc3)=O,0.0
50016,CO-ADD:0287503,1.8,C1(c2c3cccc2)=C(SN(c4ccc(c(Cl)c4)C)C1=S)C(N3C(=O)CN5C(=O)c(c6C5=O)cccc6)(C)C,0.0
50017,CO-ADD:0285079,1.8,N12C(NC(=O)c(c3c(CCCC3)s4)c14)=C(C(c5ccccc5)C6=C2CC(C)(C)CC6=O)C#N,0.0
50018,CO-ADD:0285375,1.8,C1(C(OCC)=O)=C(C)NC(SCC(O)=O)=NC1c2ccccc2,0.0
50019,CO-ADD:0295840,1.8,c1(C(=O)Nc2ccccc2OCC)c3c(sc1NC(=O)c4cccc(F)c4)CC(C)CC3,0.0
50020,CO-ADD:0292457,1.8,C(C(OCC)=O)(C(c1ccc(cc1)O)N2C)=C(C)N(C2=O)C,0.0
50021,CO-ADD:0295084,1.8,c1(SCC(c2ccccc2)=O)sc(c3n1)ccc(N(C)C)c3,0.0
50022,CO-ADD:0295074,1.8,N(CCN1C(=O)c2c(SC)nsc2SC)(C1c3ccc(cc3)OC)S(=O)(=O)c4ccc(cc4)C,0.0
50023,CO-ADD:0292645,1.79,C12(C=Cc(c3O1)cccc3OC)Oc(cccc4)c4C(=O)N2C,0.0
50024,CO-ADD:0292412,1.79,N1(c2ccccc2[N+](=O)[O-])C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)F,0.0
50025,CO-ADD:0296097,1.79,C(=O)(NC(C)(C(C)C)C#N)c1cccnc1Oc(cc2)ccc2Cl,0.0
50026,CO-ADD:0296157,1.79,C(=O)(N\N=C\c(cc1)ccc1Br)c2ccc(cc2)Br,0.0
50027,CO-ADD:0296052,1.79,c12c(CCNC1c3cccc(F)c3)cc(c(OC)c2)OC,0.0
50028,CO-ADD:0292372,1.79,N1(CN(CC2)CCC2C(OCC)=O)c(cccc3)c3\C(=N\c4c(OC)cc(c(Cl)c4)OC)\C1=O,0.0
50029,CO-ADD:0294558,1.79,n1(c2c(n3)cccc2)c3c4c(nc1c(cc(cc5[N+](=O)[O-])[N+](=O)[O-])c5N6CCCCC6)cccc4,0.0
50030,CO-ADD:0292621,1.79,n1c2c(oc1c3cccc(c3)NC(COc4ccc(cc4C)C)=O)cccn2,0.0
50031,CO-ADD:0293468,1.79,C(F)(C(F)(F)F)(C1=O)SC(=N1)NC(=O)Nc(ccc(c23)cccc2)c3,0.0
50032,CO-ADD:0293335,1.79,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(=O)Nc2cccc(C)c2C)C1c3ccc(cc3)Cl,0.0
50033,CO-ADD:0293319,1.79,N1(C(=O)CSC1=N)c2sccn2,0.0
50034,CO-ADD:0292610,1.79,N1(c2ccc(cc2)F)C(=O)\C(\C(C)=N1)=C/Nc3nnc(CC)s3,0.0
50035,CO-ADD:0285004,1.79,C1(=NNC2=S)N2c3c(c4c(CCC4)s3)C(=O)N1Cc5ccccc5,0.0
50036,CO-ADD:0285669,1.79,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)COn4c5c(nn4)ccc(c5)[N+](=O)[O-],0.0
50037,CO-ADD:0287513,1.79,C(/c1c(N2)cccc1)(=C/c3c(cccc3Cl)Cl)\C2=O,0.0
50038,CO-ADD:0291221,1.79,C(=C/c(ccc(c1[N+](=O)[O-])N(CC2)CCO2)c1)(/C(=O)NN3c4ccc(c(Cl)c4)Cl)\C3=O,0.0
50039,CO-ADD:0290885,1.79,C12(Nc(cccc3)c3C(=O)N1c4ccccc4)c5c(N(Cc6ccccc6F)C2=O)cccc5,0.0
50040,CO-ADD:0287541,1.79,C(C#N)(C(c1ccc(c(OC)c1)OC)C2=C(N3c4ccc(cc4F)Br)CC(C)(C)CC2=O)=C3N,0.0
50041,CO-ADD:0287810,1.79,C1(C#N)(C#N)[C@H](c(ccc(c2[N+](=O)[O-])Cl)c2)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C56CC(CC7C5)CC(C7)C6,0.0
50042,CO-ADD:0286334,1.79,P(OCC)(O)(=O)c1ccccc1OCCOCCOCCOCCOc2ccccc2P(OCC)(O)=O,0.0
50043,CO-ADD:0286446,1.79,c1(\N=C\c(ccc2c(c(C)c3)cc(c3[N+](=O)[O-])C)o2)n4c(nc1c5ccc(cc5Cl)Cl)cccc4,0.0
50044,CO-ADD:0288082,1.79,c1(NC(CSc2ccccc2)=O)sc(c(c3ccccc3)c1C(OCC)=O)CC,0.0
50045,CO-ADD:0286303,1.79,C(c1ccccc1)(CC2)(CCN2CCC(=O)Nc3c(OC)ccc(Cl)c3)C(OCC)=O,0.0
50046,CO-ADD:0286328,1.79,c12n(ncn1)C(CC(c3cccs3)N2)c(cc4)ccc4N(C)C,0.0
50047,CO-ADD:0286329,1.79,c12n(ncn1)C(CC(c3ccc(cc3)OC)N2)c(cc4OC)cc(c4OC)OC,0.0
50048,CO-ADD:0285041,1.79,S1(=O)(=O)c(cccc2)c2C(N(C)\N=C\c3cccc(OC)c3OC(=O)c4ccccc4F)=N1,0.0
50049,CO-ADD:0285337,1.79,N1(C2c3c(cccc3)Oc(cccc4)c24)N=C(N(C)C1=S)COc5ccccc5C,0.0
50050,CO-ADD:0285401,1.79,N1(c2c(OC)ccc(c2)[N+](=O)[O-])C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
50051,CO-ADD:0292600,1.79,c1(c2c(sc1NC(CC)=O)CCCCC2)C(=O)Nc3cccc(C)c3,0.0
50052,CO-ADD:0293695,1.79,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(cc4OC)cc(c4OCc5cccc(cccc6)c56)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
50053,CO-ADD:0293572,1.79,c1(C#N)c(Cl)nc(c(Cl)c1N(CC(CCC=C2)C2)CC3CCCO3)Cl,0.0
50054,CO-ADD:0294961,1.79,c1(cccc(cccc2)c12)C(OCCNC(c3ccccc3)=O)=O,0.0
50055,CO-ADD:0295563,1.79,c1(C(NCCc(ccc(c2OC)OC)c2)=O)nonc1N,0.0
50056,CO-ADD:0295521,1.79,N1C(c2ccc(c(OC)c2)OCc3ccccc3C#N)SCC1C(O)=O,0.0
50057,CO-ADD:0292696,1.79,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCc(cc5)ccc5[N+](=O)[O-])c3,0.0
50058,CO-ADD:0292594,1.79,n1nc(c2n1CNc3ccc(cc3[N+](=O)[O-])Cl)cccc2,0.0
50059,CO-ADD:0293258,1.79,c1(Nc(cc2)ccc2C(NCCO)=O)c3c(cccc3)c(nn1)C,0.0
50060,CO-ADD:0292304,1.79,C1(SCC(=O)N1c2ccc(cc2)OCCCCC)(c3c(N4CN5CCC(CC5)Cc6ccccc6)cccc3)C4=O,0.0
50061,CO-ADD:0295264,1.79,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)F)Nc2sc(c(CC)c2C#N)C,0.0
50062,CO-ADD:0294728,1.79,N1(c2ccc(cc2)OC(F)(Cl)F)C(=O)C(CC1=O)NCc3ccco3,0.0
50063,CO-ADD:0293470,1.79,c1(NC(=O)c2ccccc2F)n(c3ccccc3)ncc1C(=O)Nc4cccc(cccc5)c45,0.0
50064,CO-ADD:0293488,1.79,c1(c2c(sc1NC(=O)C(F)(F)F)CCCCC2)C(=O)Nc3ccccc3C,0.0
50065,CO-ADD:0293505,1.79,C(=C/C(=O)c1ccc(C)o1)(/Nc2c(N3)cccc2)\C3=O,0.0
50066,CO-ADD:0292699,1.79,c1(C(=O)N(CC2)CCO2)c3c(sc1NC(=O)c4ccc(cc4)C)CC(C)CC3,0.0
50067,CO-ADD:0286394,1.79,C1(C#N)=C(SCc2ccccc2)NC(=O)CC1c3sccc3C,0.0
50068,CO-ADD:0286075,1.79,N1(C(c2ccc(cc2)Br)CC(c3ccc(cc3)C)=N1)C(=N)SC(CC(N4c(cc5)ccc5C(O)=O)=O)C4=O,0.0
50070,CO-ADD:0299523,1.79,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(NCCc4cccc(cccc5)c45)=O,0.0
50071,CO-ADD:0291168,1.78,C(C(c1ccccc1)=O)(C2c3ccc(cc3)OC)=C(O)C(N2CO)=O,0.0
50072,CO-ADD:0290787,1.78,C(C(OCC)=O)(NC(COc1ccccc1)=O)(C(F)(F)F)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
50073,CO-ADD:0291246,1.78,c1(noc(c2ccc(cc2)C)n1)c3nonc3N,0.0
50074,CO-ADD:0292182,1.78,N1(c2c(OC)ccc(OC)c2)C(=O)\C(\SC1=S)=C(/c3c(N4CCCCCC)cccc3)\C4=O,0.0
50075,CO-ADD:0287798,1.78,C(C#N)(C1(CCCCC1)C(C#N)C(N2)=O)=C2SCC(=O)C34CC(CC5C3)CC(C5)C4,0.0
50076,CO-ADD:0299910,1.78,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2Br)NC(C)c3ccc(cc3)Br,0.0
50077,CO-ADD:0299709,1.78,n12c(nnc1CC(OCC)=O)c(nc(non3)c23)Nc4ccccc4C,0.0
50078,CO-ADD:0299182,1.78,C12=C(CC(C)(C)CC1=O)Oc(cccc3)c3C2CC(=O)c4cccs4,0.0
50079,CO-ADD:0287322,1.78,c1(C(OCCN(C)C)=O)c(cc(OC)cc2)c2n(C)c1C.Cl,0.0
50080,CO-ADD:0287330,1.78,c1(c2O)c(ccc2C(=O)Nc(cc3)ccc3OC)C(=O)c(c4C1=O)cccc4,0.0
50081,CO-ADD:0287386,1.78,C(=C/c(ccc(c1OC)OCc(cc2)ccc2Cl)c1)(/C3=O)\C(c4ccccc4)=NO3,0.0
50082,CO-ADD:0288750,1.78,n(c1)c(n(CCNC(c(cc2)oc2[N+](=O)[O-])=O)c1C)Cc3ccccc3,0.0
50083,CO-ADD:0292094,1.78,n1(c2c(nc1)cccc2)C(=O)c3ccc(cc3)OC,0.0
50084,CO-ADD:0296068,1.78,C(C(c1ccccc1)=O)(C2c3ccc(cc3)C)=C(O)C(N2CCCOC)=O,0.0
50085,CO-ADD:0294869,1.78,N1(c2ccc(cc2)OC)C(=O)\C(=C\C=C\c3ccco3)\C(NC1=O)=O,0.0
50086,CO-ADD:0294530,1.78,c1(cc(ccc1N(CC2)CCN2CC)[N+](=O)[O-])C(=O)c3ccc(cc3)Cl,0.0
50087,CO-ADD:0295009,1.78,[n+]1([O-])onc(C)c1COc(cc2)ccc2\C=C(\c(cc3)ccc3[N+](=O)[O-])/C#N,0.0
50088,CO-ADD:0295302,1.78,C(=C\NCCCCCC)(/C1=O)\C(=O)NC(=O)N1,0.0
50089,CO-ADD:0295425,1.78,C(C(OC)=O)(NC(C)=O)(C(F)(F)F)Nc1sc(c2c1C#N)CCCCC2,0.0
50090,CO-ADD:0294993,1.78,c1(NC(CSc2nnc(C)s2)=O)nnc(SCC)s1,0.0
50091,CO-ADD:0292887,1.78,n12c(nc(cc1C(F)(F)F)c3ccco3)cc(C(=O)Nc4c(OC)ccc(Cl)c4)n2,0.0
50092,CO-ADD:0293451,1.78,C(NC(CCCC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C(OC)=O)CCCC2,0.0
50093,CO-ADD:0292396,1.78,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4)cc(c4OC(=O)N(C)C)OC)\C1=O,0.0
50094,CO-ADD:0292523,1.78,N(Cc1ccccc1)(c(cccc2)c23)C(=O)CC(N3C(C)=O)C,0.0
50095,CO-ADD:0295791,1.78,c1(c2ccccc2)nc(oc1c3ccccc3)SCC(=O)Nc4sccn4,0.0
50096,CO-ADD:0286092,1.78,n(c1c2cccc1)c(c(cc3)ccc3C(O)=O)cn2,0.0
50097,CO-ADD:0291299,1.78,N1(c(ccc(c2s3)nc3SCC(c4ccccc4)=O)c2)C(=O)C5C(CCCC5)C1=O,0.0
50098,CO-ADD:0287347,1.78,C(=N\c(ccc(c1C(O)=O)Cl)c1)(/S\C(\C2=O)=C\c(ccc(c3OCC)OCc4cccc(cccc5)c45)c3)\N2,0.0
50099,CO-ADD:0290471,1.78,C(/Sc1ccccc1)(\Sc2ccccc2)=C(/Sc3ccccc3)\Sc4ccccc4,0.0
50100,CO-ADD:0299384,1.78,c(c1c2ccccc2)(C3c4ccc(cc4)OCC)c([nH]n1)OC(N)=C3C#N,0.0
50101,CO-ADD:0287023,1.78,c1(c(C)cc(nc1Cl)Cl)C(=O)Nc(cc2)ccc2Cl,0.0
50102,CO-ADD:0286776,1.78,N1(c2c(OC)ccc(OC)c2)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(c5c4)OCO5,0.0
50103,CO-ADD:0287653,1.78,c1(cc(nn1c2ccccc2)c3ccccc3)c4c5c(n(C)c4)cccc5,0.0
50104,CO-ADD:0287631,1.78,C(CO)(CO)(CO)c1ccccn1,0.0
50105,CO-ADD:0287896,1.78,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccccc1Cl)Nc2sc(c3c2C#N)CCCC3,0.0
50106,CO-ADD:0287944,1.78,n(c(C)nn1)([nH]c(n2)c3cc(OC)ccc3OC)c12,0.0
50107,CO-ADD:0287296,1.78,C12=C(SC(CCCCCCCCCC3)C3S1)SC(=S)S2,0.0
50108,CO-ADD:0299530,1.78,c12c(nnc(SCc3ccccc3F)n1)c4c(cccc4)n2CC=C,0.0
50109,CO-ADD:0299732,1.78,C(C(C)=O)(N=Nc(cc1)ccc1C)=P(c2ccccc2)(c3ccccc3)c4ccccc4,0.0
50110,CO-ADD:0291235,1.77,N1(c2cccc(Cl)c2)C(=O)\C(=C/Nc(cc3)ccc3Br)\C(NC1=O)=O,0.0
50111,CO-ADD:0286772,1.77,N1(c2ccc(cc2)OCCC)C(=O)CC(N(Cc(cc3)ccc3S(N)(=O)=O)C(CC)=O)C1=O,0.0
50112,CO-ADD:0295329,1.77,c1(SCC(=O)Nc(cccc2C(F)(F)F)c2)nccn1C,0.0
50113,CO-ADD:0295860,1.77,c1(C2c3cc(OC)ccc3OC)c([nH]nc1c(cc4)ccc4[N+](=O)[O-])OC(N)=C2C#N,0.0
50114,CO-ADD:0295828,1.77,C(=C\NCCCC(O)=O)(/C(=O)c(c12)cccc1)\C2=O,0.0
50115,CO-ADD:0295359,1.77,c1(c2C(C)C)c([nH]n2)OC(N)=C(C#N)C1c3cc(OCO4)c4cc3[N+](=O)[O-],0.0
50116,CO-ADD:0295468,1.77,c1(cc(Br)c(c23)cccc2)c3NC(=O)CC1c4ccc(cc4OC)OC,0.0
50117,CO-ADD:0293833,1.77,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(cc5OC)cc(c5O)OC)cccc4,0.0
50118,CO-ADD:0292900,1.77,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4)c1Cl,0.0
50119,CO-ADD:0293133,1.77,c12c(ncnc1Nc(cc3)ccc3C)c4c(cccc4)o2,0.0
50120,CO-ADD:0135711,1.77,n1cccc(CC(C(OCC)=O)=O)n1,0.0
50121,CO-ADD:0137136,1.77,C1CC1NC(Nc2c(cc(c3cc(OC)c(NC(NC4CC4)=O)cc3)cc2)OC)=O,0.0
50122,CO-ADD:0137152,1.77,c1cc(C(Oc2c3n(CCCN(C)C)c(c4c(cccc4)cc5)c25)=O)c3cc1.Cl,0.0
50123,CO-ADD:0136782,1.77,c1ccc2c(c(cc(N)c2)C(=O)N(CCN(CCC3)C3)C4=O)c14,0.0
50124,CO-ADD:0137006,1.77,n1(cc(c2nc(Oc(cccc3)c3)nc(Cl)n2)c(ccc4)c1c4)c(ccc5)cc5,0.0
50125,CO-ADD:0136695,1.77,S=C(N(C)c(c1C2=O)nc(SCc3ccccn3)n1[H])N2C,0.0
50126,CO-ADD:0135656,1.77,O1CC(C)(C)COC12C(O)=CCC2C,0.0
50127,CO-ADD:0135592,1.77,c1c(c2ccc(O)c(N)c2)cccc1,0.0
50128,CO-ADD:0137121,1.77,C1(C#N)=C[C@](C)(C(=CC(=O)[C@]([H])([C@]([H])(CC(C)(C)CC2)[C@@]2(C(n3cncc3)=O)CC4)[C@@]45C)[C@@]5(C)CC6)[C@]6([H])C(C)(C)C1=O,0.0
50129,CO-ADD:0136196,1.77,N1=C(N)N(C(=N)N)C(c(ccc2)c1c2)=O,0.0
50130,CO-ADD:0136204,1.77,O=C(N(C)c(c1C2=O)nc(OC(C)CC)n1C)N2C,0.0
50131,CO-ADD:0136244,1.77,n1([H])c(C(O)=O)cc(cc(OCc(cccc2)c2)c3)c1c3,0.0
50132,CO-ADD:0136053,1.77,c1c(NC(NC(C)CC)=S)cccc1,0.0
50133,CO-ADD:0136141,1.77,O=C(NC1C(N([H])C(=O)CC1)=O)c2ccccc2,0.0
50134,CO-ADD:0136125,1.77,c1(C#N)nnn(c2ccc(Cl)cc2)c1N,0.0
50135,CO-ADD:0136205,1.77,Clc1ccc(n2c(N)nnc2S[H])cc1,0.0
50136,CO-ADD:0135661,1.77,[H]N1C(C(C2CCCCC2)=C(N)O1)=O,0.0
50137,CO-ADD:0135701,1.77,C(c1ccncc1)(N(CC2)CCC3)N23,0.0
50138,CO-ADD:0135629,1.77,c1(N)nn([H])c(c2ccccc2)n1,0.0
50139,CO-ADD:0135709,1.77,n1c(c(ccc2)nc(ccc3)c1c3)c2O,0.0
50140,CO-ADD:0135574,1.77,n1cccc(CCCCC)c1,0.0
50141,CO-ADD:0136270,1.77,o1c(CNC(=O)Nc(ccc([N+](=O)[O-])c2)c2)ccc1,0.0
50142,CO-ADD:0136956,1.77,O=S(N)(=O)c(cc1c(N(C(Cc2ccccc2)N([H])S1(=O)=O)[H])c3)c3Cl,0.0
50143,CO-ADD:0135744,1.77,C1(C(=NO)C)CC(CC(O)=O)C1(C)C,0.0
50144,CO-ADD:0135856,1.77,c1(N)cc(NC(=O)c(ccc(N)c2)c2)ccc1,0.0
50145,CO-ADD:0136522,1.77,c1ccc(CCC(=C/c2ccc(OCC)cc2)C3=O)c3c1,0.0
50146,CO-ADD:0136460,1.77,N#Cc1c(N)[n+]([O-])c(NCCN(CC)CC)c(C)n1,0.0
50147,CO-ADD:0136412,1.77,c1c(NC(=O)Nc(c(C(N)=O)ccc2)c2)ccc(C)c1,0.0
50148,CO-ADD:0136697,1.77,[H]n1cc(C(Cc(c(cc(OC)c2OC)Cl)c2)=O)c(ccc3)c1c3,0.0
50149,CO-ADD:0136186,1.77,Clc1ccc(nc(C)c2[N+](=O)[O-])n2c1,0.0
50150,CO-ADD:0136122,1.77,[H]Sc(sc(NC(NCC(NN)=O)=O)n1)n1,0.0
50151,CO-ADD:0136210,1.77,Clc1c(nc(c(n2[H])n1)nc2CO)Cl,0.0
50152,CO-ADD:0136298,1.77,N1=C(NC(C)=O)N([H])C(C)=C(CCC(OCC2)O2)C1=O,0.0
50153,CO-ADD:0136250,1.77,n1c(ccc(C)c2)c2c(C(OCC)=O)cc1c(cccc3)c3,0.0
50154,CO-ADD:0136258,1.76,c1c(Nc2c(C(O)=O)cc(cccc3)c3c2)cccc1,0.0
50155,CO-ADD:0136354,1.76,O1C(C)=CC(C(C(C)=Nc(c(ccc2)Cl)c2)C1=O)=O,0.0
50156,CO-ADD:0137020,1.76,c12c(C(CO)N(C(C#N)C(CC3C(=O)O)N(C)C34)C4C1)c(OC)ccc2,0.0
50157,CO-ADD:0137068,1.76,[C@]1(NC(C)=O)(C(C(=CC=C(OC)C2=O)c(c(OC)c(OC)c3OC)c(CC1)c3C=O)=C2)[H],0.0
50158,CO-ADD:0135845,1.76,Brc(ccc1OC)c(CC2)c1C2=O,0.0
50159,CO-ADD:0135853,1.76,O=C(N(C)c(c1C2=O)nc(C(C)C)n1[H])N2C,0.0
50160,CO-ADD:0135781,1.76,C(#C)C1(CCCCC1)N2CCCCC2,0.0
50161,CO-ADD:0136021,1.76,O1C(CCC1(C)c2ccc(cccc3)c3c2)=O,0.0
50162,CO-ADD:0137178,1.76,[H][C@](C[C@]([C@](CO1)([C@@]2([C@@]13O)[H])[C@@]([C@H](C4=O)OC(=O)[C@@](CC)(C)O)([C@@H](C)[C@H]3O)[H])(O4)[H])(C(C)=C[C@H](O)[C@H]5O)[C@@]25C,0.0
50163,CO-ADD:0137184,1.76,O1P(NCCC1)(=O)N(CCCl)CCCl,0.0
50164,CO-ADD:0137196,1.76,[H][C@@](C([C@@]1(C)CC2)=C(C)C(=NO)C=C1)([C@@]2([C@H](C)C3=O)[H])O3,0.0
50165,CO-ADD:0137214,1.76,n1c(c(cc2c1cccc2)C3)C(=CC([C@](CC)(O)C(=O)O4)=C(C4)C5=O)N35,0.0
50166,CO-ADD:0135750,1.76,O=C(CC(CCO1)C12C)N2CCCC,0.0
50167,CO-ADD:0135838,1.76,O1C(COC(N(C)C)=O)COc(ccc2)c1c2,0.0
50168,CO-ADD:0136056,1.76,c1(NC(Nc2ccccc2)=S)sccn1,0.0
50169,CO-ADD:0137077,1.76,O1C(C(Cl)(Cl)Cl)OC(C(Cl)(Cl)Cl)c(cc(S(O)(=O)=O)c2)c1c2,0.0
50170,CO-ADD:0136612,1.76,N1([H])C=C(C)C(N=C1SCc(c(cc(c2)Cl)Cl)c2)=O,0.0
50171,CO-ADD:0137176,1.76,O1c(cc(O)c2)c(c2)N=C3C1=CC(C=C3)=O,0.0
50172,CO-ADD:0137245,1.76,O=C(C(C)(C)[C@]([C@H](OC(C)=O)[C@H]1O)([C@@](C)(C(=C1C([C@@]23C[C@@]2(C)[H])=O)[C@@]4(O)[C@@H]3OC(C)=O)[C@@]45[H])[H])C5,0.0
50173,CO-ADD:0137185,1.76,C1(c(c(ccc2)C(OC(C)(C)CC3)=C3C1=O)c2)=O,0.0
50175,CO-ADD:0137265,1.76,c1c(C(=O)CCC(C)O)cco1,0.0
50176,CO-ADD:0136542,1.76,c1c(c2ccc(C(=O)c(cccc3)c3)cc2)ccc(O)c1,0.0
50177,CO-ADD:0136479,1.76,c1ccn(nc(NCC)c2C=C(C#N)/C(OCC)=O)c2c1,0.0
50178,CO-ADD:0136960,1.76,O(CC)C(Nc1cc2c(nc(Sc3ccc(Cl)cc3)s2)cc1)=O,0.0
50179,CO-ADD:0136537,1.76,C1(NC(=O)c(ccc(c2)Cl)c2)(N3CCOCC3)CC1,0.0
50180,CO-ADD:0135977,1.76,O1CC(c(c(OC)c(O)c2OC)c1c2)=O,0.0
50181,CO-ADD:0135993,1.76,n1scc(NC(=O)c(csn2)n2)n1,0.0
50182,CO-ADD:0135858,1.76,c1c(Nc2ccc(cccc3)c3c2)ccc(O)c1,0.0
50183,CO-ADD:0135762,1.76,n1ccc(cc1)n2c(c(ccc3)nn2)c3,0.0
50184,CO-ADD:0136535,1.76,O(C)c1cc(NC(N(CC=C)CC=C)=O)c(OC)cc1,0.0
50185,CO-ADD:0135902,1.76,O=C1C(NC(NN)=S)C(CC2)C(C)(C)C12C,0.0
50186,CO-ADD:0135815,1.76,C1(c2ccccc2)OC(=N)C(O)=C1O,0.0
50187,CO-ADD:0135767,1.76,c1(C)cc(O)c2c(n(nc2O)[H])n1,0.0
50188,CO-ADD:0136859,1.76,c1cc2c(c(c(ccc3C(CCC(O)=O)=O)cc2)c3cc4)c4c1,0.0
50189,CO-ADD:0136995,1.76,c1c2c(ccc(C(=O)CSc(s3)nc(ccc4[N+](=O)[O-])c3c4)c2)ccc1,0.0
50190,CO-ADD:0136826,1.76,C1CC1c(cc(NC(Nc2ccc(Cl)cc2)=O)n3C(C)(C)C)n3,0.0
50192,CO-ADD:0136131,1.76,c1c(N)ncc(C(c(scc2)c2)=O)c1,0.0
50193,CO-ADD:0136243,1.76,c1cc(NC(=O)C(C)(C)C)ccc1NC(C(C)(C)C)=O,0.0
50194,CO-ADD:0136140,1.76,c1(N)ccc(S(=O)(N(C)C)=O)cc1[N+](=O)[O-],0.0
50195,CO-ADD:0136839,1.75,O=[As](O)(c(ccc(c1)Cl)c1)C(C(O)CCC2)C2,0.0
50196,CO-ADD:0136983,1.75,O=C(CC(C(c(c1c2cccc1)cn2C(C)=O)CC(=O)O3)=C3C4)C4(C)C,0.0
50197,CO-ADD:0136864,1.75,n1c(Sc2c([N+](=O)[O-])ncn2C)n(C)c(c3cnccc3)n1,0.0
50198,CO-ADD:0136976,1.75,c1ccc(CCC2SCC(NNC(Nc3c(C)cc(C)cc3)=O)=O)c2c1,0.0
50199,CO-ADD:0136288,1.75,N1=C(SC)N([H])C(O)=C(Nc(cc(cc2)Cl)c2)C1=O,0.0
50200,CO-ADD:0136368,1.75,c1(C)cccc(NC(Nc2cccc(C)n2)=S)n1,0.0
50201,CO-ADD:0136225,1.75,c1c(Nc(c([N+](=O)[O-])cc(S(=O)(=O)N)c2)c2)cccc1,0.0
50202,CO-ADD:0136353,1.75,n1(C)c(cccc2)c2c(ccc(c3C4=O)C(C=C4)=O)c13,0.0
50203,CO-ADD:0136138,1.75,c1cc(C)c(NC(N(CCO)C)=O)cc1Cl,0.0
50204,CO-ADD:0136613,1.75,c1nc(C(=S)N2CCSC(=N3)C(N=C4)C(=N4)N=C3)c(N=C2)n1[H],0.0
50205,CO-ADD:0136661,1.75,Clc(ccc1O)cc1C(C=Cc(ccc(N(C)C)c2)c2)=O,0.0
50206,CO-ADD:0136834,1.75,c1ccc(c2c(c(n([H])n2)c3ccc(Cl)c(Cl)c3)C4)c4c1,0.0
50207,CO-ADD:0136762,1.75,Fc1ccc(c(cc(c(scc2)c2)cc3c4ccccc4)n3)cc1,0.0
50208,CO-ADD:0135947,1.75,s1c(c2ccccn2)nc(ccc3)c1c3,0.0
50209,CO-ADD:0135740,1.75,N1([H])c(cccc2)c2C=Cc3c1cccc3,0.0
50210,CO-ADD:0135860,1.75,c1c(C(C(O)=O)C2(O)CCCCC2)cccc1,0.0
50211,CO-ADD:0135972,1.75,n1cc([N+](=O)[O-])c(NCCCC)nc1N,0.0
50212,CO-ADD:0136094,1.75,c1(C)ccc(C)cc1C(CCC(O)=O)=O,0.0
50213,CO-ADD:0136063,1.75,S1CCC(C)(C)N=C1C=Cc(cccc2)c2,0.0
50214,CO-ADD:0136143,1.75,c1(C)ccc(C(Nc2ccccc2)=N)cc1,0.0
50215,CO-ADD:0135660,1.75,n1ccccc1Nc(c(O)ccc2)c2,0.0
50216,CO-ADD:0135604,1.75,c1c2c(cccc2)n([H])c1c3ccccc3,0.0
50217,CO-ADD:0137013,1.75,Fc1c(cc(NC(NC(c2c(cccc2F)F)=O)=O)c(F)c1Cl)Cl,0.0
50218,CO-ADD:0136084,1.75,Clc1c(nc(c(n2[H])n1)nc2C(O)=O)Cl,0.0
50219,CO-ADD:0136504,1.75,n1c(c2ccccc2)cc(NC(c3ccc(Cl)cc3)=O)n1[H],0.0
50220,CO-ADD:0136448,1.75,Fc(cc1)cc(C(=O)Nc(ccc(ccc2)c3c2)c3)c1,0.0
50221,CO-ADD:0136528,1.75,C1CCc(sc(NC(NC)=S)c2C(OCC)=O)c2C1,0.0
50222,CO-ADD:0136584,1.75,c1(O)c(C(C)C)cc(NC(Nc2c3c(cccc3)ccc2)=O)c(C)c1,0.0
50223,CO-ADD:0136489,1.75,c1(C)c([N+](=O)[O-])cc(NC(N2CCCCC2)=O)cc1,0.0
50224,CO-ADD:0135626,1.75,O=C1C(=C(C(O)=O)N([H])C(=O)N1[H])F,0.0
50225,CO-ADD:0137047,1.75,O1CC=C(C2)C(CC(C(CC3)(C4N5[H])C(=CC6=O)C5=C([N+](=O)[O-])C6=O)N23)C4C1CC(=O)OC,0.0
50226,CO-ADD:0137135,1.75,C1(C)(C)COP(OC2=C(C(=O)N(C3CCCCC3)N=C2)OC)(=S)OC1,0.0
50227,CO-ADD:0243015,1.75,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CN4CCCCC4)O3)OC,0.0
50228,CO-ADD:0243071,1.75,c(OC1)(c(OC)cc2\C=C\C(=O)NCCOC(=O)\C=C/c3cc(OC4)c(O4)c(OC)c3)c(O1)c2,0.0
50230,CO-ADD:0242992,1.75,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OC)cc(c56)OCO6,0.0
50231,CO-ADD:0240094,1.75,C=C1[C@]([C@]([H])(C2=CC=CC=C2)N3C=CC4=C3C=CC=C4)([H])CC(C(OC)=O)(C(OC)=O)C1,0.0
50232,CO-ADD:0240097,1.75,C[C@]1(CC2)[C@@]3([H])[C@@](C=C[C@@H]3OC(C4=CC=CC=C4)=O)([H])[C@]2([H])O1,0.0
50233,CO-ADD:0243465,1.75,c(C(C1)c2c(OC)c(OC)c3c(OCO3)c2)(c(NC1=O)c4C(O)=O)n(c(cccc5C(F)(F)F)c5)c4,0.0
50236,CO-ADD:0243621,1.75,c(O1)(cc(CO)c2OC)c(OC1)c2OC,0.0
50237,CO-ADD:0242997,1.75,c(C(=O)N1CC(C2)=NOC2Cc3c(OC)c(OC)c(OC4)c(O4)c3)(ccc5)c(C1=O)c5,0.0
50238,CO-ADD:0243935,1.75,c(cccc1)(c12)OC(=O)C(C(c(cc(OCO3)c34)cc4OC)CC(=O)NCCc5c(ccc6)c(c6)[nH]c5)=C2O,0.0
50239,CO-ADD:0243144,1.75,c(CC(C1)ON=C1C(OCC)=O)(c(Br)c(c2c3OCO2)OC)c3Br,0.0
50240,CO-ADD:0243641,1.75,c(C)(cc1C)nc2c1c(n(ccc3)c3)c(C(=O)N\N=C\c(c(OC)c4c5OCO4)c(CC6CC(c(c7)ccc(OC)c7)=NO6)c5OC)s2,0.0
50241,CO-ADD:0243455,1.75,c(c(cc1)ccc1O)(nc2c(c(OC)c3OC)cc4c3OCO4)on2,0.0
50244,CO-ADD:0243309,1.75,[se]1c2c(NC(=O)CC2c3cc(OC)c(OCO4)c4c3OC)nc1N,0.0
50245,CO-ADD:0243083,1.75,c(C1C(C#N)=C(N)OC(CC2(C)C)=C1C(=O)C2)(c3OC)c(CCC)c(OC)c(OCO4)c34,0.0
50246,CO-ADD:0243707,1.75,c1cc2c(cc1)OC(=O)C3=C2OC(C3c(cc(c(OCO4)c45)OC)c5OC)C(OC)=O,0.0
50247,CO-ADD:0243038,1.75,c(\C(\Cl)=N\O)(c(Cl)c(c(OCO1)c12)OC)c2Cl,0.0
50248,CO-ADD:0243379,1.74,C1(NC(=O)CC2c(cc3OC)cc(c34)OCO4)=C2C(NC(N)=N1)=O,0.0
50250,CO-ADD:0243150,1.74,c1(c2OC)c(OCO1)c(OC)cc2CC(CC(=N3)CNCCc(c4c([nH]5)cccc4)c5C)O3,0.0
50251,CO-ADD:0243884,1.74,c(cc1)(OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)NCc(cc4)ccc4F)=C5O)c5cc1,0.0
50252,CO-ADD:0243940,1.74,c(cc1C(C(c(c(OC)c2c3OCO2)cc3OC)C(OC)OC)=O)c(OO)cc1,0.0
50253,CO-ADD:0243164,1.74,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCCc(c4)c5c([nH]4)ccc(C)c5)O3)OC,0.0
50254,CO-ADD:0243877,1.74,C1=C(C)OC(=O)C(C(c(cc2c3OCO2)cc3OC)CC(=O)Nc(cc4)ccc4OC(F)(F)F)=C1O,0.0
50255,CO-ADD:0243890,1.74,c(cc1)(OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)NCc(cc4Cl)ccc4Cl)=C5O)c5cc1,0.0
50256,CO-ADD:0244013,1.74,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(=O)CCCCO[N+]([O-])=O,0.0
50257,CO-ADD:0243650,1.74,c(OC)(cc1c2nc(Cc(cc3)ccc3OC)no2)c(OCO4)c4c1OC,0.0
50258,CO-ADD:0243050,1.74,c(CC(CC(=N1)CO)O1)(c(Br)c(c2c3OCO2)OC)c3Br,0.0
50259,CO-ADD:0243579,1.74,c(OCO1)(c1c2OC)cc(c3c(c(cc4)ccc4OC)n[nH]c3N)c2,0.0
50260,CO-ADD:0243915,1.74,C(C(=O)N1)(C(c2cc(OC)c(OCO3)c3c2OC)CC(NCc4ccc(F)cc4)=O)=C(O)C(C(=O)OCC)=C1,0.0
50261,CO-ADD:0243011,1.74,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCc(ccc4Cl)cc4)O3)OC.Cl,0.0
50262,CO-ADD:0243027,1.74,c(C#[N+][O-])(c1OC)c(Cl)c(c2c1OCO2)OC,0.0
50263,CO-ADD:0244002,1.74,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(OCc2ccccc2)=O)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(=O)C(N)C(C)C,0.0
50265,CO-ADD:0243706,1.74,C1(c(cc(c2c3OCO2)OC)c3)C(C(OC)=O)OC4=C1C(=O)Oc(c4ccc5)c5,0.0
50266,CO-ADD:0243714,1.74,N1(CCCC1)CCN2C(=O)C(O)=C(C2c(cc3c(c4OC)OCO3)c4OC)C(=O)c5cc(OC)c(OC)cc5,0.0
50267,CO-ADD:0243730,1.74,N1(CCCC1)CCN2C(=O)C(O)=C(C2c(cc(OC)c3c4OCO3)c4OC)C(=O)c5cc(OCO6)c6cc5,0.0
50268,CO-ADD:0243735,1.74,c(c(c1c(OC)c2OC)OCO1)c2C3C(C(=O)OC)OC4=C3C(=O)OC(C)=C4,0.0
50270,CO-ADD:0243767,1.74,c(cc(c1)CN(C(=O)C(O)=C2C(=O)c3cc4c(OCCO4)cc3)C2c5c(OC)c(OCO6)c6c(OC)c5)(OC7)c(c1)O7,0.0
50271,CO-ADD:0243296,1.74,C1(OC(N)=C(C2c(cc(c3c4OCO3)OC)c4)C#N)=C2C(NC=N1)=O,0.0
50272,CO-ADD:0243781,1.74,c(c(SCC(=CC1=O)OC(C(c2c(OC)c3c(OCO3)c(OC)c2)CC(=O)OC)=C1O)cc4)cc4Cl,0.0
50273,CO-ADD:0243789,1.74,c(cc1)(OC(=O)C(C(c(cc2c(OCO2)c3OC)c3)C(C(=O)Nc(ccc(OC)c4)c4)O5)=C56)c6cc1,0.0
50275,CO-ADD:0243718,1.74,N(CCO1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3cc(OC)c(OC)cc3)C2c(c4)cc(OCO5)c5c4OC,0.0
50276,CO-ADD:0243342,1.74,c1(c(ns2)c3ccccc3)c2C(CC(=O)N1)c(cc(OC)c(c45)OCO4)c5OC,0.0
50277,CO-ADD:0243478,1.74,COc(ccc(c(c(c1cc(OC)c(OCO2)c2c1)n3)c(o3)N(C(=O)C)C(=O)C)c4)c4,0.0
50278,CO-ADD:0243534,1.74,C12=C(C(CC(=O)N1c3cccc(OC)c3)c(cc4OC)cc(c45)OCO5)SC(=O)N2C,0.0
50279,CO-ADD:0243531,1.74,c12c(C(CC(=O)N1)c(cc(OC)c(c34)OCO3)c4)snc2c5ccc(cc5)OC,0.0
50280,CO-ADD:0243843,1.74,c(c(OC(N)=C(C#N)C1c(cc2c3OCO2)cc3OC)c1cc4)c4O,0.0
50281,CO-ADD:0243700,1.74,n(c1c(c2c3c(OC)c(OCO4)c4c(OC)c3)SC(N1CC(=O)OC)=O)c5c2cnn5C(C)C,0.0
50282,CO-ADD:0243764,1.74,N(C(=O)C(O)=C1C(=O)c2cc3c(OCCO3)cc2)(C1c(cc4c5OCO4)c(OC)c5OC)CCCn6ccnc6,0.0
50284,CO-ADD:0243500,1.74,C(c(c1N2)cc3c(CCC3)c1)(c(cc(OCO4)c4c5OC)c5)C(=C2C6)C(O6)=O,0.0
50285,CO-ADD:0243197,1.74,C(C1ON=C(c(c2)ccc(Cl)c2)C1)c(c3\C=N/NC(c(sc4)cc4)=O)c(OC)c(OC)c5c3OCO5,0.0
50286,CO-ADD:0243205,1.74,c(\C=N/NC(=S)N)(c1OC)c(CC2CC(C(OCC)=O)=NO2)c(OC)c(OCO3)c13,0.0
50287,CO-ADD:0243522,1.74,C12=C(C(CC(=O)N1c3ccc(cc3)F)c(cc(OC)c(c45)OCO4)c5OC)SC(=O)N2C,0.0
50288,CO-ADD:0243949,1.74,c(OC)(c(O)c1)ccc1c2oncc2c3cc(OC)c4c(OCO4)c3,0.0
50290,CO-ADD:0243246,1.74,C(C(NN)=O)(C1C)=NOC1c(cc(c(OCO2)c23)OC)c3OC,0.0
50291,CO-ADD:0243699,1.74,C(=O)(N)CN1C(Sc(c2c3cc(OCO4)c4c(OC)c3)c1nc(c2cn5)n5C(C)C)=O,0.0
50292,CO-ADD:0243520,1.73,C1(N2CC(OC)=O)=C(C(CC(=O)N1c3ccc(OC)cc3)c(cc(c(OCO4)c45)OC)c5OC)SC2=O,0.0
50293,CO-ADD:0243289,1.73,c(CC(C1)ON=C1C(NN)=O)(c(OC)c2OC)c(Br)c(c23)OCO3,0.0
50294,CO-ADD:0243756,1.73,c1(OC2)c(O2)ccc(CN(C(C(O)=C3C(=O)c4sccc4)=O)C3c5cc(OCO6)c6c(OC)c5)c1,0.0
50297,CO-ADD:0243383,1.73,c(c(COC)[nH]n1)(C2c(cc(c3c4OCO3)OC)c4)c1OC(N)=C2C#N,0.0
50298,CO-ADD:0243399,1.73,COc1c(c(c(c(C(c(c2N3)nn(c2)C)C(=C3C4)C(O4)=O)c1)OC)OC5)O5,0.0
50299,CO-ADD:0240105,1.73,C[C@]1(CC2)[C@@]3([H])[C@@](C=C[C@@H]3OC(C4=CC=CC=C4)=O)([H])[C@]2(C5=CC=CC=C5)O1,0.0
50300,CO-ADD:0218455,1.73,C(c1ccccc1)(=O)N\N=C\C(c2ccccc2)=O,0.0
50301,CO-ADD:0218711,1.73,C(=O)(N\N=C\c(cc1)ccc1I)C(=O)Nc2ccccc2C,0.0
50302,CO-ADD:0225648,1.73,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc4cccc(OC)c4)=O,0.0
50303,CO-ADD:0225704,1.73,C1(=N2)N(C=CN=C1Oc(cc(C)cc3C)c3)C(N2CC(=O)Nc4cccc(Cl)c4)=O,0.0
50304,CO-ADD:0218456,1.73,C(=O)(N\N=C\C(c1ccccc1)=O)c2ccc(cc2)Cl,0.0
50305,CO-ADD:0215450,1.73,C(=O)(C\C(\C)=N\NC(=O)c1cccc(C)c1)Nc2cc(C)ccc2OC,0.0
50306,CO-ADD:0214906,1.73,N1(c2ccccc2)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
50307,CO-ADD:0215551,1.73,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\NC(=O)c3cccc(C)c3,0.0
50308,CO-ADD:0215597,1.73,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2cccc(OC)c2,0.0
50309,CO-ADD:0214973,1.73,C(N(CC)CC)(=S)Oc(cc1)ccc1C(=O)Nc(ccc(c23)cccc2)c3,0.0
50310,CO-ADD:0215398,1.73,N12C(S\C(=C/c(cc3)ccc3C(C)C)\C1=O)=C(C(c(cc4)ccc4C(C)C)C(C#N)=C2N)C#N,0.0
50311,CO-ADD:0166084,1.73,N(/NC(=O)Cc1cccc(cccc2)c12)=C(/C)\c(ccc(c34)OCCO3)c4,0.0
50312,CO-ADD:0166307,1.73,C(=O)(Nc(cc1)ccc1OCCCCC)C(=O)NCC2CCCO2,0.0
50313,CO-ADD:0166393,1.73,c1(ccc(cc1Cl)Cl)C(=O)Oc2ccccc2\C=N\NC(=O)c(cc3)ccc3NC(c4ccccc4)=O,0.0
50314,CO-ADD:0166287,1.73,C(=O)(N\N=C\c1ccc(C)o1)C(=O)Nc(cc2)ccc2OCCCCC,0.0
50315,CO-ADD:0166414,1.73,N1(CNc2ccccc2C(OCC)=O)C(=O)\C(\SC1=O)=C\c(cc3)ccc3O,0.0
50316,CO-ADD:0166676,1.73,c1(C#N)c(C)c(C)c(nc1SCC(=O)Nc(cc2)ccc2I)C,0.0
50317,CO-ADD:0229888,1.73,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(ccc(n2)C)c2)c(cc3OC)cc(c3OC)OC,0.0
50318,CO-ADD:0230955,1.73,C(C(c1ccccc1)=O)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2CCN(CC)CC)=O,0.0
50319,CO-ADD:0227745,1.73,c(C(=O)c1ccc(cc1)Br)(sc(c23)nc(cc2C(F)(F)F)c4ccccc4)c3N,0.0
50320,CO-ADD:0231377,1.73,c1(oc(c2n1)ccc(c2)\N=C\c3cc(C)cc(Br)c3O)c4ccc(cc4Cl)Cl,0.0
50321,CO-ADD:0229819,1.73,N1(C(c2ccc(cc2)OC)CC(c3ccc(cc3)OC)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N(CC6)CCO6)n4,0.0
50322,CO-ADD:0229813,1.73,C12(CC(CC3C1)CC(C3)C2)C(=O)O\N=C(/C4)\c5c(C4)cc(OC)cc5,0.0
50323,CO-ADD:0229771,1.73,C(=N/c1cccc(OC)c1)(/NC(=O)C(C2=O)(CC)C(C)CCC)\N2,0.0
50324,CO-ADD:0229057,1.73,N1(CCCC1=O)c2cccc(C)c2,0.0
50325,CO-ADD:0236014,1.73,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccccc2I)Nc3sccn3,0.0
50326,CO-ADD:0233524,1.73,c1(Br)ccc(\C=N\NC(=O)Cc2cccc(cccc3)c23)o1,0.0
50327,CO-ADD:0233561,1.73,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Br)c(c3Br)O)c3O)c4cc(Cl)ccc4Cl,0.0
50328,CO-ADD:0231604,1.73,n1c2c(oc1c3cccc(c3)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-])ccc(C)c2,0.0
50329,CO-ADD:0233131,1.73,N1(C=C(C)C(NC1=O)=O)[C@H]2CC([C@@H](COC(=O)c3ccc(cc3)C)O2)N=[N+]=[N-],0.0
50330,CO-ADD:0233197,1.73,C(Cl)(Cl)(c1nsc(Cl)c1Cl)C(Cl)(Cl)c2nsc(Cl)c2Cl,0.0
50331,CO-ADD:0236309,1.73,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
50332,CO-ADD:0236301,1.73,S(=O)(=O)(N(CC)CC)c1c(C)ccc(c1)C(=O)Nc2nnc(c3ccccc3)s2,0.0
50333,CO-ADD:0227987,1.73,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C/c(cc2)cc(c2OC(=O)c3ccc(cc3)Br)OCC,0.0
50334,CO-ADD:0231773,1.73,c1(oc(c2n1)ccc(c2)\N=C\c3ccccc3)c4cccc(Cl)c4Cl,0.0
50335,CO-ADD:0231274,1.72,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc3ccccc3CC,0.0
50336,CO-ADD:0231231,1.72,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc(cc3)ccc3Cl,0.0
50337,CO-ADD:0227300,1.72,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(COc(cc3)ccc3C)=O,0.0
50338,CO-ADD:0227553,1.72,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc2cc(C)ccc2C(C)C)=O,0.0
50339,CO-ADD:0219410,1.72,N(=C\c1ccccc1Cl)/NC(CCC(=O)Nc2cccc(Cl)c2)=O,0.0
50341,CO-ADD:0222035,1.72,N(=C(/CC)\c1ccccc1)/NC(CNc2ccccc2C)=O,0.0
50342,CO-ADD:0222679,1.72,c1(sccn1)\N=C\c(cc2)ccn2,0.0
50343,CO-ADD:0221998,1.72,S(=O)(=O)(Nc(cc1)ccc1I)c2c(C)ccc(c2)C(=O)Nc(cc3)ccc3I,0.0
50344,CO-ADD:0222449,1.72,N(=C(/C)\c1ccc(cc1)Cl)/NC(CNc(ccc(c23)cccc2)c3)=O,0.0
50345,CO-ADD:0220322,1.72,C(CNc1cccc(C)c1)(=O)N\N=C\c(cc2)ccc2O,0.0
50346,CO-ADD:0220289,1.72,C(OCCC)(=O)c1ccc(cc1)NC(CCCCC)=O,0.0
50347,CO-ADD:0219816,1.72,C1(C(=O)Oc(cccc2[N+](=O)[O-])c2)C3C1CCCC3,0.0
50348,CO-ADD:0219700,1.72,c1(OCC(=O)N\N=C\c(ccc(c2Br)OC)c2)c(Br)cc(cc1Br)Br,0.0
50349,CO-ADD:0219693,1.72,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCC(=O)Nc2c(Cl)ccc(Cl)c2)=O,0.0
50350,CO-ADD:0219794,1.72,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c(ccc(c2OCC)OCCC)c2,0.0
50351,CO-ADD:0222512,1.72,n1c(ccc(c2)\N=C\c(cc(OCO3)c3c4)c4Br)c2oc1c5ccc(cc5)OC,0.0
50352,CO-ADD:0222854,1.72,C12(CC3CC(CC(C3)C1)C2)C(=O)N4CCCC4,0.0
50353,CO-ADD:0218401,1.72,C1(Nc(c(Nc(ccc(c2C)C)c2)nc(c34)non3)n4)=C(C)N(N(c5ccccc5)C1=O)C,0.0
50354,CO-ADD:0218318,1.72,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(/C)\c2ccccc2,0.0
50355,CO-ADD:0218307,1.72,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCC(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])=O,0.0
50356,CO-ADD:0218756,1.72,c1(ccccc1N)C(=O)N\N=C(/C)\CC(=O)Nc2ccccc2CC,0.0
50357,CO-ADD:0166432,1.72,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)C(=O)Nc2ccccc2OCC,0.0
50358,CO-ADD:0166104,1.72,c1(Br)c(O)c(\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c(c(Br)c1O)C,0.0
50359,CO-ADD:0166723,1.72,C(C(OCC)=O)(C1c2ccccc2F)=C(c3ccccc3)OC(N)=C1C#N,0.0
50360,CO-ADD:0165988,1.72,c1(O)c(cccc1\C=N/NC(CCCc(ccc(c2C)O)c2)=O)OC,0.0
50361,CO-ADD:0166791,1.72,N1(c2ccc(cc2)NC(C)=O)C(=O)c3c(c(c4)C1=O)c(ccc3)cc4[N+](=O)[O-],0.0
50362,CO-ADD:0166288,1.72,C(=O)(N\N=C\c1c(cccc1F)Cl)C(=O)Nc(cc2)ccc2CC,0.0
50363,CO-ADD:0214954,1.72,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4\C=C\C(c5ccccc5)=O,0.0
50364,CO-ADD:0215642,1.72,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)C(NC)=O,0.0
50365,CO-ADD:0215403,1.72,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)OC(C)=C2C(OCC)=O,0.0
50366,CO-ADD:0215112,1.72,C(=C\Nc(cc1)ccc1S(=O)(=O)CCO)(/C2=O)\C(=O)NC(=S)N2,0.0
50367,CO-ADD:0215816,1.72,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1C)C(NCCO)=O,0.0
50368,CO-ADD:0215313,1.72,c1(C#N)c(c2ccccc2)c3c(nc1SCc4c(cccc4F)Cl)CCCC3,0.0
50369,CO-ADD:0215713,1.72,c(NNC(c1ccccc1)=O)(c2c3cccc2)c4c(n3)cccc4,0.0
50370,CO-ADD:0215753,1.72,C(=O)(C(NCCCO)=O)Nc1cccc(Cl)c1Cl,0.0
50371,CO-ADD:0165854,1.72,[C@@H]1(C[C@@H]2S\N=C\c(ccc([N+](=O)[O-])c3)c3)[C@@H](C1(C)C)C[C@H]2C,0.0
50372,CO-ADD:0166486,1.72,N(C(=O)c(cccc1C(=O)Nc2c(C)cc(cc2C)Br)c1)c3c(C)cc(cc3C)Br,0.0
50373,CO-ADD:0166086,1.71,c1(\C=N\NC(COc(ccc(c2C)C)c2)=O)c(OCC)ccc(cccc3)c13,0.0
50374,CO-ADD:0166406,1.71,C(=O)(N(C)c1ccccc1)C\C(\C)=N\NC(=O)c2cccc(F)c2,0.0
50375,CO-ADD:0165981,1.71,C(=O)(C\C(\C)=N\NC(COc(cc(C)c(c1)Br)c1Br)=O)Nc2cccc(cccc3)c23,0.0
50376,CO-ADD:0165991,1.71,N1(\N=C\c2c3c(cccc3)ccc2OC(=O)c4ccc(cc4)C)C(=O)c5c(cccc5)C1=O,0.0
50377,CO-ADD:0234564,1.71,C(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(C)=O,0.0
50378,CO-ADD:0236201,1.71,N12C(S\C(=C/c3ccccc3F)\C1=O)=C(C(c4ccccc4F)C(C#N)=C2N)C#N,0.0
50379,CO-ADD:0236548,1.71,c1(SC(C)C(OCC)=O)nc(c2ccccc2Cl)cc(c3ccccc3)c1C#N,0.0
50380,CO-ADD:0236852,1.71,C(c1ccc(cc1)Oc(ccc(c2C#N)C#N)c2)(c3ccc(cc3)Oc(ccc(c4C#N)C#N)c4)(CC5)CCC5(c6ccc(cc6)Oc(ccc(c7C#N)C#N)c7)c8ccc(cc8)Oc(ccc(c9C#N)C#N)c9,0.0
50381,CO-ADD:0231688,1.71,n1c2c(sc1c3ccc(cc3)\N=C\c4ccc(cc4Cl)Cl)ccc(C)c2,0.0
50382,CO-ADD:0227132,1.71,N1(c2ccc(cc2)Cl)C(=O)c(c(cc(c3C4=O)C(N4c5ccc(cc5)Cl)=O)C1=O)c3,0.0
50383,CO-ADD:0236840,1.71,N1(c2ccc(cc2C)C)C(=O)CC(N(CC3)CCN3c4ccccc4)C1=O,0.0
50384,CO-ADD:0236112,1.71,C1(C(OCC)=O)=C(C)NC(=S)NC1c2ccc(cc2)OCC(OCC)=O,0.0
50385,CO-ADD:0234053,1.71,C(=C\c(cc1)ccc1OC)/C(=O)c2ccc(cc2)I,0.0
50386,CO-ADD:0233367,1.71,C1(O)(C(C)CN(C(C)C1)C)c2c(C)cc(c(C)c2)C,0.0
50387,CO-ADD:0233187,1.71,N1(c2ccccc2[N+](=O)[O-])C(CC)=Nc(c3C1=O)cccc3,0.0
50388,CO-ADD:0233167,1.71,c(cc1C)(c2c(n1)cccc2)C(O)=O,0.0
50389,CO-ADD:0234241,1.71,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c3ccccc3Br,0.0
50390,CO-ADD:0234649,1.71,c1(oc(c2n1)ccc(c2)\N=C\c(cc(I)cc3I)c3O)c4c(O)cc(c5c4)cccc5,0.0
50391,CO-ADD:0234520,1.71,c1(N(CC2)CCO2)nc(N\N=C\c(cccn3)c3)nc(Nc4ccccc4)n1,0.0
50392,CO-ADD:0233203,1.71,c12n(ncn1)C(C=C(c3ccccc3)N2)c4ccccc4,0.0
50393,CO-ADD:0233140,1.71,N(N1)=C(c2ccccc2)c3c(N=C1c4ccccc4)cccc3,0.0
50394,CO-ADD:0227673,1.71,c1(nonc1N)\C(=N\OCC(OCC)=O)\Nc2ccc(cc2C)C,0.0
50395,CO-ADD:0231260,1.71,S(=O)(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\NC(=O)c3ccccc3O,0.0
50396,CO-ADD:0231241,1.71,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc3ccccc3OC,0.0
50397,CO-ADD:0229570,1.71,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(N)c3)n1,0.0
50398,CO-ADD:0231302,1.71,C(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\c3ccc(cc3C)C,0.0
50399,CO-ADD:0227140,1.71,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc(cc4)ccc4F,0.0
50400,CO-ADD:0231197,1.71,c1(C(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccc(cc3)C)c(O)cc(c4c1)cccc4,0.0
50401,CO-ADD:0220411,1.71,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c2cccc(OC)c2,0.0
50402,CO-ADD:0222769,1.71,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccccc2Br)=O)c3ccco3,0.0
50403,CO-ADD:0220355,1.71,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C/c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4O,0.0
50404,CO-ADD:0220152,1.71,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c2cc(C)ccc2O)c1,0.0
50405,CO-ADD:0219228,1.71,C(COc1cccc(C)c1)(=O)N\N=C\c2ccccc2OC,0.0
50406,CO-ADD:0219527,1.71,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc2cccc(cccc3)c23,0.0
50407,CO-ADD:0220572,1.71,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(CNc3ccccc3C)=O,0.0
50408,CO-ADD:0220655,1.71,c1(\C=N\NC(COc2ccc(cc2Br)C)=O)c(Br)cc(c(O)c1Br)Br,0.0
50409,CO-ADD:0220121,1.71,C(COc(cc1)ccc1Br)(=O)N\N=C\c(ccc(c2O)O)c2,0.0
50410,CO-ADD:0220112,1.71,[N+](=O)([O-])c1c(Cl)ccc(c1)NC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
50411,CO-ADD:0222664,1.71,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc2cccc(CCCC3)c23)Cl,0.0
50412,CO-ADD:0219351,1.71,C(CCC(=O)N\N=C\c(cc1)ccc1I)(=O)Nc2cccc(Cl)c2,0.0
50413,CO-ADD:0219331,1.71,C(=O)(Nc(cccc1C(=O)N\N=C\c2cccc(Br)c2)c1)c3ccccc3F,0.0
50414,CO-ADD:0222428,1.71,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)C(O)c2ccccc2)c3ccccc3I,0.0
50415,CO-ADD:0222212,1.71,c1(O)c(OCC)cc(cc1Br)\C=N\NC(CNc2cccc(cccc3)c23)=O,0.0
50416,CO-ADD:0222225,1.71,C(=N/NC(CNc1cccc(cccc2)c12)=O)(/c3c(N4C)cccc3)\C4=O,0.0
50417,CO-ADD:0218332,1.71,c1(ccccc1O)C(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
50418,CO-ADD:0218313,1.71,C(=O)(N\N=C\c1ccccc1)c(cccc2C(=O)N\N=C\c3ccccc3)c2,0.0
50419,CO-ADD:0166391,1.71,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccc(cc2)OC)c3ccccc3OC(C)=O,0.0
50420,CO-ADD:0214899,1.71,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc(cc4)ccc4OCC,0.0
50421,CO-ADD:0215582,1.71,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(=O)C(=O)Nc3ccccn3,0.0
50422,CO-ADD:0215622,1.71,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Oc2ccc(c3c2\C=N\NC(=O)c4ccc(cc4)C)cccc3,0.0
50423,CO-ADD:0214950,1.71,N1(c(cc2)ccc2C(=O)Nc(cccc3\C=C\C(c4ccccc4)=O)c3)C(=O)c(c5C1=O)ccc(c5)C(=O)Nc(cccc6\C=C\C(c7ccccc7)=O)c6,0.0
50424,CO-ADD:0215407,1.7,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)Oc4c2c(C)n[nH]4,0.0
50425,CO-ADD:0215482,1.7,[N+](=O)([O-])c1cc(ccc1C)\C=N\NC(CSCc(cc2)ccc2[N+](=O)[O-])=O,0.0
50426,CO-ADD:0165921,1.7,c1(cc(OC)ccc1NC(=O)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O)[N+](=O)[O-],0.0
50427,CO-ADD:0166198,1.7,c(\C=N\NC(c(cc1)ccn1)=O)(cc(I)cc2I)c2O,0.0
50428,CO-ADD:0165838,1.7,c1c(C)c(OC)cc(C(c2c(N)non2)=NC(C)(C)C3)c13,0.0
50429,CO-ADD:0166570,1.7,N1(\N=C\c(cc2)ccc2OC)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
50431,CO-ADD:0166267,1.7,C(=O)(c1cccs1)Nc2cc(C)ccc2OC,0.0
50432,CO-ADD:0166275,1.7,C(=O)(c1cccs1)Nc2cccc(Cl)c2C,0.0
50433,CO-ADD:0231422,1.7,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(ccc(c4Cl)OC)c4,0.0
50434,CO-ADD:0232831,1.7,N1(c2ccccc2)CC(CC1=O)C(=O)NC3CCCCC3,0.0
50435,CO-ADD:0231132,1.7,N1(CNc(ccc(c2C)C)c2)C(=O)\C(\SC1=O)=C\c(ccc(c34)OCO3)c4,0.0
50436,CO-ADD:0233603,1.7,C(c(ccc(c1)N(CC)CC)c12)(c3ccccc3C(O)=O)=C4C(O2)=C\C(=[N+](\CC)/CC)\C=C4.[Cl-],0.0
50437,CO-ADD:0233137,1.7,c1(SCC(=O)c2ccc(cc2)F)[nH]c(c3n1)cccc3,0.0
50438,CO-ADD:0234696,1.7,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccccc3I)OC,0.0
50439,CO-ADD:0234674,1.7,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)Br)OC(=O)c3cccc(F)c3,0.0
50440,CO-ADD:0233573,1.7,c1(c(C)cccc1C)OCC(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
50441,CO-ADD:0231766,1.7,c1(oc(c2n1)ccc(c2)\N=C\c(cc(I)cc3I)c3O)c4cccc(Cl)c4Cl,0.0
50442,CO-ADD:0227640,1.7,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2C)\C(N1c3ccc(cc3)OC)=O,0.0
50443,CO-ADD:0227655,1.7,n1(c2C)c(ncc2C(OCC)=O)cc(c3ccc(cc3)C)n1,0.0
50444,CO-ADD:0233339,1.7,N(CCC(OCC)=O)(C(C)C1)CC(C1=O)C.Cl,0.0
50445,CO-ADD:0234387,1.7,N(CC(=O)NNC(=O)C(F)(F)F)(c(cccc1)c12)c(cccc3)c3C2=O,0.0
50446,CO-ADD:0233318,1.7,C(=O)(c1ccccc1C)Nc(cc2)ccc2NC(=O)c3ccccc3C,0.0
50447,CO-ADD:0234275,1.7,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2cccc(cccc3)c23,0.0
50448,CO-ADD:0227829,1.7,S1(=O)(=O)c(cccc2)c2C(NC(C)(C)CC(C)(C)C)=N1,0.0
50449,CO-ADD:0227230,1.7,[N+](=O)([O-])c(ccc(c1NC(=O)c(cc2)ccc2C(=O)Nc(c(O)ccc3[N+](=O)[O-])c3)O)c1,0.0
50450,CO-ADD:0227111,1.7,c12c(c3c(cccc3)[nH]1)nnc(SCC(CSc(nnc(c45)c6c(cccc6)[nH]4)n5)=O)n2,0.0
50451,CO-ADD:0227539,1.7,c1(c(ccc(c1)[N+](=O)[O-])Oc(cc2)ccc2\C=N\c(ccc(c34)oc(c5cccc(I)c5)n3)c4)[N+](=O)[O-],0.0
50452,CO-ADD:0227891,1.7,N1(c2cccc(Br)c2)C(=O)C(C3C1=O)C(C=C4)C5C(=C(c6ccccc6)CC(C5C7=O)C(N7c8cccc(Br)c8)=O)C34,0.0
50453,CO-ADD:0229565,1.7,S(Cc1ccccc1)(NCCCNc(cc2)ccc2[N+](=O)[O-])(=O)=O,0.0
50454,CO-ADD:0219672,1.7,c1(c(Cl)ccc(Cl)c1)NC(CCC(=O)N\N=C\c(cc2)ccc2I)=O,0.0
50455,CO-ADD:0222089,1.7,[N+](=O)([O-])c1cccc(c1)\C=N\c2c(O)ccc(Cl)c2,0.0
50456,CO-ADD:0221899,1.7,S(=O)(=O)(c1ccc(c(Cl)c1)Cl)C(C)(C)CC(C)=O,0.0
50457,CO-ADD:0222592,1.7,C1(CC(OC12CCCCC2)=O)C(=O)NNC(N)=S,0.0
50458,CO-ADD:0222484,1.7,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\c(ccc(c3C(F)(F)F)Cl)c3)o2)Cl)c1,0.0
50459,CO-ADD:0222123,1.7,N1(c2ccccc2C(C)=O)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
50460,CO-ADD:0221011,1.69,C(COc1ccc(cc1OC)Br)(=O)N\N=C\C(\C)=C\c2ccccc2,0.0
50461,CO-ADD:0220538,1.69,c1(\C=N\NC(CNc2ccccc2C)=O)cc(Br)ccc1OC,0.0
50462,CO-ADD:0220707,1.69,c1(N(CC2)CCO2)nc(N\N=C\c(cc(Br)cc3Br)c3O)nc(Nc(cc4)ccc4C)n1,0.0
50463,CO-ADD:0219627,1.69,N1(C(=O)c2ccc(cc2)O)N=C(CC1(O)C(F)(F)F)CCCCCCCCCCCCCC,0.0
50464,CO-ADD:0226090,1.69,S(=O)(=O)(N(c1ccc(cc1)C)CC(=O)OC(C)(C)C)c2cccn(cnn3)c23,0.0
50465,CO-ADD:0226108,1.69,S(=O)(=O)(N(Cc(cc1)ccc1F)c2cc(C)cc(C)c2)c3cccn(cnn4)c34,0.0
50466,CO-ADD:0218196,1.69,C(=O)(N\N=C/c(cc1)ccc1OC)c2ccc(cc2)OC,0.0
50467,CO-ADD:0218644,1.69,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(ccc(c3OCC)OCc4ccccc4)c3,0.0
50468,CO-ADD:0218676,1.69,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c(cc3)ccc3OC(C)=O)c1,0.0
50469,CO-ADD:0218108,1.69,C(c(cc1)ccn1)(=O)N\N=C(/CC)\Cc2ccccc2,0.0
50470,CO-ADD:0237254,1.69,O=C(C1CCN(CC1)c2nnc(s2)n3cccc3)N4CCC(Cc5ccccc5)CC4,0.0
50471,CO-ADD:0237339,1.69,NCC(=O)N1CCn2c(C1)nc(c2Nc3ccc4OCOc4c3)c5ccccc5,0.0
50472,CO-ADD:0236866,1.69,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3c(cccn3)C,0.0
50473,CO-ADD:0231494,1.69,c1(oc(c2n1)ccc(c2)\N=C\c3c4c(cccc4)cc(cccc5)c35)c6ccc(cc6Cl)F,0.0
50474,CO-ADD:0237180,1.69,O=C1C(CC2CCC(C(C)(C)C)CC2)=C(C(C3=C1C=CC=C3)=O)O,0.0
50475,CO-ADD:0231389,1.69,c1(N2CCCCCC2)nc(N\N=C/c3ccccc3[N+](=O)[O-])nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
50476,CO-ADD:0166524,1.69,C(=O)(N\N=C\c1cccc(Br)c1)C(=O)Nc2cc(C)ccc2C,0.0
50477,CO-ADD:0166466,1.69,c1(I)ccc(\C=N\NC(=O)c2ccc(cc2)OCCCCCCCCCC)o1,0.0
50478,CO-ADD:0166110,1.69,c(\C=N\NC(CNC(=O)c(cc1OC)cc(c1OC)OC)=O)(cc(I)cc2I)c2O,0.0
50479,CO-ADD:0166728,1.69,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c3ccc(cc3)F,0.0
50480,CO-ADD:0165948,1.69,C(=O)(Nc1ccccc1)C\C(\C)=N/NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
50481,CO-ADD:0166456,1.69,N1(CNc2ccccc2)C(=O)\C(\SC1=O)=C\c(cc3)ccc3C(OC)=O,0.0
50482,CO-ADD:0222240,1.69,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(Cl)c2)=O)N3CCCCC3)c1,0.0
50483,CO-ADD:0220776,1.69,c1(O)c(Br)c(\C=N\NC(CNc2cccc(C)c2)=O)cc(Br)c1O,0.0
50484,CO-ADD:0222070,1.69,N1(NC(=O)Cc2cccc(cccc3)c23)C(=O)C(C4C1=O)C5C6C(C6)C4C=C5,0.0
50485,CO-ADD:0236606,1.69,c1(C#N)c(SCC(=O)NC2CC2)nsc1SCC(=O)NC3CC3,0.0
50486,CO-ADD:0233052,1.69,N1(c2c(N)ccc(Cl)c2)C(=O)c3c(C(c4ccccc4)=N1)cccc3,0.0
50487,CO-ADD:0236192,1.69,C(C#N)(C(c(cc1)ccc1[N+](=O)[O-])C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
50488,CO-ADD:0234801,1.69,N1C(SCC(=O)Nc2ccc(cn2)Cl)=NN=C(C)C1=O,0.0
50489,CO-ADD:0234780,1.69,c1(c2ccc(OCC(=O)Oc(ccc(c34)cccc3)c4)c1)OC(C=C2C)=O,0.0
50490,CO-ADD:0236296,1.69,c1(N(CC2)CCO2)nc(NCc3ccccc3)nc(N\N=C(/C)\c4ccc(cc4)NC(C)=O)n1,0.0
50491,CO-ADD:0233392,1.69,n(c1CCC)[nH]c(c1CC)CCC,0.0
50492,CO-ADD:0236388,1.68,n1c(c(cc2)ccc2c3ccccc3)csc1Nc(ccc(c4Cl)C)c4.Br,0.0
50493,CO-ADD:0234934,1.68,c12n(c3c(cccc3)n1)c(cc(C)c2C#N)Nc4cccc(N(C)C)c4,0.0
50494,CO-ADD:0234108,1.68,S(c1ccccc1)(=O)(=O)N(c2ccccc2)Cc(cc3)ccc3C(=O)NCc4ccccc4,0.0
50495,CO-ADD:0234061,1.68,c1(ccccc1Cl)C(=O)N\N=C(\C)/C(C)(C)C,0.0
50496,CO-ADD:0234043,1.68,[P+](c1ccccc1)(c2ccccc2)(c3ccccc3)c4cccc(N)c4.[I-],0.0
50497,CO-ADD:0236883,1.68,N1(C(=O)c2ccccc2N)C(O)(c3ccccc3)CC(C(F)(F)F)=N1,0.0
50498,CO-ADD:0233366,1.68,C(N)(=O)c(cc1)ccc1c2ccccc2,0.0
50499,CO-ADD:0234112,1.68,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4C(=O)C1=O,0.0
50501,CO-ADD:0229693,1.68,C(CNc1ccccc1OC)(=O)N\N=C\c(cc2)ccc2Br,0.0
50502,CO-ADD:0229680,1.68,S(=O)(=O)(c1ccc(cc1)Br)Nc(cccc2c3cn4c(cccc4)n3)c2,0.0
50503,CO-ADD:0227100,1.68,C(O1)(\C(\C2)=C\c(cc3)ccc3Cl)=C(CN2CC)C(C(C#N)=C1N)c4ccc(cc4)Cl,0.0
50504,CO-ADD:0227063,1.68,C(=O)(C(=O)NCC(C)C)Nc1ccc(cc1C)C,0.0
50505,CO-ADD:0227068,1.68,C(COc(cc1)ccc1Br)(=O)Nc(cc2)ccc2I,0.0
50506,CO-ADD:0222807,1.68,C(/C(OCC)=O)(\C(OCC)=O)=C/Nc1ccc(cn1)Cl,0.0
50507,CO-ADD:0220570,1.68,C(c1ccccc1)(=O)Oc2cc(ccc2OC(c3ccccc3)=O)\C=N\NC(CNc4ccccc4C)=O,0.0
50508,CO-ADD:0220113,1.68,[N+](=O)([O-])c1ccc(cc1)NC(=O)c(cc2)ccc2C(=O)Nc(cc3)ccc3[N+](=O)[O-],0.0
50509,CO-ADD:0222284,1.68,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C(\c2ccccc2)/CC(C)C,0.0
50510,CO-ADD:0219320,1.68,c(C#N)(c(SCC#N)nc(c1C#N)N)c1c2cccc(F)c2,0.0
50511,CO-ADD:0221884,1.68,[N+](=O)([O-])c1ccc(cc1)NC(Cc2cccc(Cl)c2)=O,0.0
50512,CO-ADD:0218895,1.68,c1(c(C)cc(cc1C)C)NC(=O)C\C(\C)=N\NC(Cc(cc2)ccc2OC)=O,0.0
50513,CO-ADD:0219734,1.68,[N+](=O)([O-])c1cccc(\C(\C)=N/NC(CSCc(cc2)ccc2Cl)=O)c1,0.0
50514,CO-ADD:0219705,1.68,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2Br,0.0
50515,CO-ADD:0219673,1.68,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(COc3ccc(cc3Cl)Cl)=O,0.0
50516,CO-ADD:0219507,1.68,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(=O)NC(C)C,0.0
50517,CO-ADD:0222774,1.68,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3ccco3,0.0
50518,CO-ADD:0226013,1.68,C1(=N2)N(C=CN=C1N3CCCC(C)C3)C(N2CC(=O)Nc(cc4)ccc4OCC)=O,0.0
50519,CO-ADD:0226566,1.68,c12n(C=CN(c3cccc(F)c3)C1=O)c(nn2)SCC(=O)Nc4cc(OC)cc(OC)c4,0.0
50520,CO-ADD:0218568,1.68,N(=C(/c1ccccc1)\C=C\c2ccccc2)/NC(c3ccccc3)=O,0.0
50521,CO-ADD:0218192,1.68,C(=O)(N\N=C\c1cccc(OC)c1)c2ccc(cc2)OC,0.0
50522,CO-ADD:0218664,1.68,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c(cc3)ccc3C(OC)=O)c1,0.0
50523,CO-ADD:0218120,1.68,C(=O)(C(c1ccccc1)c2ccccc2)N(CC3)CCN3c4ccccc4,0.0
50524,CO-ADD:0218659,1.68,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c(ccc(c3OC)C)c3)c1,0.0
50525,CO-ADD:0218148,1.68,S(Cc1ccccc1)(=O)(=O)CC(NCCc2ccccc2)=O,0.0
50526,CO-ADD:0225798,1.68,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4c(C)ccc(Cl)c4)=O,0.0
50527,CO-ADD:0226966,1.68,N1(c(ccs2)c2C(N3CCC(C)C)=O)C3=NN(CC(N)=O)C1=O,0.0
50528,CO-ADD:0226971,1.68,N1(c(ccs2)c2C(N3CC(C)C)=O)C3=NN(CC(N)=O)C1=O,0.0
50529,CO-ADD:0234815,1.68,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
50530,CO-ADD:0232859,1.68,N(=C1C)C(=N)C(=CN1CC(=O)c(cc2)ccc2[N+](=O)[O-])COCC.Br,0.0
50531,CO-ADD:0236159,1.68,C(/c1c(N2)cccc1)(=N/NC(C(C)SCc3ccccc3)=O)\C2=O,0.0
50532,CO-ADD:0236634,1.68,c1(OC(N)=C(C2c3cc(Br)ccc3F)C#N)c2c(nn1c4ccccc4)C,0.0
50533,CO-ADD:0236758,1.68,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc(cc2)ccc2OC)c3c(OC)ccc(OC)c3,0.0
50534,CO-ADD:0232940,1.68,C1(Nc(cc(cc2[N+](=O)[O-])C(O)=O)c2)OC(CO)C(C(O)C1O)O,0.0
50535,CO-ADD:0221036,1.68,c(c(Br)c1Br)c(NCC(=O)N\N=C\c2ccccc2)c(c1)Br,0.0
50536,CO-ADD:0221723,1.68,C(C(c1ccc(cc1)OCCCC)Nc(cc2)ccc2Br)C(=O)c3ccc(cc3)OC,0.0
50537,CO-ADD:0221783,1.68,C(=C/NCCCCCCCCCCCCCCCCCC)(/C(=O)NC(N1)=S)\C1=O,0.0
50538,CO-ADD:0219005,1.67,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])c1,0.0
50539,CO-ADD:0225228,1.67,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc(ccc(c45)OCO4)c5)C2=O,0.0
50540,CO-ADD:0231833,1.67,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4,0.0
50541,CO-ADD:0236680,1.67,c12c(nnc(SCC(=O)NC(C)c3ccccc3)n1)c4c(cccc4)n2CC,0.0
50542,CO-ADD:0236521,1.67,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cc3)cc(c3OC(=O)c(ccc(c45)OCO4)c5)OC,0.0
50543,CO-ADD:0231075,1.67,C(=O)(Nc(cc1)ccc1Cl)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
50544,CO-ADD:0231066,1.67,C(N(CCC)CCC)(=S)Oc(cc1)ccc1C(=O)Nc2ccccc2C,0.0
50545,CO-ADD:0236773,1.67,c1(nccn1Cc2ccccc2)Sc3ccccc3[N+](=O)[O-],0.0
50546,CO-ADD:0232998,1.67,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2)N3CCNC(C)C3,0.0
50547,CO-ADD:0231179,1.67,C(=O)(N\N=C(/C)\CC(=O)Nc(cc(C)cc1C)c1)C(=O)Nc(cc2)ccc2CC,0.0
50548,CO-ADD:0233064,1.67,C(c1ccccc1)(c2ccccc2)(c3c4cccc3)NC(=N4)C=C,0.0
50549,CO-ADD:0236625,1.67,c1(C#N)c(SCC(=O)NC2CC2)nc(cc1C(F)(F)F)c3cccs3,0.0
50550,CO-ADD:0230994,1.67,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(cc4)C#N,0.0
50551,CO-ADD:0233299,1.67,N1(CCCCCC(=O)Nc(cc2)c(C)cc2[N+](=O)[O-])C(=O)c(c3C1=O)cccc3,0.0
50552,CO-ADD:0234964,1.67,C(=O)(Oc1ccc(cc1I)\C=N\NC(COc2c(C)cccc2C)=O)c3ccco3,0.0
50553,CO-ADD:0233547,1.67,[N+](=O)([O-])c(cc1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)cc(c1OC(=O)c3ccc(cc3)Br)Br,0.0
50554,CO-ADD:0235995,1.67,[N+](=O)([O-])c1ccc(cc1)CC(NCCO)=O,0.0
50555,CO-ADD:0233513,1.67,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c3cccc(F)c3)=C\c4cccs4,0.0
50556,CO-ADD:0234124,1.67,C(=O)(N\N=C\c1ccccn1)c(cccn2)c2,0.0
50557,CO-ADD:0233736,1.67,C(=O)([C@H](CCC(N)=O)NC(C)=O)N(CC1)CCC1(C)c(ccn2)o2,0.0
50558,CO-ADD:0234334,1.67,[N+]1(CC(C)C)=C(C)C=C(N[B-]1(c2ccccc2)c3ccccc3)C(Cl)(Cl)Cl,0.0
50559,CO-ADD:0233377,1.67,C(=O)(c1ccc(cc1)N)Oc2ccccc2,0.0
50560,CO-ADD:0234699,1.67,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)c3ccccc3I,0.0
50561,CO-ADD:0233636,1.67,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)Cc2cccc(cccc3)c23)c4ccccc4Cl,0.0
50562,CO-ADD:0233149,1.67,c1(ccccc1NC(CCC(O)=O)=O)C(O)=O,0.0
50563,CO-ADD:0233764,1.67,N1(CCC[C@@H](C1)c(ccn2)o2)C(=O)c3cccc(OCCNC)c3.Cl,0.0
50564,CO-ADD:0229236,1.67,N1(CN(C(C)=O)c(ccc(c23)c4c(cccc4)o2)c3)C(=O)C(C(C(c5c6cccc5)c7c8cccc7)C1=O)C68,0.0
50565,CO-ADD:0227108,1.67,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCCN3CCCCC3)c4cccs4,0.0
50566,CO-ADD:0231188,1.67,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1OC)C(=O)Nc(cc2)ccc2CC,0.0
50567,CO-ADD:0227437,1.67,c1(NCC(=O)N\N=C\c2ccc(cc2O)O)c(Br)cc(cc1Br)Br,0.0
50568,CO-ADD:0227367,1.67,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c2ccc(cc2O)O,0.0
50569,CO-ADD:0220937,1.67,C(=N/NC(=O)c1ccc(cc1)Cl)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
50570,CO-ADD:0222790,1.67,n1c(O)cc(nc1N\N=C(/C)\C)C,0.0
50571,CO-ADD:0222101,1.67,C(=O)(c1cccc(c1)OCc2cccc(Cl)c2)Nc3cccc(cccc4)c34,0.0
50572,CO-ADD:0222171,1.67,c1(c(Br)cc(cc1\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)Br)OC(=O)c4cccc(F)c4,0.0
50573,CO-ADD:0222243,1.67,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(Cl)c2)=O)N3CCCCCC3)c1,0.0
50574,CO-ADD:0221926,1.67,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3O,0.0
50575,CO-ADD:0222044,1.67,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(\CC2(O3)CCCCC2)/C34CCCCC4)[N+](=O)[O-],0.0
50576,CO-ADD:0219497,1.67,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2OC)cc(c2O)Br,0.0
50577,CO-ADD:0218961,1.67,C(NCCOc1ccccc1)(=O)c(cc2)ccc2C(C)(C)C,0.0
50578,CO-ADD:0219655,1.67,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(\C)/CC(=O)Nc2ccccc2Cl,0.0
50579,CO-ADD:0219491,1.67,c1(Br)c(O)c(\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)cc(Br)c1O,0.0
50580,CO-ADD:0218303,1.67,c1(O)c(cc(cc1C(C)(C)C)CCC(OCCc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)=O)C(C)(C)C,0.0
50581,CO-ADD:0218415,1.67,N1(c2ccc(cc2)Br)C(=O)c3c(c(ccc4N(CC5)CCO5)C1=O)c4ccc3,0.0
50582,CO-ADD:0218258,1.66,C1(C2c(cc3)ccc3[N+](=O)[O-])=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
50583,CO-ADD:0218290,1.66,N(C(CCCc1ccccc1)=O)c2ccccc2OC,0.0
50584,CO-ADD:0218410,1.66,n1(N)c(C)nnc1N\N=C\c2ccc(cc2Cl)Cl.Cl,0.0
50585,CO-ADD:0226960,1.66,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(CC(=O)Nc(cc5)ccc5CC)C1=O,0.0
50586,CO-ADD:0226921,1.66,n(c1c(cccc1)nc2SCC(=O)N(CC3)CCN3c4ccccc4OC)(c(C(C)C)nn5)c25,0.0
50587,CO-ADD:0226163,1.66,S(=O)(=O)(N(Cc1cccc(OC)c1)c2ccc(cc2)CC)c3cccn(c(nn4)C)c34,0.0
50588,CO-ADD:0225808,1.66,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4ccccc4OCC)=O,0.0
50589,CO-ADD:0226206,1.66,S(=O)(=O)(N(c1ccccc1)Cc2ccccc2)c(ccc3n4c(CC)nn3)c4,0.0
50590,CO-ADD:0232911,1.66,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(NCCOc3ccccc3)=O,0.0
50591,CO-ADD:0231654,1.66,c1(oc(c2n1)cccc2)c3ccc(cc3O)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
50592,CO-ADD:0231441,1.66,C(CNc1ccccc1C)(=O)N\N=C\c(cc2)ccc2C,0.0
50593,CO-ADD:0236745,1.66,S(=O)(=O)(c1ccc(cc1)Br)Nc(cccc2c3csc(C)n3)c2,0.0
50594,CO-ADD:0231613,1.66,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
50595,CO-ADD:0221466,1.66,c1(cc(Br)ccc1O)C(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
50596,CO-ADD:0221725,1.66,c12c(ccc(O)c1C)\C(\CCC2)=N\NC(=O)c3cccc(F)c3,0.0
50597,CO-ADD:0221724,1.66,C(C(c1ccc(cc1)Br)Nc(cc2)ccc2F)C(=O)c3ccc(cc3)Cl,0.0
50598,CO-ADD:0221316,1.66,C1(=Cc(cccc2CC=C)c2OC1=O)C(=O)Nc3scc(c4ccccc4)n3,0.0
50599,CO-ADD:0220363,1.66,c1(cc(C)cc(I)c1O)\C=N\c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c4cc(C)cc(I)c4O,0.0
50600,CO-ADD:0220248,1.66,n1c2c(oc1c3cccc(c3)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-])cc(C)c(C)c2,0.0
50601,CO-ADD:0233292,1.66,c(C(O)=O)(cc1Br)c(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
50602,CO-ADD:0234702,1.66,C(=O)(Oc1cccc(c1)\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)c3ccccc3Br,0.0
50603,CO-ADD:0234615,1.66,N(\C(=C/c(cc1)ccc1I)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
50604,CO-ADD:0233417,1.66,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c3ccccc3Br,0.0
50605,CO-ADD:0234891,1.66,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3cccc(F)c3)=O,0.0
50606,CO-ADD:0234758,1.66,c1(NC(c2ccccc2)=O)sc3c(CCCC3O)c1C(OCC)=O,0.0
50607,CO-ADD:0234741,1.66,c1(\C(\C)=N\NC(=O)c2cccc(C)c2)oc(cc1C)C,0.0
50608,CO-ADD:0233556,1.66,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c3cccc(F)c3,0.0
50609,CO-ADD:0234454,1.66,n1(cnc(c(nc(N)n2)O)c12)C3OC(C(OC(C)=O)C3OC(C)=O)COC(C)=O,0.0
50610,CO-ADD:0234445,1.66,C(=O)(C(Cc1ccccc1)NC(OCc2ccccc2)=O)Nc3ccc(cc3C)C,0.0
50611,CO-ADD:0227590,1.66,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C/c(cc(Cl)cc4I)c4O,0.0
50612,CO-ADD:0233473,1.66,n1c2c(oc1c3ccc(cc3)\N=C\c4ccccc4O)cccc2C,0.0
50613,CO-ADD:0234368,1.66,[n+]1(C)c(\C=C\C=C(/C(C)(C)c(c23)cccc2)\N3C)cc(cc1c4ccc(cc4)Cl)c5ccc(cc5)Cl,0.0
50614,CO-ADD:0234159,1.66,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(=O)C3COc(c4O3)cccc4)Br,0.0
50615,CO-ADD:0234142,1.66,n1c2c(oc1c3cccc(c3)\N=C\c4cc(C)ccc4O)cccc2C,0.0
50616,CO-ADD:0236831,1.66,c1(Cl)c(cccc1NC(COc2c(C)cc(cc2C)C)=O)Cl,0.0
50617,CO-ADD:0227886,1.66,N1(CN2CCCCC2)N=C(OC1=S)c3ccccc3,0.0
50618,CO-ADD:0229237,1.66,N(c(cc1)ccc1OCC(c2ccccc2)=O)=Nc3ccccc3,0.0
50619,CO-ADD:0229742,1.66,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N/NC(COc3cccc(Cl)c3)=O,0.0
50620,CO-ADD:0227265,1.66,c1(cc(ccc1NC(C)=O)NC(C)=O)C(F)(F)F,0.0
50621,CO-ADD:0231739,1.66,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2cccc(Br)c2)N(CC(C)C)CC(C)C)c1,0.0
50622,CO-ADD:0227384,1.66,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O,0.0
50623,CO-ADD:0222831,1.66,N(=C\c(cc1)ccc1OC(=O)CC(c2ccccc2)c3ccccc3)/c4cc(C)ccc4C,0.0
50624,CO-ADD:0222781,1.66,c(\C=N\NC(COc1ccc(cc1C)C)=O)(cc(Br)cc2Br)c2OC,0.0
50625,CO-ADD:0222189,1.66,c1(c(Br)cc(cc1\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)Br)OC(=O)c4cccc(F)c4,0.0
50626,CO-ADD:0222641,1.66,c1(Cl)c(ccc(Cl)c1)OCC(=O)NC(C)C,0.0
50627,CO-ADD:0222466,1.66,C(F)(F)(C(F)(F)C(F)(F)F)C(F)(F)C1=CC(O)=Nc2c(cc(C)c(c2)C)N1,0.0
50628,CO-ADD:0220720,1.66,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(ccc(c2OC)OC)c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
50629,CO-ADD:0218959,1.66,C(CCc1ccccc1)(NCCOc2ccccc2)=O,0.0
50630,CO-ADD:0219725,1.65,c1(\C=N\NC(CCC(=O)Nc2cccc(Br)c2)=O)c(cccc1Cl)Cl,0.0
50631,CO-ADD:0219695,1.65,C(COc1cccc(Cl)c1)(=O)N\N=C\c(ccc(c2Br)OC)c2,0.0
50632,CO-ADD:0218955,1.65,N(=C\c1ccccc1I)/NC(CCC(=O)NCc2ccccc2)=O,0.0
50633,CO-ADD:0218577,1.65,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c2ccc(c(OC)c2)OC,0.0
50634,CO-ADD:0218800,1.65,c1(c(C)ccc(Cl)c1)NC(CCC(=O)NCc2ccccc2)=O,0.0
50635,CO-ADD:0218360,1.65,C(=O)(N\N=C\c1ccc(C)o1)c2cccc(Br)c2,0.0
50636,CO-ADD:0218296,1.65,N(/c1cccc(OC)c1)=C\c2ccccc2O,0.0
50637,CO-ADD:0225411,1.65,C1(=N2)N(C=Cn(nc(c3ccc(cc3)F)c4)c14)C(N2CC(=O)Nc5cccc(C)c5C)=O,0.0
50638,CO-ADD:0225780,1.65,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc(cc4)ccc4OC)=O,0.0
50639,CO-ADD:0225395,1.65,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)NCc5ccccc5Cl,0.0
50640,CO-ADD:0226900,1.65,n(c1c(cccc1)nc2SCC(=O)Nc3ccccc3F)(c(C(C)C)nn4)c24,0.0
50641,CO-ADD:0227653,1.65,N(c1ccc(cc1)Br)(C2)CN(CN2c3ccc(cc3)Br)c4ccc(cc4)Br,0.0
50642,CO-ADD:0232949,1.65,c1(OCC(=O)Nc2cccc(OC)c2)c(C)cc(cc1C)C,0.0
50643,CO-ADD:0234846,1.65,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc2cccc(C)c2)=O)c3cccc(F)c3,0.0
50644,CO-ADD:0229337,1.65,c12c(non1)nc(Nc(cc3)ccc3Br)c(N\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-])n2,0.0
50645,CO-ADD:0236173,1.65,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3CCO)C1=O,0.0
50646,CO-ADD:0231830,1.65,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(cc(I)cc4I)c4O,0.0
50647,CO-ADD:0221791,1.65,c1(ccccc1Br)C(=O)NCC(=O)N\N=C(\C)/Cc2ccccc2,0.0
50648,CO-ADD:0220020,1.65,C(=C(/C#N)\C#N)(/c1c2cccc1)\c3c2ccc(c3)[N+](=O)[O-],0.0
50649,CO-ADD:0221774,1.65,C(=N\NC(=O)c1ccc(cc1)OCCCCCCCCCC)(/c2c(N3)ccc(CC)c2)\C3=O,0.0
50650,CO-ADD:0219090,1.65,N(=C(/C)\c1ccc(cc1)C)/NC(=O)c2ccc(cc2)OCCCCCCCCCC,0.0
50651,CO-ADD:0220304,1.65,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C\c4cc(C)cc(I)c4O,0.0
50652,CO-ADD:0221551,1.65,C(Br)(Br)(c(cc1)ccc1[N+](=O)[O-])C(Br)(Br)c2ccccc2,0.0
50653,CO-ADD:0231524,1.65,c1(c(Br)cc(cc1\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3)Br)OC(=O)c4cccc(F)c4,0.0
50654,CO-ADD:0232847,1.65,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2Cl)N(CC3)CCN3CCO,0.0
50655,CO-ADD:0229479,1.65,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)c(C)cc3[N+](=O)[O-],0.0
50656,CO-ADD:0234046,1.65,[P+](c1ccccc1)(c2ccccc2)(c3ccccc3)CC(=O)c4ccc(cc4)N.OC(C(F)(F)F)=O,0.0
50657,CO-ADD:0231582,1.65,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2Cl)\C(N1c3ccc(c(C)c3)C)=O,0.0
50658,CO-ADD:0234277,1.65,C(=O)(NCC(=O)N\N=C\c(cc1)ccc1F)c2ccco2,0.0
50659,CO-ADD:0236519,1.65,c1(C(NN)=O)c(Cl)c(c2s1)ccc(OC)c2,0.0
50660,CO-ADD:0234098,1.65,c1(C(=O)NCc(ccc(c23)OCO2)c3)c(Cl)c4c(cccc4)s1,0.0
50661,CO-ADD:0236398,1.65,C(=O)(c1ccc(cc1)Cl)NCC(=O)OCC(=O)c2ccc(cc2)Br,0.0
50662,CO-ADD:0234120,1.65,o(c(c1ccccc1)nn2)c2c3ccccc3,0.0
50663,CO-ADD:0236915,1.65,N(C(=O)COc1ccc(cc1Cl)Cl)(c2c(C)cccc2C)C(=O)C(c3ccc(cc3)Cl)N(CC4)CCO4,0.0
50664,CO-ADD:0231778,1.65,c1(oc(c2n1)ccc(c2)\N=C\c(cccc3[N+](=O)[O-])c3)c4cccc(Cl)c4Cl,0.0
50665,CO-ADD:0229716,1.65,C(CNc1ccccc1C)(=O)N\N=C\c(ccc(c2OCC)O)c2,0.0
50666,CO-ADD:0227378,1.65,N(=C\c1cc(I)ccc1O)/c2c(O)ccc(Cl)c2,0.0
50667,CO-ADD:0227368,1.65,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\C(\C)=C\c(cc2)ccc2C(C)C,0.0
50668,CO-ADD:0229562,1.65,S(NCCCNc1ccc(cc1[N+](=O)[O-])Cl)(=O)(=O)c2ccc(cc2)Cl,0.0
50669,CO-ADD:0227067,1.65,n1c(c2ccc(cc2)Cl)cc(c3c1ccc(c34)cccc4)C,0.0
50670,CO-ADD:0229186,1.65,C(C#N)(C1c2ccccc2)=C(N)OC(C)=C1C(C)=O,0.0
50671,CO-ADD:0229695,1.65,N(=C(/CC)\c1ccccc1)/NC(CNc2cccc(cccc3)c23)=O,0.0
50672,CO-ADD:0227270,1.65,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc(ccc(c23)cccc2)c3)=O,0.0
50673,CO-ADD:0222756,1.65,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
50674,CO-ADD:0219425,1.64,c1(C)c(cccc1NC(CCC(=O)N\N=C\c2ccccc2F)=O)Cl,0.0
50675,CO-ADD:0220186,1.64,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c3cc(C)c(cc3O)C)[N+](=O)[O-],0.0
50676,CO-ADD:0220953,1.64,C(=N/NC(=O)c1ccccc1Br)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
50677,CO-ADD:0219401,1.64,C(=O)(N\N=C\c(cc1)ccc1I)C(=O)Nc(ccc(c23)cccc2)c3,0.0
50678,CO-ADD:0220929,1.64,c1(c(cccc1)c(c23)cccc2)C3C(=O)N\N=C\c4c5c(cccc5)cc(cccc6)c46,0.0
50679,CO-ADD:0222038,1.64,C(OCC)(=O)c1ccc(cc1)NC(COc2ccc(cc2Cl)Cl)=O,0.0
50680,CO-ADD:0220835,1.64,c(Nc1ccccc1)(nc(N\N=C\c2ccc(cc2Cl)Cl)nc3Nc(cc4)ccc4OC)n3,0.0
50681,CO-ADD:0220801,1.64,c1(ccccc1NC(c2ccccc2)=O)C(OCCCCCCCCCC)=O,0.0
50682,CO-ADD:0221924,1.64,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)cc(c2NC(=O)c(cccc3C(=O)Nc4ccc(cc4Cl)NC(=O)c(cc5)ccc5[N+](=O)[O-])c3)Cl,0.0
50683,CO-ADD:0219619,1.64,[N+](=O)([O-])c(cc(N)cc1C(=O)N\N=C(/C)\CC(=O)Nc2ccccc2Br)c1,0.0
50684,CO-ADD:0220445,1.64,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(cc3)ccc3C(O)=O,0.0
50685,CO-ADD:0226085,1.64,S(=O)(=O)(N(Cc(cc1)ccc1F)c2cccc(C)c2)c3cccn(c(nn4)C)c34,0.0
50686,CO-ADD:0226087,1.64,S(=O)(=O)(N(Cc(ccc1C(OC)=O)o1)c2cccc(C)c2)c3cccn(c(nn4)C)c34,0.0
50687,CO-ADD:0226062,1.64,C1(=N2)N(C=CN=C1N3CC(C)CC(C)C3)C(N2CC(=O)Nc4ccc(cc4F)C)=O,0.0
50688,CO-ADD:0226032,1.64,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc(c(Cl)ccc4C(F)(F)F)c4)=O,0.0
50689,CO-ADD:0218320,1.64,N1=C(c2ccccc2)CC(c3ccccc3)N1c4ccccc4,0.0
50690,CO-ADD:0225796,1.64,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4ccc(cc4F)Cl)=O,0.0
50691,CO-ADD:0226142,1.64,S(=O)(=O)(N(Cc1cccc(C)c1)c2cccc(Cl)c2)c3cccn(c(nn4)CC)c34,0.0
50692,CO-ADD:0226940,1.64,C1(=N2)N(c3c(cccc3)N=C1N(CC4)CCO4)C(N2CC(=O)Nc5ccccc5Br)=O,0.0
50693,CO-ADD:0226400,1.64,n(c1c(cccc1)nc2SCC(=O)Nc(cc3)ccc3CCCC)(c(C(C)C)nn4)c24,0.0
50694,CO-ADD:0233228,1.64,n1c(c(cc2)ccc2[N+](=O)[O-])[nH]nc1c3ccccc3,0.0
50695,CO-ADD:0232877,1.64,n1c(c2ccccc2)ccc(C#N)c1SCC(c3ccccc3)=O,0.0
50696,CO-ADD:0230903,1.64,C1(C#N)(C#N)[C@H](c(cc2OC)cc(c2OC)OC)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(c5ccccc5)=O,0.0
50697,CO-ADD:0234824,1.64,c1(OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3cccc(Br)c3)OC)c(Br)cc(cc1Br)Br,0.0
50698,CO-ADD:0233101,1.64,c(c1)(c(N)nc(N)c1[N+](=O)[O-])[N+](=O)[O-],0.0
50699,CO-ADD:0230971,1.64,C(C(=O)CSc1nc(C)cc(C)n1)(=C(C)NC2=O)N2,0.0
50700,CO-ADD:0222099,1.64,N1(c2ccc(cc2)Cl)C(=O)c3c(c4C1=O)c(c5cc3)c(cc4)CC5,0.0
50701,CO-ADD:0219056,1.64,C(=O)(c1ccc(cc1)Cl)N\N=C(/Cc2ccccc2)\Cc3ccccc3,0.0
50702,CO-ADD:0220011,1.64,C(CCCCCCCCCCCCCCC)(NCCSCCCCCCCCCCCCCCCCCC)=O,0.0
50703,CO-ADD:0220306,1.64,n1c2c(oc1c3ccc(cc3)C)ccc(c2)\N=C\c4cc(C)cc(I)c4O,0.0
50704,CO-ADD:0218996,1.64,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c2ccccc2O)c1,0.0
50705,CO-ADD:0221344,1.64,N1(CCc2ccccc2)C(=O)CN(CC1=O)CCc3ccccc3,0.0
50706,CO-ADD:0236699,1.64,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2F)\C(N1CC(C)C)=O,0.0
50707,CO-ADD:0230951,1.64,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(cc3OC)OC)=C(O)C(N2CCCO)=O,0.0
50708,CO-ADD:0233218,1.64,c1(ccccc1OCC)C(NCCCC(O)=O)=O,0.0
50709,CO-ADD:0234617,1.64,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2Cl)=O)c(cc3OC)cc(c3OC)OC,0.0
50710,CO-ADD:0236415,1.64,N1(c2ccc(cc2)Oc3ccccc3)C(=O)c4c(cc(c(Cl)c4)Cl)C1=O,0.0
50711,CO-ADD:0233604,1.64,N1=C2N(C(c3ccccc3)CC1(O)c4ccccc4)CCS2,0.0
50712,CO-ADD:0233196,1.64,C(NCCOc1ccccc1)(C2CCCCC2)=O,0.0
50713,CO-ADD:0233189,1.64,c1(S(CCC)(=O)=O)c(C(OC)=O)n2c(cccc2)c1S(CCC)(=O)=O,0.0
50714,CO-ADD:0229932,1.64,c1(cc(ccc1OCCCC(O)=O)CC(C)(C)C)CC(C)(C)C,0.0
50715,CO-ADD:0227078,1.64,N1(c(cc2)ccc2C(=O)OCC(=O)Nc(cc3)ccc3C(OC)=O)C(=O)CCC1=O,0.0
50716,CO-ADD:0229410,1.64,C1(N)=C(NCCCN(CC2)CCN2C)c3c(cccc3)OC1=O,0.0
50717,CO-ADD:0227818,1.64,c1(nonc1N)\C(=N\OCc2ccc(cc2Cl)Cl)\Nc3ccccc3,0.0
50718,CO-ADD:0227804,1.64,c1(C(c2ccccc2)=O)sc3c(c(C)cc(C)n3)c1N,0.0
50719,CO-ADD:0227724,1.64,c1([nH]nc(c2cccc(C)c2)n1)[N+](=O)[O-],0.0
50720,CO-ADD:0229425,1.64,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c2ccc(cc2OC)OC)c3ccccc3Br,0.0
50721,CO-ADD:0231740,1.64,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(\CC)/NCCO)[N+](=O)[O-],0.0
50722,CO-ADD:0227385,1.64,[N+](=O)([O-])c1ccc(cc1O)\C=N/NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O,0.0
50723,CO-ADD:0227347,1.64,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3cc(Br)ccc3OC,0.0
50724,CO-ADD:0227094,1.64,C(O1)(\C(\C2)=C\c3ccccc3)=C(CN2CC)C(C(C#N)=C1N)c4ccccc4,0.0
50725,CO-ADD:0227922,1.63,[N+](=O)([O-])c1ccc(cc1)N\N=C\c(ccc2c(ccc(c3Cl)F)c3)o2,0.0
50726,CO-ADD:0227819,1.63,c(c(\C=C\c1ccccc1C(OC)=O)nc(n2)O)([N+](=O)[O-])c2O,0.0
50727,CO-ADD:0221206,1.63,n1c2c(cccc2)ccc1SCC(=O)N\N=C\c3ccc(cc3O)O,0.0
50728,CO-ADD:0219122,1.63,C1(\N=C\c2cc(cc(OC)c2O)N=Nc(cc3)ccc3[N+](=O)[O-])=C(C)N(N(c4ccccc4)C1=O)C,0.0
50729,CO-ADD:0221133,1.63,C(=O)(NC(c1ccc(cc1Cl)Cl)C(=O)NC(c2ccccc2)c3ccccc3)c(c4c5cccc4)cc(n5)c6ccccc6,0.0
50730,CO-ADD:0219311,1.63,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3Cl)nc(Nc(cc4)ccc4OC)n1,0.0
50731,CO-ADD:0221838,1.63,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C23CCCC3,0.0
50732,CO-ADD:0219785,1.63,S(c1ccccc1)(=O)(=O)N(c2cccc(C)c2)CC(=O)N\N=C\c(cc3)ccc3OC(c4ccccc4)=O,0.0
50733,CO-ADD:0222010,1.63,C(=O)(c1ccc(cc1)OCCOCCOc(cc2)ccc2C(=O)NNC(CCCCCCCCCCC)=O)NNC(CCCCCCCCCCC)=O,0.0
50734,CO-ADD:0221959,1.63,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(=O)Nc(cc2)ccc2CCCC,0.0
50735,CO-ADD:0222222,1.63,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(=O)Cc3ccc(c(cccc4)c34)Br,0.0
50736,CO-ADD:0219536,1.63,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)NC(C)C,0.0
50737,CO-ADD:0226045,1.63,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(NCCc(ccc(c4OC)OC)c4)=O)=O,0.0
50738,CO-ADD:0218749,1.63,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(Cc(cc2)ccc2O)C(=O)N\N=C\c(ccc(c3OC)OCc(cc4)ccc4Br)c3)c1,0.0
50739,CO-ADD:0218765,1.63,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1CC)c2cccc(cccc3)c23,0.0
50740,CO-ADD:0218269,1.63,[N+](=O)([O-])c(cccc1C(=O)O\N=C(/N)\Cc2ccccc2)c1,0.0
50741,CO-ADD:0225759,1.63,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc4ccccc4OC)=O,0.0
50742,CO-ADD:0226201,1.63,S(=O)(=O)(N(c1ccccc1)Cc(cc2)ccc2C)c(ccc(n3c4)nn4)c3,0.0
50743,CO-ADD:0226127,1.63,S(=O)(=O)(N(Cc(cc1)ccc1C=C)c2ccc(c(F)c2)F)c3cccn(cnn4)c34,0.0
50744,CO-ADD:0226161,1.63,S(=O)(=O)(N(Cc(cc1)ccc1C)c2ccc(cc2)CC)c3cccn(c(nn4)C)c34,0.0
50745,CO-ADD:0225810,1.63,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4cccc(SC)c4)=O,0.0
50746,CO-ADD:0234825,1.63,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N\NC(CNc3cccc(C)c3)=O)Br,0.0
50747,CO-ADD:0231393,1.63,c1(N2CCCCCC2)nc(N\N=C/c(cccn3)c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
50748,CO-ADD:0231032,1.63,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1Br)C)=O)Nc2ccccc2Cl,0.0
50749,CO-ADD:0236583,1.63,N12C(S\C(=C/c(cc3)ccc3CC)\C1=O)=C(C(c4ccc(cc4)CC)C(C(OCC)=O)=C2N)C#N,0.0
50750,CO-ADD:0228996,1.63,[C@@]1(C)(CC2)C(C[C@@H](SS[C@@H](CC3[C@@]4(C)CCC5C3CC=C([C@]56C)CC(CC6)O)C4C(C)=O)C1C(C)=O)C(C27)CC=C(CC(O)CC8)[C@@]78C,0.0
50751,CO-ADD:0227672,1.63,N1(c(cc2)ccc2C(OCC)=O)C(=O)c(c(cc(c3C4=O)C(N4c(cc5)ccc5C(OCC)=O)=O)C1=O)c3,0.0
50752,CO-ADD:0221259,1.63,C(/C(C)=NN1)(=N\Nc(cc2)ccc2C(=O)Nc(cc3)ccc3N\N=C(\C(C)=NN4)/C4=O)\C1=O,0.0
50753,CO-ADD:0221296,1.63,c1(cc(c(SCC)s1)C=O)[N+](=O)[O-],0.0
50754,CO-ADD:0221314,1.63,N1(c2ccccc2c3ccccc3)C(=O)c4c(cc(cc4)Oc(cc5)ccc5Oc(cccc6C(O)=O)c6)C1=O,0.0
50755,CO-ADD:0221515,1.63,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
50756,CO-ADD:0221773,1.63,c1(c2ccc(cc2Cl)Cl)nnc(SCC)o1,0.0
50757,CO-ADD:0219472,1.63,c1(O)c(Br)c(\C=N\NC(COc(ccc(c23)cccc2)c3)=O)cc(Br)c1O,0.0
50758,CO-ADD:0233213,1.63,P(OCC)(OCC)(=S)N(c1ccccc1)\C(\c2ccccc2)=C/SC,0.0
50759,CO-ADD:0233284,1.63,C(=O)(c1cccc(I)c1)Nc2ccccc2NC(=O)c3cccc(I)c3,0.0
50760,CO-ADD:0236784,1.63,C1(C(N)=O)=Cc2c(OC1=O)ccc(OC)c2,0.0
50761,CO-ADD:0234156,1.63,n1c2c(oc1c3ccc(cc3)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4)cccc2C,0.0
50762,CO-ADD:0234584,1.63,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(COc3c(Br)cc(cc3Br)Br)=O)Br,0.0
50763,CO-ADD:0233774,1.63,N(CCC[C@@H]1c(ccn2)o2)(C1)C(CCCN)=O.Cl,0.0
50764,CO-ADD:0236012,1.63,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccc(cc2)NC(=O)C(F)(F)F)Nc3sccn3,0.0
50765,CO-ADD:0236449,1.63,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3c(cccc3Cl)F)c4nonc4N,0.0
50766,CO-ADD:0228993,1.63,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2cccc(F)c2,0.0
50767,CO-ADD:0227644,1.62,C(N(CCC)CCC)(=S)Oc(cccc1C(=O)Nc(cc2)ccc2Cl)c1,0.0
50768,CO-ADD:0229052,1.62,[N+](=O)([O-])c1cccc(c1)\C=N\CCc(cc2)ccn2,0.0
50769,CO-ADD:0227723,1.62,C(=N/NC(=O)c1cc(n[nH]1)C)(/c2c(N3)ccc(C)c2)\C3=O,0.0
50770,CO-ADD:0229862,1.62,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(=O)N(CC3)CCO3)=S,0.0
50771,CO-ADD:0229909,1.62,N(c1c(C)cccc1C)C(=O)c2ccc(cc2)Cl,0.0
50772,CO-ADD:0229287,1.62,n1(c2c(nc1COc3ccc(cc3Cl)Cl)cccc2)S(=O)(=O)c4ccc(cc4)Cl,0.0
50773,CO-ADD:0229183,1.62,c1(C#N)c(c2ccccc2)cc(nc1SC)c3ccccc3,0.0
50774,CO-ADD:0229356,1.62,c1(SCC=C)sc2c(ccc(c2)\N=C\c(ccc3Br)o3)n1,0.0
50775,CO-ADD:0227469,1.62,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(Br)cc(Br)c2OC(c3ccccc3)=O)=C/c4cccs4,0.0
50776,CO-ADD:0220979,1.62,n(Cc1ccccc1)(c2c(c3\C=N\NC(=O)c(ccc(c4Br)O)c4)cccc2)c3C,0.0
50777,CO-ADD:0219766,1.62,C(=O)(c1ccc(cc1)NC(C)=O)N\N=C(/C)\C,0.0
50778,CO-ADD:0220211,1.62,N(=C1c(cc2)ccc2[N+](=O)[O-])\C(\C(O1)=O)=C/c3c(OCC)ccc(cccc4)c34,0.0
50779,CO-ADD:0222505,1.62,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(cc3)ccc3OCC,0.0
50780,CO-ADD:0222385,1.62,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c(ccc(c23)OCCO2)c3,0.0
50781,CO-ADD:0222119,1.62,c1(c(C)oc(c2ccccc2)c1)C(=O)Nc(cc3)ccc3OCCCCCCCC,0.0
50782,CO-ADD:0220437,1.62,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(cc3)ccc3N(C)C,0.0
50783,CO-ADD:0220807,1.62,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccccc2C)=O)N(C)CCCC)c1,0.0
50784,CO-ADD:0221929,1.62,N1(NC(=O)c2ccc(cc2)O)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
50785,CO-ADD:0221922,1.62,N1(C(=O)CC(NC(=O)c(cccc2NC(=O)c(cc3)ccc3[N+](=O)[O-])c2)=N1)c4c(Cl)cc(cc4Cl)Cl,0.0
50786,CO-ADD:0226096,1.62,S(=O)(=O)(N(Cc(cc1F)cc(c1)F)c2cccc(F)c2)c3cccn(c(nn4)CC)c34,0.0
50787,CO-ADD:0226505,1.62,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(N)=O,0.0
50788,CO-ADD:0226537,1.62,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)c4ccc(cc4)OCC,0.0
50789,CO-ADD:0225249,1.62,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc(cc4)ccc4CC)C2=O,0.0
50790,CO-ADD:0218260,1.62,c1(\C=N\O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
50791,CO-ADD:0218388,1.62,c1(nnc(CC)n1\N=C\c2ccccc2)n3c(c4ccccc4)cc(c5ccccc5)n3,0.0
50792,CO-ADD:0218300,1.62,c1(c(ccc(c1)[N+](=O)[O-])NN=C)[N+](=O)[O-],0.0
50793,CO-ADD:0218308,1.62,c1(ccccc1O)C(=O)N\N=C\c(cc2)ccc2Br,0.0
50794,CO-ADD:0218795,1.62,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(Cc2ccccc2)=O,0.0
50795,CO-ADD:0226909,1.62,n(c1c(cccc1)nc2SCC(=O)Nc(cccc3C(OCC)=O)c3)(c(C(C)C)nn4)c24,0.0
50796,CO-ADD:0225784,1.62,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4cccc(SC)c4)=O,0.0
50797,CO-ADD:0221033,1.62,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc2cccc(Br)c2,0.0
50798,CO-ADD:0226188,1.62,S(=O)(=O)(N(c1ccc(cc1)Cl)Cc2ccccc2C)c3cccn(c(nn4)C)c34,0.0
50799,CO-ADD:0236457,1.62,n(c1C)(nnc1C(=O)N\N=C(/C)\c2ccc(cc2)OC)c3nonc3N,0.0
50800,CO-ADD:0231408,1.62,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4cc(Br)cc(OC)c4O,0.0
50801,CO-ADD:0231511,1.62,c(cc(\C=N\c(ccc(c1n2)oc2c3ccc(cc3Cl)F)c1)c(c4[N+](=O)[O-])O)([N+](=O)[O-])c4O,0.0
50802,CO-ADD:0221640,1.62,C(OCCCCCCC)(=O)Nc(cc1)ccc1I,0.0
50803,CO-ADD:0218993,1.62,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(ccc(c2OC)OC)c2)c1,0.0
50804,CO-ADD:0221270,1.62,c1(C(OCC)=O)c(cc(OC)cc2)c2n(CCC(O)=O)c1C,0.0
50805,CO-ADD:0221616,1.62,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(=S)Nc3ccccc3,0.0
50806,CO-ADD:0219029,1.62,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c(c2C)c(C)c(c(C)c2[N+](=O)[O-])[N+]([O-])=O,0.0
50807,CO-ADD:0221399,1.62,n1(CC)c2c(c(cc(cc3)NC(=O)c4ccc(cc4)F)c13)cccc2,0.0
50808,CO-ADD:0236022,1.62,N1(COC(CSc(nnc(c23)c4c(cccc4)[nH]2)n3)=O)C(=O)c5c(cccc5)C1=O,0.0
50809,CO-ADD:0234572,1.62,c1(c(Br)cc(cc1\C=N\NC(COc(ccc(c2C)C)c2)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
50810,CO-ADD:0234567,1.62,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(c(C)ccc2[N+](=O)[O-])c2,0.0
50811,CO-ADD:0231071,1.62,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)NCC(NCCCCCC)=O,0.0
50812,CO-ADD:0231549,1.61,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c4ccccc4Cl,0.0
50813,CO-ADD:0229068,1.61,C(=O)(c1ccc(cc1)F)Nc(cccc2C(=O)N\N=C\c(cc(Br)cc3Br)c3O)c2,0.0
50814,CO-ADD:0236137,1.61,C(C#N)(C(c1ccccc1)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
50815,CO-ADD:0236031,1.61,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccccc2I)Nc3nc(C)cc(C)n3,0.0
50816,CO-ADD:0236120,1.61,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(\c3c4cccc3)/c5c4cccc5)c6nonc6N,0.0
50817,CO-ADD:0236052,1.61,C1(CCCC2)C2C1C(=O)N\N=C/c3cccc(Cl)c3,0.0
50818,CO-ADD:0236061,1.61,N1(\N=C\c(cc2OC)cc(c2OC)OC)C(=O)c3c(cccc3)C1=O,0.0
50819,CO-ADD:0229908,1.61,N(C(=O)c1ccc(cc1)Cl)c2sccn2,0.0
50820,CO-ADD:0227515,1.61,c1(c2ccc(cc2)Br)ccc(\C=N/NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O)o1,0.0
50821,CO-ADD:0229644,1.61,N1(CNc2ccccc2C)C(=O)\C(\SC1=O)=C\c3ccccc3,0.0
50822,CO-ADD:0229126,1.61,C(=O)(Nc(cccc1C(=O)N\N=C\c(cc2OC)cc(c2O)I)c1)c3ccccc3F,0.0
50823,CO-ADD:0229534,1.61,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/NNC(c3ccccc3)=O,0.0
50824,CO-ADD:0229177,1.61,S(=O)(=O)(Oc1ccccc1)c2ccccc2\C=C(\C3=O)/N=C(O3)c4ccccc4,0.0
50825,CO-ADD:0220282,1.61,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(CNc2cccc(C)c2)=O,0.0
50826,CO-ADD:0219735,1.61,C(c(cccc1NC(CCCCCCCCCCC)=O)c1)#C,0.0
50827,CO-ADD:0219684,1.61,C(=O)(N\N=C([H])\c1ccccc1OCCCC)CN(C)c2ccccc2,0.0
50828,CO-ADD:0221918,1.61,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3c4ccc(cc4)N\C=C(/C(C)=NN5c6ccccc6C)\C5=O,0.0
50829,CO-ADD:0220507,1.61,[N+](=O)([O-])c(cc1)cc(c1N2CCCCC2CC)\C=N\NC(COc3ccc(cc3Cl)Cl)=O,0.0
50830,CO-ADD:0219790,1.61,C(N)(=O)N\N=C(/C)\C=C\c1ccco1,0.0
50831,CO-ADD:0221995,1.61,N(=C(/C)\c1ccc(c2c1)cccc2)/NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
50832,CO-ADD:0222433,1.61,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(=O)c(ccc(n3)C)c3)[N+](=O)[O-],0.0
50833,CO-ADD:0220379,1.61,c1(\C=N\NC(CNc2cccc(C)c2)=O)cc(Br)cc(C)c1O,0.0
50834,CO-ADD:0226585,1.61,c12n(C=CN(c3ccc(c(C)c3)C)C1=O)c(nn2)SCC(=O)N(CC4)CCN4c5ccc(cc5)F,0.0
50835,CO-ADD:0225970,1.61,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4onc(c5ccc(c(OC)c5)OC)n4)C2=O,0.0
50836,CO-ADD:0226571,1.61,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)c4ccc(c(OC)c4)OC,0.0
50837,CO-ADD:0226867,1.61,C1(=N2)N(c3c(cccc3)N=C1N(CC4)CCS4)C(N2CC(=O)Nc5c(C)cccc5C)=O,0.0
50838,CO-ADD:0217859,1.61,S(NCCCN(C)C)(=O)(=O)c(ccc(c1[N+](=O)[O-])C)c1.Cl,0.0
50839,CO-ADD:0218468,1.61,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2ccc(cc2O)O,0.0
50840,CO-ADD:0218476,1.61,C(c1ccccc1)(=O)NC(C)C(=O)N\N=C\c2ccccc2,0.0
50841,CO-ADD:0217908,1.61,[N+](=O)([O-])c(cc1)ccc1C(OCCNC(CCCCCC(NCCOC(=O)c(cc2)ccc2[N+](=O)[O-])=O)=O)=O,0.0
50842,CO-ADD:0218500,1.6,C(NCCOc1ccccc1C)(=O)c2ccc(cc2)OCCCC,0.0
50843,CO-ADD:0217980,1.6,N1(c2ccc(cc2)Br)CC(CC1=O)C(OC)=O,0.0
50844,CO-ADD:0221438,1.6,c1(CN(CCOc2ccccc2)C3CCCCC3)[nH]c(c4n1)cccc4,0.0
50845,CO-ADD:0221726,1.6,N(/NC(=O)Cc1cccc(cccc2)c12)=C(\CC3)/c4c(C3)cc(OC)cc4,0.0
50846,CO-ADD:0221737,1.6,C(C)(C)(CC(C)(C)C)c1ccc(cc1)OCC(=O)N\N=C\C=C\C,0.0
50847,CO-ADD:0221792,1.6,N(=C(\C)/C(C)CC)/NC(CNC(=O)c1ccc(cc1)Cl)=O,0.0
50848,CO-ADD:0219016,1.6,[N+](=O)([O-])c1ccc(cc1)\C=N\c2ccccc2C#N,0.0
50849,CO-ADD:0221040,1.6,c(c(Br)c1Br)c(NCC(=O)N\N=C\c(ccc(c2OC)OC)c2)c(c1)Br,0.0
50850,CO-ADD:0221671,1.6,c(cc(C)c(c1[N+](=O)[O-])C)([N+](=O)[O-])c1NC(CC)CC,0.0
50851,CO-ADD:0221324,1.6,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCN3c4ncccn4)C1=O,0.0
50852,CO-ADD:0219004,1.6,c1(C(=O)N\N=C\c2ccccc2F)c(O)cc(c3c1)cccc3,0.0
50853,CO-ADD:0221559,1.6,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
50854,CO-ADD:0234601,1.6,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(COc3ccccc3C#N)=O,0.0
50855,CO-ADD:0231551,1.6,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(COc3cccc(C)c3)=O,0.0
50856,CO-ADD:0231064,1.6,C(N(CC=C)CC=C)(=S)Oc(cc1)ccc1C(=O)Nc2ccccc2C,0.0
50857,CO-ADD:0233465,1.6,n1c2c(oc1c3ccc(cc3)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])OC)cccc2C,0.0
50858,CO-ADD:0236594,1.6,C(C#N)(C1c(cc2)ccc2N3CCCC3)=C(N)OC(CC(C)(C)CC4=O)=C14,0.0
50859,CO-ADD:0236682,1.6,c1(NC(COC(=O)C(CCSC)NC(c2ccccc2)=O)=O)sc(c3c1C#N)CCCC3,0.0
50860,CO-ADD:0236401,1.6,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(cc3)ccc3O)\C1=O)=O,0.0
50861,CO-ADD:0234800,1.6,c1(SCC(=O)Nc2ccc(cn2)Cl)oc(c3n1)cccc3,0.0
50862,CO-ADD:0234500,1.6,n1(CC(=O)N\N=C\c(c2)c(N3CCCCC3)cc(N4CCCCC4)c2[N+](=O)[O-])nnnc1c5ccccc5,0.0
50863,CO-ADD:0233665,1.6,C(Br)(C(OC)=O)(C(OC)=O)C(c1ccccc1)C[N+](=O)[O-],0.0
50864,CO-ADD:0236028,1.6,c1(NC(CSC2=NN=C(C(=O)N2)C)=O)sc(c3c1C#N)CCCC3,0.0
50865,CO-ADD:0234351,1.6,c1(C)n(C2CCCCC2)c(c3n1)ccc(c3)C(O)=O,0.0
50866,CO-ADD:0236536,1.6,N1(c(ccc(c2C(O)=O)O)c2)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
50867,CO-ADD:0234052,1.6,C(=C\c(cc1)ccc1F)/C(=O)c2ccc(cc2)F,0.0
50868,CO-ADD:0231653,1.6,c1(OCC(=O)N\N=C\c2cccc(C)c2O)c(OC)cc(cc1Br)Br,0.0
50869,CO-ADD:0233678,1.6,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)c2ccc(cc2)I,0.0
50870,CO-ADD:0227489,1.6,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(Cl)ccc2O)=C/c3cccs3,0.0
50871,CO-ADD:0227473,1.6,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C/c(cc(OCO4)c4c5)c5Br,0.0
50872,CO-ADD:0229428,1.6,C(=O)(N\N=C\c(cccn1)c1)c(cccc2C(=O)N\N=C\c(cccn3)c3)c2,0.0
50873,CO-ADD:0227490,1.6,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccc(cc3)Br)=C/c4cccs4,0.0
50874,CO-ADD:0229904,1.6,n1c(c(cc2)ccc2N(C)C)[nH]c(c3ccccc3)c1c4ccccc4,0.0
50875,CO-ADD:0229267,1.6,c1(OCc2ccccc2)c(OCc3ccccc3)cc(cc1OCc4ccccc4)C(=O)N\N=C\c(cc5OC)cc(c5O)Br,0.0
50876,CO-ADD:0220326,1.6,c(\C=N\NC(CNc1ccccc1C)=O)(cc(Br)cc2Br)c2O,0.0
50877,CO-ADD:0221003,1.6,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccn2,0.0
50878,CO-ADD:0219463,1.59,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc(cc(C)cc2C)c2,0.0
50879,CO-ADD:0222217,1.59,n1c2c(oc1c3ccccc3)ccc(c2)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
50880,CO-ADD:0222389,1.59,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c(cc2)ccc2Br,0.0
50881,CO-ADD:0220234,1.59,c(c(cc1)ccc1C(C)=O)(c2)cc(cc2c(cc3)ccc3C(C)=O)c(cc4)ccc4C(C)=O,0.0
50882,CO-ADD:0219318,1.59,c1(C#N)c(C)c(C)c(nc1SCC(=O)c2ccc(cc2)Cl)C,0.0
50883,CO-ADD:0221804,1.59,S(CCCCCCCCC)(=O)(=O)N\N=C\c(cc1OC)cc(c1OC)OC,0.0
50884,CO-ADD:0225639,1.59,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4ccc(cc4F)Cl)=O,0.0
50885,CO-ADD:0226828,1.59,N1(c(cccc2)c2C(N3CCC(C)C)=O)C3=NN(CC#N)C1=O,0.0
50886,CO-ADD:0225964,1.59,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(Cc4cccc(Br)c4)C2=O,0.0
50887,CO-ADD:0225447,1.59,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)NCc5ccccc5)=O,0.0
50888,CO-ADD:0225951,1.59,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4cccc(Br)c4)C2=O,0.0
50889,CO-ADD:0218453,1.59,N(=C(/C)\c(cc1)ccc1C(C)(C)C)/NC(Cc2ccccc2)=O,0.0
50890,CO-ADD:0225569,1.59,N12C(C=CC(Sc3ccccc3)=N1)=NN(CC(=O)N4CCOc(ccc(C)c5)c45)C2=O,0.0
50891,CO-ADD:0225489,1.59,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc(ccc(c5C)C)c5)=O,0.0
50892,CO-ADD:0225596,1.59,C1(=NN(C2=O)Cc(cccc3C(F)(F)F)c3)N2C=CC=C1S(=O)(=O)N4CCCC4,0.0
50893,CO-ADD:0225721,1.59,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4c(C)cc(cc4C)C)=O,0.0
50894,CO-ADD:0219768,1.59,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c(cc2)ccc2OCc(cc3)ccc3Br)[N+](=O)[O-],0.0
50895,CO-ADD:0225846,1.59,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)Nc4ccc(cc4C)Br)=O,0.0
50896,CO-ADD:0225878,1.59,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc(cc4)ccc4C)C2=O,0.0
50897,CO-ADD:0225202,1.59,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(NCCC(C)C)=O,0.0
50898,CO-ADD:0220294,1.59,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c4cc(C)cc(I)c4O,0.0
50899,CO-ADD:0236715,1.59,n1(nnc(C(OCC)=O)c1CN(CC2)CCO2)c3nonc3N,0.0
50900,CO-ADD:0231018,1.59,C(=O)(Nc1cccc(I)c1)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
50901,CO-ADD:0233053,1.59,c1(NC(=O)\C=C\c2ccco2)sc(c3c1C(OCC)=O)CCCC3,0.0
50902,CO-ADD:0227691,1.59,C1(C)(CC2)C(CCC1C(C)CCC(CC)C(C)C)C(C23)CC=C(CC(CC4)OC(c5ccccc5)=O)C34C,0.0
50903,CO-ADD:0234571,1.59,N(\C(=C/c1ccccc1)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
50904,CO-ADD:0231429,1.59,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(c(C)c(Br)c(c4Br)O)c4O,0.0
50905,CO-ADD:0236302,1.59,S(=O)(=O)(NC1CCCCC1)c2c(OC)ccc(c2)C(=O)Nc3ccccc3,0.0
50906,CO-ADD:0236288,1.59,c(c(Cl)cc(c1\N=C\c2ccccc2F)Cl)(NC(C)=O)c1,0.0
50907,CO-ADD:0233656,1.59,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3cccc(F)c3)OC,0.0
50908,CO-ADD:0233169,1.59,c12c(ccc(C)c1NC(c3ccccc3)=O)nsn2,0.0
50909,CO-ADD:0234153,1.59,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3OC(=O)c4ccc(cc4)Br,0.0
50910,CO-ADD:0234927,1.59,c1(Nc2ccccc2)nc(N\N=C\c3c(cccc3Cl)Cl)nc(NCc4ccccc4)n1,0.0
50911,CO-ADD:0236371,1.59,[N+](=O)([O-])c(cc1)ccc1n2cccc2\C=N\NC(=O)c3ccc(cc3OC)OC,0.0
50912,CO-ADD:0227681,1.59,n1(CC(=O)N\N=C\c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2O)nnnc1N,0.0
50913,CO-ADD:0229540,1.58,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3C,0.0
50914,CO-ADD:0227451,1.58,C(/C1)(\C(C)=CC[C@@H]1C(C)=C)=N\NC(CNc2cccc(cccc3)c23)=O,0.0
50915,CO-ADD:0229630,1.58,c1(Nc2ccccc2OC)c(c(C)nc(NCCN(CC)CC)n1)[N+](=O)[O-],0.0
50916,CO-ADD:0229850,1.58,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(OC)=O)=S,0.0
50917,CO-ADD:0229448,1.58,C(=O)(CCOc1ccccc1C)Nc(ccc(c2Cl)Cl)c2,0.0
50918,CO-ADD:0227970,1.58,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3Cl,0.0
50919,CO-ADD:0222261,1.58,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c3ccccc3I,0.0
50920,CO-ADD:0222288,1.58,C(=N\NC(CNC(=O)c1ccccc1Br)=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
50921,CO-ADD:0219582,1.58,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)C(OC)c3ccccc3,0.0
50922,CO-ADD:0219313,1.58,C(COc(cc1)ccc1Br)(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
50923,CO-ADD:0219698,1.58,N#CCC(=O)N\N=C\c1ccccc1OCCCC,0.0
50924,CO-ADD:0220987,1.58,c1(\C=N\NC(COc2c(Br)cc(cc2Br)C)=O)c(Br)cc(c(O)c1Br)Br,0.0
50925,CO-ADD:0221021,1.58,C(=O)(Nc1cccc(OC)c1)C(C(F)(F)F)C(F)(F)F,0.0
50926,CO-ADD:0221976,1.58,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c4cc(Br)ccc4O,0.0
50927,CO-ADD:0220037,1.58,N(=C\c(cc1)ccc1N(CC)CC)/N(c2ccccc2)c3ccccc3,0.0
50928,CO-ADD:0225991,1.58,n12c(ccc(c3ccc(c(C)c3)C)n1)nnc2CCC(=O)NCc(cc4)ccc4C(C)C,0.0
50929,CO-ADD:0225996,1.58,n12c(ccc(c3ccc(cc3)Cl)n1)nnc2CCC(=O)NCc4ccc(cc4Cl)F,0.0
50930,CO-ADD:0226541,1.58,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCC(=O)c4c[nH]c(ccc(OC)c5)c45,0.0
50931,CO-ADD:0226501,1.58,C1(=N2)N(c3c(cccc3)N=C1Oc4ccccc4C)C(N2CC(=O)NCc(ccc(c56)OCO5)c6)=O,0.0
50932,CO-ADD:0225679,1.58,C1(=N2)N(C=CN=C1Oc3cccc(C)c3C)C(N2CC(=O)Nc4ccccc4C(OCC)=O)=O,0.0
50933,CO-ADD:0227018,1.58,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)NCc(cc5)ccc5F,0.0
50934,CO-ADD:0225709,1.58,C1(=N2)N(C=CN=C1Oc(cc3)ccc3Cl)C(N2CC(=O)Nc4ccccc4OC)=O,0.0
50935,CO-ADD:0225285,1.58,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc3c(C)cc(cc3C)C)C2=O,0.0
50936,CO-ADD:0226354,1.58,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)Nc4cccc(C)c4C,0.0
50937,CO-ADD:0226299,1.58,S(=O)(=O)(N(c1ccc(cc1)Cl)Cc2ccccc2F)c(ccc3n4c(C)nn3)c4,0.0
50938,CO-ADD:0226387,1.58,N12C(C=CC(S(c3ccccc3)(=O)=O)=N1)=NN(CC(=O)Nc(cc4)ccc4C(OC)=O)C2=O,0.0
50939,CO-ADD:0225218,1.58,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc(ccc(c4Cl)OC)c4)C2=O,0.0
50940,CO-ADD:0226344,1.58,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc4ccccc4CC,0.0
50941,CO-ADD:0231499,1.58,c1(oc(c2n1)ccc(c2)\N=C\c3cc(Br)ccc3O)c4ccc(cc4Cl)F,0.0
50942,CO-ADD:0227836,1.58,c1(C#N)c2c(sc1\N=C\c(ccc3c(c(C)c4)cc(c4[N+](=O)[O-])C)o3)CCCC2,0.0
50943,CO-ADD:0227700,1.58,C1(c2ccc(cc2)\N=C\C=C\c(cc3)ccc3Br)=Cc4c(OC1=O)cccc4,0.0
50944,CO-ADD:0231475,1.58,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3Cl)Cl)c3)c4ccc(cc4Cl)Cl,0.0
50945,CO-ADD:0227614,1.58,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c5cccc(F)c5O,0.0
50946,CO-ADD:0229520,1.58,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)c(C)cc3[N+](=O)[O-],0.0
50947,CO-ADD:0236260,1.58,S(=O)(=O)(c1c(C)ccc(c1)NC(=O)c2ccco2)Nc(c3)c(C)c(cc3NS(=O)(=O)c4c(C)ccc(c4)NC(=O)c5ccco5)C,0.0
50948,CO-ADD:0234343,1.58,N(/c(cc1)ccc1C(C)=O)=C\c2ccccc2Cl,0.0
50949,CO-ADD:0237016,1.58,OCC(C)(C)[C@@H](O)C(NCCS(NCCCCCCC)(=O)=O)=O,0.0
50950,CO-ADD:0227661,1.58,c1(sc(cc1Cl)Cl)c2c3c(CCCCCC3)nc(N)c2C#N,0.0
50951,CO-ADD:0236144,1.58,N1C(=O)\C(\SC1=S)=C\c2ccccc2Sc3ccccc3,0.0
50952,CO-ADD:0234771,1.58,c1(C(OCC)=O)c(C)[nH]c(C)c1c2ccccc2OC,0.0
50953,CO-ADD:0234717,1.58,c1(O)c(OCC)cc(cc1Br)\C=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
50954,CO-ADD:0229031,1.58,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2cccc(CC)c2,0.0
50955,CO-ADD:0229046,1.58,C(=O)(c1ccc(cc1)Cl)NC(C)(C)C,0.0
50956,CO-ADD:0229541,1.58,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc3c(C)cccc3C,0.0
50957,CO-ADD:0229143,1.58,C(=O)(c1ccccc1C)Nc(cc2)ccc2C(=O)N\N=C\c(ccc(c3OC)OC)c3,0.0
50958,CO-ADD:0229328,1.58,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)OCC(=O)c(cc3)ccc3c4ccccc4,0.0
50959,CO-ADD:0229408,1.58,C1(OC(C(CO)O2)C(O)C(C2Nc3cc(ccc3NC(C)=O)NC(C)=O)O)OC(CO)C(C(O)C1O)O,0.0
50960,CO-ADD:0231802,1.58,c1(\C=N\NC(COc2ccc(cc2Br)OC)=O)cc(Br)ccc1O,0.0
50961,CO-ADD:0228016,1.58,n(Cc1ccccc1)(c2c(c3\C=N\NC(CNC(=O)c(cc4OC)cc(c4OC)OC)=O)cccc2)c3,0.0
50962,CO-ADD:0219245,1.58,c1(cc(Cl)cc(Cl)c1OCC(=O)N\N=C\c2ccccc2[N+](=O)[O-])[N+](=O)[O-],0.0
50963,CO-ADD:0219223,1.58,c1(\C=N\NC(CCCC(=O)Nc(cc2)ccc2Br)=O)cc(Br)ccc1O,0.0
50964,CO-ADD:0220137,1.58,S(N)(=O)(=O)c1ccc(cc1)\N=C\c(cc(I)cc2I)c2O,0.0
50965,CO-ADD:0220102,1.58,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)ccc2O,0.0
50966,CO-ADD:0220663,1.58,S(=O)(=O)(NC1CCCCC1)c(cc(\C(=C(/C#N)\C#N)\c(c23)cc(cc2[N+](=O)[O-])S(=O)(=O)NC4CCCCC4)c3c5[N+](=O)[O-])c5,0.0
50967,CO-ADD:0219246,1.58,C(=O)(c1ccc(cc1)F)Nc(cccc2C(=O)N\N=C\c(cc3)ccc3OC)c2,0.0
50968,CO-ADD:0218964,1.58,C(=O)(C(c1ccccc1)c2ccccc2)Nc3ccccc3OCCCC,0.0
50969,CO-ADD:0219647,1.58,C(/O)(\c1ccc(cc1)OC)=C\C=N\c2ccccc2C,0.0
50970,CO-ADD:0222703,1.57,[N+](=O)([O-])c(ccc(c1\C=N\c2n[nH]cn2)O)c1,0.0
50971,CO-ADD:0219153,1.57,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)c3cccc(F)c3,0.0
50972,CO-ADD:0220496,1.57,c1(OCC(=O)N\N=C\c2cccc(OC)c2)c(C(C)C)cc(c(C)c1Br)Br,0.0
50973,CO-ADD:0220292,1.57,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(OCCCCCCCCC)=O,0.0
50974,CO-ADD:0220062,1.57,c1(cccc(cccc2)c12)NC(CCCCCCCCCCC)=O,0.0
50975,CO-ADD:0219364,1.57,c1(NC(CCl)=O)cc(nn1c2ccccc2)C,0.0
50977,CO-ADD:0220922,1.57,c(c(Br)c1Br)c(NCC(=O)N\N=C\c(cccc2Oc3ccccc3)c2)c(c1)Br,0.0
50978,CO-ADD:0219430,1.57,c1(C)c(cccc1NC(CCC(=O)N\N=C\c2cccc(I)c2)=O)Cl,0.0
50979,CO-ADD:0219440,1.57,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)C(=O)Nc2cccc(Br)c2,0.0
50980,CO-ADD:0226813,1.57,C1(=N2)N(C=Cn(nc(c3ccc(cc3)C)c4)c14)C(N2CC(=O)Nc5cccc(Br)c5)=O,0.0
50981,CO-ADD:0225957,1.57,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(Cc(ccc(c4F)OC)c4)C2=O,0.0
50982,CO-ADD:0226824,1.57,c12n(cnn1)c3c(cccc3)nc2SCC(=O)Nc(ccc(c45)OCCO4)c5,0.0
50983,CO-ADD:0226667,1.57,N1(c(cccc2)c2C(N3CCc4ccccc4)=O)C3=NN(CC(=O)Nc(ccc(c56)OCO5)c6)C1=O,0.0
50984,CO-ADD:0226656,1.57,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)NC(C)C,0.0
50985,CO-ADD:0226312,1.57,N1(C2=O)C(C=C(N=C1Nc(cc3)ccc3F)C)=NN2CC(=O)Nc4cc(C)ccc4OC,0.0
50986,CO-ADD:0225928,1.57,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)N(CC4)CCN4c5ccccc5OC)C2=O,0.0
50987,CO-ADD:0227011,1.57,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc5cccc(SC)c5,0.0
50988,CO-ADD:0225243,1.57,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc(ccc(c4C)C)c4)C2=O,0.0
50989,CO-ADD:0225217,1.57,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc4ccc(c(OC)c4)OC)C2=O,0.0
50990,CO-ADD:0225423,1.57,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(cc5)ccc5F)=O,0.0
50991,CO-ADD:0225889,1.57,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc(ccc(c4Cl)OC)c4)C2=O,0.0
50992,CO-ADD:0236573,1.57,C1(C#N)(C#N)[C@]([H])(c2c(cccc2)C=C3)N3[C@@H](C(=O)C(C)(C)C)[C@@H]1c4cccs4,0.0
50993,CO-ADD:0231453,1.57,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2\C=N/NC(=O)c(ccc(c34)OCCO3)c4)Br,0.0
50994,CO-ADD:0233028,1.57,[N+](=O)([O-])c1cccc(c1)\C(\C)=N\NC(=O)c2ccccc2C,0.0
50995,CO-ADD:0236878,1.57,c1(NC(=O)c2ccc(cc2Cl)Cl)sc(c3c1C(OCC)=O)CCCC3,0.0
50996,CO-ADD:0227630,1.57,n1c2c(oc1c3ccc(cc3)Cl)ccc(c2)\N=C\c4cccc(F)c4O,0.0
50997,CO-ADD:0227688,1.57,C(C(C)=C)(O1)=Nc(c2C1=O)ccc(C)c2,0.0
50998,CO-ADD:0229051,1.57,c1(ccccc1O)\C=N\OCO\N=C\c2ccccc2O,0.0
50999,CO-ADD:0233692,1.57,c1([nH]nc(C(CC2)CCN2C(=O)c(cccn3)c3)c1)C(F)(F)F,0.0
51000,CO-ADD:0233743,1.57,c1([nH]nc(C(CC2)CCN2C(=O)[C@H](N)CC(N)=O)c1)C(F)(F)F.Cl,0.0
51001,CO-ADD:0234879,1.57,c1(c(Br)cc(cc1\C=N\NC(=O)Cc2cccc(cccc3)c23)Br)OC(=O)c4cccc(Br)c4,0.0
51002,CO-ADD:0231359,1.57,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)OC,0.0
51003,CO-ADD:0233757,1.57,c1([nH]nc(C(CC2)CCN2C(=O)[C@@H](N)Cc(c3c([nH]4)cccc3)c4)c1)C(F)(F)F.Cl,0.0
51004,CO-ADD:0231632,1.57,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c(cc(Br)cc4Br)c4O,0.0
51005,CO-ADD:0231638,1.57,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c4ccc(cc4Cl)Cl,0.0
51006,CO-ADD:0233357,1.57,c1(O)c(cc(cc1C(C)(C)C)CN(CCO)CCO)C(C)(C)C,0.0
51007,CO-ADD:0234312,1.57,c1(Br)ccc(\C=N\NC(COc2c(C)cccc2C)=O)o1,0.0
51008,CO-ADD:0231216,1.57,c1(ccc(cc1Cl)Cl)C(=O)N\N=C(\CCC)/c2ccc(cc2)OC,0.0
51009,CO-ADD:0229093,1.57,C(=O)(c1ccccc1C)Nc(cc2)ccc2C(=O)N\N=C\C=C\c3ccccc3,0.0
51010,CO-ADD:0229335,1.57,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(ccc3c4ccc(cc4Br)[N+](=O)[O-])o3,0.0
51011,CO-ADD:0229348,1.56,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3[N+](=O)[O-])c4c(OC)ccc(Cl)c4,0.0
51012,CO-ADD:0229917,1.56,C(=O)(c1ccc(cc1)F)Nc2cccc(cccc3)c23,0.0
51013,CO-ADD:0220155,1.56,c1(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)cc(Cl)ccc1O,0.0
51014,CO-ADD:0222121,1.56,C(=O)(C(=O)NCc1ccccc1Cl)Nc2ccc(cc2C)C,0.0
51015,CO-ADD:0222487,1.56,c1(cc(Cl)ccc1O)\C=N\c2cccc(Cl)c2Cl,0.0
51016,CO-ADD:0220164,1.56,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)C(O)(c2ccccc2)c3ccccc3)c4ccccc4Cl,0.0
51017,CO-ADD:0220435,1.56,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)ccc3OC)=O,0.0
51018,CO-ADD:0221996,1.56,C(=O)(C(c1ccc(cc1)Cl)c2ccc(cc2)Cl)Nc(cc3)ccc3NC(c4ccccc4)=O,0.0
51019,CO-ADD:0220889,1.56,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c3cc(Br)ccc3OC,0.0
51020,CO-ADD:0222432,1.56,c(Nc1ccccc1)(nc(N\N=C\c2c(cccc2Cl)Cl)nc3Nc4ccccc4)n3,0.0
51021,CO-ADD:0222242,1.56,c1(c(Br)cc(cc1\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)Br)OC(c4ccccc4)=O,0.0
51022,CO-ADD:0222347,1.56,c1(c(cccn2)c2)oc(c3n1)ccc(c3)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
51023,CO-ADD:0220253,1.56,C(CNc(cc1)ccc1C)(=O)N\N=C\c2ccc(cc2O)C,0.0
51024,CO-ADD:0220068,1.56,c1(C(OCC)=O)c(C)c(sc1\N=C\c2cc(Br)ccc2O)C(C)=O,0.0
51025,CO-ADD:0218535,1.56,c1(OCC(=O)Nc2cccc(C)c2)c(C)cc(cc1C)C,0.0
51026,CO-ADD:0218079,1.56,c1(\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c[nH]nc1c3ccc(c(OC)c3)OC,0.0
51027,CO-ADD:0218154,1.56,C(=O)(Nc1sccn1)c2cc(ccc2Cl)SC,0.0
51028,CO-ADD:0218554,1.56,n1(CN(Cc2ccccc2)Cc3ccccc3)c(cc4)c(nn1)cc4[N+](=O)[O-],0.0
51029,CO-ADD:0226723,1.56,N1(c(ccs2)c2C(N3CCC)=O)C3=NN(Cc(cc4)ccc4Cl)C1=O,0.0
51030,CO-ADD:0225699,1.56,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)Nc4c(Cl)ccc(Cl)c4)=O,0.0
51031,CO-ADD:0225301,1.56,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc4c(C)cc(cc4C)C)C2=O,0.0
51032,CO-ADD:0226209,1.56,S(=O)(=O)(N(c1cccc(C)c1)Cc2ccccc2F)c(ccc(n3c4)nn4)c3,0.0
51033,CO-ADD:0225747,1.56,C1(=N2)N(C=CN=C1Sc3cccc(C)c3)C(N2CC(=O)Nc(ccc(c4Cl)OC)c4)=O,0.0
51034,CO-ADD:0221078,1.56,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(COc2ccc(cc2OC)Br)=O,0.0
51035,CO-ADD:0221645,1.56,C(=O)(OC1CCCCC1OC(C)C)Nc2cccc3c2cccc3NC(=O)OC4CCCCC4OC(C)C,0.0
51036,CO-ADD:0221758,1.56,N1(c2ccccc2C)C(=O)\C(=C/NCCCCCCCCCCCCCCCCCC)\C(NC1=O)=O,0.0
51037,CO-ADD:0221236,1.56,n12c(nc(cc1C(F)(F)F)c3cccs3)cc(C(NCCC)=O)n2,0.0
51038,CO-ADD:0221449,1.56,C(COc(cc1)ccc1OC)(=O)Nc(cc2)ccc2I,0.0
51039,CO-ADD:0231233,1.55,C(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\c(cc3)ccc3Cl,0.0
51040,CO-ADD:0236181,1.55,N1(C(c(cccc2[N+](=O)[O-])c2)CC(c3cc(C)ccc3C)=N1)c4scc(c(ccc(c5F)OC)c5)n4.Br,0.0
51041,CO-ADD:0236198,1.55,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
51042,CO-ADD:0236211,1.55,N12C(S\C(=C/c3cc(Br)ccc3F)\C1=O)=C(C(c4cc(Br)ccc4F)C(C(OCC)=O)=C2N)C#N,0.0
51043,CO-ADD:0231788,1.55,c1(oc(c2n1)ccc(c2)\N=C\c(cc(OCO3)c3c4)c4Br)c5cccc(Cl)c5Cl,0.0
51044,CO-ADD:0236531,1.55,C12(\C=N\c3ccccc3C)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)Br)=O)c(cccc7)c27,0.0
51045,CO-ADD:0234951,1.55,c1(cc(cc(OC)c1OCC(=O)N\N=C\c2cccc(OC)c2)[N+](=O)[O-])[N+](=O)[O-],0.0
51046,CO-ADD:0234248,1.55,N(/NC(CNC(=O)c1cccc(F)c1)=O)=C(/Cc2ccccc2)\c(cc3)ccc3c4ccccc4,0.0
51047,CO-ADD:0236828,1.55,N(C(=O)\C(\S1)=C/c(cc2)ccc2N(CC)CC)=C1N(CC3)CCO3,0.0
51048,CO-ADD:0234130,1.55,N1C(=O)\C(\SC1=S)=C\c2ccc(cc2Cl)Cl,0.0
51049,CO-ADD:0233208,1.55,c1(c(cc2)ccn2)cc(c3ccc(cc3)Br)nc(ccc(cccc4)c45)c15,0.0
51050,CO-ADD:0231324,1.55,S(=O)(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\c(cc3)ccc3NC(C)=O,0.0
51051,CO-ADD:0231308,1.55,S(=O)(=O)(c1ccc(cc1)C)Oc2ccccc2\C=N/c3ccccc3C,0.0
51052,CO-ADD:0227547,1.55,[N+](=O)([O-])c1cccc(\C=N\c2cc(CC)ccc2O)c1O,0.0
51053,CO-ADD:0229117,1.55,C(=O)(Nc(cccc1C(=O)N\N=C\c2ccc(cc2O)O)c1)c3ccccc3F,0.0
51054,CO-ADD:0229494,1.55,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C\Nc3c(C)cc(cc3[N+](=O)[O-])C,0.0
51055,CO-ADD:0229632,1.55,c1(Nc2ccccc2OC)c(c(C)nc(Nc(ccc(c3C)C)c3)n1)[N+](=O)[O-],0.0
51056,CO-ADD:0220371,1.55,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(CNc3cccc(C)c3)=O,0.0
51057,CO-ADD:0220115,1.55,C1(C#N)(C#N)C(c2ccc(cc2)OCCCC)C3C(C(C#N)=C1N)=CCCC3,0.0
51058,CO-ADD:0220684,1.55,N(c1ccccc1Cl)C(COc2ccccc2I)=O,0.0
51059,CO-ADD:0220703,1.55,c1(N(CC2)CCO2)nc(N\N=C\c(cccc3[N+](=O)[O-])c3)nc(Nc(cc4)ccc4C)n1,0.0
51060,CO-ADD:0222525,1.55,c1(Cl)c(OC)ccc(c1)\N=C\c(ccc(c2Br)OC)c2,0.0
51061,CO-ADD:0222665,1.55,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2c(Br)cc(cc2Br)C=O)c1,0.0
51062,CO-ADD:0220956,1.55,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C(/C)\c3ccc(cc3)Cl,0.0
51063,CO-ADD:0222250,1.55,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(CNc3cccc(cccc4)c34)=O)Br,0.0
51064,CO-ADD:0222367,1.55,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c2cc(C)c(cc2O)C,0.0
51065,CO-ADD:0222748,1.55,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
51066,CO-ADD:0222712,1.55,c1(ccc(\C=N\NC(COc(cc2)ccc2C)=O)o1)Sc3ccccn3,0.0
51067,CO-ADD:0220417,1.55,c(\C=N\NC(CNc1ccc(cc1Br)Cl)=O)(c2c([nH]3)cccc2)c3,0.0
51068,CO-ADD:0220196,1.55,N(=C(/CC)\c(cc1)ccc1c2ccccc2)/NC(CNc(cc3)ccc3C)=O,0.0
51069,CO-ADD:0220227,1.55,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c2cccc(CC=C)c2O,0.0
51070,CO-ADD:0220042,1.55,C(=O)(c1ccc(c(N)c1)C)c2ccc(c(N)c2)C,0.0
51071,CO-ADD:0220970,1.55,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(cc(I)cc3I)c3O,0.0
51072,CO-ADD:0220983,1.55,n(Cc1ccccc1)(c2c(c3\C=N\NC(COc(ccc(c45)cccc4)c5)=O)cccc2)c3C,0.0
51073,CO-ADD:0220868,1.55,C(=O)(c1ccc(cc1)NC(=O)c2cccc(C)c2)Nc3ccccc3I,0.0
51074,CO-ADD:0218605,1.54,C(COc1cccc(Cl)c1)(=O)N\N=C\c(cc2)ccc2I,0.0
51075,CO-ADD:0218125,1.54,n1c(N)[nH]nc1c2cccc(C)c2,0.0
51076,CO-ADD:0218150,1.54,S1(=O)(=O)c(cccc2)c2C(N(C)CCOCC=C)=N1,0.0
51077,CO-ADD:0218214,1.54,N(=C\c(cc1)ccc1OC)/c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c(cc4)ccc4OC,0.0
51078,CO-ADD:0218606,1.54,C(COc1ccccc1C)(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
51079,CO-ADD:0218046,1.54,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c(ccc5c6ccccc6[N+](=O)[O-])o5)O1,0.0
51080,CO-ADD:0226609,1.54,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)NCc(cc4)ccc4Cl,0.0
51081,CO-ADD:0226447,1.54,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4ccc(cc4)OCC,0.0
51082,CO-ADD:0226639,1.54,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4C(C)C,0.0
51083,CO-ADD:0217933,1.54,N1(C)C(=O)NC(C(CC)(C(C)CC)C1=N)=O,0.0
51084,CO-ADD:0225487,1.54,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)NC5CCCC5)=O,0.0
51085,CO-ADD:0226342,1.54,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc4ccc(cc4F)F,0.0
51086,CO-ADD:0219252,1.54,[N+](=O)([O-])c1ccc(cc1)Oc(cc2)ccc2Oc(cc3)ccc3[N+](=O)[O-],0.0
51087,CO-ADD:0221844,1.54,c1(C#N)c(SCC(=O)Nc(cc2)ccc2Br)nc(cc1c3ccccc3OC)c4ccccc4,0.0
51088,CO-ADD:0226348,1.54,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc4cc(F)cc(F)c4,0.0
51089,CO-ADD:0221655,1.54,C(NCCCCCCCCCCNC(=O)Nc1cccc(CC)c1)(=O)Nc2cccc(CC)c2,0.0
51090,CO-ADD:0236834,1.54,N12c(c(C3C(CC=C3)C1)c4)c(C5C(CC=C5)C2)cc4C(=O)OCC(=O)c6ccc(cc6)Br,0.0
51091,CO-ADD:0231134,1.54,N1(C(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc(cc3)C)C(N1C(=O)c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4)c5ccc(cc5)Cl,0.0
51092,CO-ADD:0233011,1.54,c1(ccccc1SC)C(=O)O\N=C(\C2)/c3c(CC2)ccc(OC)c3,0.0
51093,CO-ADD:0229586,1.54,c1(nc(c2ccccc2)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c(C)c4C(OCC)=O)C(OCC)=O)c1Br,0.0
51094,CO-ADD:0238632,1.54,CC1=C(C2=CC=CC=C2)C(C)=C(C)C1C.NC3=N[Ir@@](C)(NC(N(C)C)=N3)Cl.[Cl-],0.0
51095,CO-ADD:0236466,1.54,n(c1C)(nnc1C(=O)N\N=C(/C)\c2cccc(N)c2)c3nonc3N,0.0
51096,CO-ADD:0234999,1.54,C(F)(F)(C(F)(F)F)\C(\NC(=S)Nc(cc1)ccc1S(=O)(=O)Nc2nc(C)cc(C)n2)=C(/C(F)(F)F)\C(F)(F)F,0.0
51097,CO-ADD:0236017,1.54,c1(nonc1N)\C(\N)=N/OC(CCc2ccccc2)=O,0.0
51098,CO-ADD:0234393,1.54,C(=O)(C=C)NC(C)(C)CCN(CC1)CCO1,0.0
51099,CO-ADD:0233185,1.54,N1(c2cccc(C)c2)C(C)=Nc(c3C1=O)cccc3,0.0
51100,CO-ADD:0233640,1.54,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(COc(ccc(c3C)C)c3)=O,0.0
51101,CO-ADD:0233601,1.54,C1(\N=C\c(cc2)ccc2OCC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
51103,CO-ADD:0231661,1.54,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2NC(C)=O,0.0
51104,CO-ADD:0229624,1.54,n1c(ccc(C#N)c1SCC(=O)c2ccc(cc2)Cl)c(cccn3)c3,0.0
51105,CO-ADD:0227896,1.54,N1(c2ccc(c3c2)cccc3)CC(CC1=O)C(=O)OCC(c4ccccc4)=O,0.0
51106,CO-ADD:0229556,1.54,c(C#N)(c1c2ccccc2)c(\N=C\c3c(O)ccc(cccc4)c34)oc1c5ccccc5,0.0
51107,CO-ADD:0227330,1.54,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2ccccc2\C=N\NC(COc3ccc(cc3OC)Br)=O,0.0
51108,CO-ADD:0227554,1.54,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(COc3cc(C)ccc3C(C)C)=O,0.0
51109,CO-ADD:0227544,1.54,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4OCC)cc(c4O)Br,0.0
51110,CO-ADD:0222795,1.54,c1(\C=N\NC(CNc2ccccc2C)=O)cc(Cl)ccc1OC,0.0
51111,CO-ADD:0220147,1.54,N(=C(/C)\c1ccc(cc1)CC)/NC(CNc(cc2)ccc2C)=O,0.0
51112,CO-ADD:0219273,1.54,[N+](=O)([O-])c1ccc(c(Br)c1)NC(=O)c(cccc2C(=O)Nc(cc3)c(Br)cc3[N+](=O)[O-])c2,0.0
51113,CO-ADD:0221848,1.54,C1(C#N)=C(c2ccccc2Cl)C3=C(CCCC3)NC1=S,0.0
51114,CO-ADD:0218976,1.53,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(NCCOc2ccccc2Cl)=O)c1,0.0
51115,CO-ADD:0219377,1.53,C(=O)(c1ccccc1C)Nc(cc2)ccc2C(=O)N\N=C\c(cc(I)cc3I)c3O,0.0
51116,CO-ADD:0219763,1.53,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2OCc3cccc(cccc4)c34,0.0
51117,CO-ADD:0219171,1.53,C(=O)(NCc1ccccc1F)Nc2cccc(c2)NC(=O)NCc3ccccc3F,0.0
51118,CO-ADD:0219580,1.53,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc(cc(C)cc2C)c2,0.0
51119,CO-ADD:0220441,1.53,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3cc(Br)ccc3OC,0.0
51120,CO-ADD:0219834,1.53,C(CC(C)C)(=O)Nc(cc1)ccc1Br,0.0
51121,CO-ADD:0219126,1.53,C(=O)(Nc1cccc(F)c1)C(NCCc2ccccc2)=O,0.0
51122,CO-ADD:0221136,1.53,c1(C(=O)N(CCS2)C2=N3)c3sc(COC(C)(C)C4)c14,0.0
51123,CO-ADD:0221890,1.53,N1(c2ccccc2[N+](=O)[O-])C(=O)C(C(C1=O)C34C=O)C(c(c35)cccc5)c(c46)cccc6,0.0
51124,CO-ADD:0219382,1.53,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc2ccccc2Br,0.0
51125,CO-ADD:0219375,1.53,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Br,0.0
51126,CO-ADD:0221215,1.53,n1c(c(cc2)ccn2)csc1N,0.0
51127,CO-ADD:0218726,1.53,C(=O)(C\C(\C)=N/NC(=O)c(cc1)ccc1C(C)(C)C)Nc2ccccc2CC,0.0
51128,CO-ADD:0218798,1.53,N(=C\c1ccccc1O)/NC(CCC(=O)Nc2cccc(Cl)c2)=O,0.0
51129,CO-ADD:0218254,1.53,C(CCCCCCCCC=C)(NCCc1ccccc1)=O,0.0
51130,CO-ADD:0218171,1.53,n1c(c2ccc(cc2)C)c(cn1c3ccccc3)\C=N\NC(COc(ccc(c4C)C)c4)=O,0.0
51131,CO-ADD:0218203,1.53,C(=N/NC(c1ccccc1)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
51132,CO-ADD:0218377,1.53,C(=C/c1ccccc1O)(/C2=O)\C(=O)NC(=S)N2,0.0
51133,CO-ADD:0225630,1.53,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4ccccc4C(OC)=O)=O,0.0
51134,CO-ADD:0217973,1.53,c1(cc(F)c(cc1Cl)F)C(=O)Nc2ccc(cn2)C,0.0
51135,CO-ADD:0218502,1.53,C(=O)(N\N=C\c1cccc(OC)c1OC)c2ccco2,0.0
51136,CO-ADD:0225528,1.53,n(c1c(cccc1)nc2SCc3c(C)oc(c4ccc(c(OC)c4)OC)n3)(c(C(C)C)nn5)c25,0.0
51137,CO-ADD:0225694,1.53,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)Nc(cc4)ccc4C#N)=O,0.0
51138,CO-ADD:0242111,1.53,c1(C(=O)Nc2c(O)ccc(Cl)c2)c(Cl)c(c3s1)ccc(c3)[N+](=O)[O-],0.0
51139,CO-ADD:0246161,1.53,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c5ccc(cc5)Cl)o4,0.0
51140,CO-ADD:0240259,1.53,C1(COc(c2O1)cccc2)C(=O)Nc3ccccn3,0.0
51141,CO-ADD:0244523,1.53,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(=O)c2cccc(c2)NC(Cc3ccccc3)=O,0.0
51142,CO-ADD:0240955,1.53,c(cc(C)cc1CN(CC2)CCN2Cc(cc(C)cc3C(C)c4ccccc4)c3O)(C(C)c5ccccc5)c1O,0.0
51143,CO-ADD:0240564,1.53,N1(C2c3ccc(cc3)OC)C(S\C(=C\c4ccccc4)\C1=O)=NC(\C(\CCC5)=C\c(cc6)ccc6OC)=C25,0.0
51144,CO-ADD:0243914,1.53,C(C(=O)N1)(C(c(c2OC)cc(OC)c(OCO3)c23)CC(NCc4cc(OCO5)c5cc4)=O)=C(O)C(C(OCC)=O)=C1,0.0
51145,CO-ADD:0243034,1.53,c(CC(C1)ON=C1C(=O)[O-])(c(OC)c(c23)OCO2)c(Br)c3OC.[Na+],0.0
51146,CO-ADD:0243162,1.53,c(CNCC(CC(O1)Cc(cc(c2c3OCO2)OC)c3)=N1)(cn(n4)CC)c4C,0.0
51147,CO-ADD:0243091,1.53,c(\C=N/NC(c(c1)cc([N+](=O)[O-])cc1)=O)(c2OC)c(CC3CC(C(OCC)=O)=NO3)c(OC)c(OCO4)c24,0.0
51148,CO-ADD:0241101,1.53,C1(NC(=O)c2cccc(C)c2OC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
51149,CO-ADD:0244425,1.53,N(C)(C1C)CC(C([H])(O)C1)C.Cl,0.0
51150,CO-ADD:0244313,1.53,c1(NC(CCC)=O)nnc(C)s1,0.0
51151,CO-ADD:0242492,1.53,[N+](=O)([O-])c1c(NCCCNC(=O)c2ccccc2Cl)ccc(Cl)c1,0.0
51152,CO-ADD:0242518,1.53,[N+](=O)([O-])\C=C/c1ccccc1OCC(OCC)=O,0.0
51153,CO-ADD:0242462,1.53,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c4ccccc4O)n1,0.0
51154,CO-ADD:0241545,1.53,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c4c5c(cccc5)cc(cccc6)c46)n1,0.0
51155,CO-ADD:0245792,1.53,C(c(cccc1[N+](=O)[O-])c1)(O2)=Nc(c3C2=O)ccc(Br)c3,0.0
51156,CO-ADD:0241107,1.53,n1(c2c(nc1C)cccc2)C(=O)c3cccs3,0.0
51157,CO-ADD:0245393,1.53,C1(C2c3ccc(cc3)C)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
51158,CO-ADD:0153109,1.53,CN1C=C(NC(C2=CC(NC(C3=CC=CC(OC)=C3)=N)=CN2C)=O)C=C1C(NC4=CN(CCC(C)C)C(C(NCCCN(C)C)=O)=C4)=O,0.0
51159,CO-ADD:0149821,1.53,NC1=C(C(C2=CC=CC=C2)=C(C(N3CCC(CC4=CC=CC=C4)CC3)=N1)C#N)C#N,0.0
51160,CO-ADD:0149645,1.53,CC(C1)C(NC(OC)=C1C#N)=O,0.0
51161,CO-ADD:0149593,1.53,CC1=CC(N(CC#C)C)=NC(C)=N1,0.0
51162,CO-ADD:0149594,1.53,O=C(NC)C1=CC2=CC(OCC3=CC=CC=C3)=CC=C2N1C,0.0
51163,CO-ADD:0242589,1.53,[N+](=O)([O-])c1ccc(cc1C)C(=O)NCc2ccco2,0.0
51164,CO-ADD:0240346,1.53,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)c(cc4)ccc4[N+](=O)[O-])(C)C)=C1c(cccc5OCC)c35,0.0
51165,CO-ADD:0244196,1.53,N(\C(=C\c(cc1)ccc1C(OC)=O)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
51166,CO-ADD:0242091,1.53,[N+](=O)([O-])c(ccc(c1\C=N\c(c2)c(ccc2C(F)(F)F)Oc3ccccc3)O)c1,0.0
51167,CO-ADD:0241213,1.53,C(=O)(c1ccccn1)N\N=C(/C)\c(cc2)ccc2\C(\C)=N\NC(=O)c3ccccn3,0.0
51168,CO-ADD:0240831,1.53,[N+](=O)([O-])c1ccccc1NC(=O)c(cc2)ccc2C3CCCCC3,0.0
51169,CO-ADD:0240921,1.53,N1(c(cc2)ccc2C(=O)OCC(=O)c(cc3)ccc3c4ccccc4)Cc(c5C1)cccc5,0.0
51170,CO-ADD:0240469,1.53,C1(NC(=O)c2c(Cl)c(Cl)c(c(Cl)c2C(O)=O)Cl)=C(C)N(N(c3ccccc3)C1=O)C,0.0
51171,CO-ADD:0244508,1.53,C(=O)(Nc1ccccc1)c(ccc(c2NC(COc3ccccc3C)=O)Cl)c2,0.0
51172,CO-ADD:0243003,1.53,c12c(OCO1)c(cc(\C=N\O)c2OC)OC,0.0
51173,CO-ADD:0242666,1.52,C(F)(F)(F)C(=O)Nc1ccccc1Oc2ccccc2,0.0
51174,CO-ADD:0242374,1.52,c1(SCC(=O)c2ccc(cc2)OC)nc(c(cccn3)c3)cc(C)c1C#N,0.0
51175,CO-ADD:0242521,1.52,S(c1ccccc1)(=O)(=O)NNC(c(cc2)ccn2)=O,0.0
51176,CO-ADD:0242289,1.52,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c4cc(Cl)c(cc4[N+](=O)[O-])C)o3.Cl,0.0
51177,CO-ADD:0242509,1.52,N1\C(=N/N=C/c(cc2)ccc2C(C)C)\SCC1=O,0.0
51178,CO-ADD:0241105,1.52,c1(\C(\CCC2)=N\NC(=O)c3ccc(cc3)OCCCCCCCCCC)c2cc(OC)cc1C,0.0
51179,CO-ADD:0245461,1.52,c1(C(=O)N\N=C\C=C\c2ccccc2)nonc1N,0.0
51180,CO-ADD:0241696,1.52,c1(C#N)c(C)c(CC)c(nc1SCc2cccc(C)c2)C,0.0
51181,CO-ADD:0243995,1.52,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(O)=O)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C2)[C@]23C)[C@]3(C)CC4)C4[C@H](C)[C@@H]1O,0.0
51182,CO-ADD:0149595,1.52,C#CCN(CC1=CC2=CC(OCOC3=CC(C=C4CN(CC#C)C)=C(C=C3)N4C)=CC=C2N1C)C,0.0
51183,CO-ADD:0153061,1.52,NC1=C(CN2N=NC(CNC3=CC=C(C(NC(CCC(OCC)=O)C(OCC)=O)=O)C=C3)=C2)C=NC(C)=N1,0.0
51184,CO-ADD:0153062,1.52,CC(C)CCC1=C(C(NCCCN(C)C)=O)N=C(NC(C2=CC(NC(C3=CC(NC(C4=CC=C(C(O)=O)C=C4)=O)=CN3C)=O)=CN2C)=O)S1.OC(C(F)(F)F)=O,0.0
51185,CO-ADD:0149807,1.52,CC1=C(C(C2=CC=C(C=C2)[N+]([O-])=O)C(C#N)=C(N)N1)C(OCC)=O,0.0
51186,CO-ADD:0240312,1.52,N1(Cc2ccccc2)C(=O)NC(\C(=C/c(c(cccc3)c3n4Cc5ccccc5)c4)\C1=O)=O,0.0
51187,CO-ADD:0242087,1.52,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c(ccc4Sc5cccc(cccn6)c56)o4)n1,0.0
51188,CO-ADD:0242517,1.52,C1(C(OC)=O)=C(C)NC(=S)NC1c2ccc(cc2)OCC(OC)=O,0.0
51189,CO-ADD:0241987,1.52,N1(c2ccccc2C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)Br,0.0
51190,CO-ADD:0240476,1.52,N1(N=C(\C(=C(\C)/N(C)C)\C1=O)C)c2sc(c3n2)cccc3,0.0
51191,CO-ADD:0242294,1.52,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc(Br)cc3[N+](=O)[O-])c3O,0.0
51192,CO-ADD:0244782,1.52,n1c(c2ccc(cc2)C)n[nH]c1N=Nc(cc3)ccc3O,0.0
51193,CO-ADD:0242470,1.52,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
51194,CO-ADD:0241891,1.52,C(=C/c(cc1)ccc1Br)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
51195,CO-ADD:0245642,1.52,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)n3c(cccc3)c1S(CCC)(=O)=O,0.0
51196,CO-ADD:0241519,1.52,N1(c2ccccc2)CC(CC1=O)C(=O)OCC(=O)c3ccc(cc3)Cl,0.0
51197,CO-ADD:0241468,1.52,c1(N(C)C)nc(N\N=C\c(cc2)ccc2Cl)nc(Nc(cc3)ccc3F)n1.CC(=O)O,0.0
51198,CO-ADD:0240732,1.52,C(=O)(Oc(ccc(c1C)C)c1)Nc2ccccc2C,0.0
51199,CO-ADD:0244799,1.52,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
51200,CO-ADD:0242262,1.52,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3I)nc(NCc4ccccc4)n1,0.0
51201,CO-ADD:0245433,1.52,c1(nc(c2n1CC(=O)N\N=C\c3cccc(cccc4)c34)cccc2)c5nonc5N,0.0
51202,CO-ADD:0242382,1.52,C1(C#N)(C#N)[C@@H](c2ccco2)[C@]([H])(C3)C(C(C(O)=O)=C1N)=CCN3C.C(=O)O,0.0
51203,CO-ADD:0245405,1.52,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cccc(cccc3)c23,0.0
51204,CO-ADD:0241748,1.52,n1c(c2ccc(cc2)C)csc1\C(\C#N)=C/c(cc3)ccc3OC,0.0
51205,CO-ADD:0241619,1.52,N1(c2cccc(c2)c3csc(Nc4cc(Cl)cc(Cl)c4)n3)C(=O)c5c(cccc5)C1=O.Br,0.0
51206,CO-ADD:0148592,1.52,O=C(CC1=CC(O)=CC=C1O)NC2=C(O)C=CC(O)=C2,0.0
51207,CO-ADD:0242038,1.52,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)Nc2nncs2)c1,0.0
51208,CO-ADD:0240950,1.52,C(F)(F)(C(F)(F)C(F)(F)C(=O)NC(CCCC)C(=O)[O-])C(F)(F)C(F)(F)C(F)(F)F.[Na+],0.0
51209,CO-ADD:0244923,1.52,C(CO)N(CN(C(=O)N1)C(N23)C1NC2=S)C3,0.0
51210,CO-ADD:0244969,1.52,c1(c2ccc(cc2)OC)nc(sc1c(cc3)ccc3[N+](=O)[O-])\N=C/c4ccccc4O,0.0
51211,CO-ADD:0244359,1.52,n1c(c2ccc(cc2)F)csc1Nc3cccc(cccc4)c34.Br,0.0
51212,CO-ADD:0242654,1.52,C1(C(c2ccc(cc2)OCC(OC)=O)C3C(=O)CC(CC3=O)(C)C)=C(O)CC(C)(C)CC1=O,0.0
51213,CO-ADD:0241953,1.52,N1C(=O)C(SC1=N)CC(=O)Nc(cc2)ccc2NC(=O)CC(SC(N3)=N)C3=O,0.0
51214,CO-ADD:0240553,1.52,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2c4ccc(cc4)C)=O,0.0
51215,CO-ADD:0241479,1.52,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3OC)nc(Nc4ccc(cc4Br)C)n1,0.0
51216,CO-ADD:0245657,1.52,N1(c2ccccc2)C(=O)\C(\NC1=S)=C/c(ccc(c3OC)O)c3,0.0
51218,CO-ADD:0244878,1.52,[C@@]([H])(N(CC)C(=O)N1CC)([C@@]1([H])N2)N3C(S[C@]4([C@@H](c(c5)ccc([N+](=O)[O-])c5)CN(C)[C@]4(C6=O)c(cc7)c(cc7)N6CC=C)C3=O)=N2,0.0
51219,CO-ADD:0244197,1.52,C(=O)(c1cccc(c1)NC(=O)\C=C\C=C\C)c2ccc(c(C)c2)C,0.0
51220,CO-ADD:0244146,1.52,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)Nc(cc3)ccc3C(OCC)=O,0.0
51221,CO-ADD:0244192,1.52,c1(cc(n[nH]1)C)C(=O)N\N=C(/C)\c(cc2)ccc2c3ccccc3,0.0
51222,CO-ADD:0147057,1.52,OCC1=CC=C[N+]([Re]2(C#[O+])(C#[O+])([N+]3=c(c([N+]2=CC=C4)c4c5c6nc7ccccc7n5)c6=CC=C3)C#[O+])=C1.F[B-](F)(F)F,0.0
51223,CO-ADD:0240739,1.51,c1(NC2CCCCC2)[nH]nc(C)c1[N+](=O)[O-],0.0
51224,CO-ADD:0240214,1.51,[N+](=O)([O-])c1cc2c(cc1\C=N\c(cc3)c(Br)cc3[N+](=O)[O-])OCO2,0.0
51225,CO-ADD:0240733,1.51,N1(c2c(cccc2)CCc(cccc3)c13)C(=O)CCCl,0.0
51226,CO-ADD:0242461,1.51,C1(NC(=O)c2ccc(c3c2OC)cccc3)=C(C)N(N(c4ccccc4)C1=O)C,0.0
51227,CO-ADD:0240764,1.51,c1(SCC(=O)N(C)C)[nH]c(c2n1)cccc2,0.0
51228,CO-ADD:0243095,1.51,c(\C=N/NC(c(c1)ccnc1)=O)(c2OC)c(CC3CC(C(OCC)=O)=NO3)c(OC)c(OCO4)c24,0.0
51229,CO-ADD:0243031,1.51,C(CC(O1)Cc(cc2OC)cc(c23)OCO3)(C(OC)=O)=N1,0.0
51230,CO-ADD:0244241,1.51,N1(C(=O)c2ccc(cc2)Cl)C(O)(c(cc3)ccn3)CC(C(F)(F)F)=N1,0.0
51231,CO-ADD:0245745,1.51,C(=C/Nc1ccc(cc1Cl)Cl)(/C2=O)\C(C(F)(F)F)=NN2c(cc3)ccc3[N+](=O)[O-],0.0
51232,CO-ADD:0244330,1.51,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2C)\C(N1CC(C)C)=O,0.0
51233,CO-ADD:0244449,1.51,c1(N\N=C\c(ccc2[N+](=O)[O-])o2)c(F)c(F)c(c(F)c1F)F,0.0
51234,CO-ADD:0241954,1.51,C1(C(OCC)=O)=C(C)NC(NC1c2ccccc2OCC(OCC)=O)=O,0.0
51235,CO-ADD:0241957,1.51,C(C#N)(C1c2cccs2)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
51236,CO-ADD:0241440,1.51,c1(N(CC2)CCO2)nc(N\N=C\c3cc(Br)ccc3O)nc(Nc(cc4)ccc4F)n1,0.0
51237,CO-ADD:0244214,1.51,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(ccc(c3Cl)C)c3)n2)N4CCCCC4.Br,0.0
51238,CO-ADD:0244875,1.51,C(N(C)C(=O)N1C)(C1N2)N=C(SC3(C(c4ccc([N+](=O)[O-])cc4)CN(C)C3(c(cc(Br)cc5)c5N6CC)C6=O)C7=O)N27,0.0
51239,CO-ADD:0244207,1.51,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(NCCc(c2c([nH]3)cccc2)c3)=O)c1,0.0
51240,CO-ADD:0147058,1.51,[Re+]1(C#[O+])(C#[O+])(Br)([N+](C=CC=2)=c3c2c(nc(cccc4)c4n5)c5c6c3[N+]1=CC=C6)C#[O+],0.0
51241,CO-ADD:0147072,1.51,[Re](C#[O+])(C#[O+])(C#[O+])(Br)(C#[O+])C#[O+],0.0
51242,CO-ADD:0240959,1.51,C1(C(OCC)=O)=Cc2c(OC1=O)ccc(Br)c2,0.0
51243,CO-ADD:0240716,1.51,n1cc(CCCCC)ccc1c2ccc(cc2)Br.Cl,0.0
51244,CO-ADD:0241453,1.51,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4OC)cc(c4OC)OC)\C1=O,0.0
51245,CO-ADD:0240903,1.51,C1(=S)N(C2CCCCC2)C3(\C(=N\c4c(C)ccc(Cl)c4)\N1)CCCCC3,0.0
51246,CO-ADD:0244567,1.51,S(c1ccccc1)(=O)(=O)Nc(cccn2)c2,0.0
51247,CO-ADD:0240572,1.51,c1(SCC(NCCOc2ccccc2)=O)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
51248,CO-ADD:0245013,1.51,C12(CC13C4C3CCCC4)C(C25)CCCC5,0.0
51249,CO-ADD:0241041,1.51,C(F)(F)(F)c(ccc(c1\N=C\c2cc(OC)ccc2O)Oc3ccccc3)c1,0.0
51250,CO-ADD:0245003,1.51,c1(scc(c(cc2)ccc2c3ccccc3)n1)NC(=O)c(cccn4)c4,0.0
51251,CO-ADD:0244150,1.51,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])NC(CCl)=O)c1)\N=C(\N)/N,0.0
51252,CO-ADD:0241403,1.51,c(\C=N\c(cc1)ccc1C(=O)\C=C\c(cc2)ccc2N(C)C)(c3c([nH]4)cccc3)c4,0.0
51253,CO-ADD:0242347,1.51,c1(C#N)c(c2ccccc2)cc(nc1SCC#C)c3cccs3,0.0
51254,CO-ADD:0242381,1.51,C1(C#N)(C#N)[C@@H](c(cc2)ccc2[N+](=O)[O-])[C@]([H])(C3)C(C(C(O)=O)=C1N)=CCN3C.[Na+],0.0
51255,CO-ADD:0244160,1.51,C(=O)(C(=O)NCC(CCCC)CC)Nc1ccc(cc1C)C,0.0
51256,CO-ADD:0244186,1.51,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCN3c4cccc(Cl)c4)C1=O,0.0
51257,CO-ADD:0241541,1.51,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(Cl)c1C)C(=O)Nc2cc(C)ccc2OC,0.0
51258,CO-ADD:0242003,1.51,S(=O)(=O)(c(cccc1C(=O)Oc(cccc2c3cnc(c4n3)cccc4)c2)c1)N(CC5)CCO5,0.0
51259,CO-ADD:0241723,1.51,C(C#N)(C1c2cccc(Br)c2)=C(N)OC(\C(\CCC3)=C\c4cccc(Br)c4)=C13,0.0
51260,CO-ADD:0245712,1.51,[N+](=O)([O-])c(cc1)ccc1C(OC(C)=O)OC(C)=O,0.0
51261,CO-ADD:0246111,1.51,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)OC,0.0
51262,CO-ADD:0240475,1.51,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
51263,CO-ADD:0240467,1.51,n1c(ccc(cccc2O)c12)\C=N\NC(c(cc3)ccn3)=O,0.0
51264,CO-ADD:0242914,1.51,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OC(Br)Br,0.0
51265,CO-ADD:0241059,1.51,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4)ccc4OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
51266,CO-ADD:0240676,1.5,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c(cccc2[N+](=O)[O-])c2O)[N+](=O)[O-],0.0
51267,CO-ADD:0241159,1.5,c1(C#N)c(c2ccccc2)cc(nc1SCCCCCCCC)c3ccc(cc3)C,0.0
51268,CO-ADD:0240836,1.5,C(=O)(NC1CCCCCCC1)c2cc(OC)cc(OC)c2,0.0
51269,CO-ADD:0246059,1.5,c1(NC(CCCCCCC(=O)Nc2nnc(C)s2)=O)nnc(C)s1,0.0
51270,CO-ADD:0242810,1.5,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Br)SC(=NN2c6ccccc6)C(c7ccccc7)=O,0.0
51271,CO-ADD:0245467,1.5,c1(C(=O)N\N=C\c(c(ccc2[N+](=O)[O-])OCc3ccc(cc3Cl)Cl)c2)nonc1N,0.0
51272,CO-ADD:0244848,1.5,C(N(c1ccccc1)C(=O)N2C)(C2N3)N4C(S\C(=C(/C5=O)\c6c(cccc6)N5CC)\C4=O)=N3,0.0
51273,CO-ADD:0244712,1.5,P(N1CCCCC1)(N2CCCCC2)(N3CCCCC3)=C(C(C)=O)N=Nc4ccccc4,0.0
51274,CO-ADD:0244887,1.5,C1(C2NC(=S)N1)N(c3ccccc3)C(=S)N2,0.0
51275,CO-ADD:0240520,1.5,C(/Nc1c(S2)cccc1)(=C\C(OC)=O)\C2=O,0.0
51276,CO-ADD:0242817,1.5,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2)ccc2N(C)C)n3c(cccc3)c1S(CCC)(=O)=O,0.0
51277,CO-ADD:0241526,1.5,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)\N=C\c(cc4)ccc4I)n1,0.0
51278,CO-ADD:0241759,1.5,C12(c3c(NC1=O)cccc3)C(C(OCCOC)=O)=C(C)OC(N)=C2C(=O)OCc4ccccc4,0.0
51279,CO-ADD:0244203,1.5,c(cc(cc1[N+](=O)[O-])C(=O)Nc(c(C)ccc2S(N)(=O)=O)c2)([N+](=O)[O-])c1Nc(cc3)ccc3OCC,0.0
51280,CO-ADD:0244148,1.5,C(=C\c(ccc1c2cccc(Cl)c2Cl)o1)(/C3=O)\C(=O)NC(=S)N3,0.0
51281,CO-ADD:0149746,1.5,O=C(N(C(CN1C)=C)C1=C2C#N)C(C#N)=C2C3=CC=CC=C3,0.0
51282,CO-ADD:0149692,1.5,NC1=C2C(CCN(CC#C)C2)=NC(C1=C3)=NC(NC4CCN(CC4)CC5=CC=CC=C5)=C3C#N,0.0
51283,CO-ADD:0149842,1.5,BrC(/C(OC1=C2C=CC3=C1C=CC=C3)=NBr)(C2C4=CC(OC)=CC=C4)C#N,0.0
51284,CO-ADD:0246002,1.5,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cccc(Cl)c2Cl,0.0
51285,CO-ADD:0244689,1.5,C(NCCSSCCNC(=O)c1ccc(cc1)F)(=O)c2ccc(cc2)F,0.0
51286,CO-ADD:0245951,1.5,C(C(OCC)=O)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
51287,CO-ADD:0240942,1.5,C1(C2c3ccc(cc3)OCc(cc4)ccc4C)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC5=O)=C25,0.0
51289,CO-ADD:0245975,1.5,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(ccc(c3OCC)OCc4ccc(cc4Cl)Cl)c3)nc(NCc5ccco5)n1,0.0
51290,CO-ADD:0244215,1.5,N1(C(CC(c(ccc(c2F)OC)c2)=N1)c3ccc(cc3Cl)Cl)c4scc(c5ccc(cc5)Cl)n4.Br,0.0
51291,CO-ADD:0244984,1.5,N1C(=S)NN=C1c2ccccc2C,0.0
51292,CO-ADD:0244926,1.5,C(N(C)C1=O)C(C(=O)N2)(C(=O)NC2=S)CN1C,0.0
51293,CO-ADD:0244334,1.5,n12c(cc(c3ccccc3)n1)nc(C)c(CC)c2O,0.0
51294,CO-ADD:0246125,1.5,n1c(c2ccc(cc2)C)c(cn1c3ccccc3)\C=N\NC(COc4ccc(cc4Cl)Cl)=O,0.0
51295,CO-ADD:0244714,1.5,P(OCC)(OCC)(=O)C(C)(O)CC(OCC)=O,0.0
51296,CO-ADD:0244822,1.5,C(N12)(C(N3C1=S)N4CN(CCc(cc5)ccc5)C3)N(CN(CCc(cc6)ccc6)C2)C4=O,0.0
51297,CO-ADD:0242661,1.5,N1(NC(=O)c2cccc(Cl)c2)C(=O)C3C(C(CC34)C=C4)C1=O,0.0
51298,CO-ADD:0242646,1.5,S(=O)(=O)(c1ccc(cc1C)Br)n2c3c(nc2)cccc3,0.0
51299,CO-ADD:0149847,1.5,BrC(/C(OC1=C2C(C=CC=C3)=C3C=C1)=NBr)(C2C4=CC(OC)=CC=C4)C#N,0.0
51300,CO-ADD:0242144,1.5,n1c2c(oc1c3ccc(cc3)NC(CN(CC=C)CC=C)=O)ccc(c2)NC(CN(CC=C)CC=C)=O,0.0
51301,CO-ADD:0241551,1.5,N1(c(cc2)ccc2C(=O)Nc(cc3)ccc3C(OC)=O)C(=O)c4c(cccc4)C1=O,0.0
51302,CO-ADD:0242916,1.5,C(O)(Cc(cc1)ccc1C)(C(C)C2)CC(N2C)C,0.0
51303,CO-ADD:0245882,1.5,c1(C#N)c(COC)cc(nc1OCC(=O)N\N=C\c(ccc(c2OCC)O)c2)C,0.0
51304,CO-ADD:0245890,1.5,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\N(CCCC)CCCC)c1,0.0
51305,CO-ADD:0241172,1.5,c1(c2cc(OC)c(OC)c1)C(=O)OC(c3ccc(cc3)OC(C)=O)=N2,0.0
51306,CO-ADD:0240822,1.5,S(=O)(=O)(c1ccc(c2c1)OCCO2)N(Cc3ccccc3)CC(=O)N\N=C\c(cc4)ccc4OC,0.0
51307,CO-ADD:0240255,1.49,n12c(nc(cc1C(F)(F)F)c3cccs3)cc(C(OCC)=O)n2,0.0
51308,CO-ADD:0244504,1.49,N(\C(=C/c1ccc(C)o1)\C(O2)=O)=C2c(cc3)ccc3[N+](=O)[O-],0.0
51309,CO-ADD:0241145,1.49,c1(c2ccc(cc2Cl)Cl)[nH]c3c(ccc(c3)\N=C\c4ccccc4O)n1,0.0
51310,CO-ADD:0241649,1.49,S(=O)(=O)(c(cccc1C(=O)Nc2nnc(Cc3cccc(C)c3)s2)c1)N(CC4)CCO4,0.0
51311,CO-ADD:0241127,1.49,n(c(c1)c2ccc1C(=O)Nc(cc3)ccc3OC)c(c4ccccc4)c(n2)c5ccccc5,0.0
51312,CO-ADD:0241845,1.49,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3[N+](=O)[O-])nc(NCc4ccccc4)n1,0.0
51313,CO-ADD:0245398,1.49,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cccs2,0.0
51314,CO-ADD:0242773,1.49,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
51315,CO-ADD:0241364,1.49,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3cccc(O)c3)c4nonc4N,0.0
51316,CO-ADD:0245496,1.49,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(ccc(c3[N+](=O)[O-])N(C)C)c3,0.0
51317,CO-ADD:0245388,1.49,C(O)(C(=O)OC1([H])C2COC(C)(C)O2)=C1O,0.0
51318,CO-ADD:0242638,1.49,[N+](=O)([O-])c1ccc(cc1C)C(=O)Oc2cccc(cccn3)c23,0.0
51319,CO-ADD:0244230,1.49,[N+](=O)([O-])c(cc(Oc(cc1)ccc1CCC(=O)NCc(cc2)ccc2OC)cc3[N+](=O)[O-])c3,0.0
51320,CO-ADD:0242789,1.49,C(/N1CCCCCC1=O)(=C(\C(F)(F)F)/C(F)(F)F)\C(F)(F)C(F)(F)F,0.0
51321,CO-ADD:0149738,1.49,CN1C(C2C3=C(N=C(CCC4)C4=C3N)OC5=C2C(CC(C)(C)C5)=O)=NC=C1,0.0
51323,CO-ADD:0244977,1.49,S(=O)(=O)(N(CC)CC)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c(ccc(c2[N+](=O)[O-])N(CC(C)C)CC(C)C)c2,0.0
51324,CO-ADD:0244419,1.49,c1([Ge](CC)(CC)CC)c(\C=N\Cc2ccccc2)[nH]nn1,0.0
51325,CO-ADD:0241914,1.49,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(ccc3c4cccc(Cl)c4Cl)o3,0.0
51326,CO-ADD:0245661,1.49,N1(C(CC(c(ccc(c2F)OC)c2)=N1)c3ccc(cc3Cl)Cl)c4scc(c(ccc(c5F)OC)c5)n4.Br,0.0
51327,CO-ADD:0240335,1.49,C(O)(c1ccccc1)(CC(CC)=O)C(F)(F)F,0.0
51328,CO-ADD:0240470,1.49,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c5ccc(cc5)Br,0.0
51329,CO-ADD:0240777,1.49,c1(cc(\C=C(/C#N)\c2[nH]c(c3n2)cccc3)c(cc1N4CCCCC4)N5CCCCC5)[N+](=O)[O-],0.0
51330,CO-ADD:0240207,1.49,N1(c2ccccc2Cl)C(=O)C(C(C1=O)C34\C=N\c5cccc(Cl)c5)C(c(c36)cccc6)c(c47)cccc7,0.0
51331,CO-ADD:0240765,1.49,N1(CCc2ccccc2)C(=O)CC(SCC(=O)Nc(cc3)ccc3Br)C1=O,0.0
51332,CO-ADD:0241483,1.49,N(CC(=O)N\N=C\c(ccc(c1[N+](=O)[O-])Sc2cccc3c2cccn3)c1)(c(cccc4)c45)c(cccc6)c6C5=O,0.0
51333,CO-ADD:0243609,1.49,c(NC(C1)=O)(nc2)c(C1c(cc3OC)c(OC)c4c3OCO4)n2c5ccc(cc5)OC,0.0
51334,CO-ADD:0243633,1.49,c1(OC)c(OC)c(OC)c(OC)cc1C(=O)O,0.0
51335,CO-ADD:0241423,1.49,N(C(=O)\C(\S1)=C/c(ccc(c2OC)OC)c2)=C1N3CCC(CC3)C,0.0
51336,CO-ADD:0245525,1.49,c1(cc(\C=C(/C#N)\c2[nH]c(c3n2)ccc(C)c3)c(cc1N(CC4)CCO4)N(CC5)CCO5)[N+](=O)[O-].CC(=O)O,0.0
51337,CO-ADD:0244550,1.49,c1(\C=N\NC(N)=S)c2c([nH]c1C)cccc2,0.0
51338,CO-ADD:0245885,1.49,n1c(N\N=C\c(cc2)ccc2N(C)C)cc(nc1N\N=C\c(cc3)ccc3N(C)C)C,0.0
51339,CO-ADD:0245554,1.49,C(NCc1ccccc1)(NC(C)=O)(C(F)(F)F)C(F)(F)F,0.0
51340,CO-ADD:0244859,1.48,C(N(CC)C(=O)N1CC)(C1N2)N3C(S\C(=C/c(cc4)ccc4Br)\C3=O)=N2,0.0
51341,CO-ADD:0241639,1.48,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)NCCc3ccccc3,0.0
51342,CO-ADD:0241984,1.48,c(c(ccc1)CC2)(c2ccc3\C=C\C(=O)OCC(=O)c4ccc(cc4)Br)c13,0.0
51343,CO-ADD:0242618,1.48,c1(N2CCCCC2)nc(N\N=C\c(ccc(c3OC)OCc4ccccc4)c3)nc(Nc5ccccc5)n1,0.0
51344,CO-ADD:0149683,1.48,NC(C(C#N)=C1C2=CC=CC=C2)=NC(SC3=CC=CC=C3)=C1C#N,0.0
51345,CO-ADD:0245466,1.48,c1(cc(Br)cc(\C=N\NC(=O)c2nonc2N)c1O)[N+](=O)[O-],0.0
51346,CO-ADD:0240576,1.48,N1(C)C(=O)CC(N(CC2)CCN2c3ccc(cc3)Cl)C1=O,0.0
51347,CO-ADD:0244632,1.48,C(=C\C=C)(/C#N)\C(OCCOc1ccccc1)=O,0.0
51348,CO-ADD:0244257,1.48,C(=O)(c1cccc(F)c1)N\N=C(\CCCCCCCCCC2)/C2,0.0
51349,CO-ADD:0244628,1.48,N1(c2cccc(c2)C(O)=O)C(=O)C(CC1=O)SC(N\N=C\c(cc3)ccc3[N+](=O)[O-])=N,0.0
51350,CO-ADD:0240599,1.48,c1(Oc(cc2)ccc2OC)snc(Cl)c1C(OCCCCCOC(=O)c3c(Cl)nsc3Oc(cc4)ccc4OC)=O,0.0
51351,CO-ADD:0240204,1.48,c1(non2)c2nc(Nc(cc3)ccc3I)c(Nc4cccc(C)c4C)n1,0.0
51352,CO-ADD:0240196,1.48,C(=C\c(ccc(c1OC)OCC(OCC)=O)c1)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
51353,CO-ADD:0243929,1.48,C(C)(=C1)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)NCCc(cc4)ccc4F)=C1O,0.0
51354,CO-ADD:0243134,1.48,N1=C(CN(CC2)CCO2)CC(Cc(cc(c3c4OCO3)OC)c4)O1.Cl,0.0
51355,CO-ADD:0244805,1.48,c1(ccc(cc1OC)SC)C(NCCOc(cc2)ccc2Cl)=O,0.0
51356,CO-ADD:0245967,1.48,c1(SCC(=O)Nc(cc2)ccc2CC)sc3c(ccc(c3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n1,0.0
51357,CO-ADD:0242019,1.48,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c(ccc(c23)OCCO2)c3)=O)c4cccs4,0.0
51358,CO-ADD:0244546,1.48,s1c(C(C)C)nnc1NC(=O)c(cccc2[N+](=O)[O-])c2,0.0
51359,CO-ADD:0242699,1.48,C(/c1c2cccc1)(=N\c3ccccc3C)\c4c2cc(C)nc4,0.0
51360,CO-ADD:0240369,1.48,N(CC(O)CN(CC1)CCO1)(C(=O)C(CC(O)CN(CC2)CCO2)C(N3CC(O)CN(CC4)CCO4)=O)C3=O,0.0
51361,CO-ADD:0244509,1.48,C(=O)(C(O)=O)C(Cl)C(=O)c1ccc(cc1)Cl,0.0
51362,CO-ADD:0241181,1.48,N(c(ccc(c1)Br)c12)=C(c3ccc(cc3)OC(C)=O)OC2=O,0.0
51363,CO-ADD:0240455,1.48,C(C#N)(C(c1ccc(C(C)(C)C)s1)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
51364,CO-ADD:0246152,1.48,c(C#N)(c(\C(\C#N)=C\c(cc(OC)c(c1)OCc2ccc(cc2Cl)Cl)c1Br)nn3c4ccccc4)c3N,0.0
51365,CO-ADD:0243059,1.48,C1(C(=O)N\N=C\c2ccccc2F)=NOC(c(cc3OC)cc(c34)OCO4)C1C,0.0
51366,CO-ADD:0243572,1.48,c(C(CNC1=O)C1C(=O)OCC)(c2)cc(OCO3)c3c2OC,0.0
51367,CO-ADD:0243588,1.48,c(OC)(ccc(CC(OC(C)=O)CC(c(cc(OC)c1c2OCO1)c2)=O)c3)c3,0.0
51368,CO-ADD:0244586,1.48,C(CC(CC1C2)CC23)(C3)(C1)OC(=O)Nc(cc4)ccc4Cc(cc5)ccc5NC(=O)OC(CC(CC67)CC8C6)(C7)C8,0.0
51369,CO-ADD:0244792,1.48,N(=C(N\N=C\CCC)NN=C1Cc2ccccc2)C1=O,0.0
51370,CO-ADD:0245652,1.48,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2cccc(OC)c2)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
51371,CO-ADD:0240494,1.48,N1(CCN(CC2)CCO2)C(=S)SC(C)(C)C1N(O)C(=O)Nc3cccc(Cl)c3,0.0
51372,CO-ADD:0240527,1.48,C(=O)(OC(C)(C)C)NC(C)C(=O)Nc(cc1)ccc1I,0.0
51373,CO-ADD:0244564,1.48,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc2ccc(c3c2\C=N\c(cc4)ccc4C)cccc3,0.0
51374,CO-ADD:0244999,1.48,S(CCc1ccccc1)(=O)(=O)N\N=C/c2c(O)ccc(cccc3)c23,0.0
51375,CO-ADD:0245664,1.48,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
51376,CO-ADD:0246012,1.48,n1c(N2CCCCCC2)c(Nc(cc3)ccc3I)nc(non4)c14,0.0
51377,CO-ADD:0241732,1.48,C(C#N)(=C(N)OC(=C12)CCCC1=O)C2c3ccc(cc3F)F,0.0
51378,CO-ADD:0245955,1.48,N1\C(=N/N=C/c2cccc(Br)c2)\SC(C)C1=O,0.0
51379,CO-ADD:0242224,1.48,N(=C\c(cc1)cc(c1OC(C)=O)OC)/N(c2ccccc2)c3ccccc3,0.0
51380,CO-ADD:0242571,1.48,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(ccc(c3Br)OC)c3)\C1=O)=O,0.0
51381,CO-ADD:0242072,1.48,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)N(c4c5cccc4)c6c(S5)cccc6)n2,0.0
51382,CO-ADD:0240681,1.48,N(/c1ccccn1)=C\c2ccccc2O,0.0
51383,CO-ADD:0240279,1.48,n1(c2ccccc2)c(SCC(=O)Nc(cc3)ccc3CC)nnc1c4ccc(c(OC)c4)OC,0.0
51384,CO-ADD:0242507,1.48,c1(N(C)C)nc(NCc2ccccc2)nc(N\N=C(/C)\c3ccc(cc3)NC(C)=O)n1,0.0
51385,CO-ADD:0240446,1.48,N1(\N=C\c(ccc(c2OC)O)c2)C(=O)C3C(C4C=CC3CC4)C1=O,0.0
51386,CO-ADD:0242826,1.48,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(c2c([nH]3)cccc2)c3)n(c4c1S(CCC)(=O)=O)ccc(c(cc5)ccn5)c4,0.0
51387,CO-ADD:0244317,1.48,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(cc3)cc(c3OC(C)=O)OC,0.0
51388,CO-ADD:0241266,1.48,c1(cc(Cl)ccc1\N=C\c2sccc2C)C(c3ccccc3)=O,0.0
51389,CO-ADD:0245725,1.48,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)OC)=C(O)C(N2c4ccc(cc4)OC)=O,0.0
51390,CO-ADD:0241006,1.48,C(=O)(Oc(cc1)c(OC)cc1C(=S)N(CC2)CCO2)c3cccc(cccc4)c34,0.0
51391,CO-ADD:0245838,1.47,S(=O)(=O)(CCO)c1cccc(c1)NC(=O)c2cccc(N)c2,0.0
51392,CO-ADD:0242399,1.47,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(=O)c3cccc(O)c3)sc(c4n1)cccc4,0.0
51393,CO-ADD:0241395,1.47,c1(c2Br)c(cc(Br)c2NC(=O)c3ccc(cc3)\N=C\c4ccccc4O)nc(c5ccc(cc5)NC(=O)c(cc6Br)cc(c6\N=C\c7ccccc7O)Br)[nH]1,0.0
51394,CO-ADD:0241055,1.47,C(=N\c(cc1)ccc1Cl)(/c2c(N3)ccc(Cl)c2)\C3=O,0.0
51395,CO-ADD:0241315,1.47,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
51396,CO-ADD:0241586,1.47,c1(Nc2cccc(C)c2C)nc(c(nc1Nc3cccc(C)c3C)ccc4[N+](=O)[O-])c4,0.0
51397,CO-ADD:0241319,1.47,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
51398,CO-ADD:0242013,1.47,C(=CNC(N1)=O)(NC(=O)c(cccc2[N+](=O)[O-])c2)C1=O,0.0
51399,CO-ADD:0240946,1.47,N(\C(=C\c1ccco1)\C(O2)=O)=C2c3ccc(cc3)Br,0.0
51400,CO-ADD:0240814,1.47,N1(c2ccccc2)CC(CC1=O)C(=O)NC3CC3,0.0
51401,CO-ADD:0240240,1.47,N1(NC(=O)c2ccc(cc2)OC)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
51402,CO-ADD:0242105,1.47,N1(c2ccc(cc2)C)C(=O)CSC1c3ccc(cc3)Cl,0.0
51403,CO-ADD:0242545,1.47,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c3ccco3)\C1=O)=O,0.0
51404,CO-ADD:0243636,1.47,c(C)(cc1COC)nc2c1c(N)c(c(onc3Cc(cc(OC)c4c5OCO4)c5OC)n3)s2,0.0
51405,CO-ADD:0242132,1.47,N(CCN1C(=O)CN(CC2)CCO2)(C(=O)c3ccc(cc3)C)C1,0.0
51406,CO-ADD:0242979,1.47,C(CC)(=O)Nc(cc1)ccc1Cc(cc2)ccc2NC(CC)=O,0.0
51407,CO-ADD:0241097,1.47,c1(cccc(C)c1OC)C(=O)NCc(ccc(c23)OCO2)c3,0.0
51408,CO-ADD:0241317,1.47,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
51409,CO-ADD:0244373,1.47,N1(OS(=O)(=O)c2ccc(c3c2)cccc3)C(=O)c(c4C1=O)cccc4,0.0
51410,CO-ADD:0241103,1.47,C1(=C(O)CC(C)(C)CC1=O)C(c2cc(Br)ccc2O)C3C(=O)CC(CC3=O)(C)C,0.0
51411,CO-ADD:0245098,1.47,C(=O)(CC(c1ccccc1)C(C#N)C#N)c2cc(C)ccc2C,0.0
51412,CO-ADD:0245922,1.47,[N+](=O)([O-])c(cc1)ccc1c2ccc(o2)\C=C(\C(NC)=O)/NC(=O)c3ccc(cc3)C,0.0
51413,CO-ADD:0241199,1.47,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NCC(OCc(ccc(c2Cl)Cl)c2)=O,0.0
51414,CO-ADD:0245640,1.47,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2cccc(F)c2)n3c(cccc3)c1S(CCC)(=O)=O,0.0
51415,CO-ADD:0241295,1.47,C1(=S)N\C(\C2(CCCC2)N1c3ccccc3C)=N/c4cccc(C)c4,0.0
51416,CO-ADD:0149601,1.47,O=C(C1=CC2=CC(OCCCC3CCN(CC4=CC=CC=C4)CC3)=CC=C2N1)OCC.Cl,0.0
51417,CO-ADD:0242464,1.47,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
51418,CO-ADD:0241871,1.47,c12c(non1)nc(Nc3ccccc3C)c(N\N=C\c4ccccc4C(F)(F)F)n2,0.0
51419,CO-ADD:0240686,1.47,N(C(=O)c1ccc(cc1)C)c2sccn2,0.0
51420,CO-ADD:0243060,1.47,C1(C(=O)N\N=C\c(cc2)ccc2OCC)=NOC(c(cc3OC)cc(c34)OCO4)C1C,0.0
51421,CO-ADD:0243172,1.47,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CN4CCCCCC4)O3)OC.Cl,0.0
51422,CO-ADD:0242152,1.47,N(C)(c1c(cc(C(OCC)=O)c(C)n1)C(N2C)=O)C2=O,0.0
51423,CO-ADD:0240552,1.47,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2c4ccccc4C)=O,0.0
51424,CO-ADD:0242142,1.47,n1(c(C)c(nn1)\C(\C)=N\N=C\c(cc2)ccc2F)c3nonc3N,0.0
51425,CO-ADD:0242901,1.47,c1(c(cc2)ccn2)cc3c(ccc(C)c3)[nH]1,0.0
51426,CO-ADD:0242139,1.47,N1C(SCC(=O)Nc2ccccn2)=NN=C(C)C1=O,0.0
51427,CO-ADD:0241928,1.47,C(c1ccccc1)(=O)NCC(=O)N\N=C\c(cc2)ccc2OCc3ccccc3Cl,0.0
51428,CO-ADD:0241622,1.47,c1(s2)c(ccc(c3cccs3)n1)c(n2)Br,0.0
51429,CO-ADD:0242273,1.47,c1(N(CC2)CCO2)nc(N\N=C\c(cc(Br)cc3Br)c3O)nc(Nc(ccc(c4Cl)C)c4)n1.CC(=O)O,0.0
51430,CO-ADD:0242421,1.47,N1(CC(O)CC(C(C)(C)C)C1)C(C)(C)C.Cl,0.0
51431,CO-ADD:0240812,1.47,s1c(c2ccc(cc2)C)nnc1NC(=O)c3ccc(c(OC)c3)OC,0.0
51432,CO-ADD:0241825,1.47,c1(N(C)C)nc(N\N=C\c2cc(Br)ccc2OC)nc(NCc3ccccc3)n1,0.0
51433,CO-ADD:0241628,1.47,c1(sccn1)NC(CSc2nc(C)cc(C)n2)=O,0.0
51434,CO-ADD:0244295,1.47,N(=C\c(ccc(c1OC)C)c1)/NC(CCCc(cc2)ccc2OC)=O,0.0
51435,CO-ADD:0149607,1.47,C=CCNCC1=CC2=CC(OCCCC3CCN(CC4=CC=CC=C4)CC3)=CC=C2N1.O.OC(=O)C(=O)O.OC(=O)C(=O)O,0.0
51436,CO-ADD:0153071,1.46,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC(OC)=CC=C3)=O)C=C1C(NC4=CN(C(C)C)C(C(NCCN5CCOCC5)=O)=C4)=O.OC(C(F)(F)F)=O,0.0
51437,CO-ADD:0153045,1.46,O=C(N([H])C1=CN(C)C(C(N(C2=CN(C)C(C(N([H])CCC(N)=N)=O)=C2)[H])=O)=C1)C3=CC=C(C(OC)=O)C=C3.OC(C(F)(F)F)=O,0.0
51438,CO-ADD:0149752,1.46,NC(OC1=C2C(C=CC=C3)=C3C=C1)=C(C2C4=CC=CC=C4)C#N,0.0
51439,CO-ADD:0240727,1.46,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c2ccccc2OCC(OCC)=O,0.0
51440,CO-ADD:0240803,1.46,S1(=O)(=O)c(cccc2)c2C(SCCOC(=O)c3ccc(cc3Cl)Cl)=N1,0.0
51441,CO-ADD:0242033,1.46,N1(c2ccccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cccc(cccc5)c45,0.0
51442,CO-ADD:0242287,1.46,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc(Br)c(c3Br)O)c3O,0.0
51443,CO-ADD:0242103,1.46,C(c1ccccc1)(=O)Nc2cccc(N)c2,0.0
51444,CO-ADD:0242266,1.46,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(ccc(c4[N+](=O)[O-])N(C)C)c4)nc(Nc(cc5)ccc5C)n1.Cl,0.0
51445,CO-ADD:0242232,1.46,[N+](=O)([O-])c(cc1)cc(c1c2ccc(\C=N\NC(=O)c(cccn3)c3)o2)Cl,0.0
51446,CO-ADD:0244755,1.46,c1(nnc(C)s1)NC(=O)c2cc(c3o2)cccc3,0.0
51447,CO-ADD:0242751,1.46,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3sc(c(c4ccc(cc4)Cl)n3)C,0.0
51448,CO-ADD:0240650,1.46,n1(C(C)=O)c2c(c(nc3c(cccc3)n4)c14)cccc2,0.0
51449,CO-ADD:0241390,1.46,N(C(C)C1)(CC(N1C(=O)c(c(OC)cc(c2[N+](=O)[O-])N(C)C)c2)C)C(=O)c(c(OC)cc(c3[N+](=O)[O-])N(C)C)c3,0.0
51450,CO-ADD:0242297,1.46,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c4ccc(cc4Cl)Cl)o3.Cl,0.0
51451,CO-ADD:0240770,1.46,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc(cc2)ccc2c3nnc(c4ccccc4)o3,0.0
51452,CO-ADD:0243869,1.46,C(c(c1)ccc(C)c1)(=O)\C=C\c(c2OC)cc(OC)c3c2OCO3,0.0
51453,CO-ADD:0243581,1.46,c(OCO1)(c1c2OC)c(OC)c(C(c3ccccc3)=NC4C)c2C4,0.0
51454,CO-ADD:0243570,1.46,c(OC1)(c(OC)cc2CC(O)CO)c(O1)c2,0.0
51455,CO-ADD:0245753,1.46,C(C(F)(F)F)(N1)=C(\C=N\CCCCCCCC)C(N1c(cc2)ccc2[N+](=O)[O-])=O,0.0
51456,CO-ADD:0244982,1.46,S(=O)(=O)(NCC1CCCO1)c2cccc(nsn3)c23,0.0
51457,CO-ADD:0242116,1.46,c1(C(=O)Nc2ccc(cc2OC)OC)c(Cl)c(c3s1)ccc(c3)[N+](=O)[O-],0.0
51458,CO-ADD:0242274,1.46,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)nc(Nc(ccc(c4Cl)C)c4)n1,0.0
51459,CO-ADD:0242257,1.46,C(F)(F)(F)c1ccccc1\C=N\NC(=O)Nc2ccccc2,0.0
51460,CO-ADD:0242225,1.46,c1(c(cccc2C(O)=O)c2)ccc(\C=N\NC(=O)c(cccn3)c3)o1,0.0
51461,CO-ADD:0242208,1.46,C(=O)(c1ccc(cc1)F)Nc(cc2)ccc2C(OCCCCCC)=O,0.0
51462,CO-ADD:0245582,1.46,C(C#N)(C1c2ccc(cc2)OCC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
51463,CO-ADD:0245915,1.46,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)CC(Cl)c2ccccc2,0.0
51464,CO-ADD:0245581,1.46,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C/c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)n1,0.0
51465,CO-ADD:0153053,1.46,CC1=NC(N)=C(CN2N=NC(CC(P(OCC)(OCC)=O)C(O)=O)=C2)C=N1.OC(C(F)(F)F)=O,0.0
51466,CO-ADD:0149586,1.46,CCOC1=NC(N=C(CCC2=CC=CC=C2)C=C3)=C3C(C4=CC=CC=C4)=C1C#N,0.0
51467,CO-ADD:0149797,1.46,NC1=NC=CC=C1C#N,0.0
51468,CO-ADD:0153038,1.46,O=C(N([H])C1=CN(C)C(C(N(C2=CN(C)C(C(N([H])CCCN(C)C)=O)=C2)[H])=O)=C1)CCC(OC)=O.OC(C(F)(F)F)=O,0.0
51469,CO-ADD:0153040,1.46,CN1C=C(NC(C2=CC=C(C(OC)=O)C=C2)=O)C=C1C(NC3=CN(C)C(C(NCCN4CCOCC4)=O)=C3)=O.OC(C(F)(F)F)=O,0.0
51470,CO-ADD:0243421,1.46,c(c(OCO1)c1c(Br)c2C3C(C)C(C(O)=O)=NO3)(OC)c2Br,0.0
51472,CO-ADD:0243297,1.46,c1(OC(N)=C(C2c(cc(c3c4OCO3)OC)c4)C#N)c2c([nH]n1)CC,0.0
51473,CO-ADD:0243180,1.46,C(C1ON=C(C(=O)N\N=C\c(c2)c(C(F)(F)F)ccc2)C1)c(c3OC)cc(OC)c4c3OCO4,0.0
51474,CO-ADD:0243252,1.46,c1(c(OC)c(c(OCO2)c2c1Br)OC)C(ON=C3C(OCC)=O)C3C,0.0
51478,CO-ADD:0243019,1.46,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCc(cc4)ccc4OC)O3)OC,0.0
51480,CO-ADD:0243537,1.46,c(C(CN)CC(O)=O)(c1)c(OC)c(OCO2)c2c1OC.Cl,0.0
51481,CO-ADD:0243223,1.46,c(OCO1)(c2OC)c1c(c(\C=N\NC(=O)c(cccc3[N+](=O)[O-])c3)c2CC(C)Cl)OC,0.0
51482,CO-ADD:0243655,1.46,c(OC)(cc1)ccc1C\C(=N\OC(c(c2)cc(OC)c3c2OCO3)=O)\N,0.0
51483,CO-ADD:0243263,1.46,c(OC1)(c(OC)cc2CC(=O)NC(CCC)CCC)c(O1)c2OC,0.0
51484,CO-ADD:0243738,1.45,c(N1)(nc2)c(C(c(cc3OC)cc4c3OCO4)CC1=O)n2c5ccc(cc5)OC,0.0
51485,CO-ADD:0243354,1.45,c(c[nH]n1)(C(CC(N2)=O)c(cc3OC)cc(c34)OCO4)c12,0.0
51486,CO-ADD:0243903,1.45,C(C(=O)N1)(C(c2c(OC)c3c(OCO3)c(OC)c2)CC(=O)NCc4ccco4)=C(O)C(C(=O)OCC)=C1,0.0
51487,CO-ADD:0243720,1.45,N1C(=C2C(c(cc(OCO3)c34)c(OC)c4OC)C([N+]([O-])=O)C1=O)N(NC2=O)C(C)C,0.0
51489,CO-ADD:0243225,1.45,c(OC1)(c(OC)cc2CCO)c(O1)c2OC,0.0
51492,CO-ADD:0243539,1.45,c(C=O)(c1O)c(OC)c(OCO2)c2c1OC,0.0
51493,CO-ADD:0243226,1.45,c(OC1)(c(OC)cc2CC=O)c(O1)c2OC,0.0
51494,CO-ADD:0243555,1.45,c(cn1)(C(CC2=O)c3cc(OC)c(OCO4)c4c3)c(n1C)N2,0.0
51495,CO-ADD:0243684,1.45,n(c1c(c2c3cc(OCO4)c4c(OC)c3OC)N(C)C(N1)=O)c(c2C5=O)N(C(C)C)N5,0.0
51497,CO-ADD:0243693,1.45,N(CCO1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3cccc(OC)c3)C2c(c4)c(OC)c(OCO5)c5c4OC,0.0
51498,CO-ADD:0243325,1.45,C(/c1cc(OC2)c(O2)c(OC)c1)=C\C(c3c(O)cc(OC)cc3)=O,0.0
51499,CO-ADD:0243532,1.45,C1(N2CC(OC)=O)=C(C(CC(=O)N1c3cc(OC)ccc3)c(cc(c4c5OCO4)OC)c5)SC2=O,0.0
51500,CO-ADD:0243719,1.45,N(CCO1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3cc(OCO4)c4cc3)C2c5cc(OCO6)c6c(OC)c5,0.0
51501,CO-ADD:0243675,1.45,C1(SC(C)=NC(N(C2CCCCCC2)NC3=O)=C13)c(cc(c4c5OCO4)OC)c5,0.0
51503,CO-ADD:0243181,1.45,C(C1ON=C(c(c2)ccc(Cl)c2)C1)c(c3\C=N/NC(=O)Cc(c4)cccc4)c(OC)c(OC)c5c3OCO5,0.0
51504,CO-ADD:0243741,1.45,c1c(C)nc2c(c(N)c(C3=NOC(Cc(cc4c(OCO4)c5OC)c5OC)C3)s2)c1C,0.0
51505,CO-ADD:0243779,1.45,n(ccc1CN(C(=O)C(O)=C2C(=O)c3cc(OCO4)c4cc3)C2c(c5)cc(OCO6)c6c5OC)cc1,0.0
51506,CO-ADD:0243258,1.45,c(OC)(cc1CCC)c(OC2)c(O2)c1OC,0.0
51507,CO-ADD:0243203,1.45,c(Br)(c1OC)c(CC2CC(C(=O)N\N=C/c(c3)ccc(OC)c3)=NO2)c(OC)c(OCO4)c14,0.0
51510,CO-ADD:0243661,1.45,c(cc1O)(Oc2c(c(N)c(C#N)c(N)n2)C3c(cc4c5OCO4)c(OC)c5OC)c3cc1,0.0
51512,CO-ADD:0236463,1.45,n(c1C)(nnc1C(=O)N\N=C\c2cccc(Cl)c2Cl)c3nonc3N,0.0
51513,CO-ADD:0233543,1.45,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccccc2C)=O)OC(c3ccccc3)=O)c1,0.0
51514,CO-ADD:0234449,1.45,C1(C(F)F)=CC(c2c(cc(C)cc2)O1)=O,0.0
51515,CO-ADD:0234876,1.45,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(=O)Cc3cccc(cccc4)c34)Br,0.0
51516,CO-ADD:0236902,1.45,c1(ccc(cc1OC)SC)C(=O)Nc(cc2)ccc2OCC,0.0
51517,CO-ADD:0236032,1.45,c1(NC(=O)c2ccccc2I)sc(c3c1C#N)CCCC3,0.0
51518,CO-ADD:0227906,1.45,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2CC)N3CCCC3,0.0
51519,CO-ADD:0225235,1.44,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc4c(C)cccc4C)C2=O,0.0
51520,CO-ADD:0226284,1.44,S(=O)(=O)(N(Cc(cc1F)cc(c1)F)c2ccc(c(F)c2)F)c(ccc(n3c4)nn4)c3,0.0
51521,CO-ADD:0237135,1.44,CCOc1ccc(cc1)c2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2C,0.0
51522,CO-ADD:0237088,1.44,CC(C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1)c1ccccc1,0.0
51523,CO-ADD:0231498,1.44,c1(oc(c2n1)ccc(c2)\N=C\c(cc(OCO3)c3c4)c4Br)c5ccc(cc5Cl)F,0.0
51524,CO-ADD:0237344,1.44,Cc1nc(nc(NCCc2ccc(cc2)S(=O)(=O)C)c1Cl)c3ccccn3,0.0
51525,CO-ADD:0237259,1.44,Cc1cc(NCCc2ccccc2)nc(NC(=N)Nc3ccc(Cl)cc3)n1.C(=O)[O-],0.0
51526,CO-ADD:0236770,1.44,C(=O)(C(c1ccccc1)c2ccccc2)N(CC3)CCN3Cc4ccccc4,0.0
51527,CO-ADD:0231791,1.44,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)c4cccc(Cl)c4Cl,0.0
51528,CO-ADD:0225424,1.44,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(cc5)ccc5OCC)=O,0.0
51529,CO-ADD:0226193,1.44,N12C(C=C(C)N=C1c(cc3)ccc3C(F)(F)F)=NN(CC(=O)NCc4ccccc4)C2=O,0.0
51530,CO-ADD:0236671,1.44,n1(nnnc1N)C(C2c(cccn3)c3)=C(c4ccccc4)OC(N)=C2C#N,0.0
51531,CO-ADD:0227760,1.44,C(=C\c(ccc(c1Br)OC)c1)(/C2=O)\Sc(c23)cccc3,0.0
51532,CO-ADD:0229799,1.44,c(C(OCC)=O)(s1)c(NC(C)=O)c2c1\C(=N/O)\C(CC2)Sc3ccccc3,0.0
51533,CO-ADD:0234433,1.44,C12(OCCO1)c3c(N(CCCCN(c(cccc4)c4C56OCCO5)C6=O)C2=O)cccc3,0.0
51534,CO-ADD:0231637,1.44,c1(C(=O)N\N=C\c(ccc(c2OCC)O)c2)nn(c(c3ccccc3)n1)c4ccccc4,0.0
51535,CO-ADD:0233332,1.44,C1(=O)C(C)(c2ccc(cc2)OCCC(C)C)CC(=O)N1,0.0
51536,CO-ADD:0234305,1.44,c1(\C=N\NC(COc2c(C)cccc2C)=O)c3c(cccc3)cc(cccc4)c14,0.0
51537,CO-ADD:0226301,1.44,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(cc2)Cl)c(ccc3n4c(C)nn3)c4,0.0
51538,CO-ADD:0229060,1.44,[N+](=O)([O-])c(c1)cc(c(O)c1C=O)I,0.0
51539,CO-ADD:0234186,1.44,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5cccc(Br)c5)OC,0.0
51540,CO-ADD:0236533,1.44,C(C(OCCCC)=O)(C1c2ccccc2)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
51541,CO-ADD:0231318,1.44,S(=O)(=O)(c1ccc(cc1)C)Oc2ccccc2\C=N/c(ccc(c3C)C)c3,0.0
51542,CO-ADD:0227175,1.44,[N+](=O)([O-])c1cccc(\C=N\c2cc(ccc2O)Cc(ccc(c3\N=C\c(cccc4[N+](=O)[O-])c4O)O)c3)c1O,0.0
51543,CO-ADD:0237235,1.44,O=C(Nc1ccccc1N2CCOCC2)[C@@H](Cc3ccccc3)NC(=O)c4cccs4,0.0
51544,CO-ADD:0237317,1.44,Nc1nccc2ccc(cc12)c3ccc4nccn4c3,0.0
51545,CO-ADD:0237101,1.44,Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC3CCCCCC3,0.0
51546,CO-ADD:0232946,1.44,N(c1ccccn1)C(COc(cc2)ccc2\C=N\c(cc3)ccc3Nc4ccccc4)=O,0.0
51547,CO-ADD:0234863,1.44,C(=O)(Oc1cccc(c1)\C=N\NC(=O)Cc2cccc(cccc3)c23)c4ccccc4Br,0.0
51548,CO-ADD:0234326,1.44,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Br)cc3Cl)c3O)c4cccc(Cl)c4Cl,0.0
51549,CO-ADD:0231325,1.44,S(=O)(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(OCC)=O,0.0
51550,CO-ADD:0236540,1.44,C1(C#N)(C#N)[C@@H](c2cccc(F)c2)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)c5ccc(cc5)F,0.0
51551,CO-ADD:0234913,1.44,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(ccc(c2Br)OC)c2)[N+](=O)[O-])[N+](=O)[O-],0.0
51552,CO-ADD:0234770,1.44,c1(C(OC)=O)c(c2ccc(cc2)Cl)c([nH]c1C)C,0.0
51553,CO-ADD:0229774,1.44,c(N(C)C)(c1)nc(c2c1NC(CN(C)C)=O)cccc2,0.0
51554,CO-ADD:0227237,1.44,c(cc(I)cc1I)(\C=N\c(cc2)ccc2F)c1O,0.0
51555,CO-ADD:0229660,1.44,c1(OC(C)=O)cc(ccc1\C=N\NC(COc(cc2)ccc2F)=O)OC(C)=O,0.0
51556,CO-ADD:0229599,1.44,C(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCN2c3ccccc3,0.0
51557,CO-ADD:0226183,1.44,S(=O)(=O)(N(Cc1cccc(Cl)c1)c2ccc(c(F)c2)F)c3cccn(c(nn4)C)c34,0.0
51558,CO-ADD:0229571,1.44,N1(c(cc2)ccn2)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
51559,CO-ADD:0226154,1.44,S(=O)(=O)(N(Cc1cccc(F)c1)c2cc(C)cc(C)c2)c3cccn(c(nn4)C)c34,0.0
51560,CO-ADD:0237187,1.44,CNC(=O)c1nn(C)c2c3nc(Nc4ccc(cc4)N5CCN(C)CC5)ncc3CC(C)(C)c12,0.0
51561,CO-ADD:0237269,1.44,O=C(C1CCN(CC1)c2cc(ncn2)n3cccc3)N4CCc5ccccc5C4,0.0
51562,CO-ADD:0232896,1.44,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)Nc(cc3)ccc3OC,0.0
51563,CO-ADD:0231065,1.44,[N+](=O)([O-])c1ccccc1C(=O)OCc(cc2)ccc2[N+](=O)[O-],0.0
51564,CO-ADD:0233277,1.44,S(=O)(=O)(Nc(cc1)ccc1c(cc2)ccc2NS(=O)(=O)c(ccc(c3[N+](=O)[O-])C)c3)c(ccc(c4[N+](=O)[O-])C)c4,0.0
51565,CO-ADD:0234568,1.44,C(=O)(c1ccc(cc1)F)c2cccc(c2)\N=C/c3ccccc3,0.0
51566,CO-ADD:0233041,1.44,N1(c(cccc2C(=O)OCC(=O)c(cc3)ccc3c4ccccc4)c2)Cc5c(cccc5)C1,0.0
51567,CO-ADD:0232984,1.44,c(C(O)=O)(c1)oc(c1CSC(C)CC)C,0.0
51568,CO-ADD:0231836,1.44,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(cc(Cl)cc4Br)c4O,0.0
51569,CO-ADD:0225893,1.44,N12C(C=CC(c3ccc(cc3)C)=N1)=NN(CC(=O)Nc4ccc(cc4F)Cl)C2=O,0.0
51570,CO-ADD:0236908,1.44,C1(C(OC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCC(=O)N3CCCCC3,0.0
51571,CO-ADD:0236068,1.44,C12C(C1C(=O)N\N=C/c3c4c([nH]c3C)cccc4)CCCC2,0.0
51572,CO-ADD:0236835,1.44,c(c1ccc2C(=O)OCC(=O)c(cc3)ccc3[N+](=O)[O-])(c24)N(CC(CC=C5)C15)CC(CC=C6)C46,0.0
51573,CO-ADD:0233686,1.44,[P+](c1ccc(cc1)C)(c2ccc(cc2)C)(c3ccc(cc3)C)CC(=O)c4cccc(c4)NC(C)=O.[Br-],0.0
51574,CO-ADD:0227317,1.44,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(COc(cc2)c(Br)cc2[N+](=O)[O-])=O,0.0
51575,CO-ADD:0234845,1.44,c1(c(Br)cc(cc1\C=N\NC(CNc(cc2)ccc2C)=O)Br)OC(=O)c3cccc(F)c3,0.0
51576,CO-ADD:0236227,1.44,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC(=O)NC(C)(C)C)c3ccccc3,0.0
51577,CO-ADD:0234841,1.44,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(CNc(cc3)ccc3C)=O,0.0
51578,CO-ADD:0237189,1.44,CC(=O)NC[C@@H]1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2,0.0
51579,CO-ADD:0237192,1.44,Cc1onc(c1)C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2,0.0
51580,CO-ADD:0237273,1.43,CCc1ccc(cc1)C(NCc2nc(N)nc(n2)N(C)C)C(C)C,0.0
51581,CO-ADD:0237274,1.43,CCNC(=O)C(C)Nc1nc(nc2sc(C)c(C)c12)c3cccnc3,0.0
51582,CO-ADD:0226133,1.43,S(=O)(=O)(N(Cc1ccccc1)c2ccc(cc2)CC)c3cccn(c(nn4)CC)c34,0.0
51583,CO-ADD:0229283,1.43,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc5c6c(Cl)ccc(c6)[N+](=O)[O-])o5,0.0
51584,CO-ADD:0236829,1.43,N1(C2CCCCCCC2)C(=O)c(cc3)c(c(c4)C1=O)c(c3C5=O)c(c4)C(N5C6CCCCCCC6)=O,0.0
51585,CO-ADD:0236906,1.43,c1(cc(nn2)c3cc(c4o3)cccc4)c2c(c5C1=O)cccc5,0.0
51586,CO-ADD:0236663,1.43,n1c(cccc2)n2cc1c(cccc3NC(=O)c4ccc(cc4)Br)c3,0.0
51587,CO-ADD:0234337,1.43,c(cc1)ccc1C(=O)N(c2ccc(cc2)C)CC(C)\C(\Nc(cc3)ccc3C)=N\c(cc4)ccc4C.Cl,0.0
51588,CO-ADD:0237025,1.43,OCC(C)(C)[C@@H](O)C(NCCC(NNCC1=CC=CC=C1)=O)=O,0.0
51589,CO-ADD:0227683,1.43,c1(nc(c2n1CC(=O)N\N=C\c(ccc(c3)N(CC)CC)c3OC)cccc2)c4nonc4N,0.0
51590,CO-ADD:0228988,1.43,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3ccccc3F,0.0
51591,CO-ADD:0229072,1.43,C(=O)(c1ccc(cc1)Cl)Nc(cc2)ccc2C(=O)N\N=C\c(cc3)ccc3OC,0.0
51592,CO-ADD:0236035,1.43,c1(SCC(=O)Nc2cccc(OC)c2)oc(c3n1)cccc3,0.0
51593,CO-ADD:0233682,1.43,C(=O)(N(CCCCC)CCCCC)Nc1ccccc1,0.0
51594,CO-ADD:0233483,1.43,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2Cl)=O)N(CC(C)C)CC(C)C)c1,0.0
51595,CO-ADD:0236628,1.43,C(C#N)(=C(S)NC(=C1C#N)N)C12CCN(CC2)C,0.0
51596,CO-ADD:0236550,1.43,c1(C#N)c(c2ccccc2)cc(nc1SCc(ccc(c3F)F)c3)c4ccccc4Cl,0.0
51597,CO-ADD:0232932,1.43,C(=O)(N\N=C\c1cccs1)C(=O)N2CCCCC2,0.0
51598,CO-ADD:0236620,1.43,C(C#N)([C@H](c1cccs1)[C@H]2C(OCC)=O)=C(SCC(=O)NC3CC3)N[C@]2(C)O,0.0
51599,CO-ADD:0225373,1.43,c12n(ccn(nc(c3ccccc3)c4)c14)c(nn2)SCC(=O)NCc(cc5)ccc5OC,0.0
51600,CO-ADD:0226934,1.43,C1(=N2)N(c3c(cccc3)N=C1Sc4cccc(OC)c4)C(N2CC(=O)Nc(cc5)ccc5Cl)=O,0.0
51601,CO-ADD:0236802,1.43,C(=O)(Nc(cc1)ccc1C#N)c2ccccc2C(O)=O,0.0
51602,CO-ADD:0231053,1.43,N1(CNc2ccccc2C(OC)=O)C(=O)\C(\SC1=O)=C\c3cccc(F)c3,0.0
51603,CO-ADD:0236639,1.43,c1(C#N)c(SCc2cccc(F)c2)nsc1SCc3cccc(F)c3,0.0
51604,CO-ADD:0236608,1.43,c1(C#N)c(SCc2ccccc2Br)nsc1SCc3ccccc3Br,0.0
51605,CO-ADD:0231428,1.43,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2cccc(C)c2)=O)c3ccccc3Br,0.0
51606,CO-ADD:0231409,1.43,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
51607,CO-ADD:0219078,1.43,c1(O)c(OC)cc(cc1Br)\C=N\c(cc2)ccc2C,0.0
51608,CO-ADD:0221441,1.43,n1cc(CCSCC(O)=O)ccc1C,0.0
51609,CO-ADD:0234189,1.43,c1(\C=N/NC(COc(ccc(c2C)C)c2)=O)c3c(cccc3)cc(cccc4)c14,0.0
51610,CO-ADD:0237027,1.43,OC(C(NCCC(NCCC1=CC=CC=C1)=O)=O)C(C)(C)C[H],0.0
51611,CO-ADD:0222511,1.43,n1c(ccc(c2)\N=C\c(cc(Cl)cc3Cl)c3O)c2oc1c4ccc(cc4)OC,0.0
51612,CO-ADD:0234442,1.43,c1(C#N)c2c(sc1\N=C\c3ccc(I)s3)CC(C)CC2,0.0
51613,CO-ADD:0234414,1.43,C1(OCCO1)(C2=O)c3c(N2CC(C)=C)ccc(Br)c3,0.0
51614,CO-ADD:0236860,1.43,n1(c2ccccc2)nnnc1SCC(=O)Nc(cc3)ccc3C(C)C,0.0
51615,CO-ADD:0231192,1.43,C1(\N=C\c(cc2)ccc2OS(=O)(=O)c(cccc3[N+](=O)[O-])c3)=C(C)N(N(c4ccccc4)C1=O)C,0.0
51616,CO-ADD:0229572,1.43,N1(c2ccccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cccc4[N+](=O)[O-])c4,0.0
51617,CO-ADD:0227440,1.43,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\C=C\c2ccccc2,0.0
51618,CO-ADD:0236750,1.43,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc2ccccc2)c3c(OC)ccc(OC)c3,0.0
51619,CO-ADD:0236389,1.43,S(=O)(=O)(N(CC1)CCN1S(=O)(=O)c2c(C)ccc(c2)[N+](=O)[O-])c3c(C)ccc(c3)[N+](=O)[O-],0.0
51620,CO-ADD:0232936,1.43,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2Cl)\C(N1CC(C)C)=O,0.0
51621,CO-ADD:0237047,1.43,FC(F)(F)C1=C(C(N2CCCCC2)=O)N(C=CC=C3OC)C3=N1,0.0
51622,CO-ADD:0237050,1.43,Cc1nn2C(=O)C3=C(CCCC3)Nc2c1c4ccc(Cl)cc4,0.0
51623,CO-ADD:0237163,1.42,Cc1onc(c1)C(=O)Nc2ccc(cc2)c3ccccc3,0.0
51624,CO-ADD:0236467,1.42,n(c1C)(nnc1C(=O)N\N=C(\C2)/c3c(CC2)cccc3)c4nonc4N,0.0
51625,CO-ADD:0227122,1.42,c1(c(Br)cc(cn1)Br)NC(=O)CN(CC2)CCN2CC(=O)Nc3c(Br)cc(cn3)Br,0.0
51626,CO-ADD:0234135,1.42,c(c1)(c(N(C)C)cc(OC)c1C(=O)N(CC2)CCN2c(cc3)c(Cl)cc3[N+](=O)[O-])[N+](=O)[O-],0.0
51627,CO-ADD:0234071,1.42,c1(c(C)ccc(c1)NC(OCCCCCCCCCC)=O)NC(OCCCCCCCCCC)=O,0.0
51628,CO-ADD:0237015,1.42,OCC(C)(C)[C@@H](O)C(NCCC(NCCCCCCC)=S)=O,0.0
51629,CO-ADD:0233461,1.42,c(cc(Br)cc1Cl)(\C=N\c2cc(C)ccc2C)c1O,0.0
51630,CO-ADD:0233403,1.42,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(COc3c(C)cccc3C)=O,0.0
51631,CO-ADD:0234134,1.42,[N+](=O)([O-])c1ccc(c(Cl)c1)NCC(C)N,0.0
51632,CO-ADD:0236134,1.42,N1(C(c2ccccc2)=O)C(c3ccc(cc3)Br)C(CC=C4)C4c(cc(Br)cc5)c15,0.0
51633,CO-ADD:0236020,1.42,N1(COC(COc(ccc2c3OC(C=C2C)=O)c3)=O)C(=O)c4c(cccc4)C1=O,0.0
51634,CO-ADD:0234553,1.42,C(/C#N)(\c1ccc(c(OC)c1)OC)=C/N(CC2)CCO2,0.0
51635,CO-ADD:0231091,1.42,C(c1ccccc1)(=O)NCC(=O)NCC(NCCCCCC)=O,0.0
51636,CO-ADD:0237164,1.42,O=C(NC1CC1)c2ccc(nc2)N3CCC(Cc4ccccc4)CC3,0.0
51637,CO-ADD:0237281,1.42,FC(F)(F)c1cccc(c1)c2nc3c(NCc4ccncc4)nccc3[nH]2,0.0
51638,CO-ADD:0237363,1.42,CN1CCN(CC1)c2nccc3[nH]c(cc23)c4cccc(F)c4,0.0
51639,CO-ADD:0229826,1.42,C1(=S)NC(C)(C)C=C(C)N1c2ccc(c3c2)cccc3,0.0
51640,CO-ADD:0229779,1.42,C(=O)(N(CC1)CCN1c2ccccn2)c3ccccc3Br,0.0
51641,CO-ADD:0234110,1.42,C(=O)(C(CC(C)C)NC(OCc1ccccc1)=O)NC(CC(C)C)C(OC)=O,0.0
51642,CO-ADD:0236537,1.42,n1c2c(oc1Cc3ccccc3)ccc(c2)NC(=O)c4ccc(cc4)Cl,0.0
51643,CO-ADD:0234210,1.42,c1(c(OC)cc(c(\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c1)OC)[N+](=O)[O-],0.0
51644,CO-ADD:0234701,1.42,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2\C=N\NC(=O)Cc3cccc(cccc4)c34)Br,0.0
51645,CO-ADD:0233659,1.42,N1\C(=N/N=C/c2ccc(cc2OCC)OCC)\S\C(=C/c(cccc3C(F)(F)F)c3)\C1=O,0.0
51646,CO-ADD:0234365,1.42,[n+]1(CCCC)c(c2ccccc2)cc(cc1c3ccccc3)c4ccccc4,0.0
51647,CO-ADD:0236912,1.42,C(/CC1C)(=N/NC(=O)c2ccco2)\c3c(C1)cc(OC)cc3,0.0
51648,CO-ADD:0234045,1.42,[P+](c1ccccc1)(c2ccccc2)(c3ccccc3)CC(=O)c4cccc(N)c4.[I-],0.0
51649,CO-ADD:0234650,1.42,c1(oc(c2n1)ccc(c2)NC(=O)c3ccc(cc3Cl)Cl)c4ccc(cc4Cl)F,0.0
51650,CO-ADD:0233150,1.42,c1(cccc2SC)c2cccc1SC,0.0
51651,CO-ADD:0234212,1.42,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(COc(ccc(c2C)C)c2)=O)Br,0.0
51652,CO-ADD:0236395,1.42,N(\C(=C\c(cc1)ccc1OC)\C(O2)=O)=C2c3ccc(cc3)Cl,0.0
51653,CO-ADD:0236858,1.42,n1(c2ccccc2)nnnc1SCc3cccc(Br)c3,0.0
51654,CO-ADD:0234314,1.42,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccc(cc2Br)Cl)=O)c3ccccc3Cl,0.0
51655,CO-ADD:0236041,1.42,c12c(cccc1[N+](=O)[O-])C(N(CCCC(=O)Nc3cccc(cccc4)c34)C2=O)=O,0.0
51656,CO-ADD:0234151,1.42,n1c2c(oc1c3ccc(cc3)\N=C\c(cccc4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])c4)cccc2C,0.0
51657,CO-ADD:0225367,1.42,c12n(ccn(nc(c3ccccc3)c4)c14)c(nn2)SCC(=O)Nc5ccc(cc5C)C,0.0
51658,CO-ADD:0226297,1.42,S(=O)(=O)(N(c1ccc(cc1)Cl)Cc(ccc2C(OC)=O)o2)c(ccc(n3c4)nn4)c3,0.0
51659,CO-ADD:0237285,1.42,C1CN(CCN1)c2cc(n[nH]2)c3ccc(Oc4ccccc4)cc3.Cl,0.0
51660,CO-ADD:0237121,1.42,CCOc1ccc2cc(ccc2c1)c3nn(CC4CCN(C)CC4)c5ncnc(N)c35.Cl,0.0
51661,CO-ADD:0233249,1.42,C(=O)(c1cccc(Cl)c1)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Br,0.0
51662,CO-ADD:0231555,1.41,C(=C/c(cc1)ccc1OC)(/C(=O)NN2c3ccc(c(C)c3)C)\C2=O,0.0
51663,CO-ADD:0227750,1.41,N1(c(cc(cc2C(O)=O)C(O)=O)c2)C(=O)c3c(c(ccc4[N+](=O)[O-])C1=O)c4ccc3,0.0
51664,CO-ADD:0229043,1.41,C(NCCNC(=O)c1ccc(cc1)Cl)(=O)c2ccc(cc2)Cl,0.0
51665,CO-ADD:0236350,1.41,C1(=Cc2c(OC1=O)cccc2)c3csc(Nc(cc4)ccc4C)n3,0.0
51666,CO-ADD:0234795,1.41,N1C(=O)C=C(N=C1SCC(=O)Oc(ccc2c3OC(C=C2C)=O)c3)Cc4ccccc4,0.0
51667,CO-ADD:0236328,1.41,C12=C(C(C(C#N)=C(N)O1)c3ccc(cc3)F)C(N(C)C(=O)N2C)=O,0.0
51668,CO-ADD:0236325,1.41,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCc3cccc(F)c3)c4ccccc4,0.0
51669,CO-ADD:0233328,1.41,C(c1ccc(cc1)OCCCCC)(CC(O)=O)CC(N)=O,0.0
51670,CO-ADD:0233145,1.41,c1(n2)c(C(N(CCCC)C(=O)N1C)=O)n(c23)CC(CN3c4ccc(cc4)OCC)O,0.0
51671,CO-ADD:0234792,1.41,c1(NC(=O)CC(c2ccccc2)NC(=O)C(F)(F)F)nnc(SCC)s1,0.0
51672,CO-ADD:0236154,1.41,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N2CCSC2c3ccccc3,0.0
51673,CO-ADD:0234133,1.41,c(c1)(c(N(C)C)cc(OC)c1C(=O)NN(CC2)CCN2C)[N+](=O)[O-],0.0
51674,CO-ADD:0233407,1.41,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)cc(c3OC(c4ccccc4)=O)OCC,0.0
51675,CO-ADD:0233388,1.41,[N+](=O)([O-])c1cccc(c1)\C=C\C(=O)N(O)c2ccc(cc2)Cl,0.0
51676,CO-ADD:0236086,1.41,N1(COC(=O)Nc2ccccc2)c(ccc(c3)Cl)c3OC1=O,0.0
51677,CO-ADD:0236071,1.41,N1(\N=C\c2c(C)cc(cc2C)C)C(=O)c(c3C1=O)cccc3,0.0
51678,CO-ADD:0225874,1.41,C1(=N2)N(C=CN=C1SCc3ccccc3)C(N2CC(=O)NC4CCCCC4)=O,0.0
51679,CO-ADD:0226175,1.41,S(=O)(=O)(N(Cc(cc1)ccc1C)c(cc2)ccc2C(C)C)c3cccn(c(nn4)C)c34,0.0
51680,CO-ADD:0237204,1.41,COc1ccc(CN2CCOc3ccc(cc3C2)C(C)(O)CN(C)C)cc1C,0.0
51681,CO-ADD:0225427,1.41,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(cccc5C(OCC)=O)c5)=O,0.0
51682,CO-ADD:0225740,1.41,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4cccc(Cl)c4F)=O,0.0
51683,CO-ADD:0225764,1.41,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc4cccc(SC)c4)=O,0.0
51684,CO-ADD:0229616,1.41,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)ccc4C(OC)=O)\C1=O,0.0
51685,CO-ADD:0236482,1.41,n(c1C)(nnc1C(=O)N\N=C(/C)\c(ccc(c2Cl)Cl)c2)c3nonc3N,0.0
51686,CO-ADD:0230918,1.41,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc2ccccc2)c3ccc(cc3OC)OC,0.0
51687,CO-ADD:0236783,1.41,S(=O)(=O)(Nc1ccccn1)c2ccc(cc2Br)Br,0.0
51688,CO-ADD:0235970,1.41,N1(c2ccc(cc2C)C)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
51689,CO-ADD:0233507,1.41,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)cc(c4OC(C)=O)OC,0.0
51690,CO-ADD:0236485,1.41,[N+](=O)([O-])c1ccc(cc1NCCOc2cccc(OC)c2)N3CCCCC3,0.0
51691,CO-ADD:0234806,1.41,c1(SCC(=O)Nc2ncccn2)oc(c3n1)cccc3,0.0
51692,CO-ADD:0234656,1.41,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O)Br,0.0
51693,CO-ADD:0233591,1.41,c1(cc(Cl)cc(\C=N\c(ccc(c2Cl)OC)c2)c1O)[N+](=O)[O-],0.0
51694,CO-ADD:0234478,1.41,c1(C(C)(C)C)cc(n[nH]1)Cc2ccccc2,0.0
51695,CO-ADD:0236559,1.41,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c4ccc(cc4F)F,0.0
51696,CO-ADD:0219001,1.41,[N+](=O)([O-])c(cccc1C(=O)N\N=C/c2c(O)ccc(cccc3)c23)c1,0.0
51697,CO-ADD:0221823,1.4,C1(C(=O)CSc2nc(C)cc(C)c2C#N)=Cc3c(OC1=O)cccc3,0.0
51698,CO-ADD:0221822,1.4,c1(C#N)c(c2ccc(cc2)Br)cc(nc1SCc3ccccc3)c4ccccc4,0.0
51699,CO-ADD:0237310,1.4,COc1ccc(cc1)N(CCc2cccc(C)n2)C(=O)C,0.0
51700,CO-ADD:0233065,1.4,N(c1ccccc1C)(C(c2ccccc2)=O)NC(=O)c3c(Cl)ncc(Cl)c3Cl,0.0
51701,CO-ADD:0226392,1.4,c12n(c3c(cccc3)nc1SCC(=O)Nc4cccc(Br)c4)c(nn2)C,0.0
51702,CO-ADD:0225841,1.4,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)Nc4cccc(Br)c4)=O,0.0
51703,CO-ADD:0233013,1.4,N(c1c2cccc1)=C(c3ccc(cc3)Cl)CC(N2)c(cc4)ccc4[N+](=O)[O-],0.0
51704,CO-ADD:0232969,1.4,C(=O)(C(C)(C)C)Nc1cccc(c1)Oc(cccc2NC(=O)C(C)(C)C)c2,0.0
51705,CO-ADD:0225354,1.4,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc5ccccc5F,0.0
51706,CO-ADD:0218992,1.4,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(cc2)ccc2N(C)C)c1,0.0
51707,CO-ADD:0231392,1.4,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4cc(Br)ccc4O,0.0
51708,CO-ADD:0234485,1.4,N(c1cccc(C)c1)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
51709,CO-ADD:0234639,1.4,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2cccc(F)c2)=O)Br)OC(=O)c3cccc(C)c3,0.0
51710,CO-ADD:0234781,1.4,C1(=O)N(C2CCCCC2)C(=O)\C(\C(=O)N1C3CCCCC3)=C(\N)/N,0.0
51711,CO-ADD:0234466,1.4,S(C)(=O)(=O)N(CC1)CCN1c(cc2)c(Cl)cc2[N+](=O)[O-],0.0
51712,CO-ADD:0233317,1.4,C(=O)(Nc1cccc(N)n1)c2ccccc2Cl,0.0
51713,CO-ADD:0236121,1.4,[N+](=O)([O-])c(cccc1C(=O)NNC(=O)CN(CC2)CCN2CC(=O)NNC(=O)c(cccc3[N+](=O)[O-])c3)c1,0.0
51714,CO-ADD:0234239,1.4,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3cccc(Br)c3,0.0
51715,CO-ADD:0236848,1.4,[N+](=O)([O-])c1cc(ccc1Sc2cccc3c2cccn3)\C=N\NC(CCCC)=O,0.0
51716,CO-ADD:0236172,1.4,N1(CN(CC2)CCN2c3ccccc3)C(=O)CCC1=O,0.0
51717,CO-ADD:0233030,1.4,C(=C/c(cc1)ccc1N(C)c2ccccc2)(/C3=O)\C(c(cc4)ccc4[N+](=O)[O-])=NO3,0.0
51718,CO-ADD:0236677,1.4,n1c(SCC(=O)Nc2ncccn2)[nH]nc1c3ccccc3,0.0
51719,CO-ADD:0232991,1.4,N1(CCOC)C(=O)c2c(c3C1=O)c(ccc2)ccc3,0.0
51720,CO-ADD:0232965,1.4,c1(c2ccccc2C#N)nnn(CC(=O)N\N=C\c(cc(Br)cc3Br)c3O)n1,0.0
51721,CO-ADD:0236360,1.4,N1(c(cc(cc2N3C(=O)c(c4C3=O)cc(c5c4c6ccccc6)cccc5)C(O)=O)c2)C(=O)c(c7C1=O)cc(c8c7c9ccccc9)cccc8,0.0
51722,CO-ADD:0229782,1.4,n1c(c2ccc(cc2)C)cc(\N=C\c3c(cccc3Cl)Cl)n1c4ccccc4,0.0
51723,CO-ADD:0233115,1.4,C(c1ccccc1)(=O)OC2CCNC(CCCC3)C23.Cl,0.0
51724,CO-ADD:0233724,1.4,n1nc(oc1C(CC2)CCN2C(=O)CCOc3cccc(F)c3)C,0.0
51725,CO-ADD:0231357,1.4,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(=O)c3ccccc3OC,0.0
51726,CO-ADD:0233672,1.4,S(c1ccccc1)(=O)(=O)NNC(=O)c2ccccc2O,0.0
51727,CO-ADD:0234909,1.4,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2O)[N+](=O)[O-])[N+](=O)[O-],0.0
51728,CO-ADD:0234216,1.4,c1(Br)c(O)c(\C=N\NC(COc2c(C)cccc2C)=O)cc(Br)c1O,0.0
51729,CO-ADD:0234511,1.4,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(c5)c(N6CCCCC6)cc(N7CCCCC7)c5[N+](=O)[O-],0.0
51730,CO-ADD:0233595,1.4,[N+](=O)([O-])c1cccc(c1)\C=N\NC(c(cc2)ccn2)=O,0.0
51731,CO-ADD:0236768,1.4,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(OC)c2)c3c(OC)ccc(OC)c3,0.0
51732,CO-ADD:0221593,1.4,c1(NC(CSc2c(ccc(c(cc3)ccn3)n2)C#N)=O)sc(c4n1)cccc4,0.0
51733,CO-ADD:0232913,1.4,N1(c2cccc(c2)C#C)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(cc4)ccc4C(O)=O,0.0
51734,CO-ADD:0230937,1.4,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccccc2C)c3ccc(cc3OC)OC,0.0
51735,CO-ADD:0221048,1.4,c1(NCC(=O)N\N=C\c(cc2)ccc2N(CC)CC)c(Br)cc(cc1Br)Br,0.0
51736,CO-ADD:0231400,1.4,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(cc(OCO4)c4c5)c5Br,0.0
51737,CO-ADD:0226956,1.4,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cccc4C#N)c4)c(nn1)C(C)C,0.0
51738,CO-ADD:0233054,1.4,N(\C(=C\c(ccc(c1[N+](=O)[O-])OC)c1)\C(O2)=O)=C2c3ccc(cc3)C,0.0
51739,CO-ADD:0231482,1.4,n1c2c(oc1c3ccc(cc3)\N=C\c(ccc(c4Cl)Cl)c4)cccc2,0.0
51740,CO-ADD:0235992,1.4,N1(CC(C2)(C[C@](C3)([H])C[C@]4(C[C@]23[H])[H])C4)C(=O)C(C5C1=O)C6C7(C5C=C6)CC7,0.0
51741,CO-ADD:0231148,1.4,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)C(=CC1=O)C,0.0
51742,CO-ADD:0236724,1.4,c12n(ncn1N)c(nn2)SCC(=O)Nc3sccn3,0.0
51743,CO-ADD:0231005,1.4,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NC(C)C(=O)N\N=C(/CCCC2)\C2,0.0
51744,CO-ADD:0234556,1.4,C(=O)(Oc1cccc(c1)\C=N\NC(COc2c(C)cccc2C)=O)c3cccc(Br)c3,0.0
51745,CO-ADD:0236667,1.4,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Nc(cccc2c3csc(C)n3)c2,0.0
51746,CO-ADD:0233195,1.4,c1(c2c(s3)CCCC2)c3NC(c4ccc(cc4)O)NC1=O,0.0
51747,CO-ADD:0236417,1.4,c1(OC)c(OC)cc(cc1OC)\C=C/C(=O)c2ccc(cc2)Cl,0.0
51748,CO-ADD:0234486,1.4,C(=N\c(cc1)ccc1Oc2ccccc2)(/C3=O)\c4c(N3)ccc(C)c4Br,0.0
51749,CO-ADD:0233709,1.4,n1nc(oc1C(CC2)CCN2C(=O)[C@H](NC(C)=O)CC(N)=O)C,0.0
51750,CO-ADD:0233732,1.4,n1nc(oc1C(CC2)CCN2C(=O)[C@H](CCC(N)=O)NC(C)=O)C,0.0
51751,CO-ADD:0233152,1.4,c1(ccc(cc1Cl)Cl)C(=O)Nc(c2)cc3c(cccc3)n2,0.0
51752,CO-ADD:0234705,1.4,c1(c(Br)cc(cc1\C=N\NC(=O)Cc2cccc(cccc3)c23)Br)OC(c4ccccc4)=O,0.0
51753,CO-ADD:0234862,1.4,C(=C\c(cc1)ccc1F)/C(=O)c2ccc(cc2)\N=C\c(cc3)ccc3O,0.0
51754,CO-ADD:0237253,1.39,Oc1ccc(Cl)cc1C(=O)Nc2ccc(c(c2)C(F)(F)F)C(F)(F)F,0.0
51755,CO-ADD:0231495,1.39,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Br)cc3Br)c3O)c4ccc(cc4Cl)F,0.0
51756,CO-ADD:0231760,1.39,c1(oc(c2n1)ccc(c2)\N=C\c3cc(C)cc(Br)c3O)c4cccc(Cl)c4Cl,0.0
51757,CO-ADD:0229017,1.39,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(\COC(=O)c2ccccc2NC(CCC)=O)/c3ccc(cc3)OC)[N+](=O)[O-],0.0
51758,CO-ADD:0229757,1.39,N1(c2cccc(OC(C)=O)c2)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
51759,CO-ADD:0236375,1.39,C(=O)(Nc(cc1)ccc1Br)C2C(C(O)=O)C3CC2C=C3,0.0
51760,CO-ADD:0234775,1.39,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)CC)SC(=NN2c6ccc(cc6)OC)C(C)=O,0.0
51761,CO-ADD:0234269,1.39,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C(/C)\C=C\c2ccccc2,0.0
51762,CO-ADD:0234648,1.39,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(CNC(=O)c3cccc(F)c3)=O)o1,0.0
51763,CO-ADD:0232937,1.39,n1c2c(oc1c3ccccc3)ccc(N)c2,0.0
51764,CO-ADD:0233112,1.39,C1(N(CCS1)C(c2ccccc2)CC3(CC)O)=N3,0.0
51765,CO-ADD:0231472,1.39,c1(c2ccc(cc2)\N=C\c(ccc(c3Cl)Cl)c3)sc(c4n1)cccc4,0.0
51766,CO-ADD:0237091,1.39,Clc1cccc2sc(nc12)N(CCCn3ccnc3)C(=O)c4occc4,0.0
51767,CO-ADD:0237092,1.39,CC1=C(CCC(=O)O)C(=O)Oc2c(C)c(OCc3cc(C)cc(C)c3)ccc12,0.0
51768,CO-ADD:0225169,1.39,C1(=NN(C2=O)Cc3ccc(cc3Cl)F)N2C=CN(c4ccccc4OC)C1=O,0.0
51769,CO-ADD:0237427,1.39,CC(=O)N1CCN(CC1)c1ccc(Oc2ccc(Cl)cc2O)cc1,0.0
51770,CO-ADD:0237347,1.39,CC(C)N(Cc1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3cc(C)on3,0.0
51771,CO-ADD:0236572,1.39,C1(C#N)(C#N)[C@@H](c2ccc(cc2)Cl)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C(C)(C)C,0.0
51772,CO-ADD:0231439,1.39,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)c3cccc(F)c3,0.0
51773,CO-ADD:0232972,1.39,N1(c2ccccc2c3ccccc3)C(=O)c(c4C1=O)ccc(c4)C(=O)NC(C)(C)C,0.0
51774,CO-ADD:0233257,1.39,C(=O)(C\C(\C)=N/NC(=O)c1ccc(c(OC)c1)OC)Nc2ccccn2,0.0
51775,CO-ADD:0233285,1.39,N1(c2ccccc2OC)C(=O)c3c(c4C1=O)c(c5cc3)c(cc4)CC5,0.0
51777,CO-ADD:0234744,1.39,C(=O)(Oc1ccc(cc1\C=N\NC(CNc2cccc(C)c2)=O)Br)c3ccccc3Cl,0.0
51778,CO-ADD:0236470,1.39,N1(CN(C)[N+](=O)[O-])c(ccc(c2)[N+](=O)[O-])c2C(=O)C1=O,0.0
51779,CO-ADD:0234990,1.39,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(COc2c(C)cccc2C)=O,0.0
51780,CO-ADD:0229834,1.39,n1(nnc(C)c1C(=O)N\N=C\c(cc(Br)cc2Br)c2O)c3nonc3N,0.0
51781,CO-ADD:0233753,1.39,C(=O)([C@@H](N)Cc(cc1)ccc1O)N(CC2)CCC2(C)c(ccn3)o3.Cl,0.0
51782,CO-ADD:0234899,1.39,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O)Br,0.0
51783,CO-ADD:0234911,1.39,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3C)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
51784,CO-ADD:0233585,1.39,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(COc2cc(C)ccc2C(C)C)=O,0.0
51785,CO-ADD:0233723,1.39,c1([nH]nc(C(CC2)CCN2C([C@H](CCSC)N)=O)c1)C(F)(F)F.Cl,0.0
51786,CO-ADD:0226321,1.39,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)N(CC)c4ccccc4,0.0
51787,CO-ADD:0236728,1.39,c12n(c(nn1)SC)ncn2\N=C\c3cccs3,0.0
51788,CO-ADD:0236721,1.39,n1(c(CCCC2=O)c2nn1)c3nonc3N,0.0
51789,CO-ADD:0233449,1.39,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc(ccc(c3C)C)c3)=O,0.0
51790,CO-ADD:0229790,1.39,n1(nnc(C)c1C(=O)N\N=C(/C)\c2ccc(cc2)Br)c3nonc3N,0.0
51791,CO-ADD:0221041,1.39,c1(ccccc1\N=C\c(cc2)ccc2\C=N\c3ccccc3C(N)=O)C(N)=O,0.0
51792,CO-ADD:0221049,1.39,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\C=C\c2ccccc2,0.0
51793,CO-ADD:0236025,1.39,N1(CC(=O)NCc2ccccc2)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
51794,CO-ADD:0233550,1.39,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c3ccccc3I,0.0
51795,CO-ADD:0221264,1.39,N1(c2ccccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)NC(=CNC(N4)=O)C4=O,0.0
51796,CO-ADD:0234446,1.39,C(=O)(C(Cc1ccccc1)NC(=O)OC(C)(C)C)Nc2ccc(cc2C)C,0.0
51797,CO-ADD:0222271,1.39,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2ccccc2Br)N3CCCC3)c1,0.0
51798,CO-ADD:0229821,1.39,c(c(OC)c1)(cc(c1C(c2ccccc2)=O)OC)C(=O)Nc(cc3C)cc(c3OC)C,0.0
51799,CO-ADD:0234749,1.39,c1(C#N)c(SCC(O)CS(Cc2ccccc2)=O)nc(cc1C(F)(F)F)c3cccs3,0.0
51800,CO-ADD:0227743,1.39,C12(CCCCC1)SC(CN2c3ccc(cc3)C)=O,0.0
51801,CO-ADD:0234050,1.39,C(=C\c(cc1)ccc1Br)/C(=O)c2ccc(cc2)F,0.0
51802,CO-ADD:0233133,1.38,C1(c2ccccc2)(CC(=O)Nc3c(cccc3Cl)Cl)C(=O)c(c4C1=O)cccc4,0.0
51803,CO-ADD:0226346,1.38,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc(ccc(c4F)F)c4,0.0
51804,CO-ADD:0229928,1.38,C(=N\c1ccccc1CC)(/c2c(N3)ccc(Br)c2)\C3=O,0.0
51805,CO-ADD:0233704,1.38,c1([nH]nc(C(CC2)CCN2C([C@@H](N)CCC(O)=O)=O)c1)C(F)(F)F.Cl,0.0
51806,CO-ADD:0233690,1.38,c1([nH]nc(C(CC2)CCN2C(=O)[C@@H]3CCCCN3)c1)C(F)(F)F.Cl,0.0
51807,CO-ADD:0226288,1.38,S(=O)(=O)(N(Cc1cccc(F)c1)c2cc(F)cc(F)c2)c(ccc(n3c4)nn4)c3,0.0
51808,CO-ADD:0237287,1.38,COc1ccc(CCN2CCC(CC2)NCc3cccc(c3)N(C)C)cc1,0.0
51809,CO-ADD:0234820,1.38,C(=O)(Oc1cccc(c1)\C=N\NC(=O)Cc2cccc(cccc3)c23)c4cccc(F)c4,0.0
51810,CO-ADD:0226950,1.38,c12n(c(nn1)CCC(NCCC(CC(CC34)CC5C3)(C4)C5)=O)c(c6C(=O)N2CCC)ccs6,0.0
51811,CO-ADD:0226976,1.38,N(C1=O)(c(ccs2)c2C(N3CCCC)=O)C3=NN1CC(=O)N4CCC(CC4)Cc5ccccc5,0.0
51812,CO-ADD:0226152,1.38,S(=O)(=O)(N(Cc(cc1)ccc1OC)c2cc(C)cc(C)c2)c3cccn(c(nn4)C)c34,0.0
51813,CO-ADD:0227702,1.38,C1(c2ccc(cc2)\N=C\c3cc(Cl)ccc3O)=Cc4c(OC1=O)cccc4,0.0
51814,CO-ADD:0234547,1.38,c1(ncn2Cc3c(cccc3Cl)Cl)c2C(N(C)C(=O)N1C)=O,0.0
51815,CO-ADD:0229635,1.38,n1c(Nc2ccccc2OC)c(c(nc1N3CCCCC3)C)[N+](=O)[O-],0.0
51816,CO-ADD:0233567,1.38,n1c2c(oc1c3cccc(c3)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])Br)cccc2C,0.0
51817,CO-ADD:0225361,1.38,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)NCc5ccccc5,0.0
51818,CO-ADD:0225369,1.38,c12n(ccn(nc(c3ccccc3)c4)c14)c(nn2)SCC(=O)Nc5c(C)cccc5C,0.0
51819,CO-ADD:0225377,1.38,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)N(CC)c5ccccc5,0.0
51820,CO-ADD:0233245,1.38,c1(ccccc1F)C(=O)N\N=C(/C)\CC(NCC=C)=O,0.0
51821,CO-ADD:0221776,1.38,[N+](=O)([O-])c1cccc(c1)NC(=O)c2ccc(C)o2,0.0
51822,CO-ADD:0221765,1.38,C(CCc1ccccc1)(=O)NCc(cc2)ccc2C(C)C,0.0
51823,CO-ADD:0234611,1.38,N(\C(=C/c1ccccc1I)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
51824,CO-ADD:0234943,1.38,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(c2c([nH]3)cccc2)c3)[N+](=O)[O-])[N+](=O)[O-],0.0
51825,CO-ADD:0234952,1.38,c1(OCC(=O)N\N=C\c2cccc(OC)c2)c(Br)cc(cc1Br)OC,0.0
51826,CO-ADD:0236488,1.38,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
51827,CO-ADD:0228566,1.38,N1(c2ccccc2)C(C)(O)C(OC1=O)(C)CC,0.0
51828,CO-ADD:0230653,1.38,c1(c(ccc[n+]2C)c2)n(C)c3c(cccc3)n1.[I-],0.0
51829,CO-ADD:0232299,1.38,C1(C2c3ccc(cc3)Br)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
51830,CO-ADD:0230890,1.38,C(=C/c1ccccc1)(/c2c3ccc(c2)[N+](=O)[O-])\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
51831,CO-ADD:0232442,1.38,c1(c(O)c(\C=N\c(ccc(c2n3)oc3c4cccc(Cl)c4Cl)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
51832,CO-ADD:0230875,1.38,C(=C/c(ccc(c1OC)OC)c1)(/c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c23)\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
51833,CO-ADD:0228101,1.38,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(ccc(c3Br)O)c3,0.0
51834,CO-ADD:0230071,1.38,c1(Br)cc(ccc1OC)C=O,0.0
51835,CO-ADD:0230105,1.38,C(=O)(N\N=C\c1cccc(Cl)c1)C(C)Oc(ccc(c23)cccc2)c3,0.0
51836,CO-ADD:0230112,1.38,C(=O)(N\N=C\c1ccccc1OCCCCCCCC)c2cccc(Br)c2,0.0
51837,CO-ADD:0231872,1.38,n1c(ccc(c2)\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)c2oc1c4ccc(cc4)Br,0.0
51838,CO-ADD:0235085,1.38,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)Cc2cccc(cccc3)c23)c4ccccc4Br,0.0
51839,CO-ADD:0222874,1.38,N(C(=O)c1ccc(cc1)F)c2sccn2,0.0
51840,CO-ADD:0232378,1.38,[N+](=O)([O-])c1cccc(c1)\C=C\C(=O)c2ccc(cc2)NC(C)=O,0.0
51841,CO-ADD:0232369,1.38,C1(C(OCC=C)=O)=Cc2c(OC1=O)cccc2,0.0
51842,CO-ADD:0231868,1.38,c1(OCC(=O)N\N=C(/C)\C=C\c2ccco2)c(OC)cc(cc1Br)Br,0.0
51843,CO-ADD:0232073,1.38,c(\C=N\NC(COc1ccccc1C)=O)(cc(Br)cc2I)c2O,0.0
51844,CO-ADD:0231918,1.38,c1(ccc(\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)o1)Sc3ccc(\C=N\NC(COc4c(OC)cc(cc4Br)Br)=O)o3,0.0
51845,CO-ADD:0232279,1.38,N(C(=O)\C=C\c1ccccc1)c2cccc(C)n2,0.0
51846,CO-ADD:0232762,1.38,N1(c2ccc(cc2)F)C(=O)C(C3C1=O)C(C=C4)\C(\C34)=C(\C)/C,0.0
51847,CO-ADD:0235784,1.38,C(=O)(N\N=C\c(ccc(c1OCC)OCc2ccccc2)c1)C(OC)c3ccccc3,0.0
51848,CO-ADD:0235611,1.38,N1(CNc(ccc(c23)c4c(cccc4)o2)c3)C(=O)C(CC5)C(C5(C)C1=O)(C)C,0.0
51849,CO-ADD:0223227,1.37,c1(c(\C=N\NC(COc2c(C)cccc2C)=O)ccc(O)c1OC)[N+](=O)[O-],0.0
51850,CO-ADD:0235582,1.37,c1(c(ccc(c1)[N+](=O)[O-])Oc2ccc(cc2OC)\C=N\c3ccc(cc3Cl)Cc(ccc(c4Cl)\N=C\c(cc5)cc(c5Oc6ccc(cc6[N+](=O)[O-])[N+](=O)[O-])OC)c4)[N+](=O)[O-],0.0
51851,CO-ADD:0223613,1.37,c1(cc(Cl)ccc1O)\C=N\c(cc2)ccc2Br,0.0
51852,CO-ADD:0223606,1.37,c1(CC)c(\C=N\O)c(CC)cc(CC)c1\C=N\O,0.0
51853,CO-ADD:0228588,1.37,n1(c(c2ccccc2)c(nn1)C(OCC)=O)c3nonc3N,0.0
51854,CO-ADD:0228494,1.37,N1(C(c2ccccc2)c3ccccc3)C(=O)c4c(c5C1=O)c(ccc4)ccc5,0.0
51855,CO-ADD:0230122,1.37,C(=C\Sc1ccccn1)(/[P+](c2ccccc2)(c3ccccc3)c4ccccc4)\N=C(\c5ccccc5)/[O-],0.0
51856,CO-ADD:0230051,1.37,C(=O)(Nc(ccc(c12)cccc1)c2)c3ccc(cc3C(O)=O)N,0.0
51857,CO-ADD:0223745,1.37,C(=O)(N\N=C\c(cc1)ccc1OCC)c2ccc(cc2)OCc3cccc(OC)c3,0.0
51858,CO-ADD:0235187,1.37,c1(c(O)c(\C=N\c(ccc(c23)oc(c4cccc(C)c4)n2)c3)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
51859,CO-ADD:0223528,1.37,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3cccc(c3)N\C=C(\C(C)=NN4c5ccc(cc5)C)/C4=O,0.0
51860,CO-ADD:0230448,1.37,[N+](=O)([O-])c(cc(Oc(cc1)ccc1Br)cc2NC(=O)c3ccc(cc3)F)c2,0.0
51861,CO-ADD:0232331,1.37,c1(\C(\CCC2)=N\CCO)c2c3c(ccc(Br)c3)[nH]1,0.0
51863,CO-ADD:0235073,1.37,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(COc3ccccc3C#N)=O)Br,0.0
51864,CO-ADD:0235012,1.37,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(CNC(=O)c3ccco3)=O,0.0
51865,CO-ADD:0235247,1.37,C(=N/c(ccc(c1C)C)c1)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
51866,CO-ADD:0222890,1.37,C(COc(cc1)ccc1C)(=O)Nc(cc2)ccc2C(C)=O,0.0
51867,CO-ADD:0228569,1.37,C1(=O)OC(C(=C)N1c2ccccc2)(C)C,0.0
51868,CO-ADD:0230055,1.37,N1(c(cc2)ccc2C(OC)=O)C(=O)c3c(cc(cc3)N)C1=O,0.0
51869,CO-ADD:0228526,1.37,c1(C#N)c(C)cc(nc1SCC(=O)Nc2ccccn2)C,0.0
51870,CO-ADD:0228549,1.37,S1(=O)(=O)c(cccc2)c2C(=O)N1CN(c3nc(N(C)C)nc(N(C)C)n3)S(=O)(=O)c4ccc(cc4)C,0.0
51871,CO-ADD:0230680,1.37,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2C(C)C)CC(=O)N\N=C\c(ccc(c3OCC)OCC=C)c3,0.0
51872,CO-ADD:0223623,1.37,N(/c(cc1)ccc1Cl)=C\c2ccccc2Cl,0.0
51873,CO-ADD:0230280,1.37,C(/C=CC1=O)(\O1)=C\c2ccc(C)o2,0.0
51874,CO-ADD:0223580,1.37,[C@@]12([C@]3(C)CCC(OC(C)=O)C1)[C@@H](O2)CC(C([C@@]45C)C(C)CC4C(C)=O)C3CC5,0.0
51875,CO-ADD:0229964,1.37,c12n(c(nn1)SC)ncn2\N=C\c(c3c([nH]4)cccc3)c4,0.0
51876,CO-ADD:0228762,1.37,C(=O)(c1cccc(I)c1)Oc2cccc(c2C)OC(=O)c3cccc(I)c3,0.0
51877,CO-ADD:0230667,1.37,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c2ccc(cc2OC)OC,0.0
51878,CO-ADD:0223097,1.37,c1(c(\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C\c3cccs3)ccc(OC(C)=O)c1OC)[N+](=O)[O-],0.0
51879,CO-ADD:0231939,1.37,N(=C(/C)\c1cccc(Br)c1)/NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
51880,CO-ADD:0235564,1.37,C1(C(OCC)=O)=C(COC(=O)c2cc(c3o2)cccc3)NC(=O)N1,0.0
51881,CO-ADD:0235020,1.37,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c2cccc(I)n2,0.0
51882,CO-ADD:0235005,1.37,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c2ccco2)=O)c3cccc(F)c3,0.0
51883,CO-ADD:0235249,1.37,N(/c(cc1)ccc1Nc2ccccc2)=C\c(cc3)ccc3O,0.0
51884,CO-ADD:0231900,1.37,C(=O)(Oc1cccc(c1)\C=N\NC(=O)C(O)c2ccccc2)c3ccccc3Br,0.0
51885,CO-ADD:0223783,1.37,C(=O)(Nc1ccccc1)\C=C\c2ccccc2,0.0
51886,CO-ADD:0223767,1.37,C(OC(CC)CC)(=O)Nc1cccc(cccc2)c12,0.0
51887,CO-ADD:0230248,1.36,N(=C\c(cc1)ccc1OCCCCCCC)/NC(CCCCCCC)=O,0.0
51888,CO-ADD:0228765,1.36,S(CC)(=O)(=O)c1ccc(cc1)Oc(cc2)ccc2S(CC)(=O)=O,0.0
51889,CO-ADD:0223467,1.36,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(=O)c2ccccc2OC,0.0
51890,CO-ADD:0230410,1.36,C(CC#C)(CC#C)(C(OCC)=O)C(OCC)=O,0.0
51891,CO-ADD:0230663,1.36,c1(cc(C)cc2C)c2c3c(cccc3)C1=O,0.0
51892,CO-ADD:0230599,1.36,C(F)(F)(COc1ccccc1\N=C\c(cc(Cl)cc2Cl)c2O)C(F)F,0.0
51893,CO-ADD:0228237,1.36,N1C(=O)\C(\SC1=N)=C/c(ccc2c3ccccc3[N+](=O)[O-])o2,0.0
51894,CO-ADD:0231987,1.36,c(\C=N\c(cc1)ccc1Cc(cc2)ccc2\N=C\c(c(C)c3Cl)c(O)c(c3C)Br)(c(C)c4Cl)c(O)c(c4C)Br,0.0
51895,CO-ADD:0228098,1.36,c1(c2ccc(cc2)Br)ccc(\C=N\NC(=O)Cc3ccc(c(cccc4)c34)Br)o1,0.0
51896,CO-ADD:0228948,1.36,C(=C\c(ccc(c12)OCO1)c2)(/c3c4cccc3)\c5c4ccc(C(CCCCN6CCCCC6)=O)c5.Cl,0.0
51897,CO-ADD:0235657,1.36,C(/S(CCCC)(=O)=O)(\S(CCCC)(=O)=O)=C(\Nc1ccccc1)/Nc2ccccc2,0.0
51898,CO-ADD:0230735,1.36,N(C(c1ccccc1)C(=O)N\N=C\c2cc(OC)ccc2OC)C(c3ccccc3)=O,0.0
51899,CO-ADD:0235523,1.36,C12c3c(cccc3)C(CC1C(=O)Nc4cccc(cccc5)c45)c(cccc6)c26,0.0
51900,CO-ADD:0232535,1.36,C(=O)(N\N=C\c(cc1)ccn1)c2ccccn2,0.0
51901,CO-ADD:0223259,1.36,C(=O)(c(cccc1C(=O)N(Cc2ccccc2)c3ccc(cc3)C)c1)N(Cc4ccccc4)c5ccc(cc5)C,0.0
51902,CO-ADD:0230728,1.36,S(c1ccccc1)(=O)(=O)N(c2ccccc2C)CC(=O)N\N=C\c(ccc(c3OC)OCC=C)c3,0.0
51903,CO-ADD:0230130,1.36,c1(ccccc1OCc2cccc(Br)c2)C(=O)N\N=C\c3cccc(Cl)c3,0.0
51904,CO-ADD:0223680,1.36,C(=O)(N\N=C\c1cc(OC)ccc1Br)C(Oc2ccccc2)Oc3ccccc3,0.0
51905,CO-ADD:0223112,1.36,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(COc3c(Br)cc(cc3Br)Br)=O)[N+](=O)[O-],0.0
51906,CO-ADD:0230361,1.36,s1c(N)nnc1SCC(=O)Nc2cccc(C)c2C,0.0
51907,CO-ADD:0223183,1.36,c(\C=N\NC(=O)\C(=C/c(cc1)ccc1N(C)C)\NC(c2ccccc2)=O)(c(cccc3)c3n4C)c4,0.0
51908,CO-ADD:0223665,1.36,c1(\C=N\NC(COc(cc2)ccc2I)=O)cc(Br)ccc1OCCC,0.0
51909,CO-ADD:0228179,1.36,S(=O)(=O)(c1ccc(cc1)C)Nc2nc(cccc3)c3nc2Nc(cc4)ccc4C,0.0
51910,CO-ADD:0230441,1.36,c12c(c(ccc1OC(C)=O)O)C(c(cccc3)c3C2=O)=O,0.0
51911,CO-ADD:0228756,1.36,C(/NC1CCCCC1)(\C(OCC)=O)=N/Nc2ccccc2,0.0
51912,CO-ADD:0230196,1.36,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c2cc(Br)ccc2OCc3ccccc3,0.0
51913,CO-ADD:0228152,1.36,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNc2c(Br)cc(cc2Br)Cl)=O,0.0
51914,CO-ADD:0232150,1.36,[N+](=O)([O-])c(ccc(c1\C=N\N\C(\c2ccccn2)=N\c3ccccc3)OC)c1,0.0
51915,CO-ADD:0235956,1.36,c1(ccc(cc1Cl)Cl)C(=O)Oc2ccccc2\C=N\c(cc3)ccc3C,0.0
51916,CO-ADD:0235948,1.36,C(=O)(c1ccc(cc1)Cl)Oc2ccccc2\C=N\Nc3cccc(C)c3,0.0
51917,CO-ADD:0235933,1.36,C(C#N)(C1c2cccs2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
51918,CO-ADD:0235816,1.36,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c(cc2Br)cc(c2N)Br,0.0
51919,CO-ADD:0235819,1.36,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c(cc2)ccc2C(=O)OCC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
51920,CO-ADD:0228439,1.36,N(CC(OC)=O)(c(cccc1)c1C23OCCCO2)C3=O,0.0
51921,CO-ADD:0230270,1.36,[N+](=O)([O-])c1cc(CC)ccc1OCC(=O)N\N=C\c2ccccc2,0.0
51922,CO-ADD:0223714,1.36,C(COc1cccc(Br)c1)(=O)N\N=C\c2ccccc2Sc3ccccc3,0.0
51923,CO-ADD:0228674,1.36,C1(C(=O)Nc2ccccc2)C(C(O)=O)C(\C(=C(/C)\C)\C13)C=C3,0.0
51924,CO-ADD:0230279,1.36,c1(SCc2ccccc2F)nc(C)cc(COC)c1C#N,0.0
51925,CO-ADD:0228378,1.36,n1c(cccc2)n2cc1c(cccc3NC(=O)c(cc4)ccc4[N+](=O)[O-])c3,0.0
51926,CO-ADD:0232189,1.36,c1(\C=N\c(cc2)ccc2Oc(cc3)ccc3\N=C\c4c(O)c(OC)cc(Br)c4Br)c(O)c(OC)cc(Br)c1Br,0.0
51927,CO-ADD:0223451,1.36,c12c(c3c(cccc3)[nH]1)nnc(N\N=C\c4ccccc4)n2,0.0
51928,CO-ADD:0232446,1.36,c1(c(O)c(\C=N\c(ccc(c2n3)oc3c4ccccc4C)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
51929,CO-ADD:0223605,1.36,c1(C)c(\C=N\NC(N)=O)c(C)cc(C)c1\C=N\NC(N)=O,0.0
51930,CO-ADD:0228091,1.36,c1(ccc(\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)o1)c4cc(Cl)ccc4Cl,0.0
51931,CO-ADD:0228340,1.36,c1(c2)c(cc(OC)c2NC(=O)c3cc(ccc3Cl)SC)c4c(cccc4)o1,0.0
51932,CO-ADD:0235173,1.36,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(cc4)ccc4OCc5ccccc5,0.0
51933,CO-ADD:0232236,1.36,c1(c(ccc(c1)[N+](=O)[O-])Oc(cc2)ccc2\C=N\c(ccc(c34)oc(c5ccc(c(C)c5)C)n3)c4)[N+](=O)[O-],0.0
51934,CO-ADD:0223429,1.36,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc2nnc(CC)s2,0.0
51935,CO-ADD:0235891,1.36,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c(cccc2C(=O)OCC(=O)c(cc3)ccc3[N+](=O)[O-])c2,0.0
51936,CO-ADD:0235915,1.35,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(=O)Nc(ccc(c3Cl)Cl)c3,0.0
51937,CO-ADD:0230304,1.35,C(N)(=S)N\N=C(/C1)\c2c(CC1)cccc2,0.0
51938,CO-ADD:0228800,1.35,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\NCCCCCCN\C=C(\C(C)=NN3c4cccc(Cl)c4)/C3=O,0.0
51939,CO-ADD:0228873,1.35,n1c(c2ccc(cc2)Br)[nH]c(c3ccccc3)c1c(cc4)ccc4c([nH]c(n5)c6ccc(cc6)Br)c5c7ccccc7,0.0
51940,CO-ADD:0228241,1.35,c1(c2ccccc2C#N)nnn(CC(=O)N\N=C\c3cccc(cccc4)c34)n1,0.0
51941,CO-ADD:0228044,1.35,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(C)c(c4Br)C)c4O)ccc(Cl)c2,0.0
51942,CO-ADD:0228309,1.35,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
51943,CO-ADD:0228168,1.35,C(CNc1cccc(cccc2)c12)(=O)N\N=C(/C3)\CCCCC3,0.0
51944,CO-ADD:0228478,1.35,N1(\N=C\c2ccco2)C(=S)SC(C)(C)C1N(O)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
51945,CO-ADD:0228072,1.35,c1(Br)c(O)c(\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)cc(Br)c1O,0.0
51946,CO-ADD:0228585,1.35,N1(c2cccc(c2)c(csc3N4C(c5ccccc5)CC(c6ccccc6)=N4)n3)C(=O)c(c7C1=O)cccc7.Br,0.0
51947,CO-ADD:0223549,1.35,C(=O)(Nc(cc1)ccc1OCCCCC)C(NCC=C)=O,0.0
51948,CO-ADD:0230845,1.35,P(OCC)(OCC)(=S)C(c1ccccc1)C[N+](=O)[O-],0.0
51949,CO-ADD:0235204,1.35,C(=O)(c1cccc(C)c1)Oc2ccc(cc2OC)C=O,0.0
51950,CO-ADD:0232478,1.35,[N+](=O)([O-])c1cc2c(cc1\C=N\c3cccc(C)c3C)OCO2,0.0
51951,CO-ADD:0232656,1.35,N1C(C)(C)CC(CC1(C)C)NC(=O)\C=C\c2ccccc2,0.0
51952,CO-ADD:0223342,1.35,C(/C#N)(=C/c(cc1)ccc1OC)\C(=O)Nc(ccc(c2C)C)c2,0.0
51953,CO-ADD:0232684,1.35,n1cc(Br)cc(N)c1N.Cl,0.0
51954,CO-ADD:0223418,1.35,N1(CNc2ccccc2)C(=O)\C(\SC1=O)=C/c(cc3OC)cc(c3OC)OC,0.0
51955,CO-ADD:0228787,1.35,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)c(OC)cc3[N+](=O)[O-],0.0
51956,CO-ADD:0235180,1.35,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(cc4)ccc4OCc5ccccc5,0.0
51957,CO-ADD:0228976,1.35,C(COc(cc1)ccc1CC)(=O)N\N=C\c2ccccc2Cl,0.0
51958,CO-ADD:0230470,1.35,C(=O)(C(CCC(OCc1ccccc1)=O)NC(OCc2ccccc2)=O)NC(CCC(O)=O)C(O)=O,0.0
51959,CO-ADD:0228825,1.35,n(c1ccc(cc1C)C)(nc(c2\C=C(\C(C)=NN3c4ccc(c(C)c4)C)/C3=O)C)c2O,0.0
51960,CO-ADD:0232256,1.35,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(ccc(c2C)C)c2,0.0
51961,CO-ADD:0228209,1.35,S(=O)(=O)([O-])NCC(C)O.[K+],0.0
51962,CO-ADD:0222911,1.35,[N+](=O)([O-])c(cc1C)cc(c1NC(c2ccccc2)=O)C,0.0
51963,CO-ADD:0235346,1.35,C(=O)(Nc(cc1)ccc1Cc(cc2)ccn2)c3cc(OC)cc(OC)c3,0.0
51964,CO-ADD:0232806,1.35,C1(c2ccccc2O)=NNC(c3c(OC)ccc(c3)[N+](=O)[O-])S1,0.0
51965,CO-ADD:0232101,1.35,c1(\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)cc(OCC)ccc1O,0.0
51966,CO-ADD:0235531,1.35,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cc(Br)ccc4OC,0.0
51967,CO-ADD:0235236,1.35,C(c1ccccc1)(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
51968,CO-ADD:0248702,1.35,O=C(C(C=C1)=C2C(C=CC=C23)=C1N4N=NC(CN5CCNCCCN(CC6=CN(C7=CC=C(C(N8CCCO)=O)C9=C7C=CC=C9C8=O)N=N6)CCNCCC5)=C4)N(CCCO)C3=O.[Zn+2].[Cl-].[Cl-].O,0.0
51969,CO-ADD:0248703,1.35,O=C(N(CC)C1=O)C2=C(C1=CC=C3)C3=C(C4=CN(N=N4)CCN5CCCNCCN(CCN6N=NC([C@]7(O)CC[C@@]8([H])[C@]9([H])CCC%10=C(C=CC(O)=C%10)[C@@]9([H])CC[C@]78C)=C6)CCCNCC5)C=C2.O=Cl(=O)([O-])=O.O=Cl(=O)([O-])=O.ClC(C=C%11N%12CCCN%13CCN(CCO)CC%13)=CC=C%11SC%14=C%12C=CC=C%14.[Zn+2],0.0
51970,CO-ADD:0235688,1.35,n1(c2c(n3)cccc2)c3S\C(=C/C=C/c4ccccc4)\C1=O,0.0
51971,CO-ADD:0228031,1.35,n1c2c(oc1c3cccc(Br)c3)ccc(c2)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
51972,CO-ADD:0223489,1.34,C(=C/c(cccc1[N+](=O)[O-])c1)(/C(C)=NN2c3ccc(cc3)C)\C2=O,0.0
51973,CO-ADD:0228502,1.34,C12(c3c(NC1=O)ccc(F)c3)C(C#N)=C(N)OC(C)=C2C(=O)OC(C)(C)C,0.0
51974,CO-ADD:0230681,1.34,c1(\C=N\NC(COc2ccc(cc2Br)Cl)=O)cc(Br)ccc1OC,0.0
51975,CO-ADD:0223289,1.34,n1(c2c(n3)cccc2)c3c4c(c(c(N\N=C\c5c6c(cccc6)cc(cccc7)c57)cc8)ccc4)c8C1=O,0.0
51976,CO-ADD:0232042,1.34,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c4ccc(cc4O)O,0.0
51977,CO-ADD:0232114,1.34,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
51978,CO-ADD:0232082,1.34,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(COc3ccccc3C)=O)Br,0.0
51979,CO-ADD:0232074,1.34,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C(/CC)\c2ccccc2,0.0
51980,CO-ADD:0232249,1.34,c1(N2CCCCCC2)nc(N\N=C/c3cc(OCO4)c4cc3[N+](=O)[O-])nc(Nc(cc5)ccc5[N+](=O)[O-])n1,0.0
51981,CO-ADD:0231959,1.34,c(\C=N\c(cc1)ccc1Cl)(c(C)c2Cl)c(O)c(c2C)Br,0.0
51982,CO-ADD:0230592,1.34,C(=N\OC(=O)c1ccc(cc1)C)(/c2c3cccc2)\c4c3cccc4,0.0
51983,CO-ADD:0228951,1.34,N1(CCCCC1)CCCCC(c2ccccc2)=O.Cl,0.0
51984,CO-ADD:0230010,1.34,n1c(C)c(sc1N\N=C\c(cc2)ccc2OCc(cc3)ccc3Cl)C,0.0
51985,CO-ADD:0231972,1.34,c(\C=N\c1ccc(cc1C)C)(c(C)c2Cl)c(O)c(c2C)Br,0.0
51986,CO-ADD:0223442,1.34,C(=S)(Nc1ccccc1)NNC(Cc(ccc(c2Br)OCC)c2)=O,0.0
51987,CO-ADD:0230571,1.34,C(=O)(N\N=C\c(cc1)ccc1OCCCCCCC)c2ccc(cc2)Br,0.0
51988,CO-ADD:0232623,1.34,o1c(N)nnc1c(cccc2[N+](=O)[O-])c2,0.0
51989,CO-ADD:0232739,1.34,c1(C(OCC)=O)sc2c(ccc(Br)c2)c1NC(C)=O,0.0
51990,CO-ADD:0231871,1.34,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2cccc(Cl)c2,0.0
51991,CO-ADD:0232757,1.34,n(c(N(C)C)nc(n1)N(C)C)c1N(C)Nc(nc(Cl)nc2N(C)C)n2,0.0
51992,CO-ADD:0232624,1.34,C1(C2c3ccc(cc3)OC(C)C)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC4=O)=C24,0.0
51993,CO-ADD:0235037,1.34,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2Oc(cc3)ccc3\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
51994,CO-ADD:0248361,1.34,NC1=C(C(N2C3=CC=CC=C3)=NC4=C(C=CC=C4)C2=O)SC(NC5=CC=CC=C5)=N1,0.0
51995,CO-ADD:0230296,1.34,c12c(cc(cccc3)c3n1)C(c(cc4[N+](=O)[O-])c2cc4C)=O,0.0
51996,CO-ADD:0230655,1.34,C(=C\c(ccc(c1OC)OC)c1)(/c(cc(C)cc2)c23)\c4c3nc(cccc5)c5n4,0.0
51997,CO-ADD:0228316,1.34,c1(cc(ccc1N(CC2)CCO2)\C=N\c(ccc(c34)c5c(cccc5)o3)c4)[N+](=O)[O-],0.0
51998,CO-ADD:0230025,1.34,n1c(c2ccc(cc2)Br)csc1\C(\C#N)=N\Nc(cc3)ccc3C,0.0
51999,CO-ADD:0232166,1.34,c1(c(Br)cc(cc1\C=N\NC(COc2ccc(cc2Br)Cl)=O)Br)OC(=O)c(ccc(c34)OCO3)c4,0.0
52000,CO-ADD:0232162,1.34,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)ccc4OC(=O)c5cccc(Br)c5,0.0
52001,CO-ADD:0230788,1.34,S(NCCC(=O)N\N=C\c(cccc1[N+](=O)[O-])c1)(=O)(=O)c(cc2)ccc2[N+](=O)[O-],0.0
52002,CO-ADD:0235670,1.34,C(OCCCC)(SCC(=O)Nc(cc1)ccc1C)=S,0.0
52003,CO-ADD:0230739,1.34,S(=O)(=O)(c1ccc(cc1)C)NC(Cc(cc2)ccc2OS(=O)(=O)c3ccc(cc3)C)C(=O)N\N=C(/C)\c4ccccc4,0.0
52004,CO-ADD:0235596,1.34,S(=O)(=O)(N(CC1)CCO1)c2c(OC)ccc(c2)C(=O)Nc3sc(c4c3C#N)CCCC4,0.0
52005,CO-ADD:0223427,1.34,C(CCC(OCCc1ccccc1)=O)(=O)N(C2CCCCC2)C3CCCCC3,0.0
52006,CO-ADD:0232109,1.34,C1(c(cc(cc2C3=N\C(\C(=O)O3)=C\c(ccc4c5ccc(cc5)Br)o4)C6=N\C(\C(=O)O6)=C/c(ccc7c8ccc(cc8)Br)o7)c2)=N\C(\C(=O)O1)=C\c(ccc9c%10ccc(cc%10)Br)o9,0.0
52007,CO-ADD:0232110,1.34,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccccc2C)=O)c3ccccc3I,0.0
52008,CO-ADD:0222977,1.34,N1(CNc(cc2)ccc2I)C(=O)\C(\SC1=S)=C\c3cccc(Cl)c3Cl,0.0
52009,CO-ADD:0235907,1.34,n1(c2c(n3)cccc2)c3S\C(=C/c(cccc4[N+](=O)[O-])c4OC)\C1=O,0.0
52010,CO-ADD:0230344,1.34,N1(c2ccc(cc2)OC)C(=O)c(cc3)c(c4C1=O)c(c3C5=O)c(cc4)C(N5c6ccc(cc6)OC)=O,0.0
52011,CO-ADD:0228186,1.34,c1(SCC(=O)N(CC2)CCO2)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
52012,CO-ADD:0235190,1.34,n1c2c(oc1c3cccc(C)c3)ccc(c2)\N=C\c(cc4)ccc4C(OC)=O,0.0
52013,CO-ADD:0228930,1.34,C(NCCCCCCCCCCCCCCCCCC)(=O)c1ccc(cc1)NC(CCCCCCCCC)=O,0.0
52014,CO-ADD:0223443,1.34,[N+](=O)([O-])c1ccc(cc1)COC(=O)c2ccc(cc2)Br,0.0
52015,CO-ADD:0223392,1.34,C(=N/NC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(/c2c(N3C)cccc2)\C3=O,0.0
52016,CO-ADD:0235184,1.33,n1c2c(oc1c3cccc(C)c3)ccc(c2)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
52017,CO-ADD:0232234,1.33,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c4cc(Br)cc(OC)c4O,0.0
52018,CO-ADD:0232604,1.33,C1(C(OCC)=O)=C(C)NC(NC1c2c(O)ccc(cccc3)c23)=O,0.0
52019,CO-ADD:0232179,1.33,c1(c(Br)cc(cc1\C=N\NC(=O)C(O)c2ccccc2)Br)OC(c3ccccc3)=O,0.0
52020,CO-ADD:0231940,1.33,C(CNc(cc1)ccc1C)(=O)N\N=C\c(cc2)ccc2C,0.0
52021,CO-ADD:0235829,1.33,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)ccc2C(OCCC(C)C)=O,0.0
52022,CO-ADD:0235195,1.33,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O,0.0
52023,CO-ADD:0235421,1.33,C(C1)(C2c3ccccc3Cl)=C(OC(N)=C2C#N)\C(\CN1CC)=C\c4ccccc4Cl,0.0
52024,CO-ADD:0223396,1.33,c1(c2ccccc2)cc(c(cc3)ccc3NC(=O)c4ccc(cc4)C)nc(ccc(cccc5)c56)c16,0.0
52025,CO-ADD:0235359,1.33,C12c3c(cccc3)C(CC1C(=O)Nc4sccn4)c(cccc5)c25,0.0
52026,CO-ADD:0232340,1.33,c1(NC(C)=O)sc(c(C)c1C#N)C(OCC)=O,0.0
52027,CO-ADD:0235683,1.33,c12c(ccc(cccc3)c13)OC(CC2=O)c(cccc4[N+](=O)[O-])c4,0.0
52028,CO-ADD:0232481,1.33,c1(c(O)c(\C=N\c(ccc(c23)cccc2)c3)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
52029,CO-ADD:0228684,1.33,S(=O)(=O)(c(cc1)ccc1C(O)=O)N(CC2)CCO2,0.0
52030,CO-ADD:0230366,1.33,C(/N)(\SC)=N/N=C\c1ccccn1.I,0.0
52031,CO-ADD:0223778,1.33,C(/c(cc1)ccc1OC)=C\c2ccccc2,0.0
52032,CO-ADD:0223751,1.33,c1(ccc(cc1OC)OC)C(=O)N\N=C\c2cc(OC)ccc2O,0.0
52033,CO-ADD:0232489,1.33,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])C,0.0
52034,CO-ADD:0232269,1.33,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(cc2)ccc2Cc(cc3)ccc3\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
52035,CO-ADD:0230692,1.33,c1(\C=N/NC(COc2ccc(cc2Br)Cl)=O)c3c(cccc3)cc(cccc4)c14,0.0
52036,CO-ADD:0228671,1.33,C(=S)(Oc(cc1)ccc1C(=O)Nc2cccc(C)c2)N(CCC)Cc3ccccc3,0.0
52037,CO-ADD:0235773,1.33,[n+]1(cnn2Cc3ccccc3[N+](=O)[O-])c2c(cc(C)n1)[O-],0.0
52038,CO-ADD:0230773,1.33,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I)(=S)Nc(cc3)ccc3OCC,0.0
52039,CO-ADD:0222886,1.33,c1(NC(COc(cc2)ccc2C)=O)c(Br)cc(cc1Br)OC,0.0
52040,CO-ADD:0223397,1.33,N(c1c(C)cccc1C)C(=O)C(NCCc(cc2)ccc2F)=O,0.0
52041,CO-ADD:0223277,1.33,C(=O)(c1ccc(cc1)\N=C/c(cc2)ccc2Cl)Nc3ccc(cc3Cl)\N=C/c(cc4)ccc4Cl,0.0
52042,CO-ADD:0235394,1.33,N1(CCCC1C(=O)Nc2cc(C)ccc2C)C(=O)OCc3ccccc3,0.0
52043,CO-ADD:0232262,1.33,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(cc2)ccc2I,0.0
52044,CO-ADD:0232748,1.33,N1(c2ccccc2OC)C(=O)C(CC1=O)S\C(\N)=N\c(cc3)ccc3Br,0.0
52045,CO-ADD:0232761,1.33,c1(SCc2[nH]c(c3n2)cccc3)[nH]c(c4n1)cc(c(C)c4)C.Cl,0.0
52046,CO-ADD:0231886,1.33,c1(OCC(=O)N\N=C(/C)\c2ccccc2)c(OC)cc(cc1Br)Br,0.0
52047,CO-ADD:0235245,1.33,c1(OC)c(OC)cc(cc1OC)\C=N\c2ccc(cc2C)C,0.0
52048,CO-ADD:0230360,1.33,s1c(N)nnc1SCc2ccc(cc2C)C,0.0
52049,CO-ADD:0228256,1.33,C(=O)(c(cc1)ccc1C(OC)=O)N\N=C(\C2)/CCCCCCCCCC2,0.0
52050,CO-ADD:0223471,1.33,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\C=C\c3ccccc3,0.0
52051,CO-ADD:0223810,1.33,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3OC,0.0
52052,CO-ADD:0230561,1.33,C(=O)(N\N=C\c1ccc(C)o1)C(=O)Nc2cccc(C)c2,0.0
52053,CO-ADD:0230639,1.33,C(C#N)(C(c1ccc(c2c1)OCO2)=C(C#N)C(N3N)=O)=C3N,0.0
52054,CO-ADD:0228406,1.33,c1(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
52055,CO-ADD:0232445,1.33,c1(c(O)c(\C=N\c(ccc(c23)oc(c4ccc(c(C)c4)C)n2)c3)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
52056,CO-ADD:0228746,1.33,C(=C/c1ccccc1)(/c2c3cccc2)\c4c3cc(C)nc4.Cl,0.0
52057,CO-ADD:0228906,1.33,c1(c2ccc(cc2)Br)ccc(\C=N\c3cc(ccc3O)Cc(ccc(c4\N=C\c(ccc5c6ccc(cc6)Br)o5)O)c4)o1,0.0
52058,CO-ADD:0230001,1.32,c1(nonc1N)\C(=N\OC(C)=O)\Nc2ccc(cc2C)C,0.0
52059,CO-ADD:0235151,1.32,c1(\C=N\c(ccc(c23)oc(c4cccc(OC)c4)n2)c3)c(O)c(OC)cc(Br)c1Br,0.0
52060,CO-ADD:0223333,1.32,C(=N\NC(N)=S)(/c1c(N2)cccc1)\C2=O,0.0
52061,CO-ADD:0232581,1.32,C1(O)(c2c(NC1=O)cccc2)C3CCc(c4C3=O)cccc4,0.0
52062,CO-ADD:0230718,1.32,C(=O)(c1ccc(cc1)Br)Nc2ccc(cc2Br)Br,0.0
52063,CO-ADD:0232593,1.32,C(C(OC)=O)(C1c2ccc(cc2)OCc3ccccc3)=C(C)NC(CCCC4=O)=C14,0.0
52064,CO-ADD:0222947,1.32,C(=O)(Oc(cc1)ccc1OCc2ccccc2)c3cccc(Br)c3,0.0
52065,CO-ADD:0230705,1.32,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)N\N=C\c(ccc(c3OC)OCC=C)c3,0.0
52066,CO-ADD:0223262,1.32,[N+](=O)([O-])c1c(Cl)ccc(c1)\N=C\c(cccc2[N+](=O)[O-])c2,0.0
52067,CO-ADD:0231898,1.32,[N+](=O)([O-])c1cccc(c1)\C=C\C(=O)c2c(C)cc(cc2C)C,0.0
52068,CO-ADD:0235246,1.32,C(=O)(N\N=C/c1cccc(Cl)c1)c2ccc(cc2)Br,0.0
52069,CO-ADD:0232391,1.32,[N+](=O)([O-])NC(NCCCC(NC(OCc1ccccc1)=O)C(=O)NC(C(C)CC)C(=O)NC(C(O)=O)CC(=O)OC(C)(C)C)=N,0.0
52070,CO-ADD:0232383,1.32,[N+](=O)([O-])c(ccc1c2c3c([nH]1)CCCC3)c2,0.0
52071,CO-ADD:0230781,1.32,S(NCCC(=O)N\N=C(\C)/C)(=O)(=O)c(cc1)ccc1[N+](=O)[O-],0.0
52072,CO-ADD:0230369,1.32,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c(c(C)ccc3[N+](=O)[O-])c3)NC(c4ccccc4)=O,0.0
52073,CO-ADD:0228233,1.32,C1(\N=C\c2cc(OC)c(cc2[N+](=O)[O-])OC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
52074,CO-ADD:0230409,1.32,C1(N2CCCCCC2)=CC(OC13CCCCC3)=O,0.0
52075,CO-ADD:0230349,1.32,C(=O)(Nc1ccccc1)OC(C2CCN3CC2)C3,0.0
52076,CO-ADD:0230123,1.32,C(=O)(NC(NCCCl)=O)NC(NCCCl)=O,0.0
52077,CO-ADD:0228253,1.32,C(C(OCC)=O)(=C(CCl)OC(=C1C#N)N)C1c2ccccc2Br,0.0
52078,CO-ADD:0230501,1.32,C(=O)(NC(C)C)CC(=O)N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl,0.0
52079,CO-ADD:0228285,1.32,c1(SCC(=O)Nc2ccccc2C(F)(F)F)sc3c(ccc(OCC)c3)n1,0.0
52080,CO-ADD:0228960,1.32,c1(c(cccn2)c2)cc(c3[nH]1)cccc3,0.0
52081,CO-ADD:0228655,1.32,C(=O)(Nc(cc1)ccc1OC)c(cccn2)c2,0.0
52082,CO-ADD:0228929,1.32,S(=O)(=O)(c1ccc(cc1)\N=C\c2cc(Br)ccc2O)c3ccc(cc3)\N=C\c(cc(Br)cc4Br)c4O,0.0
52083,CO-ADD:0230027,1.32,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)Nc(c3)cc(cc3C)C,0.0
52084,CO-ADD:0232169,1.32,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(CNc3ccccc3C)=O,0.0
52085,CO-ADD:0232161,1.32,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c3cccc(Br)c3,0.0
52086,CO-ADD:0235350,1.32,s1c(c(cccn2)c2)nnc1NC(=O)c3ccccc3I,0.0
52087,CO-ADD:0222946,1.32,C(=O)(Oc(cc1)ccc1OCc2ccccc2)c3ccccc3Cl,0.0
52088,CO-ADD:0235446,1.32,c12n(c(c3s1)ccc(c3)C(OC)=O)cc(c4ccccc4)n2,0.0
52089,CO-ADD:0232649,1.32,C(C(C)=O)(=CN(Cc1ccccc1)C=C2C(C)=O)C2c3ccccc3[N+](=O)[O-],0.0
52090,CO-ADD:0235849,1.32,N1(c(cc2)ccc2C(=O)N(c3cccc(C)c3)c4ccc(c5c4)cccc5)C(=O)c(c6C1=O)cccc6[N+](=O)[O-],0.0
52091,CO-ADD:0230774,1.32,c1(ccc(cc1OCC=C)OCC=C)\C=N\c(cc2)ccc2OC,0.0
52092,CO-ADD:0235879,1.32,N1(c(cc2)ccc2C(OCCCCCCC)=O)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
52093,CO-ADD:0235501,1.32,c1(C#N)c(c2ccc(cc2)F)c3c(nc1N)CCCCCC3,0.0
52094,CO-ADD:0223020,1.32,N1(c2ccc(cc2)OCC)C(=O)C(C(C1=O)C34\C=N\Cc5cccc(cccc6)c56)C(c(c37)cccc7)c(c48)cccc8,0.0
52095,CO-ADD:0235084,1.32,C(=O)(Oc1cccc(c1)\C=N\NC(CNc(cc2)ccc2C)=O)c3cccc(F)c3,0.0
52096,CO-ADD:0223795,1.32,c(C(C)(C)C)(cc(C(C)(C)C)cc1C(C)(C)C)c1N,0.0
52097,CO-ADD:0232504,1.32,n1c2c(oc1c(cc3)ccc3C(C)(C)C)ccc(c2)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])OC,0.0
52098,CO-ADD:0235420,1.32,c(C(=O)Nc1cccc(C)n1)(sc(c23)nc(cc2C(F)(F)F)c4cccs4)c3N,0.0
52099,CO-ADD:0230405,1.32,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c(ccc5c6ccc(cc6[N+](=O)[O-])Cl)o5)O1,0.0
52100,CO-ADD:0235861,1.32,N1(c(cc2)ccc2C(OCCCCCCC)=O)C(=O)c(c3C1=O)ccc(C(=O)c(ccc(c4C5=O)C(N5c(cc6)ccc6C(OCCCCCCC)=O)=O)c4)c3,0.0
52101,CO-ADD:0230603,1.32,[N+](=O)([O-])c1cc(ccc1C)\C=N\NC(=O)c2ccc(cc2)OCCCCCCCCCC,0.0
52102,CO-ADD:0230382,1.32,c12c(c3c(cccc3)[nH]1)nnc(N\N=C\c(cc4)ccc4Br)n2,0.0
52103,CO-ADD:0228078,1.32,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3ccccc3Cl,0.0
52104,CO-ADD:0228968,1.32,N(C)(C(C)C1)CC(C1=O)C.Cl,0.0
52105,CO-ADD:0228251,1.31,N1(CN2CCCCC2)C(=O)\C(\SC1=O)=C/c3ccccc3F,0.0
52106,CO-ADD:0228604,1.31,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(cc4)C,0.0
52107,CO-ADD:0230874,1.31,C(=C/c1c2c(cccc2)cc(cccc3)c13)(/c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c45)\c(cc(cc6[N+](=O)[O-])[N+](=O)[O-])c56,0.0
52108,CO-ADD:0232394,1.31,C1(C)(C2(CCCCC2)OC3(C4(CCCCC4)O1)C)O3,0.0
52109,CO-ADD:0232382,1.31,[nH]1c(ccc(c2)Br)c2c3c1CCCC3,0.0
52110,CO-ADD:0235198,1.31,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(cc4)ccc4OCc5ccccc5,0.0
52111,CO-ADD:0232715,1.31,c1(\C(\CCC2)=N\NC(c(cc3)ccn3)=O)c2c4c(ccc(C(C)C)c4)[nH]1,0.0
52112,CO-ADD:0235586,1.31,P(c1ccccc1)(c2ccccc2)(c3ccccc3)=Nc4ccccc4C,0.0
52113,CO-ADD:0222917,1.31,[N+](=O)([O-])c(cc1)ccc1c(cc2)ccc2NC(=O)c3cccc(Br)c3,0.0
52114,CO-ADD:0232816,1.31,c1(C#N)c(c(cccn2)c2)c3c(nc1N)CCCC3.[Na+],0.0
52115,CO-ADD:0232808,1.31,n12c(cc(c3ccc(cc3)C)n1)nc(c4ccccc4)cc2c5ccccc5,0.0
52116,CO-ADD:0232701,1.31,c1(\C(\CCC2)=N\NC(c(cc3)ccn3)=O)c2c4c(ccc(Cl)c4)[nH]1,0.0
52117,CO-ADD:0235312,1.31,c(CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C)(c2c([nH]3)cccc2)c3,0.0
52118,CO-ADD:0231934,1.31,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(cc2)ccc2N(CCC)CCC,0.0
52119,CO-ADD:0256795,1.31,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc2cc(ccc2N3CCCC3)C(F)(F)F,0.0
52120,CO-ADD:0255318,1.31,C(/C#N)(=N\Nc(cc1)ccc1C)\C(N(CC)CC)=N,0.0
52121,CO-ADD:0250604,1.31,N1(c(cc2)ccc2C(OCC)=O)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
52122,CO-ADD:0256172,1.31,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])C)c1)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(cc3)ccc3OCC=C,0.0
52123,CO-ADD:0249914,1.31,c1(c[nH]nc1c2ccccc2)C3C4=C(CC(C)(C)CC4=O)OC(CC(C)(C)CC5=O)=C35,0.0
52124,CO-ADD:0256142,1.31,C(C(=O)c1ccc(cc1)C)C(c2ccccc2)C(C#N)C#N,0.0
52125,CO-ADD:0254333,1.31,C(COc1ccccc1)(=O)N\N=C\c2ccccc2OCC=C,0.0
52126,CO-ADD:0248931,1.31,C(=C/c(cc1)ccc1F)(/NC(c2ccccc2)=O)\C(=O)OC(C)C,0.0
52127,CO-ADD:0248843,1.31,c12c(nnc(N\N=C\c3ccccc3OCC(OCC)=O)n1)c(c4[nH]2)cccc4C,0.0
52128,CO-ADD:0252779,1.31,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c4cccc(OC)c4,0.0
52129,CO-ADD:0252771,1.31,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c4ccccc4OC,0.0
52130,CO-ADD:0247467,1.31,C(C(=O)N\N=C\c(cc1)ccc1[N+](=O)[O-])(C2)=NNC2(c3ccccc3)c4ccccc4,0.0
52131,CO-ADD:0248861,1.31,c1(ccccc1OCc2ccccc2)C(=O)N\N=C\c3ccccc3Br,0.0
52132,CO-ADD:0254879,1.31,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)O)c4)\C1=O,0.0
52133,CO-ADD:0248862,1.31,C(=O)(N\N=C\c(cccc1OCc2cccc(Br)c2)c1)c3ccc(cc3)Cl,0.0
52134,CO-ADD:0247622,1.31,C(=O)(CC(c(cc1)ccc1N(C)C)CC(=O)c2ccc(c3c2)cccc3)c4ccc(c5c4)cccc5,0.0
52135,CO-ADD:0249744,1.31,C(=O)(N\N=C\c1ccco1)c2cccc(c2)NC(CCCC)=O,0.0
52136,CO-ADD:0249290,1.31,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(=O)Nc3cccc(F)c3)[N+](=O)[O-],0.0
52137,CO-ADD:0137596,1.31,O=C(NCCC(N)=N)C1=CC(NC(C2=CC(NC(C)=O)=CN2C)=O)=CN1C.OC(C(F)(F)F)=O,0.0
52138,CO-ADD:0256206,1.3,N1(C(=O)c2ccccn2)N=C(CC1(O)c(cccn3)c3)C(F)(F)F,0.0
52139,CO-ADD:0250022,1.3,c(c(C)sc1C2C3=C(CC(C)(C)CC3=O)OC(N)=C2C#N)([N+](=O)[O-])c1,0.0
52140,CO-ADD:0255375,1.3,S1(=O)(=O)c(cccc2)c2C(OCCCCCCNC(=O)C(=O)Nc3ccccc3)=N1,0.0
52141,CO-ADD:0255671,1.3,[N+](=O)([O-])c(cccc1[N+](=O)[O-])c1SCCNc2ccccc2,0.0
52142,CO-ADD:0257137,1.3,c1(NC(COC(=O)CC(c2ccccc2)NC(c3ccccc3)=O)=O)sc4c(ccc(OC)c4)n1,0.0
52143,CO-ADD:0257170,1.3,C(=O)(c1ccc(cc1)Cl)N(C)C(C)Cc(ccc(c23)OCO2)c3,0.0
52144,CO-ADD:0254537,1.3,S(=O)(=O)(N(CCC)CCC)c(cc1)ccc1C(=O)Nc(c(OC)cc(c23)c4c(cccc4)o2)c3,0.0
52145,CO-ADD:0249109,1.3,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)Nc2nnc(C)s2)c1,0.0
52146,CO-ADD:0254295,1.3,N1(C(C)(C)C)\C(=N\c2ccccc2)\SC(CC(=O)Nc3ccccc3C)C1=O,0.0
52147,CO-ADD:0249041,1.3,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)Br,0.0
52148,CO-ADD:0249537,1.3,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)N\N=C\c(cc3)ccc3OC(C4)CS4,0.0
52149,CO-ADD:0249166,1.3,C(=O)(NNC(COc(cc1)ccc1OCc2ccccc2)=O)c3ccco3,0.0
52150,CO-ADD:0134101,1.3,O=C(c1[nH]c([N+](=O)[O-])cn1)N(CCOC(=O)c2[nH]c([N+](=O)[O-])cn2)C,0.0
52151,CO-ADD:0247684,1.3,n1c(O)cc(nc1SC)C(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
52152,CO-ADD:0247807,1.3,C1(C(=O)N\N=C\c(ccc(c23)OCO2)c3)=C(C)C=C(NC1=O)C,0.0
52153,CO-ADD:0254576,1.3,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OC(C3)CS3)c4c(OC)ccc(OC)c4,0.0
52154,CO-ADD:0254857,1.3,c1(C#N)c(SC)nsc1N\N=C\c2ccc(cc2Cl)Cl,0.0
52155,CO-ADD:0255006,1.3,N1(c2ccccc2)C(=O)\C(\NC1=S)=C/c3cccc(Br)c3,0.0
52156,CO-ADD:0254662,1.3,c1(cc(F)c(cc1Cl)F)C(=O)Oc2ccc(cc2OC)\C=N\c(ccc(c3N4)NC4=O)c3,0.0
52157,CO-ADD:0256675,1.3,C1(C(=O)OC2CCCCCCC2)=C(C)NC(=O)NC1c3ccc(cc3)F,0.0
52158,CO-ADD:0256277,1.3,C(C(OC)=O)(=C1C)\C(=C\c(cc2OC)cc(c2OC)OC)\C(N1CCOC)=O,0.0
52159,CO-ADD:0253921,1.3,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
52160,CO-ADD:0253893,1.3,C(=C/c1ccccc1)(/C2=O)\C(c3ccc(cc3)C)=NO2,0.0
52161,CO-ADD:0253846,1.3,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(c2ccc(cc2)OC)CC(=O)N\N=C(\C)/C,0.0
52162,CO-ADD:0255763,1.3,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)S\C(\NCC)=N\C(c3ccccc3)c4ccccc4,0.0
52163,CO-ADD:0252305,1.3,N(=C\c(ccc(c1OC)OCc2ccc(c3c2cccc3)C)c1)/N(C)c4ccccc4,0.0
52164,CO-ADD:0249206,1.3,c(C(=O)N\N=C\c1cccc(OC)c1)(c(C)on2)c2c3ccccc3,0.0
52165,CO-ADD:0249199,1.3,N(c1cccc(C)c1)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
52166,CO-ADD:0249159,1.3,c1(\C=N\NC(=O)c2ccc(cc2)CN(CCc(c34)cccc3)C4)c5c(cccc5)cc(cccc6)c16,0.0
52167,CO-ADD:0249572,1.3,N1(c2ccc(c(C)c2)C)C(c3ccc(cc3)C)Nc(c4C1=O)cccc4,0.0
52168,CO-ADD:0254749,1.3,c1(cc(\C=N\NC(=O)c(cccn2)c2)c(cc1N(CC3)CCO3)N(CC4)CCO4)[N+](=O)[O-],0.0
52169,CO-ADD:0134097,1.3,O=C(c1[nH]c([N+](=O)[O-])cn1)NC,0.0
52170,CO-ADD:0134091,1.3,NC(=O)c1[nH]c([N+](=O)[O-])cn1,0.0
52171,CO-ADD:0249440,1.3,S(C)(=O)(=O)N(CC1)CCN1c2ccccc2OC,0.0
52172,CO-ADD:0254658,1.3,C(=O)(NNC(=O)c1ccccc1OC)C(=O)NC(C)(C)C,0.0
52173,CO-ADD:0249565,1.3,N1(CCc(ccc(c2OC)OC)c2)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
52174,CO-ADD:0254824,1.3,C1(C#N)(C#N)[C@@H](c(cccn2)c2)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C56CC(CC7C5)CC(C7)C6,0.0
52175,CO-ADD:0254808,1.3,s1c(c2ccc(cc2)C)nnc1NC(CC)=O,0.0
52176,CO-ADD:0247623,1.3,S(c1ccccc1)(=O)(=O)Oc2cccc3c2cccc3OS(c4ccccc4)(=O)=O,0.0
52177,CO-ADD:0256561,1.3,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccccc3)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
52178,CO-ADD:0256008,1.3,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)Nc4ccccc4CC,0.0
52179,CO-ADD:0250141,1.3,C(=O)(N\N=C(\CC1)/CCN1C)C(NCCc(ccc(c2OC)OC)c2)=O,0.0
52180,CO-ADD:0250383,1.3,c1(\N=C\c(cc(OCO2)c2c3)c3Cl)c(c4ccc(c(OCC)c4)O)nc(cccc5)n15,0.0
52181,CO-ADD:0250232,1.3,C(CSCc(cc(C)cc1C)c1)(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
52182,CO-ADD:0253226,1.3,S(N)(=O)(=O)c1ccc(cc1)NC(=O)C(CC)Sc2nc(C)cc(C)n2,0.0
52183,CO-ADD:0249925,1.3,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c(cc3OC)cc(c3OC)OC,0.0
52184,CO-ADD:0253332,1.29,c1(N\N=C/c(cc2)ccc2C)nc(C)cc(C)n1,0.0
52185,CO-ADD:0253540,1.29,C1(O)(CC(=O)c2ccc(cc2)OC)c3c(NC1=O)ccc(CC)c3,0.0
52186,CO-ADD:0250602,1.29,c12c(ccc(NCCC(c3ccccc3)=O)c1)c4c(cccc4)o2,0.0
52187,CO-ADD:0250322,1.29,C1(c(cc2)ccc2NC(=O)C(c3ccccc3)c4ccccc4)=Nc(c5C(=O)O1)cccc5,0.0
52188,CO-ADD:0253635,1.29,S1(=O)(=O)c(cccc2)c2C(N(C(=O)c3ccc(cc3)Br)N(C)S(=O)(=O)c4ccc(cc4)C)=N1,0.0
52189,CO-ADD:0254848,1.29,N12C(S\C(=C\c3ccccc3OC)\C1=O)=C(C(c4ccccc4OC)C(C(OC)=O)=C2N)C(OC)=O,0.0
52190,CO-ADD:0249553,1.29,C1(C2=O)C(C(C=C3)OC13C)C(N2c4ccc(cc4)OC)=O,0.0
52191,CO-ADD:0255095,1.29,C(C(c1ccccc1)=O)(C2c(cc3)ccc3N(C)C)=C(O)C(N2c4ccc(cc4)C)=O,0.0
52192,CO-ADD:0252846,1.29,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccccc4C(F)(F)F,0.0
52193,CO-ADD:0254759,1.29,c1(c2ccccc2OC)nnc(N)[nH]1,0.0
52194,CO-ADD:0249503,1.29,c(\C=N\NC(COc1ccccc1CC=C)=O)(c2c([nH]3)cccc2)c3,0.0
52195,CO-ADD:0248942,1.29,[S+](c1ccccc1)(c2ccccc2)(=O)[N-][N+](=O)[O-],0.0
52196,CO-ADD:0248844,1.29,C(=S)(Nc1ccccc1)NNC(COc(cc2)ccc2CCC)=O,0.0
52197,CO-ADD:0249490,1.29,C1(=O)c2c(cccc2)OC3(CCCC3)N1,0.0
52198,CO-ADD:0255100,1.29,[Si-]123(CSc4oc(c5n4)cccc5)[N+](CCO1)(CCO2)CCO3,0.0
52199,CO-ADD:0255124,1.29,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N(CC4)CCO4,0.0
52200,CO-ADD:0254737,1.29,c(NC(=O)c1ccc(cc1)C)(s2)c(C(OCC)=O)c(c2C(=O)N3CCCCC3)C,0.0
52201,CO-ADD:0249657,1.29,n12c(S\C(=C\c(ccc(c3OCC)OC)c3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
52202,CO-ADD:0254800,1.29,C(=O)(c1ccc(cc1)Br)Nc2cccc3c2cccc3NC(=O)c4ccc(cc4)Br,0.0
52203,CO-ADD:0255177,1.29,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)C)SC(=NN2c6ccc(cc6)C)C(C)=O,0.0
52204,CO-ADD:0248264,1.29,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c3cc(Br)ccc3OC)\N2c4ccccc4,0.0
52205,CO-ADD:0256019,1.29,N1C(=O)\C(\SC1=O)=C\c(ccc2c3c(Cl)ccc(c3)[N+](=O)[O-])o2,0.0
52206,CO-ADD:0255307,1.29,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccccc3Cl,0.0
52207,CO-ADD:0249896,1.29,c1(nnc(CC(OCC)=O)s1)NC(=O)c(cc2)ccc2C(C)(C)C,0.0
52208,CO-ADD:0256060,1.29,c1(N(CC2)CCO2)nc(N\N=C\c(cc(I)cc3I)c3O)nc(NCc4ccccc4)n1.Cl,0.0
52209,CO-ADD:0247604,1.29,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
52210,CO-ADD:0252302,1.29,N1(OC)\C(=N\c(cc2)ccc2Br)\SC(C)C1=O,0.0
52211,CO-ADD:0253816,1.29,n12c(ccc(Cl)c1)nc(C)c2C(=O)N\N=C\c3c(cccc3Cl)Cl,0.0
52212,CO-ADD:0250187,1.29,C1(C(C)(C)N(C(=S)S1)C)N(C(c2ccc(cc2)Cl)C(C3C(N4c5ccccc5)=O)C4=O)O3,0.0
52213,CO-ADD:0250628,1.29,N1(c2ccccc2)C(=O)\C(\SC1=S)=C/c(cccc3C(F)(F)F)c3,0.0
52214,CO-ADD:0256029,1.29,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\c(cc(n3)c4ccc(cc4)C)n3c5ccccc5,0.0
52215,CO-ADD:0255913,1.29,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(NC1c3ccccc3OC)=O,0.0
52216,CO-ADD:0255866,1.29,N1(CN(CC2)CCN2C(OCC)=O)N=C(N(C)C1=S)COc(cc3)ccc3C4CCCCC4,0.0
52217,CO-ADD:0255594,1.29,C(=O)(c1ccccc1Cl)NC(c2ccc(cc2)Cl)C(=O)Nc3cccc(Cl)c3,0.0
52218,CO-ADD:0256989,1.29,c(CC(C(NCCCl)=O)NC(OCc1ccccc1)=O)(c2c([nH]3)cccc2)c3,0.0
52219,CO-ADD:0253324,1.29,n1(c(C)cc(C)n1)C(=O)c2ccc(c(F)c2)F,0.0
52220,CO-ADD:0256088,1.29,c1(N(CC2)CCO2)nc(N\N=C/c3cc(Br)cc(OC)c3O)nc(Nc(ccc(c4Cl)C)c4)n1.CC(=O)O,0.0
52221,CO-ADD:0255110,1.29,S(=O)(=O)(c1ccc(cc1)\N=C\c2c(cccc2Cl)Cl)Nc3ccccn3,0.0
52222,CO-ADD:0254560,1.29,C(/c1c(N2)cccc1)(=N\NC(=O)c(c(C)on3)c3c4ccccc4)\C2=O,0.0
52223,CO-ADD:0247687,1.28,C(O)(=O)c(cc1)ccc1N(CCCCCC)CCCCCC,0.0
52224,CO-ADD:0247645,1.28,P(=O)(N(CC)CC)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1,0.0
52225,CO-ADD:0254457,1.28,[N+](=O)([O-])c1c(N)ccc(c(ccc(c2[N+](=O)[O-])N)c2)c1,0.0
52226,CO-ADD:0247513,1.28,N1(\N=C\c(ccc(c2OC)OCc3ccccc3)c2)C(=O)c4c(NC1(C)c(cccc5[N+](=O)[O-])c5)cccc4,0.0
52227,CO-ADD:0257013,1.28,C(=O)(NC1CC1)C(NCCOC)=O,0.0
52228,CO-ADD:0255472,1.28,N1(CCN2C(C)(O)C(OC2=O)(C)C)C(C)(O)C(OC1=O)(C)C,0.0
52229,CO-ADD:0256192,1.28,C1(=NC(O)=CC2=O)N2N=C(CCCCCCC)S1,0.0
52230,CO-ADD:0253297,1.28,C(=O)(N(CC1)CCO1)c2ccccc2C(=O)c3[nH]ccn3,0.0
52231,CO-ADD:0250429,1.28,c1(nc(c2n1CC(O)=O)cccc2)c3nonc3N,0.0
52232,CO-ADD:0256692,1.28,n(c(cc(n1)OC)NC(CCC(OCC(F)(F)F)=O)=O)c1OC,0.0
52233,CO-ADD:0254862,1.28,C1(C2c(cc3)ccc3C(OC)=O)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
52234,CO-ADD:0254703,1.28,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5)ccc5I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
52235,CO-ADD:0252483,1.28,[N+](=O)([O-])c1cc2c(cc1\C=N\c3ccc(cc3C(c4ccccc4)=O)Cl)OCO2,0.0
52236,CO-ADD:0253129,1.28,P(O)(CCc1ccccc1)(=O)CN(C)C=O,0.0
52237,CO-ADD:0249036,1.28,C(C#N)(C1c(cc2)ccc2N(C)C)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
52238,CO-ADD:0247801,1.28,c1(cc(cccc2)c2c(\C=N\Nc3sc(c4n3)cccc4)c1O)C(=O)Nc5ccccc5C,0.0
52240,CO-ADD:0254922,1.28,S(=O)(=O)(c(ccc(c1C(=O)OCC(c2ccccc2)=O)C)c1)N(CC3)CCO3,0.0
52241,CO-ADD:0252385,1.28,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
52242,CO-ADD:0247909,1.28,c1(ccc(cc1F)F)C(=O)O\N=C(/C)\c(cc2)cc(c2N3CCCCC3)F,0.0
52243,CO-ADD:0247894,1.28,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cc(cc3C(=O)Nc(cc4)ccc4\C=C\C(c5ccccc5)=O)NC(=O)C(c6ccccc6)c7ccccc7)c3,0.0
52244,CO-ADD:0247970,1.28,N1(c2ccc(c(C)c2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)N4CCC(CC4)C,0.0
52245,CO-ADD:0248122,1.28,N1(O)C(c2ccccc2)Nc(c3C1=O)cccc3,0.0
52246,CO-ADD:0247893,1.28,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(ccc(c45)cccc4)c5,0.0
52247,CO-ADD:0256125,1.28,c12c(c3c(NC(c4ccc(c5c4)cccc5)O1)cccc3)nnc(SCCC)n2,0.0
52248,CO-ADD:0250293,1.28,N1(C(Cc(cc2)ccc2NC(c3ccccc3)=O)C(OCC)=O)C(=O)c4c(cccc4)C1=O,0.0
52249,CO-ADD:0250435,1.28,n12c(S\C(=C/c(cc3OC)cc(c3OCC#C)I)\C1=O)nc(cc(C)c(C)c4)c24,0.0
52250,CO-ADD:0250228,1.28,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)N\N=C(/C2)\CCCCC2,0.0
52251,CO-ADD:0250388,1.28,c1(C#N)c2c(sc1\N=C\c(cc(Cl)cc3Cl)c3O)CCCC2,0.0
52252,CO-ADD:0256752,1.28,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3c(cccc3Cl)Cl,0.0
52253,CO-ADD:0256112,1.28,c1(N2CCCCC2)nc(N\N=C/c3ccccc3[N+](=O)[O-])nc(Nc(cc4)ccc4F)n1.Cl,0.0
52254,CO-ADD:0253955,1.28,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C(/C)\c4ccc(cc4)Cl,0.0
52255,CO-ADD:0250479,1.28,C1(C(OCCCCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)Cl,0.0
52256,CO-ADD:0253863,1.28,c1(N(CC2)CCO2)nc(Cl)nc(Nc(ccc(c3Cl)C)c3)n1,0.0
52257,CO-ADD:0253924,1.28,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C\c(cc4)ccc4Cl,0.0
52258,CO-ADD:0256018,1.28,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
52259,CO-ADD:0248914,1.28,C(=O)(c1ccc(cc1)Br)Nc(ccc(c2C)I)c2,0.0
52260,CO-ADD:0247444,1.28,[N+](=O)([O-])c(cccc1C(=O)NNC(CNC(=O)c2ccc(cc2Cl)Cl)=O)c1,0.0
52261,CO-ADD:0252900,1.28,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cc4)ccc4F,0.0
52262,CO-ADD:0249478,1.28,n1c2c([nH]c1CCC(O)=O)cccc2,0.0
52263,CO-ADD:0254451,1.28,c1(N\N=C(/C)\CC(OCC)=O)nnc(C)n1N.Cl,0.0
52264,CO-ADD:0247432,1.28,n1(\N=C\c(ccc(c2N3C)N(C3=O)C)c2)nnnc1N,0.0
52265,CO-ADD:0257080,1.27,C12(c(cccc3)c3C(c4ccccc4)(c5ccccc5)S1)N(c(cc6)ccc6[N+](=O)[O-])N=C(C(C)=O)S2,0.0
52266,CO-ADD:0257152,1.27,c12c(nnc(SC(CC)C(=O)Nc3cccc(cccc4)c34)n1)c5c(cccc5)n2CCC,0.0
52267,CO-ADD:0255951,1.27,S(=O)(=O)(Nc1ccccc1)c2c(OC)ccc(C(O)=O)c2,0.0
52268,CO-ADD:0253658,1.27,C1(C(OCC)=O)=C(N)OC(CCCC2=O)=C2C1c3cc(c(C)s3)Br,0.0
52269,CO-ADD:0250522,1.27,N1(CN2CCCCCC2)N=C(OC1=S)c3ccc(cc3)C,0.0
52270,CO-ADD:0253858,1.27,c1(cc(s2)CC)c2ncnc1O,0.0
52271,CO-ADD:0253595,1.27,c(cc(C(=O)Nc1cccc(C)c1)cc2[N+](=O)[O-])([N+](=O)[O-])c2Nc(cc3)ccc3Oc4ccccc4,0.0
52272,CO-ADD:0253568,1.27,o1c(SCC(=O)Nc(cc2)ccc2Br)nnc1c3ccc(cc3)OC,0.0
52273,CO-ADD:0249983,1.27,c1(cc(Cl)ccc1NC(CSc2sc(c3n2)cccc3)=O)[N+](=O)[O-],0.0
52274,CO-ADD:0255795,1.27,C1(C(=O)OCC2CCCO2)=C(C)NC(NC1c3ccc(c(OC)c3)OCC)=O,0.0
52275,CO-ADD:0256513,1.27,c(NC(=O)c1cccc(F)c1)(sc(c2c3ccccc3)c4ccccc4)n2.Cl,0.0
52276,CO-ADD:0247438,1.27,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c2ccc(COCC3CCCO3)o2)[N+](=O)[O-],0.0
52277,CO-ADD:0252568,1.27,N1(C(c2ccccc2)CC(\C=C\c3ccccc3)=N1)\C(\C)=C\C(OCC)=O,0.0
52278,CO-ADD:0254849,1.27,N12C(S\C(=C\c3ccccc3F)\C1=O)=C(C(c4ccccc4F)C(C(OCC)=O)=C2N)C(OCC)=O,0.0
52279,CO-ADD:0249299,1.27,C(=C\c(cc1)ccc1[N+](=O)[O-])(/C=C(O2)c3ccccc3)\C2=O,0.0
52280,CO-ADD:0248211,1.27,c1(SC(C)C(=O)N\N=C(/C2)\CCCCCCCCCC2)nc(C)cc(C)n1,0.0
52281,CO-ADD:0252645,1.27,c1(c2c(ccc(c2)[N+](=O)[O-])N(C3=O)CC)c3n(nc1[N+](=O)[O-])C,0.0
52282,CO-ADD:0252630,1.27,C1(C(c2ccc(c(OC)c2)O)C3=C(C)N(N(c4ccccc4)C3=O)C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
52283,CO-ADD:0248062,1.27,c1(C(OCC)=O)[nH]c(c(C(CCCCCCCCC)=O)c1C)C,0.0
52284,CO-ADD:0252987,1.27,c1(cc(sc1CC)C=O)[N+](=O)[O-],0.0
52285,CO-ADD:0253023,1.27,N(=C(/C)\c1ccc(cc1)N)/NC(COc2cccc(Br)c2)=O,0.0
52286,CO-ADD:0253005,1.27,c1(scc(c2ccc(cc2)Br)n1)NC(CCCCN3CCCCC3)=O,0.0
52287,CO-ADD:0248070,1.27,N1(c2ccc(c(C)c2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cccc4C(O)=O)c4,0.0
52288,CO-ADD:0248109,1.27,N1=C(SCC1=O)NC(COc(ccc2c3OC(C=C2C)=O)c3)=O,0.0
52289,CO-ADD:0252592,1.27,n(c1c(CCC1)cc2C#N)c2SCC(=O)Nc3ccccc3,0.0
52290,CO-ADD:0250500,1.27,N1C(=O)\C(\SC1=S)=C/c2ccc(c(cccc3)c23)OC,0.0
52291,CO-ADD:0253874,1.27,C(=C\c(cc1)ccc1Oc(cc2)ncc2[N+](=O)[O-])(/C(=O)NC(N3)=S)\C3=O,0.0
52292,CO-ADD:0255799,1.27,C1(C(OCCCCCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)O,0.0
52293,CO-ADD:0253827,1.27,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(ccc4c5ccc(cc5Cl)[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
52294,CO-ADD:0253212,1.27,[N+](=O)([O-])c1ccccc1OCC(=O)Nc2ccccn2,0.0
52295,CO-ADD:0253245,1.27,c(c1O)c(ccc1\C=N\c(cc2)ccc2Nc3ccccc3)N(CC)CC,0.0
52296,CO-ADD:0256339,1.27,C1(C2c3ccc(c(OC)c3)OC)=C(c4c(cccc4)OC1=O)OC(N)=C2[N+](=O)[O-],0.0
52297,CO-ADD:0255950,1.27,S(=O)(=O)(NCc1ccccc1)c(cccc2C(O)=O)c2,0.0
52298,CO-ADD:0253426,1.27,n1c(c2ccccc2)c[nH]c1SCC(=O)Nc3cccc(C)c3C,0.0
52299,CO-ADD:0256187,1.27,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c3ccccc3O)\N2CC=C,0.0
52300,CO-ADD:0256180,1.27,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4)ccc4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])\C1=O,0.0
52301,CO-ADD:0253415,1.27,c([N+](=O)[O-])(c(c(cc1)ccc1[N+](=O)[O-])c(c2NC(c3ccccc3)=O)C(OCC)=O)s2,0.0
52302,CO-ADD:0254855,1.27,N12C(S\C(=C\c3ccccc3OC)\C1=O)=C(C(c4ccccc4OC)C(C(OC)=O)=C2N)C(OCC)=O,0.0
52303,CO-ADD:0249381,1.27,C(=O)(c1ccc(cc1)C)Nc2cccc(Cl)c2Cl,0.0
52304,CO-ADD:0248884,1.27,c1(I)ccc(\C=N\c(cc2)ccc2Oc(cc3)ccc3Cl)o1,0.0
52305,CO-ADD:0248988,1.27,N(CCc(c12)c3c(cccc3)[nH]1)(C2c(ccc(c45)OCO4)c5)C(=O)c6cc(F)ccc6F,0.0
52306,CO-ADD:0249212,1.27,N1(C(=O)c2ccccn2)N=C(CC1(O)c3cccc(OC)c3)C(F)(F)F,0.0
52308,CO-ADD:0250080,1.26,N1\C(=N/N=C\c2ccc(C)o2)\SC(CC(O)=O)C1=O,0.0
52309,CO-ADD:0250096,1.26,c1(SC(C)c2ccccc2)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
52310,CO-ADD:0250272,1.26,n1(nnc(C(OCC)=O)c1CNC(C)C)c2nonc2N,0.0
52311,CO-ADD:0255465,1.26,S(C)(=O)(=O)N(C)CP(O)(=O)CN(C)C,0.0
52312,CO-ADD:0256145,1.26,N1(CCN)C(=O)\C(\SC1=O)=C/c(cc2)ccc2OCC,0.0
52313,CO-ADD:0256953,1.26,N1(c(ccc(c2s3)nc3SCC(NCCc4ccccc4)=O)c2)C(=O)c(c5C1=O)cccc5,0.0
52314,CO-ADD:0253532,1.26,N1(CCCc(cccc2)c12)C(=O)CSc3sc4c(ccc(CC)c4)n3,0.0
52315,CO-ADD:0256580,1.26,c12c(cc(c3c1OC)cco3)C=CC(=O)O2,0.0
52316,CO-ADD:0254083,1.26,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Cl)c4sc(c5c4C#N)CCCC5,0.0
52317,CO-ADD:0255347,1.26,n(c1)(cnn1)N(C(CCCOc2ccc(cc2Cl)Cl)=O)C(CCCOc3ccc(cc3Cl)Cl)=O,0.0
52318,CO-ADD:0255772,1.26,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c3cccc(Oc4ccccc4)c3)=O,0.0
52319,CO-ADD:0137558,1.26,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC(C=CC=C4)=C4N=C3)=O)C=C1C(NC5=CN(C)C(C(NCCC(N)=N)=O)=C5)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
52320,CO-ADD:0252877,1.26,C1(c2cccc(c2)NC(C)=O)=Nc(c3C(=O)O1)cccc3,0.0
52321,CO-ADD:0252904,1.26,[N+](=O)([O-])c(cc1)cc(c1C(=O)N\N=C(/C)\CC(NCC)=O)Cl,0.0
52322,CO-ADD:0252919,1.26,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(c(cccc3)c3n4Cc(cc5)ccc5Cl)c4)\N2c6ccccc6,0.0
52323,CO-ADD:0253037,1.26,N1(C(=O)c2cccc(C)c2)C(O)(c3ccc(cc3)Br)CC(C(F)(F)F)=N1,0.0
52324,CO-ADD:0252723,1.26,S(=O)(=O)(CCO)c(ccc(c1N2)OC2=O)c1,0.0
52325,CO-ADD:0252705,1.26,c1(c(OCCCC)ccc(OCCCC)c1[N+](=O)[O-])[N+](=O)[O-],0.0
52326,CO-ADD:0252423,1.26,S(=O)(=O)(c1ccc(cc1)\N=C\c2cccc(OC)c2)Nc3ccccn3,0.0
52327,CO-ADD:0253536,1.26,N1(CN(CC2)CCC2C(N)=O)N=C(N(C)C1=S)COc3ccccc3,0.0
52328,CO-ADD:0253593,1.26,c1(cc(cc(C(=O)Nc(ccc(c2Cl)C)c2)c1Nc3ccccc3OC)[N+](=O)[O-])[N+](=O)[O-],0.0
52329,CO-ADD:0255816,1.26,N1(c2ccc(c(Cl)c2)NC(=O)c(cccc3C(=O)Nc(cc4)c(Cl)cc4N5C(=O)c(c6C5=O)ccc(C(O)=O)c6)c3)C(=O)c(c7C1=O)ccc(C(O)=O)c7,0.0
52330,CO-ADD:0255437,1.26,s1c(N)nnc1SCC(=O)Nc(cc2)ccc2NC(C)=O,0.0
52331,CO-ADD:0255629,1.26,n1(c2cc(C)ccc2Oc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])nc4c(cccc4)n1,0.0
52332,CO-ADD:0255711,1.26,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)OC(N3CCCCC3)=N1,0.0
52333,CO-ADD:0256827,1.26,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(NCCc(cc3)ccc3Cl)=O,0.0
52334,CO-ADD:0256862,1.26,C(=O)(c(cc1)ccc1C(=O)Nc(cccc2NC(=O)c(cc3)ccc3C(=O)N(C4CCCCC4)C5CCCCC5)c2)N(C6CCCCC6)C7CCCCC7,0.0
52335,CO-ADD:0256413,1.26,N1(C(c2ccc(cc2)OC)CC(c3ccc(cc3)OC)=N1)c4scc(c5ccc(c(C)c5)C)n4,0.0
52336,CO-ADD:0255638,1.26,C(CSc(cc1)ccc1Cl)(=O)NCc(cc2)ccc2Cl,0.0
52337,CO-ADD:0249980,1.26,C(C(=O)Nc(cc1)ccc1C)(NC2=O)=CC(N2)=O,0.0
52338,CO-ADD:0250399,1.26,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OCc(cc5)ccc5C)c4)\C1=O,0.0
52339,CO-ADD:0247699,1.26,C([P+](c1ccccc1)(c2ccccc2)c3ccccc3)(C(=O)[N-]4)=C(SC)N=C4c5ccc(cc5Cl)Cl,0.0
52340,CO-ADD:0255146,1.26,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3OC)cc(c3OCC=C)I)\N2CC=C,0.0
52341,CO-ADD:0254408,1.26,c1(cc(CCc2ccc(cc2)CC3)ccc13)C(=O)\C=C\c(cc4)ccc4N(C)C,0.0
52342,CO-ADD:0252969,1.26,n1c2c(cccc2)ccc1c3ccc(cc3)C,0.0
52343,CO-ADD:0252365,1.26,C(=N\NC(c(cc1)ccn1)=O)(/C2=O)\C(=O)c3c2cccc3,0.0
52344,CO-ADD:0248979,1.26,n1(c2c(nn1)cccc2)S(=O)(=O)c3ccc(cc3)OCCCC,0.0
52345,CO-ADD:0256193,1.26,c1(C(OC)=O)sc2c(ccc(OC)c2)n1,0.0
52346,CO-ADD:0256162,1.25,N1(C(=O)c2ccccc2O)N=C(CC1(O)c(cccn3)c3)C(F)(F)F,0.0
52347,CO-ADD:0256034,1.25,C(COc1c2cc(c(C)c1Br)Br)(CN3CCCCC3)(CN4CCCCC4)C2=O,0.0
52348,CO-ADD:0256058,1.25,c1(N(CC2)CCO2)nc(N\N=C/c3cc(Cl)ccc3O)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
52349,CO-ADD:0250413,1.25,C(=C/c(ccc1c(cc2)c(C)c(c2[N+](=O)[O-])C)o1)(/C3=O)\C(=O)NC(=S)N3,0.0
52350,CO-ADD:0256723,1.25,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(=O)Nc(cccc3C(F)(F)F)c3)[N+](=O)[O-],0.0
52351,CO-ADD:0256203,1.25,N(c1ccccc1OCC)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
52352,CO-ADD:0250312,1.25,n(c1C)(nnc1C(=O)N\N=C(/CCC2)\C2)c3nonc3N,0.0
52353,CO-ADD:0250574,1.25,c1(SCC(=O)N\N=C\c2cccs2)sc(c3n1)cccc3,0.0
52354,CO-ADD:0250376,1.25,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc(c4OC)OCc5c(cccc5F)Cl)c4)\C1=O,0.0
52355,CO-ADD:0256592,1.25,c1(SCC(OCC(=O)Nc(cc2)ccc2C)=O)nc(c3ccccc3)cc(c4ccccc4)n1,0.0
52356,CO-ADD:0254003,1.25,C(C#N)(C1c2ccc(cc2)SC)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
52358,CO-ADD:0133863,1.25,c1n(Cc2ccc(C(F)(F)F)cc2)c(C(=O)N)nc1[N+](=O)[O-],0.0
52359,CO-ADD:0254384,1.25,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(C)c1)C(=O)Nc2ccccc2OC,0.0
52360,CO-ADD:0253070,1.25,c1(C#N)c(SCc2ccccc2)nsc1N\N=C\c3cccc(I)c3,0.0
52362,CO-ADD:0247370,1.25,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OCC)c5)OCc6ccc(cc6Cl)Cl,0.0
52363,CO-ADD:0248000,1.25,c12c(nnc(SCCN(CC3)CCO3)n1)c4c(cccc4)n2CC=C,0.0
52364,CO-ADD:0254383,1.25,S(c1ccccc1)(=O)(=O)N(c2ccccc2)CC(=O)NCc(cc3)ccc3C,0.0
52365,CO-ADD:0254393,1.25,C(F)(F)(C(F)(F)C(F)(F)C(C1(F)F)(F)F)C1(F)C(=O)Nc(cc2)ccc2F,0.0
52366,CO-ADD:0247568,1.25,c1(SCC=C)sc2c(ccc(c2)\N=C\c3cc(Cl)ccc3O)n1,0.0
52367,CO-ADD:0255583,1.25,c1(SC(F)(F)F)c(Cl)c(Cl)nc(NN)c1Cl,0.0
52368,CO-ADD:0255368,1.25,c1(NC(CCCOc2ccc(cc2Cl)Cl)=O)sc(cc1C(OCC)=O)CC,0.0
52369,CO-ADD:0253511,1.25,N12C(C)(C3C(C)(C)N1)C(OC2=O)(C)CC3,0.0
52370,CO-ADD:0253208,1.25,n1(nc(s2)SCC(=O)c3cccs3)c2nnc1SCC(=O)c4cccs4,0.0
52371,CO-ADD:0253185,1.25,c1(ccoc1C)C(=O)N\N=C\c2cccc(OC)c2O,0.0
52372,CO-ADD:0250487,1.25,N(C(=O)\C(\S1)=C\c(cc2)ccc2C(C)C)=C1N3CCCC3,0.0
52373,CO-ADD:0250511,1.25,N(CN(CC1)CCC1C(N)=O)(N=C(N2c3ccccc3)c4cccc(F)c4)C2=S,0.0
52374,CO-ADD:0253344,1.25,n1(nnc(C(=O)N\N=C\c(ccc(c2OCC)O)c2)c1CN3CCCC3)c4nonc4N,0.0
52375,CO-ADD:0256434,1.25,N(CN(CC1)CCN1C(OCC)=O)(C2=S)N=C(N2c3ccccc3)c4ccco4,0.0
52376,CO-ADD:0257017,1.25,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)c(ccc3c4Cc(c35)cccc5)c4)n1c6ccccc6,0.0
52377,CO-ADD:0256868,1.25,N1(c2ccc(cc2)Br)C(=O)CC(N(Cc3ccco3)C(C)=O)C1=O,0.0
52378,CO-ADD:0249284,1.25,c1(SCC(NCCCC)=O)sc2c(ccc(c2)NC(=O)c3ccc(cc3)Br)n1,0.0
52379,CO-ADD:0249777,1.25,N1(c2ccccc2OCC)C(=O)C(C(C1=O)C34\C=N\c5ccc(cc5C)C)C(c(c36)cccc6)c(c47)cccc7,0.0
52380,CO-ADD:0248257,1.25,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc5c6ccccc6Cl)o5,0.0
52381,CO-ADD:0247924,1.24,C(=C\c(ccc1c(ccc(c2Cl)Cl)c2)o1)(/C3=O)\C(=O)NC(=O)N3,0.0
52382,CO-ADD:0248044,1.24,N1(C(=O)c(c2C1=O)cccc2)c3sc(c(C)c3C#N)C,0.0
52383,CO-ADD:0254817,1.24,c1(C2c3cc(OC)ccc3OC)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
52384,CO-ADD:0253359,1.24,C1(=CCC(=O)O1)c2ccc(c(C)c2)C,0.0
52385,CO-ADD:0256204,1.24,N(CC1)(CCN1CCOc2cccc(Cl)c2)c3ccccc3C.Cl,0.0
52386,CO-ADD:0256475,1.24,c1(C=C(c2ccccc2)CC3c4ccccc4)c3c(n[nH]1)C,0.0
52387,CO-ADD:0256483,1.24,S(=O)(=O)(c1ccc(cc1)C)N(C)c(cc2)ccc2C(=O)N3CCCCC3,0.0
52388,CO-ADD:0256323,1.24,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c4nonc4N,0.0
52389,CO-ADD:0256331,1.24,N1(c2cc(Cl)cc(Cl)c2)C(=O)CC(N3CCC(CC3)C)C1=O,0.0
52390,CO-ADD:0254010,1.24,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3OC)cc(c3O)Br)\N2CC=C,0.0
52391,CO-ADD:0256001,1.24,C(C#N)(C(c1ccc(cc1)SC)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
52392,CO-ADD:0250591,1.24,c1(nonc1N)\C(\N)=N\OCC(=O)Nc2c(C)cccc2C,0.0
52393,CO-ADD:0253948,1.24,C(=O)(Nc(cccc1C#N)c1)c2ccccc2C(O)=O,0.0
52394,CO-ADD:0256233,1.24,c(c1c([nH]2)cccc1)(nn(cc(n3)c4ccccc4)c3n5)c25,0.0
52395,CO-ADD:0256250,1.24,c1(scc(c2ccc(cc2)Br)n1)NC(=O)\C=C\c3ccco3,0.0
52396,CO-ADD:0247581,1.24,n1(c(C)c(nn1)\C(\C)=N\NC(=O)CC2c3c(N=C2)cccc3)c4nonc4N,0.0
52397,CO-ADD:0252739,1.24,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CN(C(C)=O)CN2S(=O)(=O)c3ccc(cc3)C,0.0
52398,CO-ADD:0252632,1.24,S(c1ccccc1)(=O)(=O)N(c2ccccc2)CC(=O)N(CC3)CCO3,0.0
52399,CO-ADD:0253119,1.24,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C\c4ccccc4OC,0.0
52400,CO-ADD:0252384,1.24,c(C(N)=O)(c1SCC)c(SCC)sn1,0.0
52401,CO-ADD:0248268,1.24,c12c(non1)nc(Nc3cccc(C)c3C)c(N\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n2,0.0
52402,CO-ADD:0252360,1.24,C(C(=O)C(C)(C)C)C(=O)Nc1c(Cl)ccc(c1)NC(CCCOc2ccc(cc2CCCCC)CCCCC)=O,0.0
52403,CO-ADD:0250132,1.24,C(/C1=O)(=C\c2ccccc2OCCCCCCC)\C(c3ccccc3)=NO1,0.0
52404,CO-ADD:0253475,1.24,c1(SCc2ccccc2Cl)[nH]c(c3n1)ccc(C)c3,0.0
52405,CO-ADD:0250691,1.24,C(=O)(C(C)c1ccc(cc1)CC(C)C)NCC(C)C,0.0
52406,CO-ADD:0253959,1.24,C(C(OCC)=O)(C1c2ccc(cc2)CC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl.[Na+],0.0
52407,CO-ADD:0253975,1.24,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc(c4OC)OCc5cccc(cccc6)c56)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
52408,CO-ADD:0255608,1.24,N1(c2ccccc2)C(=O)c3c(c(ccc4Nc5ccccc5)C1=O)c4ccc3,0.0
52409,CO-ADD:0256334,1.24,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C(OC)=O)=C1N)c4ccc(c(OC)c4)OC,0.0
52410,CO-ADD:0253498,1.24,S(c1ccccc1)(=O)(=O)Oc2ccccc2\C=C(\C3=O)/N=C(O3)c4ccc(cc4)Cl,0.0
52411,CO-ADD:0253264,1.24,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C\c(ccc3c4c(OC)ccc(c4)[N+](=O)[O-])o3)\N2c5ccccc5,0.0
52412,CO-ADD:0253288,1.24,C(CSCc(c1)cc(cc1C)C)(=O)N\N=C\c2ccc(cc2OC)OC,0.0
52413,CO-ADD:0256779,1.24,n(Cc1ccc(cc1Cl)Cl)(c2c(c3\C=N\NC(=O)c(cc4)ccc4[N+](=O)[O-])cccc2)c3,0.0
52414,CO-ADD:0256970,1.24,S(=O)(=O)(N(CC1)CCN1Cc2ccccc2)c3ccc(c(cccc4)c34)OCC,0.0
52415,CO-ADD:0247762,1.24,c1(ncnc(N\N=C(/C)\c2ccc(cc2)CCCC)c1)N(CC3)CCO3,0.0
52416,CO-ADD:0255008,1.24,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)c(OCC)cc2C(=S)N(CC3)CCO3)c1C,0.0
52417,CO-ADD:0254818,1.24,C1(C#N)=C(SCc2cccc(OC)c2)NC(=C(C(C)=O)[C@@]1([H])c3ccccc3[N+](=O)[O-])C,0.0
52418,CO-ADD:0248010,1.24,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3cccs3)c4nonc4N,0.0
52419,CO-ADD:0249547,1.24,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCN3C=O)C1=O,0.0
52420,CO-ADD:0249642,1.24,C1(=O)Nc(c2N1)ccc(c2)\N=C/c3cc(I)cc(I)c3OCc4ccccc4,0.0
52421,CO-ADD:0254028,1.24,c1(c2ccccc2Cl)nnn(CC(=O)N\N=C\c(c3)c(N(CC4)CCO4)cc(N(CC5)CCO5)c3[N+](=O)[O-])n1,0.0
52422,CO-ADD:0256094,1.24,c(Nc1ccccc1)(nc(N\N=C\c(ccc(c2OC)OCc3ccccc3Cl)c2)nc4Nc5ccccc5)n4.Cl,0.0
52423,CO-ADD:0249940,1.24,c1(OC(N)=C(C2c3ccccc3Cl)C#N)c2c(n[nH]1)C,0.0
52424,CO-ADD:0250586,1.24,N(C(=O)\C(\S1)=C\c2ccc(cc2OC)OC)=C1N3CCCCCC3,0.0
52425,CO-ADD:0256225,1.24,C(=C\c1ccccc1)/C(=O)C(C)(C)O,0.0
52426,CO-ADD:0257065,1.24,C(=C/c(ccc(c1OCC)O)c1)(/C2=O)\C(c3ccccc3)=NO2,0.0
52427,CO-ADD:0256603,1.23,c(c(C)sc1c2c3c(CCCCCC3)nc(N)c2C#N)([N+](=O)[O-])c1,0.0
52428,CO-ADD:0253911,1.23,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(=C\c(cc3)ccc3OCC(C)C)\C(N(c4ccccc4)C1=S)=O,0.0
52429,CO-ADD:0253149,1.23,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)Nc(cc3)ccc3C,0.0
52430,CO-ADD:0253474,1.23,n1(c2ccccc2)nnnc1SCc3c(cccc4)c4c5c(cccc5)n3,0.0
52431,CO-ADD:0250124,1.23,c1(cc(n2)c3ccc(cc3)Br)n2c(cc(C)n1)C,0.0
52432,CO-ADD:0255847,1.23,c1(ccc(cc1Cl)Cl)C(=O)NC(CC2)CCN2Cc3ccccc3,0.0
52433,CO-ADD:0254918,1.23,S(=O)(=O)(N1CCCCC1)c(c(Cl)cc(c2C(=O)Nc3sc(c4c3C#N)CCCC4)Cl)c2,0.0
52434,CO-ADD:0252417,1.23,c(C(=O)N\N=C\c(c(O)ccc1[N+](=O)[O-])c1)(c(C)on2)c2c3ccccc3,0.0
52435,CO-ADD:0252396,1.23,N1(c(cc2)ccc2C(=O)Nc3cccc(Br)c3)C(=O)c4c(cccn4)C1=O,0.0
52436,CO-ADD:0248065,1.23,N1(c2cccc(c2)C(=O)Nc(cccc3[N+](=O)[O-])c3)C(=O)c(c4C1=O)ccc(c4)[N+](=O)[O-],0.0
52437,CO-ADD:0254490,1.23,S(CCCC)(=O)(=O)C1C(C(CC12)C=C2)\C=C\S(CCCC)(=O)=O,0.0
52438,CO-ADD:0247393,1.23,N1C(SCC(=O)Oc(cccn2)c2)=NN=C(C)C1=O,0.0
52439,CO-ADD:0252760,1.23,N(\C(=C/c(cccc1[N+](=O)[O-])c1)\C(O2)=O)=C2c(cccc3[N+](=O)[O-])c3,0.0
52440,CO-ADD:0252209,1.23,[N+](=O)([O-])c1cc(ccc1Cl)\C=N/NC(=O)c2ccc(cc2)F,0.0
52441,CO-ADD:0253721,1.23,N1(CC(=O)Nc2ccccc2)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
52442,CO-ADD:0250677,1.23,N1c(ccc(c2)C)c2C3C(CC=C3)C1c4ccc(cc4)\N=C\c5c(cccc5Cl)Cl,0.0
52443,CO-ADD:0253603,1.23,C(=C/c1cc(Br)ccc1OC)(/C2=O)\C(C(OC)=O)=C(N2)C,0.0
52444,CO-ADD:0257153,1.23,N1=C(SCC1=O)NC(CSc2nc(c3ccccc3)cc(c4ccccc4)n2)=O,0.0
52445,CO-ADD:0249951,1.23,C(=N)(N(CC1)CCO1)\C(\C#N)=N\Nc2ccccc2F,0.0
52446,CO-ADD:0256051,1.23,c1(N(CC2)CCO2)nc(N\N=C/c(ccc3c(ccc(c4C(O)=O)Cl)c4)o3)nc(Nc(cc5)ccc5F)n1.Cl,0.0
52447,CO-ADD:0255481,1.23,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
52448,CO-ADD:0253637,1.23,C1([N+](=O)[O-])=C(NCc(cc2)ccc2OC)c3c(cccc3)OC1=O,0.0
52449,CO-ADD:0250116,1.23,c1(C(OCC)=O)c(cc(OC)cc2)c2n(CCN(CC3)CCN3c4ccccc4)c1C,0.0
52450,CO-ADD:0255326,1.23,c1(c2)c(ccc(cccc3)c13)c(c(C[N+]45CCCC4)c2C5)C.[Cl-],0.0
52451,CO-ADD:0255936,1.23,c(cc(Br)c(c1)OC)(\C=N\c(cc2)ccc2OCC)c1OC,0.0
52452,CO-ADD:0254021,1.23,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc4OC)cc(c4OCc5cccc(cccc6)c56)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
52453,CO-ADD:0254071,1.23,C(C(OCC)=O)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
52454,CO-ADD:0256102,1.23,c1(N(C)C)nc(N\N=C/c(cc(Br)cc2Br)c2OC)nc(Nc(cc3)ccc3F)n1.Cl,0.0
52455,CO-ADD:0253337,1.23,c1(cc(ccc1Oc2ccccc2\C=N/NC(=O)c(cc3OC)cc(c3OC)OC)C(F)(F)F)[N+](=O)[O-],0.0
52456,CO-ADD:0253388,1.23,c12c(c3c(NC(C(CCC(=C4)C)C4)O1)cccc3)nnc(SCCC)n2,0.0
52457,CO-ADD:0255486,1.23,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)F)c4sc(c5c4C(OC)=O)CCCCC5,0.0
52458,CO-ADD:0253626,1.23,C1(c(cc(OC(C)=O)cc2C3=Nc(c4C(=O)O3)cccc4)c2)=Nc(c5C(=O)O1)cccc5,0.0
52459,CO-ADD:0255564,1.23,n1(nnc(C(OC)=O)c1CN2CCC(CC2)C)c3nonc3N,0.0
52460,CO-ADD:0250191,1.23,c1(SCC(=O)NC2CCCCC2)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
52461,CO-ADD:0257040,1.23,c1(c(O)ccc(cccc2)c12)CN(CC3)CCC3C(OCC)=O,0.0
52462,CO-ADD:0256036,1.23,c12c(c3c(cccc3)o1)N=C(CO)NC2=O,0.0
52463,CO-ADD:0250408,1.23,n1c(N2CCC(CC2)C)c(Nc3cccc(Cl)c3)nc(non4)c14,0.0
52464,CO-ADD:0252313,1.23,c1(cccc(cccc2)c12)NC(COc3cccc(Cl)c3)=O,0.0
52465,CO-ADD:0248226,1.23,c(nc(Nc(cccc1C(F)(F)F)c1)nc2n3c(C)cc(C)n3)(n4c(C)cc(C)n4)n2,0.0
52466,CO-ADD:0253055,1.23,c12c(cc(c3ccc(cc3)OC)c(C#N)c1N)C(C(OCC)=O)=NN(c4ccccc4)C2=O,0.0
52467,CO-ADD:0252320,1.23,[N+](=O)([O-])c1cc(OC)c(cc1CC(OC)=O)OC,0.0
52468,CO-ADD:0248240,1.23,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
52469,CO-ADD:0255227,1.23,C(=N/c1ccccc1)(/SC=C2c3ccc(cc3)F)\N2CCO.Br,0.0
52470,CO-ADD:0254870,1.23,C1(C2c3ccc(cc3)OC)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC4=O)=C24,0.0
52471,CO-ADD:0252677,1.23,c1(c2ccccc2O)[nH]c(c3n1)cccc3,0.0
52472,CO-ADD:0254037,1.23,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc2c3ccc(c(Cl)c3)C)o2,0.0
52473,CO-ADD:0255813,1.23,C1(C(OC\C=C\C)=O)=C(C)NC(=O)NC1c(cc2)ccc2[N+](=O)[O-],0.0
52474,CO-ADD:0253865,1.23,c1(c2cccc(cccc3)c23)c(C)[nH]c(C)c1C(OCC)=O,0.0
52475,CO-ADD:0255766,1.23,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)CC)c4sc(c5c4C#N)CCCC5,0.0
52476,CO-ADD:0255782,1.23,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c2ccccc2OCCCC)=O,0.0
52477,CO-ADD:0250266,1.23,c1(cc(cc(C(O)=O)c1Nc(cc2)ccc2N(C)C)[N+](=O)[O-])[N+](=O)[O-],0.0
52478,CO-ADD:0252201,1.23,c1(\C=N/NC(=O)c2ccc(cc2)F)cc(I)ccc1O,0.0
52479,CO-ADD:0247619,1.23,N(C(C(C)SCC(=O)Nc(ccc(c12)cccc1)c2)=O)c3c(C)cc(cc3C)C,0.0
52480,CO-ADD:0248251,1.23,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
52481,CO-ADD:0253139,1.22,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c2cc(Br)ccc2OC)F,0.0
52482,CO-ADD:0254550,1.22,c1(\C=N\NC(=O)c2cccc(I)c2)c3c([nH]c1C)cccc3,0.0
52483,CO-ADD:0247906,1.22,C(=O)(N\N=C\c1cccc(O)c1)c2cccc(C)c2,0.0
52484,CO-ADD:0252983,1.22,[B-]1(c2ccccc2)(c3ccccc3)OC(C)=C(C(\C=C\N(C)C)=[O+]1)\C(\N)=C/C#N,0.0
52485,CO-ADD:0257039,1.22,N1C(=O)\C(\SC1=S)=C/c(cc2OC)cc(c2OCc3ccccc3Cl)Br,0.0
52486,CO-ADD:0256258,1.22,c1(NC(CSC2=NC(C)=CC(=O)N2)=O)sc(c(ccc3C(OCC)=O)n1)c3,0.0
52487,CO-ADD:0256275,1.22,c1(\N=C\c(cc(Cl)cc2Cl)c2O)c(c3ccc(c(OC)c3)O)nc(cccc4)n14,0.0
52488,CO-ADD:0250316,1.22,N(=C(/C)\c1ccc(c(OC)c1)OC)/NC(COc2cccc(Br)c2)=O,0.0
52489,CO-ADD:0255361,1.22,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c4cc(OC)ccc4OC)\C1=O,0.0
52490,CO-ADD:0255721,1.22,[N+](=O)([O-])c1ccc(c(Br)c1)\N=C\c(cc2)ccc2OCc3ccccc3,0.0
52491,CO-ADD:0254364,1.22,c1(CC(=O)NC(C)(C)CO)c(SC)c(c2n1C)cc(cc2)OC,0.0
52492,CO-ADD:0255094,1.22,C(C(c1ccccc1)=O)(C2c3ccc(cc3)OC)=C(O)C(N2CCBr)=O,0.0
52493,CO-ADD:0248870,1.22,n1(Cc2ccccc2)c(cccc3)c3c(SC)c1CC(OCC)=O,0.0
52494,CO-ADD:0248952,1.22,N(c1ccccc1F)C(COc2ccccc2C)=O,0.0
52495,CO-ADD:0249717,1.22,C(=O)(c1ccc(cc1)F)N\N=C(\C)/C=C/C=C/c2ccccc2,0.0
52496,CO-ADD:0249411,1.22,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)F,0.0
52497,CO-ADD:0137613,1.22,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC(C=CC=C4)=C4N=C3)=O)C=C1C(NC5=CN(C(C)C)C(C(NCCN6CCOCC6)=O)=C5)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
52500,CO-ADD:0250306,1.22,C(C(OCC)=O)(C1c2scc(Br)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
52501,CO-ADD:0256548,1.22,N1(Cc2ccccn2)C(C)(O)C3(OC1=O)CCCCC3,0.0
52502,CO-ADD:0256462,1.22,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c3ccccc3OC(C)C)=O,0.0
52503,CO-ADD:0256496,1.22,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc(Cl)cc3Cl)c3OC,0.0
52504,CO-ADD:0256664,1.22,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)C)CC(=O)N(CC3)CCN3c4ccccc4OC,0.0
52505,CO-ADD:0253364,1.22,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
52506,CO-ADD:0252952,1.22,S(CCCCCCCCCC)(=O)(=O)N\N=C\c1cc(OC)ccc1O,0.0
52507,CO-ADD:0247988,1.22,C1(CC1)(C(C(C23)C=CC24CC4)C5C6C5)C36,0.0
52508,CO-ADD:0247925,1.22,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c5ccccc5Cl)\C1=O)=NC(C)=C2C(OCC)=O,0.0
52509,CO-ADD:0247591,1.22,C(/NC(C)=O)(=C\c(ccc(c12)OCO1)c2)\C(=O)NCc3ccccc3,0.0
52510,CO-ADD:0255198,1.22,n1(Cc2ccccc2)c3c(cc1CC(=O)Nc(cc4)ccc4OC)cccc3,0.0
52511,CO-ADD:0252930,1.22,C(#C)C(O)(CC1)CC(S1)(C)C,0.0
52512,CO-ADD:0255165,1.22,C(=C/c1ccccc1)(/NC(c2ccccc2)=O)\C(=O)N\N=C\C(c3ccccc3)=O,0.0
52513,CO-ADD:0254511,1.22,N1(c(cc2)ccc2C(=O)N(CC3)CCN3C(OCC)=O)C(=O)c4c(cccc4)C1=O,0.0
52514,CO-ADD:0257131,1.22,c1(NC(CSc2[nH]c(c3n2)cccc3)=O)nnc(CC)s1,0.0
52515,CO-ADD:0249919,1.22,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4OC)cc(c4OCC#C)I)\C1=O,0.0
52516,CO-ADD:0255871,1.22,c1(SC(C)C(=O)NC(c2ccccc2)c3ccccc3)nnc(COc4ccccc4)n1c5ccccc5,0.0
52517,CO-ADD:0255561,1.22,c1(NC(=O)CN(CC2)CCO2)nnc(SCC(=O)Nc(cc3)ccc3C(C)=O)s1,0.0
52518,CO-ADD:0253809,1.22,C(/c(ccc(c1C)Cl)c1N2)(\C2=O)=C(\S\C(\N3c4ccccc4)=N/c5ccccc5)/C3=O,0.0
52519,CO-ADD:0256465,1.22,[N+](=O)([O-])c1c(F)ccc(c1)c([nH]nn2)n2,0.0
52520,CO-ADD:0252548,1.22,C1(C)(C)C(C1(C)C)C(=O)Nc(c(C)ccc2[N+](=O)[O-])c2,0.0
52521,CO-ADD:0249091,1.22,N1(\N=C\c(cc(Br)cc2Br)c2O)C(=O)c3c(NC1(C)c(cccc4[N+](=O)[O-])c4)cccc3,0.0
52522,CO-ADD:0252856,1.22,C(C(OCCOC)=O)(C(c(cc1OC)cc(c1O)Br)N2)=C(C)N(C2=O)CC,0.0
52523,CO-ADD:0252835,1.22,C(c(cc1)ccn1)(=O)N\N=C/C(/C)=C/c2ccccc2,0.0
52524,CO-ADD:0255026,1.22,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=S)=C/c3ccccc3Sc(cc4)ccc4Cl,0.0
52525,CO-ADD:0249316,1.22,N1(NC(=O)c2ccccc2Cl)C(=O)C(C(C34)C1=O)C(c5c3cccc5)c6c4cccc6,0.0
52526,CO-ADD:0255320,1.22,C(=N)(N(CC1)CCO1)\C(\C#N)=N\Nc(cc2)ccc2Br,0.0
52527,CO-ADD:0257033,1.22,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)Nc(ccc(c3s4)nc4SCc(cc5)ccc5Br)c3)n1C,0.0
52528,CO-ADD:0253557,1.22,C1(=S)NC2(NN1c3ccc(cc3)C)CCCCC2,0.0
52529,CO-ADD:0253605,1.21,C(=O)(C(Cc1ccccc1)NC(=O)Oc2ccccc2)Nc3cc(C)ccc3C,0.0
52530,CO-ADD:0253766,1.21,C(/CC1CC)(=C/c(cc2)ccc2NC(C)=O)\C(=O)\C(\C1)=C\c(cc3)ccc3NC(C)=O,0.0
52531,CO-ADD:0250221,1.21,c1(c(ccc(c1)[N+](=O)[O-])Oc(cc2)ccc2C(=O)OCC(c3ccccc3)=O)[N+](=O)[O-],0.0
52532,CO-ADD:0247878,1.21,c1(cc(C)ccc1NC(=O)c2cc(OC)cc(OC)c2)C(O)=O,0.0
52533,CO-ADD:0247974,1.21,C(O)(C(C)C)(C(C)C)C#CCN1CCCCC1,0.0
52534,CO-ADD:0247833,1.21,C(=N/c1ccccc1Cl)(/S\C(\C2=O)=C\c(cc3OC)cc(c3OC)OC)\N2,0.0
52535,CO-ADD:0252927,1.21,C(=C\c(cc1I)cc(c1O)I)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
52536,CO-ADD:0247962,1.21,S(NCCCCc1ccccc1)(=O)(=O)c(ccc(c23)C(=O)c4c(cccc4)C2=O)c3,0.0
52537,CO-ADD:0254946,1.21,c1(C#N)c(COC)cc(nc1N\N=C\c(ccc2c3ccc(cc3)I)o2)C,0.0
52538,CO-ADD:0249520,1.21,n1(nnc(C(=O)N\N=C\c2ccc(C)o2)c1CN(CC3)CCO3)c4nonc4N,0.0
52539,CO-ADD:0253952,1.21,N1(c(cc2)ccc2C(=O)Nc3ccc(cc3C(O)=O)O)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5ccc(cc5C(O)=O)O,0.0
52540,CO-ADD:0253302,1.21,C(/Sc(c12)cccc1)(\N2C)=N/C(c3ccc(cc3)Br)\N=C(/Sc(c45)cccc4)\N5C,0.0
52541,CO-ADD:0253646,1.21,C12(c3c(NC1=O)ccc(Cl)c3)C(C#N)=C(N)OC(CCC)=C2C(OCC)=O,0.0
52542,CO-ADD:0250693,1.21,n1(nnc(C(=O)N\N=C\c(ccc(c2OCC)O)c2)c1CN3CCCCC3)c4nonc4N,0.0
52543,CO-ADD:0257020,1.21,S(=O)(=O)(N1CCCCCC1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c3ccco3,0.0
52544,CO-ADD:0256876,1.21,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c2cccc(OCC)c2)=O,0.0
52545,CO-ADD:0247702,1.21,C(/O)(\c1ccc(cc1)Br)=C/C=N/c(cc2)ccc2Br,0.0
52546,CO-ADD:0252552,1.21,C1(C(=O)Nc(cccc2[N+](=O)[O-])c2)C(C13)C4CC3CC4,0.0
52547,CO-ADD:0254512,1.21,n(c(c1)c2ccc1C(=O)N(CC3)CCN3C(OCC)=O)c(c4ccccc4)c(n2)c5ccccc5,0.0
52548,CO-ADD:0249790,1.21,c(\C=N\NC(=O)c1cccc(OC)c1)(cc(I)cc2I)c2O,0.0
52549,CO-ADD:0249743,1.21,c12c(ccc(cccc3)c13)C(CC(=O)N2)c4ccccc4,0.0
52550,CO-ADD:0248999,1.21,c1(c2ccco2)nnc(SC(c3ccccc3)c4ccccc4)o1,0.0
52551,CO-ADD:0250381,1.21,c1([nH]c(c2n1)cccc2)\C(\C#N)=C/c(c(F)ccc3[N+](=O)[O-])c3,0.0
52552,CO-ADD:0256801,1.21,n1c(c2cc(OC)cc(OC)c2)[nH]c(c3ccc(cc3)OC)c1c4ccc(cc4)OC,0.0
52553,CO-ADD:0256994,1.21,C(=O)(c1ccc(cc1)OCCCCCCCCCC)Nc(cc2)ccc2Cc(cc3)ccn3,0.0
52554,CO-ADD:0250478,1.21,C1(C(OCC=C)=O)=C(C)NC(=O)NC1c2ccc(cc2)F,0.0
52555,CO-ADD:0250056,1.21,c1(C#N)c2c(sc1\N=C\c(ccc(c3OC)OC)c3)CC(C)CC2,0.0
52556,CO-ADD:0250505,1.21,c12c(ncnc1SCC(NCCCC)=O)[nH]cn2,0.0
52557,CO-ADD:0249640,1.21,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2)ccc2OCc3ccc(cc3Cl)Cl,0.0
52558,CO-ADD:0252330,1.21,[N+](=O)([O-])c(ccc(c1C(=O)\C=C\c(cc2)ccc2OC)O)c1,0.0
52559,CO-ADD:0248937,1.21,N1(c2ccc(cc2)OCC(O)=O)C(=O)CCC1=O,0.0
52560,CO-ADD:0248846,1.21,C(=S)(Nc1cccc(c1)NC(=S)NC(CCC)=O)NC(CCC)=O,0.0
52561,CO-ADD:0249477,1.21,c12c(ccc(I)c1)oc(ccc(I)c3)c23,0.0
52562,CO-ADD:0249500,1.21,c(Nc1ccccc1)(nc(N\N=C\c(ccc(c2OC)OCc(cc3)ccc3[N+](=O)[O-])c2)nc4Nc5ccccc5)n4,0.0
52563,CO-ADD:0255183,1.21,N1C(=O)\C(\NC1=S)=C/c2ccccc2Sc(cc3)ccc3Cl,0.0
52564,CO-ADD:0252350,1.21,C(/C#N)(\C#N)=C(/C#N)\NNC(c1ccccc1)=O,0.0
52565,CO-ADD:0247408,1.21,n1c(N2CCCCC2)nc(nc1N3CCCCC3)Nc(cc4)ccc4C(C)C,0.0
52566,CO-ADD:0252989,1.21,c1(NC(CSc2oc(c3n2)cccc3)=O)sc(c(ccc4C(OCC)=O)n1)c4,0.0
52567,CO-ADD:0247537,1.21,c1(NC(CSc2ccccn2)=O)nnc(C)s1,0.0
52568,CO-ADD:0247861,1.21,N(C(=O)\C(\S1)=C\c(cc2)ccc2C)=C1N3CCC(CC3)C,0.0
52569,CO-ADD:0247387,1.21,C(C(CCCCC(=O)OCC(=O)c1ccc(cc1)Br)=O)(=C(C)NC2=O)N2,0.0
52570,CO-ADD:0254990,1.21,c1(SCC(=O)Nc(ccc(c2s3)nc3SC)c2)sc4c(ccc(c4)\N=C\c(cc5)ccc5I)n1,0.0
52571,CO-ADD:0247860,1.21,n1(CC(=O)Nc(cccc2[N+](=O)[O-])c2)nnnc1N,0.0
52572,CO-ADD:0247787,1.21,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\C(\Br)=C\c2ccccc2,0.0
52573,CO-ADD:0247772,1.21,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C(\CCC3)/C3)c1,0.0
52574,CO-ADD:0254798,1.21,C(=O)(NCc(cccn1)c1)c2ccc(c(OC)c2)OC,0.0
52575,CO-ADD:0247637,1.21,P(=S)(C(Cl)Cl)(N(C(C)C)C(C)C)C(Cl)(Cl)Cl,0.0
52576,CO-ADD:0253318,1.21,N1(C(=O)c2ccc(cc2)Cl)N=C(CC1(O)c3ccc(cc3)Br)CC,0.0
52577,CO-ADD:0255840,1.21,C1(C(OCCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)Br)=O,0.0
52578,CO-ADD:0255339,1.21,S(=O)(=O)(c1ccc(cc1)C)\C=C(/c2ccccc2)\c3ccccc3,0.0
52579,CO-ADD:0250224,1.21,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)Nc2c(OC)ccc(Cl)c2)c3c(OC)ccc(Cl)c3,0.0
52580,CO-ADD:0253910,1.2,S(=O)(=O)(c1ccc(cc1)C)N(CC(NCCSc2sc(c3n2)cccc3)=O)c4c(OC)ccc(Cl)c4,0.0
52581,CO-ADD:0249699,1.2,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)\N=C\c4c5c(cccc5)cc(cccc6)c46)n1,0.0
52582,CO-ADD:0248880,1.2,c1(Sc2ccccc2)ccc(\C=N\NC(c(cc3)ccn3)=O)o1,0.0
52583,CO-ADD:0249047,1.2,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(Br)s4,0.0
52584,CO-ADD:0255112,1.2,N(C(C(C)C)C(C)C)C(=O)\C=C\c(cc1)ccc1OC,0.0
52585,CO-ADD:0255080,1.2,c1(sccn1)NC(COc(cc2)ccc2F)=O,0.0
52586,CO-ADD:0255073,1.2,C(C(=O)OCc1ccccc1)(C2c(cc3)ccc3N(C)C)=C(C)NC(CCCC4=O)=C24,0.0
52587,CO-ADD:0303592,1.2,S(=O)(=O)(N1CCCCC1)c(ccc(c2C(=O)Nc(ccc(c34)CCC3)c4)Cl)c2,0.0
52588,CO-ADD:0304206,1.2,N1(CC(CC1=O)C(=O)Nc(ccc(c2[N+](=O)[O-])F)c2)c3cc(C)ccc3C,0.0
52589,CO-ADD:0301775,1.2,N1C(=O)\C(\SC1=N)=C\c2cc(I)cc(I)c2OCc3ccc(cc3Cl)Cl,0.0
52590,CO-ADD:0304189,1.2,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3cc(Cl)cc(Cl)c3,0.0
52591,CO-ADD:0301668,1.2,[N+](=O)([O-])c1c(Cl)ccc(C(=O)c(ccc(c2C3=O)C(O3)=O)c2)c1,0.0
52592,CO-ADD:0303991,1.2,N1(c2ccc(cc2)OC)CC(CC1=O)C(NCCCOC)=O,0.0
52593,CO-ADD:0301808,1.2,C1(C(OC)=O)=C(C)NC(=O)CC1c2ccc(c(Br)c2)F,0.0
52594,CO-ADD:0302176,1.2,C(=O)(Oc1ccc(cc1OC)C=O)c2cccs2,0.0
52595,CO-ADD:0303974,1.2,N1(c(cc2)ccc2C(C)CC)CC(CC1=O)C(=O)Nc(cc3)ccc3OC,0.0
52596,CO-ADD:0303044,1.2,c1(c(ccc(c1)[N+](=O)[O-])Sc(cc2)c3c([n+]2[O-])cccc3)[N+](=O)[O-],0.0
52597,CO-ADD:0302817,1.2,n1(cnnn1)c(c2)cc3c(cccc3)n2,0.0
52598,CO-ADD:0303727,1.2,c1(sc(cn1)CN(CC2)CCC2c3ccccc3)NC(C)=O,0.0
52599,CO-ADD:0301932,1.2,c(C(OCC)=O)(c(C)n(n1)c2ccc(cc2)Br)n1,0.0
52600,CO-ADD:0303312,1.2,C(C#N)(C(c1ccc(cc1)Cl)CC(N2)=O)=C2SCc3cccc(cccc4)c34,0.0
52601,CO-ADD:0302802,1.2,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(O)=O)n2)Cc(cc3)ccc3C(C)(C)C,0.0
52602,CO-ADD:0305323,1.2,N1(c(cc2)ccc2C(C)C)CC(CC1=O)C(=O)Nc3ccc(cc3Cl)Cl,0.0
52603,CO-ADD:0305332,1.2,c1(nc(C)cc(SC)n1)N(C)C(C)=O,0.0
52604,CO-ADD:0304653,1.2,c1(SCC(=O)Nc(cc2)ccc2C)sc(c3n1)cccc3,0.0
52605,CO-ADD:0304838,1.2,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Br)=C(O)C(N2CN(CC4)CCO4)=O,0.0
52606,CO-ADD:0302683,1.2,C1(Sc(c2N1)cccc2)(N(c3cccc(Cl)c3)N=C4C(OCC)=O)S4,0.0
52607,CO-ADD:0302918,1.2,N1(c2ccccc2)C(c(cc3)ccc3N(CC4)CCO4)N(N=C1C(C)=O)c5ccccc5,0.0
52608,CO-ADD:0302836,1.2,N1(c2cc(Cl)cc(Cl)c2)C(=O)CC(N(CC3)CCN3c4ccc(cc4)OC)C1=O,0.0
52609,CO-ADD:0300967,1.2,C(=O)(Nc(cc1C)cc(c1OCC(=O)N(CC2)CCO2)C)c(cc3OC)cc(c3OC)OC,0.0
52610,CO-ADD:0300983,1.2,c1(C(OC)=O)cc2c(ccc(Br)c2)o1,0.0
52611,CO-ADD:0300663,1.2,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc5OCC)cc(c5OC)Br)cccc4,0.0
52612,CO-ADD:0300791,1.2,C1(C(=O)OC(C)C)=C(C)NC(=O)CC1c2ccccc2Cl,0.0
52613,CO-ADD:0304218,1.2,N(CN1CCCc(cccc2)c12)(N=C(N3c4ccccc4)c5ccc(cc5)C)C3=S,0.0
52614,CO-ADD:0301724,1.2,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(ccc(c3OCC)OCCOc(cc4)ccc4C(C)(C)C)c3)\C1=O)=O,0.0
52615,CO-ADD:0301633,1.2,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccc(c(F)c5)F)cccc4,0.0
52616,CO-ADD:0304290,1.2,c12c(c(ccc1N(CC3)CCO3)N=Nc(cc4)ccc4O)C(c(cccc5)c5C2=O)=O,0.0
52617,CO-ADD:0302490,1.2,[SiH](Sc1ccccc1C)(c2c(C)cc(cc2C)C)c3c(C)cc(cc3C)C,0.0
52618,CO-ADD:0304305,1.2,C(C(NCCCCCCNC(=O)Cc1cccs1)=O)c2cccs2,0.0
52619,CO-ADD:0304012,1.2,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(CC)s5)cccc4,0.0
52620,CO-ADD:0302029,1.2,c1(cc(C)nc(cccc2)c12)N(CC3)CCN3,0.0
52621,CO-ADD:0303682,1.2,c1(c(cccc2[N+](=O)[O-])c2)nncn1C,0.0
52622,CO-ADD:0302050,1.2,C1(=NC2=O)C(=Cc(cccc3)c3N1c4ccc(cc4)Cl)C(N2CCCC)=O,0.0
52623,CO-ADD:0301869,1.2,c1(NC(=O)c2ccc(cc2Cl)Cl)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
52624,CO-ADD:0302961,1.2,c1(c2ccco2)nnc(SCC(=O)NCC(c3ccccc3)=O)o1,0.0
52625,CO-ADD:0304020,1.2,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccccc4)n1c5c(C)cc(c(C(C)C)c5)O,0.0
52626,CO-ADD:0301805,1.2,C1(CC(=O)Nc(ccc(cccc2)c23)c13)c4ccccc4C(F)(F)F,0.0
52627,CO-ADD:0307305,1.2,N1(N=C(\C(=C(\C)/Nc(cc2)ccc2C(OCC)=O)\C1=O)c3ccccc3)c4sc(c5n4)cccc5,0.0
52628,CO-ADD:0304614,1.2,c1(SCC(=O)Nc(cc2)ccc2[N+](=O)[O-])sc(c3n1)ccc(Cl)c3,0.0
52629,CO-ADD:0305117,1.2,c(c(O)[nH]n1)c1c(cc2)ccn2,0.0
52630,CO-ADD:0305364,1.2,N1(CNc(cc2)ccc2Br)C(=O)C3C(C(CC34)C=C4)C1=O,0.0
52631,CO-ADD:0302508,1.2,N1C(=O)\C(\SC1=O)=C/c(cc2Br)cc(c2OC)Br,0.0
52632,CO-ADD:0302717,1.2,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N(CC2)CCN2C(=O)c3ccco3,0.0
52633,CO-ADD:0301660,1.2,C(=C/c(cc(n1C)C)c1C)(/C(=O)NC(N2)=O)\C2=O,0.0
52634,CO-ADD:0304474,1.2,c1(nnn2)n2c3c(cccc3)nc1N=NN=P(N(CC)CC)(N(CC)CC)N(CC)CC,0.0
52635,CO-ADD:0300464,1.19,c1(c(ccc(Br)c1)nc(c2CCC(O)=O)C)c2O,0.0
52636,CO-ADD:0304163,1.19,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(NC1c(ccc(c3OCc4ccccc4)OC)c3)=O,0.0
52637,CO-ADD:0304223,1.19,N1(c(ccc(c2O3)OC3(F)F)c2)C(C)=Nc(c4C1=O)cccc4,0.0
52638,CO-ADD:0303566,1.19,N(c1c(C)cccc1C)(C(c2ccccc2)=O)C(=O)C(c3ccccc3)N(CC4)CCO4,0.0
52639,CO-ADD:0302682,1.19,S1(=O)(=O)c(cccc2)c2C(=NN3C(=O)c4ccc(cc4)Br)N1C3N(CC)CC,0.0
52640,CO-ADD:0302702,1.19,c1(C(NCCc2ccccc2)=O)c3c(sc1\N=C\C=C\c4ccccc4)CCCC3,0.0
52641,CO-ADD:0304071,1.19,N12C(S\C(=C/c3ccco3)\C1=O)=NCN(c(cc4)ccc4C(C)=O)C2,0.0
52642,CO-ADD:0302023,1.19,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCN2C(=O)c3ccc(cc3)F,0.0
52643,CO-ADD:0301396,1.19,C1(OC(c2ccccc2)=O)=C(C)C(OC(c3ccccc3)C1(C)C)=O,0.0
52644,CO-ADD:0301562,1.19,n1(c(C(O)=O)c(nn1)C)c2nonc2N,0.0
52645,CO-ADD:0303251,1.19,c1(c2c(sc1NC(C)=O)CCCC2)C(=O)Nc3ccccc3OCC,0.0
52646,CO-ADD:0301684,1.19,c1(c2c(sc1NC(=O)c3ccc(cc3)Br)CCCCC2)C(=O)Nc4ccccc4OCC,0.0
52647,CO-ADD:0302980,1.19,n12c(S\C(=C/c(cc3)ccc3C(OC)=O)\C1=O)nnc2c4ccccc4,0.0
52648,CO-ADD:0303252,1.19,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCC2)C(=O)Nc4ccccc4OCC,0.0
52649,CO-ADD:0302584,1.19,s1c(c2ccc(cc2)C)nnc1NC(C)=O,0.0
52650,CO-ADD:0302546,1.19,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=S)=C\c(ccc(c3OC)OCc(cc4)ccc4Br)c3,0.0
52651,CO-ADD:0307278,1.19,C(=N/N=C(\C1)/C=C(CC1(C)C)O)(/N2)\c3c(CC2(C)C)cc(OC)c(OC)c3,0.0
52652,CO-ADD:0311818,1.19,C(C(OC)=O)(NC(CC)=O)(C(F)(F)F)Nc1sc(c2c1C#N)CC(CC2)C,0.0
52653,CO-ADD:0305189,1.19,N1c2c(cccc2N)NC(=O)C1=O,0.0
52654,CO-ADD:0305245,1.19,N1(c2ccccc2)C(c3ccc(cc3)OC)Nc4c(cc(c5n4)cccc5)C1=O,0.0
52655,CO-ADD:0301459,1.19,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2ccccc2C,0.0
52656,CO-ADD:0302486,1.19,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(cc4)ccc4C(F)(F)F,0.0
52657,CO-ADD:0301498,1.19,c1(nonc1N)\C(\N)=N\N=C\c(cc2OC)cc(c2OC)OC,0.0
52658,CO-ADD:0300528,1.19,N1(C(C)C(=O)NCc(cc2)ccc2C(C)C)C(=O)c3c(cccc3)C1=O,0.0
52659,CO-ADD:0300672,1.19,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(=O)OC5CCCCC5,0.0
52660,CO-ADD:0301168,1.19,c1(Oc(cccn2)c2)cc(C#N)c(cc1Oc(cccn3)c3)C#N,0.0
52661,CO-ADD:0304662,1.19,N1(c2ccc(cc2)OC(C)C)CC(CC1=O)C(=O)Nc3cccc(Cl)c3Cl,0.0
52662,CO-ADD:0300376,1.19,C(=O)(c(ccc(c12)OCO1)c2)N(CC3)CCC3C(N)=O,0.0
52663,CO-ADD:0300424,1.19,N1(c2cc(Cl)cc(Cl)c2)C(=O)C(CC1=O)NNC(c3ccccc3)=O,0.0
52664,CO-ADD:0304210,1.19,C(=O)(NC(C)c1ccccc1)C(=O)Nc(ccc(c2C)Br)c2,0.0
52665,CO-ADD:0302099,1.19,N1(CCCO)C(=O)c(c(c2)C1=O)cc(c2C(N3CCCO)=O)C3=O,0.0
52666,CO-ADD:0301732,1.19,C(=C\c(cc1OC)cc(c1OCCOc(ccc(c2C)C)c2)Br)(/C(=O)NC(N3)=O)\C3=O,0.0
52667,CO-ADD:0301999,1.19,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C\c(cc(OC)c(c4)OCc5ccccc5)c4Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
52668,CO-ADD:0303829,1.19,S(NCCNc1ccc(cc1C(F)(F)F)[N+](=O)[O-])(=O)(=O)c2ccc(cc2)Cl,0.0
52669,CO-ADD:0303807,1.19,c1(cc(ccc1N(CC2)CCN2C(=O)c3ccccc3Cl)[N+](=O)[O-])C(F)(F)F,0.0
52670,CO-ADD:0303510,1.19,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5cc(OC)c(cc5OC)Br)cccc4,0.0
52671,CO-ADD:0303792,1.19,C(C(=O)c1ccc(cc1)OC)(C2c3ccccc3)=C(O)C(N2CCN(C)C)=O,0.0
52672,CO-ADD:0302879,1.19,[N+](=O)([O-])c1ccc(cc1C)C(=O)Nc2ccc(cc2C(O)=O)I,0.0
52673,CO-ADD:0304444,1.19,C(=O)(NC1CCCCC1)N(C2CCCCC2)C(=O)c(ccc3c4c5c([nH]3)CCCC5)c4,0.0
52674,CO-ADD:0305357,1.19,N(CC1)(CCO1)CCC(=O)c2ccc(cc2)OC(C)C.Cl,0.0
52675,CO-ADD:0305342,1.19,C1(\C=C(\c(cccc2)c2N3CC)/C3=O)=Nc(cccc4)c4C(=O)N1C,0.0
52676,CO-ADD:0300430,1.19,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(N(CCN(CC3)CCO3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
52677,CO-ADD:0300415,1.19,c1(SCC(=O)Nc(cc2)ccc2\C=C/c3ccccc3)sc(c4n1)cccc4,0.0
52678,CO-ADD:0300448,1.19,N1(c(cccc2C(F)(F)F)c2)C(=O)C(N(CCc(ccc(c3OC)OC)c3)C1=S)CC(N)=O,0.0
52679,CO-ADD:0301690,1.19,C1(C(O)CCN2)C2CCCC1.Cl,0.0
52680,CO-ADD:0304028,1.19,C1(c2cccs2)=N\C(\C(=O)O1)=C\c(cc3)cc(c3OC(c4ccccc4)=O)OC,0.0
52681,CO-ADD:0304126,1.19,[n+]1([O-])onc(C)c1COc(cc2)ccc2\C=C(/C3=O)\N=C(O3)c4ccccc4,0.0
52682,CO-ADD:0301359,1.19,C(=C\c1cccn1c(cc2)ccc2[N+](=O)[O-])(/C(=O)N3CC)\C(=O)N(C3=S)CC,0.0
52683,CO-ADD:0303120,1.19,C(C(OCC)=O)(C(F)(F)F)(Nc1sc(c(CC)c1C#N)C)NC(=O)N(C)C,0.0
52684,CO-ADD:0302577,1.19,c(C(OCC)=O)(c(C)c(c1Cc(c(CC)c(c2C(OCC)=O)C)[nH]2)CC)[nH]1,0.0
52685,CO-ADD:0303780,1.19,c1(C#N)c(C(CCC=C2)C2)c3c(nc1SCc4ccccc4)CCC3,0.0
52686,CO-ADD:0303197,1.19,N1(C(=O)c2c(C(c3ccccc3)=N1)cccc2)c4cc(ccc4N(CC5)CCN5CCO)[N+](=O)[O-],0.0
52687,CO-ADD:0302087,1.18,N1(c(cc2)ccc2C(OCC)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc(cc4C(O)=O)C(O)=O)c4,0.0
52688,CO-ADD:0301941,1.18,N1(c2cccc(c2)[N+](=O)[O-])CC(CC1=O)C(=O)Nc3c(C)cccc3C,0.0
52689,CO-ADD:0303289,1.18,c1(C(NCCNc2c(cccc2[N+](=O)[O-])Cl)=O)c(C)oc(C(C)(C)C)c1,0.0
52690,CO-ADD:0304492,1.18,n1c(CC(C)C)c(C)c(c(N)c1C#N)c2ccccc2,0.0
52691,CO-ADD:0304463,1.18,c1(C(NCCc2ccccc2)=O)nnn(Cc(cc3)ccc3Cl)c1N,0.0
52692,CO-ADD:0304631,1.18,c1(c(cc2)ccc2N(C)C)sc(c3n1)cccc3,0.0
52693,CO-ADD:0304719,1.18,C(/C(=O)c(cc1)ccc1[N+](=O)[O-])(\[n+]2ccccc2)=C(/[S-])\Nc(cccc3c4nnc(S)o4)c3,0.0
52694,CO-ADD:0301527,1.18,c1([nH]c(n2)C)c2ccc(nsn3)c13,0.0
52695,CO-ADD:0301405,1.18,c1(CC(NCCO)=O)c(Sc2ccccc2)c3c(cccc3)n1Cc4ccccc4,0.0
52696,CO-ADD:0302434,1.18,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)N(CC4)CCN4C(c5ccccc5)=O)cccc3,0.0
52697,CO-ADD:0302360,1.18,S1(=O)(=O)c(cccc2)c2C(Nc3nnc(CC)s3)=N1,0.0
52698,CO-ADD:0301612,1.18,N1(c2ccc(cc2)Br)C(=O)NC(\C(=C/c(c3c([nH]4)cccc3)c4)\C1=O)=O,0.0
52699,CO-ADD:0303247,1.18,c1(c2c(sc1NC(Cc(cc3)ccc3OC)=O)CCC2)C(=O)Nc4ccccc4OCC,0.0
52700,CO-ADD:0303157,1.18,C(=C/c(ccc(c1OC)OCCSCC(OCC)=O)c1)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
52701,CO-ADD:0301468,1.18,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
52702,CO-ADD:0303265,1.18,[N+](=O)([O-])c1cccc(Cl)c1N(CC2)CCN2C(=O)c3ccc(cc3)Cl,0.0
52703,CO-ADD:0303234,1.18,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)CC1c3ccccc3Br,0.0
52704,CO-ADD:0300379,1.18,N(CN1CCCCC1)(C2=O)C3C(N2C)N(C(=O)N3CN4CCCCC4)C,0.0
52705,CO-ADD:0305197,1.18,c12c(cccc1)ncnc2SCCOc(cc3)ccc3Cl,0.0
52706,CO-ADD:0304846,1.18,c1(C#N)c(SCC(=O)Nc2ccccc2OC)nc(cc1C(F)(F)F)c3cccs3,0.0
52707,CO-ADD:0305338,1.18,N1(C)C(\C=C\c(c(cccc2)c2n3C)c3)=Nc(c4C1=O)cccc4,0.0
52708,CO-ADD:0304810,1.18,N1(c(cccc2C(F)(F)F)c2)C(=O)C(N(CCc(ccc(c3OC)OC)c3)C1=S)CC(=O)Nc(cc4)ccc4C(OCC)=O,0.0
52709,CO-ADD:0305011,1.18,n(cnn1)(nc(s2)c3ccccc3)c12,0.0
52710,CO-ADD:0305019,1.18,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3ccccc3CC)C2c4ccco4,0.0
52711,CO-ADD:0305203,1.18,S(=O)(=O)(c1ccc(cc1)OC)N2CCC(CC2)C(O)=O,0.0
52712,CO-ADD:0304763,1.18,c1(C(O)=O)cc(c(ccc2c3ccccc3Cl)o2)nc(ccc(cccc4)c45)c15,0.0
52713,CO-ADD:0301810,1.18,C1(CC(=O)Nc(ccc(cccc2)c23)c13)c4ccc(c(OC)c4OC)OC,0.0
52714,CO-ADD:0303846,1.18,C(=O)(NC(C)c1ccccc1)C(=O)Nc(cc2)ccc2C(C)(C)C,0.0
52715,CO-ADD:0301872,1.18,C12=C(CC(C)(C)CC1=O)Nc(ccc(cccc3)c34)c4C2c5ccccc5F,0.0
52716,CO-ADD:0301336,1.18,c12n(cc(c3ccc(cc3)F)n1)nc(CC)s2.Br,0.0
52717,CO-ADD:0301477,1.18,c1(C2c3ccc(cc3)C)c(CC(C(O)=O)N2)c4c(cccc4)[nH]1,0.0
52718,CO-ADD:0303597,1.18,N1(c2ccccc2)C(=O)C(CC)C(N=C1SCC(=O)Nc(cc3)ccc3C)=O,0.0
52719,CO-ADD:0301657,1.18,C(N)(=O)NCc1ccco1,0.0
52720,CO-ADD:0301651,1.18,c1(C#N)c(C(CCC=C2)C2)c3c(nc1SCC(OC)=O)CCC3,0.0
52721,CO-ADD:0304393,1.18,c1(OC(N)=C(C2c3ccc(c(OC)c3OC)OC)C#N)c2c(n[nH]1)C,0.0
52722,CO-ADD:0303186,1.18,C1(=COc(c2C1=O)cccc2)C3C4=C(CCCC4=O)NC(C)=C3C(OCCOC(C)C)=O,0.0
52723,CO-ADD:0304829,1.18,N(CC(COc1ccccc1)OC2c3ccco3)(C(c4ccccc4)=O)O2,0.0
52724,CO-ADD:0304563,1.18,C(C(OCC)=O)(C1c2cccc(F)c2)=C(C)N(C(C)=C1C(OCC)=O)C,0.0
52725,CO-ADD:0304748,1.18,n1(c2ccc(c(N)c2)C)cnnn1,0.0
52726,CO-ADD:0301332,1.18,n1(c2ccc(c3c2)OCO3)nnnc1SCC(=O)Nc(ccc(c4F)F)c4,0.0
52727,CO-ADD:0302069,1.18,c1(cc(Br)ccc1NC(=O)c2cccc(OCC)c2)C(O)=O,0.0
52728,CO-ADD:0304112,1.18,C(=C/c(ccc1c(ccc(c2C(O)=O)Cl)c2)o1)(/C(C)=NN3c4cccc(c4)C(O)=O)\C3=O,0.0
52729,CO-ADD:0301842,1.18,c1(NC(CCl)=O)nonc1N=[N+]=[N-],0.0
52730,CO-ADD:0301915,1.18,c1(NC(Cc(cc2)ccc2OC)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3,0.0
52731,CO-ADD:0302811,1.17,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc(c4OC)OCC(N)=O)c4)\C1=O,0.0
52732,CO-ADD:0301929,1.17,C(=O)(c1ccc(cc1)N)c2ccc(cc2)Br,0.0
52733,CO-ADD:0303259,1.17,C(=O)(Oc(cc1)ccc1C=O)c2ccco2,0.0
52734,CO-ADD:0304386,1.17,C1(C(F)(F)F)(C(F)(F)F)NC(=O)N2C(Sc(c23)ccc(OCC)c3)=N1,0.0
52735,CO-ADD:0303981,1.17,N1(c2ccc(cc2)OCC)CC(CC1=O)C(=O)Nc3cc(C)ccn3,0.0
52736,CO-ADD:0303713,1.17,n1c(O)cc(nc1SCc2c(cccc2Cl)Cl)C,0.0
52737,CO-ADD:0303902,1.17,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c(cccc5C(F)(F)F)c5)cccc4,0.0
52738,CO-ADD:0301797,1.17,C(c1ccccc1)(=O)OC(CC2(C)C)CC(N2)(C)C,0.0
52739,CO-ADD:0300381,1.17,[N+](=O)([O-])c(cc1)ccc1C2OCOCC2O,0.0
52740,CO-ADD:0304863,1.17,c12c(n(c(N\N=C\C=C(/Br)\c3ccccc3)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
52741,CO-ADD:0304972,1.17,[N+](=O)([O-])c1ccc(cc1)COC(CSc(cc2)ccn2)=O,0.0
52742,CO-ADD:0304461,1.17,c1(C(=O)Nc(cc2)ccc2Oc3ccccc3)nnn(Cc4ccccc4)c1N,0.0
52743,CO-ADD:0300590,1.17,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(cc5)OC(F)(F)F)cccc4,0.0
52744,CO-ADD:0305113,1.17,N1C(=O)NC(C(Br)=C1NCCCO)=O,0.0
52745,CO-ADD:0304689,1.17,C1(C#N)=C(COCC)C=C(NC1=O)C,0.0
52746,CO-ADD:0302846,1.17,N1c(ccc(c2)C(OCC)=O)c2C3C(CC=C3)C1c(cccc4[N+](=O)[O-])c4,0.0
52747,CO-ADD:0303793,1.17,C1(C(OC)=O)(C(OC)=O)C(C1(CC)C(c2ccccc2)=O)c(cc3)ccc3[N+](=O)[O-],0.0
52748,CO-ADD:0303759,1.17,c1(NC(=O)\C(\C#N)=C/c2ccccc2F)sc(c3c1C(OCC)=O)CCCC3,0.0
52749,CO-ADD:0302878,1.17,c1(c2cc(OC)c(OC)c1)C(=O)OC(c3cccc(Br)c3)=N2,0.0
52750,CO-ADD:0302479,1.17,n1(C(=O)\C(\S2)=N\Nc(cc3)ccc3Br)c2nc(c4ccccc4)c1c5ccccc5,0.0
52751,CO-ADD:0302901,1.17,C12=C(c3c(cccc3)OC1=O)C=C(c4ccc(cc4)OC)NC2=O,0.0
52752,CO-ADD:0302119,1.17,N1(c2cccc(c2)C(O)=O)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
52753,CO-ADD:0301556,1.17,S(=O)(=O)(c1ccc(cc1)F)Nc(cc2)cc(c23)CCN3S(C)(=O)=O,0.0
52754,CO-ADD:0304510,1.17,S1(=O)(=O)c2c(C(=O)N1Cc3ccccc3)ccc(c2)[N+](=O)[O-],0.0
52755,CO-ADD:0304550,1.17,c1(N(CC2)CCN2c3ccc(cc3)OC)nc(Cl)nc(Nc(cc4)ccc4F)n1,0.0
52756,CO-ADD:0304566,1.17,C(C(OCC)=O)(C1c2ccccc2F)=C(C)N(C(C)=C1C(OCC)=O)C,0.0
52757,CO-ADD:0305023,1.17,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(C)c3C)C2c4ccco4,0.0
52758,CO-ADD:0305321,1.17,C1(=S)Nc(c2S1)ccc(c2)NC(=O)c3ccccc3F,0.0
52759,CO-ADD:0304840,1.17,C(C(OC)=O)(=C1C)\C(=C\c2cccs2)\C(N1c3cccc(C)c3)=O,0.0
52760,CO-ADD:0305163,1.17,c12c(cc(C)c(C)c1)NC(CC2c3cccc(Cl)c3Cl)=O,0.0
52761,CO-ADD:0304517,1.17,c(C#N)(c1c2ccccc2)c(SCC(=O)c3ccc(c4c3)cccc4)nc(N)c1C#N,0.0
52762,CO-ADD:0301146,1.17,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccccc5OCc6ccccc6)cccc4,0.0
52763,CO-ADD:0300674,1.17,c1(NC(COc2ccccc2C)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccc(cc3C)C,0.0
52764,CO-ADD:0305169,1.17,C(C(OC)=O)(=CN(CC)C=C1C(OC)=O)C1c2cccc(C)c2,0.0
52765,CO-ADD:0300567,1.17,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2C(=O)N3CCCCC3)c1)N4CCCCC4,0.0
52766,CO-ADD:0300472,1.17,c12c(cc(OC)c(OC)c1)N=C(OC2=O)\C=C\c(cc3)ccc3[N+](=O)[O-],0.0
52767,CO-ADD:0302006,1.17,C1(OC(C)=O)=C(C)C(OC(c2ccc(cc2)Br)C1(C)C)=O,0.0
52768,CO-ADD:0302929,1.17,c1(ccc(cc1Cl)NCc(cccn2)c2)N(CC3)CCO3,0.0
52769,CO-ADD:0303541,1.17,C1(=C(C)NC(=C2C1c(cc3OC)cc(c3OC)OC)CCCC2=O)C(=O)Nc4ccccc4C,0.0
52770,CO-ADD:0303012,1.17,c1(C(OCC)=O)c(N)scc1c2ccc(cc2)F,0.0
52771,CO-ADD:0302168,1.17,S(=O)(=O)(N1CCC(CC1)C)c2c(C)ccc(c2)C(=O)Oc(ccc(c34)OCO3)c4,0.0
52772,CO-ADD:0303111,1.17,N1\C(=N/CC=C)\SC(CC(=O)Nc2ccccc2[N+](=O)[O-])C1=O,0.0
52773,CO-ADD:0304310,1.17,N12C(S\C(=C/c(cccn3)c3)\C1=O)=NCN(c(cc4)ccc4C(OCC)=O)C2,0.0
52774,CO-ADD:0302532,1.17,c1(cc(C#N)c(cc1Nc(cc2)ccc2Cc(cc3)ccn3)C#N)[N+](=O)[O-],0.0
52775,CO-ADD:0300971,1.17,C(=O)(Nc(cccn1)c1)c2ccccc2O,0.0
52776,CO-ADD:0300539,1.17,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4)cc(c4OC(=O)C5CC5)OCC)cc(c(C)c3)C,0.0
52777,CO-ADD:0300476,1.17,N1(C(=O)\C(\SC1=N)=C\c(ccc(c2OCC)OCC(N)=O)c2)c3nonc3N,0.0
52778,CO-ADD:0300626,1.16,C1(C(OCCSCC)=O)=C(C)NC(=C2C1c3cc(Br)ccc3OC)CCCC2=O,0.0
52779,CO-ADD:0301152,1.16,C(F)(F)(C(F)(F)C(F)(F)C(=O)\C=C(/C)\NNC(=O)c1ccc(cc1)F)C(F)(F)C(F)(F)C(F)(F)F,0.0
52780,CO-ADD:0300704,1.16,S(=O)(=O)(c(cc1)ccc1C2CCCCC2)Nc(cccn3)c3,0.0
52781,CO-ADD:0301216,1.16,C(=O)(N1CCC(CC1)C(N)=O)c2ccccc2NC(=O)c3ccccc3Br,0.0
52782,CO-ADD:0303744,1.16,C(=C/c(cc1)ccc1O)(/C(=O)NC(N2C)=O)\C2=O,0.0
52783,CO-ADD:0303935,1.16,C(C(OCC)=O)(=CN(c1ccc(cc1)F)C=C2C(OCC)=O)C2c3cccc(F)c3,0.0
52784,CO-ADD:0303496,1.16,n1(c2c(C)cccc2C)nnnc1C3(CCCCC3)Nc(cc4)ccc4C(OCCN(CC)CC)=O,0.0
52785,CO-ADD:0302599,1.16,N1(c2cccc(O)c2)C(=O)C(C(C(c(c34)cccc3)c(c56)cccc5)C1=O)C46,0.0
52786,CO-ADD:0303614,1.16,C(=C\c(ccc(c1[N+](=O)[O-])N2CCc(c3C2)cccc3)c1)(/C4=O)\C(=O)NC(=S)N4,0.0
52787,CO-ADD:0303203,1.16,C1(CC(=O)Nc(ccc(C)c2)c12)c3ccc(cc3Cl)Cl,0.0
52788,CO-ADD:0302995,1.16,N1(Cc(cc2)ccc2F)C(=O)\C(=C\Nc3ccccc3OC)\C(NC1=O)=O,0.0
52789,CO-ADD:0303608,1.16,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc2cccc(OC(C)C)c2,0.0
52790,CO-ADD:0303986,1.16,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)Nc(cc3)ccc3CC,0.0
52791,CO-ADD:0304195,1.16,C(=O)(C(=O)NCc1cccc(C)c1)Nc2ccccc2C,0.0
52792,CO-ADD:0301917,1.16,C1(=O)N(C)C(=O)C=C(Nc(cc2)ccc2OCC)N1C,0.0
52793,CO-ADD:0305001,1.16,C(=O)(Nc(ccc(c1C(F)(F)F)Cl)c1)c2c(cccc2OC)OC,0.0
52794,CO-ADD:0300461,1.16,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)OCC3COc(c4O3)cccc4,0.0
52795,CO-ADD:0300870,1.16,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C,0.0
52796,CO-ADD:0305182,1.16,c1(C(c2ccc(cc2)F)CC(N3)=O)c3cc(C)c(C)c1,0.0
52797,CO-ADD:0300981,1.16,n1(c2cc(C)ccc2OCC(O)=O)nc(c3n1)cccc3,0.0
52798,CO-ADD:0300277,1.16,N1(c2ccc(cc2)OC)C(=O)\C(=C\c(ccc(c3OC)OC)c3OC)\C(NC1=S)=O,0.0
52799,CO-ADD:0300733,1.16,C(/SC(=N1)C)(\N1CC(=O)Nc(cc2)ccc2F)=N\S(=O)(=O)c3ccc(cc3)C,0.0
52800,CO-ADD:0301006,1.16,c1(c2c3cccc2)c(c(n(CC(OC)=O)n1)ccc4)c4C3=O,0.0
52801,CO-ADD:0300795,1.16,C1(C(=O)OC(C)C)=C(C)NC(=O)CC1c2ccccc2F,0.0
52802,CO-ADD:0305102,1.16,c1(C(N)=O)n(O)cc[n+]1[O-],0.0
52803,CO-ADD:0300604,1.16,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2cccc(Oc3ccccc3)c2,0.0
52804,CO-ADD:0304603,1.16,c1(OCc(cc2)ccc2I)c(OC)cc(cc1I)C=O,0.0
52805,CO-ADD:0300913,1.16,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2Cl)N(CC3)CCN3C(=O)c4ccc(cc4)C,0.0
52806,CO-ADD:0301017,1.16,c1(OCc2ccccc2)c(OC)cc(cc1Br)C=O,0.0
52807,CO-ADD:0303795,1.16,N1(C(C)(C)CC(C)=N1)C(=O)Cc2ccccc2,0.0
52808,CO-ADD:0302562,1.16,C(=C\c(cc1OC)cc(c1O)Br)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
52809,CO-ADD:0303797,1.16,N1(C(C#N)c2ccc(c(OC)c2)O)C(c3ccccc3)CC(c4ccccc4)=N1,0.0
52810,CO-ADD:0302899,1.16,c1(sc(c2n1)cccc2)\C(\C#N)=C\c(cc3)ccc3C#N,0.0
52811,CO-ADD:0303182,1.16,C(C(OCCc1ccccc1)=O)(C(c(cccc2C(F)(F)F)c2)N3)=C(C)N(C3=O)C,0.0
52812,CO-ADD:0301611,1.16,N1(c2ccccc2)C(=O)NC(\C(=C/c(cc3)ccc3C(O)=O)\C1=O)=O,0.0
52813,CO-ADD:0303571,1.16,C(=C\c(cc1OC)cc(c1O)Br)(/C(=O)NC(N2C)=O)\C2=O,0.0
52814,CO-ADD:0301600,1.16,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(c(OC)c3)OC)C2c(cc4OC)cc(c4OC)OC,0.0
52815,CO-ADD:0303202,1.16,C(C(OC)=O)(C1c2cccc(C)c2)=C(C)N(C(C)=C1C(OC)=O)C,0.0
52816,CO-ADD:0302183,1.16,c1(N(CC2)CCN2c3nc(Nc(cccc4[N+](=O)[O-])c4)nc(OC(C(F)(F)F)C(F)(F)F)n3)nc(OC(C(F)(F)F)C(F)(F)F)nc(Nc5ccccn5)n1,0.0
52817,CO-ADD:0303551,1.16,N1(c2ccc(c(Cl)c2)C)CC(CC1=O)C(NCCCCCC)=O,0.0
52818,CO-ADD:0302578,1.16,c1(C(O)=O)c(C)c(c(C)[nH]1)C=O,0.0
52819,CO-ADD:0303917,1.16,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CCCC4=O)NC(C)=C3C(OCCSCC)=O,0.0
52820,CO-ADD:0301123,1.16,N(CC1)(CCO1)c2ccc(cc2)NCc(ccc(c3OC)OCc4ccc(cc4Cl)Cl)c3,0.0
52821,CO-ADD:0305098,1.16,[n+]1(ccccc1N)[O-],0.0
52822,CO-ADD:0301062,1.16,C(N)(=O)c1ccc(cc1)CC,0.0
52823,CO-ADD:0301047,1.16,c1(\C(\c(cc2)ccc2[N+](=O)[O-])=C\c(cc3)ccc3N(C)C)nnc(\N=C\c(cc4)ccc4N(C)C)s1,0.0
52825,CO-ADD:0305119,1.16,c1(c2cccc(cccc3)c23)n[nH]c(O)c1,0.0
52826,CO-ADD:0305159,1.16,C1(=COc(c2C1=O)cccc2)C3C4=C(CCCC4=O)NC(C)=C3C(=O)OCc5ccccc5,0.0
52827,CO-ADD:0300314,1.16,N1(c2ccccc2Cl)CC(CC1=O)C(=O)Nc(cc3)ccc3NC(C)=O,0.0
52828,CO-ADD:0300331,1.16,N1(c(cc2)ccc2N(C)C)CC(CC1=O)C(O)=O,0.0
52829,CO-ADD:0300355,1.15,c12c(C(N(C)C(=O)N1C)=O)n(c(Cl)n2)CC(OCC)=O,0.0
52830,CO-ADD:0301036,1.15,[N+](=O)([O-])c1ccccc1NC(CSc2sc(c3n2)cccc3)=O,0.0
52831,CO-ADD:0300349,1.15,c1(ccc(cc1OC)SC)C(=O)Nc(cccc2C(C)=O)c2,0.0
52832,CO-ADD:0303276,1.15,c1(SCC(=O)Nc2ccccc2OC(C)C)n(C)c3c(cccc3)n1,0.0
52833,CO-ADD:0303268,1.15,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccc(cc2)Br)N(CC3)CCN3CCO,0.0
52834,CO-ADD:0303788,1.15,C(=O)(c1ccc(cc1Cl)Cl)NC(=S)Nc2c(Cl)ccc(Cl)c2,0.0
52835,CO-ADD:0303021,1.15,C(=O)(c1ccc(cc1)F)Nc(cc2)ccc2OCCNC(=O)c3ccc(cc3)F,0.0
52836,CO-ADD:0301755,1.15,N(C(=O)C(=C1C(OC)=O)C(=O)C(C)(C)C)(C2(c3ccccc3)c4ccccc4)N1C(N(C(C(C(=O)C(C)(C)C)=C5C(OC)=O)=O)N25)(c6ccccc6)c7ccccc7,0.0
52837,CO-ADD:0303024,1.15,N1(CCc2ccccc2F)C(=O)c(c3C1(C)O)cccc3,0.0
52838,CO-ADD:0304375,1.15,N1(c(cc2)c(OC1=O)cc2S(=O)(=O)N3CCCCC3)C(=O)NC4CCCCC4,0.0
52839,CO-ADD:0300662,1.15,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(OCCc5ccccc5)=O,0.0
52840,CO-ADD:0301015,1.15,c1(OCCC)c(Br)cc(cc1Br)C=O,0.0
52841,CO-ADD:0300286,1.15,C(=C/c1ccc[nH]1)(/C(=O)NC(N2CC)=S)\C2=O,0.0
52842,CO-ADD:0305094,1.15,c1(cc(cc(cn2)c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],0.0
52843,CO-ADD:0304508,1.15,c1(C(=O)NCc2ccccc2)nnn(Cc3ccccc3)c1N,0.0
52844,CO-ADD:0305180,1.15,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4ccc(c(OC)c4)OCCC,0.0
52845,CO-ADD:0300581,1.15,c1(c2cc(Cl)ccc2OC)nnc(S)n1c3ccccc3,0.0
52846,CO-ADD:0300781,1.15,C(/C#N)(\C(OCCCC)=O)=C/c(ccc1c2ccc(cc2)Cl)o1,0.0
52847,CO-ADD:0300537,1.15,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5cc(F)ccc5F)cccc4,0.0
52848,CO-ADD:0300649,1.15,C1(C(=O)OC2CCCC2)=C(C)NC(=C3C1c4ccc(c(F)c4)F)CCCC3=O,0.0
52849,CO-ADD:0303790,1.15,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)Br)=C(O)C(N2CCN(C)C)=O,0.0
52850,CO-ADD:0303515,1.15,C(C(OC)=O)(=CN(Cc(cc1)ccc1OC)C=C2C(OC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
52851,CO-ADD:0302829,1.15,n1(CCc2ccccc2)c(S)nnc1c(cc3)ccn3,0.0
52852,CO-ADD:0302492,1.15,[N+](=O)([O-])\C=C\c(cc1)ccc1OC,0.0
52853,CO-ADD:0301465,1.15,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2ccccc2OC(C)C,0.0
52854,CO-ADD:0302468,1.15,c1(ccc(\C=C\C=N\Nc2sc(c3n2)cccc3)o1)[N+](=O)[O-],0.0
52855,CO-ADD:0300943,1.15,N1(c2ccc(cc2)OCC(C)C)CC(CC1=O)C(O)=O,0.0
52856,CO-ADD:0304496,1.15,c1(noc(c2c(cccc2F)F)n1)c3nonc3N,0.0
52857,CO-ADD:0304944,1.15,N1(c(ccc(c2s3)nc3SCc(c(OC)ccc4[N+](=O)[O-])c4)c2)C(=O)c(c5C1=O)ccc(c5)[N+](=O)[O-],0.0
52858,CO-ADD:0304990,1.15,C(=O)(N(CC1)CCN1C(=O)C(O)(c2ccccc2)c3ccccc3)C(O)(c4ccccc4)c5ccccc5,0.0
52859,CO-ADD:0304702,1.15,c1(nn(cn1)CO)[N+](=O)[O-],0.0
52860,CO-ADD:0304431,1.15,c1(noc(C23CC(CC4C2)CC(C4)C3)n1)c5nonc5N,0.0
52861,CO-ADD:0300613,1.15,C(C(=O)OCc(cc1)ccc1OC)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccc(C)c4,0.0
52862,CO-ADD:0304738,1.15,n1c(c2ccc(cc2)F)nnn1CC(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
52863,CO-ADD:0304513,1.15,c1(c(C)nc(c(C#N)c1c2cccc(F)c2)SCc3ccccc3)C(=O)Nc4ccccc4C,0.0
52864,CO-ADD:0303700,1.15,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc(ccc(c2O3)OC3(C)C)c2,0.0
52865,CO-ADD:0302777,1.15,c12n(cc(c3ccc(cc3)Cl)n1)nc(C)s2,0.0
52866,CO-ADD:0302471,1.15,c1([N+](=O)[O-])ncn(C)c1Nc2cccc(O)c2,0.0
52867,CO-ADD:0302403,1.15,C1(=O)OCc(ccc(N)c2)c12,0.0
52868,CO-ADD:0302396,1.15,C1(NC(NC(CC)=O)(C(F)(F)F)C(F)(F)F)=C(C)N(N(c2ccccc2)C1=O)C,0.0
52869,CO-ADD:0302815,1.15,C(=C/c(cc(OCO1)c1c2)c2Cl)(/C(=O)NN3c(cc4)ccc4C(OCC)=O)\C3=O.Cl,0.0
52870,CO-ADD:0300633,1.15,c1(NC(COc2ccc(cc2Cl)Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
52871,CO-ADD:0300503,1.15,c1(CC2(C)C)c(ccc(cccc3)c13)C(=N2)COc4cc(C)ccc4C(C)C.Cl,0.0
52872,CO-ADD:0301139,1.15,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(c(O)c5)OC)cccc4,0.0
52873,CO-ADD:0304903,1.15,C(C#N)(=C(C)\C(=C\c(ccc1c(ccc(c2Cl)Cl)c2)o1)\C(=N3)O)C3=O,0.0
52874,CO-ADD:0304959,1.15,N(C(=O)\C(\S1)=C/c2ccc(cc2OCC)OCC)=C1N(CC3)CCO3,0.0
52875,CO-ADD:0305096,1.15,c1([nH]nnn1)n2cc(cn2)Br,0.0
52876,CO-ADD:0305110,1.14,C(=C/c(cc1)ccc1OC)(/C(=O)NN2c(cc3)ccc3C(OC)=O)\C2=O,0.0
52877,CO-ADD:0301478,1.14,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3cccc(F)c3,0.0
52878,CO-ADD:0303628,1.14,S(=O)(=O)(N(C)C)c1cc(ccc1N2CCc(c3C2)cccc3)[N+](=O)[O-],0.0
52879,CO-ADD:0303224,1.14,C(C(OC)=O)(C1c2ccccc2)=C(C)N(C(C)=C1C(OC)=O)C,0.0
52880,CO-ADD:0301249,1.14,N(NC(c1ccccc1)=O)(C(CC(NC)=O)C(N2CC)=O)C2=S,0.0
52881,CO-ADD:0303626,1.14,c1(ccc(cc1Cl)C#N)CN2CCC(CC2)Cc3ccccc3.Cl,0.0
52882,CO-ADD:0304145,1.14,S(=O)(=O)(Nc(cc1)ccc1C(O)=O)c2c(C)ccc(nsn3)c23,0.0
52883,CO-ADD:0302157,1.14,C1(C(=O)OCc2ccccc2)=C(C)NC(=O)CC1c3ccccc3C(F)(F)F,0.0
52884,CO-ADD:0301809,1.14,c12c(ccc(cccc3)c13)NC(CC2c4ccccc4Br)=O,0.0
52885,CO-ADD:0303951,1.14,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c(cc3)ccc3C(F)(F)F,0.0
52886,CO-ADD:0303725,1.14,c1(C(OCC)=O)sc(c2n1)cccc2,0.0
52887,CO-ADD:0302814,1.14,C1(=O)Nc(c2N1)ccc(c2)NCc(cc3)ccc3F,0.0
52888,CO-ADD:0303031,1.14,c12c(c(c(C)s1)C)c(nc(SCc3ccccc3)n2)O,0.0
52889,CO-ADD:0305283,1.14,S(=O)(=O)(c1ccc(cc1)OC)N2CCSC2c3ccccc3,0.0
52890,CO-ADD:0304928,1.14,C(CC(=O)Nc(cc1)ccc1SCC)(c2c3cccc2)c4c(O3)cccc4,0.0
52891,CO-ADD:0300732,1.14,c1(cc(Cl)ccc1N(CC2)CCN2C(=O)c3ccccc3Cl)[N+](=O)[O-],0.0
52892,CO-ADD:0304824,1.14,C1(=C(c2c(cccc2)CC1(CC)CC)N=C(N3Cc4ccccc4)NCCCO)C3=O,0.0
52893,CO-ADD:0304440,1.14,c12c(CCNC1c(cc3)ccc3C(C)(C)C)cc(c(OC)c2)OC,0.0
52894,CO-ADD:0300782,1.14,C(/C#N)(\C(OCCCCC)=O)=C/c(ccc1c2cccc(Cl)c2Cl)o1,0.0
52895,CO-ADD:0300830,1.14,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)sc3c(ccc(c3)NC(=O)c4ccccc4C(=O)N(CC5)CCN5c6ccccc6)n1,0.0
52896,CO-ADD:0303132,1.14,c1(c(NCCOCCOS(C)(=O)=O)ccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
52897,CO-ADD:0301327,1.14,c12c(nnc(SCCNS(c3ccccc3)(=O)=O)n1)c4c(cccc4)n2CCC,0.0
52898,CO-ADD:0301274,1.14,N1(CCc2n[nH]cn2)C(=O)c(c3C1=O)cccc3,0.0
52899,CO-ADD:0301758,1.14,c1(nn(cn1)CC(=O)Nc2ccccc2SC)[N+](=O)[O-],0.0
52900,CO-ADD:0304151,1.14,[N+](=O)([O-])c1ccccc1NC(=O)Cc2cccs2,0.0
52901,CO-ADD:0304158,1.14,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c3cc(F)ccc3F,0.0
52902,CO-ADD:0320391,1.14,N1(Cc(cc2)ccc2F)C(=O)NC(\C(=C/c3ccc(cc3OC)OC)\C1=O)=O,0.0
52903,CO-ADD:0320947,1.14,N1(c(cc(SCC(C)C)c(c2S(c3ccccc3)(=O)=O)C)c2)C(=O)c(c4C1=O)cccc4,0.0
52904,CO-ADD:0324328,1.14,N1(c(cc2)ccc2C(OCC)=O)C(=O)\C(\SC1=N)=C\c(cc3)ccc3OCc4ccccc4F,0.0
52905,CO-ADD:0319678,1.14,N(c1c(cccc1)NC(CC(c2ccc(cc2)C)CC3=O)=C34)(C(=O)c(cc5OC)cc(c5OC)OC)C4c6cccc(OC)c6,0.0
52906,CO-ADD:0247711,1.14,C(=O)(Oc(cc1)ccc1\C=N\Nc2ccccc2)\C=C\c3ccccc3,0.0
52907,CO-ADD:0254545,1.14,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c4ccccc4)\SC=C1c5ccccc5.Br,0.0
52908,CO-ADD:0252854,1.14,n1c(c2ccccc2)cc(\N=C\c(cc3)ccc3N(C)C)n1c4ccccc4,0.0
52909,CO-ADD:0249084,1.14,S(=O)(=O)(c1ccc(cc1)\N=C\c(cc2)ccc2OCCC)Nc3ccccn3,0.0
52910,CO-ADD:0254691,1.14,C(/CC(=O)c1cccs1)(=N\NC(=O)c(cccc2[N+](=O)[O-])c2)\C(F)(F)F,0.0
52911,CO-ADD:0324468,1.14,N1(NC(=O)c2ccc(cc2)Br)C(=O)c3c(NC1c4ccc(cc4Cl)Cl)cccc3,0.0
52912,CO-ADD:0324764,1.14,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)OCC)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
52913,CO-ADD:0252834,1.14,S(=O)(=O)(Nc(cc1)ccc1\C(\C)=N\NC(=O)c(cccc2[N+](=O)[O-])c2)c3ccccc3[N+](=O)[O-],0.0
52914,CO-ADD:0324917,1.14,n1(n2)c(nc(cc1C(F)(F)Cl)c3ccco3)cc2C(=O)N(CC4)CCO4,0.0
52915,CO-ADD:0252812,1.14,N1(c2ccc(cc2)CC)C(c(cccc3[N+](=O)[O-])c3)Nc(c4C1=O)cccc4,0.0
52916,CO-ADD:0256236,1.14,c1(sc(c2n1)cccc2)n3c(C)cc(C)n3,0.0
52917,CO-ADD:0319419,1.14,C(=O)(C(c1ccc(c(OC)c1)O)N(C)C(=O)c(cc2)ccc2n3cnnn3)Nc4c(C)cccc4C,0.0
52918,CO-ADD:0255688,1.14,N1(c(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4C(C)=O)c2)C(=O)c(c5C1=O)cccc5,0.0
52919,CO-ADD:0256990,1.14,N(c1c(c(ccc1)ccc2)c2N3)=C3c4cccc(N)c4,0.0
52920,CO-ADD:0253761,1.14,s1c(C(OC)=O)ccc1C(O)=O,0.0
52921,CO-ADD:0250247,1.14,c1(cc(OC)cc(cccn2)c12)NC(CCCOc3ccc(cc3Cl)Cl)=O,0.0
52922,CO-ADD:0250560,1.13,c1(C2c3c(cccc3F)Cl)c(OC(N)=C2C#N)n(nc1C(F)(F)F)c4ccccc4,0.0
52923,CO-ADD:0250593,1.13,N1(c2ccc(cc2)OC)C(c(cc3)ccc3C(C)(C)C)Nc(c4C1=O)cccc4,0.0
52924,CO-ADD:0250200,1.13,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
52925,CO-ADD:0250160,1.13,S(c1ccccc1)(=O)(=O)Oc2ccccc2\C=C(\C3=O)/N=C(O3)c4ccc(cc4)C,0.0
52926,CO-ADD:0253550,1.13,c1(cc(Br)ccc1OC(=O)c2ccc(cc2)C)C(=S)N(CC3)CCO3,0.0
52927,CO-ADD:0253610,1.13,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(=O)N\N=C(/C)\c3ccc(cc3)Cl,0.0
52928,CO-ADD:0256273,1.13,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c(cc(OCO2)c2c3)c3Cl)F,0.0
52929,CO-ADD:0306751,1.13,C(C(=O)OCC(C)C)(C1c(cc2)ccc2C(OC)=O)=C(C)NC(CCCC3=O)=C13,0.0
52930,CO-ADD:0253966,1.13,c1(\C(\CCC2)=N\OC(=O)c3cccc(Br)c3)c2cc(c(C)c1)O,0.0
52931,CO-ADD:0256595,1.13,N(CCN1S(c2ccccc2)(=O)=O)(C1c(cc3)ccc3N(CC)CC)S(=O)(=O)c4ccc(cc4)C,0.0
52932,CO-ADD:0305820,1.13,c1(NC(COc(cc2)cc(c2[N+](=O)[O-])C)=O)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
52933,CO-ADD:0256429,1.13,N1(CCCc(cccc2)c12)C(CSCC(=O)Nc3ccccc3)=O,0.0
52934,CO-ADD:0307108,1.13,n1(c(C)c(Cl)c(n2)O)c2nnc1C(F)(F)F,0.0
52935,CO-ADD:0311219,1.13,[N+](=O)([O-])c1ccc(cc1)OCC(O)CN2CCCCC2,0.0
52936,CO-ADD:0312310,1.13,C(=O)(c1ccc(cc1)Oc2ccccc2)NCc3cccc(cccc4)c34,0.0
52937,CO-ADD:0307016,1.13,N1(c2ccc(cc2)OCCCC)C(=O)C(C(C1=O)C34CO)C(c(c35)cccc5)c(c46)cccc6,0.0
52938,CO-ADD:0311211,1.13,C(OC1)(OCC1(CO2)COC2c3ccco3)c4ccco4,0.0
52939,CO-ADD:0307208,1.13,c1(c(CC(Cl)(Cl)Cl)c(n2c(cc3)ccc3[N+](=O)[O-])C)c2CC(C)(C)CC1=O,0.0
52940,CO-ADD:0256040,1.13,N1(CCCC1C(=O)Nc(cc(C)cc2C)c2)C(=O)C(C)(C)C,0.0
52941,CO-ADD:0311773,1.13,S(=O)(=O)(NC(c1ccc(c(OC)c1)OC)CC(O)=O)c2cccc(nsn3)c23,0.0
52942,CO-ADD:0311378,1.13,C(C(OC)=O)(Nc1ccc(cn1)Cl)(C(F)(F)F)NC(=O)c2ccc(cc2)OC,0.0
52943,CO-ADD:0310877,1.13,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(=O)c4ccc(c(Cl)c4)OC,0.0
52944,CO-ADD:0307220,1.13,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c(cc4)cc(c4OC(=O)c5ccco5)OCC,0.0
52945,CO-ADD:0255334,1.13,C1(C(OCC)=O)=C(C)NC(=C2C1c3ccc(C(C)(C)C)s3)CCCC2=O,0.0
52946,CO-ADD:0247405,1.13,n(c1C)(nnc1C(=O)OC(C)C)c2nonc2N,0.0
52947,CO-ADD:0254915,1.13,N1(c2ccc(cc2)I)C(=O)c3c(cc(cc3)Cl)C1=O,0.0
52948,CO-ADD:0252382,1.13,N(C(=O)COC(=O)c1cc(c2o1)cccc2)(c3c4cccc3)c5c(S4)cccc5,0.0
52949,CO-ADD:0252352,1.13,C1(=O)C(\C(\C)=N\c(cc2)ccc2OC)C(NN1c3ccccc3)(C)c4ccccc4,0.0
52950,CO-ADD:0254561,1.13,c(C(=O)N\N=C\c(cc1I)cc(c1O)I)(c(C)on2)c2c3ccccc3,0.0
52951,CO-ADD:0247945,1.13,C(F)(F)(F)c(ccc(c1\N=C\c2cc(Cl)ccc2O)Oc(cc3)ccc3Cl)c1,0.0
52952,CO-ADD:0248157,1.13,n1c(SCC(=O)Nc2cccc(Cl)c2)[nH]nc1c3ccccc3,0.0
52953,CO-ADD:0320033,1.13,[N+](=O)([O-])c1ccccc1C(NCCc(ccc(c2OCC)OCC)c2)=O,0.0
52954,CO-ADD:0247881,1.13,C(=O)(C(C)(C)C)Nc(cc1)ccc1C(=O)Nc(cccc2C(=O)\C=C\c(cccc3NC(=O)c4ccc(cc4)NC(=O)C(C)(C)C)c3)c2,0.0
52955,CO-ADD:0320248,1.13,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(C5CCCCC5)O1,0.0
52956,CO-ADD:0320784,1.13,N1(c2ccccc2Cl)CC(CC1=O)C(=O)Nc3ccccc3C(F)(F)F,0.0
52957,CO-ADD:0254515,1.13,N1(CC)C(=O)\C(\SC1=S)=C/c(cc2)ccc2C(O)=O,0.0
52958,CO-ADD:0253141,1.13,C(=C\c1cc(Br)ccc1OCc2ccc(cc2Cl)Cl)(/C3=O)\C(=O)c(c34)cccc4,0.0
52959,CO-ADD:0247661,1.13,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)Nc2ccc(cn2)Br,0.0
52960,CO-ADD:0323359,1.13,S(=O)(=O)(N1CCCCC1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(=O)Nc(c(C)cc(c5C(C)C)O)c5)=O)=N4)c2,0.0
52961,CO-ADD:0323613,1.12,C(NCCC(C1)(CC2CC1CC3C2)C3)(NC(Cc4ccccc4)=O)(C(F)(F)F)C(F)(F)F,0.0
52962,CO-ADD:0323023,1.12,N1(c2cccc(OCC)c2)C(=O)CC(N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)C1=O,0.0
52963,CO-ADD:0324232,1.12,c12c(CCNC1c3ccccc3Cl)cc(c(OCC)c2)OCC.Cl,0.0
52964,CO-ADD:0324233,1.12,c1(N(CC2)CCN2c3cccc(Cl)c3)nc(OCC(F)(F)F)nc(Nc(cc4)ccc4OC(F)(F)F)n1,0.0
52965,CO-ADD:0324200,1.12,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c(cc(OC)c(c5[N+](=O)[O-])O)c5,0.0
52966,CO-ADD:0323817,1.12,S(=O)(=O)(c1ccc(cc1)C)NC(CC2(C)C)CC(N2O)(C)C.Cl,0.0
52967,CO-ADD:0254998,1.12,C(=C\c(cc1)ccc1OCc2ccccc2)(/C=C(O3)c4ccc(cc4)C)\C3=O,0.0
52968,CO-ADD:0248011,1.12,n(c1C)(nnc1C(=O)N\N=C\c2cccs2)c3nonc3N,0.0
52969,CO-ADD:0319663,1.12,N(c1c(cccc1)NC(CC(c2ccccc2)CC3=O)=C34)(C(=O)CC(C)C)C4c(cc5)ccc5C(OC)=O,0.0
52970,CO-ADD:0248909,1.12,[N+](=O)([O-])c(cc(Oc(cc1)ccc1CCC(=O)Nc2c(Br)cc(cc2F)F)cc3[N+](=O)[O-])c3,0.0
52971,CO-ADD:0320637,1.12,C12(C=Cc(c(ccc3[N+](=O)[O-])O1)c3)C(C)(C)c(c4N2CC(N)=O)cc(cc4)C,0.0
52972,CO-ADD:0249476,1.12,[N+](=O)([O-])c1cccc(\C=N\c(cc2)ccc2I)c1O,0.0
52973,CO-ADD:0319765,1.12,C(Nc(cc1)ccc1OC(F)(Cl)F)(C(OCC)=O)(C(F)(F)F)NC(=O)c2ccc(cc2)F,0.0
52974,CO-ADD:0323823,1.12,n1c(N(CC2)CCN2C)nc(nc1N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)Nc(cc7)ccc7OC(F)(F)F,0.0
52975,CO-ADD:0248858,1.12,C(=O)(N\N=C\c1cc(Br)ccc1O)C(C)Oc2ccccc2Br,0.0
52976,CO-ADD:0254948,1.12,[N+](=O)([O-])c(cccc1c2ccc(\C=N\Nc3nc(C)cc(COC)c3C#N)o2)c1,0.0
52977,CO-ADD:0324649,1.12,C(CN(CC1)CCO1)#Cc(cc2)ccc2C#CCN(CC3)CCO3,0.0
52978,CO-ADD:0323986,1.12,c12c(CCNC1\C(\Cl)=C\c3ccccc3)cc(c(OCC)c2)OCC.Cl,0.0
52979,CO-ADD:0250027,1.12,c1(NC(c2ccccc2)=O)n(c3ccccc3)ncc1C(=O)N4CCCCC4,0.0
52980,CO-ADD:0319742,1.12,c1(C(=O)c2ccc(cc2)C)oc(c3c1NC(CCl)=O)cccc3,0.0
52981,CO-ADD:0255308,1.12,C(O1)(NC(=O)NC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)F,0.0
52982,CO-ADD:0311191,1.12,N(C1c2ccc(c3c2)OCO3)(C(=O)C(=C1C(=O)c4ccc(cc4)C)O)c5sc(c6n5)cccc6,0.0
52983,CO-ADD:0305688,1.12,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2Br)(C(=O)Nc3ccccc3C)C1c4ccco4,0.0
52984,CO-ADD:0311685,1.12,n1(c2ccc(cc2F)F)nnnc1SCC(=O)Nc3ccccc3F,0.0
52985,CO-ADD:0256028,1.12,n1c(c2ccc(cc2)C)cc(\N=C\c(cc3)ccc3OCc(cc4)ccc4Cl)n1c5ccccc5,0.0
52986,CO-ADD:0305408,1.12,c(C#N)(c(\C(\C#N)=C\c(ccc1c(ccc(c2Cl)Cl)c2)o1)nn3c4ccccc4)c3N,0.0
52987,CO-ADD:0253396,1.12,c1(NC(=O)CN2CCCCC2)sc3c(CCCC3O)c1C(OCC)=O,0.0
52988,CO-ADD:0305786,1.12,c1(NC(COc(cccc2C(F)(F)F)c2)=O)sc(c(C)c1C(OCC)=O)C,0.0
52989,CO-ADD:0256017,1.12,N(C(CCCC)=O)c1ccccc1OC,0.0
52990,CO-ADD:0312614,1.12,c(c1c(cccc1)c(N2C3C4(OC(C=C4)C5)C5C2=O)c6C(N7CCCC7=O)C3)c6,0.0
52991,CO-ADD:0256730,1.12,C(=C\c1ccccc1)(/NC(C)=O)\C(=O)OC(C)C,0.0
52992,CO-ADD:0312480,1.11,[C@@]1(O[C@@](CN2c3ccccc3)(CC1)[C@@H]4C2=O)(C4)Br,0.0
52993,CO-ADD:0311563,1.11,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4cccc(OC)c4)n1Cc5ccccn5,0.0
52994,CO-ADD:0255905,1.11,C1(C(=O)OC2CCCCCC2)=C(C)NC(NC1c(cc3OC)cc(c3OC)OC)=O,0.0
52995,CO-ADD:0256638,1.11,N1(c(cc2)ccc2C(=O)Nc3ccccc3C(O)=O)C(=O)c4c(c(ccc5[N+](=O)[O-])C1=O)c5ccc4,0.0
52996,CO-ADD:0311087,1.11,c1(c2c(sc1NC(=O)c3ccc(cc3)F)CCCCC2)C(=O)Nc4ccccc4C,0.0
52997,CO-ADD:0253451,1.11,S(=O)(=O)(N(CC)CC)c1c(Cl)ccc(c1)C(=O)N(CC2)CCN2C(=O)c(ccc(c3S(=O)(=O)N(CC)CC)Cl)c3,0.0
52998,CO-ADD:0250101,1.11,N1c(ccc(c2)C)c2C3C(CC=C3)C1c4ccc(cc4)\N=C\c5ccccc5,0.0
52999,CO-ADD:0320032,1.11,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n2)Cc4ccccc4Cl,0.0
53000,CO-ADD:0253469,1.11,[N+](=O)([O-])c(cc1)c(C)c(c1c2ccc(C=O)o2)C,0.0
53001,CO-ADD:0256944,1.11,c1(C(F)(F)F)nc(sc1c2ccccn2)NC(=O)c3ccc(c(OC)c3)OC,0.0
53002,CO-ADD:0248266,1.11,c(C#N)(c(\C(\C#N)=C\c(cc1OC)cc(c1OCC)I)nn2c3ccccc3)c2N,0.0
53003,CO-ADD:0255202,1.11,C(C(OCC)=O)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
53004,CO-ADD:0253004,1.11,c1(N2CCC(CC2)C)nc(Cl)nc(NCC(OC)=O)n1,0.0
53005,CO-ADD:0247386,1.11,S(N)(=O)(=O)c1ccc(cc1)NC(=O)CC2=C(O)CC(C)(C)CC2=O,0.0
53006,CO-ADD:0320912,1.11,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)NCCc(ccc(c3OCC)OCC)c3,0.0
53007,CO-ADD:0254931,1.11,N1(c2ccccc2)C(=O)CC(N(CC3)CCN3CC)C1=O,0.0
53008,CO-ADD:0320816,1.11,n1(c2ccccc2C)c(S)nnc1c3ccc(c4n3)cccc4,0.0
53009,CO-ADD:0252621,1.11,c1(c2cc(OC)ccc2OC)c(C#N)c(OC)nc(N)c1C#N,0.0
53010,CO-ADD:0249519,1.11,n1(c(C)c(nn1)\C(\C)=N\N=C\c(cc2)ccc2C(C)C)c3nonc3N,0.0
53011,CO-ADD:0324648,1.11,C(=C\c1cccn1c2cccc(c2)[N+](=O)[O-])(/C(=O)NC(N3)=O)\C3=O,0.0
53012,CO-ADD:0323569,1.11,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C(=O)c4ccccc4C,0.0
53013,CO-ADD:0254609,1.11,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc4OC)cc(c4OC)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
53014,CO-ADD:0252784,1.11,c12c(non1)N\C(=N/N=C/c3cc(OCO4)c4cc3[N+](=O)[O-])\C(Nc5cccc(C)c5C)=N2,0.0
53015,CO-ADD:0252756,1.11,N1(\N=C\c(c(C)nn2c3ccccc3)c2Cl)C(=O)c4c(c5C1=O)c(ccc4)ccc5,0.0
53016,CO-ADD:0324018,1.11,C1(=Cc(cccc2OC)c2OC1=O)C(=O)NC3=CC=CNC3=O,0.0
53018,CO-ADD:0137579,1.11,O=C(NCCN1CCOCC1)C2=CC(NC(C3=CC(NC(C4=CC=C(OC)C=C4)=N)=CN3C)=O)=CN2CCCC5=CN(CCC6=CC=CC=C6)N=N5.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
53019,CO-ADD:0323395,1.11,N1(C(=O)CSc2c(cc(c3n2)CCCC3)C#N)c4c(cccc4)Sc(ccc(Cl)c5)c15,0.0
53020,CO-ADD:0249179,1.11,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\C=C\c(cc3)ccc3N(C)C,0.0
53021,CO-ADD:0319759,1.11,C1(=CC(OC12CCCCC2)=O)N3CCCCC3CC,0.0
53022,CO-ADD:0249147,1.11,c1(cc(OCCO2)c2cc1[N+](=O)[O-])C(=O)c3ccccc3Cl,0.0
53023,CO-ADD:0249529,1.11,n1(nnc(C(=O)N\N=C\c(cc2)ccn2)c1CN3CCCCCC3)c4nonc4N,0.0
53024,CO-ADD:0319703,1.11,C1(C2c(cccn3)c3)=C(CC(c(ccc(c4Cl)Cl)c4)CC1=O)Nc(c5N2C(C)=O)cccc5,0.0
53025,CO-ADD:0249557,1.11,C1(C(OC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(=O)N3CCCCCC3)=S,0.0
53026,CO-ADD:0249592,1.11,C(C(OCC)=O)(C1c2cccs2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
53027,CO-ADD:0319725,1.11,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/Nc3ccccc3,0.0
53028,CO-ADD:0249048,1.11,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(c5c4)OCO5,0.0
53029,CO-ADD:0254698,1.11,c(C#N)(c(\C(\C#N)=C\c1c[nH]nc1c2ccccc2)nn3c4ccccc4)c3N,0.0
53030,CO-ADD:0255119,1.11,S(=O)(=O)(N(c1ccccc1)CC(=O)NCc2ccccc2)c3ccccc3[N+](=O)[O-],0.0
53031,CO-ADD:0321033,1.1,N1(c2ccc(cc2)F)C(=O)C(N(CCc(ccc(c3OCC)OCC)c3)C1=S)CC(=O)Nc(cc4)ccc4OCC,0.0
53032,CO-ADD:0249479,1.1,c1(c2c([nH]3)cccc2)c3CCN(C)C1,0.0
53033,CO-ADD:0254555,1.1,N1(c2ccccc2)\C(=N/c3ccccc3)\S\C(=C/c4cc(Br)cc(OCC)c4O)\C1=O,0.0
53034,CO-ADD:0256972,1.1,c1(sc(c(ccc2S(C)(=O)=O)n1)c2)NC(=O)c3ccccc3Cl,0.0
53035,CO-ADD:0323442,1.1,O(c1ccccc1)CC(CNCCCO)O,0.0
53036,CO-ADD:0257136,1.1,c12c(nnc(SC(CC)C(=O)Nc3cccc(cccc4)c34)n1)c5c(cccc5)n2CC,0.0
53037,CO-ADD:0256222,1.1,c1(cc(ccc1N(CC2)CCN2C(=O)c3ccccc3Br)C(F)(F)F)[N+](=O)[O-],0.0
53038,CO-ADD:0256858,1.1,c1(ccccc1NC(c2ccccc2)=O)C(=O)NCc3ccccc3,0.0
53039,CO-ADD:0255933,1.1,c(cc(Br)c(c1)OC)(\C=N\c2ccc(cc2C)C)c1OC,0.0
53040,CO-ADD:0305554,1.1,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4ccccc4OC,0.0
53041,CO-ADD:0257124,1.1,N(=C(Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])NC=C2C(OCC)=O)C2=N,0.0
53042,CO-ADD:0256676,1.1,S(c1ccccc1)(=O)(=O)N(CC(NCCSc2ccccn2)=O)c3ccc(cc3C)C,0.0
53043,CO-ADD:0305783,1.1,C1(c2c(NC1=O)cccc2)(C3C(=O)c4c(cccc4)C3=O)C5C(=O)c6c(cccc6)C5=O,0.0
53044,CO-ADD:0306281,1.1,N1=C(N)C(F)=CN(CCC#N)C1=O,0.0
53045,CO-ADD:0256148,1.1,c1(N2CCC(CC2)C)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
53046,CO-ADD:0256840,1.1,N1(c2ccccn2)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
53047,CO-ADD:0311664,1.1,C(=CC(\C=C\c(ccc1c2ccccc2[N+](=O)[O-])o1)=NC3=O)(C(F)(F)F)N3,0.0
53048,CO-ADD:0256472,1.1,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc2ccc(c3n2)cccc3,0.0
53049,CO-ADD:0255958,1.1,C(C(=O)OCC(c1ccccc1)=O)(c2c3cccc2)c4c(O3)cccc4,0.0
53050,CO-ADD:0255581,1.1,[S+]1([O-])c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2C(=O)N1C,0.0
53051,CO-ADD:0311688,1.1,c1(c2ccccc2F)nnn(CC(=O)N3CCCCC3)n1,0.0
53052,CO-ADD:0253826,1.1,C1(=NC(=O)CC2=N)N2N=C(CCC)S1,0.0
53053,CO-ADD:0311058,1.1,c1(nncn1\N=C\c(ccc(c2OC)O)c2)n3c(C)cc(C)n3,0.0
53054,CO-ADD:0310949,1.1,C1(C2c3ccc(cc3)C)=C(CC(c4ccccc4)CC1=O)Nc(c5N2C(CC)=O)cccc5,0.0
53055,CO-ADD:0250540,1.1,N1(CC)C(=O)\C(\SC1=S)=C/c2cc(Br)cc(Cl)c2O,0.0
53056,CO-ADD:0312417,1.1,S(=O)(=O)(NC(c1ccc(cc1)Cl)CC(O)=O)c2cccc(nsn3)c23,0.0
53057,CO-ADD:0250012,1.1,c1(\N=C\c(ccc(c2[N+](=O)[O-])N3CCC(CC3)C)c2)c(c4ccc(c(OC)c4)O)nc(cccc5)n15,0.0
53058,CO-ADD:0256296,1.1,c1(c(OC)ccc(OC)c1)NC(=O)\C=C\c(ccc(c2OC)OC)c2,0.0
53059,CO-ADD:0253890,1.1,N(CN1CCCc(cc(OC)cc2)c12)(N=C(N3c4ccccc4)c5ccccc5)C3=S,0.0
53060,CO-ADD:0252751,1.1,C1(F)(C(F)(F)F)C(CC(C2OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C1(F)F)C2Cl,0.0
53061,CO-ADD:0319856,1.1,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCc3ccccc3,0.0
53062,CO-ADD:0319896,1.1,c1(N(CC2)CCN2C)nc(NCCOC(C3)(C4)CC(CC4CC35)C5)nc(OCC(F)(F)F)n1,0.0
53063,CO-ADD:0248151,1.1,c1(NC(=O)C(CC)Sc2sc(c3n2)cccc3)sc(c4c1C(OCC)=O)CCCC4,0.0
53064,CO-ADD:0247839,1.1,c1(C(NCCNC(=O)c2ccccc2F)=O)nonc1N,0.0
53065,CO-ADD:0247538,1.1,N(C(=O)CSc1ccccn1)(c2c3cccc2)c4c(S3)cccc4,0.0
53066,CO-ADD:0252647,1.1,C(NCCc(cc1)ccn1)(=O)C(NCCc(cc2)ccn2)=O,0.0
53067,CO-ADD:0252691,1.09,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)c(cccn3)c3,0.0
53068,CO-ADD:0321294,1.09,N1(C(=O)CSc2nc(CSc(cc3)ccc3Cl)cc(O)n2)c4c(cccc4)CCc(cccc5)c15,0.0
53069,CO-ADD:0252538,1.09,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc4c5ccc(cc5[N+](=O)[O-])Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
53070,CO-ADD:0319301,1.09,n(n1)(c(O)c(c1C(F)(F)F)\C(\C)=N/NC(CC(C)C)=O)c2sc(c3n2)cccc3,0.0
53071,CO-ADD:0252475,1.09,c1(C#N)c2c(sc1\N=C\c(cc(Br)cc3Br)c3O)CC(C)CC2,0.0
53072,CO-ADD:0321206,1.09,n1c(SCCOc2ccccc2)nc(c3c1S)cccc3,0.0
53073,CO-ADD:0133877,1.09,O=C(c1[nH]c([N+](=O)[O-])cn1)NC2CCCCC2,0.0
53074,CO-ADD:0321405,1.09,c1(N(CC2)CCN2c3cccc(Cl)c3)nc(OC)nc(Nc(cc4)ccc4OC(F)(F)F)n1,0.0
53075,CO-ADD:0137565,1.09,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC(C=CC=C4)=C4N=C3)=O)C=C1C(NC5=CN(C)C(C(NCCN(CCC6)C6=O)=O)=C5)=O.OC(C(F)(F)F)=O,0.0
53076,CO-ADD:0324280,1.09,s1c(C)nnc1SCC(=O)Nc(cc2)ccc2OC(Cl)(F)F,0.0
53077,CO-ADD:0324153,1.09,c1(CC2n(ncn3)c3[N-]C=C2[N+](=O)[O-])n(C)c(c4[n+]1C)cccc4,0.0
53078,CO-ADD:0320877,1.09,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCC)c4ccc(cc4)Br,0.0
53079,CO-ADD:0255074,1.09,C(C(=O)OCc1ccccc1)(C2c(cc3)ccc3N(CC)CC)=C(C)NC(CCCC4=O)=C24,0.0
53080,CO-ADD:0323310,1.09,c1(Sc2c(c3ccccc3)c4c(nc2O)cccc4)nnc(c(cccn5)c5)n1c6ccccc6,0.0
53081,CO-ADD:0323937,1.09,N1(CC(NCCc(c2C)c(c(Cl)ccc3Cl)c3[nH]2)=O)C(=O)c4c(C(C)=N1)cccc4,0.0
53082,CO-ADD:0249508,1.09,C(=C\c(c(C)ccc1[N+](=O)[O-])c1)(/C=C(O2)c3ccccc3)\C2=O,0.0
53083,CO-ADD:0254935,1.09,C(C)(C(F)(F)F)(C(F)(F)F)C(=O)Nc(cc1)ccc1Oc2ccccc2,0.0
53084,CO-ADD:0252231,1.09,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3)ccc3OCC(O)=O,0.0
53085,CO-ADD:0254564,1.09,C(=C/c(cc1I)cc(c1OC)I)(/C(=O)NC(N2)=S)\C2=O,0.0
53086,CO-ADD:0252466,1.09,C(=O)(c1c(C)cc(c(F)c1)F)Nc2c(cccc2F)F,0.0
53087,CO-ADD:0305420,1.09,n(ccn1CCCNC(=O)C(NCCc2ccccc2)=O)c1,0.0
53088,CO-ADD:0312188,1.09,N1(CC(=O)N(CC2)CCO2)C(=O)N(C(=O)N1CC(=O)N(CC3)CCO3)c4ccccc4,0.0
53089,CO-ADD:0311880,1.09,C(=O)(c1ccc(cc1)OCCCCCC)OC(CO2)COC2c3ccc(cc3)Cl,0.0
53090,CO-ADD:0311797,1.09,C(=O)(N1C(C)CCCC1C)c2cc(F)c(cc2Cl)F,0.0
53091,CO-ADD:0311834,1.09,c1(N(CC2)CCO2)nc(OCC(F)(F)F)nc(Nc(cc3)ccc3OC(F)(Cl)F)n1,0.0
53092,CO-ADD:0305872,1.09,c1(NC(=O)c(cc2OC)cc(c2OC)OC)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
53093,CO-ADD:0249913,1.09,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(c(cccc3)c3n4Cc5ccccc5)c4)\N2c6ccccc6,0.0
53094,CO-ADD:0307404,1.09,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c4ccc(c(Cl)c4)C)o3,0.0
53095,CO-ADD:0256141,1.09,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)C)SC(=NN2c6ccc(cc6)C)C(OCC)=O,0.0
53096,CO-ADD:0307119,1.09,S(=O)(=O)(NC(C)C)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4OC(Cl)(F)F)c1,0.0
53097,CO-ADD:0307646,1.09,S(=O)(=O)(c(cc1)ccc1N2CCCC2=O)Nc(ccc(c3Cl)F)c3,0.0
53098,CO-ADD:0305841,1.09,c1(NC(COc(cc2)cc(c2[N+](=O)[O-])C)=O)sc(c3c1C(OC)=O)CCCC3,0.0
53099,CO-ADD:0253872,1.09,N1(c2ccc(c(C)c2)C)C(=O)\C(=C\c3cc(Br)ccc3O)\C(NC1=S)=O,0.0
53100,CO-ADD:0306738,1.09,c1(C(NCCOc(cc2)ccc2CCC)=O)[nH]c(c3n1)cccc3,0.0
53101,CO-ADD:0250499,1.09,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c2ccc(c(cccc3)c23)OC,0.0
53102,CO-ADD:0306259,1.09,C(C(OCCOCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c(O)c3)OC,0.0
53103,CO-ADD:0255823,1.09,N1(C(=O)c(c2C1=O)ccc(c2)C(=O)NNC(=O)c3ccco3)N4C(=O)c5c(cccc5)C4=O,0.0
53104,CO-ADD:0311788,1.08,c1(N2CCCCC2)nc(OC)nc(Nc(cc3)ccc3OC(F)(Cl)F)n1,0.0
53105,CO-ADD:0255505,1.08,N1(c2ccc(cc2)F)C(=O)C(CC1=O)NCCc(ccc(c3OC)OC)c3,0.0
53106,CO-ADD:0311740,1.08,n1(c2ccc(cc2C)C)nnnc1SCCNS(c3ccccc3)(=O)=O,0.0
53107,CO-ADD:0253731,1.08,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc5ccccc5F)c3)n1c6ccccc6,0.0
53108,CO-ADD:0311088,1.08,c1(c2c(sc1NC(=O)c3ccc(cc3)F)CCC2)C(=O)Nc(cc4)ccc4OCC,0.0
53109,CO-ADD:0256320,1.08,c1(\C=N\c(ccc(c2[N+](=O)[O-])C)c2)c3c([nH]c1C)cccc3,0.0
53110,CO-ADD:0253171,1.08,S(=O)(=O)(N(CC1)CCO1)c2csc(C(=O)Nc(cccc3C(O)=O)c3)c2,0.0
53111,CO-ADD:0255436,1.08,[N+](=O)([O-])c1cccc(c1C)C(=O)Oc(ccc(c23)cccc2)c3,0.0
53112,CO-ADD:0254066,1.08,n1c(Nc2cccc(cccc3)c23)nc(c([N+](=O)[O-])c1Nc(cc4)ccc4OCC)C,0.0
53113,CO-ADD:0253120,1.08,n1(nnc(C(=O)N\N=C\c2ccccc2)c1CSc3sc(c4n3)cccc4)c5nonc5N,0.0
53114,CO-ADD:0252389,1.08,C1(C#N)(C#N)C(c2ccc(cc2C)C)C(C3)C(C(C#N)=C1N)=CCN3C.[K+],0.0
53115,CO-ADD:0319912,1.08,N(CCc(c12)cc(c(OC)c1)OC)(CC(CC(C)C)C(C3)=O)C23,0.0
53116,CO-ADD:0320208,1.08,N1(CCO)C(C)(O)C(OC1=O)(CC2(C)C)CC(N2)(C)C,0.0
53117,CO-ADD:0252456,1.08,N1=C(SCC(=O)Nc2cccc(cccc3)c23)NC(C(c4ccccc4)C1=O)=O,0.0
53118,CO-ADD:0320329,1.08,c1(nn(cn1)CC(NCCO[N+](=O)[O-])=O)[N+](=O)[O-],0.0
53119,CO-ADD:0248144,1.08,c12c(nnc(SCC(N3)=C(C(CCCCC(OCC)=O)=O)NC3=O)n1)c4c(cccc4)n2CC=C,0.0
53120,CO-ADD:0247647,1.08,[N+](=O)([O-])c(cc1)ccc1\C=C(/C(NCCCN(C)C)=O)\NC(=O)c2ccc(cc2)C,0.0
53121,CO-ADD:0249325,1.08,c1(C(=O)OCc2ccccc2Cl)nonc1N,0.0
53122,CO-ADD:0247703,1.08,C(=O)(c1ccc(cc1)Br)N\N=C(/CCl)\CCl,0.0
53123,CO-ADD:0254623,1.08,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc4OC)cc(c4OCc5cccc(cccc6)c56)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
53124,CO-ADD:0252296,1.08,S(NCCCCCCCCCCCCCCCCCC)(=O)(=O)c(cccc1C(=O)Nc(cc2)ccc2Br)c1,0.0
53125,CO-ADD:0249137,1.08,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(c(OC)cc(c4[N+](=O)[O-])OC)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
53126,CO-ADD:0324690,1.08,S(=O)(=O)(C(F)F)c1ccccc1NC(=O)NC(=O)c2c(cccc2F)F,0.0
53127,CO-ADD:0319262,1.08,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3NC(C)=O,0.0
53128,CO-ADD:0319310,1.08,C1(C23)C(C(c(cccc4)c24)c5c3cccc5)C(OC1=O)=O,0.0
53129,CO-ADD:0320918,1.08,c1(ccc(cc1N(CC2)CCN2c3ccccc3OC)N(CC4)CCN4)[N+](=O)[O-],0.0
53130,CO-ADD:0323041,1.08,c12c(ccc(C(=O)NCc3ccccc3)c1SCCO)C(=O)c(c4C2=O)cccc4,0.0
53131,CO-ADD:0324170,1.08,c1(N(CC2)CCO2)nc(COc(cc3)ccc3F)nc(N)n1,0.0
53132,CO-ADD:0324275,1.08,c12c(c(c3n1C(C)=O)cccc3)nc(SC)n2Cc4ccccc4,0.0
53133,CO-ADD:0248917,1.08,C(=O)(c1ccc(cc1)Cl)Nc(ccc(c2C)I)c2,0.0
53134,CO-ADD:0323945,1.08,S(=O)(=O)(N1CCCCC1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(NCCc(c(cccc5)c5n6C)c6C)=O)=O)=N4)c2,0.0
53135,CO-ADD:0247691,1.08,C(=C\C=N\NC(=O)c1ccccc1C)(/C(C)(C)c(c23)cccc2)\N3C,0.0
53136,CO-ADD:0320963,1.08,n12c(cccc1Cl)nnc2c(cccc3C(F)(F)F)c3,0.0
53137,CO-ADD:0249691,1.07,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C\c2ccco2)c3ccccc3[N+](=O)[O-],0.0
53138,CO-ADD:0254790,1.07,c1(NC(CCCC)=O)nnc(C)s1,0.0
53139,CO-ADD:0249017,1.07,C(=O)(NCc(cc1)ccc1Cl)C2CC=CCC2C(O)=O,0.0
53140,CO-ADD:0249722,1.07,N1(C(=O)C(C(C(F)(F)F)=N1)\C=N\CCc(cc2)ccc2OC)c3sc(c4n3)cccc4,0.0
53141,CO-ADD:0249658,1.07,c(C#N)(c(\C(\C#N)=C\c(c1)c(N2CCC(CC2)C)cc(N3CCC(CC3)C)c1[N+](=O)[O-])nn4c5ccccc5)c4N,0.0
53142,CO-ADD:0252436,1.07,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C\c(ccc(c2OC)OC)c2)c3ccccc3[N+](=O)[O-],0.0
53143,CO-ADD:0253109,1.07,c1(SCC(OCC(=O)Nc(cc2)ccc2C)=O)nc(C)cc(C)n1,0.0
53144,CO-ADD:0252277,1.07,C(NCCSc1ccccn1)(=O)c2ccc(cc2)CSc(cc3)ccc3Cl,0.0
53145,CO-ADD:0323093,1.07,C1(O)(Cc2ccccc2)c3c(C(=O)N1CC=C)cccc3,0.0
53146,CO-ADD:0252283,1.07,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N6CCCC6)n4.Br,0.0
53147,CO-ADD:0247555,1.07,c1(NC(=O)C(C)(C)C)sc(c(C)c1C(OCC)=O)C(=O)Nc2ccccc2,0.0
53148,CO-ADD:0312046,1.07,C1(NC(CCCN2C(=O)c(c3C2=O)cccc3)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
53149,CO-ADD:0307416,1.07,C1(C#N)(C(c(cc2)ccn2)O3)C(=N)OC3(C(C)C1(C#N)C#N)C,0.0
53150,CO-ADD:0311916,1.07,S1(=O)(=O)c(cccc2)c2C(NC3CCCCCCCCCCC3)=N1,0.0
53151,CO-ADD:0306787,1.07,C(C(OCCOCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c(F)c3)F,0.0
53152,CO-ADD:0305798,1.07,c1(NC(=O)C(C)Oc(cc2)ccc2F)sc(c(C)c1C(OC)=O)C,0.0
53153,CO-ADD:0306963,1.07,c1(nonc1N)\C(\N)=N\OCc2cccc(I)c2,0.0
53154,CO-ADD:0256888,1.07,c1(cc(cc2c1cc(cccc3)c3n2)[N+](=O)[O-])[N+](=O)[O-],0.0
53155,CO-ADD:0307615,1.07,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3cc(N4CCCCC4)c(cc3[N+](=O)[O-])F,0.0
53156,CO-ADD:0311205,1.07,N1(C(=O)CCC1=O)c2ccc(cc2[N+](=O)[O-])Cl,0.0
53157,CO-ADD:0253876,1.07,n12c(S\C(=C/c(cc3)ccc3Br)\C1=O)nnc2c4ccccc4Cl,0.0
53158,CO-ADD:0250526,1.07,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)C)SC(=NN2c6cccc(Cl)c6C)C(C)=O,0.0
53159,CO-ADD:0255687,1.07,c1(Nc(cc2)ccc2C)sc(c(c3ccc(c(Cl)c3)Cl)n1)CCC,0.0
53160,CO-ADD:0250501,1.07,n(c1ccccc1)(c2C)c(C)cc2\C=C(\SC(N3)=S)/C3=O,0.0
53161,CO-ADD:0253875,1.07,n12c(S\C(=C/c3ccc(cc3OC)OC)\C1=O)nnc2c4ccccc4,0.0
53162,CO-ADD:0312105,1.07,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(=O)c3cccs3)F,0.0
53163,CO-ADD:0305460,1.07,c1(C2=O)c(scc1c3ccc(cc3)OC)N=C(SCC(=O)Nc4c(CC)cccc4C)N2c5ccccc5,0.0
53164,CO-ADD:0256399,1.07,N1(c(cccc2c3oc(c4n3)cccc4)c2)C(=O)c5c(c(cccc6)c6C1=O)cccc5,0.0
53165,CO-ADD:0310898,1.07,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C(=O)\C=C\c4ccc(cc4Cl)Cl,0.0
53166,CO-ADD:0255394,1.07,N1c(ccc(c2)C(=O)OCC(=O)c3ccc(cc3)Br)c2C4C(CC=C4)C1c5ccc(cc5)Br,0.0
53167,CO-ADD:0311499,1.07,C(Nc(cc1)ccc1OC(F)(Cl)F)(C(OC)=O)(C(F)(F)F)NC(=O)c2ccco2,0.0
53168,CO-ADD:0307072,1.07,c1(cc(C)cc(F)c1F)C(=O)Nc2cccc(F)c2,0.0
53169,CO-ADD:0312020,1.07,c(C#N)(c(N)nc(c12)CCC(C)C1)c2c3ccc(cc3)F,0.0
53170,CO-ADD:0255898,1.07,C(=O)(OC(C)(C)C)N1CCCC1C(=O)Nc2cccc(C)c2C,0.0
53171,CO-ADD:0320648,1.06,n1c(N)n[nH]c1CC(=O)N(CCC)C2(CCCCC2)C(=O)Nc3c(C)cccc3C,0.0
53172,CO-ADD:0320080,1.06,c1(c(c2)scn2)nc(c3n1CC(NCCc4ccccc4)=O)cccc3,0.0
53173,CO-ADD:0319666,1.06,N(c1c(cccc1)NC(CC(c2ccccc2)CC3=O)=C34)(C(=O)c5cccs5)C4c6ccc(c(OCC)c6)OCc(cc7)ccc7Cl,0.0
53174,CO-ADD:0320353,1.06,c12c(CCNC1c3cccc(C)n3)cc(c(OCC)c2)OCC,0.0
53175,CO-ADD:0247888,1.06,N1(c2ccc(cc2C)c(cc3)cc(c3N4C(=O)C5C(C6CC5C=C6)C4=O)C)C(=O)C7C(C8CC7C=C8)C1=O,0.0
53176,CO-ADD:0252657,1.06,c1(n2)c(ccc(\C=N\NC(c(cc3)ccn3)=O)c1)no2,0.0
53177,CO-ADD:0255224,1.06,c1(C2(CCCCC2)NC=O)nnnn1c3cccc(Cl)c3,0.0
53178,CO-ADD:0247923,1.06,N1(c2ccc(c(C)c2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)N(CC#C)c(cc4)ccc4C(OC)=O,0.0
53179,CO-ADD:0320361,1.06,c1(C2c3cccs3)c([nH]nc1C45CC6CC(CC(C6)C4)C5)OC(N)=C2C#N,0.0
53180,CO-ADD:0249434,1.06,N1(c2ccc(cc2)I)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
53181,CO-ADD:0249055,1.06,N1C(=O)\C(\SC1=N)=C\c2cc(Br)ccc2OCc3ccccc3,0.0
53182,CO-ADD:0254697,1.06,c(C#N)(c(\C(\C#N)=C\c(ccc(c1OC)OCC#N)c1)nn2c3ccccc3)c2N,0.0
53183,CO-ADD:0321503,1.06,n1(c2c(C)cccc2C)nnnc1CN(Cc3ccccc3)Cc4ccccc4,0.0
53184,CO-ADD:0254382,1.06,C(/C#N)(\C(OCC)=O)=C/N=C(/C=C1)\C=CN1CCCCCCCCCCCCCCCC,0.0
53185,CO-ADD:0321543,1.06,N1(CCCC(=O)N(C)C(CC2(C)C)CC(N2C)(C)C)C(=O)c(c3C1=O)cccc3,0.0
53186,CO-ADD:0254872,1.06,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc4c(cccc5[N+](=O)[O-])c5)o4)\C1=O,0.0
53187,CO-ADD:0319247,1.06,c1(noc(COc2ccc(cc2C3CCCCC3)Cl)n1)c4nonc4N,0.0
53188,CO-ADD:0254348,1.06,C12=C(C=C(C)NC1=S)\C(\OC2=O)=C/c(ccc(c3Cl)Cl)c3.Cl.Cl,0.0
53189,CO-ADD:0319304,1.06,c1(sc(n2)NCn3c(C)cc(C)n3)c2CC(C)(C)CC1=O,0.0
53190,CO-ADD:0323772,1.06,C1(C(OCCSC)=O)=C(C)NC(NC1c(cc(OC)c(c2[N+](=O)[O-])O)c2)=O,0.0
53191,CO-ADD:0323006,1.06,C(=C\c(cc1c(n2)ccc(C)c1)c2O)(/C3=O)\C(=O)NC(=O)N3,0.0
53192,CO-ADD:0323790,1.06,C1(=Cc(c2OC1c3ccc(c(OC)c3)OC)cc(cc2Br)Br)[N+](=O)[O-],0.0
53193,CO-ADD:0324210,1.06,C1(C(OCCOCC)=O)=C(C)NC(=O)CC1c2ccccc2OCC,0.0
53194,CO-ADD:0254306,1.06,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
53195,CO-ADD:0249431,1.06,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
53196,CO-ADD:0247791,1.06,c1(cc(nn1c2ccc(cc2)Br)C)NS(c3ccccc3)(=O)=O,0.0
53197,CO-ADD:0324839,1.06,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(cc3OC)cc(c3OCCOc(cc4)ccc4C)Cl)\C1=N,0.0
53198,CO-ADD:0254486,1.06,C(C)(=O)Nc(cc1)ccc1C(=O)COc2ccccc2O,0.0
53199,CO-ADD:0254433,1.06,[N+](=O)([O-])c1ccc(cc1)CC(=O)N\N=C(\C)/c2ccc(cc2)Br,0.0
53200,CO-ADD:0253128,1.06,c1(SC(c2ccccc2)c3ccccc3)nnc(COc(cc4)ccc4C5CCCCC5)n1c6ccccc6,0.0
53201,CO-ADD:0247382,1.06,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c3c(cccc3Cl)Cl,0.0
53202,CO-ADD:0252866,1.06,C(Nc1cc(C)ccn1)(C(F)(F)F)(C(F)(F)F)NC(=O)c2ccco2,0.0
53203,CO-ADD:0252226,1.06,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2OCC)cc(c2OC)Br,0.0
53204,CO-ADD:0252651,1.06,S(=O)(=O)(c1ccc(cc1)C)Nc(cc2)ccc2OCCCC,0.0
53205,CO-ADD:0312483,1.06,[C@H]12O[C@]3([C@@H]([C@H]1C(=O)OCC)C(=O)N(C3)Cc4ccccc4)CC2,0.0
53206,CO-ADD:0311598,1.06,N1C(=O)CC(NNC(=O)c2cccc(F)c2)C1=O,0.0
53207,CO-ADD:0307410,1.06,N(CCC(N1)=O)(c2c1cccc2)C(OC)=O,0.0
53208,CO-ADD:0306955,1.06,N1(CC(OC)=O)C(=O)c2c(cc(cc2N=[N+]=[N-])N=[N+]=[N-])S1=O,0.0
53209,CO-ADD:0305865,1.06,c1(NC(COc(cc2)ccc2I)=O)sc(c3c1C(OC)=O)CCCC3,0.0
53210,CO-ADD:0307125,1.06,n(c(c1ccccc1)c2c(c3Nc(cc4)ccc4OC(F)(F)Cl)cccc2)n3,0.0
53211,CO-ADD:0306341,1.06,c1(sc(c2n1)cccc2)\C(\C#N)=C\c(cc(OC)c(c3[N+](=O)[O-])O)c3,0.0
53212,CO-ADD:0305992,1.06,[N+](=O)([O-])c1c(ccc(c1)C(=O)Nc(c(OC)ccc2C(F)(F)F)c2)OCC(F)(F)C(F)F,0.0
53213,CO-ADD:0255704,1.06,c([N+](=O)[O-])(s1)c(C)c(c1c2ccccc2)c3ccccc3,0.0
53214,CO-ADD:0250559,1.06,C1(C#N)(C#N)C(c(cco2)c2)[C@@]([H])(C3)C(C(C#N)=C1N)=CCN3C(=O)OC(C)(C)C,0.0
53215,CO-ADD:0311980,1.06,c1(c(NCCNC(=O)c2ccccc2F)ccc(c1)[N+](=O)[O-])C(F)(F)F,0.0
53216,CO-ADD:0256286,1.06,C(C#N)(C1CC(C)C)=C(SCc(cccc2[N+](=O)[O-])c2)NC(C)=C1C(C)=O,0.0
53217,CO-ADD:0307567,1.06,C(/C#N)(\C(=O)Nc(cc1)ccc1NC(=O)\C(\C#N)=C/c(c2c([nH]3)cccc2)c3)=C\c(c4c([nH]5)cccc4)c5,0.0
53218,CO-ADD:0253270,1.06,N1(c2c(OC)ccc(OC)c2)C(=O)C(C3C1=O)C(c4ccccc4)C=CC3c5ccccc5,0.0
53219,CO-ADD:0255694,1.06,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c2ccccc2c3ccccc3\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
53220,CO-ADD:0307230,1.06,C12(C(=O)Nc(ccc(C)c3Br)c13)C(C#N)=C(N)OC(C=C(C)OC4=O)=C24,0.0
53221,CO-ADD:0307222,1.06,S(=O)(=O)(NC(C)(C)C#C)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc4ccccc4)c1,0.0
53222,CO-ADD:0255720,1.06,c1(cc(O)cc(O)c1)C(=O)N\N=C\c2ccccc2O,0.0
53223,CO-ADD:0310839,1.05,N1(c2c(OC1=O)ccc(Cl)c2)C(=O)NC3CCCCC3,0.0
53224,CO-ADD:0256964,1.05,c1(cc(ccc1N(CC(C)C)CC(C)C)\C=N\NC(COc(cc2)ccc2OC)=O)[N+](=O)[O-],0.0
53225,CO-ADD:0306355,1.05,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccc(cc3)F)N4CCCCC4)[N+](=O)[O-],0.0
53226,CO-ADD:0256106,1.05,c1(N(C)C)nc(N\N=C/c(ccc2c(c(C)c3)cc(c3[N+](=O)[O-])C)o2)nc(Nc(cc4)ccc4F)n1.Cl,0.0
53227,CO-ADD:0306912,1.05,c1(noc(COc(cc2)ccc2CCC)n1)c3nonc3N,0.0
53228,CO-ADD:0306904,1.05,C12=C(c3c(cccc3)C1=O)C(Nc(ccc(cccc4)c45)c25)c6ccccn6,0.0
53229,CO-ADD:0256156,1.05,C(=N/c1ccccc1)(/S\C(\C2=O)=C/c3cc(OC)ccc3OC)\N2,0.0
53230,CO-ADD:0255552,1.05,c1(cc(cc(C(C)CC)c1OC(OC(C)C)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
53231,CO-ADD:0320042,1.05,c1(c2c(cs1)CCCC2)C(=O)N3CCC(CC3)C,0.0
53232,CO-ADD:0256568,1.05,o1c(SCc(cc2)ccc2C(O)=O)nnc1c3ccc(cc3)OC,0.0
53233,CO-ADD:0320674,1.05,[N+](=O)([O-])c(ccc(c1C(NCCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)=O)Cl)c1,0.0
53234,CO-ADD:0253915,1.05,c(cc(cc1C(=O)Nc(cc2)ccc2Cl)[N+](=O)[O-])([N+](=O)[O-])c1Nc3cccc(Cl)c3,0.0
53235,CO-ADD:0248133,1.05,c12c(nnc(SCC(=O)N(c3c4cccc3)c5c(S4)cccc5)n1)c6c(cccc6)n2CC=C,0.0
53236,CO-ADD:0252936,1.05,S(=O)(=O)(c1ccccc1\C=N\O)N(C)c2ccccc2,0.0
53237,CO-ADD:0320156,1.05,C12=C(CCCC1=O)Nc(c3C2c4ccc(c(O)c4)O)ccc5c3ccc(n5)C,0.0
53238,CO-ADD:0254444,1.05,C1(Cl)(C2C(OC)=O)C(Cl)(Cl)C(C(Cl)=C1Cl)(C2C(O)=O)Cl,0.0
53239,CO-ADD:0320589,1.05,C(C(N)c1ccc(cc1)OC)C(OCC)=O,0.0
53240,CO-ADD:0254386,1.05,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c3ccccc3O)NC(c4ccccc4)=O,0.0
53241,CO-ADD:0255036,1.05,C(=O)(NNC(=O)c1cccc(I)c1)C(=O)NC(C)(C)C,0.0
53242,CO-ADD:0320307,1.05,C1(=Cc2c(ccc(cccc3)c23)OC1c(ccc(c45)OCO4)c5)[N+](=O)[O-],0.0
53243,CO-ADD:0249287,1.05,c1(SCc(cc2)ccc2I)[nH]c(c3n1)cccc3,0.0
53244,CO-ADD:0321193,1.05,C(=O)(OC(CC1)CCC1C(C)(C)C)Nc(ccc(c23)cccc2)c3,0.0
53245,CO-ADD:0321217,1.05,n1c(SCc2ccccc2)nc(c3c1SCc4[nH]c(c5n4)cccc5)cccc3,0.0
53246,CO-ADD:0323411,1.05,c1(N2CCCCC2)nc(Cn3nnc(c4ccc(cc4)OC)n3)nc(N)n1,0.0
53247,CO-ADD:0324396,1.05,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(cc2)ccc2C3CCCCC3,0.0
53248,CO-ADD:0323455,1.05,n1(CC=C)c(SCC(=O)Nc2nnc(CC)s2)nnc1c3cccs3,0.0
53249,CO-ADD:0324379,1.05,S(=O)(=O)(NC(CC)C12CC3CC(CC(C3)C1)C2)C4=C(C)NC(NC4=O)=O,0.0
53250,CO-ADD:0323818,1.05,N1(C(C)(C)CC(CC1(C)C)OC(=O)c2ccco2)OC(=O)c(cc3)ccc3n4cnnn4,0.0
53251,CO-ADD:0323787,1.05,n1c(N)n[nH]c1CC(=O)N(Cc2ccccc2)C3(CCCCC3)C(=O)Nc4ccccc4C,0.0
53252,CO-ADD:0324718,1.05,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5cc(C)ccc5C)cccc4,0.0
53253,CO-ADD:0249472,1.05,C(=O)(Nc(cc1)ccc1N=Nc2ccccc2)N(C)c3cccc(Cl)c3,0.0
53254,CO-ADD:0249680,1.05,S(c1ccccc1)(=O)(=O)N2CCC(CC2)C(=O)OCc(cc3)ccc3[N+](=O)[O-],0.0
53255,CO-ADD:0249167,1.05,[N+](=O)([O-])c1ccc(cc1)N\N=C\c(cc2)ccc2SC,0.0
53256,CO-ADD:0324143,1.05,S(=O)(=O)(N1CCCCCC1)c2c(OC)cc(c(OC)c2)Br,0.0
53257,CO-ADD:0247681,1.05,[n+](cccc1C(=O)[O-])(CCCOc(cc2)ccc2NC(C)=O)c1,0.0
53258,CO-ADD:0324567,1.05,C(=N\c(cc1)ccc1Cl)(/SC(C(=O)Nc2ccccc2Cl)CC3=O)\N3CCC(C4)(CC(C5)CC6CC45)C6,0.0
53259,CO-ADD:0248987,1.05,c1(C#N)c(c2ccc(cc2)C)cc(nc1SCC(CSCCCC)O)c3ccccc3,0.0
53260,CO-ADD:0248250,1.05,[N+](=O)([O-])c1ccc(cc1NC(C)C23CC(CC4C2)CC(C4)C3)N(CC5)CCN5CCO,0.0
53261,CO-ADD:0252614,1.04,C(=O)(N(CC1)CCO1)C(Br)C(Br)c2ccc(cc2)C#N,0.0
53262,CO-ADD:0324447,1.04,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4c(OC)ccc(Cl)c4,0.0
53263,CO-ADD:0324681,1.04,c12c(n(c(SCC(NCCc3ccccc3)=O)n1)CC=C)C(N(C)C(=O)N2C)=O,0.0
53264,CO-ADD:0255164,1.04,C(=O)(Nc(cccc1\C=C\C(c2ccccc2)=O)c1)c(c3)cc(cc3NC(=O)C(C)(C)C)NC(=O)C(C)(C)C,0.0
53265,CO-ADD:0254471,1.04,N1(CCC(NNC=O)=N)C(=O)c(c2C1=O)cccc2,0.0
53266,CO-ADD:0324721,1.04,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c(cc5OC)cc(c5O)Cl)cccc4,0.0
53267,CO-ADD:0254388,1.04,N#CCC(=O)N\N=C(/C)\CC(=O)NCC(C)C,0.0
53268,CO-ADD:0310792,1.04,C(/N1)(\C2(CC1(C)C)C=CC(C=C2)=O)=C/C(OCC)=O,0.0
53269,CO-ADD:0310785,1.04,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c(ccc(c56)OCO5)c6)cccc4,0.0
53270,CO-ADD:0311852,1.04,C1(C)(C)C(CCC1(C)C(O)=O)C(=O)Nc(cc2)ccc2OC(Cl)(F)F,0.0
53271,CO-ADD:0305471,1.04,n1(C)c(SCC(=O)NCC(c2ccccc2)=O)nnc1c(cc3)ccc3C(C)(C)C,0.0
53272,CO-ADD:0305463,1.04,C12(Nc(cccc3)c3C(=O)N1C4CCCCC4)c5c(N(Cc6ccccc6Cl)C2=O)cccc5,0.0
53273,CO-ADD:0311831,1.04,c1(C2c3ccccc3OCCC)c([nH]nc1c4ccc(cc4)OCCCC)OC(N)=C2C#N,0.0
53274,CO-ADD:0312145,1.04,c12c(nnc(SCC(=O)N3CCCCC3)n1)c4c(cccc4)n2CCC,0.0
53275,CO-ADD:0253954,1.04,c1(N2CCC(CC2)C)nc(N\N=C\c3ccccc3F)nc(Nc4cccc(C)c4C)n1.Cl,0.0
53276,CO-ADD:0256665,1.04,C1(C(OCCCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)CC,0.0
53277,CO-ADD:0310873,1.04,c1(n[nH]cn1)C(=O)NC2CCCCCCCCCCC2,0.0
53278,CO-ADD:0306900,1.04,c1(C2c(cc(OCC)c(c3[N+](=O)[O-])OC(=O)c4cccs4)c3)c([nH]nc1c5ccc(cc5)OC)OC(N)=C2C#N,0.0
53279,CO-ADD:0256385,1.04,n1(CC(=O)N\N=C\c(ccc2c3cc(C)c(cc3[N+](=O)[O-])C)o2)nnnc1N,0.0
53280,CO-ADD:0312440,1.04,c1(SCC(=O)NCc2ccco2)n(C)c3c(cccc3)n1,0.0
53281,CO-ADD:0253177,1.04,C(=O)(N\N=C\c1cc(Br)ccc1F)C2CCCCN2C,0.0
53282,CO-ADD:0253202,1.04,C([N+](=O)[O-])(C1c2ccc(c(OC)c2)OC)=C(N)OC(C=C(C)OC3=O)=C13,0.0
53283,CO-ADD:0250117,1.04,C(=O)(Nc(cccc1C(C)=O)c1)c2ccccc2C(O)=O,0.0
53284,CO-ADD:0255867,1.04,N1(CN2CCCCC2)N=C(N(C)C1=S)COc(cc3)ccc3C4CCCCC4,0.0
53285,CO-ADD:0311747,1.04,N(c1ccccc1Cl)(C(c2ccccc2)=O)NC(=O)C(CCCCC)(CCCCC)O,0.0
53286,CO-ADD:0255427,1.04,S(=O)(=O)(NCc(cccn1)c1)c2c(Cl)ccc(Cl)c2,0.0
53287,CO-ADD:0312147,1.04,c12c(c3c(cccc3)[nH]1)nnc(SCC(NCCc4ccccc4)=O)n2,0.0
53288,CO-ADD:0250139,1.04,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c12)OCO1)c2)C(=O)Nc3ccccc3OC,0.0
53289,CO-ADD:0307353,1.04,N1(\N=C(/C)\c2ccccc2O)C(c3ccc(c(OC)c3)OCc4ccccc4)Nc(c5C1=O)cccc5,0.0
53290,CO-ADD:0307160,1.04,n1(CC=C)c(SCc2[nH]c(c3n2)cccc3)nnc1c4ccco4,0.0
53291,CO-ADD:0257121,1.04,N(CCN1C(C)=O)(C1C(C)C)S(=O)(=O)c2ccc(cc2)C,0.0
53292,CO-ADD:0250212,1.04,C(=O)(c1cccs1)N(c2ccccc2)c3ccc(c4c3)cccc4,0.0
53293,CO-ADD:0319914,1.04,c12c(n(cn1)CC(O)C\N=C(/CCCC3)\N3)C(N(C)C(=O)N2C)=O,0.0
53294,CO-ADD:0248086,1.04,c1(nc(c2c([nH]3)cccc2)c3n4)c4non1,0.0
53295,CO-ADD:0320146,1.04,C1(C2c3ccc(cc3)OCC)=C(CCCC1=O)Nc(ccc4c5cccn4)c25,0.0
53296,CO-ADD:0254401,1.04,N1(c2ccc(cc2)Cl)C(=O)N(C(C)(C)C1(C)NOC(=O)Nc(cc3)ccc3Cl)C,0.0
53297,CO-ADD:0248206,1.03,N1(N=C(CC1(O)C(F)(F)F)C)C(=O)c2cccc(C)c2O,0.0
53298,CO-ADD:0320362,1.03,c1(C2c3ccc(c(OC)c3)OC)c([nH]nc1C45CC6CC(CC(C6)C4)C5)OC(N)=C2C#N,0.0
53299,CO-ADD:0249253,1.03,C(=O)(Nc1ccccc1Cl)c2ccccc2NC(c3ccccc3)=O,0.0
53300,CO-ADD:0320956,1.03,c1(cc(o2)C)c2cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
53301,CO-ADD:0321457,1.03,N1(CCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)C(C)(O)C4(OC1=O)CCCCC4,0.0
53302,CO-ADD:0249428,1.03,C(C#N)(C(c(ccs1)c1)C2=C(N3c4ccc(cn4)Br)CCCC2=O)=C3N,0.0
53303,CO-ADD:0252480,1.03,[N+](=O)([O-])c1cc2c(cc1\C=N\c(ccc(c3I)C)c3)OCO2,0.0
53304,CO-ADD:0321386,1.03,S(=O)(=O)(CC(C1CC(=O)Nc2ccc(cc2Cl)Cl)CC(=O)Nc3ccc(cc3Cl)Cl)C1,0.0
53305,CO-ADD:0320894,1.03,C1(=COc(c2C1=O)cccc2)C3NCCc(cc(c(OCC)c4)OCC)c34,0.0
53306,CO-ADD:0323682,1.03,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c5ccc(cc5)F)O1,0.0
53307,CO-ADD:0323249,1.03,c1(C#N)c(C)c(Cl)c(nc1SC)C,0.0
53308,CO-ADD:0323273,1.03,n1(c2ccccc2)nnnc1SCC(NCCC(C3)(C4)CC(C5)CC3CC45)=O,0.0
53309,CO-ADD:0323827,1.03,c1(NC(=O)c2ccccc2F)n(c3ccccc3)ncc1C(=O)N(CC4)CCN4C(OCC)=O,0.0
53310,CO-ADD:0324323,1.03,c1(N2CCCCC2)nc(COc(cc3)ccc3C(OC)=O)nc(N)n1,0.0
53311,CO-ADD:0249391,1.03,N(Cc1ccccc1Cl)(c(c2)c(N3Cc4ccccc4Cl)cc(N5CCCCC5)c2[N+](=O)[O-])C3=O,0.0
53312,CO-ADD:0249207,1.03,c1(C2)c(CCN2C(=O)c3ccccc3C)c4c(cccc4)[nH]1,0.0
53313,CO-ADD:0249517,1.03,n(nnc1C(=O)N\N=C\c(ccc(c2)N(CC)CC)c2O)(c1COC)c3nonc3N,0.0
53314,CO-ADD:0249220,1.03,c1(c2ccc(cc2)\N=C\c3ccc[nH]3)sc4c(ccc(C)c4)n1,0.0
53315,CO-ADD:0254981,1.03,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
53316,CO-ADD:0248008,1.03,c12c(nnc(SCC(=O)NCc3ccco3)n1)c4c(cccc4)n2CC=C,0.0
53317,CO-ADD:0247374,1.03,c1(nc(c2n1CC(=O)N\N=C\c(cc3)cc(c3OC(=O)c4cc(F)c(cc4Cl)F)OC)cccc2)c5nonc5N,0.0
53318,CO-ADD:0252749,1.03,c1(C#N)c(N)nc(c2c1c3ccccc3F)CCCCC2,0.0
53319,CO-ADD:0323282,1.03,c1(NC(=O)C(OC)(F)C(F)(F)F)sc(c(CCN2C)c1C(OCC)=O)C2,0.0
53320,CO-ADD:0324666,1.03,S(=O)(=O)(NC(C)(CC)C#C)c1ccc(c(C)c1C)C,0.0
53321,CO-ADD:0247996,1.03,s1c(c2ccccc2)nnc1NC(COc3ccccc3)=O,0.0
53322,CO-ADD:0321353,1.03,c12c(ccc(Br)c1)nc(c(CC)c2SCCC(O)=O)C,0.0
53323,CO-ADD:0319320,1.03,[N+](=O)([O-])c1ccc(cc1)CC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3,0.0
53324,CO-ADD:0311491,1.03,C1(=NCC(C)S1)N(c2ccc(cc2)OC(Cl)(F)F)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
53325,CO-ADD:0305947,1.03,c1(c2c(sc1NC(COc3ccc(cc3C)Cl)=O)CCCC2)C(=O)OC(C)C,0.0
53326,CO-ADD:0307629,1.03,C(OCC(C)C)(=O)NCc(ccc(c12)OCO1)c2,0.0
53327,CO-ADD:0312102,1.03,[N+](=O)([O-])c(c(C)c1)cc(c1N2CCCCC2C)F,0.0
53328,CO-ADD:0305846,1.03,c1(NC(=O)c2cccs2)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
53329,CO-ADD:0257106,1.03,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(=O)N\N=C(\CC3)/CCN3C,0.0
53330,CO-ADD:0257130,1.03,c1(SCC(=O)Nc2nncs2)[nH]c(c3n1)cccc3,0.0
53331,CO-ADD:0312157,1.03,c1(N(CC2)CCO2)nc(CSc3nc(c4ccccc4)cc(c5ccc(cc5)OC)c3C#N)nc(N)n1,0.0
53332,CO-ADD:0256642,1.03,N1(c2ccc(cc2)Cl)C(=O)c3c(N=C1c4ccccc4)ccc(c3)c(ccc(c5C6=O)N=C(N6c7ccc(cc7)Cl)c8ccccc8)c5,0.0
53333,CO-ADD:0305466,1.03,N1(c2ccccc2C)C(CSc3nc(C)cc(O)n3)=Nc(c4C1=O)cccc4,0.0
53334,CO-ADD:0305418,1.03,C1(O)(CC(=O)c2ccc(cc2)NC(C)=O)c3c(N(C)C1=O)cccc3,0.0
53335,CO-ADD:0311124,1.03,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1\C=C\c4ccccc4OC,0.0
53336,CO-ADD:0255595,1.03,c1(C2(CCCCC2)NC(CC)=O)nnnn1c3cccc(Cl)c3,0.0
53337,CO-ADD:0311065,1.03,N1(Cc2ccc(cc2Cl)F)c3c(OC1=O)cccc3,0.0
53338,CO-ADD:0311057,1.03,c1(nncn1\N=C\c2ccc(cc2Cl)Cl)n3c(C)cc(C)n3,0.0
53339,CO-ADD:0253529,1.03,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4Br)O)c4)\C1=O,0.0
53340,CO-ADD:0307263,1.03,c1(NC(CC(C)C)=O)c(Cl)nc(c(Cl)c1C)C,0.0
53341,CO-ADD:0255554,1.03,c12c(nnc(S)n1)c3c(cccc3)n2CCC,0.0
53342,CO-ADD:0305993,1.03,[N+](=O)([O-])c1c(ccc(c1)C(=O)Nc(c(ccc2C(F)(F)F)OCc3ccccc3)c2)OCC(F)(F)C(F)F,0.0
53343,CO-ADD:0306326,1.03,c1(ccc(cc1F)\C(\CC)=N\Nc(cc2)ccc2F)N(CC3)CCO3,0.0
53344,CO-ADD:0253545,1.03,S(=O)(=O)(N(CCCC1C(=O)N(CC)CC)C1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c3ccccc3N(CCCC4C(=O)N(CC)CC)C4,0.0
53345,CO-ADD:0307476,1.02,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4ccc(c(OC)c4)OC(C)=O,0.0
53346,CO-ADD:0311492,1.02,C1(=NCC(C)S1)N(c2ccc(cc2)OC(Cl)(F)F)C(=O)Nc3cccc(Cl)c3,0.0
53347,CO-ADD:0255557,1.02,c1(NC(CSc2[nH]c(c3n2)cccc3)=O)sc4c(ccc(C)c4)n1,0.0
53348,CO-ADD:0320091,1.02,c1(C(OCC)=O)sc(c2c1N)cc(cc2Sc3ccccc3)[N+](=O)[O-],0.0
53349,CO-ADD:0250225,1.02,c1(SCCNC(CSc(cc2)ccc2Cl)=O)sc(c3n1)cccc3,0.0
53350,CO-ADD:0320683,1.02,c(C(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)=O)(c(Cl)cn3)n3C,0.0
53351,CO-ADD:0319891,1.02,c1(C2c3ccc(cc3)OCc4ccccc4F)c([nH]nc1c5cccs5)OC(N)=C2C#N,0.0
53352,CO-ADD:0248274,1.02,C(=C/c(cc1)ccc1C(C)C)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
53353,CO-ADD:0320142,1.02,C1(C2c3ccc(cc3)SC)=C(CC(C)(C)CC1=O)Nc(ccc4c5cccn4)c25,0.0
53354,CO-ADD:0247372,1.02,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2OC)cc(c2OCC#C)I,0.0
53355,CO-ADD:0323812,1.02,N1(C(C)(C)CC(CC1(C)C)OC(c2ccccc2)=O)OC(c3ccccc3)=O,0.0
53356,CO-ADD:0254286,1.02,S1(=O)(=O)c(cccc2)c2C(N(C)c3ccc(cc3)OC(=O)c4ccc(cc4Cl)Cl)=N1,0.0
53357,CO-ADD:0255013,1.02,C(C(OCC)=O)(C1c2ccc(cc2)Br)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
53358,CO-ADD:0323045,1.02,[N+](=O)([O-])c1cccc(c1)\C=N/c2ccccc2NC(=O)c(cc3)ccc3C(F)(F)F,0.0
53359,CO-ADD:0321402,1.02,c12c(CCNC1c(cc3)ccc3C(F)(F)F)cc(c(OCC)c2)OCC,0.0
53360,CO-ADD:0320755,1.02,C(=CC(\C=C\c(ccc(c1OC)OCc2ccccc2F)c1)=NC3=O)(C(F)(F)F)N3,0.0
53361,CO-ADD:0320779,1.02,N1(c2c(OC)ccc(OC)c2)C(=O)NC(\C(=C/c(c3c([nH]4)cccc3)c4)\C1=O)=O,0.0
53362,CO-ADD:0323354,1.02,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc5cccc(Cl)c5)c2,0.0
53363,CO-ADD:0133869,1.02,O=[N+]([O-])c1nc2n(cc(c3ccccc3)nc2OCCN=[N+]=[N-])c1,0.0
53364,CO-ADD:0323530,1.02,c1(C)c(cccc1NC(COc(ccc(c23)OCO2)c3)=O)Cl,0.0
53365,CO-ADD:0323843,1.02,c1(S[C@H]2C\C(=N\O)\[C@H](O3)O[C@@H]2C3)nc(C)cc(C(F)F)n1,0.0
53366,CO-ADD:0323084,1.02,C1(=S)NC(C)=CC=C1CNC(=O)c2ccc(cc2)Cl,0.0
53367,CO-ADD:0249682,1.02,S(c1ccccc1)(=O)(=O)N2CCC(CC2)C(OC)=O,0.0
53368,CO-ADD:0249521,1.02,n1(nnc(C(=O)N\N=C\c2[nH]c(c3n2)cccc3)c1CN(CC)CC)c4nonc4N,0.0
53369,CO-ADD:0249185,1.02,c1(SCC(=O)Nc2sccn2)oc(c3n1)cccc3,0.0
53370,CO-ADD:0249675,1.02,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc(c2[N+](=O)[O-])N3CCCCC3)c2,0.0
53371,CO-ADD:0254846,1.02,N12C(S\C(=C\c3cccc(F)c3)\C1=O)=C(C(c4cccc(F)c4)C(C#N)=C2N)C(OCC)=O,0.0
53372,CO-ADD:0324880,1.02,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(c(OCCOc3cccc(C)c3)ccc4[N+](=O)[O-])c4)\C2=N,0.0
53373,CO-ADD:0324600,1.02,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
53374,CO-ADD:0254841,1.02,N1(c2ccc(cc2Br)C)C(=O)C(C3C1=O)C(C(C4C(N5c6ccc(cc6Br)C)=O)C5=O)C(=C(C(=O)Oc7ccccc7)C34C)C,0.0
53375,CO-ADD:0323700,1.02,[N+](=O)([O-])c1ccc(cc1)CNCCc(c2c([nH]3)cccc2)c3C,0.0
53376,CO-ADD:0248002,1.02,c12c(nnc(SCC(=O)Nc3cc(C)ccn3)n1)c4c(cccc4)n2CC,0.0
53377,CO-ADD:0319289,1.02,N1(C(C)=O)C2(CCCCCC2)OC(c(cc3)ccn3)=N1,0.0
53378,CO-ADD:0247615,1.01,C(=O)(NC1CC1)C(=O)NCc2ccco2,0.0
53379,CO-ADD:0247973,1.01,N1(c2ccc(c(C)c2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)N(CC4)CCO4,0.0
53380,CO-ADD:0248167,1.01,c1(NC(CCCCCC)=O)nnc(Cc2ccccc2)s1,0.0
53381,CO-ADD:0247579,1.01,n1(nnc(C)c1C(=O)N\N=C(/C)\Cn(nnc2[N+](=O)[O-])n2)c3nonc3N,0.0
53382,CO-ADD:0307144,1.01,c12c([nH]nc1c(cc3OC)cc(c3OC)OC)OC(N)=C(C#N)C2c4c[nH]nc4c5ccc(cc5)F,0.0
53383,CO-ADD:0311979,1.01,c1(cc(ccc1N(CC2)CC(N2C(=O)c3ccccc3F)C)[N+](=O)[O-])[N+](=O)[O-],0.0
53384,CO-ADD:0310786,1.01,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3F,0.0
53385,CO-ADD:0311793,1.01,C(=O)(c1ccc(c(F)c1)F)N(CC2)CCN2C,0.0
53386,CO-ADD:0307326,1.01,C(=C\Nc(ccc(c1C)C)c1)(/C(=O)C2)\C(=O)CC2c3ccc(cc3)C,0.0
53387,CO-ADD:0311653,1.01,c1(Nc(cc2)ccc2Br)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
53388,CO-ADD:0306155,1.01,c1(ccn[nH]1)C(NCCO)=O,0.0
53389,CO-ADD:0307292,1.01,c1(scc(c(ccc(c2F)F)c2)n1)NC(=O)c3cccc(F)c3F,0.0
53390,CO-ADD:0306936,1.01,c12c(n(c(SCc(nc(N)nc3N(CC4)CCO4)n3)n1)C)C(N(C)C(=O)N2C)=O,0.0
53391,CO-ADD:0256658,1.01,C1(C(=O)OC(C)CC)=C(C)NC(NC1c(cc2OC)cc(c2O)Br)=O,0.0
53392,CO-ADD:0311826,1.01,c(c1c(cc2)ccn2)(C3c(cc(OCC)c(c4[N+](=O)[O-])OC(=O)N(CC5)CCO5)c4)c([nH]n1)OC(N)=C3C#N,0.0
53393,CO-ADD:0307082,1.01,C(F)(F)(F)c(cc1)ccc1C(=O)Nc2cccc(cccc3)c23,0.0
53394,CO-ADD:0256460,1.01,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)N\N=C(/C)\c2cccs2)c3c(OC)ccc(Cl)c3,0.0
53395,CO-ADD:0312250,1.01,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(C)o4,0.0
53396,CO-ADD:0256011,1.01,c1(NC(=O)c2ccc(cc2)F)sc(c(C)c1C#N)C,0.0
53397,CO-ADD:0306143,1.01,N1C(C)(O)C(OC1=O)(C)CC\C=C(\C)/C,0.0
53398,CO-ADD:0253343,1.01,n1(nnc(C(=O)N\N=C\c2ccc(cc2Cl)Cl)c1CN3CCCC3)c4nonc4N,0.0
53399,CO-ADD:0249936,1.01,C(/CC1)(=C/c2ccccc2Cl)\C(=O)\C(\C1)=C\c3ccccc3Cl,0.0
53400,CO-ADD:0256395,1.01,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\c3ccc4c(c(ccc5)CC4)c35)o2,0.0
53401,CO-ADD:0253416,1.01,C(C(OCC)=O)(=C1C)\C(=C\c2cccs2)\C(N1c3ccccc3)=O,0.0
53402,CO-ADD:0307202,1.01,c1(c(CC(Cl)(Cl)Cl)c(n2c3ccc(cc3)OC(F)(F)F)C)c2CC(C)(C)CC1=O,0.0
53403,CO-ADD:0312040,1.01,N1(c2c(cccc2)Sc(ccc(c3)C(F)(F)F)c13)C(=O)CN(C)CCN(C)C.Cl,0.0
53404,CO-ADD:0256137,1.01,c(CN1CCC(CC1)C)(cc(Cl)c(c23)cccn2)c3O,0.0
53405,CO-ADD:0255970,1.01,[N+](=O)([O-])c1cccc(c1)\C(\C)=N/NC(=O)c2ccc(cc2)F,0.0
53406,CO-ADD:0311122,1.01,N1(C(C)=O)c2c(cccc2)CCc(ccc(c3)NC(CCC4CCCC4)=O)c13,0.0
53407,CO-ADD:0249910,1.01,C(/S\C(\C1=O)=C/c(cc(OCO2)c2c3)c3Br)(=N\C(C)=O)\N1,0.0
53408,CO-ADD:0250067,1.01,S(=O)(=O)(N(c1ccccc1)CC(=O)NC(C)(C)C)c2ccccc2[N+](=O)[O-],0.0
53409,CO-ADD:0256522,1.01,c1(N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
53410,CO-ADD:0248064,1.01,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2[N+](=O)[O-])CC(=O)N\N=C(\c3c(N4)ccc(Br)c3)/C4=O,0.0
53411,CO-ADD:0320254,1.01,c(C(=O)c1ccc(cc1Cl)Cl)(sc(c23)nc(c(Cl)c2C)C)c3N,0.0
53412,CO-ADD:0252579,1.01,C1(C)(\C(\C2)=N/Nc3ncc(c(ccc(c4Cl)Cl)c4)s3)C(C)(C)C2CC1,0.0
53413,CO-ADD:0255233,1.01,N1(c2cccc(OCC)c2)C(=O)C(CC1=O)S\C(\NCC)=N\CC,0.0
53414,CO-ADD:0247948,1.01,C(F)(F)(C(F)F)Oc(cc1)ccc1NC(=O)c2ccc(c(OC)c2)OC,0.0
53415,CO-ADD:0248939,1.01,N1(C(=O)CCC1=O)c2cccc(C)n2,0.0
53416,CO-ADD:0324767,1.01,C(C(=O)c1ccc(cc1)OC)(C2c3cccc(F)c3)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
53417,CO-ADD:0254355,1.01,c1(Nc2ccccc2)nc(N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])nc(NC)n1.CC(=O)O,0.0
53418,CO-ADD:0321540,1.01,c12c(C(c3ccccc3)SCC(=O)N1)c(nn2c4ccccc4)C,0.0
53419,CO-ADD:0255004,1.01,C(C#N)(C1c(cc2)ccc2N(C)C)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
53420,CO-ADD:0247739,1.01,c1(cc(ccc1[N+](=O)[O-])NC(=O)C(C)(C)OC(CCC)=O)C(F)(F)F,0.0
53421,CO-ADD:0252781,1.01,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cc4)ccc4C,0.0
53422,CO-ADD:0254501,1.01,c12c(c3c(cccc3)OC1=O)nc(c4ccc(cc4)Cl)nc2NC(C)=O,0.0
53423,CO-ADD:0254594,1.01,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(=O)N\N=C(\C3)/CCCCCCCCCC3,0.0
53424,CO-ADD:0320631,1.01,[nH]1c(cccc2)c2c(CCNC(COc(cc3)ccc3F)=O)c1C,0.0
53425,CO-ADD:0247633,1.01,[n+]1(CCO)c(c2ccc(cc2)Br)csc1Nc3ccccc3.[Br-],0.0
53426,CO-ADD:0319754,1.01,c1(C2c3cc(Cl)cc(Cl)c3OC)c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
53427,CO-ADD:0248101,1.01,N1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(C(c3ccccc3)C1=O)=O,0.0
53428,CO-ADD:0319042,1.0,N1(CC(=O)Nc(cc2)c(Br)cc2[N+](=O)[O-])C(=O)c3c(cccc3)C1=O,0.0
53429,CO-ADD:0321378,1.0,n1(CC2=O)c(c(c(C)c1C)ccc3)c3N2CCN(CC)CC,0.0
53430,CO-ADD:0252944,1.0,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CSc2ccccn2)=O,0.0
53431,CO-ADD:0250410,1.0,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(cc3)ccc3SC,0.0
53432,CO-ADD:0312005,1.0,C1(=Cc2c(OC1=O)ccc(OC)c2)c3csc(Nc(cc4)ccc4Cl)n3,0.0
53433,CO-ADD:0311000,1.0,C12(OC(C)=O)C(CC(C)O1)=C(c(ccc(OCc3ccccc3)c4)c4O2)C,0.0
53434,CO-ADD:0311166,1.0,c1(NC(=O)c(ccc(c2Cl)Cl)c2)sc(c3c1C(OC)=O)CCCC3,0.0
53435,CO-ADD:0253160,1.0,S(=O)(=O)(N1CCCC1)c(ccc(c2C(=O)NC3CCCCC3)Cl)c2,0.0
53436,CO-ADD:0253168,1.0,S(=O)(=O)(N1CCCC1)c(ccc(c2C(=O)Nc(cc3)ccc3Br)Cl)c2,0.0
53437,CO-ADD:0310985,1.0,c12c(n(cn1)CCCN)C(N(C)C(=O)N2C)=O.Cl,0.0
53438,CO-ADD:0310969,1.0,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccco1)Nc2sc(c(C)c2C(OCC)=O)c3ccccc3,0.0
53439,CO-ADD:0307472,1.0,C(C(OC)=O)(C1c(cc2)ccc2C(OC)=O)=CN(C=C1C(OC)=O)C(C)c3ccccc3,0.0
53440,CO-ADD:0311767,1.0,C(=N\c(cc1)ccc1OC(F)(F)Cl)(/SC(C(=O)Nc(cc2)ccc2C(OC)=O)CC3=O)\N3CCc4ccccc4,0.0
53441,CO-ADD:0311759,1.0,C(=N/c1ccccc1OC)(/SC(C(NCCc2ccccc2)=O)CC3=O)\N3C,0.0
53442,CO-ADD:0312407,1.0,C1(C(F)(F)F)(C(F)(F)F)N=C(C=CC=C2C)N2C(c3ccc(cc3)C)=N1,0.0
53443,CO-ADD:0312363,1.0,c1(C2c(cc3)ccc3C(OC)=O)c([nH]nc1c4ccc(cc4)F)OC(N)=C2C#N,0.0
53444,CO-ADD:0256092,1.0,c1(N(C)C)nc(N\N=C\c(ccc(c2OC)OCC)c2)nc(NCc3ccccc3)n1.Cl,0.0
53445,CO-ADD:0307617,1.0,c1(ccc(cc1Cl)Cl)C(=O)N(CC2)CCN2c3ccc(cc3F)C(CCC)=O,0.0
53446,CO-ADD:0306844,1.0,c1(n(CCCc(nc2N)nc(n2)N)c3c(cccc3)n1)c4nonc4N,0.0
53447,CO-ADD:0249922,1.0,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cccc(OC)c4OCc5ccc(cc5Cl)Cl,0.0
53448,CO-ADD:0256423,1.0,C1(c2ccccc2Br)=NNC(=S)N1CC,0.0
53449,CO-ADD:0256719,1.0,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(=O)NCc5ccccc5)c3)sc6c(ccc(OCC)c6)n1,0.0
53450,CO-ADD:0255567,1.0,c1(NC(=O)c(cc2)ccc2[N+](=O)[O-])n(c3ccccc3)ncc1C(=O)N(CC4)CCO4,0.0
53451,CO-ADD:0256919,1.0,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(cc4OC)cc(c4O)Cl,0.0
53452,CO-ADD:0250278,1.0,N1(c(cc2)c(OC1=O)cc2S(=O)(=O)Nc(cc3)ccc3F)C(=O)Oc4ccccc4,0.0
53453,CO-ADD:0256747,1.0,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3cccc(OC)c3O,0.0
53454,CO-ADD:0256716,1.0,c1(cc(OC)ccc1NC(CSc2sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n2)=O)[N+](=O)[O-],0.0
53455,CO-ADD:0311007,1.0,C1(NCCc(cc(c(OC)c2)OC)c12)c3c(cccc3F)Cl.Cl,0.0
53456,CO-ADD:0253266,1.0,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(cc3)cc(c3Oc4ccc(cc4[N+](=O)[O-])C(F)(F)F)OC)\N2c5ccccc5,0.0
53457,CO-ADD:0256745,1.0,n1(CC(=O)OCC(c2ccccc2)=O)nnnc1N,0.0
53458,CO-ADD:0305718,1.0,S(=O)(=O)(NC(CCC)C(O)=O)c1cccc(nsn2)c12,0.0
53459,CO-ADD:0307369,1.0,c1(c(C)non1)NC(=O)c2cccs2,0.0
53460,CO-ADD:0256532,1.0,S(c1ccccc1)(=O)(=O)NC(C(Cl)(Cl)Cl)c2ccc(c3c2cccc3N(C)C)N(C)C,0.0
53461,CO-ADD:0320349,1.0,c1(c(C)nn2c3ccc(cc3)OC(F)(F)Cl)c2CC(C)(C)CC1=O,0.0
53462,CO-ADD:0255330,0.99,[N+]1([O-])=C2C(C(CCCC3)C13N(CC4)CCO4)(O)\C(\CCC2)=N/O,0.0
53463,CO-ADD:0257015,0.99,N1(c2ccc(cc2)Br)C(c3ccc(cc3)OCC(C)C)Nc(c4C1=O)cccc4,0.0
53464,CO-ADD:0247402,0.99,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c(cccn3)c3,0.0
53465,CO-ADD:0320029,0.99,c1(NC(=O)C(OC)(F)C(F)(F)F)c(c2ccccc2)nc(cccc3)n13,0.0
53466,CO-ADD:0247378,0.99,c1(sc(c(ccc2C(OCC)=O)n1)c2)NC(=O)c(cc3)ccc3N4C(=O)CCC4=O,0.0
53467,CO-ADD:0247950,0.99,c1(n[nH]c(NC(C)=O)n1)S(C)(=O)=O,0.0
53468,CO-ADD:0321477,0.99,c(N(CC(CC1C(N23)=CC=CC2=O)C3)C1)(nc(N4CCCC4)nc5N6CCCC6)n5,0.0
53469,CO-ADD:0249295,0.99,C1(Cl)(Cl)C(C1CC2)CCC3C2C3C(=O)Nc4cccc(OC)c4,0.0
53470,CO-ADD:0249420,0.99,c1(NC(c2ccccc2)=O)n(c3ccccc3)ncc1C(=O)N(CC4)CCO4,0.0
53471,CO-ADD:0321078,0.99,n12c(cccc1Cl)nnc2c(cccc3[N+](=O)[O-])c3,0.0
53472,CO-ADD:0323115,0.99,N1(c2ccc(cc2)Cl)C(=O)C(N(CCOC(CC(CC3C4)CC45)(C5)C3)C1=S)CC(=O)Nc(cc6)ccc6OCCC,0.0
53473,CO-ADD:0324515,0.99,c1(C#N)c(C)c2c(nc1SCC(=O)c3ccc(cc3)F)CCCC2,0.0
53474,CO-ADD:0319790,0.99,c1(NC(=O)c2ccc(c(OC)c2)OC)sc(c3c1C(OCC)=O)CCCCC3,0.0
53475,CO-ADD:0319655,0.99,c1(nc(c2n1CC(CCCC)CC)cccc2)c3nonc3N,0.0
53476,CO-ADD:0320063,0.99,[n+](C)(c(cccc1)c1cc2c3ccc(c4n3)cccc4[N+](=O)[O-])c2.[I-],0.0
53477,CO-ADD:0320538,0.99,c12c(CCNC1c3c(C)cc(c(C)c3)C)cc(c(OCC)c2)OCC,0.0
53478,CO-ADD:0247672,0.99,c1(c(Cl)cc(cc1Cl)Cl)NC(=S)NC(=O)\C=C\c2ccccc2,0.0
53479,CO-ADD:0252770,0.99,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c4ccc(cc4OC)OC,0.0
53480,CO-ADD:0323383,0.99,N1(CC(O)c2ccccc2)C(C)(O)C(OC1=O)(CC3(C)C)CC(N3)(C)C,0.0
53481,CO-ADD:0249376,0.99,C(=O)(N(CC1)CCN1c2ccc(cc2)F)c3ccccc3Br,0.0
53482,CO-ADD:0247964,0.99,C(=C\c(cc1)ccc1N(CC)CC)(/C2=O)\C(N(CC3)CCO3)=NN2c(cc4)ccc4[N+](=O)[O-],0.0
53483,CO-ADD:0255084,0.99,n(c(cc(n1)OC)NC(COc(cc2)ccc2F)=O)c1OC,0.0
53484,CO-ADD:0248941,0.99,N#Cc1ccccc1OCC(CCC(OC)=O)=O,0.0
53485,CO-ADD:0323765,0.99,N1(c(cc2)ccc2N3C(=O)C(C4C3=O)C(C)(CC5=O)CC45C)C(=O)C(C6C1=O)C(C)(CC7=O)CC67C,0.0
53486,CO-ADD:0323678,0.99,c12n(c(cc(C)n1)C)nc(SCc3ccccc3Cl)n2,0.0
53487,CO-ADD:0323654,0.99,N1(N=C(S2)SCC(=O)Nc(cc3)ccc3Br)C2=NN=C(C(C)(C)C)C1=O,0.0
53488,CO-ADD:0323670,0.99,c1(N(CC2)CCO2)nc(OCC)nc(Cl)n1,0.0
53489,CO-ADD:0252748,0.99,C1(c2c(cccc2)C(c(cc(C=O)cc3)c13)C4C#N)C4C#N,0.0
53490,CO-ADD:0255229,0.99,N1(c2cccc(OCC)c2)C(=O)C(CC1=O)S\C(\NCc(cc3)ccc3OC)=N\c4ccccc4,0.0
53491,CO-ADD:0323942,0.99,S(=O)(=O)(N(C)C)c(c(C)ccc1C(c(cccc2)c2C(N3CC(NCCc(ccc(c4OCC)OCC)c4)=O)=O)=N3)c1,0.0
53492,CO-ADD:0250364,0.99,C(=N\c1ccc(cc1C)C)(/S\C(\C2=O)=C\c(ccc3c(cc4)c(OC)cc4[N+](=O)[O-])o3)\N2,0.0
53493,CO-ADD:0307385,0.99,N1(CC2NCCc(cccc3)c23)C(=O)c(c4C1=O)cccc4,0.0
53494,CO-ADD:0255992,0.99,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2ccccc2)n3c(c4c(cc3)cccc4)c1S(CCC)(=O)=O,0.0
53495,CO-ADD:0307318,0.99,C12=C(CC(c3ccc(cc3)F)CC1=O)Nc(c4NC2c5cccs5)cccc4,0.0
53496,CO-ADD:0311241,0.99,N(c1ccc(cn1)Br)C(COc(cc2)ccc2Cl)=O,0.0
53497,CO-ADD:0312453,0.99,c1(N(CC2)CCO2)nc(NCc3ccccc3)nc(Nc(cc4)ccc4OC(F)(F)F)n1,0.0
53498,CO-ADD:0311526,0.99,C1(C2)(CC(CC=C1Oc3ccccc3)(CN2CC)[N+](=O)[O-])[N+](=O)[O-],0.0
53499,CO-ADD:0311389,0.99,C(/C(=O)NCc1ccccc1C(F)(F)F)(\NC(c2ccccc2)=O)=C/c3ccc(C)o3,0.0
53500,CO-ADD:0253868,0.98,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)Nc(ccc(c23)OCO2)c3)c4c(OC)ccc(Cl)c4,0.0
53501,CO-ADD:0306836,0.98,C(C(OCCOC(C)C)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3Br,0.0
53502,CO-ADD:0306141,0.98,N(c1ccccc1)(C(c2ccc(c(OC)c2)OC)C=C3Nc4ccccc4)C3=O,0.0
53503,CO-ADD:0253892,0.98,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Cl)n1,0.0
53504,CO-ADD:0250503,0.98,N1(C)C(=O)\C(\SC1=S)=C\c2c(C)cc(cc2C)C,0.0
53505,CO-ADD:0255544,0.98,N(=C(\C)/c1ccc(c2c1)cccc2)/NC(=O)c3cccc(Cl)c3,0.0
53506,CO-ADD:0253780,0.98,c12c(c3c(cccc3)[nH]1)nnc(SCc(cc4)ccc4F)n2,0.0
53507,CO-ADD:0256111,0.98,c1(N(CC2)CCO2)nc(N\N=C/c(c(F)ccc3[N+](=O)[O-])c3)nc(Nc4cc(C)ccc4C)n1.Cl,0.0
53508,CO-ADD:0311555,0.98,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(c(OC)c4)OC)c5ccccc5,0.0
53509,CO-ADD:0255315,0.98,C(=N)(N(CC1)CCO1)\C(\C#N)=N\Nc2ccccc2,0.0
53510,CO-ADD:0253972,0.98,n1(c2ccccc2)c(SCC(=O)N(CC3)CCO3)nnc1c4cccc(OC)c4,0.0
53511,CO-ADD:0307409,0.98,C1(c2cc(Br)ccc2F)c3c(CCN1C(CCl)=O)cc(OC)c(OC)c3,0.0
53512,CO-ADD:0312356,0.98,C1(C2c3ccc(cc3)OCc4ccccc4F)=C(CCCC1=O)c5c(ccc(cccc6)c56)N2,0.0
53513,CO-ADD:0307093,0.98,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccc(cc3)F)N(CC4)CCO4)[N+](=O)[O-],0.0
53514,CO-ADD:0307627,0.98,N1(c(cccc2)c2\C(=N\NC(=S)Nc3ccccc3C)\C1=O)CN4CCCCC4C,0.0
53515,CO-ADD:0255545,0.98,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)N1)=C\c(cc3)ccc3F,0.0
53516,CO-ADD:0250190,0.98,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
53517,CO-ADD:0250167,0.98,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(=O)NCc(cc3)ccc3Cl,0.0
53518,CO-ADD:0256832,0.98,C(=O)(c(cc1)ccc1C(=O)Nc(cc2)ccc2C(C)=O)N(C3CCCCC3)C4CCCCC4,0.0
53519,CO-ADD:0256552,0.98,N1(c(cc2)cc(c2C(O)=O)Cl)C(=O)c(c3C1=O)ccc(C(O)=O)c3.CC(=O)O,0.0
53520,CO-ADD:0256898,0.98,c1(C#N)c(SCc(ccc2C(OC)=O)o2)nsc1SCc(ccc3C(OC)=O)o3,0.0
53521,CO-ADD:0320339,0.98,n(c(NCC(O)=O)cc(n1)F)c1F,0.0
53522,CO-ADD:0320219,0.98,C1(C2c3ccc(cc3)SC)=C(CCCC1=O)Nc(ccc4c5ccc(n4)C)c25,0.0
53523,CO-ADD:0323672,0.98,c1(C#N)c(COC)cc(nc1SCc(ccc(c2OCC)OCC)c2)C,0.0
53524,CO-ADD:0248985,0.98,C1(C#N)=C(c2ccc(cc2)OC)C=C(c3ccc(cc3)C)NC1=S,0.0
53525,CO-ADD:0249429,0.98,C(C(=O)OCc1ccccc1)(C2c(cc3)ccc3[N+](=O)[O-])=C(C)NC(CCCC4=O)=C24,0.0
53526,CO-ADD:0249779,0.98,N12c(c(C3C(CCC3)C1)c4)c(C5C(CCC5)C2)cc4NC(=O)Cc6cccc(cccc7)c67,0.0
53527,CO-ADD:0252830,0.98,[N+](=O)([O-])c1cccc2c1cccc2NC(CC(C3)CC3)=O,0.0
53528,CO-ADD:0324803,0.98,S(=O)(=O)(c(cc1)ccc1C(=O)NC(CC)C23CC(CC(C4)C2)CC4C3)N(CC5)CCO5,0.0
53529,CO-ADD:0321257,0.98,C(=N\c(cc1)ccc1C(OCC)=O)(/SC(C(NC)=O)CC2=O)\N2CCC(C3)(C4)CC(C5)CC3CC45,0.0
53530,CO-ADD:0319313,0.98,n1c2c([nH]c1C=O)cccc2,0.0
53531,CO-ADD:0321202,0.98,c1(C2OCCS2)c3c(n(c4ccccc4)n1)cc(cc3SC5CCCCC5)[N+](=O)[O-],0.0
53532,CO-ADD:0320170,0.98,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c4ccc(cc4C(O)=O)Cl)o3,0.0
53533,CO-ADD:0320539,0.98,C1(c2ccccc2)(CC1)NC(=O)Nc(cc3OC)cc(c3OC)OC,0.0
53534,CO-ADD:0320404,0.98,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCCc(ccc(c3OCC)OCC)c3,0.0
53535,CO-ADD:0319932,0.98,C12=C(CC(C)(C)CC1=O)Nc(c3C2c4cc(Cl)cc(COCO5)c45)ccc(cccc6)c36,0.0
53536,CO-ADD:0247720,0.98,c1(nc(cccc2)c2c3\N=C(/c4ccccc4)\N(C)C)c3CCN1c5ccccc5,0.0
53537,CO-ADD:0249409,0.98,N1(c2cccc(C)c2)N=NNC1=S,0.0
53538,CO-ADD:0254677,0.98,c(C#N)(c(\C(\C#N)=C\c(ccc1c2ccccc2Cl)o1)nn3c4ccccc4)c3N,0.0
53539,CO-ADD:0324376,0.98,N(CC1)(CCN1CCC(=O)Nc(ccc(c2Br)C)c2)c3ccccc3C.Cl,0.0
53540,CO-ADD:0254362,0.98,c1([nH]c(c2n1)cccc2)\C(\C#N)=C/c(cc3OC)cc(c3OCC#N)Br.Cl,0.0
53541,CO-ADD:0324400,0.98,N1(CC2c3c(cccc3)CCN2C(=O)COc4ccc(cc4Cl)Cl)C(=O)c(c5C1=O)cccc5,0.0
53542,CO-ADD:0324576,0.98,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3F)\NC(c4ccccc4)=O)c1C,0.0
53543,CO-ADD:0252606,0.98,N1(c2ccccc2C)C(=O)C(C(C1=O)C3(CCl)c(c45)cccc4)C5(CCl)c6c3cccc6,0.0
53544,CO-ADD:0324849,0.98,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OCC)OCc(cc4)ccc4F)c3)\C2=N,0.0
53545,CO-ADD:0255206,0.98,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)OC)c4sc(c5c4C#N)CCCCC5,0.0
53546,CO-ADD:0247420,0.98,c1(N(CC2)CCO2)nc(Oc3ccccc3)nc(Nc(cc4)ccc4Cl)n1,0.0
53547,CO-ADD:0252593,0.98,c1(C2c(cc3)ccc3N(CC)CC)c(CC(C(O)=O)N2)c4c(cccc4)[nH]1,0.0
53548,CO-ADD:0321031,0.98,C1(c2ccccc2)(CC1)NC(=O)N(CC3)CCN3c4ccccc4,0.0
53549,CO-ADD:0255230,0.98,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)S\C(\NCCc(cc3)ccc3OC)=N\c4ccccc4,0.0
53550,CO-ADD:0250460,0.98,C(=C/c(cc1OC)cc(c1OCc2ccccc2Cl)I)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
53551,CO-ADD:0250068,0.98,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(=O)NC(C)(C)C,0.0
53552,CO-ADD:0307445,0.98,C(=O)(NC(NCCCC)=O)c1c(C)cc(nc1Cl)Cl,0.0
53553,CO-ADD:0253907,0.98,N1(CN(CC2C)CC(O2)C)c(cccc3)c3\C(=N/c(ccc(c4Cl)Cl)c4)\C1=O,0.0
53554,CO-ADD:0306886,0.97,c(c1c(cc2)ccn2)(C3c4ccc(c(OC)c4)O)c([nH]n1)OC(N)=C3C#N,0.0
53555,CO-ADD:0250045,0.97,n1(nnc(C(OC)=O)c1CSc2[nH]c(c3n2)cccc3)c4nonc4N,0.0
53556,CO-ADD:0311768,0.97,C(=N/c(cc1)ccc1OC(F)(Cl)F)(/SC(C(=O)Nc(ccc(c2Cl)C)c2)CC3=O)\N3CCc4ccccc4,0.0
53557,CO-ADD:0305646,0.97,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(C)c3)C2c4ccccc4,0.0
53558,CO-ADD:0306332,0.97,S(NC)(=O)(=O)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4OC(F)(F)Cl)c1,0.0
53559,CO-ADD:0312273,0.97,n1(c2ccccc2)c(SCC(=O)NCc3ccccc3)nnc1c4cccc(F)c4,0.0
53560,CO-ADD:0255341,0.97,N1(c(cccc2C(F)(F)F)c2)C(=O)C3C(C1=O)C4(C(=O)C3(CC)C(=C4c5ccccc5)c6ccccc6)CC,0.0
53561,CO-ADD:0312295,0.97,c1(SCc(cc2)ccc2F)[nH]c(c3n1)ccc(OC)c3,0.0
53562,CO-ADD:0250595,0.97,[N+](=O)([O-])c1c(NCCNC(=O)c2occc2C)ccc(Cl)c1,0.0
53563,CO-ADD:0255577,0.97,S1(=O)(=NC(=O)C(Cl)(Cl)Cl)OC(N2CCCCC2)=NC(C(Cl)(Cl)Cl)=N1,0.0
53564,CO-ADD:0311472,0.97,c12c(n(cn1)CCCC#N)C(N(C)C(=O)N2C)=O,0.0
53565,CO-ADD:0257169,0.97,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cc(OC)ccc2OC,0.0
53566,CO-ADD:0312449,0.97,c1(N2CCCCC2)nc(OC)nc(Nc(cc3)ccc3OC(F)(F)F)n1,0.0
53567,CO-ADD:0256354,0.97,c12c(non1)nc(Nc(cc3)ccc3Br)c(N\N=C\c(ccc4c(ccc(c5C(O)=O)O)c5)o4)n2,0.0
53568,CO-ADD:0256674,0.97,C1(C(=O)OC2CCCCC2)=C(C)NC(=O)NC1c3ccc(cc3)CC,0.0
53569,CO-ADD:0257107,0.97,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
53570,CO-ADD:0311695,0.97,S1(=O)(=O)c2c(c3N1CC(=O)NC(C)(C)C)c(ccc2)ccc3,0.0
53571,CO-ADD:0253341,0.97,C(/CC(=O)c1cccs1)(=N\NC(Cc(cc2)ccc2[N+](=O)[O-])=O)\C(F)(F)F,0.0
53572,CO-ADD:0307394,0.97,c1(N(CC2)CCO2)nc(NC(C)C)nc(Nc(cc3)ccc3OC(F)(F)Cl)n1,0.0
53573,CO-ADD:0253653,0.97,c1(N\N=C\c(ccc2c3ccc(cc3)Cl)o2)[nH]c(c4n1)cccc4,0.0
53574,CO-ADD:0306897,0.97,C12(C(=O)Nc(ccc(C)c3Br)c13)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)OC)c24,0.0
53575,CO-ADD:0312172,0.97,S(=O)(=O)(NCC(c1ccccc1)CC(O)=O)c2cccc(nsn3)c23,0.0
53576,CO-ADD:0307325,0.97,C(C(=O)C1)=C(NCC(C)C)CC1c2ccco2,0.0
53577,CO-ADD:0256792,0.97,C(F)(F)(F)c(ccc(c1NC(=O)c2ccc(cc2)F)Oc(cc3)ccc3Cl)c1,0.0
53578,CO-ADD:0250407,0.97,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5Br)cc(c5OCc(cc6)ccc6C)Br,0.0
53579,CO-ADD:0253428,0.97,c1(SCc(cc2)ccc2OC)sc3c(ccc(OCC)c3)n1,0.0
53580,CO-ADD:0252899,0.97,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc4ccccc4)c2)[nH]c(c5n1)cccc5,0.0
53581,CO-ADD:0252214,0.97,[N+](=O)([O-])c1cccc(\C=N\NC(=O)c2cccc(F)c2)c1O,0.0
53582,CO-ADD:0254941,0.97,C(=O)(N\N=C\c1cccc(OC)c1O)c2ccc(cc2)OCC,0.0
53583,CO-ADD:0323616,0.97,C(NCC(C1)(CC(CC12)CC3C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4cccc(Cl)c4,0.0
53584,CO-ADD:0249515,0.97,N(c1ccc(cc1[N+](=O)[O-])OC)(C(=O)C(C23)C(C=C4)OC24C(OC(C)=O)OC(C)=O)C3=O,0.0
53585,CO-ADD:0323263,0.97,N1(CCCCCC(NCCc(c2C)c(ccc(c3Cl)Cl)c3[nH]2)=O)C(=O)c4c(cccc4)C1=O,0.0
53586,CO-ADD:0323585,0.97,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc4ccccc4OCCCC,0.0
53587,CO-ADD:0323344,0.97,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCC(C4)(C5)CC(CC5C6)CC46)c7ccc(cc7)Br,0.0
53588,CO-ADD:0321554,0.97,n(cnn1)(C(c2c(cccc2)CC34CCCCC3)=C4C(N5c6cccc(C)c6)=O)c15,0.0
53589,CO-ADD:0321341,0.96,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)ccc3OCc4ccccc4F)\C2=N,0.0
53590,CO-ADD:0324565,0.96,C(=N\c(cc1)ccc1Cl)(/SC(C(=O)Nc(cc2)ccc2OC)CC3=O)\N3CCC(C4)(CC5CC4CC6C5)C6,0.0
53591,CO-ADD:0324360,0.96,N1(CC(=O)NC(CC2(C)C)CC(N2)(C)C)C(=O)c3c(C(C)=N1)cccc3,0.0
53592,CO-ADD:0324857,0.96,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc3c4cccc(Cl)c4)o3)\C1=N,0.0
53593,CO-ADD:0320517,0.96,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(ccc(c56)OCO5)c6)c2,0.0
53594,CO-ADD:0249672,0.96,c1(cc(F)c(cc1Cl)F)C(=O)Oc2ccc(cc2OC)\C=N/NC(N)=O,0.0
53595,CO-ADD:0249652,0.96,c(C#N)(c(\C(\C#N)=C\c(c(cccc1)c1n2Cc(cc3)ccc3Cl)c2)nn4c5ccccc5)c4N,0.0
53596,CO-ADD:0247523,0.96,N1(\N=C\c(cc2)ccc2N(C)C)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
53597,CO-ADD:0249694,0.96,S1(=O)(=O)c(cccc2)c2C(N(C)c3ccc(cc3)OC(=O)c4ccccc4F)=N1,0.0
53598,CO-ADD:0255132,0.96,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(NCCc(ccc(c4OC)OC)c4)=O,0.0
53599,CO-ADD:0324132,0.96,S(=O)(=O)(c(cc1)ccc1C(C)C)N(CC2)C(C)CN2S(=O)(=O)c(cc3)ccc3C(C)C,0.0
53600,CO-ADD:0249492,0.96,C(=O)(N\N=C\c(cccc1Oc2ccccc2)c1)c3ccc(cc3)Cl,0.0
53601,CO-ADD:0324833,0.96,n1c(N)cc(nc1SCCCN(C)C)C,0.0
53602,CO-ADD:0324337,0.96,S(=O)(=O)(NC(C)(C)C)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4OC(F)(F)F)c1,0.0
53603,CO-ADD:0247879,0.96,C(=O)(c1ccc(cc1)NC(=O)C(C)(C)C)Nc2ccccc2OC,0.0
53604,CO-ADD:0250095,0.96,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
53605,CO-ADD:0253261,0.96,N1(C(=O)c2ccc(cc2)C)C(O)(c3ccc(cc3)CC)CC(C(F)(F)F)=N1,0.0
53606,CO-ADD:0255752,0.96,C1(C(OCCC)=O)=C(C)NC(NC1c2cc(OC)ccc2OC)=O,0.0
53607,CO-ADD:0253500,0.96,N1(CCc2ccccc2)C(=C)C3(OC1=O)CCCCC3,0.0
53608,CO-ADD:0253188,0.96,c1c(O)c(\C=N\NC(CCCOc2ccc(cc2Cl)Cl)=O)ccc1N(CC)CC,0.0
53609,CO-ADD:0255708,0.96,C1(=NCC(C)S1)N(Cc2ccccc2Cl)C(=O)Nc3cccc(Cl)c3,0.0
53610,CO-ADD:0305583,0.96,C(c1ccccc1)(C=C)Oc(cc2)ccc2C=O,0.0
53611,CO-ADD:0307336,0.96,N(c1c(cccc1)NC(CC(C)(C)CC2=O)=C23)(C3c4ccccc4Cl)C(=O)NS(=O)(=O)c5ccc(cc5)C,0.0
53612,CO-ADD:0311966,0.96,C(=O)(N(CC1)CCN1c2ccc(cc2)OC)c(c3)cc(cn3)Br,0.0
53613,CO-ADD:0307174,0.96,n1c(c2)c(cn1c3ccc(cc3)OC)ccc2[N+](=O)[O-],0.0
53614,CO-ADD:0307530,0.96,N(C(c1ccccc1)=O)C(=S)NC(C)(CO)CO,0.0
53615,CO-ADD:0256797,0.96,S1(=O)(=O)c(cccc2)c2C(NCCCC)=N1,0.0
53616,CO-ADD:0253552,0.96,N1(CCN)C(=O)\C(\SC1=O)=C\c(ccc(c2OC)OC)c2,0.0
53617,CO-ADD:0312432,0.96,N1(CCCC(=O)Nc(cccc2C(O)=O)c2)C(=O)c(c3C1=O)cccc3,0.0
53618,CO-ADD:0312378,0.96,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OC)c4)OC,0.0
53619,CO-ADD:0250714,0.96,S(=O)(=O)(N1CCCCCC1)c2c(C)ccc(c2)C(=O)Nc(cc3)ccc3F,0.0
53620,CO-ADD:0311037,0.96,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3ccccc3OC,0.0
53621,CO-ADD:0253625,0.96,N1(c2ccccc2)C(=O)c3c(cc(cc3)NC(=O)c4ccccc4Cl)C1=O,0.0
53622,CO-ADD:0256851,0.96,c1(NC(=S)NC(=O)c2ccc(cc2)Br)nnc(Cc3ccccc3)s1,0.0
53623,CO-ADD:0310876,0.96,c1(C(NCCNc2ccc(cc2C(F)(F)F)[N+](=O)[O-])=O)nonc1N,0.0
53624,CO-ADD:0256997,0.96,S(=O)(=O)(N(CCC)CCC)c(cc1)ccc1C(NCCOc(cc2)ccc2Cl)=O,0.0
53625,CO-ADD:0306170,0.96,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Nc(cc4)ccc4OC(F)(F)Cl,0.0
53626,CO-ADD:0256461,0.96,C1(NC(CSc2sc3c(ccc(c3)\N=C\c4c(cccc4Cl)Cl)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
53627,CO-ADD:0311120,0.96,c1(ccccc1SC)C(NCCOc2ccccc2C(C)C)=O,0.0
53628,CO-ADD:0311471,0.96,c1(C(=O)Nc(cc2)ccc2c3csc(C)n3)c(C)nc(c4ccccc4)s1,0.0
53629,CO-ADD:0311239,0.96,C1(NC(=O)c2cc(Cl)ccc2OC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
53630,CO-ADD:0253464,0.96,n1c2c(cccc2)c(cc1N(CC)CC)C,0.0
53631,CO-ADD:0311728,0.96,n(c(ccc(c1)OC)c1cc2C=O)c2Cl,0.0
53632,CO-ADD:0312153,0.96,c12c(nnc(SCC(=O)N(CC3)CCO3)n1)c4c(cccc4)n2CC=C,0.0
53633,CO-ADD:0253325,0.96,S1(=O)NC(c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])=O,0.0
53634,CO-ADD:0253894,0.96,c1(SC)sc2c(ccc(c2)\N=C\c(ccc3Sc4ccccc4)o3)n1,0.0
53635,CO-ADD:0252215,0.96,c1(ccccc1O)C(=O)N\N=C\c(ccc(c2Cl)Cl)c2,0.0
53636,CO-ADD:0247580,0.96,n1(c(C)c(nn1)\C(\C)=N\NC(OCC)=O)c2nonc2N,0.0
53637,CO-ADD:0249092,0.96,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n1,0.0
53638,CO-ADD:0323496,0.96,C(O)(=O)CCSCC(=O)c1ccc(cc1)OC([H])(F)F,0.0
53639,CO-ADD:0247651,0.96,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\N(CC2)CCO2)OC,0.0
53640,CO-ADD:0247758,0.96,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c2ccccc2,0.0
53641,CO-ADD:0323224,0.96,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NC3CCCC3,0.0
53642,CO-ADD:0254577,0.96,N1(c(cc2)ccc2C(C)=O)C(=O)C(C3C1=O)C4C5C(C5)C3C=C4,0.0
53643,CO-ADD:0321302,0.96,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OCC)OCCOc4ccccc4OC)c3)\C2=N,0.0
53644,CO-ADD:0321310,0.96,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)ccc3OCCOc(cc4)ccc4C)\C2=N,0.0
53645,CO-ADD:0319293,0.96,N12C(S\C(=C/c(ccc3c4ccc(cc4F)F)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
53646,CO-ADD:0324588,0.96,C(O)(=O)c1cccc(OCCC)c1,0.0
53647,CO-ADD:0324898,0.95,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc(ccc(c45)OCO4)c5)n2,0.0
53648,CO-ADD:0324475,0.95,c1(oc(c2n1)cccc2)c3c(Cl)ccc(Cl)n3,0.0
53649,CO-ADD:0249383,0.95,N1(c2ccccc2C(OC)=O)C(=O)c3c(cc(cc3)C)C1=O,0.0
53650,CO-ADD:0323974,0.95,S(NCCC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4cccc(cccc5)c45,0.0
53651,CO-ADD:0249145,0.95,P1(CCl)(=O)COCc(cccc2)c12,0.0
53652,CO-ADD:0323894,0.95,C(/c(ccc(c12)cccc1)c2CC3(C)C)(=C\C(=O)c4cccc(C)c4)\N3C,0.0
53653,CO-ADD:0323321,0.95,C1(C2c3ccc(cc3)OC)=C(CC(c4ccccc4)CC1=O)Nc(c5N2C(CCC(O)=O)=O)cccc5,0.0
53654,CO-ADD:0248989,0.95,s1c(c2ccc(cc2)OC)nnc1NC(CCCC)=O,0.0
53655,CO-ADD:0249582,0.95,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)Nc4c(C)cc(cc4C)C)cccc3,0.0
53656,CO-ADD:0252711,0.95,O1C(=O)c(cc2)c(c(ccc3C(=O)Nc(cc4)ccc4[N+](=O)[O-])C1=O)c3c2,0.0
53657,CO-ADD:0321065,0.95,C(C(OC)=O)(=CN(CCC(C1)(C2)CC(CC2CC13)C3)C=C4C(OC)=O)C4c5cccs5,0.0
53658,CO-ADD:0249662,0.95,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3)N(CC)CC)c3OCc(cc4)ccc4Cl,0.0
53659,CO-ADD:0249639,0.95,n1c(N)[nH]nc1c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],0.0
53660,CO-ADD:0321034,0.95,C(=N/c(cc1)ccc1F)(/SC(C(N)=O)CC2=O)\N2CCc(ccc(c3OCC)OCC)c3,0.0
53661,CO-ADD:0255558,0.95,c1(NC(COC(=O)c2ccc(Br)o2)=O)sc3c(ccc(C)c3)n1,0.0
53662,CO-ADD:0255598,0.95,C(=O)(C(NC=O)c1ccc(cc1)Cl)Nc2cccc(Cl)c2,0.0
53663,CO-ADD:0311881,0.95,c1(cc(cc(Br)c1Nc2ccccc2)[N+](=O)[O-])[N+](=O)[O-],0.0
53664,CO-ADD:0255559,0.95,c1(NC(CSC2=NC(C)=CC(=O)N2)=O)sc(c3n1)cccc3,0.0
53665,CO-ADD:0306085,0.95,N1(c(ccc(c2s3)nc3SCC(=O)NC4CCCCC4)c2)C(=O)C5C(C6CC5C=C6)C1=O,0.0
53666,CO-ADD:0311482,0.95,c12c(n(cn1)CC\N=C(/CCC3)\N3C)C(N(C)C(=O)N2C)=O.Cl,0.0
53667,CO-ADD:0307322,0.95,N(c1c(cccc1)NC(CC(c2ccc(cc2)OC)CC3=O)=C34)(C(=O)C(F)(F)F)C4c5cccc(F)c5,0.0
53668,CO-ADD:0305874,0.95,c1(NC(=O)C(C)Oc(ccc(c2C)C)c2)sc(c3c1C(OC)=O)CCCC3,0.0
53669,CO-ADD:0311911,0.95,C1(CC)(c2ccc(cc2Cl)Cl)NN(C(=S)N1)c3ccc(c(C)c3)C,0.0
53670,CO-ADD:0253172,0.95,C(C#N)(C1c(cc2)ccc2N(C)C)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
53671,CO-ADD:0256279,0.95,C12(C#N)C(CC(C)=CC1)(C#N)C(=NC23OCCO3)N,0.0
53672,CO-ADD:0255571,0.95,n1(nnc(C(OCC)=O)c1CSc2cccc(cccn3)c23)c4nonc4N,0.0
53673,CO-ADD:0311532,0.95,n1(\N=C\c(cc2)ccc2Br)c(SCC(=O)Nc(cc3)ccc3C(OC)=O)nnc1C(F)(F)F,0.0
53674,CO-ADD:0312431,0.95,N1(CCCCCC(=O)Nc(cc2)ccc2S(N)(=O)=O)C(=O)c3c(cccc3)C1=O,0.0
53675,CO-ADD:0305676,0.95,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cccc(C)c2)(C(=O)Nc3ccccc3OC)C1c4ccco4,0.0
53676,CO-ADD:0306021,0.95,c1(ccccc1SCC(=O)Nc2ccccc2F)C(O)=O,0.0
53677,CO-ADD:0256743,0.95,c(C#N)(c(\C(\C#N)=C\c1cccn1c(cc2)ccc2[N+](=O)[O-])nn3c4ccccc4)c3N,0.0
53678,CO-ADD:0249885,0.95,N1(c2ccccc2)C(=O)CC(N(Cc3ccco3)C(CC)=O)C1=O,0.0
53679,CO-ADD:0250534,0.95,N1C(CC)(c2ccccc2)NN(c3ccccc3)C1=S,0.0
53680,CO-ADD:0306247,0.95,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(=O)OC(C)C,0.0
53681,CO-ADD:0250147,0.95,C(=O)(N\N=C(\C1)/CCC1)C(=O)Nc2ccc(cc2OC)OC,0.0
53682,CO-ADD:0253596,0.95,c(C#N)(c1c2ccc(cc2)OC)c(\N=C\c(cccc3[N+](=O)[O-])c3)oc1c4ccc(cc4)OC,0.0
53683,CO-ADD:0305553,0.95,[N+](=O)([O-])c1cccc(Cl)c1NCCNC(=O)c2ccc(cc2)C,0.0
53684,CO-ADD:0306966,0.95,N1(CCC2)N2C1c3ccc(cc3)Cl,0.0
53685,CO-ADD:0253701,0.95,C1(C(OCC)=O)=C(C)N(C)C(NC1c2cc(OCO3)c3cc2[N+](=O)[O-])=O,0.0
53686,CO-ADD:0250504,0.95,c12c(ncnc1SCC(=O)c3ccc(c(O)c3)O)[nH]cn2,0.0
53687,CO-ADD:0253326,0.95,C(Sc(cc1)ccc1C)(C(c2ccccc2)C(C#N)C#N)C(c3ccccc3)=O,0.0
53688,CO-ADD:0247376,0.95,c12c(c3c(cccc3)[nH]1)nnc(N\N=C\c4ccccc4C(F)(F)F)n2,0.0
53689,CO-ADD:0252934,0.95,N(CC(=O)NNC(=O)c1ccc(cc1)C)(c(cccc2)c23)c(cccc4)c4C3=O,0.0
53690,CO-ADD:0323232,0.94,S(=O)(=O)(Nc(cc1)ccc1OC)c2ccc(c3c2cccn3)OC,0.0
53691,CO-ADD:0248024,0.94,c1(SCC(=O)N\N=C\c(cc2)ccc2C(OC)=O)sc(c3n1)cccc3,0.0
53692,CO-ADD:0247747,0.94,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4C(C)(C)C)cc(c4O)C(C)(C)C,0.0
53693,CO-ADD:0254965,0.94,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C(\C)/c3ccc(c4c3)cccc4)c5nonc5N,0.0
53694,CO-ADD:0324710,0.94,C1(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2c3ccccc3Cl,0.0
53695,CO-ADD:0324734,0.94,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5ccc(c(OC)c5OC)OC)cccc4,0.0
53696,CO-ADD:0324782,0.94,c1(N(CC2)CCN2C34CC5CC(CC(C5)C3)C4)nc(Nc(cc6)ccc6OC(Cl)(F)F)nc(N(C)C)n1,0.0
53697,CO-ADD:0323897,0.94,c1(C(OC)=O)sc(c2c1NC(C)=O)cc(cc2SCc3ccccc3)[N+](=O)[O-],0.0
53698,CO-ADD:0319054,0.94,c1(C(N)=O)nc(n(CCc2ccccc2)c1N)C,0.0
53699,CO-ADD:0319103,0.94,C(CSc1cccc(cccn2)c12)(=O)N\N=C\c(cc3)ccc3Br,0.0
53700,CO-ADD:0319080,0.94,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc(cc4)ccc4NC(=O)c5ccc(cc5)OC,0.0
53701,CO-ADD:0321084,0.94,N1(C(=O)CSc2nc(c3ccccc3)cc(C(F)(F)F)c2C#N)c4c(cccc4)Sc(ccc(Cl)c5)c15,0.0
53702,CO-ADD:0249011,0.94,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(CSCc2ccccc2Br)=O,0.0
53703,CO-ADD:0247718,0.94,n1c(c2ccc(cc2)Cl)csc1N\N=C(/C)\CCCCCC,0.0
53704,CO-ADD:0248929,0.94,C(=C\c(cc1)ccc1F)(/C(OCC)=O)\NC(c2ccccc2)=O,0.0
53705,CO-ADD:0252766,0.94,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c4c(OC)ccc(cccc5)c45,0.0
53706,CO-ADD:0248990,0.94,s1c(C(C)(C)C)nnc1NC(=O)c2ccc(cc2)OC,0.0
53707,CO-ADD:0249218,0.94,c(c1O)c(ccc1\C=N\c2ccccc2)N(CC)CC,0.0
53708,CO-ADD:0252528,0.94,n1c(c(cccc2[N+](=O)[O-])c2)csc1Nc3c(OC)cc(c(OC)c3)Cl.Br,0.0
53709,CO-ADD:0321050,0.94,c1(C(F)(F)F)c(Cl)nc(c(Cl)c1Nc(cc2)ccc2C)Cl,0.0
53710,CO-ADD:0321074,0.94,C(C(OC)=O)(=CN(CCOC(C1)(CC(CC12)CC3C2)C3)C=C4C(OC)=O)C4c5ccc(cc5)F,0.0
53711,CO-ADD:0249554,0.94,S(=O)(=O)(Nc(cc1)ccc1C(F)(F)F)c(cc(C(C)(C)C)cc2C(C)(C)C)c2,0.0
53712,CO-ADD:0324013,0.94,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2ccc(c(cccc3)c23)OCC,0.0
53713,CO-ADD:0311388,0.94,C(=C\c1ccccc1)(/NC(c2ccccc2)=O)\C(=O)N(CC3)CCN3c4ccccc4OC,0.0
53714,CO-ADD:0324830,0.94,C(=O)(Nc(cc1)ccc1OCC)C(C2CCCO2)CC(O)=O,0.0
53715,CO-ADD:0255919,0.94,C1(C(=O)OC2CCCCCC2)=C(C)NC(NC1c3ccc(c(OCC)c3)O)=O,0.0
53716,CO-ADD:0253175,0.94,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCc(cc3)ccc3OC,0.0
53717,CO-ADD:0253497,0.94,C(C(OC)=O)(C1c2ccc(cc2)Cl)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
53718,CO-ADD:0253273,0.94,N1(c2cccc(c2)C(=O)NCc3ccccc3)C(=O)c4c(cccc4)C1=O,0.0
53719,CO-ADD:0311859,0.94,C(Nc(cc1)ccc1OC(Cl)(F)F)(C(OCC)=O)(C(F)(F)F)NC(=O)c2cccc(Cl)c2,0.0
53720,CO-ADD:0311243,0.94,c1(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])n(C)c3c(cccc3)n1,0.0
53721,CO-ADD:0310924,0.94,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3c4ccc(nn4)Cl,0.0
53722,CO-ADD:0311946,0.94,c1(cc(ccc1Cl)SC)C(=O)Nc(cccc2C3OCCCO3)c2,0.0
53723,CO-ADD:0255915,0.94,C1(C(OCCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OC)=O,0.0
53724,CO-ADD:0311786,0.94,c12c(CCNC1c3cc(Cl)ccc3O)cc(c(OCC)c2)OCC,0.0
53725,CO-ADD:0256383,0.94,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c3ccccc3OCc4ccc(cc4Cl)Cl,0.0
53726,CO-ADD:0311626,0.94,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3cccs3,0.0
53727,CO-ADD:0255634,0.94,c1(SC)sc2c(ccc(c2)NC(=O)c3ccc(cc3Cl)Cl)n1,0.0
53728,CO-ADD:0312515,0.94,[C@@H]1(C2)O[C@@](CN(C3)S(c4ccccc4)(=O)=O)(CC1)[C@@H]23,0.0
53729,CO-ADD:0253394,0.94,c1(CN(Cc2ccccc2)Cc3ccccc3)c(c4ccccc4)c5c(ccc(c5)[N+](=O)[O-])n1C,0.0
53730,CO-ADD:0253410,0.94,c1(NC(CSc2ccccc2C(O)=O)=O)sc(c(C)c1C(OCC)=O)C,0.0
53731,CO-ADD:0306188,0.94,c1(conc1C(=O)c(cc2)ccc2[N+](=O)[O-])C(c3ccccc3)=O,0.0
53732,CO-ADD:0305854,0.94,c1(NC(=O)c2ccc(cc2)OC)sc(c(C)c1C(OC)=O)C,0.0
53733,CO-ADD:0256458,0.94,N(N(c1ccc(cc1)OC)CC2C(OC)=O)=C2C(C)=O,0.0
53734,CO-ADD:0312605,0.94,C1=C[C@]2(O[C@H]13)[C@]([C@]4(CN(Cc5ccccc5)C2)O[C@H]6C(C(F)(F)F)=C4C(F)(F)F)([C@@]36[H])[H],0.0
53735,CO-ADD:0257010,0.93,N1(c2ccc(c3c2)cccc3)C(c4ccc(cc4)OCC(C)C)Nc(c5C1=O)cccc5,0.0
53736,CO-ADD:0305750,0.93,N1(N)C(COc2cccc(Cl)c2)=Nc(c3C1=O)cccc3,0.0
53737,CO-ADD:0312369,0.93,C(C(OCC)=O)(C(c1ccccc1Cl)N2)=C(CCC)N(C2=O)C,0.0
53738,CO-ADD:0257052,0.93,n1(CC=C)c(SCC(=O)c(ccc2c3Cc(c24)cccc4)c3)nnc1c5ccc(cc5)OCCCCCCCCCC,0.0
53739,CO-ADD:0311408,0.93,C(C(=O)NC1CCCC1)(C2c3ccccn3)=C(C)NC(CC(c4ccc(cc4)Cl)CC5=O)=C25,0.0
53740,CO-ADD:0257029,0.93,s1c(c2ccc(cc2)Br)nnc1NC(=O)c(ccc(c3Cl)Cl)c3,0.0
53741,CO-ADD:0256867,0.93,C1(C(=O)OCC(F)(F)F)=C(C)NC(NC1c2ccc(c(OCC)c2)O)=O,0.0
53742,CO-ADD:0253169,0.93,S(=O)(=O)(Nc(cc1)ccc1OC)c(ccc(c2C(O)=O)Cl)c2,0.0
53743,CO-ADD:0253772,0.93,N1(CN(CC2)CCC2C(OCC)=O)C(=O)C=CC(O)=N1,0.0
53744,CO-ADD:0248276,0.93,c1(nc(c2n1CC(=O)N\N=C\c3ccccc3OCc4ccc(cc4Cl)Cl)cccc2)c5nonc5N,0.0
53745,CO-ADD:0247558,0.93,c1(NC(Cc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3,0.0
53746,CO-ADD:0252229,0.93,c1(SCc(cc2)ccc2I)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
53747,CO-ADD:0248219,0.93,C1(Cl)(Cl)CC1c2ccc(cc2[N+](=O)[O-])C(C)(C)C,0.0
53748,CO-ADD:0318844,0.93,c1(OC(=O)C=C2C)c2cc(OCC(=O)c3ccc(cc3)C)c(Cl)c1,0.0
53749,CO-ADD:0320981,0.93,n1(CC(=O)N(CC(C)C)C2(CCCCC2)C(=O)Nc3ccccc3)nnnc1N,0.0
53750,CO-ADD:0320934,0.93,N1(c(cc2)ccc2C(O)=O)C(=O)C(C3C1=O)C(C)(CC4=O)CC34C,0.0
53751,CO-ADD:0254601,0.93,n1c(c2ccccc2)csc1Nc(ccc(c34)OCO3)c4.Br,0.0
53752,CO-ADD:0255078,0.93,N1(CC(OC2=O)=Nc(c23)ccc(OC(C)=O)c3)C(=O)c4c(cccc4)C1=O,0.0
53753,CO-ADD:0249752,0.93,c1(C(=O)OCC(=O)Oc(ccc(c23)cccc2)c3)cc(c4o1)cccc4,0.0
53754,CO-ADD:0320958,0.93,c1(SCC(=O)NCC2CCCO2)sc(c3n1)ccc(Cl)c3,0.0
53755,CO-ADD:0324510,0.93,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c3c1C(N)=O)CCCC3,0.0
53756,CO-ADD:0321281,0.93,n1(CC=C)c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1c3cccs3,0.0
53757,CO-ADD:0318944,0.93,N(\C(=C/c(cc1)ccc1N(CC)CC)\C(O2)=O)=C2c(cccc3[N+](=O)[O-])c3,0.0
53758,CO-ADD:0320173,0.93,C12(CC3CC(CC(C3)C1)C2)N(CC4)CCN4C(=O)c(cc5OC)cc(c5OC)OC,0.0
53759,CO-ADD:0321208,0.93,c1(C(O)=O)[nH]c(c2c1CC(O)=O)cccc2,0.0
53760,CO-ADD:0319653,0.93,N1(Cc(ccc(c23)OCO2)c3)\C(=N/c4ccccc4)\SC(C(=O)Nc(cc5)ccc5C(OC)=O)CC1=O,0.0
53761,CO-ADD:0254415,0.93,c1(C(=O)N\N=C\c(ccc(c2Br)OCCCCC)c2)c(O)cc(c3c1)cccc3,0.0
53762,CO-ADD:0319733,0.93,n1(c2ccc(cc2)OCC(=O)Nc(cc3)ccc3OC(F)(F)F)cnnn1,0.0
53763,CO-ADD:0249333,0.93,S(=O)(=O)(N1CCC(CC1)C)c2cccc(nsn3)c23,0.0
53764,CO-ADD:0252780,0.93,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(ccc(c4OC)OC)c4,0.0
53765,CO-ADD:0255066,0.93,N(Cc(cc1)ccc1Br)(c2ccccc2I)C(=O)COc3ccc(cc3Cl)Cl,0.0
53766,CO-ADD:0249695,0.93,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C(/C)\c2ccccc2)c3ccccc3[N+](=O)[O-],0.0
53767,CO-ADD:0254770,0.93,c1(C(OCC)=O)c2c(n(C)c1CSc3ccccc3)ccc(O)c2CN(CC4)CCN4C,0.0
53768,CO-ADD:0254674,0.93,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cc(OC)c(cc4Br)O,0.0
53769,CO-ADD:0255089,0.93,c1(CSc2ccccn2)c3c(oc1C(OCC)=O)cccc3,0.0
53770,CO-ADD:0324029,0.93,c1(ccc(cc1F)F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(CCC)=O,0.0
53771,CO-ADD:0252481,0.93,N1(c2ccc(cc2)Oc3ccccc3)C(=O)c(c4C1=O)ccc(c4)[N+](=O)[O-],0.0
53772,CO-ADD:0253210,0.93,S(NCCNC(=O)c(c1SC)c(SC)sn1)(=O)(=O)c2ccc(cc2)C,0.0
53773,CO-ADD:0324910,0.93,S(=O)(=O)(NC1=NCCS1)C2=C(C)NC(NC2=O)=O,0.0
53774,CO-ADD:0250125,0.93,N1(NC(=O)C23CC(CC(C4)C2)CC4C3)C(=O)C(C(C5c6c7cccc6)C1=O)C7c8c5cccc8,0.0
53775,CO-ADD:0253943,0.93,c(cc1)(c(F)cc1C(c2ccccc2)=O)N(CC3)CCO3,0.0
53776,CO-ADD:0253206,0.93,c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])c1NC(OCCCC)=O,0.0
53777,CO-ADD:0253828,0.92,c1(nnc(Cc(cc2)ccc2Cl)s1)NC(=O)c3ccc(cc3)Br,0.0
53778,CO-ADD:0312174,0.92,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(cc3)cc(c3Oc4ccc(cc4C#N)[N+](=O)[O-])OC,0.0
53779,CO-ADD:0305399,0.92,N1(C(=O)c2c(cccc2)C1=O)c3nnc(SCC(=O)Nc4ccc(cc4C)C)s3,0.0
53780,CO-ADD:0250121,0.92,C(=C\c(cc1)ccc1[N+](=O)[O-])(/C2=O)\C(N(CC3)CCO3)=NN2c(cc4)ccc4[N+](=O)[O-],0.0
53781,CO-ADD:0311558,0.92,c12c(C(N(C)C(=O)N1C)=O)n(c3n2)CC(=NN3CCO)c4ccc(cc4)Br,0.0
53782,CO-ADD:0255923,0.92,C1(=C(C)NC(=O)NC1c2ccc(cc2)Cl)C(=O)OC(C)C(C)(C)C,0.0
53783,CO-ADD:0310937,0.92,C(=O)(NNc1ccc(cc1Br)Br)C(O)(c2ccc(cc2)Cl)c3ccc(cc3)Cl,0.0
53784,CO-ADD:0305659,0.92,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cccc(C)c2)(C(=O)Nc3ccccc3C)C1c4ccccc4,0.0
53785,CO-ADD:0306305,0.92,N1(C(C)(C)CC(C)=N1)C(C#N)c2cccc(OC)c2O,0.0
53786,CO-ADD:0253964,0.92,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)NC(C)=O,0.0
53787,CO-ADD:0312629,0.92,C(C1C(C2C(=O)O)C(=O)N(CCCC)C1)c(c23)scc3,0.0
53788,CO-ADD:0305717,0.92,C(C(OCC)=O)(NC(CCCC)=O)(C(F)(F)F)Nc1sc(c(CC)c1C(OC)=O)C,0.0
53789,CO-ADD:0306213,0.92,c1(c(Br)cc(c(F)c1)N2CCCC2)[N+](=O)[O-],0.0
53790,CO-ADD:0256216,0.92,N1(Cc2ccccc2[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
53791,CO-ADD:0306702,0.92,N(=C\c1ccccc1)/C(CC(C)C)C(=O)[O-].[Na+],0.0
53792,CO-ADD:0256242,0.92,C1(CC(C)(C)NC2=S)(CC(c3ccccc3)Oc4c1ccc(c4)O)N2,0.0
53793,CO-ADD:0305715,0.92,C(C(OCC)=O)(NC(CCCC)=O)(C(F)(F)F)Nc1sc(c2c1C(N)=O)CCCC2,0.0
53794,CO-ADD:0257181,0.92,c(C#N)(c(\C(\C#N)=C\c1cccc(OC)c1OCc2ccccc2)nn3c4ccccc4)c3N,0.0
53795,CO-ADD:0307042,0.92,N(CC1)(CCN1C)c2ccc(cc2F)C(C)=O,0.0
53796,CO-ADD:0306799,0.92,C(C(OCCOC)=O)(C1c(cc2)ccc2C(F)(F)F)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
53797,CO-ADD:0311528,0.92,C(NCCc(ccc(c1OC)OC)c1)(=S)Nc2ccccc2C,0.0
53798,CO-ADD:0256071,0.92,c1(Nc(cccc2C(F)(F)F)c2)nc(N\N=C/c(ccc(c3Br)OC)c3)nc(NC)n1.Cl,0.0
53799,CO-ADD:0253760,0.92,C12(c(cccc3)c3C(c4ccccc4)(c5ccccc5)S1)N(c6ccc(cc6)Br)N=C(C(OCC)=O)S2,0.0
53800,CO-ADD:0253651,0.92,N1(C2c3ccccc3)C(S\C(=C\c(cc4)ccc4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])\C1=O)=NC(C)=C2C(OCC)=O,0.0
53801,CO-ADD:0253217,0.92,c1(NC(OCCc2ccccn2)=O)c(SC)nsc1SC,0.0
53802,CO-ADD:0253652,0.92,N(C(=O)CS1)(C2c3ccc(c(cccc4[N+](=O)[O-])c4)o3)C1=NC(C)=C2C(OCC)=O,0.0
53803,CO-ADD:0252220,0.92,c(C(=O)N\N=C\c1cc(Br)cc(OCC)c1O)(c(C)on2)c2c3ccccc3,0.0
53804,CO-ADD:0252351,0.92,[n+]1([O-])c(ccc(cccc2)c12)\C=C\c3ccc(cc3OC)OC,0.0
53805,CO-ADD:0254919,0.92,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)Nc2nnc(C)s2)Cl)c1,0.0
53806,CO-ADD:0252448,0.92,N(c1ccc(cn1)Cl)C(CSc2ccccn2)=O,0.0
53807,CO-ADD:0320293,0.92,c1(C2OCCO2)noc(cc(cc3SCCC(OC)=O)[N+](=O)[O-])c13,0.0
53808,CO-ADD:0320309,0.92,[nH]1c(C)c(c2c1c(C)ccc2F)CCNC(=O)c(cc3)ccc3C(OC)=O,0.0
53809,CO-ADD:0248252,0.92,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
53810,CO-ADD:0324253,0.92,N1(CCOC(CC2CC3CC4C2)(C3)C4)C(C)(O)C(OC1=O)(C)CC\C=C(\C)/C,0.0
53811,CO-ADD:0248199,0.92,N1(C(=O)c(cccn2)c2)C(O)(c(cc3)ccn3)CC(C(F)(F)F)=N1,0.0
53812,CO-ADD:0249254,0.92,C(=O)(c(cc1)ccc1C(=O)NC2CCCCC2)N(C(C)C)C(C)C,0.0
53813,CO-ADD:0323014,0.92,C(=C\c(ccc1c(cccc2C(OC)=O)c2)o1)(/C(=O)NN3c4cccc(Cl)c4)\C3=O,0.0
53814,CO-ADD:0324102,0.92,c1(c(C)nc2n1ccs2)c3csc(Nc4ccccc4OCC)n3,0.0
53815,CO-ADD:0323755,0.92,c(Cn(ccn1)c1)(nnc2Cn(ccn3)c3)n2N,0.0
53816,CO-ADD:0137598,0.92,CN1C=C(NC(C(C=C2)=CN=C2/C=C/C3=CC=C(N(C)C)C=C3)=O)C=C1C(NC4=CN(C)C(C(NCCN(C)C)=O)=C4)=O.OC(C(F)(F)F)=O,0.0
53817,CO-ADD:0323259,0.92,c12c(CCNC1c3ccc(cc3)OC(C)C)cc(c(OCC)c2)OCC.Cl,0.0
53818,CO-ADD:0326217,0.92,[nH]1c(cccc2)c2c(CCNC(=O)\C(\NC(=O)c3ccc(cc3)OCCCC)=C\c4ccco4)c1C,0.0
53819,CO-ADD:0260126,0.92,c1(nonc1N)\C(=N/O)\N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])C(F)(F)F,0.0
53820,CO-ADD:0260142,0.92,N(CC1)(CCO1)C(=O)COc(cc2)ccc2N,0.0
53821,CO-ADD:0259591,0.91,N1(c2ccc(c(Cl)c2)Cl)C(=O)CC(N(CC3)CCN3CCO)C1=O,0.0
53822,CO-ADD:0332621,0.91,C1(C(=O)OCc(cc2)ccc2C)=C(C)NC(NC1c(cc3OC)cc(c3O)OC)=O,0.0
53823,CO-ADD:0332238,0.91,[N+](=O)([O-])c1c(NCCOC(CC(CC23)CC4C2)(C3)C4)ccc(c1)C(F)(F)F,0.0
53824,CO-ADD:0332240,0.91,C1(=C(NC(C)(C)C)C(c(cccc2)c2C1=O)=O)n3c4c(nn3)cccc4,0.0
53825,CO-ADD:0332552,0.91,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N4CCc(c5C4)cccc5,0.0
53826,CO-ADD:0329432,0.91,[N+](=O)([O-])c(cccc1C(NCCc(c2c([nH]3)ccc(C)c2)c3C)=O)c1,0.0
53827,CO-ADD:0284930,0.91,c12c(nnc(SC)n1)c(c3n2C)cc(cc3)Br,0.0
53828,CO-ADD:0257266,0.91,C(=O)(c(ccc(c12)OCCO1)c2)Nc(cc3)cc(c3Oc4ccc(c5c4Cl)cccc5)Cl,0.0
53829,CO-ADD:0329417,0.91,C(c1ccccc1Cl)(CC(OCC)=O)NC(=O)c2cccc(C)c2,0.0
53830,CO-ADD:0257466,0.91,c1(c(C)oc(c2ccccc2)c1)C(=O)Nc(cc3)ccc3CC(O)=O,0.0
53831,CO-ADD:0329489,0.91,S(=O)(=O)(N(CC1)CCN1c2cccc(Cl)c2)c3cc(C)ccc3OC,0.0
53832,CO-ADD:0329719,0.91,C(F)(Cl)(F)Oc(cc1)ccc1NC(=O)CN2CCCC2.Cl,0.0
53833,CO-ADD:0278696,0.91,N1(CC(OC)=O)C(C)=CC(=C(N)C1=O)C,0.0
53834,CO-ADD:0329751,0.91,C1(C(F)(F)F)(C(F)(F)F)N=C(C)NC2=C1C(=O)NC(N2c3ccc(cc3)Cl)=O,0.0
53835,CO-ADD:0279026,0.91,C(O)(c1ccccc1)(CC2)[C@]3([H])[C@@](N2Cc4ccccc4)([H])CCCC3.Cl,0.0
53836,CO-ADD:0330078,0.91,N1(N=C(\C(=C(/C)\Nc(c(Cl)ccc2C(F)(F)F)c2)\C1=O)CC(OC)=O)c3sc(c4n3)cccc4,0.0
53837,CO-ADD:0277974,0.91,N1(c(ccc(c2s3)nc3SC)c2)C(=O)c(c4C1=O)cccc4,0.0
53838,CO-ADD:0327889,0.91,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3C(=O)c(cc4OC)cc(c4OC)OC)[N+](=O)[O-],0.0
53839,CO-ADD:0277990,0.91,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)F)\N2CCC.Br,0.0
53840,CO-ADD:0260105,0.91,c1(NC(=O)c2ccccc2F)sc(c3c1C(=O)NCc4ccccc4)CCCC3,0.0
53841,CO-ADD:0327625,0.91,C(NC1CCCCC1)(OC(C)=CC2=O)=C2C(C)=O,0.0
53842,CO-ADD:0319454,0.91,c1(N(c2ccccc2)c3ccccc3)nc(N=[N+]=[N-])nc(N(CC4)CCO4)n1,0.0
53843,CO-ADD:0320523,0.91,[nH]1c(cccc2)c2c(CCNC(=O)c3ccc(cc3Cl)Cl)c1C,0.0
53844,CO-ADD:0320563,0.91,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCN)c2C,0.0
53845,CO-ADD:0329266,0.91,C1(C2=O)C(C(NC1(CC(C)C)C(O)=O)c3cccc(OC)c3O)C(N2c4ccc(cc4)Cl)=O,0.0
53846,CO-ADD:0329754,0.91,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(OC)c2)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
53847,CO-ADD:0329306,0.91,C(NCC1COCCO1)(=S)Nc(cc2)ccc2OCC,0.0
53848,CO-ADD:0328070,0.91,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2c(C)cc(c(C)c2)C,0.0
53849,CO-ADD:0327878,0.91,N1(c2ccc(cc2)Cl)C(=O)\C(=C\c(ccc(c3O)OC)c3)\C(NC1=S)=O,0.0
53850,CO-ADD:0326844,0.9,n1(N)c(SCC(=O)Nc2sccn2)nnc1c(cc3)ccn3,0.0
53851,CO-ADD:0328000,0.9,c1(C#N)c(OC)nsc1N\N=C\c2ccccc2,0.0
53852,CO-ADD:0283282,0.9,c1(C2=O)c(sc(CC(CC)CC3)c13)N=C(SCC(=O)Nc(cc4)ccc4CC)N2c5ccccc5,0.0
53853,CO-ADD:0328064,0.9,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4c(C)cc(c(C)c4)OC,0.0
53854,CO-ADD:0327207,0.9,n1(c2c(C)cccc2C)nnnc1C3(CCCCC3)NC(C)(C)C#C,0.0
53855,CO-ADD:0278454,0.9,C(/S\C(\N1Cc2ccccc2)=N/c(cc3)ccc3OC)(=C(/C=Cc(c45)cc(cc4)C)\N5CC)\C1=O,0.0
53856,CO-ADD:0284351,0.9,n1(C)c2c(nc1c3ccco3)c4c(cccc4)c(cccc5)c25,0.0
53857,CO-ADD:0328568,0.9,n12c(sc(cc(C#N)c(C#N)c3)c13)nnc2c(cc(C(C)(C)C)cc4C(C)(C)C)c4,0.0
53858,CO-ADD:0284098,0.9,S(=O)(=O)(c1ccc(cc1)C)c2c(O)ccc(O)c2,0.0
53859,CO-ADD:0326729,0.9,C(C(=O)c1cccs1)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2c4ccccc4)=O,0.0
53860,CO-ADD:0260191,0.9,C(=C\c(cc1OC)cc(c1O)I)(/C2=O)\Sc(c23)cccc3,0.0
53861,CO-ADD:0326281,0.9,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCC)C45CC6CC(CC(C6)C4)C5,0.0
53862,CO-ADD:0259512,0.9,N1C(c(cc2)ccc2[N+](=O)[O-])C(CC=C3)C3c(cccc4CC)c14,0.0
53863,CO-ADD:0326015,0.9,S(=O)(=O)(c(cc1)cc(c12)CCN2S(C)(=O)=O)N(CC3)CCN3c(cc4)cc(c4[N+](=O)[O-])NC(C)c5ccccc5,0.0
53864,CO-ADD:0259328,0.9,C12(C=Cc3c(ccc(cccc4)c34)O1)C(C)(C)c(c5N2CC(NC)=O)cccc5,0.0
53865,CO-ADD:0328296,0.9,C(C(C)=O)(C1c2cccc(OC)c2)=C(O)C(N1c3ccc(c(Br)c3)C)=O,0.0
53866,CO-ADD:0332572,0.9,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccccc2)N(CC3)CCN3C(=O)c4ccco4,0.0
53867,CO-ADD:0331845,0.9,C(=C/c(ccc(c1OC)OCc2ccccc2)c1)(/C(=O)NC(N3CC=C)=O)\C3=O,0.0
53868,CO-ADD:0331954,0.9,C1(C(NCCc(c2c([nH]3)ccc(Br)c2)c3C)=O)=Cc(cccc4OC)c4OC1=O,0.0
53869,CO-ADD:0257251,0.9,n1(ccc(C(OC)=O)n1)C(=O)c2ccc(cc2)F,0.0
53870,CO-ADD:0326607,0.9,n1c(O)cc(nc1SCC(=O)Nc(cc(cc2C(F)(F)F)C(F)(F)F)c2)CCC,0.0
53871,CO-ADD:0328571,0.9,c1(NC(=O)CN(CC2)CCN2c3ccccc3)cc(on1)C,0.0
53872,CO-ADD:0257660,0.9,N1(CC2CCCO2)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
53873,CO-ADD:0327836,0.9,C1(=Cc(cc(Br)cc2Br)c2OC1=O)c3cnc(CC#N)s3,0.0
53874,CO-ADD:0257197,0.9,C(/Sc(cc1)ccc1[N+](=O)[O-])(\C(C(C#N)C#N)c2cccs2)=C(/O)\c3ccccc3,0.0
53875,CO-ADD:0279090,0.9,c1(C(N)=O)cn(nc1C23CC4CC(CC(C4)C2)C3)c5ccccc5,0.0
53876,CO-ADD:0283459,0.9,c1(\C(\c2ccc(cc2)C)=N\O)oc(c3c1C)ccc4c3OC(=O)C=C4C,0.0
53877,CO-ADD:0327535,0.9,c1(C(=O)c2ccc(cc2)C)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)cccc3,0.0
53878,CO-ADD:0327567,0.9,S(=O)(=O)(N(CC1)CCO1)c2[nH]ncn2,0.0
53879,CO-ADD:0283499,0.9,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cc(OC)c(c5)OCc6ccccc6C#N)c5Br)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
53880,CO-ADD:0259426,0.9,c1(Nc(cc2)ccc2OC)nc(Cl)nc(NCCN(CC3)CCO3)n1,0.0
53881,CO-ADD:0327913,0.9,S(=O)(=O)(c1ccc(cc1)Cl)Nc(c(cccc2)c23)cc4c3oc(CCC(C)C5)c45,0.0
53882,CO-ADD:0259978,0.9,c1(C(=O)c2cc(OC)ccc2OC)oc(c3c1NC(C)=O)ccc(Br)c3,0.0
53883,CO-ADD:0327657,0.9,c1(C(O)c2ccccc2)sc3c(c(COC)cc(C)n3)c1NC(=O)c4ccco4,0.0
53884,CO-ADD:0259822,0.9,C1(C(=O)OC(C)CC)=C(C)NC(=O)NC1c2ccc(cc2)OCCC,0.0
53885,CO-ADD:0328554,0.9,C1(=S)N(Nc2c(Cl)cc(cn2)Cl)C(C(=O)N1c3ccc(cc3)F)CC(=O)Nc(cc4)ccc4C(OCC)=O,0.0
53886,CO-ADD:0319046,0.9,C(c1ccccc1)(=O)N(CC2)CCN2c(cc3)ccc3C(=O)c4cccc(F)c4,0.0
53887,CO-ADD:0318659,0.9,c1(C2c3ccc(c(OCC)c3)OCC)c([nH]nc1c(ccc(c45)OCO4)c5)OC(N)=C2C#N,0.0
53888,CO-ADD:0320421,0.9,S(=O)(=O)(N(CCCC)CCCC)C1=C(C)NC(NC1=O)=O,0.0
53889,CO-ADD:0326592,0.9,c1(scc(c2ccc(cc2)Oc3ccccc3)n1)NC(=O)Nc4ccccc4,0.0
53890,CO-ADD:0326785,0.9,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)Cl)n1CC(CC(CC5C6)CC67)(C7)C5,0.0
53891,CO-ADD:0326665,0.9,n1c(N2CCCCC2)nc(nc1N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)Nc(cc7)ccc7OC(F)(F)Cl,0.0
53892,CO-ADD:0326700,0.9,C([N+](=O)[O-])(=C(\C=C\c(cc1)ccc1OC)N(C)C(N2C)=O)C2=O,0.0
53893,CO-ADD:0326612,0.9,N1(c2ccc(cc2)O)C(c3ccc(c(OCC)c3)OCC(=O)Nc(ccc(c4C)C)c4)Nc(c5C1=O)cccc5,0.0
53894,CO-ADD:0326221,0.9,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3OC)\NC(c4ccccc4)=O)c1C,0.0
53895,CO-ADD:0329984,0.9,C1(=O)Nc2c(Oc3c1ccc(c3)Sc4ccccc4)cccc2,0.0
53896,CO-ADD:0284367,0.89,c(C(=O)c1ccc(cc1)Br)(sc(c23)nc(c(C#N)c2c4ccccc4)N)c3N,0.0
53897,CO-ADD:0326878,0.89,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc4sc(c(C)c4C(OCC)=O)C(N)=O)n2,0.0
53898,CO-ADD:0284423,0.89,C1(Cc2ccccc2)(c3c(c(cccc4)c14)cccc3)c(c(F)c5F)c(F)c(n5)F,0.0
53899,CO-ADD:0326014,0.89,S(NCCCCCCC(NCCOc(cc1)ccc1Cl)=O)(c2ccccc2)(=O)=O,0.0
53900,CO-ADD:0283269,0.89,c1(NC(=O)C2=Cc3c(OC2=O)ccc(OC)c3)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
53901,CO-ADD:0277643,0.89,C1(C)(C2(CCCCC2)OC3=O)N3CCN4C(C5(CCCCC5)OC4=O)=C1,0.0
53902,CO-ADD:0326754,0.89,c1(C(=O)c2sc(c3n2)cccc3)cn(nc1C(OCC)=O)c4cccc(C)c4,0.0
53903,CO-ADD:0328365,0.89,S(=O)(=O)(c(cccc1C(=O)Nc(cccc2[N+](=O)[O-])c2)c1)Nc3ccc(c(cccn4)c34)Br,0.0
53904,CO-ADD:0277363,0.89,n(c1ccc(cc1)C)(c2C)c(C)cc2\C=C(/C#N)\C(=O)Nc(ccc(c3C)C)c3,0.0
53905,CO-ADD:0329714,0.89,c(SCC(=O)N(C)c1ccc(cc1)OC(F)(F)F)(nc(c2ccco2)cc3C(F)(F)F)n3,0.0
53906,CO-ADD:0327307,0.89,N1(C(C)C)CC(CC1=O)C(=O)Nc2cccc(Cl)c2C,0.0
53907,CO-ADD:0259552,0.89,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cccc(OC)c2OCc3ccccc3Cl,0.0
53908,CO-ADD:0328577,0.89,C1(C(F)(F)F)(C(F)(F)F)N=C(Cc2ccccc2)NC3=C1C(=O)NC(N3Cc4ccccc4)=O,0.0
53909,CO-ADD:0328647,0.89,c1(NC(COc2cccc(OC)c2)=O)cc(on1)C,0.0
53910,CO-ADD:0259274,0.89,C1(c2cccc(cccc3)c23)Nc(ccc(c4)C(O)=O)c4C(C(C5Sc6ccccc6[N+](=O)[O-])Cl)C1C5,0.0
53911,CO-ADD:0328311,0.89,C(C(=O)c1ccc(cc1)C)(C2c(cc3)ccc3N(C)C)=C(O)C(N2CCN(CC4)CCO4)=O,0.0
53912,CO-ADD:0260186,0.89,C(=C\c1cccc(c1)OCc2cccc(cccc3)c23)(/C4=O)\Sc(c45)cccc5,0.0
53913,CO-ADD:0328021,0.89,C(=O)(Nc1c(C)cc(cc1C)C)c2c(C)cc(nc2Cl)Cl,0.0
53914,CO-ADD:0257949,0.89,c1(NNC(C)=O)nc(C)cc(C)n1,0.0
53915,CO-ADD:0328037,0.89,c1(CN(CC2)CCN2Cc3nccn3C)nccn1C.Cl,0.0
53916,CO-ADD:0326534,0.89,c(Nc(cc1)ccc1OC(F)(F)F)(nc(OCC(F)(F)F)nc2NC(C)CC)n2,0.0
53917,CO-ADD:0259050,0.89,C(=O)(NCc(cc1)ccc1CNC(=O)\C=C/C(O)=O)\C=C/C(O)=O,0.0
53918,CO-ADD:0278642,0.89,C(CC(C)(C)CC1=O)(Nc(ccc(c23)OCO2)c3)=C1,0.0
53919,CO-ADD:0283744,0.89,[N+](=O)([O-])c(cccc1C(=O)NNC(=O)c2ccccc2c3ccccc3C(O)=O)c1,0.0
53920,CO-ADD:0278319,0.89,C(=C/C=C/c1ccccc1)(/C2=O)\C(c3ccc(cc3)Cl)=NO2,0.0
53921,CO-ADD:0328253,0.89,c12n(c3c(cccc3)nn1)c(c(C(N4C)=O)c2N(C)C4=O)c5ccccc5,0.0
53922,CO-ADD:0328269,0.89,S(=O)(=O)(c1ccc(cc1)OC)NC(c2ccc(cc2)C)CC(OCC)=O,0.0
53923,CO-ADD:0278335,0.89,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCc2ccccc2O)=O)N(CC3)CCN3C)c1,0.0
53924,CO-ADD:0326399,0.89,c1(NNC(=S)Nc(cccc2C(F)(F)F)c2)c(F)c(F)nc(F)c1F,0.0
53925,CO-ADD:0284388,0.89,N(C(=O)c1ccc(cc1)Br)C(=S)Nc2ccccc2C#Cc3ccccc3,0.0
53926,CO-ADD:0326207,0.89,S(NCCC(c1ccccc1OC)c(ccc(c23)OCO2)c3)(c4ccccc4)(=O)=O,0.0
53927,CO-ADD:0283085,0.89,[N+](=O)([O-])c(cc1)cc(c1C(=O)O\N=C(/N)\c2ccc(cc2)Cl)Cl,0.0
53928,CO-ADD:0319457,0.89,c1(C(O)=O)c(NCCCC)c(Cl)c(nc1Cl)Cl,0.0
53929,CO-ADD:0319097,0.89,C(NCCOc1ccccc1)(=O)c2cccc(c3ccc(cc3)OC)c2,0.0
53930,CO-ADD:0319514,0.89,c1(C2c3cccc(OC)c3)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
53931,CO-ADD:0329013,0.89,c1(nn(cn1)CC(=O)c2ccc(c(O)c2)O)[N+](=O)[O-],0.0
53932,CO-ADD:0328085,0.89,N(C1)(C(C=C1c2ccc(cc2)C)=CC(=C3C#N)C)C3=O,0.0
53933,CO-ADD:0326503,0.89,C(C#N)(C1c2ccccc2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
53934,CO-ADD:0284246,0.89,c1(C(=O)c(cc2)ccc2c(cc3)ccc3C(=O)c4c(N)c(c5s4)ccc(CC(C)C)n5)c(N)c(c6s1)ccc(CC(C)C)n6,0.0
53935,CO-ADD:0326237,0.89,N1(CC(=O)NNC(COc(ccc(c23)cccc2)c3)=O)C(=O)c4c(c5C1=O)c(ccc4)ccc5,0.0
53936,CO-ADD:0326829,0.89,c(c1ccc(cc1Cl)Cl)(nnc2c3ccccc3O)o2,0.0
53937,CO-ADD:0283223,0.89,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c5c4)OCO5,0.0
53938,CO-ADD:0284528,0.89,N1C(=O)\C(\SC1=N)=C\c(ccc2c(ccc(c3[N+](=O)[O-])Cl)c3)o2,0.0
53939,CO-ADD:0277316,0.89,C(C)(C(F)(F)F)(C(F)(F)F)C(=O)Nc(c(F)ccc1[N+](=O)[O-])c1,0.0
53940,CO-ADD:0277326,0.89,c12c(cnn1c3ccccc3)C(N(c4cccc(Cl)c4)C(C)=N2)=O,0.0
53941,CO-ADD:0328477,0.89,c1(cccc(NC(C)=O)c1O)C(=O)Oc2cccc(C)c2,0.0
53942,CO-ADD:0277654,0.89,c1(NC(CSC2=NCCS2)=O)nnc(C)s1,0.0
53943,CO-ADD:0328593,0.89,C(=O)(Oc(c(Cl)ccc1[N+](=O)[O-])c1)C(C(F)(F)F)C(F)(F)F,0.0
53944,CO-ADD:0332228,0.88,C1(C(OC)=O)=C(C)NC(NC1c(cc2OC)cc(c2OCC)Br)=O,0.0
53945,CO-ADD:0259974,0.88,N1(c2ccccc2)CC(CC1=O)C(=O)Nc3cccc(Cl)c3,0.0
53946,CO-ADD:0259415,0.88,c(NC(C)(C)C)(nc(OC)nc1Nc(cc2)ccc2Cl)n1,0.0
53947,CO-ADD:0328469,0.88,C(C(O)=O)(=CN1CC)C(=O)c(c12)cnc(N(CC3)CCN3C(=S)NC(=O)c4cccc(OCC)c4)n2,0.0
53948,CO-ADD:0328805,0.88,c1(c(cccn1)N)N\C(\C)=C\C(C)=O,0.0
53949,CO-ADD:0260056,0.88,C(=N\c(cc1)ccc1C)(/SC(C2=O)CC(=O)Nc(cc3)ccc3C(O)=O)\N2C,0.0
53950,CO-ADD:0258764,0.88,C(=O)(N\N=C\c1cccs1)C(=O)N2CCCCCC2,0.0
53951,CO-ADD:0328088,0.88,S(NCCC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4ccc5c(ccc(OC)c5)c4,0.0
53952,CO-ADD:0257736,0.88,N1=C(Nc(cc2)ccc2C)SC(CC)C1=O,0.0
53953,CO-ADD:0329381,0.88,c1(C(O)=O)cc(OC)c(cc1NC(Cc(cc2)ccc2OC)=O)OC,0.0
53954,CO-ADD:0258669,0.88,C(=C/c(ccc(c1OC(C)=O)OC)c1)(/C=C(O2)c3ccccc3)\C2=O,0.0
53955,CO-ADD:0283988,0.88,C(C(=O)OC1CCCCC1)(C2c3ccc(cc3)Br)=C(C)NC(CC(c4ccc(cc4)OC)CC5=O)=C25,0.0
53956,CO-ADD:0279130,0.88,S(=O)(=O)(c1ccc(cc1)C)c2c(O)cc(c(c2C)NS(=O)(=O)c3ccc(cc3)Br)C,0.0
53957,CO-ADD:0326726,0.88,N1(CC)\C(=N/CC)\SC=C1c2ccc(cc2)OCC.Br,0.0
53958,CO-ADD:0284099,0.88,c(CN(C)CC1)(c2c(n3C)cccc2)c13.Cl,0.0
53959,CO-ADD:0278970,0.88,C12c3c(cccc3)C(C(C)C1C(=O)Nc(cc4)ccc4Cl)c(cccc5)c25,0.0
53960,CO-ADD:0328149,0.88,S(=O)(=O)(N(CC1)CCC1C(=O)Nc2cccc(C)c2)c3ccc(c4c3cccn4)OC,0.0
53961,CO-ADD:0328950,0.88,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)NC(c2ccc(cc2)OC)CC(OC)=O)Cl)c1,0.0
53962,CO-ADD:0326253,0.88,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NC3CCCC3,0.0
53963,CO-ADD:0284521,0.88,C1(NCCN1)(CC(=O)c2cccs2)C(F)(F)F,0.0
53964,CO-ADD:0326741,0.88,n1(C2CCCCC2)c(SCC(=O)Nc(nc3)nc(c34)CC(CC4=O)c5cccs5)nnc1c(cccn6)c6,0.0
53965,CO-ADD:0278482,0.88,c1(C2c3ccccc3F)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
53966,CO-ADD:0284005,0.88,C(C(OCC)=O)(C1c(cc2)ccn2)=C(C)NC(CC(c3ccc(cc3)OC)CC4=O)=C14,0.0
53967,CO-ADD:0326757,0.88,c1(C(c2ccccc2)=O)cn(nc1C(OCC)=O)c3cccc(C)c3,0.0
53968,CO-ADD:0259779,0.88,c1(cc(C)ccc1C)NC(CSc2ccccn2)=O,0.0
53969,CO-ADD:0277328,0.88,C(C(=O)OCc(cc1)ccc1OC)(=C(C)NC(=C23)CCCC2=O)C3c4cccc(OC)c4,0.0
53970,CO-ADD:0328304,0.88,C(C(c1ccccc1)=O)(C2c3cccc(O)c3)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
53971,CO-ADD:0277376,0.88,c(c(c1c(C2=O)cccc1)on3)(c2ccc4C(C)=O)c34,0.0
53973,CO-ADD:0259479,0.88,N1(c2ccccc2)C(=O)c(cc3)c(c(ccc4N(CC5)CCO5)C1=O)c4c3N(CC6)CCO6,0.0
53974,CO-ADD:0332378,0.88,c1(c2c(sc1NC(=O)c3ccccc3F)CCCCC2)C(=O)Nc4c(C)cccc4C,0.0
53975,CO-ADD:0332475,0.88,N1(NC(=O)c2ccc(cc2)Br)C(c3ccc(c(OC)c3)OC)Nc(c4C1=O)cccc4,0.0
53976,CO-ADD:0329002,0.88,C1(c2c(N3Cc4ccccc4F)cccc2)(NC(C(C(N5Cc6ccccc6)=O)C1C5=O)CC(C)C)C3=O,0.0
53977,CO-ADD:0259761,0.88,c12n(ncn1N)c(nn2)SCC(=O)Nc3nnc(SCC(=O)Nc(cc4)ccc4C)s3,0.0
53978,CO-ADD:0329026,0.87,c1(n[nH]cn1)C(=O)Nc2nnc(COC)s2,0.0
53979,CO-ADD:0259377,0.87,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c4ccc(c(OC)c4)OC,0.0
53980,CO-ADD:0327851,0.87,C(/c(cccc1)c1CC23CCCCC2)(\N3)=C\C4=NC(Cc5c4cccc5)(C)C,0.0
53981,CO-ADD:0260049,0.87,S(c1ccccc1)(=O)(=O)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3F,0.0
53982,CO-ADD:0327668,0.87,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1CCc(ccc(c5OCC)OCC)c5)CC,0.0
53983,CO-ADD:0258861,0.87,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)N(CC3)CCN3c4ccccc4OC,0.0
53984,CO-ADD:0329260,0.87,N(c1cccc(Cl)c1)(C(=O)C(C23)C(c4cc(OC)ccc4O)NC2(C)C(O)=O)C3=O,0.0
53985,CO-ADD:0278948,0.87,c1(SCC(=O)Nc2sccn2)n(C)c3c(cccc3)n1,0.0
53986,CO-ADD:0326159,0.87,c(NC(=O)Cn1nnc(c(ccc(c23)OCO2)c3)n1)(c(C(N)=O)nn4c5ccccc5)n4,0.0
53987,CO-ADD:0278996,0.87,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc2ccccn2)c3ccc(c(Cl)c3)OC,0.0
53988,CO-ADD:0284079,0.87,n1c(c(cc2)ccc2C3CCCCC3)csc1Nc4c(OC)cc(c(OC)c4)Cl.Br,0.0
53989,CO-ADD:0318689,0.87,C(OC)(F)(C(F)(F)F)C(=O)Nc(cc1)ccc1OC(F)(F)Cl,0.0
53990,CO-ADD:0321179,0.87,C(/Oc(c12)ccc(C)c1)(\S2)=C(\C(OC)=O)/C(F)(F)F,0.0
53991,CO-ADD:0319338,0.87,n1c2c(oc1SCCCCSc3oc(c4n3)cccc4)cccc2,0.0
53992,CO-ADD:0321125,0.87,S(NCCc(cc1)ccc1S(N)(=O)=O)(=O)(=O)c2ccc(cc2)NC(C)=O,0.0
53993,CO-ADD:0329006,0.87,N(Cc1ccccc1)(C(=O)C(C23)C(c4cc(Cl)ccc4O)NC2(C)C(O)=O)C3=O,0.0
53994,CO-ADD:0328430,0.87,c1(O2)c(cc(O)cc1c3ccc(cc3)SC(F)F)SC2=O,0.0
53995,CO-ADD:0327447,0.87,N(c1cccc(Cl)c1)(C(=O)C(C23)C(c4cccc(OC)c4O)NC2(C)C(O)=O)C3=O,0.0
53996,CO-ADD:0329427,0.87,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)N(CC3)CCN3c4ccc(c(Cl)c4)C,0.0
53997,CO-ADD:0329867,0.87,S(=O)(=O)(N(CCc1ccccc1)CC(NCCO)=O)c2c(Cl)ccc(Cl)c2,0.0
53998,CO-ADD:0329444,0.87,S1(CCC(C1)OC(=O)NC(=O)c2cccs2)(=O)=O,0.0
53999,CO-ADD:0327402,0.87,n1(n2)c(nc(cc1C(F)(F)Cl)c3ccco3)cc2C(=O)N4CCC(CC4)C(OCC)=O,0.0
54000,CO-ADD:0283183,0.87,c1(cc(C)cc(F)c1F)C(=O)n(c2)ncn2,0.0
54001,CO-ADD:0278527,0.87,c1(C(OCC)=O)[nH]c(c(C(C)=O)c1C)CN(CC2)CCO2,0.0
54002,CO-ADD:0326750,0.87,n12c(ncc(C#N)c1c3cccc(C)c3)cc(C)n2,0.0
54003,CO-ADD:0283032,0.87,c1(c(C)[nH]n2)c2CC(C)(O)C(C(C)=O)C1c3ccc(c(OC)c3)O,0.0
54004,CO-ADD:0283072,0.87,N1C(=O)\C(\SC1=S)=C/c(cc2)ccc2Oc(cc3)ncc3[N+](=O)[O-],0.0
54005,CO-ADD:0259773,0.87,C(/S\C(\N1CC)=N/c(cc2)ccc2N(CC3)CCO3)(=C(/C=Cc(c45)cccc4)\N5CC)\C1=O,0.0
54006,CO-ADD:0329176,0.87,c1(Cl)c(C)cc(cc1C)OCC(=O)Nc(cc2)ccc2CC#N,0.0
54007,CO-ADD:0284858,0.87,N1(C(=O)c2cccc(Cl)c2)N=C(CC1(O)c3ccc(cc3)CC)C,0.0
54008,CO-ADD:0283278,0.87,S(=O)(=O)(Nc1ccccc1)\C=C\c2ccccc2,0.0
54009,CO-ADD:0329208,0.87,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
54010,CO-ADD:0331931,0.87,C1(C(NCCCN(CC2)CCO2)=O)=Cc3c(OC1=O)ccc(Br)c3,0.0
54011,CO-ADD:0332253,0.87,c(c1c2ccccc2)(C3=O)c(N(C(=O)N3C)C)c(n14)cccn4,0.0
54012,CO-ADD:0328043,0.87,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCCc(cc3)ccc3F,0.0
54013,CO-ADD:0259515,0.87,C(=O)(Nc(ccc(c1Cl)C)c1)C(NCCCN(CC2)CCO2)=O,0.0
54014,CO-ADD:0329796,0.87,N1(c2cccc(C)c2C)\C(\CCC1)=N\C(=S)Nc(cc3)ccc3OC,0.0
54015,CO-ADD:0260131,0.87,c(c(C)on1)(c1c2ccccc2)C(=O)Nc3cccc(Oc4ccccc4)c3,0.0
54016,CO-ADD:0258322,0.87,C(=O)(N\N=C\c(ccc(c12)cccn1)c2)c3ccc(cc3)F,0.0
54017,CO-ADD:0329765,0.87,C1(C(F)(F)F)(NC(=O)c2ccco2)C(=O)N(C(=O)N1)Cc3ccccc3,0.0
54018,CO-ADD:0328933,0.87,N1(c2ccc(cc2)OC(F)(F)F)C(=O)\C(\SC1=N)=C\c(ccc3c4ccc(cc4)OC(F)(F)F)o3,0.0
54019,CO-ADD:0278982,0.87,c1(c2c(sc1N)CCCC2)C(=O)NC3CCCCC3,0.0
54020,CO-ADD:0328771,0.87,C1(C(=O)NC(N2CCc(ccc(c3OCC)OCC)c3)=O)=C2NC(=O)C1(NC(CCc4ccccc4)=O)C(F)(F)F,0.0
54021,CO-ADD:0279207,0.87,c1(C2c3ccc(cc3)OCC)c(CCN2C(=O)c4cc5c(ccc(Br)c5)o4)c6c(cccc6)[nH]1,0.0
54022,CO-ADD:0283465,0.86,c1(C(O)C(C(OCC)=O)C(OCC)=O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
54023,CO-ADD:0328484,0.86,c1(C2(CCCCC2)NCCc(c3C)c(c(Cl)ccc4Cl)c4[nH]3)nnnn1c5ccc(cc5)OC,0.0
54024,CO-ADD:0321100,0.86,C(=O)(CN(CC1)CCO1)Nc2ccccc2Oc3ccccc3,0.0
54025,CO-ADD:0319003,0.86,C(=O)(Nc1ccccc1OC(C)C)c2ccc(c(cccc3)c23)F,0.0
54026,CO-ADD:0325925,0.86,C1(O)(C(F)(F)F)c(ccc(c2)NC(C)=O)c2OC1=O,0.0
54027,CO-ADD:0327424,0.86,C12=C(COC1=O)Nc(c3SC2c4ccc(cc4)OCC)cccc3,0.0
54028,CO-ADD:0326226,0.86,[N+](=O)([O-])c(cccc1\C=C(\C(NCCc(c2c([nH]3)cccc2)c3C)=O)/NC(=O)c(cc4)ccc4C(C)(C)C)c1,0.0
54029,CO-ADD:0326634,0.86,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)NCC4CCCO4)n2,0.0
54030,CO-ADD:0284908,0.86,n1c(c2ccc(cc2)OC)[nH]c(c3ccccc3)c1c4ccc(cc4)Sc5ccccc5,0.0
54031,CO-ADD:0278415,0.86,c1(Oc2ccccc2)nc(NCc3ccco3)nc(NCc4ccco4)n1,0.0
54032,CO-ADD:0326847,0.86,n1nc(oc1c2ccc(cc2)OCc3cccc(Br)c3)COc4cccc(C)c4,0.0
54033,CO-ADD:0277457,0.86,N12C(S\C(=C\c(cc3)ccc3F)\C1=O)=NC(C)=C(C(OCC)=O)C2c4ccc(c(cccc5)c45)OC,0.0
54034,CO-ADD:0326727,0.86,C1(SCC(=O)Nc(cc2)ccc2OC)=NCCN1.Cl,0.0
54035,CO-ADD:0278368,0.86,[N+](=O)([O-])c(cccc1\C(\N2CCCCC2)=N/OC(C)=O)c1,0.0
54036,CO-ADD:0326655,0.86,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc(ccc(c4C(F)(F)F)Cl)c4)n2,0.0
54037,CO-ADD:0328185,0.86,S(c1ccccc1)(=O)(=O)c2c(O)c(C)cc(NC(=O)c3ccc(cc3)OC)c2C(C)C,0.0
54038,CO-ADD:0283623,0.86,N1(c2ccc(c(Cl)c2)F)C(=O)c3c(NC1c4ccc(cc4Cl)Cl)cccc3,0.0
54039,CO-ADD:0328585,0.86,N1(C(=O)c2ccc(cc2)Cl)C(=S)N=C(C=CC(C)=C3)N13,0.0
54040,CO-ADD:0284178,0.86,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c(ccc(c3Cl)Cl)c3)NC(c4ccccc4)=O,0.0
54041,CO-ADD:0258675,0.86,[N+](=O)([O-])c1c(NCCCCCC(O)=O)ccc(c1)C(F)(F)F,0.0
54042,CO-ADD:0329201,0.86,S(=O)(=O)(C(F)(F)F)NC(c1ccccc1)C(Cl)Cl,0.0
54043,CO-ADD:0331481,0.86,C1(C(C(C=C(C(OC)=O)N1CCCC)=O)=C(C)N(C2=S)c3ccccc3)=N2,0.0
54044,CO-ADD:0332482,0.86,C1(SCC(=O)N1c2ccc(cc2)CC)(c3c(N4CN(CC5)CCN5c6ccccc6F)cccc3)C4=O,0.0
54045,CO-ADD:0332155,0.86,N1=C(N)SC(CC1=O)C(=O)Nc2ccc(cc2Cl)Cl,0.0
54046,CO-ADD:0258602,0.86,c1(N\N=C\c2cc(Br)ccc2F)c(Cl)cc(cc1Cl)Cl,0.0
54047,CO-ADD:0326019,0.86,S(NCCCCCCC(=O)OCC(=O)c1ccc(cc1)Br)(c2ccccc2)(=O)=O,0.0
54048,CO-ADD:0258658,0.86,n1c(c2ccc(cc2)C)csc1\C(\C#N)=C\c(cccc3[N+](=O)[O-])c3,0.0
54049,CO-ADD:0326357,0.86,N12CCC(CC1Cc(ccc(c3O)O)c3)CC2.Cl,0.0
54050,CO-ADD:0259084,0.86,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4OC)OCc(cc5)ccc5F)c4)\C1=O,0.0
54051,CO-ADD:0326390,0.86,c1(C(O)=O)c(Cl)nc(c(Cl)c1N(CC)CC)Cl,0.0
54052,CO-ADD:0328791,0.86,n1(C)cnnc1SCc(ccc(c2n3)no3)c2,0.0
54053,CO-ADD:0283619,0.86,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4\C(=N\c5ccc(cc5C)C)\C1=O,0.0
54054,CO-ADD:0329809,0.86,n1(c(CCCCc2nnc(CCCCC3)n23)nn4)c4CCCCC1,0.0
54055,CO-ADD:0278883,0.86,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(Nc3ccccc3)CC(C)(O)C1C(OCC)=O,0.0
54056,CO-ADD:0278712,0.86,C(CNc(ccc(c12)OCO1)c2)(=O)N\N=C\c(ccc(c3OCC)O)c3,0.0
54057,CO-ADD:0328112,0.86,C1(=Cc2c(OC1=O)cccc2)C(=O)NC(C)(CC)C#C,0.0
54058,CO-ADD:0328161,0.86,[N+](=O)([O-])c(cc(Sc1ccccc1)cc2NC(=O)c(cc3)ccc3C(=O)c4cc(OC)cc(OC)c4)c2,0.0
54059,CO-ADD:0283698,0.85,[C-]([n+]1ccccc1)([N+](=O)[O-])[N+](=O)[O-],0.0
54060,CO-ADD:0283730,0.85,c1(c2c(n3C)cccc2)c3CCCC1=O,0.0
54061,CO-ADD:0283514,0.85,C1(C(=O)Nc(cc2)ccc2C)C3C1\C=C/CCCC3,0.0
54062,CO-ADD:0318966,0.85,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(C)c4)c5cccs5,0.0
54063,CO-ADD:0319339,0.85,c1(ccc2c(c(ccc3)CC2)c13)NC(CSCC(NCCc4ccccc4)=O)=O,0.0
54064,CO-ADD:0327132,0.85,C(=O)(NC1CCCCCCCCCCC1)c2ccco2,0.0
54065,CO-ADD:0326337,0.85,c1(cc(OC)c(cc1OC)OC)C2NCCc(cc(c(OCC)c3)OCC)c23.Cl,0.0
54066,CO-ADD:0327412,0.85,c1(\C(\CCC2)=N\OCc(cc3)ccc3C#N)c2non1,0.0
54067,CO-ADD:0259120,0.85,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(Cl)c2)OC(N(CC)CC)=N1,0.0
54068,CO-ADD:0326827,0.85,N1(CCc(c23)cc(c(OC)c2)OC)C3C(C)C(C4=C1CSCC4=O)=O,0.0
54069,CO-ADD:0328927,0.85,c(C#N)(c1O)c(SC)sn1,0.0
54070,CO-ADD:0258584,0.85,s1c(nnc1c2cccs2)NC(=O)c(cc3)ccc3C(C)(C)C,0.0
54071,CO-ADD:0258624,0.85,C1(C(=O)OC(C)C)=C(C)NC(NC1c2cccc(cccc3)c23)=O,0.0
54072,CO-ADD:0258536,0.85,C(=C\c(cccc1[N+](=O)[O-])c1O)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
54073,CO-ADD:0278493,0.85,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccccc2Cl,0.0
54074,CO-ADD:0326775,0.85,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)Cl)n1CC(O)c5ccccc5,0.0
54075,CO-ADD:0283159,0.85,N1(c2ccccc2)C(=O)C(CC1=O)S\C(\NCC)=N\Cc(ccc(c34)OCO3)c4,0.0
54076,CO-ADD:0278504,0.85,c1(OC(N)=C(C2c3cc(OC)ccc3OC)C#N)c2c([nH]n1)C,0.0
54077,CO-ADD:0326448,0.85,n1(n2)c(nc(cc1C(F)(F)Cl)c3cccs3)cc2C(=O)N4CCCCC4C,0.0
54078,CO-ADD:0329925,0.85,c1(c(c2ccccc2)nn3c4ccccc4)c3NC(CSC1c5ccc(cc5Cl)Cl)=O,0.0
54079,CO-ADD:0327419,0.85,N1(c2ccc(c(C)c2)C)C(c3ccccc3Cl)C(C1=O)Oc4ccc(cc4C)Cl,0.0
54080,CO-ADD:0326808,0.85,C(C(=O)c1ccc(cc1)C)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CC4CCCO4)=O,0.0
54081,CO-ADD:0331187,0.85,n1(C(C)c2ccccc2)c3c(nc1C(C)O)cccc3,0.0
54082,CO-ADD:0332547,0.85,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4ccccc4Cl)[N+](=O)[O-],0.0
54083,CO-ADD:0332276,0.85,c1(NC(c2ccco2)CC3C(F)(F)F)n3nc(C(=O)NCC(C4)(CC(C5)CC6CC45)C6)c1Cl,0.0
54084,CO-ADD:0331780,0.85,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3cccc(Cl)c3,0.0
54085,CO-ADD:0331425,0.85,c1(C(OCC)=O)c(N)oc(c(c2c3oc(c2C(OCC)=O)N)Cl)c1c3Br,0.0
54086,CO-ADD:0327362,0.85,C1(=C(N(CC)CC)C(c(cccc2)c2C1=O)=O)n3c4c(nn3)cccc4,0.0
54087,CO-ADD:0258492,0.85,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(ccc3c4cccc(Cl)c4Cl)o3,0.0
54088,CO-ADD:0327523,0.85,n1(CC=C)c(SCC(=O)Nc2c(C)cccc2C)nnc1c3ccco3,0.0
54089,CO-ADD:0258550,0.85,C(=C\c(ccc1c(ccc(c2C(O)=O)O)c2)o1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
54090,CO-ADD:0277452,0.85,C(C(OCCSCC)=O)(C1c2ccc(cc2)SC)=C(C)NC(CCCC3=O)=C13,0.0
54091,CO-ADD:0330025,0.85,C1(C(F)(F)F)(NC(=O)c2ccco2)C(=O)N(C(=O)N1)CCCC,0.0
54092,CO-ADD:0279069,0.85,C(C(=O)OC(C)C)(=C(C)OC(=C1C#N)N)C1c(cccn2)c2,0.0
54093,CO-ADD:0278910,0.85,n1(nnc(C(OCC)=O)c1CNc(cc2)ccc2OC)c3nonc3N,0.0
54094,CO-ADD:0329434,0.85,C1(C(NCCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)=O)=Cc(cccc4OC)c4OC1=O,0.0
54095,CO-ADD:0284801,0.85,c12n(c3c(cccc3)n1C)nc4c2C(=O)NC=N4,0.0
54096,CO-ADD:0278697,0.85,C1(=C(C)C=C(N(C)C1=O)C)[N+](=O)[O-],0.0
54097,CO-ADD:0328378,0.85,N1=C(c2ccccc2)CCN1CCC#N,0.0
54098,CO-ADD:0284092,0.85,c1(coc(ccc(O)c2CN(C)C)c12)C(=O)c3cc(OC)ccc3OC.Cl,0.0
54099,CO-ADD:0278987,0.85,n(c1C)(nnc1C(=O)NNC(=O)c2ccn(C)n2)c3nonc3N,0.0
54100,CO-ADD:0283891,0.85,N(CN(CC1)CCC1c2ccccc2)(N=C(N3c4ccccc4)c5ccc(cc5)OC)C3=S,0.0
54101,CO-ADD:0325943,0.85,C(=O)(c1ccccc1Cl)N(CCc(c2c([nH]3)cccc2)c3)C4(CCCCC4)C(=O)Nc5c(C)cccc5C,0.0
54102,CO-ADD:0321120,0.85,N(c1ccccc1F)C(COc(ccc(c23)OCO2)c3)=O,0.0
54103,CO-ADD:0319367,0.85,n1(c2ccccc2)c(SCc(nc(N)nc3N(CC4)CCO4)n3)nnc1c5cccc(F)c5,0.0
54104,CO-ADD:0319379,0.85,C(=S)(N(CC1)CCN1c2ccccc2OC)NC(=O)c3ccc(cc3)Br,0.0
54105,CO-ADD:0319970,0.85,c1(ccccc1Cl)C(NCCOc2ccccc2)=O,0.0
54106,CO-ADD:0327444,0.85,N(CC1)(CCN1CCC(=O)Nc(cc2)ccc2OC(F)(F)F)c3ccccc3C,0.0
54107,CO-ADD:0327773,0.85,[nH](c(ccc(c1)OC)c1c2CCNCc([nH]cn3)c3C)c2C,0.0
54108,CO-ADD:0328952,0.84,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(c(OCC)c3)O)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
54109,CO-ADD:0328392,0.84,c1(nnc(c(cc2)ccn2)s1)N(CC=C)C(=O)Nc(cc3)ccc3OC,0.0
54110,CO-ADD:0258514,0.84,c1(N(CC)CC)nc(Nc2ccccc2OC)nc(Nc3cc(C)ccc3C)n1.Cl,0.0
54111,CO-ADD:0258546,0.84,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccs5,0.0
54112,CO-ADD:0328400,0.84,[nH]1c(C)c(c(cccc2N\C=C(/C(OCC)=O)\C(OCC)=O)c12)C,0.0
54113,CO-ADD:0258650,0.84,c1(SCC(=O)c(cc2)ccc2C(=O)CSc3nc(C)cc(C)c3C#N)nc(C)cc(C)c1C#N,0.0
54114,CO-ADD:0283025,0.84,C(NC1CC1)(C2(CCCCC2)OC3=O)=C3,0.0
54115,CO-ADD:0328700,0.84,c(CN(Cc1ccccc1)C(CCC(O)=O)=O)(c(C)n(c2C(OCC)=O)[H])c2C,0.0
54116,CO-ADD:0278304,0.84,S(=O)(=O)(Nc(cc1)ccc1Cl)c2c(OC)ccc(C(O)=O)c2,0.0
54117,CO-ADD:0278817,0.84,n1c2c(oc1c3ccc(cc3)NC(=O)C(F)(F)F)ccc(Cl)c2,0.0
54119,CO-ADD:0329170,0.84,n1(c2c(OC)ccc(OC)c2)c(S)nnc1c3[nH]nc(C4CC4)c3,0.0
54120,CO-ADD:0258685,0.84,c1(OC(=O)C=C2C)c2ccc(OC(C)=O)c1C(C)=O,0.0
54121,CO-ADD:0258733,0.84,N1(c2ccc(cc2)Cl)C(=O)C(SC1c3ccc(cc3)OC)C,0.0
54122,CO-ADD:0258503,0.84,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc(I)cc4I)c4OC)\C1=O,0.0
54123,CO-ADD:0328110,0.84,C1(C(NCCc(c2c([nH]3)cccc2)c3C)=O)=Cc4c(OC1=O)cccc4,0.0
54124,CO-ADD:0327658,0.84,c1(N(CC2)CCO2)nc(OCC#N)nc(NCC)n1,0.0
54125,CO-ADD:0258623,0.84,C1(C(=O)OC2CCCCCC2)=C(C)NC(NC1c3cccc(cccc4)c34)=O,0.0
54126,CO-ADD:0259073,0.84,c(c1c2ccccc2)(C3c4ccccc4F)c([nH]n1)OC(N)=C3C#N,0.0
54127,CO-ADD:0327674,0.84,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1Cc5ccccc5)CC,0.0
54128,CO-ADD:0329466,0.84,c1([nH]nc2c3cccs3)c2C(N(c4ccccc4)C1=O)c5ccccc5,0.0
54129,CO-ADD:0257729,0.84,c1(N\N=C\c(ccc2c(cc3)ccc3C(OC)=O)o2)[nH]c(c4n1)cccc4,0.0
54130,CO-ADD:0258374,0.84,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc5Sc6sc7c(ccc(OCC)c7)n6)o5,0.0
54131,CO-ADD:0329474,0.84,C12(CC(CC3C1)CC(C3)C2)C(=O)N(CC4)CCN4c5ccc(c(Cl)c5)C,0.0
54132,CO-ADD:0257659,0.84,c(c(C)cc(c1NC(=O)c2cccs2)C)(NC(=O)c3cccs3)c1C,0.0
54133,CO-ADD:0257668,0.84,N1(CC=C)C(=S)NN=C1c(cc2)ccc2C(C)(C)C,0.0
54134,CO-ADD:0325967,0.84,[N+](=O)([O-])c(cc(Oc1ccccc1)c(c23)C=Cc(cccc4)c4O2)c3,0.0
54135,CO-ADD:0279158,0.84,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c(cc4OCC)cc(c4O)Br,0.0
54136,CO-ADD:0329843,0.84,c1(C(=O)N(C)C(N2C)=O)c2nc(oc(c3ccccc3)c4CC)n14,0.0
54137,CO-ADD:0326097,0.84,c1(S(CCC)(=O)=O)c2n(cc1S(CCC)(=O)=O)cccc2N,0.0
54138,CO-ADD:0284685,0.84,N(c1ccccc1Cl)(C(=O)C(C23)C(C(C)=O)=NN2c4ccc(cc4)Cl)C3=O,0.0
54139,CO-ADD:0319953,0.84,n1(nnc(C(OCC)=O)c1CNc(ccc(c2Br)C)c2)c3nonc3N,0.0
54140,CO-ADD:0320476,0.84,C1(NC(CSCC(=O)Nc(ccc(c23)cccc2)c3)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
54141,CO-ADD:0318731,0.84,C(=N\c(cc1)ccc1OC(F)(Cl)F)(/SC(C(=O)Nc(cc2)ccc2C(O)=O)CC3=O)\N3C,0.0
54142,CO-ADD:0319552,0.84,C(=C\NCc(ccc(c1Cl)Cl)c1)(/C(=O)C2)\C(=O)CC2c3ccc(cc3)Cl,0.0
54143,CO-ADD:0318740,0.84,N1(CCc(cccc2)c12)C(=O)c3cccc(c3C)[N+](=O)[O-],0.0
54144,CO-ADD:0318933,0.84,n1c(c2ccc(cc2)OCc3ccccc3F)[nH]c(c4ccccc4)c1c5ccccc5,0.0
54145,CO-ADD:0321137,0.84,C1(=O)\C(\CCc2c1cccc2OC)=C\c(cc3)ccc3N(C)C,0.0
54146,CO-ADD:0327694,0.84,c(NC(=O)Cn(nnc1c2ccccc2Cl)n1)(c(C(N)=O)nn3c4ccccc4)n3,0.0
54147,CO-ADD:0327310,0.84,n12c(S\C(=C/c3cc(Br)ccc3OC)\C1=O)nnc2c4ccccc4,0.0
54148,CO-ADD:0327222,0.84,C(NCCOc1ccccc1OC)(=O)c(cc2)ccc2C(C)(C)C,0.0
54149,CO-ADD:0329008,0.84,C1(C2=O)C(C(NC1(CCSC)C(O)=O)c3cccc(OC)c3O)C(N2c4ccc(cc4)OC)=O,0.0
54150,CO-ADD:0328080,0.84,S(=O)(=O)(Nc(cc1)ccc1CC(O)=O)c2c(C)ccc(OC)c2,0.0
54151,CO-ADD:0258507,0.84,[n+](cnn1Cc(cc2)ccc2Cl)(nc(C)c(c3[O-])CC)c13,0.0
54152,CO-ADD:0258643,0.84,c1(c2c(s3)CCCC2)c3N=CN(\N=C\c(cc4OCC)cc(c4OCc(cc5)ccc5Cl)Br)C1=O,0.0
54153,CO-ADD:0259068,0.84,c(c1c2ccccc2)(C3c4ccc(cc4)OC)c([nH]n1)OC(N)=C3C#N,0.0
54154,CO-ADD:0283331,0.84,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2)F,0.0
54155,CO-ADD:0328317,0.84,n12c(cc(c3ccc(cc3)OC)c1)cc(c(C#N)c2N4CCCC4)C,0.0
54156,CO-ADD:0328341,0.84,S(=O)(=O)(NCc1ccccc1)c2cc(C)cc(cccn3)c23,0.0
54157,CO-ADD:0283310,0.84,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4cccc(Oc5ccccc5)c4)cccc3,0.0
54158,CO-ADD:0328238,0.83,c1(c(O)c(C)c(c(NS(=O)(=O)c2ccc(cc2)OC)c1)C)S(c3ccccc3)(=O)=O,0.0
54159,CO-ADD:0326677,0.83,C(C#N)(C(c1ccc(cc1Cl)Cl)C2=C(N3c4ccccc4Cl)CCCC2=O)=C3N,0.0
54160,CO-ADD:0328985,0.83,c1(SCC(=O)Nc(cc2)ccc2NC(C)=O)nccn1Cc3ccccc3,0.0
54161,CO-ADD:0259771,0.83,C(/S\C(\N1CC)=N/c(ccc(c23)sc(C)n2)c3)(=C(/C=Cc(c45)cccc4)\N5CC)\C1=O,0.0
54162,CO-ADD:0329017,0.83,C1(c2c(N3Cc4ccccc4F)cccc2)(NC(C(C(N5Cc6ccccc6)=O)C1C5=O)CCSC)C3=O,0.0
54163,CO-ADD:0260099,0.83,C1(C(=O)OC2CCCC2)=C(C)NC(NC1c3cccc(OCC)c3)=O,0.0
54164,CO-ADD:0331423,0.83,c1(C(OCC)=O)c(cc(oc(c2C(OCC)=O)N)c2c3c4ccc(c(Cl)c4)C)c3oc1N,0.0
54165,CO-ADD:0330831,0.83,c1(c(C)c(Cl)c(nc1Oc(cc2)ccc2F)C)C(=O)Nc3c(C)cc(cc3C)C,0.0
54166,CO-ADD:0258521,0.83,C1(\N=C\c(ccc2c(c(C)c3)cc(c3[N+](=O)[O-])C)o2)=C(C)N(N(c4ccccc4)C1=O)C,0.0
54167,CO-ADD:0257996,0.83,N(C(=O)c(cc1)ccc1N2C(=O)CCC2=O)(C(C(CCCCC(OCC)=O)=O)=C(N3C(=O)c(cc4)ccc4N5C(=O)CCC5=O)C)C3=O,0.0
54168,CO-ADD:0257405,0.83,N(NC(c1ccccc1)=O)(C(=O)C(C23)C(C=C4)OC24)C3=O,0.0
54169,CO-ADD:0329907,0.83,C(CNC(=O)c1ccc(cc1)OCC)(CC2CC3CC4(C2)CNC(=O)c5ccc(cc5)OCC)(C3)C4,0.0
54170,CO-ADD:0257398,0.83,N(Cc1ccccc1Cl)(c(c2)c(N3Cc4ccccc4Cl)cc([N+](=O)[O-])c2[N+](=O)[O-])C3=O,0.0
54171,CO-ADD:0329939,0.83,C(=O)(Nc1ccccc1)C(=O)NCC2OCCc(cccc3)c23,0.0
54172,CO-ADD:0329834,0.83,c1(C(=O)N(C)C(N2C)=O)c2nc(NN=C3c4ccccc4)n1C3CC,0.0
54173,CO-ADD:0257692,0.83,N1(CC(=O)OC2CCCCC2)C(=O)C(C(C(c3c4cccc3)c5c6cccc5)C1=O)C46,0.0
54174,CO-ADD:0330050,0.83,c12c(CC(C)O1)c(c3c(cccc3)n2)C,0.0
54175,CO-ADD:0284441,0.83,N1(C(=O)Cc(cc2)ccc2C)N=C(CC1(O)c(cccn3)c3)C,0.0
54176,CO-ADD:0284314,0.83,c1(N\N=C(/CCC)\N=Nc(cc2)ccc2[N+](=O)[O-])sc(c3n1)cccc3,0.0
54177,CO-ADD:0326554,0.83,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(c(Cl)c4)Cl,0.0
54178,CO-ADD:0284806,0.83,c1(nc(c2ccccc2)cc3C(F)(F)F)n3nc(C(=O)Nc(cc4OC)cc(c4OC)OC)c1Br,0.0
54179,CO-ADD:0327422,0.83,N1(C(=O)c2ccc(cc2)C)C(C(O)=O)CSC1c3ccccc3Cl,0.0
54180,CO-ADD:0284759,0.83,c12c(nnc(SC(CC)C(=O)Nc3sc(c4c3C#N)CCCC4)n1)c(c5n2C(C)C)cccc5,0.0
54181,CO-ADD:0284824,0.83,c1(nn(cn1)CC(=O)N(c2c3cccc2)c4c(S3)cccc4)[N+](=O)[O-].Cl.Cl,0.0
54182,CO-ADD:0318892,0.83,c1(C2c3cc(Cl)cc(Cl)c3OC)c([nH]nc1c4ccc(cc4)F)OC(N)=C2C#N,0.0
54183,CO-ADD:0318908,0.83,N1(NC(=C(\C(\C)=N\c(cc2)ccc2Cl)C1=O)CSc(cc3)ccc3Cl)c4sc(c5n4)cccc5,0.0
54184,CO-ADD:0318776,0.83,c1(NC(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)sc(c3c1C#N)CCC3,0.0
54185,CO-ADD:0320175,0.83,c1(CNC(=O)c(cc2OC)cc(c2OC)OC)c(c3ccccc3)cc(nc1SC)c4ccccc4,0.0
54186,CO-ADD:0323410,0.83,c1(nc(c2n1CC(=O)N\N=C\c3c[nH]nc3c4ccc(cc4)F)cccc2)c5nonc5N,0.0
54187,CO-ADD:0324169,0.83,n1(c2ccc(cc2)OCC(=O)Nc(cc3)ccc3OC(F)(F)Cl)cnnn1,0.0
54188,CO-ADD:0328504,0.83,N1(c(cc2)ccc2S(=O)(=O)Nc3ccccc3C)C(=O)N(N(C)C1=O)C,0.0
54189,CO-ADD:0328672,0.83,n12c(ccc(n1)N3C(=O)C=CC(=O)N3)nnc2C(F)(F)F,0.0
54190,CO-ADD:0326350,0.83,C(/C(=O)NCC1CCCO1)(\NC(c2ccccc2)=O)=C\c(ccc3c4ccc(cc4)C)o3,0.0
54191,CO-ADD:0259076,0.83,C1(C#N)(C#N)C(c2ccccc2F)C3C(C(C#N)=C1N)=CCCC3,0.0
54192,CO-ADD:0258316,0.83,C(F)(F)(F)C(=O)Nc1ccc(cc1NC(=O)C(F)(F)F)C(O)=O,0.0
54193,CO-ADD:0326351,0.83,C(/C(=O)NCc(cc1)ccc1F)(\NC(c2ccccc2)=O)=C\c(ccc3c4ccc(cc4)C)o3,0.0
54194,CO-ADD:0326520,0.83,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(c5c4)OCO5,0.0
54195,CO-ADD:0284120,0.83,C(=O)(Nc1cccc(Cl)c1)CCN(CC2)CCN2C.Cl,0.0
54196,CO-ADD:0327600,0.83,c1(cnc(C)n1CC(=O)Nc(c(C(N)=O)nn2c3ccccc3)n2)[N+](=O)[O-],0.0
54197,CO-ADD:0284081,0.83,C(=N/c(cc1)ccc1F)(/SC=C2c(cc3)ccc3C4CCCCC4)\N2CCc5ccccc5.Br,0.0
54198,CO-ADD:0284089,0.83,c(cc1C)(c2c(n1)cccc2)C(N)=O,0.0
54199,CO-ADD:0326224,0.83,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3Br)\NC(=O)c4ccco4)c1C,0.0
54200,CO-ADD:0279017,0.83,C(=C/c(ccc(c1OCC)OCc(cc2)ccc2F)c1)(/C(=O)NC(N3)=O)\C3=O,0.0
54201,CO-ADD:0326346,0.83,N1(CC(C)OC(c2ccc(cc2)OC)O1)C(=O)c(ccc(c34)OCO3)c4,0.0
54202,CO-ADD:0259749,0.83,c1(nnc(C)s1)NC(=O)C(CC)Sc2nc(C)cc(C)n2,0.0
54203,CO-ADD:0326194,0.83,N(C(=O)c1cccc(Cl)c1)C(=O)Nc2cc([nH]n2)C,0.0
54204,CO-ADD:0259783,0.83,C1(c2ccccc2C)=NNC(=S)N1C3CCCCC3,0.0
54205,CO-ADD:0326115,0.83,N12C(S\C(=C/c(ccc3c(ccc(c4C(O)=O)Cl)c4)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
54206,CO-ADD:0257510,0.83,N1(C2CCCCC2)C(=O)\C(\SC1=S)=C/c(ccc3c(cc4)ccc4[N+](=O)[O-])o3,0.0
54207,CO-ADD:0327819,0.82,c1([C@H]([C@](C)(C(C)(C)[C@@H]23)CC2)C3)cc(C(C)=CC(=O)O4)c4cc1OC(=O)C,0.0
54208,CO-ADD:0257959,0.82,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c2ccccc2Sc(cc3)ccc3Cl,0.0
54209,CO-ADD:0328019,0.82,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/NCc(cc3)ccc3S(N)(=O)=O,0.0
54210,CO-ADD:0258015,0.82,S(=O)(=O)(c1ccc(cc1)C)N(CC(=O)Nc(cc2)ccc2C(C)C)c3c(OC)ccc(Cl)c3,0.0
54211,CO-ADD:0329858,0.82,C1(N\C(\C)=C(\C(=O)c(c23)cccc2)/C3=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
54212,CO-ADD:0284434,0.82,s1c(\C=N\NC(=S)Nc(cc2)ccc2C)ccc1Br,0.0
54213,CO-ADD:0277421,0.82,c1(SCc2ccc(c3c2cccc3)F)[nH]c(c4n1)cccc4,0.0
54214,CO-ADD:0328268,0.82,n1(c2c(C)cc(cc2C)C)nnnc1SCC(=O)Nc3ccc(c(cccn4)c34)Br,0.0
54215,CO-ADD:0329156,0.82,c1(c2c3c(cccc3)ncc2c4ccc(c5n4)cccc5)n(C)c6c(cccc6)n1,0.0
54216,CO-ADD:0328565,0.82,C(Nc(cc1)ccc1OC(F)(F)F)(C(OC)=O)(NC(C)=O)C(F)(F)F,0.0
54217,CO-ADD:0284736,0.82,n1c(c2ccc(cc2)F)[nH]c(c3c(cccc3)c(cccc4)c45)c15.CC(=O)O,0.0
54218,CO-ADD:0278729,0.82,N1(CC)\C(\SCC1=O)=N/N=C(\C)/c(cc2)ccc2c3ccccc3,0.0
54219,CO-ADD:0278265,0.82,C(=S)(c(cc1)cc(c1OC(=O)\C=C\c(ccc(c2OC)OC)c2)OCC)N(CC3)CCO3,0.0
54220,CO-ADD:0278125,0.82,S(=O)(=O)(N(CC)CC)c(cc1)ccc1C2=CS\C(=N/c(cccc3C(F)(F)F)c3)\N2CCc(cc4)ccc4S(N)(=O)=O.Br,0.0
54221,CO-ADD:0277901,0.82,C1(=CNNC1=O)[N+](=O)[O-],0.0
54222,CO-ADD:0277878,0.82,C12=C(CC(c3ccccc3)CC1=O)NC(C)=C(C#N)C2c4ccc(c5c4)OCO5,0.0
54223,CO-ADD:0318660,0.82,c(c1c(cc2)ccn2)(C3c(cc4OC)cc(c4OCC)OC)c([nH]n1)OC(N)=C3C#N,0.0
54224,CO-ADD:0319187,0.82,C1(NC(=O)c2ccoc2C)=C(C)N(N(c3ccccc3)C1=O)C,0.0
54225,CO-ADD:0319466,0.82,[N+](=O)([O-])c(cc(cc1C(NCCOc(cc2)ccc2CCC)=O)C(NCCOc(cc3)ccc3CCC)=O)c1,0.0
54226,CO-ADD:0319498,0.82,N1(c(cccc2C(F)(F)F)c2)C(\C=C\c3ccccc3)Nc(c4C1=O)cccc4,0.0
54227,CO-ADD:0318857,0.82,c1(C2c3ccccc3F)c([nH]nc1c4ccc(c(OC)c4)OCC)OC(N)=C2C#N,0.0
54228,CO-ADD:0318758,0.82,n1(c2ccccc2)c(SCC(=O)Nc(cc3)ccc3Br)nnc1c4cccc(F)c4,0.0
54229,CO-ADD:0318702,0.82,c12c(n(c(N3CCCCC3)n1)CCC\N=C(/CCCC4)\N4)C(N(C)C(=O)N2C)=O,0.0
54230,CO-ADD:0328736,0.82,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)Nc2cccc(OCCCCCC)c2)Cl)c1,0.0
54231,CO-ADD:0329129,0.82,C(=O)(Nc(cc1)ccc1CC#N)c2ccccc2F,0.0
54232,CO-ADD:0326560,0.82,n1(c2C)c(cc(C)n1)nc(C)c2CC(OCC)=O,0.0
54233,CO-ADD:0258301,0.82,c1(sc(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3[N+](=O)[O-])OC)c3,0.0
54234,CO-ADD:0326568,0.82,C(C(OC)=O)(Nc1cccc(C)c1Cl)(C(F)(F)F)NC(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
54235,CO-ADD:0325938,0.82,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2CC(=O)Nc(cc3)ccc3C(C)C,0.0
54236,CO-ADD:0284883,0.82,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)S\C(\NCC)=N\CCc(ccc(c3OC)OC)c3,0.0
54237,CO-ADD:0283899,0.82,C(=C\c1cc(Br)ccc1OCc(cc2)ccc2F)(/C(=O)NC(N3)=O)\C3=O,0.0
54238,CO-ADD:0278262,0.82,c1(Sc2ccc(\C=N\NC(=O)c3ccco3)o2)nnc(c4ccccc4)n1c5ccccc5,0.0
54239,CO-ADD:0278621,0.82,N1(c2ccccc2)C(=O)CC(N3CCCC(CO)C3)C1=O,0.0
54240,CO-ADD:0329223,0.82,n1(CC=C)c(SCC(=O)Nc(ccc(c23)OCCO2)c3)nnc1c4cccs4,0.0
54241,CO-ADD:0277373,0.81,C(=C\c1ccccc1OCC=C)(/C(c2ccccc2)=NN3c(cc4)ccc4[N+](=O)[O-])\C3=O,0.0
54242,CO-ADD:0277381,0.81,c1(ccccc1NC(=O)c2ccc(cc2)NC(=O)c3cccs3)C(O)=O,0.0
54243,CO-ADD:0260103,0.81,N1(c2ccc(cc2)Cl)C(=O)CC(N(CCc(ccc(c3OC)OC)c3)C(=O)c4ccc(cc4)Cl)C1=O,0.0
54244,CO-ADD:0259364,0.81,C(C#N)(C1c2ccc(cc2)C)=C(N)SC(N)=C1C#N,0.0
54245,CO-ADD:0283970,0.81,C(C(=O)OC1CCCCC1)(C2c3ccc(cc3)OC)=C(C)NC(CC(c4ccc(cc4)OC)CC5=O)=C25,0.0
54246,CO-ADD:0328155,0.81,S(=O)(=O)(N(CC1)CCC1C(=O)Nc(cc2)ccc2OCC)c3ccc(c4c3cccn4)OC,0.0
54247,CO-ADD:0331833,0.81,C(C#N)(C1=O)=C(c2ccccc2)N=C(SCC(=O)Nc3ccccc3)N1,0.0
54248,CO-ADD:0257377,0.81,c1(N\N=C/c(cc2)cc(c2OC(C)=O)OC)nncn1N,0.0
54249,CO-ADD:0327988,0.81,N1=C(CSc(nc(c2cccs2)cc3C(F)(F)F)n3)c(c4CC1(C)C)cccc4,0.0
54250,CO-ADD:0329699,0.81,c1(C(F)(F)F)cc(n(CC(NCCc(c2c([nH]3)ccc(OC)c2)c3C)=O)n1)C,0.0
54251,CO-ADD:0329332,0.81,[N+]1(C)=NOC(=N)[C-]1CCCCCCCCC.Cl,0.0
54252,CO-ADD:0257993,0.81,c12c(nnc(SCC(=O)Nc3cccc(cccc4)c34)n1)c5c(cccc5)n2CCC,0.0
54253,CO-ADD:0278404,0.81,c(nc(c1ccco1)cc2C(F)(F)F)(c3Br)n2nc3C(=O)N(CC4)CCN4C(c5ccccc5)c6ccccc6,0.0
54254,CO-ADD:0327918,0.81,c1(N2CCCCC2)nc(OCC=C)nc(OCC)n1,0.0
54255,CO-ADD:0278847,0.81,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cccc3C(F)(F)F)c3)\N2CCc(cc4)ccc4OC)N(CC5)CCO5.Br,0.0
54256,CO-ADD:0329823,0.81,N1(N)C(=S)NN=C(Cc(cc2)ccc2OC)C1=O,0.0
54257,CO-ADD:0278864,0.81,C1(=S)c(cccc2C)c2CC(C)(C)N1,0.0
54258,CO-ADD:0325955,0.81,N1(C(c2ccccc2)C(C3=N1)COC(C)(C)C3)C(=O)c4ccco4,0.0
54259,CO-ADD:0326341,0.81,c1(NC(=O)C(C(F)(F)F)C(F)(F)F)sc(c2c1C#N)CCCC2,0.0
54260,CO-ADD:0327544,0.81,c(S(=O)(=O)NCc(cc1)ccc1Cl)(nn(c23)c(C)c(c(C)n2)C)n3,0.0
54261,CO-ADD:0327713,0.81,S(=O)(=O)(c1ccc(cc1)F)N2Cc3c(CC2C(=O)Nc4ccc(cc4C)C)cccc3,0.0
54262,CO-ADD:0327225,0.81,c1(CN(c2ccc(cc2)C)C(=O)Nc(ccc(c3Cl)Cl)c3)nnc(CCCCC4)n14,0.0
54263,CO-ADD:0320371,0.81,[nH]1c(cccc2)c2c(CCNC(Cc(cc3)ccc3OC)=O)c1C,0.0
54264,CO-ADD:0318969,0.81,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4cccs4)n1Cc5ccccc5,0.0
54265,CO-ADD:0318679,0.81,C1(c(cccc2)c2N3C(C)=O)(C4=C(CC(c5ccco5)CC4=O)OC(N)=C1C#N)C3=O,0.0
54266,CO-ADD:0320425,0.81,n1c(N2CCCCC2)nc(nc1N(CC3)CCN3c4cccc(Cl)c4)Nc(cc5)ccc5OC(F)(F)F,0.0
54267,CO-ADD:0318760,0.81,n1(c2ccccc2)c(SCC(=O)Nc3ccccn3)nnc1c4ccco4,0.0
54268,CO-ADD:0318889,0.81,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C4=C(CC(c5ccco5)CC4=O)OC(N)=C2C#N,0.0
54269,CO-ADD:0329153,0.81,N1(c2cccc(c2)[N+](=O)[O-])C(c3ccccc3Cl)C(C1=O)Oc4ccc(cc4C)Cl,0.0
54270,CO-ADD:0329161,0.81,S(=O)(=O)(Nc(cc1)ccc1C)c(ccc(c2O3)N(C3=O)C)c2,0.0
54271,CO-ADD:0329130,0.81,N#CCc(cc1)ccc1NC(CCc(cc2)ccc2OC)=O,0.0
54272,CO-ADD:0327429,0.81,N1(c(cc2)ccc2C(OCC)=O)C(c3ccc(cc3)OCC)C(C1=O)Oc4ccccc4,0.0
54273,CO-ADD:0283836,0.81,N1(c2ccc(cn2)Cl)C(=O)c(c3C1=O)ccc(C(=O)c(cccc4[N+](=O)[O-])c4)c3,0.0
54274,CO-ADD:0327391,0.81,N1(c2cccc(Cl)c2)C(c3ccc(c4c3)OCO4)C(C1=O)Oc5ccc(cc5C)Cl,0.0
54275,CO-ADD:0327263,0.81,C(C(=O)c1ccc(cc1)OC)(C2c3cccc(OC)c3)=C(O)C(N2c4ccc(cc4)OCC(O)=O)=O,0.0
54276,CO-ADD:0284805,0.81,c1(cc(C)ccc1C(C)C)OCC(=O)Nc2ccccc2N(C)C,0.0
54277,CO-ADD:0283862,0.81,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4cc5c(cc4Br)OCO5,0.0
54278,CO-ADD:0278551,0.81,n1(nc(s2)SCC(=O)Nc(cc3)ccc3Br)c2nnc1SCC(=O)Nc(cc4)ccc4Br,0.0
54279,CO-ADD:0329231,0.81,C(=N/OCC(=O)Nc1ccccc1Cl)(/C(C)=Nc(c23)cccc2)\C(C)=N3,0.0
54280,CO-ADD:0329384,0.81,c1(N2CCCCC2c3ccccn3)nc(N\N=C\c(c(O)ccc4[N+](=O)[O-])c4)nc(OCC(F)(F)F)n1,0.0
54281,CO-ADD:0278336,0.81,N1(c(cccc2C(F)(F)F)c2)C(CSc3nnnn3c4ccccc4)=Nc(c5C1=O)cccc5,0.0
54282,CO-ADD:0278177,0.81,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(O)=O)c2c(OC)ccc(Cl)c2,0.0
54283,CO-ADD:0329728,0.81,N(=C(SC)NN=C1Cc(cc2)ccc2OC)C1=O,0.0
54284,CO-ADD:0277978,0.81,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c(ccc3c4c(cccc5)c5n3CC)c4)NC(c6ccccc6)=O,0.0
54285,CO-ADD:0329495,0.8,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N(CC3)CCN3c4ccc(c(Cl)c4)C,0.0
54286,CO-ADD:0284182,0.8,N1(c2ccc(cc2)I)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
54287,CO-ADD:0258687,0.8,c1(OC(=O)C=C2C)c2ccc(OC(CC)=O)c1C(C)=O,0.0
54288,CO-ADD:0327239,0.8,N1(Cc2ccco2)C(=O)\C(\SC1=S)=C\c(cc3)ccc3OCc4ccccc4F,0.0
54289,CO-ADD:0258935,0.8,N1(c2cccc(C)c2C)C(CSc3n(C)c4c(cccc4)n3)=Nc(c5C1=O)cccc5,0.0
54290,CO-ADD:0330853,0.8,C1(CCCC1)(c2ccccc2)C(NCCCN(CC3)CCO3)=O,0.0
54291,CO-ADD:0332298,0.8,N(Cc1ccccc1)(C(=O)C(N2NC(=O)c3ccc(cc3)Br)CC(N[H])=O)C2=S,0.0
54292,CO-ADD:0327395,0.8,n1(n2)c(nc(cc1C(F)(F)Cl)c3ccco3)cc2C(=O)N4CCCCCC4,0.0
54293,CO-ADD:0329212,0.8,[N+](=O)([O-])c(ccc(c1C(NCCc(c2c([nH]3)ccc(OC)c2)c3C)=O)Cl)c1,0.0
54294,CO-ADD:0257434,0.8,N1(c(cc2)ccc2C(=O)Nc3ccc(cc3C)O)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5ccc(cc5C)O,0.0
54295,CO-ADD:0327876,0.8,P1(=O)(N(C)C)Sc(c2N1)cccc2,0.0
54296,CO-ADD:0257962,0.8,N1(c2ccc(cc2C)C)C(=O)C3C(C(\C(=C(/CCC4)\C4)\C35)C=C5)C1=O,0.0
54297,CO-ADD:0327283,0.8,N(Cc1ccccc1)(C(=O)C(C23)C(CC(O)=O)NC24c5c(NC4=O)cccc5)C3=O,0.0
54298,CO-ADD:0277419,0.8,N1(CN2CCC(CC2)C)C(=O)\C(\SC1=S)=C/c(cc3)ccc3C(C)(C)C,0.0
54299,CO-ADD:0278699,0.8,C(=O)(C(OC)=O)C(c1ccccc1)S\C(\Nc2ccccc2)=N/c3ccccc3,0.0
54300,CO-ADD:0326175,0.8,c1(NC(=O)c2ccccc2Cl)n(c3ccccc3Cl)ncc1C(=O)N4CCCC4,0.0
54301,CO-ADD:0283580,0.8,c1(\C=N\c(cc2)ccc2N(C)C)c(Sc3ccccc3)cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
54302,CO-ADD:0278366,0.8,c1(cc(cc(Sc2ccccc2)c1C=O)[N+](=O)[O-])[N+](=O)[O-],0.0
54303,CO-ADD:0278654,0.8,c1(SCC(=O)Nc(ccc(c2Cl)C)c2)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
54304,CO-ADD:0327561,0.8,c1(C(=O)NCc2ccccc2)c(C)c(Cl)c(nc1Cl)C,0.0
54305,CO-ADD:0277734,0.8,N1(CCc(cccc2)c12)C(=O)c3ccc4c(c(ccc5)CC4)c35,0.0
54306,CO-ADD:0277926,0.8,C(c1ccccc1)(=O)N(CC2)CCN2C(c3ccccc3)=O,0.0
54307,CO-ADD:0327569,0.8,N1(CC)C(C)=NNC1=S,0.0
54308,CO-ADD:0327338,0.8,C1(=S)NC(NN1c2ccccc2)(C)CCC(O)=O,0.0
54309,CO-ADD:0278135,0.8,c1(NC(CSc2nncn2C)=O)sc(c3c1C#N)CCC3,0.0
54310,CO-ADD:0318954,0.8,c12c(C(N(C)C(=O)N1C)=O)n(c(N3CCCCCC3)n2)CC(=O)c4ccc(cc4)OC,0.0
54311,CO-ADD:0320439,0.8,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/Nc3cc(ccc3C(OC)=O)C(OC)=O,0.0
54312,CO-ADD:0321108,0.8,c1(NC(COc2ccccc2[N+](=O)[O-])=O)sc(c(C)c1C(OCC)=O)C,0.0
54313,CO-ADD:0328306,0.8,C(C(=O)c1ccc(cc1)OC)(C2c3cccc(O)c3)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
54314,CO-ADD:0329572,0.8,S(=O)(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(OCC)=O)c2ccc(c(Cl)c2OC)Cl,0.0
54315,CO-ADD:0328387,0.8,n(c1c(s2)cccc1)(c(S)nn3)c23,0.0
54316,CO-ADD:0284590,0.8,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3Cl)\N2CCCO)N4CCCC4.Br,0.0
54317,CO-ADD:0328964,0.8,c(cc1C)ccc1c2nnnn2C3CC(=O)[C@H](O4)O[C@@H]3C4,0.0
54318,CO-ADD:0284287,0.8,C1(=Cc2c(OC1=O)cccc2)C(=O)n3cc(cn3)Br,0.0
54319,CO-ADD:0278457,0.8,N1(c2ccc(cc2)Cl)C(C)(O)C3(OC1=O)CCCCC3,0.0
54320,CO-ADD:0329760,0.8,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)N(C(=O)N1)CCCC,0.0
54321,CO-ADD:0283044,0.8,N1(CC)C(=S)NN=C1c2cccc(Cl)c2,0.0
54322,CO-ADD:0326397,0.8,c(SC(F)(F)F)(c(Cl)c(Cl)nc1Nc(cc2)ccc2C)c1Cl,0.0
54324,CO-ADD:0258873,0.8,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4Cc5ccccc5,0.0
54325,CO-ADD:0258706,0.8,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)NC(=O)c4ccccc4F)n1,0.0
54326,CO-ADD:0327776,0.8,n1(c2ccc(cc2)OC)nnnc1SCC(=O)N3CCCC[C@]3([H])c(cccn4)c4,0.0
54327,CO-ADD:0258883,0.8,C1(=S)NC(NN1c2ccccc2)(CCCCC)CCCCC,0.0
54328,CO-ADD:0326085,0.8,C(c1ccccc1)(CC2)(CCN2CCC(=O)Nc(ccc(c3Br)C)c3)C(OCC)=O.Cl,0.0
54329,CO-ADD:0258915,0.79,c1(c2ccco2)nnc(SCc(cc3)ccc3C(O)=O)o1,0.0
54330,CO-ADD:0331848,0.79,c(c1c(s2)CCC1)(C3=O)c2N=C(SCC(NCCc(ccc(c4OC)OC)c4)=O)N3c5ccccc5,0.0
54331,CO-ADD:0331856,0.79,N1(c2ccccc2)C(=O)N(N(Cc(cccc3[N+](=O)[O-])c3)C1=O)Cc(cccc4[N+](=O)[O-])c4,0.0
54332,CO-ADD:0331809,0.79,c1(c(Cl)c(C#N)c(c(N\N=C\c(cc2)ccc2OC)n1)Cl)SC(F)(F)C(F)(F)F,0.0
54333,CO-ADD:0257483,0.79,C1(C(=O)OCC2CCCO2)=C(C)NC(NC1c(cc3OC)cc(c3OC)OC)=O,0.0
54334,CO-ADD:0327716,0.79,n1(c2c(s3)cccc2)c3nnc1SCc(cc4)ccc4OC,0.0
54335,CO-ADD:0257763,0.79,N1(N(C)C)\C(=N\c2ccccc2)\S\C(=C\c3cc(OC)ccc3OC)\C1=O,0.0
54336,CO-ADD:0327741,0.79,C1(Nc(cc2)ccc2OC)(C(F)(F)F)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
54337,CO-ADD:0257835,0.79,c(C#N)(c(\C(\C#N)=C\c(ccc(c1[N+](=O)[O-])N(CC2)CCN2C)c1)nn3c4ccccc4)c3N,0.0
54338,CO-ADD:0283817,0.79,S(=O)(=O)(N1CCCCC1)c2csc(C(=O)Nc(cccc3[N+](=O)[O-])c3)c2,0.0
54339,CO-ADD:0283800,0.79,c(ccc1C(c2ccccc2)=O)(o1)C(=O)N(C3CCCCC3)C4CCCCC4,0.0
54340,CO-ADD:0284296,0.79,N1(Nc2cc(Br)ccc2C(CC)=O)c3c(C(=O)C1(C)OC)ccc(Br)c3,0.0
54341,CO-ADD:0283801,0.79,c(ccc1C(c2ccccc2)=O)(o1)C(=O)N(C(C)C)C(C)C,0.0
54342,CO-ADD:0328682,0.79,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c(cccc4C(=O)Nc(cccc5[N+](=O)[O-])c5)c4,0.0
54343,CO-ADD:0328722,0.79,N(c1ccc(c(F)c1)Cl)(C(=O)C(C2ON3c4ccccc4)C3c5ccccc5)C2=O,0.0
54344,CO-ADD:0277887,0.79,N1(CCCC(=O)[O-])C(C)(O)C(OC1=O)(C)CC\C=C(\C)/C.[Na+],0.0
54345,CO-ADD:0277951,0.79,N1(C2c3ccccc3OC)C(S\C(=C\c4cccs4)\C1=O)=NC(c5ccccc5)=C2C(OCC)=O,0.0
54346,CO-ADD:0321123,0.79,[N+](=O)([O-])c1ccccc1OCC(=O)Nc(cc2)ccc2F,0.0
54347,CO-ADD:0319026,0.79,c1(NC(=O)c(cc2)cc(c2[N+](=O)[O-])C)sc(c3c1C(OCC)=O)CCCCC3,0.0
54348,CO-ADD:0319563,0.79,N1(CC)\C(=N/CC)\S\C(=C/c(cn(n2)C(C)=O)c2c3ccc(cc3)F)\C1=O,0.0
54349,CO-ADD:0319476,0.79,c1(C)c(cccc1c2ccccc2)CSCC(=O)Nc3ccccc3,0.0
54350,CO-ADD:0318866,0.79,C(=N\c(ccc(c1C(F)(F)F)Cl)c1)(/SC(C(=O)Nc(cc2)ccc2OCCC)CC3=O)\N3C,0.0
54351,CO-ADD:0326460,0.79,C1(NC(CCC1[N+](=O)[O-])=O)c2cc3c(cc2Cl)OCO3,0.0
54352,CO-ADD:0329969,0.79,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2CC#N,0.0
54353,CO-ADD:0327621,0.79,S(=O)(=O)(N1CCCCC1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(=O)NCc5ccccn5)=O)=N4)c2,0.0
54354,CO-ADD:0328844,0.79,c12c(ccc3c1cccn3)NC(CC2c4ccc(cc4)Br)=O,0.0
54355,CO-ADD:0258319,0.79,N(C(=O)c1cccc(c1)NC(Cc2ccccc2)=O)c3sccn3,0.0
54356,CO-ADD:0258511,0.79,c(Nc(cc1)ccc1C)(nc(Nc(cc2)ccc2C(C)=O)nc3Nc(cc4)ccc4C)n3.Cl,0.0
54357,CO-ADD:0258607,0.79,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(I)c3,0.0
54358,CO-ADD:0258330,0.79,c1(SCC(=O)Nc2ccccc2OC)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
54359,CO-ADD:0329888,0.79,c1(ccc(CCC(O)=O)[nH]1)c2cccs2,0.0
54360,CO-ADD:0278595,0.79,C(=S)(Nc1ccccc1)Nc(cc2)ccc2Nc3ccccc3,0.0
54361,CO-ADD:0328492,0.79,[N+](=O)([O-])c(cc(Oc1ccc(cc1Br)Br)c(c23)C=Cc(cccc4)c4O2)c3,0.0
54362,CO-ADD:0278316,0.79,c1(C(=O)OCc2ccc(cc2C)C)nonc1N,0.0
54363,CO-ADD:0329174,0.79,C(Cc(ccc(c1OCC)OCC)c1)(=O)Nc(cc2)ccc2CC#N,0.0
54364,CO-ADD:0278573,0.79,C(/C#N)(=C/c(cc1)ccc1C(C)C)\C(=O)Nc2cc(C)ccc2C,0.0
54365,CO-ADD:0258755,0.79,c(c(C)c(s1)C)(C2=O)c1NC(=S)N2c3ccccc3,0.0
54366,CO-ADD:0328960,0.79,c1(NC(C)=O)n(Cc2ccccc2)nnc1C(=O)Nc3ccccc3,0.0
54367,CO-ADD:0258700,0.79,C12(c3c(cccc3)C(=NN1c4ccccc4)c5cc(C)ccc5C)SC(=NN2c6ccccc6)C(OCC)=O,0.0
54368,CO-ADD:0277928,0.79,[n+](CC(OC)=O)(ccn(c12)c(cc1)C)c2C.[Br-],0.0
54369,CO-ADD:0328817,0.79,c1(scc(OCCO2)c12)C(=O)N(CC3)CCN3c4ccc(cc4)F,0.0
54370,CO-ADD:0260054,0.79,N1(c(cccc2C(F)(F)F)c2)C(=O)C(C3C1=O)C(C=C4)\C(\C34)=C(\c5ccccc5)/c6ccccc6,0.0
54371,CO-ADD:0331825,0.79,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)NC(C)(C)C)n2)Cc3cccc(Cl)c3,0.0
54372,CO-ADD:0331130,0.79,S(c1ccccc1)(=O)(=O)N(CC2)CCC2(C(N)=O)N3CCCCC3,0.0
54373,CO-ADD:0257552,0.79,n(c(cc(n1)OC)NC(CCC(OCC=C)=O)=O)c1OC,0.0
54374,CO-ADD:0257832,0.79,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3cccc(OC)c3OCC(O)=O,0.0
54375,CO-ADD:0328718,0.79,N1(c(cc2)ccc2[N+](=O)[O-])C(c3ccc(cc3)Cl)N4N(CCC4)C1=S,0.0
54376,CO-ADD:0283596,0.79,N(c1c(OC)ccc(C(C)=O)c1)(C(=O)C(C23)C(C=C4)OC24)C3=O,0.0
54377,CO-ADD:0283178,0.79,c12c(C(c(cccc3)c3C1=O)=O)n(c(OC)c2C4=CC(N(C)C4=O)=O)C,0.0
54378,CO-ADD:0329358,0.78,C1(=O)N(C)c(c2N1CC(NCCc(ccc(c3OCC)OCC)c3)=O)cccc2,0.0
54379,CO-ADD:0283026,0.78,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cc3)ccc3[N+](=O)[O-])c4sc(c5c4C(OC)=O)CCCC5,0.0
54380,CO-ADD:0329390,0.78,C1(=O)N(CCc2ccccc2)c3c(Oc(cc(cc4[N+](=O)[O-])Oc5ccccc5)c14)cccc3,0.0
54381,CO-ADD:0329319,0.78,[nH]1c(ccc(c2)OC)c2c(CCNC(C)C)c1.Cl,0.0
54382,CO-ADD:0277959,0.78,n1(\N=C/c(ccc(c2OC)OCc(cc3)ccc3C)c2)nnnc1N,0.0
54383,CO-ADD:0328908,0.78,COc(c(Cl)cc(OC)c1N(N=NN2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S)c1,0.0
54384,CO-ADD:0277568,0.78,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)c3cccs3)C2c4ccccc4C,0.0
54385,CO-ADD:0277553,0.78,C(=O)(Nc(cc1)ccc1C#N)C2CC=CCC2C(O)=O,0.0
54386,CO-ADD:0319386,0.78,S(=O)(=O)(c1ccc(cc1)NC(COc(ccc(c23)cccc2)c3)=O)N(C)C4CCCCC4,0.0
54387,CO-ADD:0320003,0.78,S(=O)(=O)(Nc1cccc(C)c1C)c2ccc(c3c2cccn3)OC,0.0
54388,CO-ADD:0319596,0.78,C12=C(CCCC1=O)Nc(c3C2c4cccc(Cl)c4Cl)ccc5c3cccn5,0.0
54389,CO-ADD:0319347,0.78,n(c(N)cc(n1)O)c1SCc(cc2)ccc2OC,0.0
54390,CO-ADD:0318903,0.78,C(C#N)(NC(C)=O)C(N)=O,0.0
54391,CO-ADD:0318664,0.78,c1(N)sc2c(ccc(c2)OC(Cl)(F)F)n1,0.0
54392,CO-ADD:0329257,0.78,C(/N1)(\c2c(CC1(C)C)cc(OCCO3)c3c2)=C/C(OCC)=O,0.0
54393,CO-ADD:0327798,0.78,c1(O)c(CN2CCCCCC2)c(Oc(c(CN3CCCCCC3)c(O)c(C\C=C(/C)\C)c4O)c4C5=O)c5c(C\C=C(/C)\C)c1OC,0.0
54394,CO-ADD:0327870,0.78,N1(Cc(cc(C(OC)=O)cc2[N+](=O)[O-])c2O)C(=O)c3c(cccc3)C1=O,0.0
54395,CO-ADD:0327654,0.78,c1(C#N)c(C)c(Cl)c(nc1SCC(=O)NCc2ccccc2)C,0.0
54396,CO-ADD:0259106,0.78,n1(nnc(C(=O)N\N=C(/C)\c2ccc(c3c2O)cccc3)c1c(cccc4[N+](=O)[O-])c4)c5nonc5N,0.0
54397,CO-ADD:0284519,0.78,C(=C(/c1c(cccc1)CC2(C)C)\N2)(/N=C(N34)c5c(CC3(C)C)cccc5)\C4=O,0.0
54398,CO-ADD:0329534,0.78,C12(OC(C(O)=C1C(=O)c3ccc(cc3)OC)=O)C(=O)NC(NC2=O)=O,0.0
54399,CO-ADD:0328015,0.78,c1(NC(=O)CCN(CC2)CCN2c3ccccc3C)cc(on1)C,0.0
54400,CO-ADD:0284176,0.78,N1(CC(C)OC(c2ccccc2)O1)C(c3ccccc3)=O,0.0
54401,CO-ADD:0328279,0.78,S(=O)(=O)(Nc(cc1)ccc1CC(O)=O)c2ccc(c(OC)c2)Cl,0.0
54402,CO-ADD:0278311,0.78,C1(=NC(=O)NC2=O)C2=Cc(cccc3)c3N1c4cccc(c4)C(OC)=O,0.0
54403,CO-ADD:0284931,0.78,c12c(nnc(SC(C)C)n1)c(c3n2C)cc(cc3)Br,0.0
54404,CO-ADD:0277906,0.78,c12c(nnc(SCC(=O)Nc3cc(C)ccn3)n1)c4c(cccc4)n2Cc5ccccc5,0.0
54405,CO-ADD:0277730,0.78,C(=N/c(ccc(c1F)F)c1)(/N2)\c3c(CC2(C)C)cc(OC)c(OC)c3,0.0
54406,CO-ADD:0329163,0.78,C(C(O)=O)(=CN1CC)C(=O)c(c12)cnc(N(CC3)CCN3C(=S)Nc4ccccc4Cl)n2,0.0
54407,CO-ADD:0277738,0.78,C1(C(OCCc2ccccc2)=O)=C(C)NC(NC1c3cccc(OC)c3OC)=O,0.0
54408,CO-ADD:0259776,0.78,N1(\C(=N\CCCOC)\c2ccco2)C(=S)N=C(N(CCCOC)C1=S)c3ccco3,0.0
54409,CO-ADD:0332335,0.78,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)OCC4CCCN5C4CCCC5)c1Cl,0.0
54410,CO-ADD:0331831,0.78,C(=CC(\C=C\c(ccc(c1OCC)OCc(cc2)ccc2F)c1)=NC3=O)(C(F)(F)F)N3,0.0
54411,CO-ADD:0283212,0.78,C1(=O)c2c(cccc2)OC(CC3)(CCC3C(C)(C)C)N1,0.0
54412,CO-ADD:0284500,0.77,c12c(nnc(SCC(=O)Nc3cc(C)ccn3)n1)c(c4n2C(C)C)cccc4,0.0
54413,CO-ADD:0329863,0.77,C(/c(cc(OCC)cc1)c12)(\C(=S)C(N2C(=O)c3cc(OC)cc(OC)c3)(C)C)=C(/S4)\SC(=C4C(OC)=O)C(OC)=O,0.0
54414,CO-ADD:0283284,0.77,n1c(c2ccc(c(OC)c2)OC)[nH]c(c3c(cccc3)c(cccc4)c45)c15,0.0
54415,CO-ADD:0283422,0.77,N1(CC(O)=O)C(=O)\C(\SC1=S)=C\c2cccc(c2)OCc(cc3)ccc3F,0.0
54416,CO-ADD:0329343,0.77,N(/C(=O)c1cccc(Cl)c1)=C(\NCc(cc2)ccc2Cl)/Nc3nc(C)cc(C)n3,0.0
54417,CO-ADD:0283502,0.77,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(c5c([nH]6)cccc5)c6)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
54418,CO-ADD:0278686,0.77,c12c(ncnc1Nc3cccc(OC)c3)[nH]cn2,0.0
54419,CO-ADD:0329351,0.77,N1(c2ccc(cc2)I)C(=O)c3c(cccn3)C1=O,0.0
54420,CO-ADD:0278663,0.77,C1(OC)(NS(=O)(=O)c2ccc(cc2)C)C(C)=C(Cl)C(C(Cl)=C1C)=O,0.0
54421,CO-ADD:0329703,0.77,C1(C(F)(F)F)(NC(=O)C(F)(F)F)c2c(N(C(C)C)C1=O)cccc2,0.0
54422,CO-ADD:0277594,0.77,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4OC)cc(c4OC)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
54423,CO-ADD:0278140,0.77,n12c(ccc(n1)n3c4c(nn3)cccc4)nnc2C(F)(F)F,0.0
54424,CO-ADD:0328909,0.77,c(cc1N(N=NN2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S)c(c5c1)OCO5,0.0
54425,CO-ADD:0259376,0.77,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c4cccc(OC)c4,0.0
54426,CO-ADD:0259392,0.77,c1(sc2c(ccc(OCC)c2)n1)NC(=O)C3CC=CCC3C(=O)OCC(F)(F)C(F)F,0.0
54427,CO-ADD:0328033,0.77,c1(SCC(=O)NCC(C2)(C3)CC(CC3C4)CC24)[nH]c(c5n1)ccc(OC)c5,0.0
54428,CO-ADD:0320027,0.77,C(OC)(F)(C(F)(F)F)C(=O)Nc1cc(Br)cc(cccn2)c12,0.0
54429,CO-ADD:0319110,0.77,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccc(cc2)OC)N(C)C3CCCCC3,0.0
54430,CO-ADD:0319371,0.77,[N+](=O)([O-])c(ccc(c1C(NCCOC(CC(CC2C3)CC34)(C4)C2)=O)Cl)c1,0.0
54431,CO-ADD:0319403,0.77,n1(c2ccccc2)c(SCc(cc3)ccc3C(O)=O)nnc1c4ccccc4,0.0
54432,CO-ADD:0321157,0.77,C1(SC(F)(F)C(F)(Cl)OC(F)(F)F)=C(C)NN(c2ccccc2)C1=O,0.0
54433,CO-ADD:0319011,0.77,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])C)c1)NC(C)c(cc2)ccc2c3ccccc3,0.0
54434,CO-ADD:0320442,0.77,n1(N)c(c2ccccn2)nnc1c3ccccn3,0.0
54435,CO-ADD:0329281,0.77,N1(c2ccccc2C)C(\C=C\c(ccc3[N+](=O)[O-])o3)=Nc(c4C1=O)ccc(I)c4,0.0
54436,CO-ADD:0329922,0.77,N(c1cc(C)ccc1C)(C(=O)C(C2C34[N+](=O)[O-])C(c(c35)cccc5)c(c46)cccc6)C2=O,0.0
54437,CO-ADD:0325978,0.77,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc4cccc(c4)NC(C)=O)[N+](=O)[O-])c13)cccc2,0.0
54438,CO-ADD:0327119,0.77,N1(CCN2CCCCC2)C(=O)CSC1c3ccc(c(OC)c3)OC,0.0
54439,CO-ADD:0328166,0.77,c12c(n(c(NCCc(ccc(c3OC)OC)c3)n1)CC)C(N(C)C(=O)N2C)=O,0.0
54440,CO-ADD:0328047,0.77,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2c(C)ccc(nsn3)c23,0.0
54441,CO-ADD:0284488,0.77,c12c(nnc(SCC(=O)N(c3c4cccc3)c5c(S4)cccc5)n1)c6c(cccc6)n2CCC,0.0
54442,CO-ADD:0327871,0.77,S(=O)(=O)(c1ccc(cc1)F)N(CC2)CCC2(c3ccccc3)C(O)=O,0.0
54443,CO-ADD:0284512,0.77,c1(c2c3c(cccc3)c(c(cccc4)c24)Cl)[nH]c(c(c5ccccc5)n1)c6ccc(cc6)F,0.0
54444,CO-ADD:0327607,0.77,N1(C(=O)CSc2nncn2C)c3c(cccc3)Sc(ccc(Cl)c4)c14,0.0
54445,CO-ADD:0283250,0.77,C12(C=Cc3c(ccc(cccc4)c34)O1)C(C)(C)c(c5N2CC(NCC=C)=O)cccc5,0.0
54446,CO-ADD:0329135,0.77,N#CCc(cc1)ccc1NC(COc2ccccc2C)=O,0.0
54447,CO-ADD:0329159,0.77,S(=O)(=O)(c1ccc(cc1)OC)Nc(cc2)ccc2Oc(cc3)ccc3Cl,0.0
54448,CO-ADD:0329642,0.77,S1(=O)(=O)c2c(c3N1Cc4ccccn4)c(ccc2)ccc3,0.0
54449,CO-ADD:0258918,0.76,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)Br)n(c3c1S(CCC)(=O)=O)cc(cc3C)C,0.0
54450,CO-ADD:0258750,0.76,c1(NC(=O)c2cccs2)sc(c3c1C(OC)=O)CCCC3,0.0
54451,CO-ADD:0258728,0.76,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c3ccc(c(Cl)c3)Cl)=O,0.0
54452,CO-ADD:0329882,0.76,c1(C(=O)N(c2ccc(c(Cl)c2)C)N=C3C(OCC)=O)c3csc1N,0.0
54453,CO-ADD:0326752,0.76,n1(ncn2)c2ncc(C#N)c1c3cccc(C)c3,0.0
54454,CO-ADD:0258744,0.76,c1(ccccc1NC(=O)c2ccco2)C(NCCO)=O,0.0
54455,CO-ADD:0289067,0.76,c1(C(=O)N2CCCCC2)nn(c(CCN3Cc(ccc4C(O)=O)cc4)c1C3)C,0.0
54456,CO-ADD:0291739,0.76,C12(SCC(=O)N1c3ccc(cc3C)C)c4c(NC2=O)cccc4,0.0
54457,CO-ADD:0291787,0.76,N1(c2ccc(cc2)F)C(=O)\C(=C\c(ccc3c(cccc4C(O)=O)c4)o3)\C(NC1=S)=O,0.0
54458,CO-ADD:0278200,0.76,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
54459,CO-ADD:0278274,0.76,c1(SCc2ccc(cc2C)C)sc3c(ccc(c3)\N=C\c(cc4)ccc4I)n1,0.0
54460,CO-ADD:0257511,0.76,N1(c2cccc(F)c2)C(=O)\C(\SC1=S)=C\C=C\c3ccccc3,0.0
54461,CO-ADD:0258975,0.76,n1(c2cc(C)ccc2C)c(c3ccc(cc3)Br)cc4c1CC(C)(C)CC4=O,0.0
54462,CO-ADD:0259916,0.76,c1(ccc(c2c1OC)cccc2)C(=O)Nc3sccn3,0.0
54463,CO-ADD:0259653,0.76,c1(N(CC2)CCO2)oc(nc1C#N)c3ccccc3,0.0
54464,CO-ADD:0259450,0.76,s1c(c2ccccc2)nnc1NC(CSc3nccn3C)=O,0.0
54465,CO-ADD:0278442,0.76,C(C#N)(C(c1cccs1)C2C(=O)Nc3ccccc3C)=C(SCC(N)=O)NC2(C)O,0.0
54466,CO-ADD:0278455,0.76,N1(CC)C(=O)\C(\SC1=S)=C/C=C(\Sc(c23)ccc(OC)c2)/N3C,0.0
54467,CO-ADD:0257315,0.76,C(=C\c(cc1OC)cc(c1O)OC)(/C(=O)NN2c3ccc(cc3)I)\C2=O,0.0
54468,CO-ADD:0258802,0.76,N1(c2c(C)ccc(c2)[N+](=O)[O-])C(=O)C3C(C1=O)C(C(=O)C34c5ccccc5)(c6ccccc6)C(=C4c7ccccc7)c8ccccc8,0.0
54469,CO-ADD:0331706,0.76,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2F)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
54470,CO-ADD:0331692,0.76,S1(CCC(C1)CC(=O)NC2=CC=CNC2=O)(=O)=O,0.0
54471,CO-ADD:0330756,0.76,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)NC(c3ccccc3Cl)CC(OCC)=O,0.0
54472,CO-ADD:0258442,0.76,N1(c(cc2)ccc2C(OC)=O)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
54473,CO-ADD:0283447,0.76,C12(C(C(C)=O)=C(C)OC(N)=C1C#N)C3=C(N(C)C2=O)CC=CC3,0.0
54474,CO-ADD:0258682,0.76,c1(Sc2ccc(\C=N\NC(=O)c3ccccc3[N+](=O)[O-])o2)sc4c(ccc(OCC)c4)n1,0.0
54475,CO-ADD:0288565,0.76,C1CN(CC1c2ncc(C)n2C(C)C)C(OC(C)(C)C)=O,0.0
54476,CO-ADD:0288789,0.76,c1cc(c2nnc(C)cn2)cnc1,0.0
54477,CO-ADD:0287163,0.76,C1(C2)(CC(CC(C(OC)=O)=C1)(CN2CC(O)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
54478,CO-ADD:0287717,0.76,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)NCc(cc3)ccc3Cl,0.0
54479,CO-ADD:0286226,0.76,c1(N(CC2)CCO2)nc(CCl)nc(N)n1,0.0
54480,CO-ADD:0285966,0.76,O=C(C1=CC=CC([N+]([O-])=O)=C1C(O)=O)NNC(C2=CC=NC=C2)=O,0.0
54481,CO-ADD:0286655,0.76,N1(c2cccc(C(C)=O)c2)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
54482,CO-ADD:0286671,0.76,c1(C(=O)Nc(cc2)ccc2OCC)c(C)c(sc1N)c3ccccc3,0.0
54483,CO-ADD:0289184,0.76,N(CC1CC(O)=O)(C1)C(=O)OC(C)(C)C,0.0
54484,CO-ADD:0288998,0.76,N12C(=NCC1)c(cccc3C)c3Oc(cc(cn4)C(F)(F)F)c24,0.0
54485,CO-ADD:0288727,0.76,c(c(Br)ccc1NC(=O)C(N\N=C\c2ccc([N+](=O)[O-])o2)=S)c1,0.0
54486,CO-ADD:0288791,0.76,c(c(Br)c1)cc(c2nnc(C)cn2)c1,0.0
54487,CO-ADD:0299835,0.76,N1(c2ccccc2)C(=O)NC(\C(=C/c(cc3OC)cc(c3O)OC)\C1=O)=O,0.0
54488,CO-ADD:0300019,0.76,c12c(n(c(SCc(cc3)ccc3F)n1)CCCCCCCC)C(N(C)C(=O)N2C)=O,0.0
54489,CO-ADD:0330796,0.76,n1(c(C)c(nn1)C(C)=O)c2nc(OC)nc(N(CCCC)CCCC)n2,0.0
54490,CO-ADD:0331508,0.76,C1(C(CCCCC(=O)C2C(=O)CC(CC2=O)(C)C)=O)C(=O)CC(CC1=O)(C)C,0.0
54491,CO-ADD:0331576,0.76,N1(CCNC1=O)C(=O)COc2ccccc2OC,0.0
54492,CO-ADD:0330928,0.76,c1(C#N)c(COC)cc(nc1SCC(=O)Nc2ccc(cc2Cl)Cl)C,0.0
54493,CO-ADD:0258738,0.76,N1(CC(=O)Nc2ccc(cc2C(O)=O)Br)C(=O)c(c3C1=O)cccc3,0.0
54494,CO-ADD:0257873,0.76,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c3ccccc3Sc(cc4)ccc4Cl)\N2,0.0
54495,CO-ADD:0257322,0.75,C(=C\c1cccc(OC)c1)(/C(=O)NN2c3ccc(c(Cl)c3)C)\C2=O,0.0
54496,CO-ADD:0289043,0.75,n1c(sc(C(=O)Nc(cc2F)ccc2)n1)CSCC(=O)O,0.0
54497,CO-ADD:0288668,0.75,C(=O)(OC(C)(C)C)N1CCCCC1c(n(C2CC2)c3C)nc3,0.0
54498,CO-ADD:0288676,0.75,C(=O)(OC(C)(C)C)N1CCCCC1c(n(CCOC)c2C)nc2,0.0
54499,CO-ADD:0299714,0.75,N1C(C)(C)CC(CC1(C)C)NC(=O)CCNC(CC2(C)C)CC(N2)(C)C,0.0
54500,CO-ADD:0299427,0.75,N1(c2cccc(c2)C(OC)=O)C(=O)c3c(cc(cc3)Oc(cc4)ccc4N)C1=O,0.0
54501,CO-ADD:0299820,0.75,C(=C/c(cc1OC)cc(c1OC)OC)(/C(=O)NC(N2C)=O)\C2=O,0.0
54502,CO-ADD:0299844,0.75,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c3cccs3)\C1=O)=O,0.0
54503,CO-ADD:0278585,0.75,S1(=O)(=O)c(cccc2)c2C(N(C)CCOC(=O)c(cc3)ccc3C(C)(C)C)=N1,0.0
54504,CO-ADD:0284337,0.75,S(=O)(=O)(N(CC=C)CC=C)c1[nH]ncn1,0.0
54505,CO-ADD:0284260,0.75,c1(nc(c2ccc(cc2)Br)cc3C(F)(F)F)n3ncc1C(=O)Nc(cc(Oc(ccc(c45)CCC4)c5)cc6[N+](=O)[O-])c6,0.0
54506,CO-ADD:0283688,0.75,n1(C(C)(C)C)nc(nn1)CCOCCc(nnn2C(C)(C)C)n2,0.0
54507,CO-ADD:0259987,0.75,C(=N\c1cc(C)ccc1C)(/SC(C2=O)CC(=O)Nc(cc3)ccc3C)\N2C,0.0
54508,CO-ADD:0257787,0.75,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(cc3)ccc3C(C)C)\N2,0.0
54509,CO-ADD:0278544,0.75,c(cc1)ccc1CN(C(c2ccc(cc2)Cl)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5)C3=S,0.0
54510,CO-ADD:0284631,0.75,c1(ccn(C(c2ccccc2)=O)n1)[N+](=O)[O-],0.0
54511,CO-ADD:0277375,0.75,C1(=S)NC(NN1c2ccc(cc2)C)(C)CCCCCC,0.0
54512,CO-ADD:0285049,0.75,c1(NNc2ccccc2)nncc(c3ccccc3)n1,0.0
54513,CO-ADD:0285418,0.75,c12c(ccc(c1)NC(CSC(N(CC)CC)=S)=O)c3c(cccc3)o2,0.0
54514,CO-ADD:0331165,0.75,n1(CC(C)C)c2c(nc1COc3ccccc3)cccc2,0.0
54515,CO-ADD:0331597,0.75,c1(C(=O)Nc(cc2)ccc2F)nnn(Cc(cc3)ccc3OC)c1N,0.0
54516,CO-ADD:0332386,0.75,C1(NC(CC)=O)(C(F)(F)F)C(=O)N(C2=N1)CCS2,0.0
54517,CO-ADD:0332027,0.75,C(C(O)=O)C(c1ccc(cc1)OC)NC(COc2ccccc2OC)=O,0.0
54518,CO-ADD:0332606,0.75,c1(N2CCCCC2)c(cc(c3n1)ccc(C)c3)\C=C(/C(C)=O)\C(C)=O,0.0
54519,CO-ADD:0332328,0.75,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)CC(O)=O)c5ccccc5,0.0
54520,CO-ADD:0257859,0.75,N1(NC(c2ccccc2)=O)C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
54521,CO-ADD:0257300,0.75,N1(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C(=C\c4cc(OC)ccc4OC)\C1=O,0.0
54522,CO-ADD:0291912,0.75,N1(C2c3ccc(cc3)C)C(S\C(=C/c(c4c([nH]5)cccc4)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
54523,CO-ADD:0289098,0.75,c(C(=O)Nc1ccccc1C)(nnc2C(OCC)=O)s2,0.0
54524,CO-ADD:0289044,0.75,N(CC1)(CCC1CC(=O)O)C(=O)c([nH]c(c2)C)c2C,0.0
54525,CO-ADD:0288653,0.75,C(OC(C)(C)C)(=O)N(C1)CCC(n2c(COC)ncc2C)C1,0.0
54526,CO-ADD:0286902,0.75,C12(c(cccc3)c3C(c4ccc(cc4)Br)(c5ccc(cc5)Br)S1)N(c6cccc(Cl)c6)N=C(C(C)=O)S2,0.0
54527,CO-ADD:0286111,0.75,s1c(c2ccc(cc2)OCC)nnc1NC(C3CCCCC3)=O,0.0
54528,CO-ADD:0259013,0.75,c(cc(cccc1)c1n2)(c23)\C(=N/c4ccccc4)\c(c35)cc(cc5)C,0.0
54529,CO-ADD:0278924,0.75,c12c(N=C(C)NC1=O)c3c(ccc(Cl)c3)o2,0.0
54530,CO-ADD:0277389,0.75,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(c3c([nH]4)cccc3)c4)\N2C5CCCCC5,0.0
54531,CO-ADD:0283690,0.75,S(O)(=O)(=O)c1c(ccc(c1)n2nc(cc2N)C)Oc3ccccc3,0.0
54532,CO-ADD:0257638,0.75,C(=O)(c1ccc(cc1)OC)Nc(cccc2C#C)c2,0.0
54533,CO-ADD:0257445,0.75,C(CN(CC1)CCN1C)#CC2(CCCCC2)O,0.0
54534,CO-ADD:0332627,0.75,C(C(OCCOC)=O)(C1c2ccc(cc2)F)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
54535,CO-ADD:0332399,0.75,C(Nc1ccc(cn1)C)(C(F)(F)F)(C(F)(F)F)NC(=O)c2ccccc2C,0.0
54536,CO-ADD:0331996,0.75,C(=O)(N(CC1)CCN1Cc2ccccc2)c3ccccc3NC(=O)c4ccc(cc4)F,0.0
54537,CO-ADD:0332063,0.75,C1(C(=O)NC(c(cccc2[N+](=O)[O-])c2)CC(OCC)=O)=Cc(cc(Cl)cc3Cl)c3OC1=O,0.0
54538,CO-ADD:0331565,0.75,c1(cc(C#N)c(cc1Oc(cc2)ccc2NC(C)=O)C#N)N3CCCCCC3,0.0
54539,CO-ADD:0330851,0.74,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C\c(cc(OCO3)c3c4)c4Br,0.0
54540,CO-ADD:0284489,0.74,c12c(nnc(SCC(=O)Nc(cc3)ccc3C(C)=O)n1)c4c(cccc4)n2CCC,0.0
54541,CO-ADD:0292001,0.74,C(/C#N)(=C/c(ccc1c(c(C)ccc2[N+](=O)[O-])c2)o1)\C(=O)N(CC3)CCO3,0.0
54542,CO-ADD:0291913,0.74,N1(C2c3ccc(cc3)C)C(S\C(=C/c(ccc4c5ccc(cc5[N+](=O)[O-])C)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
54543,CO-ADD:0290851,0.74,C1(NC(CSc(nnc(c23)c4c(cccc4)n2CCc5ccccc5)n3)=O)=C(C)N(N(c6ccccc6)C1=O)C,0.0
54544,CO-ADD:0299356,0.74,c1(nnc(CC)s1)N2C(=O)CSC2=N,0.0
54545,CO-ADD:0287020,0.74,S(=O)(=O)(NC(NCCCC)=O)c1c(C)cc(nc1Cl)C,0.0
54546,CO-ADD:0299916,0.74,c1(ccc2c(c(ccc3)CC2)c13)NC(CSCC(=O)N(CC4)CCO4)=O,0.0
54547,CO-ADD:0299956,0.74,C(=C(\C)/O)(/C(OCC)=O)\C1(CCCCC1)C(C#N)C(N)=O,0.0
54548,CO-ADD:0278733,0.74,c1(nonc1N)\C(\N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])Cl)=N\OC(C)=O,0.0
54549,CO-ADD:0257655,0.74,c(c(C)cc(c1NC(=O)c2ccc(cc2)F)C)(NC(=O)c3ccc(cc3)F)c1C,0.0
54550,CO-ADD:0332004,0.74,[nH]1c(SCCOc2ccc(cc2C(C)C)C)nc3c1ncnc3N,0.0
54551,CO-ADD:0332525,0.74,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4ccccc4C,0.0
54552,CO-ADD:0331901,0.74,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2c3cccc(C)c3C,0.0
54553,CO-ADD:0332464,0.74,C(C(=O)c1ccc(cc1)Br)(C2c3ccc(cc3)Br)=C(Nc4ccccc4)C(N2CCCCCC(O)=O)=O,0.0
54554,CO-ADD:0331984,0.74,N(CC1C)(CC(O1)C)C(=O)c2ccccc2NC(=O)c3ccc(cc3)Br,0.0
54555,CO-ADD:0332352,0.74,c1(c2ccc(cc2)C)ccc(\C=N/NC(c(cc3)ccn3)=O)o1,0.0
54556,CO-ADD:0331709,0.74,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2F)NC3=C1C(=O)NC(N3c4ccc(cc4)OC)=O,0.0
54557,CO-ADD:0331126,0.74,n1(c2ccccc2OC)c(CCC(O)=O)ccc1c3ccc(cc3)OC,0.0
54558,CO-ADD:0331177,0.74,n1(CC(C)C)c2c(nc1COc3cc(C)ccc3C(C)C)cccc2,0.0
54559,CO-ADD:0331601,0.74,C(C(OC)=O)(=CN(CC(C1)(CC(CC12)CC3C2)C3)C=C4C(OC)=O)C4c5ccccc5Cl,0.0
54560,CO-ADD:0331458,0.74,n1(n2)c(nc(cc1C(F)(F)F)c3ccco3)cc2C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
54561,CO-ADD:0332070,0.74,C1(=Cc2c(OC1=O)cccc2)C(=O)NC(c3ccc(cc3)OC)CC(OCC)=O,0.0
54562,CO-ADD:0258601,0.74,n1(nnc(C(=O)N\N=C(/C)\C=C\C2=C(C)CCCC2(C)C)c1CN3CCCCC3)c4nonc4N,0.0
54563,CO-ADD:0292025,0.74,c1(nnc(CCCCCCCC)s1)NC(c2ccccc2)=O,0.0
54564,CO-ADD:0291058,0.74,n1(c2c(nn1)cccc2)S(=O)(=O)c3ccccc3[N+](=O)[O-],0.0
54565,CO-ADD:0290325,0.74,c1(c(ccc2[N+](=O)[O-])o2)sc3c(c(COC)cc(C)n3)c1NC(c4ccccc4)=O,0.0
54566,CO-ADD:0290342,0.74,C1=C(NCC2CCCO2)C3(OC1=O)CCCCC3,0.0
54567,CO-ADD:0300101,0.74,C(=O)(Nc1cccc(C)c1)C(N(CC2)CCO2)c3ccccc3Cl,0.0
54568,CO-ADD:0291667,0.74,c1(NC(N)=O)sc(c2c1C(OCC)=O)CCCCC2,0.0
54569,CO-ADD:0288923,0.74,n12c(ccn1)c3c(Oc(cc(C(OC)=O)cn4)c24)cccc3,0.0
54570,CO-ADD:0287031,0.74,C(=CC(C)=NC1=O)(\C(=C/c(ccc(c23)OCO2)c3)\OC4=O)C14,0.0
54571,CO-ADD:0286527,0.74,N1(c2ccccc2)C(=O)C(CC1=O)S\C(\NCc3ccccc3)=N/c(cc4)ccc4F,0.0
54572,CO-ADD:0285384,0.74,c1(N(CC2)CCN2C(=O)c3ccccc3Cl)sc(c4n1)cccc4,0.0
54573,CO-ADD:0258926,0.74,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4\C(=N\c(ccc(c5C)Br)c5)\C1=O,0.0
54574,CO-ADD:0259159,0.73,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)Oc(ccc(c2C)C)c2)Cl)c1,0.0
54575,CO-ADD:0283945,0.73,c1(SCC(=O)NCc2ccco2)sc3c(ccc(c3)NC(CC)=O)n1,0.0
54576,CO-ADD:0332397,0.73,C(C(F)(F)F)(C(F)(F)F)(Nc(c(Cl)c1)ncc1C(F)(F)F)NC(=O)c2cccc(F)c2,0.0
54577,CO-ADD:0332310,0.73,C(Nc1c(C)ccc(Cl)c1)(OC(C)=CC2=O)=C2C(C)=O,0.0
54578,CO-ADD:0332231,0.73,C1(C(OCCCC)=O)=C(C)NC(NC1c2cc(Br)ccc2OC)=O,0.0
54579,CO-ADD:0330746,0.73,C(O)(C(OC)=O)(C(F)(F)F)c1c(C)cc(c(C)c1)O,0.0
54580,CO-ADD:0331030,0.73,c(C(OC)=O)(sc(c1C(F)(F)F)SCC(OC)=O)c1O,0.0
54581,CO-ADD:0331062,0.73,Cc(ccc1C(C)(C)C)c(c1)S[C@H]2CC(=O)[C@H]3O[C@@H]2CO3,0.0
54582,CO-ADD:0330734,0.73,c1(nc(c2ccccc2)cc3C(F)F)n3ncc1C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
54583,CO-ADD:0330758,0.73,c1(C2C(C)C)c(CC(C(OC)=O)N2)c3c(cccc3)[nH]1,0.0
54584,CO-ADD:0332524,0.73,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)c4ccccc4C,0.0
54585,CO-ADD:0331908,0.73,S(=O)(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)Cl)c3cc(C)ccc3OC,0.0
54586,CO-ADD:0332013,0.73,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2c3ccc(c(Cl)c3)Cl,0.0
54587,CO-ADD:0331088,0.73,n1(Cc(cc2)ccc2C)c3c(nc1c4cccs4)cccc3,0.0
54588,CO-ADD:0331442,0.73,c12c(CC(C)(C)CC1=O)[nH]nc2Cc3ccccc3,0.0
54589,CO-ADD:0330760,0.73,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)N(C(=O)N1)CCc3ccccc3,0.0
54590,CO-ADD:0277595,0.73,C(CC(c1ccccc1)CC2=O)(Nc(cc3)ccc3Cl)=C2,0.0
54591,CO-ADD:0257713,0.73,C(=S)(N(CC1)CCO1)c2ccccc2OC(=O)c(cc3OC)cc(c3OC)OC,0.0
54592,CO-ADD:0257706,0.73,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cccn3)c3)c4sc(c5c4C(OCC)=O)CCCC5,0.0
54593,CO-ADD:0258055,0.73,C12(C#N)C(C1(C)C)(C#N)C(=NC23OCCO3)N,0.0
54594,CO-ADD:0277477,0.73,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(Nc(cc4)ccc4C)C(N2c5ccccn5)=O,0.0
54595,CO-ADD:0258412,0.73,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(cc4)ccc4Br)\C1=O,0.0
54596,CO-ADD:0288687,0.73,C(=O)(OC(C)(C)C)N1CCCCC1c(n(C2CCOCC2)c(c3)C)n3,0.0
54597,CO-ADD:0288464,0.73,c1(C(CCCN2)C2)n(CCCOC)c(cn1)C.Cl.Cl,0.0
54598,CO-ADD:0290847,0.73,C1(CC(C)CCC1C(C)C)OC(COC(CSC(c2ccccc2)=O)=O)=O,0.0
54599,CO-ADD:0292051,0.73,N1(c2ccc(cc2)Sc(cc3)ccc3[N+](=O)[O-])C(=O)c4c(N=C1c5ccccc5)cccc4,0.0
54600,CO-ADD:0289380,0.73,n1c(COc2ccccc2)onc1C(CCCN3)C3.Cl,0.0
54601,CO-ADD:0288448,0.73,c1(c(ccn2)cc2)n(CCN)c(cn1)C.Cl.Cl.Cl,0.0
54602,CO-ADD:0288820,0.73,c(c1Cl)(C(=O)NCC#C)ccc([N+](=O)[O-])c1,0.0
54603,CO-ADD:0257798,0.73,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4ccccc4)\N2,0.0
54604,CO-ADD:0259959,0.73,N1(c(ccc(c2s3)nc3SCC(=O)Nc4ccccc4F)c2)C(=O)c5c(cccc5)C1=O,0.0
54605,CO-ADD:0257384,0.73,c1(c2ccccc2Cl)nnn(CC(=O)N([H])\N=C\c(cc(OCO3)c3c4)c4Br)n1,0.0
54606,CO-ADD:0284885,0.73,N1(c2ccccc2F)C(=O)C(CC1=O)S\C(\NCC)=N\CCc(ccc(c3OC)OC)c3,0.0
54607,CO-ADD:0331754,0.73,C(C(OCC)=O)(C(c(cc1)ccc1[N+](=O)[O-])N2)=C(CCC)N(C2=O)C,0.0
54608,CO-ADD:0331067,0.73,C1(NC(C)=O)=C(NCCc(ccc(c2OCC)OCC)c2)C(c(cccc3)c3C1=O)=O,0.0
54609,CO-ADD:0330790,0.73,c1(N(c2ccccc2)c3ccccc3)nc(C#N)nc(N4CCCCC4)n1,0.0
54610,CO-ADD:0331758,0.73,C(C(=O)OCC1CCCO1)(C2c3ccc(cc3)F)=C(C)NC(CC(c4cccs4)CC5=O)=C25,0.0
54611,CO-ADD:0331558,0.73,C1(C(NCCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)=O)=Cc(c4)c(OC1=O)ccc4[N+](=O)[O-],0.0
54612,CO-ADD:0331420,0.73,c(cc1OC)ccc1N2N=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
54613,CO-ADD:0332363,0.73,N(C(=O)\C(\S1)=C/c2ccccc2OCc3ccccc3)=C1N(CC4)CCN4c5ccccc5,0.0
54614,CO-ADD:0258079,0.73,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c3cc(Br)ccc3OC(C)C,0.0
54615,CO-ADD:0257296,0.73,c1(O)c(I)cc(cc1I)\C=N\NC(=O)c2ccc(cc2)Oc(cc3)ccc3O,0.0
54616,CO-ADD:0259865,0.73,N1C(=O)\C(\SC1=N)=C\c2cccc(OC)c2OCc3ccccc3,0.0
54617,CO-ADD:0259873,0.73,C(C(C)=O)(C1c2ccccc2F)=C(O)C(N1Cc3ccccc3)=O,0.0
54618,CO-ADD:0258444,0.73,C1(OCCN1)(CC(=O)c2cccs2)C(F)(F)F,0.0
54619,CO-ADD:0288656,0.73,C(=O)(N(CC1n(c2C)c(COC)nc2)CC1)OC(C)(C)C,0.0
54620,CO-ADD:0285703,0.73,S(=O)(=O)(N(CC)CC)c(cc1)ccc1C2=CS\C(=N/c3cccc(cccc4)c34)\N2C.Br,0.0
54621,CO-ADD:0289280,0.73,C(=O)(OC(C)(C)C)N(C)CC(NN)=O,0.0
54622,CO-ADD:0288893,0.72,c(n1CCC)(nc([N+](=O)[O-])c1C)C2CCN(S(c3ccc(C)cc3)(=O)=O)CC2,0.0
54623,CO-ADD:0289364,0.72,n1c(CCN)[nH]nc1c2ccc(OC)c(F)c2.Cl.Cl,0.0
54624,CO-ADD:0288898,0.72,c(C)(n(c(c1[N+](=O)[O-])C)CC2CCNCC2)n1.Cl.Cl,0.0
54625,CO-ADD:0288843,0.72,C(N(C(=O)OC(C)(C)C)CC1)C(C1)CC(=O)NCC#C,0.0
54626,CO-ADD:0289351,0.72,c1(C(=O)Nc2cccc(Cl)c2)nnc(C(CCN3)CC3)s1,0.0
54627,CO-ADD:0283605,0.72,C1(NC(OCc2ccccc2)=O)c3c(cccc3)Oc(cccc4)c14,0.0
54628,CO-ADD:0278541,0.72,c(cc1)ccc1C(N2C)=NN([C@H]3CC(=O)[C@H](O4)OC3C4)C2=S,0.0
54629,CO-ADD:0278667,0.72,S(c1ccccc1)(=O)(=O)c2c(O)cc(c(c2C)NS(c3ccccc3)(=O)=O)C,0.0
54630,CO-ADD:0257868,0.72,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c3ccccc3)\N2c4ccccc4,0.0
54631,CO-ADD:0259032,0.72,[n+]1(cccc(C)c1)\C=C\C(OCC)=O.[Br-],0.0
54632,CO-ADD:0258962,0.72,C(=C\c1cccc(Cl)c1Cl)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
54633,CO-ADD:0258991,0.72,c1(N\N=C\c2ccccc2C(F)(F)F)nncn1N.Cl.Cl,0.0
54634,CO-ADD:0331221,0.72,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2C(=O)OC(C)C)nnc1c3ccco3,0.0
54635,CO-ADD:0331229,0.72,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)Nc2cccc(Cl)c2)Cl)c1,0.0
54636,CO-ADD:0331110,0.72,S(=O)(=O)(c1ccc(cc1)Cl)N(Cc2ccccc2F)CC(NCCCO)=O,0.0
54637,CO-ADD:0331354,0.72,N12c(c3C(C)(c4ccccc4)CC1(C)C)c(C(=O)C2=O)c(cc3)C,0.0
54638,CO-ADD:0332413,0.72,C(C(OC)=O)(Nc1cccc(C)n1)(C(F)(F)F)NC(=O)c2cccc(F)c2,0.0
54639,CO-ADD:0332339,0.72,n12c(nc(cc1C(F)(F)F)c(ccc(c34)OCO3)c4)cc(C(=O)NCC(C5)(C6)CC(CC6CC57)C7)n2,0.0
54640,CO-ADD:0259650,0.72,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C/c(ccc(c3OC)OCc(cc4)ccc4F)c3,0.0
54641,CO-ADD:0258453,0.72,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cc3OC)cc(c3OC)OC)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
54642,CO-ADD:0258762,0.72,C1(C(=O)OCC(C)C)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
54643,CO-ADD:0290807,0.72,C(O1)(=NOC(c2nonc2N)=N1)c3nonc3N,0.0
54644,CO-ADD:0286829,0.72,C(C#N)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(Cl)c4,0.0
54645,CO-ADD:0286637,0.72,n12c(S\C(=C/c(cccc3[N+](=O)[O-])c3)\C1=O)nnc2c4ccccc4Cl,0.0
54646,CO-ADD:0290360,0.72,C(/C#N)(\C(=O)Nc(cc1)ccc1OC)=C/c2c(cccc2F)Cl,0.0
54647,CO-ADD:0288721,0.72,c(cccc1NC(=O)C(=S)N\N=C\c2ccc([N+](=O)[O-])o2)c1,0.0
54648,CO-ADD:0288537,0.72,n1(CC(CCN2)C2)c(C)cnc1C(C3)CC3.Cl.Cl,0.0
54649,CO-ADD:0299631,0.72,N1(c(cc(cc2C(OC)=O)C(OC)=O)c2)C(=O)c3c(cc(cc3)Oc4cccc(N)c4)C1=O,0.0
54650,CO-ADD:0290620,0.72,c1(N(CC2)CCO2)nc(NCCO)nc(NC(C)C)n1,0.0
54651,CO-ADD:0290590,0.72,C(Cl)(Cl)(Cl)\C(\N)=C\C(=O)\C=C\c1cccs1,0.0
54652,CO-ADD:0288696,0.72,n1(c(ncc1C)CCNC(=O)OC(C)(C)C)Cc2ccc(F)cc2,0.0
54653,CO-ADD:0290628,0.72,c12c(c(n[nH]1)c3ccccc3)C(N(c4ccccc4)C2=O)c5ccc(cc5)OC,0.0
54654,CO-ADD:0285433,0.72,c1(NC(=O)c2cccc(C)c2)n(c3ccccc3)ncc1C(=O)N(CC4)CCN4C,0.0
54655,CO-ADD:0284349,0.72,c1(C(OCC)=O)c(cc(O)cc2)c2n(c3ccccc3)c1CN4CCCC4,0.0
54656,CO-ADD:0278531,0.72,[nH]1c(C=O)cc(C)c1C,0.0
54657,CO-ADD:0283132,0.72,C(/c(cccc1)c1CC23CCCCC2)(=N\c(ccc(c4F)F)c4)\N3,0.0
54658,CO-ADD:0259867,0.71,C1(=NC2(Cc(cccc3)c13)CCCCC2)\C(=N/O)\C(N)=O,0.0
54659,CO-ADD:0331206,0.71,c12c(C(N(C)C(=O)N1C)=O)n(c(SCc3ccccc3F)n2)Cc(ccc(c4OCC)OCC)c4,0.0
54660,CO-ADD:0331246,0.71,c12c(c3c(cccc3)C1=O)nc4n(ncn4)c2c(cc5)ccc5C(C)C,0.0
54661,CO-ADD:0331450,0.71,c1(C(O)CC(O)=O)[nH]c(c2n1)cccc2,0.0
54662,CO-ADD:0257578,0.71,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(NCCOc2ccccc2Cl)=O,0.0
54664,CO-ADD:0257695,0.71,C(C)(CC(C)(C)NC1=S)(c2ccc(cc2OC(C)=O)OC(C)=O)N1C,0.0
54665,CO-ADD:0257909,0.71,c1(NC(CCC)=O)[nH]nc(C)c1c2ccc(c(OC)c2)OC,0.0
54666,CO-ADD:0288576,0.71,C(CC(CCC1)N1C(OC(C)(C)C)=O)c2n(c(cn2)C)C(C)C,0.0
54667,CO-ADD:0288984,0.71,S(=O)(=O)(c1c(ccc(Cl)c1)OC2=C3C=NN(C2=O)C)N3C(C)C,0.0
54668,CO-ADD:0291104,0.71,C(/Sc(cccc1)c1C2=O)(=N\c3nc(C)cc(C)n3)\N2,0.0
54669,CO-ADD:0285979,0.71,O[C@@H](COC1=CC=CC=C1)/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=N/NC(C3=CC=NC=C3)=O,0.0
54670,CO-ADD:0299232,0.71,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(CC1=O)SCC(=O)Nc(ccc(c34)cccc3)c4,0.0
54671,CO-ADD:0290645,0.71,N(CC1CO1)(C2=O)C(C3N2CC)N(C)C(N3C)=O,0.0
54672,CO-ADD:0286651,0.71,n1(Cc2ccccc2F)c3c(nc1SCC)cccc3,0.0
54673,CO-ADD:0286275,0.71,C(=C(/CC)\O)/C(=O)c1ccc(cc1)Br,0.0
54674,CO-ADD:0278997,0.71,C1(Cl)(Cl)C(C1CC2)CCC3C2C3C(=O)Nc4ccccc4OCC,0.0
54675,CO-ADD:0259053,0.71,C(C(OCC)=O)(C1c2ccc(cc2)OC)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
54676,CO-ADD:0258024,0.71,C12(C(OC(C)=O)OC(C)=O)OC(C(C(N3c4ccc(cc4)OC)=O)C1C3=O)C=C2,0.0
54677,CO-ADD:0260010,0.71,N1(c2cc(C)ccc2C)C(=O)c(c3C1=O)ccc(c3)C(=O)OC4CC(C)CCC4C(C)C,0.0
54678,CO-ADD:0257865,0.71,n12c(S\C(=C\c(ccc(c3OCC)OCc4ccc(cc4Cl)Cl)c3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
54679,CO-ADD:0259144,0.71,c1(sc(cc1C(OCC)=O)CC)NC(=O)c2cc(Br)ccc2NS(=O)(=O)c3ccc(cc3)Cl,0.0
54680,CO-ADD:0331491,0.71,C1(C(F)(F)F)(NC(C2CCCCC2)=O)C(=O)N(C(=O)N1)CCc3ccccc3,0.0
54681,CO-ADD:0331525,0.71,c12c(C(=CC(=O)N1)C)c(nn2C3CCOC(C)(C)C3)O,0.0
54682,CO-ADD:0331557,0.71,C(c1ccccc1Cl)(CC(OCC)=O)NC(=O)c2ccc(cc2)C,0.0
54683,CO-ADD:0278851,0.71,C1(C(c2ccccc2)Oc(c3N1)ccc(Br)c3)(C=C4C(C)(C)C)C=C(C4=O)C(C)(C)C,0.0
54684,CO-ADD:0278403,0.71,c(nc(c1ccco1)cc2C(F)(F)F)(c3Br)n2nc3C(=O)N4CCCc(cccc5)c45,0.0
54685,CO-ADD:0288601,0.71,C(OC(C)(C)C)(NCCn1c(C)cnc1c2ccccc2)=O,0.0
54686,CO-ADD:0286990,0.71,C1(=O)N(c2ccc(cc2)F)C(C)=CC(C)=C1C(N)=O,0.0
54687,CO-ADD:0287014,0.71,c1(C(OCC)=O)c(C)c(N)c(nc1Cl)Cl,0.0
54688,CO-ADD:0299958,0.71,c1(C#N)c(SC)nc(cc1c2ccco2)C3CC3,0.0
54689,CO-ADD:0288518,0.71,n1(CC(C2)CN2)c(C)cnc1c3ccccc3.Cl.Cl,0.0
54690,CO-ADD:0289234,0.71,C(CCCN1C)(C1)C(N)=N.Cl.Cl,0.0
54691,CO-ADD:0289243,0.71,c1(C(OCC)=O)nn(c(CCOC2)c12)C,0.0
54692,CO-ADD:0278571,0.71,c1(\N=C\c(c(O)ccc2[N+](=O)[O-])c2)sc(c(C)c1C(OCC)=O)C,0.0
54693,CO-ADD:0278820,0.71,c1(C2c(cc3)ccc3[N+](=O)[O-])c(CCN2C(=O)c4cc5c(ccc(Br)c5)o4)c6c(cccc6)[nH]1,0.0
54694,CO-ADD:0257794,0.71,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c3cccc(cccc4)c34)\N2,0.0
54695,CO-ADD:0258450,0.71,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)SC)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
54696,CO-ADD:0257931,0.71,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)Nc3cc(C)ccc3F,0.0
54697,CO-ADD:0331123,0.7,n1(c(CCC(O)=O)ccc1c2ccc(cc2)OC)c3c(Cl)ccc(Cl)c3,0.0
54698,CO-ADD:0331155,0.7,n1c2c([nH]c1COc3ccccc3)cccc2,0.0
54699,CO-ADD:0331539,0.7,C(O)(C(C\C=C\CC(N)C(O)=O)N)=O,0.0
54700,CO-ADD:0331959,0.7,C1(C(=O)NC(c2ccc(cc2)OC)CC(OCC)=O)=Cc(cc(Br)cc3OC)c3OC1=O,0.0
54701,CO-ADD:0330827,0.7,c1(c(C)c(Cl)c(nc1Oc(cc2)ccc2F)C)C(=O)N(CC3)CCO3,0.0
54702,CO-ADD:0330852,0.7,c1(c(O)ccc(C(C)(C)c2ccccc2)c1)C(O)=O,0.0
54703,CO-ADD:0330860,0.7,c(C(=O)Nc(cccc1C(F)(F)F)c1)(sc(c23)nc(c(CCCC4)c24)C)c3N.c(C(=O)Nc(cccc5C(F)(F)F)c5)(sc(c67)nc(c8c6C)CCCC8)c7N,0.0
54704,CO-ADD:0259728,0.7,c1(cc(ccc1Oc2ccc(cc2OC)\C=N\n(c3)cnn3)C(F)(F)F)[N+](=O)[O-],0.0
54705,CO-ADD:0258972,0.7,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(I)cc(I)c5OC,0.0
54706,CO-ADD:0257302,0.7,s1c(C)ccc1\C=N\c(cc2)ccc2C(OCC)=O,0.0
54707,CO-ADD:0257326,0.7,C(=C\c(ccc1c(ccc(c2C(O)=O)Cl)c2)o1)(/C(=O)NN3c4ccc(cc4)I)\C3=O,0.0
54708,CO-ADD:0278679,0.7,n1c(SC)[nH]nc1c2ccc(c(OC)c2)OC,0.0
54709,CO-ADD:0288993,0.7,N1(O)c2c(cc(cc2)C#N)Oc(cccc3)c3C1=O,0.0
54710,CO-ADD:0286807,0.7,C(=O)(c1ccc(cc1)Br)Nc2ccc(c(C)c2C)O,0.0
54711,CO-ADD:0287779,0.7,C(CN1CN2CC3(C1)[N+](=O)[O-])(C2)(C3)[N+](=O)[O-],0.0
54712,CO-ADD:0299865,0.7,C(/C#N)(\C(N)=O)=C/c(ccc1c(ccc(c2C(OC)=O)Cl)c2)o1,0.0
54713,CO-ADD:0300089,0.7,c1(SCCC(O)=O)n(CC)c2c(cccc2)n1,0.0
54714,CO-ADD:0285995,0.7,ClC1=CC(OC/C=N/NC(C2=CC=NC=C2)=O)=CC=C1,0.0
54715,CO-ADD:0287579,0.7,C1(=O)Oc(c(cc(c2OC(=O)Nc3ccccc3)Cl)S1)c2,0.0
54716,CO-ADD:0287500,0.7,N1(N(C)C)\C(=N\c2ccccc2)\S\C(=C\c3cc(OC)c(cc3[N+](=O)[O-])OC)\C1=O,0.0
54717,CO-ADD:0290654,0.7,c1(cc(F)c(cc1N(CC2)CCO2)N3CCCC3)[N+](=O)[O-],0.0
54718,CO-ADD:0278829,0.7,c1(NC(=O)c2ccc(cc2)C)n(c3ccccc3)ncc1C(=O)Nc(cc4)ccc4Cl,0.0
54719,CO-ADD:0284266,0.7,C(SC(S1)=O)(SC(S2)=S)=C12,0.0
54720,CO-ADD:0279021,0.7,N1C(=O)\C(\SC1=N)=C/c(ccc(c2OCC)OCc(cc3)ccc3F)c2,0.0
54721,CO-ADD:0332631,0.7,c12c(cc(C)c(C)c1)NC(=O)CC2c(cc3OCC)cc(c3O)Br,0.0
54722,CO-ADD:0331606,0.7,c12c(C(N(C)C(=O)N1C)=O)n(c(N3CCCCC3)n2)CC(C)=O,0.0
54723,CO-ADD:0331641,0.7,S(NCCOC(C1)(C2)CC(CC2CC13)C3)(=O)(=O)c4ccc(c(C)c4)OC,0.0
54724,CO-ADD:0332140,0.7,C(C(OC)=O)(=CN(CC(C1)(CC(CC12)CC3C2)C3)C=C4C(OC)=O)C4c5ccc(cc5)OCC,0.0
54725,CO-ADD:0258140,0.7,c1(C(=O)OCC(=O)N2CCCCC2)nonc1N,0.0
54726,CO-ADD:0283393,0.7,N12C(S\C(=C\c(cc(n3c4ccc(cc4)Cl)C)c3C)\C1=O)=NC(C)=C(C(C)=O)C2c5ccc(cc5OC)OC,0.0
54727,CO-ADD:0285402,0.7,N1(c2ccc(cc2[N+](=O)[O-])Cl)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
54728,CO-ADD:0291991,0.7,N(CC1)(CCO1)CCCNC(COc(cc2)ccc2C)=O,0.0
54729,CO-ADD:0292192,0.7,c12c(non1)nc(Nc3cccc(Cl)c3)c(Nc4c(OC)ccc(OC)c4)n2,0.0
54730,CO-ADD:0285708,0.7,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3Cl)\N2Cc(cc4)ccc4OC)N(CC5)CCO5.Br,0.0
54731,CO-ADD:0291113,0.7,C(c1c(cccc1)NC2(C)C)(\C(=N\c(cc3)ccc3S(=O)(=O)Nc4sccn4)\SS5)=C25,0.0
54732,CO-ADD:0286211,0.7,c1(C2=O)c(c(n[nH]1)c3ccccc3)C(N2c(cccc4C(F)(F)F)c4)c5ccc(cc5)Cl,0.0
54733,CO-ADD:0286180,0.7,c12c(n(c(SCC(=O)Nc3ccccc3C(OC)=O)n1)C)C(N(C)C(=O)N2C)=O,0.0
54734,CO-ADD:0291111,0.7,C(c1c2cc(C)cc1)(\C(=N\c3ccc(cc3OC)OC)\SS4)=C4C(N2)(C)C,0.0
54735,CO-ADD:0288080,0.7,c1(NC(CSc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C,0.0
54736,CO-ADD:0288646,0.7,C(OC(C)(C)C)(=O)N(CCC(C1)Cn2c(C3CCC3)ncc2C)C1,0.0
54737,CO-ADD:0285317,0.7,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2c(cccn4)c4)=O,0.0
54738,CO-ADD:0288666,0.7,C(=O)(OC(C)(C)C)N(CCCC1c(n(C2CCC2)c3C)nc3)C1,0.0
54739,CO-ADD:0257818,0.7,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(c2c([nH]3)cccc2)c3,0.0
54740,CO-ADD:0258647,0.7,c1(C(OCC)=O)c2c(oc1CSc3nc(C)c(c(C)c3C#N)C)ccc(OC(C)=O)c2,0.0
54741,CO-ADD:0284116,0.7,C(/CSCC(OCC)=O)(\c1cccs1)=N\Nc2ccccc2,0.0
54742,CO-ADD:0258552,0.69,C(=N\c1nnc(CC)s1)(/N(c2ccccc2)\C(\C3=O)=C/c(cc4)ccc4OC)\S3,0.0
54743,CO-ADD:0257629,0.69,C(=O)(C(C)Oc1ccccc1)Nc(cc2)ccc2C(OC)=O,0.0
54744,CO-ADD:0331960,0.69,C1(C(=O)NC(c2ccc(cc2)OC)CC(OCC)=O)=Cc(c3)c(OC1=O)c(cc3[N+](=O)[O-])OC,0.0
54745,CO-ADD:0331993,0.69,C(=O)(N1CCCC1)c2ccccc2NC(=O)c3ccc(cc3)F,0.0
54746,CO-ADD:0331905,0.69,S(=O)(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)Cl)c3ccc(c(cccc4)c34)OC,0.0
54747,CO-ADD:0331749,0.69,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(F)c4,0.0
54748,CO-ADD:0331437,0.69,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)C)=O,0.0
54749,CO-ADD:0330909,0.69,C1(O)(C(F)(F)F)C(=O)Oc(cc2c3c4c(o2)cccc4)c1c3,0.0
54750,CO-ADD:0330973,0.69,S(c1ccccc1)(=O)(=O)N2CCCC2C(NCCc(c3c([nH]4)cccc3)c4C)=O,0.0
54751,CO-ADD:0330989,0.69,N1(c2ccccc2OC)C(c3ccc(c4c3)cccn4)Nc(c5C1=O)cccc5,0.0
54752,CO-ADD:0278961,0.69,[N+](=O)([O-])\C(\C)=C/c(ccc(c1OC)OCCCCCCC)c1,0.0
54753,CO-ADD:0285060,0.69,N1(c2ccc(cc2)OCCCCCC)C(=O)C(CC1=O)S\C(\NCCc3ccccc3)=N/c(cccc4C(F)(F)F)c4,0.0
54754,CO-ADD:0285092,0.69,C1(c2cccc(OC)c2)(c3cccc(OC)c3)CC1C(=O)Nc4cccc(Br)c4,0.0
54755,CO-ADD:0285396,0.69,c(C#N)(c1c2ccc(cc2)O)c(SCC#C)nc(N)c1C#N,0.0
54756,CO-ADD:0291657,0.69,C1(C#N)(C(OCC)=O)C(c2ccccc2)C3C(C(C#N)=C1N)=CCCC3,0.0
54757,CO-ADD:0300095,0.69,C1(C(=O)Nc2cccc(F)c2)=Cc3c(OC1=O)ccc(cccc4)c34,0.0
54758,CO-ADD:0299888,0.69,c1(OCc2ccccc2C)c(I)cc(cc1I)C=O,0.0
54759,CO-ADD:0279030,0.69,C(CSc1ccccn1)(=O)Nc(cc2)ccc2Oc(cc3)ccc3NC(CSc4ccccn4)=O,0.0
54760,CO-ADD:0278342,0.69,N1(c2cccc(Cl)c2Cl)C(=O)\C(=C\c3ccc(C)o3)\C(NC1=S)=O,0.0
54761,CO-ADD:0257421,0.69,c(c(OC)c1)(c(OC)cc1C(=S)N2CCCCC2)OC(=O)c3cccc(cccc4)c34,0.0
54762,CO-ADD:0277352,0.69,C(/C#N)(\C(OC)=O)=C\c1cccc(cccc2)c12,0.0
54763,CO-ADD:0257877,0.69,[N+](=O)([O-])c1cccc(c1C)C(=O)Nc(cccc2C(O)=O)c2,0.0
54764,CO-ADD:0278252,0.69,n12c(S\C(=C/c3cc(OC)ccc3OC)\C1=O)nc(c4ccccc4)c2c5ccccc5,0.0
54765,CO-ADD:0284068,0.69,N(NC(=O)C1CC1)(C(=O)C(C2C3(Br)c(c45)cccc4)C5(Br)c6c3cccc6)C2=O,0.0
54766,CO-ADD:0283590,0.69,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)Nc4sc5c(CCC(C(C)(C)C)C5)c4C#N)c1Br,0.0
54767,CO-ADD:0284551,0.69,c1(NCc2nc(c3n2Cc4ccccc4)cccc3)nc(c5n1CCN(CC)CC)cccc5,0.0
54768,CO-ADD:0283884,0.69,c1(C(OCC)=O)c(CC2)c(sc1N)CN2C,0.0
54769,CO-ADD:0332078,0.69,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3ccc(c(cccc4)c34)OCC,0.0
54770,CO-ADD:0331023,0.69,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(OC)c2)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
54771,CO-ADD:0330735,0.68,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)OC)cc2C(=O)N(C)c4ccc(cc4)OC(F)(Cl)F,0.0
54772,CO-ADD:0331608,0.68,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCOC(CC(CC4C5)CC56)(C6)C4)C,0.0
54773,CO-ADD:0332061,0.68,C1(C(=O)NC(c(cccc2[N+](=O)[O-])c2)CC(OCC)=O)=Cc(cc(Br)cc3OC)c3OC1=O,0.0
54774,CO-ADD:0257324,0.68,C(=C\c(ccc(c1OC)OCC(O)=O)c1)(/C(=O)NN2c3ccc(cc3)C)\C2=O,0.0
54775,CO-ADD:0258084,0.68,N(C(=O)\C(\S1)=C/c(cc2)ccc2O)=C1N3CCCCCC3,0.0
54776,CO-ADD:0258464,0.68,C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)([N+](=O)[O-])c(nc(NCC=C)nc1C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])n1,0.0
54777,CO-ADD:0287139,0.68,C(/Sc1n2c3c(cccc3)n1)(\C2=O)=C(/Sc(c45)ccc(Cl)c4)\N5C,0.0
54778,CO-ADD:0287983,0.68,C(C(OCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c(O)c3)OC,0.0
54779,CO-ADD:0287791,0.68,c1(C#N)c(SCC(=O)CC(OC(C)C)=O)nc(cc1C(F)(F)F)c2ccccc2,0.0
54780,CO-ADD:0286700,0.68,N(c1cccc(cccc2)c12)(C3=O)C(SCC(N)=O)=Nc4c3c5c(s4)CCCC5,0.0
54781,CO-ADD:0286300,0.68,C(SC\C(\CS1)=N\NC(c(cc2)ccn2)=O)(SC(S3)=O)=C13,0.0
54782,CO-ADD:0287217,0.68,N(CN(CC1)CCC12OCCO2)(N=C(N3C)c4ccc(cc4)OC)C3=S,0.0
54783,CO-ADD:0278857,0.68,N(C(=O)c(cccc1NC(=O)c2ccc(cc2)OC)c1)c3sccn3,0.0
54784,CO-ADD:0279073,0.68,C(C(=O)OC(C)C)(=C(C)OC(=C1C#N)N)C1c2ccccc2F,0.0
54785,CO-ADD:0277427,0.68,C1(c2ccccc2Cl)=NNC(=S)N1C3CCCCC3,0.0
54786,CO-ADD:0278255,0.68,n12c(S\C(=C\c(ccc(c3OC)OCc4ccc(cc4Cl)Cl)c3)\C1=O)nc(c5ccccc5)c2c6ccccc6,0.0
54787,CO-ADD:0259544,0.68,C1(C(=O)OCC2CCCCC2)=C(C)NC(=O)NC1c3ccc(cc3)C,0.0
54788,CO-ADD:0283496,0.68,c1(ccc(C(OCC)=O)o1)[N+](=O)[O-],0.0
54789,CO-ADD:0277768,0.68,C(/C(=O)c1c2cccc1)(\C2=O)=C/c(cc(n3c4ccc(cc4)Br)c5ccccc5)c3c6ccccc6,0.0
54790,CO-ADD:0278253,0.68,C(=CC(\C=C\c(cc1OC)cc(c1O)OC)=NC2=O)(C(F)(F)F)N2,0.0
54791,CO-ADD:0283685,0.68,c1(CN(C)C)nnnn1CCn2nnnc2CN(C)C,0.0
54792,CO-ADD:0284730,0.68,C12=C(CC(C)(C)CC1=O)c3c(NC2c4c[nH]nc4c5ccccc5)ccc(cccc6)c36.C(=O)O,0.0
54793,CO-ADD:0277504,0.68,C(=C/c(cc1)ccc1OCC)(/C2=O)\C(c3ccc(cc3)Cl)=NO2,0.0
54794,CO-ADD:0284709,0.68,S(=O)(=O)(c(ccc(c1C(=O)Nc2nnc(C)s2)Cl)c1)N(CC3)CCO3,0.0
54795,CO-ADD:0257769,0.68,N1(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C(=C\c(ccc(c4OC)O)c4)\C1=O,0.0
54796,CO-ADD:0257522,0.68,N1(c2ccc(cc2)Cl)C(=O)\C(\SC1=O)=C/c(ccc3c(cccc4[N+](=O)[O-])c4)o3,0.0
54797,CO-ADD:0332526,0.68,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4cccc(F)c4)[N+](=O)[O-],0.0
54798,CO-ADD:0331719,0.68,C1(C(F)(F)F)(NC(=O)c2ccccc2OCC)C(=O)N(C(=O)N1)C,0.0
54799,CO-ADD:0330783,0.68,c12c(cnn1c3ccccc3)C(N(C)C(=O)N2)=O,0.0
54800,CO-ADD:0331455,0.68,C1(CC(OC1c2ccccc2)=O)C(=O)Nc(cc3)ccc3OC,0.0
54801,CO-ADD:0330823,0.68,c1(C(OC)=O)sc(c2c1n3cccc3)nc(c(Cl)c2C)C,0.0
54802,CO-ADD:0258970,0.68,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(OC)c5OC,0.0
54803,CO-ADD:0259655,0.68,c1(N2CCCCC2)oc(nc1C#N)c3ccc(cc3)C,0.0
54804,CO-ADD:0258434,0.68,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)NCCc(ccc(c3OC)OC)c3,0.0
54806,CO-ADD:0288986,0.68,S1(=O)(=O)c2c(ccc(Cl)c2)Oc(cc(C(OC)=O)cn3)c3N1C,0.0
54807,CO-ADD:0288970,0.68,N12C(=NC(C)C1)c3c(Oc(cc(cn4)C(F)(F)F)c24)cccc3,0.0
54808,CO-ADD:0288677,0.68,C(=O)(OC(C)(C)C)N1CCCCC1c(n(CCC)c2C)nc2,0.0
54809,CO-ADD:0289037,0.68,C(C(N1c(c2)c(C)ccc2)=O)C(C(=O)O)C1,0.0
54810,CO-ADD:0286136,0.68,c1(C2=O)c(sc3c1CCC(C3)C(C)(C)C)N=C(SCc4cc(Cl)ccc4Cl)N2c5ccccc5,0.0
54811,CO-ADD:0300069,0.68,N1(c2cccc(C)c2)C(=O)NC(\C(=C\c(cc(OCO3)c3c4)c4Cl)\C1=O)=O,0.0
54812,CO-ADD:0288972,0.68,C(=NCC1)(c2c(cccc2)Sc(cc(C#N)c(F)c3)c34)N14,0.0
54813,CO-ADD:0288550,0.68,n1(CC(CCN2)C2)c(C)cnc1c(ccn3)cc3.Cl.Cl,0.0
54814,CO-ADD:0288925,0.68,n12c(c3c(Oc(cc(cn4)C(F)(F)F)c14)cccc3)cc(C(OC)=O)n2,0.0
54815,CO-ADD:0288534,0.67,n(CC(CCCN1)C1)(c(C)cn2)c2C.Cl.Cl,0.0
54816,CO-ADD:0258076,0.67,c(C#N)(c(\C(\C#N)=C\c(cn(n1)Cc2ccc(cc2Cl)Cl)c1c3ccccc3)nn4c5ccccc5)c4N,0.0
54817,CO-ADD:0258124,0.67,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c3ccccc3OC)\N2,0.0
54818,CO-ADD:0257940,0.67,C(=CNC(N1)=O)(NC(=O)c(cc2)cc(c2[N+](=O)[O-])C)C1=O,0.0
54819,CO-ADD:0278641,0.67,N1(C)C(=O)\C(\SC1=S)=C/c2cccc(cccc3)c23,0.0
54820,CO-ADD:0278736,0.67,c1(SCc(cc2)ccc2CSc3nccn3Cc4ccccc4)nccn1Cc5ccccc5,0.0
54821,CO-ADD:0259623,0.67,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
54822,CO-ADD:0277754,0.67,N(c1ccccc1OCC)C(COc(cc2)ccc2F)=O,0.0
54823,CO-ADD:0332350,0.67,N1(C(=O)\C(\SC1=S)=C/c(ccc2c3ccc(cc3)C)o2)C4=C(C)N(N(c5ccccc5)C4=O)C,0.0
54824,CO-ADD:0332527,0.67,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccccc2)N(CC3)CCN3C(=O)c4cccc(F)c4,0.0
54825,CO-ADD:0331632,0.67,S(=O)(=O)(N(CC1)CCN1C23CC(CC4C2)CC(C4)C3)c5c(Cl)cc(c(Cl)c5)OC,0.0
54826,CO-ADD:0294608,0.67,n1c(cc(C)cc2C)c2oc1c(ccc(c3NC(=O)\C=C\c4ccco4)C)c3,0.0
54827,CO-ADD:0218915,0.67,C(OC)(=O)c1ccc(cc1)CSc2ccccc2,0.0
54828,CO-ADD:0219830,0.67,[N+](=O)([O-])c1cccc(c1)NC(COc2ccccc2)=O,0.0
54829,CO-ADD:0296033,0.67,C(=O)(c(cc1)ccc1C#CC(C)(C)O)N(CC2)CCN2c3ccc(cc3)OC,0.0
54830,CO-ADD:0220345,0.67,C(CNc(cc1)ccc1C)(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
54831,CO-ADD:0220332,0.67,C(CNc1ccccc1C)(=O)N\N=C\c(cc2)ccn2,0.0
54832,CO-ADD:0293439,0.67,c1(N\N=C\c(cc2)cc(c2OC(=O)c3cc(F)c(cc3Cl)F)OC)[nH]nnn1,0.0
54833,CO-ADD:0292385,0.67,N1(CCc(cccc2)c12)C(=O)CSc3sc4c(ccc(c4)NC(CSc5nncn5C)=O)n3,0.0
54834,CO-ADD:0293239,0.67,c1(c2cccc(cccc3)c23)c(c4ccccc4)[nH]c(c(ccc(c56)OCO5)c6)n1,0.0
54835,CO-ADD:0294041,0.67,N1(Cc(ccc(c23)OCO2)c3)C(=O)CC(N(CC4)CCN4Cc(ccc(c56)OCO5)c6)C1=O,0.0
54836,CO-ADD:0292332,0.67,N1(c2cccc(O)c2)C(=O)C3C(C4C(C5C3C=C4)C(C5C6=O)C(N6c7cccc(O)c7)=O)C1=O,0.0
54837,CO-ADD:0295198,0.67,n(CC(c1ccccc1)=NN2)(c(c3ccccc3)c(n4)c5ccccc5)c24,0.0
54838,CO-ADD:0292583,0.67,N1(N=C(\C(=C\c(c2c([nH]3)cccc2)c3)\C1=O)c4ccccc4)c5scc(c6ccc(cc6)Br)n5,0.0
54839,CO-ADD:0293057,0.67,c12c(c(nn1c3ccccc3)C)cc(C(=O)N\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-])s2.CC(=O)O,0.0
54840,CO-ADD:0225543,0.67,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc(cccc4C(C)=O)c4)c2,0.0
54841,CO-ADD:0294074,0.67,C(=O)(C(OCC)=O)NC(c1ccccc1)Cc2ccccc2,0.0
54842,CO-ADD:0293815,0.67,N1(CN2CCCC(C)C2)c(cccc3)c3\C(=N\c(cc4)ccc4Br)\C1=O,0.0
54843,CO-ADD:0295182,0.67,C(C(OCC)=O)(C(c1ccccc1)N2)=C(C)N(C2=O)CCO,0.0
54844,CO-ADD:0292832,0.67,c(c1c2ccccc2)(C3c(cc4)cc(c4OC(=O)N(CC5)CCO5)OC)c([nH]n1)OC(N)=C3C#N,0.0
54845,CO-ADD:0292789,0.67,c1(NC(=O)c2ccccc2F)sc(c3c1C(=O)NCc4ccco4)CCC3,0.0
54846,CO-ADD:0221585,0.67,N(OC(N1c2ccc(cc2Cl)Cl)=O)(C3C(C)(C)SC(=S)N3c4ccccc4)C1=O,0.0
54847,CO-ADD:0299274,0.67,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1OCC)Nc2sc(c3c2C#N)CCCC3,0.0
54848,CO-ADD:0287248,0.67,C(=S)(NC(CC1)CCN1Cc2ccccc2)NC(=O)\C=C\c3cccs3,0.0
54849,CO-ADD:0220624,0.66,C(=N\NC(=O)c1ccc(cc1)C)(/c(cccc2C)c2N3)\C3=O,0.0
54850,CO-ADD:0291665,0.66,c1(C(OCC)=O)c(N)scc1c(cc2)ccc2[N+](=O)[O-],0.0
54851,CO-ADD:0291197,0.66,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)Nc(cccc4C(C)=O)c4,0.0
54852,CO-ADD:0290871,0.66,C1(CCCCC1)(C(=O)OC(C2(C)C)c3ccc(cc3)OC)C2=O,0.0
54853,CO-ADD:0290841,0.66,S(=O)(=O)(N(CC1)CCN1Cc2ccccc2)c3c(OC)ccc(I)c3,0.0
54854,CO-ADD:0291518,0.66,c1(NC(=O)c(cccn2)c2)sc(c3c1C(OCC)=O)CCCC3,0.0
54855,CO-ADD:0299408,0.66,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4[N+](=O)[O-],0.0
54856,CO-ADD:0231207,0.66,N(=C\c(cc1)ccc1O)/NC(CCCc(ccc(c2C)OC)c2)=O,0.0
54857,CO-ADD:0231294,0.66,c1(ccc(cc1Cl)Cl)C(=O)Nc(ccc(c2C)C)c2,0.0
54858,CO-ADD:0227555,0.66,c1(cc(Cl)cc(\C=N\c2cc(CC)ccc2O)c1O)[N+](=O)[O-],0.0
54859,CO-ADD:0227735,0.66,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(N)c3)n1,0.0
54860,CO-ADD:0286355,0.66,c1(SCC(O)=O)nc(C)ccc1C#N,0.0
54861,CO-ADD:0286483,0.66,N1(c2ccc(cc2)F)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
54862,CO-ADD:0291733,0.66,c12c(n(c(SCCC(C)C)n1)C\C=C\C)C(NC(=O)N2C)=O,0.0
54863,CO-ADD:0291059,0.66,S(=O)(=O)(c1ccc(cc1)C)Oc2c(Cl)cc(c(cccn3)c23)Cl,0.0
54864,CO-ADD:0290296,0.66,N12C(S\C(=C\c(cc(n3c4ccc(cc4)F)C)c3C)\C1=O)=NC(C)=C(C(OCC)=O)C2c5ccc(c(cccc6)c56)OC,0.0
54865,CO-ADD:0287960,0.66,c1(C(=O)CO2)c2c(NC(C)=O)cc3c1OC(=O)C=C3C,0.0
54866,CO-ADD:0287320,0.66,c1(NC(CSc2nncn2C)=O)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
54867,CO-ADD:0287360,0.66,N1(c2ccc(cc2)F)C(=O)CC(N(Cc(cc3)ccc3S(N)(=O)=O)C(CC)=O)C1=O,0.0
54868,CO-ADD:0287400,0.66,N1(C2c3cccc(OC)c3)C(S\C(=C/c(cc4)ccc4F)\C1=O)=NC(C)=C2C(OCC)=O,0.0
54869,CO-ADD:0286152,0.66,c1(SC)nc(c2n1CC(=O)Nc(ccc(c3C)C)c3)cccc2,0.0
54870,CO-ADD:0286872,0.66,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)sc3c(ccc(c3)NC(CSc4nnc(C)s4)=O)n1,0.0
54871,CO-ADD:0296106,0.66,c1(Sc2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C)[nH]c(c4n1)cccc4,0.0
54872,CO-ADD:0222478,0.66,C(=C\c(c1)c(O)c(cc1[N+](=O)[O-])Br)(/C2=O)\Sc(c23)cccc3,0.0
54873,CO-ADD:0219094,0.66,C(=O)(N\N=C\CCc1ccccc1)c2ccc(cc2)OCCCCCCCCCC,0.0
54874,CO-ADD:0222590,0.66,C(=O)(NCC(C)c1ccccc1)\C=C\c2ccccc2,0.0
54875,CO-ADD:0222016,0.66,C(CC(CC1C2)CC23)(C3)(C1)NC(=O)c4cccc(OC)c4,0.0
54876,CO-ADD:0220387,0.66,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(=O)Nc3cccc(OC)c3,0.0
54877,CO-ADD:0220394,0.66,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccc2OC,0.0
54878,CO-ADD:0219404,0.66,C(=O)(N\N=C\c1cc(OC)ccc1OC)C(=O)Nc(ccc(c23)cccc2)c3,0.0
54879,CO-ADD:0220902,0.66,c1(OCC(=O)N\N=C\c2ccccc2OCC(O)=O)c(Br)cc(cc1Br)C,0.0
54880,CO-ADD:0220648,0.66,C(=N\NC(CNC(=O)C(c1ccccc1)c2ccccc2)=O)(/c3c(N4)cccc3)\C4=O,0.0
54881,CO-ADD:0221176,0.66,c1(N(CC2)CCO2)nc(N\N=C(/C)\c3ccc(cc3)NC(C)=O)nc(Nc4cc(C)ccc4C)n1,0.0
54882,CO-ADD:0220357,0.66,c1(cc(C)cc(I)c1O)\C=N\c2ccc(cc2Cl)C,0.0
54883,CO-ADD:0221020,0.66,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc2cccc(CC)c2,0.0
54884,CO-ADD:0295159,0.65,N1=C(CCN1c2ccccc2)\N=C\c(cc(Cl)cc3Cl)c3OC,0.0
54885,CO-ADD:0295133,0.65,c12c(c3c(CCCC3)s1)c(nc(SCCCCCC)n2)N,0.0
54886,CO-ADD:0295292,0.65,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3cc(Br)ccc3F,0.0
54887,CO-ADD:0222700,0.65,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2ccc(cc2C)Br,0.0
54888,CO-ADD:0295015,0.65,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccccc5OC)cccc4,0.0
54889,CO-ADD:0222393,0.65,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\NC(=O)c3cccc(Br)c3,0.0
54890,CO-ADD:0220000,0.65,C(CCc1ccccc1)(=O)Nc2cccc(F)c2,0.0
54891,CO-ADD:0222459,0.65,C(=O)(Oc(cc1)ccc1C=O)c2cccc(Br)c2,0.0
54892,CO-ADD:0293797,0.65,C12(CCC(=NN1c3ccccc3)c4ccccc4)N(c5ccccc5)N=C(C(C)=O)S2,0.0
54893,CO-ADD:0294738,0.65,C(C(c1ccccc1)=O)(C2c3ccc(c4c3)OCO4)=C(O)C(N2c5ccc(c(Cl)c5)C)=O,0.0
54894,CO-ADD:0292480,0.65,S(=O)(=O)(N(C)C(CC1(C)C)CC(N1)(C)C)CC23C(C)(C)C(CC2=O)CC3.Cl,0.0
54895,CO-ADD:0292473,0.65,C(=O)(N\N=C(\CCCC1)/C1)C(O)(c2ccc(cc2)Cl)c3ccc(cc3)Cl,0.0
54896,CO-ADD:0292466,0.65,c12n(C(CS1)=O)c3c(cccc3)n2,0.0
54897,CO-ADD:0293601,0.65,N1(CNc(c2C1=O)cccc2)NC(C)=O,0.0
54898,CO-ADD:0295978,0.65,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c(cc3)ccc3C(OC)=O,0.0
54899,CO-ADD:0292499,0.65,N(CCS1)(C1)c2ccc(cc2)OC,0.0
54900,CO-ADD:0299342,0.65,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC#N)n2)Cc3ccccc3,0.0
54901,CO-ADD:0299585,0.65,c1(Sc(cc2)c(Cl)cc2[N+](=O)[O-])nnnn1c3ccccc3,0.0
54902,CO-ADD:0221500,0.65,C(C(C#N)C#N)(c1cccs1)CC(=O)c2ccc(cc2)Br,0.0
54903,CO-ADD:0220924,0.65,C(=N/NC(=O)c1ccccc1OC)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
54904,CO-ADD:0285303,0.65,C(C(=O)OC1CCCC1)(C2c3ccccn3)=C(C)NC(CC(c4ccccc4)CC5=O)=C25,0.0
54905,CO-ADD:0285815,0.65,N1(NC(=O)c(ccc(c2C3=O)C(N3CC4CCCO4)=O)c2)C(=O)c5c(cccc5)C1=O,0.0
54906,CO-ADD:0293385,0.65,N1(N=C(N2)N)C2=NC(C(C)C)=CC1=O,0.0
54907,CO-ADD:0295101,0.65,N1(c2cccc(C)c2C)NC(NC1=S)(CC3)CCC3C(C)(C)CC,0.0
54908,CO-ADD:0293512,0.65,C1(C)(C(OCC)=O)\C(=N/Nc(cc2)ccc2C)\C(C(=O)N1c3ccccc3)=O,0.0
54909,CO-ADD:0291178,0.65,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4)c1Cl,0.0
54910,CO-ADD:0229358,0.65,c1(c(C)nn(c2ccccc2)c1O)C(c3c(cccc3Cl)Cl)c4c(C)nn(c5ccccc5)c4O,0.0
54911,CO-ADD:0231224,0.65,c1(ccc(cc1Cl)Cl)C(=O)N\N=C(\C)/c2ccc(cc2)OC,0.0
54912,CO-ADD:0231317,0.65,c1(ccccc1O)C(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3F,0.0
54913,CO-ADD:0229116,0.65,C(c1ccccc1)(=O)Nc(cc2)ccc2C(=O)N\N=C\c(cc(I)cc3I)c3O,0.0
54914,CO-ADD:0229137,0.65,C(=O)(N\N=C\c1cccc(OC)c1)c(cccc2C(=O)N\N=C\c3cccc(OC)c3)c2,0.0
54915,CO-ADD:0227322,0.65,c1(\C=N\NC(CNc2cccc(cccc3)c23)=O)cc(Br)ccc1O,0.0
54916,CO-ADD:0299417,0.65,N1(c2c(Cl)ccc(Cl)c2)C(=O)c(c3C1=O)cccc3N,0.0
54917,CO-ADD:0287414,0.65,C(=C/c(cc1I)cc(c1OCc2ccccc2)I)(/C=C(O3)c4ccccc4)\C3=O,0.0
54918,CO-ADD:0291845,0.65,C(SC(CC)C(OCCCCC)=O)(=NNC(N1)=O)C1=O,0.0
54919,CO-ADD:0290293,0.65,N12C(S\C(=C\c(ccc(c3OC)O)c3)\C1=O)=NC(C)=C(C(OCC)=O)C2c4ccc(c(cccc5)c45)OC,0.0
54920,CO-ADD:0291109,0.65,C(c1c(cccc1)NC2(C)C)(\C(=N\c(cc3)ccc3S(N)(=O)=O)\SS4)=C24,0.0
54921,CO-ADD:0287962,0.64,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCCC2)C(=O)N4CCC(CC4)C(N)=O,0.0
54922,CO-ADD:0287268,0.64,n1c(SCC(=O)Nc2ccccc2C#N)[nH]nc1c3ccccc3,0.0
54923,CO-ADD:0286896,0.64,C12(c(cccc3)c3C(c4ccc(cc4)Cl)(c5ccc(cc5)Cl)S1)N(c6ccc(cc6)Br)N=C(C(OCC)=O)S2,0.0
54924,CO-ADD:0286530,0.64,S(c1ccccc1)(=O)(=O)\N=C(\S\C(\C2=O)=C\c(cccn3)c3)/N2,0.0
54925,CO-ADD:0285340,0.64,c12c(n(c(SC)n1)C)C(N(C)C(=O)N2C)=O,0.0
54926,CO-ADD:0295970,0.64,C1(C2(C)C)=C(C(SS1)=S)c3c(cc(cc3)C)N2C(=O)C(OCC)=O,0.0
54927,CO-ADD:0293731,0.64,N#CCCN(CCC#N)CC(=O)[O-].[Na+],0.0
54928,CO-ADD:0293128,0.64,S(c1ccccc1)(=O)(=O)Oc2ccccc2\C=C(\C3=O)/N=C(O3)c4cccc(C)c4,0.0
54929,CO-ADD:0295598,0.64,C12=C(C(N(c3ccc(cc3)C)C1=O)c4ccccc4)\C(\C(=O)N2c5ccc(cc5)C)=C\c6ccccc6OC,0.0
54930,CO-ADD:0293049,0.64,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3cccc(F)c3)N4CCCC4)[N+](=O)[O-],0.0
54931,CO-ADD:0220612,0.64,c12c(cc(cc1C(NCCCCCCC)=O)[N+](=O)[O-])C(c3c2ccc(c3)[N+](=O)[O-])=O,0.0
54932,CO-ADD:0219268,0.64,C(=O)(Nc(cccc1C(=O)N\N=C\c2ccccc2)c1)c3ccccc3F,0.0
54933,CO-ADD:0220500,0.64,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2CC)=O)N3CCCCC3)c1,0.0
54934,CO-ADD:0220241,0.64,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c2cc(Br)cc(C)c2O)c1,0.0
54935,CO-ADD:0222732,0.64,n1c(c2ccccc2)csc1N\N=C\c(cc3)ccc3N(C)c4ccccc4,0.0
54936,CO-ADD:0219799,0.64,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)N\N=C\c(ccc(c3OCC)OCCC)c3,0.0
54937,CO-ADD:0219585,0.64,N(C(CCC(=O)N\N=C\c(cc1)ccc1I)=O)c2ccc(cc2C)I,0.0
54938,CO-ADD:0219631,0.64,c1(c(Cl)ccc(Cl)c1)NC(CCC(OC)=O)=O,0.0
54939,CO-ADD:0222534,0.64,[N+](=O)([O-])c1cccc(\C=N\c(ccc(c2Cl)OC)c2)c1O,0.0
54940,CO-ADD:0219101,0.64,N1=C(c2ccc(cc2)Cl)CC(c3ccc(cc3)Cl)N1c4ccccc4,0.0
54941,CO-ADD:0295305,0.64,N1(c2c(OC)ccc(OC)c2)C(=O)NC(\C(=C/c3ccco3)\C1=O)=O,0.0
54942,CO-ADD:0220497,0.64,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2CC)=O)N(C)C)c1,0.0
54943,CO-ADD:0219163,0.64,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NCc(cc2)ccc2C(C)C)c1,0.0
54944,CO-ADD:0221945,0.64,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)c(OC)cc3[N+](=O)[O-],0.0
54945,CO-ADD:0226052,0.64,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4C)C(N2CC(=O)Nc(cccc5C(C)=O)c5)=O,0.0
54946,CO-ADD:0225638,0.64,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc(cc4)ccc4Br)=O,0.0
54947,CO-ADD:0293374,0.64,N1(Cc2ccccc2)\C(=N/c(cc3)ccc3OC(F)(F)F)\SC(C(O)=O)CC1=O,0.0
54948,CO-ADD:0296067,0.64,C(C(=O)c1ccc(cc1)C)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2Cc(cccn4)c4)=O,0.0
54949,CO-ADD:0292527,0.64,N1(C(C)C)C(=O)CCN(C=O)c(cccc2)c12,0.0
54950,CO-ADD:0219184,0.64,C(NCCCCCCC)(=O)CC(CO)NCCCCCCC,0.0
54951,CO-ADD:0221952,0.64,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)Nc(cc3)ccc3CCCC,0.0
54952,CO-ADD:0220622,0.64,N(/NC(CNC(=O)C(c1ccccc1)c2ccccc2)=O)=C(\c3ccccc3)/CC(C)C,0.0
54953,CO-ADD:0221623,0.64,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3c(O)ccc(cccc4)c34,0.0
54954,CO-ADD:0221631,0.64,n1(c2ccccc2)nnnc1SCC(NN)=O,0.0
54955,CO-ADD:0220712,0.64,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/C)\c3ccccc3,0.0
54956,CO-ADD:0294661,0.64,C(c1ccccc1)(CC2)(CCN2CCOc3ccccc3)C(OCC)=O,0.0
54958,CO-ADD:0220145,0.64,c1(I)ccc(\C=N\NC(CNc(cc2)ccc2C)=O)o1,0.0
54959,CO-ADD:0222779,0.63,c1(O)c(Br)c(\C=N\NC(COc2c(Br)cc(cc2Br)OC)=O)cc(Br)c1O,0.0
54960,CO-ADD:0294264,0.63,C1(=Cc2c(OC1=O)cccc2)C(=O)N(CC3)CCN3Cc(ccc(c45)OCO4)c5.Cl,0.0
54961,CO-ADD:0290408,0.63,C(=N/c1ccccc1)(/SC(C(O)=O)CC2=O)\N2CCc(cc3)ccc3OC,0.0
54962,CO-ADD:0227551,0.63,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNc(cc2)ccc2C)=O)c3ccccc3Cl,0.0
54963,CO-ADD:0229088,0.63,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\c(cc3OC)cc(c3OC)OC,0.0
54964,CO-ADD:0229744,0.63,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N\NC(COc3cccc(Cl)c3)=O)Br,0.0
54965,CO-ADD:0229736,0.63,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(COc3ccc(cc3Br)Cl)=O)Br,0.0
54966,CO-ADD:0229659,0.63,C(=O)(Nc(cc1)ccc1Cl)c2ccccc2C(OCC#C)=O,0.0
54967,CO-ADD:0286687,0.63,N1(C(=O)CSc2nnc(c(cc3)ccn3)o2)N=C(CC1(C)O)C,0.0
54968,CO-ADD:0291054,0.63,S(=O)(=O)(c1cc(C)ccc1C)n2c(C)ncc2[N+](=O)[O-],0.0
54969,CO-ADD:0286333,0.63,P(c1ccccc1)(c2ccccc2)(=O)Cc3ccccc3OCCCCP(c4ccccc4)(c5ccccc5)=O,0.0
54970,CO-ADD:0226941,0.63,C1(=N2)N(c3c(cccc3)N=C1N(CC4)CCO4)C(N2CC(=O)Nc(ccc(c5C)C)c5)=O,0.0
54971,CO-ADD:0226165,0.63,S(=O)(=O)(N(c1ccc(cc1)CC)Cc2ccccc2F)c3cccn(c(nn4)C)c34,0.0
54972,CO-ADD:0226894,0.63,c12n(c3c(cccc3)nc1SCC(=O)Nc4c(C)cc(cc4C)C)c(nn2)CC,0.0
54973,CO-ADD:0225811,0.63,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc(cc4)ccc4C(C)=O)=O,0.0
54974,CO-ADD:0226176,0.63,S(=O)(=O)(N(Cc(cc1)ccc1C=C)c(cc2)ccc2C(C)C)c3cccn(c(nn4)C)c34,0.0
54975,CO-ADD:0220162,0.63,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(cc2)ccc2C(O)=O)c1,0.0
54976,CO-ADD:0292647,0.63,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc(cc4)ccc4CC)n2,0.0
54977,CO-ADD:0222125,0.63,N1(c2c(C)ccc(c2)NC(C)=O)C(=O)c(c3C1=O)cccc3,0.0
54978,CO-ADD:0222563,0.63,C(=O)(NCC(C)c1ccccc1)c2cccc(cccc3)c23,0.0
54979,CO-ADD:0222137,0.63,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2cccc(F)c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
54980,CO-ADD:0295347,0.63,S(=O)(=O)(N1CCC(CC1)Cc2ccccc2)c3ccc(c(nsn4)c34)Br,0.0
54981,CO-ADD:0293304,0.63,c1(c(C)nc2n1ccs2)c3csc(Nc(cccc4C(O)=O)c4)n3.Cl,0.0
54982,CO-ADD:0219125,0.63,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)C(=O)Nc2cccc(F)c2,0.0
54983,CO-ADD:0292288,0.63,n1(c2ccccc2)c(S\C(\C(C)=O)=C(/C)\O)nnc1c3ccccc3Cl,0.0
54984,CO-ADD:0293288,0.63,C1(C2c(cc3)ccc3C(OC)=O)=C(CCCC1=O)c4c(ccc5c4cccn5)N2,0.0
54985,CO-ADD:0220067,0.63,S(N)(=O)(=O)c1ccc(cc1)\N=C\c(ccc(c23)OCO2)c3,0.0
54986,CO-ADD:0222689,0.63,S(=O)(=O)(c1cccc(CC)c1)Nc(cc2)c(C)cc2[N+](=O)[O-],0.0
54987,CO-ADD:0221198,0.63,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C3CCCCC3)c1CSc4ccccc4,0.0
54988,CO-ADD:0219282,0.63,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\C(\C)=C\c4ccccc4,0.0
54989,CO-ADD:0286374,0.63,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5ccccc5)C6=C2CC(C)(C)CC6=O)C#N,0.0
54990,CO-ADD:0294563,0.63,N1(C(c2ccc(cc2)OC)CC(c3ccc(cc3)OC)=N1)c4nc(ccc(c5)Br)c5c(c6ccccc6)n4,0.0
54991,CO-ADD:0294862,0.63,C(=C/c1cccn1C)(/C(=O)NC(N2CC)=S)\C2=O,0.0
54992,CO-ADD:0225884,0.62,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc(cc4)ccc4C(C)=O)C2=O,0.0
54993,CO-ADD:0286327,0.62,n1(cnnn1)c2ccccc2C(OC)=O,0.0
54994,CO-ADD:0286305,0.62,N(CC1)(CCN1CCC(=O)Nc2cccc(Cl)c2)c3ccc(cc3)Cl,0.0
54995,CO-ADD:0225913,0.62,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc4cc(C)ccc4C)C2=O,0.0
54996,CO-ADD:0226329,0.62,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(=O)NC4CCCCC4,0.0
54997,CO-ADD:0219043,0.62,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3scc(Br)c3,0.0
54998,CO-ADD:0219012,0.62,N1(C(C)(C)C#N)C(=O)c2c(cccc2)C1=O,0.0
54999,CO-ADD:0221536,0.62,N1(c2ccc(cc2)OC)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
55000,CO-ADD:0221661,0.62,C(OCCF)(=O)Nc(cc1)ccc1Cl,0.0
55001,CO-ADD:0221288,0.62,n1c2c(cccc2)ccc1SCC(=O)N\N=C\c3cccc(OC)c3,0.0
55002,CO-ADD:0221694,0.62,C(NCCOc1ccccc1Cc2ccccc2)(=S)Nc3ccc(cc3C)C,0.0
55003,CO-ADD:0286207,0.62,C(=S)(N(CC1)CCN1Cc2ccccc2)NC(=O)\C=C\c3ccco3,0.0
55004,CO-ADD:0287770,0.62,C1(=S)NC(C)(C)C=C(\C=C/c2ccccc2Cl)N1,0.0
55005,CO-ADD:0227976,0.62,c(\C=N\NC(COc1ccc(cc1OC)Br)=O)(cc(Br)cc2Br)c2OC,0.0
55006,CO-ADD:0290673,0.62,c1(c2OC)c(cc(cc1NP(OC)(OC)=O)[N+](=O)[O-])sn2,0.0
55007,CO-ADD:0229432,0.62,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c(cc2)ccc2NC(=O)c3ccc(cc3)Br,0.0
55008,CO-ADD:0227458,0.62,c1(NCC(=O)N\N=C(/C)\CCc2ccccc2)c(Br)cc(cc1Br)Br,0.0
55009,CO-ADD:0227456,0.62,c1(\C=N\NC(CNc2ccccc2OC)=O)c(O)ccc(cccc3)c13,0.0
55010,CO-ADD:0227371,0.62,c1(cc(I)ccc1O)\C=N\c(ccc(c2Cl)Cl)c2,0.0
55011,CO-ADD:0227241,0.62,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(ccc4c5ccc(cc5)Br)o4,0.0
55012,CO-ADD:0227331,0.62,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3N(CC)CC,0.0
55013,CO-ADD:0227242,0.62,C(CNc1cccc(Br)c1)(=O)N\N=C(/CCC)\CC,0.0
55014,CO-ADD:0227990,0.62,N(/NC(COc1ccc(cc1OC)Br)=O)=C(/C)\c2cccs2,0.0
55015,CO-ADD:0231783,0.62,c1(oc(c2n1)ccc(c2)\N=C\c3cccc(I)c3)c4cccc(Cl)c4Cl,0.0
55016,CO-ADD:0227857,0.62,C(=O)(N(CC1)CCN1c(cc2)ccc2[N+](=O)[O-])c3ccccc3OC,0.0
55017,CO-ADD:0291471,0.62,N(c(cc(C)c(c1)C)c12)C(=O)C(N2)CC(=O)Nc(cccc3C(F)(F)F)c3,0.0
55018,CO-ADD:0291881,0.62,c1(cnc(C)n1Cc(cc2)ccc2C)[N+](=O)[O-],0.0
55019,CO-ADD:0291457,0.62,c1(NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
55020,CO-ADD:0285010,0.62,n1(nnc(C(=O)N\N=C\c(ccc(c2CSc3sc(c4n3)cccc4)OC)c2)c1CN(CC5)CCO5)c6nonc6N,0.0
55021,CO-ADD:0285834,0.62,c12c(n(c(N(C)C)n1)C)C(N(C)C(=O)N2C)=O,0.0
55022,CO-ADD:0285844,0.62,N1(C(=O)c(cc2)ccc2[N+](=O)[O-])c3c(cccc3)C(CC1(C)C)(C)c4ccc(cc4)CC,0.0
55023,CO-ADD:0299254,0.62,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(CC1=O)NCCCCCCC,0.0
55024,CO-ADD:0287237,0.62,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3OC(F)(F)F)\N2CCc4ccccc4)N(CC5)CCO5.Br,0.0
55025,CO-ADD:0299211,0.62,c1(C2c(cc3)ccc3[N+](=O)[O-])c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
55026,CO-ADD:0292772,0.62,c12c(c3c(cccc3)o1)N=C(CSc4ccccc4)NC2=O,0.0
55027,CO-ADD:0292752,0.62,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc5ccccc5)c3)nnc1c(cc6)ccc6C(C)(C)C,0.0
55028,CO-ADD:0294889,0.62,C1(N2)=C(C(C3=C2c4c(C3=O)cccc4)c(cc5)ccc5[N+](=O)[O-])C(NC(=O)N1C)=O,0.0
55029,CO-ADD:0293882,0.62,C(=O)(Nc1cccc(C)c1)C(=O)NC(CC2)CCC2C(C)(C)C,0.0
55030,CO-ADD:0226905,0.62,n(c1c(cccc1)nc2SCC(=O)Nc(cc3)ccc3C#N)(c(C(C)C)nn4)c24,0.0
55031,CO-ADD:0225435,0.62,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5ccc(cc5C)C)=O,0.0
55032,CO-ADD:0225775,0.62,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4cccc(CC)c4)=O,0.0
55033,CO-ADD:0221802,0.62,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc(cccc2C(F)(F)F)c2.O,0.0
55034,CO-ADD:0294534,0.62,C12(CCC(NC1=O)=O)CCC(NC2=O)=O,0.0
55035,CO-ADD:0294913,0.62,C(S(C)(=O)=O)(C(c1ccccc1)N(C2=O)c3ccc(cc3)O)=C2O.C(=O)O,0.0
55036,CO-ADD:0220148,0.62,c1(c2ccc(cc2)F)ccc(\C=N\c(cc3)ccc3Cc(cc4)ccc4\N=C\c(ccc5c6ccc(cc6)F)o5)o1,0.0
55037,CO-ADD:0219178,0.62,C(I)(C1=O)=C(c2ccccc2)N=C(N)N1,0.0
55038,CO-ADD:0222595,0.62,C(=O)([O-])\C=C\c(cc1)ccc1OC,0.0
55039,CO-ADD:0295874,0.62,c12c([nH]nc1C(C)(C)C)OC(N)=C(C#N)C2c(ccc3[N+](=O)[O-])o3,0.0
55040,CO-ADD:0296172,0.62,N1(C(C)=CC(NC1=S)(C)C)NC(=O)c2ccccc2C,0.0
55041,CO-ADD:0295834,0.62,C(/C#N)(=C/c1ccco1)\C(=O)Nc(cc2)ccc2Cl,0.0
55042,CO-ADD:0292388,0.61,n(c(N)cc(n1)O)c1SCc2c(C)cc(cc2C)C,0.0
55043,CO-ADD:0222061,0.61,c12c(CCCC1NCc3ccccc3)c4c(ccc(Br)c4)[nH]2,0.0
55044,CO-ADD:0293806,0.61,c12c(ccc(cccc3)c13)c4c(oc(cc5C#N)c(cc5C#N)o2)ccc(cccc6)c46,0.0
55045,CO-ADD:0295581,0.61,C(F)(F)(F)c(cc1)ccc1C(=O)NCC(OCC)=O,0.0
55046,CO-ADD:0219498,0.61,c1(c(C)ccc(Cl)c1)\N=C\C=C(/O)\c2ccc(cc2)OC,0.0
55047,CO-ADD:0293933,0.61,c12c(CCc(cccc3)c13)c(c4c(cccc4)n2)C(=O)Nc5ccccc5,0.0
55048,CO-ADD:0220894,0.61,C(=N/NC(=O)c1ccc(cc1)Br)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
55049,CO-ADD:0220846,0.61,N(=C(/C)\c1ccc(cc1)Br)/NC(CNc2c(Br)cc(c(Br)c2)Br)=O,0.0
55050,CO-ADD:0290434,0.61,c12c(ncn(c3c(cccc3)n4)c14)c(c5s2)c(COC)cc(C)n5,0.0
55051,CO-ADD:0299551,0.61,S(=O)(=O)(N1CCCCC1)c2cccc(C(=O)c(c3C4=O)cccc3)c24,0.0
55052,CO-ADD:0291129,0.61,C1(C(=O)c2ccc(cc2)OC)=C(O)C(NC1c3ccc(cc3OC)OC)=O,0.0
55053,CO-ADD:0285544,0.61,N(=C(/C)\c1ccc(c(OC)c1)OC)/NC(=O)c2cccc(F)c2,0.0
55054,CO-ADD:0285648,0.61,c1(nnc(ccc(cccc2)c23)n13)c4cc(Cl)cc(Cl)c4OC,0.0
55055,CO-ADD:0285215,0.61,c1(c(C)nn2c(cc3)ccc3C(OCC)=O)c2CC(C)(C)CC1=O,0.0
55056,CO-ADD:0295713,0.61,C(NC(C)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c(CC)c1C#N)C,0.0
55057,CO-ADD:0299738,0.61,[N+](=O)([O-])c1ccc(c2c1cccn2)NCCOc(cc3)ccc3C(C)(C)C,0.0
55058,CO-ADD:0285555,0.61,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(c3ccccc3)c1CSc4ccccc4,0.0
55059,CO-ADD:0299267,0.61,C(C(F)(F)F)(C(F)(F)F)(NC(c1ccccc1)=O)Nc2sc(c3c2C#N)CCCCC3,0.0
55060,CO-ADD:0299588,0.61,C(=O)(NC(CO)(CO)CO)C(=O)Nc1ccccc1,0.0
55061,CO-ADD:0299765,0.61,N1(CN(CC2)CCC23OCCO3)N=C(N(C)C1=S)COc(cc4)ccc4C5CCCCC5,0.0
55062,CO-ADD:0299805,0.61,N1(Cc(cc2)ccc2F)C(=O)NC(\C(=C/c(ccc(c3OC)O)c3)\C1=O)=O,0.0
55063,CO-ADD:0221328,0.61,c1(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc(c2c1C(OCC)=O)CC(CC2)C,0.0
55064,CO-ADD:0222209,0.61,c1(cc(Br)cc(\C=N\c(ccc(c2o3)nc3c4ccc(c5c4)cccc5)c2)c1O)[N+](=O)[O-],0.0
55065,CO-ADD:0221460,0.61,S(=O)(=O)(NC(C)c1ccccc1)c2cccc3c2cccc3S(=O)(=O)NC(C)c4ccccc4,0.0
55066,CO-ADD:0221428,0.61,C(=NNC1=S)(N(c2ccccc2)C(=O)c(c34)c5c(CCCC5)s3)N14,0.0
55067,CO-ADD:0221374,0.61,c1(C(OCC)=O)oc(c2c1NC(=O)CN(CC3)CCO3)ccc(Br)c2.Cl,0.0
55068,CO-ADD:0219279,0.61,C(F)(F)(C(CF)(F)F)C(F)(F)C(F)OC(=O)Nc1cccc2c1cccc2NC(=O)OC(F)C(F)(F)C(F)(F)C(CF)(F)F,0.0
55069,CO-ADD:0290521,0.61,N(c1cccc(Cl)c1)(C(c(cc2)ccc2C(C)C)C=C3Nc4cccc(Cl)c4)C3=O,0.0
55070,CO-ADD:0227349,0.61,c1(Br)ccc(\C=N\NC(CNc2cccc(cccc3)c23)=O)o1,0.0
55072,CO-ADD:0285141,0.61,N1(c2ccccc2F)C(=O)C(CC1=O)S\C(\NC)=N\c(ccc(c34)OCO3)c4,0.0
55073,CO-ADD:0229204,0.61,N1(c2cc(C)ccc2C)C(=O)c(c3C1=O)ccc(C(OC)=O)c3,0.0
55074,CO-ADD:0229182,0.61,c1(c(C)nn(c2ccccc2)c1O)C(c3ccccc3OCCCCCCC)c4c(C)nn(c5ccccc5)c4O,0.0
55075,CO-ADD:0229739,0.61,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc2ccc(cc2Br)Cl)=O)O,0.0
55076,CO-ADD:0229573,0.61,N1(c2c(Cl)ccc(Cl)c2)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
55077,CO-ADD:0227295,0.61,c1(c(Br)cc(cc1\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)Br)OC(c3ccccc3)=O,0.0
55078,CO-ADD:0227585,0.61,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2c(OCC)ccc(cccc3)c23)=C/c4cccs4,0.0
55079,CO-ADD:0227566,0.61,c1(Br)c(O)c(\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C/c3cccs3)cc(Br)c1O,0.0
55080,CO-ADD:0231214,0.61,N(/c(cc1)ccc1O)=C\c(cc2)ccc2OCc3ccccc3,0.0
55081,CO-ADD:0284981,0.61,C(C(=O)OC1CCCCC1)(C2c(cc3)ccc3N(CC)CC)=C(C)NC(CC(c4ccc(cc4)Cl)CC5=O)=C25,0.0
55082,CO-ADD:0285013,0.61,c1(C2c(ccc(c34)OCO3)c4)c(CCN2C(=O)c5ccc(cc5)C)c6c(cccc6)[nH]1,0.0
55083,CO-ADD:0285301,0.6,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)OC)C3c5ccc(c6c5)OCO6,0.0
55084,CO-ADD:0285853,0.6,C1(S2)(SC(=C2C(OCC)=O)C(OCC)=O)C(C(OCC)=O)=C(C(OCC)=O)SC(C(N3C(=O)C(F)(F)F)(C)C)=C1c4c3cc(C)cc4,0.0
55085,CO-ADD:0285247,0.6,c1(C(c2ccccc2)=O)oc(c3c1NC(C)=O)ccc(OC)c3,0.0
55086,CO-ADD:0284968,0.6,C(C(=O)OCc1ccccc1)(C2c3ccccn3)=C(C)NC(CC(c4ccc(cc4)Cl)CC5=O)=C25,0.0
55087,CO-ADD:0299643,0.6,c1(nc(CSc(cc2)ccc2C)cc(O)n1)Nc3nc(ccc(c4)OCC)c4c(C)n3,0.0
55088,CO-ADD:0299223,0.6,N1(CC)C(=O)CC(N(CC2)CCN2c3ccc(cc3)Cl)C1=O,0.0
55089,CO-ADD:0299711,0.6,c1(SCC(=O)Nc(cc2)ccc2OC(F)(F)F)nc(C)cc(C)n1,0.0
55090,CO-ADD:0293656,0.6,c1(NN)c(CC)cccc1C.Cl,0.0
55091,CO-ADD:0293952,0.6,N1=C(SCC=C)NC2(CCCCC2)C3=C1CCCC3.Br,0.0
55092,CO-ADD:0293353,0.6,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5cccc(c5)OCc6ccccc6)cccc4,0.0
55093,CO-ADD:0294453,0.6,C(C)(C)(C(=O)O1)C(=O)C2(C1c3ccc(cc3Cl)Cl)CCCCC2,0.0
55094,CO-ADD:0292781,0.6,[N+](=O)([O-])c1ccc(cc1NC(=O)CN(CC2)CCO2)N(CC3)CCN3C(C)=O,0.0
55095,CO-ADD:0226946,0.6,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc(cc5OC)cc(c5OC)OC,0.0
55096,CO-ADD:0226130,0.6,S(=O)(=O)(N(Cc1cccc(Cl)c1)c2cc(F)cc(F)c2)c3cccn(cnn4)c34,0.0
55097,CO-ADD:0292811,0.6,C12C(OC(C)(C)O1)C(OC3C2OC(O3)(C)C)C(=O)NNC(c4ccccc4)=O,0.0
55098,CO-ADD:0294112,0.6,c1(N2CCc(c3C2)cccc3)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
55099,CO-ADD:0222343,0.6,c1(oc2c(ccc(C)c2)n1)c3ccc(cc3O)\N=C\c4cccc(I)c4O,0.0
55100,CO-ADD:0292686,0.6,C(=C/c1ccccc1OC(=O)c2ccccc2Br)(/C(C)=NN3c4ccccc4)\C3=O,0.0
55101,CO-ADD:0294331,0.6,C(C(OC)=O)(=C(C)N(C)C(=C1C(OC)=O)C)C1c2ccc(C)s2,0.0
55102,CO-ADD:0292782,0.6,N1(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C(=C\c(ccc(c45)OCO4)c5)\C1=O,0.0
55103,CO-ADD:0222789,0.6,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3ccco3,0.0
55104,CO-ADD:0293045,0.6,n1(C)c(S)nnc1C2CCCC2,0.0
55105,CO-ADD:0293042,0.6,N1(c2ccc(cc2)OC(F)(F)F)C(=O)C(CC1=O)S\C(\NC)=N\c(ccc(c3C)C)c3,0.0
55106,CO-ADD:0219624,0.6,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)NC(C)CC,0.0
55107,CO-ADD:0293874,0.6,C12(Nc(cccc3)c3C(=O)N1)c4c(N(CC=C)C2=O)cccc4,0.0
55108,CO-ADD:0218905,0.6,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2C(C)C)CC(=O)N\N=C\c(ccc(c3OC)OCCC)c3,0.0
55109,CO-ADD:0219726,0.6,C(CCC(=O)N\N=C\c(cc1)ccc1Br)(=O)Nc2cccc(Br)c2,0.0
55110,CO-ADD:0220512,0.6,[N+](=O)([O-])c(cc1)cc(c1N(C)C2CCCCC2)\C=N\NC(COc(cc3)ccc3CC)=O,0.0
55111,CO-ADD:0219119,0.6,s(c(N)nn1)c1C(C)C,0.0
55112,CO-ADD:0219984,0.6,c1(Br)c(ccc(Br)c1)OCC(O)=O,0.0
55113,CO-ADD:0219421,0.6,c1(C)c(cccc1NC(CCC(=O)N\N=C\c2ccccc2Cl)=O)Cl,0.0
55114,CO-ADD:0220039,0.6,C(/C1=O)(\Nc2c1cc(cc2Br)Br)=C(\C3=O)/Nc4c3cc(cc4Br)Br,0.0
55115,CO-ADD:0219356,0.6,N(/NC(CCC(=O)Nc1cccc(Cl)c1)=O)=C\c2ccco2,0.0
55116,CO-ADD:0285491,0.6,C(CNCc1ccccc1)(CNC(c2ccccc2)=O)([N+](=O)[O-])[N+](=O)[O-],0.0
55117,CO-ADD:0285444,0.6,C12(c3c(cccc3)C(=NN1c4ccccc4)c(cc5)ccc5C(C)(C)C)SC(=NN2c6ccc(cc6)Cl)C(C)=O,0.0
55118,CO-ADD:0285766,0.6,c1(C2c3ccco3)c(sc(C#N)c1N)NC(C)=C2C(=O)Nc4ccccc4OC,0.0
55119,CO-ADD:0299683,0.6,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccc(cc3CSc4ccccn4)OC,0.0
55120,CO-ADD:0295927,0.6,C(C#N)(C1c2ccc(cc2)OCCC)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
55121,CO-ADD:0292674,0.59,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc2C(=O)N4CCCCC4CC,0.0
55122,CO-ADD:0299592,0.59,c1(SCc2ccccc2Cl)sc(c3n1)ccc(N(C)C)c3,0.0
55123,CO-ADD:0299729,0.59,[N+](=O)([O-])c1ccc(cc1NCCCN(CC2)CCO2)Cl,0.0
55124,CO-ADD:0299737,0.59,c12c(n(c(NCCc3ccccc3)n1)C)C(N(C)C(=O)N2C)=O,0.0
55125,CO-ADD:0225834,0.59,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)Nc(ccc(c4Cl)OC)c4)=O,0.0
55126,CO-ADD:0226242,0.59,S(=O)(=O)(N(c1ccc(c2c1)OCO2)CC(=O)OC(C)(C)C)c(ccc3n4c(C)nn3)c4,0.0
55127,CO-ADD:0287994,0.59,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5)ccc5N(CC)CC)cccc4,0.0
55128,CO-ADD:0290435,0.59,[N+](=O)([O-])c1cc(cc2c1C=Cc(c3O2)cccc3OCC)[N+](=O)[O-],0.0
55129,CO-ADD:0290404,0.59,N1(Cc2ccccc2)\C(=N\c(cc3)ccc3Cl)\SC(C(O)=O)CC1=O,0.0
55130,CO-ADD:0290670,0.59,N1(C(CC2(C)C)CC(N2)(C)C)C(C)(O)C(OC1=O)(CC3(C)C)CC(N3)(C)C,0.0
55131,CO-ADD:0291533,0.59,N1(C(=O)\C=C\c2ccccc2)C(C)(C)C=C(c(cc3C(c4ccccc4)(c5ccccc5)c6ccccc6)c1cc3)C,0.0
55132,CO-ADD:0288010,0.59,c1(sc(c2n1)cccc2)Sc(c(cccc3)c3c(n4)c5ccccc5)n4,0.0
55133,CO-ADD:0291147,0.59,c(c1c2ccccc2)(C3c4c(cccc4F)Cl)c([nH]n1)OC(N)=C3C#N,0.0
55134,CO-ADD:0290835,0.59,S(=O)(=O)(c1c(OC)ccc(Br)c1)n2c(C)ncc2[N+](=O)[O-],0.0
55135,CO-ADD:0290899,0.59,N1(Cc(cc2)ccc2F)c3c(c4C1=O)c(ccc3)ccc4,0.0
55136,CO-ADD:0285205,0.59,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3Cl)\N2CCc(ccc(c4OC)OC)c4)N5CCCC5.Br,0.0
55137,CO-ADD:0290706,0.59,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2C)C)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
55138,CO-ADD:0229397,0.59,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
55139,CO-ADD:0290668,0.59,n1c(OC)c(cccc2)c2c(OC)n1,0.0
55140,CO-ADD:0231809,0.59,c1(O)c(Br)c(\C=N\NC(COc2ccc(cc2Br)OC)=O)cc(Br)c1O,0.0
55141,CO-ADD:0227769,0.59,S1(=O)(=O)c2c(C(Nc(cccn3)c3)=N1)ccc(c2)[N+](=O)[O-],0.0
55142,CO-ADD:0229718,0.59,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O,0.0
55143,CO-ADD:0291693,0.59,c1(N=C(C)NC2=O)c2cc(cc1[N+](=O)[O-])Br,0.0
55144,CO-ADD:0286960,0.59,n1c(c2ccc(cc2)Cl)[nH]c(c3ccccc3)c1c(ccc(c4C5=O)c(c56)ccc(c6)[N+](=O)[O-])c4,0.0
55145,CO-ADD:0231322,0.59,S(=O)(=O)(c1ccc(cc1)Cl)NC(Cc2ccccc2)C(=O)N\N=C(/CCCC3)\C3,0.0
55146,CO-ADD:0286576,0.59,C(c(cc1)cc(c1[N+](=O)[O-])C)(O2)=Nc(c3C2=O)ccc(OC(C)=O)c3,0.0
55147,CO-ADD:0227521,0.59,c1(O)c(C)c(O)cc(C)c1\C=N/NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O,0.0
55148,CO-ADD:0299494,0.59,n1(c2cccc(Cl)c2)c(c3ccc(cc3)Cl)cc(c4ccc(cc4)Cl)n1,0.0
55149,CO-ADD:0285322,0.59,N1(CC(O2)=O)C2(C)CC(C)(C)NC1=S,0.0
55150,CO-ADD:0299188,0.59,c(c1c([nH]2)cccc1)(c2)\C=C(/NC(C)=O)\C(=O)NC(Cc(c3c([nH]4)cccc3)c4)C(O)=O,0.0
55151,CO-ADD:0299212,0.59,c(c1c2ccccc2)(C3c(cc4)ccc4C(OC)=O)c([nH]n1)OC(N)=C3C#N,0.0
55152,CO-ADD:0299915,0.59,c1(ccco1)\C=C\C(NCCOc(ccc(c2C)C)c2)=O,0.0
55153,CO-ADD:0286964,0.59,n1c(c(cc2)ccc2C(O)=O)[nH]c(c3ccccc3)c1c(ccc(c4C5=O)c(c56)ccc(c6)[N+](=O)[O-])c4,0.0
55154,CO-ADD:0286580,0.59,C(C1)(=Nc(cccc2)c2N=C1c3ccccc3)C(F)(F)C(F)F,0.0
55155,CO-ADD:0294457,0.59,c1(ccccc1Sc2ccccc2C#N)C(NCCOc(ccc(c3C)C)c3)=O,0.0
55156,CO-ADD:0292366,0.59,c1(nonc1N)\C(\N)=N/NC(CCCCCO)=O,0.0
55157,CO-ADD:0294793,0.59,c1(N2CCCCC2)c3c(cccc3)c(nn1)c4ccc(cc4)OC,0.0
55158,CO-ADD:0294969,0.59,N1(C(=O)c2c(cccc2)C1=O)c3nnc(SCc(c(OC)ccc4[N+](=O)[O-])c4)s3,0.0
55159,CO-ADD:0295716,0.59,C(C(OC)=O)(C(F)(F)F)(NC(c1ccccc1)=O)Nc2sc(c(CC)c2C#N)C,0.0
55160,CO-ADD:0295645,0.59,C(/C(C)=NN1c2ccccc2)(=C\c(cc(n3C4CCCCC4)C)c3C)\C1=O,0.0
55161,CO-ADD:0292552,0.59,n(c(Oc(cc1)ccc1CCC)cc(n2)Cl)c2N,0.0
55162,CO-ADD:0292537,0.59,N1(CC)C(=O)CCN(CC)c(cccc2)c12.Cl,0.0
55163,CO-ADD:0295608,0.59,C(C(C)=O)(C1c2cccc(OC)c2)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
55164,CO-ADD:0293117,0.59,C1(c2cccs2)=Nc3c(ccc(c3)[N+](=O)[O-])C(=O)O1,0.0
55165,CO-ADD:0293269,0.59,C(=O)(Nc(cc1)ccc1Cl)c2ccccc2NC(=O)c3ccco3,0.0
55166,CO-ADD:0292934,0.59,c1(cn(c(C)n1)CC(OC)=O)[N+](=O)[O-],0.0
55167,CO-ADD:0295138,0.58,c1(CN2CCCCC2)c(C)nc(c3c1O)ccc(OC)c3,0.0
55168,CO-ADD:0292908,0.58,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc(ccc(c4Cl)F)c4)c1Cl,0.0
55169,CO-ADD:0222638,0.58,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)N\N=C(\C)/c4cccc(cccc5)c45,0.0
55170,CO-ADD:0220149,0.58,C(CNc(cc1)ccc1C)(=O)N\N=C\C=C\c2ccco2,0.0
55171,CO-ADD:0219444,0.58,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCC(=O)Nc2cccc(Cl)c2C)=O,0.0
55172,CO-ADD:0220142,0.58,c1(Br)ccc(\C=N\NC(CNc(cc2)ccc2C)=O)o1,0.0
55173,CO-ADD:0220855,0.58,N(C(=O)c1ccc(cc1)NC(CCCCCCCCC)=O)c2c(cccc2Cl)Cl,0.0
55174,CO-ADD:0221904,0.58,C1(NC(=O)c(cc2)ccc2C(=O)NC3=C(C)N(N(c4ccccc4)C3=O)C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
55175,CO-ADD:0285453,0.58,N1(C(C)CC(c(cccc2)c12)Nc3ccccc3)C(=O)c(c4)cc(cc4[N+](=O)[O-])[N+](=O)[O-],0.0
55176,CO-ADD:0299205,0.58,c(c1c2ccccc2)(C3c(cc4)cc(c4OC(=O)N(CC5)CCO5)OCC)c([nH]n1)OC(N)=C3C#N,0.0
55177,CO-ADD:0295820,0.58,C1(=CC(=O)Oc2c1ccc(c2)OC(C)=O)c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3,0.0
55178,CO-ADD:0226390,0.58,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5ccc(cc5OC)OC)=O,0.0
55179,CO-ADD:0225890,0.58,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)Nc(ccc(c4C(F)(F)F)Cl)c4)C2=O,0.0
55180,CO-ADD:0299595,0.58,C1(C(OCC)=O)=CNc(c2C1=O)ccc(c2)OC(F)(F)Cl,0.0
55181,CO-ADD:0299780,0.58,N1(c2ccccc2C)C(=O)\C(=C\C=C\c3ccco3)\C(NC1=O)=O,0.0
55182,CO-ADD:0226151,0.58,S(=O)(=O)(N(Cc1cccc(OC)c1)c2cc(C)cc(C)c2)c3cccn(c(nn4)C)c34,0.0
55183,CO-ADD:0299466,0.58,N1(c(cccc2C(F)(F)F)c2)NC(=O)c(c3C1=O)cccc3,0.0
55184,CO-ADD:0286579,0.58,c(c(c1c(C2=O)cccc1)on3)(c2ccc4C(=O)Nc(cc5)ccc5C)c34,0.0
55185,CO-ADD:0286474,0.58,c12c(c3c(cccc3)[nH]1)nnc(SCc(cc4)ccc4Cl)n2,0.0
55186,CO-ADD:0286258,0.58,C(=N/c(cc1)ccc1F)(/SC(C(O)=O)CC2=O)\N2CCc3ccccc3,0.0
55187,CO-ADD:0299459,0.58,c1(cc(ccc1N(CC2)CCN2C(=O)c3ccc(cc3)F)C(F)(F)F)[N+](=O)[O-],0.0
55188,CO-ADD:0299721,0.58,c1(cc(ccc1N(CC2)CC(N2C(=O)c3ccc(cc3)C)C)[N+](=O)[O-])[N+](=O)[O-],0.0
55189,CO-ADD:0285325,0.58,N1(c(cccc2C(F)(F)F)c2)C(CSc3nnc(c4ccc(cc4)OC)n3c5ccccc5)=Nc(c6C1=O)cccc6,0.0
55190,CO-ADD:0285510,0.58,c1(N(CC2)CCN2C(=O)c3ccccc3F)sc(c4n1)cccc4,0.0
55191,CO-ADD:0290658,0.58,c1(ccn(CC(=O)Nc2ccc(cc2F)F)n1)[N+](=O)[O-],0.0
55192,CO-ADD:0231758,0.58,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3[N+](=O)[O-])c4cccc(Cl)c4Cl,0.0
55193,CO-ADD:0229889,0.58,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cccc3OC(=O)c(cc4OC)cc(c4OC)OC)c3,0.0
55194,CO-ADD:0290508,0.58,C1(N(C)C(=O)c2ccco2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
55195,CO-ADD:0290749,0.58,S(=O)(=O)(c1ccc(c(C)c1)C)N(CC2)CCN2c3ccc(cc3)F,0.0
55196,CO-ADD:0229418,0.58,C(=O)(C1CCCN1CCCCC)Nc2c(C)cc(cc2C)C,0.0
55197,CO-ADD:0286984,0.58,c1(C(OCC)=O)c(C)c(sc1N)C(=O)Nc2ccccc2,0.0
55198,CO-ADD:0229733,0.58,c1(O)c(OC)cc(cc1OC)\C=N\NC(COc2ccc(cc2Br)Cl)=O,0.0
55199,CO-ADD:0287000,0.58,C(=O)(Nc(cc1)ccc1F)Nc2ccc(cn2)Cl,0.0
55200,CO-ADD:0231285,0.57,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc3cccc(cccc4)c34,0.0
55201,CO-ADD:0231710,0.57,c1(C(=O)N\N=C\c(cc(Br)cc2Br)c2O)nn(c(c3ccccc3)n1)c4ccccc4,0.0
55202,CO-ADD:0299952,0.57,C(/C#N)(\C#N)=C/N(CC(OCC)=O)C(C)=O,0.0
55203,CO-ADD:0285297,0.57,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)OC)C3c5ccccc5F,0.0
55204,CO-ADD:0285809,0.57,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c4cccc(Cl)c4C)o3,0.0
55205,CO-ADD:0285833,0.57,c12c(n(c(Sc3[nH]c(c4n3)cccc4)n1)C)C(N(C)C(=O)N2C)=O,0.0
55206,CO-ADD:0300027,0.57,C1(=O)Oc2c(C=C1c(cc3)ccc3[N+](=O)[O-])cccc2OC,0.0
55207,CO-ADD:0287953,0.57,N1(c2ccccc2)C(=O)C(CC1=O)Sc3nc(c4cccs4)cc(C(F)(F)F)c3C#N,0.0
55208,CO-ADD:0287368,0.57,C(=C/c1cccc(c1)OCc2ccccc2F)(/C(=O)NC(N3)=S)\C3=O,0.0
55209,CO-ADD:0287250,0.57,N1(c(cc2)ccc2N3C(=O)C(CC3=O)Sc4ncccn4)C(=O)C(CC1=O)Sc5ncccn5,0.0
55210,CO-ADD:0287930,0.57,c12c(nnc(SCC(=O)Nc(cc3)ccc3Br)n1)c(c4n2C)cc(cc4)Br,0.0
55211,CO-ADD:0295452,0.57,N1(C(=O)CSC1=S)NC(=O)C(CC(N2c3ccccc3)=O)C2,0.0
55212,CO-ADD:0295662,0.57,[C@@]12(O)[C@@H](CC(C(C34)CCC(CC(O)CC5)[C@@]35C)[C@]1(C)CC4)SC(=NCC6)N26,0.0
55213,CO-ADD:0295943,0.57,c(Nc1ccccc1[N+](=O)[O-])(n2)nc(nc2OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F,0.0
55214,CO-ADD:0226146,0.57,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(cc2)Cl)c3cccn(c(nn4)CC)c34,0.0
55215,CO-ADD:0226936,0.57,C1(=N2)N(c3c(cccc3)N=C1Sc4cccc(OC)c4)C(N2CC(=O)Nc(ccc(c5C)C)c5)=O,0.0
55216,CO-ADD:0295244,0.57,n1(Cc(cccc2C(=O)Nc(cc3)ccc3I)c2)c(C)c(c(C)n1)Br,0.0
55217,CO-ADD:0221143,0.57,C(=O)(c1cccs1)Nc2ccc(cc2F)F,0.0
55218,CO-ADD:0295188,0.57,N12C(S\C(=C\c(cc3)ccc3Br)\C1=O)=NN=C(c4ccccc4)C2c5ccccc5,0.0
55219,CO-ADD:0220203,0.57,N(/NC(CNc(cc1)ccc1C)=O)=C(/C)\c2ccco2,0.0
55220,CO-ADD:0219748,0.57,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)c(cc2)ccc2N(C)C,0.0
55221,CO-ADD:0222132,0.57,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(=O)Cc3ccc(c(cccc4)c34)Br,0.0
55222,CO-ADD:0295350,0.57,N1C(SCC)=NC(=C(CC)C1=O)C,0.0
55223,CO-ADD:0293846,0.57,[N+](=O)([O-])Nc1ccccn1,0.0
55224,CO-ADD:0222376,0.57,n1c(ccc(c2)C)c2oc1c3ccc(cc3)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
55225,CO-ADD:0219643,0.57,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(\C)/CC(=O)Nc2c(OC)ccc(OC)c2,0.0
55226,CO-ADD:0219644,0.57,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(NCCc(ccc(c2OC)OC)c2)=O,0.0
55227,CO-ADD:0219526,0.57,C(=O)(c1ccc(cc1)Cl)N\N=C(/C)\C=C\c2ccccc2F,0.0
55228,CO-ADD:0220775,0.57,c1(\C=N\NC(CNc2cccc(C)c2)=O)cc(Br)ccc1OC,0.0
55229,CO-ADD:0220427,0.57,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O,0.0
55230,CO-ADD:0293182,0.57,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2c3ccc(cc3F)C(C)=O)F,0.0
55231,CO-ADD:0295313,0.57,N1(c2ccc(cc2)OC)C(=O)\C(=C\Nc3ccccc3C)\C(NC1=O)=O,0.0
55232,CO-ADD:0220022,0.57,c1(cc(Cl)ccc1N(CC2)CCO2)[N+](=O)[O-],0.0
55233,CO-ADD:0295310,0.57,N1(c2ccccc2C)C(=O)\C(=C\NCCCC)\C(NC1=O)=O,0.0
55234,CO-ADD:0293183,0.57,c12c(ccc3c1OC(=O)C=C3C)occ2Nc4cccc(cccc5)c45,0.0
55235,CO-ADD:0220237,0.57,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c2cccc(Br)c2,0.0
55236,CO-ADD:0285759,0.57,N12[C@@H](C1c(cc3)ccc3[N+](=O)[O-])C(=N[C@H]2c4ccccc4F)c5ccccc5,0.0
55237,CO-ADD:0295616,0.57,c12c(CCNC1c3ccc(cc3)OC)cc(c(OC)c2)OC,0.0
55238,CO-ADD:0292487,0.57,C1(SCC(=O)N1c2ccc(cc2)C)(c3c(N4CN(CC5)CCC5C(OCC)=O)cccc3)C4=O,0.0
55239,CO-ADD:0296084,0.57,S(=O)(=O)(N(CC=C)CC=C)c1nnc[nH]1,0.0
55240,CO-ADD:0292727,0.57,N1(C(C)=O)C(C)CC(Nc(ccc(N)c2)c12)=O,0.0
55241,CO-ADD:0285593,0.57,C(C)(C(=O)NCc(cccn1)c1)(CC(c(c23)cccc2)c(c45)cccc4)C35,0.0
55242,CO-ADD:0225407,0.57,C1(=N2)N(C=Cn(nc(c3ccc(cc3)F)c4)c14)C(N2CC(=O)Nc(cc5)ccc5Br)=O,0.0
55243,CO-ADD:0225410,0.56,C1(=N2)N(C=Cn(nc(c3ccc(cc3)F)c4)c14)C(N2CC(=O)Nc5ccc(cc5OC)OC)=O,0.0
55244,CO-ADD:0225771,0.56,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4ccccc4C)=O,0.0
55245,CO-ADD:0221523,0.56,N1(c2cccc(C)c2)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
55246,CO-ADD:0221620,0.56,C(CCC(NCC=C)=O)(=O)NCc1ccccc1,0.0
55247,CO-ADD:0221633,0.56,[N+](=O)([O-])c1c(NCCN)ccc(Cl)c1.Cl,0.0
55248,CO-ADD:0218932,0.56,C(=O)(N\N=C\c(cc1)ccc1OCCC)C(=O)Nc2c(C)ccc(Cl)c2,0.0
55249,CO-ADD:0221734,0.56,n1(c2ccccc2)nc(c(\C=N\NC(=O)c3c(O)cc(c4c3)cccc4)c1Cl)C,0.0
55250,CO-ADD:0221767,0.56,C(NCCOc1ccccc1Cc2ccccc2)(=O)c3ccc(cc3)I,0.0
55251,CO-ADD:0285790,0.56,C(=O)(N1CCCCCC1)c2ccccc2NC(=O)C(C)Oc3cccc(Cl)c3,0.0
55252,CO-ADD:0286743,0.56,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc(scc3c4cc(c5o4)cccc5)n3,0.0
55253,CO-ADD:0290397,0.56,C1(C(=O)c2ccc(cc2)OCC)=C(O)C(N(c3ccc(cc3)C)C1(O)C(OC)=O)=O,0.0
55254,CO-ADD:0285185,0.56,N(Cc1ccccc1Cl)(c(cccc2)c2C3(O)CC(=O)c4ccc(cc4)Br)C3=O,0.0
55255,CO-ADD:0290704,0.56,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)F)n3c(c4c(cc3)cccc4)c1S(CCC)(=O)=O,0.0
55256,CO-ADD:0290736,0.56,n1(cnc(cc(C)c(C)c2)c12)S(=O)(=O)c3ccc(cc3)NC(C)=O,0.0
55257,CO-ADD:0229344,0.56,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc(OCO2)c2c3)c3Br)c4c(OC)ccc(Cl)c4,0.0
55258,CO-ADD:0285180,0.56,S(=O)(=O)(N1CCCCC1)c2csc(C(=O)Oc(cccc3NC(c4ccccc4)=O)c3)c2,0.0
55259,CO-ADD:0229626,0.56,c1(cc(n2c3ccc(cc3)Br)c4ccccc4)c2CC(C)(C)CC1=O,0.0
55260,CO-ADD:0299961,0.56,c1(\C(\CC2)=C\c3cccs3)c2c(c4cccs4)c(c(SCC(=O)c5ccc(cc5Cl)Cl)n1)C#N,0.0
55261,CO-ADD:0227389,0.56,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(CNC(=O)c3ccccc3Br)=O,0.0
55262,CO-ADD:0231764,0.56,c1(oc(c2n1)ccc(c2)\N=C\c3cc(Br)cc(OC)c3O)c4cccc(Cl)c4Cl,0.0
55263,CO-ADD:0286810,0.56,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3OCC)\N2C)N(CC4)CCO4.Br,0.0
55264,CO-ADD:0286570,0.56,S1(=O)(=O)c(cccc2)c2C(N(CCO)\N=C\c(cc3)ccc3OC)=N1,0.0
55265,CO-ADD:0227365,0.56,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C/c(cc2)ccc2Cl,0.0
55266,CO-ADD:0285018,0.56,c1(C2c(cc3)ccc3[N+](=O)[O-])c(CCN2C(=O)c4cccc(Br)c4)c5c(cccc5)[nH]1,0.0
55267,CO-ADD:0288744,0.56,C(Cn1c(cnc1c2cccnc2)C)CCCCCCCCCCCCCCCC,0.0
55268,CO-ADD:0287289,0.56,C1(C(OC)=O)(C(F)(F)F)N=C(N(CC2)CCO2)Oc3c1c(C)nn3c4ccccc4,0.0
55269,CO-ADD:0287667,0.56,C(/C(=O)c1ccc(cc1)F)=C(\O)/C(OC)=O,0.0
55270,CO-ADD:0287382,0.56,N1(c2ccc(cc2)OC)C(=O)CC(N3CCC(CC3)O)C1=O,0.0
55271,CO-ADD:0287895,0.56,C(NC(CC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C#N)CCCC2,0.0
55272,CO-ADD:0287929,0.56,N(C(=O)C(CC)C(N1)=O)=C1SCC(=O)Nc2sc(c3n2)cccc3,0.0
55273,CO-ADD:0289012,0.56,c1(C(=O)Nc(cc2)ccc2C(O)=O)sc(nn1)COc(cc3)ccc3Cl,0.0
55274,CO-ADD:0294989,0.56,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc(c4OC(=O)N(C)C)OC)c4,0.0
55275,CO-ADD:0295297,0.56,N1C(=O)NNC(NNC(=O)N2)C12,0.0
55276,CO-ADD:0295300,0.56,C(=C(\CC)/NCCN(CC)CC)(/C1=O)\C(=O)NC(=O)N1,0.0
55277,CO-ADD:0295012,0.56,[n+]1([O-])onc(C)c1COc(cc2)ccc2\C=C(/C#N)\C(N)=O,0.0
55278,CO-ADD:0219020,0.56,C(=O)(Nc(cc1)c(C)cc1c(cc2)cc(c2NC(=O)c3ccccc3Br)C)c4ccccc4Br,0.0
55279,CO-ADD:0292215,0.56,c1(NC(=O)c(cc2OC)cc(c2OC)OC)sc(c3c1C(N)=O)CCC3,0.0
55280,CO-ADD:0293381,0.56,C(=O)(\C(=C(\C1)/CCCC1)\NC(c2ccccc2)=O)N3CCCC3C(O)=O,0.0
55281,CO-ADD:0221484,0.56,N(c1ccccc1)(NC(c2ccccc2)=O)C(=O)c3cccc(OC)c3,0.0
55282,CO-ADD:0293479,0.56,n1c(C)c(CCC)c(c(cccc2Br)c12)Cl,0.0
55283,CO-ADD:0294081,0.56,c1(NC(=O)C(C)Oc(cc2)ccc2CCC)sc(c3c1C(OC)=O)CCCCC3,0.0
55284,CO-ADD:0294064,0.56,N(C(=O)\C(\S1)=C\c2cc(OC)ccc2OC)=C1N3CCCCCC3,0.0
55285,CO-ADD:0222589,0.55,S(=O)(=O)(c1ccc(cc1)OCCCC)NC(=O)NCc(cc2)ccc2OC,0.0
55286,CO-ADD:0294758,0.55,C(C(c1ccccc1)=O)(C2c3ccc(cc3Cl)Cl)=C(O)C(N2CCN(C)C)=O,0.0
55287,CO-ADD:0292343,0.55,C(/C=C(O1)c2ccccc2)(=C\c3cccn3c4cccc(c4)[N+](=O)[O-])\C1=O,0.0
55288,CO-ADD:0222566,0.55,C(=O)(c1ccc(cc1)OCCCC)NCC(C)c2ccccc2,0.0
55290,CO-ADD:0293863,0.55,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(=O)NCc(cc4)ccc4C(C)(C)C,0.0
55291,CO-ADD:0296129,0.55,S(c1ccccc1)(=O)(=O)Nc(cc2)ccc2C(NCCc3ccccc3)=O,0.0
55292,CO-ADD:0292240,0.55,N1\C(=N\c2ccccc2)\C(\SC1=O)=C\c3cccc(Br)c3,0.0
55293,CO-ADD:0220440,0.55,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3cc(Br)ccc3O,0.0
55294,CO-ADD:0220818,0.55,COC1=CC=C(C=C1)NC2=NC(NC3=CC=CC=C3)=NC(N/N=C/C4=C5C(C=CC=C5)=CC6=CC=CC=C46)=N2,0.0
55295,CO-ADD:0219651,0.55,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(\C)/CC(=O)Nc2ccccc2F,0.0
55296,CO-ADD:0218922,0.55,N(c1ccccc1Br)C(CCC(=O)N\N=C\c(ccc(c2OC)OC)c2)=O,0.0
55297,CO-ADD:0221827,0.55,S(NCCSCCCCCCCCCCCCCCCCCC)(=O)(=O)c1ccc(cc1)C,0.0
55298,CO-ADD:0220055,0.55,c1(NC(CCl)=O)nnc(C)s1,0.0
55299,CO-ADD:0220247,0.55,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(CNc(cc3)ccc3C)=O,0.0
55300,CO-ADD:0293932,0.55,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5ccc(c(Cl)c5)Cl)cccc4,0.0
55301,CO-ADD:0293076,0.55,C1(C#N)(C#N)C(C)C(CCC)C(CC1(C#N)C#N)=O,0.0
55302,CO-ADD:0220061,0.55,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NC(C)c2ccccc2,0.0
55303,CO-ADD:0219334,0.55,c(cc(cc1C(=O)N\N=C/c2cccc(OC)c2)[N+](=O)[O-])(c1O)[N+](=O)[O-],0.0
55304,CO-ADD:0290597,0.55,c12c(nnc(SC(CC)C(=O)Nc3nnc(C(C)C)s3)n1)c(c4n2C)cc(cc4)Br,0.0
55305,CO-ADD:0286603,0.55,S(=O)(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)c3ccc(c(C)c3)C)c2,0.0
55306,CO-ADD:0292979,0.55,c1(cc(Br)c(c23)cccc2)c3NC(=O)CC1c4ccccc4C(F)(F)F,0.0
55307,CO-ADD:0292814,0.55,c1(cc(ccc1N2CCCC2)C(F)(F)F)[N+](=O)[O-],0.0
55308,CO-ADD:0295404,0.55,c1(O2)c(c(n[nH]1)CC)C(C(C#N)=C2N)c3ccc(cc3)F,0.0
55309,CO-ADD:0221706,0.55,N1(CNc(cc2)ccc2c3ccccc3)C(=O)\C(\SC1=S)=C\c4cccc(Br)c4,0.0
55310,CO-ADD:0299608,0.55,C(C(=O)c1ccc(cc1)C)(=C(O)C(N2Cc(cccn3)c3)=O)C2c4ccccc4[N+](=O)[O-],0.0
55311,CO-ADD:0285085,0.55,c1(N(C)C)nc(N\N=C/c2cc(I)cc(I)c2OCc3ccc(cc3Cl)Cl)nc(NCc4ccccc4)n1,0.0
55312,CO-ADD:0221761,0.55,C(=O)(c1ccc(cc1)I)NCc(cc2)ccc2OC,0.0
55313,CO-ADD:0221116,0.55,C(=O)(C(CCSC)NC(=O)C(N)Cc(cc1)ccc1O)NC(CCCNC(N)=N)C(=O)NC(Cc2ccccc2)C(O)=O,0.0
55314,CO-ADD:0285720,0.55,c1(cc(cc(SCc2ccccc2)c1C#N)[N+](=O)[O-])[N+](=O)[O-],0.0
55315,CO-ADD:0285229,0.55,C(C#N)(=C(c1ccc(cc1)Cl)N=C(N2CC)SCC)C2=O,0.0
55316,CO-ADD:0287297,0.55,C(C#N)(C(c1ccc(c2c1)OCO2)C3=C(N4c5ccccc5C)CCCC3=O)=C4N,0.0
55317,CO-ADD:0286435,0.55,[N+](=O)([O-])c1c(Cl)ccc(c1)c2ccc(\C=N\n(cnn3)c3)o2,0.0
55318,CO-ADD:0285415,0.55,c1(sc2c(ccc(C)c2)n1)NC(=O)C(Cc(c3c([nH]4)cccc3)c4)NC(=O)Oc5ccccc5,0.0
55319,CO-ADD:0285032,0.55,C1(O)(OCCN2CCO)C2=CC(=O)C(C)=C1,0.0
55320,CO-ADD:0285033,0.55,c1(C(=O)N2CCC(CC2)Cc3ccccc3)nn(cc1Br)C,0.0
55321,CO-ADD:0285801,0.55,C1(Nc(c2O1)cc(cc2C(C)(C)C)C(C)(C)C)c(cccc3[N+](=O)[O-])c3O,0.0
55322,CO-ADD:0227789,0.55,C1(C#N)(C#N)C(c2cccc(cccc3)c23)C(C4)C(C(C#N)=C1N)=CCN4C,0.0
55323,CO-ADD:0227706,0.55,c1(n2)c(ns2)cc(C)c(C)c1,0.0
55324,CO-ADD:0287178,0.55,c1(c(C)nc(c(C#N)c1c2cccs2)S)C(=O)Nc3ccc(cc3C)C,0.0
55325,CO-ADD:0231855,0.54,c1(OCC(=O)N\N=C\c(cc(Br)cc2Br)c2O)c(OC)cc(cc1Br)Br,0.0
55326,CO-ADD:0229552,0.54,C1(C(OCC)=O)=C(C)NC(NC1c2ccccc2O)=O,0.0
55327,CO-ADD:0227109,0.54,C12(c3c(NC1=O)ccc(F)c3)C4=C(CCCC4=O)OC(N)=C2C#N,0.0
55328,CO-ADD:0299444,0.54,c1(C#N)c(SCC(=O)N(CC)CC)nc(cc1C(F)(F)F)c2cccs2,0.0
55329,CO-ADD:0291315,0.54,c(c1c([nH]2)cccc1)(C3)c2CCN3C(c4ccccc4)=O,0.0
55330,CO-ADD:0231669,0.54,n1c2c(oc1c3cccc(c3)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4)ccc(C)c2,0.0
55331,CO-ADD:0291493,0.54,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(OC)=O)c1Cl,0.0
55332,CO-ADD:0291371,0.54,N1(c2ccccc2)C(=O)CC(NC(CCCOc3ccc(cc3Cl)Cl)=O)=N1,0.0
55333,CO-ADD:0288066,0.54,C(OC(C)=O)(C(=O)Nc(cc1)ccc1C)C(OC(C)=O)C(COC(C)=O)OC(C)=O,0.0
55334,CO-ADD:0291357,0.54,C(OC(C)=O)(C(=O)Nc(cc1)ccc1Cl)C(OC(C)=O)C(COC(C)=O)OC(C)=O,0.0
55335,CO-ADD:0291373,0.54,c(C(OCC)=O)(c(cc(O)c(c1)Br)c1n2Cc3ccccc3)c2CN(CC4)CCC4(c5ccccc5)C(OCC)=O,0.0
55336,CO-ADD:0289051,0.54,n1c(CCNC)noc1c(ccc2C(OC)=O)cc2.Cl,0.0
55337,CO-ADD:0288682,0.54,C(=O)(OC(C)(C)C)N(CCC1c(n(CCOC)c2C)nc2)CC1,0.0
55338,CO-ADD:0295020,0.54,c1(C2c(cc3)cc(c3OC(=O)N(CC4)CCO4)OC)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
55339,CO-ADD:0295551,0.54,c12c(CCNC1c3cc(Br)ccc3F)cc(c(OC)c2)OC,0.0
55340,CO-ADD:0294680,0.54,c12c(cccc1)cccc2OCCOc3cccc(Cl)c3,0.0
55341,CO-ADD:0219011,0.54,C(CCC(OC)=O)(=O)Oc(cc1)ccc1OC(CCC(OC)=O)=O,0.0
55342,CO-ADD:0221708,0.54,C(NCCOc(cc1)ccc1OC)(=O)Nc(cc2)ccc2Br,0.0
55343,CO-ADD:0219465,0.54,c1(c(cccc1Cl)Cl)\C=N\c(ccc(c2Cl)Cl)c2,0.0
55344,CO-ADD:0221430,0.54,S(=O)(=O)(c(cccc1C(=O)Nc2sccn2)c1)N(CC3)CCO3,0.0
55345,CO-ADD:0222316,0.54,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(ccc2c3cccn2)c3,0.0
55346,CO-ADD:0222094,0.54,N1(c2ccccc2)N=NN(CN(CC3)CCO3)C1=S,0.0
55347,CO-ADD:0222321,0.54,c(cc(Cl)cc1Cl)(\C=N\c2cccc(O)c2)c1O,0.0
55348,CO-ADD:0222757,0.54,c1(O)c(OC)cc(cc1I)\C=N\NC(COc2ccccc2C)=O,0.0
55349,CO-ADD:0222377,0.54,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c(cc2)c(OC)cc2c3ccc(c(OC)c3)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
55350,CO-ADD:0222276,0.54,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c2ccccn2,0.0
55351,CO-ADD:0219720,0.54,C(CSCc(cc1)ccc1Cl)(=O)N\N=C(\C)/C,0.0
55352,CO-ADD:0220726,0.54,N(=C(/C)\c1cccc(Br)c1)/NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
55353,CO-ADD:0222096,0.54,N1(CNc2ccccc2C(OCC)=O)C(=O)\C(\SC1=S)=C/c(cc3)ccc3C(C)C,0.0
55354,CO-ADD:0220109,0.54,C(Cl)(Cl)(Cl)C(c1ccc(cc1)OC)c2ccc(cc2)OC,0.0
55355,CO-ADD:0219847,0.54,N1(CC(CC(C)C)=O)C(=O)c(c2C1=O)cccc2,0.0
55356,CO-ADD:0220688,0.54,c1(N(CC2)CCO2)nc(N\N=C(/C)\c3ccccc3)nc(Nc(cc4)ccc4C)n1,0.0
55357,CO-ADD:0295856,0.54,c(OC(C(F)(F)F)C(F)(F)F)(nc(Nc(cc1)ccc1[N+](=O)[O-])nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
55358,CO-ADD:0292618,0.54,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3Sc(cc4)ccc4N\C=C(\C(C)=NN5c6ccc(cc6)Cl)/C5=O,0.0
55359,CO-ADD:0219416,0.54,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)Nc(ccc(c23)cccc2)c3,0.0
55360,CO-ADD:0221222,0.54,c1(C(=O)Nc(cc2)ccc2C)sc3c(c(C)cc(C)n3)c1N,0.0
55361,CO-ADD:0221194,0.54,S(=O)(=O)(c(ccc(c1C(=O)Nc2sc(c3c2C#N)CCC3)Cl)c1)N(CC4)CCO4,0.0
55362,CO-ADD:0220128,0.54,N(=C(/CC\C(\C1)=N/NC(CCCCCCC)=O)\C1)/NC(CCCCCCC)=O,0.0
55363,CO-ADD:0290657,0.54,c1(cn(nc1C(=O)Nc(c(OC)cc(c23)c4c(cccc4)o2)c3)C)[N+](=O)[O-],0.0
55364,CO-ADD:0285082,0.54,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c5c(OC)ccc(c5)[N+](=O)[O-])o4)\C1=O,0.0
55365,CO-ADD:0286098,0.54,C1(c2ccccc2F)=N\C(\C(=O)O1)=C\c3ccccc3OCCCCC,0.0
55366,CO-ADD:0290407,0.54,c1(NC(CSc2nccn2C)=O)sc3c(CCC(C(C)(C)C)C3)c1C(OC)=O,0.0
55367,CO-ADD:0285888,0.54,N1(c2ccc(cc2Br)Br)C(=O)CC(N3CCCCCC3)C1=O,0.0
55368,CO-ADD:0287987,0.53,C(C(OCCSCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c(O)c3)OC,0.0
55369,CO-ADD:0295663,0.53,C(C(C)=O)(=C(O)C(N1CCN(C)C)=O)C1c2cc(OC)ccc2OC,0.0
55370,CO-ADD:0296083,0.53,c1(nnc[nH]1)S(NCC=C)(=O)=O,0.0
55371,CO-ADD:0293713,0.53,c(I)(c1C)[nH]c(c1C=O)C,0.0
55372,CO-ADD:0221447,0.53,S(=O)(=O)(Nc(cc1)ccc1I)c2cccc3c2cccc3S(=O)(=O)Nc(cc4)ccc4I,0.0
55373,CO-ADD:0285512,0.53,c1(SCC(=O)Nc2cccc(C)c2C)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
55374,CO-ADD:0220310,0.53,c1(cc(C)c(cc1O)C)\C=N/c(cc2)ccc2c3ccc(cc3)\N=C/c4cc(C)c(cc4O)C,0.0
55375,CO-ADD:0291182,0.53,c(nc(c1ccc(c(OC)c1)OC)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)CCc4ccccn4,0.0
55376,CO-ADD:0221558,0.53,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc3sc(c(C)c3C#N)C(OCC)=O,0.0
55377,CO-ADD:0221560,0.53,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)N4CCCCC4,0.0
55378,CO-ADD:0221391,0.53,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3c4ncccn4)C1=O,0.0
55379,CO-ADD:0221545,0.53,N1(c2cc(C)ccc2C)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
55380,CO-ADD:0288028,0.53,c1(CC(C)\N=C\c(cc2)ccc2N(C)C)c[nH]c(ccc(Cl)c3)c13,0.0
55381,CO-ADD:0287629,0.53,C(C#N)(C1(CCCCC1)C(C#N)C(N2)=O)=C2SCC(=O)C3=Cc4c(OC3=O)cccc4,0.0
55382,CO-ADD:0221550,0.53,N1(c2ccccc2Cl)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
55383,CO-ADD:0221649,0.53,C(=O)(Oc1ccccc1)Nc(cc2)ccc2I,0.0
55384,CO-ADD:0290901,0.53,C1(NCC(C(O)=O)S1)c2cccc(OC)c2O,0.0
55385,CO-ADD:0291150,0.53,c1(C2c3ccc(cc3)CC)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
55386,CO-ADD:0287482,0.53,C(=O)(NC1CC1)C(=O)Nc(cc2)ccc2C(C)C,0.0
55387,CO-ADD:0288064,0.53,c1(c(ccc(c1)[N+](=O)[O-])Sc2nnc(c3cccc(Br)c3)o2)[N+](=O)[O-],0.0
55388,CO-ADD:0287519,0.53,c1(cc(ccc1N(CC2)CCN2c3ccccc3OC)C(F)(F)F)[N+](=O)[O-],0.0
55389,CO-ADD:0290969,0.53,n1(c(C)ncc1[N+](=O)[O-])S(=O)(=O)c2ccc(cc2)C,0.0
55390,CO-ADD:0286959,0.53,n1c(c(ccc(c2[N+](=O)[O-])Br)c2)[nH]c(c3ccccc3)c1c4ccc(cc4)Oc5ccccc5,0.0
55391,CO-ADD:0299251,0.53,N1(c2ccc(c(Cl)c2)C)C(=O)C(CC1=O)NCCc(cc3)ccc3Cl,0.0
55392,CO-ADD:0291517,0.53,c1(scc(c2ccc(cc2)Br)n1)NC(=O)c(cccn3)c3,0.0
55393,CO-ADD:0291871,0.53,c(C#N)(c(\C(\C#N)=C\c1ccc(C)o1)nn2c3ccccc3)c2N,0.0
55394,CO-ADD:0227414,0.53,c1(\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)cc(Br)ccc1OC,0.0
55395,CO-ADD:0291899,0.53,c1(cn(nc1C(=O)Nc2c(Cl)ccc(Cl)c2)C)[N+](=O)[O-],0.0
55396,CO-ADD:0291451,0.53,C(/c1c(N2CCCCCCC)cccc1)(\C2=O)=C(\SC(N3c4ccccc4)=S)/C3=O,0.0
55397,CO-ADD:0227422,0.53,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C/c(cc2)ccc2Br,0.0
55398,CO-ADD:0287997,0.53,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4cc(OCO5)c5cc4[N+](=O)[O-])cc(c(C)c3)C,0.0
55399,CO-ADD:0285835,0.53,n1c(SCC(=O)Nc2ccc(cc2C)C)[nH]nc1c(cccc3[N+](=O)[O-])c3,0.0
55400,CO-ADD:0287349,0.53,N1(C2c3ccc(cc3)Cl)C(S\C(=C/c(cc4)ccc4O)\C1=O)=NC(c5ccccc5)=C2C(OCC)=O,0.0
55401,CO-ADD:0287389,0.53,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(=O)N3CCCC3,0.0
55402,CO-ADD:0286360,0.53,C1(c2ccccc2)(CCN(CC1CC)C)OC(c3ccccc3)=O.Cl,0.0
55403,CO-ADD:0286889,0.53,N(C(=O)\C(\S1)=C/c2cccc(OC)c2OC)=C1N3CCCC3,0.0
55404,CO-ADD:0286858,0.53,c1(SCC(=O)c2ccc(cc2)F)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
55405,CO-ADD:0286490,0.52,N1(c2ccc(cc2)OC)C(=O)CC(N(C)CCc(ccc(c3OC)OC)c3)C1=O,0.0
55406,CO-ADD:0296137,0.52,c1(ccc(c(cccn2)c12)N(CC3)CCN3C(=O)c4ccccc4F)[N+](=O)[O-],0.0
55407,CO-ADD:0296150,0.52,c1(c[nH]nc1C(=O)Nc2ccccc2)[N+](=O)[O-],0.0
55408,CO-ADD:0292622,0.52,N1(c2cccc(Cl)c2)C(=O)\C(=C/Nc3c(O)ccc(Cl)c3)\C(NC1=O)=O,0.0
55409,CO-ADD:0295354,0.52,c1(C2c(cc3)ccc3C(OC)=O)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
55410,CO-ADD:0219028,0.52,C1(C#N)=C(C)C=C(NC1=O)COC,0.0
55411,CO-ADD:0221880,0.52,C(=O)(N\N=C\c(cc1)ccc1C(C)C)C(=O)Nc(cc2)ccc2CCCC,0.0
55412,CO-ADD:0295984,0.52,c1(N2CCCCC2)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
55413,CO-ADD:0293188,0.52,n12c(S\C(=C/c(ccc(c3OCC)OCc(cc4)ccc4F)c3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
55414,CO-ADD:0292447,0.52,c1(n2)c(C(N(C)C(=O)N1C)=O)n(c23)CC(=NN3Cc4ccccc4)c5ccc(cc5)Cl,0.0
55415,CO-ADD:0221123,0.52,c1(C(OCC)=O)c(ccc(c2OCC)Br)c2sc1N,0.0
55416,CO-ADD:0220878,0.52,C(C(=O)N(CC1)CCO1)(C2c3ccccc3)C(C2C(=O)N\N=C\c(ccc(c4OCC)O)c4)c5ccccc5,0.0
55417,CO-ADD:0220071,0.52,C(N)(=O)N\N=C\c(ccc(c12)OCO1)c2,0.0
55418,CO-ADD:0220927,0.52,C(=N/NC(COc1ccccc1OC)=O)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
55419,CO-ADD:0292338,0.52,N1(c2cccc(OC)c2)C(=O)c3c(N=C1\C=C(\c(cc(C)cc4)c4N5C)/C5=O)cccc3,0.0
55420,CO-ADD:0293355,0.52,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c(cc5OC)cc(c5O)Br)cccc4,0.0
55421,CO-ADD:0221216,0.52,c1(scc(c2ccccc2)n1)NC(=O)c(cccn3)c3,0.0
55422,CO-ADD:0293679,0.52,N1(NC(C)=O)C(C)(C)Nc(c2C1=O)cccc2,0.0
55423,CO-ADD:0220616,0.52,C(=N\NC(COc(ccc(c12)cccc1)c2)=O)(/c(cccc3C)c3N4)\C4=O,0.0
55424,CO-ADD:0292203,0.52,N12C(S\C(=C\c(ccc3c4ccc(cc4[N+](=O)[O-])Cl)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)ccc5OC,0.0
55425,CO-ADD:0293447,0.52,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccs1)Nc2sc(c3c2C(N)=O)CCCC3,0.0
55426,CO-ADD:0220692,0.52,c1(N(CC2)CCO2)nc(N\N=C(/C)\c(cc3)ccc3[N+](=O)[O-])nc(Nc(cc4)ccc4C)n1,0.0
55427,CO-ADD:0293584,0.52,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)NC4CCCCCCC4)c1C)cc(OC)cc3,0.0
55428,CO-ADD:0294935,0.52,n1(c2ccc(c(C)c2)C)nc(c3n1)ccc(NC(=O)c4ccccc4I)c3,0.0
55429,CO-ADD:0293701,0.52,C1(C(=O)Nc(c(C)ccc2[N+](=O)[O-])c2)C3C1\C=C/CCCC3,0.0
55430,CO-ADD:0294672,0.52,c1(C(O)=O)oc(c2c1n3cccc3)cccc2,0.0
55431,CO-ADD:0293534,0.52,n(c1c(n2C)ccc(c1)NCc3ccccc3OC)c2C,0.0
55432,CO-ADD:0294127,0.52,c1(NC(=O)\C(\C#N)=C/c(cc2)ccc2OCCCCC)sc(c3c1C(OCC)=O)CCCC3,0.0
55433,CO-ADD:0286645,0.52,c1(c(Cl)c2c(cccc2)s1)C(=O)n3cc(cn3)Cl,0.0
55434,CO-ADD:0293622,0.52,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC)C1c2ccc(cc2)Cl,0.0
55435,CO-ADD:0294814,0.52,n1(c(C)cc(C)n1)C(=O)c(ccc(c23)OCO2)c3,0.0
55436,CO-ADD:0294768,0.52,C(CC(C)(C)CC1=O)(Nc2ccc(cc2F)F)=C1,0.0
55437,CO-ADD:0294322,0.52,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(ccc5c6c(cccc7)c7n5CC)c6)cccc4,0.0
55438,CO-ADD:0294275,0.52,c1(c2c(cccc2Cl)Cl)noc(C)c1C(=O)Oc(cc3)ccc3C=O,0.0
55439,CO-ADD:0293537,0.52,c1(CC(O)c2ccc(cc2)OCC)n(C)c3c(cccc3)n1,0.0
55440,CO-ADD:0287783,0.52,n1c(c2ccc(cc2)C)csc1\C(\C#N)=C\c(ccs3)c3,0.0
55441,CO-ADD:0225174,0.52,c12n(C=CN(c3ccc(c(Cl)c3)OC)C1=O)c(nn2)c(cc4)ccc4[N+](=O)[O-],0.0
55442,CO-ADD:0221381,0.51,c(c(C)nn1c2ccccc2)(\C=C(\C3=O)/N=C(O3)c(ccc(c4[N+](=O)[O-])C)c4)c1Cl,0.0
55444,CO-ADD:0287888,0.51,c12c(c(c(C)s1)C)c(nc(c3ccc(c(OC)c3)OCC=C)n2)O,0.0
55445,CO-ADD:0221678,0.51,C(C#N)(C1c2ccc(cc2)N)=C(N)Oc(ccc(c3)[N+](=O)[O-])c13,0.0
55446,CO-ADD:0295693,0.51,C(F)(C(F)(F)F)(C1=O)SC(=N1)N,0.0
55447,CO-ADD:0221363,0.51,c(C(N)=O)(cc1c(n2)ccc(OC)c1)c2C,0.0
55448,CO-ADD:0221779,0.51,c1(c2ccc(cc2Cl)Cl)nnc(S)o1,0.0
55449,CO-ADD:0293682,0.51,c1(cnccn1)C(=O)OCC(=O)c(cc2)ccc2c3ccccc3,0.0
55450,CO-ADD:0221308,0.51,n1c(N)c(C#N)cc(C#N)c1SCC(=O)c2ccc(cc2)Br,0.0
55451,CO-ADD:0291615,0.51,N12C(S\C(=C\c(ccc3c4ccc(cc4Br)[N+](=O)[O-])o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)c(cc5Br)OC,0.0
55452,CO-ADD:0229147,0.51,C(OC)(=O)c1ccc(cc1)OCc(cc2)ccc2F,0.0
55453,CO-ADD:0229652,0.51,C(CCC1CCCCC1)(=O)NC2CCCCC2,0.0
55454,CO-ADD:0290880,0.51,N1(c(cccc2C(F)(F)F)c2)C(C)(C)Nc(c3C1=O)cccc3,0.0
55455,CO-ADD:0299269,0.51,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCCCc3ccccc3,0.0
55456,CO-ADD:0229894,0.51,c1(nc(c2n1CC(=O)N\N=C\c(cccc3[N+](=O)[O-])c3OC)cccc2)c4nonc4N,0.0
55457,CO-ADD:0227742,0.51,c1(nc2)n(ncc1C(OCC)=O)c(c2C(C)=O)C,0.0
55458,CO-ADD:0231711,0.51,c1(C(=O)N\N=C\c(cc2)ccc2N(CC)CC)nn(c(c3ccccc3)n1)c4ccccc4,0.0
55459,CO-ADD:0291898,0.51,C(C(=O)c1ccc(cc1)Br)(C2c3cccc(F)c3)=C(O)C(N2CCO)=O,0.0
55460,CO-ADD:0227366,0.51,n1c(c2ccc(cc2)Br)[nH]c(c3ccc(cc3)Oc(cc4)ccc4c5c(c(cc6)ccc6[N+](=O)[O-])[nH]c(c7ccc(cc7)Br)n5)c1c(cc8)ccc8[N+](=O)[O-],0.0
55461,CO-ADD:0227131,0.51,c1(C(=O)c2ccc(Br)s2)oc(c3c1NC(C)=O)ccc(Br)c3,0.0
55462,CO-ADD:0229200,0.51,c1(n[nH]nc1c(cccc2[N+](=O)[O-])c2)[N+](=O)[O-],0.0
55463,CO-ADD:0231685,0.51,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2I,0.0
55464,CO-ADD:0285252,0.51,c(C(=O)Nc1ccccc1OC)(s2)c(c3ccccc3)c(c2C(=O)Nc4ccccc4OC)c5ccccc5,0.0
55465,CO-ADD:0284971,0.51,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)Cl)C3c(cccc5[N+](=O)[O-])c5,0.0
55466,CO-ADD:0299172,0.51,c1(c2c(cccc2Cl)Cl)noc(C)c1C(=O)NC(=S)Nc3c(OC)ccc(OC)c3,0.0
55467,CO-ADD:0299180,0.51,N1(Cc(cc2)ccc2Cl)C(=O)CC(N3CCC(CC3)Cc4ccccc4)C1=O,0.0
55468,CO-ADD:0299660,0.51,C12(CCCCC1)C(=O)OC(C(C)(C)C2=O)\C=C\c3ccccc3,0.0
55469,CO-ADD:0286548,0.51,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3OCC)\N2CCC)N(CC4)CCO4.Br,0.0
55470,CO-ADD:0286629,0.51,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)F)CC(=O)N3CCCC3,0.0
55471,CO-ADD:0287634,0.51,c1(SCC(=O)Nc2ccccc2C(F)(F)F)sc3c(ccc(c3)\N=C\c(cc(I)cc4I)c4O)n1,0.0
55472,CO-ADD:0295863,0.51,c(NC(C)C(O)=O)(n1)nc(nc1OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F,0.0
55473,CO-ADD:0295681,0.51,C1(C(C)=O)=C(Nc(cc2)ccc2OC)CC(C)(O)C(C(C)=O)C1c3ccc(cc3)Cl,0.0
55474,CO-ADD:0296056,0.51,c12c(CCNC1c3ccc(cc3)OCC)cc(c(OC)c2)OC.Cl,0.0
55475,CO-ADD:0296032,0.51,N1(Nc(cc2)ccc2[N+](=O)[O-])C(=O)c(c3C1(O)Cc4ccccc4)cccc3.C(=O)O,0.0
55476,CO-ADD:0295491,0.51,c1(C(O)=O)c2c(CCCC2)nc(ccc(Br)c3)c13,0.0
55477,CO-ADD:0294569,0.51,N1(C(CCC(=O)Nc2c(C)cccc2C)=O)C(c3ccc(cc3)Br)CC(c4ccc(cc4)Br)=N1,0.0
55478,CO-ADD:0221754,0.51,C(=O)(Nc(cc1)ccc1Br)Nc2ccccc2OCCCC,0.0
55479,CO-ADD:0294942,0.51,n1(c2ccc(cc2)C)nc(c3n1)ccc(NC(=O)c(cc4OC)cc(c4OC)OC)c3,0.0
55480,CO-ADD:0292627,0.51,n1(c2c(nc1)cccc2)c3ncnc4c3c5c(s4)CCCC5,0.0
55481,CO-ADD:0221091,0.5,C(=O)(Nc(cc1)ccc1Br)C(=O)N(CC2)CCO2,0.0
55482,CO-ADD:0219013,0.5,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(C)=O,0.0
55483,CO-ADD:0226285,0.5,S(=O)(=O)(N(Cc1cccc(OC)c1)c2ccc(c(F)c2)F)c(ccc3n4c(C)nn3)c4,0.0
55484,CO-ADD:0221145,0.5,S(=O)(=O)(c1ccc(cc1)C)N(C#N)c2nc(N(C)C)nc(N(C)C)n2,0.0
55485,CO-ADD:0294963,0.5,N(\C(=C\c(cc1)cc(c1OC(c2ccccc2)=O)OCC)\C(O3)=O)=C3c4cccc(F)c4,0.0
55486,CO-ADD:0295560,0.5,c1(cn[nH]c1C(=O)Nc2ccccc2C(O)=O)[N+](=O)[O-],0.0
55487,CO-ADD:0219278,0.5,C(=O)(Nc1ccccc1C(OCC)=O)c2ccccc2F,0.0
55488,CO-ADD:0293539,0.5,c1(CC(O)c2cccc(OC)c2OC)n(C)c3c(cccc3)n1,0.0
55489,CO-ADD:0222438,0.5,c1(\C=N\NC(CNc2cccc(C)c2)=O)cc(C)ccc1O,0.0
55490,CO-ADD:0292503,0.5,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4ccc(c(F)c4)F,0.0
55491,CO-ADD:0292504,0.5,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(O)c4)OC,0.0
55492,CO-ADD:0295147,0.5,c1(SCCOc2cccc(Cl)c2)sc(c3n1)cccc3,0.0
55493,CO-ADD:0218943,0.5,N(=C(/CCC)\c1ccc(cc1)Cl)/NC(=O)c2cccc(Cl)c2,0.0
55494,CO-ADD:0292542,0.5,N1(CC=C)c2c(cccc2)NC(c3ccccc3)CC1=O,0.0
55495,CO-ADD:0222045,0.5,C(COc1ccccc1CC=C)(=O)N\N=C\c2cccc(I)c2,0.0
55496,CO-ADD:0220481,0.5,c1(cc(ccc1N(C)C)\C=N\NC(=O)c(cccn2)c2)[N+](=O)[O-],0.0
55497,CO-ADD:0294973,0.5,S1(=O)(=O)c(cccc2)c2C(Nc3cccc(c3)OC(=O)CN4C=Nc(c5C4=O)cccc5)=N1,0.0
55498,CO-ADD:0295926,0.5,c1(O2)c(c(n[nH]1)COC)C(C(C#N)=C2N)c(cc3)ccc3c4ccccc4,0.0
55499,CO-ADD:0221452,0.5,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)C(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-],0.0
55500,CO-ADD:0226340,0.5,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc(cc4)ccc4Cl,0.0
55501,CO-ADD:0225869,0.5,C1(=N2)N(C=CN=C1SCc3ccccc3)C(N2CC(=O)Nc(cc4)ccc4C(C)C)=O,0.0
55502,CO-ADD:0221125,0.5,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C\c(cccn3)c3,0.0
55503,CO-ADD:0220172,0.5,c1(Br)c(O)c(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c(c(Br)c1O)C,0.0
55504,CO-ADD:0221415,0.5,c12c(CCCC1=O)nc(c3c2NCCCCCCC)cccc3.Cl,0.0
55505,CO-ADD:0295053,0.5,C1(C)=CC(=O)Oc(cc(OC(c2ccccc2)=O)cc3OC(c4ccccc4)=O)c13,0.0
55506,CO-ADD:0292400,0.5,C1(C(OCC)=O)=C(C)NC(NC1c(ccc2c3cccc(Cl)c3C)o2)=O,0.0
55507,CO-ADD:0292485,0.5,N(CC1C)(CC(O1)C)C(=O)c2ccccc2C(=O)c3[nH]ccn3,0.0
55508,CO-ADD:0221535,0.5,c1(cc(ccc1C(=O)OCc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
55509,CO-ADD:0291759,0.5,C12(CC3CC(CC(C3)C1)C2)C(=O)O\N=C(/N)\Cc(ccc(c4OC)OC)c4,0.0
55510,CO-ADD:0291792,0.5,C(=C/c(ccc1c(cccc2C(O)=O)c2)o1)(/C(=O)NC(N3)=O)\C3=O,0.0
55511,CO-ADD:0291252,0.5,C(/NC(=O)c(ccs1)c1)(=C\c2ccco2)\C(=O)Nc3cccc(C)c3,0.0
55512,CO-ADD:0229439,0.5,c(cc(I)cc1I)(\C=N\c2cccc(OC)c2)c1O,0.0
55513,CO-ADD:0227953,0.5,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2OC(=O)\C=C\c3ccco3,0.0
55514,CO-ADD:0227824,0.5,C(CN1CN2CN3C1)(C2)(C3)C(=O)c4ccc(cc4)Br,0.0
55515,CO-ADD:0229536,0.5,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3[N+](=O)[O-])[N+](=O)[O-])c3,0.0
55516,CO-ADD:0291292,0.49,C12(C(OC)=O)C(C(C(=O)N1c(cccc3C(F)(F)F)c3)=O)=C(c4ccccc4)Nc(cccc5)c5N2,0.0
55517,CO-ADD:0231712,0.49,c1(OCC(=O)N\N=C\c(cc(OCO2)c2c3)c3Cl)c(OC)cc(cc1Br)Br,0.0
55518,CO-ADD:0227407,0.49,C(COc1cccc(C)c1)(=O)N\N=C\c2cccc(O)c2,0.0
55519,CO-ADD:0227692,0.49,C12=C(CC(C)(C)CC1=O)C(Nc(ccc(cccc3)c34)c24)c5ccc(c(cccc6[N+](=O)[O-])c6)o5,0.0
55520,CO-ADD:0229594,0.49,n1c2c(CCCC2)cc(C#N)c1SCC(c3ccccc3)=O,0.0
55521,CO-ADD:0229694,0.49,C(CNc1cccc(Br)c1)(=O)N\N=C\c2cccs2,0.0
55522,CO-ADD:0285439,0.49,c(C(=O)Nc1c(Cl)ccc(Cl)c1)(n(C)nc2C(=O)Nc3c(Cl)ccc(Cl)c3)c2,0.0
55523,CO-ADD:0299159,0.49,n1(C)cnnc1SCC(=O)Nc(c(OC)cc(c23)c4c(cccc4)o2)c3,0.0
55524,CO-ADD:0285498,0.49,C(c1ccccc1)(N2C(=C3C#N)N)(N(CC2)C(=C4C#N)N)C34c5ccccc5,0.0
55525,CO-ADD:0290567,0.49,c1(ccc(c2c1O)cccc2)C3SCc4c(cc(c(C)c4)C)CS3,0.0
55526,CO-ADD:0299666,0.49,c1(c2N)c(c(cc2C(NCCCC)=O)NCCCC)C(c(cccc3)c3C1=O)=O,0.0
55527,CO-ADD:0292100,0.49,n1c2c(oc1c(ccc(c3NC(=O)c4cc(c5o4)cccc5)C)c3)cccn2,0.0
55528,CO-ADD:0295526,0.49,S1(=O)c2c(C(=O)N1c3ccccc3)ccc(c2)[N+](=O)[O-],0.0
55529,CO-ADD:0295743,0.49,c1(sc(cc1C(OCC)=O)CC)NC(=O)c(ccc(c2[N+](=O)[O-])N(CC3)CCO3)c2,0.0
55530,CO-ADD:0295224,0.49,n1(c2ccc(cc2)F)nnnc1SCC(NCCc3ccccc3)=O,0.0
55531,CO-ADD:0292607,0.49,N1(c2cccc(Cl)c2)C(=O)\C(=C/Nc3ccccn3)\C(NC1=O)=O,0.0
55532,CO-ADD:0294498,0.49,C(C(c1ccccc1)=O)(C2c3ccc(cc3)C)=C(O)C(N2Cc(cccn4)c4)=O,0.0
55533,CO-ADD:0226333,0.49,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(=O)NC4CCCC4,0.0
55534,CO-ADD:0226341,0.49,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)NC4CCCCC4,0.0
55535,CO-ADD:0226224,0.49,S(=O)(=O)(N(Cc1cccc(OC)c1)c2ccc(cc2)OC)c(ccc3n4c(C)nn3)c4,0.0
55536,CO-ADD:0293545,0.49,c1(C(O)c2cccc(OC)c2)n(C(C)C)c3c(cccc3)n1,0.0
55537,CO-ADD:0222216,0.49,c(cc(Cl)cc1Cl)(\C=N\c2cc(CC)ccc2O)c1O,0.0
55538,CO-ADD:0219846,0.49,C(=C\c(cc1)ccc1Cl)/C(=O)c2ccc(cc2)I,0.0
55539,CO-ADD:0220031,0.49,N(\C(=C/C=C/c1ccccc1)\C(O2)=O)=C2c3ccccc3,0.0
55540,CO-ADD:0292269,0.49,c12c(non1)nc(Nc(cc3)ccc3Cl)c(Nc4cccc(C)c4C)n2,0.0
55541,CO-ADD:0220231,0.49,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNc2ccc(cc2Br)Cl)=O,0.0
55542,CO-ADD:0295692,0.49,c1(cc(ccc1N(CC2)CCN2Cc3ccccc3)C(=O)Nc(cc4)ccc4Cl)[N+](=O)[O-],0.0
55543,CO-ADD:0296119,0.49,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c(cc3)c4c(c3[N+](=O)[O-])cccn4,0.0
55544,CO-ADD:0222080,0.49,C(=O)(NCc1ccco1)C(=O)NCC(CCCC)CC,0.0
55545,CO-ADD:0219620,0.49,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc(cccc2C(F)(F)F)c2,0.0
55546,CO-ADD:0293680,0.49,c12c(NC3(CCC(CC3)C)NC1=S)sc(CC(C)CC4)c24,0.0
55547,CO-ADD:0222050,0.48,c1(N(C(C)=O)C(C)=O)c(c2ccccc2)c(nn1Cc(cc3)ccc3Cl)C,0.0
55548,CO-ADD:0222461,0.48,c(cc(I)cc1I)(\C=N\c2cccc(Cl)c2Cl)c1O,0.0
55549,CO-ADD:0295218,0.48,n1(c2ccccc2C)c3c(cn1)ccc(c3)[N+](=O)[O-],0.0
55550,CO-ADD:0294069,0.48,C(=C/C(c1ccccc1)=O)(/Nc(cc2)c(O3)cc2[N+](=O)[O-])\C3=O,0.0
55551,CO-ADD:0293631,0.48,C(C#N)(C(CC(N1)=O)c2ccc(c(OCC)c2)O)=C1SCC(=O)Nc3cccc(Cl)c3C,0.0
55552,CO-ADD:0293452,0.48,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccc(Cl)c1)Nc2sc(c3c2C(N)=O)CCCC3,0.0
55553,CO-ADD:0295076,0.48,C(=N/Nc1ccccc1)(/C2=O)\N(c(cc3)ccc3[N+](=O)[O-])C(=N2)C,0.0
55554,CO-ADD:0295502,0.48,C(=O)(N(c1ccccc1)NC(c2ccccc2)=O)c(cccc3[N+](=O)[O-])c3Br,0.0
55555,CO-ADD:0221101,0.48,c1(c(C)n[nH]c1O)C(C(C#N)C#N)c2ccccc2[N+](=O)[O-],0.0
55556,CO-ADD:0286975,0.48,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CSc3nc(CCCC)ccc3C#N,0.0
55557,CO-ADD:0286801,0.48,N1(c2c(Cl)cc(cc2Cl)Cl)C(=O)\C(\C(NC(=O)c(cccc3N4C(=O)c(c5C4=O)cccc5)c3)=N1)=C/c(cc6)ccc6N(C)C,0.0
55558,CO-ADD:0299945,0.48,C(C#N)(C(c1ccccc1)CC(N2)=O)=C2SCC(=O)Nc(ccc(c3Cl)Cl)c3,0.0
55559,CO-ADD:0219074,0.48,C(=O)(N\N=C\c(cc1)ccc1O)c2ccc(cc2)OCCCCCCCCCC,0.0
55560,CO-ADD:0219384,0.48,N(=C(/C)\c1ccc(cc1)OCc(cc2)ccc2Cl)/NC(Cc3ccccc3)=O,0.0
55561,CO-ADD:0221420,0.48,N(=C(\C)/c1cccc(N)c1)/NC(COc2ccccc2)=O,0.0
55562,CO-ADD:0221471,0.48,N1(CNc2ccccc2I)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
55563,CO-ADD:0291992,0.48,c1(C(F)(F)F)nc(sc1c2ccc(cc2)F)Nc3cccc(Cl)c3,0.0
55564,CO-ADD:0291745,0.48,N1(Cc(cccc2)c2CC1C(=O)NC3CCCCCC3)C(=O)OCc4ccccc4,0.0
55565,CO-ADD:0285221,0.48,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3Oc4ccccc4)\N2C)N5CCCC5.Br,0.0
55566,CO-ADD:0292067,0.48,c1(C#N)c(N)[nH]nc1\C(\C#N)=C\c(ccc2c(cccc3[N+](=O)[O-])c3)o2,0.0
55567,CO-ADD:0290549,0.48,C1(C2c3ccc(cc3)OCC(=O)Nc(ccc(c45)OCO4)c5)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC6=O)=C26,0.0
55568,CO-ADD:0285225,0.48,c1(C2=O)c(sc3c1CCC(C3)C(C)(C)C)N=C(SCC(=O)NCc4ccccc4)N2c5ccccc5,0.0
55569,CO-ADD:0229150,0.48,C(=O)(N\N=C\c1ccccc1)c2ccc(cc2)OCc3ccccc3Br,0.0
55570,CO-ADD:0299472,0.48,[N+](=O)([O-])c1c(Cl)ccc(c1)NNC(CC)=O,0.0
55571,CO-ADD:0229159,0.48,C(=O)(CN(CC1)CCN1CC(=O)Nc(cc2)ccc2C(OC)=O)Nc(cc3)ccc3C(OC)=O,0.0
55572,CO-ADD:0231811,0.48,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2ccc(cc2O)OC,0.0
55573,CO-ADD:0227775,0.48,C(=N/c(cc1)ccc1C(C)=O)(/c2c3cccc2)\c4c(O3)cccc4,0.0
55574,CO-ADD:0227475,0.48,c1(Br)c(O)c(\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C\c3cccs3)c(c(Br)c1O)C,0.0
55575,CO-ADD:0229216,0.48,C(=N\NC(COc(cc1)ccc1Cl)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
55576,CO-ADD:0292178,0.48,c1(cc(c2o1)cccc2)C(=O)Nc3sccn3,0.0
55577,CO-ADD:0291531,0.48,c(Sc1nnc(C)s1)(n2)nc(nc2Nc3ccccc3C)Nc4ccccc4C,0.0
55578,CO-ADD:0291571,0.48,n1c(c2ccc(cc2)C)csc1\C(\C#N)=C/c(cc3)ccc3Cl,0.0
55579,CO-ADD:0227416,0.48,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc(cc2)c(Br)cc2[N+](=O)[O-])=O)O,0.0
55580,CO-ADD:0231721,0.48,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2Br)\C=N\NC(COc3c(OC)cc(cc3Br)Br)=O,0.0
55581,CO-ADD:0292172,0.48,C(=S)(N(CC1)CCN1C)NC(c2ccccc2)=O,0.0
55582,CO-ADD:0285268,0.48,c1(NC(CCl)=O)sc(c(CCN2C(OCC)=O)c1C(OCC)=O)C2,0.0
55583,CO-ADD:0284988,0.48,N1(c(cc2)ccc2N3C(=O)CSC3c4cccc(Br)c4)C(=O)CSC1c5cccc(Br)c5,0.0
55584,CO-ADD:0285292,0.48,C1(C2)(CC(CC=C1OC)(CN2CCO)[N+](=O)[O-])[N+](=O)[O-],0.0
55585,CO-ADD:0285460,0.48,C1(C)(C(OCC)=O)C\C(\C(=O)N1c2ccccc2)=N/NC(c3ccccc3)=O,0.0
55586,CO-ADD:0299165,0.48,c1(SCC(=O)N(c2c3cccc2)c4c(S3)cccc4)n(C)c5c(cccc5)n1,0.0
55587,CO-ADD:0299645,0.48,n1c2c(cccc2)ncc1c3cccc(c3)Oc(ccc(c4C#N)C#N)c4,0.0
55588,CO-ADD:0286706,0.48,N1(c2ccc(cc2)Br)C(=O)C(SC1c3ccc(cc3)OC)C,0.0
55589,CO-ADD:0299285,0.48,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(CC1=O)NCCc3ccccc3F,0.0
55590,CO-ADD:0295308,0.48,N1(c2ccc(cc2)C)C(=O)\C(=C\Nc(cc3)ccc3C)\C(NC1=O)=O,0.0
55591,CO-ADD:0294938,0.47,C1(c2ccc(cc2C)NC(=O)c(ccc(c3[N+](=O)[O-])C)c3)=Cc4c(OC1=O)cccc4,0.0
55592,CO-ADD:0293018,0.47,c1(c2c(sc1NC(=O)C(F)(F)Br)CCCC2)C(=O)OC(C)C,0.0
55593,CO-ADD:0292427,0.47,c1(nnc(c23)cc(c(OC)c2)OC)c3c(nn1c4ccccc4)C,0.0
55594,CO-ADD:0225195,0.47,c12n(C=CN(Cc(cc3)ccc3F)C1=O)c(nn2)SCC(=O)NC(C)C,0.0
55595,CO-ADD:0293413,0.47,n1(c(cc(C)c(c2Br)C)c2n3)c3S\C(=C\c4cccs4)\C1=O,0.0
55596,CO-ADD:0226220,0.47,S(=O)(=O)(N(Cc(cc1)ccc1Cl)c2ccc(cc2)OC)c(ccc(n3c4)nn4)c3,0.0
55597,CO-ADD:0293254,0.47,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4\C(=N\c5c(C)ccc(Cl)c5)\C1=O,0.0
55598,CO-ADD:0220470,0.47,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C\C(C2)C(C)CC(CC\C=C(/C)\C)=C2,0.0
55599,CO-ADD:0219697,0.47,C(=O)(Nc1ccccc1C(=O)N\N=C\c(cc2)ccc2Cl)c3ccccc3Br,0.0
55600,CO-ADD:0296038,0.47,N1(CC(=O)c2ccc(cc2)C)c3c(N(CC)C1=N)cccc3.Br,0.0
55601,CO-ADD:0222194,0.47,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)c4ccccc4Cl,0.0
55602,CO-ADD:0295643,0.47,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(ccc3c(cc4)ccc4C(O)=O)o3)\C1=O)=O,0.0
55603,CO-ADD:0293472,0.47,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N3CCCCC3,0.0
55604,CO-ADD:0222762,0.47,s1c(N)nnc1CC(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
55605,CO-ADD:0220383,0.47,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc(cc2)ccc2Cl,0.0
55606,CO-ADD:0295039,0.47,c(c1c(s2)CCCC1)(C3=O)c2N=C(N\N=C\c4ccccc4)N3c5ccc(cc5)OC,0.0
55607,CO-ADD:0293305,0.47,c(sc(n1)C)(c1C)c2csc(Nc(cccc3C(O)=O)c3)n2.Cl,0.0
55608,CO-ADD:0220389,0.47,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(OCCCCCCCCCC)=O,0.0
55609,CO-ADD:0222853,0.47,C(c1ccccc1)(=O)N(C)CC(=O)N\N=C\c(cc2)ccc2OC,0.0
55610,CO-ADD:0220197,0.47,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c3cc(C)ccc3O)[N+](=O)[O-],0.0
55611,CO-ADD:0294325,0.47,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(cc4)OC(F)(F)F)cc(c(C)c3)C,0.0
55612,CO-ADD:0295489,0.47,C(=C\c(cc1)ccc1OC)(/C(C2)C(C3(C2)C)(C)C)\C3=O,0.0
55613,CO-ADD:0222203,0.47,c1(c2ccc(c3c2)cccc3)oc4c(ccc(c4)\N=C\c(cc(OCO5)c5c6)c6Br)n1,0.0
55614,CO-ADD:0286834,0.47,C1(c2cccc(OC)c2)(c3cccc(OC)c3)CC1C(=O)Nc(cc4)ccc4Br,0.0
55615,CO-ADD:0221760,0.47,C(NCCOCCCCCCCC)(=O)Nc(cc1)ccc1Br,0.0
55616,CO-ADD:0221100,0.47,c1(C#N)c(C)cc(nc1SCC(OCC)=O)C,0.0
55617,CO-ADD:0221853,0.47,C1(C#N)=C(C)C(C)=C(NC1=S)C,0.0
55618,CO-ADD:0288672,0.47,C(=O)(OC(C)(C)C)N(CCCC1c(n(Cc2ccco2)c(c3)C)n3)C1,0.0
55619,CO-ADD:0292520,0.47,N(CCC(N1CCCC)=O)(C(C)=O)c2c1cccc2,0.0
55620,CO-ADD:0295128,0.47,N1(C(=O)c2c(C(c3ccc(c(C)c3)C)=N1)cccc2)c4cc(ccc4N(CC5)CCN5CCO)[N+](=O)[O-],0.0
55621,CO-ADD:0291734,0.47,c12c(n(c(SCCCCCCCCCCCC)n1)C\C=C\C)C(NC(=O)N2C)=O,0.0
55622,CO-ADD:0290439,0.47,c1(c2c(sc1NC(COc3ccccc3)=O)CCC2)C(=O)Nc4cccc(cccc5)c45,0.0
55623,CO-ADD:0299441,0.47,c1(C#N)c(SCC(=O)Nc2scc(c3ccccc3)n2)nc(cc1C(F)(F)F)c4cccs4,0.0
55624,CO-ADD:0227985,0.47,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
55626,CO-ADD:0287477,0.47,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3OCC)cc(c3OC)Br,0.0
55627,CO-ADD:0229320,0.47,c12c(c3c(cccc3)[nH]1)nnc(SCC)n2,0.0
55628,CO-ADD:0231727,0.47,c1(OCC(=O)N\N=C\c(cc2OC)cc(c2OC)OC)c(OC)cc(cc1Br)Br,0.0
55629,CO-ADD:0227089,0.47,C12(c3c(NC1=O)ccc(Cl)c3)C4=C(CC(C)(C)CC4=O)OC(N)=C2C#N,0.0
55630,CO-ADD:0227845,0.47,[N+](=O)([O-])c1c(NCCCNC(=O)c2cc(F)c(cc2Cl)F)ccc(Cl)c1,0.0
55631,CO-ADD:0299347,0.47,c1(n(CCCCCCCC)c2c(cccc2)n1)c3nonc3N,0.0
55632,CO-ADD:0227830,0.47,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3N(C)C)=N1,0.0
55633,CO-ADD:0229231,0.46,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(O)C(N2CCN(CC)CC)=O,0.0
55634,CO-ADD:0291715,0.46,n1(c2ccc(c(C)c2)C)nc(c3n1)ccc(NC(=O)c(ccc4c5cc(Cl)ccc5Cl)o4)c3,0.0
55635,CO-ADD:0299368,0.46,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c3cc(Cl)cc(Cl)c3)o2)=O,0.0
55636,CO-ADD:0285636,0.46,C1(=O)NC=C(C=N1)[N+](C)(C)C,0.0
55637,CO-ADD:0287378,0.46,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5ccc(cc5OC)OC)C6=C2CCCC6=O)C#N,0.0
55638,CO-ADD:0287235,0.46,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3OC(Cl)(F)F)\N2CCc(ccc(c4OC)OC)c4)N5CCCCC5.Br,0.0
55639,CO-ADD:0286516,0.46,N1(N)C(=O)c2c(N=C1SCC(=O)c3ccc(cc3)Cl)cccc2,0.0
55640,CO-ADD:0299725,0.46,[N+](=O)([O-])c1ccc(c2c1cccn2)NCCOc(cc3)ccc3Cl,0.0
55641,CO-ADD:0292975,0.46,n1(C)cnnc1SCC(=O)Nc2ccc(cn2)Br,0.0
55642,CO-ADD:0293568,0.46,c12c(ccc3c1OC(=O)C=C3C)occ2Nc(ccc(c4Cl)Cl)c4,0.0
55643,CO-ADD:0292778,0.46,c1(n(CC#N)c2c(cccc2)n1)c3nonc3N,0.0
55644,CO-ADD:0292691,0.46,[N+](=O)([O-])c1ccc(cc1NC(CCl)=O)N(CC2)CCN2C(C)=O,0.0
55645,CO-ADD:0222351,0.46,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3Cl)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
55646,CO-ADD:0222560,0.46,c1(\C=N\NC(CCCC(=O)Nc2ccccc2Br)=O)c(O)ccc(cccc3)c13,0.0
55647,CO-ADD:0294465,0.46,N1(c2ccc(cc2)OC(Cl)(F)F)C(=O)C(CC1=O)S\C(=N/C)\Nc(cc3)ccc3C(OC)=O,0.0
55648,CO-ADD:0293299,0.46,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c5ccc(cc5)C,0.0
55649,CO-ADD:0293291,0.46,C12=C(CCCC1=O)c3c(ccc4c3cccn4)NC2c5ccc(cc5OC)OC,0.0
55650,CO-ADD:0222283,0.46,c1(ccccc1Br)C(=O)NCC(=O)N\N=C(\c2ccccc2)/CC(C)C,0.0
55651,CO-ADD:0295503,0.46,c1(cc(ccc1N2CCCCC2)[N+](=O)[O-])C(=O)Nc3ccccc3OCC,0.0
55652,CO-ADD:0292625,0.46,N1(c2ccccc2OC)C(=O)c3c(c4C1=O)c(ccc3)cc(Br)c4,0.0
55653,CO-ADD:0222702,0.46,N#CCC(=O)Nc(cccn1)c1,0.0
55654,CO-ADD:0295376,0.46,n12c(cc(c3ccc(cc3)Br)n1)nc(C(OCC)=O)cc2c4ccccc4,0.0
55655,CO-ADD:0220271,0.46,c1(cc(C)cc(I)c1O)\C=N\c2ccccc2O,0.0
55656,CO-ADD:0294344,0.46,c1(C2c(cc3)ccc3C(F)(F)F)c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
55657,CO-ADD:0219130,0.46,C(=O)(N\N=C\c1ccccc1I)C(=O)Nc2cccc(F)c2,0.0
55658,CO-ADD:0222384,0.46,n1c2c(oc1c3cccc(c3)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4)ccc(C)c2,0.0
55659,CO-ADD:0222404,0.46,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(cccn2)c2)c3cccc(F)c3,0.0
55660,CO-ADD:0220540,0.46,C(CNc1cccc(C)c1)(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
55661,CO-ADD:0220350,0.46,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(CNc(cc3)ccc3C)=O,0.0
55662,CO-ADD:0218901,0.46,N(=C(/C)\c1ccc(cc1)Cl)/NC(=O)c2ccc(cc2)Cl,0.0
55663,CO-ADD:0220509,0.46,C(=C/c1ccccc1O)(/NC(c2ccccc2)=O)\C(=O)N\N=C/c3cccc(cccc4)c34,0.0
55664,CO-ADD:0295309,0.46,N1(c2ccc(cc2)C)C(=O)\C(=C\Nc3ccccc3OC)\C(NC1=O)=O,0.0
55665,CO-ADD:0294020,0.46,C(=O)(Oc(cc1)ccc1C=O)\C=C\c2ccccc2,0.0
55666,CO-ADD:0292662,0.46,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc4sc(c(C)c4C(OCC)=O)C(OCC)=O)n2,0.0
55667,CO-ADD:0294088,0.46,c1(NC(CSc2nccn2C)=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
55668,CO-ADD:0220206,0.46,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c3ccc(cc3O)C)[N+](=O)[O-],0.0
55669,CO-ADD:0220238,0.46,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc(cc2)ccc2Cl)=O,0.0
55670,CO-ADD:0222642,0.45,c1(OC(=O)\C=C\c(cc2)ccc2Br)c(Br)cc(cc1Br)C=O,0.0
55671,CO-ADD:0294823,0.45,c1(cc(Cl)ccc1N(CC2)CCN2C(=O)c3cccc(Br)c3)[N+](=O)[O-],0.0
55672,CO-ADD:0293629,0.45,C(C#N)(C(c(cc1)ccc1[N+](=O)[O-])CC(N2)=O)=C2SCC(=O)Nc(ccc(c3Cl)C)c3,0.0
55673,CO-ADD:0292763,0.45,c12c(c(nn1c3ccccc3)C)cc(C(=O)Nc4c(C)cccc4C)s2,0.0
55674,CO-ADD:0295449,0.45,C(C(OC)=O)(C(c(ccc1[N+](=O)[O-])s1)N2)=C(C)N(C2=O)C,0.0
55675,CO-ADD:0293657,0.45,[N+]1(CCCCC1)(C)CC[N+]2(CCCCC2)C.[I-].[I-],0.0
55676,CO-ADD:0293480,0.45,n1c(C)c(CC)c(c(cccc2Br)c12)Cl,0.0
55677,CO-ADD:0294705,0.45,C(OC)(=O)c1ccc(cc1)\C=N\c(ccc2c3cccn2)c3,0.0
55678,CO-ADD:0285319,0.45,c1(C(c2ccc(cc2)Cl)N(C)Cc3ccccc3)nnnn1c4c(C)cccc4C,0.0
55679,CO-ADD:0286914,0.45,C1(NC(CSc(nnc(c23)c4c(cccc4)n2CC=C)n3)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
55680,CO-ADD:0286639,0.45,C(=O)(N\N=C\c1cccs1)c2cccs2,0.0
55681,CO-ADD:0286968,0.45,c12c(ccc(cccc3)c13)C(CC(=O)N2)c4ccco4,0.0
55682,CO-ADD:0288976,0.45,S1(=O)(=O)c2c(ccc(F)c2)Oc(cc3[N+](=O)[O-])c(nc3)N1CC,0.0
55683,CO-ADD:0292087,0.45,S(=O)(=O)(c1ccc(cc1)N=NN(C)C)NC(CCCCCCCCC)=O,0.0
55684,CO-ADD:0292528,0.45,N1(Cc2ccccc2)c3c(cccc3)N(CC(C)C1=O)C=O,0.0
55685,CO-ADD:0295607,0.45,C(C(C)=O)(C1c2ccc(cc2)C)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
55686,CO-ADD:0290380,0.45,C(c1ccccc1)(CC2)(CCN2Cc(cccc3C(O)=O)c3)C(OCC)=O.Cl,0.0
55687,CO-ADD:0291428,0.45,c(cc1C(N2CC=C)=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S)c(cc1Cl)Cl,0.0
55688,CO-ADD:0290742,0.45,S(=O)(=O)(NCc1ccco1)c2c(OC)ccc(Cl)c2,0.0
55689,CO-ADD:0291934,0.45,c1(n[nH]cn1)C(=O)Nc(cc2)ccc2Br,0.0
55690,CO-ADD:0287743,0.45,N(\C(=C\c1ccccc1OC(=O)c2ccc(cc2)Br)\C(O3)=O)=C3c4ccc(cc4)Cl,0.0
55691,CO-ADD:0287568,0.45,c1(SCc(c(C)c2)cc(c2CSc3oc(c4n3)cccc4)C)oc(c5n1)cccc5,0.0
55692,CO-ADD:0287510,0.45,c12c(ncnc1N3CCCCC3)c4c(cccc4)[nH]2,0.0
55693,CO-ADD:0287835,0.45,N1(c(cc2Cl)cc(c2N)Cl)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
55694,CO-ADD:0291828,0.45,c1(cnc(NC(COc2ccccc2Cl)=O)s1)S(=O)(=O)c(cc3)ccc3[N+](=O)[O-],0.0
55695,CO-ADD:0291588,0.45,C(C#N)(C(CC(N1)=O)c2ccc(c(OC)c2)OC)=C1SC,0.0
55696,CO-ADD:0231245,0.45,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c12)cccc1)c2)C(=O)Nc(cc3)ccc3CC,0.0
55697,CO-ADD:0231295,0.45,N1(c2cccc(c2)C(=O)Nc(cccc3C#C)c3)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc(cccc5C#C)c5,0.0
55698,CO-ADD:0231771,0.45,c1(oc(c2n1)ccc(c2)\N=C\C=C\c3ccccc3)c4cccc(Cl)c4Cl,0.0
55699,CO-ADD:0231681,0.45,c1(C(=O)N\N=C\c(cc(Br)c(c2O)O)c2O)nn(c(c3ccccc3)n1)c4ccccc4,0.0
55700,CO-ADD:0229688,0.45,c1(NCC(=O)N\N=C(/C)\C)c(Br)cc(cc1Br)Br,0.0
55701,CO-ADD:0227299,0.45,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3Br,0.0
55702,CO-ADD:0227978,0.44,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccc(cc2OC)Br)=O)OC)c1,0.0
55703,CO-ADD:0229411,0.44,c(C(=O)Nc1ccccc1C(F)(F)F)(c(N)c(c23)cc(c(N)n2)C#N)s3,0.0
55704,CO-ADD:0287251,0.44,N1(CC(CC2CN3C(=S)NC(=O)c4ccc(cc4)Br)C3)C2=CC=CC1=O,0.0
55705,CO-ADD:0287611,0.44,[n+]([O-])(c(N)c([N+](=O)[O-])c([n+]1[O-])N)c1N,0.0
55706,CO-ADD:0299781,0.44,N1(c2ccccc2C)C(=O)NC(\C(=C/c3cccn3C)\C1=O)=O,0.0
55707,CO-ADD:0294639,0.44,N1(c(cccc2C(F)(F)F)c2)C(C)=Nc(c3C1=O)ccc(I)c3,0.0
55708,CO-ADD:0295680,0.44,C1(C(C)=O)=C(Nc(cc2)ccc2OC)CC(C)(O)C(C(C)=O)C1c(cc3)ccc3N(C)C,0.0
55709,CO-ADD:0292913,0.44,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c5c4C(OCC)=O)CCCC5)c1Cl,0.0
55710,CO-ADD:0219187,0.44,N1C(CSC1=S)=O,0.0
55711,CO-ADD:0296029,0.44,c1(c2c([nH]c1O)cccc2)N=NC(=O)C(O)(c3ccccc3)c4ccccc4,0.0
55712,CO-ADD:0296002,0.44,[nH]1c2c(nc1SCc(cc(OCO3)c3c4)c4Cl)cccn2,0.0
55713,CO-ADD:0295911,0.44,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c(cc3)ccn3,0.0
55714,CO-ADD:0220694,0.44,c1(N(CC2)CCO2)nc(N\N=C\c3cccc(I)c3)nc(Nc(cc4)ccc4C)n1,0.0
55715,CO-ADD:0220704,0.44,c1(N(CC2)CCO2)nc(N\N=C\C(\Br)=C\c3ccccc3)nc(Nc(cc4)ccc4C)n1,0.0
55716,CO-ADD:0219779,0.44,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C\c(ccc(c3OCC)OCCC)c3,0.0
55717,CO-ADD:0219669,0.44,c1(c(Cl)ccc(Cl)c1)NC(CCC(=O)N\N=C\c2ccccc2I)=O,0.0
55718,CO-ADD:0293264,0.44,N1(c(ccc(c2C(O)=O)Cl)c2)C(=O)C(C(C1=O)C34CC)C(c(c35)cccc5)c(c46)cccc6,0.0
55719,CO-ADD:0294904,0.44,c1(C2c3ccc(cc3)Cl)c([nH]nc1c(cc4)ccc4[N+](=O)[O-])OC(N)=C2C#N,0.0
55720,CO-ADD:0293881,0.44,N1(c2ccc(cc2)OCc3c(cccc3F)Cl)CC(CC1=O)C(=O)OCc4c(cccc4Cl)F,0.0
55721,CO-ADD:0218945,0.44,N(=C\c(cc1)ccc1OC)/NC(CCC(=O)NCc2ccccc2)=O,0.0
55722,CO-ADD:0220479,0.44,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(cccn2)c2)N(CC)CC)c1,0.0
55723,CO-ADD:0294699,0.44,N1C(c(cc2OC)cc(c2OCc3ccccc3)Br)SCC1C(O)=O,0.0
55724,CO-ADD:0293717,0.44,n1c(c2ccc(cc2)Cl)csc1Nc(cc3)ccc3N,0.0
55725,CO-ADD:0221012,0.44,n1c2c([nH]c1c3ccc(cc3)\N=C\c4ccc(cc4O)O)ccc(N)c2,0.0
55726,CO-ADD:0294103,0.44,c1(sccn1)NC(CSCCO)=O,0.0
55727,CO-ADD:0220431,0.44,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(ccc(c3O)O)c3,0.0
55728,CO-ADD:0221916,0.44,N1(NC(=O)c(cccc2[N+](=O)[O-])c2)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
55729,CO-ADD:0226074,0.44,C1(=N2)N(C=CN=C1N(C)CCC)C(N2CC(=O)Nc(ccc(c3Cl)OC)c3)=O,0.0
55730,CO-ADD:0294306,0.44,N1(C)C(=O)CC(N(CC2)CCC2(C(N)=O)N3CCCCC3)C1=O,0.0
55731,CO-ADD:0294082,0.44,c(C(=O)OCC(=O)Nc1sc(c2c1C(OC)=O)CCC2)(c(c3ccccc3)nn4c5ccccc5)c4C,0.0
55732,CO-ADD:0293489,0.44,c1(C(=O)Nc2ccccc2C)c3c(sc1NC(Cc4ccccc4)=O)CC(C)CC3,0.0
55733,CO-ADD:0293497,0.44,c1(c(cccc2C)c23)c(CC(CBr)O1)c(n3)C,0.0
55734,CO-ADD:0293708,0.44,N1(c2ccc(cc2)OC(F)(Cl)F)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
55735,CO-ADD:0294305,0.44,[N+](=O)([O-])c1c(NCCNC(=S)Nc(cc2)ccc2Cl)ccc(c1)C(F)(F)F,0.0
55736,CO-ADD:0295215,0.44,N1(C2)C(SCC1=O)=NCN2c3ccc(c4c3)OCO4,0.0
55737,CO-ADD:0295189,0.43,c1(c2ccccc2)nc([nH]c1c3ccccc3)SCC(c4ccccc4)=O,0.0
55738,CO-ADD:0222165,0.43,n1c(ccc(c2)\N=C\c3ccccc3O)c2oc1c(cc4)ccc4C(C)(C)C,0.0
55739,CO-ADD:0219438,0.43,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)C(=O)Nc(cc2)ccc2OCC,0.0
55740,CO-ADD:0220099,0.43,C(=N/NC(=O)c1ccc(cc1)OC)(/c2c(N3)ccc(Br)c2)\C3=O,0.0
55741,CO-ADD:0222317,0.43,c1(oc(c2n1)ccc(Cl)c2)c3cc(ccc3Cl)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
55742,CO-ADD:0221450,0.43,C1(\N=C\c2cc(Br)ccc2OC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
55743,CO-ADD:0219042,0.43,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(cc3C)C,0.0
55744,CO-ADD:0294702,0.43,[N+](=O)([O-])c1ccccc1C(=O)NC(SC)=N,0.0
55745,CO-ADD:0293224,0.43,C1(c2ccccc2F)C(C3)C(C(C3Sc4ccccc4[N+](=O)[O-])Cl)c5c(ccc(cccc6)c56)N1,0.0
55746,CO-ADD:0287186,0.43,c(c(COC)[nH]n1)(C2c3ccc(cc3)F)c1OC(N)=C2C#N,0.0
55747,CO-ADD:0290930,0.43,c1(S)nc(c2n1CCc3ccccc3)cccc2,0.0
55748,CO-ADD:0227212,0.43,[N+](=O)([O-])c1ccc(cc1)\C=N\c2cc(CC)ccc2O,0.0
55749,CO-ADD:0291596,0.43,c1(nn(cn1)CC(=O)NC2CCCC2)[N+](=O)[O-],0.0
55750,CO-ADD:0291582,0.43,c1(C#N)c(SCC(=O)c2ccc(cc2)OC)nc(c3c1CC(C)C)CCCC3,0.0
55751,CO-ADD:0227910,0.43,c1(C#N)c(c2ccc(cc2)F)c3c(nc1N)CCC3,0.0
55752,CO-ADD:0292110,0.43,n1(c2ccccc2Br)cnnn1,0.0
55753,CO-ADD:0227369,0.43,n1c(c(cc2)ccc2[N+](=O)[O-])[nH]c(c3ccc(cc3)Oc(cc4)ccc4c5c(c(cc6)ccc6[N+](=O)[O-])[nH]c(c(cc7)ccc7[N+](=O)[O-])n5)c1c(cc8)ccc8[N+](=O)[O-],0.0
55754,CO-ADD:0227806,0.43,N(=C(/C)\c(cc1)ccc1C(C)(C)C)/NC(COc2cccc(C)c2)=O,0.0
55755,CO-ADD:0291684,0.43,c1(NC(c2ccccc2)=O)sc3c(CCCC3=O)c1C(OCC)=O,0.0
55756,CO-ADD:0229194,0.43,n1(nnc(C)c1C(=O)N\N=C\c(ccc(c2O)O)c2)c3nonc3N,0.0
55757,CO-ADD:0299401,0.43,N1(c2cccc(cccc3)c23)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc(cc5)ccc5C(OC)=O,0.0
55758,CO-ADD:0227493,0.43,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C/Nc(ccc(c4C)C)c4,0.0
55759,CO-ADD:0285884,0.43,C(=C/c1ccccc1OCCCCCC)(/C(c2ccccc2)=NN3c4ccccc4)\C3=O,0.0
55760,CO-ADD:0285242,0.43,C1(=NC(=O)NC2=O)C2=Cc(cccc3)c3N1c(cc4)ccc4[N+](=O)[O-],0.0
55761,CO-ADD:0285258,0.43,C(=C(\O)/c1ccccc1)(/C(=O)C(O2)=O)\C2c3ccc(cc3)F,0.0
55762,CO-ADD:0286738,0.43,n1(c2c(n3)cccc2)c3S\C(=C\C=C(/C=Cc(c45)cccc4)\N5CC)\C1=O,0.0
55763,CO-ADD:0286282,0.43,C12(c(cccc3)c3C(c4ccc(cc4)Cl)(c5ccc(cc5)Cl)S1)N(c6ccccc6)N=C(C(c7ccccc7)=O)S2,0.0
55764,CO-ADD:0286434,0.43,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c(cc4)ccc4C(OC)=O)\C1=O,0.0
55765,CO-ADD:0287277,0.43,N(c1c(cccc1)OC2=O)=C2CCC(O)=O,0.0
55766,CO-ADD:0287309,0.43,C(=S)(c(cc1)cc(c1OC(=O)c2ccc(cc2)OC)OC)N3CCC(CC3)C,0.0
55767,CO-ADD:0287319,0.43,c1([N+](=O)[O-])nn(cc1Br)CC(=O)Nc2sc(c3c2C#N)CCC3,0.0
55768,CO-ADD:0286894,0.43,C(C#N)(C(c1ccc(c(O)c1)OC)C2=C(N3c4ccc(cc4F)Br)CCCC2=O)=C3N,0.0
55769,CO-ADD:0222108,0.43,n(c1SCC(=O)Nc(cc2)ccc2C(OCCCC)=O)c(SCC(=O)Nc(cc3)ccc3C(OCCCC)=O)nc(SCC(=O)Nc(cc4)ccc4C(OCCCC)=O)n1,0.0
55770,CO-ADD:0294857,0.43,C(C)(C)(C(=O)O1)C(=O)C(C1c2ccc(cc2Cl)Cl)(C)C,0.0
55771,CO-ADD:0293257,0.43,c1(c2c(cccc2)c(nn1)C)Nc3ccccc3O,0.0
55772,CO-ADD:0222813,0.43,N1(CCc(ccc(c2OC)OC)c2)C(=O)C(C3C1=O)C(C=C4)C5C(C5)C34,0.0
55773,CO-ADD:0220839,0.43,c1(c(cccc1N)c2)cc(c23)cccc3N,0.0
55774,CO-ADD:0220600,0.43,c1(c(O)c(\C=N\NC(=O)\C(=C\c2ccccc2O)\NC(c3ccccc3)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
55775,CO-ADD:0294094,0.42,C(C(c1ccccc1)=O)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2c4cccc(OC)c4)=O,0.0
55776,CO-ADD:0293775,0.42,N(Cc1ccccc1)(C(=O)C(C23)C(c4ccc(cc4O)O)NC2(CCSC)C(O)=O)C3=O,0.0
55777,CO-ADD:0293768,0.42,n(c(cccc1)c12)c(C=O)c(n2)C,0.0
55778,CO-ADD:0293066,0.42,c1(c2c(sc1NC(CSc3nncn3C)=O)CCCC2)C(=O)OC(C)C,0.0
55779,CO-ADD:0294444,0.42,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccccc4)C3c5cc(OCO6)c6cc5[N+](=O)[O-],0.0
55780,CO-ADD:0156615,0.42,OC(C(NC(C1=CC=C(C=C1)C)=O)CC2=CC=C(C=C2)F)=O,0.0
55781,CO-ADD:0154574,0.42,OCC1CCN(CC2=CC=CC=C2)CC1.Cl,0.0
55782,CO-ADD:0166452,0.42,C(=O)(N\N=C/c1cc(OC)ccc1OC)C(=O)NC(C)c2ccccc2,0.0
55783,CO-ADD:0166121,0.42,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2cc(OC)ccc2O,0.0
55784,CO-ADD:0166790,0.42,N1(c(cc2)ccc2S(=O)(=O)Nc3cccc(C)c3)C(=O)c(c4)c(c(c5)C1=O)c(cc4[N+](=O)[O-])cc5[N+](=O)[O-],0.0
55785,CO-ADD:0226794,0.42,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cc4)ccc4OCC)c(nn1)C(C)C,0.0
55786,CO-ADD:0225989,0.42,n12c(ccc(c3ccc(cc3)C)n1)nnc2CCC(=O)NCc(cc4)ccc4Br,0.0
55787,CO-ADD:0225635,0.42,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4cccc(Cl)c4)=O,0.0
55788,CO-ADD:0218536,0.42,N(=C\c(cc1)ccc1I)/NC(CCC(=O)Nc(cc2)ccc2CC)=O,0.0
55789,CO-ADD:0166696,0.42,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCc(cc3)ccc3C(C)(C)C)c4cccs4,0.0
55790,CO-ADD:0166079,0.42,C(=N/NC(COc1c(C)cccc1C)=O)(/c2c(N3)ccc(Br)c2)\C3=O,0.0
55791,CO-ADD:0166442,0.42,C(F)(F)(C(F)(F)COc(cc1)c(cc1C(F)(F)F)\N=C\c(c2)c(O)c(cc2[N+](=O)[O-])Br)C(F)(F)C(F)F,0.0
55792,CO-ADD:0215090,0.42,C(=C/NNc1ccc(cc1C)C)(/C(=O)NC(N2)=S)\C2=O,0.0
55793,CO-ADD:0215810,0.42,C(=N\NC(N)=O)(/C1(C)C)\C(/C/1=N/NC(N)=O)(C)C,0.0
55794,CO-ADD:0215826,0.42,[N+](=O)([O-])c1cccc(\C=N\c2ccccc2OCC(F)(F)C(F)F)c1O,0.0
55795,CO-ADD:0164395,0.42,CC(O)Cn1c(C)ncc1[N+]([O-])=O,0.0
55796,CO-ADD:0164572,0.42,CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(O)=O,0.0
55797,CO-ADD:0164703,0.42,OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)C2(O)C=CCCC2=O)[C@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H]1O,0.0
55798,CO-ADD:0166763,0.42,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc4c(O)ccc(Cl)c4,0.0
55799,CO-ADD:0226587,0.42,c1(nnc2SC(CC)C(=O)Nc3c(OC)ccc(OC)c3)n2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
55800,CO-ADD:0226811,0.42,N1(c(ccs2)c2C(N3CC(C)C)=O)C3=NN(Cc(cc4)ccc4N5CCCC5=O)C1=O,0.0
55801,CO-ADD:0225971,0.42,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4onc(c(ccc(c56)OCO5)c6)n4)C2=O,0.0
55802,CO-ADD:0218588,0.42,C(COC(CCC(NCCCCCCCCCCCC)=O)=O)#C,0.0
55803,CO-ADD:0218216,0.42,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc2cccc(C)c2,0.0
55804,CO-ADD:0218224,0.42,C(=O)(c1ccccc1C)Nc(cc2)c(C)cc2c(cc3)cc(c3NC(=O)c4ccccc4C)C,0.0
55805,CO-ADD:0218704,0.42,C(=O)(N\N=C\c1cccc(I)c1)C(=O)Nc2ccccc2C,0.0
55806,CO-ADD:0226749,0.42,c12n(ccn(nc(c3ccc(cc3)C)c4)c14)c(nn2)SCC(=O)Nc5ccccc5Br,0.0
55807,CO-ADD:0225717,0.42,C1(=N2)N(C=Nc3c1sc(n3)N4CCCC4)C(N2CC(=O)Nc5cccc(Br)c5)=O,0.0
55808,CO-ADD:0226988,0.42,N1(c(ccs2)c2C(N3Cc4ccco4)=O)C3=NN(CC(NCCC)=O)C1=O,0.0
55809,CO-ADD:0225732,0.42,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4ccc(c(OC)c4)OC)=O,0.0
55810,CO-ADD:0226635,0.42,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)N(CC4)CCN4c5ccccc5OC,0.0
55811,CO-ADD:0166101,0.42,c1(Br)c(O)c(\C=N\NC(CNC(=O)c2ccco2)=O)c(c(Br)c1O)C,0.0
55812,CO-ADD:0165956,0.42,C(=O)(N(C(C)C)C(C)C)C\C(\C)=N/NC(=O)c1ccccc1C,0.0
55813,CO-ADD:0166779,0.41,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)Nc4c(O)ccc(Cl)c4,0.0
55814,CO-ADD:0166048,0.41,C(CSCc1ccccc1Cl)(=O)N\N=C\c2cccc(Br)c2,0.0
55815,CO-ADD:0166292,0.41,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(=O)Nc2cc(C)ccc2C,0.0
55816,CO-ADD:0166380,0.41,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)N\N=C\c4ccccc4,0.0
55817,CO-ADD:0166468,0.41,C(=O)(N\N=C\c1c2c(cccc2)cc(cccc3)c13)C(=O)NC(C)c4ccccc4,0.0
55818,CO-ADD:0215699,0.41,C(=O)(c1cccc(Cl)c1)NCc2ccco2,0.0
55819,CO-ADD:0215347,0.41,C(C(OCCOC)=O)(C1c2ccccc2Cl)=C(N)OC(CCCC3=O)=C13,0.0
55820,CO-ADD:0215355,0.41,C(C(OCC)=O)(=C(CSc1c(ccc(c2cccs2)n1)C#N)OC(=C3C#N)N)C3c4ccccc4Cl,0.0
55821,CO-ADD:0166213,0.41,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c2ccc(cc2O)C,0.0
55822,CO-ADD:0164711,0.41,CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)[C@@H](C(C)C)C(O)=O,0.0
55824,CO-ADD:0164795,0.41,COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O.Cl,0.0
55825,CO-ADD:0166690,0.41,C(C(OCC)=O)(C1c2ccc(cc2)SC)=C(CSc3c(cc(c4n3)CCCCC4)C#N)OC(N)=C1C#N,0.0
55826,CO-ADD:0165961,0.41,[N+](=O)([O-])c1ccc(cc1)N\N=C\c(cc2)ccc2OC(=O)c3ccccc3OC(C)=O,0.0
55827,CO-ADD:0166268,0.41,C(=O)(OC(C)(C)C)NCc1ccco1,0.0
55828,CO-ADD:0226503,0.41,c12n(C=CN(c3ccc(cc3)OC)C1=O)c(nn2)SCC(=O)N(CC4)CCN4c5ccccc5F,0.0
55829,CO-ADD:0226847,0.41,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4cccc(Cl)c4)c(nn1)C(C)C,0.0
55830,CO-ADD:0218263,0.41,c1(c2ccco2)[nH]c(c3n1)cccc3,0.0
55831,CO-ADD:0218375,0.41,n(\N=C\c(ccc(c1O)OC)c1)(cnn2)c2,0.0
55832,CO-ADD:0218728,0.41,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c2cccc(C)c2,0.0
55833,CO-ADD:0218314,0.41,N(/NC(CCC(=O)N\N=C(\C)/c1cccc(Br)c1)=O)=C(\C)/c2cccc(Br)c2,0.0
55834,CO-ADD:0226651,0.41,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4cccc(CC)c4,0.0
55835,CO-ADD:0225320,0.41,c12n(c3c(cccc3)nc1N4CCCCC4)c(nn2)CCC(=O)NCc5ccccc5F,0.0
55836,CO-ADD:0226688,0.41,C1(=NN(C2=O)CC#N)N2c3c(ccc(c3)C(=O)NC4CCCC4)C(=O)N1Cc(cc5)ccc5C,0.0
55837,CO-ADD:0166061,0.41,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(ccc(c3I)O)c3,0.0
55838,CO-ADD:0166441,0.41,C(=O)(N\N=C\c(cc1)ccc1Cl)C(=O)NC(C)c2ccccc2,0.0
55839,CO-ADD:0166096,0.41,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
55840,CO-ADD:0166105,0.41,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)OC)c1,0.0
55841,CO-ADD:0166193,0.41,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(ccc(c3O)O)c3,0.0
55842,CO-ADD:0166602,0.41,C(=O)(N\N=C\c(cccc1Oc2ccccc2)c1)C(C)Oc(cc3)ccc3OCCCCC,0.0
55843,CO-ADD:0166229,0.41,N(=C(/C)\c1ccc(cc1)OC)/NC(COc2c(C)cccc2C)=O,0.0
55844,CO-ADD:0165843,0.41,C(C1)(C(C1(C)C)CC2)C(CS(=O)(C)=O)CCC(O3)C23C,0.0
55845,CO-ADD:0165910,0.4,c1(Cl)c(cccc1NC(=O)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O)Cl,0.0
55846,CO-ADD:0215092,0.4,C(=C\NCC(O)=O)(/C(=O)NC(N1)=S)\C1=O,0.0
55847,CO-ADD:0215804,0.4,C(=O)(N\N=C(/C)\CC(=O)NCC(C)C)C(NCCO)=O,0.0
55848,CO-ADD:0157968,0.4,O=C(N/N=C/C1=C(C(Br)=CC(Br)=C1)OC(C2=CC(F)=CC=C2)=O)/C(NC(C3=CC=CC=C3)=O)=C\C4=CC=C(C=C4)N(C)C,0.0
55849,CO-ADD:0157979,0.4,O=S(N(CC1)C(C(NC2=CC=C(OC)C=C2)=O)CN1S(=O)(C3=CC=CC=C3)=O)(C4=CC=CC=C4)=O,0.0
55850,CO-ADD:0158171,0.4,N#CC(C(C1=CC=CS1)=C2)=C(SCCCC(C(C=C3)=CC=C3F)=O)N=C2C4=CC=CS4,0.0
55851,CO-ADD:0158195,0.4,N#CC1=C(N)SC(C2)=C1CCN2C(C)C,0.0
55852,CO-ADD:0158227,0.4,O=C(N/N=C(C(C)C)/C1=CC=CC=C1)C2C(C3=CC=CC=C3)(C4=CC=CC=C4)C2,0.0
55853,CO-ADD:0164485,0.4,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O.Cl,0.0
55854,CO-ADD:0164469,0.4,CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C,0.0
55855,CO-ADD:0164852,0.4,CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O,0.0
55856,CO-ADD:0164373,0.4,COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1.O,0.0
55857,CO-ADD:0164805,0.4,C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O,0.0
55858,CO-ADD:0164413,0.4,COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C,0.0
55859,CO-ADD:0225729,0.4,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4cccc(OC)c4)=O,0.0
55860,CO-ADD:0226457,0.4,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCc4cccc(Cl)c4,0.0
55861,CO-ADD:0226465,0.4,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCc4cc(C)ccc4C,0.0
55862,CO-ADD:0226408,0.4,C1(=NN(C2=O)Cc3ccccc3Cl)N2C=CN(c4ccc(c(Cl)c4)OC)C1=O,0.0
55863,CO-ADD:0225832,0.4,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)Nc4cccc(Br)c4)=O,0.0
55864,CO-ADD:0225736,0.4,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc(ccc(c45)OCO4)c5)=O,0.0
55865,CO-ADD:0226683,0.4,C1(=NN(C2=O)Cc3ccccc3Cl)N2C=CN(c4cccc(Cl)c4C)C1=O,0.0
55866,CO-ADD:0226995,0.4,N1(c(ccs2)c2C(N3Cc4ccco4)=O)C3=NN(CC(=O)NC(C)(C)C)C1=O,0.0
55867,CO-ADD:0226691,0.4,c12n(c(nn1)SCc(cccc3C(F)(F)F)c3)c(c4C(=O)N2CCCC)ccs4,0.0
55868,CO-ADD:0166792,0.4,N1(c(cc2)ccc2S(=O)(=O)NCc3ccccc3)C(=O)c(c4)c(c(c5)C1=O)c(cc4[N+](=O)[O-])cc5[N+](=O)[O-],0.0
55869,CO-ADD:0166010,0.4,C(=O)(NC1CCCC1)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
55870,CO-ADD:0166437,0.4,C(=O)(N\N=C\c(cc1)ccc1Cl)C(=O)Nc2ccccc2OCC,0.0
55871,CO-ADD:0166153,0.4,c1(cccc(cccc2)c12)CC(=O)N\N=C\c3cccc(O)c3,0.0
55872,CO-ADD:0166658,0.4,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)SC,0.0
55873,CO-ADD:0215812,0.4,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(Cl)c1C)C(NCCO)=O,0.0
55874,CO-ADD:0215148,0.4,c1(nonc1N)N(CC(=O)N\N=C\c2ccccc2[N+](=O)[O-])N=Nc3nonc3N,0.0
55875,CO-ADD:0158132,0.4,O=C(N/N=C/C1=CC=CC=C1OCCCC)CC2=CC=CC3=C2C=CC=C3,0.0
55876,CO-ADD:0164821,0.4,[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1,0.0
55877,CO-ADD:0165020,0.4,CN(C)CCOC(c1ccccc1)c1ccccc1C.Cl,0.0
55878,CO-ADD:0164654,0.4,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl,0.0
55879,CO-ADD:0226481,0.4,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)NCc(cc4)ccc4Cl,0.0
55880,CO-ADD:0225257,0.4,N12C(C=CC(SC(C)C)=N1)=NN(CC(=O)Nc3ccc(cc3C)C)C2=O,0.0
55881,CO-ADD:0226617,0.4,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4OC,0.0
55882,CO-ADD:0226527,0.4,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCc(cc4)ccc4F,0.0
55883,CO-ADD:0226517,0.4,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)c4cccc(Cl)c4,0.0
55884,CO-ADD:0225829,0.39,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)Nc4cc(C)ccc4C)=O,0.0
55885,CO-ADD:0218561,0.39,C(NCCCCNC(=O)OC(CCC)c1ccccc1)(=O)OC(CCC)c2ccccc2,0.0
55886,CO-ADD:0218193,0.39,n1c(ccc(cccc2)c12)\C=C\c(cc3)ccc3\C=C\c4ccc(c5n4)cccc5,0.0
55887,CO-ADD:0218593,0.39,c1(Cl)cc(Cl)ccc1\C=N\OCO\N=C\c2ccc(cc2Cl)Cl,0.0
55888,CO-ADD:0218240,0.39,C(COc1cccc(Br)c1)(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
55889,CO-ADD:0218248,0.39,[N+](=O)([O-])c(ccc(c1\C=N\c(cccc2NC(C)=O)c2)O)c1,0.0
55890,CO-ADD:0166293,0.39,C(=O)(C(NCCOC=C)=O)Nc1cc(C)ccc1C,0.0
55891,CO-ADD:0166301,0.39,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)N\N=C\c(cccc3[N+](=O)[O-])c3,0.0
55892,CO-ADD:0166259,0.39,C(=O)(c1ccc(cc1)Cl)Nc2ccccc2Br,0.0
55893,CO-ADD:0166343,0.39,N1=C(N\N=C\c(ccc(c2OC)OCC#C)c2)SC(c3ccccc3)C1=O,0.0
55894,CO-ADD:0166531,0.39,C(NCCOc1ccccc1Cl)(=O)Nc(cc2)ccc2Br,0.0
55895,CO-ADD:0166056,0.39,c1(c(C)cccc1C)OCC(=O)N\N=C\c(cc2)ccc2\C=N\NC(COc3c(C)cccc3C)=O,0.0
55896,CO-ADD:0217984,0.39,C(=N/Nc1c(Br)cc(cc1Br)Br)(/C(=O)NC(N2)=S)\C2=O,0.0
55897,CO-ADD:0218465,0.39,c1(OCC(=O)N\N=C\c(cc2)ccc2Cl)c(Br)cc(cc1Br)Br,0.0
55898,CO-ADD:0218489,0.39,c1(c(Cl)ccc(Cl)c1)NC(CCCCCCCCCCC(=O)Nc2c(Cl)ccc(Cl)c2)=O,0.0
55899,CO-ADD:0217961,0.39,C(COC)(=O)N\N=C(/C)\CC(=O)NCC1CCCO1,0.0
55900,CO-ADD:0227005,0.39,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc(ccc(c45)CCC4)c5)C2=O,0.0
55901,CO-ADD:0225733,0.39,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4ccccc4OCC)=O,0.0
55902,CO-ADD:0226008,0.39,C1(=N2)N(C=CN=C1N3CCCC(C)C3)C(N2CC(=O)Nc(ccc(c4C)C)c4)=O,0.0
55903,CO-ADD:0218376,0.39,S(=O)(=O)(c(cc1)ccc1C(O)=O)N(C)[N+](=O)[O-],0.0
55904,CO-ADD:0166139,0.39,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2OCC)cc(c2O)Cl,0.0
55905,CO-ADD:0165900,0.39,C(=O)(Nc(cc1)ccc1I)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O,0.0
55906,CO-ADD:0215293,0.39,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccccc3F,0.0
55907,CO-ADD:0215717,0.39,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Nc(cc2)ccn2,0.0
55908,CO-ADD:0218025,0.39,c1(c2ccc(cc2)I)ccc(\C=N\NC(CNc3ccccc3C)=O)o1,0.0
55909,CO-ADD:0217874,0.39,N1=C(SC)C(C(C)=O)=C(N(c2ccccc2)C1=O)C,0.0
55910,CO-ADD:0217882,0.39,N1(CCCC1=O)c(cc2)ccc2C(=O)N\N=C\c3ccccc3,0.0
55911,CO-ADD:0215700,0.39,N(C(=O)c1cccc(Cl)c1)c2sccn2,0.0
55912,CO-ADD:0215757,0.39,C(=O)(Nc(cc1)ccc1Cl)CCN2CCCCC2.Cl,0.0
55913,CO-ADD:0215117,0.39,C(=C\Nc1cccc(Cl)c1)(/C2=O)\C(=O)NC(=S)N2,0.0
55914,CO-ADD:0215789,0.39,C(F)(F)(C(F)(F)COc1ccccc1NC(=O)c2ccccc2Br)C(F)(F)C(F)F,0.0
55915,CO-ADD:0217962,0.39,c1(n[nH]cn1)NC(=O)c2ccc(cc2)Cl,0.0
55916,CO-ADD:0218810,0.39,N(=C(\CCC)/c1ccccc1)/NC(C)=O,0.0
55917,CO-ADD:0217510,0.39,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Cl)cc4[N+](=O)[O-])c4O)cccn2,0.0
55918,CO-ADD:0158228,0.39,O=C(N/N=C(C)/C1=CC=CC2=CC=CC=C12)C3C(C4=CC=CC=C4)(C5=CC=CC=C5)C3,0.0
55919,CO-ADD:0157981,0.39,NC1=C(C(N)=O)SC2=C1C(C)=CC(C)=N2,0.0
55920,CO-ADD:0158173,0.39,N#CC(C(C(F)(F)F)=C1)=C(SCC(CC(OCC)=O)=O)N=C1C2=CC=CS2,0.0
55921,CO-ADD:0157997,0.39,N#CC1=C(Br)N=C(C2=CC=CC=C2)C=C1C3=CC=CC=C3,0.0
55922,CO-ADD:0225925,0.39,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc(cc4)ccc4Br)C2=O,0.0
55923,CO-ADD:0225286,0.39,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc(ccc(c3C)Br)c3)C2=O,0.0
55924,CO-ADD:0225310,0.39,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc5c(OC)ccc(OC)c5,0.0
55925,CO-ADD:0218686,0.39,C(=O)(C(NCCCCCC)=O)Nc1ccc(cc1C)I,0.0
55926,CO-ADD:0218253,0.38,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(=O)c(cccn2)c2,0.0
55927,CO-ADD:0218397,0.38,c(N(CC1)CCO1)(nc(N(CC2)CCO2)nc3N(CC4)CCO4)n3,0.0
55928,CO-ADD:0215515,0.38,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2C#N)c3ccc(cc3C)C,0.0
55929,CO-ADD:0166563,0.38,S(=O)(=O)(c1ccc(cc1)C)N\N=C\c(cc2)ccc2C#N,0.0
55930,CO-ADD:0166511,0.38,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccc(cc2)OCc3ccccc3)c4ccccc4Br,0.0
55931,CO-ADD:0165919,0.38,C(=O)(C\C(\C)=N\NC(COc(cc(C)c(c1)Br)c1Br)=O)Nc2ccc(cc2OC)OC,0.0
55932,CO-ADD:0215334,0.38,c(C#N)(c1c2ccc(cc2)F)c(SCC(=O)Nc3cccc(C)c3)nc(N)c1C#N,0.0
55933,CO-ADD:0215102,0.38,C(=C/Nc(cc1)ccc1C(O)=O)(/C2=O)\C(=O)NC(=S)N2,0.0
55934,CO-ADD:0158269,0.38,O=C(NC1=CC=C(F)C=C1)CCC(N/N=C/C2=CC(Cl)=CC=C2)=O,0.0
55935,CO-ADD:0157942,0.38,O=C(NC(C=C1)=CC=C1C)/C=C/C2=CC(Br)=CC=C2,0.0
55936,CO-ADD:0158142,0.38,O=C(N/N=C(C)\CC(NCC1=CN=CC=C1)=O)C(NCC(C)C)=O,0.0
55937,CO-ADD:0226414,0.38,C1(=NN(C2=O)Cc3ccccc3F)N2C=CN(c4ccccc4)C1=O,0.0
55938,CO-ADD:0226438,0.38,c1(nnc2SC(C)C(=O)Nc3cc(OC)cc(OC)c3)n2C=CN(c4ccccc4OC)C1=O,0.0
55939,CO-ADD:0218702,0.38,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c2cccc(Br)c2,0.0
55940,CO-ADD:0218143,0.38,c1(cccs1)C(NCCOc(cc2)ccc2F)=O,0.0
55941,CO-ADD:0218412,0.38,N1(c2ccc(cc2)F)C(=O)c3c(c(ccc4N5CCCCC5)C1=O)c4ccc3,0.0
55942,CO-ADD:0218451,0.38,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N\N=C(/C)\CCCCCCC,0.0
55943,CO-ADD:0215435,0.38,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(=O)C(c3ccccc3)c4ccccc4,0.0
55944,CO-ADD:0215638,0.38,C(=O)(N\N=C\c1ccccc1)C(=O)Nc2cc(C)ccc2C,0.0
55945,CO-ADD:0215423,0.38,C(O1)(\C(\C2)=C\c3cccs3)=C(CN2Cc4ccccc4)C(C(C#N)=C1N)c5cccs5,0.0
55946,CO-ADD:0215579,0.38,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(=O)C(=O)NC3CCCC3,0.0
55947,CO-ADD:0215388,0.38,c1(C#N)c(c2cccs2)c3c(nc1SCc4c(cccc4F)Cl)CCCC3,0.0
55948,CO-ADD:0215396,0.38,c1(C#N)c(c2cccs2)c3c(nc1SCC(=O)NC(C)(C)C)CCCC3,0.0
55949,CO-ADD:0215560,0.38,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\c(cc3)ccc3C,0.0
55950,CO-ADD:0214896,0.38,N1(c(cc2)ccc2S(=O)(=O)Nc3ccccc3)C(=O)c(c4)c(c(c5)C1=O)c(cc4[N+](=O)[O-])cc5[N+](=O)[O-],0.0
55951,CO-ADD:0166636,0.38,C(C(=O)N(CC1)CCO1)(C2c3ccccc3)C(C2C(=O)N\N=C\c(cc4)ccc4F)c5ccccc5,0.0
55952,CO-ADD:0215790,0.38,c1(c(Br)cc(cc1Br)\C=N\c2ccc(cc2C)C)OC(c3ccccc3)=O,0.0
55953,CO-ADD:0215671,0.38,N1(C(=O)c2c(cc(cc2)Oc(cccc3[N+](=O)[O-])c3)C1=O)N4C(=O)c(c5C4=O)cccc5,0.0
55954,CO-ADD:0215695,0.38,c1(ccc(cc1Cl)Cl)C(=O)NCC(=O)NNC(=O)Nc2cccc(cccc3)c23,0.0
55955,CO-ADD:0165060,0.38,Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1,0.0
55956,CO-ADD:0226462,0.38,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc4ccccc4Cl,0.0
55957,CO-ADD:0226478,0.38,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc4c(F)ccc(F)c4,0.0
55958,CO-ADD:0226038,0.38,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)NCc(cc4)ccc4F)=O,0.0
55959,CO-ADD:0226094,0.38,S(=O)(=O)(N(Cc1cccc(F)c1)c2cccc(F)c2)c3cccn(c(nn4)C)c34,0.0
55960,CO-ADD:0218159,0.38,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3C\C=C\c4ccccc4)C1=O,0.0
55961,CO-ADD:0218215,0.38,c1(cc(Br)ccc1O)C(=O)N\N=C\c2c(O)ccc(cccc3)c23,0.0
55962,CO-ADD:0218047,0.38,n1nc(c2n1CNc3c(Cl)ccc(Cl)c3)cccc2,0.0
55963,CO-ADD:0217971,0.38,c1(SCC(=O)Nc(ccc(c23)cccc2)c3)ccc(\C=N\NC(COC)=O)o1,0.0
55964,CO-ADD:0217939,0.38,[N+](=O)([O-])c1cccc(c1)NC(=O)c2ccco2,0.0
55965,CO-ADD:0217932,0.38,c1(C(OCC)=O)c(C)c(c(C)[nH]1)C,0.0
55966,CO-ADD:0215386,0.38,c(C(=O)Nc1ccccc1C)(c(N)c(c23)ccc(c4cccs4)n2)s3,0.0
55967,CO-ADD:0215506,0.37,C(COc(cc1)ccc1OC)(=O)N\N=C(/C)\CC(=O)NCC(C)C,0.0
55968,CO-ADD:0215418,0.37,C(\C(\CC1)=C\c(cc2)ccc2C)(O3)=C1C(C(C#N)=C3N)c4ccc(cc4)C,0.0
55969,CO-ADD:0215530,0.37,c1(c2ccc(cc2)Cl)nc(sc1c3ccccc3)N\N=C\c(ccc(c4OC)OC)c4,0.0
55970,CO-ADD:0215389,0.37,c1(C#N)c(c2cccs2)c3c(nc1SCc(ccc(c4Cl)Cl)c4)CCCC3,0.0
55971,CO-ADD:0215573,0.37,N1(\N=C\c2cccc(Br)c2)C(=O)c3c(c4C1=O)c(c(CC5)cc3)c5cc4,0.0
55972,CO-ADD:0164593,0.37,Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1,0.0
55973,CO-ADD:0164620,0.37,COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F.OC(=O)/C=C\C(=O)O,0.0
55974,CO-ADD:0164636,0.37,CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1,0.0
55975,CO-ADD:0226623,0.37,C1(=NN(C2=O)Cc3ccccc3Cl)N2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
55976,CO-ADD:0226671,0.37,c1(C2=O)n(c(nn1)CC)c3c(cccc3)N2CC(=O)Nc4c(Cl)ccc(Cl)c4,0.0
55977,CO-ADD:0226105,0.37,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(cc2)F)c3cccn(c(nn4)CC)c34,0.0
55978,CO-ADD:0226023,0.37,C1(=N2)N(C=CN=C1N(CC3)CCO3)C(N2CC(=O)Nc(cc4)ccc4C(OCC)=O)=O,0.0
55979,CO-ADD:0218671,0.37,C(c1ccccc1)(=O)N\N=C\c(cc2)ccc2OC(=O)\C=C\c(ccc(c3OC)OC)c3,0.0
55980,CO-ADD:0218149,0.37,n1(c2cccc(cccc3)c23)nnnc1SCC(=O)NC(c4ccccc4)c5ccccc5,0.0
55981,CO-ADD:0218165,0.37,c1(Nc(cc2)ccc2Cl)nc(OC)nc(OC)n1,0.0
55982,CO-ADD:0218658,0.37,C(=O)(N\N=C\c1cc(C)ccc1O)C(O)c2ccccc2,0.0
55983,CO-ADD:0218690,0.37,C(=O)(Nc(cc1)ccc1F)C\C(\C)=N\NC(Cc2ccccc2)=O,0.0
55984,CO-ADD:0218132,0.37,C(=O)(c1cccc(cccc2)c12)N(CC3)CCN3c4ccccc4,0.0
55985,CO-ADD:0217988,0.37,c1(c2ccc(cc2)I)ccc(\C=N\NC(COc(ccc(c3C)C)c3)=O)o1,0.0
55986,CO-ADD:0218708,0.37,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(Cc(cc2)ccc2O)C(=O)N\N=C\c(cc3)ccc3[N+](=O)[O-])c1,0.0
55987,CO-ADD:0218028,0.37,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c(cc4)ccc4C(OC)=O,0.0
55988,CO-ADD:0217861,0.37,n(c(N(C)C)c1N(C)C)c2c(n1)non2,0.0
55989,CO-ADD:0217893,0.37,C(COc(cc1)ccc1Cl)(=O)NC2CCCCCCCCCCC2,0.0
55990,CO-ADD:0215575,0.37,C(=O)(c1ccc(cc1)OC)Oc2cc(ccc2\C=N\c3cccc(OC)c3)OC(=O)c4ccc(cc4)OC,0.0
55991,CO-ADD:0214933,0.37,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2C)C(NCCOC)=O,0.0
55992,CO-ADD:0215510,0.37,C(COc(cc1)ccc1OC)(=O)N\N=C(/C)\CC(=O)NCc2ccccc2,0.0
55993,CO-ADD:0215430,0.37,N1(\N=C\c(ccc(c2[N+](=O)[O-])OC(=O)c3ccc(cc3)OC)c2)C(=O)c4c(cccc4)C1=O,0.0
55994,CO-ADD:0215768,0.37,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
55995,CO-ADD:0166051,0.37,C(=O)(OC(C)(C)C)N\N=C(/C)\CC(C)=O,0.0
55996,CO-ADD:0166173,0.37,C(=O)(N\N=C\c1cc(Cl)ccc1O)c(ccc(c23)OCCO2)c3,0.0
55997,CO-ADD:0166118,0.37,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2cc(OC)ccc2O,0.0
55998,CO-ADD:0164557,0.37,COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,0.0
55999,CO-ADD:0164710,0.37,CN1CCN2C(C1)c1ccccc1Cc1cccnc21,0.0
56000,CO-ADD:0164732,0.37,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12,0.0
56001,CO-ADD:0164854,0.37,CN1CCc2cc(Br)c(O)cc2C(C1)c1ccccc1.Br,0.0
56002,CO-ADD:0164500,0.37,Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C,0.0
56003,CO-ADD:0164894,0.37,O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2.Cl,0.0
56004,CO-ADD:0164864,0.37,C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c1cccc2CC(C)CNc12,0.0
56006,CO-ADD:0225534,0.37,n(c1c(cccc1)nc2SCc3c(C)oc(c4cccc(Cl)c4)n3)(c(C(C)C)nn5)c25,0.0
56007,CO-ADD:0225646,0.37,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc(cc4)ccc4CC)=O,0.0
56008,CO-ADD:0226718,0.37,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(Cc5cccc(F)c5)C1=O,0.0
56009,CO-ADD:0218633,0.37,[N+](=O)([O-])c1cccc(c1)NC(=O)\C=C\c(cc2)ccc2Br,0.0
56010,CO-ADD:0218574,0.37,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c2ccc(c(OC)c2)OC,0.0
56011,CO-ADD:0217917,0.37,c1(Oc2ccccc2)nc(OC)nc(OC)n1,0.0
56012,CO-ADD:0225505,0.37,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc(ccc(c56)OCO5)c6)=O,0.0
56013,CO-ADD:0225564,0.36,N12C(C=CC(Sc3ccccc3)=N1)=NN(CC(=O)Nc(cc4)ccc4Cl)C2=O,0.0
56014,CO-ADD:0225572,0.36,N12C(C=CC(Sc(cc3)ccc3C)=N1)=NN(CC(=O)Nc(cc4)ccc4C(OC)=O)C2=O,0.0
56015,CO-ADD:0215792,0.36,c1(c(Br)cc(cc1Br)\C=N\c2cccc(C)c2C)OC(c3ccccc3)=O,0.0
56016,CO-ADD:0215281,0.36,c1(c(ccc(c1)[N+](=O)[O-])NC(C)(C)CO)[N+](=O)[O-],0.0
56017,CO-ADD:0215777,0.36,[N+](=O)([O-])c(cccc1c2ccc(\C=N\N(C)c3ccccc3)o2)c1,0.0
56018,CO-ADD:0166719,0.36,C1(C2c3ccc(cc3)Cl)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
56019,CO-ADD:0166282,0.36,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\NC(=O)c3ccco3)o2)Cl)c1,0.0
56020,CO-ADD:0166236,0.36,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(ccc(c34)cccc3)c4,0.0
56021,CO-ADD:0166639,0.36,C(=N/NC(c1ccccc1)=O)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
56022,CO-ADD:0215162,0.36,C(C(OCC)=O)(C1c2ccc(c(OC)c2)OC)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
56023,CO-ADD:0215834,0.36,C(F)(F)(C(F)(F)COc(cc1)c(cc1C(F)(F)F)\N=C\c2ccccc2O)C(F)(F)C(F)F,0.0
56024,CO-ADD:0166700,0.36,C1(C#N)(C#N)C(c2ccccc2C(F)(F)F)C(C3)C(C(C#N)=C1N)=CCN3C.[Na+],0.0
56025,CO-ADD:0166615,0.36,C(CNc(cc1)ccc1I)(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
56026,CO-ADD:0156553,0.36,Cl[Pt](N[C@H]1C)(S(C)(C)=O)C2=C1C3=CC=CC=C3C=C2,0.0
56027,CO-ADD:0158161,0.36,[O-][N+](C(C=C1)=CC=C1/C(C)=N\NC(CSCC2=CC=C(C=C2)Cl)=O)=O,0.0
56028,CO-ADD:0159680,0.36,O[C@H]1[C@H](O)[C@@H]([C@@H](O)CO)OC(CC(C)=O)[C@H]1O,0.0
56029,CO-ADD:0164763,0.36,O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1,0.0
56030,CO-ADD:0164449,0.36,CCC(CO)NCCNC(CC)CO,0.0
56031,CO-ADD:0164780,0.36,CNC(NCCSCc1[nH]cnc1C)=NC#N,0.0
56032,CO-ADD:0164829,0.36,C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(O)=C(C[C@]4(C)[C@H]3CC[C@]12C)C=O,0.0
56033,CO-ADD:0164499,0.36,CN(C)CCOC(c1ccccc1)c1ccccc1.Cl,0.0
56034,CO-ADD:0164523,0.36,CC(N(O)C(N)=O)c1cc2ccccc2s1,0.0
56035,CO-ADD:0218013,0.36,N(\C(=C/c(cc1)ccc1OCC)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
56036,CO-ADD:0217878,0.36,S(=O)(=O)(c1ccc(cc1)C)\N=C(/NC2)\NCN2c3ccc(cc3)Cl,0.0
56037,CO-ADD:0226401,0.36,n1(c(ccc2C(=O)Nc(cc3)ccc3C)nnc1SCC(=O)Nc(cc4)ccc4F)c2,0.0
56038,CO-ADD:0218582,0.36,C(COc1ccccc1CC=C)(=O)N\N=C\c2ccccc2Br,0.0
56039,CO-ADD:0218198,0.36,c1(\C=N\NC(=O)c2ccc(cc2)OC)c(O)ccc(cccc3)c13,0.0
56040,CO-ADD:0218122,0.36,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc(cc3)ccc3N(C)C,0.0
56041,CO-ADD:0225647,0.36,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)Nc(cc4)ccc4C(C)C)=O,0.0
56042,CO-ADD:0225727,0.36,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4c(C)cccc4C)=O,0.0
56043,CO-ADD:0226783,0.36,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4cccc(C)c4)c(nn1)C(C)C,0.0
56044,CO-ADD:0215615,0.36,C(=O)(C(=O)NCc1ccco1)Nc2cc(C)ccc2C,0.0
56045,CO-ADD:0215504,0.36,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
56046,CO-ADD:0165886,0.36,C(=O)(Nc1cccc(Cl)c1)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O,0.0
56047,CO-ADD:0166664,0.36,C(C#N)(C1c2cccc(c2)OCc3ccccc3)=C(N)SC(N)=C1C#N,0.0
56048,CO-ADD:0166322,0.36,c1(Sc2ccc(\C=N\c(ccc(c3C)C)c3)o2)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
56049,CO-ADD:0166264,0.35,c1(Cl)c(ccc(Cl)c1)OCC(=O)NCc2ccco2,0.0
56050,CO-ADD:0166367,0.35,C(Oc(cccc1C(=O)Nc2cccc(Br)c2)c1)(=S)Nc3cccc(Br)c3,0.0
56051,CO-ADD:0166152,0.35,c1(cc(O)ccc1O)\C(\C)=N\NC(COc(cc2)ccc2Cl)=O,0.0
56052,CO-ADD:0217499,0.35,[N+](=O)([O-])c1c(Cl)ccc(c1)c2ccc(\C=N\c(ccc(c3Cl)C)c3)o2,0.0
56053,CO-ADD:0217523,0.35,C(=N\NC(=O)\C(=C/c(cc1)ccc1N(CC)CC)\NC(c2ccccc2)=O)(/c3c(N4C)cccc3)\C4=O,0.0
56054,CO-ADD:0217100,0.35,N1(NC(CCCCCl)=O)c2c(cccc2)CCc(cccc3)c13,0.0
56055,CO-ADD:0158151,0.35,O=C(CSCC1=CC=C(C=C1)Cl)N/N=C/C2=CC=C(C=C2)Cl,0.0
56056,CO-ADD:0164893,0.35,CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.Cl,0.0
56057,CO-ADD:0164582,0.35,COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2.O.Cl,0.0
56058,CO-ADD:0164625,0.35,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0.0
56059,CO-ADD:0225480,0.35,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc(cc(C)cc5C)c5)=O,0.0
56060,CO-ADD:0225496,0.35,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc(cc(C)cc5C)c5)=O,0.0
56061,CO-ADD:0225504,0.35,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5ccccc5OCC)=O,0.0
56062,CO-ADD:0225600,0.35,S(=O)(=O)(N1CCCC1)c2cccn(c(nn3)SCc4c(cccc4Cl)F)c23,0.0
56063,CO-ADD:0226561,0.35,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)SCc4cc(C)ccc4C,0.0
56064,CO-ADD:0226577,0.35,c12n(C=CN(c3ccc(c(C)c3)C)C1=O)c(nn2)SCC(=O)c4c[nH]c(ccc(OC)c5)c45,0.0
56065,CO-ADD:0226817,0.35,C1(=N2)N(C=Cn(nc(c3ccc(cc3)C)c4)c14)C(N2CC(=O)Nc5c(OC)ccc(Cl)c5)=O,0.0
56066,CO-ADD:0218179,0.35,c(CC(=O)N\N=C\c(cc1)ccc1Br)(c2c([nH]3)cccc2)c3,0.0
56067,CO-ADD:0218211,0.35,c1(cc(Br)ccc1O)C(=O)N\N=C\c2ccccc2O,0.0
56068,CO-ADD:0218059,0.35,C(=C\c(ccc1c2ccc(cc2)Br)o1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
56069,CO-ADD:0225724,0.35,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc(cc4)ccc4CCCC)=O,0.0
56070,CO-ADD:0226602,0.35,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)Nc4c(OC)ccc(Cl)c4,0.0
56071,CO-ADD:0226634,0.35,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4CC,0.0
56072,CO-ADD:0166645,0.35,C([N+](=O)[O-])(C1c2ccc(cc2)OC)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
56073,CO-ADD:0166224,0.35,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c2ccc(cc2OC)OC,0.0
56074,CO-ADD:0166232,0.35,c1(ccc(\C=N\NC(=O)Cc2cccc(cccc3)c23)o1)[N+](=O)[O-],0.0
56075,CO-ADD:0157967,0.34,O=C(C1=CC=CS1)N2CCN(C3=CC=CC=C3)CC2,0.0
56076,CO-ADD:0158018,0.34,O=C(NCCOCC1=CC=CC=C1)C2=CC(OC)=C(OC)C=C2,0.0
56077,CO-ADD:0158242,0.34,O=C(S/1)N(CNC2=CC(Cl)=CC=C2)C(C1=C/C3=CC(OC)=CC=C3)=O,0.0
56078,CO-ADD:0158266,0.34,O=C(N/N=C/C1=CC(Cl)=CC=C1)C(NC2=CC=CC(F)=C2)=O,0.0
56079,CO-ADD:0217098,0.34,N1(CC)C=CC(C=C1)=N.Br,0.0
56080,CO-ADD:0217554,0.34,C1(\N=C\c(c(C)c(Cl)c(c2[N+](=O)[O-])C)c2O)=C(C(OCC)=O)C3C(CCCC3)S1,0.0
56081,CO-ADD:0164538,0.34,COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1,0.0
56082,CO-ADD:0164546,0.34,CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,0.0
56083,CO-ADD:0164554,0.34,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO,0.0
56084,CO-ADD:0164770,0.34,CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,0.0
56085,CO-ADD:0164426,0.34,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12.Cl,0.0
56086,CO-ADD:0164858,0.34,CC[C@H]1[C@@H](Cc2cncn2C)COC1=O.Cl,0.0
56087,CO-ADD:0226750,0.34,c12n(ccn(nc(c3ccc(cc3)C)c4)c14)c(nn2)SCC(=O)Nc5cccc(Br)c5,0.0
56088,CO-ADD:0226774,0.34,c1(C2=O)n(c(nn1)CCC)c3c(cccc3)N2CC(=O)N4CCCc(cccc5)c45,0.0
56089,CO-ADD:0225680,0.34,C1(=N2)N(C=CN=C1Oc3cccc(C)c3C)C(N2CC(=O)Nc(cccc4C(OCC)=O)c4)=O,0.0
56090,CO-ADD:0225969,0.34,N12C(C=CC(c3ccccc3)=N1)=NN(Cc(onc4c5cccc(OC)c5OC)n4)C2=O,0.0
56091,CO-ADD:0225977,0.34,N12C(C=CC(c3ccc(cc3)C)=N1)=NN(Cc4onc(c5ccc(cc5)OC(F)(F)F)n4)C2=O,0.0
56092,CO-ADD:0218363,0.34,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)c2ccc(cc2)Cl,0.0
56093,CO-ADD:0218748,0.34,N(c1ccccc1Br)C(CCC(=O)N\N=C\c2ccccc2I)=O,0.0
56094,CO-ADD:0218321,0.34,N(/NC(c1ccccc1)=O)=C(/C)\c2ccco2,0.0
56095,CO-ADD:0227010,0.34,N(C=Nc1c2c3c(s1)CCCC3)(C4=O)C2=NN4CC(=O)Nc(ccc(c5C)C)c5,0.0
56096,CO-ADD:0226490,0.34,c1(nnc2SC(C)C(=O)Nc(cc3)ccc3OC)n2C=CN(c4cccc(OC)c4)C1=O,0.0
56097,CO-ADD:0166473,0.34,C(=O)(C(NCCc1ccccc1Cl)=O)Nc2cccc(Cl)c2C,0.0
56099,CO-ADD:0165864,0.34,[C@@H]1(C(C)(C)[C@H](C1)C2)[C@@H](O)[C@@H]2CSSC[C@@H]([C@H](O)C3)[C@@H]4C(C)(C)[C@H]3C4,0.0
56100,CO-ADD:0215497,0.34,c(CC(NC(OCc1ccccc1)=O)C(=O)N\N=C\c(cc2)ccc2F)(c3c([nH]4)cccc3)c4,0.0
56101,CO-ADD:0215801,0.34,C(=O)(c1ccc(cc1)O)Nc2ccccc2F,0.0
56102,CO-ADD:0166161,0.34,c1(c(OC)cc(c(\C=N\NC(COc2ccccc2[N+](=O)[O-])=O)c1)OC)[N+](=O)[O-],0.0
56103,CO-ADD:0157947,0.34,O=C(C/C(C)=N/NC(CC1=CC=C(C=C1)C2=CC=CC=C2)=O)NC3=CC(Cl)=CC=C3C,0.0
56104,CO-ADD:0164371,0.34,Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1,0.0
56105,CO-ADD:0225712,0.34,C1(=N2)N(C=Nc3c1sc(n3)N4CCCC4)C(N2CC(=O)Nc(cc5)ccc5C(OC)=O)=O,0.0
56106,CO-ADD:0166770,0.34,N1(c2ccc(cc2)OCCCC)C(=O)C(CC1=O)SC(N\N=C\c(ccc(c3O)O)c3)=N,0.0
56107,CO-ADD:0166040,0.34,C(OCc1ccccc1)(=O)NC(CCC(N)=O)C(=O)OCC(c2ccccc2)=O,0.0
56108,CO-ADD:0226546,0.34,c12n(C=CN(c3ccc(cc3)F)C1=O)c(nn2)SCc(cc4)ccc4C=C,0.0
56109,CO-ADD:0225346,0.34,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc5c(C)cccc5C,0.0
56110,CO-ADD:0226586,0.34,c12n(C=CN(c3ccc(c(C)c3)C)C1=O)c(nn2)SCC(=O)Nc(ccc(c45)OCCO4)c5,0.0
56111,CO-ADD:0225506,0.34,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5cc(C)ccc5OC)=O,0.0
56112,CO-ADD:0226714,0.34,N1(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN(Cc5cccc(Cl)c5)C1=O,0.0
56113,CO-ADD:0226738,0.34,N1(c(ccs2)c2C(N3CCc4ccccc4)=O)C3=NN(Cc(cc5)ccc5Br)C1=O,0.0
56114,CO-ADD:0166493,0.34,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)Nc2ccccc2OCC,0.0
56115,CO-ADD:0166505,0.34,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccc(cc2)OCc3ccccc3)c4cccc(C)c4,0.0
56116,CO-ADD:0166077,0.34,c1(Br)c(O)c(\C=N\NC(COc(ccc(c2C)C)c2)=O)cc(Br)c1O,0.0
56117,CO-ADD:0166087,0.33,c1(Br)oc(cc1Br)\C=N\NC(COc2c(C)cccc2C)=O,0.0
56118,CO-ADD:0215817,0.33,C(=O)(N\N=C(/C)\CC(=O)Nc1c(C)cc(cc1C)C)C(NCCO)=O,0.0
56119,CO-ADD:0215282,0.33,S(=O)(=O)(c1ccc(cc1)\N=C\c2cc(Br)ccc2O)Nc3nnc(CC)s3,0.0
56120,CO-ADD:0304931,0.33,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCc(cc(Br)cc4)c34,0.0
56121,CO-ADD:0305179,0.33,c12c(cc(C)c(C)c1)NC(CC2c3ccc(cc3Cl)Cl)=O,0.0
56122,CO-ADD:0304476,0.33,P(N(CC)CC)(N(CC)CC)(N(CC)CC)=NN=Nc1sc(c2n1)cccc2,0.0
56123,CO-ADD:0157589,0.33,O=C(C(C1=CC=CC=C1)(O)C2=CC=CC=C2)N/N=C/C3=CC(Br)=C(O)C(Br)=C3O,0.0
56124,CO-ADD:0300859,0.33,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])Cl,0.0
56126,CO-ADD:0301059,0.33,C(C1)(CC2(CC1(C)CC3(C2)N)C)(C3)C(O)=O.Cl,0.0
56127,CO-ADD:0158360,0.33,O=C(C(C=C1)=CC=C1/N=C/C2=CC=CC=C2O)NC3=CC=C(OC)C=C3,0.0
56128,CO-ADD:0304567,0.33,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)OCC(=O)c3cccs3,0.0
56129,CO-ADD:0216840,0.33,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\NC(=O)c3ccc(cc3)C,0.0
56130,CO-ADD:0216912,0.33,c1(ccc(C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3C)o1)[N+](=O)[O-],0.0
56131,CO-ADD:0217068,0.33,c1(c(Br)cc(cc1Br)\C=N\c2cccc(C)c2)OC(=O)c3ccc(cc3)C,0.0
56132,CO-ADD:0216981,0.33,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c3ccccc3,0.0
56133,CO-ADD:0157801,0.33,O=C(N/N=C/C1=CC=CC=C1OC)C2=NC=CC=C2,0.0
56134,CO-ADD:0157119,0.33,[O-][N+](C(C=C1)=CC=C1C(NC2=CC=C(C=C2)C(NCC3=CC=CC=C3)=O)=O)=O,0.0
56135,CO-ADD:0304541,0.33,c1(C#N)c(SCCCCCCCCCCCC)nc(cc1c2ccccc2OC)c3ccccc3,0.0
56136,CO-ADD:0305209,0.33,c1(c(cccc1NC(=O)N\N=C\c2ccccc2C(F)(F)F)ns3)n3,0.0
56137,CO-ADD:0305257,0.33,c1(ccoc1C)C(=O)NCc(ccc2C(O)=O)o2,0.0
56138,CO-ADD:0163550,0.33,N1(c2cccc(cccc3)c23)C(=O)C(C4C1=O)C(c5ccccc5)(C(C46c7ccccc7)=O)C(=C6c8ccccc8)c9ccccc9,0.0
56139,CO-ADD:0156906,0.33,N#CC1=C(/N=C/C2=CC(OC)=C(OC)C(OC)=C2)SC3=C1CCCC3,0.0
56140,CO-ADD:0158043,0.33,O=C(C/C(C)=N/NC(C1=CC(O)=C(O)C=C1)=O)N2CCN(C)CC2,0.0
56141,CO-ADD:0156959,0.33,N#CC1=C(SC/C=C/C2=CC=CC=C2)N=C(N)N=C1SC,0.0
56142,CO-ADD:0157680,0.33,ClC1=C(C)C(/C=N/C2=CC=C(OC)C=C2)=C(O)C(Br)=C1C,0.0
56143,CO-ADD:0157736,0.33,O=C(N/N=C/C1=CC=CC=C1OCC2=CC=C(C=C2)Cl)CCSC3=CC=C(Cl)C=C3,0.0
56144,CO-ADD:0157420,0.33,O=C(/C1=C/C2=C(OC)C(Cl)=CC(Cl)=C2)N(N=C1C)C3=CC(F)=CC=C3,0.0
56145,CO-ADD:0217024,0.33,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc2ccc(c3c2\C=N\c4cccc(C)c4)cccc3,0.0
56146,CO-ADD:0217360,0.33,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(ccc2c(cccc3C(O)=O)c3)o2)nc4Nc5ccccc5)n4,0.0
56147,CO-ADD:0157143,0.33,O=C(NCCCCCCCC)C1C(C2=CC=CC=C2)(C3=CC=CC=C3)C1,0.0
56148,CO-ADD:0157159,0.33,O=C(CC(C)C)N/N=C/C1=CC(OCC)=C(OCC2=CC=CC=C2)C=C1,0.0
56149,CO-ADD:0157482,0.32,O=C(NC1=CC=C(C=C1)C(C=C2)=CC=C2NC(C3C4CCCCC34)=O)C5C6CCCCC56,0.0
56150,CO-ADD:0300433,0.32,N1(CC)C(=O)C(N(Cc2cccs2)C1=S)CC(=O)Nc(cc3)ccc3OC,0.0
56151,CO-ADD:0300305,0.32,N(C)(C(=O)C(Cc(cc(OC)c(c1)OC)c1OC)C(N2C)=O)C2=O,0.0
56152,CO-ADD:0157138,0.32,O=C(COC1=CC=CC(Cl)=C1)N/N=C/C2=CC=C(O)C=C2,0.0
56153,CO-ADD:0156986,0.32,N#CC1=C(SCC(N)=O)N=C(CC)C(C)=C1,0.0
56154,CO-ADD:0304422,0.32,N1(CC=C)C(=S)NN=C1c(cccn2)c2,0.0
56155,CO-ADD:0157242,0.32,O=C1OC(C(C=CC=C2)=C2Cl)=N/C1=C\C(C=C3)=CC=C3C,0.0
56156,CO-ADD:0300715,0.32,P(c1ccc(cc1)C)(c2ccc(cc2)C)(=[Se])\C(\C(C)(C)C)=C/Sc(cc3)ccc3Cl,0.0
56157,CO-ADD:0305250,0.32,c1(N(CC2)CCN2C\C=C/c3ccccc3)scc(c4ccc(cc4)F)n1,0.0
56158,CO-ADD:0163638,0.32,c1(\C=N\NC(COc(ccc(c2C)C)c2)=O)c(O)ccc(cccc3)c13,0.0
56159,CO-ADD:0304493,0.32,n1(c2c(nn1)cccc2)C(=O)C(CC)c3ccccc3,0.0
56160,CO-ADD:0156956,0.32,N#CC1=C(N)OC(C)=C(C(OC)=O)C1C2=CC([N+]([O-])=O)=CS2,0.0
56161,CO-ADD:0305080,0.32,c1(C#N)c(COC)cc(nc1OCC(c2ccccc2)=O)C,0.0
56162,CO-ADD:0301054,0.32,C(C(C)(C)O)#Cc(cc1)ccc1C(=O)NCc(cc2)ccc2OC,0.0
56163,CO-ADD:0157699,0.32,N#CC1=C(N)OC(NN=C2C)=C2C1C3=CC=CC=C3C,0.0
56164,CO-ADD:0158091,0.32,O=C(CN1CCCCC1)N/N=C/C2=CC=C(C=C2)OCC3=CC=CC=C3,0.0
56165,CO-ADD:0217088,0.32,N(/C1=C(CCC1)C#N)=C(/CCCC2)\N2C,0.0
56166,CO-ADD:0216929,0.32,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)Nc(ccc(c23)cccc2)c3,0.0
56167,CO-ADD:0217357,0.32,c1(C(=O)N\N=C\C(\C)=C\c2ccco2)nn(c(c3ccccc3)n1)c4ccccc4,0.0
56168,CO-ADD:0304609,0.32,n(ccc(c1)C)(c2)c1cc2c(ccc(c34)OCO3)c4,0.0
56169,CO-ADD:0304569,0.32,c1(c2ccc(cc2Cl)Cl)n[nH]c(O)c1,0.0
56170,CO-ADD:0304705,0.32,n1c(Cl)[nH]nc1Cl,0.0
56171,CO-ADD:0157219,0.32,O=C1C(N2CCOCC2)=C(N(C3=CC=C(Br)C=C3)C(C)=O)C(C4=C1C=CC=C4)=O,0.0
56172,CO-ADD:0157140,0.32,O=C(N/N=C(C)/CC(NC1=CC(Cl)=C(Cl)C=C1)=O)C2=CC=CC=C2O,0.0
56173,CO-ADD:0157285,0.32,O=C(NC1=C(C=CC=C1)C(N/N=C/C2=CC=CO2)=O)C3=CC=CC=C3Cl,0.0
56174,CO-ADD:0157245,0.32,[O-][N+](C1=C(O)C(/C=N/C2=CC=C3C(N=C(C(C=C4)=CC=C4C(C)(C)C)O3)=C2)=CC=C1)=O,0.0
56175,CO-ADD:0217394,0.32,n1c(N2CCCC2)nc(nc1N(CC3)CCO3)N\N=C/c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
56176,CO-ADD:0217258,0.32,C(=O)(C\C(\C)=N\NC(COC)=O)Nc1ccccc1CC,0.0
56177,CO-ADD:0217161,0.32,c1(C#N)c(c2ccc(cc2)OC)c3c(nc1SCC(=O)Nc(cccc4[N+](=O)[O-])c4)CCCC3,0.0
56178,CO-ADD:0216993,0.32,[N+](=O)([O-])c1ccccc1\C=N\NC(CSCc2ccccc2C)=O,0.0
56179,CO-ADD:0217338,0.32,n1c2c(oc1c3ccc(cc3)\N=C\c4c(O)cc(c(Cl)c4C)C)cc(C)c(C)c2,0.0
56180,CO-ADD:0157490,0.32,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC3=CC=C(CCCC)C=C3,0.0
56181,CO-ADD:0157538,0.32,O=C(OCC)C1=C(CN2CCN(C3=CC=CC=C3)CC2)N(C4=C1C=C(O)C(Br)=C4)CC5=CC=CC=C5,0.0
56182,CO-ADD:0157794,0.32,[O-][N+](C1=C(O)C(/C=N/C2=CC=C(C=C2)C3=NC(C=C4)=C(C=C4C)O3)=CC(C)=C1)=O,0.0
56183,CO-ADD:0157849,0.32,[O-][N+](C(C=C1)=CC=C1/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCCC4)=N2)=O,0.0
56184,CO-ADD:0304755,0.32,N1(CC(N)=O)c2c(c3C1=O)c(ccc2)ccc3,0.0
56185,CO-ADD:0300956,0.32,S(N)(=O)(=O)c1ccc(c(C)c1Cl)Cl,0.0
56186,CO-ADD:0300869,0.32,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3,0.0
56188,CO-ADD:0300494,0.32,N1(c2ccccc2)C(=O)CSC13CCC(CC3)CC,0.0
56189,CO-ADD:0300846,0.32,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)OCc2cccc(OC)c2,0.0
56190,CO-ADD:0300272,0.31,c1(cc(ccc1NC(=O)Cc2cccs2)Cc(ccc(c3C(O)=O)NC(=O)Cc4cccs4)c3)C(O)=O,0.0
56191,CO-ADD:0304528,0.31,c(c(C)nc(c1C#N)SCC(OCc2ccccc2)=O)(C(=O)Nc3ccccc3C)c1c4ccc(cc4)F,0.0
56192,CO-ADD:0217670,0.31,C(=O)(N\N=C\c1ccccc1OC)c2ccc(cc2)NC(CCCCC)=O,0.0
56193,CO-ADD:0217398,0.31,c1(c2ccc(cc2)I)ccc(\C=N\NC(=O)c(cccn3)c3)o1,0.0
56194,CO-ADD:0217414,0.31,c1(Br)oc(cc1Br)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O,0.0
56195,CO-ADD:0216983,0.31,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)N\N=C\c(ccc(c3OC)OCc4ccccc4)c3,0.0
56196,CO-ADD:0216999,0.31,C(=O)(C\C(\C)=N\NC(COc(cc1)ccc1Br)=O)Nc2cc(C)ccc2OC,0.0
56197,CO-ADD:0217031,0.31,n1c(c2ccc(cc2)Cl)c(sc1\N=C\c3ccccc3O)C,0.0
56198,CO-ADD:0217327,0.31,c(Nc1ccccc1)(nc(N\N=C/c(ccc2c3ccc(cc3)Br)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
56199,CO-ADD:0305267,0.31,c12c(C(N(C)C(=O)N1C)=O)n(c3n2)CC(=NN3C)c4cccc(OC)c4,0.0
56200,CO-ADD:0300790,0.31,c12c(ccc3c1OC(=O)C=C3C)occ2Nc(ccc(c4Cl)Br)c4,0.0
56201,CO-ADD:0305239,0.31,n1(CC(CNCCOc2ccccc2)O)c3c(c(cccc4)c14)cccc3.Cl,0.0
56202,CO-ADD:0304560,0.31,C(C(OCC)=O)(C1c(cc2)ccn2)=C(C)N(C(C)=C1C(OCC)=O)C,0.0
56203,CO-ADD:0304704,0.31,c([N+](=O)[O-])(n1)nc(n1C(N)=O)N,0.0
56204,CO-ADD:0304801,0.31,n(c(c(cc1)ccc1C(NCCO)=O)c2c(c3Nc(cc4)ccc4O)cccc2)n3,0.0
56205,CO-ADD:0217222,0.31,c1(cc(ccc1O)Cc(ccc(c2\C=N\c(cc3)ccc3C(C)=O)O)c2)\C=N\c(cc4)ccc4C(C)=O,0.0
56206,CO-ADD:0217430,0.31,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(ccc4c(ccc(c5Cl)F)c5)o4,0.0
56207,CO-ADD:0217254,0.31,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)C)Nc2ccccc2CC,0.0
56208,CO-ADD:0217643,0.31,c1(\C=N\NC(COc(cc2)ccc2CCCC)=O)c[nH]c(ccc(Br)c3)c13,0.0
56209,CO-ADD:0215012,0.31,c1(ccccc1O)C(=O)N\N=C\c(cc2)cc(c23)ccc(OC)c3,0.0
56210,CO-ADD:0157518,0.31,OC1=C(C=CC=C1)/C=N/C2=CC=CC(C3=NC(C=C4)=C(C=C4C)O3)=C2,0.0
56211,CO-ADD:0300806,0.31,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(cc5)OCC)cccc4,0.0
56212,CO-ADD:0300838,0.31,c12n(ncc1c3ccccc3)c(c(C)c(C)n2)C(C)(C)C,0.0
56213,CO-ADD:0157846,0.31,O=C1/C(N=C(C(C=C2)=CC=C2F)O1)=C/C(C)=C/C3=CC=CC=C3,0.0
56214,CO-ADD:0157183,0.31,O=C1OC(C2=CC=CC=C2F)=N/C1=C\C(C=CC=C3)=C3C,0.0
56215,CO-ADD:0304649,0.31,n(c(N)cc(n1)O)c1SCC(=O)Nc2c(C)cccc2C,0.0
56216,CO-ADD:0163115,0.31,c1(C(OCC)=O)sc(c2c1NC(CSc3ccccc3)=O)CCCC2,0.0
56217,CO-ADD:0163244,0.31,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C/c(ccc2c(ccc(c3Cl)Cl)c3)o2)nc4Nc(cc5)ccc5OC)n4,0.0
56218,CO-ADD:0305248,0.31,S(=O)(=O)(c1ccc(cc1)CCNC(=O)c2ccc(cc2OC)SC)N3CCCC3,0.0
56219,CO-ADD:0216883,0.31,C(C(C)SCc1ccccc1)(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
56220,CO-ADD:0217409,0.31,[N+](=O)([O-])c(cc1)cc(c1c2ccc(\C=N\Nc3ccccc3)o2)Cl,0.0
56221,CO-ADD:0217126,0.31,C(C(=O)OCc1ccccc1)(=C(C)OC(=C2C#N)N)C2c3ccc(cc3)CC,0.0
56222,CO-ADD:0216958,0.31,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)C(NCCC)=O,0.0
56223,CO-ADD:0157571,0.31,O=C1C2=C(CC(C)(C)C1)OC3=C(C=CC=C3)C2C4=C(O)CC(C)(C)CC4=O,0.0
56224,CO-ADD:0300587,0.31,C(C(OCCOC(C)C)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(cc3OC)OC,0.0
56225,CO-ADD:0163684,0.31,c1(c2ccc(cc2)Br)ccc(\C=N\NC(=O)CC#N)o1,0.0
56226,CO-ADD:0304797,0.31,N1C(CC(C)CC2(C)C)(C2)NN(C)C1=S,0.0
56227,CO-ADD:0304570,0.3,C1(OCC(CO1)(C)C)(c2c(N3CN(CC4)CCC4C(OCC)=O)cccc2)C3=O,0.0
56228,CO-ADD:0217586,0.3,s1c(\C=N\NC(COc(ccc(c2C)C)c2)=O)ccc1Br,0.0
56229,CO-ADD:0217650,0.3,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(=O)c4ccc(cc4)OCC=C,0.0
56230,CO-ADD:0217591,0.3,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(=O)c4ccc(cc4)Cl.CC(=O)O,0.0
56231,CO-ADD:0215197,0.3,C(OCCCCCCCCCC)(=O)c1cccc(c1)NC(CCC(O)=O)=O,0.0
56232,CO-ADD:0215557,0.3,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\Nc(cc3)ccc3[N+](=O)[O-],0.0
56233,CO-ADD:0215245,0.3,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3OC,0.0
56234,CO-ADD:0217022,0.3,C(CSCc1ccccc1Br)(=O)N\N=C\c(cc2)ccc2OC(C3)CS3,0.0
56235,CO-ADD:0217334,0.3,c1(c(cccn2)c2)oc(c3n1)ccc(c3)\N=C\c4cccc(I)c4O,0.0
56236,CO-ADD:0216987,0.3,C(CSCc1ccccc1C)(=O)N\N=C\c(cc2)ccc2F,0.0
56237,CO-ADD:0217329,0.3,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)N\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
56238,CO-ADD:0300778,0.3,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)OCC(c4ccccc4)=O)c1C)cc(OC)cc3,0.0
56239,CO-ADD:0300602,0.3,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c(ccc(c2[N+](=O)[O-])Cl)c2,0.0
56240,CO-ADD:0305337,0.3,N1(C)C(\C=C\c(c2c([nH]3)cccc2)c3)=Nc(c4C1=O)cccc4,0.0
56241,CO-ADD:0305345,0.3,C1(\C=C(\c2c(N3)ccc(Br)c2)/C3=O)=Nc(cccc4)c4C(=O)N1C,0.0
56242,CO-ADD:0305161,0.3,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2cccc(C)c2,0.0
56243,CO-ADD:0163116,0.3,c12c(sc3c1CC\C(\C3)=N/O)N=C(CCCCC4)N4C2=O,0.0
56244,CO-ADD:0304940,0.3,C1(=S)Nc2c(c3N1)c(ccc2)ccc3,0.0
56245,CO-ADD:0216847,0.3,C(=O)(N(C(C)C)C(C)C)C\C(\C)=N\NC(=O)C(=O)Nc1ccccc1C,0.0
56246,CO-ADD:0217275,0.3,C(/C1CC1)(\C=C\c2cccc(F)c2)=C(/C#N)\C#N,0.0
56247,CO-ADD:0217588,0.3,s1c(\C=N\NC(COc(cc2)ccc2Br)=O)ccc1Br,0.0
56248,CO-ADD:0216876,0.3,C([C@H](NC(=O)C)CCO1)[C@H]1c(c(c2)Cl)ccc2F,0.0
56249,CO-ADD:0215061,0.3,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc2c(OC)ccc(Cl)c2,0.0
56250,CO-ADD:0215250,0.3,N1=C(c(cc2)ccc2c3ccccc3)CC(c4ccccc4)N1c5ccccc5,0.0
56251,CO-ADD:0217382,0.3,n1c2c(sc1c3ccc(cc3)\N=C\c(cc4)ccc4Cl)ccc(C)c2,0.0
56252,CO-ADD:0217011,0.3,C(CSCc1ccccc1C)(=O)N\N=C\c(cc2)ccc2OC,0.0
56253,CO-ADD:0217379,0.3,c1(\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)c3c([nH]c1C)cccc3,0.0
56254,CO-ADD:0217148,0.3,C(\C(\CCC1)=C\c2cccs2)(O3)=C1C(C(C#N)=C3N)c4cccs4,0.0
56255,CO-ADD:0300635,0.3,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c(cc2OCC)cc(c2OC)Br,0.0
56256,CO-ADD:0300564,0.3,c1(nnc(COc(cc2)ccc2Br)s1)NC(=O)c3ccc(c(OC)c3)OC,0.0
56257,CO-ADD:0305095,0.3,c1([nH]nnn1)n(ncc2[N+](=O)[O-])c2,0.0
56258,CO-ADD:0300849,0.3,[N+](=O)([O-])c1cccc(Cl)c1NCCCN.Cl,0.0
56259,CO-ADD:0300289,0.3,N1(c2cccc(OC)c2)C(=O)\C(=C\c(ccs3)c3)\C(NC1=S)=O,0.0
56260,CO-ADD:0301068,0.3,[N+](=O)([O-])c1ccc(cc1)\C=N\c2ccccc2C3CC3,0.0
56261,CO-ADD:0301188,0.29,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(cc(n4c5cc(C)cc(C)c5)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
56262,CO-ADD:0163031,0.29,C(C(OC)=O)C(C)(N)c1ccc(cc1)OCC.Cl,0.0
56263,CO-ADD:0217644,0.29,n1c2c(cccc2)ccc1C(=O)N\N=C\c3cc(Br)ccc3OCCC,0.0
56264,CO-ADD:0217268,0.29,C(=O)(N\N=C\c(ccc(c1OCC)OCCC)c1)C(=O)NCc(cccn2)c2,0.0
56265,CO-ADD:0217480,0.29,c1(Nc2ccccc2)nc(N\N=C/c3cc(OCO4)c4cc3[N+](=O)[O-])nc(NCc5ccccc5)n1,0.0
56266,CO-ADD:0217513,0.29,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(cc4)ccc4C(OC)=O,0.0
56267,CO-ADD:0305043,0.29,c(C(=O)N(CC)CC)(c1N)sc2c1cc(c3n2)CCC3,0.0
56268,CO-ADD:0300914,0.29,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCOc(cc4)ccc4Cl,0.0
56269,CO-ADD:0300290,0.29,N1(c2ccccc2)C(=O)NC(\C(=C/c3ccc(c(cccc4)c34)OC)\C1=O)=O,0.0
56270,CO-ADD:0300875,0.29,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc(ccc(c4OC)OC)c4,0.0
56271,CO-ADD:0157515,0.29,O=C(N/N=C/C1=C(OCCC)C=C(OCCC)C=C1)C2=CC=CC(I)=C2,0.0
56272,CO-ADD:0163264,0.29,C(=O)(N\N=C\c(cc1)ccc1F)c2ccc(cc2)NC(CCCCC)=O,0.0
56273,CO-ADD:0163032,0.29,C(c1ccc(cc1)OC)(CC(O)=O)CC(N)=O,0.0
56275,CO-ADD:0163680,0.29,C(=O)(N\N=C\c1ccccc1O)C(=O)Nc2ccccc2OCC,0.0
56276,CO-ADD:0304531,0.29,c1(c(C#N)c(SCCCCBr)nc(C)c1C(=O)Nc2ccccc2OC)c3ccc(C)o3,0.0
56277,CO-ADD:0304699,0.29,c1(nncn1N)n2cccn2,0.0
56278,CO-ADD:0300573,0.29,N(CC1)(CCN1c2ccccc2)C(=O)CN(CC3)CCO3,0.0
56279,CO-ADD:0157611,0.29,O=C(N1C)/C(C2=C1C=CC(C)=C2)=N/NC(COC(C(Br)=C3)=C(OC)C=C3Br)=O,0.0
56280,CO-ADD:0157320,0.29,O=C(NC(C)C1=CC=CC=C1)NCCCCCCNC(NC(C)C2=CC=CC=C2)=O,0.0
56281,CO-ADD:0157208,0.29,OC1=C(C(OC)=CC=C1)/C=N/C2=CC3=C(C=C2)N=CN3,0.0
56282,CO-ADD:0157543,0.29,O=C(NC(C)C1=CC=CC=C1)C2=CC=C(C=C2)C(SC3)N(CC4=CC=CC=C4)C3=O,0.0
56283,CO-ADD:0301099,0.29,N1(c2ccc(c(C)c2)C)C(c3ccccc3OCc4ccccc4)N(N=C1C(C)=O)c5ccccc5,0.0
56284,CO-ADD:0300555,0.29,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5cc(C)ccc5C)cccc4,0.0
56285,CO-ADD:0157779,0.29,[O-][N+](C1=C(OC)C=CC(/C=N/NC(C2C(C3=CC=CC=C3)(C4=CC=CC=C4)C2)=O)=C1)=O,0.0
56286,CO-ADD:0301174,0.29,C(C(F)(F)F)(C(F)(F)F)(NC(OCC)=O)Nc1sc(c(CC)c1C(OC)=O)C,0.0
56287,CO-ADD:0301191,0.29,N1(C2c3cccc(OC)c3)C(S\C(=C\c4cccc(F)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
56288,CO-ADD:0300960,0.29,s1c(N)nnc1SCc2cccc(Br)c2,0.0
56289,CO-ADD:0163225,0.29,c1(NC(CCl)=O)sc(c2c1C(OCC)=O)CCCC2,0.0
56290,CO-ADD:0163257,0.29,C(CNc(cc1)ccc1I)(=O)N\N=C\c2cccc(OC)c2,0.0
56291,CO-ADD:0163609,0.29,N(=C(/C)\c1ccc(cc1)Br)/NC(COc(ccc(c2C)C)c2)=O,0.0
56292,CO-ADD:0163530,0.29,c12n(c3c(cc(cc3)C)n1)c(cc(C)c2C#N)Nc(cc4)ccc4N=Nc5ccccc5,0.0
56293,CO-ADD:0163570,0.29,C(=O)(Oc1ccccc1\C=N\NC(=O)c(cccn2)c2)c3ccco3,0.0
56294,CO-ADD:0163267,0.29,n1c2c(cccc2)ccc1C(=O)N\N=C\c3cccc(OC)c3OC,0.0
56295,CO-ADD:0217738,0.29,C(OCCCC)(=O)c1ccc(cc1)NC(CC)=O,0.0
56296,CO-ADD:0215363,0.29,C(C(=O)OC(C)C)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3ccccc3Cl,0.0
56297,CO-ADD:0300774,0.29,n1(c2ccccc2)c(S)nnc1C(C)c3ccc(cc3)CC(C)C,0.0
56298,CO-ADD:0300283,0.29,C(=C/c1ccc(cc1OC)OC)(/C(=O)NC(N2CC)=S)\C2=O,0.0
56299,CO-ADD:0157795,0.29,[O-][N+](C1=C(O)C(/C=N/C2=CC=C(C=C2)C3=NC(C=CC=C4)=C4O3)=CC(C)=C1)=O,0.0
56300,CO-ADD:0157767,0.29,O=C(NCC(N/N=C/C1=CC=CC(Cl)=C1)=O)C2=CC(OC)=C(OC)C=C2,0.0
56301,CO-ADD:0300324,0.29,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccc(c(OC)c2OC)OC)N3CCCCC3C,0.0
56302,CO-ADD:0157588,0.29,O=C(C1=C2C=CC(C(OCCCCC)=O)=C1)N(C(C=C3)=CC=C3C)C2=O,0.0
56303,CO-ADD:0163653,0.29,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)Cc2cccc(cccc3)c23)OC)c1,0.0
56304,CO-ADD:0304716,0.29,N1(CCc2scc(c3ccccc3)n2)C(=O)c4c(cccc4)C1=O,0.0
56305,CO-ADD:0163283,0.29,c1(\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)cc(OC)ccc1O,0.0
56306,CO-ADD:0163579,0.29,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(=O)Cc2cccc(cccc3)c23)C(C)(C)C,0.0
56307,CO-ADD:0163627,0.29,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(COc2ccc(cc2Br)OC)=O)c1,0.0
56308,CO-ADD:0163051,0.29,c1(C#N)c(c(cc2)ccc2C(OC)=O)c3c(nc1N)CCCCC3,0.0
56309,CO-ADD:0215459,0.28,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c2ccc(cc2OC)OC,0.0
56310,CO-ADD:0214998,0.28,[N+](=O)([O-])c(cc1)ccc1c2ccc(cc2)NC(=O)Nc(cc3)ccc3Cl,0.0
56311,CO-ADD:0215022,0.28,N1(c2cccc(c2)C#C)C(=O)c3c(cc(cc3)Oc(cc4)ccc4C(O)=O)C1=O,0.0
56312,CO-ADD:0215062,0.28,C(=O)(C\C(\C)=N\NC(COc(cc1)ccc1C)=O)Nc2ccc(cc2OC)OC,0.0
56313,CO-ADD:0215552,0.28,n1c(c(cc2)ccc2c3ccccc3)csc1N\N=C\c4ccc(cc4OC)OC,0.0
56314,CO-ADD:0300599,0.28,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)Br)cccc4,0.0
56315,CO-ADD:0300412,0.28,c1(ccc(cc1)Br)c2ccc(cc2)Br,0.0
56316,CO-ADD:0157073,0.28,O=C(CN1CCN(CCO)CC1)NC(C=C2)=CC=C2NC(CN3CCN(CCO)CC3)=O,0.0
56317,CO-ADD:0300413,0.28,n1c(O)cc(nc1SCC(=O)Nc(cc2)ccc2C#N)CCC,0.0
56318,CO-ADD:0157772,0.28,O=C(NCC(N/N=C/C1=CC=C(C(OC)=C1)OC)=O)C2=CC(OC)=C(OC)C=C2,0.0
56319,CO-ADD:0157137,0.28,O=C(NC1=CC=C(F)C=C1)C/C(C)=N/NC(CC2=CC=C(Cl)C=C2)=O,0.0
56320,CO-ADD:0300969,0.28,C(=O)(CC1(CCCCC1)CC(O)=O)Nc2cc(Cl)cc(Cl)c2,0.0
56321,CO-ADD:0300482,0.28,N1(c2ccc(cc2)OC)C(CC)(CC)Nc(c3C1=O)cccc3,0.0
56322,CO-ADD:0157261,0.28,O=C(N/N=C(C)/C(C=C1)=CC=C1OCC2=CC=C(Cl)C=C2)C3=CC(Br)=CC=C3O,0.0
56323,CO-ADD:0160298,0.28,[O-][N+](C1=CC(/C=N/NC(CNC(C=CC=C2)=C2OC)=O)=C(N3CCCCCC3)C=C1)=O,0.0
56324,CO-ADD:0157545,0.28,NC1=C(C(OCC)=O)C(C)=NN1C2=CC=CC=C2,0.0
56325,CO-ADD:0158429,0.28,O=C(C(C=C1)=CC=C1NC(C2=CC=C(C)C=C2)=O)N(CC)C3=CC=CC=C3,0.0
56326,CO-ADD:0158340,0.28,[O-][N+](C1=CC=C(C=C1)N(N=C/2C3=CC=CC=C3)C(C2=C/C(C=C4)=CC=C4OC)=O)=O,0.0
56327,CO-ADD:0158493,0.28,[O-][N+](C(C=C1)=CC=C1C(OC/2=O)=NC2=C/C3=CC=C(C(C=C4)=CC=C4C(OC)=O)O3)=O,0.0
56328,CO-ADD:0215236,0.28,C(CNc(cc1)ccc1Cl)(=O)N\N=C/c2ccco2,0.0
56329,CO-ADD:0214988,0.28,C(/C(=O)c1ccc(cc1)Br)=C\c2cccs2,0.0
56330,CO-ADD:0215023,0.28,N1(c2cccc(c2)C#C)C(=O)c(c3C1=O)ccc(C(=O)c(cc4)ccc4C(O)=O)c3,0.0
56331,CO-ADD:0300607,0.28,C(C(OCCOC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c(OC)c3)OCC,0.0
56332,CO-ADD:0157214,0.28,O=C(C1=CC=C(C(NC(COC2=CC=CC=C2C)=O)=C1)Cl)NC3=CC(Cl)=C(Cl)C=C3Cl,0.0
56333,CO-ADD:0157230,0.28,O=C(COC1=CC=CC(Cl)=C1)N/N=C(C)\C2=CC=C(Cl)C=C2,0.0
56334,CO-ADD:0300647,0.28,C1(c2cc3c(cc2Cl)OCO3)C(=CNC=C1C(OC)=O)C(OC)=O,0.0
56335,CO-ADD:0157238,0.28,[O-][N+](C1=CC=CC(C2=CC=C(/C=N/C3=CC=C4C(N=C(C5=CC(C)=CC=C5)O4)=C3)O2)=C1)=O,0.0
56336,CO-ADD:0157528,0.28,O=C(CSCC(C1=CC=C(C2=CC=CC=C2)C=C1)=O)NC3=CC=C4C=CC=CC4=C3,0.0
56337,CO-ADD:0157624,0.28,O=C(C1=CC=CC(C(NC2=CC=C(C=C2)C(O)=O)=O)=C1)NC3=CC=C(C=C3)C(O)=O,0.0
56338,CO-ADD:0157880,0.28,O=C(N/N=C/C1=C(OCCC)C=C(OCCC)C=C1)C(C=C2)=CC=C2OC,0.0
56339,CO-ADD:0157808,0.28,[O-][N+](C1=C(O)C(/C=N/C2=CC(C3=NC(C=C4)=C(C=C4C)O3)=C(Cl)C=C2)=CC(C)=C1)=O,0.0
56340,CO-ADD:0163685,0.28,C(F)(F)(F)c(cccc1NC(=O)C(NCCCCCCCCCCCC)=O)c1,0.0
56341,CO-ADD:0163693,0.28,n1(c2ccccc2)nnnc1N\N=C\c(cccc3[N+](=O)[O-])c3,0.0
56342,CO-ADD:0300706,0.28,N1(CN(CC2)CCN2C(c3ccccc3)c4ccccc4)N=C(N(C)C1=S)Cc5ccccc5,0.0
56343,CO-ADD:0300417,0.28,C1(c2ccccc2)(OC(C)=O)C(C)CN(C(C)C1)CCC.Cl,0.0
56344,CO-ADD:0300866,0.28,S(c1ccccc1)(=O)(=O)N(CC2)C(C)CN2c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
56345,CO-ADD:0158350,0.28,FC1=C(C=CC=C1)N(C(C2=CC=C(Br)C=C2)C3)N=C3C4=CC=C(Cl)C=C4,0.0
56346,CO-ADD:0157934,0.28,O=C1OC(C(C=CC=C2)=C2F)=N/C1=C\C3=CC(Br)=C(OC)C=C3,0.0
56347,CO-ADD:0304773,0.28,C(=CC(\C=C\c(ccc(c1OCC)OCc2ccccc2)c1)=NC3=O)(C(F)(F)F)N3,0.0
56348,CO-ADD:0157166,0.28,O=C(COC(C=C1)=CC=C1OC)N/N=C/C2=C(C=CC=C3)C3=CC=C2OCC,0.0
56349,CO-ADD:0215055,0.28,N1(c2ccc(c(C)c2)C)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
56350,CO-ADD:0215457,0.28,C(CSCc1ccccc1Br)(=O)N\N=C\c(cc2)ccc2C,0.0
56351,CO-ADD:0215074,0.28,N(\C(=C\c1cc(OC)ccc1OC)\C(O2)=O)=C2c3ccccc3,0.0
56352,CO-ADD:0215186,0.28,c1(ccccc1C(=O)OCC(c2ccccc2)=O)c3ccccc3C(=O)OCC(c4ccccc4)=O,0.0
56353,CO-ADD:0215746,0.28,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)N\N=C\c(cc3)ccc3C(C)C,0.0
56354,CO-ADD:0305222,0.28,C1(OCC(CO1)(C)CC)(c2c(N3CN(CC4)CCO4)cccc2)C3=O,0.0
56355,CO-ADD:0305254,0.28,S(=O)(=O)(N(C)C)N(C)c1ccc(cc1)O,0.0
56356,CO-ADD:0304858,0.27,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccccc4)n1Cc(ccc(c56)OCO5)c6,0.0
56357,CO-ADD:0301098,0.27,N1(c(cc2)ccc2N(C)C)C(c3ccccc3OCc4ccccc4)N(N=C1C(C)=O)c5ccc(cc5)C,0.0
56358,CO-ADD:0158222,0.27,O=C1C2=C(N=CN1)N=C3SCCN23,0.0
56359,CO-ADD:0158481,0.27,O=S(C1=C(Cl)C=CC(Cl)=C1)(NC2=CC=CC=C2OC)=O,0.0
56360,CO-ADD:0158402,0.27,O=C(C1CCCCC1)NNC(CCCCCCC)=O,0.0
56361,CO-ADD:0156905,0.27,NC1=NON=C1C2=NC3=C(C=CC=C3)N2CC(OCC)=O,0.0
56362,CO-ADD:0158343,0.27,[O-][N+](C1=CC(/C=N/NC(/C(NC(C2=CC=CC=C2)=O)=C/C3=CC=C(OCCC)C=C3)=O)=CC=C1)=O,0.0
56363,CO-ADD:0158383,0.27,CN(C)C(C=C1)=CC=C1/C=N/N=C2C3=NON=C3CCC\2,0.0
56364,CO-ADD:0217647,0.27,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)C(C)Oc2cccc(cccn3)c23)O)c1,0.0
56365,CO-ADD:0217439,0.27,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2ccco2,0.0
56366,CO-ADD:0215210,0.27,c1(C(=O)N\N=C\c(ccc(c2[N+](=O)[O-])Br)c2)nonc1N,0.0
56367,CO-ADD:0216880,0.27,C(C1c2nnc(C)o2)CNCC1.OC(C(F)(F)F)=O,0.0
56368,CO-ADD:0217280,0.27,c1(ccccc1NC(=O)c2ccco2)C(=O)N\N=C\c(cc3)ccc3Cl,0.0
56369,CO-ADD:0162206,0.27,c1(N2CCCC2)nc(N\N=C\C(\Br)=C\c3ccccc3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
56370,CO-ADD:0162318,0.27,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc(cccc2[N+](=O)[O-])c2)=O,0.0
56371,CO-ADD:0162274,0.27,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3ccccc3C#N)=O)o1,0.0
56372,CO-ADD:0154373,0.27,NC(OC1=NNC(C)=C1C2C3=C(C=CC=C3)OC)=C2C#N,0.0
56373,CO-ADD:0159758,0.27,N#CC1=C(SCC(NCCC2=CC=CC=C2)=O)N=C(C)C=C1C(F)(F)F,0.0
56374,CO-ADD:0159798,0.27,C1(N2CCCCC2)=NC(N/N=C/C3=C(C=CC=C4)C4=CC5=CC=CC=C35)=NC(N6CCCCC6)=N1,0.0
56375,CO-ADD:0159814,0.27,O=S1(/C(C(N(C2=CC=C(Cl)C=C2)C1C3=CC=C(Cl)C=C3)=O)=C/C4=CC=C(F)C=C4)=O,0.0
56376,CO-ADD:0159747,0.27,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1OC(C=C2)=CC=C2/C=N/C3=CC4=C(C=C3)OC(C(C=C5)=CC=C5F)=N4)=O,0.0
56377,CO-ADD:0159785,0.27,FC(F)(F)C1=CC=CC(/C=N/N=C2NC(N3CCOCC3)=NC(N4CCOCC4)=N\2)=C1,0.0
56378,CO-ADD:0159865,0.27,O=C(OCC)C1=C(NC(CSC2=NC(C)=CC(C)=N2)=O)SC3=C1CCCC3,0.0
56379,CO-ADD:0159773,0.27,O=C(C(C=C1)=CC=C1OCCCCCC)OC2=CC=C(C)C=C2N3N=C4C=CC=CC4=N3,0.0
56380,CO-ADD:0156045,0.27,[O-][N+](C(C=C1)=CC=C1/C=N/NC(C2=CC=C3OCCOC3=C2)=O)=O,0.0
56381,CO-ADD:0156361,0.27,[O-][N+](C1=CSC(/C(C)=N/NC(COC2=C(Br)C=C(OC)C=C2)=O)=C1)=O,0.0
56382,CO-ADD:0156088,0.27,N#CC1=CC=CC=C1OCC(N/N=C/C=C/C2=CC=CC=C2)=O,0.0
56383,CO-ADD:0154528,0.27,C1(OCC2=CC=CC=C2)=CC=C(NC=C3)C3=C1,0.0
56384,CO-ADD:0161197,0.27,c1(OC)c(OC)ccc(\C=N\NC(=O)CC(=O)N\N=C\c(ccc(c2OC)OC)c2OC)c1OC,0.0
56385,CO-ADD:0161389,0.27,n(c(SCC(=O)Nc(cccc1[N+](=O)[O-])c1)nc(n2)SCC(=O)Nc(cccc3[N+](=O)[O-])c3)c2SCC(=O)Nc(cccc4[N+](=O)[O-])c4,0.0
56386,CO-ADD:0161405,0.27,C(=N\NC(CNc(ccc(c12)cccc1)c2)=O)(/c3c(N4C)cccc3)\C4=O,0.0
56387,CO-ADD:0161817,0.27,c(Nc(cc1)ccc1OC)(nc(N\N=C\c2ccccc2OC)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
56388,CO-ADD:0161226,0.27,N1(c2sccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4c5ccccc5,0.0
56389,CO-ADD:0154282,0.27,ClC(C=C1)=CC=C1C2=CN3C=CC=CC3=N2,0.0
56390,CO-ADD:0162419,0.27,[N+](=O)([O-])c(cccc1C(=O)Nc(cc2)ccc2C(=O)Nc3ccc(cc3C)Cl)c1,0.0
56391,CO-ADD:0162435,0.27,n(c(SCC(=O)Nc(cc1)ccc1CC)nc(n2)SCC(=O)Nc(cc3)ccc3CC)c2SCC(=O)Nc(cc4)ccc4CC,0.0
56392,CO-ADD:0159902,0.27,[O-][N+](C1=CC(C)=CC=C1OCC(N/N=C/C2=CC=C(C(O)=C2)O)=O)=O,0.0
56393,CO-ADD:0159956,0.27,C1(N2CCCCC2)=NC(N/N=C/C3=CNC4=C3C=CC=C4)=NC(NC5=CC=CC=C5)=N1,0.0
56394,CO-ADD:0160444,0.27,[O-][N+](C(C=CC=C1)=C1/C=C/C=N/C2=CC(N=C(C(C=C3)=CC=C3I)O4)=C4C=C2)=O,0.0
56395,CO-ADD:0160468,0.27,O=C(C1=CC=C(Cl)C=C1)NC(C=CC=C2)=C2NC(C(C=C3)=CC=C3Cl)=O,0.0
56396,CO-ADD:0160042,0.27,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C3C(NC4=CC=CC=C\34)=O)=NC(N5CCCCC5)=N2)=O,0.0
56397,CO-ADD:0159802,0.27,CC1=C(CN2CCCCC2)C(CN3CCCCC3)=C(C)S1,0.0
56398,CO-ADD:0159837,0.27,BrC1=CC=CC(N(C(C(C=CC=C2)=C2OC)C3)N=C3C4=CC=C(Cl)C=C4)=C1,0.0
56399,CO-ADD:0159909,0.27,O=C(COC(C=C1)=CC=C1Br)N/N=C(C)/CC(NCCC2=CC=CC=C2)=O,0.0
56400,CO-ADD:0159877,0.27,O=C(NC1=CC=C(C=C1)C(C)=O)C2=CC=CS2,0.0
56401,CO-ADD:0156117,0.27,O=C(C1=CC=C(Cl)C=C1)OC2=C(C3=CC=CC=C3C=C2)/C=N/N(C)C4=CC=CC=C4,0.0
56402,CO-ADD:0154819,0.26,O=S(NC1=CC=C(CC2=CC=C(C=C2)NS(C3=CC=C(C)C=C3)(=O)=O)C=C1)(C(C=C4)=CC=C4C)=O,0.0
56403,CO-ADD:0161234,0.26,c1(N2CCCC2)nc(c3ccccc3)nc(c4c(cccc4)CC56CCCCC5)c16,0.0
56404,CO-ADD:0163002,0.26,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3ccccc3,0.0
56405,CO-ADD:0161366,0.26,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCCCC(=O)c3ccc(cc3)F)c4cccs4,0.0
56406,CO-ADD:0161848,0.26,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)ccc4OC(c5ccccc5)=O,0.0
56407,CO-ADD:0161835,0.26,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(ccc(c2O)OC)c2)nc3Nc(cc4)ccc4OC)n3,0.0
56408,CO-ADD:0161912,0.26,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccc(cc2Br)C)=O)N(CCCC)CC)c1,0.0
56409,CO-ADD:0162763,0.26,N(=C\c1cccc(Br)c1)/NC(CCC(=O)Nc(cc2)ccc2CC)=O,0.0
56410,CO-ADD:0162859,0.26,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)C(=O)Nc2cccc(cccc3)c23,0.0
56411,CO-ADD:0162867,0.26,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)C(NCCc2ccccc2)=O,0.0
56412,CO-ADD:0162779,0.26,C(=O)(c1cccc(F)c1)N\N=C(/C)\CC(=O)Nc(cc2)ccc2F,0.0
56413,CO-ADD:0162811,0.26,N(c1ccccc1Br)C(CCC(=O)N\N=C\c(cc2)ccc2OC)=O,0.0
56414,CO-ADD:0154416,0.26,O=C(NC(SC)=N1)C21C(C3=CC=CC=C3)C2,0.0
56415,CO-ADD:0160368,0.26,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=CC=C(C=C3)N(CC)CC)=NC(N4CCCC4)=N2)=O,0.0
56416,CO-ADD:0160416,0.26,O=C(CSCC1=CC=CC=C1Cl)N/N=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl,0.0
56417,CO-ADD:0160424,0.26,O=C(C1=CC=CC=C1)NC2=CC=C(C=C2)C(N/N=C/C3=CC=C(OCCCCCCC)C=C3)=O,0.0
56418,CO-ADD:0159952,0.26,[O-][N+](C1=CC=C(OC)C(/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCOCC4)=N2)=C1)=O,0.0
56419,CO-ADD:0160464,0.26,O=C(CBr)C1=NON=C1N,0.0
56420,CO-ADD:0160529,0.26,O=C(NN=C1CCCCC1)CNC(C(Br)=C2)=C(Br)C=C2Br,0.0
56421,CO-ADD:0159885,0.26,CC1=CC=C(C)N1C(C=C2)=CC=C2C3=CC=C(C=C3)N4C(C)=CC=C4C,0.0
56422,CO-ADD:0159818,0.26,O=S1(/C(C(N(C(C=C2)=CC=C2Cl)C1C(C=C3)=CC=C3Cl)=O)=C/C(C(Cl)=C4)=CC=C4Cl)=O,0.0
56423,CO-ADD:0161598,0.26,C1(c2ccccc2F)=N\C(\C(=O)O1)=C/c(ccc3c(cccc4[N+](=O)[O-])c4)o3,0.0
56424,CO-ADD:0161111,0.26,s1c(ccc1C(NCCc2ccccc2)=O)C(NCCc3ccccc3)=O,0.0
56425,CO-ADD:0154975,0.26,N#CC1(C#N)[C@]2([H])N([C@H](C(C3(C[C@H]4C5)C[C@H]5C[C@H](C4)C3)=O)[C@H]1C6=CC=C(Br)C=C6)C7=CC=CC=C7C=C2,0.0
56426,CO-ADD:0154783,0.26,O=C(C1=CC=CC=C1)C2C(C3=CC=CC=C3)(O)CCN(C)C2,0.0
56427,CO-ADD:0155757,0.26,O=C1N(C2=CC=CC(NC(C)=O)=C2)C(C3C4C(C=CC=C5)=C5C(C6=C4C=CC=C6)C13)=O,0.0
56428,CO-ADD:0155821,0.26,[O-][N+](C1=CC(/C=C2N=C(C3=CC=CC(I)=C3)OC\2=O)=CC=C1OC)=O,0.0
56429,CO-ADD:0155589,0.26,O=C(O1)/C(C(C=C1C)=O)=C(C)\NC2=CC=CC=C2,0.0
56430,CO-ADD:0156370,0.26,S=C(NC1=O)NC(C1=CC2=CC=C(C3=CC(C)=CC([N+]([O-])=O)=C3C)O2)=O,0.0
56431,CO-ADD:0162380,0.26,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccccc2Br)=O)c3ccccc3Cl,0.0
56433,CO-ADD:0162748,0.26,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)c2ccc(c(OC)c2)OC,0.0
56434,CO-ADD:0162111,0.26,S(c1ccccc1)(=O)(=O)N2CCN(CC2C(=O)NC(C)C)S(c3ccccc3)(=O)=O,0.0
56435,CO-ADD:0161673,0.26,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
56436,CO-ADD:0161664,0.26,c1(\C=N\NC(COc(cc2)ccc2I)=O)c(OCC=C)ccc(cccc3)c13,0.0
56437,CO-ADD:0161960,0.26,C(CNc(cc1)ccc1C)(=O)N\N=C\c(cc2)ccc2Cl,0.0
56438,CO-ADD:0161643,0.26,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(ccc(n2)C)c2)c3ccccc3Cl,0.0
56439,CO-ADD:0155166,0.26,O=C(N/N=C/C1=CC=NC=C1)CNC(C(Br)=C2)=C(Br)C=C2C,0.0
56440,CO-ADD:0156523,0.26,O=C(C1=CC=CC(OC)=C1)N(C2=CC=C(OCC)C=C2)C3=NC(C(F)(F)F)=C(C4=CC=CC5=CC=CC=C45)S3,0.0
56441,CO-ADD:0155114,0.26,N#CC1=C(N)NC(C(C(N)=O)C1C2=CC=CC=C2)=S,0.0
56442,CO-ADD:0156423,0.26,S=C1NC(C(C=C2)=CC=C2C(O)=O)C(C(OCC)=O)=C(C)N1,0.0
56443,CO-ADD:0156135,0.26,O=C(S/1)NC(C1=C\C2=CC=CC(F)=C2)=O,0.0
56444,CO-ADD:0155148,0.26,O=C(C1=CC=NC=C1)N/N=C\C=C/C2=CC=C(C=C2)N(C)C,0.0
56445,CO-ADD:0156907,0.26,CC1=CC=C2C(NC3=NC4=NON=C4N=C3N2)=C1,0.0
56446,CO-ADD:0156915,0.25,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC=C(Br)O3)=C(C)N1C,0.0
56447,CO-ADD:0157427,0.25,O=C(/C1=C/C(C=CC=C2)=C2OC)N(N=C1C)C3=CC=C(Br)C=C3,0.0
56448,CO-ADD:0158052,0.25,O=C(/C=C/C1=CC(OC)=C(OC)C=C1)OC2=CC=C(C=C2)/C=N/C3=CC=CC4=CC=CC=C34,0.0
56449,CO-ADD:0160537,0.25,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCC(N/N=C\C(C)=C\C3=CC=C(C=C3)/C=C(C)\C=N\NC(CNC(C(C4=CC=CC=C4)C5=CC=CC=C5)=O)=O)=O,0.0
56450,CO-ADD:0160575,0.25,O=S(OC1=C(C=CC=C1)/C=N\NC(C2(CCC2)C(N/N=C/C(C=CC=C3)=C3OS(C(C=C4)=CC=C4[N+]([O-])=O)(=O)=O)=O)=O)(C(C=C5)=CC=C5[N+]([O-])=O)=O,0.0
56451,CO-ADD:0159983,0.25,O=C(C1=CC=C(F)C=C1)NC(C=C2)=CC=C2/N=C/C3=CC=C(C(O)=C3)O,0.0
56452,CO-ADD:0161511,0.25,N1(C(OCC)=O)c2c(OC1=S)ccc(Cl)c2,0.0
56453,CO-ADD:0160232,0.25,[O-][N+](C1=C(OCC(NC(C=CC=C2)=C2C)=O)C(Cl)=CC(Cl)=C1)=O,0.0
56454,CO-ADD:0160648,0.25,[O-][N+](C1=CC(N[C@H](OC[C@H]2O)[C@H](O)[C@H]2O)=C(C)C=C1)=O,0.0
56455,CO-ADD:0160113,0.25,O=C(N/N=C/C(C=CC=C1)=C1I)CSC2=NC(C=CC=C3)=C3N2,0.0
56456,CO-ADD:0156054,0.25,O=C(COC1=CC=CC=C1CC=C)N/N=C/C(C=C2)=CC=C2OC,0.0
56457,CO-ADD:0156254,0.25,[O-][N+](C1=C(O)C(/C=N/NC(C2=CC=NC=C2)=O)=CC([N+]([O-])=O)=C1)=O,0.0
56458,CO-ADD:0155634,0.25,S=C(N(CC=C)CC=C)OC1=CC=C(C=C1)C(NC(C=C2)=CC=C2C)=O,0.0
56459,CO-ADD:0155787,0.25,O=C(NC(C=C1)=CC=C1Cl)/C(NC(C)=O)=C/C2=CC=CC=C2,0.0
56460,CO-ADD:0156195,0.25,O=C(C(C=CC=C1)=C1C)NC2=C(C=CC=C2)C(N/N=C/C3=CNC4=C3C=CC=C4)=O,0.0
56461,CO-ADD:0155635,0.25,O=C(C1=C2C=CC=C1)N(C(C(N)=C3)=CC=C3OC4=CC=C(C=C4)N(C(C5=C6C=CC=C5)=O)C6=O)C2=O,0.0
56462,CO-ADD:0162399,0.25,n1c2c(oc1c3ccc(cc3)\N=C\c(ccc4c5ccc(cc5)F)o4)ccc(C)c2,0.0
56463,CO-ADD:0162839,0.25,c1(cc(Cl)cc(Cl)c1OCC(=O)N\N=C\c2ccc(cc2Cl)Cl)[N+](=O)[O-],0.0
56464,CO-ADD:0162437,0.25,N(\C(=C/c(ccc1I)o1)\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
56465,CO-ADD:0162804,0.25,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(\CC)/CC(C)CC)[N+](=O)[O-],0.0
56466,CO-ADD:0162085,0.25,c1(C(=O)Nc(cc(Oc(cccn2)c2)cc3[N+](=O)[O-])c3)c(Cl)c4c(cccc4)s1,0.0
56467,CO-ADD:0161931,0.25,c1(c(O)c(\C=N\c(cc2)ccc2c3sc(c4n3)cccc4)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
56468,CO-ADD:0158416,0.25,O=C(C(C=C1)=CC=C1NC(CCC)=O)N(CC)C2=CC=CC=C2,0.0
56469,CO-ADD:0155925,0.25,O=C(CSC1=NN=C(SCC(NC(C)C2=CC=CC=C2)=O)S1)NC(C)C3=CC=CC=C3,0.0
56470,CO-ADD:0156038,0.25,O=C(COC1=CC=C(OCCCCCCCC)C=C1)N/N=C/C2=CC=CC=C2OCCC,0.0
56471,CO-ADD:0155078,0.25,[O-][N+](C1=NC([N+]([O-])=O)=NN1C(CCCC2)C2=O)=O,0.0
56472,CO-ADD:0155126,0.25,O=C1/C(N=C(C2=CC=CC(C)=C2)O1)=C/C3=CC=C(C(Br)=C3)OC(C)=O,0.0
56473,CO-ADD:0155142,0.25,O=C(NCC(N/N=C/C1=CC=C2OCOC2=C1)=O)C3=CC(OC)=C(OC)C(OC)=C3,0.0
56474,CO-ADD:0157676,0.25,N#CC1=C(/N=C/C2=CC(Br)=CC=C2Br)SC3=C1CCCC3,0.0
56475,CO-ADD:0157376,0.25,O=C1N(C2=CC(Cl)=C(C)C=C2)C(C3=CC=C(NCC4=CC=CC=C4)C5=C3C1=CC=C5)=O,0.0
56476,CO-ADD:0161522,0.25,c12c(CCCC1=O)c3c(ccc(Br)c3)[nH]2,0.0
56477,CO-ADD:0161546,0.25,[N+](=O)([O-])c1ccc(c(c1)\N=C\c2cccc(O)c2)C,0.0
56478,CO-ADD:0160155,0.25,[O-][N+](C1=CC(C(OC2=CC=C(C=C2)C(OCC3=CC=CC=C3)=O)=O)=CC([N+]([O-])=O)=C1)=O,0.0
56479,CO-ADD:0160219,0.25,[O-][N+](C(N=C1)=C(SCC(O)=O)N1C)=O,0.0
56480,CO-ADD:0160227,0.25,ClC(C=C1)=CC=C1/C=N/NC2=NC(N(CC)CC)=NC(NC3=CC(C)=CC=C3C)=N2,0.0
56481,CO-ADD:0161143,0.25,N(=C\c1ccccc1)/NC(CCC(=O)Nc(cc2)ccc2Cl)=O,0.0
56482,CO-ADD:0156019,0.25,O=C1C2=C(C3=C1C=CC=C3)C(C(N4CCCCC4)=O)=CC=C2,0.0
56483,CO-ADD:0160657,0.25,S=C(N)C1=C(OC)C2=C(N=C(C(C3=CC=CC=C3)=C2)C4=CC=CC=C4)O1,0.0
56484,CO-ADD:0160281,0.25,ClC1=C(OC)C=CC(/C=N/C2=CC(N=C(C3=CC=CC(Br)=C3)O4)=C4C=C2)=C1,0.0
56485,CO-ADD:0160634,0.25,O=C(N(C(C(Cl)=C1)=CC=C1Cl)N=C/2C)C2=C/C(C=C3)=CC=C3Cl,0.0
56486,CO-ADD:0162004,0.25,S(=O)(=O)(c1ccc(cc1)NC(c2ccccc2)=O)Nc3nccnc3OC,0.0
56487,CO-ADD:0161836,0.25,C(C(=O)N\N=C\c(cc1)ccc1OCc2ccccc2)(C3)=NNC3(c4ccccc4)c5ccccc5,0.0
56488,CO-ADD:0161908,0.25,N1(CNc(ccc(c2Cl)C)c2)C(=O)\C(\SC1=S)=C/c3ccccc3,0.0
56489,CO-ADD:0162846,0.25,C(=O)(Oc(cc1)ccc1C(C)(C)c2ccc(cc2)OC(=O)Nc(ccc(c3Cl)Cl)c3)Nc(ccc(c4Cl)Cl)c4,0.0
56490,CO-ADD:0154363,0.25,CC(OC(N)=C(C1C2=CC=C(C=C2)C#N)C#N)=C1CO,0.0
56491,CO-ADD:0161754,0.25,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C/c(ccc(c23)OCO2)c3)nc4Nc5ccccc5)n4,0.0
56492,CO-ADD:0155462,0.24,O=C(C1=CC2=CC=C3OCOC3=C2)N(N=C1C)C4=CC=C(C)C=C4,0.0
56493,CO-ADD:0163946,0.24,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1Cl)C(NCCOC)=O,0.0
56494,CO-ADD:0163954,0.24,N1(c2cccc(C)c2)C(=O)c3c(cc4c(cccc4)c3)C1=O,0.0
56495,CO-ADD:0163951,0.24,C(=C/c(cc1)ccc1[N+](=O)[O-])(/C(=O)N\N=C\c2cccc(Br)c2)\C(=O)N\N=C\c3cccc(Br)c3,0.0
56496,CO-ADD:0155677,0.24,ClC(C=C(Cl)C=C1)=C1/C=N/C2=CC(C3=NC4=CC=C(C)C=C4O3)=C(O)C=C2,0.0
56497,CO-ADD:0155013,0.24,N#CC([C@@H]1C2=CC=NC=C2)=C([S-])N[C@](C3=CC=CC=C3)(O)[C@@H]1[N+]4=CC=C5C=CC=CC5=C4,0.0
56498,CO-ADD:0155061,0.24,O=S(N1C[C@]2(C(C3=CC=CC=C3)=O)CN(S(C4=CC=C(C)C=C4)(=O)=O)C[N@@](C2)C1)(C(C=C5)=CC=C5C)=O,0.0
56499,CO-ADD:0155069,0.24,O=C(C)O[C@H]1[C@H](SC2=NC=CC=C2)O[C@H](COC(C)=O)[C@@H](COC(C)=O)[C@@H]1OC(C)=O,0.0
56500,CO-ADD:0155301,0.24,S=C(OC1=CC=CC(C(NC2=CC=CC(Br)=C2)=O)=C1)NC3=CC=C(C=C3)C(C)=O,0.0
56501,CO-ADD:0161610,0.24,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c2c3c(cccc3)cc(cccc4)c24,0.0
56502,CO-ADD:0161555,0.24,C(COc(cc1)ccc1I)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
56503,CO-ADD:0161272,0.24,c1(cc(CCC2)c2n3)c3sc(c(c(C#N)c(N)n4)c5ccc(cc5)Br)c14,0.0
56504,CO-ADD:0161584,0.24,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(COc(cc2)ccc2C)=O,0.0
56505,CO-ADD:0161532,0.24,c(cc(Br)cc1Br)(\C=N\c(ccc(c2OC)OC)c2)c1O,0.0
56506,CO-ADD:0161276,0.24,C(C#N)(C1c2ccc(cc2)SC)=C(N)SC(N)=C1C#N,0.0
56507,CO-ADD:0155469,0.24,[O-][N+](C1=CC(N/C=C2C(N(C3=CC=C(Cl)C=C3)N=C\2C)=O)=CC=C1)=O,0.0
56508,CO-ADD:0158527,0.24,[O-][N+](C1=CC=CC(/C=C/C(C)=N/NC(COC(C(Br)=C2)=CC=C2Cl)=O)=C1)=O,0.0
56509,CO-ADD:0155496,0.24,O=C(CC1=CC=CC=C1)N/N=C/C2=CC=C(O2)C3=C(Cl)C=CC(Cl)=C3,0.0
56510,CO-ADD:0155528,0.24,O=C(NC/1=O)N(C2=CC=CC=C2OC)C(C1=C/C(C(OC)=C3)=CC=C3OC)=O,0.0
56511,CO-ADD:0158583,0.24,O=C(N/N=C(C)/C1=CC=C(Cl)C=C1)COC(C(Br)=C2)=C(Br)C=C2C,0.0
56512,CO-ADD:0156304,0.24,O=C(N1C2=CC=CC=C2)C(C(C(C=C3)=CC=C3C(O)=O)C(C(N4C5=CC=CC=C5)=O)=C(C)N4C)=C(C)N1C,0.0
56513,CO-ADD:0158724,0.24,[O-][N+](C1=CC(C(C2=C3C=CC([N+]([O-])=O)=C2)=CC4=CC=C(OCCC)C=C4)=C3C=C1)=O,0.0
56514,CO-ADD:0155566,0.24,N#CC1=C(C)C(/C=N/C2=CC(O)=CC=C2)=C(O)N3C1=NC4=C3C=CC=C4,0.0
56515,CO-ADD:0163487,0.24,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c(ccc(c2O)O)c2,0.0
56516,CO-ADD:0163722,0.24,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2Cl)C(=O)Nc3ccc(cc3C)Cl,0.0
56517,CO-ADD:0163354,0.24,c1(OCC(=O)N\N=C(/C)\c2ccc(cc2)OC)c(OC)cc(cc1Br)Br,0.0
56518,CO-ADD:0163481,0.24,C(COc1ccc(cc1Br)C)(=O)N\N=C\c(ccc(c2OCC(O)=O)OCC(O)=O)c2,0.0
56519,CO-ADD:0163489,0.24,c1(Br)oc(cc1Br)\C=N\NC(COc2ccc(cc2Br)OC)=O,0.0
56520,CO-ADD:0163345,0.24,C(=O)(NCC(=O)N\N=C(/C)\c(cc1)ccc1C(C)C)c2ccco2,0.0
56521,CO-ADD:0155205,0.24,[O-][N+](C1=C(O)N=C(O)N=C1/C=C/C(C=C2)=CC=C2/C=N\C3=CC4=CC=CC=C4C=C3)=O,0.0
56522,CO-ADD:0157661,0.24,N#CC1=C(SCC(NC(C=CC=C2)=C2I)=O)N=C(C3=CC=CS3)C=C1C4=CC=C(Cl)C=C4,0.0
56523,CO-ADD:0158061,0.24,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(N/N=C/C=C(O)\C(C=C2)=CC=C2C)=O)=C1)=O,0.0
56524,CO-ADD:0158101,0.24,O=C(N/N=C(C)/CC(NC(C=CC=C1)=C1Cl)=O)C2=C(OC)C=C(OC)C=C2,0.0
56525,CO-ADD:0157437,0.23,O=C1N(C2=CC=CC=C2)C(SCC(NC(C=C3)=CC=C3Br)=O)=NC(S4)=C1C5=C4CCCC5,0.0
56526,CO-ADD:0157445,0.23,O=C(C1=CC2=CC=C(C3=CC=C(Cl)C=C3)O2)NC(NC1=O)=O,0.0
56527,CO-ADD:0160071,0.23,N1(C2=CC=CC=C2)C(N/N=C/C3=C(C=CC=C4)C4=CC5=C3C=CC=C5)=NN=N1,0.0
56528,CO-ADD:0156478,0.23,O=C(OC1(C)C)N(CC2=CC=CC=C2)C1=C,0.0
56529,CO-ADD:0156158,0.23,O=C(N(C1=CC=CC=C1)N=C/2C)C2=C/NC3=NC=C(Br)C=C3,0.0
56530,CO-ADD:0154957,0.23,N#CC1=C(SCC(NC2=CC=CC=C2)=O)N=C(C)C=C1C(F)(F)F,0.0
56531,CO-ADD:0154930,0.23,N#CC1=C(SCC(C2=CC=CC=C2)=O)N=C(C3CC3)C=C1C4=CC=C(Br)C=C4,0.0
56532,CO-ADD:0158706,0.23,O=C(C(C)OC(C=CC=C1)=C1Br)N/N=C/C2=CNC3=C2C=C(Br)C=C3,0.0
56533,CO-ADD:0155598,0.23,O=C(CSCC(NC1=CC=C2C=CC=CC2=C1)=O)NC3=C(C)C=CC=C3C,0.0
56534,CO-ADD:0158723,0.23,CC(C(C(N1CCCCCC1)=NC=N2)=C2S3)=C3C,0.0
56535,CO-ADD:0156324,0.23,[O-][N+](/N=C(N)\N/N=C/C1=CC=C(C2=CC(C(O)=O)=C(Cl)C=C2)O1)=O,0.0
56536,CO-ADD:0155612,0.23,O=C(CNC1=CC=CC(C)=C1)N/N=C/C2=CC(Br)=CC=C2O,0.0
56537,CO-ADD:0155636,0.23,O=C1N(CCC2=CC=C(C=C2)Cl)C(C3=C1C=C4C(N(CCC5=CC=C(Cl)C=C5)C(C4=C3)=O)=O)=O,0.0
56538,CO-ADD:0161179,0.23,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c2cc(Cl)ccc2OC)=C\c3cccs3,0.0
56539,CO-ADD:0163361,0.23,c1(O)c(Br)cc(cc1Br)\C=N\NC(COc2ccc(cc2Br)OC)=O,0.0
56540,CO-ADD:0163334,0.23,c(\C=N\NC(CNC(=O)c1cccc(F)c1)=O)(c2c([nH]3)cccc2)c3,0.0
56541,CO-ADD:0163499,0.23,N(=C(/CC)\c1ccccc1)/NC(CNc(ccc(c23)cccc2)c3)=O,0.0
56542,CO-ADD:0157670,0.23,S=C(NC1=O)NC(C1=CC(C(Cl)=C2)=CC=C2Cl)=O,0.0
56543,CO-ADD:0157408,0.23,ClC1=C(C=CC=C1)COC(C=C2)=CC=C2/C=N/CC3=CC=CC=C3,0.0
56544,CO-ADD:0154946,0.23,N#CC([C@@H](C1=C(OC)C=CC(OC)=C1)[C@@]2([H])C3=CCCC2)(C#N)C(N)=C3C#N,0.0
56545,CO-ADD:0154840,0.23,O=C(CN1CCCCC1)NC2=C(C(C)=O)OC3=C2C=CC=C3.Cl,0.0
56546,CO-ADD:0154944,0.23,NC1=NC(C)=NC(S2)=C1C3=C2CCCC3,0.0
56547,CO-ADD:0155818,0.23,O=C1C2=C(CC(C(C=C3)=CC=C3OCCCC)C1)C(C4=C5C=CC=C4)=C(C=C5)NC2C6=CC(OC)=C(OC)C=C6,0.0
56548,CO-ADD:0155944,0.23,[O-][N+](C1=CC(C(N2CCN(C3=CC=CC=C3)CC2)=O)=CC=C1Cl)=O,0.0
56549,CO-ADD:0155120,0.23,[O-][N+](C1=CSC(C(C(C2=O)=C(C3=CC=CC=C3O2)O4)C(C(OCC)=O)=C4N)=C1)=O,0.0
56550,CO-ADD:0155947,0.23,O=C(C)N(C1(CCCC1)O2)N=C2C3=CC(Br)=CC=C3,0.0
56551,CO-ADD:0161414,0.23,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2Cl)=O)N3CCCCCC3)c1,0.0
56552,CO-ADD:0161766,0.23,c1(ccc(\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)o1)c3ccc(cc3Cl)Cl,0.0
56553,CO-ADD:0161774,0.23,[N+](=O)([O-])c1ccccc1C(=O)Nc(cc2)ccc2Oc(cc3)ccc3Oc(cc4)ccc4NC(=O)c5ccccc5[N+](=O)[O-],0.0
56554,CO-ADD:0162979,0.23,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C(\c4ccccc4)/CC(C)C,0.0
56555,CO-ADD:0163339,0.23,N(=C(/C)\c1ccccc1)/NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
56556,CO-ADD:0163956,0.23,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(Br)c1)C(NCCOC)=O,0.0
56557,CO-ADD:0163356,0.23,C(=N\NC(COc1ccc(cc1Br)OC)=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
56558,CO-ADD:0156916,0.23,OC(N(N=C1C)C2=CC=CC=C2)=C1C(C3=C(O)C=CC(Br)=C3)C4=C(O)N(N=C4C)C5=CC=CC=C5,0.0
56559,CO-ADD:0155333,0.23,O=C(COC1=CC=CC(C)=C1)NC2=NN=C(CC)S2,0.0
56560,CO-ADD:0155261,0.23,[O-][N+]1=C(C(OCC)=O)C(C(C(OCC)=O)O1)C2=CON=C2C(OCC)=O,0.0
56561,CO-ADD:0155062,0.23,C12=NON=C1/N=N\C3=NON=C3/N=N\2,0.0
56562,CO-ADD:0155190,0.23,[O-][N+](C(C=C(OC)C=C1)=C1NC(CSC2=NC(C=CC=C3)=C3N2)=O)=O,0.0
56563,CO-ADD:0155358,0.23,O=C1NC(C(C)=CC=C2)=C2/C1=N/NC(C3=CC=CC=C3)=O,0.0
56564,CO-ADD:0159791,0.23,O=C(S/1)N(CNC2=CC=CC(C)=C2)C(C1=C\C3=CC=CC(F)=C3)=O,0.0
56565,CO-ADD:0161489,0.23,n1(nc(n2)c3ccccc3Cl)c2sc(nc(cccc4)c4n5)c15,0.0
56566,CO-ADD:0160100,0.23,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NNC(C(C=C3)=CC=C3OCCOCCOC4=CC=C(C=C4)C(NNC(C(C5=CC=CC=C5)C6=CC=CC=C6)=O)=O)=O,0.0
56567,CO-ADD:0159792,0.23,O=C(S/1)N(CNC(C=C2)=CC=C2C)C(C1=C/C3=CC(F)=CC=C3)=O,0.0
56568,CO-ADD:0154824,0.22,O=C(N1C2=CC=CC=C2)C(/N=N/C3=C(C=CC=C4)C4=CC=C3)(C5=CC=CC=C5)C(N1C6=CC=CC=C6)=O,0.0
56569,CO-ADD:0154883,0.22,N#CC1=C(SCC(O)=O)N=C(CCC2)C2=C1,0.0
56570,CO-ADD:0154799,0.22,O=C(CC1=CC=CC=C1)NC2=CC3=C(C=C2)N=C(N3)C(C=C4)=CC=C4C5=NC(C=C6)=C(C=C6NC(CC7=CC=CC=C7)=O)N5,0.0
56571,CO-ADD:0154879,0.22,N#CC1=C(N)OC(CCC2)=C(C2=O)C1C3=CC=C(C)S3.[Na+],0.0
56572,CO-ADD:0154896,0.22,O/N=C(C1=C/2NN=N1)\C3=C(N=NN3)C2=N/O,0.0
56573,CO-ADD:0155123,0.22,N#CC1=C(C2=CC=CS2)C(CN(C)CC3)=C3NC1=S,0.0
56574,CO-ADD:0155276,0.22,O=C1NC(C(Br)=CC(Br)=C2)=C2/C1=N/NC(C3=C(C)N=C(C(OC)=CC=C4)C4=C3)=O,0.0
56575,CO-ADD:0155751,0.22,O=C(C1=C2C=CC(OC3=CC=C(N)C=C3)=C1)N(C4=CC=CC5=C4C=CC=C5)C2=O,0.0
56576,CO-ADD:0163011,0.22,c1(c(O)c(\C=N\NC(=O)c(ccc(n2)C)c2)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
56577,CO-ADD:0162829,0.22,N(=C\c(cc1)ccc1OC)/NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
56578,CO-ADD:0163372,0.22,C(=N\NC(COc1ccc(cc1Br)OC)=O)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
56579,CO-ADD:0163396,0.22,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
56580,CO-ADD:0163403,0.22,c1(c(OC)cc(c(\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c1)OC)[N+](=O)[O-],0.0
56581,CO-ADD:0163787,0.22,C(=O)(NC1CCCCC1)CC(=O)N\N=C\c2cccc(OC)c2,0.0
56582,CO-ADD:0163728,0.22,c1(ccccc1NC(=O)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O)C(OC)=O,0.0
56583,CO-ADD:0163352,0.22,c1(OCC(=O)N\N=C(/C)\c2ccc(cc2)Br)c(OC)cc(cc1Br)Br,0.0
56584,CO-ADD:0157726,0.22,[O-][N+](C(C=C1)=CC=C1C(N2CCN(C)CC2)=O)=O,0.0
56585,CO-ADD:0156886,0.22,O/N=C(NC(C=CC=C1)=C1OC)/C(NC(C=CC=C2)=C2OC)=N/O,0.0
56586,CO-ADD:0157430,0.22,O=C(NC(C=C1)=CC=C1OCCCC)C2=C(C=CC=C3)C3=C(F)C=C2,0.0
56587,CO-ADD:0157655,0.22,N#CC1=C(SCC(OCC)=O)N=C(C2=CC=CS2)C=C1C3=CC=C(Cl)C=C3,0.0
56588,CO-ADD:0159994,0.22,O=C(S/1)N(CNC2=CC=CC(C(F)(F)F)=C2)C(C1=C\C3=CC=CC=C3)=O,0.0
56589,CO-ADD:0160361,0.22,[O-][N+](C1=CC=CC(C2=CC=C(/C=C3N=C(C(C=C4)=CC=C4Br)OC/3=O)O2)=C1)=O,0.0
56590,CO-ADD:0160561,0.22,O=C(NC(C=C1OC2=CC=C(C=C2)NC(C(F)(F)F)=O)=C(C=C1)NC(C(F)(F)F)=O)C(F)(F)F,0.0
56591,CO-ADD:0159957,0.22,OC1=CC=CC(/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCCCC4)=N2)=C1,0.0
56592,CO-ADD:0155417,0.22,O=C(N1)/C(C2=C1C=CC(Br)=C2)=N\NC(CNC(C=C3)=CC=C3C)=O,0.0
56593,CO-ADD:0158682,0.22,O=C(C1=CC(F)=CC=C1)NCC(N/N=C/C2=CC=C(C)O2)=O,0.0
56594,CO-ADD:0162514,0.22,B(CC1CC2CC3C1)(C2)C3.B(CC(CC45)CC6C4)(C5)C6.n(cc7)ccc7c(cc8)ccn8,0.0
56595,CO-ADD:0161982,0.22,C(=O)(c1ccc(cc1)NC(CCCCCCC)=O)Nc2ccccc2I,0.0
56596,CO-ADD:0161854,0.22,c1(N(CC2)CCN2C)nc(N\N=C\c(c3c([nH]4)cccc3)c4)nc(Nc(cc5)ccc5[N+](=O)[O-])n1,0.0
56597,CO-ADD:0162390,0.22,c1(ccc(cc1Cl)Cl)C(=O)NC(C)COc2ccccc2,0.0
56598,CO-ADD:0163000,0.22,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c3ccccc3Cl,0.0
56599,CO-ADD:0161383,0.22,P(O)(=O)(C(Cc1ccccc1)C(O)=O)C(Cc2ccccc2)C(O)=O,0.0
56600,CO-ADD:0157679,0.22,O=C(O)C1=C(SC)SN=C1SC,0.0
56601,CO-ADD:0155007,0.22,N#CC1=C(SCC(C2=C(C)C=C(C)C=C2)=O)N=C(C)C=C1COC,0.0
56602,CO-ADD:0155063,0.22,O=C(OCC)C1=CN=NN1C2=NON=C2/N=N/C3=NON=C3N4C(C(OCC)=O)=CN=N4,0.0
56603,CO-ADD:0155295,0.22,O=C(C(C=C1)=CC=C1NC(CCCCCCC)=O)NC2=CC=CC=C2,0.0
56604,CO-ADD:0155231,0.22,ClC1=C(C=CC=C1)C(C2)N(C3=CC(F)=CC=C3)N=C2C(C=C4)=CC=C4Cl,0.0
56605,CO-ADD:0154992,0.22,N#CC(C(C(F)(F)F)=C1)=C(SCC(C2=C(C)C=C(C)C=C2)=O)N=C1C3=CC=CC=C3,0.0
56606,CO-ADD:0160445,0.22,O=C(CNC1=CC=CC(C)=C1)N/N=C(CCCCCC)/C2=CC=CC=C2,0.0
56607,CO-ADD:0160342,0.22,NC1=C(C(C2=CC=CC=C2)=O)SC3=C1C(COC)=CC(C)=N3,0.0
56608,CO-ADD:0160417,0.22,COC1=NC(NCCCCCC)=NC(NCCCC)=N1,0.0
56609,CO-ADD:0155374,0.22,O=C(S/1)N(CNC2=CC=CC=C2C(OC)=O)C(C1=C\C(C=CC=C3)=C3I)=O,0.0
56610,CO-ADD:0155456,0.22,O=C(N/N=C/C1=CC(Cl)=CC=C1O)C2=NNC(C3=CC=CC=C3)(C4=CC=CC=C4)C2,0.0
56611,CO-ADD:0158693,0.22,O=C(N/N=C/C1=CC=CC(OC(C2=CC=CC(F)=C2)=O)=C1)/C(NC(C3=CC=CC=C3)=O)=C\C4=CC=C(C=C4)N(C)C,0.0
56612,CO-ADD:0156439,0.22,[O-][N+](C1=CC=CC(/C=N/C2=CC=C(C=C2)C(S3)=NC4=C3C=CC(C)=C4)=C1)=O,0.0
56613,CO-ADD:0156495,0.22,[O-][N+](C(C=C1)=CC=C1NC(OCCCCCCC)=O)=O,0.0
56614,CO-ADD:0156203,0.21,IC1=CC=C(C=C1)/C=N/C2=CC(N=C(C3=CC=CC=C3)O4)=C4C=C2,0.0
56615,CO-ADD:0161915,0.21,[N+](=O)([O-])c(ccc(c1\C=N\Nc(cc2)ccc2[N+](=O)[O-])N(CCCC)CC)c1,0.0
56616,CO-ADD:0162369,0.21,n1c2c(oc1c3ccc(cc3)I)ccc(c2)\N=C\c4cccc(I)c4,0.0
56617,CO-ADD:0162921,0.21,C(=O)(Nc(cc1)ccc1Cc(cc2)ccc2NC(=O)Cc3cccc(cccc4)c34)Cc5cccc(cccc6)c56,0.0
56618,CO-ADD:0162082,0.21,N(CCSc1ccccc1)(CC2)CCN2CCO.Cl.Cl,0.0
56619,CO-ADD:0161199,0.21,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)cc(c23)C=CC(=O)O3,0.0
56620,CO-ADD:0161192,0.21,C(=O)(c1ccc(cc1)Br)Nc2ccc(cn2)Cl,0.0
56621,CO-ADD:0161208,0.21,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\c3ccc(cc3)OC,0.0
56622,CO-ADD:0162969,0.21,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C(/C)\C=C\c3ccco3,0.0
56623,CO-ADD:0161812,0.21,c(Nc(cc1)ccc1OC)(nc(N\N=C\c(cc2)ccc2\C=N\Nc(nc(Nc(cc3)ccc3[N+](=O)[O-])nc4Nc(cc5)ccc5OC)n4)nc6Nc(cc7)ccc7[N+](=O)[O-])n6,0.0
56624,CO-ADD:0163745,0.21,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(=O)Nc2c(C)ccc(Cl)c2,0.0
56625,CO-ADD:0163393,0.21,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
56626,CO-ADD:0163897,0.21,N1(CNc(cccc2C(O)=O)c2)C(=S)OC(c3ccc(cc3Cl)Cl)=N1,0.0
56627,CO-ADD:0162322,0.21,c1(ccco1)\C=C\C=N\NC(=O)CCOc2cccc(Br)c2,0.0
56628,CO-ADD:0162563,0.21,c12c(c(nn1c3ccccc3)C)cc(C(NC)=O)s2,0.0
56629,CO-ADD:0155689,0.21,O=C(NC1=CC(C=CC=C2)=C2C=C1)C3CC3CCCCCCCC,0.0
56630,CO-ADD:0155025,0.21,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)[C@@]1([H])C3=C(C(OC)=C(OC)C=C3)[N+]([O-])=O,0.0
56631,CO-ADD:0155033,0.21,N#CC([C@]1([H])C2=CC=CN=C2)=C(N[C@](C3=CC=CC=C3)(O)[C@]1([H])[N+]4=CC=CC5=C4C=CC(Cl)=C5)[S-],0.0
56632,CO-ADD:0155281,0.21,NC1=CC(C2=NC(C=C3)=C(C=C3C)O2)=C(O)C=C1,0.0
56633,CO-ADD:0160188,0.21,O=C(NC1=CC(SC2=CC=CC=C2)=CC(SC3=CC=CC=C3)=C1)C(C=CC=C4)=C4F,0.0
56634,CO-ADD:0160676,0.21,O=C(NC(C=C1)=CC=C1Cl)/C(NC(C2=CC=CC=C2)=O)=C/C3=CC=C(C(OC)=C3)OC,0.0
56635,CO-ADD:0161595,0.21,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)CCOc2cccc(Br)c2,0.0
56636,CO-ADD:0160668,0.21,O=S(C(C=C1)=CC=C1C2=CC=C(C=C2)S(CCC(C)=O)(=O)=O)(CCC(C)=O)=O,0.0
56637,CO-ADD:0161101,0.21,N1(c2ccccc2)C(=O)C(CC1=O)Sc(ccc(c34)cccc3)c4,0.0
56638,CO-ADD:0160134,0.21,[O-][N+](C(C=C1)=CC=C1C2=CSC(N/N=C\C3=CC=C(C=C3)Br)=N2)=O,0.0
56639,CO-ADD:0156403,0.21,NC1=C(C(C2CC2)=O)SC3=C1C(C(F)(F)F)=CC(C4=CC=CS4)=N3,0.0
56640,CO-ADD:0156452,0.21,O=C(OC)C(C=C1)=CC=C1/C=N/C2=CC=C3C(C2=CC=C4)=C4CC3,0.0
56641,CO-ADD:0154770,0.21,O=C(S/1)N(CNC2=CC=CC=C2)C(C1=C/C3=CC=C(C(Cl)=C3)Cl)=O,0.0
56642,CO-ADD:0154346,0.21,BrC(/C(OC1=C2C(C=CC=C3)=C3C=C1)=NBr)(C2C4=CC=CC=C4)C#N,0.0
56643,CO-ADD:0154479,0.21,CN(C=C1CN([H])C)C(C1=C2)=CC=C2OC.Cl,0.0
56644,CO-ADD:0154357,0.21,OCC1=CC2=CC(OC)=CC=C2N1C,0.0
56645,CO-ADD:0162477,0.21,N1(CN2CCCCC2)C(=S)OC(c3ccccc3Cl)=N1,0.0
56646,CO-ADD:0161824,0.21,c(Nc(cc1)ccc1OC)(nc(N\N=C\c(cc2)ccc2C)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
56647,CO-ADD:0161869,0.21,[N+](=O)([O-])c1ccc(c(C)c1)\N=C\c(cc2)ccc2OC(=O)c3cccc(cccc4)c34,0.0
56648,CO-ADD:0161909,0.21,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(ccc(c23)cccc2)c3)=O)N(CCCC)CC)c1,0.0
56649,CO-ADD:0162161,0.21,C(C(OCC)=O)(=C(CC)NC(=C12)CC(CC1=O)(C)C)C2c(cc3)ccc3N(C)C,0.0
56650,CO-ADD:0163818,0.21,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
56651,CO-ADD:0162691,0.2,C(C1)(C2c3ccccc3F)=C(OC(N)=C2C#N)\C(\CN1C(C)C)=C\c4ccccc4F,0.0
56652,CO-ADD:0162627,0.2,C1(C#N)(C#N)C(N)=C(C#N)C(C(C2)C13c4c(NC3=O)cccc4)=CCN2C.[Na+],0.0
56653,CO-ADD:0162299,0.2,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(=O)c(ccc(n3)C)c3)o1,0.0
56654,CO-ADD:0155289,0.2,[O-][N+](C1=CC(NC(CSCC(NC2=CC(C=CC=C3)=C3C=C2)=O)=O)=CC=C1)=O,0.0
56655,CO-ADD:0155066,0.2,BrC1=CN=C(C=C1)N2N=NN=C2,0.0
56656,CO-ADD:0160190,0.2,O=C(N/N=C/C1=CC=CC=C1Cl)CN2N=NC3=C2C=CC=C3,0.0
56657,CO-ADD:0161601,0.2,[N+](=O)([O-])c1cccc(c1C)\N=C\c(cc(Br)cc2Br)c2O,0.0
56658,CO-ADD:0161549,0.2,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(ccc(c23)cccc2)c3)=O)N(C)C)c1,0.0
56659,CO-ADD:0160515,0.2,BrC1=CC2=C(C=C1)N(CC(O)CN3CCN(CC(O)CN4C5=C(C6=C4C=CC(Br)=C6)C=C(Br)C=C5)CC3)C7=C2C=C(Br)C=C7,0.0
56660,CO-ADD:0154918,0.2,N#CC1=C(C(F)(F)F)C=C(C2=CC=CS2)NC1=O,0.0
56661,CO-ADD:0154934,0.2,N#CC1=C(N)OC(C=C(O)C=C2)=C2C1C(C(Cl)=C3)=CC=C3Cl,0.0
56662,CO-ADD:0154758,0.2,[O-][N+](C(C=C(OCO1)C1=C2)=C2/C=N/N3C=NN=C3)=O,0.0
56663,CO-ADD:0154846,0.2,O=C(N(C1=CC=CC=C1)CC(N)=O)C2=CC=CC=C2Br,0.0
56664,CO-ADD:0154895,0.2,NC1(C2)C[N@]3C[N@](C[N@@]2C3)C1,0.0
56665,CO-ADD:0162472,0.2,C(Cl)(Cl)(Cl)C(O)NC(CSC(N(CC)CC)=S)=O,0.0
56666,CO-ADD:0162488,0.2,[N+](=O)([O-])c1ccc(cc1)CN(CC2)CCN2CCNC(=O)C(=O)Nc3ccccc3,0.0
56667,CO-ADD:0162520,0.2,B(C1)(CC(C2)CC3CC12)C3.N,0.0
56668,CO-ADD:0163869,0.2,C(=O)(N\N=C(/C)\CC(=O)Nc1c(C)ccc(Cl)c1)C(NCCOC)=O,0.0
56669,CO-ADD:0162164,0.2,C(C(OCC)=O)(=C(CC)NC(=C12)CC(CC1=O)(C)C)C2c3cc(OC)ccc3OC,0.0
56670,CO-ADD:0163175,0.2,n1(N)c(C)nnc1N\N=C\c(ccc2c(ccc(c3[N+](=O)[O-])Cl)c3)o2.Cl,0.0
56671,CO-ADD:0163832,0.2,N1C(=O)\C(\SC1=S)=C/c(cc2)ccc2OC(=O)c(cc3)cc(c3C(=O)Oc(cc4)ccc4\C=C(/SC(N5)=S)\C5=O)[N+](=O)[O-],0.0
56672,CO-ADD:0163848,0.2,C(=C/c(cc1)ccc1[N+](=O)[O-])(/C(=O)N\N=C\c(cc2)ccc2Br)\C(=O)N\N=C\c(cc3)ccc3Br,0.0
56673,CO-ADD:0163795,0.2,C(N(CC)CC)(=S)Oc(cccc1C(=O)Nc2cccc(cccc3)c23)c1,0.0
56674,CO-ADD:0162243,0.2,c(Nc1ccccc1)(nc(N\N=C\c2cc(Br)ccc2O)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
56675,CO-ADD:0162251,0.2,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2cc(Br)ccc2OC)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
56676,CO-ADD:0155203,0.2,[O-][N+](C1=CC=C(Cl)C(/C=C2C(N/C(S\2)=N/N=C/C3=CC=C(C=C3)[N+]([O-])=O)=O)=C1)=O,0.0
56677,CO-ADD:0158339,0.2,[O-][N+](C(C=C1)=CC=C1OCC(N/N=C/C2=C(OCCC)C=C(OCCC)C=C2)=O)=O,0.0
56678,CO-ADD:0158347,0.2,ClC1=CC=C(Cl)C=C1N(C(C(C=C2)=CC=C2OC)C3)N=C3C4=CC=C(Cl)C=C4,0.0
56679,CO-ADD:0157835,0.2,O=C1OC(C(C(Cl)=C2)=CC=C2Cl)=N/C1=C\C3=CC=C(C)O3,0.0
56680,CO-ADD:0160303,0.2,O=C1NC(C(Br)=CC(C)=C2)=C2/C1=N/NC(/C(NC(C3=CC=CC=C3)=O)=C\C4=CC=CC=C4)=O,0.0
56681,CO-ADD:0155993,0.2,O=C(C1)N(C2=CC=C(C)C=C2)CC1C(NC(C=CC=C3)=C3C)=O,0.0
56682,CO-ADD:0154311,0.2,NC1=C2C(CCCC2)=NC3=C1C(C4=CC=C(C)C=C4)C5=C(O3)C6=C(C=CC=C6)C=C5,0.0
56683,CO-ADD:0154517,0.2,CC(C)NNC(CC1=CNC2=CC=CC=C21)=O,0.0
56684,CO-ADD:0154313,0.2,NC1=C2C(CCCC2)=NC3=C1C(C4=CC=CC=C4)C5=C(O3)C=CC6=C5C=CC=C6.Cl,0.0
56685,CO-ADD:0154438,0.2,NNC(C1=CN(CC2=CC=CC=C2)C3=C1C=CC=C3)=O,0.0
56686,CO-ADD:0154455,0.2,[H]N(C)CC1=CC2=CC(OCC3=CC=CC=C3)=CC=C2N1C.Cl,0.0
56687,CO-ADD:0154538,0.2,N#CC(C#N)=CC1=CC=C(C=C1)OC,0.0
56688,CO-ADD:0163024,0.2,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(=O)C(O)c2ccccc2,0.0
56689,CO-ADD:0162831,0.2,N(=C\c1ccccc1)/NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
56690,CO-ADD:0162447,0.2,c1(C(=O)c2ccc(cc2)Br)c(N)c(c3s1)ccc(CCC)n3,0.0
56691,CO-ADD:0163125,0.19,N1(c2ccccc2OC)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
56692,CO-ADD:0163213,0.19,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(COc2ccccc2C)=O,0.0
56693,CO-ADD:0163870,0.19,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1C)Br)=O)Nc2ccccc2F,0.0
56694,CO-ADD:0162564,0.19,c1(s2)c(c(nn1c3ccccc3)C)cc2C(=O)n4c(C)cc(C)n4,0.0
56695,CO-ADD:0162280,0.19,N(\C(=C/c(ccc(c12)cccc1)c2)\C(O3)=O)=C3c(cc4)ccc4[N+](=O)[O-],0.0
56696,CO-ADD:0162680,0.19,c(C#N)(cc(C(C)=O)c(n1)C)c1SCC(=O)Nc2c(Br)cc(cn2)Br,0.0
56697,CO-ADD:0162197,0.19,n(c1N)c(SCC#N)c(cc1C#N)C#N,0.0
56698,CO-ADD:0162617,0.19,c(C(=O)Nc(cccc1C(F)(F)F)c1)(c(N)c(c23)cc(c(N)n2)C(OCC)=O)s3,0.0
56699,CO-ADD:0162625,0.19,c(C#N)(c1c2ccccc2)c(SCC(=O)Nc3cccc(C)c3)nc(N)c1C#N,0.0
56700,CO-ADD:0158427,0.19,[O-][N+](C1=CC(C(NC2=CC=C(C=C2)C(N(C3=CC=CC=C3)C4=CC=CC=C4)=O)=O)=CC=C1)=O,0.0
56701,CO-ADD:0155027,0.19,N#CC1=C(SCC(C=CC=C2)=C2F)N=C(C)C=C1C,0.0
56702,CO-ADD:0155243,0.19,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C3=CC=C(Br)S3,0.0
56703,CO-ADD:0155244,0.19,O=C(C1)C2=C(CC1(C)C)NC(C)=C(C(OCC)=O)C2C3=CSC=C3,0.0
56704,CO-ADD:0161494,0.19,C(/C=C(S1)CC)(=C\N(C)c2ccccc2)\C1=O,0.0
56705,CO-ADD:0161262,0.19,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3cccc(c3)OCc4ccccc4,0.0
56706,CO-ADD:0155535,0.19,OC(C(/C=N/C1=CC(N=C(C(C=C2)=CC=C2C(C)(C)C)O3)=C3C=C1)=CC=C4)=C4OC,0.0
56707,CO-ADD:0155375,0.19,O=C(S/1)N(CN2CCOCC2)C(C1=C([H])\C(C(Cl)=C3)=CC=C3Cl)=O,0.0
56708,CO-ADD:0156049,0.19,S=C(O1)N(CN(CCC)CCC)C2=C1C=CC=C2,0.0
56709,CO-ADD:0154396,0.19,O=C(NN=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C)C3=CC4=CC=CC=C4N3,0.0
56710,CO-ADD:0162507,0.19,c1(C2c3ccc(cc3)OCC)c(CCN2C(c4ccccc4)=O)c5c(cccc5)[nH]1,0.0
56711,CO-ADD:0162539,0.19,c12c(non1)nc(Nc(cc3)ccc3F)c(N\N=C\c(ccc4c(ccc(c5C(O)=O)O)c5)o4)n2,0.0
56712,CO-ADD:0154293,0.19,CC1=NC2=C(C(NC3=CC=CC=C3)=N1)C=NN2C4=CC=CC=C4,0.0
56713,CO-ADD:0163210,0.19,N(=C(/C)\c(cc1)ccc1C(C)(C)C)/NC(CNc2cccc(C)c2)=O,0.0
56714,CO-ADD:0162931,0.19,C(=O)(Nc(cc1)ccc1CCCC)C(=O)NCC(CCCC)CC,0.0
56715,CO-ADD:0163134,0.19,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
56716,CO-ADD:0163694,0.19,[N+](=O)([O-])c1ccccc1C(=O)N\N=C\c(ccc2c3ccc(cc3)Br)o2,0.0
56717,CO-ADD:0161991,0.19,c1(CC(=O)Nc(cc2)ccc2Cl)n(C)c(c3c1Sc4ccccc4)cccc3,0.0
56718,CO-ADD:0162729,0.19,C(C#N)(=C(N)SC(=C1C#N)N)C1c2cc(OCC)ccc2OCC,0.0
56719,CO-ADD:0162228,0.19,c1(N(CC2)CCN2C)nc(N\N=C\c(cc(Br)cc3Br)c3OC)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
56720,CO-ADD:0162589,0.19,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc(ccc(c23)cccc2)c3)c1,0.0
56721,CO-ADD:0162337,0.19,c1(c2ccc(cc2)Br)ccc(\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O)o1,0.0
56722,CO-ADD:0162229,0.19,c1(N(CC2)CCN2C)nc(N\N=C\c(cccc3[N+](=O)[O-])c3OC)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
56723,CO-ADD:0162182,0.19,c1(N2CCCC2)nc(N\N=C/c3ccc(cc3OC)OC)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
56724,CO-ADD:0155348,0.19,O=C(C1=CC=CC=C1)NC2=CC=CC=C2C(NCCCCCC)=O,0.0
56725,CO-ADD:0160593,0.19,O=C1/C(N=C(C2=CC=CC=C2)O1)=C/C3=CC=CC=C3OCCCCCC,0.0
56726,CO-ADD:0161270,0.19,C(C#N)(C1c(cc2)ccc2c3ccccc3)=C(N)OC(CCCC4=O)=C14,0.0
56727,CO-ADD:0161278,0.19,C(C#N)(C1c2ccc(cc2)SC)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
56728,CO-ADD:0160287,0.19,O=C(N/N=C/C1=CC(Br)=C(OC)C=C1)/C(NC(C2=CC=CC=C2)=O)=C\C3=CC=CC=C3,0.0
56729,CO-ADD:0160128,0.19,[O-][N+](C1=C(O)C(/C=C2C(N3C(S/2)=NC4=CC=CC=C34)=O)=CC=C1)=O.Cl,0.0
56730,CO-ADD:0155978,0.19,C1(C2=CC=CC(/N=C\C(C=C3)=CC=C3OCC4=CC=CC=C4)=C2)=NC(C=CC=C5)=C5O1,0.0
56731,CO-ADD:0156010,0.19,O=C(N1)/C(C2=C1C=CC(Br)=C2)=N\C(C(C)=C3)=CC=C3C,0.0
56732,CO-ADD:0156065,0.19,ClC1=C(C=CC(Cl)=C1)C2=NC(C=C3/N=C/C4=CC=CC=C4F)=C(C=C3)O2,0.0
56733,CO-ADD:0156388,0.19,[O-][N+](C1=CC=C(NCCCNC(C(C(Cl)=C2)=CC(F)=C2F)=O)C3=NC=CC=C31)=O,0.0
56734,CO-ADD:0156420,0.19,O=C(NC(C=C1)=CC=C1CC2=CC=NC=C2)C3=C(Cl)C=C(Cl)C=C3,0.0
56735,CO-ADD:0161401,0.19,C(=O)(Nc(cc1)ccc1Oc2cccc(Oc(cc3)ccc3NC(=O)c(cccn4)c4)c2)c(cccn5)c5,0.0
56736,CO-ADD:0161241,0.19,c(c1ccc2)(c23)c(ccc1N(CC4)CCO4)c5c(cccc5)C3=O,0.0
56737,CO-ADD:0162950,0.19,N1(c2ccc(cc2)OC(C)=O)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
56738,CO-ADD:0161989,0.18,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c(cc(Cl)cc5I)c5O,0.0
56739,CO-ADD:0161874,0.18,c1(\C=N\NC(COc(cc2)ccc2CCCC)=O)cc(OC)ccc1OCc3cccc(Br)c3,0.0
56740,CO-ADD:0162016,0.18,N1(c2cccc(c2)C(O)=O)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\c3ccc(cc3)OC,0.0
56741,CO-ADD:0242954,0.18,N(/OC(=O)\C=C/c1ccccc1)=C(/c2ccccc2)\c3ccc(cc3)Br,0.0
56742,CO-ADD:0245912,0.18,C(C#N)(C(C)=CC(N1)=O)=C1C(C#N)C#N.N(CC2)CCO2,0.0
56743,CO-ADD:0242402,0.18,S(=O)(=O)(N(CC1)CCO1)c2c(ccc(c2)[N+](=O)[O-])N\N=C/c3ccccc3N(CCCC4C(=O)N(CC)CC)C4,0.0
56744,CO-ADD:0245290,0.18,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C/c6ccccc6O)n1,0.0
56745,CO-ADD:0242395,0.18,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
56746,CO-ADD:0242953,0.18,c1(\C=N\OC(=O)c2ccc(cc2)F)cc(OC)ccc1O,0.0
56747,CO-ADD:0241975,0.18,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(c5c4)OCO5,0.0
56748,CO-ADD:0241576,0.18,[N+](=O)([O-])c1cc(OC)ccc1c2ccc(\C=N\Nc(cc3)ccc3[N+](=O)[O-])o2,0.0
56749,CO-ADD:0246067,0.18,C(F)(F)(F)C(=O)NC(c1ccc(cc1)OC)CC(=O)Nc2cc(on2)C,0.0
56750,CO-ADD:0246053,0.18,N1(CC(OCC(=O)Nc(cc2)ccc2S(N)(=O)=O)=O)C(=O)c3c(cccc3)C1=O,0.0
56751,CO-ADD:0241271,0.18,N1(c2ccccc2C)C(=O)NC(\C(=C/c3cc(Br)ccc3OC)\C1=O)=O.Cl,0.0
56752,CO-ADD:0246054,0.18,N1(COC(CSc2[nH]c(c3n2)cccc3)=O)C(=O)c4c(cccc4)C1=O,0.0
56753,CO-ADD:0241036,0.18,[N+](=O)([O-])c1c(NCCOc2cccc(C)c2)ccc(c1)C(F)(F)F,0.0
56754,CO-ADD:0244699,0.18,c1(Br)cc(C)ccc1NCC(=O)c2ccc(cc2)Br,0.0
56755,CO-ADD:0240587,0.18,n1n(Cc2ccccc2)cc(C#N)n1,0.0
56756,CO-ADD:0244634,0.18,C(=O)(C1CCC(CC1)C)Nc(cc2)ccc2C,0.0
56757,CO-ADD:0244673,0.18,C(=O)(N\N=C\c1ccccc1F)C(=O)Nc(cc2Cl)cc(c2Cl)Cl,0.0
56758,CO-ADD:0244269,0.18,C(CCC(=O)N\N=C\c1cccc(I)c1)(=O)Nc(ccc(c2C)C)c2,0.0
56759,CO-ADD:0149235,0.18,c1ncc(n(c(c2C3c(cc(OCO4)c45)cc5OC)NC(=O)C3)cn2)cc1,0.0
56760,CO-ADD:0149428,0.18,c(C1c(c2N)c(nc(N)c2C#N)Oc(cc3O)c1cc3)(cc4)c(OC)cc4,0.0
56762,CO-ADD:0245946,0.18,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
56763,CO-ADD:0241270,0.18,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(c(OC)c4)OC(C)=O,0.0
56764,CO-ADD:0245986,0.18,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c2cccc(OC)c2O)F,0.0
56765,CO-ADD:0241046,0.18,c1(C(OCC)=O)[nH]c(c(C(CCCCC)=O)c1C)C,0.0
56766,CO-ADD:0240976,0.18,S(c1ccccc1)(=O)(=O)N(CC(NCCCNC(=O)CN(c2c(OC)ccc(OC)c2)S(c3ccccc3)(=O)=O)=O)c4c(OC)ccc(OC)c4,0.0
56767,CO-ADD:0245970,0.18,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)SCC(=O)Nc3cccc(F)c3,0.0
56768,CO-ADD:0244312,0.18,C1(=C(O)CC(C)(C)CC1=O)C(c2ccc(c(OC)c2)OC)C3=C(O)CC(C)(C)CC3=O,0.0
56769,CO-ADD:0241828,0.18,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(ccc3c4ccccc4[N+](=O)[O-])o3)n1,0.0
56770,CO-ADD:0242778,0.18,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\C2CCCCC2,0.0
56771,CO-ADD:0244894,0.18,C1(C2NC(=S)N1)N(c3c4c(cccc4)ccc3)C(=S)N2,0.0
56772,CO-ADD:0244233,0.18,c1(SCC(=O)Nc(cc2)ccc2Cl)oc(c3n1)cccc3,0.0
56773,CO-ADD:0245620,0.18,C1(=S)N(c(cc2)ccc2C(O)=O)C3(\C(=N\c4cccc(C)c4)\N1)CCCCC3,0.0
56774,CO-ADD:0149519,0.18,c(C(=O)Cc1ccc(OC)cc1)(cc(OCCO2)c2c3OC)c3,0.0
56779,CO-ADD:0137859,0.18,COC1=C2C(OCO2)=C(OC)C(CC3ON=C(C4=CC=C(F)C=C4)C3)=C1,0.0
56780,CO-ADD:0153075,0.18,NC1=C(CNC2=CC=C(F)C=C2)C=NC(C)=N1,0.0
56781,CO-ADD:0153079,0.18,O=C(C1=CC(OC)=CC=C1)NC2=CN(C)C(C(NC3=CN(C)C(C(NC4=CN(CCCN(C)C)C=N4)=O)=C3)=O)=C2.OC(C(F)(F)F)=O,0.0
56782,CO-ADD:0149788,0.18,NC1=C2C(CCN(CC3=CC=CC=C3)C2)=NC(C1=C4)=NC(Cl)=C4C#N,0.0
56783,CO-ADD:0241040,0.18,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(=O)Nc2ccccc2Br,0.0
56784,CO-ADD:0245853,0.18,C1(CC2)C(C1C(O)=O)CCC(C3C(O)=O)C23,0.0
56785,CO-ADD:0246209,0.18,C(=O)(c1ccc(cc1)CSc(cc2)ccc2C3CCCCC3)Nc(cc4)ccc4Br,0.0
56786,CO-ADD:0242917,0.18,C1(O)(C(C)CN(C(C)C1)C)C(c2ccccc2)C(OC)=O,0.0
56787,CO-ADD:0245904,0.18,C12(C(C)(CN(C)C(c3ccccc3)C1)OC4=O)C4(O2)C(C)=O,0.0
56788,CO-ADD:0149521,0.18,c(OC)(cc1)ccc1C(=O)\C=C\c2cc3c(c(OC)c2)OCC(=O)N3,0.0
56789,CO-ADD:0137886,0.18,O=C(NC1=CC=C(Cl)C=C1)C2=C(OC)C(OCO3)=C3C(OC)=C2,0.0
56790,CO-ADD:0149501,0.17,c(C(=O)\C=C\c(cc1)ccc1OC)(c2Br)cc(OC)c(OC)c2,0.0
56791,CO-ADD:0149348,0.17,COc(ccc(C(c(c1N2)cc(c(O3)c1)OC3)C(=C2C4)C(O4)=O)c5)c5,0.0
56792,CO-ADD:0149279,0.17,c1(c2ccc(OCO3)c3c2)nc(s4)c(c(N)c4C(c(cc5OC)ccc5OC)=O)c(C(F)(F)F)c1,0.0
56793,CO-ADD:0149575,0.17,C=C=CCN(CC1=CC2=CC=CC=C2N1C)C.O=C(O)C(O)=O,0.0
56794,CO-ADD:0149756,0.17,NC(OC1=C2C(C=CC=C3)=C3C=C1)=C(C2C4=CC=C(C=C4)[N+]([O-])=O)C#N,0.0
56795,CO-ADD:0149760,0.17,NC(OC1=C2C(C=CC=C3)=C3C=C1)=C(C2C4=CC(OC)=C(O)C=C4)C#N,0.0
56796,CO-ADD:0149585,0.17,ClC(C(C#N)=C1C2=CC=CC=C2)=NC(OC)=C1C#N,0.0
56797,CO-ADD:0148699,0.17,c12c(C(CC(=O)N1)c3cccc(OC)c3)snc2c4ccc(OC)cc4,0.0
56798,CO-ADD:0149019,0.17,c(nc1C(F)(F)F)(c(NC(c2ccc(OCO3)c3c2)=O)c4)c([nH]1)cc4,0.0
56800,CO-ADD:0149371,0.17,c(OC)(c(OC)c1OC)cc(C(=O)\C=C\c(cc2OC)cc(OC)c2OC)c1,0.0
56801,CO-ADD:0148698,0.17,c1(cc(Cl)ccc1)C2CC(=O)Nc(c23)c(ns3)c4ccc(OC)cc4,0.0
56802,CO-ADD:0149070,0.17,c1cc(c(nc2c(c(n3)NC(=O)c4ccncc4)no3)cc1)n2Cc5ccncc5,0.0
56803,CO-ADD:0153057,0.17,NC1=C(CN2N=NC(CCCO)=C2)C=NC(C)=N1,0.0
56804,CO-ADD:0149639,0.17,C#CCNC(C1=CC2=CC(OCCCC3CCN(CC4=CC=CC=C4)CC3)=CC=C2N1)=O,0.0
56806,CO-ADD:0148881,0.17,c12c(cc(OCCO3)c3c1)noc2c4ccccc4,0.0
56807,CO-ADD:0149129,0.17,c(c1)c([nH]2)c(c(C(=O)C(=O)Nc(cc3c4OCO3)cc4)c2)cc1F,0.0
56808,CO-ADD:0149115,0.17,c(c1)c([nH]2)c(c(C(=O)C(=O)Nc(cc(OCC3)c4O3)cc4)c2)cc1F,0.0
56809,CO-ADD:0148916,0.17,c1(cc(Br)c(c23)cccc2)c3NC(=O)CC1c4cc5c(cc4Cl)OCO5,0.0
56810,CO-ADD:0149119,0.17,c(c1)c([nH]2)c(c(C(=O)C(=O)Nc3noc(C)c3)c2)cc1F,0.0
56812,CO-ADD:0149803,0.17,O=S(O[C@H](CC1)CC[C@@H]1OS(=O)(C)=O)(C)=O,0.0
56813,CO-ADD:0149627,0.17,CN(C(C(O)=O)=C1)C(C1=C2)=CC=C2OCCCC(CC3)CCN3CC4=CC=CC=C4,0.0
56814,CO-ADD:0149650,0.17,NC1=C2C(CCCCC2)=NC(C1=C3C4=CC=C(Cl)C=C4)=NC(C)=C3C(OCC)=O,0.0
56815,CO-ADD:0149589,0.17,CC(C(C(O)=O)=C1)=NC(C1=C2C3=CC=CC=C3)=NC(OCC)=C2C#N,0.0
56816,CO-ADD:0137666,0.17,c(C(=O)c1ccc(cc1)OC)(sc(c23)nc(cc2c4cccs4)c5cccs5)c3N,0.0
56817,CO-ADD:0137673,0.17,C1(C)(C(C)(C)OC2=O)N2CCc(c([nH]3)C)c(c3ccc4Br)c14,0.0
56818,CO-ADD:0137674,0.17,n1(CC)c2c(c(cc(cc3)C=NNC(=O)c4nonc4N)c13)cccc2,0.0
56820,CO-ADD:0148960,0.17,N1(CCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)C(=O)C4C(CCCC4)C1=O,0.0
56821,CO-ADD:0148968,0.17,N1(c2ccccc2OC)C(=O)c3c(NC1c4ccc(c(OC)c4OC)OC)cccc3,0.0
56822,CO-ADD:0148853,0.17,c1(C(=O)c2ccc(cc2)Cl)oc(c3c1N)cccc3,0.0
56823,CO-ADD:0148885,0.17,c1(c2cc(Cl)ccc2O)cc([nH]n1)c3ccc(cc3)F,0.0
56824,CO-ADD:0149604,0.17,CN(C(CN(CC1=CN(C2=CC=CC=C2)N=N1)C)=C3)C(C3=C4)=CC=C4OCCCC5CCN(CC6=CC=CC=C6)CC5.Cl,0.0
56825,CO-ADD:0149590,0.16,O=C1CC(C2=CC=CC=C2)C(C(OCC)=O)=C(C)O1,0.0
56826,CO-ADD:0149769,0.16,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=C(C=CC=C4)[N+]([O-])=O)C#N,0.0
56827,CO-ADD:0149596,0.16,C#CCN(CC1=CC2=CC(OCCCC3CCNCC3)=CC=C2N1C)C.C#CCN(CC1=CC2=CC(OCCCC3CCNCC3)=CC=C2N1C)C.Cl.Cl.Cl.Cl.O,0.0
56828,CO-ADD:0149774,0.16,NC(N=C(C(C#N)=C1C2=CC=CC=C2)N3CCCCC3)=C1C#N,0.0
56829,CO-ADD:0149633,0.16,C#CCN(C(N=C(N(CC#C)C)C(C#N)=C1)=C1C#N)C,0.0
56830,CO-ADD:0149810,0.16,CC1=C(C(C2=CC=CC=C2)C(C#N)=C(N)O1)C(OC(C)(C)C)=O,0.0
56831,CO-ADD:0140020,0.16,O=[N+](C1=CC=C(C2=CC=CC=C2NC3=CC=CC=C3)C(OC)=C1)[O-],0.0
56832,CO-ADD:0137631,0.16,c(C(=O)c1ccc(cc1)Br)(c2N)sc3c2cc(c4n3)CCCC4,0.0
56833,CO-ADD:0137710,0.16,c(c(nc(NCCc(c1)ccc(OC)c1)o2)n2)(c3N)non3,0.0
56834,CO-ADD:0137714,0.16,c(c(nc(NCc(ccnc1)c1)o2)n2)(c3N)non3,0.0
56835,CO-ADD:0148717,0.16,c1(c[nH]nc1c2ccc(cc2O)OCC)c3ccccc3OC,0.0
56836,CO-ADD:0148782,0.16,s1c(C(c2cc(OC)c(OCO3)c3c2OC)CC(N4)=O)c4nc1NC,0.0
56837,CO-ADD:0149020,0.16,c1(c2nc(C(F)(F)F)[nH]1)c(NS(c(ccc(C)c3)c3)(=O)=O)ccc2,0.0
56838,CO-ADD:0149358,0.16,c(cc1N(CC)CC)(OC(N)=C(C#N)C2c(cc3OC)ccc3OC)c2cc1,0.0
56839,CO-ADD:0148978,0.16,c1(nc(c2n1CC(=O)Nc(cc3)cc(c34)COC4=O)cccc2)c5nonc5N,0.0
56840,CO-ADD:0149138,0.16,c1(c2NC(=O)CC1c3cc(OC)c(OC)cc3)scc2,0.0
56841,CO-ADD:0149636,0.16,OC1=CC=C(C2=C1)N(C(CN(CC#C)C)=C2)C.Cl,0.0
56842,CO-ADD:0149653,0.16,NC1=C2C(CCCC2)=NC(C1=C3)=NC(OCC)=C3C#N,0.0
56843,CO-ADD:0149660,0.16,C#CCN(C(C(C#N)=C1)=NC(NCCCCC2CCN(CC3=CC=CC=C3)CC2)=C1C#N)C,0.0
56844,CO-ADD:0137697,0.16,c1(NCc2ccncc2)c(C(N)=O)nsc1,0.0
56845,CO-ADD:0137698,0.16,c1(NCc2cccnc2)c(C(N)=O)nsc1,0.0
56847,CO-ADD:0137723,0.16,Cn1c([N+](=O)[O-])cnc1C(=O)NCc2cccc(OC(F)(F)F)c2,0.0
56848,CO-ADD:0149292,0.16,c(C(CC1)CCN1)(nc2c(cc3)cc4c3OCO4)on2,0.0
56849,CO-ADD:0149160,0.16,c1(c(NC(CC1c(cc(OC)c2O)cc2OC)=O)[nH]3)cn3,0.0
56850,CO-ADD:0149176,0.16,c1(noc(c2ccc(c(O)c2)OC)n1)c(c3OC)c(Cl)c(OC)c(c34)OCO4,0.0
56851,CO-ADD:0148948,0.16,c1(c2c([nH]c1)cccc2)C(=O)C(=O)Nc3sccn3,0.0
56852,CO-ADD:0148964,0.16,c1(C(=O)c2ccc(cc2)Br)oc(c3c1N)cccc3,0.0
56854,CO-ADD:0148902,0.16,c1(c(C)nc2n1ccs2)c3csc(Nc4ccccc4Cl)n3,0.0
56855,CO-ADD:0148969,0.16,C1(N2CCc(cc(OCC)c(OCC)c3)c13)=C(c4ccc(c(OCC)c4)OCC)C(C2=O)=O,0.0
56856,CO-ADD:0148907,0.16,c(sc(n1)N)(c1C)c2csc(Nc3ccccc3Cl)n2,0.0
56857,CO-ADD:0148915,0.16,c1(nc(c2n1Cc(cccc3C(F)(F)F)c3)cccc2)c4nonc4NC(C)=O,0.0
56858,CO-ADD:0148987,0.16,c1(c2c([nH]c1)cccc2)C(=O)C(=O)Nn(cnn3)c3,0.0
56859,CO-ADD:0149045,0.15,c1(cc2c(cc1N)OCCO2)C(=O)c3cccc(Cl)c3,0.0
56860,CO-ADD:0149370,0.15,c1(ncn2c3ccc(cc3)F)c2C(CC(=O)N1)c4ccc(c(O)c4)OC,0.0
56861,CO-ADD:0149378,0.15,C(c(c1O2)ccc(OC)c1)(c(cc(OC)c(OC)c3OC)c3)C(=C2C4)C(O4)=O,0.0
56862,CO-ADD:0149367,0.15,c(cnn1C)(C(c2ccc(cc2)OC)CC(N3)=O)c13,0.0
56863,CO-ADD:0148694,0.15,c(OC1)(c(OC)c(OC)c2CC(O)CO)c(O1)c2,0.0
56864,CO-ADD:0148617,0.15,c12c(cc(\C=C\C)cc1OC)OCO2,0.0
56866,CO-ADD:0149744,0.15,NC1=C(C=C(C(N(CC#CC)CC2=CC=CC=C2)=N1)C#N)C#N,0.0
56867,CO-ADD:0149671,0.15,NC(C(C#N)=C1)=NC(N2CCCC2)=C1C#N,0.0
56869,CO-ADD:0149853,0.15,O=C(C(C#N)=C1C2=CC=CC=C2)OC3=C1C=CC4=C3C=CC=C4,0.0
56870,CO-ADD:0149705,0.15,NC1=C(C(N=C2N)=NN1)C(C3=CC=CC=C3)=C2C#N,0.0
56871,CO-ADD:0149736,0.15,CN1C(C2C3=C(N=C(CCC4)C4=C3N)OC5=C2C=CC6=C5N=CC=C6)=NC=C1,0.0
56872,CO-ADD:0149686,0.15,NC1=NC2=C(CN(CC#C)CC2)C(C3=CC=CC=C3)=C1C#N,0.0
56873,CO-ADD:0240258,0.15,O(C(CNC(=O)C(c1ccccc1)c2ccccc2)C3)c4c(O3)cccc4,0.0
56874,CO-ADD:0240772,0.15,N1(c2c(OC1=S)cccc2)CS\C(\N)=N/c3ccccc3.Cl,0.0
56875,CO-ADD:0240742,0.15,C(c1ccccc1)(=O)N\N=C\C=C(/O)\c2cccc(Br)c2,0.0
56876,CO-ADD:0240928,0.15,N12c(c(C3C(CCC3)C1)c4)c(C5C(CCC5)C2)cc4NC(=O)c6ccccc6F,0.0
56877,CO-ADD:0240615,0.15,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)\N=C\c(cccc4[N+](=O)[O-])c4)n1,0.0
56878,CO-ADD:0240596,0.15,c1(cc(ccc1Cl)NC(=O)c2ccco2)C(F)(F)F,0.0
56879,CO-ADD:0240170,0.15,c1(CN(CC2)CCO2)c3c([nH]c1C(OC)=O)cccc3,0.0
56880,CO-ADD:0240927,0.15,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCOc(cc3)ccc3C)c1C,0.0
56881,CO-ADD:0240912,0.15,n12c(nc(cc1C(F)(F)F)c3cccs3)cc(C(N)=O)n2,0.0
56882,CO-ADD:0240326,0.15,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(=O)N3CCCCC3,0.0
56883,CO-ADD:0245001,0.15,C12(Br)c(cccc3)c3C(C(C(O)=O)C1C(=O)NCc4ccccc4)(c(cccc5)c25)Br,0.0
56884,CO-ADD:0244182,0.15,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c6cccc(Cl)c6)C(OCC)=O,0.0
56885,CO-ADD:0240376,0.15,[N+](=O)([O-])c1ccc(c(c1)\N=C\c(c2c([nH]3)cccc2)c3)C,0.0
56886,CO-ADD:0240923,0.15,c1(OCC(=O)Nc(cc2)ccc2C(OCCCC)=O)c(C)cc(cc1C)C,0.0
56887,CO-ADD:0240905,0.15,c1(nonc1N)\C(=N\OCc2ccc(cc2Cl)Cl)\Nc3ccccc3C,0.0
56888,CO-ADD:0241445,0.15,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4[N+](=O)[O-])N(C)C)c4)\C1=O,0.0
56889,CO-ADD:0240125,0.15,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(O)(c2ccccc2)c3ccccc3,0.0
56890,CO-ADD:0240627,0.15,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(ccc(c3[N+](=O)[O-])OC)c3)\C1=O)=O,0.0
56891,CO-ADD:0244889,0.15,C1(C2NC(=S)N1)N(C)C(=O)N2,0.0
56892,CO-ADD:0244168,0.15,C(=O)(N\N=C\c1cccc(OC)c1O)c2cccc(C)c2,0.0
56893,CO-ADD:0244184,0.15,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)S\C(\Nc3ccccc3)=N/c4ccccc4,0.0
56894,CO-ADD:0245997,0.15,N(Cc1ccc(cc1Cl)Cl)(c(c2)c(N3Cc4ccc(cc4Cl)Cl)cc(N(CC5)CCO5)c2[N+](=O)[O-])C3=O,0.0
56895,CO-ADD:0242406,0.15,C(C#N)(C1c2ccc(cc2)SC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
56896,CO-ADD:0240567,0.15,n1c(SC)n[nH]c1NC(C)=O,0.0
56897,CO-ADD:0245043,0.15,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(=O)c3ccccc3C,0.0
56898,CO-ADD:0241384,0.15,C(OCCCCCCCCCC)(=O)Nc(cc1)ccc1OC(CC)=O,0.0
56899,CO-ADD:0245546,0.15,c1(NC(C)=O)cc(nn1Cc2cccc(Cl)c2)c3ccc(cc3)C,0.0
56900,CO-ADD:0241054,0.15,N(\C(=C\c(ccc(c1OC)OCC=C)c1)\C(O2)=O)=C2c3ccccc3,0.0
56901,CO-ADD:0244545,0.15,C(NCCCCNC(=O)N(CCCC)CCCC)(=O)N(CCCC)CCCC,0.0
56902,CO-ADD:0244560,0.15,c1(Cl)c(ccc(Cl)c1)OCC(NCCCO)=O,0.0
56903,CO-ADD:0244496,0.14,C(NCCCCCCCC)(=O)c1ccc(cc1)\N=C\c(ccc(c2OC)OC)c2,0.0
56904,CO-ADD:0241426,0.14,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(cc3)ccc3OC)n1,0.0
56905,CO-ADD:0240953,0.14,C(=N/c(cccc1C(F)(F)F)c1)(/c2c(N3)cccc2)\C3=O,0.0
56906,CO-ADD:0240373,0.14,c1(SCC(=O)Nc2cccc(Cl)c2C)sc(c3n1)cccc3,0.0
56907,CO-ADD:0240168,0.14,N1=C(c2ccc(cc2)I)CC(c3ccc(cc3)F)N1c4ccccc4,0.0
56908,CO-ADD:0240641,0.14,C1(=O)c2c(C(=O)N1C)cccc2NCCCCN3C(=O)c(c4C3=O)cccc4,0.0
56909,CO-ADD:0245397,0.14,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3ccccc3Cl.Cl,0.0
56910,CO-ADD:0244538,0.14,n(c(ccc(c1)\N=C\c2c(cccc2Br)O)c1[nH]3)c3C,0.0
56911,CO-ADD:0246188,0.14,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cc(Br)ccc2OCc3ccc(cc3Cl)Cl,0.0
56912,CO-ADD:0245942,0.14,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN4CCCC4,0.0
56913,CO-ADD:0245926,0.14,c1(N\N=C\c2ccccc2)ncc(cn1)Br,0.0
56914,CO-ADD:0245637,0.14,N1(CNc2ccccc2C)C(=S)OC(c3ccc(cc3Cl)Cl)=N1,0.0
56915,CO-ADD:0241542,0.14,c(non1)(nc(Oc(cccc2)c2N3)c3n4)c14,0.0
56916,CO-ADD:0241793,0.14,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c(cc2)ccc2C(F)(F)F,0.0
56917,CO-ADD:0241547,0.14,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)\N=C\c4c(cccc4Cl)F)n1,0.0
56918,CO-ADD:0241293,0.14,N(\C(=N/c1cccc(C)c1)\C2(N3c4ccc(cc4)I)CCCCC2)=C3SC.I,0.0
56919,CO-ADD:0244717,0.14,n1c(NNC(=O)Nc2ccccc2)ncc(F)c1NNC(=O)Nc3ccccc3,0.0
56920,CO-ADD:0246085,0.14,N1(c2ccc(c(C)c2)C)C(=O)\C(=C\c(cc3)ccc3OCc4ccccc4)\C(N(c5ccccc5)C1=S)=O,0.0
56921,CO-ADD:0245011,0.14,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(ccc(c3Cl)Cl)c3)n2)N4CCCCC4.Br,0.0
56922,CO-ADD:0242945,0.14,C12=C(C(=CNC1=O)CCC3)C3=CN(CC)C2=O,0.0
56923,CO-ADD:0242185,0.14,[C@H]1(\C(=N\NC(=O)c(c2)cc(cc2[N+](=O)[O-])[N+](=O)[O-])\[C@H]3O[C@@H]4CO3)[C@@H]4C1C(=O)c5cccs5,0.0
56924,CO-ADD:0244811,0.14,C1(=Cc2c(OC1=O)cccc2)c3csc(N\N=C/c4ccco4)n3,0.0
56925,CO-ADD:0242827,0.14,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2)ccn2)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
56926,CO-ADD:0244808,0.14,n1c(c2ccc(cc2)Cl)csc1N\N=C(/C)\c(cc3)ccc3c4ccccc4,0.0
56927,CO-ADD:0244770,0.14,C(=O)(Nc(cc(cc1NC(=O)c2c(cccc2F)F)Oc3ccccc3C)c1)c4c(cccc4F)F,0.0
56928,CO-ADD:0244728,0.14,n1(nnc(C(=O)N\N=C(/C)\c(cccn2)c2)c1CN3CCCCC3)c4nonc4N,0.0
56929,CO-ADD:0244442,0.14,N#CC(c1ccccc1)CC(C)=O,0.0
56930,CO-ADD:0240122,0.14,C(=O)(N\N=C\c1cccs1)C(O)(c2ccc(cc2)Cl)c3ccc(cc3)Cl,0.0
56931,CO-ADD:0244768,0.14,c1(s2)c(c(nn1c3ccccc3)C)cc2C(=O)n4cccn4,0.0
56932,CO-ADD:0242522,0.14,N(\C(=C/c1cccc(c1)OCc2ccccc2)\C(O3)=O)=C3c4cccc(C)c4,0.0
56933,CO-ADD:0241338,0.14,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(Cc2ccccc2)CC(=O)N\N=C\c(ccc(c3OC)OC)c3,0.0
56934,CO-ADD:0245571,0.14,n(c(c1ccccc1)c2)c3c(c2C(=O)NC4CCCCC4)cccc3Cl,0.0
56935,CO-ADD:0244882,0.14,[C@@]([H])(N(CC)C(=O)N1CC)([C@@]1([H])N2)N3C(S[C@]4([C@@H](c(c5)ccc(Br)c5)CN(C)[C@]4(C6=O)c(cc7)c(cc7)N6)C3=O)=N2,0.0
56936,CO-ADD:0242766,0.14,N(=C(N\N=C\c(cc1)ccc1Cl)NN=C2Cc3ccccc3)C2=O,0.0
56937,CO-ADD:0241826,0.14,c1(Nc(cccc2C(F)(F)F)c2)nc(N\N=C\c(ccc(c3OC)OC)c3)nc(NC)n1.Cl,0.0
56938,CO-ADD:0241790,0.14,C1(C2c(cc3)ccc3C(F)(F)F)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
56939,CO-ADD:0245339,0.14,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
56941,CO-ADD:0242946,0.14,N1(c2ccccc2)CNC(=O)C1(CC3)CCN3,0.0
56942,CO-ADD:0245866,0.14,c1(OCC(=O)N\N=C\c(cc2)ccc2OC(=O)\C=C/c3ccco3)c(Br)cc(cc1Br)C,0.0
56943,CO-ADD:0246185,0.14,c1(C(=O)N\N=C\c(cc2)cc(c2OC(=O)c3cc(F)c(cc3Cl)F)OC)nonc1N,0.0
56944,CO-ADD:0242885,0.14,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3cccc(C)c3C,0.0
56945,CO-ADD:0241861,0.14,c1(N(CC2)CCO2)nc(N\N=C\c(cccc3[N+](=O)[O-])c3)nc(NCc4ccccc4)n1,0.0
56946,CO-ADD:0244450,0.14,C1(Cl)(C(Cl)C(OC)=O)OC(=C(Cl)C1=O)c2ccccc2,0.0
56947,CO-ADD:0242373,0.14,c1(SCC(=O)CC(OCC)=O)nc(c(cccn2)c2)cc(C)c1C#N,0.0
56948,CO-ADD:0241462,0.14,c1(Nc(cccc2C(F)(F)F)c2)nc(N\N=C\c(cc3)ccc3Cl)nc(NC)n1.Cl,0.0
56949,CO-ADD:0241459,0.14,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(cc3)ccc3[N+](=O)[O-])n1,0.0
56950,CO-ADD:0241698,0.14,c1(C#N)c(C)c(CC)c(nc1SCc(cc2)ccc2C)C,0.0
56951,CO-ADD:0242052,0.13,N(C(=O)CSc1sc(c2n1)cccc2)(c3c4cccc3)c5c(S4)cccc5,0.0
56952,CO-ADD:0242602,0.13,N1(c2cccc(C)c2)C(=O)c(c3C1=O)ccc(c3)N4Cc(c5C4)cccc5,0.0
56953,CO-ADD:0240751,0.13,C12=C(CC(C)(C)CC1=O)C(Nc(ccc(cccc3)c34)c24)c5ccc(c(OCC)c5)O,0.0
56954,CO-ADD:0244181,0.13,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c6ccc(cc6)Cl)C(C)=O,0.0
56955,CO-ADD:0240126,0.13,C1(C([H])(CC(C)C)C2=C(C)N(N(c3ccccc3)C2=O)C)=C(C)N(N(c4ccccc4)C1=O)C,0.0
56956,CO-ADD:0246005,0.13,c1(C#N)c2c(sc1\N=C\c3cc(I)cc(I)c3OCc4ccccc4)CCCC2,0.0
56957,CO-ADD:0241428,0.13,c1(N(C)C)nc(N\N=C\c(cc2)ccc2O)nc(Nc(cc3)ccc3F)n1.O,0.0
56958,CO-ADD:0241393,0.13,C(=O)(c1ccc(cc1)Br)OCC(=O)c2ccc(cc2)Br,0.0
56959,CO-ADD:0244351,0.13,C(F)(F)(F)c1cccc(c1)NC(CCCC(O)=O)=O,0.0
56960,CO-ADD:0241380,0.13,c1(C(OC)=O)c(cc(cc2)OC(NCCCC)=O)c2n(C)c1C,0.0
56961,CO-ADD:0245341,0.13,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c(cc4)ccc4I)n1,0.0
56962,CO-ADD:0244566,0.13,c1(Cl)c(ccc(Cl)c1)OCC(N)=O,0.0
56963,CO-ADD:0246087,0.13,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1Nc(cc2)ccc2OCCCCCC,0.0
56964,CO-ADD:0245629,0.13,N(\C(=N/c1cccc(C)c1)\C2(N3c4c(C)ccc(c4)[N+](=O)[O-])CCCCC2)=C3SC.I,0.0
56965,CO-ADD:0244599,0.13,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc(cc2)c(C)cc2c3ccc(cc3)C,0.0
56966,CO-ADD:0241383,0.13,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)ccc2C(OCCCCCCC)=O,0.0
56967,CO-ADD:0245481,0.13,c(Nc1ccccc1)(nc(N\N=C\c2ccccc2)nc3Nc4ccccc4)n3.Cl,0.0
56968,CO-ADD:0245298,0.13,N1(c2ccccc2Cl)C(=O)C(C(C1=O)C34\C=N\c(cc5)ccc5CC)C(c(c36)cccc6)c(c47)cccc7,0.0
56969,CO-ADD:0242337,0.13,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c2ccco2,0.0
56970,CO-ADD:0244436,0.13,n1c(C)cc(C)[nH]1.Br,0.0
56971,CO-ADD:0242335,0.13,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c2cccc(cccc3)c23,0.0
56972,CO-ADD:0245365,0.13,C12(c3ccccc3)C(=O)C(C(c4ccc(c5c4)OCO5)=C1c6ccc(c7c6)OCO7)(C(C(NC8=O)=O)C28)c9ccccc9,0.0
56973,CO-ADD:0242988,0.13,C(=O)(NC(CCl)C(C)C)c1ccccc1Br,0.0
56974,CO-ADD:0242607,0.13,N1(c2ccc(c(C)c2)I)C(=O)c3c(c4C1=O)c(c(CC5)cc3)c5cc4,0.0
56975,CO-ADD:0240453,0.13,C1(C(OC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCC(OCC)=O,0.0
56976,CO-ADD:0242512,0.13,[N+](=O)([O-])c1ccc(cc1)\C=N\c2c(OC)cc(c(OC)c2)Cl,0.0
56977,CO-ADD:0242285,0.13,C(=C/c(c(OC)ccc1[N+](=O)[O-])c1)(/C2=O)\Sc(c23)cccc3,0.0
56978,CO-ADD:0240607,0.13,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)N\N=C/c(cc4)ccc4Oc5ccccc5,0.0
56979,CO-ADD:0244489,0.13,C1(C)(C)C(C1\C=C(\Cl)/Cl)C(=O)NC2CCCCC2,0.0
56980,CO-ADD:0242023,0.13,C(=O)(c1ccc(cc1)Br)NCC(=O)N\N=C\c2ccc[nH]2,0.0
56981,CO-ADD:0241718,0.13,C1(C#N)(C#N)[C@H](c2ccccc2F)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5ccc(cc5)OC,0.0
56982,CO-ADD:0246175,0.13,c1(c(O)c(cc2)c(nc1O)cc2[N+](=O)[O-])[N+](=O)[O-],0.0
56983,CO-ADD:0246157,0.13,c1(Nc2ccccc2)nc(NC)nc(N\N=C\c3cc(Br)ccc3OCc4ccc(cc4Cl)Cl)n1,0.0
56984,CO-ADD:0241322,0.13,C(C#N)(=C(C)C=C(N1\N=C\c(cc2)ccc2CC)C)C1=O,0.0
56985,CO-ADD:0245614,0.13,N1(CNc(cc2)ccc2Cl)C(=S)OC(c3ccc(cc3Cl)Cl)=N1,0.0
56986,CO-ADD:0242956,0.13,C(C#N)(C#N)(C(C)(C)CC(=C1C#N)C)C1=O,0.0
56987,CO-ADD:0245489,0.13,c1(C#N)c2c(sc1\N=C\c(cc(Br)c(c3)O)c3O)CCCC2,0.0
56988,CO-ADD:0245360,0.13,N1(C(c(cc2)ccc2C(C)C)CC(c3ccc(cc3)F)=N1)c4scc(c5ccc(c6c5)cccc6)n4.Br,0.0
56989,CO-ADD:0241321,0.13,n(c1C)(nnc1C(=O)N\N=C\c2cccc(I)c2)c3nonc3N,0.0
56990,CO-ADD:0245395,0.13,c1(N2CCCCC2)nc(N\N=C\c3cccc(cccc4)c34)nc(Nc(cc5)ccc5F)n1.Cl,0.0
56991,CO-ADD:0242918,0.13,N(C)(C(C)C1)CC(C1Nc2ccccc2)C,0.0
56992,CO-ADD:0244973,0.13,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c(cccc4[N+](=O)[O-])c4)n1,0.0
56993,CO-ADD:0245010,0.12,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(ccc(c3Cl)Cl)c3)n2)N4CCCC4.Br,0.0
56994,CO-ADD:0245068,0.12,n(c1C)(nnc1C(=O)N\N=C\c2sccc2C)c3nonc3N,0.0
56995,CO-ADD:0245007,0.12,[N+](=O)([O-])c1ccccc1\C=N\NC(=S)Nc2cccc(C)c2,0.0
56996,CO-ADD:0245527,0.12,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc3ccc(cc3C)C)Nc4ccc(cc4C)C,0.0
56997,CO-ADD:0240406,0.12,n(c1C)(nnc1C(=O)N\N=C(/C)\c2ccc(cc2)Cl)c3nonc3N,0.0
56998,CO-ADD:0244752,0.12,N1C(SCC(=O)Nc2scc(c3ccccc3)n2)=NN=C(C)C1=O,0.0
56999,CO-ADD:0240242,0.12,C1(CCC(N(CCCCCCCCCCN(C(=O)CCC2([N+](=O)[O-])[N+](=O)[O-])C2)C1)=O)([N+](=O)[O-])[N+](=O)[O-],0.0
57000,CO-ADD:0241948,0.12,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)O1)=C\c(cccc3Oc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c3,0.0
57001,CO-ADD:0242267,0.12,c1(Nc(cccc2C(F)(F)F)c2)nc(N\N=C\c3ccccc3C(F)(F)F)nc(NC)n1.Cl,0.0
57002,CO-ADD:0244461,0.12,[N+](=O)([O-])c1cc(C)ccc1NC(=O)C(Cl)(Cl)Cl,0.0
57003,CO-ADD:0245623,0.12,c1(C2(CCCCC2)\N=C\c3ccccc3Cl)nnnn1c4cccc(C)c4,0.0
57004,CO-ADD:0241195,0.12,N1(C=O)N=C(CC1(O)c2ccc(cc2)Cl)C(F)(F)F,0.0
57005,CO-ADD:0245909,0.12,C(=O)(c1ccc(cc1)I)Nc(cc2)ccc2Cc(cc3)ccn3,0.0
57006,CO-ADD:0241171,0.12,N(CN(CC1)CCN1Cc2ccccc2)C(c3ccccc3)=O,0.0
57007,CO-ADD:0244961,0.12,N1(C(=O)c(c2C1=O)ccc(c2)C(=O)Nc(ccc(c34)cccc3)c4)N5C(=O)c6c(cccc6)C5=O,0.0
57008,CO-ADD:0242167,0.12,N1(c2ccc(cc2)Cl)C(c3ccc(cc3)Br)Nc(c4C1=O)cccc4,0.0
57009,CO-ADD:0244686,0.12,[BH]1234[BH]56([BH]17([BH]58([C]9([BH]78%10%11)([BH]%12%13%14[BH]2%15%16%17)([BH]%10%12%15%18)COC(=O)Nc%19ccccc%19)[C]69%13%20COC(=O)Nc%21ccccc%21)[BH]3%11%16%18)[BH]4%14%17%20,0.0
57010,CO-ADD:0245670,0.12,S(c1ccccc1)(=O)(=O)N(c2ccccc2)CC(=O)N\N=C(/CC3)\c4c(C3)cc(OC)cc4,0.0
57011,CO-ADD:0244806,0.12,c1(nnc(c2ccc(cc2)OC)o1)NC(=O)c3ccc(c(OC)c3)OC,0.0
57012,CO-ADD:0246147,0.12,C(=C\c(ccc1c2ccc(cc2)Cl)o1)(/C(=O)c(c34)cccc3)\C4=O,0.0
57013,CO-ADD:0242959,0.12,C(CCC(=O)OC1CCCCCCCCCCC1)(=O)Nc(cccc2C(C)=O)c2,0.0
57014,CO-ADD:0241659,0.12,C12(c3c(NC1=O)cccc3)C(C(=O)OCc4ccccc4)=C(CCC)OC(N)=C2C(OCC)=O,0.0
57015,CO-ADD:0242642,0.12,S(=O)(=O)(c1ccc(cc1C)Br)n2cncc2C,0.0
57016,CO-ADD:0242365,0.12,C1(C#N)(C#N)[C@@H]([C@H]1C(N)=O)c2ccc(cc2)Cl,0.0
57017,CO-ADD:0241231,0.12,c1(S2)c(cc(c(OC(OCCCl)=O)c1Br)Cl)OC2=O,0.0
57018,CO-ADD:0245633,0.12,N1(c2ccccc2)\C(=N/N=C/c(cc3)ccc3Br)\SCC1=O,0.0
57019,CO-ADD:0242482,0.12,S(=O)(=O)(N(CC(C)C)CC(C)C)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c2cc(ccc2N(CC3)CCN3C)[N+](=O)[O-],0.0
57020,CO-ADD:0242532,0.12,C(C(=O)N\N=C\c(cc1)cc(c1OC(=O)c2cccs2)OC)(C3)=NNC3(c4ccccc4)c5ccccc5,0.0
57021,CO-ADD:0241084,0.12,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4cccc(Br)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
57022,CO-ADD:0245751,0.12,C(=C/Nc(ccc(c1Cl)F)c1)(/C2=O)\C(C(F)(F)F)=NN2c(cc3)ccc3[N+](=O)[O-],0.0
57023,CO-ADD:0240244,0.12,C(=O)(Nc1ccccc1C)Nc(cc2)c(OC)cc2c(cc3)cc(c3NC(=O)Nc4ccccc4C)OC,0.0
57024,CO-ADD:0242283,0.12,C(=C/c(cc1)ccc1N(C)C)(/C2=O)\Sc(c23)cccc3,0.0
57025,CO-ADD:0244818,0.12,C(CC)N(CN(C1=O)C(N23)C(N4C2=S)N1CN(CCC)C4)C3,0.0
57026,CO-ADD:0244225,0.12,C(C#N)(C1c2ccc(cc2)Br)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
57027,CO-ADD:0242164,0.12,n1(c(\C(\C)=N\NC(=O)c2ccccc2F)c(nn1)C)c3nonc3N,0.0
57028,CO-ADD:0241204,0.12,N1(c2cccc(Cl)c2C)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)Cl,0.0
57029,CO-ADD:0241532,0.12,c12c(nnc(SCC(=O)Nc3nnc(C)s3)n1)c4c(cccc4)n2CC,0.0
57030,CO-ADD:0241345,0.12,N1(CCc(ccc(c2OC)OC)c2)C(=S)SC(C)(C)C1N(O)C(=O)NC(C)C,0.0
57031,CO-ADD:0246116,0.12,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C/c(cc2)ccc2OC(=O)c3cccc(Br)c3,0.0
57032,CO-ADD:0245606,0.12,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
57033,CO-ADD:0245790,0.12,N1(c2cccc(C)c2C)C(=O)c3c(cc(cc3)N)C1=O,0.0
57034,CO-ADD:0240578,0.11,C(=O)(N\N=C\c1ccccc1F)C(=O)Nc2c(C)cc(cc2C)C,0.0
57035,CO-ADD:0244675,0.11,C(c1ccccc1)(=O)Oc2ccccc2\C=N\NC(CCc3ccccc3)=O,0.0
57036,CO-ADD:0245666,0.11,S(C)(=O)(=O)N(c1ccc(cc1)C)CC(=O)N\N=C\c2ccc(c(C)c2C)C,0.0
57037,CO-ADD:0241846,0.11,c1(N(CC2)CCO2)nc(N\N=C\c3cc(Br)cc(OC)c3O)nc(Nc4ccc(cc4Br)C)n1,0.0
57038,CO-ADD:0240502,0.11,C(C(OCC)=O)(=C1C)\C(=C\c2ccccc2OC)\C(N1CC=C)=O,0.0
57039,CO-ADD:0242497,0.11,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCNC(=O)c2ccc(cc2)F,0.0
57040,CO-ADD:0242572,0.11,n1c(cccc2)n2cc1c(cccc3NC(c(cc4)ccn4)=O)c3,0.0
57041,CO-ADD:0242302,0.11,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3OC)OCc(cc4)ccc4Cl)c3,0.0
57042,CO-ADD:0242443,0.11,C(NCCCCCC(OCC)=O)(=O)c1ccc(cc1)OCCC,0.0
57043,CO-ADD:0240841,0.11,N1(c(cccc2C(=O)OCC(=O)c(cc3)ccc3[N+](=O)[O-])c2)Cc4c(cccc4)C1,0.0
57044,CO-ADD:0245420,0.11,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c4ccc(cc4OC)OC)\C1=O,0.0
57045,CO-ADD:0241123,0.11,c1(c2)c(N(CCC1(C)c3ccccc3)CCC4(C)c5ccccc5)c4cc2[N+](=O)[O-],0.0
57046,CO-ADD:0242053,0.11,N(C(=O)COC(=O)\C=C\c(cc1)ccc1[N+](=O)[O-])(c2c3cccc2)c4c(S3)cccc4,0.0
57047,CO-ADD:0242596,0.11,S(=O)(=O)(c(ccc(c12)C(=O)c(c3C1=O)cccc3)c2)NC(C)c4ccccc4,0.0
57048,CO-ADD:0242605,0.11,C(O)(C(OC)=O)(NC(CF)=O)C(F)(F)F,0.0
57049,CO-ADD:0245766,0.11,C1(c2ccccc2C)=Nc(c3C(=O)O1)ccc(Cc(ccc4c5C(=O)OC(c6ccccc6C)=N4)c5)c3,0.0
57051,CO-ADD:0241075,0.11,c(C#N)(c1c2ccccc2)c(\N=C\c3cccc(I)c3)oc1c4ccccc4,0.0
57052,CO-ADD:0242319,0.11,c1(\N=C\c(ccc2c3ccc(cc3)Br)o2)c(c4ccc(c(OC)c4)O)nc(cccc5)n15,0.0
57053,CO-ADD:0241765,0.11,C1(C#N)(C#N)[C@@H](c(cccn2)c2)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C(C)(C)C,0.0
57054,CO-ADD:0245445,0.11,C(CC(C)(C)CC1=O)(Nc2ccccc2Br)=C1,0.0
57055,CO-ADD:0245453,0.11,c1(N(CC)CC)nc(Nc(cc2)ccc2Br)nc(Nc3cc(C)ccc3C)n1.Cl,0.0
57056,CO-ADD:0241673,0.11,C1(C#N)=C(C)C(CC)=C(NC1=S)C,0.0
57057,CO-ADD:0240495,0.11,N1\C(=N/C(COc2ccccc2)C(C)(C)C)\C3(N(CC(C)C)C1=S)CCCCC3,0.0
57058,CO-ADD:0242971,0.11,S(OC)(=O)(=O)c1ccccc1\C=C\c2ccccc2S(OC)(=O)=O,0.0
57059,CO-ADD:0242967,0.11,C12(CC3CC(CC(C3)C1)C2)C(C(C)SC#N)=O,0.0
57060,CO-ADD:0241956,0.11,N1(\N=C\c(ccc(c2OCC)OCc(cc3)ccc3[N+](=O)[O-])c2)C(=O)C4C(C5C=CC4CC5)C1=O,0.0
57061,CO-ADD:0242334,0.11,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c2ccccc2Br,0.0
57062,CO-ADD:0242320,0.11,c1(c2ccco2)nc(n3c1\N=C\c(cc4)ccc4Br)cccc3,0.0
57063,CO-ADD:0242392,0.11,S(=O)(=O)(N1CCCCCC1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c(ccc(c34)OCO3)c4,0.0
57064,CO-ADD:0241183,0.11,N1(c2ccc(cc2)Sc(cc3)ccc3[N+](=O)[O-])C(=O)c(c4C1=O)ccc(c4)C(OC5=O)=Nc(c56)cc(c(OC)c6)OC,0.0
57065,CO-ADD:0242477,0.11,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)\N=C\c4cc(Cl)ccc4O)n1,0.0
57066,CO-ADD:0242367,0.11,c(C(=O)C1CC1)(sc(c23)nc(cc2c4ccc(cc4)F)c5ccccc5)c3N,0.0
57067,CO-ADD:0240433,0.11,C1(=O)N(c2ccccc2)N=CC(N\N=C(\C)/c3ccc(cc3)OC)=C1Cl,0.0
57068,CO-ADD:0240710,0.11,[N+](=O)([O-])c1cccc(c1)NC(=O)c2ccc(cc2)CCCC,0.0
57069,CO-ADD:0244525,0.11,[N+](=O)([O-])c(ccc(c1\C=N/NC(=O)c2cccc(c2)NC(Cc3ccccc3)=O)O)c1,0.0
57070,CO-ADD:0240424,0.11,c1(SCC(=O)Nc(ccc(c2C)C)c2)oc(c3n1)cccc3,0.0
57071,CO-ADD:0240820,0.11,N1(c2ccccc2)CC(CC1=O)C(=O)Nc(cc3)ccc3N(C)C,0.0
57073,CO-ADD:0245676,0.1,c1(SCC(=O)Nc(ccc(c2s3)nc3SC)c2)sc4c(ccc(OCC)c4)n1,0.0
57074,CO-ADD:0242869,0.1,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
57075,CO-ADD:0241076,0.1,c1(ccc(C(NCCc2ccccc2)=O)o1)C(c3ccccc3)=O,0.0
57076,CO-ADD:0241625,0.1,c1(nnc(CCc2ccccc2)s1)NC(=O)c(cccc3[N+](=O)[O-])c3,0.0
57077,CO-ADD:0241689,0.1,C(C(=O)OC(C)C)(=C(C)OC(=C1C#N)N)C1c2cccc(Cl)c2,0.0
57078,CO-ADD:0244433,0.1,C(=O)(C(C)(C)C)NNc1ccccc1,0.0
57079,CO-ADD:0245463,0.1,c1(NC(C)=O)nonc1C(OCC)=O,0.0
57080,CO-ADD:0244372,0.1,C(=S)(c(cc1)cc(c1OC(c2ccccc2)=O)OC)N(CC3)CCO3,0.0
57081,CO-ADD:0244446,0.1,C(NC)(=O)C(O)C(C)(C)CO,0.0
57082,CO-ADD:0242409,0.1,C(C#N)(C(c(cc1OC)cc(c1OC)OC)C2=C(N3c4cccc(C)c4)CCCC2=O)=C3N,0.0
57083,CO-ADD:0242405,0.1,C(C#N)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
57084,CO-ADD:0240623,0.1,C(/CC1C)(=N/NC(CSc2ccccc2C)=O)\c3c(C1)cc(OC)cc3,0.0
57085,CO-ADD:0240382,0.1,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3c(O)ccc(cccc4)c34)c5nonc5N,0.0
57086,CO-ADD:0240849,0.1,S(=O)(=O)(c1ccc(cc1)C)NC(CSCSC)C(OC)=O,0.0
57087,CO-ADD:0240809,0.1,N1(Cc(cc2)ccc2S(=O)(=O)Nc(ccc(c34)c5c(cccc5)o3)c4)C(=O)c6c(cccc6)C1=O,0.0
57088,CO-ADD:0240816,0.1,C(/C#N)(\C(N)=S)=N/Nc(cccc1C(F)(F)F)c1,0.0
57089,CO-ADD:0242495,0.1,[N+](=O)([O-])c1c(NCCNC(=O)c2ccccc2Cl)ccc(Cl)c1,0.0
57090,CO-ADD:0244294,0.1,o1c(C)ccc1\C=N\NC(=O)c2ccc(cc2)O,0.0
57091,CO-ADD:0240983,0.1,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccc(cc2Cl)Cl)c3c(OC)ccc(OC)c3,0.0
57092,CO-ADD:0245729,0.1,c1(nonc1OC)N(Cc2ccccc2)N=Nc3nonc3OC,0.0
57093,CO-ADD:0244286,0.1,C(=O)(N\N=C\c(cc1)ccc1OC(Cc(cc2)ccc2Cl)=O)c3ccc(cc3)OC,0.0
57094,CO-ADD:0245480,0.1,c1(N(C)C)nc(N\N=C\c2ccccc2)nc(NCc3ccccc3)n1.Cl,0.0
57095,CO-ADD:0244988,0.1,C(N(CC1)CCO1)(C(F)(F)F)(C(F)(F)F)NC(c2ccccc2)=O,0.0
57096,CO-ADD:0241892,0.1,C(=C/c(ccc1c2cc(Cl)c(cc2[N+](=O)[O-])C)o1)(/C3=O)\C(=O)NC(=O)N3,0.0
57097,CO-ADD:0244443,0.1,C(C(CC)Br)(=O)Nc1ccccc1C,0.0
57098,CO-ADD:0244619,0.1,S(=O)(=O)(c1ccc(cc1)C)NNC(=O)C(O)(c2ccc(cc2)Cl)c3ccc(cc3)Cl,0.0
57099,CO-ADD:0245374,0.1,N1(NC(=O)c2ccc(cc2Cl)Cl)C(=O)C(C(C34)C1=O)C(c5c3cccc5)c6c4cccc6,0.0
57100,CO-ADD:0245555,0.1,C(Nc(ccc(c1Cl)Cl)c1)(C(OCC)=O)(NC(CC)=O)C(F)(F)F,0.0
57101,CO-ADD:0245275,0.1,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
57102,CO-ADD:0242562,0.1,n1(c(C)cc(C)n1)C(=O)c(cc2)cc(c2[N+](=O)[O-])C,0.0
57103,CO-ADD:0240817,0.1,C(=N)(N1CCCCC1)\C(\C#N)=N\Nc(cc2)ccc2F,0.0
57104,CO-ADD:0241235,0.1,n1(c2c(n3)cccc2)c3S\C(=C/c(c(Cl)cc(c4[N+](=O)[O-])O)c4)\C1=O,0.0
57105,CO-ADD:0244561,0.1,C(=O)(c1ccccn1)N\N=C(/CCCCCCCCCC2)\C2,0.0
57106,CO-ADD:0242526,0.1,N(C(=O)\C(\S1)=C/c(cc2)ccc2C)=C1N(CC3)CCO3,0.0
57107,CO-ADD:0242839,0.1,[N+](=O)([O-])c(ccc(c1\C=N\c(ccc(c23)c4c(cccc4)o2)c3)N(C)C5CCCCC5)c1,0.0
57108,CO-ADD:0244349,0.1,c1(N)n(c2ccccc2)ncc1C(OCC)=O,0.0
57109,CO-ADD:0245028,0.1,c(cc(C(O)=O)cc1[N+](=O)[O-])([N+](=O)[O-])c1NC(C)CC,0.0
57110,CO-ADD:0244418,0.09,c1(c2c(cccc2)ccc1C(C)=O)OB(F)F,0.0
57111,CO-ADD:0244924,0.09,C(N(C)C1=S)C(C(=O)N2)(C(=O)NC2=O)CN1C,0.0
57112,CO-ADD:0244403,0.09,[N+](=O)([O-])c1ccc(cc1)NC(=O)NC(=O)CCBr,0.0
57113,CO-ADD:0244316,0.09,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(ccc(c3OC)OC)c3.Cl,0.0
57114,CO-ADD:0244420,0.09,n1c(CCCCNC(NC)=S)n[nH]c1N,0.0
57115,CO-ADD:0245774,0.09,N1(c2cccc(c3ccccc3)c2)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5ccccn5,0.0
57116,CO-ADD:0245568,0.09,C(=N/NC(=O)c(cccn1)c1)(/C2=O)\c3c(N2)c(ccc3Cl)C,0.0
57117,CO-ADD:0244158,0.09,N(c1c(C)cc(cc1C)C)C(=O)C(NCCCC)=O,0.0
57118,CO-ADD:0244364,0.09,c1(cc(ccc1N2CCCCC2C)[N+](=O)[O-])[N+](=O)[O-],0.0
57119,CO-ADD:0244356,0.09,N1(C(=O)CCC1C(=O)Nc(cc2)ccc2C)C(=O)OCc3ccccc3,0.0
57120,CO-ADD:0240854,0.09,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2OC)N3CCCC3,0.0
57121,CO-ADD:0240309,0.09,C1(=Cc2c(OC1=O)cccc2)C(=O)N3CCSC3c4ccc(cc4)OC,0.0
57122,CO-ADD:0244766,0.09,c12c(c(nn1c3ccccc3)C)cc(C(=O)N\N=C\c4ccccc4OC)s2,0.0
57123,CO-ADD:0240415,0.09,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
57124,CO-ADD:0240679,0.09,C(=O)(N\N=C\c1ccc(cc1OC)OC)c(cccn2)c2,0.0
57125,CO-ADD:0240724,0.09,P(c1ccccc1)(c2ccccc2)(=O)OCc(cccc3[N+](=O)[O-])c3,0.0
57126,CO-ADD:0240559,0.09,N(\C(=C\c(cc1)ccc1OCc(cc2)ccc2Cl)\C(O3)=O)=C3c(cc4)ccc4C(C)(C)C,0.0
57127,CO-ADD:0242466,0.09,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n1,0.0
57129,CO-ADD:0240919,0.09,N1(C(=O)c2c(C(c3ccc(cc3)F)=N1)cccc2)c4cc(ccc4[N+](=O)[O-])N(CC5)CCN5C,0.0
57130,CO-ADD:0240402,0.09,n(c1C)(nnc1C(=O)N\N=C(/c2ccccc2)\c3ccccc3)c4nonc4N,0.0
57131,CO-ADD:0242955,0.09,C1(CC(OC1c2ccccc2)=O)C(=O)N(C3CCCCC3)C4CCCCC4,0.0
57132,CO-ADD:0244490,0.09,C1(C(=O)n2c(C)cc(C)n2)C(C1(C)C)\C=C(\Cl)/Cl,0.0
57133,CO-ADD:0240830,0.09,N1(CN2CCC(CC2)Cc3ccccc3)C(=O)c(c4C1=O)cccc4,0.0
57134,CO-ADD:0240331,0.09,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c3ccc(cc3Cl)Cl,0.0
57135,CO-ADD:0244723,0.09,c1(ccccc1O)\C=N\CCCCCC(O)=O,0.0
57136,CO-ADD:0244598,0.09,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(C(=O)c(ccc(c4C5=O)C(N5c6cccc(c6)[N+](=O)[O-])=O)c4)c3,0.0
57137,CO-ADD:0240265,0.09,C(=O)(C(c1ccccc1)c2ccccc2)Nc3ccccc3C(F)(F)F,0.0
57138,CO-ADD:0228817,0.09,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3N\C=C(\C(C)=NN4c5cccc(Cl)c5)/C4=O)O)c3,0.0
57139,CO-ADD:0319243,0.09,n1(Cc2ccccc2)c(SCC(=O)NCc3ccco3)nnc1c4ccccc4,0.0
57140,CO-ADD:0321440,0.09,[N+](=O)([O-])c(cc1)cc(c1C(O)=O)SCC,0.0
57141,CO-ADD:0320864,0.09,C(F)(F)(Cl)Oc(cc1)ccc1NC(NCc2ccccc2)=S,0.0
57142,CO-ADD:0223507,0.09,c1(N=Nc(ccc(c2C=O)O)c2)c(C)non1,0.0
57143,CO-ADD:0228577,0.09,N1(\N=C\C=C\c(ccc2[N+](=O)[O-])o2)C(=S)SC(C)(C)C1N(O)C(=O)Nc3cccc(Cl)c3,0.0
57144,CO-ADD:0320829,0.09,c12c(c(nn1c3ccc(cc3)C)C)cc(C(O)=O)s2,0.0
57145,CO-ADD:0320957,0.09,c12c(cc(cc1NC(=O)Cn(cnn3)n3)[N+](=O)[O-])oc(c4ccccc4)c2,0.0
57146,CO-ADD:0228809,0.09,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3Cl,0.0
57147,CO-ADD:0232461,0.09,c1(c(O)c(\C=N\c(cccc2c3oc(c4n3)ccc(C)c4)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
57148,CO-ADD:0232314,0.09,C(/C(c1ccccc1)=O)=C/C(O)=O,0.0
57149,CO-ADD:0321531,0.09,c1(c(C)c([nH]c1C)C#N)C2C(C#N)=C(N)OC(C)=C2C(OCC)=O,0.0
57150,CO-ADD:0324743,0.08,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5ccccc5OCC)cccc4,0.0
57151,CO-ADD:0319268,0.08,C(CCCCCCCCC(=O)NCc1ccco1)#C,0.0
57152,CO-ADD:0230673,0.08,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2C(C)C)CC(=O)N\N=C\c(ccc(c3OC)OCC=C)c3,0.0
57153,CO-ADD:0323980,0.08,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c2ccc(cc2)OC,0.0
57154,CO-ADD:0230495,0.08,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)N\N=C\c(cc3)ccc3OCc4ccccc4,0.0
57155,CO-ADD:0321066,0.08,C(C(OC)=O)(=CN(CCC(C1)(C2)CC(C3)CC1CC23)C=C4C(OC)=O)C4c5cccc(Br)c5,0.0
57156,CO-ADD:0323973,0.08,S(NCCC(C1)(CC(C2)CC3CC12)C3)(=O)(=O)c4ccc(c(cccc5)c45)OCC,0.0
57157,CO-ADD:0231963,0.08,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])OC,0.0
57158,CO-ADD:0319744,0.08,c12c(C(N(C)C(=O)N1C)=O)n(c(SCc(nc(N)nc3N(CC4)CCO4)n3)n2)Cc5ccccc5Cl,0.0
57159,CO-ADD:0319922,0.08,c12c(CCNC1c3ccc(c(OCC)c3)OCC)cc(c(OC)c2)OC,0.0
57160,CO-ADD:0320138,0.08,[N+](=O)([O-])c1cccc(CNC(CC2(C)C)CC(N2)(C)C)c1,0.0
57161,CO-ADD:0312016,0.08,N1(C(=O)CCN2c(ccc(c3)Cl)c3OC2=O)c(ccc(c4)Cl)c4OC1=O,0.0
57162,CO-ADD:0307484,0.08,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CCCC1=O)C2c(ccs3)c3,0.0
57163,CO-ADD:0307021,0.08,N1(c2ccccc2[N+](=O)[O-])C(=O)C(C3C1=O)CC(=C(C)C3)C,0.0
57164,CO-ADD:0304011,0.08,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c(ccc(c34)OCO3)c4,0.0
57165,CO-ADD:0302803,0.08,n1(c2ccccc2F)nnnc1SCC(=O)Nc3cccc(C)c3C,0.0
57166,CO-ADD:0303087,0.08,c1(cccs1)C(NCCOc2ccc(cc2C)Cl)=O,0.0
57167,CO-ADD:0301378,0.08,C1(C2CC(C=C2)N1C(=O)c3ccc(cc3)C)(C(F)(F)F)C(F)(F)F,0.0
57168,CO-ADD:0303473,0.08,C(C(OCC)=O)(C(=O)CC(C1C(OCC)=O)=O)C1c2ccccc2,0.0
57169,CO-ADD:0311924,0.08,n1(C)c(COc(ccc(c2C)Cl)c2)nnc1S,0.0
57170,CO-ADD:0305682,0.08,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2C)(C(=O)Nc3ccccc3OC)C1c4ccco4,0.0
57171,CO-ADD:0305666,0.08,C(=C(C)NC(=C1C#N)SCC(=O)Nc(ccc(c2Cl)C)c2)(C(=O)Nc3ccccc3C)C1c4ccccc4,0.0
57172,CO-ADD:0305868,0.08,c1(NC(COc(cc2)ccc2I)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
57173,CO-ADD:0306760,0.08,C(C(OC)=O)(=CN(Cc(cc1)ccc1F)C=C2C(OC)=O)C2c3ccc(cc3OC)OC,0.0
57174,CO-ADD:0306745,0.08,C1(=CC(=O)Oc2c1ccc(c2)OC(CC(C)C)C(OC)=O)C(F)(F)F,0.0
57175,CO-ADD:0306730,0.08,C1(C#N)=C(C)C(=C(C)NC1=O)CSCc2ccco2,0.0
57176,CO-ADD:0312238,0.08,C(C(OCC)=O)(C(c(cccc1[N+](=O)[O-])c1)N2)=C(CCC)N(C2=O)C,0.0
57177,CO-ADD:0306935,0.08,c1(N(C)C2=O)c(n(cn1)Cc3ccccc3)C(N2Cc(cc4)ccc4C)=O,0.0
57178,CO-ADD:0307161,0.08,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2)ccc2OCc3ccccc3F,0.0
57179,CO-ADD:0311141,0.08,n1(c2ccc(c(C)c2)C)nnnc1SCc3ccccc3F,0.0
57180,CO-ADD:0310988,0.08,c12c(n(c(N(CC3)CCN3)n1)C)C(N(CCOC(=O)c(cc4OC)cc(c4OC)OC)C(=O)N2C)=O.Cl,0.0
57181,CO-ADD:0228845,0.08,[N+](=O)([O-])c1cccc(c1)NC(=O)C\C(\C)=N\NC(=O)C(NCCO)=O,0.0
57182,CO-ADD:0228223,0.08,N1(Cc2ccccc2)C(=O)NC(\C(=C/c(c(OC)ccc3[N+](=O)[O-])c3)\C1=O)=O,0.0
57183,CO-ADD:0230400,0.08,C(C#N)(=C(N)OC(=C1C(C)=O)C)C1c(ccs2)c2,0.0
57184,CO-ADD:0230368,0.08,N1(c2ccc(cc2)CC)C(=O)C(CC1=O)Nc(cc3)ccc3CC,0.0
57185,CO-ADD:0230346,0.08,c1(SCc2ccccc2Cl)oc(c3n1)cccc3,0.0
57186,CO-ADD:0223520,0.08,C(=C\Nc(cc1)c(Cl)cc1[N+](=O)[O-])(/C(=O)NC(N2)=O)\C2=O,0.0
57187,CO-ADD:0320950,0.08,c12c(cc(cc1NC(=O)c3ccc(cc3F)F)[N+](=O)[O-])oc(c4ccccc4)c2,0.0
57188,CO-ADD:0228715,0.07,N1(CCc2ccccc2)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
57189,CO-ADD:0228876,0.07,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc(cc3)c(C)cc3C(C)(C)C)=O)o1,0.0
57190,CO-ADD:0321431,0.07,c1(C(OCC)=O)c(Cl)nc(c(Cl)c1Nc(cc2)ccc2OC(F)(F)F)Cl,0.0
57191,CO-ADD:0321408,0.07,c1(C#N)c(Oc2ccccc2)cc(cc1S(=O)Cc3ccccc3)Oc4ccccc4,0.0
57192,CO-ADD:0228534,0.07,N12C(S\C(=C/c3ccccc3I)\C1=O)=C(C(c4ccccc4I)C(C#N)=C2N)C#N,0.0
57193,CO-ADD:0230672,0.07,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
57194,CO-ADD:0235537,0.07,N1C(=O)\C(\SC1=N)=C/c2cc(Br)cc(Br)c2OCc3ccc(cc3Cl)Cl,0.0
57195,CO-ADD:0324900,0.07,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc4cc(on4)C)n2,0.0
57196,CO-ADD:0324389,0.07,c1(S(CC)(=O)=O)c(C(=O)c2ccc(cc2)CC)n(c3c1S(CC)(=O)=O)ccc(C(C)(C)C)c3,0.0
57197,CO-ADD:0232036,0.07,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br,0.0
57198,CO-ADD:0324405,0.07,N12C(S\C(=C/c(ccc3c(ccc(c4Cl)F)c4)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
57199,CO-ADD:0230580,0.07,C(=O)(N\N=C\c1ccc(C)o1)C(=O)NCc2ccco2,0.0
57201,CO-ADD:0223150,0.07,c1(\C=N\NC(COc(ccc(c2C)C)c2)=O)c(C)cc(cc1O)O,0.0
57202,CO-ADD:0223164,0.07,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2cccc(O)c2,0.0
57203,CO-ADD:0223503,0.07,c(c(C)nn1c2ccc(cc2)Cl)(\C=C(/C(=O)NC(N3)=S)\C3=O)c1O,0.0
57204,CO-ADD:0223466,0.07,C(=O)(Nc1ccccc1)c(cc2OC)cc(c2OC)OC,0.0
57205,CO-ADD:0223449,0.07,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c2ccccc2OC,0.0
57206,CO-ADD:0320191,0.07,c1(snc(Cl)c1NC(OC)=O)S(=O)(=O)Cc2ccccc2,0.0
57207,CO-ADD:0305538,0.07,[N+](=O)([O-])c1c(NCCNC(=O)c2ccccc2F)ccc(Cl)c1,0.0
57208,CO-ADD:0305489,0.07,S(=O)(=O)(c1ccc(cc1)CC)N2CCCC2C(OC)=O,0.0
57209,CO-ADD:0307131,0.07,C(OC)(F)(C(F)(F)F)C(=O)Nc1scc(c2ccc(cc2)C)n1,0.0
57210,CO-ADD:0302969,0.07,[nH](c(cccc1)c1c2CCC(=O)N\N=C\c(ccc(c3O)OC)c3)c2,0.0
57211,CO-ADD:0303207,0.07,c1(NC(Cc(cc2)ccc2OC)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
57212,CO-ADD:0301382,0.07,C(C(F)(F)F)(C(F)(F)F)(C(C(C)=O)C(C)=O)NC(=O)c(cccn1)c1,0.0
57213,CO-ADD:0303119,0.07,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1F)Nc2sc(c(CC)c2C#N)C,0.0
57214,CO-ADD:0301404,0.07,c1(CC(=O)Nc2ccccc2)c(Sc3ccccc3)c(c4n1Cc5ccccc5)cccc4C,0.0
57215,CO-ADD:0303099,0.07,c12c(n(c(Sc3nc(c4n3CC(OCC)=O)cccc4)n1)C)C(N(C)C(=O)N2C)=O,0.0
57216,CO-ADD:0304481,0.07,c1(noc(Cc2ccccc2)n1)c3nonc3N,0.0
57217,CO-ADD:0303549,0.07,c1(SCC(=O)c2ccc(cc2)Br)nnc[nH]1,0.0
57218,CO-ADD:0303777,0.07,n1c(c2ccc(cc2)F)csc1\C(\C#N)=C\c3cc(OC)ccc3OC,0.0
57219,CO-ADD:0302022,0.07,c1(cc(Cl)ccc1N(CC2)CCN2C(=O)c3ccc(cc3)F)[N+](=O)[O-],0.0
57220,CO-ADD:0302417,0.06,n1(N)c(SCc(cc2)ccc2OC(F)(F)C(F)F)nnc1c3ccccc3,0.0
57221,CO-ADD:0303166,0.06,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C/c3cc(Br)ccc3OCCOc(cc(CC)cc4C)c4)\C1=O)=O,0.0
57222,CO-ADD:0301482,0.06,C(C(OCC)=O)(C1c2ccc(cc2)F)=CN(C=C1C(OCC)=O)c3ccc(cc3)OCC,0.0
57223,CO-ADD:0307017,0.06,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)C(C3C1=O)CC(=C(C)C3)C,0.0
57224,CO-ADD:0312326,0.06,N1(CC(=O)c2ccc(cc2)Br)c3c(N(CC)C1=N)cccc3.Br,0.0
57225,CO-ADD:0312415,0.06,C(c1ccccc1)(CC2)(CCN2CC(=O)Nc3ccccc3Cl)C(OCC)=O.Cl,0.0
57226,CO-ADD:0306352,0.06,N1(\N=C\c2ccccc2)c(cccc3)c3C(c4ccc(cc4)C)(c5ccc(cc5)C)C1=O,0.0
57227,CO-ADD:0311660,0.06,c12c(C(N(C)C(=O)N1C)=O)n(c(SCc(cc3)ccc3F)n2)Cc4ccccc4C,0.0
57228,CO-ADD:0312329,0.06,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(c(OC)c4)OC)c5ccc(cc5)Br,0.0
57229,CO-ADD:0306932,0.06,n1(c2ccc(cc2)OC)nnnc1SCC(=O)N\N=C\c3ccccc3OCCC,0.0
57230,CO-ADD:0311937,0.06,S(=O)(=O)(N1CCCCC1)c2ccc(Br)s2,0.0
57231,CO-ADD:0306043,0.06,N(Cc1ccccc1)(C(=O)C(C23)C(c4ccc(cc4O)O)NC2(CC(C)C)C(O)=O)C3=O,0.0
57232,CO-ADD:0305483,0.06,c1(cc(OCO2)c2cc1[N+](=O)[O-])C3N(CCCN3Cc4ccccc4)Cc5ccccc5,0.0
57233,CO-ADD:0311147,0.06,C12(CC3CC(CC(C3)C1)C2)C(C(=O)c4ccc(cc4)Cl)C(=O)C(F)(F)F,0.0
57234,CO-ADD:0311033,0.06,c1(C(CC(N2)=O)c3ccc(c(Br)c3)F)c2cc(C)c(C)c1,0.0
57235,CO-ADD:0306287,0.06,c1(C(=O)NCC(OC)=O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])S(=O)Cc2ccccc2,0.0
57236,CO-ADD:0312445,0.06,n1(c2ccccc2)c(SCc(cc3)ccn3)nnc1c4ccco4,0.0
57237,CO-ADD:0311698,0.06,c1(nc(C(F)(F)F)cc2c3ccccc3)n2c4c(cccc4)n1,0.0
57238,CO-ADD:0306987,0.06,C(OC)(F)(C(F)(F)F)C(=O)Nc(cc1)ccc1OC(F)(F)F,0.0
57239,CO-ADD:0307614,0.06,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(=O)c3cccc(F)c3)F,0.0
57240,CO-ADD:0312198,0.06,c1(cc(ccc1N2CC(CC2C3)(C)CC3(C)C)C(O)=O)[N+](=O)[O-],0.0
57241,CO-ADD:0223509,0.06,n(c1ccc(cc1C)C)(nc(c2\C=C(\C(C)=NN3c4ccc(cc4)C)/C3=O)C)c2O,0.0
57242,CO-ADD:0230565,0.06,[N+](=O)([O-])c(cccc1C(=O)Nc(cc2)ccc2F)c1,0.0
57243,CO-ADD:0320760,0.06,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)N=C(c3ccc(cc3)C)N1,0.0
57244,CO-ADD:0324309,0.06,c12c(CCNC1c3cccc(OC)c3)cc(c(OCC)c2)OCC.Cl,0.0
57245,CO-ADD:0323128,0.06,c1(nn(c2n1)c(C)cc(C)n2)S(=O)(=O)N(CC)CC,0.0
57246,CO-ADD:0324680,0.06,c1(nc(c2n1CC(C)C)cccc2)c3nonc3NC(CC)=O,0.0
57247,CO-ADD:0324557,0.06,N1(Cc(cc2)ccc2F)\C(=N\c(cc3)ccc3OC)\SC(C(=O)Nc4ccccc4OC)CC1=O,0.0
57248,CO-ADD:0230584,0.06,C(=O)(N\N=C\c1ccc(C)o1)C(=O)Nc(cc2)ccc2CC,0.0
57249,CO-ADD:0323445,0.06,S(=O)(=O)(CC(C12)CC(N1c(cccc3C(F)(F)F)c3)=O)C2,0.0
57250,CO-ADD:0324358,0.06,C1(=C(CCCC1=O)OC(=C23)CCCC2=O)C3c4ccc(cc4)OCc5ccccc5F,0.0
57251,CO-ADD:0230507,0.06,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4C,0.0
57252,CO-ADD:0232469,0.06,n1c2c(oc1c3cccc(c3)\N=C\c(cc4)ccc4\C=N\c(cccc5c6oc(c7n6)cccc7C)c5)cccc2C,0.0
57253,CO-ADD:0232510,0.06,c(\C=N\c(cc1)ccc1C(OCC)=O)(c(C)c2Cl)c(O)c(c2C)Br,0.0
57254,CO-ADD:0323989,0.06,N1(CCCCCC(=O)NC(c2ccc(cc2)OC)CC(O)=O)C(=O)c3c(cccc3)C1=O,0.0
57255,CO-ADD:0323352,0.06,n(c(c1ccc(cc1)Cl)c2c(c3Nc(cc4)ccc4OCC(OC)=O)cccc2)n3,0.0
57256,CO-ADD:0324167,0.05,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
57257,CO-ADD:0228258,0.05,[N+](=O)([O-])c(cc1)cc(c1C(NCCOC)=O)Cl,0.0
57258,CO-ADD:0228204,0.05,S(=O)(=O)(N(CC1)CCO1)c2c(OC)ccc(c2)C(=O)N3CCCCC3,0.0
57259,CO-ADD:0320592,0.05,n1c2c([nH]c1S)cccn2,0.0
57260,CO-ADD:0312205,0.05,N1(Cc2ccccc2)\C(=N\c3ccccc3)\SC(C(=O)Nc4ccc(cc4C)C)CC1=O,0.0
57261,CO-ADD:0312050,0.05,c12c(n(c(N(CC3)CCO3)n1)CC\N=C\N(C)C)C(N(C)C(=O)N2C)=O.Cl,0.0
57262,CO-ADD:0306954,0.05,C1(=O)Nc2c(Oc(cc(cc3Oc(cc4)ccc4NC(C)=O)[N+](=O)[O-])c13)cccc2,0.0
57263,CO-ADD:0301867,0.05,C(C(OC)=O)(C1c2ccccc2Cl)=C(C)N(C(C)=C1C(OC)=O)C,0.0
57264,CO-ADD:0302972,0.05,n1c(C(=O)OCC(=O)c2ccc(cc2)C)cc(C34CC(CC(C5)C3)CC5C4)n1c6ccccc6,0.0
57265,CO-ADD:0301801,0.05,n1(nc2c(cccc2)n1)c3cc(C(C)(C)CC)cc(C(C)(C)CC)c3O,0.0
57266,CO-ADD:0302047,0.05,C(=C\c(ccc1Sc(cc2)ccc2Cl)o1)(/C(=O)NC(N3)=O)\C3=O,0.0
57267,CO-ADD:0302151,0.05,N1(c2cccc(OC)c2)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
57268,CO-ADD:0301772,0.05,C(/SC(N1CC)=S)(\C1=O)=C(\c2c(N3)cccc2)/C3=O,0.0
57269,CO-ADD:0305355,0.05,C(c1ccccc1)(CN(CC2)CCO2)C(=O)c3ccc(cc3)OCCCCC.Cl,0.0
57270,CO-ADD:0301553,0.05,C(c1ccccc1)(=O)N2CCC(CC2)C(O)=O,0.0
57271,CO-ADD:0303494,0.05,c1(C(N(CC2)CCO2)c3ccccc3Cl)nnnn1c4ccc(cc4)Cl,0.0
57272,CO-ADD:0304140,0.05,c1(OC)c(OC)cc(cc1I)C=O,0.0
57273,CO-ADD:0302655,0.05,[N+](=O)([O-])c(cc1)cc(c12)SNC2=O,0.0
57274,CO-ADD:0301322,0.05,C(=O)(Nc1ccccc1C(C)C)c2ccccc2N,0.0
57275,CO-ADD:0301679,0.05,N(CC1C)(CC(O1)C)C(=O)c2ccccc2NC(=O)c3ccc(cc3)C,0.0
57276,CO-ADD:0312349,0.05,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=C\C(=O)Nc3cccc(C)c3)o2,0.0
57277,CO-ADD:0312007,0.05,c1(SCC(c2ccccc2)=O)nnc[nH]1,0.0
57278,CO-ADD:0305652,0.05,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cc(Cl)cc(Cl)c3)C2c4ccccc4,0.0
57279,CO-ADD:0305644,0.05,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3Cl)C2c(cc4)ccn4,0.0
57280,CO-ADD:0305651,0.05,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3F)C2c4ccccc4,0.0
57281,CO-ADD:0311568,0.05,c1(nc(C)c(n2)C)n2cc(c3ccc(cc3)OC)n1,0.0
57282,CO-ADD:0311588,0.05,C(=C/c(c(cccc1)c1n2CCOc3ccccc3F)c2)(/C(=O)NC(N4CC)=O)\C4=O,0.0
57283,CO-ADD:0312456,0.05,c1(N(C)C)nc(NCc2ccccc2)nc(Nc(cc3)ccc3OC(F)(F)Cl)n1,0.0
57284,CO-ADD:0311778,0.05,C(=O)(C(O)(c1ccc(cc1)C)c2ccc(cc2)C)NN(C(C)c3ccc(cc3)C)C(c4ccccc4)=O,0.0
57285,CO-ADD:0320300,0.05,C12(CC(CC3C1)CC(C3)C2)N(CC4)CCN4C(=O)c5cccs5,0.0
57286,CO-ADD:0303637,0.05,C1(=S)NC(NN1c2ccc(cc2)C)(CCC)CC,0.0
57287,CO-ADD:0223754,0.05,S(c1ccccc1)(=O)(=O)N\N=C\c2c3c(cccc3)cc(cccc4)c24,0.0
57288,CO-ADD:0301439,0.05,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3cccc(OC)c3,0.0
57289,CO-ADD:0302416,0.05,c1(C#N)c2c(CCCC2)c3c(CCCC3)c1N,0.0
57290,CO-ADD:0232263,0.05,N1\C(=N/N=C/c2ccccc2O)\S\C(=C\c(ccc3c4ccc(cc4Cl)[N+](=O)[O-])o3)\C1=O,0.0
57291,CO-ADD:0223177,0.05,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccco3)=C\c4cccs4,0.0
57292,CO-ADD:0323560,0.04,N1(c(cc2)ccc2C(C)C)CC(CC1=O)C(=O)Nc3ccc(cc3Br)Br,0.0
57293,CO-ADD:0321318,0.04,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)ccc3OCCOc4ccccc4OC)\C2=N,0.0
57294,CO-ADD:0321350,0.04,n1(c2c(n3)cccc2)c3S\C(=C/c4cccc(c4)OCc5ccccc5F)\C1=O,0.0
57295,CO-ADD:0324682,0.04,c12c(n(c(SCC(=O)N3c4c(C(CN(C)CC5)C35)cc(C)cc4)n1)CC)C(N(C)C(=O)N2C)=O,0.0
57296,CO-ADD:0230581,0.04,N(=C(\C)/c(cc1)ccc1C(C)(C)C)/NC(=O)c2cccc(Br)c2,0.0
57297,CO-ADD:0321479,0.04,N1C(=O)CC(SC1=N)C(=O)Nc2ccc(cc2Cl)Cl,0.0
57298,CO-ADD:0323875,0.04,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5OC)c2,0.0
57299,CO-ADD:0320896,0.04,C(=O)(c1c(cccc1F)F)NC(=O)Nc2c(cccc2F)F,0.0
57300,CO-ADD:0323684,0.04,S(=O)(=O)(N(CC)Cc1ccccc1)c2nc(C)c(c(C)c2C#N)Cl,0.0
57301,CO-ADD:0232497,0.04,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br,0.0
57302,CO-ADD:0323596,0.04,C(=O)(CN(CC1)CCN1C)Nc(ccc(c2Br)C)c2.Cl,0.0
57303,CO-ADD:0223498,0.04,c(c(C)nn1c2ccc(cc2)C)(\C=C(/C(=O)NC(N3)=O)\C3=O)c1O,0.0
57304,CO-ADD:0312206,0.04,N1(Cc(cc2)ccc2OC)\C(=N\c3ccccc3)\SC(C(=O)Nc(cc4)ccc4OC)CC1=O,0.0
57305,CO-ADD:0306822,0.04,c1(C(OCC)=O)c(CC2)c(sc1N)CN2C(C)=O,0.0
57306,CO-ADD:0307250,0.04,c1(Cl)nc(C)cc(C)c1NC(NCCCC)=O,0.0
57307,CO-ADD:0311174,0.04,c1(c2c(sc1NC(=O)c(cc3)cc(c3[N+](=O)[O-])C)CCCC2)C(=O)OC(C)C,0.0
57308,CO-ADD:0320064,0.04,c12n(c3c(cccc3)cc1c4ccc(c5n4)cccc5)c(cc2C(C)=O)C(c6ccccc6)=O,0.0
57309,CO-ADD:0319689,0.04,N(c1c(cccc1)NC(CC(c2ccc(cc2)OC)CC3=O)=C34)(C(=O)c(cc5OC)cc(c5OC)OC)C4c(cccn6)c6,0.0
57310,CO-ADD:0306989,0.04,C(OC)(F)(C(F)(F)F)C(=O)Nc1cccc(Cl)c1C(O)=O,0.0
57311,CO-ADD:0311179,0.04,n(CC(O)COc(cc1)ccc1C(C)C)(c2c(n3)cccc2)c3CC,0.0
57312,CO-ADD:0301270,0.04,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(cc3)ccc3OC,0.0
57313,CO-ADD:0302881,0.04,c1(c2ccc(cc2)NC(COc3ccccc3)=O)ncc(cn1)c4ccc(cc4)NC(COc5ccccc5)=O,0.0
57314,CO-ADD:0302944,0.04,C(C(OCC)=O)(N(C)NC(N1c2ccccc2)c(ccc(c34)OCO3)c4)=N1,0.0
57315,CO-ADD:0304243,0.04,N1(c2ccccc2Cl)C(CSc3nccn3Cc4ccccc4)=Nc(c5C1=O)cccc5,0.0
57316,CO-ADD:0304333,0.04,N(=C\c(ccc(c1O)O)c1)/NC(CCCO)=O,0.0
57317,CO-ADD:0302088,0.04,c1(sccn1)NC(CSCc(cc2)ccc2Cl)=O,0.0
57318,CO-ADD:0304776,0.04,c1(c(OCC)cc(cc1Br)C=O)OC(=O)c2cccs2,0.0
57319,CO-ADD:0305264,0.04,n1(c2c(C)cccc2C)nnnc1C(C)(C)NC,0.0
57320,CO-ADD:0300439,0.04,N1(c2ccc(cc2)Cl)C(=O)C(N(CCCN(CC3)CCO3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
57321,CO-ADD:0300743,0.04,c1(C=O)cc(ccc1O)N=Nc(ccc(c2C)C)c2,0.0
57322,CO-ADD:0304645,0.04,C12=C(C=C(C)NC1=O)C(N(N)C2=O)=O,0.0
57323,CO-ADD:0300990,0.03,c1(cc(ccc1Oc2ccccc2C(=O)NC(CC(CC3C4)CC45)(C5)C3)C(F)(F)F)[N+](=O)[O-],0.0
57324,CO-ADD:0302895,0.03,C1(OCC2(CO1)CC(CC23)C=C3)(c4c(N5CN6CCCCC6)cccc4)C5=O,0.0
57325,CO-ADD:0304257,0.03,S(NCCOc1ccccc1C(C)C)(=O)(=O)c2ccc(c3c2)cccc3,0.0
57326,CO-ADD:0301650,0.03,n1c(c(cc2)ccc2C3CCCCC3)csc1\C(\C#N)=C/c(cco4)c4,0.0
57327,CO-ADD:0304307,0.03,N1(C2)C(SCC1=O)=NCN2c(cc3)ccc3C(OCC)=O,0.0
57328,CO-ADD:0301441,0.03,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3ccc(c(Br)c3)OC,0.0
57329,CO-ADD:0303079,0.03,c1(ccccc1F)C(=O)NCC(NCCOc2ccccc2Cl)=O,0.0
57330,CO-ADD:0307328,0.03,S(=O)(=O)(c1ccc(cc1)NC(Cc(cc2)ccc2Cl)=O)Nc3nccc(C)n3,0.0
57331,CO-ADD:0306934,0.03,n1(c2ccc(cc2)OC)nnnc1SCc(nc(N)nc3N(CC4)CCO4)n3,0.0
57332,CO-ADD:0310996,0.03,c1(C(=O)c2ccc(cc2F)F)sc3c(c(COC)cc(C)n3)c1N,0.0
57333,CO-ADD:0312408,0.03,C(/Nc1ccc(cc1F)F)(\Nc2nc(C)cc(C)n2)=N\C(=O)c3ccc(cc3)F,0.0
57334,CO-ADD:0305490,0.03,c1(scc(c2ccc(cc2)Br)n1)N(CCn(c34)c(cc3)C)C4C,0.0
57335,CO-ADD:0311367,0.03,C(C(OC)=O)(Nc1ccc(cn1)C)(NC(C)=O)C(F)(F)F,0.0
57336,CO-ADD:0306135,0.03,C(C(C)=O)(C1c2ccc(cc2)Br)=C(O)C(N1CC(OCC)=O)=O,0.0
57337,CO-ADD:0307551,0.03,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(F)c3)F,0.0
57338,CO-ADD:0223188,0.03,c1(c(O)c(\C=N\NC(CNc2cccc(C)c2)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
57339,CO-ADD:0228722,0.03,c1(cnc(cc1c2ccccc2)C(O)=O)C(O)=O,0.0
57340,CO-ADD:0230342,0.03,C1(c2cccc(I)c2)N(c3ccc(cc3)C)CCN1c4ccc(cc4)C,0.0
57341,CO-ADD:0321305,0.03,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OCC)OCCOc(ccc(c4C)C)c4)c3)\C1=N,0.0
57342,CO-ADD:0321489,0.03,C12(CC(N=C1SC)(C)C)C(C)=CC(=C(CC(N=C3SC)(C)C)C2=C3)C,0.0
57343,CO-ADD:0223775,0.03,C(CCCCCCCC(=O)NCc1ccccc1)(=O)NCc2ccccc2,0.0
57344,CO-ADD:0230612,0.03,c12c(ccc(cccc3)c13)c(C)cc(C)n2.Cl,0.0
57345,CO-ADD:0223732,0.03,c1(Br)c2c(cccc2)ccc1OC(CC)C(=O)N\N=C\c3cc(Br)ccc3OC,0.0
57346,CO-ADD:0323604,0.03,C1(C(F)(F)F)(C(F)(F)F)N=C(C)NC2=C1C(=O)NC(N2CCc(ccc(c3OCC)OCC)c3)=O,0.0
57347,CO-ADD:0223485,0.03,C(=C\c1ccc(cc1OC)OC)(/C(C)=NN2c3ccc(cc3)C)\C2=O,0.0
57348,CO-ADD:0235343,0.03,C12=C(CC(C)(C)CC1=O)C(Nc(ccc(cccc3)c34)c24)c(ccc5c6c(Cl)ccc(c6)[N+](=O)[O-])o5,0.0
57349,CO-ADD:0230469,0.03,n1c(c2ccc(cc2)SC)[nH]c(c3ccc(cc3)Oc(cc4)ccc4c5c(c(cc6)ccc6[N+](=O)[O-])[nH]c(c7ccc(cc7)SC)n5)c1c(cc8)ccc8[N+](=O)[O-],0.0
57350,CO-ADD:0228956,0.03,C(=C\c(ccc(c12)OCO1)c2)(/c3c4cccc3)\c5c4ccc(C(CCCCN6CCCCC6)=O)c5,0.0
57351,CO-ADD:0311682,0.03,n1(c2ccc(cc2)OC)nnnc1SCC(=O)Nc3c(C)cc(cc3C)C,0.0
57352,CO-ADD:0307088,0.03,N(CC1)(CCN1C)c2ccc(cc2F)\C(\C)=N\Nc3ccccc3,0.0
57353,CO-ADD:0312381,0.03,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(c(Cl)c3)Cl,0.0
57354,CO-ADD:0311034,0.03,c1(C(CC(N2)=O)c3cccc(F)c3)c2cc(C)c(C)c1,0.0
57355,CO-ADD:0307239,0.03,c1(C2c3ccc(cc3)F)c([nH]nc1c4ccc(cc4)F)OC(N)=C2C#N,0.0
57356,CO-ADD:0311099,0.03,C1(CCCCC1)(C(=O)OC(C23CCCCC2)c4ccc(cc4)F)C3=O,0.0
57357,CO-ADD:0302361,0.03,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)Nc2nnc(c3cccs3)s2)c1,0.0
57358,CO-ADD:0301507,0.02,S(=O)(=O)(Nc1cc(C)ccc1C)c2c(C)ccc(nsn3)c23,0.0
57359,CO-ADD:0300686,0.02,C(=O)(Oc1cccc(c1)C=O)c(ccc(c23)OCO2)c3,0.0
57360,CO-ADD:0301198,0.02,N1(C2c3ccc(cc3)F)C(S\C(=C/c4ccccc4OCC#N)\C1=O)=NC(c5ccccc5)=C2C(OCC)=O,0.0
57361,CO-ADD:0304869,0.02,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)OCCCCCCCC)c5ccc(cc5)Cl,0.0
57362,CO-ADD:0304258,0.02,C(C)(CO1)(COC1c2ccc(cc2)OC)C(O)=O,0.0
57363,CO-ADD:0301643,0.02,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4cc(F)ccc4F)cc(c(C)c3)C,0.0
57364,CO-ADD:0303505,0.02,c1(NC(CSc2nc(C)cc(n2)C(F)(F)F)=O)cc(on1)C,0.0
57365,CO-ADD:0303773,0.02,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SC)C2c3ccccc3Cl,0.0
57366,CO-ADD:0303538,0.02,C(=C(C)NC(=C12)CC(CC1=O)(C)C)(C(=O)Nc3ccccc3C)C2c4ccccc4OCC,0.0
57367,CO-ADD:0302893,0.02,C1(O)(c2c(NC1=O)ccc(Br)c2)C3CCc(c4C3=O)cccc4,0.0
57368,CO-ADD:0301247,0.02,C1(c2cc(OC)c(cc2OC)OC)C(=CNC=C1C(OC)=O)C(OC)=O,0.0
57369,CO-ADD:0302565,0.02,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(=C3C1c4ccc(c(O)c4)OC)CCCC3=O,0.0
57370,CO-ADD:0303467,0.02,c1(NC(=O)C(CC(N2C3CCCCC3)=O)C2)sc(c4c1C#N)CCCC4,0.0
57371,CO-ADD:0301937,0.02,N1\C(=N\N=C(/C)\c2ccc(cc2)CC)\SC(CC(O)=O)C1=O,0.0
57372,CO-ADD:0302776,0.02,N1(CC)\C(=N\CC)\S\C(=C\c(c(cccc2)c2n3Cc4ccccc4F)c3)\C1=O,0.0
57373,CO-ADD:0310813,0.02,C1(=O)Nc2c(Oc(cc(cc3OCc4ccccc4)[N+](=O)[O-])c13)cccc2,0.0
57374,CO-ADD:0310811,0.02,[n+]1([O-])onc(cc(Br)cn2)c12,0.0
57375,CO-ADD:0312143,0.02,c12c(nnc(SCC(=O)N(CC3)CCO3)n1)c(c4n2C(C)C)cccc4,0.0
57376,CO-ADD:0307432,0.02,C(=C(\C)/O)(/C1=O)\C(c2ccco2)CC(c3ccco3)=C1,0.0
57377,CO-ADD:0311625,0.02,C(=N\c(cc1)ccc1OC(F)(F)Cl)(/SC(C(=O)Nc(cc2)ccc2C(OC)=O)CC3=O)\N3C,0.0
57378,CO-ADD:0312395,0.02,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(c(OC)c3)OCc4ccccc4,0.0
57379,CO-ADD:0312346,0.02,C1(O)(C(F)(F)F)NN=C(C=Cc(cccc2)c23)N13,0.0
57380,CO-ADD:0311172,0.02,c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc(c(C)c1C(OC)=O)C,0.0
57381,CO-ADD:0228606,0.02,N1(c2cccc(C)c2)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
57382,CO-ADD:0228261,0.02,N(C(C)=O)(C(C)=O)c1ccc(cc1OC(C)=O)Cc(cc2)cc(c2N(C(C)=O)C(C)=O)OC(C)=O,0.0
57383,CO-ADD:0230397,0.02,N1(CNc(ccc(c23)c4c(cccc4)o2)c3)C(=O)CCC1=O,0.0
57384,CO-ADD:0324867,0.02,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c3ccccc3OCCOc(cc4)ccc4Br)\C1=N,0.0
57385,CO-ADD:0228887,0.02,c1(ccc(\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)o1)c4ccc(cc4Cl)Cl,0.0
57386,CO-ADD:0324611,0.02,n1(c2ccccc2)nc(c(CCC(O)=O)c1O)C,0.0
57387,CO-ADD:0230233,0.02,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(=O)c(cccc2NC(=O)c3ccc(cc3)C)c2,0.0
57388,CO-ADD:0228735,0.02,c1(cc(ccc(c2)C)c2n3)c3c4c(cccc4)C1=O,0.0
57389,CO-ADD:0228030,0.01,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O,0.0
57390,CO-ADD:0323507,0.01,c1(noc(Cc2ccccc2OC)n1)c3nonc3N,0.0
57391,CO-ADD:0323348,0.01,N(c1c(cccc1)NC(CC(c2ccc(cc2)OC)CC3=O)=C34)(C(=O)c5ccc(c(Cl)c5)Cl)C4c6ccc(cc6)C,0.0
57392,CO-ADD:0230812,0.01,C(F)(F)(C([H])(F)F)Oc1ccccc1NC(=O)C(=O)N\N=C\c2cc(Cl)ccc2O,0.0
57393,CO-ADD:0230447,0.01,N1(c2ccc(cc2)Oc3ccccc3)C(=O)c4c(cc(cc4)Oc5ccccc5)C1=O,0.0
57394,CO-ADD:0323764,0.01,C1(=C(C)NC(NC1=O)=O)S(NCCc(c2c([nH]3)cccc2)c3C)(=O)=O,0.0
57395,CO-ADD:0306723,0.01,[N+](=O)([O-])c(cc1)ccc1C(=O)\C=C\c2ccccc2,0.0
57396,CO-ADD:0305476,0.01,S(=O)(=O)(N(C)C)Nc1cccc(N)c1,0.0
57397,CO-ADD:0319721,0.01,c12c(CCNC1c3ccc(c(OC)c3)OCC)cc(c(OC)c2)OCC,0.0
57398,CO-ADD:0320057,0.01,N1(CCOC(CC(CC23)CC4C2)(C3)C4)C(C)(O)C(OC1=O)(C)C,0.0
57399,CO-ADD:0319755,0.01,S(=O)(=O)(Nc(cc1)ccc1OC(F)(F)Cl)c(ccc(c2O3)NC3=O)c2,0.0
57400,CO-ADD:0320075,0.01,c12c(ccc(C(=O)NCc3ccccc3)c1SCC)C(=O)c(c4C2=O)cccc4,0.0
57401,CO-ADD:0311145,0.01,c12c(CCCC1C(OCC)=O)c3c(ccc(Cl)c3)[nH]2,0.0
57402,CO-ADD:0311195,0.01,c1(C(O)=O)[nH]nc(c2ccc(cc2)Cl)c1,0.0
57403,CO-ADD:0310965,0.01,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)OC)Nc2sc(c(C)c2C(OCC)=O)c3ccccc3,0.0
57404,CO-ADD:0310957,0.01,C(Nc(cc1)ccc1OC(F)(Cl)F)(C(OC)=O)(C(F)(F)F)NC(=O)c2ccccc2OC,0.0
57405,CO-ADD:0302778,0.01,C(=C/c(cnn1c2ccc(c(C)c2)C)c1)(/C(C)=NN3c(ccc(c4C(O)=O)Cl)c4)\C3=O,0.0
57406,CO-ADD:0303318,0.01,C(C#N)(C(c1ccc(cc1)C)CC(N2)=O)=C2SCC(OC(C)C)=O,0.0
57407,CO-ADD:0302700,0.01,c1(OC(N)=C(C2c3cccc(c3)OC(=O)N(CC4)CCO4)C#N)c2c(n[nH]1)C,0.0
57408,CO-ADD:0302541,0.01,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(ccc(c5[N+](=O)[O-])C)c5)cccc4,0.0
57409,CO-ADD:0304354,0.01,[N+](=O)([O-])c(cc1)ccc1C2CCCCC2,0.0
57410,CO-ADD:0304346,0.01,n12c(ccc(cccc3)c13)nnc2c(cc4)cc(c4Oc(cc5)ccc5[N+](=O)[O-])OC,0.0
57411,CO-ADD:0303011,0.01,N1(CCc(cc(Br)cc2)c12)C(CCC3CCCC3)=O,0.0
57412,CO-ADD:0301248,0.01,n1c(c(cc2)ccc2[N+](=O)[O-])onc1c3ccc(cc3)Cl,0.0
57413,CO-ADD:0301536,0.01,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCO3)n2)CC(=O)c4ccc(cc4)Br,0.0
57414,CO-ADD:0307366,0.01,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3)ccc3OC(=O)c4cc(F)c(cc4Cl)F,0.0
57415,CO-ADD:0311675,0.01,N1(c(cc2)ccc2C(OCC)=O)C(=O)\C(\SC1=N)=C\c(cc3)ccc3N(CC4)CCO4,0.0
57416,CO-ADD:0311432,0.01,N1=C(S)S\C(=C\c(cccn2)c2)\C1=O,0.0
57417,CO-ADD:0312344,0.01,C(/C(=O)c1c2cccc1)(\C2=O)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
57418,CO-ADD:0311665,0.01,c1(n(CCC#N)c2c(cccc2)n1)c3nonc3NC(C)=O,0.0
57419,CO-ADD:0305552,0.01,c1(c(NCCNC(=O)c2ccc(cc2)C)ccc(c1)[N+](=O)[O-])C(F)(F)F,0.0
57420,CO-ADD:0307129,0.01,n(c(c1ccc(cc1)OC)c2c(c3Nc(cc4)ccc4OC(F)(F)Cl)cccc2)n3,0.0
57421,CO-ADD:0311652,0.01,c1(Nc(cc2)ccc2OC)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
57422,CO-ADD:0311190,0.01,N(C1c2ccc(c(OC)c2)OC)(C(=O)C(=C1C(=O)c3ccc(cc3)C)O)c4sc(c5n4)cccc5,0.0
57423,CO-ADD:0311029,0.01,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3cc4c(cc3Cl)OCO4,0.0
57424,CO-ADD:0306072,0.01,C(C(OCC)=O)(C1C2CCCCC2)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
57425,CO-ADD:0307242,0.01,c(nn(c12)c(C)cc(C)n1)(n2)S(=O)(=O)Nc3c(Cl)ncc(Cl)c3OC,0.0
57426,CO-ADD:0305684,0.01,C(/C#N)(\C(c1ccccc1Cl)CC(c2ccccc2)=O)=C(/SCC(=O)Nc3ccc(cc3C)C)\NC(c4ccccc4)=O,0.0
57427,CO-ADD:0305653,0.01,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3c(OC)cc(c(OC)c3)Cl)C2c4ccccc4,0.0
57428,CO-ADD:0228234,0.01,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2ccccc2,0.0
57429,CO-ADD:0228257,0.01,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)N\N=C\c(cc4)ccc4O,0.0
57430,CO-ADD:0230595,0.0,C(=O)(N\N=C\c1ccccc1OCCCC)c2cccc(Br)c2,0.0
57431,CO-ADD:0228578,0.0,N1(c2ccc(cc2C)C)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
57432,CO-ADD:0228881,0.0,C(=O)(Nc1ccc(cc1C)I)C(C(F)(F)F)C(F)(F)F,0.0
57433,CO-ADD:0230493,0.0,N(=C\c1cccc(OC)c1)/NC(CCCc(ccc(c2C)OC)c2)=O,0.0
57434,CO-ADD:0324428,0.0,N1(CCCCCC(=O)NC(Cc(cc2)ccc2O)C(O)=O)C(=O)c(c3C1=O)cccc3,0.0
57435,CO-ADD:0324844,0.0,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc3Sc(cc4)ccc4Cl)o3)\C2=N,0.0
57436,CO-ADD:0323713,0.0,C(/C(OCC)=O)(\C(N)=O)=C(/OC)\C(=O)CC(=O)c1ccc(cc1)C,0.0
57437,CO-ADD:0323641,0.0,n1(CC(=O)N(Cc2ccccc2)C3(CCCCC3)C(=O)Nc(cc4)ccc4C)nnnc1N,0.0
57438,CO-ADD:0228692,0.0,C1(NCC(c(cc2)ccc2[N+](=O)[O-])O1)c3ccccc3OC,0.0
57439,CO-ADD:0323380,0.0,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5C(NC)=O)c2,0.0
57440,CO-ADD:0323685,0.0,n1cn[nH]c1SCc2ccccc2,0.0
57441,CO-ADD:0323637,0.0,C(C)(C)(C(=O)O1)C(=O)C(C1\C(\c2ccccc2)=N\Nc3ccccc3)(C)C,0.0
57442,CO-ADD:0323102,0.0,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c(ccc(c3F)F)c3)c2C,0.0
57443,CO-ADD:0230239,0.0,[N+](=O)([O-])c(ccc(c1C(=O)N\N=C\c(cc2)ccc2C#N)O)c1,0.0
57444,CO-ADD:0312067,0.0,C(CSCC(=O)Nc(cc1)ccc1OCCCCC)(=O)Nc2ccccc2,0.0
57445,CO-ADD:0307406,0.0,n1(c2ccc(c(Cl)c2)F)nnnc1SCc(nc(N)nc3N(CC4)CCO4)n3,0.0
57446,CO-ADD:0307544,0.0,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5cccc(O)c5)cccc4,0.0
57447,CO-ADD:0311119,0.0,S(NCCOc(ccc(c1C)C)c1)(=O)(=O)c(cc2)ccc2N3CCCC3=O,0.0
57448,CO-ADD:0320132,0.0,c(NC(CSc1nnnn1c2ccc(cc2)OC)=O)(c(C(N)=O)nn3c4ccccc4)n3,0.0
57449,CO-ADD:0312331,0.0,N1(C(C)c2ccccc2)C(C)(O)C(OC1=O)(C)C,0.0
57450,CO-ADD:0307240,0.0,c1(C2c3ccc(c(OC)c3)OC)c([nH]nc1c4ccc(cc4)F)OC(N)=C2C#N,0.0
57451,CO-ADD:0304369,0.0,N1(C(OC)=O)c(cc2)c(OC1=O)cc2S(=O)(=O)N3CCCCC3,0.0
57452,CO-ADD:0301974,0.0,c1(cc(n2)C)n2c(c(C)c(C)n1)C,0.0
57453,CO-ADD:0300832,0.0,N1(c2cccc(C)c2C)NC(NC1=S)(C)CCCC,0.0
57454,CO-ADD:0303821,0.0,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c4ccc(cc4)Br,0.0
57455,CO-ADD:0302701,0.0,c1(cc(ccc1Sc2[nH]cc(c3ccccc3)n2)C(OC)=O)[N+](=O)[O-],0.0
57456,CO-ADD:0301647,0.0,n12c(ccc(Sc3nc(C)cc(C)n3)n1)nnc2C(F)(F)F,0.0
57457,CO-ADD:0302548,0.0,N1C(=O)\C(\SC1=S)=C/c2ccccn2,0.0
57458,CO-ADD:0311817,0.0,C(C(OC)=O)(NC(CC)=O)(C(F)(F)F)Nc1sc2c(CCC(C(C)(C)C)C2)c1C#N,0.0
57459,CO-ADD:0311923,0.0,c1(c(C)nn(c2ccccc2)c1Cl)C3N(CCN3Cc4ccccc4)Cc5ccccc5,0.0
57460,CO-ADD:0311968,0.0,c1(cc(oc1C)CC(C)C)C(=O)Nc2cccc(cccc3)c23,0.0
57461,CO-ADD:0306058,0.0,C(C#N)(C(c1ccc(c(OC)c1)OC)C([n+]2ccccc2)C(N3)=O)=C3O.[Cl-],0.0
57462,CO-ADD:0306109,0.0,N(CC1)(CCN1C)c2ccc(cc2F)C(CC)=O,0.0
57463,CO-ADD:0306861,0.0,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]n4)c2c4C(C)C,0.0
57464,CO-ADD:0306013,0.0,C1(=S)N(C)NC(C)(CCCC)N1,0.0
57465,CO-ADD:0312501,0.0,C(C1[C@@H]2C(N(C1)c3cccc(C(F)(F)F)c3)=O)=C(C4[C@H]2C(=O)O)SC=C4,0.0
57466,CO-ADD:0312539,0.0,[C@H]([C@H]12)(O[C@]3([C@@H]4C(=O)N(c5ccccc5)C3)[C@H]1I)[C@@H]4C(=O)O2,0.0
57467,CO-ADD:0306212,0.0,C(c1ccccc1)(C(C)=O)C#N,0.0
57468,CO-ADD:0228514,0.0,C1(C#N)(C#N)C(c2cccc(Cl)c2)C3C(C(C#N)=C1N)=CCC(C(C)(C)C)C3,0.0
57469,CO-ADD:0228506,0.0,C(C#N)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)Oc3c1c(O)ccc3\C=N/c4ccccc4,0.0
57470,CO-ADD:0230897,0.0,c1(c(cc2Cl)c(Cl)cc2c3[nH]c(c(c4ccccc4)n3)c5ccccc5)[nH]c(c(c6ccccc6)n1)c7ccccc7,0.0
57471,CO-ADD:0323913,0.0,C(=O)(Nc1ccccc1)Nc(c(C)cc(n2)C)c2C,0.0
57472,CO-ADD:0230464,0.0,c1(c(O)c(\C=N\c(ccc(c23)OCCO2)c3)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
57473,CO-ADD:0319615,0.0,c1(C2c3ccccc3F)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
57474,CO-ADD:0321375,0.0,c1(N(CC(CC2C(N34)=CC=CC3=O)C4)C2)nc(OC)nc(OC)n1,0.0
57475,CO-ADD:0223180,0.0,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc(cc3)ccc3Cl)=O)o1,0.0
57476,CO-ADD:0223702,0.0,c1(\C=N\NC(=O)c2ccc(cc2)Br)cc(OC)ccc1Br,0.0
57477,CO-ADD:0230085,0.0,C(C(N)c1ccc(cc1)Cl)C(O)=O,0.0
57478,CO-ADD:0324303,0.0,c12c(n(c(Oc(cc3)ccc3Oc4c(Cl)cc(cn4)Cl)n1)CC)C(N(C)C(=O)N2C)=O,0.0
57479,CO-ADD:0223683,0.0,c1(\C=N\NC(=O)c2ccc(cc2)OCc3cccc(Br)c3)c(cccc1Cl)Cl,0.0
57480,CO-ADD:0223532,0.0,C(=O)(c1cccc(Br)c1)NCC2CCCO2,0.0
57481,CO-ADD:0305502,0.0,c1(C(NCCNC(C)=O)=O)nonc1N,0.0
57482,CO-ADD:0310800,0.0,c1(C2c(cc3OCC)cc(c3OC(=O)N(CC4)CCO4)Br)c([nH]nc1c5ccc(c(Cl)c5)Cl)OC(N)=C2C#N,0.0
57483,CO-ADD:0320332,0.0,n1(CC=C)c(SCC(=O)Nc2nnc(c3ccccc3)s2)nnc1c(cccn4)c4,0.0
57484,CO-ADD:0311054,0.0,c1(nncn1\N=C\c(cc(OCC)c(c2[N+](=O)[O-])O)c2)n3c(C)cc(C)n3,0.0
57485,CO-ADD:0310950,0.0,n1(C2CCCCC2)c(SCC(=O)Nc(cc3)ccc3c4sc5c(ccc(C)c5)n4)nnc1c6ccccc6,0.0
57486,CO-ADD:0302787,0.0,[nH]1c2c(nc1SCc3ccc(cc3Cl)F)cccn2,0.0
57487,CO-ADD:0303967,0.0,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)Nc3ccc(cc3Cl)Cl,0.0
57488,CO-ADD:0303678,0.0,C(=C\c(ccc(c1[N+](=O)[O-])N2CCc(c3C2)cccc3)c1)(/C4=O)\C(=O)NC(=O)N4,0.0
57489,CO-ADD:0301927,0.0,[N+](=O)([O-])c(cc1)ccc1C(=O)c2ccc(cc2C)C,0.0
57490,CO-ADD:0300777,0.0,O1C(C(CC)CC)C2C(OC1c(cc3)ccc3[N+](=O)[O-])CCCC2,0.0
57491,CO-ADD:0300617,0.0,C(C(=O)OC(C)CC)(=C(C)NC(=C12)CCCC1=O)C2c3cccs3,0.0
57492,CO-ADD:0305291,0.0,c12c([nH]nc1c3ccc(cc3)F)OC(=C(C#N)C24c5c(NC4=O)cccc5)N,0.0
57493,CO-ADD:0302481,0.0,C1(CSC(CC2CC=C(C)C2(C)C)N1)C(O)=O,0.0
57494,CO-ADD:0302686,-0.01,c1(no[n+]2[O-])c2c(nnc1c3ccc(c(Cl)c3)Cl)c4ccc(c(Cl)c4)Cl,0.0
57495,CO-ADD:0302710,-0.01,C(/C(CCC1)=O)(\C1=O)=C(/N)\CC(CC2=O)CC(N2)=O,0.0
57496,CO-ADD:0303058,-0.01,[n+]([O-])(n(C\C(\C)=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])nc2[N+](=O)[O-])c2[N+](=O)[O-],0.0
57497,CO-ADD:0303037,-0.01,c1(c2c([nH]c1)cccc2)C(Nc(cc3)ccc3OC)P(OC)(OC)=O,0.0
57498,CO-ADD:0302739,-0.01,N1(CC(COc2ccccc2)OC(c(cccc3[N+](=O)[O-])c3)O1)C(c4ccccc4)=O,0.0
57499,CO-ADD:0303316,-0.01,C1(C#N)=C(SCC(OC(C)C)=O)NC(=O)CC1c2ccccc2Cl,0.0
57500,CO-ADD:0302822,-0.01,C(=O)(NC(C)(C)Cc(cc1)ccc1O)CC(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
57501,CO-ADD:0303658,-0.01,N1(c2ccccc2C(OCC)=O)C(C)=CC(NC1=S)(C)C,0.0
57502,CO-ADD:0302427,-0.01,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2cc(OC)c(cc2Cc3nccc(cc(c(OC)c4)OC)c34)OC,0.0
57503,CO-ADD:0302461,-0.01,N1(CNc2ccccc2[N+](=O)[O-])\C(\SCC1=O)=N/CNc3ccccc3[N+](=O)[O-],0.0
57504,CO-ADD:0303183,-0.01,C(C(OCCc1ccccc1)=O)(C(c2cccs2)N3)=C(C)N(C3=O)C,0.0
57505,CO-ADD:0302965,-0.01,C(=N/NC(N)=S)(/c(cc(OCCC)cc1)c12)\c(cc(OCCC)cc3)c23,0.0
57506,CO-ADD:0303622,-0.01,N1(c2ccccc2C)C(=O)\C(=C\NCCN(CC)CC)\C(NC1=O)=O,0.0
57507,CO-ADD:0303576,-0.01,N1(c2ccccc2OC)C(=O)C(C(c3ccccn3)C(C(=O)NC(N4c5ccccc5OC)=S)C4=O)C(NC1=S)=O,0.0
57508,CO-ADD:0307358,-0.01,n(n(Cc1cccc(F)c1)nn2)c2c3ccc(cc3)F,0.0
57509,CO-ADD:0312156,-0.01,n(c1c(CCCCC1)cc2C#N)c2SCC(NCCc3ccccc3)=O,0.0
57510,CO-ADD:0310810,-0.01,c1(C2c(cc3OC)cc(c3O)Cl)c([nH]nc1c(cc4OC)cc(c4OC)OC)OC(N)=C2C#N,0.0
57511,CO-ADD:0312186,-0.01,n1(cncc1c(cc2)ccc2[N+](=O)[O-])CC(=O)N(CC3)CCO3,0.0
57512,CO-ADD:0305888,-0.01,c1(c2c(sc1NC(COc(cc3)cc(c3[N+](=O)[O-])C)=O)CCCC2)C(=O)OC(C)C,0.0
57513,CO-ADD:0307357,-0.01,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(cc4)ccc4OCC5CC5)\C1=O,0.0
57514,CO-ADD:0305928,-0.01,c1(NC(COc2ccc(cc2Br)Cl)=O)sc(c3c1C(N)=O)CCCC3,0.0
57515,CO-ADD:0311656,-0.01,n1(c2ccc(cc2)Cl)nnnc1SCC(=O)Nc3c(C)cc(cc3C)C,0.0
57516,CO-ADD:0310962,-0.01,C(Nc(cc1)ccc1OC(F)(F)F)(C(OC)=O)(C(F)(F)F)NC(=O)c2ccco2,0.0
57517,CO-ADD:0311444,-0.01,C(=N/c1ccccc1)(/SC(C(=O)Nc(cc2)ccc2F)CC3=O)\N3CCc(cc4)ccc4OC,0.0
57518,CO-ADD:0306739,-0.01,C(=O)(CS(C)=O)c1ccccc1O,0.0
57519,CO-ADD:0312524,-0.01,c1(S(=O)(N2C[C@](O[C@@]3(C)C4)(C=C3)[C@@H]4C2)=O)cc([N+]([O-])=O)ccc1,0.0
57520,CO-ADD:0312565,-0.01,C1=C[C@]2(O[C@H]13)[C@]([C@@](COC2)(C(C4=O)C5C(=O)N4c6ccccc6)O[C@@H]57)([C@@]37[H])[H],0.0
57521,CO-ADD:0305693,-0.01,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cccc(Cl)c2C)(C(=O)Nc3ccccc3C)C1c4ccco4,0.0
57522,CO-ADD:0223776,-0.01,c1(ccccn1)NCc(cc2)ccc2OC,0.0
57523,CO-ADD:0323595,-0.01,N1(O)C(C)(C)CC(CC1(C)C)OC(C)=O.Cl,0.0
57524,CO-ADD:0228343,-0.01,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc(cc2C(=O)NC(C)(C)C)C(=O)NC(C)(C)C)c2,0.0
57525,CO-ADD:0230293,-0.01,n1c2c(cccc2)ncc1c3cccs3,0.0
57526,CO-ADD:0324693,-0.01,n1c(c2ccc(cc2)OC)nnn1CC(=O)Nc(cc3)ccc3OC(F)(F)Cl,0.0
57527,CO-ADD:0324702,-0.01,c(c1)(cc(cn1)Br)C(=O)NCc2ccccn2.Cl,0.0
57528,CO-ADD:0311813,-0.01,c1(C#N)c(SCC(=O)Nc(cc2)ccc2Br)nsc1SCC(=O)Nc(cc3)ccc3Br,0.0
57529,CO-ADD:0312296,-0.01,n1c(C)ccc(cccc2SCC(=O)Nc(cc3)ccc3CC)c12,0.0
57530,CO-ADD:0307351,-0.01,N1(c2c(C)cccc2C)C(=O)c3c(cc(cc3)F)C1=O,0.0
57531,CO-ADD:0307501,-0.02,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OC(C)=O,0.0
57532,CO-ADD:0311490,-0.02,C1(=NCC(C)S1)N(c2ccc(cc2)OC(F)(F)Cl)C(=O)Nc(cc3)ccc3Cl,0.0
57533,CO-ADD:0312106,-0.02,c1(cc(F)c(cc1Cl)F)C(=O)N2CCCCCC2,0.0
57534,CO-ADD:0301991,-0.02,C1(C2c3ccc(cc3)OC)=C(CCCC1=O)c4c(ccc5c4cccn5)N2,0.0
57535,CO-ADD:0303548,-0.02,c1(oc(c2n1)cccc2)c(cc3Cl)c(Cl)cc3c4oc(c5n4)cccc5,0.0
57536,CO-ADD:0303002,-0.02,C1(C#N)(C(OCC)=O)C(c2ccccc2)C(CCCC3)C3=C(C#N)C1=O,0.0
57537,CO-ADD:0302946,-0.02,C(C(OCC)=O)(N(C)NC(N1c2ccc(cc2)Cl)c(ccc(c34)OCO3)c4)=N1,0.0
57538,CO-ADD:0305307,-0.02,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)F)Nc2sc(c3c2C#N)CC(CC3)C,0.0
57539,CO-ADD:0304851,-0.02,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)OCCCCCCCC)c5ccccc5,0.0
57540,CO-ADD:0304875,-0.02,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(OCCCCCC)c4)c5ccc(cc5)Cl,0.0
57541,CO-ADD:0302394,-0.02,N(C(c1ccccc1)=O)C(=S)Nc2c(Cl)ccc(Cl)c2,0.0
57542,CO-ADD:0302368,-0.02,c1(sccn1)NC(=O)CN(CC2)CCN2c3ccc(cc3)Cl,0.0
57543,CO-ADD:0304414,-0.02,C1(=S)N(c2ccccc2)NC(C)(CC(=O)Nc3ccccc3)N1,0.0
57544,CO-ADD:0304406,-0.02,C(=C\NCCCC(C)C)(/C1=O)\C(=O)NC(=O)N1,0.0
57545,CO-ADD:0303570,-0.02,N1(c2cccc(OC)c2)C(=O)\C(=C\c3ccc(C)o3)\C(NC1=S)=O,0.0
57546,CO-ADD:0303564,-0.02,C(C#N)(C(CC(N1)=O)c2ccc(c(OCC)c2)O)=C1SCC(=O)Nc3ccc(cc3C)C,0.0
57547,CO-ADD:0304208,-0.02,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)NCc(cc3)ccc3CC,0.0
57548,CO-ADD:0304201,-0.02,N1(c2ccc(cc2)OC)C(C)(CC)Nc(c3C1=O)cccc3,0.0
57549,CO-ADD:0301286,-0.02,c1(SCc2ccccc2Cl)n(CC)c3c(cccc3)n1,0.0
57550,CO-ADD:0301631,-0.02,c1(NC(=O)c2cccs2)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
57551,CO-ADD:0302981,-0.02,C12C(C(NC1(C(O)=O)Cc(c3c([nH]4)cccc3)c4)c5ccccc5O)C(N(CC)C2=O)=O,0.0
57552,CO-ADD:0303190,-0.02,[N+](=O)([O-])c1ccc(cc1)CC(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
57553,CO-ADD:0311276,-0.02,S(c1ccccc1)(=O)(=O)N(CC(O)CN(Cc2ccccc2)Cc3ccccc3)c4c(OC)ccc(c4)[N+](=O)[O-],0.0
57554,CO-ADD:0305772,-0.02,[N+]1(CCc2ccccc2)=NO\C(=N\C(=O)c(cc3OC)cc(c3OC)OC)\[CH-]1,0.0
57555,CO-ADD:0307399,-0.02,N1C(c2ccc(c(OCC)c2)OCc(ccc3C(OC)=O)o3)SCC1C(O)=O,0.0
57556,CO-ADD:0306703,-0.02,N(=C\c(cc1)ccc1Cl)/C(CC(C)C)C(=O)[O-].[Na+],0.0
57557,CO-ADD:0305803,-0.02,c1(scc(c2ccccc2)c1C(OCC)=O)NC(=O)c3c(Cl)ccc(c3)[N+](=O)[O-],0.0
57558,CO-ADD:0306273,-0.02,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2cc3c(cc2Cl)OCO3,0.0
57559,CO-ADD:0306864,-0.02,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]n4)c2c4C(C)C,0.0
57560,CO-ADD:0305712,-0.02,N1(c2c(OC1=O)cccc2)C(=O)CCN3c4c(SC3=O)cccc4,0.0
57561,CO-ADD:0305812,-0.02,c1(NC(=O)c2ccccc2Br)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
57562,CO-ADD:0311849,-0.02,c12c(n(c(Cl)n1)CCS(c3ccccc3)(=O)=O)C(N(C)C(=O)N2C)=O,0.0
57563,CO-ADD:0307497,-0.02,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cc(OC)c(cc4OC)OC,0.0
57564,CO-ADD:0306984,-0.02,C(OC)(F)(C(F)(F)F)C(=O)Nc1cccc(OCCCCCC)c1,0.0
57565,CO-ADD:0311517,-0.02,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccs4,0.0
57566,CO-ADD:0311360,-0.02,N1=C(SCCN(C)C)NC(C(CCC)=C1O)=O.Cl,0.0
57567,CO-ADD:0306252,-0.02,C(C(=O)OC(C)CC)(C1c(cc2)ccc2C(F)(F)F)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
57568,CO-ADD:0305494,-0.02,c1(cc(oc1C)C)C(=O)N2CCCC2C(O)=O,0.0
57569,CO-ADD:0305794,-0.02,c1(NC(COc(cccc2C(F)(F)F)c2)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
57570,CO-ADD:0305789,-0.02,c1(NC(=O)C(C)Oc2ccccc2Br)sc(c3c1C(OCC)=O)CCCC3,0.0
57571,CO-ADD:0320139,-0.02,N1(CCCN2C(C)(O)C(OC2=O)(C)C)C(C)(O)C(OC1=O)(C)C,0.0
57572,CO-ADD:0323246,-0.02,c(C(OCC)=O)(sc(c12)nc(c(Cl)c1C)C)c2N,0.0
57573,CO-ADD:0232186,-0.02,c1(\C=N\c(cc2)ccc2c3oc(c4n3)cccc4)c(O)c(OC)cc(Br)c1Br,0.0
57574,CO-ADD:0320806,-0.02,C1(Nc(cc(Oc(cc2)ccc2F)cc3[N+](=O)[O-])c3)OC(CO)C(C(O)C1O)O,0.0
57575,CO-ADD:0320822,-0.02,[N+](=O)([O-])c(c1)cc(cc1C(NCCOc(cc2)ccc2F)=O)C(NCCOc(cc3)ccc3F)=O,0.0
57576,CO-ADD:0230401,-0.02,c1(C#N)c(c(cc2)ccc2N(C)C)c3c(nc1N)CCCCCC3,0.0
57577,CO-ADD:0230254,-0.02,C(OC)(=O)c1ccc(cc1)OCc(cc2)ccc2Cl,0.0
57578,CO-ADD:0230255,-0.02,C(=O)(N\N=C\c1ccccc1)c2ccc(cc2)OCc3ccccc3,0.0
57579,CO-ADD:0223576,-0.02,c1(SCC(=O)N\N=C\c2cccc(F)c2)sc(c3n1)cccc3,0.0
57580,CO-ADD:0223643,-0.02,s1c(\C=N\NC(COc2ccccc2C)=O)ccc1Br,0.0
57581,CO-ADD:0324439,-0.02,S(=O)(=O)(NC(CC)C12CC3CC(CC(C3)C1)C2)c4c(OC)ccc(OC)c4,0.0
57582,CO-ADD:0324689,-0.02,n1(CC=C)c(SCC(=O)Nc2c(C)cc(cc2C)C)nnc1c3cccs3,0.0
57583,CO-ADD:0321222,-0.03,N1(CCCC(=O)ON2C(C)(C)CC(CC2(C)C)OC(C)=O)C(=O)c(c3C1=O)cccc3,0.0
57584,CO-ADD:0228381,-0.03,c1(c(Br)cc(c(cccn2)c12)Br)OC(=O)c3ccccc3C,0.0
57585,CO-ADD:0228792,-0.03,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3[N+](=O)[O-])Cl)c3,0.0
57586,CO-ADD:0310830,-0.03,c1(cc(F)c(cc1N2CCCCC2)N3CCCCC3)[N+](=O)[O-],0.0
57587,CO-ADD:0305769,-0.03,c1(NC(=O)c2ccc(cc2)Cl)sc(c3c1C(OCC)=O)CCCCC3,0.0
57588,CO-ADD:0305677,-0.03,C(=C(C)NC(=C1C#N)SCC(=O)Nc2ccccc2C)(C(=O)Nc3ccccc3OC)C1c4ccco4,0.0
57589,CO-ADD:0305887,-0.03,c1(NC(=O)c2cccc(Br)c2)sc(c(C)c1C(OC)=O)C,0.0
57590,CO-ADD:0312012,-0.03,C1(=Cc(cccc2OC)c2OC1=O)c3csc(Nc4ccccc4OC)n3,0.0
57591,CO-ADD:0302955,-0.03,c12c(ccc(Br)c1)nc(nc2c3ccccc3)O,0.0
57592,CO-ADD:0301744,-0.03,N(\C(=C/c(cccc1[N+](=O)[O-])c1)\C(O2)=O)=C2c3cccc(OC)c3,0.0
57593,CO-ADD:0304187,-0.03,N1(c2cccc(Cl)c2)C(c3ccc(c(OCC)c3)OCc4ccc(cc4Cl)Cl)Nc(c5C1=O)cccc5,0.0
57594,CO-ADD:0304627,-0.03,n1(C2CCCCC2)nnnc1SCC(=O)Nc3ccccc3F,0.0
57595,CO-ADD:0302638,-0.03,c1(NC(=O)CC2c3ccccc3C)c2ccc(cccc4)c14,0.0
57596,CO-ADD:0302680,-0.03,S(=O)(=O)(c(ccc1c2c3c(o1)cccc3)c2)N4CCCc(cccc5)c45,0.0
57597,CO-ADD:0304014,-0.03,C1(C(OCCCc2ccccc2)=O)=C(C)NC(=O)CC1c(cccc3[N+](=O)[O-])c3,0.0
57598,CO-ADD:0304270,-0.03,C(c1ccccc1)(=O)N(Cc2cccc(c2)OCc(cc3)ccc3Cl)c4ccc(cc4)C,0.0
57599,CO-ADD:0303003,-0.03,C1(=Cc2c(OC1=O)cccc2)c(csc3\C(\C#N)=C(/CCCC4C)\C4)n3,0.0
57600,CO-ADD:0302436,-0.03,C(CC(N1CCOc2ccccc2)=O)(C1)C(O)=O,0.0
57601,CO-ADD:0301678,-0.03,N1(Cc2cccc(Br)c2)C(=O)c3c(C(c4ccccc4)=N1)cccc3,0.0
57602,CO-ADD:0302998,-0.03,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(NCCNc4ccc(cc4[N+](=O)[O-])Cl)=O,0.0
57603,CO-ADD:0305829,-0.03,c1(NC(=O)c2ccccc2OCC)sc(c3c1C#N)CCC3,0.0
57604,CO-ADD:0305523,-0.03,[N+](=O)([O-])c1ccc(cc1NCc(cccn2)c2)N(CC3)CCO3,0.0
57605,CO-ADD:0310992,-0.03,c1(C(=O)c2ccc(cc2Cl)Cl)sc3c(c(COC)cc(C)n3)c1N=[N+]=[N-],0.0
57606,CO-ADD:0311804,-0.03,c1(ncnc(cccc2)c12)N(CC3)CCN3c4ncnc(cccc5)c45,0.0
57607,CO-ADD:0311315,-0.03,c(cc1Cl)(OC(=O)C=C2C)c2cc1OC(c3ccccc3)=O,0.0
57608,CO-ADD:0305648,-0.03,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(OCCCC)c3)C2c4ccccc4,0.0
57609,CO-ADD:0306327,-0.03,n(c(c(cc1)ccc1C(N)=O)c2c(c3Sc(cc4C(C)(C)C)cc(c4O)C(C)(C)C)cccc2)n3,0.0
57610,CO-ADD:0306286,-0.03,c1(ccnn1C)C(NCCN)=O.Cl,0.0
57611,CO-ADD:0306142,-0.03,N1(CCCCC1)c(cc2)ccc2C(c3ccccc3)=O,0.0
57612,CO-ADD:0312069,-0.03,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc(c3n1)cccc3,0.0
57613,CO-ADD:0307618,-0.03,C(=O)(c1ccc(c(F)c1)F)N(CC2)CCN2c3ccc(cc3F)C(CCC)=O,0.0
57614,CO-ADD:0311953,-0.03,n1(c2ccccc2)c(S)nnc1CC(C)O,0.0
57615,CO-ADD:0320961,-0.03,c1(N(CC2)CCN2C34CC(CC5C3)CC(C5)C4)nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1,0.0
57616,CO-ADD:0228573,-0.03,N1(C)C(=O)CC(N(CC2)CCN2c3ccc(cc3)F)C1=O,0.0
57617,CO-ADD:0323804,-0.03,N(C)(C(=O)\C(=C/Nc(cc1)ccc1C(OCCN(CC)CC)=O)\C(N2C)=O)C2=O,0.0
57618,CO-ADD:0323852,-0.03,S(=O)(=O)(c1ccc(cc1)OCC)N(CC2)CCN2C34CC(CC5C3)CC(C5)C4,0.0
57619,CO-ADD:0320739,-0.03,N1(c2ccc(c(C)c2)C)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccccc4C,0.0
57620,CO-ADD:0228559,-0.03,C1(C(OCC)=O)=C(C)NC(=C2C1c3sc(cc3Cl)Cl)CC(CC2=O)(C)C,0.0
57621,CO-ADD:0223545,-0.03,n(\N=C\c(cc1OC)cc(c1OC)OC)(c2)cnn2,0.0
57622,CO-ADD:0228610,-0.03,N1(c2cccc(OC)c2)C(=O)CC(N(CC3)CCO3)C1=O,0.0
57623,CO-ADD:0230283,-0.03,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1Br)C)=O)Nc2cccc(cccc3)c23,0.0
57624,CO-ADD:0223812,-0.03,n1c(C)onc1c(cccc2[N+](=O)[O-])c2,0.0
57625,CO-ADD:0321550,-0.03,c1(C(O)=O)cc2c(ccc(CSC)c2)o1,0.0
57626,CO-ADD:0319239,-0.03,N(CN(CC1)CCC12OCCO2)(N=C(N3C)c4ccccc4)C3=S,0.0
57627,CO-ADD:0223807,-0.03,[N+](=O)([O-])c1ccccc1\C=C\C(=O)Nc2ccccc2C,0.0
57628,CO-ADD:0321336,-0.03,N1(N=C(S2)CCCCCCC)C2=NC(=O)\C(=C/c(ccc(c3OCC)O)c3)\C1=N,0.0
57629,CO-ADD:0230538,-0.04,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1C)C(=O)Nc(cc2)ccc2CC,0.0
57630,CO-ADD:0307100,-0.04,c1(N2CCCCC2)nc(Nc(cc3)ccc3OC(F)(F)F)nc(Nc(cc4)cc(c45)ccc(C)n5)n1,0.0
57631,CO-ADD:0306930,-0.04,n1(c2c(C)cc(cc2C)C)nnnc1SCC(NCCc3ccccc3)=O,0.0
57632,CO-ADD:0311577,-0.04,C1(C(F)(F)F)(C(F)(F)F)N=C(c(cccn2)c2)N(C3=N1)C=CC=C3C,0.0
57633,CO-ADD:0306834,-0.04,C1(C(=O)OCC2CCCO2)=C(C)NC(=C3C1c4cc(OC)c(cc4OC)OC)CCCC3=O,0.0
57634,CO-ADD:0306339,-0.04,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(ccc3[N+](=O)[O-])o3)\C1=O)=O,0.0
57635,CO-ADD:0305598,-0.04,c1(C(N)=O)c(C)c(Cl)c(nc1Cl)Cl,0.0
57636,CO-ADD:0307151,-0.04,n1(c(cc2)ccc2C(=O)NC3(CCCCC3)C(=O)Nc4ccccc4)cnnn1,0.0
57637,CO-ADD:0302611,-0.04,N1(c2ccccc2OC)C(\C=C\c(cc3)ccc3Br)=Nc(c4C1=O)cccc4,0.0
57638,CO-ADD:0303764,-0.04,C1(C(=O)CSc2nc(N)c(c(CC(C)C)c2C#N)C#N)=Cc3c(OC1=O)ccc(Br)c3,0.0
57639,CO-ADD:0302450,-0.04,C(=O)(NCc(cc1)ccc1OC)C(=O)NCC(C)O,0.0
57640,CO-ADD:0303615,-0.04,C1(=O)c2c(cccc2)NC3(CCCCC3)N1,0.0
57641,CO-ADD:0301763,-0.04,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4)ccc4C(C)C)cccc3,0.0
57642,CO-ADD:0301304,-0.04,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3OCC)C2c4ccco4,0.0
57643,CO-ADD:0302155,-0.04,[N+](=O)([O-])c1cccc(c1C)NC(=O)c2ccc(cc2)OC(C)=O,0.0
57644,CO-ADD:0301346,-0.04,n1(c2ccc(c(Cl)c2)C)nnnc1SCC(=O)Nc3sccn3,0.0
57645,CO-ADD:0301400,-0.04,C1(CCCCC1)(C(=O)OC(C2(C)C)c3ccc(cc3)F)C2=O,0.0
57646,CO-ADD:0303110,-0.04,C1(=S)SC(=NN1c2ccccc2)SCC(=O)NC(C)c3ccccc3,0.0
57647,CO-ADD:0301835,-0.04,c12c(cccc1N)cc(O)cc2,0.0
57648,CO-ADD:0303885,-0.04,N1(CC(C)OC(c2ccccc2)O1)C(=O)c(ccc(c34)OCO3)c4,0.0
57649,CO-ADD:0303226,-0.04,c1(NC(=O)c2ccc(cc2)OC)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
57650,CO-ADD:0301813,-0.04,c1(NC(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
57651,CO-ADD:0303903,-0.04,C(C(OCC)=O)(C1c2cccs2)=C(C)N(C(C)=C1C(OCC)=O)C,0.0
57652,CO-ADD:0303872,-0.04,N1C(c2ccc(cc2)OCC)SCC1C(O)=O,0.0
57653,CO-ADD:0310744,-0.04,C(C(OC)=O)(=CN(Cc(ccc(c12)OCO1)c2)C=C3C(OC)=O)C3c4cccc(OC)c4OC,0.0
57654,CO-ADD:0311560,-0.04,c1(n2)c(C(N(C)C(=O)N1C)=O)n(c23)CC(=NN3Cc4ccccc4)c5ccc(cc5)Br,0.0
57655,CO-ADD:0311078,-0.04,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc3ccc(cc3C4CCCCC4)Cl)n2)Cc5cccc(Cl)c5,0.0
57656,CO-ADD:0307428,-0.04,c1(C(=O)Nc2cc(Br)cc(cccn3)c23)sc4c(c(COC)cc(C)n4)c1N,0.0
57657,CO-ADD:0311031,-0.04,C1(NC(CCC1[N+](=O)[O-])=O)c2ccc(cc2Cl)Cl,0.0
57658,CO-ADD:0311148,-0.04,c1(C(=O)Nc(cc2)ccc2OC)c(CC3)c(sc1NC(=O)c4ccc(cc4)Cl)CN3C(OCC)=O,0.0
57659,CO-ADD:0305973,-0.04,c1(C#N)c(SCC(=O)Nc(c2)cc(cc2C(F)(F)F)C(F)(F)F)nc(cc1C(F)(F)F)c3cccs3,0.0
57660,CO-ADD:0311777,-0.04,N(c1ccc(cc1C)Br)(C(c2ccccc2)=O)NC(=O)C(O)(c3ccc(cc3)Cl)c4ccc(cc4)Cl,0.0
57661,CO-ADD:0307295,-0.04,C1(OC(C)CC(N(C)C)C1O)OC(C(C)COCCC(=O)C(C)C(C(C)C(C)OC(=O)C(C)C2OC3CC(OC)C(C(C)O3)O)O)C2C,0.0
57662,CO-ADD:0307287,-0.04,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(=O)c3cccs3)F,0.0
57663,CO-ADD:0311587,-0.04,n(CC(NCCOC)=O)(c1c(c2C#N)cccc1)c2,0.0
57664,CO-ADD:0306890,-0.04,C(=O)(N(CCCCC)CCCCC)c1ccccc1C(=O)Nc2ccc(cc2Cl)Cl,0.0
57665,CO-ADD:0311635,-0.04,c12c(n(cn1)CCC\N=C(/CCCCC3)\N3C)C(N(C)C(=O)N2C)=O.Cl,0.0
57666,CO-ADD:0312177,-0.04,S(=O)(=O)(c1ccc(cc1)Br)N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])C(F)(F)F,0.0
57667,CO-ADD:0321284,-0.04,C(O)(C(F)(F)F)(c1c(N2c3c(S4)cccc3)c4ccc1)C2=O,0.0
57668,CO-ADD:0228522,-0.04,C1(C#N)(C#N)[C@@H](c2ccc(cc2)Br)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(C)=O,0.0
57669,CO-ADD:0228843,-0.04,[N+](=O)([O-])c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc(cc3)ccc3C(=O)c(ccc(c4C(O)=O)C(O)=O)c4,0.0
57670,CO-ADD:0321228,-0.04,C(F)(F)(F)c(cc1)cc(c1N2CCC(CC2)C)N,0.0
57671,CO-ADD:0228580,-0.05,N1(c2cccc(OC)c2)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
57672,CO-ADD:0323290,-0.05,C1(C(=O)OC2CCCC2)=C(C)NC(NC1c3ccc(Br)s3)=O,0.0
57673,CO-ADD:0323498,-0.05,C(=O)(C(c1ccc(cc1)Cl)N(CCc(c2c([nH]3)cccc2)c3C)C(C)=O)Nc4c(C)cccc4C,0.0
57674,CO-ADD:0321054,-0.05,C(=C\c(ccc1c2CC(O1)C)c2)(/C(C)=NN3c(cc4)ccc4C(O)=O)\C3=O,0.0
57675,CO-ADD:0324738,-0.05,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(Cl)s5)cccc4,0.0
57676,CO-ADD:0223599,-0.05,C1(Nc(cc2)c(C)cc2[N+](=O)[O-])OC(C(O)C1O)CO,0.0
57677,CO-ADD:0223570,-0.05,c(c(Cl)c1Cl)c(OCC(OCc(ccc(c2Cl)Cl)c2)=O)c(c1)Cl,0.0
57678,CO-ADD:0319303,-0.05,n1(CNc2sccn2)c(C)cc(C)n1,0.0
57679,CO-ADD:0319319,-0.05,n1(c2ccccc2)c(COc(cc3)ccc3C4CCCCC4)nnc1SCc5ccccc5Cl,0.0
57680,CO-ADD:0321248,-0.05,n12c(ccc(cccc3)c13)nnc2c4ccc(cc4)OCc5ccccc5F,0.0
57681,CO-ADD:0321521,-0.05,N1(c2ccccc2Cl)C(=O)C(C3C1=O)C(C)(CC4=O)CC34C,0.0
57682,CO-ADD:0321265,-0.05,C1(c2ccccc2Cl)=N\C(\C(=O)O1)=C\c(c(C)cc(c3C(C)C)OC)c3,0.0
57683,CO-ADD:0321506,-0.05,N1(C(=O)c2cccc(Cl)c2)C(C)(C)C=C(c(cc(cc3)OC(c4ccccc4)=O)c13)C,0.0
57684,CO-ADD:0311334,-0.05,n1(c2c(nn1)cccc2)S(=O)(=O)c3c(OC)cc(c(C)c3)C,0.0
57685,CO-ADD:0311992,-0.05,C(C(c1ccccc1)N(C2=O)c3ccccc3)(S(c4ccccc4)(=O)=O)=C2OC(c5ccccc5)c6ccccc6,0.0
57686,CO-ADD:0307539,-0.05,C1(C(OCCSCC)=O)=C(C)NC(=C2C1c3ccc(C)o3)CCCC2=O,0.0
57687,CO-ADD:0306055,-0.05,S(=O)(Cc1ccccc1)c2cc(OC)ccc2C#N,0.0
57688,CO-ADD:0312525,-0.05,c1(ccc(F)cc1)S(N2C[C@](O[C@H]3C4)(C=C3)[C@@H]4C2)(=O)=O,0.0
57689,CO-ADD:0312503,-0.05,C(C1[C@@H]([C@@H]2C(=O)O)C(=O)N(C(C)C)C1)c(c23)occ3,0.0
57690,CO-ADD:0303545,-0.05,C(c1ccc(cc1)OC)(C(C(C)=O)C(OCC)=O)C(C(C)=O)C(OCC)=O,0.0
57691,CO-ADD:0303823,-0.05,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2C)N(CC3)CCN3,0.0
57692,CO-ADD:0301976,-0.05,c1(CN(c2ccccc2)C(=O)CN(CC3)CCN3C)n(C)c4c(cccc4)c1C#N,0.0
57693,CO-ADD:0304820,-0.05,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccco1)Nc2sc(c(CC)c2C(OC)=O)C,0.0
57694,CO-ADD:0305215,-0.05,N1(c2ccc(cc2)F)C(=O)CSC13CCC(CC3)C(C)(C)CC,0.0
57695,CO-ADD:0301290,-0.05,C(CCC(N1)=O)(CCC(=O)NCc2ccccc2)(C1)C(O)=O,0.0
57696,CO-ADD:0301258,-0.05,C(=N\c(cc1)ccc1Cl)(/SC(C(=O)Nc(cc2)ccc2OC)CC3=O)\N3CC=C,0.0
57697,CO-ADD:0302626,-0.05,n1c(ccc(cccc2)c12)\C=C\c(cc3)ccc3N(C)C,0.0
57698,CO-ADD:0303879,-0.05,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)C)c5ccc(cc5)Br,0.0
57699,CO-ADD:0303996,-0.05,N1(c2ccc(cc2)OCCC)CC(CC1=O)C(O)=O,0.0
57700,CO-ADD:0302162,-0.06,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cccc(Br)c5)cccc4,0.0
57701,CO-ADD:0301532,-0.06,c12c(CC(NC1c3ccccc3)(C)C)cc(OC)c(OC)c2.Cl,0.0
57702,CO-ADD:0301377,-0.06,C1(C2CC(C=C2)N1C(=O)c3ccc(cc3)Cl)(C(F)(F)F)C(F)(F)F,0.0
57703,CO-ADD:0302935,-0.06,N1(c(cc2)ccc2N(CC)CC)C(c3ccccc3OCc4c(cccc4Cl)Cl)N(N=C1C(C)=O)c5ccccc5,0.0
57704,CO-ADD:0303107,-0.06,c1(CC(O)C(Cl)(Cl)Cl)n(C)c2c(cccc2)n1,0.0
57705,CO-ADD:0305851,-0.06,c1(NC(COc(cccc2C(F)(F)F)c2)=O)sc(c3c1C(OC)=O)CCCC3,0.0
57706,CO-ADD:0307584,-0.06,C(/C#N)(=C/c1ccc(C)o1)\C(=O)Nc(cc2)ccc2Cl,0.0
57707,CO-ADD:0305713,-0.06,N1(c2c(OC1=O)cccc2)C(=O)CCN3c(ccc(c4)Cl)c4OC3=O,0.0
57708,CO-ADD:0305671,-0.06,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(Cl)c3C)C2c4ccccc4,0.0
57709,CO-ADD:0311990,-0.06,C(=O)(C(O)(c1cccc(C)c1)c2cccc(C)c2)NN(c3ccccc3)C(=O)c4ccc(Br)o4,0.0
57710,CO-ADD:0306309,-0.06,c12c([nH]nc1c3ccc(cc3)Cl)OC(N)=C(C#N)C2c4c[nH]nc4c5ccc(cc5)F,0.0
57711,CO-ADD:0311719,-0.06,C1(NC(C)=O)=C(N)C(c(cccc2)c2C1=O)=O,0.0
57712,CO-ADD:0306008,-0.06,c1(c(O)ccc(cccc2)c12)C(N(CC3)CCO3)c4ccc(cc4OC)OC,0.0
57713,CO-ADD:0307008,-0.06,n1c(N)n[nH]c1CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc4c(C)cccc4C,0.0
57714,CO-ADD:0307006,-0.06,N1(C(CNCc(cccn2)c2)=O)c3c(cccc3)Sc(ccc(Cl)c4)c14.Cl,0.0
57715,CO-ADD:0312286,-0.06,n1(c2ccccc2)c(SCC(=O)c(ccc3c4Cc(c35)cccc5)c4)nnc1c6ccco6,0.0
57716,CO-ADD:0307475,-0.06,C(C(OCCOCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccs3,0.0
57717,CO-ADD:0228553,-0.06,c1(C(F)(F)F)nnc(NC(=O)c2ccc(cc2)OC)s1,0.0
57718,CO-ADD:0223216,-0.06,c1(ccc(C(=O)Oc(cc2)ccc2\C=N\NC(COc3ccccc3C#N)=O)o1)[N+](=O)[O-],0.0
57719,CO-ADD:0321309,-0.06,N1(N=C(S2)CCCCCCC)C2=NC(=O)\C(=C/c(ccc(c34)OCO3)c4)\C1=N,0.0
57720,CO-ADD:0228849,-0.06,C(F)(F)(C(F)(F)C(F)(F)C(=O)Nc1sccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl,0.0
57721,CO-ADD:0321493,-0.06,C(C(N)c1ccc(cc1)SC)C(O)=O,0.0
57722,CO-ADD:0230706,-0.06,c1(ccccc1Br)C(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccc(cc3)Br,0.0
57723,CO-ADD:0228238,-0.06,N1(c2ccccc2)NC(\C(=C/C=C/c3ccccc3Cl)\C1=O)=O,0.0
57724,CO-ADD:0324707,-0.06,c(c(ccc1)c(c1N2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)c5S2(=O)=O)cc5,0.0
57725,CO-ADD:0323099,-0.07,C(C#N)(C1c2ccco2)=C(SCC(=O)Nc(c(Br)c3)c(Br)cc3[N+](=O)[O-])NC(C)=C1C(C)=O,0.0
57726,CO-ADD:0323147,-0.07,C(Cc(cc1)ccc1[N+](=O)[O-])(Cc(cc2)ccc2[N+](=O)[O-])(C(OCC)=O)C(N)=O,0.0
57727,CO-ADD:0228785,-0.07,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(COc2ccccc2C)=O,0.0
57728,CO-ADD:0228420,-0.07,N1(CNc2ccccc2C)c3c(OC1=S)ccc(Cl)c3,0.0
57729,CO-ADD:0228358,-0.07,n1(CCS2)c2nc(c3ccc(cc3)OC)c1\N=C\c(cc4)ccc4OC,0.0
57730,CO-ADD:0228350,-0.07,C1=C(NCc2ccccc2)C3(OC1=O)CCCCC3,0.0
57731,CO-ADD:0311942,-0.07,c12c(CCNC1Cc(ccc(c3OC)OC)c3)cc(c(OC)c2)OC.Br,0.0
57732,CO-ADD:0306104,-0.07,C(=O)(c1cccc(F)c1)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
57733,CO-ADD:0312511,-0.07,[C@H]1(O[C@@](CN(C2)S(=O)(=O)c3ccccc3)(C=C1)[C@H]24)C4,0.0
57734,CO-ADD:0312640,-0.07,[C@@H]1([C@H](c(c2)occ2)N(C(C(F)(F)F)=O)[C@H](c3ccco3)[C@@H](c4ccccc4)C1=O)c5ccccc5,0.0
57735,CO-ADD:0304860,-0.07,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCN(CC4)CCO4)c5ccccc5,0.0
57736,CO-ADD:0303593,-0.07,S(=O)(=O)(c(cccc1C(=O)N(C)c2ccccc2C(O)=O)c1)N3CCCCC3,0.0
57737,CO-ADD:0303562,-0.07,C(C#N)(C(CC(N1)=O)c(ccs2)c2)=C1SCC(=O)Nc3ccccc3C,0.0
57738,CO-ADD:0301765,-0.07,N1(Nc2ccccc2)C(=O)CSC1=S,0.0
57739,CO-ADD:0304155,-0.07,C(C(OC)=O)(=CN(Cc(cc1)ccc1C)C=C2C(OC)=O)C2c3ccc(cc3)SC,0.0
57740,CO-ADD:0303587,-0.07,n1c(N2CC(C)CC(C)C2)c(Nc3ccccc3OC)nc(non4)c14,0.0
57741,CO-ADD:0302103,-0.07,C(=O)(Nc(cc1)ccc1C(O)=O)c2ccccc2NC(=O)\C=C\c3ccccc3,0.0
57742,CO-ADD:0301349,-0.07,c1(N(CC2)CCO2)nc(Nc(cc3)ccc3F)nc(Nc4ccc(cc4F)F)n1,0.0
57743,CO-ADD:0302004,-0.07,S(c1ccccc1)(=O)(=O)N2CCCC2C(NCCNc(cc3)c(Cl)cc3[N+](=O)[O-])=O,0.0
57744,CO-ADD:0303253,-0.07,c1(c2c(sc1NC(Cc(cc3)ccc3OC)=O)CCCC2)C(=O)Nc4ccccc4OCC,0.0
57745,CO-ADD:0302066,-0.07,c1(cc(O)ccc1NC(CSCc2ccc(cc2Cl)Cl)=O)C(O)=O.Cl,0.0
57746,CO-ADD:0301854,-0.07,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(c(F)c4)F)cccc3,0.0
57747,CO-ADD:0311785,-0.07,c1(cc(OC)c(cc1Br)OC)C2NCCc(cc(c(OCC)c3)OCC)c23,0.0
57748,CO-ADD:0305948,-0.07,c1(c2c(sc1NC(=O)c3ccc(cc3Cl)[N+](=O)[O-])CCCC2)C(=O)OC(C)C,0.0
57749,CO-ADD:0310777,-0.07,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c(cccc3[N+](=O)[O-])c3,0.0
57750,CO-ADD:0307299,-0.07,c1(NC(=S)NC(=O)c2ccccc2Cl)sc(c3c1C(N)=O)CCCCCC3,0.0
57751,CO-ADD:0307423,-0.07,c12c(CCNC1c(cc3)ccc3C(O)=O)cc(c(OC)c2)OC.Cl,0.0
57752,CO-ADD:0306320,-0.07,c12c(ccc(CNC(COc3ccccc3C)=O)c1)OCO2,0.0
57753,CO-ADD:0320303,-0.07,S(C)(NCCc1scc(c2ccccc2)n1)(=O)=O,0.0
57754,CO-ADD:0320240,-0.07,c1(c(Cl)c(Cl)c(nc1Cl)Cl)C(=O)Nc2ccccc2C,0.0
57755,CO-ADD:0223079,-0.07,N1(c2ccc(cc2)Br)C(=O)C(C(C1=O)C34\C=N\CCO)C(c(c35)cccc5)c(c46)cccc6,0.0
57756,CO-ADD:0232003,-0.07,c(\C=N\c1c(Cl)ccc(Cl)c1)(c(C)c2Cl)c(O)c(c2C)Br,0.0
57757,CO-ADD:0223209,-0.07,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(CNc(cc2)ccc2C)=O,0.0
57758,CO-ADD:0228547,-0.07,N1(c2ccccc2)C(=O)CC(N(C)Cc3ccccc3)C1=O,0.0
57759,CO-ADD:0230206,-0.07,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)N\N=C\c2cccc(OC)c2OCc3ccccc3)c1,0.0
57760,CO-ADD:0230491,-0.07,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)N\N=C\c3ccccc3OCCCCCCC,0.0
57761,CO-ADD:0228676,-0.07,N1(c2ccccc2OCC)C(=O)C(C3C1=O)C(C=C4)C5(C34)CC5,0.0
57763,CO-ADD:0324731,-0.07,C(C(OC)=O)(=CN(CCN(C=C1C(OC)=O)C=C(C1c2cccs2)C(OC)=O)C=C3C(OC)=O)C3c4cccs4,0.0
57764,CO-ADD:0323572,-0.07,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C(=O)c4ccco4,0.0
57765,CO-ADD:0230336,-0.08,c(\C=N\NC(COc(c1)cc(cc1C)C)=O)(cc(C)cc2\C=N\NC(COc(cc(C)cc3C)c3)=O)c2OC,0.0
57766,CO-ADD:0228337,-0.08,c1(ccc(c2c1OC)cccc2)C(=O)Nc(ccc(c3Br)C)c3,0.0
57767,CO-ADD:0324582,-0.08,[nH]1c2c(c(CCN)c1C)cccc2C.Cl,0.0
57768,CO-ADD:0230202,-0.08,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)c2ccc(cc2)OCCCCCCCCCC,0.0
57769,CO-ADD:0223577,-0.08,c1(SCC(=O)N\N=C\c2cccc(F)c2)[nH]c(c3n1)cccc3,0.0
57770,CO-ADD:0323877,-0.08,c12c(CCNC1c3ccc(cc3F)OC)cc(c(OCC)c2)OCC.Cl,0.0
57771,CO-ADD:0228889,-0.08,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
57772,CO-ADD:0321570,-0.08,c(c1c(cc2)ccn2)(C3c4cccc(OC)c4OCC)c([nH]n1)OC(N)=C3C#N,0.0
57773,CO-ADD:0310857,-0.08,c1(c(NN)ccc(c1)C(=O)Nc2ccccc2)[N+](=O)[O-],0.0
57774,CO-ADD:0310979,-0.08,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccccc1Cl)Nc2sc3c(CCC(C(C)(C)C)C3)c2C#N,0.0
57775,CO-ADD:0307281,-0.08,N1(CCOc2ccccc2P(c3ccccc3)(c4ccccc4)=O)C(=O)c(c5C1=O)cccc5,0.0
57776,CO-ADD:0306820,-0.08,C(C(=O)OCC(C)C)(C1c(cc2)ccc2c3ccccc3)=C(C)NC(CCCC4=O)=C14,0.0
57778,CO-ADD:0305572,-0.08,n1c(cc2)c(oc1c3ccc(cc3)C)cc2N(Cc(ccc(c45)OCO4)c5)C(C)=O,0.0
57779,CO-ADD:0307317,-0.08,C1(C2c(cc3)ccc3N(CC)CC)=C(CC(c4ccc(cc4)F)CC1=O)Nc(c5N2C(CCC(O)=O)=O)cccc5,0.0
57780,CO-ADD:0306198,-0.08,c1(C(N)=O)nnn(Cc2ccccc2)c1N,0.0
57781,CO-ADD:0312599,-0.08,C1=C[C@]2(O[C@H]13)[C@]([C@]4(CN(C2)C(=O)c5ccccc5)O[C@H]6C=C4)([C@@]36C(F)(F)F)C(F)(F)F,0.0
57782,CO-ADD:0303144,-0.08,S(=O)(=O)(N(CC1)CCO1)c2cc(ccc2N(CC3)CCN3Cc4ccccc4)[N+](=O)[O-],0.0
57783,CO-ADD:0301509,-0.08,c1(N)c(cccc1N)N.Cl.Cl,0.0
57784,CO-ADD:0304861,-0.08,c12c(n(c(N\N=C\c(cccc3[N+](=O)[O-])c3)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
57785,CO-ADD:0304648,-0.08,n(c(N)cc(n1)O)c1SCC(N)=O,0.0
57786,CO-ADD:0304847,-0.08,N1(c2ccc(cc2)F)C(=O)C(N(CCc(cc3)ccc3OC)C1=S)CC(=O)Nc4ccccc4,0.0
57787,CO-ADD:0303581,-0.08,S(=O)(=O)(c1ccc(cc1)\C=C\c2ccccc2)N3CCCC3,0.0
57788,CO-ADD:0301314,-0.08,C1(SCC(=O)N1c2ccc(c(Br)c2)C)(c3c(N4CN(CC5)CCO5)cccc3)C4=O,0.0
57789,CO-ADD:0303506,-0.08,n1(C(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)c(C)c(c(C)n1)Br,0.0
57790,CO-ADD:0303514,-0.08,C1(c2cc(C)ccc2C)C(=CNC=C1C(OC)=O)C(OC)=O,0.0
57791,CO-ADD:0301874,-0.08,C1(=COc(c2C1=O)ccc(Cl)c2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(OCCc5ccccc5)=O,0.0
57792,CO-ADD:0304407,-0.08,C(=C\NC(C)CC)(/C1=O)\C(=O)NC(=O)N1,0.0
57793,CO-ADD:0303857,-0.08,C1(N(CC2C)CC(O2)C)=NC(\C(=C/c3cccc(OC)c3OC)\S1)=O,0.0
57794,CO-ADD:0302116,-0.08,c1(cc(ccc1NC(Cc(cc2)ccc2OC)=O)Cc(ccc(c3C(O)=O)NC(Cc(cc4)ccc4OC)=O)c3)C(O)=O,0.0
57795,CO-ADD:0303858,-0.08,N1(CN(CC2C)CC(O2)C)C(=O)\C(\SC1=O)=C/c3ccccc3OC,0.0
57796,CO-ADD:0304015,-0.08,C1(C(=O)OCC2CCCO2)=C(C)NC(NC1c(ccc(c3OCc4ccccc4)OC)c3)=O,0.0
57797,CO-ADD:0307275,-0.08,n1(C)cnnc1SCC(=O)Nc(cc2)ccc2F,0.0
57798,CO-ADD:0307451,-0.08,c1(nc(C)cc(C)n1)N\C(\N)=N/OC,0.0
57799,CO-ADD:0311609,-0.08,C(=N/c(ccc(c1C(F)(F)F)Cl)c1)(/SC(C(=O)Nc2ccccc2)CC3=O)\N3C,0.0
57800,CO-ADD:0311630,-0.08,N1(c2ccc(cc2)F)C(=O)C(N(CCc(cc3)ccc3OC)C1=S)CC(=O)Nc(cc4)ccc4F,0.0
57801,CO-ADD:0306147,-0.08,C1(C)(C(C)(C)OC2=O)N2CCc(c([nH]3)C)c(c3ccc4Cl)c14,0.0
57802,CO-ADD:0306054,-0.08,N(CC(OC)=O)(Sc(c12)cc(cc1[N+](=O)[O-])[N+](=O)[O-])C2=O,0.0
57803,CO-ADD:0305630,-0.08,C(C#N)(C(c1ccc(cc1)Cl)C2C(OC)=O)=C(SCC(=O)Nc3sccn3)NC2=O,0.0
57804,CO-ADD:0305589,-0.08,c1(C(=O)Nc2ccccc2OC)c(C)c(sc1NCc3ccc(cc3Cl)Cl)c4ccccc4,0.0
57805,CO-ADD:0312414,-0.09,C(=N\c(ccc(c12)OCO1)c2)(/SC(C(=O)Nc3ccccc3F)CC4=O)\N4C,0.0
57806,CO-ADD:0312447,-0.09,c1(ccc(C)o1)C(=O)Nc(cc2)ccc2C(O)=O,0.0
57807,CO-ADD:0305879,-0.09,c1(NC(=O)c2ccc(Br)o2)sc(c3c1C(OC)=O)CCCC3,0.0
57808,CO-ADD:0312365,-0.09,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(c(OC)c5)OCC)c24,0.0
57809,CO-ADD:0307102,-0.09,c1(noc(COc(cc2)ccc2[N+](=O)[O-])n1)c3nonc3N,0.0
57810,CO-ADD:0311955,-0.09,C(=O)(Nc(cc1)ccc1C(=O)NC2CCCCC2)c(c3)cc(cn3)Br,0.0
57811,CO-ADD:0223144,-0.09,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cccc2OC(=O)c3ccco3)c2,0.0
57812,CO-ADD:0320241,-0.09,c1(c(Cl)c(Cl)c(nc1Cl)Cl)C(=O)Nc2ccccc2OC,0.0
57813,CO-ADD:0223496,-0.09,C(=C\c1ccc(cc1Cl)Cl)(/C(C)=NN2c3ccc(cc3)C)\C2=O,0.0
57814,CO-ADD:0231982,-0.09,c(\C=N\c1ccc(cc1Cl)Cl)(c(C)c2Cl)c(O)c(c2C)Br,0.0
57815,CO-ADD:0323632,-0.09,C(C)(C)(C(=O)O1)C(=O)C(C1c2cc(Br)ccc2O)(C)C,0.0
57816,CO-ADD:0324476,-0.09,c1(c2c(cs1)CCCC2)C(=O)Nc(cccc3[N+](=O)[O-])c3,0.0
57817,CO-ADD:0228913,-0.09,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\NC(=O)C(O)(c3ccccc3)c4ccccc4,0.0
57818,CO-ADD:0228886,-0.09,c1(C(=O)N\N=C\c2c3c(cccc3)cc(cccc4)c24)nn(c(c5ccccc5)n1)c6ccccc6,0.0
57819,CO-ADD:0228034,-0.09,c1(sc(c2n1)cccc2)c3ccc(cc3O)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
57820,CO-ADD:0235905,-0.09,[N+](=O)([O-])c1ccc(cc1)Oc(cc2)ccc2C(=O)Oc(cc3)ccc3c4cnc(c5n4)cccc5,0.0
57821,CO-ADD:0228474,-0.09,N1(CC(O)=O)C(=O)\C(\SC1=S)=C\c(ccc2c3cccc(Cl)c3Cl)o2,0.0
57822,CO-ADD:0321090,-0.09,C(F)(F)(F)c(cc1)ccc1C(=O)Nc(cc2)ccc2C(OC)=O,0.0
57823,CO-ADD:0323901,-0.09,c1(C2OCCO2)c3c(n(c4ccccc4)n1)cc(cc3SCC(C)C)[N+](=O)[O-],0.0
57824,CO-ADD:0323742,-0.09,c1(Nc(cc2)ccc2Oc3ccccc3)nc(C)cc(C)c1C#N,0.0
57825,CO-ADD:0323758,-0.09,S(=O)(=O)(N1CCCCC1CC)C2=C(C)NC(NC2=O)=O,0.0
57826,CO-ADD:0324015,-0.09,C1(C(=O)NC(CC2(C)C)CC(N2)(C)C)=Cc(cccc3CC=C)c3OC1=O,0.0
57827,CO-ADD:0311694,-0.09,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(ccc(c4OC)OCc(cc5)ccc5F)c4)\C1=O,0.0
57828,CO-ADD:0306086,-0.09,N1(c(ccc(c2s3)nc3SCC(NCCOc(cc4)ccc4Cl)=O)c2)C(=O)C5C(C6CC5C=C6)C1=O,0.0
57829,CO-ADD:0307153,-0.09,n1(c(cc2)ccc2C(=O)NC3(CCCCC3)C(=O)Nc(cc4)ccc4OC)cnnn1,0.0
57830,CO-ADD:0306189,-0.09,c(con1)(c(c2ccccc2)n3)c1c(n3)c4ccccc4,0.0
57831,CO-ADD:0320184,-0.09,C(C)(c1ccc(cc1)OCCC)(CC(O)=O)C(O)=O,0.0
57832,CO-ADD:0320384,-0.09,N1(c2ccccc2)C(=O)C(CC1=O)Sc3ccccn3,0.0
57833,CO-ADD:0320530,-0.09,N1(CCc(c2c([nH]3)cccc2)c3C)C(C)(O)C4(OC1=O)CCCCC4,0.0
57834,CO-ADD:0303239,-0.09,c1(ccc(c2)Cl)c2nccc1Nc(cc3)ccc3N(CC4)CCN4C,0.0
57835,CO-ADD:0303218,-0.09,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)CC1c3ccccc3F,0.0
57836,CO-ADD:0305297,-0.09,C(O)(c1cccc(C)c1)(c2cccc(C)c2)C(=O)N\N=C\c(cc3OC)cc(c3OC)OC,0.0
57837,CO-ADD:0300585,-0.1,c1(NC(CCCOc2ccc(cc2Cl)Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
57838,CO-ADD:0302129,-0.1,c12c(ccc(C)c1)N=C(OC2=O)CSCc3ccc(cc3Cl)Cl,0.0
57839,CO-ADD:0302107,-0.1,C(=O)(Nc(cc1)ccc1C(O)=O)c2ccccc2NC(COc3ccccc3)=O,0.0
57840,CO-ADD:0302114,-0.1,C1(=O)OC(CCCCCCCCCCC)=Nc2c1ccc(c2)Cl,0.0
57841,CO-ADD:0303106,-0.1,n1(C)c(SCc(ccc(c2OC)OC)c2)nnc1c(cc3)ccc3[N+](=O)[O-],0.0
57842,CO-ADD:0304404,-0.1,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCOc3ccccc3Cl)c1C,0.0
57843,CO-ADD:0301454,-0.1,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c(ccc(c34)OCO3)c4,0.0
57844,CO-ADD:0304396,-0.1,c(c1c2ccccc2)(C3c4ccc(cc4CSc5ccccn5)OC)c([nH]n1)OC(N)=C3C#N,0.0
57845,CO-ADD:0307547,-0.1,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccc(Br)c3,0.0
57846,CO-ADD:0311608,-0.1,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)\C(\C(C)=N1)=C\NCCN(CC3)CCN3C(c4ccccc4)=O,0.0
57847,CO-ADD:0311470,-0.1,c1(N(CC2)CCO2)nc(CSc(oc(c3c4ccccc4)c5ccccc5)n3)nc(N)n1,0.0
57848,CO-ADD:0312182,-0.1,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c3ccccc3[N+](=O)[O-],0.0
57849,CO-ADD:0311242,-0.1,N1(CCc(cccc2)c12)C(=O)COc3cccc(C)c3C,0.0
57850,CO-ADD:0311222,-0.1,S(=O)(=O)(c1ccc(cc1)C)N(CC(O)CN(CC(C)C)CC(C)C)c2cccc(C)c2,0.0
57851,CO-ADD:0307363,-0.1,c1(C(O)=O)cc(c2cccc(Br)c2)nc(ccc(cccc3)c34)c14,0.0
57852,CO-ADD:0307349,-0.1,C(=S)(N(CC1)CCN1c(cccc2C(F)(F)F)c2)NC(c3ccccc3)=O,0.0
57853,CO-ADD:0311988,-0.1,C(=O)(C(O)(c1ccc(cc1)Cl)c2ccc(cc2)Cl)N(c3ccccc3)\N=C\c4ccccc4,0.0
57854,CO-ADD:0311910,-0.1,C(=O)(NCC(c1ccccc1)c2ccccc2)C(NCCCN(CC3)CCO3)=O,0.0
57855,CO-ADD:0312003,-0.1,c1(c(c2ccc(cc2)Cl)nn3c4ccccc4)c3nc(C)cc1C(F)(F)F,0.0
57856,CO-ADD:0306297,-0.1,N1(CCN2C(C)(O)C(OC2=O)(CC3(C)C)CC(N3)(C)C)C(C)(O)C(OC1=O)(CC4(C)C)CC(N4)(C)C,0.0
57857,CO-ADD:0312569,-0.1,C([C@H]1O[C@@]23[C@]([H])([C@@]4(O[C@H]5C(C(=O)N6c7ccccc7)C4C6=O)CN(C(OC(C)(C)C)=O)C2)[C@@]15[H])=C3,0.0
57858,CO-ADD:0305869,-0.1,c1(NC(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)sc(c3c1C(OCC)=O)CCCCC3,0.0
57859,CO-ADD:0306226,-0.1,c1(c2ccccc2F)nnn(CC(=O)Nc3ccccc3F)n1,0.0
57860,CO-ADD:0305862,-0.1,c1(Cl)c(C)cc(cc1C)OCC(=O)NCc(ccc(c23)OCO2)c3,0.0
57861,CO-ADD:0312149,-0.1,c12c(nnc(SCC(=O)Nc(cc3)ccc3OC)n1)c4c(cccc4)n2C,0.0
57862,CO-ADD:0305625,-0.1,c1(c2N)c(NC(CC(C)(C)CC3=O)=C3C1c4ccc(C)o4)sc2C(=O)Nc5ccccc5C,0.0
57863,CO-ADD:0305616,-0.1,c1(C(OC)=O)cnn(cccn2)c12,0.0
57864,CO-ADD:0320281,-0.1,c1(C(OC)=O)sc(c2c1N)cc(cc2SCc(cc3)ccc3Cl)[N+](=O)[O-],0.0
57865,CO-ADD:0320512,-0.1,C(=N/c(cc1)ccc1C(OCC)=O)(/SC(C(=O)Nc(cc2)ccc2OC(F)(F)Cl)CC3=O)\N3C,0.0
57866,CO-ADD:0323360,-0.1,S(=O)(=O)(N(CC1)CCO1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(=O)Nc(c(C)cc(c5C(C)C)O)c5)=O)=N4)c2,0.0
57867,CO-ADD:0320725,-0.1,C(C(OC)=O)(NC(C)=O)(C(F)(F)F)Nc1c(Cl)cc(cn1)Cl,0.0
57868,CO-ADD:0319297,-0.1,S(NCCOc1ccccc1Cl)(=O)(=O)c2ccc(c3c2)cccc3,0.0
57869,CO-ADD:0319321,-0.1,n1(c2ccccc2)c(SCc(cc3)ccc3Br)nnc1c(cc4)ccc4C(C)(C)C,0.0
57870,CO-ADD:0321355,-0.1,c12c(ccc(OC)c1)nc(c(CCC)c2SCCC(O)=O)C,0.0
57871,CO-ADD:0231985,-0.1,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(I)cc4I)c4O)cccc2C,0.0
57872,CO-ADD:0321483,-0.1,c1(N2CCCCC2)nc(C)c(c(C)c1C#N)Cl,0.0
57873,CO-ADD:0320997,-0.1,N1C(=O)NC(C(I)=C1NCCO)=O,0.0
57874,CO-ADD:0324435,-0.1,c12c(nnc(SCc(cc3)ccc3C(OC)=O)n1)c4c(cccc4)n2C,0.0
57875,CO-ADD:0307546,-0.1,c12c(cc(C)c(C)c1)NC(CC2c3cc(F)ccc3F)=O,0.0
57876,CO-ADD:0324622,-0.1,C(C(C)=O)(C1c2ccc(cc2Cl)Cl)=C(O)C(N1c3ccc(cc3)OCC(O)=O)=O,0.0
57877,CO-ADD:0323463,-0.1,C12CN(Cc(cc(OCCO3)c3c4)c14)Cc(cc(OCCO5)c5c6)c26,0.0
57878,CO-ADD:0320172,-0.1,[nH](c(ccc(c1)OCc2ccccc2)c1c3CCNC(COc4ccc(cc4F)F)=O)c3C,0.0
57879,CO-ADD:0320372,-0.1,[nH]1c(cccc2)c2c(CCNC(COc3ccc(cc3F)F)=O)c1C,0.0
57880,CO-ADD:0320212,-0.1,c12c(CCNC1c3ccccc3C)cc(c(OCC)c2)OCC,0.0
57881,CO-ADD:0312543,-0.1,C1(C(=CC2[C@@H]3C(=O)N(c4cc(C)cc(C)c4)C2)SC=C1)[C@H]3C(O)=O,0.0
57882,CO-ADD:0311109,-0.1,N1(CC(CC1=O)C(O)=O)c2ccc(cc2C)Br,0.0
57883,CO-ADD:0305657,-0.1,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3OCC)C2c4ccccc4,0.0
57884,CO-ADD:0302370,-0.1,c1(CC(=O)Nc2ccccc2C(F)(F)F)c(Sc3ccccc3)c4c(cccc4)n1Cc5ccccc5,0.0
57885,CO-ADD:0303150,-0.1,c1(NC(=O)c(ccc(c2[N+](=O)[O-])C)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc(cc3)ccc3C(OCC)=O,0.0
57886,CO-ADD:0301487,-0.1,C(=N/N=C(\c1ccccc1)/C(c2ccccc2)=O)(/N3)\c4c(CC3(C)C)cc(OC)c(OC)c4,0.0
57887,CO-ADD:0305073,-0.11,c12c(c(c3s1)c(COC)cc(C)n3)nc(n(c4c(cccc4)n5)c25)CCl,0.0
57888,CO-ADD:0305281,-0.11,n1c(c2cccc(OC)c2)cn(cccc3N)c13.Br,0.0
57889,CO-ADD:0303999,-0.11,n(ccn1CC(=O)Nc(ccc(c2C)C)c2)c1,0.0
57890,CO-ADD:0301344,-0.11,n1(c2ccc(c(Cl)c2)F)nnnc1SCc(cc3)ccc3Cl,0.0
57891,CO-ADD:0301521,-0.11,c(n1)(c2)c(ccc2C(O)=O)ns1,0.0
57892,CO-ADD:0301589,-0.11,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc5)ccc5C(F)(F)F)cccc4,0.0
57893,CO-ADD:0312280,-0.11,n1(c2ccccc2)c(SCC(=O)Nc(cc3)ccc3OCCCC)nnc1c4cccc(F)c4,0.0
57894,CO-ADD:0311474,-0.11,c12c(CCNC1c3ccc(cc3O)OC)cc(c(OC)c2)OC,0.0
57895,CO-ADD:0307024,-0.11,N1(c2ccc(cc2)Cl)C(=O)C(C(C1=O)C34CO)C(c(c35)cccc5)c(c46)cccc6,0.0
57896,CO-ADD:0326201,-0.11,C1(C)(C(OCC)=O)C(Br)=C(C(=O)N1c2ccc(cc2)Cl)O,0.0
57897,CO-ADD:0327709,-0.11,C1(CCCCC1)(C(=O)O2)C(=O)C(C2c3ccccc3[N+](=O)[O-])(C)C,0.0
57898,CO-ADD:0328830,-0.11,C(=O)(c1ccc(cc1)C)Nc(cc2)ccc2CC#N,0.0
57899,CO-ADD:0329424,-0.11,C12(CC3CC(CC(C3)C1)C2)C(=O)N(CC4)CCN4c5ccccc5OCC,0.0
57900,CO-ADD:0287577,-0.11,c1(SCc(c(C)c2)cc(c2CSc3sc(c4n3)cccc4)C)sc(c5n1)cccc5,0.0
57901,CO-ADD:0290789,-0.11,C(C(OCC)=O)(C(F)(F)F)(Nc1sc(c2n1)cccc2)NC(=O)N(C)C,0.0
57902,CO-ADD:0290985,-0.11,c1(SCCC)n(CCO)c2c(cccc2)n1,0.0
57903,CO-ADD:0291155,-0.11,C12(c3c(NC1=O)ccc(c3)[N+](=O)[O-])C(C#N)=C(N)Oc4c2c(C)n[nH]4,0.0
57904,CO-ADD:0299495,-0.11,n1(c2ccccc2C)c(c3ccc(cc3)Cl)cc(c4ccc(cc4)Cl)n1,0.0
57905,CO-ADD:0290527,-0.11,n1(cnn2)c2C(C=C(C)N1CC(=O)N\N=C\c3ccccc3)=O,0.0
57906,CO-ADD:0329255,-0.11,N1(CCC(CC1(C(OC)=O)C(F)(F)F)=O)S(c2ccccc2)(=O)=O,0.0
57907,CO-ADD:0286641,-0.11,c1(NC(=O)C2=Cc3c(OC2=O)ccc(Br)c3)sc(c4c1C(OCC)=O)CCCCCCCCCC4,0.0
57908,CO-ADD:0286762,-0.11,n(c1c(n2)cccc1)(C\C(\c3ccccc3)=N\NC(=O)c4ccc(cc4)OC)c2,0.0
57909,CO-ADD:0291255,-0.11,C(/NC(=O)c(ccs1)c1)(=C\c2ccco2)\C(=O)Nc(cccc3C(F)(F)F)c3,0.0
57910,CO-ADD:0299244,-0.11,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3C(c4ccc(cc4)F)c5ccc(cc5)F)C1=O,0.0
57911,CO-ADD:0328758,-0.11,c(nn(c12)c(C)c(c(C)n1)C)(n2)S(=O)(=O)N(CC3)CCO3,0.0
57912,CO-ADD:0285015,-0.11,C(c(ccc(c1[N+](=O)[O-])C)c1)(O2)=Nc(c3C2=O)ccc(OC(C)=O)c3,0.0
57913,CO-ADD:0285647,-0.11,n1(c(ccc2C(F)(F)F)nnc1c3cc(OC)c(cc3[N+](=O)[O-])OC)c2,0.0
57914,CO-ADD:0285887,-0.11,N1(c2ccc(cc2Br)Br)C(=O)CC(N3CCC(CC3)C)C1=O,0.0
57915,CO-ADD:0328664,-0.11,N1=C(CSc(nc(c2ccco2)cc3C(F)(F)F)n3)c(c4CC1(C)C)cccc4,0.0
57916,CO-ADD:0329177,-0.11,N#CCc(cc1)ccc1NC(COc2ccc(cc2C)Cl)=O,0.0
57917,CO-ADD:0328570,-0.11,c1(CS(c2ccccc2)(=O)=O)n(C)c3c(cccc3)c1C#N,0.0
57918,CO-ADD:0328250,-0.11,c1(C2=O)c(cn(c(cc3)ccc3C(O)=O)c1c4ccccc4)N(C(=O)N2C)C,0.0
57919,CO-ADD:0328859,-0.11,c1(C(=O)c2ccc(cc2)F)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)ccc(OC)c3,0.0
57920,CO-ADD:0291117,-0.11,c1(sc(c2n1)cccc2)Nc3nc(C)cc(C)n3,0.0
57921,CO-ADD:0329574,-0.11,S(=O)(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(OCC)=O)c2c(C)cc(c(C)c2)OC,0.0
57922,CO-ADD:0327823,-0.11,c1(O)cc(C(C)=CC(=O)O2)c2cc1[C@H]([C@H](C[C@@H]34)[C@H](C)C3(C)C)C4,0.0
57923,CO-ADD:0327935,-0.11,c12n(c(cc(C)n1)C)nc(SC)n2,0.0
57924,CO-ADD:0286630,-0.11,N(C(c1ccccc1)=O)(C(C)(C)C(N2CC3(C)CC3(Cl)Cl)=O)C2=O,0.0
57925,CO-ADD:0299942,-0.11,C(C#N)(C(c1ccccc1)CC(N2)=O)=C2SCC(=O)Nc3sccn3,0.0
57926,CO-ADD:0318670,-0.11,S(=O)(=O)(NC(c1ccco1)CC(O)=O)c2cccc(nsn3)c23,0.0
57927,CO-ADD:0257939,-0.11,N1(Cc(cc2)ccc2Cl)\C(=N\c(cc3)ccc3F)\SC=C1c4ccc(c(Br)c4)OC.Br,0.0
57928,CO-ADD:0257572,-0.11,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc4c(cc5)ccc5C(OCC)=O)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
57929,CO-ADD:0257812,-0.11,c1(c2ccco2)nc(n3c1\N=C\c(cc4)ccc4SC)cccc3,0.0
57930,CO-ADD:0258028,-0.11,P(Oc1ccccc1)(Oc2ccccc2)(Oc3ccccc3)=NC(c4ccccc4)=O,0.0
57931,CO-ADD:0260025,-0.12,N1(c(cccc2C(F)(F)F)c2)C(CSCC(=O)Nc3ccccc3)=Nc(c4C1=O)cccc4,0.0
57932,CO-ADD:0257951,-0.12,N(c1ccc(c2c1)OCO2)(C(=O)C(C34)C(C=C5)OC35C)C4=O,0.0
57933,CO-ADD:0277963,-0.12,N1(c2ccc(cc2Br)Br)C(=O)CC(N(CC3)CCN3c(cc4)ccc4C(C)=O)C1=O,0.0
57934,CO-ADD:0318907,-0.12,N(Cc1ccccc1)(C(c2ccc(c(OC)c2)O)C(=O)Nc3c(C)cccc3C)C(=O)c(cc4)ccc4n5cnnn5,0.0
57935,CO-ADD:0319483,-0.12,C(O)(=O)c1ccc(cc1)CSCC(=O)Nc(ccc(c23)cccc2)c3,0.0
57936,CO-ADD:0319169,-0.12,N1(O)C(C)(C)CC(CC1(C)C)N(C)C(=O)c2ccco2,0.0
57937,CO-ADD:0329875,-0.12,C12(SCC(=O)N1c(cc3)ccc3C(NCC)=O)c4c(NC2=O)cccc4,0.0
57938,CO-ADD:0288990,-0.12,N1(OC)c2c(cccc2C#N)Oc(cccc3)c3C1=O,0.0
57939,CO-ADD:0326506,-0.12,C(C#N)(C(c(cc1)ccc1N(CC)CC)C2=C(N3c4ccccc4Cl)CCCC2=O)=C3N,0.0
57940,CO-ADD:0326466,-0.12,C1(=O)Nc2c(Oc(cc(cc3Oc(cc4)ccc4Cl)[N+](=O)[O-])c13)cccc2,0.0
57941,CO-ADD:0329640,-0.12,c(cc1F)ccc1N2N=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
57942,CO-ADD:0329464,-0.12,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc3scc(c4ccccc4)n3,0.0
57943,CO-ADD:0330016,-0.12,C1(C(F)(F)F)(NC(=O)c2ccc(cc2Cl)Cl)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)C)=O,0.0
57944,CO-ADD:0329641,-0.12,c(NC(=O)CN1c2c(N(C)C1=O)cccc2)(c(C(N)=O)nn3c4ccccc4)n3,0.0
57945,CO-ADD:0328179,-0.12,c1(c(C)c(cc(C(C)C)c1O)NC(=O)c2ccc(cc2)OC)S(=O)(=O)c3ccc(cc3)Cl,0.0
57946,CO-ADD:0328587,-0.12,C(C(OC)=O)(NC(COc1ccccc1)=O)(Nc2cc(C)ccn2)C(F)(F)F,0.0
57947,CO-ADD:0292039,-0.12,s1c(c2ccc(cc2)Br)nnc1NC(=O)c3ccc(cc3)F,0.0
57948,CO-ADD:0291951,-0.12,C1(C(=O)c2ccc(cc2)Br)=C(O)C(NC1c3ccc(cc3)OC)=O,0.0
57949,CO-ADD:0290699,-0.12,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)OC)n(c3c1S(CCC)(=O)=O)cc(cc3C)C,0.0
57950,CO-ADD:0291283,-0.12,n12c(S\C(=C/c3sccc3C)\C1=O)nc(cc(C)c(C)c4)c24,0.0
57951,CO-ADD:0329271,-0.12,N(=N1)N(c2ccccc2)C(C13)C(CC34)C(C45)CC=C5,0.0
57952,CO-ADD:0327519,-0.12,c1(\C(\CCC2)=N\OCc(cc3)ccc3F)c2non1,0.0
57953,CO-ADD:0327736,-0.12,[nH](c(ccc(c1)OC)c1c2CCNCCC3=C(C)CCCC3(C)C)c2C,0.0
57954,CO-ADD:0299487,-0.12,N1(C(c2ccc(cc2)Br)CC(c3ccc(cc3)Br)=N1)c4c(Cl)ccc(c4)C(F)(F)F,0.0
57955,CO-ADD:0328626,-0.12,C1(C(=O)NC(N2Cc3ccco3)=O)=C2NC(=O)C1(NC(CCCC)=O)C(F)(F)F,0.0
57956,CO-ADD:0285008,-0.13,c1(C(=O)c(cc2)ccc2C(=O)c3c(N)c(c4s3)ccc(CC(C)C)n4)c(N)c(c5s1)ccc(CC(C)C)n5,0.0
57957,CO-ADD:0328346,-0.13,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c5ccc(cc5)OC(F)(F)F)o4)\C1=O,0.0
57958,CO-ADD:0285312,-0.13,N1(C(=O)c2cccc(Cl)c2)N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
57959,CO-ADD:0285025,-0.13,c1(C2)c(CCN2C(=O)c3ccc(cc3)Cl)c4c(cccc4)[nH]1,0.0
57960,CO-ADD:0300030,-0.13,N1=C(c2ccccc2)CCN1c(cc3)ccc3C(O)=O,0.0
57961,CO-ADD:0329186,-0.13,c1(C2c3cccc(OC)c3)c([nH]nc1c4cc(sc4C)C)OC(N)=C2C#N,0.0
57962,CO-ADD:0327606,-0.13,n1(c2c(C)cc(cc2C)C)nnnc1SCC(=O)N3c4c(cccc4)Sc(ccc(Cl)c5)c35,0.0
57963,CO-ADD:0328040,-0.13,N1(CCC(CC1)Cc2ccccc2)C(=O)\C=C/c3ccccc3,0.0
57964,CO-ADD:0327199,-0.13,C1(Nc(cc2)cc(c2C(O)=O)[N+](=O)[O-])OC(C)C(C(O)C1O)O,0.0
57965,CO-ADD:0327448,-0.13,N(Cc1ccccc1)(C(=O)C(C23)C(c4cccc(OC)c4O)NC2(CC(C)C)C(O)=O)C3=O,0.0
57966,CO-ADD:0299873,-0.13,S1(=O)(=O)c(cccc2)c2C(N(CCOC(=O)C(CC(N3c4ccccc4)=O)C3)c5ccccc5OC)=N1,0.0
57967,CO-ADD:0290335,-0.13,c1(c(cccc2NC(=O)C(F)(F)F)c2)sc(c3n1)cccc3,0.0
57968,CO-ADD:0290290,-0.13,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c(cc4Br)c(OC)cc4N(CC)CC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
57969,CO-ADD:0291341,-0.13,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)C=C)(C)C)=C1c(cccc4OC)c34,0.0
57970,CO-ADD:0288036,-0.13,n1(nnc(C(=O)OC(C)C)c1CN(CC2)CCN2c3ccc(cc3)F)c4nonc4N,0.0
57971,CO-ADD:0288052,-0.13,C1(C(OCC)=O)=C(N)Oc(ccc(cccc2)c23)c3C1c4cccc(Cl)c4,0.0
57972,CO-ADD:0319548,-0.13,c12c(n(c(N3CCCCC3)n1)CC\N=C(/CCCCC4)\N4)C(N(C)C(=O)N2C)=O,0.0
57973,CO-ADD:0319580,-0.13,S(=O)(=O)(c1ccc(cc1)C)NCC2NCCc(cccc3)c23,0.0
57974,CO-ADD:0319197,-0.13,c1(NC(=O)C(c2ccccc2)c3ccccc3)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
57975,CO-ADD:0320052,-0.13,c1(C2c(cc3OC)cc(c3O)OC)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
57976,CO-ADD:0257353,-0.13,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(ccc(c3OC)OCc4ccc(cc4Cl)Cl)c3,0.0
57977,CO-ADD:0257929,-0.13,S(C)(=O)(=O)N(CC1)CCN1CCNC(=O)C(=O)Nc(cc2)ccc2CC,0.0
57978,CO-ADD:0257362,-0.13,c1(C(=O)N([H])\N=C\c(ccc2c3ccc(cc3[N+](=O)[O-])OC)o2)nonc1N,0.0
57979,CO-ADD:0321371,-0.13,c12n(cc(c3ccc(cc3)Cl)n1)nc(c4ccccc4)s2,0.0
57980,CO-ADD:0321396,-0.13,c(c1ccc(cc1)OCc2ccccc2F)(c3)c4c(nc3c5ccccc5O)ccc(cccc6)c46,0.0
57981,CO-ADD:0299906,-0.13,C(=O)(N\N=C\c(cc(OCO1)c1c2)c2Br)C(=O)NC3CC3,0.0
57982,CO-ADD:0326499,-0.13,[N+](=O)([O-])c(cc(Oc1cccc(c1)NC(C)=O)c(c23)C=Cc(cccc4)c4O2)c3,0.0
57983,CO-ADD:0288559,-0.13,c1(c2ccccc2)ncc(C)n1CCC(CC3)CCN3.Cl.Cl,0.0
57984,CO-ADD:0288761,-0.13,C12(CCN(CC1)C(c3oc([N+](=O)[O-])cc3)=O)CC(CCO2)CC(NC)=O,0.0
57985,CO-ADD:0326507,-0.13,C(C#N)(C1c2ccc(cc2)F)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(Cl)c4,0.0
57986,CO-ADD:0288585,-0.13,C(N(CC1Cc(n(c(c2)C)CCC)n2)CCC1)(=O)OC(C)(C)C,0.0
57987,CO-ADD:0328243,-0.13,S(=O)(=O)(c1ccc(cc1)Cl)c2c(O)cc(c(c2C)NS(=O)(=O)c3ccc(cc3)OC)C,0.0
57988,CO-ADD:0285416,-0.13,c1(N(CC2)CCN2C(c3ccccc3)=O)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
57989,CO-ADD:0328635,-0.13,C(CC1C(O)=O)CCN1S(=O)(=O)c2cccc(c2n3)ns3,0.0
57990,CO-ADD:0325998,-0.13,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccccc5Cl)C(OC)=O,0.0
57991,CO-ADD:0285513,-0.13,N1(c(ccc(c2s3)nc3SCC(=O)Nc4cccc(C)c4C)c2)C(=O)c5c(c6C1=O)c(ccc5)ccc6,0.0
57992,CO-ADD:0290524,-0.13,N1(C2CCCCC2)N=NN(CN(CC3)CCO3)C1=S,0.0
57993,CO-ADD:0290542,-0.13,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5OC)OC,0.0
57994,CO-ADD:0328189,-0.13,c1(c(O)c(C)c(c(NC(=O)c2ccc(cc2)OC)c1)C)S(c3ccccc3)(=O)=O,0.0
57995,CO-ADD:0329181,-0.13,C(=O)(Nc(cc1)ccc1CC#N)c2ccc(c(OC)c2)OC,0.0
57996,CO-ADD:0328558,-0.13,S1(CCC(C1)OC(=O)NC(=O)c2cccc(c2)OC(F)(F)C(F)F)(=O)=O,0.0
57997,CO-ADD:0327679,-0.13,c(c1CCCC2)(n23)n(cc1c4ccc(cc4)F)nc3COc5cc(C)ccc5C(C)C,0.0
57998,CO-ADD:0329294,-0.13,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c3ccccc3OCCOc(cc4)ccc4[N+](=O)[O-])\C1=N,0.0
57999,CO-ADD:0329483,-0.13,S(=O)(=O)(c1ccc(c(C)c1)F)N(CC2)CCN2c3ccc(cc3)C,0.0
58000,CO-ADD:0288566,-0.13,C1C(c2ncc(C)n2CCCOC)CN(C1)C(OC(C)(C)C)=O,0.0
58001,CO-ADD:0326313,-0.14,c1(SCC(=O)NC2CCCCC2)[nH]c3c(ccc(Br)c3)n1,0.0
58002,CO-ADD:0300023,-0.14,N(CC1)(CCS1)c2ccc(cc2)OC,0.0
58003,CO-ADD:0327662,-0.14,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1CCCOC)CC,0.0
58004,CO-ADD:0285475,-0.14,n1c2c(oc1c3ccccc3)ccc(c2)NCc(cc4)ccc4N(C)C,0.0
58005,CO-ADD:0285429,-0.14,C1(C)(C)C(C)C(CC1C(O)=O)c2ccccc2,0.0
58006,CO-ADD:0285485,-0.14,c1(csc(CCCC2)c12)C(=O)Nc3ccccc3,0.0
58007,CO-ADD:0327453,-0.14,c1(nc(c2n1CC(NN)=O)cccc2)c3nonc3N,0.0
58008,CO-ADD:0328744,-0.14,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)NCC2CCCO2)Cl)c1,0.0
58009,CO-ADD:0329312,-0.14,C(=O)(\N=C(/N)\Nc1nc(cccc2)c2c(C)n1)N(c3c4cccc3)c5c(S4)cccc5,0.0
58010,CO-ADD:0326861,-0.14,C=CCN1C(c2ccco2)=NN([C@@H]3[C@@H](C4)O[C@H](C(O)(O)C3)O4)C1=S.C=CCN5C(c6ccco6)=NN([C@H]7CC(=O)[C@H](O8)O[C@@H]7C8)C5=S,0.0
58011,CO-ADD:0326293,-0.14,N([C@@H](C(C)C)C(OC)=O)C(=O)c(cc1)ccc1C(F)(F)F,0.0
58012,CO-ADD:0326214,-0.14,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c3ccccc3)\NC(=O)c4ccccc4OC)c1C,0.0
58013,CO-ADD:0326286,-0.14,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(C45CC6CC(CC(C6)C4)C5)n1Cc7ccccn7,0.0
58014,CO-ADD:0287157,-0.14,C1(=O)c2c(cccc2)C(c(cccc3N=NN(O)c4ccccc4)c13)=O,0.0
58015,CO-ADD:0319065,-0.14,c1(C2c3ccc(c(OCC)c3)OCC)c([nH]nc1c4ccc(cc4)F)OC(N)=C2C#N,0.0
58016,CO-ADD:0319450,-0.14,c(N(CC1)CCO1)(nc([N+](C)(C)C)nc2N(CC3)CCO3)n2,0.0
58017,CO-ADD:0320676,-0.14,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c3ccc(c(OC)c3)OC)c2C,0.0
58018,CO-ADD:0257231,-0.14,n1c(c(cc2)ccc2C(C)(C)C)cc(N)n1c3ccccc3,0.0
58019,CO-ADD:0257751,-0.14,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(=C\c(cc3)ccc3N(C)C)\C(N(c4ccccc4)C1=S)=O,0.0
58020,CO-ADD:0257922,-0.14,c1(cc(cc(OC)c1OC)C2SCC(C(O)=O)N2)[N+](=O)[O-],0.0
58021,CO-ADD:0283858,-0.14,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4cccc(F)c4,0.0
58022,CO-ADD:0260211,-0.14,S(NCCSc1sc(c2n1)cccc2)(=O)(=O)c3ccc(c(OC)c3)OC,0.0
58023,CO-ADD:0284164,-0.14,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc(n5c6ccc(c(C)c6)I)C)c5C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
58024,CO-ADD:0320837,-0.14,C(c1c(N2Cc3ccccc3F)cccc1)(C2=O)(NC(=O)c(c45)c(c(C)s4)C)N5,0.0
58025,CO-ADD:0278735,-0.14,N(CN(CC1)CCC1c2ccccc2)(N=C(N3C)c4ccccc4)C3=S,0.0
58026,CO-ADD:0320980,-0.14,n1(CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc4ccccc4)nnnc1N,0.0
58027,CO-ADD:0324296,-0.14,c1(c2ccccc2C)nnn(CC(=O)Nc(cc3)ccc3OC(F)(F)F)n1,0.0
58028,CO-ADD:0323001,-0.14,n1(CC(=O)N(c2ccc(cc2)OC)C3(CCCCC3)C(=O)Nc(cc4)ccc4OC)nnnc1N,0.0
58029,CO-ADD:0287837,-0.14,n1c(SCC(=O)C2CC2)snc1SCC(=O)C3CC3,0.0
58030,CO-ADD:0287877,-0.14,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3sc(c4n3)cccc4,0.0
58031,CO-ADD:0288716,-0.14,C1(CN(C(OC(C)(C)C)=O)CCC1)n(c2C)c(nc2Br)C(CC3)CCO3,0.0
58032,CO-ADD:0285699,-0.14,S(=O)(=O)(c1ccc(cc1)N=NN2CCCC2)Nc3nc(C)cc(C)n3,0.0
58033,CO-ADD:0319340,-0.14,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCCOC(C)C)c1C,0.0
58034,CO-ADD:0319973,-0.14,c1(C2c3cc(Cl)cc(Cl)c3OC)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
58035,CO-ADD:0321110,-0.14,c1(NC(COc2ccccc2[N+](=O)[O-])=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
58036,CO-ADD:0288864,-0.14,Cc(n(c(c1)C)CCC)n1,0.0
58037,CO-ADD:0299678,-0.14,c1(OC(N)=C(C2c3cc(OC)ccc3OC)C#N)c2c(n[nH]1)COC,0.0
58038,CO-ADD:0285456,-0.14,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(C)=O)(C)C)=C1c(cc(C)cc4C)c34,0.0
58039,CO-ADD:0327183,-0.14,n12c(c(c(c3ccccc3)c1C(=S)Nc4cccc(C)c4)CCCC5)n5c(c6ccc(cc6)C)n2,0.0
58040,CO-ADD:0327337,-0.15,C(C(C)=O)(C(OC)=O)(N(CC1)CCO1)N(CC2)CCO2,0.0
58041,CO-ADD:0291148,-0.15,c(c1c2ccccc2)(C3c4cccc(O)c4)c([nH]n1)OC(N)=C3C#N,0.0
58042,CO-ADD:0290812,-0.15,C(=O)(Nc1ccccn1)C(O)(c2ccc(cc2)C)c3ccc(cc3)C,0.0
58043,CO-ADD:0291212,-0.15,n1(c2ccc(cc2)OCC)nc(c3n1)ccc(NC(COc(ccc(c4C)C)c4)=O)c3,0.0
58044,CO-ADD:0291005,-0.15,C(=N/NC(=O)c(cccn1)c1)(/c2c(N3CC(O)=O)cccc2)\C3=O,0.0
58045,CO-ADD:0319567,-0.15,N1(C(=O)\C(\SC1=N)=C\c(ccc2c(cccc3C(F)(F)F)c3)o2)c4nonc4N,0.0
58046,CO-ADD:0290750,-0.15,S(=O)(=O)(N(CC1)CCN1c2ccc(cc2)F)c3c(Cl)ccc(c3)[N+](=O)[O-],0.0
58047,CO-ADD:0290438,-0.15,c1(c2c(sc1NC(COc(cc3)ccc3Cl)=O)CCC2)C(=O)Nc4cccc(cccc5)c45,0.0
58048,CO-ADD:0330010,-0.15,c1(C(=O)Nc(cc2)ccc2NC(C)=O)scc(OCCO3)c13,0.0
58049,CO-ADD:0326800,-0.15,N1(NC(c2ccccc2)=O)C3(CCCC3)Nc(c4C1=O)cccc4,0.0
58050,CO-ADD:0328221,-0.15,c1(c(C)c(cc(C(C)C)c1O)NS(c2ccccc2)(=O)=O)S(c3ccccc3)(=O)=O,0.0
58051,CO-ADD:0328254,-0.15,n1(c2c(n3)cccc2)c3NC(C)=CC1=O,0.0
58052,CO-ADD:0286256,-0.15,c1(c2ccccc2Cl)noc(C)c1C(NCCc(cc3)ccc3S(N)(=O)=O)=O,0.0
58053,CO-ADD:0285260,-0.15,c(C(c1ccccc1)=O)(sc(c23)nc(c(CC(=O)c4ccc(cc4)Br)c2C)C)c3N,0.0
58054,CO-ADD:0285238,-0.15,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3F,0.0
58055,CO-ADD:0325994,-0.15,C(F)(F)(F)c(ccc(c1NC(=O)c(cccn2)c2)Oc(cc3)ccc3C)c1,0.0
58056,CO-ADD:0326355,-0.15,c1(c2ccco2)nnc(nc1c3ccco3)SCC(=O)Nc4cccc(Br)c4,0.0
58057,CO-ADD:0326324,-0.15,C(NCCc(c1c([nH]2)cccc1)c2)(C(F)(F)F)(C(F)(F)F)NC(=O)c3ccc(cc3)C,0.0
58058,CO-ADD:0284391,-0.15,N1(c2ccc(cc2)I)C(=O)C(CC1=O)NCCc(cc3)ccc3S(N)(=O)=O,0.0
58059,CO-ADD:0284312,-0.15,c1(N\N=C(/c2ccccc2)\N=Nc(cccc3[N+](=O)[O-])c3)sc(c4n1)cccc4,0.0
58060,CO-ADD:0324311,-0.15,c12c(n(c(SCc(nc(N)nc3N4CCCCC4)n3)n1)C)C(N(C)C(=O)N2C)=O,0.0
58061,CO-ADD:0320880,-0.15,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)Br)n1CC(CC(CC5C6)CC67)(C7)C5,0.0
58062,CO-ADD:0319693,-0.15,N(c1c(cccc1)NC(CC(c2ccc(cc2)OC)CC3=O)=C34)(C(c5ccccc5)=O)C4c(cc6)ccc6C(OC)=O,0.0
58063,CO-ADD:0258668,-0.15,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2[N+](=O)[O-])CC(=O)N\N=C(/CC3)\CCN3C,0.0
58064,CO-ADD:0320053,-0.15,N(C(=O)c1cccs1)C(=O)Nc(cc2)ccc2OC(Cl)(F)F,0.0
58065,CO-ADD:0257567,-0.15,c1(OC(=O)C=C2C)c2ccc(O)c1CN(CC3)CCN3CCO,0.0
58066,CO-ADD:0258109,-0.15,N1(C(C)C)\C(=N/C)\SC(CC(=O)Nc2ccccc2)C1=O,0.0
58067,CO-ADD:0278827,-0.15,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(O)c3,0.0
58068,CO-ADD:0277869,-0.15,N1(c2ccc(c(C)c2)C)C(=O)c3c(cccn3)C1=O,0.0
58069,CO-ADD:0278029,-0.15,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(cn(n4)Cc5ccc(cc5Cl)Cl)c4c6ccccc6)\C1=O,0.0
58070,CO-ADD:0284169,-0.15,N12C(S\C(=C\c(ccc3c(ccc(c4C(O)=O)Cl)c4)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)c(cc5Br)OC,0.0
58071,CO-ADD:0278065,-0.15,c(non1)(\C(=N/OCc(ccc(c2[N+](=O)[O-])OC)c2)\NC=N3)c13,0.0
58072,CO-ADD:0277970,-0.15,C(/C(C)=O)(=N/Nc1ccccc1)\Sc2cccc(cccn3)c23,0.0
58073,CO-ADD:0284170,-0.15,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5)ccc5SC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
58074,CO-ADD:0284554,-0.16,c1(C(O)c2ccc(cc2)OC)n(CCC)c3c(cccc3)n1,0.0
58075,CO-ADD:0260026,-0.16,n1(c2ccccc2)c(SCC(=O)Nc3c(C)ccc(Cl)c3)nnc1c(cc4)ccc4C(C)(C)C,0.0
58076,CO-ADD:0288909,-0.16,c1nc([N+](=O)[O-])cn1Cc(n2Cc3ccc(C)cc3)ncc2C,0.0
58077,CO-ADD:0289032,-0.16,c(OC)(c1)ccc(C(c2ccccc2)CC(=O)O)c1,0.0
58078,CO-ADD:0299811,-0.16,N1(c2ccccc2F)C(=O)NC(\C(=C/c(c3c([nH]4)cccc3)c4)\C1=O)=O,0.0
58079,CO-ADD:0299620,-0.16,c1(C#N)c(cccc2)c2n(C)c1CNc(cc3)ccc3F,0.0
58080,CO-ADD:0321158,-0.16,C(/Oc(c12)cc(c3c1)OCO3)(\S2)=C(\C(OC)=O)/C(F)(F)F,0.0
58081,CO-ADD:0291713,-0.16,c1(SCc2[nH]c(c3n2)cccc3)[nH]c4c(ccc(C)c4)n1,0.0
58082,CO-ADD:0319487,-0.16,C(=O)(c1ccc(cc1)CSC2CCCCC2)Nc(cc3OC)cc(c3OC)OC,0.0
58083,CO-ADD:0299829,-0.16,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c3cc(OC)ccc3OC)\C1=O)=O,0.0
58084,CO-ADD:0328389,-0.16,c1(nc(ccc(c2)C)c2c(C)n1)Nc(nc3)nc(c34)CC(CC4=O)(C)C,0.0
58085,CO-ADD:0328405,-0.16,c12c(C(c3ccc(cc3)OC)SCC(=O)N1)c(nn2c4ccccc4)c5ccccc5,0.0
58086,CO-ADD:0320369,-0.16,N1C(C)(C)CC(CC1(C)C)NCc(cc2)ccc2N(C)C,0.0
58087,CO-ADD:0291214,-0.16,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)NC(=O)c4ccc(c(cccc5[N+](=O)[O-])c5)o4,0.0
58088,CO-ADD:0290910,-0.16,s1c(C)nnc1SCc(cc2)ccc2C(O)=O,0.0
58089,CO-ADD:0290664,-0.16,N(=Nc(cccc1C(O)=O)c1)N(CC2)CCO2,0.0
58090,CO-ADD:0290728,-0.16,c1(c(cccc1[N+](=O)[O-])C(O)=O)C(=O)Nc2scc(C)n2,0.0
58091,CO-ADD:0326343,-0.16,c12n(cccc1NC(=O)C(OC)(F)C(F)(F)F)cc(c3ccccc3)n2,0.0
58092,CO-ADD:0290739,-0.16,S(=O)(=O)(c1ccc(cc1C)Cl)Oc2c(Cl)cc(c(cccn3)c23)Cl,0.0
58093,CO-ADD:0287868,-0.16,c1(n(CC(=O)N1c2ccc(cc2)F)c(c34)C(=O)N(C(=O)N3C)C)n4,0.0
58094,CO-ADD:0325983,-0.16,n1(c2c(nc1SCc3ccccc3)cccc2)S(c4ccccc4)(=O)=O,0.0
58095,CO-ADD:0292142,-0.16,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3)cc(c3OC(C)C)OC,0.0
58096,CO-ADD:0291486,-0.16,n12c(cc(C(=O)Nc3ccc(cc3OC)OC)n1)nc4c(CCc(cccc5)c45)c2C(F)(F)F,0.0
58097,CO-ADD:0291453,-0.16,C(=O)(Nc1ccccc1C(F)(F)F)N2CCC(CC2)C,0.0
58098,CO-ADD:0292174,-0.16,n1(c2ccccc2)nnnc1SCC(=O)Nc3ccccc3[N+](=O)[O-],0.0
58099,CO-ADD:0284982,-0.16,C1(C2c(cccn3)c3)=C(CC(c4ccc(cc4)Cl)CC1=O)NC(C)=C2C#N,0.0
58100,CO-ADD:0285014,-0.16,c1(C2c(ccc(c34)OCO3)c4)c(CCN2C(=O)c5ccc(cc5)Cl)c6c(cccc6)[nH]1,0.0
58101,CO-ADD:0326876,-0.16,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(NCCCN(CC4)CCO4)=O)n2,0.0
58102,CO-ADD:0327975,-0.16,c1(NC(=O)C(C(F)(F)F)C(F)(F)F)sc(c(C)c1C(OCC)=O)C(=O)Nc2cccc(Cl)c2,0.0
58103,CO-ADD:0329311,-0.16,N(C(C)=O)(C(C)C1)c2c(C1N(c3ccccc3)C(=O)c4cccs4)cccc2,0.0
58104,CO-ADD:0326619,-0.16,c1(cc(OC)cc(OC)c1)C(=O)c(cc2)ccc2C(=O)Nc(cc3)ccc3OC(F)(Cl)F,0.0
58105,CO-ADD:0326643,-0.16,n1(n2)c(nc(cc1C(F)(F)Cl)c3cccs3)cc2C(=O)N(CC4)CCO4,0.0
58106,CO-ADD:0259344,-0.16,c1(NC(CCCC)=O)nnc(CSCc2ccccc2)s1,0.0
58107,CO-ADD:0284731,-0.16,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)F)CC(=O)NCC(C)NC(=O)CN(c3ccc(cc3)F)S(c4ccccc4)(=O)=O,0.0
58108,CO-ADD:0319176,-0.16,n1(N)c(SC)nnc1SC,0.0
58109,CO-ADD:0319096,-0.16,C(COc(cc1)ccc1C(C)(C)C)(NCCOc(cc2)ccc2C)=O,0.0
58110,CO-ADD:0259603,-0.16,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
58111,CO-ADD:0257903,-0.16,S(=O)(=O)(c(ccc(c12)C(=O)c3c(cccc3)C1=O)c2)N(CC4)CCN4C\C=C\c5ccccc5,0.0
58112,CO-ADD:0320645,-0.16,N1(Cc(cc2)ccc2Cl)\C(=N\c(ccc(c3Cl)Cl)c3)\SC(C(=O)Nc(cc4)ccc4OC(F)(F)Cl)CC1=O,0.0
58113,CO-ADD:0258995,-0.16,N1\C(=N\N=C\c2ccccc2O)\SCC1=O,0.0
58114,CO-ADD:0319718,-0.16,n1(c2ccccc2)nnnc1SCC(=O)Nc3nonc3N,0.0
58115,CO-ADD:0320630,-0.16,c12c(n(cn1)CCNC(=O)N(C)C)C(N(C)C(=O)N2C)=O,0.0
58116,CO-ADD:0260036,-0.17,S(c1ccccc1)(=O)(=O)N(c2cccc(C)c2)CC(NCCSc3sc(c4n3)cccc4)=O,0.0
58117,CO-ADD:0257356,-0.17,c(C#N)(c(\C(\C#N)=C\c(ccc1c2cccc(Cl)c2Cl)o1)nn3c4ccccc4)c3N([H])[H],0.0
58118,CO-ADD:0320965,-0.17,c1(c(C)[nH]c(C(OCC)=O)c1C)C2C3=C(CCCC3=O)OC(N)=C2C#N,0.0
58119,CO-ADD:0324201,-0.17,C(C(OC)=O)(C1c2ccc(cc2)Cl)=CN(C=C1C(OC)=O)C3CC3,0.0
58120,CO-ADD:0320711,-0.17,C(=N/c(ccc(c12)c3c(cccc3)o1)c2)(/c4c(N5)cccc4)\C5=O,0.0
58121,CO-ADD:0260218,-0.17,C(c1ccc(cc1)OCc(ccc(c23)cccc2)c3)(NC(=O)\C=C\c4ccccc4)NC(=O)\C=C\c5ccccc5,0.0
58122,CO-ADD:0284362,-0.17,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Br)cc(C(=O)NCc(cc4)ccc4Cl)n2,0.0
58123,CO-ADD:0319178,-0.17,c1(NC(=O)C(C)Oc2ccccc2Br)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
58124,CO-ADD:0291095,-0.17,C(=C/c(cc1)cc(c1N(C)C)Br)(/C(=O)NC(N2CC=C)=O)\C2=O,0.0
58125,CO-ADD:0291634,-0.17,C1(NC(NCC(C)=C)=S)=C(C)N(N(c2ccccc2)C1=O)C,0.0
58126,CO-ADD:0299215,-0.17,C(C(OCC)=O)(NC(CC)=O)(C(F)(F)F)Nc1sc(c(CC)c1C#N)C,0.0
58127,CO-ADD:0319602,-0.17,n1(CC=C)c(SCC(=O)Nc2cccc(F)c2)nnc1c3cccs3,0.0
58128,CO-ADD:0299225,-0.17,N1(c2ccc(cc2)OCCCCCC)C(=O)C(CC1=O)NCCc(cc3)ccc3Cl,0.0
58129,CO-ADD:0299665,-0.17,c12c(C(c(cccc3)c3C1=O)=O)c(cc4c2noc4NC(C)C)NC(C)C,0.0
58130,CO-ADD:0327912,-0.17,S(=O)(=O)(c1cc(C)ccc1C)Nc(c(cccc2)c23)cc4c3oc(CCC(C)C5)c45,0.0
58131,CO-ADD:0327809,-0.17,c1cc(nc(c2cc(C(C)(C)C)c(O)c([C@]3([H])C[C@H](C(C)(C)C34C)CC4)c2)[nH]5)c5cc1,0.0
58132,CO-ADD:0327969,-0.17,C(O)(C(F)(F)F)(C(F)(F)F)c(cc(CC)cc1C(O)(C(F)(F)F)C(F)(F)F)c1O,0.0
58133,CO-ADD:0291775,-0.17,N12C(S\C(=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5c(OC)ccc(cccc6)c56,0.0
58134,CO-ADD:0292080,-0.17,C1([N+](=O)[O-])=C(Nc(ccc(c2C)C)c2)c3c(cccc3)OC1=O,0.0
58135,CO-ADD:0291909,-0.17,n1c2c(n(C)c1C=O)ccc(c2)[N+](=O)[O-],0.0
58136,CO-ADD:0287434,-0.17,c1(cc2F)c(NC=CC1=O)cc2N3CCCCCC3,0.0
58137,CO-ADD:0287511,-0.17,c1(c2ccc(cc2Cl)Cl)nnc(S)n1C3CCCCC3,0.0
58138,CO-ADD:0287431,-0.17,N12C(S\C(=C/c3c(OC)ccc(ccc(OC)c4)c34)\C1=O)=NC(C)=C(C(C)=O)C2c5ccccc5OC,0.0
58139,CO-ADD:0291210,-0.17,n1(c2ccc(cc2)C)nc(c3n1)ccc(NC(COc(ccc(c4C)C)c4)=O)c3,0.0
58140,CO-ADD:0329279,-0.17,C1(=O)c2c(ccc(I)c2)N=C(\C=C(\c(cccc3)c3N4CC)/C4=O)N1c(cc5)ccc5[N+](=O)[O-],0.0
58141,CO-ADD:0329896,-0.17,C(CN1CCCCC1)(C(C)=C(C#N)C(N2CCC)=O)=C2O,0.0
58142,CO-ADD:0291816,-0.17,C(/c1c(N2C)cccc1)(\C2=O)=C(\SC(N3c4ccc(c(C)c4)C)=S)/C3=O,0.0
58143,CO-ADD:0329968,-0.17,N#CCc(cc1)ccc1NC(COc2cccc(C)c2)=O,0.0
58144,CO-ADD:0329775,-0.17,N(COc(c12)ccc(Cl)c1)(C2)c3cccc(C)c3C,0.0
58145,CO-ADD:0291511,-0.17,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(=O)Nc(c(Cl)ccc4C(F)(F)F)c4)c1Cl,0.0
58146,CO-ADD:0285662,-0.17,C1(=N2)N(c3c(cccc3)N1CCN(CC4)CCO4)\C(\C2=O)=C/c(ccc5[N+](=O)[O-])o5,0.0
58147,CO-ADD:0285017,-0.17,c(c1ccccc1Br)([nH]c(n2)c3ccc(cc3)Br)c2c4ccc(cc4)Br,0.0
58148,CO-ADD:0285057,-0.17,n1(c(C)c(c(C)n1)Br)C(=O)c2c(Br)cnn2C,0.0
58149,CO-ADD:0290662,-0.17,c1(cc(F)c(cc1N2CCCC2)N(CC3)CCO3)[N+](=O)[O-],0.0
58150,CO-ADD:0285338,-0.17,c12c(n(c(SCC(OCC)=O)n1)C)C(N(C)C(=O)N2C)=O,0.0
58151,CO-ADD:0285378,-0.17,C(C#N)(C1=O)=C(c2ccccc2)N=C(SCC(=O)Nc3cccc(cccc4)c34)N1,0.0
58152,CO-ADD:0285386,-0.17,c(C(=O)c1ccc(cc1)C)(sc(c23)nc(cc2c4ccc(C)o4)C)c3N,0.0
58153,CO-ADD:0285106,-0.18,C1(c2ccccc2)=C(C1C(=O)Nc3c(C)cc(cc3C)C)c4ccccc4,0.0
58154,CO-ADD:0284050,-0.18,c1(C(F)F)cc(no1)\C=C\c2cccs2,0.0
58155,CO-ADD:0284678,-0.18,P(c1ccccc1)(c2ccccc2)(=O)c3ccccc3OCOc4ccccc4P(c5ccccc5)(c6ccccc6)=O,0.0
58156,CO-ADD:0258571,-0.18,[N+](=O)([O-])c1cccc(\C=N\Nc(nc(NCc2ccco2)nc3Nc(cc4)ccc4OC)n3)c1O,0.0
58157,CO-ADD:0321313,-0.18,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OCC)OCCOc4ccccc4OC)c3)\C1=N,0.0
58158,CO-ADD:0258594,-0.18,c1(C(=O)C2CC2)oc(c3c1NC(=O)CN4CCCC4)cccc3,0.0
58159,CO-ADD:0283731,-0.18,c1(Cc(c23)cccc2)c3ccc(C(CCCCCl)=O)c1,0.0
58160,CO-ADD:0259443,-0.18,c12c(nnc(SCC(=O)Nc3ccccc3OC)n1)c4c(cccc4)n2C,0.0
58161,CO-ADD:0277799,-0.18,C1(C(OCCOCC)=O)=C(C)NC(NC1c2cccc(Br)c2)=O,0.0
58162,CO-ADD:0319679,-0.18,C1(C2c(cccn3)c3)=C(CC(c(cc4)ccc4C(C)(C)C)CC1=O)Nc(c5N2C(CCCCC)=O)cccc5,0.0
58163,CO-ADD:0320615,-0.18,n1(CC=C)c(SCC(=O)Nc(c(Cl)ccc2C(F)(F)F)c2)nnc1c(cccn3)c3,0.0
58164,CO-ADD:0320623,-0.18,C(=O)(NCC1CCCO1)c2ccccc2c3ccccc3,0.0
58165,CO-ADD:0277543,-0.18,c1(SCC(=O)Nc(cc2)ccc2CC)nccn1Cc3ccccc3,0.0
58166,CO-ADD:0259667,-0.18,c1(SCC(=O)c(cc2)ccc2C(=O)CSc3nc(C)ccc3C#N)nc(C)ccc1C#N,0.0
58167,CO-ADD:0259006,-0.18,C(=C/C(=O)c(cc1)ccc1[N+](=O)[O-])(/Nc(cccc2)c2N3)\C3=O,0.0
58168,CO-ADD:0324235,-0.18,c1(N(CC2)CCN2C34CC(CC5C3)CC(C5)C4)nc(NCCO)nc(OCC(F)(F)F)n1,0.0
58169,CO-ADD:0258406,-0.18,c1(nnc(Cc(cc2)ccc2Cl)s1)NC(=O)c3ccc(cc3)C,0.0
58170,CO-ADD:0259891,-0.18,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
58171,CO-ADD:0259716,-0.18,C(C1=O)(C23Br)C(C(N1c4ccc(c(Br)c4)C)=O)C(c(cccc5)c25)(c(cccc6)c36)Br,0.0
58172,CO-ADD:0324251,-0.18,c12c([nH]nc1c3ccc(cc3)Br)OC(N)=C(C#N)C2c4c[nH]nc4c5ccc(cc5)F,0.0
58173,CO-ADD:0258070,-0.18,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc(OC)c(c3)O)c3Br,0.0
58174,CO-ADD:0287499,-0.18,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)Cl)=C(O)C(N2c(cc4)ccc4S(=O)(=O)Nc5sccn5)=O,0.0
58175,CO-ADD:0299410,-0.18,N1(c2ccc(cc2)OC(C)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)Oc4ccccc4,0.0
58176,CO-ADD:0290467,-0.18,c1(N(CC2)CCO2)nsnc1Cl,0.0
58177,CO-ADD:0319434,-0.18,C1=C(NCCOC(C2)(C3)CC(CC3C4)CC24)C5(OC1=O)CCCCC5,0.0
58178,CO-ADD:0285481,-0.18,c12c(c3c(cccc3)[nH]1)nnc(SCC4COc(c5O4)cccc5)n2,0.0
58179,CO-ADD:0326687,-0.18,n12c(c3c(cccc3)c(cccc4)c14)nnc2c5ccco5,0.0
58180,CO-ADD:0328170,-0.18,c12c(n(c(NC3CCCCC3)n1)CC)C(N(C)C(=O)N2C)=O,0.0
58181,CO-ADD:0326799,-0.18,N1(NC(=O)c2ccc(cc2)Br)C3(CCCC3)Nc(c4C1=O)cccc4,0.0
58182,CO-ADD:0326223,-0.18,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3Cl)\NC(=O)c4ccco4)c1C,0.0
58183,CO-ADD:0328416,-0.18,c12c(ccc(c1OC)N\C(\c3ccccc3)=C\C(c4ccccc4)=O)c(c(C)[nH]2)C,0.0
58184,CO-ADD:0329303,-0.18,n1(c2c(n3)cccc2)c3S\C(=C/c(c(cccc4)c4n5CCOc6ccccc6CC=C)c5)\C1=O,0.0
58185,CO-ADD:0291449,-0.18,C1(C(N)=O)OC(OC1C(N)=O)(C)C(C)(C)C,0.0
58186,CO-ADD:0329936,-0.18,c1(sc2c3cc(c4n2)COC(C)(C)C4)c3nc(C)nc1NCCN(CC)CC,0.0
58187,CO-ADD:0292154,-0.18,c12c(c(nn1c3ccccc3)C)cc(C(=O)Oc(cc4)ccc4Br)s2,0.0
58188,CO-ADD:0291891,-0.19,c12c(c(nn1c3ccccc3)C)cc(C(=O)Nc(c(C)cc(c4[N+](=O)[O-])C)c4)s2,0.0
58189,CO-ADD:0329280,-0.19,C1(=O)c2c(ccc(I)c2)N=C(\C=C\c(ccc3[N+](=O)[O-])o3)N1c4ccc(cc4)OC,0.0
58190,CO-ADD:0285841,-0.19,N(C(C)C1)(C(=O)c2cccc(Cl)c2)c3c(C1N(c4ccccc4)C(C)=O)cccc3,0.0
58191,CO-ADD:0285857,-0.19,C12=C(C(Nc(ccc(OC)c3)c13)(C)C)SN(c4ccc(c(OC)c4)OC)C2=S,0.0
58192,CO-ADD:0285681,-0.19,C(C1)(C2CCN1C)c3c(N2)ccc(C)c3.Cl.Cl,0.0
58193,CO-ADD:0326127,-0.19,[N+](=O)([O-])c1c(F)ccc(c1)NC(CSc2nnc(N)s2)=O,0.0
58194,CO-ADD:0285220,-0.19,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)SCC(N)C(OCC)=O.Cl,0.0
58195,CO-ADD:0285107,-0.19,N1(CC(=O)Nc(cccc2C(=O)NCC(C)C)c2)C(=O)c3c(cccc3)C1=O,0.0
58196,CO-ADD:0285124,-0.19,c12c(nnc(SC(C)C)n1)c3c(cccc3)n2CCc4ccccc4,0.0
58197,CO-ADD:0290895,-0.19,C(/S\C(\C1=O)=C\c2cc(Cl)ccc2OCCCCCCCC)(=N/C(C)=O)\N1,0.0
58198,CO-ADD:0290927,-0.19,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc2cccc(OCCC)c2,0.0
58199,CO-ADD:0258765,-0.19,c12c(ccc(C)c1C)C3C(C(c(cc4)ccc4[N+](=O)[O-])N2)CC=C3,0.0
58200,CO-ADD:0284496,-0.19,c12c(nnc(SCC(=O)N(c3ccccc3)c4ccccc4)n1)c(c5n2C(C)C)cccc5,0.0
58201,CO-ADD:0284217,-0.19,c1(C#N)c(SC)nsc1N\N=C\c2ccccc2OCc(cc3)ccc3Br,0.0
58202,CO-ADD:0323841,-0.19,n1c(N2CCCCCC2)nc(nc1N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)Nc(cc7)ccc7OC(F)(F)F,0.0
58203,CO-ADD:0323227,-0.19,c1(SC)c(ccc(\C=C(/C)\C)n1)CNC(=O)c2ccc(cc2)Cl,0.0
58204,CO-ADD:0257359,-0.19,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4Br)cc(c4O)Br)\C1=O,0.0
58205,CO-ADD:0258741,-0.19,c(c1c2cccc1)(cc(n2)c3ccc(cc3)OC)C(=O)Nc(cc4)ccc4C,0.0
58206,CO-ADD:0259175,-0.19,C1(C(=O)OC2CCCCCC2)=C(C)NC(NC1c3ccc(c(OC)c3)OCCC)=O,0.0
58207,CO-ADD:0319661,-0.19,C1(C2c(cc3)ccc3C(OC)=O)=C(CC(c4ccccc4)CC1=O)Nc(c5N2C(C)=O)cccc5,0.0
58208,CO-ADD:0277652,-0.19,C1(C(OCC)=O)=C(CSc2nc(c3ccccc3)cc(c4ccccc4)n2)NC(=O)N1,0.0
58209,CO-ADD:0259670,-0.19,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CSc3nc(C)c(c(C)c3C#N)C,0.0
58210,CO-ADD:0257495,-0.19,n1(nnc(COC)c1C(=O)NNC(=O)c2ccccc2Br)c3nonc3N,0.0
58211,CO-ADD:0323004,-0.19,N(c1cccc(c1)[N+](=O)[O-])(S2)C(=O)c(c23)ccc(C(=O)c(c4C5=O)cccc4)c35,0.0
58212,CO-ADD:0257967,-0.19,N1(CN(CCc(cc2)ccc2F)CN3C(=O)c4c(cccc4)C3=O)C(=O)c5c(cccc5)C1=O,0.0
58213,CO-ADD:0318974,-0.19,N1(CC(O)COc(ccc(c23)cccc2)c3)C(=O)c(c4C1=O)cccc4,0.0
58214,CO-ADD:0286683,-0.19,N1(c2ccccc2Oc(cc3)ccc3C#N)C(=O)c4c(cc(cc4)Br)C1=O,0.0
58215,CO-ADD:0287406,-0.19,N1(C2c3cccc(OC)c3)C(S\C(=C/c(ccc4c5cc(Cl)ccc5C)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
58216,CO-ADD:0326639,-0.19,c1(NC(=O)CN(CC2)CCN2Cc3ccccc3)cc(on1)C,0.0
58217,CO-ADD:0329027,-0.19,S(=O)(=O)(c1ccc(cc1)Cl)c2c(O)cc(c(c2)NS(=O)(=O)c3ccc(cc3)OC)C,0.0
58218,CO-ADD:0320406,-0.19,C(NCCc(ccc(c1OCC)OCC)c1)(=O)Nc(cc2)ccc2F,0.0
58219,CO-ADD:0291429,-0.19,C(C1CCCCC1)(=O)c2ccc(cc2)C,0.0
58220,CO-ADD:0292053,-0.19,n(c(c1ccc(c(C)c1)C)c2)c3c(c2C(=O)Nc(ccc(c4C)C)c4)cccc3Cl,0.0
58221,CO-ADD:0290551,-0.19,N1(c(cc2)ccc2N3C(=O)C(CC3=O)Sc4nc(c5ccccc5)cc(C(F)(F)F)c4C#N)C(=O)C(CC1=O)Sc6nc(c7ccccc7)cc(C(F)(F)F)c6C#N,0.0
58222,CO-ADD:0328424,-0.19,c(CN(Cc1ccccc1)S(CC)(=O)=O)(c(C)n(c2C(OCC)=O)[H])c2C,0.0
58223,CO-ADD:0329024,-0.19,C1(C2=O)C(C(NC1(CC(C)C)C(O)=O)c3ccc(cc3O)OC)C(N2c4ccc(cc4)OC)=O,0.0
58224,CO-ADD:0290988,-0.2,N1=C(SCCc2ccccc2)Nc(c3C1=O)cccc3,0.0
58225,CO-ADD:0328425,-0.2,c(CN(C1CCCCC1)S(C)(=O)=O)(c(C)n(c2C(OCC)=O)[H])c2C,0.0
58226,CO-ADD:0291037,-0.2,N1(c2ccc(c3c2)OCO3)C(=O)\C(\SC1=N)=C\c(ccc(c4OC)OCc(cc5)ccc5F)c4,0.0
58227,CO-ADD:0291158,-0.2,C1(NC(CSc(nnc(c23)c4c(cccc4)[nH]2)n3)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
58228,CO-ADD:0285680,-0.2,[N+](=O)([O-])c1cccc(c(ccn2)C)c12,0.0
58229,CO-ADD:0329929,-0.2,N1=C(COc(nc(c2cccs2)cc3C(F)(F)F)n3)c(c4CC1(C)C)cccc4,0.0
58230,CO-ADD:0328841,-0.2,S([C@H](O[C@@H]1COC(c2ccccc2)=O)[C@H](OC(c3ccccc3)=O)[C@@H](OC(c4ccccc4)=O)[C@@H]1OC(c5ccccc5)=O)C(N(CC=C)C(=O)c(cccc6)c67)=N7,0.0
58232,CO-ADD:0285364,-0.2,C(C#N)(C(CC(N1)=O)c2ccc(c(OCC)c2)O)=C1SCC(OCc3ccccc3)=O,0.0
58233,CO-ADD:0286741,-0.2,c1(NC(=O)CN(CC2)CCO2)nnc(SCC(=O)Nc(cc3)ccc3OC)s1,0.0
58234,CO-ADD:0329491,-0.2,S(=O)(=O)(N(CC1)CCN1c2cccc(Cl)c2)c3ccc(c(cccc4)c34)OC,0.0
58235,CO-ADD:0319356,-0.2,C1(=O)c2c(CN1CCNC(=S)NC3CCCCC3)cccc2,0.0
58236,CO-ADD:0286621,-0.2,C1(C(=O)OC[C@@H]2CCCN3[C@]2([H])CCCC3)=Cc4c(OC1=O)cccc4.Cl,0.0
58237,CO-ADD:0277486,-0.2,n1(c2ccccc2)c(SCc(ccc(c34)OCO3)c4)nnc1c5ccccc5,0.0
58238,CO-ADD:0277967,-0.2,c1(non2)c2nc(Cl)c(Nc3cccc(C)c3)n1,0.0
58239,CO-ADD:0318789,-0.2,c1(NC(C2CCCCC2)=O)sc(c3c1C(OC)=O)CCCC3,0.0
58240,CO-ADD:0278542,-0.2,c(cc1)ccc1N(C(c2ccc(cc2)OC)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5)C3=S,0.0
58241,CO-ADD:0258937,-0.2,c1(ccc[nH]1)\C=N\c(cc2)ccc2\N=C\c3ccc[nH]3,0.0
58242,CO-ADD:0257935,-0.2,c1(N=Nc2ccccc2)c(cc(OC)cc3)c3n(C)c1CC(OCC)=O,0.0
58243,CO-ADD:0257864,-0.2,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3OCc4ccc(cc4Cl)Cl)CCCC2,0.0
58244,CO-ADD:0257872,-0.2,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc4c5ccc(c(Cl)c5)C)o4)\C1=O,0.0
58245,CO-ADD:0324071,-0.2,c1(N(CC2)CCN2c3ccc(cc3)OC)nc(OC)nc(Nc(cc4)ccc4F)n1,0.0
58246,CO-ADD:0284523,-0.2,N1(NC(C)=O)C(c2ccc(c(OC)c2)OC)Nc(c3C1=O)cccc3,0.0
58247,CO-ADD:0324425,-0.2,N1(CN2CCC(CC2)Cc3ccccc3)c(ccc(c4Br)C)c4C(=O)C1=O,0.0
58248,CO-ADD:0259829,-0.2,C1(C(OCCCl)=O)=C(C)NC(NC1c2ccc(c(Cl)c2)Cl)=O,0.0
58249,CO-ADD:0283686,-0.2,c(C(C)(C)C(C)(C)C#N)([nH]nn1)n1,0.0
58250,CO-ADD:0284553,-0.2,c1(NCc2nc(c3n2Cc4ccccc4)cccc3)nc(c5n1CCN(CC6)CCO6)cccc5,0.0
58251,CO-ADD:0320427,-0.2,c1(N(CC2)CCN2c3cccc(Cl)c3)nc(NC)nc(Nc(cc4)ccc4OC(F)(F)F)n1,0.0
58252,CO-ADD:0287557,-0.2,N1(c2ccccc2)C(=O)C(SC1=O)Nc3cccc(cccc4)c34,0.0
58253,CO-ADD:0287589,-0.2,c1(ccnn1C)C(O\N=C\c(ccc(c2CN(CC3)CCO3)OC)c2)=O,0.0
58254,CO-ADD:0320467,-0.2,C1(c2ccccc2)(Nc(ccc(c34)c5c(cccc5)o3)c4)C(=O)c(c6C1=O)cccc6,0.0
58255,CO-ADD:0287710,-0.2,N1(\N=C(/CCCCC2)\C2)C(=O)c3c(NC1c4ccccc4Cl)cccc3,0.0
58256,CO-ADD:0291643,-0.2,C1(=C(C)NC(NC1c2ccccc2F)=S)C(=O)Nc3ccccc3,0.0
58257,CO-ADD:0321175,-0.2,C1(SC(F)(F)C(F)(Cl)OC(F)(F)F)=C(C)N(N(c2ccccc2)C1=O)C,0.0
58258,CO-ADD:0320007,-0.2,c(nn(c12)c(C)cc(C)n1)(S(=O)(=O)Nc3ccc(cc3Cl)Cl)n2,0.0
58259,CO-ADD:0289278,-0.2,N(Cc1ccccc1)(Cc(ccc(c2C3)OCCN3)c2)C(=O)C4CC4.Cl,0.0
58260,CO-ADD:0286291,-0.2,N(C(N)=CC(N1)=O)=C1SCC(=O)NCc2ccco2,0.0
58261,CO-ADD:0290638,-0.2,N1(c2c(cccc2)Sc(ccc(c3)C(F)(F)F)c13)C(=O)c4ccc(c(Cl)c4)Cl,0.0
58262,CO-ADD:0299697,-0.2,C1(C#N)(CC(N2)(O)C(C(c3ccccc3)C1(C#N)C#N)C)C2=O,0.0
58263,CO-ADD:0320461,-0.2,C1(=S)N(CCC(C)C)NC(C)(C)N1,0.0
58264,CO-ADD:0328748,-0.2,c1(c(C)c(Cl)c(nc1Oc(cc2)ccc2F)C)C(=O)N(CC)c3ccccc3,0.0
58265,CO-ADD:0328797,-0.2,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NNc3c(Cl)cc(cn3)Cl,0.0
58266,CO-ADD:0288590,-0.2,C(=O)(OC(C)(C)C)N1CCC(CC1)Cc2ncc(C)n2CC3CC3,0.0
58267,CO-ADD:0288743,-0.21,C1(OCCn2c(c3cccnc3)ncc2C)(CC(CC45)CC(C4)C1)C5,0.0
58268,CO-ADD:0329325,-0.21,[nH]1c(ccc(c2)OC)c2c(CCNC(N)=N)c1.I,0.0
58269,CO-ADD:0329965,-0.21,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(cc3)ccc3CC#N,0.0
58270,CO-ADD:0329973,-0.21,c1(SCC(=O)N2CCc(c3C2)cccc3)nnnn1C,0.0
58271,CO-ADD:0327612,-0.21,n1(c(CCl)nn2)c2c3c(cccc3)c(Cl)n1,0.0
58272,CO-ADD:0329917,-0.21,N1(CCC(=O)Nc2cc(OC)c(cc2C(O)=O)OC)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
58273,CO-ADD:0291708,-0.21,C1([N+](=O)[O-])=C(\C=C\c(ccc(c23)OCO2)c3)NC(NC1=O)=O,0.0
58274,CO-ADD:0327329,-0.21,C1(C2=O)C(C(N2c3ccc(cc3)Cl)=O)N(N=C1C(OC)=O)c4ccccc4,0.0
58275,CO-ADD:0327721,-0.21,c1(n2)c(cc(c(C(c(cccc3)c3C4=O)=O)c14)Nc(cc5)ccc5C)n(n2)c6ccccc6,0.0
58276,CO-ADD:0299911,-0.21,c1(SC(C)C(NCCc(ccc(c2OC)OC)c2)=O)nnc(N)s1,0.0
58277,CO-ADD:0284979,-0.21,C12=C(CC(c3ccc(cc3)Cl)CC1=O)NC(C)=C(C#N)C2c4ccc(c(OC)c4)OC(C)=O,0.0
58278,CO-ADD:0285667,-0.21,C(=O)(Nc1ccccc1)CC(=O)Nc2ccccc2,0.0
58279,CO-ADD:0285822,-0.21,C1(C(c(cc2)ccc2[N+](=O)[O-])Oc(c3N1)ccc(Cl)c3)(C=C4C(C)(C)C)C=C(C4=O)C(C)(C)C,0.0
58280,CO-ADD:0285616,-0.21,C1(c2ccc(cc2)C)=NNC3(CCCCCCCCCCC3)S1,0.0
58281,CO-ADD:0326218,-0.21,[nH]1c(cccc2)c2c(CCNC(=O)\C(\NC(=O)c3cccc(Br)c3)=C\c4ccco4)c1C,0.0
58282,CO-ADD:0326258,-0.21,c(cc(c1)C(N2CC=C)=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S)cn1,0.0
58283,CO-ADD:0326770,-0.21,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc4ccccc4)c5ccc(cc5)Cl,0.0
58284,CO-ADD:0318870,-0.21,N1(Cc(cc2)ccc2Cl)\C(=N\c(cc3)ccc3Cl)\SC(C(=O)Nc(cc4)ccc4C(O)=O)CC1=O,0.0
58285,CO-ADD:0283948,-0.21,N1(c2cccc(C)c2C)C(CSc3[nH]c(c4n3)cccc4)=Nc(c5C1=O)cccc5,0.0
58286,CO-ADD:0284660,-0.21,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C/c(cc3)ccc3F)\C1=O)C,0.0
58287,CO-ADD:0257888,-0.21,c(C#N)(c1c2ccc(cc2)OC)c(\N=C\c3cc(Br)ccc3O)oc1c4ccc(cc4)OC,0.0
58288,CO-ADD:0257936,-0.21,c1(C(OCC)=O)c2c(n(c3ccccc3)c1CN4CCCC4)cc(Br)c(O)c2CN(C)C,0.0
58289,CO-ADD:0324353,-0.21,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5S(N)(=O)=O)c2,0.0
58290,CO-ADD:0258080,-0.21,n1(c2ccccc2)nnnc1SCC(=O)N\N=C\c(ccc3c4ccc(c(Cl)c4)C)o3,0.0
58291,CO-ADD:0324081,-0.21,c1(C(OCC)=O)c2c(n(C)c1C)ccc(OCN3Cc4ccccc4)c2C3,0.0
58292,CO-ADD:0257409,-0.21,N(CCc(c12)c3c(cccc3)[nH]1)(C2c(ccc(c45)OCO4)c5)C(=O)c6ccccc6Cl,0.0
58293,CO-ADD:0278794,-0.21,c1(c2ccccc2Cl)nnn(Cc(ccc(c3Cl)Cl)c3)n1,0.0
58294,CO-ADD:0277681,-0.21,c12c(nnc(SCc3ccccc3)n1)c4c(cccc4)n2CCc5ccccc5,0.0
58295,CO-ADD:0283210,-0.21,s1c(c2ccccc2N)nnc1N(CC3)CCO3,0.0
58296,CO-ADD:0259884,-0.21,C(C(=O)c1ccc(cc1)Cl)(C2c3ccccc3F)=C(O)C(N2c(cccc4C(F)(F)F)c4)=O,0.0
58297,CO-ADD:0259688,-0.21,C(CSCc(cc1)ccc1OC)(=O)N\N=C(\C2)/CCC2,0.0
58298,CO-ADD:0257416,-0.21,c(CC(NC(OCc1ccccc1)=O)C(=O)Nc(cc2)ccc2I)(c3c([nH]4)cccc3)c4,0.0
58299,CO-ADD:0320499,-0.21,C(=N\c(cc1)ccc1OC)(/SC(C(=O)Nc(cc2)ccc2OC(Cl)(F)F)CC3=O)\N3CCc4ccccc4,0.0
58300,CO-ADD:0318682,-0.21,c12c(ccc(C(N)=O)c1[N+](=O)[O-])C(=O)c(c3C2=O)cccc3,0.0
58301,CO-ADD:0319406,-0.21,S(=O)(=O)(c1ccc(cc1)NC(=O)\C=C\c(cc2)ccc2c3ccccc3)N4CCCC4,0.0
58302,CO-ADD:0289320,-0.21,c(C1)(c2COCc(cc3)ccc3C)c(CCN1)n(n2)C.Cl,0.0
58303,CO-ADD:0321144,-0.21,N1(c2cccc(C)c2)C(=O)c3c(cccn3)C1=O,0.0
58304,CO-ADD:0300064,-0.22,C(=C\c(ccc1[N+](=O)[O-])s1)(/C(=O)NC(N2C)=O)\C2=O,0.0
58305,CO-ADD:0286668,-0.22,c1(c2cccc(c2)NC(CC(C)C)=O)oc(c3n1)cccc3,0.0
58306,CO-ADD:0286284,-0.22,C1(c(cccc2)c2C3(c4ccccc4C)c5ccccc5C)(S3)N(c6ccccc6)N=C(C(c7ccccc7)=O)S1,0.0
58307,CO-ADD:0286412,-0.22,c1(nc(C)cc(C)n1)S(=O)CC(COCc2ccccc2)O,0.0
58308,CO-ADD:0289124,-0.22,n1c(CCN(C)C(=O)c2cccc(C)c2)noc1c(ccc3C(O)=O)cc3,0.0
58309,CO-ADD:0329686,-0.22,P(CCCC(N)(Cc1ccccc1)C(O)=O)(O)(O)=O,0.0
58310,CO-ADD:0330047,-0.22,C(=O)(NC1CCCCC1)C2(CCCC2)c3ccc(c(OC)c3)OC,0.0
58311,CO-ADD:0288660,-0.22,C(=O)(N(CC1Cn2c(COC)ncc2C)C1)OC(C)(C)C,0.0
58312,CO-ADD:0326822,-0.22,c1(c2SCC)c(ccc2C(=O)Nc3ccccc3C)C(=O)c(c4C1=O)cccc4,0.0
58313,CO-ADD:0285203,-0.22,c1(NC(=O)c2cccc(C)c2)n(c3ccccc3)ncc1C(=O)N4CCCC4,0.0
58314,CO-ADD:0291943,-0.22,[N+](=O)([O-])c(cc1)ccc1C(=O)N(CC2)CCN2c3ccccc3OC,0.0
58315,CO-ADD:0328453,-0.22,c1(N2CCCCC2)nc(OCC#N)nc(NCC)n1,0.0
58316,CO-ADD:0327501,-0.22,C(F)(F)(F)Oc(cc1)ccc1NC(=O)CN(CC2)CCN2Cc3ccccc3,0.0
58317,CO-ADD:0327502,-0.22,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN4CCCCC4C,0.0
58318,CO-ADD:0327534,-0.22,c1(C(=O)c2ccc(cc2)Br)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)cccc3,0.0
58319,CO-ADD:0299431,-0.22,N1(c2cccc(OC(C)=O)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4,0.0
58320,CO-ADD:0328342,-0.22,n1c(C)scc1CN(CC2)CCN2C(=O)c(cc3)ccc3C(=O)c4c(C)cc(cc4C)C.Cl,0.0
58321,CO-ADD:0328239,-0.22,c1(c(O)c(C)c(c(NS(=O)(=O)c(cccc2[N+](=O)[O-])c2)c1)C)S(c3ccccc3)(=O)=O,0.0
58322,CO-ADD:0326467,-0.22,N1(c2ccccc2)C(=O)C(N(C3c4ccc(cc4)OC)C1=O)Cc(c35)c6c([nH]5)cccc6,0.0
58323,CO-ADD:0326404,-0.22,n12c(S\C(=C/c(ccc(c3OC)OCCCCCCC)c3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
58324,CO-ADD:0326476,-0.22,[nH]1c(ccc(c2)C(=O)NCC(CO)O)c2c3c1CCCC3,0.0
58325,CO-ADD:0299817,-0.22,N1(c2ccccc2F)C(=O)NC(\C(=C/c3ccc(C)s3)\C1=O)=O,0.0
58326,CO-ADD:0328383,-0.22,N12c(c(C(C)(c3ccccc3)CC1(C)C)ccc4)c4C(=O)C2=O,0.0
58327,CO-ADD:0328887,-0.22,N#CCc(cc1)ccc1NC(COc2ccc(cc2Cl)Cl)=O,0.0
58328,CO-ADD:0326342,-0.22,c1(NC(=O)C(C(F)(F)F)C(F)(F)F)sc(c2c1C#N)CCC2,0.0
58329,CO-ADD:0327169,-0.22,C(C(=O)c1ccc(cc1)Cl)(C2c3cccc(F)c3)=C(O)C(N2c4ccc(cc4)OCC(O)=O)=O,0.0
58330,CO-ADD:0291056,-0.22,n1(cnc(cc(C)c(C)c2)c12)C(=O)c3cccs3,0.0
58331,CO-ADD:0290315,-0.22,c1(cc2F)c(NC=CC1=O)cc2N(CC3)CCO3,0.0
58332,CO-ADD:0318895,-0.22,c12c(cc(Sc(cc3)ccc3C(C)(C)C)cc1N4CCCCC4)C(=O)c(c5C2=O)cccc5,0.0
58333,CO-ADD:0318743,-0.22,c1(Br)c(ccc(Cl)c1)OCC(=O)Nc(cccn2)c2,0.0
58334,CO-ADD:0324509,-0.22,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c3c1C#N)CCCC3,0.0
58335,CO-ADD:0323653,-0.22,N1(c2ccccc2)C(=O)c3c(N=C1SCC(OCC)=O)cccc3,0.0
58336,CO-ADD:0278979,-0.22,n1(nnc(C)c1C(=O)NNC(=O)c(ccc(c2Cl)Cl)c2)c3nonc3N,0.0
58337,CO-ADD:0323381,-0.22,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5C(=O)N(C)C)c2,0.0
58338,CO-ADD:0283669,-0.23,C1(C(OCCSCC)=O)=C(C)NC(NC1c2cccc(O)c2)=O,0.0
58339,CO-ADD:0323710,-0.23,N(c1ccc(cc1)OC)(C(=O)c(cc2)ccc2n3cnnn3)C4(CCCCC4)C(=O)Nc5ccccc5C,0.0
58340,CO-ADD:0323622,-0.23,C(NCC(CC1CC2CC3C1)(C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccccc4OC,0.0
58341,CO-ADD:0324085,-0.23,C1(=O)N(CC(=O)N(CCCC)CCCC)c2c(cccc2)N1CC(=O)N(CCCC)CCCC,0.0
58342,CO-ADD:0324894,-0.23,[N+](=O)([O-])c(cc(SCCO)cc1NC(=O)c(ccc(c23)OCO2)c3)c1,0.0
58343,CO-ADD:0258430,-0.23,N1(CCCCCC(O)=O)C(C)(O)C2(OC1=O)CCCCC2,0.0
58344,CO-ADD:0278749,-0.23,N1(CC(O)=O)C(=O)\C(\SC1=S)=C\c(ccc2c(cc3)ccc3C(OCC)=O)o2,0.0
58345,CO-ADD:0287998,-0.23,C1(C(OC)=O)=C(C)NC(=O)CC1c(ccc(c2[N+](=O)[O-])C)c2,0.0
58346,CO-ADD:0288558,-0.23,n(CCC(CC1)CCN1)(c(C)cn2)c2COC.Cl.Cl,0.0
58347,CO-ADD:0288977,-0.23,n12c(cc(CC)n1)c3c(Oc(cc(cc4)C#N)c24)cccc3,0.0
58348,CO-ADD:0288546,-0.23,c1(C(CC2)CCO2)ncc(C)n1C(CN3)C3,0.0
58349,CO-ADD:0288930,-0.23,C1(Oc(cccc2)c2c(cc(C)n3)n34)=C4C=NN(C)C1=O,0.0
58350,CO-ADD:0289045,-0.23,[nH](c1C)c(c(C)c1C(OCC)=O)C(=O)N2CCC(CC(=O)O)CC2,0.0
58351,CO-ADD:0289241,-0.23,n1c(COC(CC2)CCN2)onc1C(C)C.Cl,0.0
58352,CO-ADD:0319023,-0.23,c1(NC(COc2ccc(cc2Br)Cl)=O)sc(c3c1C#N)CCC3,0.0
58353,CO-ADD:0321129,-0.23,c12c(cccc1N3CCCC3)C(=O)c(c4C2=O)cccc4,0.0
58354,CO-ADD:0321161,-0.23,C12=C(c3c(cccc3)OC1=O)O\C(=C(/C(OC)=O)\C(F)(F)F)\S2,0.0
58355,CO-ADD:0288478,-0.23,c1(C(CCO2)CC2)ncc(C)n1C(C3)CCN3.Cl.Cl,0.0
58356,CO-ADD:0318963,-0.23,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCN(CC4)CCO4)c5ccc(cc5)Br,0.0
58357,CO-ADD:0286332,-0.23,N1(CCc2ccccc2)C(=O)C(CC1=O)NCCc(cc3)ccc3S(N)(=O)=O,0.0
58358,CO-ADD:0328146,-0.23,S(=O)(=O)(c(cccc1C(=O)Nc2sc(c3c2C#N)CC(CC3)C)c1)N(CC4)CCO4,0.0
58359,CO-ADD:0328051,-0.23,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2cccc(nsn3)c23,0.0
58360,CO-ADD:0329452,-0.23,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc3sc(cc3C(OCC)=O)c4ccccc4,0.0
58361,CO-ADD:0286222,-0.23,c1(SCC(=O)Nc(cccc2C(OC)=O)c2)[nH]c(c3n1)cccc3,0.0
58362,CO-ADD:0326043,-0.23,N1(C2=O)C(SCC1c(cc3OC)cc(c3O)Cl)=Nc4c2c5c(s4)CCCC5,0.0
58363,CO-ADD:0288041,-0.23,n12c(S\C(=C\c3cccc(F)c3)\C1=O)nc(cc(Br)cn4)c24,0.0
58364,CO-ADD:0290433,-0.23,c1(c2c(cccc2)c(nn1)C)Nc3ccccc3C,0.0
58365,CO-ADD:0285189,-0.23,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)c4ccccc4Cl)cc(cc3)OCC,0.0
58366,CO-ADD:0291985,-0.23,c1(ccc(cc1OC)OC)C(=O)Nc(cc2)ccn2,0.0
58367,CO-ADD:0299293,-0.23,N1(C(C)(C)CC(c(cccc2)c12)C)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
58368,CO-ADD:0299517,-0.23,N1(CN2CCc(c3C2)cccc3)c(cccc4)c4\C(=N\c(cc5)ccc5Cl)\C1=O,0.0
58369,CO-ADD:0299438,-0.23,c1(NC(CSc2nc(c3ccccc3)cc(c4ccc(cc4)OC)c2C#N)=O)nnc(CC)s1,0.0
58370,CO-ADD:0299310,-0.23,N1=C(c2ccccc2)CCN1C(C#N)c3ccc(c(OC)c3)OC,0.0
58371,CO-ADD:0329207,-0.23,S(=O)(=O)(c1ccc(cc1)CC)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
58372,CO-ADD:0328584,-0.24,N1(C(=O)c2ccc(cc2)Cl)C(=S)N=C(C=CC(Cl)=C3)N13,0.0
58373,CO-ADD:0291398,-0.24,N1(c2ccc(cc2)OCC(O)=O)C(=O)C(C(C3c4c5cccc4)C1=O)C5c6c3cccc6,0.0
58374,CO-ADD:0327873,-0.24,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(CCC4CCCC4)=O,0.0
58375,CO-ADD:0287166,-0.24,C(/C#N)(=C/c(ccc1c2ccc(cc2)Br)o1)\C(=O)NCC3CCCO3,0.0
58376,CO-ADD:0327986,-0.24,n(c(c1ccc(cc1)O)c2c(c3Nc(cc4)ccc4OC(F)(F)F)cccc2)n3,0.0
58377,CO-ADD:0285007,-0.24,N1(c(cccc2N3C(=O)C(CC3=O)Sc(cc4)ccc4[N+](=O)[O-])c2)C(=O)C(CC1=O)Sc(cc5)ccc5[N+](=O)[O-],0.0
58378,CO-ADD:0287317,-0.24,c12c(N=CNC1=O)c3c(cccc3)[nH]2,0.0
58379,CO-ADD:0325974,-0.24,C(C(OCC)=O)(C(F)(F)F)(NC(OCC)=O)Nc1sc2c(ccc(Cl)c2)n1,0.0
58380,CO-ADD:0326456,-0.24,n1(CC(=O)N(c2ccc(cc2)OC)C3(CCCCC3)C(=O)Nc4c(C)cccc4C)nnnc1N,0.0
58381,CO-ADD:0326561,-0.24,n12c(c(cn1)C#N)nc(c3c2C(F)(F)F)CCCC3,0.0
58382,CO-ADD:0290300,-0.24,c1(c2sccc2C)[nH]c(c(c3ccccc3)n1)c4ccccc4,0.0
58383,CO-ADD:0290348,-0.24,C(=N\OC(=O)c1ccc(cc1)Cl)(/c23)\C(c4ccccc4)\C(\c2cccc3)=N/OC(=O)c5ccc(cc5)Cl,0.0
58384,CO-ADD:0258035,-0.24,C(=C\c(cc(n1c2ccc(cc2)F)C)c1C)(/C(=O)NC(N3)=S)\C3=O,0.0
58385,CO-ADD:0284704,-0.24,N1(c2c(OC)ccc(OC)c2)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(cc4OC)cc(c4OC)OC,0.0
58386,CO-ADD:0257506,-0.24,S(=O)(=O)(N(CC(C)C)CC(C)C)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c(ccc(c2[N+](=O)[O-])N3CCCC3)c2,0.0
58387,CO-ADD:0277966,-0.24,[nH]1c2c(nc1SCc(cc(OCO3)c3c4)c4Cl)cc(Br)cn2,0.0
58388,CO-ADD:0318875,-0.24,C(=N/c(cc1)ccc1F)(/SC(C(=O)Nc(cc2)ccc2OCC)CC3=O)\N3C,0.0
58389,CO-ADD:0318891,-0.24,c1(C2c3ccc(cc3)OCc4ccccc4F)c([nH]nc1c5ccc(cc5)F)OC(N)=C2C#N,0.0
58390,CO-ADD:0318755,-0.24,C(NCCc(c(cccc1)c1n2C)c2C)(C(F)(F)F)(C(F)(F)F)NC(=O)c3ccc(cc3)Cl,0.0
58391,CO-ADD:0323715,-0.24,N(C(C)=O)(c1c(C2C3C(=O)Nc(c4S3)cccc4)cc(Br)cc1)C2=O,0.0
58392,CO-ADD:0283807,-0.24,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)Oc(cccc2NC(=O)c3ccco3)c2)Cl)c1,0.0
58393,CO-ADD:0319664,-0.24,N(c1c(cccc1)NC(CC(c2ccccc2)CC3=O)=C34)(C(=O)C5CC5)C4c(cccn6)c6,0.0
58394,CO-ADD:0278734,-0.24,C1(c2ccccc2)(Nc(cc3)ccc3OCC(N)=O)C(=O)c(c4C1=O)cccc4,0.0
58395,CO-ADD:0277583,-0.24,N1(c2ccccc2F)C(=O)C(CC1=O)S\C(\NC)=N\c(cc3)ccc3OCC,0.0
58396,CO-ADD:0283687,-0.24,c(CN(CC1)CCO1)(n2)n(C)nn2,0.0
58397,CO-ADD:0257400,-0.24,c1(CN(C)C)nnnn1c(cccc2n3nnnc3CN(C)C)c2,0.0
58398,CO-ADD:0259628,-0.24,c1(SCc(cc2)ccc2I)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
58399,CO-ADD:0291763,-0.24,C(=C\c(cc1)ccc1OCCCCCCC)(/C2=O)\C(c3ccc(cc3)Cl)=NO2,0.0
58400,CO-ADD:0291427,-0.24,C1(=S)N(Cc2ccccc2Cl)c3c(cc(c(C)c3)C)N1[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5,0.0
58401,CO-ADD:0286509,-0.24,C12(c3c(cccc3)C(=NN1c4ccccc4)c(cc5)ccc5C(C)(C)C)SC(=NN2c6ccccc6)C(C)=O,0.0
58402,CO-ADD:0326583,-0.24,c(nnc1SCC(=O)Nc2ccc(cc2[N+](=O)[O-])OCC)(nc(NCC)nc3NCC)n13,0.0
58403,CO-ADD:0326199,-0.24,N1(c(cc2)ccc2N3CCCCC3)C(=O)CC(N4CCCCC4)C1=O,0.0
58404,CO-ADD:0286405,-0.24,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)I)=C(O)C(N2CCCCCCCCCCCCCCCC)=O,0.0
58405,CO-ADD:0286429,-0.24,C(/C(OCC)=O)(\[N+](=O)[O-])=C(/SC)\Nc1ccccc1,0.0
58406,CO-ADD:0326373,-0.24,S(N)(=O)(=O)c1csc(C(O)=O)c1,0.0
58407,CO-ADD:0288018,-0.24,C1(=O)c2c(SN1c3ccccc3)cc(cc2N=[N+]=[N-])[N+](=O)[O-],0.0
58408,CO-ADD:0290970,-0.24,c(c1c2cccc1)(C(=O)OCC(=O)c3ccc(cc3)Br)cc(n2)c4ccccc4,0.0
58409,CO-ADD:0325933,-0.25,C(F)(F)(Sc1c(O)cc2c(OCO2)c1)C(C(OC)=O)C(F)(F)F,0.0
58410,CO-ADD:0326326,-0.25,c1(cc(nn1c2ccc(cc2)OC(F)(Cl)F)C)NC(=O)Nc3ccccc3,0.0
58411,CO-ADD:0327254,-0.25,C1(SCC(=O)N1c2ccc(cc2)Cl)(c3c(N4CN(CC5)CCN5Cc6ccccc6)cccc3)C4=O,0.0
58412,CO-ADD:0328488,-0.25,c(nnc1c2ccccc2OC)(o1)c3c(OC)cc(c4c3)cccc4,0.0
58413,CO-ADD:0299328,-0.25,c1(OC(N)=C(C2c3ccc(c(OCC)c3)O)C#N)c2c(n[nH]1)C,0.0
58414,CO-ADD:0329825,-0.25,c1(sc2c3CC(CC2C)(C)C)c3C(NC=N1)=O.c4(sc5c6CC(CC5(C)C)C)c6C(NC=N4)=O,0.0
58415,CO-ADD:0329147,-0.25,C1(CN(C)CCC1(O)c2ccc(cc2)Cl)C(=O)c3ccc(cc3)Cl,0.0
58416,CO-ADD:0287872,-0.25,C(/c1c(N2C(C)=O)cccc1)(=C(\S\C(\N3)=N/C(C)=O)/C3=O)\C2=O,0.0
58417,CO-ADD:0329948,-0.25,C12=C(CC(C)(C)CC1=O)OC(=C(CC)C2=O)CCCC,0.0
58418,CO-ADD:0287512,-0.25,N1(c2cccc(c2)C(O)=O)C(c3ccc(cc3)OCC)c4c(CC1=O)cc(OC)c(OC)c4,0.0
58419,CO-ADD:0326641,-0.25,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2Cc3csc(C)n3.Cl,0.0
58420,CO-ADD:0326826,-0.25,N12C(C=C(c3ccc(cc3)F)C(c4ccc(cc4)F)=N1)=Nc(cccc5)c5C2=O,0.0
58421,CO-ADD:0287797,-0.25,c12c(c(nn1c3ccc(cc3)C)C)C(C(C#N)=C(N)O2)c4cccc(Cl)c4,0.0
58422,CO-ADD:0329346,-0.25,c(nc1C)(nc2c1cc(cc2C)C)Nc3nc(C)cc(c4ccccc4)n3,0.0
58423,CO-ADD:0286099,-0.25,C1(C2c3cccc(F)c3)=C(NCCN=C1c4ccccc4)C(N2c5ccccc5)=O,0.0
58424,CO-ADD:0326177,-0.25,C(C(OC)=O)(Nc1cc(C)cc(C)n1)(C(F)(F)F)NC(=O)c2ccc(cc2)C,0.0
58425,CO-ADD:0319089,-0.25,C(NCCOc(cc1)ccc1C)(=O)c2ccc(cc2)OCCCC,0.0
58426,CO-ADD:0319013,-0.25,c1(SCc(cc2)ccc2CSc3[nH]c(c4n3)cccc4)[nH]c(c5n1)cccc5,0.0
58427,CO-ADD:0318982,-0.25,C(=O)(N1CCCCC1)C2CC=CCC2C(=O)Nc(cc3)ccc3C,0.0
58428,CO-ADD:0318817,-0.25,c1(NC(COc(cc2C)cc(c2Cl)C)=O)sc(c3c1C(OC)=O)CCCC3,0.0
58429,CO-ADD:0259745,-0.25,c1(nnc(C)s1)NC(=O)C(CC)Sc2nc(c3ccccc3)cc(c4ccccc4)n2,0.0
58430,CO-ADD:0318841,-0.25,c1(c(F)c(F)c(c(F)c1F)F)C(=O)Nc2nc(C)cc(C)n2,0.0
58431,CO-ADD:0278159,-0.25,c1(NC(C)=O)cc(nn1Cc(cc2)ccc2Cl)c3cccc(Br)c3,0.0
58432,CO-ADD:0318930,-0.25,c1(nc(c2n1CC(=O)N\N=C\c(cc3)ccc3OCc4ccccc4F)cccc2)c5nonc5N,0.0
58433,CO-ADD:0277617,-0.25,c1(SCC)sc2c(ccc(c2)\N=C\c3cc(I)ccc3O)n1,0.0
58434,CO-ADD:0258027,-0.25,C(=C\c(cc(Br)c(c1[N+](=O)[O-])O)c1)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
58435,CO-ADD:0257557,-0.25,C1(N(CC2)CCN2C(c3ccccc3)=O)=CC(OC14CCCCC4)=O,0.0
58436,CO-ADD:0257438,-0.25,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc(ccc(c3Cl)F)c3,0.0
58437,CO-ADD:0277334,-0.26,n(c1ccc(cc1)F)(c2C)c(C)cc2\C=C(\SC(N3)=S)/C3=O,0.0
58438,CO-ADD:0284647,-0.26,N1(CN2CCC(CC2)C)C(=O)\C(\SC1=S)=C/c(cc3)ccc3C,0.0
58439,CO-ADD:0278015,-0.26,n1(c2C)c(ncc2C(OCC)=O)cc(c(cc3)ccc3C(C)(C)C)n1,0.0
58440,CO-ADD:0279119,-0.26,C1(C(OCC)=O)=C(Nc2ccccc2)CC(C(C(OCC)=O)C1c(cccc3[N+](=O)[O-])c3)(C)O,0.0
58441,CO-ADD:0324344,-0.26,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5Cl)c2,0.0
58442,CO-ADD:0258992,-0.26,c1(N\N=C\c(cc2)ccc2Cl)nncn1N.Cl.Cl,0.0
58443,CO-ADD:0324088,-0.26,n1c(SCC(OCC)=O)nc(c2c1O)cccc2,0.0
58444,CO-ADD:0258963,-0.26,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c(c(C)c5)cc(c5[N+](=O)[O-])C)o4)\C1=O,0.0
58445,CO-ADD:0257890,-0.26,c1(Nc2ccccc2OC)sc(c(c3ccc(cc3)C)n1)C,0.0
58446,CO-ADD:0324424,-0.26,C1(O)(c2c(NC1=O)cccc2)CC(=O)C3CC(CC34)C=C4,0.0
58447,CO-ADD:0319025,-0.26,c1(NC(=O)c2ccccc2[N+](=O)[O-])sc(c3c1C(OCC)=O)CCCCC3,0.0
58448,CO-ADD:0291939,-0.26,N1(C2c3ccccc3Cl)C(S\C(=C/c(ccc4c5ccc(cc5[N+](=O)[O-])C)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
58449,CO-ADD:0319377,-0.26,c1(c2ccc(cc2C)C)n[nH]c(O)c1,0.0
58450,CO-ADD:0326463,-0.26,C(C(OC)=O)(=CN(CCN(C=C1C(OC)=O)C=C(C1c2ccccc2OC)C(OC)=O)C=C3C(OC)=O)C3c4ccccc4OC,0.0
58451,CO-ADD:0326184,-0.26,C1(C(=O)N(C)C(N2C)=O)=C2NC(=O)C1(C(F)(F)F)NC(=O)c3ccc(cc3)C,0.0
58452,CO-ADD:0286112,-0.26,s1c(COc(cc2)ccc2C(C)CC)nnc1N,0.0
58453,CO-ADD:0327250,-0.26,C12=C(C(NC(C)=N1)=O)SC(=S)N2Cc3ccccc3,0.0
58454,CO-ADD:0327586,-0.26,c(C(=O)NC(N1)c2ccccc2)(sc3c4c(COC)cc(C)n3)c14,0.0
58455,CO-ADD:0327371,-0.26,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2C5=CC(c6c(cccc6)O5)=O)cccc4,0.0
58456,CO-ADD:0291954,-0.26,C(C(c1ccccc1)=O)(C2c3ccc(cc3)F)=C(O)C(N2CCCCCC)=O,0.0
58457,CO-ADD:0285207,-0.26,C(/SC=C1c2ccc(cc2)F)(=N\c3c(OC)cc(c(OC)c3)Cl)\N1CC,0.0
58458,CO-ADD:0290484,-0.26,c1(S(CCC)(=O)=O)c(C(OC)=O)n(c2c1S(CCC)(=O)=O)cccc2C,0.0
58459,CO-ADD:0290500,-0.26,c1(Oc(ccc(c2C)C)c2)cc(C#N)c(cc1Oc(ccc(c3C)C)c3)C#N,0.0
58460,CO-ADD:0290700,-0.26,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)C)n3c(c4c(cc3)cccc4)c1S(CCC)(=O)=O,0.0
58461,CO-ADD:0291788,-0.26,N1(c2ccc(cc2)F)C(=O)\C(=C\c(cc(n3c4ccc(cc4)Br)C)c3C)\C(NC1=S)=O,0.0
58462,CO-ADD:0287565,-0.26,C1(=O)Oc(c2S1)ccc(c2)OC(=O)Nc3cccc(Cl)c3,0.0
58463,CO-ADD:0329155,-0.26,c1(cnc(c2c1c3ccccc3)cccc2)c4ccc(c5n4)cccc5,0.0
58464,CO-ADD:0287416,-0.26,C(C(OCC)=O)(C1c2ccccc2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
58465,CO-ADD:0328196,-0.26,c1(c(C)c(cc(C(C)C)c1O)NC(=O)c(cccc2[N+](=O)[O-])c2)S(c3ccccc3)(=O)=O,0.0
58466,CO-ADD:0328588,-0.26,C(C(OC)=O)(NC(Cc1ccccc1)=O)(C(F)(F)F)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
58467,CO-ADD:0326690,-0.26,c12c(ccc(C(=O)Nc3cccc(C)c3)c1SC)C(=O)c(c4C2=O)cccc4,0.0
58468,CO-ADD:0291862,-0.26,n1(c2cc(C)ccc2OC(CCCCC)=O)nc(c3n1)cccc3,0.0
58469,CO-ADD:0285026,-0.26,n1c(c(cc2)ccc2C#Cc3ccccc3)[nH]c(c4ccccc4)c1c5ccc(cc5)Cl,0.0
58470,CO-ADD:0326722,-0.26,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)Nc4c(OC)ccc(OC)c4)cccc3,0.0
58471,CO-ADD:0329250,-0.26,N1(C(CSC1c(cc2)ccc2N(C)C)C(N3c(cccc4C(F)(F)F)c4)=O)C3=S,0.0
58472,CO-ADD:0326864,-0.26,S(=O)(=O)(NC(CC1(C)C)CC(N1)(C)C)c2c(Cl)cc(c(OC)c2)Cl,0.0
58473,CO-ADD:0291748,-0.26,C(=C\c(cccn1)c1)(/C=C(O2)c3ccc(cc3)CC)\C2=O,0.0
58474,CO-ADD:0291780,-0.26,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc4c5ccc(cc5Br)[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
58475,CO-ADD:0291989,-0.26,c1(scc(CC(OCC)=O)n1)NC(COc2ccc(cc2Br)C)=O,0.0
58476,CO-ADD:0327247,-0.26,N(Cc1ccccc1)(C(=O)C(C23)C(c4cc(Br)ccc4O)NC2(CC(C)C)C(O)=O)C3=O,0.0
58477,CO-ADD:0289109,-0.26,c1(C(=O)Nc2cccc(C)c2)sc(nn1)CCC(O)=O,0.0
58478,CO-ADD:0327319,-0.26,C1(OC2)(OCC2(C)[N+](=O)[O-])c3c(NC1=O)cccc3,0.0
58479,CO-ADD:0319943,-0.26,c1(C2c3ccc(c(OC)c3)OCC(N)=O)c([nH]nc1c4ccc(cc4)OCC)OC(N)=C2C#N,0.0
58480,CO-ADD:0319375,-0.26,N1C(c2ccc(c(OCC)c2)OCc3ccccc3C)SCC1C(O)=O,0.0
58481,CO-ADD:0318706,-0.26,N(CC1N2CCc(cccc3)c13)(C2c(cccc4[N+](=O)[O-])c4)S(c5ccccc5)(=O)=O,0.0
58482,CO-ADD:0318775,-0.26,C(=O)(c1cccc(C)c1)Oc2cccc(cccn3)c23,0.0
58483,CO-ADD:0318856,-0.26,c1(C2c3ccc(c4c3)OCO4)c([nH]nc1c5ccc(c(OC)c5)OCC)OC(N)=C2C#N,0.0
58484,CO-ADD:0318667,-0.26,N1(C(=O)\C(\SC1=N)=C/c(ccc2c3cc(Cl)c(cc3Cl)Cl)o2)c4nonc4N,0.0
58485,CO-ADD:0318795,-0.27,c1(NC(C2CCCCC2)=O)sc(c(C)c1C(OC)=O)C,0.0
58486,CO-ADD:0318861,-0.27,C1(C2c3ccc(cc3)OC(=O)N(CC4)CCO4)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
58487,CO-ADD:0259035,-0.27,N1(C)C(C)CC(CC1C)OC(=O)C(c2ccccc2)Cc(cc3)ccc3OC,0.0
58488,CO-ADD:0283490,-0.27,N(C(C)=O)C(O)C(O)NC(C)=O,0.0
58489,CO-ADD:0258042,-0.27,C1(C(=O)OC(C)C)=C(C)NC(NC1c2cccc(OC)c2)=O,0.0
58490,CO-ADD:0257731,-0.27,N1(NC(=O)c2ccccc2F)C(=O)C(C(C34)C1=O)C(c5c3cccc5)c6c4cccc6,0.0
58491,CO-ADD:0259461,-0.27,c1(c2Cl)c(cc(cc1N=[N+]=[N-])[N+](=O)[O-])sn2,0.0
58492,CO-ADD:0319818,-0.27,c1(NC(COc2cccc(C)c2C)=O)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
58493,CO-ADD:0277488,-0.27,c1(SCc(ccc(c23)OCO2)c3)sc4c(ccc(OCC)c4)n1,0.0
58494,CO-ADD:0277703,-0.27,C1(O)(CC(=NO1)\C=C\c2cccs2)C(F)(F)F,0.0
58495,CO-ADD:0277759,-0.27,N1(c2ccccc2)C(=O)CC(N(CC3)CCN3c4ccccc4)C1=O,0.0
58496,CO-ADD:0258098,-0.27,N12C(S\C(=C\c(ccc3c(cccc4C(O)=O)c4)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)ccc5OC,0.0
58497,CO-ADD:0277948,-0.27,C12(\C=C\c(ccc(c3OC)OC)c3)N(CC(=O)N1)c4c(cccc4)C2(C)C,0.0
58498,CO-ADD:0318970,-0.27,C1(C(=O)Nc(cccc2C(C)=O)c2)=Cc3c(OC1=O)ccc(Br)c3,0.0
58499,CO-ADD:0289371,-0.27,n1c(C)noc1c2ccc(cc2)OC(C3)CN3.Cl,0.0
58500,CO-ADD:0319034,-0.27,N1(CC(=O)Nc(cc2)ccc2Oc(cc3)ccc3NC(=O)CN4C(=O)c(c5C4=O)cccc5)C(=O)c6c(cccc6)C1=O,0.0
58501,CO-ADD:0319346,-0.27,c1(C2=O)c(sc(c3cccc(OC)c3)c1)N=C(S)N2c4ccccc4,0.0
58502,CO-ADD:0288437,-0.27,n(Cc1ccccc1)(c(C)cn2)c2CCN,0.0
58503,CO-ADD:0328491,-0.27,[N+](=O)([O-])c(cc(Oc(cc1)ccc1NC(C)=O)c(c23)C=Cc(cccc4)c4O2)c3,0.0
58504,CO-ADD:0328747,-0.27,n1(c(C)c(nn1)C(C)=O)c2nc(NCC)nc(N3CCCCC3)n2,0.0
58505,CO-ADD:0328827,-0.27,C1(C(CC)=O)=C(NCCC(O)=O)CC(c2ccccc2)CC1=O,0.0
58506,CO-ADD:0329820,-0.27,n12c(SCC(c3ccc(cc3)F)=N1)nnc2COc(cc4)ccc4C(C)(C)C,0.0
58507,CO-ADD:0290882,-0.27,N1(c2ccccc2)C(=O)c3c(N=C1SC(C)C(C)=O)cccc3,0.0
58508,CO-ADD:0290986,-0.27,c1(SCCOc(cc2)ccc2C)nc(c3n1CC(O)=O)cccc3,0.0
58509,CO-ADD:0290453,-0.27,[N+](=O)([O-])c(c(C)c(N)cc1[N+](=O)[O-])c1,0.0
58510,CO-ADD:0299938,-0.27,C(=C(C)NC(=C1C#N)SCC(=O)Nc(ccc(c2Cl)C)c2)(C(=O)Nc3ccccc3OC)C1c4ccccc4,0.0
58511,CO-ADD:0328181,-0.27,c1(c(C)c(cc(C(C)C)c1O)NC(c2ccccc2)=O)S(=O)(=O)c3ccc(cc3)OC,0.0
58512,CO-ADD:0292169,-0.27,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Nc(ccc(c23)OCCO2)c3,0.0
58513,CO-ADD:0291876,-0.27,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)O1)=C/c(cc3OCC)cc(c3OCc4cccc(C)c4)Cl,0.0
58514,CO-ADD:0326407,-0.27,n12c(S\C(=C/c(ccc3c4cccc(F)c4)o3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
58515,CO-ADD:0285618,-0.27,C1(c2ccc(cc2)C)=NNC3(CCCCCCC3)S1,0.0
58516,CO-ADD:0328381,-0.27,N12c(c(C(C)=CC1(C)C)cc(c3)OC)c3C(=O)C2=O,0.0
58517,CO-ADD:0291838,-0.27,c1(NC(COc2ccccc2[N+](=O)[O-])=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
58518,CO-ADD:0329151,-0.27,C(C(OC)=O)(=CN(CCCN1CCCC1=O)C=C2C(OC)=O)C2c3ccc(C)s3,0.0
58519,CO-ADD:0285820,-0.27,N1(NC(=O)c(ccc(c2C3=O)C(N3CC(C)C)=O)c2)C(=O)c4c(cccc4)C1=O,0.0
58520,CO-ADD:0285660,-0.27,N1C(c2ccccc2)CC(C(CCCCCCC)C1c3ccccc3)=O.CC(=O)O,0.0
58521,CO-ADD:0326273,-0.28,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCO)C45CC6CC(CC(C6)C4)C5,0.0
58522,CO-ADD:0326713,-0.28,n1(c2c(s3)cccc2)c3nnc1SCC(=O)Nc4cccc(C)c4C,0.0
58523,CO-ADD:0327352,-0.28,N1C(=O)\C(\NC1=S)=C\c2cc3c(nc2N4CCCCC4)ccc(OC)c3,0.0
58524,CO-ADD:0289134,-0.28,n1c(c2ccc(cc2)OC)onc1C(C3)CN3,0.0
58525,CO-ADD:0288610,-0.28,C(=O)(OC(C)(C)C)N(C1)CCC(C1)Cn2c(C)cnc2c(ccc3)cn3,0.0
58526,CO-ADD:0288946,-0.28,n1(ncc2CN(CC3)CCO3)c2c4c(Oc(cc5[N+](=O)[O-])c1nc5)cccc4,0.0
58527,CO-ADD:0289002,-0.28,O1c2c(cccc2)CNc(nccn3)c13,0.0
58528,CO-ADD:0319985,-0.28,N(CN1CCCCC1)(N=C(N2c3ccccc3)c4ccc(c(OC)c4)OC)C2=S,0.0
58529,CO-ADD:0299925,-0.28,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(Cl)c3C)C2c4cccs4,0.0
58530,CO-ADD:0257614,-0.28,N12C(S\C(=C\c(ccc3c(ccc(c4C(O)=O)Cl)c4)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5c(OC)ccc(cccc6)c56,0.0
58531,CO-ADD:0283198,-0.28,c12c(c(cc(N(CC)CC)c1N)O)C(c3c(cccc3)C2=O)=O,0.0
58532,CO-ADD:0319155,-0.28,n12c(cccc1Cl)nnc2c3cccc(I)c3,0.0
58533,CO-ADD:0257892,-0.28,C(=C\c(cc1)ccc1CC)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
58534,CO-ADD:0258961,-0.28,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2OC)cc(c2OCC)Br,0.0
58535,CO-ADD:0321283,-0.28,c1(nonc1[N-][N+](=O)[O-])[N-][N+](=O)[O-],0.0
58536,CO-ADD:0320605,-0.28,[N+](=O)([O-])c1ccc(cc1)NCCCNC(=O)c2ccc(cc2)C,0.0
58537,CO-ADD:0258348,-0.28,c1(cc2c(cc1NC(=O)c3cccc(OC)c3)OCCO2)C(=O)c4ccccc4Cl,0.0
58538,CO-ADD:0318752,-0.28,C(O)(=O)\C=C\c(ccc(c1OC)OCc(ccc(c2Cl)Cl)c2)c1,0.0
58539,CO-ADD:0258701,-0.28,C12(c3c(cccc3)C(=NN1c4ccccc4)c5cc(C)ccc5C)SC(=NN2c6ccccc6)C(C)=O,0.0
58540,CO-ADD:0258077,-0.28,C(=O)(Oc(cc1)ccc1I)C(c2c3cccc2)c4c(O3)cccc4,0.0
58541,CO-ADD:0258117,-0.28,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4cccc(C)c4)c3)\N2,0.0
58542,CO-ADD:0278289,-0.28,C(=N\c(cc1)ccc1F)(/SC(C2=O)CC(=O)NCc3ccccc3)\N2C,0.0
58543,CO-ADD:0259288,-0.28,s1c(c(cc2OC)cc(c2OC)OC)nnc1NC(=O)c(ccc(c3Cl)Cl)c3,0.0
58544,CO-ADD:0319507,-0.28,C(=S)(Nc1ccccc1)NNC(COc(cc2)ccc2C3CCCCC3)=O,0.0
58545,CO-ADD:0288454,-0.28,n1(Cc2ccco2)c(C)cnc1C3CCCCN3.Cl.Cl,0.0
58546,CO-ADD:0319091,-0.28,c1(cccc(cccc2)c12)C(NCCOc3cc(C)ccc3C(C)C)=O,0.0
58547,CO-ADD:0288473,-0.28,c1(C2CC2)ncc(C)n1C(CCN3)CC3.Cl.Cl,0.0
58548,CO-ADD:0289327,-0.28,c1(C(=O)NCc(ccc2F)cc2)nn(c(CCN3)c1C3)C.Cl,0.0
58549,CO-ADD:0288433,-0.28,c1(C(CCN2)C2)n(CCC)c(cn1)C.Cl.Cl,0.0
58550,CO-ADD:0330052,-0.28,n1c(cccc2)c2c(c(CCC(O)=O)c1O)C,0.0
58551,CO-ADD:0288965,-0.28,C1(Oc(cccc2)c2C(=NCC3)N34)=C4C=NN(C)C1=O,0.0
58552,CO-ADD:0329860,-0.28,C1(C(NCCc(c2c([nH]3)ccc(OC)c2)c3C)=O)=Cc4c(OC1=O)ccc(OC)c4,0.0
58553,CO-ADD:0329813,-0.28,N12C(SCC1(O)c(cc3)ccc3[N+](=O)[O-])=NC(=O)C(C)=N2,0.0
58554,CO-ADD:0329829,-0.28,c1(NC(=O)CC(c2ccccc2)NC(=O)C(F)(F)F)nnc(CC(OCC)=O)s1,0.0
58555,CO-ADD:0328058,-0.28,C(/N1)(=C/C(=O)c2c(C)cc(cc2C)C)\C(\Nc(cccc3)c13)=C/C(=O)c4c(C)cc(cc4C)C,0.0
58556,CO-ADD:0329323,-0.28,[N+]1(=NO\C(=N\C(=O)Nc2ccccc2)\[C-]1[H])C34CC5CC(CC(C5)C3)C4,0.0
58557,CO-ADD:0329755,-0.28,C1(C(F)(F)F)(C(F)(F)F)N=C(C)NC2=C1C(=O)NC(N2c3ccc(cc3)F)=O,0.0
58558,CO-ADD:0286252,-0.29,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5cccc(OC)c5OC)C6=C2CC(C)(C)CC6=O)C#N,0.0
58559,CO-ADD:0287712,-0.29,C(=O)(N1CCC(CC1)C)c2cc(Br)cc(Br)c2,0.0
58560,CO-ADD:0291691,-0.29,c1(NC(c2ccccc2)=O)sc3c(ccc(Br)c3OS(=O)(=O)c(cc4)ccc4[N+](=O)[O-])c1C(OCC)=O,0.0
58561,CO-ADD:0327366,-0.29,C1(CCC(NC1c(cc2OC)cc(c2OC)Br)=O)[N+](=O)[O-],0.0
58562,CO-ADD:0329750,-0.29,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)F)NC3=C1C(=O)NC(N3c4ccc(cc4)OC)=O,0.0
58563,CO-ADD:0329286,-0.29,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OC)OCCOc4ccccc4CC=C)c3)\C1=N,0.0
58564,CO-ADD:0327922,-0.29,n1c(N(CC2)CCO2)nc(nc1N3CCCCC3)N=[N+]=[N-],0.0
58565,CO-ADD:0328660,-0.29,S(=O)(=O)(c(cc1)ccc1C(NCCc(c2c([nH]3)cccc2)c3C)=O)N(CC4)CCO4,0.0
58566,CO-ADD:0285661,-0.29,C1(=N2)N(c3c(cccc3)N1CCN4CCCCC4)\C(\C2=O)=C/c(ccc5[N+](=O)[O-])o5,0.0
58567,CO-ADD:0329184,-0.29,c1(C(OCC)=O)c(CSc2ccccn2)oc(ccc(O)c3CN(C)C)c13.Cl,0.0
58568,CO-ADD:0327979,-0.29,n12c(cc(c3ccccc3)c1)cc(c(C#N)c2N(CC4)CCO4)C,0.0
58569,CO-ADD:0326721,-0.29,C(=N\c(cc1)ccc1OC)(/SC=C2c3ccc(cc3)C)\N2N(CC4)CCN4C,0.0
58570,CO-ADD:0328877,-0.29,c12c(ccc(C(=O)Nc3ccccc3OCCCC)c1[N+](=O)[O-])C(=O)c(c4C2=O)cccc4,0.0
58571,CO-ADD:0328894,-0.29,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)Nc2cccc(C)c2C)Cl)c1,0.0
58572,CO-ADD:0327428,-0.29,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5ccccc5OCC)cccc4,0.0
58573,CO-ADD:0327718,-0.29,N1(c2ccccc2OC)C(=S)NN=C1c3ccc(c4n3)cccc4,0.0
58574,CO-ADD:0289121,-0.29,c(C(=O)Nc1ccccc1F)(nnc2C(OCC)=O)s2,0.0
58575,CO-ADD:0328681,-0.29,S(NCCC(CC1CC2CC3C1)(C2)C3)(=O)(=O)c(cccc4C(=O)Nc5ccccc5)c4,0.0
58576,CO-ADD:0328721,-0.29,N1(CCC2)N2C1c(cc3)ccn3,0.0
58577,CO-ADD:0328363,-0.29,C(=C/C(=O)C(C)(C)C)(/N1)\C(=C\C(=O)C(C)(C)C)\Nc(ccc2C(O)=O)c1c2,0.0
58578,CO-ADD:0320009,-0.29,c1(C(=O)Nc(ccc(c2Cl)Cl)c2)c(Cl)c(Cl)c(nc1Cl)Cl,0.0
58579,CO-ADD:0286942,-0.29,N1(\N=C(/C)\c2ccc(cc2)OC)C(=O)c3c(NC1c4ccccc4Cl)cccc3,0.0
58580,CO-ADD:0319994,-0.29,c1(C#N)c(C)c(Cl)c(nc1SCC(=O)Nc(ccc(c23)cccc2)c3)C,0.0
58581,CO-ADD:0283054,-0.29,c1(c(OCCOCCOCCOc2ccc(cc2P(c3ccccc3)(c4ccccc4)=O)[N+](=O)[O-])ccc(c1)[N+](=O)[O-])P(c5ccccc5)(c6ccccc6)=O,0.0
58582,CO-ADD:0283047,-0.29,C(c1cccc(OC)c1)(NC(CCl)=O)NC(CCl)=O,0.0
58583,CO-ADD:0319195,-0.29,c1(NC(=O)c2ccc(cc2)C)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
58584,CO-ADD:0283717,-0.29,c1(O)c(OC)cc(cc1Cl)C=O,0.0
58585,CO-ADD:0324243,-0.3,c1(c(OC)cc(c2c1)cccc2)C(=O)NCC(CC(CC3C4)CC45)(C5)C3,0.0
58586,CO-ADD:0284144,-0.3,N1(CC=C)C(=S)NN=C1c2cccc(Cl)c2,0.0
58587,CO-ADD:0324592,-0.3,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c3c1C(OC)=O)CCC3,0.0
58588,CO-ADD:0324537,-0.3,c12c(nnc(SCC(=O)Nc3cccc(Br)c3)n1)c4c(cccc4)n2CC(O)=O,0.0
58589,CO-ADD:0324561,-0.3,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)NCCC(CC3CC4CC5C3)(C5)C4,0.0
58590,CO-ADD:0324106,-0.3,N(c1ncccn1)C(=O)C(C)(C)Oc(cc2)ccc2Cl,0.0
58591,CO-ADD:0324138,-0.3,S(=O)(=O)(N1CCCCCC1)c2ccc(cc2OC)C,0.0
58592,CO-ADD:0324874,-0.3,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c3ccccc3OCCOc(cc4)ccc4Br)\C2=N,0.0
58593,CO-ADD:0259022,-0.3,c(cc1)ccc1N(N=NN2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
58594,CO-ADD:0324572,-0.3,[N+](=O)([O-])c(cccc1\C=C(\C(NCCc(c2c([nH]3)cccc2)c3C)=O)/NC(=O)c4ccc(cc4)OCCCC)c1,0.0
58595,CO-ADD:0259038,-0.3,n1c(Cl)ncc(F)c1NCC,0.0
58596,CO-ADD:0258422,-0.3,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)N1)=C\c3ccccc3Cl,0.0
58597,CO-ADD:0324421,-0.3,N1(c2ccc(cc2)OC(F)(F)F)C(=O)\C(\SC1=N)=C\c(ccc3c(cccc4C(O)=O)c4)o3,0.0
58598,CO-ADD:0258061,-0.3,S(=O)(=O)(CCc(n1)oc(n1)c2ccccc2)c3ccc(cc3)C,0.0
58599,CO-ADD:0278637,-0.3,s1c(nnc1C23CC(CC4C2)CC(C4)C3)NC(=O)c5ccccc5Cl,0.0
58600,CO-ADD:0259352,-0.3,C12(SCC(=O)N1c3cccc(Br)c3)c4c(NC2=O)cccc4,0.0
58601,CO-ADD:0289052,-0.3,c(C(=O)Nc(cc1)ccc1Cl)(nnc2C(OCC)=O)s2,0.0
58602,CO-ADD:0290369,-0.3,c1(NC(=O)c2ccoc2C)sc3c(CCC(C(C)(C)C)C3)c1C(OC)=O,0.0
58603,CO-ADD:0288662,-0.3,C(=O)(OC(C)(C)C)N(CCCC1c(n(c2C)CC3CC3)nc2)C1,0.0
58604,CO-ADD:0289239,-0.3,N(CCO1)(CC1)Cc(cc2)ccc2CC(CC3)CCN3.Cl.Cl,0.0
58605,CO-ADD:0319603,-0.3,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2C(OCC)=O)nnc1c3cccs3,0.0
58606,CO-ADD:0288459,-0.3,c1(C2CCCCN2)n(CCOC)c(cn1)C.Cl.Cl,0.0
58607,CO-ADD:0329861,-0.3,C1(C(=O)Nc(cc2)ccc2CC(O)=O)=Cc3c(OC1=O)ccc(OC)c3,0.0
58608,CO-ADD:0288734,-0.3,c(n1Cc2sc(nn2)C(Nc3cccc(OC)c3)=O)nc([N+](=O)[O-])c1,0.0
58609,CO-ADD:0288926,-0.3,n12c(cc(C)n1)c3c(Oc(cc4[N+](=O)[O-])c2nc4)ccc(C)c3,0.0
58610,CO-ADD:0326220,-0.3,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3Cl)\NC(=O)c4ccc(cc4)OC)c1C,0.0
58611,CO-ADD:0328889,-0.3,C(Cc(ccc(c1OCC)OCC)c1)(=O)Nc2ccc(cc2Cl)OC,0.0
58612,CO-ADD:0289131,-0.3,N1(C(C)(C)C)CC(CC1=O)C(O)=O,0.0
58613,CO-ADD:0327947,-0.3,c1(OCC)cc(CCC(O)=O)ccc1OCC,0.0
58614,CO-ADD:0329355,-0.3,N1(c2ccccc2C)C(=S)NN=C1Cc(cc3)ccc3Cl,0.0
58615,CO-ADD:0290898,-0.3,c1(non2)c2nc(Nc(cc3)ccc3C)c(N\N=C(\c4c(N5)cccc4)/C5=O)n1,0.0
58616,CO-ADD:0290859,-0.3,C(C(OCC)=O)(C(=O)\C(\N1)=C/c(cc2)ccc2Br)=C1C,0.0
58617,CO-ADD:0290915,-0.3,n1(C2CCCCC2)nnnc1SCc(cc3)ccc3C(O)=O,0.0
58618,CO-ADD:0285751,-0.3,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
58619,CO-ADD:0286237,-0.3,N(C(N)=CC(N1)=O)=C1SCC(=O)Nc(cccc2C(F)(F)F)c2,0.0
58620,CO-ADD:0291403,-0.3,C(C#N)(C(CC(N1)=O)c2cccc(F)c2)=C1SCC(N)=O,0.0
58621,CO-ADD:0287441,-0.3,c1(NC(=O)c2c(cccc2[N+](=O)[O-])C(O)=O)sc(c3c1C#N)CCCC3,0.0
58622,CO-ADD:0286760,-0.3,n12c(S\C(=C/c3ccc(cc3OC)OC)\C1=O)nnc2c4ccccc4Cl,0.0
58623,CO-ADD:0286616,-0.3,c1(C2c3ccc(cc3)Cl)c(CCN2C(=O)c4ccc(c(Cl)c4)Cl)c5c(cccc5)[nH]1,0.0
58624,CO-ADD:0329903,-0.3,c(c(F)c1)ccc1NS(=O)(=O)c2cccc(c2n3)ns3,0.0
58625,CO-ADD:0299928,-0.3,C(=C(C)NC(=C1C#N)SCC(=O)Nc(ccc(c2C)C)c2)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
58626,CO-ADD:0286953,-0.3,N(c1ccc(cc1)OC)(Cc(c2c3)ccc3C(=O)N\N=C/c(ccc(c4OC)O)c4)C2,0.0
58627,CO-ADD:0329967,-0.31,[N+](=O)([O-])c1ccc(cc1C)OCC(=O)Nc(cc2)ccc2CC#N,0.0
58628,CO-ADD:0285693,-0.31,N(C(=O)CSc1ccccc1)(c2c3cccc2)c4c(S3)cccc4,0.0
58629,CO-ADD:0327530,-0.31,N(CC1)(CCN1CCC(=O)Nc(cc2)ccc2OC(F)(F)F)C(OCC)=O,0.0
58630,CO-ADD:0326360,-0.31,N(\C(=C/c1cc(ccc(c2)C)c2nc1N3CCCCC3)\C(O4)=O)=C4c5ccccc5,0.0
58631,CO-ADD:0284951,-0.31,S1(=O)(=O)c(cccc2)c2C(N(C)CC(COc3ccccc3)OC(=O)c4ccc(cc4)Cl)=N1,0.0
58632,CO-ADD:0327308,-0.31,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)NCc3cccc(C)c3,0.0
58633,CO-ADD:0327542,-0.31,[N+](=O)([O-])c(cc(Oc(cc1)ccc1OC)c(c23)C=Cc(cccc4)c4O2)c3,0.0
58634,CO-ADD:0327270,-0.31,N(\C(=C/c1cc(cccc2C)c2nc1N3CCCCC3)\C(O4)=O)=C4c5ccccc5,0.0
58635,CO-ADD:0328695,-0.31,c(CN(c1ccc(cc1)F)C(CCCC(O)=O)=O)(c(C)[nH]c2C(OCC)=O)c2C,0.0
58636,CO-ADD:0328520,-0.31,S(=O)(=O)(CC(=O)Nc(cc(OCC(F)(F)F)cc1[N+](=O)[O-])c1)c2ccc(cc2Cl)C(F)(F)F,0.0
58637,CO-ADD:0291920,-0.31,N1(C2c3ccc(cc3)C)C(S\C(=C/c(ccc4c5ccccc5[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
58638,CO-ADD:0291143,-0.31,C1(SCC(C(O)=O)N1)c2sccc2C,0.0
58639,CO-ADD:0291074,-0.31,C12(O)C(=Cc(ccc(O)c3)c3O1)C(NC(=O)N2)=O,0.0
58640,CO-ADD:0319354,-0.31,n1(c2ccccc2)c(COc(cc3)ccc3C(C)(C)C)nnc1SCc(nc(N)nc4Nc5ccccc5)n4,0.0
58641,CO-ADD:0319378,-0.31,c(c(O)[nH]n1)c1c2ccc(cc2)CC(C)C,0.0
58642,CO-ADD:0288748,-0.31,c1(n(c(nc1)CCNC(c(c2)oc([N+](=O)[O-])c2)=O)C3CCC3)C,0.0
58643,CO-ADD:0288780,-0.31,C12(CCN(CC1)C(c(c3)oc([N+](=O)[O-])c3)=O)CC(CCO2)NS(=O)(=O)c4ccccc4,0.0
58644,CO-ADD:0288596,-0.31,C(N(CCC1)CC1n2c(C)cnc2c(ccc3)cc3)(=O)OC(C)(C)C,0.0
58645,CO-ADD:0257283,-0.31,C(C(OC)=O)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
58646,CO-ADD:0323966,-0.31,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4ccc(cc4)OCC,0.0
58647,CO-ADD:0257307,-0.31,n1c(S)ncc(c2ccc(cc2)OCC)c1N,0.0
58648,CO-ADD:0257603,-0.31,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(ccc(c45)OCO4)c5)\C1=O)=NC(C)=C2C(C)=O,0.0
58649,CO-ADD:0258107,-0.31,C(=N\C1CCCCC1)(/SC(C2=O)CC(=O)Nc3ccccc3C)\N2,0.0
58650,CO-ADD:0257313,-0.31,C(=O)(N(CC1)CCN1C)c2ccccc2NC(c3ccccc3)=O,0.0
58651,CO-ADD:0324827,-0.31,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)ccc3OCc4ccccc4)\C2=N,0.0
58652,CO-ADD:0258391,-0.31,N1(c2ccc(cc2)CC)C(=O)C(C(C1=O)C34C=O)C(c(c35)cccc5)c(c46)cccc6,0.0
58653,CO-ADD:0259554,-0.31,N1(C(C(C2)CC2)=O)c3c([C@]([H])(CN(C)CC4)[C@@]14[H])cc(C)cc3.Cl,0.0
58654,CO-ADD:0288710,-0.31,C(C)Cn1c(cnc1C2CNC2)C.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
58655,CO-ADD:0289095,-0.31,N1(C)CCC(CC(O)=O)C1,0.0
58656,CO-ADD:0288855,-0.31,C(Cn1c(C)nc([N+](=O)[O-])c1)(NCC#C)=O,0.0
58657,CO-ADD:0319084,-0.31,c1(ccc(c(OC)c1OC)OC)C(=O)Nc(cc2)ccc2c(cc3)ccc3[N+](=O)[O-],0.0
58658,CO-ADD:0288848,-0.31,C(C(NCC#C)=O)NC(=O)OC(C)(C)C,0.0
58659,CO-ADD:0328386,-0.31,N1(C(=O)COc2cccc(cccn3)c23)c4c(cccc4)CCc(cccc5)c15,0.0
58660,CO-ADD:0328402,-0.31,C1(CCC1)(N)c2cccc(Cl)c2.Cl,0.0
58661,CO-ADD:0299890,-0.31,N1(C(=O)c2c(C(c3ccccc3)=N1)cccc2)c4cc(C#N)c(cc4[N+](=O)[O-])C#N,0.0
58662,CO-ADD:0326007,-0.31,n1(c2ccccc2)c(CSCc3ccccc3Cl)nnc1S,0.0
58663,CO-ADD:0329324,-0.31,[N+]1(c2ccc(cc2)Cl)=NOC(=N)[C-]1[H].Cl,0.0
58664,CO-ADD:0329356,-0.31,N1(c2ccccc2OC)C(=O)\C(\SC1=N)=C/c(ccc(c3OC)O)c3,0.0
58665,CO-ADD:0329380,-0.32,c1(C(O)=O)cc(OC)c(cc1NC(CCc2ccccc2)=O)OC,0.0
58666,CO-ADD:0329403,-0.32,S(=O)(=O)(c1ccc(cc1)Br)N2\C(\SCC2)=N\S(=O)(=O)c3ccc(cc3)Br,0.0
58667,CO-ADD:0326009,-0.32,n(c(cc1)c(c2c3c(C4=O)cccc3)c4c1)(CC(=O)N(CC5)CCO5)n2,0.0
58668,CO-ADD:0332537,-0.32,c1(cc(ccc1N(CC2)CCN2C(=O)c3cc(Br)ccc3Cl)[N+](=O)[O-])C(F)(F)F,0.0
58669,CO-ADD:0332355,-0.32,C(/C#N)(=C/c(ccc1c2ccc(cc2)Cl)o1)\C(=O)Nc(cc3)ccc3SC#N,0.0
58670,CO-ADD:0331962,-0.32,C12(CC(CC3C1)CC(C3)C2)C4c5c(c(cccc6)c46)cccc5,0.0
58671,CO-ADD:0331170,-0.32,n1(Cc2ccccc2C)c3c(nc1COc4cccc(cccc5)c45)cccc3,0.0
58672,CO-ADD:0331178,-0.32,c1(c2ccccc2)n(CCOc3ccccc3)c4c(cccc4)n1,0.0
58673,CO-ADD:0332403,-0.32,C(NNc1cccc(Cl)c1)(C(F)(F)F)(C(F)(F)F)NC(=O)c2ccccc2C,0.0
58674,CO-ADD:0332010,-0.32,n1(nnc(C(OCC)=O)c1CNc(cc2)ccc2NC(C)=O)c3nonc3N,0.0
58675,CO-ADD:0332034,-0.32,C12(OC(C(C(N3c4ccccc4OC)=O)C1C3=O)c5cccc(C)c5)C(=O)c(c6C2=O)cccc6,0.0
58676,CO-ADD:0332346,-0.32,C(/Sc(c12)cc(cc1c(cccc3C(F)(F)F)c3)O)(\O2)=C(\C#N)/C(N)=O,0.0
58677,CO-ADD:0332323,-0.32,C1(OC(=O)Cc2cccs2)(C(F)(F)F)Oc(ccc(c3)C)c3NC1=O,0.0
58678,CO-ADD:0331779,-0.32,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OCC)c4)O,0.0
58679,CO-ADD:0331578,-0.32,C(C(=O)N1CCCC1)(C2=O)=C(c3c(cccc3)CC4(CC)CC)N4C2=O,0.0
58680,CO-ADD:0332543,-0.32,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c4ccccc4C,0.0
58681,CO-ADD:0331272,-0.32,N1=C(N(CC)CC)NC(N=C1N(CC)CC)=O,0.0
58682,CO-ADD:0331505,-0.32,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)Cl)C(=O)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
58683,CO-ADD:0331609,-0.32,c12n(cc(c3ccccc3)n1CC(O)c4ccccc4)c(c(c5ccccc5)n2)c6ccccc6,0.0
58684,CO-ADD:0332260,-0.32,N(\C(=C/c(ccc(c1OCC)OCC)c1)\C(O2)=O)=C2c3ccc(cc3)Cl,0.0
58685,CO-ADD:0332324,-0.32,c1(NC2c3ccc(cc3)OC)n(c4c(cccc4)n1)C(=C2C(=O)Nc5ccccc5)C,0.0
58686,CO-ADD:0331431,-0.32,S(=O)(=O)(CC(C12)CC(N1CCN(CC3)CCO3)=O)C2,0.0
58687,CO-ADD:0331367,-0.32,C(=O)(c(cc1)ccc1C(C)(C)C)NC(c2ccc(cc2)OC)CC(O)=O,0.0
58688,CO-ADD:0332575,-0.32,[N+](=O)([O-])c1ccc(cc1NC(C)C23CC(CC4C2)CC(C4)C3)N(CC5)CCN5C(=O)c6ccco6,0.0
58689,CO-ADD:0332148,-0.32,c1(NC(=O)c2ccc(cc2)OC)oc(c(c3ccccc3)c1C#N)c4ccccc4,0.0
58690,CO-ADD:0330898,-0.32,n(nnn1)(C2c3cccc(F)c3)c1NC(C(OC)=O)=C2C(c4ccccc4)=O,0.0
58691,CO-ADD:0331091,-0.32,c1(COc2ccccc2)n(CCOc3ccccc3)c4c(cccc4)n1,0.0
58692,CO-ADD:0332357,-0.32,c(ccc1c2ccc(cc2Cl)Cl)(C(=S)N(CC3)CCN3c4ccc(cc4)Cl)o1,0.0
58693,CO-ADD:0331531,-0.32,n12c(ccc(NCn3c4c(nn3)cccc4)n1)nnc2C(F)(F)F,0.0
58694,CO-ADD:0328107,-0.32,C1(=Cc2c(OC1=O)cccc2)C(=O)NC(c3ccc(cc3)C)CC(OCC)=O,0.0
58695,CO-ADD:0326871,-0.32,N1(CCCCC1c(cccn2)c2)CC#CCOC(C)=O.Cl,0.0
58696,CO-ADD:0326164,-0.32,c1(c2c(cs1)CCCC2)C(=O)N(CC3)CCN3c4ccccc4O,0.0
58697,CO-ADD:0327712,-0.32,S(=O)(=O)(c1ccc(cc1)C)N2Cc3c(CC2C(=O)Nc4ccc(cc4C)C)cccc3,0.0
58698,CO-ADD:0330847,-0.32,c1(Oc(cccc2NC(=O)c3ccccc3Cl)c2)nc(C)cc(C)c1C#N,0.0
58699,CO-ADD:0330951,-0.32,c(C(=O)c1ccc(cc1)Br)(sc(c23)nc(c(Cl)c2C)C)c3N,0.0
58700,CO-ADD:0332478,-0.32,N1\C(=N/N=C(\C)/c2ccc(C)o2)\SC(CC(O)=O)C1=O,0.0
58701,CO-ADD:0332518,-0.32,C1(NC(C)=O)=C(NCCOc2ccccc2)C(c(cccc3)c3C1=O)=O,0.0
58702,CO-ADD:0332406,-0.32,C1(C(OC)=O)(C(F)(F)F)N=C(c2ccccc2)N3C(C=C(C=C3)C)=N1,0.0
58703,CO-ADD:0332023,-0.33,C(CC1)(CCN1C(=O)c(ccc(c23)OCO2)c3)(C(N)=O)N4CCCCC4,0.0
58704,CO-ADD:0332200,-0.33,S(OCCC1C(=O)c2c(cccc2)C1=O)(=O)(=O)c3cc(CC)ccc3CC,0.0
58705,CO-ADD:0332244,-0.33,c1(SCC(=O)NC2CCCCC2)sc(c3n1)ccc(Cl)c3,0.0
58706,CO-ADD:0327224,-0.33,N1C(=O)\C(\SC1=S)=C/c2cc3c(nc2N4CCCCC4)ccc(C)c3,0.0
58707,CO-ADD:0328546,-0.33,n1(n2)c(nc(cc1C(F)(F)Cl)c3ccco3)cc2C(=O)N4CCCc(cccc5)c45,0.0
58708,CO-ADD:0330077,-0.33,n1(C(C(C)C)=O)c(c2ccccc2)c(c(N)n1)C(OCC)=O,0.0
58709,CO-ADD:0326102,-0.33,N1(C(=O)CSC1=S)c2ccc(c(Cl)c2)Cl,0.0
58710,CO-ADD:0328229,-0.33,S(c1ccccc1)(=O)(=O)c2c(O)c(C)cc(NS(=O)(=O)c(cccc3[N+](=O)[O-])c3)c2C(C)C,0.0
58711,CO-ADD:0328215,-0.33,S(c1ccccc1)(=O)(=O)c2c(O)c(C)cc(NS(=O)(=O)c3ccc(cc3)Cl)c2C,0.0
58712,CO-ADD:0331010,-0.33,c1(C(=O)Nc(cc2)ccc2S(=O)(=O)N3CCCC3)c(Cl)c(c4s1)ccc(OC)c4,0.0
58713,CO-ADD:0331739,-0.33,C(C(OCCOC)=O)(C1c2ccc(cc2)O)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
58714,CO-ADD:0331045,-0.33,C(C(=O)N1CCCCC1)(C2=O)=C(c3c(cccc3)CC4(CC)CC)N4C2=O,0.0
58715,CO-ADD:0331092,-0.33,n1(CCc2ccccc2)c3c(nc1COc4cccc(cccc5)c45)cccc3,0.0
58716,CO-ADD:0332007,-0.33,N(C(=O)C=C(N1)N)=C1SCC(N)=O,0.0
58717,CO-ADD:0330834,-0.33,c(c(C)nc(c1C(NCC=C)=O)Cl)(c1C)[N+](=O)[O-],0.0
58718,CO-ADD:0331419,-0.33,n1c(c2ccc(cc2)F)nnn1CC(=O)N\N=C/c(ccc(c3OCC)OCC)c3,0.0
58719,CO-ADD:0327784,-0.33,S(=O)(=O)(c1ccc(cc1)Cl)c2c(O)c(C)cc(NC(c3ccccc3)=O)c2C,0.0
58720,CO-ADD:0327690,-0.33,c1(cnc(C)n1CC(NCCc(ccc(c2OCC)OCC)c2)=O)[N+](=O)[O-],0.0
58721,CO-ADD:0329692,-0.33,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(CC1=O)NCCCN(CC3)CCN3CC,0.0
58722,CO-ADD:0329500,-0.33,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2C(=O)c3ccc(cc3)Br,0.0
58723,CO-ADD:0326594,-0.33,n12c(CCCCC1)nnc2SCC(=O)Nc3c(cccc3Cl)Cl,0.0
58724,CO-ADD:0331604,-0.33,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3Cc4ccccc4)C,0.0
58725,CO-ADD:0331628,-0.33,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5c(OC)cc(c(C)c5)C,0.0
58726,CO-ADD:0331501,-0.33,C1(C(F)(F)F)(NC(=O)c2cccs2)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
58727,CO-ADD:0331504,-0.33,C1(C(F)(F)F)(NC(=O)c2ccccc2Cl)C(=O)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
58728,CO-ADD:0332630,-0.33,C1(C(=O)OC(C)CC)=C(C)NC(NC1c2ccc(c(Br)c2)F)=O,0.0
58729,CO-ADD:0326759,-0.33,c1(cn(n2)c(cccc3[N+](=O)[O-])c3)c2C(NN=C1c4ccco4)=O,0.0
58730,CO-ADD:0328103,-0.33,C(NCCc(ccc(c1OCC)OCC)c1)(=O)N(CC2)CCO2,0.0
58731,CO-ADD:0331799,-0.33,C(F)(F)(C(F)(F)F)C(F)(F)Sc(cc1)ccc1NC(=O)NC(=O)c2c(cccc2F)F,0.0
58732,CO-ADD:0331787,-0.33,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c(cc3OC)cc(c3O)Br,0.0
58733,CO-ADD:0332245,-0.33,s1c(SCC(=O)Nc2ncccn2)nnc1SCC(=O)Nc3ncccn3,0.0
58734,CO-ADD:0331382,-0.33,N12C(c3c(cccc3)CC14CCCC4)=C(C(=O)C2=O)C#N,0.0
58735,CO-ADD:0331871,-0.33,n1(nnc(C(OCC)=O)c1CNC2=C(C)N(N(c3ccccc3)C2=O)C)c4nonc4N,0.0
58736,CO-ADD:0330947,-0.33,[N+](=O)([O-])c1ccc(cc1)NC(CSc2nc(C)cc(C)c2C#N)=O,0.0
58737,CO-ADD:0331151,-0.33,n1(C(CCC(O)=O)=O)c2c(nc1CC)cccc2,0.0
58738,CO-ADD:0332092,-0.33,S(=O)(=O)(c(cc1)ccc1C2CCCCC2)N(CC3)CCN3c4ccc(c(Cl)c4)Cl,0.0
58739,CO-ADD:0331639,-0.33,S(NCCOC(CC1CC2CC3C1)(C2)C3)(=O)(=O)c(cc4)ccc4C(C)(C)C,0.0
58740,CO-ADD:0331890,-0.33,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3cc(C)c(cc3Cl)Cl,0.0
58741,CO-ADD:0332491,-0.34,C1(c2cc(Cl)ccc2OC)=NNC(=S)N1C,0.0
58742,CO-ADD:0332499,-0.34,[N+](=O)([O-])c1c(ccc(C(N)=O)c1)OCC(F)(F)F,0.0
58743,CO-ADD:0331903,-0.34,S(=O)(=O)(c1ccc(cc1)OCCC)N(CC2)CCN2c3ccc(c(Cl)c3)Cl,0.0
58744,CO-ADD:0332391,-0.34,C1(C(OC)=O)(C(F)(F)F)N=C(c2ccc(cc2Cl)Cl)OC(N(CC3)CCO3)=N1,0.0
58745,CO-ADD:0332016,-0.34,c1(C2c3cc(OC)c(cc3OC)OC)c([nH]nc1c(cccn4)c4)OC(N)=C2C#N,0.0
58746,CO-ADD:0332040,-0.34,c12c(ccc(cccc3)c13)NC(CC2=O)c(cc4)cc(c4OC(CC)=O)OC,0.0
58747,CO-ADD:0331329,-0.34,C1(C(F)(F)F)(NC(=O)c2cccc(OC)c2)C(=O)N(C(=O)N1)Cc3ccco3,0.0
58748,CO-ADD:0331441,-0.34,c12c(CC(C)(C)CC1=O)noc2c3ccccc3,0.0
58749,CO-ADD:0332066,-0.34,C1(=Cc2c(OC1=O)cccc2)C(=O)N(CC3)CCN3c4cc(C)ccc4C,0.0
58750,CO-ADD:0331741,-0.34,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(O)c4,0.0
58751,CO-ADD:0331014,-0.34,C(C(F)(F)F)(NC(c1ccccc1)=O)(C2=O)NC(N2C(CC)C34CC(CC5C3)CC(C5)C4)=O,0.0
58752,CO-ADD:0331070,-0.34,n1(Cc2cccc(C)c2)c3c(nc1COc4ccc(cc4Cl)Cl)cccc3,0.0
58753,CO-ADD:0330774,-0.34,C(Cl)(C1=O)=C(N2CCCC2)C(C(Cl)=C1N3CCCC3)=O,0.0
58754,CO-ADD:0332237,-0.34,C1(C(OCCC)=O)=C(C)NC(NC1c2ccccc2Br)=O,0.0
58755,CO-ADD:0332337,-0.34,c1(nc(c2cccc(OC)c2)cc3C(F)(F)F)n3ncc1C(=O)NCC(CC(CC4C5)CC56)(C6)C4,0.0
58756,CO-ADD:0331777,-0.34,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cccc4[N+](=O)[O-])c4,0.0
58757,CO-ADD:0332601,-0.34,N1(CC(=O)Nc(cccc2[N+](=O)[O-])c2)N=Cc(c3C1=O)cccc3,0.0
58758,CO-ADD:0331138,-0.34,n(c(cccc1)c1n2CCOc3ccccc3)c2,0.0
58759,CO-ADD:0331107,-0.34,N12[C@@]([H])(CSC1c3ccc(cc3)OC)C(N(c(cc4)ccc4C(OCC)=O)C2=S)=O,0.0
58760,CO-ADD:0331582,-0.34,C(=O)(c1ccccc1C(O)=O)N(C)C(CC2(C)C)CC(N2)(C)C,0.0
58761,CO-ADD:0331111,-0.34,S(=O)(=O)(c1ccc(cc1)Cl)N(Cc2ccccc2F)CC(=O)NCc3ccco3,0.0
58762,CO-ADD:0331935,-0.34,C(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
58763,CO-ADD:0332158,-0.34,N1=C(N)SC(CC1=O)C(=O)Nc2c(C)ccc(Cl)c2,0.0
58764,CO-ADD:0331813,-0.34,c1(N(CC2)CCN2c3ccc(cc3)OC)nc(OCC)nc(OCC)n1,0.0
58765,CO-ADD:0332266,-0.34,N1(c2ccc(cc2)F)C(=O)c3c(c(cccc4)c4C1=O)cccc3,0.0
58766,CO-ADD:0332170,-0.34,C(=O)(NC(C)(CC)C#C)Cc1cccs1,0.0
58767,CO-ADD:0331818,-0.34,c1(ccc(c(Cl)c1)Cl)C(c2ccccc2)=O,0.0
58768,CO-ADD:0331834,-0.34,C(C#N)(C1=O)=C(c2ccc(cc2)OC)N=C(SCC(=O)Nc(cc3)ccc3Cl)N1,0.0
58769,CO-ADD:0331850,-0.34,C(=O)(N(CC1)CCN1Cc2ccccc2)c(c3)cc(cn3)Br.Cl,0.0
58770,CO-ADD:0332488,-0.34,N1(CCc2ccccc2)C(=O)\C(\SC1=S)=C/c3ccccc3OCc4ccccc4Cl,0.0
58771,CO-ADD:0331357,-0.34,N1(c(c(cc(c2)OC)C(=C34)C(SS3)=S)c2C(=O)C1=O)C4(C)C,0.0
58772,CO-ADD:0330885,-0.34,c1(C(=O)Nc2cccc(Cl)c2)scc(OCCO3)c13,0.0
58773,CO-ADD:0331294,-0.34,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(C)c4)C,0.0
58774,CO-ADD:0331454,-0.34,C1(CC(OC1c2ccccc2)=O)C(=O)Nc3cc(on3)C,0.0
58775,CO-ADD:0331470,-0.34,C1(CC2CC(CC3(C2)O)C1)(C3)n(c4)nc(n4)Cl,0.0
58776,CO-ADD:0331546,-0.34,n12c(nc(cc1C(F)(F)F)c3ccc(c(OC)c3)OC)cc(C(=O)NCC(CC(CC4C5)CC56)(C6)C4)n2,0.0
58777,CO-ADD:0332425,-0.34,C(C(OC)=O)(NNc1ccccc1)(C(F)(F)F)NC(=O)c2cccc(F)c2,0.0
58778,CO-ADD:0332062,-0.34,C1(C(=O)NC(c(cccc2[N+](=O)[O-])c2)CC(OCC)=O)=Cc(c3)c(OC1=O)c(cc3[N+](=O)[O-])OC,0.0
58779,CO-ADD:0332103,-0.34,S(=O)(=O)(c1ccc(c(OC)c1)OC)N2CCC(CC2)C(N)=O,0.0
58780,CO-ADD:0331055,-0.34,n1(c2c(cccc2)CN3)c(ccc1)C3c4ccc(cc4)F.Cl,0.0
58781,CO-ADD:0332143,-0.34,C(C(OC)=O)(=CN(CC(CC1CC2CC3C1)(C2)C3)C=C4C(OC)=O)C4c5ccc(c(OC)c5)OC,0.0
58782,CO-ADD:0330894,-0.34,c1(nc(c2ccco2)cc3C(F)(F)F)n3ncc1C(NCCc(c4c([nH]5)ccc(OC)c4)c5C)=O,0.0
58783,CO-ADD:0332626,-0.34,c12c(cc(C)c(C)c1)NC(CC2c3ccccc3OCCCC)=O,0.0
58784,CO-ADD:0332517,-0.34,c1(c(Cl)ccc(c1)S(CC)(=O)=O)[N+](=O)[O-],0.0
58785,CO-ADD:0331687,-0.34,S(=O)(=O)(c1ccc(cc1)NC(C)=O)NC(c(cccc2[N+](=O)[O-])c2)CC(O)=O,0.0
58786,CO-ADD:0331735,-0.34,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3ccc(c(O)c3)OC,0.0
58787,CO-ADD:0332096,-0.35,C(=O)(c1cccs1)N(CC2)CCN2c3ccc(c(Cl)c3)Cl,0.0
58788,CO-ADD:0331599,-0.35,C(=O)(c1ccc(cc1)Cl)NC(C)(CC)C#C,0.0
58789,CO-ADD:0331536,-0.35,c12c(ccc(cccc3)c13)NC(CC2c(cc4)ccc4c(cc5)ccc5C6CC(=O)Nc(ccc(cccc7)c78)c68)=O,0.0
58790,CO-ADD:0331600,-0.35,C(C(OC)=O)(=CN(CC(C1)(CC(CC12)CC3C2)C3)C=C4C(OC)=O)C4c5cccc(OC)c5OC,0.0
58791,CO-ADD:0332549,-0.35,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c4cccc(F)c4,0.0
58792,CO-ADD:0332573,-0.35,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4cccs4,0.0
58793,CO-ADD:0331853,-0.35,C1(=O)Nc(c2N1)ccc(c2)\N=C\c(ccc3c4CC(O3)C)c4,0.0
58794,CO-ADD:0332286,-0.35,C(C(OC)=O)(=C1C)\C(=C\c(cc2)ccc2OC)\C(N1CC)=O,0.0
58795,CO-ADD:0330738,-0.35,n1(n2)c(nc(cc1C(F)(F)F)c(ccc(c34)OCO3)c4)cc2C(=O)N(C)c5ccc(cc5)OC(F)(Cl)F,0.0
58796,CO-ADD:0330786,-0.35,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c5ccc(C)o5)O1,0.0
58797,CO-ADD:0330794,-0.35,c1(n2cccc2)nc(N)nc(c3ccccc3)n1,0.0
58798,CO-ADD:0331075,-0.35,c1(COc(cc2)ccc2Cl)n(CCC)c3c(cccc3)n1,0.0
58799,CO-ADD:0331707,-0.35,C1(C(F)(F)F)(C(F)(F)F)N=C(c(cc2)ccn2)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
58800,CO-ADD:0294812,-0.35,S(=O)(=O)(Nc1ccccn1)C2=C(C)NC(NC2=O)=O,0.0
58801,CO-ADD:0292311,-0.35,N1(N=CN2)C2=NC(C)=CC1=O,0.0
58802,CO-ADD:0293192,-0.35,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4)cc(c4OC(=O)N(C)C)OCC)\C1=O,0.0
58803,CO-ADD:0296010,-0.35,N1(C(C#N)c2ccc(c(OC)c2)OC)C(C)(C)CC(C)=N1,0.0
58804,CO-ADD:0295325,-0.35,C(=C/c(ccc1[N+](=O)[O-])s1)(/C(=O)NC(N2CC)=S)\C2=O,0.0
58805,CO-ADD:0292300,-0.35,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)NNC(=O)c3ccc(cc3)OC,0.0
58806,CO-ADD:0295793,-0.35,n(c1c(CCCCC1)cc2C#N)c2SCC(=O)Nc(cc3)ccc3C,0.0
58807,CO-ADD:0293296,-0.35,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c(cc5)ccc5C(C)C,0.0
58808,CO-ADD:0288083,-0.35,c1(c(O)ccc(cc(Br)cc2)c12)C3SCc4c(cc(c(C)c4)C)CS3,0.0
58809,CO-ADD:0286491,-0.35,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCCc(cc3)ccc3Cl,0.0
58810,CO-ADD:0286844,-0.35,c1(nonc1N)\C(\N)=N\OC(CCCOc2ccc(cc2Cl)Cl)=O,0.0
58811,CO-ADD:0286460,-0.35,n1(cnc(cc(C)c(C)c2)c12)S(=O)(=O)c3ccc(cc3)F,0.0
58812,CO-ADD:0289102,-0.35,c(C(OCC)=O)(c1)nnn1C(CN2C(=O)OC(C)(C)C)C2,0.0
58813,CO-ADD:0295191,-0.35,n(c1c([nH]2)cccc1)c2CS,0.0
58814,CO-ADD:0294389,-0.35,[n+]1([n-]c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[n+]1[O-])c3nonc3N,0.0
58815,CO-ADD:0294315,-0.35,[C@]123[C@](c4c(cccc4)C1=O)(OC(C)=C2C(OCCCCC)=O)OC(N)=C3C#N,0.0
58816,CO-ADD:0294050,-0.35,N1(Cc2ccccc2)c(cccc3)c3C(c4ccccc4)(c5ccccc5)C1=O,0.0
58817,CO-ADD:0294403,-0.35,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)Nc(cccc4C(F)(F)F)c4)c1Cl,0.0
58818,CO-ADD:0292488,-0.35,C1(SCC(=O)N1c2ccc(cc2)Br)(c3c(N4CN(CC5)CCN5Cc6ccccc6)cccc3)C4=O,0.0
58819,CO-ADD:0292921,-0.35,C(O)(=O)CCSCCCCCCCCCCCC,0.0
58820,CO-ADD:0295042,-0.35,n1(C(=O)CSc(nnc2NC(=O)c3ccccc3C(=O)N(CC4)CCO4)s2)c5c(c(CCCC6)c16)CCCC5,0.0
58821,CO-ADD:0293532,-0.36,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(O)C(N2CCOC)=O,0.0
58822,CO-ADD:0293817,-0.36,c1(NC(COC(C2CCN3CC2)C3)=O)nonc1N,0.0
58823,CO-ADD:0293312,-0.36,c1(ccco1)\C=C\C=C\C(O)=O,0.0
58824,CO-ADD:0295832,-0.36,N(c1c(C)cccc1C)C(=O)C(C)NC(CCCCC2)=N2.Cl,0.0
58825,CO-ADD:0293351,-0.36,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5OC)cc(c5OC)OC)cccc4,0.0
58826,CO-ADD:0288953,-0.36,C1(=O)c2c(cccc2)Oc(c3)c(ccc3S(N)(=O)=O)N1CC,0.0
58827,CO-ADD:0291727,-0.36,n1(C)cnnc1SCC(=O)Nc2c(C)ccc(Cl)c2,0.0
58828,CO-ADD:0290583,-0.36,C1(O)(OCC(C(=O)C1)(C)C)C(F)(F)F,0.0
58829,CO-ADD:0299650,-0.36,c1(C(OCC)=O)cc([nH]n1)c2ccccc2,0.0
58830,CO-ADD:0286524,-0.36,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)S\C(\NCc3ccccc3)=N/c(cc4)ccc4F,0.0
58831,CO-ADD:0286916,-0.36,C(c1ccccc1)(=O)SCC(=O)Nc(cccc2C(C)=O)c2,0.0
58832,CO-ADD:0286813,-0.36,C(=N/c(cc1)ccc1OCC)(/SC=C2c(cc3)ccc3C4CCCCC4)\N2C.Br,0.0
58833,CO-ADD:0285608,-0.36,c1(ccc(\C=N\n(cnn2)c2)o1)c3cccc(Cl)c3C,0.0
58834,CO-ADD:0287426,-0.36,C(C(O)=O)(=CN(CCCCCCCCCC)c1c2cc(c(F)c1)F)C2=O,0.0
58835,CO-ADD:0285115,-0.36,C(C)(NC(=O)Nc1c(cccc1Cl)Cl)(C(F)(F)F)C(F)(F)F,0.0
58836,CO-ADD:0294794,-0.36,c1(C(=O)c2ccc(c(OC)c2)OC)n(C(C)C)c3c(cccc3)n1,0.0
58837,CO-ADD:0294051,-0.36,c1(nnc(ccc(SC2=NCCS2)n3)n13)C(F)(F)C(F)(F)F,0.0
58838,CO-ADD:0294349,-0.36,S(CCCCCCCC)(=O)(=O)CCSC(N)=N,0.0
58839,CO-ADD:0293255,-0.36,N1(CN(CC2)CCC2C(OCC)=O)c(cccc3)c3\C(=N\c(ccc(c4Br)C)c4)\C1=O,0.0
58840,CO-ADD:0292822,-0.36,[nH]1c(CC)nnc1SCC(=O)Nc2ccccc2,0.0
58841,CO-ADD:0295580,-0.36,c1(Sc2ccc(cc2NC(C)=O)C(F)(F)F)sc(c3n1)cccc3,0.0
58842,CO-ADD:0293062,-0.36,C(C(C)=O)(C1c2ccccc2Cl)=C(O)C(N1CCN(CC3)CCN3)=O,0.0
58843,CO-ADD:0294409,-0.36,c(nc(c1ccc(cc1)Cl)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N4CCCC4,0.0
58844,CO-ADD:0292364,-0.36,c1(SC(c2ccccc2)c3ccccc3)sc4c(ccc(c4)NC(CC)=O)n1,0.0
58845,CO-ADD:0292335,-0.36,O(Cc(cccc1)c1CO2)C2CNc(cc3)ccc3C,0.0
58846,CO-ADD:0295810,-0.36,c1(cc(Br)cnc1NC(C)=O)[N+](=O)[O-],0.0
58847,CO-ADD:0286472,-0.36,s1c(N)nnc1SCC(N)=O,0.0
58848,CO-ADD:0299528,-0.36,C12(N(CC3)CCO3)C(CCCCC1)=Cc(c4O2)cc(cc4Br)Br,0.0
58849,CO-ADD:0299561,-0.36,C(=O)(CN(CC1)CCO1)N\N=C\c2ccccc2O,0.0
58850,CO-ADD:0291806,-0.36,N1(CC(=O)OCc2cccc(c23)OCO3)C(=O)c4c(c5C1=O)c(ccc4)ccc5,0.0
58851,CO-ADD:0299986,-0.36,C1(=O)c2c(cccc2)SC(c(cc3)ccc3[N+](=O)[O-])O1,0.0
58852,CO-ADD:0285377,-0.36,c12c(nnc(SCC(OCC)=O)n1)c3c(cccc3)n2CC=C,0.0
58853,CO-ADD:0291013,-0.36,N12C(NC(=O)c(c3c(CCCCC3)s4)c14)=C(C(c5ccccc5Cl)C6=C2CCCC6=O)C#N,0.0
58854,CO-ADD:0287351,-0.36,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C/c(ccc(c45)OCO4)c5)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
58855,CO-ADD:0291330,-0.36,n1(C(=O)CSc2nnc(Cc3ccccc3)n2c4ccccc4)c5c(c(CCCC6)c16)cccc5,0.0
58856,CO-ADD:0285517,-0.36,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Cl)n1,0.0
58857,CO-ADD:0299176,-0.36,c1(cc2c(cc1NC(=O)c3ccc(cc3)Cl)OCCO2)C(=O)c4ccc(cc4)Br,0.0
58858,CO-ADD:0293652,-0.36,c1(C)c(cccc1NN)Cl.Cl,0.0
58859,CO-ADD:0293644,-0.37,C(=C(C)NC(=C1C#N)SCc2cccc(cccc3)c23)(C(=O)Nc4ccccc4OC)C1c5ccccc5Cl,0.0
58860,CO-ADD:0296165,-0.37,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)O)=C(O)C(N2c(cccn4)c4)=O,0.0
58861,CO-ADD:0294658,-0.37,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CSc3ccccc3,0.0
58862,CO-ADD:0295031,-0.37,S(=O)(=O)(c(cc1)cc(c1N(CC2)CCO2)N)Nc(cc(cc3C(OC)=O)C(OC)=O)c3,0.0
58863,CO-ADD:0295708,-0.37,c1(NC(=O)Nc(cc2)ccc2Cl)sc(c3c1C#N)CCCC3,0.0
58864,CO-ADD:0295915,-0.37,c1(OC(N)=C(C2c3ccccc3OC(=O)N(CC4)CCO4)C#N)c2c(n[nH]1)C,0.0
58865,CO-ADD:0294811,-0.37,c1(Br)c(cccn1)N,0.0
58866,CO-ADD:0295536,-0.37,C1(=O)OC(C(=C)N1c2ccc(cc2)Cl)(C)C,0.0
58867,CO-ADD:0295808,-0.37,c1(NC(=O)C(C)Oc(ccc(c2C)Cl)c2)sc(c3c1C(N)=O)CCCCCC3,0.0
58868,CO-ADD:0293533,-0.37,C1(C(OCC)=O)=C(N)Oc(ccc(cccc2)c23)c3C1c4ccc(c5c4)OCO5,0.0
58869,CO-ADD:0294724,-0.37,C(c1ccccc1O)(C2)=Nc3c(N=C2c4ccccc4)cccc3,0.0
58870,CO-ADD:0293551,-0.37,c1(C(O)c2cccc(cccc3)c23)cnc(C(C)C)n1C,0.0
58871,CO-ADD:0294836,-0.37,c1(c(ccc(c1)[N+](=O)[O-])N(C2=O)CCBr)C2=O,0.0
58872,CO-ADD:0294874,-0.37,N1(c2ccc(cc2)OC)C(=O)\C(=C\c(cc3OC)cc(c3OC)OC)\C(NC1=S)=O,0.0
58873,CO-ADD:0286351,-0.37,c1(C2=O)c(c(n[nH]1)c3ccccc3)C(N2c(cccc4C(F)(F)F)c4)c(cc5)ccc5[N+](=O)[O-],0.0
58874,CO-ADD:0285731,-0.37,S(=O)(=O)(Cc1ccccc1)c2cc(cc([N+](=O)[O-])c2C(N)=O)[N+](=O)[O-],0.0
58875,CO-ADD:0285098,-0.37,N1(NC(=O)c2cccc(Cl)c2)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
58876,CO-ADD:0288808,-0.37,c1(C(NCC#C)=O)ccccc1OC,0.0
58877,CO-ADD:0291928,-0.37,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C\c(ccc4c5ccc(cc5)F)o4,0.0
58878,CO-ADD:0288551,-0.37,n(CCN)(c(C)cn1)c1COC.Cl.Cl,0.0
58879,CO-ADD:0299813,-0.37,N1(c2ccccc2F)C(=O)NC(\C(=C/c(cc3)ccc3OCC)\C1=O)=O,0.0
58880,CO-ADD:0293842,-0.37,[N+](=O)([O-])c(cc1)cc(c1C(N)=O)SCc2ccccc2,0.0
58881,CO-ADD:0292787,-0.37,c1(C(=O)Nc(cc2)ccc2Cl)c3c(sc1NC(=O)c4cccc(C)c4)CC(C)CC3,0.0
58882,CO-ADD:0293809,-0.37,N1(c2ccc(cc2)N)C(=O)C(C3C1=O)C4CC3CC4,0.0
58883,CO-ADD:0293602,-0.37,c1(NC(CSc2ccccn2)=O)sc(c3n1)ccc(cccc4)c34,0.0
58884,CO-ADD:0294544,-0.37,c1(nc(C)c(n2)C)n2cc(c3ccccc3)n1,0.0
58885,CO-ADD:0294921,-0.37,c1(N(CC2)CCO2)nc(C#N)nc(OC)n1,0.0
58886,CO-ADD:0294435,-0.37,[Si]12(CCCNC(C)=O)OCCN(CCO1)CCO2,0.0
58887,CO-ADD:0292859,-0.37,c1(NC(CSc2nccn2C)=O)sc(c3c1C(N)=O)CCC3,0.0
58888,CO-ADD:0293989,-0.37,N1(CC(=O)N2CCCCC2)C(=O)c3c(C(C)=N1)cccc3,0.0
58889,CO-ADD:0286656,-0.37,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
58890,CO-ADD:0290623,-0.37,c1(SCC(=O)C2CC2)[nH]c(c3n1)cccc3,0.0
58891,CO-ADD:0290576,-0.37,c12c(c(ccc1NC(c3ccccc3)=O)N)C(c(cccc4)c4C2=O)=O,0.0
58892,CO-ADD:0293843,-0.37,c1(nc(cc2C(F)(F)F)C(F)(F)F)c2c(nn1c3ccccc3)C,0.0
58893,CO-ADD:0294408,-0.37,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)NCc(cc4)ccc4Cl)c1Cl,0.0
58894,CO-ADD:0294401,-0.37,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)Nc(cc4)ccc4CC)c1Cl,0.0
58895,CO-ADD:0294471,-0.38,C1(C(=O)c2ccc(cc2)C)=C(O)C=C(OC1=O)c3ccc(cc3)C,0.0
58896,CO-ADD:0294004,-0.38,c1([nH]c(c2n1)cc(cn2)Br)\C(\C#N)=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3,0.0
58897,CO-ADD:0295630,-0.38,C1(C#N)=C(N)OC(=C2C1c(cc3OC)cc(c3O)OC)CCCC2=O,0.0
58898,CO-ADD:0292925,-0.38,S(CCCCCCCC)(=O)(=O)CCCl,0.0
58899,CO-ADD:0295593,-0.38,N1(C(CCCN2CC)C2)C(C)(O)C(OC1=O)(C)C,0.0
58900,CO-ADD:0294503,-0.38,c12c(c(n[nH]1)c3ccc(cc3)C)C(N(c4ccc(cc4)F)C2=O)c(cc5)ccc5C(C)C,0.0
58901,CO-ADD:0295768,-0.38,c1(NC(CSc2ccccn2)=O)sc3c(CCC(C(C)(C)C)C3)c1C(OC)=O,0.0
58902,CO-ADD:0295726,-0.38,c1(NC(=S)NC(c2ccccc2)=O)sc(c3c1C(OC)=O)CCCC3,0.0
58903,CO-ADD:0295392,-0.38,c1(C2c(cc(OC)c(c3[N+](=O)[O-])O)c3)c([nH]nc1c(cccc4[N+](=O)[O-])c4)OC(N)=C2C#N,0.0
58904,CO-ADD:0295386,-0.38,[n+]([O-])(c(cccc1)c12)c3c([n+]2[O-])CCCC3,0.0
58905,CO-ADD:0292995,-0.38,C(COc1cccc(Br)c1)(=O)N\N=C\c(cc2)ccc2OC(=O)\C=C\c3ccco3,0.0
58906,CO-ADD:0295881,-0.38,c1(C2c3ccc(cc3)OC(=O)N(CC4)CCO4)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
58907,CO-ADD:0293300,-0.38,c1(c(C)nc2n1cccn2)c3csc(Nc(cc4)ccc4C(O)=O)n3.Br,0.0
58908,CO-ADD:0293773,-0.38,C1(=O)N(CCCCCCCBr)C(C)=CC(=O)N1C,0.0
58909,CO-ADD:0292422,-0.38,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3cc(OCO4)c4cc3[N+](=O)[O-],0.0
58910,CO-ADD:0295652,-0.38,c12c(c3c(CCCC3)s1)c(nc(c4ccc(cc4)OCc5cccc(cccc6)c56)n2)O,0.0
58911,CO-ADD:0292952,-0.38,C(C(C)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(O)C(N1c3ccc(cc3)OC)=O,0.0
58912,CO-ADD:0286107,-0.38,s1c(COc2cc(C)ccc2C)nnc1N,0.0
58913,CO-ADD:0285125,-0.38,c12c(nnc(SCC=C)n1)c3c(cccc3)n2CCc4ccccc4,0.0
58914,CO-ADD:0285775,-0.38,N(C(=O)\C(\S1)=C/c2ccccc2OC)=C1N3CCCCC3,0.0
58915,CO-ADD:0285071,-0.38,n1c(c2ccccc2)[nH]c(c3ccccc3)c1c4ccc(cc4)Sc5ccccc5,0.0
58916,CO-ADD:0290633,-0.38,N1(C(=O)\C=C\c2ccco2)C(C)CC(c(cccc3)c13)Nc4ccccc4,0.0
58917,CO-ADD:0299632,-0.38,N1(c2cccc(c2)C(OC)=O)C(=O)c3c(cc(cc3)Oc4cccc(N)c4)C1=O,0.0
58918,CO-ADD:0293836,-0.38,C(C(OC)=O)(C1c(cccn2)c2)=C(C)N(C(C)=C1C(OC)=O)C,0.0
58919,CO-ADD:0292423,-0.38,N1(c2ccccc2[N+](=O)[O-])C(CCCC3=O)=C3C(C(C(OCC)=O)=C1N)c(ccs4)c4,0.0
58920,CO-ADD:0295058,-0.38,n1(c(cc2)ccc2C(N)=O)nnnc1SCCCC#N,0.0
58921,CO-ADD:0295610,-0.38,C(C(C)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
58922,CO-ADD:0295952,-0.38,c1(C2c3ccc(c(OC)c3OC)OC)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
58923,CO-ADD:0293603,-0.38,C(=C(\C1)/CCCCC1)(/C#N)\C(=O)Nc(cc2)ccc2OCC,0.0
58924,CO-ADD:0294576,-0.38,C(=O)(NCc(cccn1)c1)C2CCCCC2C(O)=O,0.0
58925,CO-ADD:0295769,-0.38,c1(c(C)c(sc1NC(=O)c2ccc(Br)o2)C)C(=O)OC(C)C,0.0
58926,CO-ADD:0295844,-0.38,c(c(c1ccccc1)nn2c3ccccc3)(c2C)C(=O)N4CCc(cccc5)c45,0.0
58927,CO-ADD:0294860,-0.38,c1(cc(ccc1Cl)NC(N)=S)C(O)=O,0.0
58928,CO-ADD:0293360,-0.38,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccccc5Br)cccc4,0.0
58929,CO-ADD:0295855,-0.38,c(Nc1ccccc1C)(n2)nc(nc2OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F,0.0
58930,CO-ADD:0293060,-0.38,c1(cnc(CC)n1C)C(O)(c2ccccc2)c3ccc(cc3)C,0.0
58931,CO-ADD:0299226,-0.38,N1(c2ccccc2)C(=O)C(CC1=O)NCCc(cc3)ccc3Cl,0.0
58932,CO-ADD:0290608,-0.38,C12(O)C(O)(c3c(cccc3)C1=O)N(C(=S)N2c4ccccc4)c5ccccc5,0.0
58933,CO-ADD:0299644,-0.38,N1(c2c(cc(OCC)cc2)\C(\C(=S)C1(C)C)=C(\S3)/SC(=C3C(OC)=O)C(OC)=O)S(=O)(=O)c4ccc(cc4)C,0.0
58934,CO-ADD:0299677,-0.38,c1(C(OCC)=O)nc([nH]c1C(OCC)=O)C,0.0
58935,CO-ADD:0290596,-0.38,c12c(nnc(SCC(=O)Nc3sc(cc3C(OCC)=O)c4ccccc4)n1)c5c(cccc5)n2C,0.0
58936,CO-ADD:0291848,-0.38,S1(=O)(=O)CC(C(OC(c2ccccc2)=O)C1)OC(c3ccccc3)=O,0.0
58937,CO-ADD:0287399,-0.38,N1(C2c3cccc(OC)c3)C(S\C(=C/c4cc(OC)ccc4Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
58938,CO-ADD:0285031,-0.38,C(CN1CCCCC1)#CC(CC)O.CC(=O)O,0.0
58939,CO-ADD:0286539,-0.38,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(Cc(ccc(c34)OCO3)c4)C(=O)c5ccc(cc5)Cl)C1=O,0.0
58940,CO-ADD:0291938,-0.39,C(=O)(Nc(ccc(c1Cl)C)c1)C2CCCCC2C(O)=O,0.0
58941,CO-ADD:0293687,-0.39,C(C(OC)=O)(CC(N1c(cc2)ccc2C(C)C)=O)=C1C,0.0
58942,CO-ADD:0292549,-0.39,c1(c2cccc1[N+](=O)[O-])NC(=O)CC(C)=N2,0.0
58943,CO-ADD:0292726,-0.39,C(/Oc(c12)ccc(c1)[N+](=O)[O-])(\C2N(CC3)CCO3)=C\C(C)(O)C4CC(CC45)C=C5,0.0
58944,CO-ADD:0293570,-0.39,C(=O)(Nc(cc1)ccc1Cl)N(Cc(cccc2C(F)(F)F)c2)Cc(cccn3)c3,0.0
58945,CO-ADD:0295749,-0.39,c1(NC(CSc2sc3c(ccc(OCC)c3)n2)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
58946,CO-ADD:0293576,-0.39,N1(C)C(COc(cc2)ccc2Cl)=Nc(c3C1=O)cccc3,0.0
58947,CO-ADD:0295717,-0.39,C(O)(c1ccccc1)(C(C)C2)CC(N2CCC(C)C)C,0.0
58948,CO-ADD:0294839,-0.39,c1(O2)c(cc(O)cc1c3ccc(cc3)Br)SC2=S,0.0
58949,CO-ADD:0294928,-0.39,C(OCc1ccccc1)(=O)Nc2cccc(C)c2,0.0
58950,CO-ADD:0285359,-0.39,c1(sc(cn1)Cc(cc2)ccc2F)NC(C)=O,0.0
58951,CO-ADD:0285367,-0.39,N1(CCC)C(=O)\C(\SC1=S)=C\C=C(\C2(C)C)/N(CC)c(c23)ccc(c4ccccc4)c3,0.0
58952,CO-ADD:0286383,-0.39,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5cccc(c5)OCc6ccccc6)cccc4,0.0
58953,CO-ADD:0291354,-0.39,N12C(=NN=C(c3ccccc3)C1c4ccccc4)S\C(\C2=O)=C(/c5c(N6C(C)=O)cccc5)\C6=O,0.0
58954,CO-ADD:0293433,-0.39,C1(=O)N(CCC)CCOC1CC(=O)Nc(cc2)ccc2Br,0.0
58955,CO-ADD:0293427,-0.39,C12(O)C(O)(c3c(cccc3)C1=O)NC(=S)N2CC=C,0.0
58956,CO-ADD:0292452,-0.39,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C\c5ccco5)\C6=O)N36)N(C(=O)N1C)C,0.0
58957,CO-ADD:0295925,-0.39,c1(c2c3ccccc3)c([nH]n2)OC(N)=C(C#N)C1c4c(F)c(F)c(c(F)c4F)F,0.0
58958,CO-ADD:0295356,-0.39,C(C#N)(C1c(cc2)ccc2C(OC)=O)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
58959,CO-ADD:0293051,-0.39,n1c(c2ccc(c(OC)c2)OC)csc1Nc(cc3)ccc3N,0.0
58960,CO-ADD:0293819,-0.39,c1(c(C)c(s2)C)c2ncnc1Nc3cccc(Cl)c3,0.0
58961,CO-ADD:0292353,-0.39,N1(c2ccc(cc2)NC(C)=O)CC(CC1=O)C(O)=O,0.0
58962,CO-ADD:0294499,-0.39,c12c(c(n[nH]1)c3ccc(cc3)C)C(N(c4ccc(cc4)F)C2=O)c(cccc5[N+](=O)[O-])c5,0.0
58963,CO-ADD:0294960,-0.39,n12c(c3c(cccc3)c(N(CC4)CCO4)n1)nnc2C(F)(F)C(F)(F)F,0.0
58964,CO-ADD:0293077,-0.39,c(c1c2ccccc2)(C3c4ccccc4OC(=O)N(CC5)CCO5)c([nH]n1)OC(N)=C3C#N,0.0
58965,CO-ADD:0287891,-0.39,n1(c(C)c(nn1)\C(\C)=N/NC(N)=S)c2nonc2N,0.0
58966,CO-ADD:0286296,-0.39,C(=N/c1ccc(cc1C)C)(/S\C(\C2=O)=C\c(ccc3c(c(C)ccc4[N+](=O)[O-])c4)o3)\N2,0.0
58967,CO-ADD:0286391,-0.39,C(C#N)(C(CC(N1)=O)c2ccc(c(OC)c2)O)=C1SCC(C)=C,0.0
58968,CO-ADD:0286441,-0.39,c1(N2CCCCC2)nc(N\N=C\c3ccco3)nc(Nc(cc4)ccc4F)n1.Cl,0.0
58969,CO-ADD:0299778,-0.39,N1(c2ccccc2C)C(=O)NC(\C(=C/c3c(OC)ccc(cccc4)c34)\C1=O)=O,0.0
58970,CO-ADD:0299692,-0.39,c(c1)(OC(=O)C=C2C)c2cc(CC)c1OC(C)C(OCC)=O,0.0
58971,CO-ADD:0290578,-0.39,c1(NC(=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)sc(c2c1C(OCC)=O)CCCC2,0.0
58972,CO-ADD:0295953,-0.39,C12(c3c(NC1=O)ccc(Br)c3)C(C#N)=C(N)Oc([nH]nc4c5ccc(c(OC)c5)OC)c24,0.0
58973,CO-ADD:0293520,-0.39,c1(C(=O)OCC(=O)Nc(c(Cl)ccc2C(F)(F)F)c2)nn(cc1Br)C,0.0
58974,CO-ADD:0293524,-0.39,C12(c3c(NC1=O)ccc(Br)c3)C(C(OCC)=O)=C(N)Oc4c2c(C)n[nH]4,0.0
58975,CO-ADD:0294670,-0.39,c1(C(OCC)=O)oc(c2c1NC(=O)CCCl)cccc2,0.0
58976,CO-ADD:0294764,-0.39,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4cccc(Br)c4)ccc(C)c3,0.0
58977,CO-ADD:0295690,-0.39,C1(C(c2ccco2)C(C#N)C(N)=O)=C(O)OC(C)(C)OC1=O,0.0
58978,CO-ADD:0293760,-0.39,N1(CNc(cc2)ccc2C)C(=O)c3c(cccc3)C1=O,0.0
58979,CO-ADD:0296040,-0.39,C(C(OCC)=O)(C(c1cccc(O)c1)N2)=C(C)N(C2=O)CCO,0.0
58980,CO-ADD:0292415,-0.39,S(c1ccccc1)(=O)(=O)N(CCc2ccccc2)CC(=O)Nc3ccccc3Cl,0.0
58981,CO-ADD:0293816,-0.39,S(=O)(=O)(N(CCC)CCC)c(cc1)ccc1C(=O)N2CCCc(cccc3)c23,0.0
58982,CO-ADD:0295287,-0.4,N1=C(N)SCC(CC(O)=O)C1=O,0.0
58983,CO-ADD:0294343,-0.4,c(c1c2ccccc2)(C3c(cc4OC)cc(c4OC(=O)N(CC5)CCO5)OC)c([nH]n1)OC(N)=C3C#N,0.0
58984,CO-ADD:0292808,-0.4,C12C(OC(C)(C)O1)C(OC3C2OC(O3)(C)C)C(NC)=O,0.0
58985,CO-ADD:0295456,-0.4,c1(Sc2cc(ccc2[N+](=O)[O-])N3CCCC3)nncn1C,0.0
58986,CO-ADD:0296113,-0.4,[N+](=O)([O-])c1ccc(cc1NC(C)C23C[C@]([H])(C[C@](C4)([H])C2)C[C@@]4([H])C3)N5CCCCC5,0.0
58987,CO-ADD:0293936,-0.4,C1(c2ccccc2Cl)=N\C(\C(=O)O1)=C\c(cc3)ccc3C(F)(F)F,0.0
58988,CO-ADD:0294930,-0.4,C(c1ccc(cc1)OCCC(C)C)(CC(O)=O)CC(N)=O,0.0
58989,CO-ADD:0295294,-0.4,c1(c2)c(cc(OC)c2NC(=O)c3ccccc3F)c4c(cccc4)o1,0.0
58990,CO-ADD:0295506,-0.4,C1(C(c2ccccc2)=O)=C3N(C4(CCCCC4)OC1=O)c5c(cccc5)N=C3c6ccccc6,0.0
58991,CO-ADD:0295145,-0.4,S(=O)(=O)(c(ccc(c1C(O)=O)O)c1)c2c(O)ccc(O)c2,0.0
58992,CO-ADD:0299798,-0.4,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c(cc3)ccc3N(C)C)\C1=O)=O,0.0
58993,CO-ADD:0299247,-0.4,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCC3(C(N)=O)N4CCCCC4)C1=O,0.0
58994,CO-ADD:0287362,-0.4,N1(C)C(=O)c2c(N=C1SCc3ccccc3F)cccc2,0.0
58995,CO-ADD:0299649,-0.4,c1(ncccc1C(O)=O)Nc(cc2)ccc2OC,0.0
58996,CO-ADD:0288444,-0.4,c1(C(CC2)CCN2)n(CCOC)c(cn1)C.Cl.Cl,0.0
58997,CO-ADD:0286572,-0.4,C(=C/c(cc1)ccc1OCc(cc2)ccc2F)(/C3=O)\C(c4ccc(cc4)Cl)=NO3,0.0
58998,CO-ADD:0295208,-0.4,c1(SCC(=O)c2ccc(cc2)Cl)[nH]c(c3n1)cccc3.Br,0.0
58999,CO-ADD:0294606,-0.4,C1(c2ccc(cc2C)NC(COc3ccccc3C)=O)=Cc4c(OC1=O)cccc4,0.0
59000,CO-ADD:0296036,-0.4,C(=O)(c(cc1)ccc1C#CC2(CCCCC2)O)N(CC3)CCN3c4ccc(c(Cl)c4)Cl,0.0
59001,CO-ADD:0292408,-0.4,n(CC(=O)Nc(ccc(c12)OCO1)c2)(c3c(c4C=O)cccc3)c4,0.0
59002,CO-ADD:0293662,-0.4,C1(C(=O)OCC(C)C)=C(C)Nc(c(ccc2C(F)(F)F)S1)c2,0.0
59003,CO-ADD:0293929,-0.4,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCC(C)=O)N3c4ccccc4,0.0
59004,CO-ADD:0294900,-0.4,c1(cc2c(cc1C(C)=O)OCCO2)[N+](=O)[O-],0.0
59005,CO-ADD:0294591,-0.4,N1(CC(OC)=O)C(c2ccccc2)c3c(NC1c4ccc(cc4)OC)ccc(Br)c3,0.0
59006,CO-ADD:0292498,-0.4,N1(\N=C\c(ccc(c2OC)OC)c2)N=CNC1=S,0.0
59007,CO-ADD:0292287,-0.4,N(CN(CC1)CCO1)(N=C(N2c3ccccc3)c4ccc(cc4)Cl)C2=S,0.0
59008,CO-ADD:0292347,-0.4,n(c(C)c1C)c2c(n1)cc(C)c(C)c2,0.0
59009,CO-ADD:0292624,-0.4,N1(c2ccc(cc2C)C)C(=O)\C(\C(C)=N1)=C/Nc3sc(c(C)c3C(OCC)=O)C(OCC)=O,0.0
59010,CO-ADD:0299324,-0.4,c1(OC(N)=C(C2c3cccc(cccc4)c34)C#N)c2c(n[nH]1)C,0.0
59011,CO-ADD:0291265,-0.4,n12c(S\C(=C/c3sccc3C)\C1=O)nc(c4ccccc4)c2c5ccccc5,0.0
59012,CO-ADD:0299574,-0.4,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(=O)c3ccc(cc3)F)Cl,0.0
59013,CO-ADD:0299760,-0.4,c1(cc(ccc1Sc2ccccn2)C(O)=O)[N+](=O)[O-],0.0
59014,CO-ADD:0299768,-0.4,n1(c2ccccc2)c(COc(cc(CC)cc3C)c3)nnc1S,0.0
59015,CO-ADD:0287396,-0.4,c1(SCC(=O)Nc(ccc(c2Cl)C)c2)sc3c(ccc(c3)NC(CSc4nnc(C)s4)=O)n1,0.0
59016,CO-ADD:0287004,-0.4,C(=O)(Nc1ccccc1Cl)Nc2ccc(cn2)C,0.0
59017,CO-ADD:0292724,-0.4,O1C(=O)OC(C)(C)C1(CBr)Br,0.0
59018,CO-ADD:0292959,-0.4,C(C(=O)c(cc1)ccc1[N+](=O)[O-])(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2CCCO)=O,0.0
59019,CO-ADD:0294627,-0.4,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2)cc(c2Oc3c(F)c(F)c(c(F)c3F)F)OC,0.0
59020,CO-ADD:0294345,-0.4,c1(C2c3ccc(c(OC)c3OC)OC)c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
59021,CO-ADD:0295500,-0.4,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccc(cc1)OC)Nc2sc(c3c2C#N)CCC3,0.0
59022,CO-ADD:0296093,-0.4,c(nn(c12)c(C)cc(C)n1)(S(=O)(=O)NC(C)(C(C)C)C#N)n2,0.0
59023,CO-ADD:0292515,-0.4,N(Cc1ccccc1)(C(=O)CCN2C(C)=O)c3c2cccc3,0.0
59024,CO-ADD:0293706,-0.4,c(c1)(c(O)c(c2c1C(C)=C(CCCC)C(O2)=O)C)[N+](=O)[O-],0.0
59025,CO-ADD:0293619,-0.4,c1(ccc(C)o1)c2c3c(CCCC3)nc(SCC(=O)c4ccc(c(O)c4)O)c2C#N,0.0
59026,CO-ADD:0294853,-0.41,C(=C\C(c1ccccc1)=O)(/Nc(cc2)c(N3)cc2[N+](=O)[O-])\C3=O,0.0
59027,CO-ADD:0294788,-0.41,C(C(N)=O)(=C1)\C(=N/NC(c(cc2)ccn2)=O)\Oc(cccc3)c13,0.0
59028,CO-ADD:0293024,-0.41,S(=O)(=O)(c1ccc(cc1)F)Oc2ccc(cc2OC)\C=N\NC(=O)c3nonc3N,0.0
59029,CO-ADD:0293960,-0.41,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1F)Nc2sc(c3c2C#N)CCCC3,0.0
59030,CO-ADD:0295635,-0.41,C1(C#N)=C(N)OC(=C2C1c3cc(Br)ccc3F)CCCC2=O,0.0
59031,CO-ADD:0293196,-0.41,n1c(c2ccc(c(OC)c2)OC)csc1Nc(cccc3C(C)=O)c3.Br,0.0
59032,CO-ADD:0293776,-0.41,c1(cc(nn1c2ccccc2)c3ccccc3)c4cc(nn4c5ccccc5)c6ccccc6,0.0
59033,CO-ADD:0292446,-0.41,c12c(C(N(C)C(=O)N1C)=O)n(c3n2)CC(=NN3CCO)c4ccc(cc4)Cl,0.0
59034,CO-ADD:0287285,-0.41,S(=O)(=O)(c1ccc(cc1)C)N(C)C(CC2(C)C)CC(N2C)(C)C,0.0
59035,CO-ADD:0287959,-0.41,C(/Oc(c12)ccc3c1OC(=O)C=C3C)(\C2=O)=N/N(c4ccc(cc4)OC)C(C)=O,0.0
59036,CO-ADD:0287606,-0.41,N1(c2c(C)ccc(c2)[N+](=O)[O-])C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(c(OC)c4)OC,0.0
59037,CO-ADD:0287977,-0.41,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cc6c(cc5Br)OCO6)cccc4,0.0
59038,CO-ADD:0290746,-0.41,S(=O)(=O)(N1CCC(CC1)Cc2ccccc2)c3c(OC)ccc(Br)c3,0.0
59039,CO-ADD:0291835,-0.41,C(/c1c(N2Cc3ccccc3)cccc1)(\C2=O)=C(\SC(N4NC(c(cc5)ccn5)=O)=S)/C4=O,0.0
59040,CO-ADD:0287346,-0.41,N12C(S\C(=C\c(cc(OC)c(c3)O)c3Br)\C1=O)=NC(C)=C(C(C)=O)C2c4c(OC)ccc(cccc5)c45,0.0
59041,CO-ADD:0299623,-0.41,C(=O)(c(cc1)ccc1C#CC(C)(C)O)Nc(cc2)ccc2OC(Cl)(F)F,0.0
59042,CO-ADD:0299465,-0.41,N1(c2ccc(c(Cl)c2)Cl)NC(=O)c(c3C1=O)cccc3,0.0
59043,CO-ADD:0285458,-0.41,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)c4ccc(cc4)F)(C)C)=C1c(cccc5OC)c35,0.0
59044,CO-ADD:0286823,-0.41,N(=C(C)C(C)(C)OC1=O)N1CCO,0.0
59045,CO-ADD:0287447,-0.41,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
59046,CO-ADD:0292222,-0.41,N1(N=C(\C(=C\c2ccc(C)o2)\C1=O)c3ccccc3)c4scc(c5ccc(cc5)Br)n4,0.0
59047,CO-ADD:0295380,-0.41,[N+](=O)([O-])c1cc(ccc1OCC(O)=O)CNC(CCl)=O,0.0
59048,CO-ADD:0292401,-0.41,n12c(S\C(=C/c(c(cccc3)c3n4Cc5ccccc5F)c4)\C1=O)nc(cc(Br)cn6)c26,0.0
59049,CO-ADD:0296080,-0.41,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(c(F)c5)F)cccc4,0.0
59050,CO-ADD:0292796,-0.41,C12(c(cccc3)c3C(c4ccc(cc4)CC)(c5ccc(cc5)CC)S1)N(c6ccc(cc6)Cl)N=C(C(C)=O)S2,0.0
59051,CO-ADD:0295349,-0.41,c1(c2c(sc1N)CCCC2)c3scc(c4ccc(cc4)C)n3,0.0
59052,CO-ADD:0294611,-0.41,c1([nH]c(c2n1)cccc2)c3cc(ccc3Cl)NC(=O)c4cccc(I)c4,0.0
59053,CO-ADD:0293887,-0.41,N1(c2cccc(OC)c2)C(=O)\C(=C/c3cc(OCO4)c4cc3[N+](=O)[O-])\C(NC1=S)=O,0.0
59054,CO-ADD:0295345,-0.41,C(=O)(C(C)(C)Br)Nc1ccc(c(OC)c1)OC,0.0
59055,CO-ADD:0294880,-0.41,N(C(c1ccccc1)=O)(C2)CN(CN2C(c3ccccc3)=O)C(c4ccccc4)=O,0.0
59056,CO-ADD:0292397,-0.41,n1(c2c(n3)cccc2)c3S\C(=C/c4ccccc4Sc(cc5)ccc5Cl)\C1=O,0.0
59057,CO-ADD:0292206,-0.42,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(cc4)O)c3C#N)C#N,0.0
59058,CO-ADD:0292421,-0.42,C1(C(F)(F)F)(C(F)(F)F)C=C(C)N(C(N)=C1C#N)c(cc2)ccc2C(F)(F)F,0.0
59059,CO-ADD:0294769,-0.42,n1(Cc2ccc(cc2Cl)Cl)c3c(nc1SCc(cc4)ccc4F)cccc3,0.0
59060,CO-ADD:0292349,-0.42,S1(=O)(=O)c(cccc2)c2C(N(CCC(=O)N(CC)CC)\N=C\c(cc3)ccc3OC)=N1,0.0
59061,CO-ADD:0294029,-0.42,P(=O)(Oc1cccc(cccc2)c12)(Oc3cccc(cccc4)c34)Oc5cccc(cccc6)c56,0.0
59062,CO-ADD:0287274,-0.42,N(CC1)(CCN1CCC(=O)Nc2c(OC)ccc(Cl)c2)c3ccccc3C.Cl.Cl,0.0
59063,CO-ADD:0287403,-0.42,N1(C2c3cccc(OC)c3)C(S\C(=C/c4cccc(O)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
59064,CO-ADD:0287356,-0.42,N1(C2c3ccc(cc3)Cl)C(S\C(=C/c(ccc4c5ccc(c(Cl)c5)C)o4)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
59065,CO-ADD:0287614,-0.42,c12c(ccc3c1OC(=O)C=C3C)O\C(=C/c4cc(Br)cc(Br)c4O)\C2=O,0.0
59066,CO-ADD:0285892,-0.42,c1(c2ccc(cc2)NCc(cc3)ccc3N(C)C)sc(c4n1)cccc4,0.0
59067,CO-ADD:0286117,-0.42,C1(C2c3ccc(cc3)O)=C(CC(c4ccc(cc4)Cl)CC1=O)NC(C)=C2C#N,0.0
59068,CO-ADD:0286520,-0.42,c1(c(C)cc(cc1C)C)C(=O)c(cc2)ccc2C(=O)Nc(c3)cc4c(cccc4)n3,0.0
59069,CO-ADD:0286553,-0.42,c12c(c3c(cccc3)[nH]1)nnc(SC(c4ccccc4)CCC5CC5)n2,0.0
59070,CO-ADD:0291351,-0.42,C(c1ccccc1)(CC2c3ccccc3Cl)(OC(c4ccccc4)=O)NC(=C2C#N)SC,0.0
59071,CO-ADD:0287639,-0.42,N1(CCCc(cccc2)c12)C(=O)CSC3=NCCS3,0.0
59072,CO-ADD:0291771,-0.42,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(ccc4c5c(OC)ccc(c5)[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
59073,CO-ADD:0290705,-0.42,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)F)n3c(ccc(C(N)=O)c3)c1S(CCC)(=O)=O,0.0
59074,CO-ADD:0285736,-0.42,C12(CC(OC1=O)COCCCC)CC(OC2=O)(C)C(=O)CSc(nnc3c4ccccc4Cl)[nH]3,0.0
59075,CO-ADD:0284956,-0.42,c1(c2ccccc2Cl)nnc(SCC(O)=O)n1c3ccccc3,0.0
59076,CO-ADD:0295854,-0.42,c(OC(C(F)(F)F)C(F)(F)F)(nc(Nc(cc1)ccc1C)nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
59077,CO-ADD:0292623,-0.42,N1(c2ccccc2OC)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
59078,CO-ADD:0292841,-0.42,N1(CCc(cccc2)c12)C(=O)CSc3sc4c(ccc(c4)NC(C(C)Br)=O)n3,0.0
59079,CO-ADD:0292202,-0.42,n1c(c(cccc2[N+](=O)[O-])c2)[nH]c(c3ccccc3)c1c(cc4)ccc4c(cc5)ccc5[N+](=O)[O-],0.0
59080,CO-ADD:0295281,-0.42,[N+](=O)([O-])c1ccc(cc1NC(c2ccccc2)c3ccccc3)N4CCCCC4,0.0
59081,CO-ADD:0293053,-0.42,c1(c2c(s3)CCC2)c3N=CN(CC(=O)Nc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
59082,CO-ADD:0294096,-0.42,N(c1ncccn1)(C2c3ccc(cc3)C)C(=O)C(=C2C(c4ccccc4)=O)O,0.0
59083,CO-ADD:0293450,-0.42,C(/C#N)(\C(OC)=O)=C(/Nc(ccc(c1Cl)F)c1)\C(F)(F)F,0.0
59084,CO-ADD:0293513,-0.42,N(c1ccccn1)(C2c3ccc(cc3)F)C(=O)C(=C2C(=O)\C=C\c4ccccc4)O,0.0
59085,CO-ADD:0292843,-0.42,P(=O)(OC(C)C)(OC(C)C)C(c1ccc(cc1)OC)Nc(ccc(c2Cl)Cl)c2,0.0
59086,CO-ADD:0292530,-0.42,N(C(=O)CCN1CCC)c2c1cccc2,0.0
59087,CO-ADD:0293811,-0.42,P(OCC)(OCC)(=O)c1ccccc1OC(=O)CN(CC(CCC=C2)C2)CC3CCCO3,0.0
59088,CO-ADD:0292350,-0.42,S1(=O)(=O)c(cccc2)c2C(=NN3C(=O)c4ccc(cc4)C)N1C3N(C)C,0.0
59089,CO-ADD:0292342,-0.42,C(/C#N)(\C(N)=O)=C\c1cccn1c2cccc(c2)[N+](=O)[O-],0.0
59090,CO-ADD:0299536,-0.43,N1(c2ccc(cc2)OC)C(=O)c(c3C1(O)c4[nH]ccn4)cccc3,0.0
59091,CO-ADD:0299449,-0.43,c12c(n(c(NCCCN(CC3)CCO3)n1)C)C(N(C)C(=O)N2C)=O,0.0
59092,CO-ADD:0287687,-0.43,n1(cc(nc1C)C)S(=O)(=O)c2ccc(cc2)Cl,0.0
59093,CO-ADD:0287224,-0.43,c1(n2)c(ccc(\N=C/N(C)C)c1)no2,0.0
59094,CO-ADD:0287640,-0.43,c1(NC(COC(=O)C(CC(C)C)NC(c2ccccc2)=O)=O)cc(on1)C,0.0
59095,CO-ADD:0284997,-0.43,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(cc4OC)cc(c4O)OC,0.0
59096,CO-ADD:0286323,-0.43,o(c(SCC(c1ccccc1)=O)nn2)c2c3ccccc3,0.0
59097,CO-ADD:0294390,-0.43,N1(c(cccc2C(F)(F)F)c2)C(\C=C\c3ccco3)=Nc(c4C1=O)cccc4,0.0
59098,CO-ADD:0294308,-0.43,C(C#N)(C(c(ccs1)c1)C2=C(N3c4ccc(cc4Cl)[N+](=O)[O-])CCCC2=O)=C3N,0.0
59099,CO-ADD:0296168,-0.43,N(c1ccc(cc1C)C)(C2)C(=S)SCN2c3ccc(cc3C)C,0.0
59100,CO-ADD:0292538,-0.43,N1(C=O)C(C)CC(Nc(ccc(c2)[N+](=O)[O-])c12)=O,0.0
59101,CO-ADD:0293604,-0.43,C(/C#N)(=C(\CCC(C1)C)/C1)\C(=O)NCc2ccccc2,0.0
59102,CO-ADD:0295109,-0.43,c(c1C)([N+](=O)[O-])c(Cl)nc(Cl)c1C(=O)Nc(cc2)ccc2Cl,0.0
59103,CO-ADD:0295451,-0.43,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])Cl)c1)Nc2ccc(cc2C(=O)Nc(ccc(c3Cl)Cl)c3)Cl,0.0
59104,CO-ADD:0295410,-0.43,c1(C2c3ccco3)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
59105,CO-ADD:0294309,-0.43,C(C#N)(C(c(cc1)ccc1N(CC)CC)C2=C(N3c4ccc(cc4Cl)[N+](=O)[O-])CCCC2=O)=C3N,0.0
59106,CO-ADD:0295156,-0.43,[N+](=O)([O-])c(cc1)ccc1C(=O)NCc(cccn2)c2,0.0
59107,CO-ADD:0294595,-0.43,C1(C(=O)Nc2ccccc2C)=C(O)c3c(N(CC)C1=O)cccc3,0.0
59108,CO-ADD:0292904,-0.43,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Oc4ccccc4)cc5[N+](=O)[O-])c5)c1Cl,0.0
59109,CO-ADD:0294432,-0.43,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4ccccc4Cl,0.0
59110,CO-ADD:0293148,-0.43,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C\c4c5c(cccc5)cc(cccc6)c46)\C1=O)=NC(C)=C2C(OCC)=O,0.0
59111,CO-ADD:0295835,-0.43,c12c(n(cn1)CC(=O)Nc3ccccc3)C(N(C)C(=O)N2C)=O,0.0
59112,CO-ADD:0295362,-0.43,c1(O2)c(c(n[nH]1)CC)C(C(C#N)=C2N)c3ccc(cc3)O,0.0
59113,CO-ADD:0285538,-0.43,S1(=O)(=O)c(cccc2)c2C(N(CC3)CCN3C(=O)c(cc4OC)cc(c4OC)OC)=N1,0.0
59114,CO-ADD:0299609,-0.43,C1(C(C)=O)=C(Nc(cc2)ccc2Br)CC(C)(O)C(C(C)=O)C1c3ccc(c(OC)c3)O,0.0
59115,CO-ADD:0287029,-0.43,c1(C#N)c(COC)cc(nc1SCC#N)C,0.0
59116,CO-ADD:0285564,-0.43,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(=O)Cc4cccc(cccc5)c45)n1,0.0
59117,CO-ADD:0286985,-0.43,c(C(=O)N1CCCCC1)(sc(c2C(OCC)=O)N)c2C,0.0
59118,CO-ADD:0287879,-0.43,N1(CNc(cccc2C(F)(F)F)c2)c3c(OC1=S)ccc(Cl)c3,0.0
59119,CO-ADD:0294749,-0.43,C1(COc(c2O1)cccc2)C(=O)Nc(cc3)ccc3C(O)=O,0.0
59120,CO-ADD:0295966,-0.43,C1(C(F)(F)F)(C(F)(F)F)NN(C(N)=C1C#N)c2ccccc2,0.0
59121,CO-ADD:0293531,-0.43,C1(C(=O)C(C)(O)CC(C(=O)OC(C)C)C1c2ccc(cc2)F)C(=O)OC(C)C,0.0
59122,CO-ADD:0293580,-0.43,c1(c(C)cc(n2)C)c2Nc(ccc(C)c3)c3C1=O,0.0
59123,CO-ADD:0293665,-0.43,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccccc5C)cccc4,0.0
59124,CO-ADD:0294266,-0.43,C1(SCc(cc2)ccc2C(OC)=O)=NCCS1,0.0
59125,CO-ADD:0294072,-0.43,C(=O)(C(CCCC)(CCCC)O)Nc1ccccn1,0.0
59126,CO-ADD:0295994,-0.43,n(n1)n[nH]c1c(ccc(c23)OCO2)c3,0.0
59127,CO-ADD:0292883,-0.43,c1([N+](=O)[O-])nn(c(C)c1Cl)CC(=O)NCC(C)C,0.0
59128,CO-ADD:0299610,-0.43,C(C(C)=O)(C1c2ccc(cc2)Cl)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
59129,CO-ADD:0285532,-0.43,c1(c2c(sc1NC(=O)c3ccccc3F)CCC2)C(=O)N4CCCCCC4,0.0
59130,CO-ADD:0285518,-0.43,[N+](=O)([O-])c1ccccc1C(=O)Nc(ccc(c2s3)nc3SCc(cc4)ccc4I)c2,0.0
59131,CO-ADD:0299735,-0.44,n1c(SCC(=O)Nc(cc2)ccc2CC)[nH]nc1c(cccc3[N+](=O)[O-])c3,0.0
59132,CO-ADD:0299597,-0.44,N1(C(CC2(C)C)CC(N2)(C)C)C(C)(O)C(OC1=O)(C)CC\C=C(/C)\CC\C=C(\C)/C,0.0
59133,CO-ADD:0285522,-0.44,N1(CN2CCCC2)C(=O)\C(\SC1=S)=C/c(cc3)ccc3C(C)C,0.0
59134,CO-ADD:0285724,-0.44,S(=O)(=O)(Cc1ccccc1)c2cc(cc([N+](=O)[O-])c2CC(OC)=O)[N+](=O)[O-],0.0
59135,CO-ADD:0285349,-0.44,c1(nnc(SCC(=O)Nc2ccccc2)s1)NS(C)(=O)=O,0.0
59136,CO-ADD:0287321,-0.44,C1(C2)(CC(CC=C1OC)(CN2CC(O)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
59137,CO-ADD:0287922,-0.44,C1(=C(N)C2=O)c(c3C(=O)c(cccc4)c14)c(N2)c(cc3)C,0.0
59138,CO-ADD:0287324,-0.44,C(c1c(C2=O)cccc1)(=N3)C2C(C4=C3CCCC4=O)c5cccs5,0.0
59139,CO-ADD:0286845,-0.44,c1(nonc1N)\C(\N)=N\OC(=O)c2ccc(cc2)Cl,0.0
59140,CO-ADD:0300009,-0.44,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c3cc(OC)ccc3OC)\C1=O)=O,0.0
59141,CO-ADD:0299337,-0.44,C1(C#N)(CC(N2)(O)C(C(c3ccc(cc3)OC)C1(C#N)C#N)C)C2=O,0.0
59142,CO-ADD:0294766,-0.44,C(C1)(Nc(cc2)ccc2C(OCC)=O)=CC(CC1c3ccc(cc3)Cl)=O,0.0
59143,CO-ADD:0294285,-0.44,c1(C[n+]2ccccc2)nc(c3n1Cc4ccccc4)cccc3.[Cl-],0.0
59144,CO-ADD:0294383,-0.44,c1(c2c(sc1NC(Cc3ccccc3)=O)CCCCC2)C(=O)Nc4ccccc4,0.0
59145,CO-ADD:0293654,-0.44,N(N)c(cc1)ccc1F.Cl,0.0
59146,CO-ADD:0293597,-0.44,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1OCC)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
59147,CO-ADD:0293670,-0.44,C1(C(=O)OCc2ccccc2)=C(C)Nc(c(ccc3C(F)(F)F)S1)c3,0.0
59148,CO-ADD:0296115,-0.44,c1(cc(Cl)ccc1N(CC2)CCN2CCOc3c(C)non3)[N+](=O)[O-],0.0
59149,CO-ADD:0293549,-0.44,c1(C(O)c2cc(OC)ccc2OC)n(C(C)C)c3c(cccc3)n1,0.0
59150,CO-ADD:0294711,-0.44,c1(c2Cl)c(cc(cc1NP(OC)(OC)=O)[N+](=O)[O-])sn2,0.0
59151,CO-ADD:0294663,-0.44,c1(C=O)c2c([nH]c1CCC(O)=O)cccc2,0.0
59152,CO-ADD:0293211,-0.44,N(\C(=C/c(cc1)ccc1N(CC)CC)\C(N2)=O)=C2c3ccccc3,0.0
59153,CO-ADD:0292653,-0.44,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc4cccnc4Cl)n2,0.0
59154,CO-ADD:0295572,-0.44,N1(Cc2ccccc2)C(=O)c3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])S1=O,0.0
59155,CO-ADD:0293610,-0.44,C(C1)(CC(C2)CC3CC12)(C3)NC(=O)CCSc(cc4)ccc4Cl,0.0
59156,CO-ADD:0294426,-0.44,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c1Cl,0.0
59157,CO-ADD:0294468,-0.44,N1(c2ccc(cc2C)C)C(=O)C(CC1=O)S\C(=N\CCc3ccccc3)\Nc(cc4)ccc4OC(Cl)(F)F,0.0
59158,CO-ADD:0136905,-0.44,n1([H])c(cc(OC)cc2)c2c(c1[C@@](C[C@]3([C@](C[C@@H](O)[C@H](OC)[C@H]3C(O)=O)(C4)[H])[H])(N45)[H])CC5,0.0
59159,CO-ADD:0136738,-0.44,N1(C)C(Cc(cn2[H])c(c2cc3)c4c3)C4=CC(C(=O)NC(CC)CO)C1,0.0
59160,CO-ADD:0136746,-0.44,Clc(ccc1NC(=O)Nc(cc2)c(c(c2)n3)ns3)cc1,0.0
59161,CO-ADD:0136074,-0.44,c1c(NC(NCCC)=O)c(C)cc(C)c1,0.0
59162,CO-ADD:0136106,-0.44,C1=CC=C(OC(c2ccc(OC)cc2)=O)C(=O)N1[H],0.0
59163,CO-ADD:0136274,-0.44,Clc1cc(Nc(c(ccc2)Cl)c2)nc(N)n1,0.0
59164,CO-ADD:0137031,-0.44,O=[As](O)(O)c(ccc1c(ccc([As](O)(O)=O)c2)c2)c([N+](=O)[O-])c1,0.0
59165,CO-ADD:0137151,-0.44,Clc1c(cc(c(c1)OCC(Nc(c(cc([N+](=O)[O-])c2)Cl)c2)=O)Cl)Cl,0.0
59166,CO-ADD:0137048,-0.44,S(CC(N)C(O)=O)C1(c2c(c(cccc3)c13)cccc2)c(c(cccc4)c4c5)cc5,0.0
59167,CO-ADD:0137064,-0.45,c1([C@H](O)[C@]2([H])NCCCC2)cc(c3ccc(C(F)(F)F)cc3)nc(C(F)(F)F)c1,0.0
59168,CO-ADD:0135831,-0.45,Clc(cc(c(C(NCCC)=O)c1)Cl)c1,0.0
59169,CO-ADD:0136113,-0.45,C1(c2ccccc2)SC(=NC(=O)C=C3)N3C1,0.0
59170,CO-ADD:0135888,-0.45,[H]N1N(C(=O)C=C1CC(NN)=O)[H],0.0
59171,CO-ADD:0135912,-0.45,N1=C(N)N([H])c(c(C1=S)n2)n(CCCC)c2,0.0
59172,CO-ADD:0135936,-0.45,n1ccnc(C)c1Sc(cccc2)c2,0.0
59173,CO-ADD:0135769,-0.45,Clc(cc1)cc(NC(N)=S)c1,0.0
59174,CO-ADD:0136490,-0.45,c1cc(Cl)c(CNC(c2c(C)nns2)=O)c(F)c1,0.0
59175,CO-ADD:0136426,-0.45,N1(CCOC(C)=O)c(c(ccc2)Sc(c3)c1ccn3)c2,0.0
59176,CO-ADD:0136028,-0.45,O(C(NC)=O)c(c(C(C)C)cc(N(C)C)c1)c1,0.0
59177,CO-ADD:0135749,-0.45,O1CC(C)C(=C(/CC(C)C2)O2)C1=O,0.0
59178,CO-ADD:0135757,-0.45,c1(snc(OCC)n1)OCC,0.0
59179,CO-ADD:0135877,-0.45,[H]N1C=CC(N=C1Nc(ccc(c2)Cl)c2)=O,0.0
59180,CO-ADD:0135909,-0.45,O=C(NC(C1(CCC(O)=O)c(cccc2)c2)=O)N1[H],0.0
59181,CO-ADD:0135734,-0.45,O=C(N([H])c(c1C2=O)nc(C)s1)N2O,0.0
59182,CO-ADD:0136790,-0.45,O(CCCC)c1ccc(NC(Nc2sc(C)nn2)=O)cc1,0.0
59183,CO-ADD:0136750,-0.45,c1cc([N+](=O)[O-])c(CSc(nc([nH]cn2)c2c3O)n3)cc1,0.0
59184,CO-ADD:0136838,-0.45,n1(C(C)(C)C)cc(C(=O)c2ccccc2)cc1c(cccc3)c3,0.0
59185,CO-ADD:0136815,-0.45,C(C)(=C)c1nc(Oc2ccccc2)nc(Oc3ccccc3)n1,0.0
59186,CO-ADD:0135680,-0.45,C1C(NCCC(O)=O)CCCC1,0.0
59187,CO-ADD:0135696,-0.45,c1(n([H])c(C)nn1)SCC(O)=O,0.0
59188,CO-ADD:0136578,-0.45,o1c(c(c2ccccc2)nc1c3c(ccc4)c(ccn3)c4)c(cccc5)c5,0.0
59189,CO-ADD:0136571,-0.45,O=C(CC(C)(C)CC1(C)P(OCCCC)(OCCCC)=O)C1,0.0
59190,CO-ADD:0136579,-0.45,C12(C)CC(CC1)C(C)(C)C2OC(=O)c(c(C(O)=O)ccc3)c3,0.0
59191,CO-ADD:0136659,-0.45,c1cc(C(=O)c(ccc(C(N)=O)c2)c2S3(=O)=O)c3cc1,0.0
59192,CO-ADD:0136452,-0.45,N1(C)CCN(C(Nc(cc(SC)cc2)c2)=O)CC1,0.0
59193,CO-ADD:0136428,-0.45,[O-][n+]1ccc(c(C)c1)N=Nc2ccc(NC)c(C)c2,0.0
59194,CO-ADD:0136625,-0.45,n1c(c(N)nc2N)c(n2)nc(c3ccc(N)cc3)c1c4ccc(N)cc4,0.0
59195,CO-ADD:0135615,-0.45,c1cc(NC(N)=N)ccc1NC(=N)N,0.0
59196,CO-ADD:0135969,-0.45,[H]n1c(cccc2)c2c(ccc3CCN)c1c3C,0.0
59197,CO-ADD:0135746,-0.45,c1c(NC(NCCC)=S)cccc1,0.0
59198,CO-ADD:0135842,-0.45,c1(C=C(C#N)/C(OCC)=O)c(c(ccc2)n([H])c1)c2,0.0
59199,CO-ADD:0137069,-0.45,C1(CCN(C)C)c(nccc2)c2CCc(cc(Cl)cc3)c13.C(C(O)=O)NC(C)=O,0.0
59200,CO-ADD:0135704,-0.45,[H]N1CCC(Cc(cccc2)c2)(O)CC1,0.0
59201,CO-ADD:0137113,-0.45,Clc1cc(ccc1OCCCOc2ccccc2)N(C(N)=N3)C(C)(C)N=C3N.C(S(O)(=O)=O)C,0.0
59202,CO-ADD:0136236,-0.45,N(=Nc(c(N)n1)c(N)n1c(cccc2)c2)c(ccc(C)c3)c3,0.0
59203,CO-ADD:0136069,-0.45,N1([N+](=O)[O-])C(=O)N(c2scnn2)CC1,0.0
59204,CO-ADD:0135613,-0.45,n1c(c(CCC2)nc(CCC3)c1C3)C2,0.0
59205,CO-ADD:0136900,-0.45,N(c(c(cccc1)c1c2N)cc2OC)=Nc3cccc(S(N)(=O)=O)c3,0.0
59206,CO-ADD:0136596,-0.45,O=C(CC[C@@]1(C)C2=CC[C@]([C@@]1(CC3)[H])([C@](CC[C@]4(C)O)([C@]34C)[H])[H])N2C,0.0
59207,CO-ADD:0136505,-0.45,N(=Cc1c2c(cccc2)ccc1O)/c(ccc3)c(O)c3,0.0
59208,CO-ADD:0136920,-0.45,n1c(C)c(C(NN=Cc(ccc(N(CCCl)CCCl)c2)c2)=O)sc1C,0.0
59209,CO-ADD:0136713,-0.45,n1cccc(C(=O)OCC(COC(=O)c(c2)cccn2)O)c1,0.0
59210,CO-ADD:0136793,-0.45,ClC1=CC2=C(C(=O)N=C(Nc3cc(Cl)ccc3)O2)C(=O)O1,0.0
59211,CO-ADD:0136761,-0.45,O=C1CCC(C(O)=O)(C(C(O)=O)CCCCCCCCCC)O1,0.0
59212,CO-ADD:0136988,-0.45,O=C(c1c(CCN2C)cc(OC)c(OC)c1)Cc(c(C2)c(c3c4)OCO3)c4,0.0
59213,CO-ADD:0136996,-0.45,Clc1c(S(O)(=O)=O)cc(c(c1)N2C(CC(C(O)=O)=N2)=O)Cl,0.0
59214,CO-ADD:0137004,-0.45,c1ccc(n([H])c(CC(CCC(C(CCC2O)C2(C)CC3)C34)C4(C)C5)c56)c6c1,0.0
59215,CO-ADD:0136829,-0.45,C1=CN2C(=C(C(=O)c3cnccc3)C=C(c4ncccc4)C2=O)C=C1,0.0
59216,CO-ADD:0136765,-0.45,n1n(Cc2ccccc2)c3c(CN(C(C(Cl)(Cl)Cl)=N3)[H])n1,0.0
59217,CO-ADD:0136845,-0.45,c1ccc(C2C([N+](=O)[O-])C23c4c(c(cccc5)c35)cccc4)cc1,0.0
59218,CO-ADD:0136981,-0.45,c1c2c(ccc1)ccc(OCCOCCOc3ccc(cccc4)c4c3)c2,0.0
59219,CO-ADD:0135824,-0.45,O1C(OCc2ccccc2)C(O)C(O)C(O)C1,0.0
59220,CO-ADD:0135752,-0.45,N(=NN1CCOCC1)c(cccc2)c2,0.0
59221,CO-ADD:0135760,-0.46,n1c(c(ccc2)ncc1CC#N)c2,0.0
59222,CO-ADD:0135800,-0.46,c1cnc(Sc2ncccn2)cc1,0.0
59223,CO-ADD:0135880,-0.46,c1c(Nc(ccc(NC(N)=O)c2)c2)cccc1,0.0
59225,CO-ADD:0137205,-0.46,N1(C=O)c(cc(OC)c(c2)[C@](C(OC)=O)(c3c(c4c([nH]3)cccc4)CC5)C[C@H](CN56)C[C@@](O)(CC)C6)c2[C@]([C@@]1([C@](C(OC)=O)(O)[C@@H]7OC(C)=O)[H])(CC8)[C@@]([C@@]7(CC)C=CC9)([H])N89.S(O)(=O)(O)=O,0.0
59226,CO-ADD:0137211,-0.46,C1(=C)C(=O)OC(C2(C)C(O)(C=CC2=O)C(C)C3)C1C3,0.0
59227,CO-ADD:0136451,-0.46,Fc(cc1)cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1,0.0
59228,CO-ADD:0135658,-0.46,c1(CN)c2c(cccc2)ccc1O,0.0
59229,CO-ADD:0135650,-0.46,O1C=C(C)CCC1(C)C=NCC(=C)C,0.0
59230,CO-ADD:0135739,-0.46,n1c(c(c(C=O)cc2)ccc1)c2O,0.0
59231,CO-ADD:0136615,-0.46,c1(O)c2c(cccc2)ccc1C(Nc(cc([N+](=O)[O-])cc3)c3)=O,0.0
59232,CO-ADD:0136006,-0.46,n1c(c(ccc2)c(cc1C)OCCN3CC3)c2,0.0
59233,CO-ADD:0135958,-0.46,[H]N1C(=N/N=C(C(C)CCC2)/C2)N([H])C(C=C1C)=O,0.0
59234,CO-ADD:0135799,-0.46,c1c(c(c(N)cc2C)ncc1C)c2C,0.0
59235,CO-ADD:0136851,-0.46,c1cc(O)cc(C2OC(=Nc(cc(C)c(C)c3)c3N4[H])C4=C2O)c1,0.0
59236,CO-ADD:0136883,-0.46,Clc(ccc1)c(Nc(nc(c(cn2)c3Nc4ccccc4Cl)n2C)n3)c1,0.0
59237,CO-ADD:0136971,-0.46,Clc(cc(ncc(c1c(cc(CN(CC)CC)c(OC)c1)n2[H])c23)c3c4)c4,0.0
59238,CO-ADD:0136042,-0.46,O1CC(OC(C)=O)OCC1OC(C)=O,0.0
59239,CO-ADD:0136967,-0.46,C1(N)=C(C#N)C(c2ccc([N+](=O)[O-])cc2)c3c(n(c4ccccc4)nc3C)O1,0.0
59240,CO-ADD:0136808,-0.46,c1cc(F)c(N(C)c2c(c(cc(OC(C)(C)C=C3)c23)OC)C4=O)c4c1,0.0
59241,CO-ADD:0136816,-0.46,c1c(OC)ccc(C2OC(=Nc3c(cc(C)c(C)c3)N4[H])C4=C2O)c1,0.0
59242,CO-ADD:0136255,-0.46,c1(CCC)cc(CCC)cc(C(N)=O)c1OCC=C,0.0
59243,CO-ADD:0136351,-0.46,n1c(C=Cc(cccc2)c2)ccc(C=Cc(cccc3)c3)n1,0.0
59244,CO-ADD:0136176,-0.46,c1c(Nc(c(S(O)(=O)=O)cc(N)c2)c2)ccc(C)c1,0.0
59245,CO-ADD:0136240,-0.47,n1c(cccc2)c2c(C(O)=O)cc1c(c(C)cc(C)c3)c3,0.0
59246,CO-ADD:0136065,-0.47,n1(C)c(C(=O)c(ccn2)cc2)cc(ccc3)c1c3,0.0
59247,CO-ADD:0136145,-0.47,c1nc(C2(C)C(N(C)C(=O)C2)=CC3)c3s1,0.0
59248,CO-ADD:0136249,-0.47,c1ccc(C(=O)C2C(c3ccccc3)C2[N+](=O)[O-])cc1,0.0
59249,CO-ADD:0136265,-0.47,O=[As](O)(c(cc(O)cc1)c1)c(cc(O)cc2)c2,0.0
59250,CO-ADD:0136629,-0.47,O(C)c1c(O)cc(CC2c(c(CCN2C)cc3O)c4c3OC)c4c1,0.0
59251,CO-ADD:0136653,-0.47,O=[As](O)(O)c(ccc1O)cc1NC(=O)c(cccc2)c2,0.0
59252,CO-ADD:0136470,-0.47,N1=C2N(C(C(=NO)C(=O)OCC)=CS2)C(C)(C)N1,0.0
59253,CO-ADD:0136446,-0.47,O(CCCNC(C)=O)c(c(cc([N+](=O)[O-])c1)Cl)c1,0.0
59254,CO-ADD:0136970,-0.47,C1CC(C)(C)c(cc(CC)c(c2nc(CC(N)=NO)sc2)c3)c3C1(C)C,0.0
59255,CO-ADD:0136914,-0.47,N1(CC(O)COc(c(cccc2)c2c3)cc3)CCN(CC1)c(c(ccc4)Cl)c4,0.0
59257,CO-ADD:0137163,-0.47,C1Cc2c(c(cc(c(cccc3)c3cc4)c24)ccc5C)c15,0.0
59258,CO-ADD:0135987,-0.47,N1(CC)CCCCC(=N/O)C(=NO)CCCC1,0.0
59259,CO-ADD:0135995,-0.47,n1c(N)ccc(c1N)N=Nc(c(ccc2)Cl)c2,0.0
59260,CO-ADD:0135796,-0.47,c1(C#N)c(c(cc(C)c1C)C(C)N2[H])N=C2,0.0
59261,CO-ADD:0135996,-0.47,n1(C)c(C)c(C(=O)c(cccc2)c2)c(ccc3)c1c3,0.0
59262,CO-ADD:0136020,-0.47,[H]N1C(N)=CCN1S(=O)(=O)c(ccc(C)c2)c2,0.0
59263,CO-ADD:0136166,-0.47,O1C(CNS(=O)(=O)c(ccc(N)c2)c2)CCCC1,0.0
59264,CO-ADD:0136135,-0.47,[H]N1C(N([H])C(OC)C(C(OC)=O)(F)C1=O)=O,0.0
59265,CO-ADD:0136607,-0.47,n1(C)cnc([N+](=O)[O-])c1Sc2c(c(n(CCC)c3)nc(N)n2)n3,0.0
59266,CO-ADD:0136456,-0.47,N1([H])C(C=CC(OCC)=O)=NC(C(C)=C1C(=O)OCC)=O,0.0
59267,CO-ADD:0135635,-0.47,n1c(N)cc(N)nc1CS,0.0
59268,CO-ADD:0137148,-0.47,[H]N1C2(C(C)C3C(CC(C(CC=C(CC(OC(C)=O)CC4)C45C)C5CC6)C36C)O2)CCC(C)C1,0.0
59269,CO-ADD:0137093,-0.47,Clc(c(CO)cc1C)c(C)c1NCCN(CC)CC.C2C(NS(O)(=O)=O)CCCC2,0.0
59270,CO-ADD:0136624,-0.47,Clc(ccc1C(O)=O)cc1Nc(cn2)ccc2OCCCC,0.0
59271,CO-ADD:0136640,-0.47,[H]n1c(cccc2)c2c(c(C)c(CNCC(OCC)OCC)c3)c1c3C,0.0
59272,CO-ADD:0136377,-0.47,O=C(N(C)C(=C(C1=O)N2[H])N(C2(c3c(cccc3)N4[H])C4=O)[H])N1C,0.0
59273,CO-ADD:0236317,-0.47,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(OC=C)=O)c3ccccc3,0.0
59274,CO-ADD:0234261,-0.47,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c3ccccc3Br,0.0
59275,CO-ADD:0234694,-0.48,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cccc4OC(=O)c5ccccc5Cl)c4,0.0
59276,CO-ADD:0236295,-0.48,S(=O)(=O)(c1ccc(cc1)C)N(CC(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3Cl)c4ccc(cc4Cl)Cl,0.0
59277,CO-ADD:0233439,-0.48,c(cc(Br)cc1Cl)(\C=N\c2cccc(Cl)c2Cl)c1O,0.0
59278,CO-ADD:0235991,-0.48,C1(=Cc2c(OC1=O)ccc(cccc3)c23)c4csc(NC(C)=O)n4,0.0
59279,CO-ADD:0233537,-0.48,N(=C(/C)\c1ccc(cc1)C)/NC(CNc2cccc(C)c2)=O,0.0
59280,CO-ADD:0234867,-0.48,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cc(Br)ccc3OC(c4ccccc4)=O,0.0
59281,CO-ADD:0234165,-0.48,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cc3)cc(c3OC(=O)c4cccc(Br)c4)OC,0.0
59282,CO-ADD:0234138,-0.48,[N+](=O)([O-])c1ccc(cc1N)N(CC2)CCO2,0.0
59283,CO-ADD:0236091,-0.48,N1(\N=C\c2ccc[nH]2)C(=O)c3c(cccc3)C1=O,0.0
59284,CO-ADD:0243452,-0.48,c(C(C1)c2cc(OC)c3c(OCO3)c2OC)(c(NC1=O)c4C(O)=O)n(c5cccc(OC)c5)c4,0.0
59285,CO-ADD:0243751,-0.48,n(cc1)cn1CCCN(C(=O)C(O)=C2C(=O)c3sccc3)C2c4c(OC)c(OC)c(OCO5)c5c4,0.0
59286,CO-ADD:0243847,-0.48,C1=C(C)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)Nc(cc4)ccc4Cl)=C1O,0.0
59288,CO-ADD:0236571,-0.48,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(=O)c3ccc(c(OC)c3)OC)c4ccccc4,0.0
59289,CO-ADD:0236602,-0.48,c1(C#N)c(SCc(cc2)ccc2Cl)nsc1SCc(cc3)ccc3Cl,0.0
59290,CO-ADD:0234559,-0.48,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N/NC(=O)Cc3cccc(cccc4)c34,0.0
59291,CO-ADD:0233096,-0.48,c1(ccc(cc1O)NC(C)=O)C(c2ccccc2)=O,0.0
59292,CO-ADD:0236765,-0.48,S(c1ccccc1)(=O)(=O)N(CC(N)=O)c2c(OC)ccc(OC)c2,0.0
59293,CO-ADD:0234170,-0.48,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3[N+](=O)[O-])Cl)c3)c4cc(Cl)ccc4Cl,0.0
59294,CO-ADD:0232973,-0.48,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4OC,0.0
59295,CO-ADD:0231645,-0.48,c1([nH]c(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c(cc4)ccc4\C=N\c(ccc(c5c6[nH]c(c7n6)ccc(C)c7)O)c5,0.0
59296,CO-ADD:0236584,-0.48,C12(c3c(NC1=O)ccc(c3)[N+](=O)[O-])C4=C(CC(C)(C)CC4=O)OC(N)=C2C#N,0.0
59297,CO-ADD:0233029,-0.48,S(=O)(=O)(c(cc1)ccc1C(=O)Oc(ccc(c2Cl)Cl)c2)c(cc3)ccc3C(=O)Oc(ccc(c4Cl)Cl)c4,0.0
59298,CO-ADD:0237017,-0.48,OC(C(NCCC(NCCCCCCC)=O)=O)C(C)(C)C[H],0.0
59299,CO-ADD:0229936,-0.48,c1(N\N=C\c2ccccc2F)[nH]nnn1,0.0
59300,CO-ADD:0229036,-0.48,[N+](=O)([O-])c1cccc(c1)NC(=O)c2ccc(cc2)Cl,0.0
59301,CO-ADD:0236117,-0.48,N(C(=O)\C(\S1)=C\c(cc2)ccc2C(C)C)=C1N(CC3)CCO3,0.0
59302,CO-ADD:0234894,-0.48,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2\C=N\NC(CNC(=O)c3cccc(F)c3)=O)Br,0.0
59303,CO-ADD:0236370,-0.48,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCc3ccco3,0.0
59304,CO-ADD:0233490,-0.48,c1(c(Br)cc(cc1\C=N\NC(=O)c(ccc(n2)C)c2)Br)OC(=O)c(ccc(c34)OCO3)c4,0.0
59305,CO-ADD:0233378,-0.48,C12(CC(CC3C1)CC(C3)C2)c(cc4)ccc4[N+](=O)[O-],0.0
59306,CO-ADD:0234643,-0.48,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
59307,CO-ADD:0233578,-0.49,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c4ccccc4Cl,0.0
59308,CO-ADD:0233128,-0.49,C(/c1c(N2)cccc1)(=N\c3ccccc3O)\C2=O,0.0
59309,CO-ADD:0237093,-0.49,Brc1c(nc2ncccn12)c3ccc4OCOc4c3,0.0
59310,CO-ADD:0232987,-0.49,c1(nonc1N)\C(=N\OC(=O)c2ccc(cc2)C)\Nc3cc(C)ccc3C,0.0
59311,CO-ADD:0236230,-0.49,c1(C#N)c(C)cc(nc1SCC(=O)NC2CC2)C,0.0
59312,CO-ADD:0231733,-0.49,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(cc(I)cc4I)c4O,0.0
59313,CO-ADD:0233024,-0.49,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c4cccc(Cl)c4,0.0
59314,CO-ADD:0227454,-0.49,C(CNc1ccc(cc1Br)Br)(=O)N\N=C(/C2)\CCCCCC2,0.0
59315,CO-ADD:0233353,-0.49,S(c1ccccc1)(=O)(=O)N(c2ccc(c(C)c2)C)CC(=O)N3CCCC3,0.0
59316,CO-ADD:0231572,-0.49,C1(c2sccc2C)N(CCN1Cc3ccccc3)Cc4ccccc4,0.0
59317,CO-ADD:0236274,-0.49,c1(nnc(c2cccc(C)c2)o1)NC(=O)c3ccc(cc3)Cl,0.0
59318,CO-ADD:0233188,-0.49,c1(C(=O)Nc(ccc(c2Cl)Cl)c2)c(Cl)c3c(cccc3)s1,0.0
59319,CO-ADD:0233627,-0.49,C12(CC(CC3C1)CC(C3)C2)C(=O)Nc4ccc(cc4C)I,0.0
59320,CO-ADD:0236410,-0.49,[N+](=O)([O-])c1c(Br)ccc(C(=O)c2ccc(c(C)c2)OC)c1,0.0
59321,CO-ADD:0234319,-0.49,c1(c(O)c(\C=N\c(ccc(c2OC)OC)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
59322,CO-ADD:0234708,-0.49,c1(OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(Br)c3)c(Br)cc(cc1Br)Br,0.0
59323,CO-ADD:0229676,-0.49,C1(=Cc2c(OC1=O)ccc(Br)c2)c3csc(N\N=C\c4cccc(CC=C)c4O)n3,0.0
59324,CO-ADD:0236203,-0.49,N12C(S\C(=C/c3cc(Br)ccc3OC)\C1=O)=C(C(c4cc(Br)ccc4OC)C(C#N)=C2N)C#N,0.0
59325,CO-ADD:0229848,-0.49,N(\C(=C/c(ccc(c1OC)OCc2ccccc2)c1)\C(O3)=O)=C3c4ccccc4,0.0
59326,CO-ADD:0236223,-0.49,N12C(S\C(=C/c(cc3)ccc3O)\C1=O)=C(C(c4ccc(cc4)O)C(C(OCC)=O)=C2N)C#N,0.0
59327,CO-ADD:0236562,-0.49,C(C#N)(=C(N)SC(=C1C#N)N)C1c2cccc(Cl)c2Cl,0.0
59328,CO-ADD:0231141,-0.49,C(=O)(Nc1cccc(C)c1)C\C(\C)=N/NC(COc2ccc(cc2Br)C)=O,0.0
59329,CO-ADD:0231445,-0.49,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c4cccc(F)c4,0.0
59330,CO-ADD:0236236,-0.49,c1(C#N)c(C)cc(nc1SCc(cc2)ccc2Cl)C,0.0
59331,CO-ADD:0232961,-0.49,S1(=O)(=O)c(cccc2)c2C(Nc(cccc3[N+](=O)[O-])c3)=N1,0.0
59332,CO-ADD:0232851,-0.49,c1(\N=C\c2ccc(C)o2)sc(c3c1C(N)=O)CCCC3,0.0
59333,CO-ADD:0234438,-0.49,N1(c(cccc2C3=Nc(c4C(=O)O3)cccc4)c2)C(=O)c(c5C1=O)ccc(c5)[N+](=O)[O-],0.0
59334,CO-ADD:0240092,-0.49,C=C1[C@]([C@]([H])(C2=CC=CC=C2)NC3=CC=C(Br)C=C3)([H])CC(COCC4=CC=C(OC)C=C4)(COCC5=CC=C(OC)C=C5)C1,0.0
59335,CO-ADD:0233460,-0.49,c1(c(Br)cc(cc1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)Br)OC(=O)c3cccc(F)c3,0.0
59336,CO-ADD:0228997,-0.49,[C@@]1(C)(CC2)C(C[C@@H](SS[C@@H](CC3[C@@]4(C)CCC5C3CC=C([C@]56C)CC(CC6)OC(C)=O)C4C(C)=O)C1C(C)=O)C(C27)CC=C(CC(CC8)OC(C)=O)[C@@]78C,0.0
59337,CO-ADD:0235989,-0.49,N1=C(SCC(OCC)=O)S\C(=C\c2ccc(cc2Cl)Cl)\C1=O,0.0
59338,CO-ADD:0234612,-0.49,c1(c(OC)cc(c(\C=N\NC(COc2c(C)cccc2C)=O)c1)OC)[N+](=O)[O-],0.0
59339,CO-ADD:0243167,-0.49,C1(C(=O)N\N=C\c(ccc2F)cc2)=NOC(c(cc3OC)cc(c34)OCO4)C1C,0.0
59340,CO-ADD:0243856,-0.49,C1=C(C)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)Nc(cc4)cc(Cl)c4Cl)=C1O,0.0
59341,CO-ADD:0231085,-0.49,S(=O)(=O)(c1ccc(cc1)I)NCC(OC)=O,0.0
59342,CO-ADD:0233046,-0.49,c1(SC)sc2c(ccc(c2)NC(=O)c(cc3)ccc3C(C)(C)C)n1,0.0
59343,CO-ADD:0232997,-0.49,C1(Cc(cc2)ccc2C)(Cc(cc3)ccc3C)C(=O)OC(OC1=O)(C)C,0.0
59344,CO-ADD:0231425,-0.49,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4ccccc4[N+](=O)[O-],0.0
59345,CO-ADD:0243864,-0.49,C1=C(C)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)Nc(cc4)cc(F)c4)=C1O,0.0
59346,CO-ADD:0243584,-0.49,c(cn1)(C(CC2=O)c3cc(OC)c(OCO4)c4c3OC)c(n1C)N2,0.0
59347,CO-ADD:0237207,-0.49,CC(Nc1cc(Cl)ccc1N2CCOCC2)C(=O)N3CCCC(C)C3,0.0
59348,CO-ADD:0237395,-0.5,Nc1ncnc2c1ncn2[C@@H]3O[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O.CC([O-])=O.CC([O-])=O,0.0
59349,CO-ADD:0237227,-0.5,CN(C)CC(=O)NCCN1C(c2ccccc2)c3cc(Cl)ccc3N=C1C,0.0
59350,CO-ADD:0229489,-0.5,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3N\C=C(\C(C)=NN4c5ccc(cc5)C)/C4=O,0.0
59351,CO-ADD:0229491,-0.5,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3N\C=C(\C(C)=NN4c5ccc(cc5)C)/C4=O,0.0
59352,CO-ADD:0236669,-0.5,N1(C(C)C(=O)Nc2scc(c3ccccc3)n2)C(=O)CCC1=O,0.0
59353,CO-ADD:0227619,-0.5,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C/c4cccc(F)c4O,0.0
59354,CO-ADD:0236642,-0.5,c1(C#N)c(SCC(=O)c2ccc(c(OC)c2)OC)nsc1SCC(=O)c3ccc(c(OC)c3)OC,0.0
59355,CO-ADD:0243024,-0.5,c(OC)(c(OC)c1CC2ON=C(CCl)C2)c(OC3)c(O3)c1,0.0
59356,CO-ADD:0243854,-0.5,C1=C(C)OC(=O)C(C(c(c(OC)c2c3OCO2)cc3OC)CC(=O)Nc(cc4)cc(OCO5)c45)=C1O,0.0
59357,CO-ADD:0243113,-0.5,c(\C=N/NC(=S)N)(c1OC)c(CC2CC(c(c3)ccc(F)c3)=NO2)c(OC)c(OCO4)c14,0.0
59358,CO-ADD:0243121,-0.5,c(\C=C(/C#N)\C#N)(c1OC)c(CC(C)Cl)c(c2c1OCO2)OC,0.0
59359,CO-ADD:0237149,-0.5,COCC(C)NC(=O)CSc1ncnc2sc(cc12)-c1ccccc1,0.0
59360,CO-ADD:0237318,-0.5,CCCNC(=O)N1CCC2(CC1)CC(=O)c3cc(C)ccc3O2,0.0
59361,CO-ADD:0237103,-0.5,Clc1ccc(CN2CCN(CC2)C(=O)NCc3occc3)s1,0.0
59362,CO-ADD:0237188,-0.5,O[C@H]([C@H]1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F.Cl,0.0
59363,CO-ADD:0237140,-0.5,NCCCC(N)(C(F)F)C(=O)O.O.Cl,0.0
59364,CO-ADD:0237224,-0.5,C1CN=C(N1)c2ccc(cc2)c3cc(on3)c4cccc(c4)C5=NCCN5,0.0
59365,CO-ADD:0233014,-0.5,C1(=O)N(c2ccc(cc2)OCc3ccccc3)Cc(ccc(OC)c4OC)c14,0.0
59366,CO-ADD:0236233,-0.5,c1(SCc2ccccc2Cl)nc(C)cc(C)c1C#N,0.0
59367,CO-ADD:0233055,-0.5,N12C(=NCC1)SC=C2c3ccc(cc3)OC.Cl,0.0
59368,CO-ADD:0243580,-0.5,c(c(OC)c1)cc(CC2ON=C(c(c3)cc(OC)c4c3OCO4)C2)c1,0.0
59369,CO-ADD:0243644,-0.5,c(C)(cc1C)nc2c1c(n(ccc3)c3)c(C(=O)N\N=C\c(cc4OC)cc5c4OCO5)s2,0.0
59372,CO-ADD:0237241,-0.5,CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5,0.0
59373,CO-ADD:0237246,-0.5,CNC(=O)CNc1nc(nc2scc(c3ccccc3)c12)c4ccccn4,0.0
59374,CO-ADD:0237084,-0.5,COc1ccc(cc1OC)c2onc(n2)c3cccc(NC(=O)Cc4ccc(F)cc4)c3,0.0
59375,CO-ADD:0237278,-0.5,COc1ccc(cc1)c2cncc3ccc(nc23)C(=O)NCCCn4ccnc4,0.0
59376,CO-ADD:0237359,-0.5,Cc1ccccc1C(=O)N2N=C(Nc3ccccc3)SC2(C)C,0.0
59377,CO-ADD:0237365,-0.5,COc1ccc(cc1)-c1cnc2cnc(cn12)-c1cccc(OC(C)C)c1,0.0
59378,CO-ADD:0236563,-0.5,c1(OC(N)=C(C2c3cccc(Cl)c3Cl)C#N)c2c(n[nH]1)C,0.0
59379,CO-ADD:0233007,-0.5,C(C)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc5ccccc5Cl)C24,0.0
59380,CO-ADD:0231520,-0.5,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N\NC(=O)C(O)c3ccccc3)Br,0.0
59381,CO-ADD:0232950,-0.5,C1(C)(C(OCC)=O)\C(=N/Nc(cc2)ccc2[N+](=O)[O-])\C(C(=O)N1c3ccccc3)=O,0.0
59382,CO-ADD:0236798,-0.5,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c(cc6)ccc6[N+](=O)[O-])C(OCC)=O,0.0
59384,CO-ADD:0231547,-0.5,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cccc3OC(=O)c4cccc(F)c4)c3,0.0
59385,CO-ADD:0243610,-0.5,c(N1)(nc2)c(C(c(cc3c4OCO3)cc4OC)CC1=O)n2c(cc5)ccc5C(F)(F)F,0.0
59386,CO-ADD:0243010,-0.5,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCc(o4)cc(n4)c5ccc(cc5)OC)O3)OC.Cl,0.0
59387,CO-ADD:0243611,-0.5,c(NC(C1)=O)(nc2)c(C1c(c(OC)c3c4OCO3)cc4OC)n2c(cc5)ccc5C(F)(F)F,0.0
59388,CO-ADD:0243035,-0.5,c(c1OC)(c(Cl)c(c(OCO2)c12)OC)c(noc3C4(CCCCC4)O)c3,0.0
59390,CO-ADD:0243521,-0.5,C12=C(C(CC(=O)N1c3ccc(cc3)F)c(cc4OC)cc(c45)OCO5)SC(=O)N2C,0.0
59391,CO-ADD:0237366,-0.5,CC(Nc1nncc(n1)c2ccc(cc2)C(F)(F)F)c3cn(C)nc3C,0.0
59392,CO-ADD:0237309,-0.5,CC(C)(C)CN1C(=NC(C1=O)(c2ccccc2)c3ccccc3)N,0.0
59393,CO-ADD:0237311,-0.5,Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)CN5CCOCC5)cc34)cc2Cl)c1,0.0
59394,CO-ADD:0230908,-0.5,c(cc(Cl)cc1Cl)(\C=N\c2ccc(c(cccn3)c23)Br)c1O,0.0
59395,CO-ADD:0236761,-0.5,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c3c(OC)ccc(OC)c3,0.0
59396,CO-ADD:0232879,-0.5,S1(=O)(=O)c2c(C(NCc3ccccc3)=N1)ccc(c2)[N+](=O)[O-],0.0
59397,CO-ADD:0233270,-0.5,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(c2ccccc2)=O,0.0
59398,CO-ADD:0236681,-0.5,S(=O)(=O)(c1ccc(cc1)NC(=O)c(cccc2NC(=O)C(F)(F)F)c2)Nc3nc(C)cc(C)n3,0.0
59399,CO-ADD:0234182,-0.5,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3[N+](=O)[O-])c4cc(Cl)ccc4Cl,0.0
59400,CO-ADD:0236406,-0.51,N1(c(cc2)ccc2C(OCCCCC)=O)C(=O)c3c(cc(c(Cl)c3)Cl)C1=O,0.0
59401,CO-ADD:0231535,-0.51,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(=O)C(O)c2ccccc2)c3ccccc3Cl,0.0
59402,CO-ADD:0230990,-0.51,n1(c(C)c(nn1)\C(\C)=N\N=C\c2ccccc2)c3nonc3N,0.0
59403,CO-ADD:0233300,-0.51,S(=O)(=O)(Nc1cccc(Cl)c1)C2=C(C)NC(NC2=O)=O,0.0
59404,CO-ADD:0231483,-0.51,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c4ccccc4Br,0.0
59405,CO-ADD:0231182,-0.51,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c(ccc(c3C)C)c3,0.0
59406,CO-ADD:0231466,-0.51,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cc3)cc(c3OC(=O)c4ccc(cc4)Br)OCC,0.0
59409,CO-ADD:0243841,-0.51,c(C(C)=O)(c1Br)c(OC)c(OCO2)c2c1OC,0.0
59410,CO-ADD:0243666,-0.51,C(\C(\C#N)=C/c(c(OC)c1OC)cc(OC)c1OC)#N,0.0
59411,CO-ADD:0243690,-0.51,N(CCO1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3sccc3)C2c4c(OC)c(OCO5)c5c(OC)c4,0.0
59412,CO-ADD:0243722,-0.51,N(CC1)(CCO1)CCN(C(=O)C(O)=C2C(=O)c3cc(OC)c(OC)cc3)C2c(cc4c5OCO4)c(OC)c5OC,0.0
59413,CO-ADD:0237416,-0.51,CC(C)(C)C(=O)N(CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C2CCCCCC2,0.0
59414,CO-ADD:0237336,-0.51,CN1CCN(CCCOc2ncc(Nc3ncc(nc3C(=O)N)c4ccc(c(F)c4)C(F)(F)F)cn2)CC1,0.0
59415,CO-ADD:0237249,-0.51,C(Nc1cccnc1)c2ccc(s2)c3cc4ccncc4cc3OC5CCNCC5.Cl,0.0
59416,CO-ADD:0237422,-0.51,CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2,0.0
59417,CO-ADD:0237261,-0.51,CC(=CCC\C(=C/CNCCNC1C2CC3CC(CC1C3)C2)\C)C,0.0
59418,CO-ADD:0233264,-0.51,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(=O)c2ccc(cc2)Br,0.0
59419,CO-ADD:0236730,-0.51,n1(nc(s2)SCCSCCCC)c2nnc1SCCSCCCC,0.0
59420,CO-ADD:0231090,-0.51,C(=O)(C\C(\C)=N\NC(COc1ccccc1C)=O)Nc2c(C)ccc(Cl)c2,0.0
59421,CO-ADD:0234538,-0.51,n1c(cccc2)n2cc1c(ccc(c3[N+](=O)[O-])OC)c3,0.0
59422,CO-ADD:0233256,-0.51,C(=O)(c1ccc(cc1)F)N\N=C(/C)\CC(NCC=C)=O,0.0
59423,CO-ADD:0233248,-0.51,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1Br)c(cccn2)c2,0.0
59424,CO-ADD:0236157,-0.51,N1=NC(CN1c(cc2)ccc2[N+](=O)[O-])C(OC)=O,0.0
59425,CO-ADD:0233008,-0.51,C(=O)(c(cc1)ccc1C(c2ccccc2)=O)NCc(ccc(c34)OCO3)c4,0.0
59426,CO-ADD:0231140,-0.51,N1(C(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc(cc3)C)C(N1C(=O)c(c4)cc(cc4[N+](=O)[O-])[N+](=O)[O-])c5ccccc5Cl,0.0
59427,CO-ADD:0231617,-0.51,[N+](=O)([O-])c1cc2c(cc1\C=N\c(cc3)ccc3Oc(cc4)ccc4\N=C\c5cc(OCO6)c6cc5[N+](=O)[O-])OCO2,0.0
59428,CO-ADD:0243696,-0.51,n(c1c(c2c3cc(OCO4)c4c(OC)c3)SC(N1CC(=O)OC)=O)c(c2cn5)n5C(C)C,0.0
59429,CO-ADD:0243704,-0.51,N1(CCCC1)CCN(C(=O)C(O)=C2C(=O)c3cc(OC)ccc3)C2c4cc(OCO5)c5c(OC)c4,0.0
59430,CO-ADD:0243509,-0.51,N1(C(SC(C(c2cc(OCO3)c3c(OC)c2OC)CC(=O)N4c(cc5)ccc5)=C14)=O)CC(=O)OC,0.0
59431,CO-ADD:0243517,-0.51,C12=C(C(CC(=O)N1c3cccc(Cl)c3)c(cc(c(OCO4)c45)OC)c5OC)SC(=O)N2CC(OC)=O,0.0
59432,CO-ADD:0243845,-0.51,C1=C(C)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)Nc(cc4)ccc4C(F)(F)F)=C1O,0.0
59433,CO-ADD:0243803,-0.51,c(C)(cc1C)nc2c1c3c(C(=O)NC(c(c(OC)c4OC)cc(OCO5)c45)=N3)s2,0.0
59434,CO-ADD:0237184,-0.52,COc1cc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC,0.0
59435,CO-ADD:0230926,-0.52,[n+]1(noc([O-])n1)c2n[nH]cn2,0.0
59436,CO-ADD:0236762,-0.52,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2c(C)ccc(Cl)c2)c3ccc(cc3OC)OC,0.0
59437,CO-ADD:0232907,-0.52,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
59438,CO-ADD:0234832,-0.52,c1(c(Br)cc(cc1\C=N\NC(COc2c(C)cccc2C)=O)Br)OC(=O)c3cccc(F)c3,0.0
59439,CO-ADD:0230935,-0.52,S(c1ccccc1)(=O)(=O)N(CC(=O)NCc(cc2)ccc2C)c3ccc(cc3OC)OC,0.0
59440,CO-ADD:0227616,-0.52,c1(c(ccc(c1)[N+](=O)[O-])Oc(cc2)ccc2\C=N\c(cccc3c4oc(c5n4)cc(c(C)c5)C)c3)[N+](=O)[O-],0.0
59441,CO-ADD:0234178,-0.52,c(\C=N\NC(COc1c(C)cccc1C)=O)(cc(Br)cc2Br)c2OC,0.0
59442,CO-ADD:0231754,-0.52,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(cc4)ccc4Br,0.0
59443,CO-ADD:0229696,-0.52,c1(NCC(=O)N\N=C\c2ccc(cc2Cl)Cl)c(Br)cc(cc1Br)Cl,0.0
59444,CO-ADD:0233043,-0.52,C1(c2cccc(Oc(cc3)ccc3C4=Nc(c5C(=O)O4)cccc5)c2)=Nc(c6C(=O)O1)cccc6,0.0
59445,CO-ADD:0236593,-0.52,C1(C2c3c(Cl)ccc(c3)[N+](=O)[O-])=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
59446,CO-ADD:0236775,-0.52,c(C#N)(c1c2ccccc2)c(\N=C\c(cc(I)cc3I)c3O)oc1c4ccccc4,0.0
59447,CO-ADD:0236647,-0.52,C(C(OCC)=O)(=C(C)NC(=C1C#N)S)C1c2cccs2,0.0
59448,CO-ADD:0243194,-0.52,C(C1ON=C(c(c2)ccc(Cl)c2)C1)c(c3)cc(OC)c4c3OCO4,0.0
59449,CO-ADD:0243725,-0.52,N1(CCCC1)CCN(C(=O)C(O)=C2C(=O)c3cc(OC)c(OC)cc3)C2c(cc(OC)c4c5OCO4)c5,0.0
59450,CO-ADD:0243925,-0.52,c(cccc1)(c12)OC(=O)C(C(c(cc(OCO3)c34)cc4OC)CC(=O)NCCc(cc5)ccc5OC)=C2O,0.0
59451,CO-ADD:0243093,-0.52,c(\C=N/NC(c(c1)c(O)ccc1)=O)(c2OC)c(CC3CC(C(OCC)=O)=NO3)c(OC)c(OCO4)c24,0.0
59452,CO-ADD:0243178,-0.52,C(C1ON=C(C(=O)N\N=C\c(c2)c(F)ccc2)C1)c(c3OC)cc(OC)c4c3OCO4,0.0
59454,CO-ADD:0243772,-0.52,N1(CCCC1)CCN(C(=O)C(O)=C2C(=O)c3cc4c(OCCO4)cc3)C2c(cc(OC)c5c6OCO5)c6,0.0
59455,CO-ADD:0243788,-0.52,c(cc1)(OC(=O)C(C(c(c(OC)c2c(OCO2)c3OC)c3)C(C(=O)Nc(ccc(Cl)c4)c4)O5)=C56)c6cc1,0.0
59457,CO-ADD:0243834,-0.52,c(OC=C(c(cc1c(OCO1)c2OC)c2OC)C3=O)(c34)cc(OC)c(OC)c4,0.0
59458,CO-ADD:0231432,-0.52,C(=O)(N\N=C\c(cc1)ccc1O)c(ccc(c23)OCCO2)c3,0.0
59459,CO-ADD:0236568,-0.52,C1(C#N)(C#N)[C@H](c2cccc(F)c2F)[C@]([H])(C3)C(C(C#N)=C1N)=CCN3C,0.0
59460,CO-ADD:0234114,-0.52,C1(C)(CC2)C(CC[C@]1(O)C(=O)COC(C)=O)C(C23)CCC(CC(=O)CC4)C34C,0.0
59461,CO-ADD:0232921,-0.52,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccccc2OC)c3ccc(cc3Cl)Cl,0.0
59462,CO-ADD:0232884,-0.52,S1(=O)(=O)c(cccc2)c2C(N(C)c3ccccc3)=N1,0.0
59463,CO-ADD:0232876,-0.53,c1(C(=O)c2ccc(cc2C)C)c(N)c(c3s1)ccc(C)n3,0.0
59464,CO-ADD:0231041,-0.53,C(=O)(C\C(\C)=N\NC(COc1ccccc1C)=O)Nc2ccccc2OC,0.0
59465,CO-ADD:0236825,-0.53,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
59466,CO-ADD:0236777,-0.53,S(=O)(=O)(NCC1CCCO1)c2ccc(c3c2)cccc3,0.0
59467,CO-ADD:0233233,-0.53,N1C(=O)NC(C)(c2ccc(cc2)OCC(C)C)C1=O,0.0
59468,CO-ADD:0233209,-0.53,N(C)(c1c2cccc1)C(=O)C=C2c3ccccc3,0.0
59469,CO-ADD:0231561,-0.53,c1(c(Br)cc(cc1\C=N\NC(COc2ccccc2C)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
59470,CO-ADD:0234629,-0.53,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c3ccc4c(c(ccc5)CC4)c35,0.0
59471,CO-ADD:0232985,-0.53,N1(\N=C\c(ccc(c2OC)O)c2)C(=O)c3c(c4C1=O)c(c(CC5)cc3)c5cc4,0.0
59472,CO-ADD:0231054,-0.53,c1(cc(ccc1OC(=O)\C=C\c2ccccc2)Cc(ccc(c3\C=N/c4ccc(cc4C)C)OC(=O)\C=C\c5ccccc5)c3)\C=N\c6ccc(cc6C)C,0.0
59473,CO-ADD:0233223,-0.53,C1(OC)(COc(c2O1)cccc2)C(OC)=O,0.0
59474,CO-ADD:0231560,-0.53,C(=C/c(ccc(c1[N+](=O)[O-])Br)c1)(/C(=O)NN2c3ccc(c(C)c3)C)\C2=O,0.0
59475,CO-ADD:0243267,-0.53,c1(C2c(cc(c3c4OCO3)OC)c4)c(n[nH]c1CC(OC)=O)OC(N)=C2C#N,0.0
59477,CO-ADD:0243419,-0.53,c(OC1)(c(OC)c(N)c2C#N)c(O1)c2OC,0.0
59478,CO-ADD:0244008,-0.53,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(c6c(C(=O)OCCc7ccc(OCCO[N+]([O-])=O)cc7)cccc6)=O,0.0
59479,CO-ADD:0243691,-0.53,n(cc1)cn1CCCN(C(=O)C(O)=C2C(=O)c3cc(OC)ccc3)C2c(c4)c(OC)c(OC)c(OCO5)c45,0.0
59482,CO-ADD:0243453,-0.53,c(OC1)(c(OC)cc2C#N)c(O1)c2[N+](=O)[O-],0.0
59483,CO-ADD:0243461,-0.53,c(C1c2c(OC)c(OC)c3c(OCO3)c2)(n(c4)c5ccc(cc5)F)c(NC(C1)=O)c4C(O)=O,0.0
59484,CO-ADD:0243270,-0.53,COc(c1c2OCO1)c(\C=C\C(c3ccc(OC)cc3F)=O)cc2OC,0.0
59485,CO-ADD:0232919,-0.53,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccccc2C)c3ccc(cc3Cl)Cl,0.0
59486,CO-ADD:0231129,-0.53,C(=O)(c1ccc(cc1)COc(cc2)ccc2C)Nc(cc3)ccc3I,0.0
59487,CO-ADD:0234550,-0.53,c(cc1)ccc1CN(C(N(Cc2ccccc2)C3C4N(Cc5ccccc5)C67)C(N3Cc8ccccc8)N6Cc9ccccc9)C7N4Cc%10ccccc%10.Cl.Cl,0.0
59489,CO-ADD:0227625,-0.53,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c4cccc(F)c4O,0.0
59490,CO-ADD:0236586,-0.53,C12(c3c(NC1=O)ccc(c3)[N+](=O)[O-])C(C#N)=C(N)OC(C)=C2C(OCC)=O,0.0
59491,CO-ADD:0229585,-0.53,n12c(nc(cc1C(F)(F)F)c3ccccc3)cc(C(=O)Nc4sc(c(C)c4C(OCC)=O)C(OCC)=O)n2,0.0
59492,CO-ADD:0227924,-0.53,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(ccc4c5ccc(cc5Cl)Cl)o4,0.0
59493,CO-ADD:0234410,-0.54,n1(c2c(c(cccc3)c13)cccc2)\N=C\c4c5c(cccc5)cc(cccc6)c46,0.0
59494,CO-ADD:0234226,-0.54,n1c2c(oc1c3ccc(cc3)\N=C\c(cc4)ccc4Br)cccc2C,0.0
59495,CO-ADD:0231459,-0.54,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(ccc(c4Cl)Cl)c4,0.0
59496,CO-ADD:0231430,-0.54,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(ccc4c(ccc(c5Cl)Cl)c5)o4,0.0
59497,CO-ADD:0227537,-0.54,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(cc(Br)cc4Br)c4O,0.0
59498,CO-ADD:0236472,-0.54,c1(SCC(=O)Nc2ccccc2Br)sc(c3n1)cccc3,0.0
59499,CO-ADD:0234436,-0.54,C(=C/c(cc1)ccc1C(O)=O)(/C2=O)\C(c3ccccc3)=NO2,0.0
59500,CO-ADD:0233695,-0.54,N(CC1)(CCC1(C)c(ccn2)o2)C(=O)CN(C)C,0.0
59501,CO-ADD:0234735,-0.54,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc3c(C)cccc3C)=O,0.0
59502,CO-ADD:0227670,-0.54,c1(N2CCCCC2)nc(c3ccccc3)cc(c4ccc(cc4)OC)c1C#N,0.0
59503,CO-ADD:0227593,-0.54,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C/c(cc(Br)cc4[N+](=O)[O-])c4O,0.0
59504,CO-ADD:0243997,-0.54,C1C[C@](C)(C(C(=O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)C1=O,0.0
59505,CO-ADD:0244021,-0.54,C/C(C)=C/CC/C(C(OCC1=CC=CC=C1)=O)=C2[C@@H](OC(C)=O)C[C@]3(C)[C@@]4(C)CCC5[C@H](C)[C@H](OC(C6=CC=CC=C6C(NC7=CC=C(N)C=C7)=O)=O)CC[C@]5(C)C4[C@H](O)CC3/2,0.0
59506,CO-ADD:0244004,-0.54,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)On2nnc(cccc3)c23)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C4)[C@]45C)[C@]5(C)CC6)C6[C@H](C)[C@@H]1O,0.0
59508,CO-ADD:0243443,-0.54,COc1cc(Cc2nc(CCC(=O)O)on2)c(OC)c3c1OCO3,0.0
59509,CO-ADD:0243852,-0.54,C1=C(C)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)Nc(cc4)ccc4Cl)=C1O,0.0
59511,CO-ADD:0243564,-0.54,c(c1C(=O)NN)c(OC)c(OCO2)c2c1OC,0.0
59513,CO-ADD:0236757,-0.54,S(c1ccccc1)(=O)(=O)N(CC(NCCc(ccc(c2OC)OC)c2)=O)c3c(OC)ccc(OC)c3,0.0
59514,CO-ADD:0230995,-0.54,C(=O)(Nc(cccn1)c1)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
59515,CO-ADD:0233244,-0.54,C(c1ccccc1)(=O)N\N=C(/C)\CC(NCC=C)=O,0.0
59516,CO-ADD:0231471,-0.54,c1(sc(c2n1)cccc2)c3ccc(cc3O)\N=C\c(ccc(c4Cl)Cl)c4,0.0
59517,CO-ADD:0236284,-0.54,N1(c(ccc(c23)c4c(cccc4)o2)c3)C(=O)c(c5C1=O)ccc(C(OCC)=O)c5,0.0
59518,CO-ADD:0234812,-0.54,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N\NC(=O)Cc3cccc(cccc4)c34)Br,0.0
59519,CO-ADD:0236332,-0.54,c1(C#N)c(SCC(=O)Nc(cc2)ccc2[N+](=O)[O-])nsc1SCC(=O)Nc(cc3)ccc3[N+](=O)[O-],0.0
59520,CO-ADD:0229934,-0.54,O(c1c(C)cccc1C)C(=O)c(cc2)ccc2C(=O)Oc3c(C)cccc3C,0.0
59521,CO-ADD:0234565,-0.54,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2C(C)=O)c3cccc(Br)c3,0.0
59522,CO-ADD:0231178,-0.54,c1(OC)cc(O)ccc1\C=N\NC(Cc(cc2)ccc2Cl)=O,0.0
59523,CO-ADD:0231440,-0.54,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3Cl)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
59524,CO-ADD:0232986,-0.54,N1(c2ccccc2)C(=O)c3c(C(c4ccc(cc4)CC)=N1)cccc3,0.0
59525,CO-ADD:0233390,-0.54,S(=O)(=O)(c1ccc(cc1)C)Nc2cccc(cccn3)c23,0.0
59526,CO-ADD:0234778,-0.54,c(c1SC)(c(SC)sn1)C(=O)Nc(cc2)ccc2Br,0.0
59527,CO-ADD:0295758,-0.54,c1(c(C)c(sc1NC(COc(cc2)ccc2C(C)(C)C)=O)C)C(=O)OC(C)C,0.0
59528,CO-ADD:0294922,-0.55,c1(N(CC2)CCO2)nc(OC)nc(SCCO)n1,0.0
59529,CO-ADD:0164655,-0.55,CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1.CS(=O)(=O)O,0.0
59530,CO-ADD:0164686,-0.55,C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0.0
59531,CO-ADD:0164730,-0.55,CCOC(=O)OC(C)OC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)Nc1ccccn1,0.0
59532,CO-ADD:0164746,-0.55,CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1,0.0
59533,CO-ADD:0226477,-0.55,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc4ccc(c(OC)c4)OC,0.0
59534,CO-ADD:0226998,-0.55,n12c(ccc(N(C)CCCC)n1)nnc2CCc3onc(c(cc4)ccc4C(F)(F)F)n3,0.0
59535,CO-ADD:0222717,-0.55,c(C(OC)=O)(cc(OC)c(c1OC)OC)c1N,0.0
59536,CO-ADD:0220083,-0.55,N1(CNc2ccccc2C(O)=O)C(=O)c3c(cccc3)C1=O,0.0
59537,CO-ADD:0219551,-0.55,C(/O)(\c1ccc(cc1)C)=C/C=N/c2cccc(C)c2,0.0
59538,CO-ADD:0219113,-0.55,N1(CN(CC2)CCO2)c3c(SC1=S)cccc3,0.0
59539,CO-ADD:0219646,-0.55,N(C(CCC(=O)N\N=C\c1cccc(Cl)c1)=O)c2ccc(cc2C)I,0.0
59540,CO-ADD:0218904,-0.55,C(=O)(c1ccc(cc1)OC)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(OCC)=O,0.0
59541,CO-ADD:0219601,-0.55,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc2ccc(cc2C)Cl,0.0
59542,CO-ADD:0219535,-0.55,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c(ccc(c2O)O)c2,0.0
59543,CO-ADD:0220457,-0.55,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(cc3)ccc3OC,0.0
59544,CO-ADD:0221221,-0.55,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Br)=C(O)C(N2c(cccc4C(F)(F)F)c4)=O,0.0
59545,CO-ADD:0215337,-0.55,c(C#N)(c1c2ccc(cc2)F)c(SCC(=O)Nc(cccc3[N+](=O)[O-])c3)nc(N)c1C#N,0.0
59546,CO-ADD:0215761,-0.55,N1(c2ccc(cc2)OC)C(=O)CC(N3CCC(CC3)C)C1=O,0.0
59547,CO-ADD:0214911,-0.55,N1(c2cccc(cccc3)c23)C(=O)c(c4)c(c(c5)C1=O)c(cc4[N+](=O)[O-])cc5[N+](=O)[O-],0.0
59548,CO-ADD:0214919,-0.55,C(=O)(N1CCC(CC1)C)C(=O)N\N=C\c2cccc(cccc3)c23,0.0
59549,CO-ADD:0215609,-0.55,C(=O)(C\C(\C)=N\NC(COc(cc1)ccc1OC)=O)Nc2cccc(cccc3)c23,0.0
59550,CO-ADD:0214937,-0.55,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2C)c3ccc(c(OC)c3)OC,0.0
59551,CO-ADD:0215633,-0.55,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)N\N=C\c3ccccc3C(F)(F)F,0.0
59552,CO-ADD:0215762,-0.55,C(=O)(C(Cc1ccccc1)NC(CNC(CNC(=O)OC(C)(C)C)=O)=O)NC(CCSC)C(O)=O,0.0
59553,CO-ADD:0215778,-0.55,C1(Nc2ccc(cc2[N+](=O)[O-])C)OC(CO)C(C(O)C1O)O,0.0
59554,CO-ADD:0165995,-0.55,C(=O)(Nc(cc1)ccc1I)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
59555,CO-ADD:0164384,-0.55,Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1,0.0
59556,CO-ADD:0164860,-0.55,COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1.OC(=O)/C=C/C(=O)O,0.0
59557,CO-ADD:0164458,-0.55,COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1,0.0
59558,CO-ADD:0164781,-0.55,CCCc1c(OCCCCc2nn[nH]n2)ccc(C(C)=O)c1O,0.0
59559,CO-ADD:0218330,-0.55,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c2ccccc2O,0.0
59560,CO-ADD:0164716,-0.55,C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O,0.0
59561,CO-ADD:0164740,-0.55,CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.OC(=O)c1ccccc1,0.0
59563,CO-ADD:0164838,-0.56,CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl,0.0
59564,CO-ADD:0164508,-0.56,C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O,0.0
59565,CO-ADD:0164689,-0.56,CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12,0.0
59566,CO-ADD:0225263,-0.56,N12C(C=CC(SC(C)C)=N1)=NN(CC(=O)Nc3ccc(cc3Cl)F)C2=O,0.0
59567,CO-ADD:0226615,-0.56,c1(nnc2SC(C)C(=O)Nc(cc3)ccc3OC)n2C=CN(c4ccc(cc4)OCC)C1=O,0.0
59568,CO-ADD:0225319,-0.56,c12n(c3c(cccc3)nc1N4CCCCC4)c(nn2)CCC(=O)NCc(cc5)ccc5F,0.0
59569,CO-ADD:0226781,-0.56,c1(C2=O)n(c(nn1)CCC)c3c(cccc3)N2CC(=O)Nc(cc4)ccc4NC(C)=O,0.0
59570,CO-ADD:0225526,-0.56,n(c1c(cccc1)nc2SCc3c(C)oc(c4ccc(cc4)OC)n3)(c(C(C)C)nn5)c25,0.0
59571,CO-ADD:0219272,-0.56,c1(c2cc(Br)ccc2O)[nH]c(c(c3ccccc3)n1)c4ccccc4,0.0
59572,CO-ADD:0219446,-0.56,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CCC(=O)Nc2cccc(Cl)c2C)=O,0.0
59573,CO-ADD:0219462,-0.56,C(\C(\C)=N\NC(Cc(cc1)ccc1c2ccccc2)=O)C(NCCc(ccc(c3OC)OC)c3)=O,0.0
59574,CO-ADD:0222060,-0.56,C1(C(=O)OCc2ccccc2)=C(C)NC(NC1c3cccc(F)c3)=O,0.0
59575,CO-ADD:0222755,-0.56,c1(c(\C=N\NC(=O)Cc2cccc(cccc3)c23)ccc(OC(C)=O)c1OC)[N+](=O)[O-],0.0
59576,CO-ADD:0220647,-0.56,c1(\C=N\NC(COc2c(C(C)C)cc(c(C)c2Br)Br)=O)c(Br)cc(c(O)c1Br)Br,0.0
59577,CO-ADD:0220467,-0.56,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(ccc(c2[N+](=O)[O-])O)c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
59578,CO-ADD:0220418,-0.56,c1(\C=N\NC(CNc(cc2)ccc2Cl)=O)cc(OC)ccc1O,0.0
59579,CO-ADD:0222451,-0.56,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2ccccc2Br)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
59580,CO-ADD:0219484,-0.56,C(=O)(N\N=C\c1cccc(OC)c1O)C(=O)Nc2ccc(cc2C)Cl,0.0
59581,CO-ADD:0220730,-0.56,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2cccc(O)c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
59582,CO-ADD:0218899,-0.56,C(=O)(c1ccc(cc1)OC)Oc2ccccc2\C=N\Nc3ccccc3,0.0
59583,CO-ADD:0219985,-0.56,N1(CNc(cc2)ccc2OC)C(=O)CCC1=O,0.0
59584,CO-ADD:0220016,-0.56,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)N\N=C\c2ccc(cc2Cl)Cl,0.0
59585,CO-ADD:0219177,-0.56,C(NCCOc1cccc(cccc2)c12)(=O)Nc(cc3)ccc3OCCCCCCCCCC,0.0
59586,CO-ADD:0219437,-0.56,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCC(=O)Nc2cccc(Cl)c2C)=O)O)c1,0.0
59587,CO-ADD:0220856,-0.56,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc2ccccn2,0.0
59588,CO-ADD:0165904,-0.56,C(=C(/C=N/Nc(cc1)ccc1C(OCC)=O)\c(cccc2[N+](=O)[O-])c2)(/C3=O)\C(=O)N(N3c4ccccc4)c5ccccc5,0.0
59589,CO-ADD:0166181,-0.56,[N+](=O)([O-])c1cccc(c1)\C=N\NC(COc(ccc(c2C)C)c2)=O,0.0
59590,CO-ADD:0165871,-0.56,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C/c(cc2)ccc2C,0.0
59591,CO-ADD:0166273,-0.56,n1(CC)c2c(c(cc(cc3)NC(=O)c4cccs4)c13)cccc2,0.0
59592,CO-ADD:0166376,-0.56,C(OCc(cc1)ccc1OC)(=O)N\N=C(/C)\CC(=O)NC(C)CC,0.0
59593,CO-ADD:0166669,-0.56,C(C#N)(C1c2ccc(cc2)CC)=C(N)OC(CCCC3=O)=C13,0.0
59594,CO-ADD:0166175,-0.56,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3OCc4ccccc4,0.0
59595,CO-ADD:0292643,-0.56,c12c(sc(CN3C)c1CC3)NC(c4ccc(cc4)Br)NC2=O,0.0
59596,CO-ADD:0295482,-0.56,n1c(c2ccccc2)c3c(c(N\N=C\C(\Br)=C\c4ccccc4)n1)cccc3.Br,0.0
59597,CO-ADD:0294052,-0.56,c12c(ccc3c1OC(=O)C=C3C)occ2Nc(cc4)ccc4NC(C)=O,0.0
59598,CO-ADD:0164383,-0.56,CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.Cl,0.0
59600,CO-ADD:0164843,-0.57,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O,0.0
59601,CO-ADD:0164497,-0.57,Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O,0.0
59602,CO-ADD:0164465,-0.57,CCC1(C(=O)NCNC1=O)c1ccccc1,0.0
59603,CO-ADD:0164772,-0.57,CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[Na+],0.0
59604,CO-ADD:0218517,-0.57,C(=O)(N\N=C\c(cc1)ccc1F)C(=O)Nc2ccccc2CC,0.0
59605,CO-ADD:0218029,-0.57,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c4cc(C)cc(Br)c4O,0.0
59606,CO-ADD:0218462,-0.57,c1(OC)c(OC)cc(cc1OC)\C=N/NC(=O)c(cccn2)c2,0.0
59607,CO-ADD:0225623,-0.57,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccc(cc4F)Br)=O,0.0
59608,CO-ADD:0225456,-0.57,c12n(ccn(c(nn3)CCC(=O)NCc(ccc(c45)OCO4)c5)c13)nc(c6ccc(cc6)OC)c2,0.0
59609,CO-ADD:0222596,-0.57,C(=O)([O-])\C=C\c(cc1)ccc1OC(C)C,0.0
59610,CO-ADD:0222502,-0.57,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)ccc2OCC,0.0
59611,CO-ADD:0222531,-0.57,C(=O)(NCC(=O)N\N=C\c1ccccc1)c2ccco2,0.0
59612,CO-ADD:0220607,-0.57,c1(cc(Cl)cc(\C=N\NC(=O)\C(=C\c2ccccc2O)\NC(c3ccccc3)=O)c1O)[N+](=O)[O-],0.0
59613,CO-ADD:0220588,-0.57,C(=N/NC(=O)\C(=C\c1ccccc1O)\NC(c2ccccc2)=O)(/c3c(N4C)cccc3)\C4=O,0.0
59614,CO-ADD:0220080,-0.57,c1(NC(=O)C(Cl)(Cl)Cl)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
59615,CO-ADD:0221010,-0.57,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2ccc(cc2O)C,0.0
59616,CO-ADD:0222328,-0.57,n1c2c(oc1c3cccc(Br)c3)ccc(c2)\N=C\c4cccc(I)c4O,0.0
59617,CO-ADD:0219727,-0.57,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCC(=O)Nc2cccc(Br)c2)=O,0.0
59618,CO-ADD:0218927,-0.57,C(=O)(C\C(\C)=N\NC(C(C)C)=O)Nc1cccc(Cl)c1C,0.0
59619,CO-ADD:0218921,-0.57,C(=O)(C\C(\C)=N\NC(CC)=O)Nc1cccc(Cl)c1C,0.0
59620,CO-ADD:0219603,-0.57,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc2c(C)ccc(Cl)c2,0.0
59621,CO-ADD:0166718,-0.57,C(C(OCC)=O)(C1c2ccc(cc2)C)=C(c3ccccc3)OC(N)=C1C#N,0.0
59622,CO-ADD:0166418,-0.57,N1(CNc(cc2)ccc2Cl)C(=O)\C(\SC1=S)=C\c(cc3)ccc3C(OC)=O,0.0
59623,CO-ADD:0166049,-0.57,[N+](=O)([O-])c(ccc(c1NC(=O)C\C(\C)=N\NC(COc(cc2)ccc2OC)=O)C)c1,0.0
59624,CO-ADD:0166092,-0.57,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(ccc2c3ccc(cc3)I)o2,0.0
59625,CO-ADD:0166592,-0.57,C(=C\c1ccccc1)(/NC(C)=O)\C(NCCCCCCC)=O,0.0
59626,CO-ADD:0226877,-0.57,c12n(c3c(cccc3)nc1SCC(=O)Nc4ccc(cc4F)F)c(nn2)C,0.0
59627,CO-ADD:0226502,-0.57,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCC#N,0.0
59628,CO-ADD:0226590,-0.57,c1(nnc2SC(C)C(=O)Nc(cc3)ccc3OC)n2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
59629,CO-ADD:0225982,-0.57,n12c(ccc(c3ccccc3)n1)nnc2CCC(=O)NCc(ccc(c4OC)OC)c4,0.0
59630,CO-ADD:0221818,-0.57,S(CCCCCCCC)(=O)(=O)CCNC(CCCCCCCCCCCCCCC)=O,0.0
59631,CO-ADD:0221981,-0.57,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(cc(Cl)cc4Br)c4O,0.0
59632,CO-ADD:0221800,-0.57,S(CCCCCCCCCC)(NCCSCCCCCCCCCCCCCCCCCC)(=O)=O,0.0
59633,CO-ADD:0221313,-0.57,N1(c(cc2)ccc2c(cc(c(cc3)ccc3N4C(=O)c5c(cc(cc5)Oc(cc6)ccc6[N+](=O)[O-])C4=O)nc7c8ccccc8)n7)C(=O)c9c(cc(cc9)Oc(cc%10)ccc%10[N+](=O)[O-])C1=O,0.0
59634,CO-ADD:0225166,-0.57,c12n(C=CN(c3cccc(F)c3)C1=O)c(nn2)SCC(=O)c4ccc(cc4)F,0.0
59635,CO-ADD:0215317,-0.57,c(C#N)(c1c2cccs2)c(SCC(=O)Nc3cccc(C)c3)nc(N)c1C#N,0.0
59636,CO-ADD:0215797,-0.57,C(CSCc1ccccc1C)(=O)N\N=C\c2ccccc2,0.0
59637,CO-ADD:0294684,-0.57,N1(C(CC2(C)C)CC(N2)(C)C)C(C)(O)C3(OC1=O)CCCCC3,0.0
59638,CO-ADD:0293748,-0.57,C1(C(OCC)=O)=C(C)Nc(c(ccc2C(F)(F)F)S1)c2,0.0
59639,CO-ADD:0292894,-0.57,n12c(cc(C(=O)NCc(cc3)ccc3Cl)n1)nc4c(CCc(cccc5)c45)c2C(F)(F)F,0.0
59640,CO-ADD:0166176,-0.57,c1(O)c(OCC)cc(cc1Cl)\C=N\NC(COc2ccc(cc2Cl)Cl)=O,0.0
59641,CO-ADD:0218285,-0.57,C(=C\C=C\c1ccccc1)(/C(OC)=O)\C(OC)=O,0.0
59642,CO-ADD:0221539,-0.57,[N+](=O)([O-])c1ccccc1Oc(cc2)ccc2\C(\c3ccc(cc3)Oc4ccccc4[N+](=O)[O-])=C(/Cl)\Cl,0.0
59643,CO-ADD:0221372,-0.58,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(CCNC(C)=O)c1C,0.0
59644,CO-ADD:0220265,-0.58,N(=C1c2ccc(cc2)I)\C(\C(O1)=O)=C/c3c(OCC)ccc(cccc4)c34,0.0
59645,CO-ADD:0221785,-0.58,c1(N2)c(cc(c(Cl)c1Br)Cl)OC2=O,0.0
59646,CO-ADD:0219022,-0.58,C(=N/c(cc1)ccc1OC)(/c2c(N3)cccc2)\C3=O,0.0
59647,CO-ADD:0221777,-0.58,N1(CCOc(ccc(c2C)C)c2)C(=O)c3c(cc(cc3)Oc(ccc(c4C5=O)C(N5CCOc(ccc(c6C)C)c6)=O)c4)C1=O,0.0
59648,CO-ADD:0219255,-0.58,C(F)(F)(C(=O)NC1OC(C)COC1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F,0.0
59649,CO-ADD:0220153,-0.58,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C(/C)\c(cc2)ccc2C(C)(C)C)c1,0.0
59650,CO-ADD:0222630,-0.58,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)NCc2ccccn2,0.0
59651,CO-ADD:0220409,-0.58,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c2cccc(CC=C)c2O,0.0
59652,CO-ADD:0222021,-0.58,C(=O)(N\N=C\c(cc1)cc(c1OC(=O)c2ccc(cc2)Br)OC)C(O)(c3ccccc3)c4ccccc4,0.0
59653,CO-ADD:0219215,-0.58,C(=O)(CN(CC1)CCO1)N(c2ccccc2)c3ccccc3,0.0
59654,CO-ADD:0222658,-0.58,C(F)(F)(F)c1ccccc1NC(=O)C\C(\C)=N\NC(=O)c2ccc(cc2)I,0.0
59655,CO-ADD:0219804,-0.58,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc(c2OCC)OCCC)c2)c3ccc(cc3C)C,0.0
59656,CO-ADD:0220551,-0.58,c1(\C=N\NC(CNc(cc2)ccc2C)=O)cc(I)ccc1O,0.0
59657,CO-ADD:0220353,-0.58,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc(cc2)ccc2C)=O)c3ccccc3Cl,0.0
59658,CO-ADD:0220525,-0.58,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(ccc(c2I)O)c2)c1,0.0
59659,CO-ADD:0220010,-0.58,[N+](=O)([O-])c1ccccc1\C=N/NC(CNC(c2ccccc2)=O)=O,0.0
59660,CO-ADD:0219502,-0.58,[N+](=O)([O-])c1ccc(cc1)CC(=O)N\N=C\C=C(/O)\c2ccc(cc2)OC,0.0
59661,CO-ADD:0219664,-0.58,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc2c(Cl)ccc(Cl)c2,0.0
59662,CO-ADD:0219486,-0.58,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\c3ccccc3Br,0.0
59663,CO-ADD:0222456,-0.58,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(cc3)ccc3c4sc(c5n4)ccc(C)c5)[N+](=O)[O-],0.0
59664,CO-ADD:0218956,-0.58,[N+](=O)([O-])c(cccc1C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3NC(C)=O)c1,0.0
59665,CO-ADD:0222170,-0.58,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2\C=N\NC(CNc(ccc(c34)cccc3)c4)=O)Br,0.0
59666,CO-ADD:0165952,-0.58,c1(c2c(cccc2)ccc1OC(=O)c3ccc(cc3)Br)\C=N\c(ccc(c4C)C)c4,0.0
59667,CO-ADD:0166455,-0.58,C(=O)(N\N=C/c(cc1)ccc1C(OC)=O)C(=O)NC(C)c2ccccc2,0.0
59668,CO-ADD:0166497,-0.58,N1(CNc2c(C)ccc(I)c2)C(=O)\C(\SC1=O)=C/c(cc3)ccc3C(OC)=O,0.0
59669,CO-ADD:0166582,-0.58,c1(Br)c(ccc(cccc2)c12)OCC(=O)N\N=C\c(cc3)ccc3Cl,0.0
59670,CO-ADD:0166555,-0.58,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2C)c3ccc(cc3)OCc(cc4)ccc4C,0.0
59672,CO-ADD:0164425,-0.58,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1.Cl,0.0
59673,CO-ADD:0164471,-0.58,Oc1nc2cc(Cl)ccc2o1,0.0
59674,CO-ADD:0219815,-0.58,[N+](=O)([O-])c(cccc1C(=O)Nc(cc2)ccc2OC(=O)c(cccc3[N+](=O)[O-])c3)c1,0.0
59675,CO-ADD:0219283,-0.58,C(NCCCCCCCCCCNC(=O)Nc1cccc(C)c1)(=O)Nc2cccc(C)c2,0.0
59676,CO-ADD:0221388,-0.58,C1(=Cc(cccc2CC=C)c2OC1=O)C(=O)Nc3ccccc3OC,0.0
59677,CO-ADD:0225845,-0.58,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)Nc(ccc(c4F)C)c4)=O,0.0
59678,CO-ADD:0226253,-0.58,S(=O)(=O)(N(Cc(ccc1C(OC)=O)o1)c2cccc(F)c2)c(ccc(n3c4)nn4)c3,0.0
59679,CO-ADD:0215766,-0.58,C(=O)(c1ccc(cc1)F)NCc2ccco2,0.0
59680,CO-ADD:0215782,-0.58,c1(ccc(C)s1)C(c2ccc(cc2)OC)c3ccc(C)s3,0.0
59681,CO-ADD:0215287,-0.58,c1(c(O)c(\C=N\n(c2)cnn2)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
59682,CO-ADD:0218293,-0.58,C(=S)(Nc1ccccc1)NNC(Cc(ccc(c2Br)OC)c2)=O,0.0
59683,CO-ADD:0218718,-0.58,c1(c(C)cc(cc1C)C)NC(=O)C\C(\C)=N\NC(C)=O,0.0
59684,CO-ADD:0221051,-0.58,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
59685,CO-ADD:0221358,-0.58,n(c1ccccc1C)(c2c(c3C(OCC)=O)cc(O)cc2)c3C,0.0
59686,CO-ADD:0221371,-0.58,c1(C(OCC)=O)c(cc(O)cc2)c2n(Cc3ccccc3)c1CSc4ccccc4,0.0
59687,CO-ADD:0221426,-0.58,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
59688,CO-ADD:0220126,-0.58,C(=O)(N\N=C\c1cccc(I)c1)c2ccc(cc2)OCCCCCC,0.0
59689,CO-ADD:0222506,-0.58,c1(c2cccc(Br)c2)oc3c(ccc(c3)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4)n1,0.0
59690,CO-ADD:0222838,-0.58,c1(cc(OC)ccc1NC(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)[N+](=O)[O-],0.0
59691,CO-ADD:0219359,-0.58,N(=C\c1ccccc1I)/NC(CCC(=O)Nc2cccc(Cl)c2)=O,0.0
59692,CO-ADD:0220658,-0.58,c1(O)c(Br)cc(cc1Br)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O,0.0
59693,CO-ADD:0220260,-0.58,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(CNc(cc3)ccc3C)=O,0.0
59694,CO-ADD:0222633,-0.59,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)NCc2ccccc2Cl,0.0
59695,CO-ADD:0222368,-0.59,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
59696,CO-ADD:0220488,-0.59,C(COc(cc1)c(C)cc1C(C)(C)C)(=O)N\N=C\c2cccc(OC)c2,0.0
59697,CO-ADD:0219123,-0.59,N1(CN2CCCCC2)c3c(SC1=S)cccc3,0.0
59698,CO-ADD:0219773,-0.59,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c2cccc(OC)c2,0.0
59699,CO-ADD:0219635,-0.59,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(COc3ccc(cc3Cl)Cl)=O,0.0
59700,CO-ADD:0220674,-0.59,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c2cccc(Br)c2)nc3NC4CCCCC4)n3,0.0
59701,CO-ADD:0220710,-0.59,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(cc(I)cc2I)c2OC)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
59702,CO-ADD:0222522,-0.59,c1(\C=N\NC(CNC(=O)c2ccccc2Br)=O)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
59703,CO-ADD:0222598,-0.59,C(=O)(c1ccc(c(OC)c1)OCCC)N2CCCC2,0.0
59704,CO-ADD:0220034,-0.59,C(OC\C=C\c1ccccc1)(=O)Nc2ccccc2Cl,0.0
59705,CO-ADD:0220257,-0.59,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(ccc(c2Br)OC)c2)c1,0.0
59706,CO-ADD:0222804,-0.59,C(=O)(c1cccc(OC)c1)\C=C/Nc(cc2)ccc2Br,0.0
59707,CO-ADD:0166348,-0.59,C(=O)(C(NCCc1ccccc1F)=O)Nc2cc(C)ccc2C,0.0
59708,CO-ADD:0226295,-0.59,S(=O)(=O)(N(Cc1cccc(F)c1)c2cccc(Cl)c2)c(ccc3n4c(C)nn3)c4,0.0
59709,CO-ADD:0226335,-0.59,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(=O)Nc4ccccc4,0.0
59710,CO-ADD:0218681,-0.59,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)C)CC(=O)Nc3ccccc3[N+](=O)[O-],0.0
59711,CO-ADD:0218599,-0.59,C(=O)(c1ccccc1C)Nc(cc2)ccc2C(OCC)=O,0.0
59712,CO-ADD:0218607,-0.59,C(=O)(Nc(cc1)ccc1C)c2ccccc2C(=O)Nc(cc3)ccc3C(C)=O,0.0
59713,CO-ADD:0218700,-0.59,C(=O)(N\C(=C/c1ccccc1)\C(=O)N\N=C\c(cc2)ccn2)c3ccccc3Cl,0.0
59714,CO-ADD:0293236,-0.59,C1(c2ccccc2F)Nc(ccc(c3)C(O)=O)c3C(C(C4Sc5ccccc5[N+](=O)[O-])Cl)C1C4,0.0
59715,CO-ADD:0293208,-0.59,n(c(c1ccc(cc1)F)[nH]c2c(ccc(c34)c5c(cccc5)s3)c4)c2c6ccccc6,0.0
59716,CO-ADD:0293958,-0.59,c(c1C(C)C)(C2c3ccc(c(OC)c3)OC)c([nH]n1)OC(N)=C2C#N,0.0
59717,CO-ADD:0218443,-0.59,c1(\C=N\NC(COc2cccc(Br)c2)=O)cc(Br)ccc1O,0.0
59718,CO-ADD:0217875,-0.59,c1(N(CC2)CCO2)c(C(C)=O)c(SC)nc(c3ccccc3)n1,0.0
59719,CO-ADD:0217947,-0.59,c(c(Br)c1Br)c(NCC(=O)N\N=C\c(cc2)ccc2F)c(c1)Br,0.0
59720,CO-ADD:0218803,-0.59,N(=C(/CCC)\c1ccccc1)/NC(C(C)C)=O,0.0
59721,CO-ADD:0218436,-0.59,C(O)(C(CI)C(O)=O)(C(F)(F)F)C(F)(F)F,0.0
59722,CO-ADD:0221274,-0.59,N1(OC(N(c2cccc(Cl)c2)C1=O)=O)C3C(C)(C)SC(=S)N3CC(C)C,0.0
59723,CO-ADD:0221108,-0.59,c1(C#N)c(C)cc(nc1SC)C,0.0
59724,CO-ADD:0221112,-0.59,c1(ccccc1OCC(=O)N\N=C\c2cccc(OC)c2OC)C(=O)N\N=C\c3cccc(OC)c3OC,0.0
59725,CO-ADD:0221369,-0.59,c1(C(OCC)=O)c(C)n(c(ccc(OC)c2S(=O)(=O)c3ccc(cc3)OC)c12)C,0.0
59726,CO-ADD:0221250,-0.59,C1(C(OCC)=O)=C(C)NC(NC1c2c3c(cccc3)ccc2OC(C)=O)=S,0.0
59727,CO-ADD:0221665,-0.59,c1(cccc(Cl)c1Cl)C(=O)\C=C/c2ccccc2,0.0
59728,CO-ADD:0219248,-0.59,c(cc(I)cc1I)(\C=N\c2cccc(F)c2)c1O,0.0
59729,CO-ADD:0219370,-0.6,c1(C#N)c(c2ccccc2)cc(nc1O)c3ccccc3,0.0
59730,CO-ADD:0221200,-0.6,c1(N(C)C(N)=O)nc(NC(C)C)nc(NC(C)C)n1,0.0
59731,CO-ADD:0220410,-0.6,c1(NCC(=O)N\N=C\c2ccc(cc2Cl)Cl)c(Br)cc(cc1Br)Br,0.0
59732,CO-ADD:0222585,-0.6,S(=O)(=O)(c1ccc(cc1)OCC)NC(=O)NCc(cc2)ccc2OC,0.0
59733,CO-ADD:0218893,-0.6,[N+](=O)([O-])c1ccccc1C(=O)N\N=C\c2c3c(cccc3)ccc2OC(=O)c4ccc(cc4)Cl,0.0
59734,CO-ADD:0219736,-0.6,c1(C(O)=O)cc(ccc1NC(c2ccccc2)=O)c(ccc(c3C(O)=O)NC(c4ccccc4)=O)c3,0.0
59735,CO-ADD:0221166,-0.6,S(c1ccccc1)(=O)(=O)N(CC(NCCSc(cc2)ccc2Cl)=O)c3ccc(cc3Cl)Cl,0.0
59736,CO-ADD:0222629,-0.6,C(CSCc1ccccc1Br)(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
59737,CO-ADD:0166243,-0.6,N1(c2ccccc2O)C(=O)c(c(c3)C1=O)cc(c3C(N4c5ccccc5O)=O)C4=O,0.0
59738,CO-ADD:0166284,-0.6,N(CC1)(CCN1CCOc2ccccc2OC)C(OCC)=O,0.0
59739,CO-ADD:0166378,-0.6,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)N\N=C\c(cc4)ccc4Br,0.0
59740,CO-ADD:0166397,-0.6,C(CSCc1ccccc1Cl)(=O)N\N=C\c2cccc(Cl)c2,0.0
59741,CO-ADD:0164479,-0.6,CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O.Cl,0.0
59742,CO-ADD:0164378,-0.6,O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1.Br.Br,0.0
59743,CO-ADD:0226367,-0.6,C1(=N2)N(C=CC(N3CCCCCC3)=N1)C(N2CC(=O)Nc(ccc(c4Cl)OC)c4)=O,0.0
59744,CO-ADD:0225914,-0.6,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc4c(C)cccc4C)C2=O,0.0
59745,CO-ADD:0219183,-0.6,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C\Nc(cc3)c(C)cc3[N+](=O)[O-],0.0
59746,CO-ADD:0221716,-0.6,N1(CNc2cccc(C)c2C)C(=O)\C(\SC1=S)=C/c3cccc(F)c3,0.0
59747,CO-ADD:0219467,-0.6,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc(cccc2C(F)(F)F)c2,0.0
59748,CO-ADD:0219059,-0.6,c1(\C=N\NC(=O)c2cccc(C)c2)c3c(cccc3)cc(cccc4)c14,0.0
59749,CO-ADD:0218194,-0.6,C(=O)(c1ccc(cc1)C)OCC(c2ccccc2)=O,0.0
59750,CO-ADD:0218650,-0.6,C(=O)(c1cccc(I)c1)N\N=C(/C)\CC(=O)Nc(cc2)ccc2F,0.0
59751,CO-ADD:0218597,-0.6,C(=O)(c1ccccc1C)Nc2ccccc2C(=O)N\N=C\c(cc3)ccc3OCCCCCCCC,0.0
59752,CO-ADD:0292888,-0.6,n1(nc(c2C(=O)NC(C)C)C)c2nc(c3ccc(cc3)Cl)cc1C(F)(F)F,0.0
59753,CO-ADD:0293826,-0.6,S1(=O)(=O)c(cccc2)c2C(N(CCC(=O)NC(C)(C)C)\N=C\c(cccc3[N+](=O)[O-])c3)=N1,0.0
59754,CO-ADD:0295438,-0.61,C(C(C)Cl)(=O)Nc(ccc(c12)CCC1)c2,0.0
59755,CO-ADD:0293710,-0.61,N1(c2ccc(cc2)OC(Cl)(F)F)C(=O)CC(N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-])C1=O,0.0
59756,CO-ADD:0294367,-0.61,c1(c2ccccc2Cl)oc(c3n1)ccc(c3)NC(Cc4ccccc4)=O,0.0
59757,CO-ADD:0218036,-0.61,[N+](=O)([O-])c1c(Cl)ccc(c1)c2nc3c(nc2c(ccc(c4[N+](=O)[O-])Cl)c4)cccc3,0.0
59758,CO-ADD:0217877,-0.61,S(=O)(=O)(c1ccc(cc1)C)\N=C(/NC2)\NCN2c(cc3)ccc3[N+](=O)[O-],0.0
59759,CO-ADD:0225561,-0.61,N12C(C=CC(C(=O)Nc(cc3)ccc3OC)=C1)=NN(CC(=O)Nc(cc4)ccc4C(F)(F)F)C2=O,0.0
59760,CO-ADD:0225460,-0.61,c12n(ccn(c(nn3)CCC(=O)NCc4ccc(cc4OC)OC)c13)nc(c5ccc(cc5)OC)c2,0.0
59761,CO-ADD:0219010,-0.61,C1(CC(C)CCC1C(C)C)OC(=O)c(cc2)ccc2c3ccccc3,0.0
59762,CO-ADD:0222139,-0.61,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)Br,0.0
59763,CO-ADD:0222510,-0.61,c1(Br)oc(cc1Br)\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O,0.0
59764,CO-ADD:0220374,-0.61,c1(cc(C)cc(I)c1O)\C=N\c(cc2)ccc2c3ccc(cc3)\N=C\c4cc(C)cc(I)c4O,0.0
59765,CO-ADD:0221947,-0.61,C(=O)(C(=O)NCc(ccc(c12)OCO1)c2)Nc3cccc(Cl)c3Cl,0.0
59766,CO-ADD:0219685,-0.61,c1(\C=N\NC(CCC(=O)Nc2c(Cl)ccc(Cl)c2)=O)c(cccc1Cl)Cl,0.0
59767,CO-ADD:0219665,-0.61,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
59768,CO-ADD:0222634,-0.61,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)NCc(cc2)ccc2Cl,0.0
59769,CO-ADD:0220277,-0.61,C(CNc(cc1)ccc1C)(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
59770,CO-ADD:0226059,-0.61,C1(=N2)N(C=CN=C1N3CC(C)CC(C)C3)C(N2CC(=O)Nc(cc4)ccc4CCCC)=O,0.0
59771,CO-ADD:0226086,-0.61,S(=O)(=O)(N(Cc1cccc(Cl)c1)c2cccc(C)c2)c3cccn(c(nn4)C)c34,0.0
59772,CO-ADD:0225537,-0.61,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc4c(C)ccc(Cl)c4)c2,0.0
59773,CO-ADD:0222175,-0.61,n1c(ccc(c2)\N=C\c(cccc3[N+](=O)[O-])c3O)c2oc1c4ccc(cc4)Cl,0.0
59774,CO-ADD:0220576,-0.61,C(=C/c1ccccc1O)(/NC(c2ccccc2)=O)\C(=O)N\N=C/c(ccc(c34)ccc(ccc(n5)\C=N\NC(=O)\C(=C\c6ccccc6O)\NC(c7ccccc7)=O)c35)n4,0.0
59775,CO-ADD:0221023,-0.61,C(NCCCCCCCCC)(=O)c1ccc(cc1)NC(CCCCCCCCC)=O,0.0
59776,CO-ADD:0219767,-0.61,[N+](=O)([O-])c(c1)cc(cc1NC(CCCCCCCCCCC)=O)NC(CCCCCCCCCCC)=O,0.0
59777,CO-ADD:0220084,-0.61,c1(NC(=O)c2cccc(Br)c2)sc(c(C)c1C(OCC)=O)C,0.0
59778,CO-ADD:0218661,-0.61,[N+](=O)([O-])c(cc1)ccc1C(O)Cc(cc2)ccc2[N+](=O)[O-],0.0
59779,CO-ADD:0218093,-0.61,c(cnc1c2ccc(cccc3)c13)(C(OCC)=O)c2O,0.0
59780,CO-ADD:0218550,-0.61,n1c(c2ccccc2)csc1N,0.0
59781,CO-ADD:0218078,-0.61,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccco2)=O)c3ccco3,0.0
59782,CO-ADD:0218358,-0.61,c1(ccccc1O)C(=O)N\N=C\c2ccc(C)o2,0.0
59783,CO-ADD:0295214,-0.61,c1(sc2c3c(COC)cc(C)n2)c3nnn(c4c(cccc4)n5)c15,0.0
59784,CO-ADD:0293144,-0.61,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(cc4)ccc4Cl)\C1=O)=NC(C)=C2C(OCC)=O,0.0
59785,CO-ADD:0294859,-0.61,c1(c(cc2)c(cccc3)c3c2c4oc(c5n4)cccc5)oc(c6n1)cccc6,0.0
59786,CO-ADD:0225612,-0.61,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccccc4C(OC)=O)=O,0.0
59787,CO-ADD:0225625,-0.61,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4ccc(cc4Cl)C)=O,0.0
59788,CO-ADD:0225546,-0.61,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc(ccc(c4F)C)c4)c2,0.0
59789,CO-ADD:0225700,-0.61,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)Nc(ccc(c4Cl)Cl)c4)=O,0.0
59790,CO-ADD:0220721,-0.61,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/C)\c3ccc(cc3)F,0.0
59791,CO-ADD:0222671,-0.61,c1(c2)c(cc(OC)c2NC(=O)C\C(\C)=N\NC(=O)c3cccc(Cl)c3)c4c(cccc4)o1,0.0
59792,CO-ADD:0222829,-0.62,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc(cc2)ccc2C(C)C,0.0
59793,CO-ADD:0219338,-0.62,C(=O)(Nc1cccc(C)c1)C\C(\C)=N\NC(CCCC)=O,0.0
59794,CO-ADD:0219116,-0.62,C1(\N=C\c(cc2)ccc2O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
59795,CO-ADD:0219224,-0.62,C(F)(F)(C(F)(F)C(F)(F)F)C(F)(F)C(=O)N\N=C\C=C\c(cc1)ccc1N(C)C,0.0
59796,CO-ADD:0219754,-0.62,C(=O)(N\N=C\c(cc1)ccc1OC(C)C)c2ccc(cc2)Br,0.0
59797,CO-ADD:0219623,-0.62,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2CC,0.0
59798,CO-ADD:0218914,-0.62,C(=O)(c1cccc(F)c1)N\N=C(/C)\CC(=O)NC(C)CC,0.0
59799,CO-ADD:0219362,-0.62,c1(Cl)cc(Cl)ccc1\C=N\NC(CCC(=O)Nc2cccc(Cl)c2)=O,0.0
59800,CO-ADD:0222064,-0.62,c1(NC(=O)c2ccccc2Cl)sc(c3c1C#N)CCC3,0.0
59801,CO-ADD:0220398,-0.62,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
59802,CO-ADD:0220406,-0.62,c1(c2ccccc2)[nH]c3c(ccc(c3)\N=C\c4cccc(Br)c4)n1,0.0
59803,CO-ADD:0220756,-0.62,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(cc2)ccc2N(C)C)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
59804,CO-ADD:0221977,-0.62,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/CC)\Nc2ccc(cc2Br)C)[N+](=O)[O-],0.0
59805,CO-ADD:0222053,-0.62,C(OCC)(=O)NCc(ccc(c12)OCO1)c2,0.0
59806,CO-ADD:0225512,-0.62,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc(ccc(c5F)C)c5)=O,0.0
59807,CO-ADD:0226758,-0.62,c12n(ccn(nc(c3ccc(cc3)C)c4)c14)c(nn2)SCC(=O)NCc(ccc(c5OC)OC)c5,0.0
59808,CO-ADD:0225710,-0.62,C1(=N2)N(C=CN=C1Oc(cc3)ccc3Cl)C(N2CC(=O)Nc(ccc(c45)OCO4)c5)=O,0.0
59809,CO-ADD:0226766,-0.62,C1(=NN(C2=O)CC(=O)Nc(ccc(c34)OCCO3)c4)N2c(c5C(=O)N1Cc(cc6)ccc6C)cccc5,0.0
59810,CO-ADD:0215468,-0.62,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c2cc(OC)ccc2OC,0.0
59811,CO-ADD:0215476,-0.62,C(=O)(Nc(ccc(c1Cl)Cl)c1)CC(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
59812,CO-ADD:0215492,-0.62,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(=O)C(=O)Nc(cc3)ccc3OCC,0.0
59813,CO-ADD:0225633,-0.62,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4ccc(cc4F)F)=O,0.0
59814,CO-ADD:0225929,-0.62,N12C(C=CC(c3ccccc3)=N1)=NN(CC(=O)N(CC4)CCN4c5ccc(cc5)OC)C2=O,0.0
59815,CO-ADD:0221228,-0.62,c1(cc(n2)C(O)=O)n2c(cc(C)n1)C,0.0
59816,CO-ADD:0221690,-0.62,N1(CNc(cc2)ccc2CC)C(=O)\C(\SC1=S)=C/c3ccc(cc3Cl)Cl,0.0
59817,CO-ADD:0221799,-0.62,S(=O)(=O)(C\C=C(\Cl)/Cl)Nc1ccccc1Cl,0.0
59818,CO-ADD:0221679,-0.62,c1(\C=N\NC(=O)Cc2cccc(cccc3)c23)c4c(cccc4)cc(cccc5)c15,0.0
59819,CO-ADD:0221816,-0.62,[N+](=O)([O-])c(ccc(c1C(NCCSCCCCCCCCCCCCCCCCCC)=O)O)c1,0.0
59820,CO-ADD:0219085,-0.62,N(=C(\C)/c1ccc(cc1)F)/NC(=O)c2ccc(cc2)OCCCCCCCCCC,0.0
59821,CO-ADD:0218270,-0.62,C(=O)(N\N=C\c(cc1)ccc1Br)c2cccc(C)c2,0.0
59822,CO-ADD:0218163,-0.62,C(=O)(N\N=C\c1c(ccc(cccc2)c12)OCc3cccc(Br)c3)C(Oc4ccccc4)Oc5ccccc5,0.0
59823,CO-ADD:0218249,-0.62,N(/c(cc1)ccc1Nc2ccccc2)=C\c3ccccc3O,0.0
59824,CO-ADD:0218361,-0.62,C(=O)(N\N=C\c1ccco1)c2cccc(Br)c2,0.0
59825,CO-ADD:0218273,-0.62,[N+](=O)([O-])c(cccc1C(=O)N\N=C(\CC)/Cc2ccccc2)c1,0.0
59826,CO-ADD:0215723,-0.62,c1(ccc(cc1Cl)Cl)C(=O)NCC(=O)NNC(=O)Nc2ccccc2Cl,0.0
59827,CO-ADD:0215139,-0.63,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C\NNC(=O)c3ccc(cc3)Br,0.0
59828,CO-ADD:0166765,-0.63,N1(c2ccccc2C)C(=O)c(cc3)c(c4C1=O)c(c35)c(cc4)c6c(cccc6)O5,0.0
59829,CO-ADD:0225716,-0.63,C1(=N2)N(C=Nc3c1sc(n3)N4CCCC4)C(N2CC(=O)Nc(ccc(c5Cl)F)c5)=O,0.0
59830,CO-ADD:0225461,-0.63,C1(=N2)N(C=Cn(nc(c3ccc(cc3)Cl)c4)c14)C(N2CC(=O)Nc5ccccc5C)=O,0.0
59831,CO-ADD:0225573,-0.63,N12C(C=CC(Sc(cc3)ccc3C)=N1)=NN(CC(=O)Nc4ccccc4C(OCC)=O)C2=O,0.0
59832,CO-ADD:0226666,-0.63,N1(c(cccc2)c2C(N3CCc4ccccc4)=O)C3=NN(CC(=O)Nc5cc(OC)cc(OC)c5)C1=O,0.0
59833,CO-ADD:0221846,-0.63,c1(C#N)c(C)c(C)c(nc1SC)C,0.0
59834,CO-ADD:0219200,-0.63,N(=C\c(cc1)ccc1F)/NC(CCC(=O)Nc(cc2)ccc2Br)=O,0.0
59835,CO-ADD:0220677,-0.63,c1(N(CC2)CCO2)nc(N\N=C\c(c(O)ccc3[N+](=O)[O-])c3)nc(Nc(cc4)ccc4C)n1,0.0
59836,CO-ADD:0222614,-0.63,S(=O)(=O)(c(cc1)ccc1c2csc(Nc3cccc(cccc4)c34)n2)N(CC5)CCO5.Br,0.0
59837,CO-ADD:0222136,-0.63,c(\C=N\NC(CNc1cccc(cccc2)c12)=O)(c(cccc3)c3n4C)c4,0.0
59838,CO-ADD:0220412,-0.63,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2OCC,0.0
59839,CO-ADD:0220279,-0.63,c1(O)c(OCC)cc(cc1Br)\C=N\NC(CNc(cc2)ccc2C)=O,0.0
59840,CO-ADD:0220916,-0.63,c12c(ccc(OC)c1OC)C(OC2=O)Nc3cc(C)ccc3C,0.0
59841,CO-ADD:0220974,-0.63,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c3cc(Cl)ccc3O,0.0
59842,CO-ADD:0222314,-0.63,n1c2c(oc1c3cccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)ccc(Cl)c2,0.0
59843,CO-ADD:0217959,-0.63,N1C(C)(C)CC(CC1(C)C)\N=C\c2ccccc2O,0.0
59844,CO-ADD:0218039,-0.63,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)SCC(=O)Nc3cccc(F)c3,0.0
59845,CO-ADD:0217999,-0.63,[N+](=O)([O-])c(cc(C)cc1c2ccc(\C=N\NC(=O)Nc3ccccc3)o2)c1C,0.0
59846,CO-ADD:0166761,-0.63,N1(CC(O)=O)C(=O)c(c2)c(c(c3)C1=O)c(cc2[N+](=O)[O-])cc3[N+](=O)[O-],0.0
59847,CO-ADD:0215508,-0.63,C(N(CCC)CCC)(=S)Oc(cc1)ccc1C(=O)Nc(ccc(c23)cccc2)c3,0.0
59848,CO-ADD:0215436,-0.63,c1(c2ccc(cc2)Cl)nc(sc1c3ccccc3)N\N=C(/C)\c4ccc(c(C)c4)F.Br,0.0
59849,CO-ADD:0215612,-0.63,C(=O)(Nc(ccc(c12)cccc1)c2)C\C(\C)=N\NC(COc(cc3)ccc3OC)=O,0.0
59850,CO-ADD:0226829,-0.63,c12n(cnn1)c3c(cccc3)nc2SCC(=O)Nc(ccc(c4C)Br)c4,0.0
59851,CO-ADD:0225965,-0.63,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(Cc4ccc(cc4Cl)F)C2=O,0.0
59852,CO-ADD:0225973,-0.63,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4onc(c5ccc(cc5)Cl)n4)C2=O,0.0
59853,CO-ADD:0226531,-0.63,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCc(cc4)ccc4C=C,0.0
59854,CO-ADD:0226819,-0.63,C1(=N2)N(C=Cn(nc(c3ccc(cc3)C)c4)c14)C(N2CC(=O)Nc5ccc(cc5Cl)F)=O,0.0
59855,CO-ADD:0221242,-0.63,[N+](=O)([O-])c(ccc(c1\C=N\N(C)C)N(CC2)CCO2)c1,0.0
59856,CO-ADD:0219457,-0.63,c1(OCC(=O)N\N=C(/C)\c2ccc(cc2)F)c(Cl)cc(cc1Cl)Cl,0.0
59857,CO-ADD:0222331,-0.63,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c4cccc(I)c4O,0.0
59858,CO-ADD:0220074,-0.63,c1(NC(=O)c(cc2)ccc2[N+](=O)[O-])sc(c(C)c1C(OCC)=O)C,0.0
59859,CO-ADD:0221277,-0.63,c(C(OCC)=O)(c(cc(OC(C)=O)c(c1)Br)c1n2Cc3ccccc3)c2C,0.0
59860,CO-ADD:0221510,-0.63,N1(c2cc(C)ccc2C)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
59861,CO-ADD:0218390,-0.64,n1(c(C)nn2)c2c(nc(non3)c13)Nc4ccccc4I,0.0
59862,CO-ADD:0218398,-0.64,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])N(CCC(C)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
59863,CO-ADD:0293637,-0.64,C(/c(cc(C)cc1)c12)(\C(=S)C(N2Cc3ccccc3)(C)C)=C(\SC(=C4C(OC)=O)C(OC)=O)/S4,0.0
59864,CO-ADD:0166188,-0.64,c1(cccc(cccc2)c12)CC(=O)N\N=C\c3ccc(cc3O)O,0.0
59865,CO-ADD:0166230,-0.64,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(COc(ccc(c2C)C)c2)=O,0.0
59866,CO-ADD:0226674,-0.64,c1(C2=O)n(c(nn1)CC)c3c(cccc3)N2CC(=O)Nc(cc4)ccc4NC(C)=O,0.0
59867,CO-ADD:0225922,-0.64,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc(cccc4C(OC)=O)c4)C2=O,0.0
59868,CO-ADD:0226482,-0.64,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)N(CC4)CCN4c5ccc(cc5)F,0.0
59869,CO-ADD:0226210,-0.64,S(=O)(=O)(N(Cc1cccc(OC)c1)c2cccc(C)c2)c(ccc3n4c(C)nn3)c4,0.0
59870,CO-ADD:0226722,-0.64,C1(=NN(C2=O)CC#N)N2c3c(ccc(c3)C(=O)NC4CCCCC4)C(=O)N1CC(C)C,0.0
59871,CO-ADD:0220698,-0.64,c1(ccc(cc1Cl)Cl)C(=O)OCC(=O)c(cc2)ccc2NC(c3ccccc3)=O,0.0
59872,CO-ADD:0220094,-0.64,N1(CNc(cc2)ccc2C(C)=O)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
59873,CO-ADD:0222811,-0.64,C(/C(OCC)=O)(\C(OCC)=O)=C/Nc1cc(C)ccn1,0.0
59874,CO-ADD:0219837,-0.64,C(COc1ccccc1)(=O)Nc(cc2)ccc2C,0.0
59875,CO-ADD:0222104,-0.64,C(CSc1ccccn1)(=O)Nc(cc2)ccc2CC,0.0
59876,CO-ADD:0222164,-0.64,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)c4ccccc4I,0.0
59877,CO-ADD:0222845,-0.64,c1(OC(=O)\C=C\c(cc2)ccc2Br)c(Br)cc(cc1Br)\C=N\c(cc3)ccc3OC,0.0
59878,CO-ADD:0222631,-0.64,C(c1ccc(cc1)OC)(N(CC2)CCO2)N(CC3)CCO3,0.0
59879,CO-ADD:0220243,-0.64,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(cc(OCO2)c2c3)c3Cl)c1,0.0
59880,CO-ADD:0222268,-0.64,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O)Br,0.0
59881,CO-ADD:0219172,-0.64,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
59882,CO-ADD:0220320,-0.64,C(CNc1ccccc1C)(=O)N\N=C\C(\Br)=C\c2ccccc2,0.0
59883,CO-ADD:0166469,-0.64,C(COc(cc1)ccc1CC)(NCCc(cc2)ccc2Cl)=O,0.0
59884,CO-ADD:0165942,-0.64,[N+](=O)([O-])c1cc(ccc1Br)\C=N\NC(CCc2ccccc2)=O,0.0
59885,CO-ADD:0166733,-0.64,c1(OC(N)=C(C2c3cc(Br)ccc3OC)C#N)c2c(nn1c4ccccc4)C,0.0
59886,CO-ADD:0166467,-0.64,C(=O)(N\N=C/c(cc1)ccc1OC)C(=O)NC(C)c2ccccc2,0.0
59887,CO-ADD:0166774,-0.64,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(=O)(=O)N(C)C,0.0
59888,CO-ADD:0215584,-0.64,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2cccc(c2)\C=N\NC(=O)c3ccc(cc3)O)c1,0.0
59889,CO-ADD:0215477,-0.64,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(C)n1)C(NCCO)=O,0.0
59890,CO-ADD:0215397,-0.64,N12C(S\C(=C/c3cccc(OC)c3)\C1=O)=C(C(c4cccc(OC)c4)C(C#N)=C2N)C#N,0.0
59891,CO-ADD:0215788,-0.64,c1(ccccc1I)C(=O)N\N=C(/C)\CC(=O)Nc2cc(C)ccc2OC,0.0
59892,CO-ADD:0226011,-0.64,C1(=N2)N(C=CN=C1N3CCCC(C)C3)C(N2CC(=O)Nc4ccc(c(OC)c4)OC)=O,0.0
59893,CO-ADD:0226116,-0.64,S(=O)(=O)(N(c(cc1)ccc1C(C)C)Cc2ccccc2C)c3cccn(cnn4)c34,0.0
59894,CO-ADD:0221253,-0.64,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(=O)N3CCCCCC3)=S,0.0
59895,CO-ADD:0220194,-0.65,N(=C(/C)\c1ccc(cc1)CC)/NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
59896,CO-ADD:0220364,-0.65,c1(cc(C)cc(I)c1O)\C=N\c(cc2)c(OC)cc2c3ccc(c(OC)c3)\N=C\c4cc(C)cc(I)c4O,0.0
59897,CO-ADD:0221306,-0.65,c1(cc(n2c3ccc(cc3)F)c4ccccc4)c2CC(C)(C)CC1=O.CC(=O)O,0.0
59898,CO-ADD:0219400,-0.65,C(=O)(N\N=C\c(cc1)ccc1I)C(=O)NCc(cc2)ccc2C,0.0
59899,CO-ADD:0221406,-0.65,C(=O)(C1CCCN1CCC(C)C)Nc2c(C)cc(cc2C)C,0.0
59900,CO-ADD:0218152,-0.65,c1(C(O)=O)cc(oc1C)CSCc(c2)oc(c2C(O)=O)C,0.0
59901,CO-ADD:0225509,-0.65,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc(cc5)ccc5C(OC)=O)=O,0.0
59902,CO-ADD:0225677,-0.65,C1(=N2)N(C=CN=C1Oc3cccc(OC)c3)C(N2CC(=O)NCc4ccccc4Cl)=O,0.0
59903,CO-ADD:0225698,-0.65,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)Nc4c(F)ccc(F)c4)=O,0.0
59904,CO-ADD:0225547,-0.65,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc(cc4)ccc4CC)c2,0.0
59905,CO-ADD:0222488,-0.65,c1(ccccc1I)C(NCCCN(CC2)CCO2)=O.Cl,0.0
59906,CO-ADD:0222519,-0.65,C(=O)(NCC(=O)N\N=C(/C)\c1cccc(N)c1)c2ccc(c(OC)c2)OC,0.0
59907,CO-ADD:0222577,-0.65,N1(C(CCC)=O)c(ccc(c2)Br)c2OC1=O,0.0
59908,CO-ADD:0222618,-0.65,c1(C#N)c2c(sc1\N=C\c(ccc3[N+](=O)[O-])s3)CCCC2,0.0
59909,CO-ADD:0220489,-0.65,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2cccc(Br)c2)N(CCCC)CC)c1,0.0
59910,CO-ADD:0220917,-0.65,c(c(Br)c1Br)c(NCC(=O)N\N=C\c2cccc(Br)c2)c(c1)Br,0.0
59911,CO-ADD:0222348,-0.65,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c2cc(CC)ccc2O,0.0
59912,CO-ADD:0222454,-0.65,[N+](=O)([O-])c1ccc(cc1\C=N\NC(=O)c(cccn2)c2)O,0.0
59913,CO-ADD:0221970,-0.65,N(=C\c1ccccc1O)/c2c(C)cccc2O,0.0
59914,CO-ADD:0220763,-0.65,c(\C=N\NC(CNc(cc1)ccc1C)=O)(cc(OCO2)c2c3)c3Cl,0.0
59915,CO-ADD:0220777,-0.65,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNc2cccc(C)c2)=O)c3ccccc3Cl,0.0
59916,CO-ADD:0220449,-0.65,c1(OCC(=O)N\N=C\c(ccc2c3ccc(cc3)Cl)o2)c(C(C)C)cc(c(C)c1Br)Br,0.0
59917,CO-ADD:0222008,-0.65,S(=O)(=O)(c(ccc(c1C(=O)Nc(cc2)ccc2Cl)Cl)c1)Nc3ccccc3OC,0.0
59918,CO-ADD:0166044,-0.65,c1(ccccc1O)C(=O)N\N=C\c(cc2)ccc2C#N,0.0
59919,CO-ADD:0166318,-0.65,N1=C(N\N=C\c(cc2)ccc2OC)SC(C)C1=O,0.0
59920,CO-ADD:0166252,-0.65,S(=O)(=O)(Nc(cc1)ccc1I)c2ccc(c3c2)cccc3,0.0
59921,CO-ADD:0166399,-0.65,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)N(C)c2ccccc2,0.0
59922,CO-ADD:0215541,-0.65,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2cccc(c2)\C=N\NC(=O)c3ccccc3OC)c1,0.0
59923,CO-ADD:0215445,-0.65,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\Nc(cc3)ccc3[N+](=O)[O-],0.0
59924,CO-ADD:0215549,-0.65,C(=O)(N\N=C\c(ccc(c1OCC)OCc(cc2)ccc2Cl)c1)C(=O)Nc3ccccn3,0.0
59925,CO-ADD:0215453,-0.65,C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(/C2=O)\C(=O)NC(=O)N2,0.0
59926,CO-ADD:0166085,-0.65,C(=N/NC(=O)Cc1cccc(cccc2)c12)(/C3=O)\c4c(N3)ccc(c4)[N+](=O)[O-],0.0
59927,CO-ADD:0165922,-0.65,c1(c2c(cccc2)ccc1OC(=O)c3cccc(cccc4)c34)\C=N\c5ccccc5C,0.0
59928,CO-ADD:0165021,-0.65,NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl,0.0
59929,CO-ADD:0164552,-0.65,CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1,0.0
59930,CO-ADD:0225972,-0.65,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4onc(c5ccc(cc5)F)n4)C2=O,0.0
59931,CO-ADD:0225980,-0.65,n12c(ccc(c3ccc(c(C)c3)C)n1)nnc2CCC(=O)N(CC4)CCN4C(=O)c5ccco5,0.0
59932,CO-ADD:0226007,-0.65,C1(=N2)N(C=CN=C1N3CCC(CC3)C)C(N2CC(=O)Nc(cccc4C(OC)=O)c4)=O,0.0
59933,CO-ADD:0226568,-0.65,c12n(C=CN(c3cccc(F)c3)C1=O)c(nn2)SCC(=O)N(CC4)CCN4c5ccc(cc5)F,0.0
59934,CO-ADD:0221606,-0.66,c(C#N)(c1c2cccs2)c(SCC(=O)C34CC5CC(CC(C5)C3)C4)nc(N)c1C#N,0.0
59935,CO-ADD:0221237,-0.66,c1(C#N)c2c(sc1\N=C\c3ccc(C)o3)CCCC2,0.0
59936,CO-ADD:0218564,-0.66,C(=O)(Oc(ccc(c1C)C)c1)Nc(cc2)ccc2C,0.0
59937,CO-ADD:0218180,-0.66,S(c1ccccc1)(=O)(=O)N\N=C\c(cccc2[N+](=O)[O-])c2,0.0
59938,CO-ADD:0218596,-0.66,C(=O)(c1ccccc1C)Nc2ccccc2C(=O)N\N=C\c(cc3)ccc3OCCCCCCC,0.0
59939,CO-ADD:0218220,-0.66,C1(=O)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C\c(ccc(c4OC)OC)c4,0.0
59940,CO-ADD:0218592,-0.66,N(=C/c(ccc(c1O)O)c1)/Nc(cc2)ccc2C,0.0
59941,CO-ADD:0218608,-0.66,C(=O)(N\N=C/c1ccccc1)CN(CC)c2ccccc2,0.0
59942,CO-ADD:0295434,-0.66,c1(SCC(=O)Nc(ccc(c2Cl)F)c2)ncccn1,0.0
59943,CO-ADD:0294031,-0.66,[N+](=O)([O-])c1ccc(cc1)\C=N\c2ccccc2,0.0
59944,CO-ADD:0225563,-0.66,N1(C(C=CC(C(=O)Nc(cc2)ccc2OC)=C1)=NN3CC(=O)N(CC4)CCN4c5ccccc5)C3=O,0.0
59945,CO-ADD:0226455,-0.66,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCc4ccccc4Cl,0.0
59946,CO-ADD:0226311,-0.66,N1(C2=O)C(C=C(N=C1Nc(cc3)ccc3F)C)=NN2CC(=O)Nc4cc(C)ccc4C,0.0
59947,CO-ADD:0220191,-0.66,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C(/C)\c2ccc(cc2)C,0.0
59948,CO-ADD:0222808,-0.66,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)Oc(cc2)ccc2\C=N\c3ccccn3,0.0
59949,CO-ADD:0222706,-0.66,N1(c2cccc(c2)[N+](=O)[O-])CC(CC1=O)C(=O)Nc3ccccc3I,0.0
59950,CO-ADD:0222226,-0.66,[N+](=O)([O-])c1ccc(cc1\C=N\NC(CNc2cccc(cccc3)c23)=O)O,0.0
59951,CO-ADD:0222579,-0.66,n1cc(cc2c1cccc2)\N=C\c3ccccc3I,0.0
59952,CO-ADD:0219213,-0.66,c1(\C=N\NC(COc(cc2)ccc2OCCCCCCCC)=O)c(ccc(cccc3)c13)OCc4cccc(Br)c4,0.0
59953,CO-ADD:0219557,-0.66,c1(c2c([nH]c1)cccc2)C(=O)CC(c3ccccc3)=O,0.0
59954,CO-ADD:0221990,-0.66,C(=O)(NCC(=O)N\N=C(/CC)\c1ccccc1)c2ccco2,0.0
59955,CO-ADD:0166405,-0.66,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2cccc(C)c2)c3ccccc3OC(C)=O,0.0
59956,CO-ADD:0166274,-0.66,C(=O)(Nc(ccc(c12)OCO1)c2)c3cccs3,0.0
59957,CO-ADD:0166361,-0.66,C(=O)(C\C(\C)=N\NC(COc1cccc(C)c1)=O)Nc2ccc(cc2Cl)Cl,0.0
59958,CO-ADD:0166157,-0.66,c1(O)c(OCC)cc(cc1I)\C=N\NC(COc(ccc(c2C)C)c2)=O,0.0
59959,CO-ADD:0166182,-0.66,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(COc(ccc(c2C)C)c2)=O,0.0
59960,CO-ADD:0166078,-0.66,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c3ccco3,0.0
59961,CO-ADD:0166419,-0.66,N1(CNc2cccc(Br)c2)C(=O)\C(\SC1=S)=C\c(cc3)ccc3C(OC)=O,0.0
59962,CO-ADD:0166601,-0.66,C(=O)(N\N=C\c(ccc(c12)OCO1)c2)C(C)Oc(cc3)ccc3c4ccccc4,0.0
59963,CO-ADD:0166256,-0.66,[N+](=O)([O-])c(cccc1C(=O)Nc(cc2)ccc2I)c1,0.0
59964,CO-ADD:0164568,-0.66,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1.Cl.Cl,0.0
59965,CO-ADD:0165053,-0.66,CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C,0.0
59966,CO-ADD:0164938,-0.66,CNCCCCOc1ccccc1Cc1ccccc1.Cl,0.0
59967,CO-ADD:0225352,-0.66,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc(cccc5C(C)=O)c5,0.0
59968,CO-ADD:0226860,-0.66,N1(c(ccs2)c2C(N3CCCC)=O)C3=NN(CC(=O)c4ccc(c(OC)c4)OC)C1=O,0.0
59969,CO-ADD:0226012,-0.66,C1(=N2)N(C=CN=C1N3CCCC(C)C3)C(N2CC(=O)Nc4cc(OC)cc(OC)c4)=O,0.0
59970,CO-ADD:0226509,-0.66,c1(nnc2SC(C)C(=O)c3ccc(c(C)c3)C)n2C=CN(c4cccc(OC)c4)C1=O,0.0
59971,CO-ADD:0226805,-0.67,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(ccc(c4F)C)c4)c(nn1)C(C)C,0.0
59972,CO-ADD:0221668,-0.67,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cccc(I)c3,0.0
59973,CO-ADD:0221351,-0.67,N1(c2cccc(C)c2C)C(=O)C(C(C34)C1=O)C(CC3=O)c(c45)cccc5,0.0
59974,CO-ADD:0219298,-0.67,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cc4)ccc4N(C)C,0.0
59975,CO-ADD:0221429,-0.67,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)N\N=C\c3ccccc3,0.0
59976,CO-ADD:0221360,-0.67,C(CC1)(CCN1Cc2ccccc2)(Nc3ccccc3)C#N,0.0
59977,CO-ADD:0221530,-0.67,N1(c2ccc(cc2)NC(C)=O)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
59978,CO-ADD:0218239,-0.67,c1(cc(Cl)cc(\C=N\c2cccc(C)c2)c1O)[N+](=O)[O-],0.0
59979,CO-ADD:0218338,-0.67,c1(\C=N\NC(c(cc2)ccn2)=O)c(O)ccc(cccc3)c13,0.0
59980,CO-ADD:0218250,-0.67,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c2ccccc2OCc3cccc(Br)c3)c1,0.0
59981,CO-ADD:0218354,-0.67,C(=O)(N\N=C\c1ccco1)c2ccc(cc2)Br,0.0
59982,CO-ADD:0215676,-0.67,[N+](=O)([O-])c(cccc1C2OC(CC)(CC)c3c(cccc3)N2)c1,0.0
59983,CO-ADD:0226452,-0.67,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4c5c([nH]c4)cccc5,0.0
59984,CO-ADD:0226212,-0.67,S(=O)(=O)(N(c1ccc(cc1)C)CC(=O)OC(C)(C)C)c(ccc2n3c(C)nn2)c3,0.0
59985,CO-ADD:0226629,-0.67,C1(=NN(C2=O)Cc(cc3)ccc3C)N2C=CN(c4ccc(c(C)c4)C)C1=O,0.0
59986,CO-ADD:0225283,-0.67,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc3ccccc3C(F)(F)F)C2=O,0.0
59987,CO-ADD:0222357,-0.67,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c2cc(C)ccc2O,0.0
59988,CO-ADD:0222782,-0.67,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5Cl)Cl,0.0
59989,CO-ADD:0220942,-0.67,N(\C(=C/c1cccs1)\C(O2)=O)=C2c3ccc(cc3)OC(C)=O,0.0
59990,CO-ADD:0220984,-0.67,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c3cccc(F)c3,0.0
59991,CO-ADD:0220886,-0.67,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c3ccccc3Cl,0.0
59992,CO-ADD:0219987,-0.67,c1(ccccc1C(O)=O)C(=O)OCc2ccccc2,0.0
59993,CO-ADD:0219595,-0.67,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc2ccccc2C,0.0
59994,CO-ADD:0219587,-0.67,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc2c(C)cc(cc2C)C,0.0
59995,CO-ADD:0219290,-0.67,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cccc4[N+](=O)[O-])c4,0.0
59996,CO-ADD:0221930,-0.67,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc3ccccc3[N+](=O)[O-],0.0
59997,CO-ADD:0221830,-0.67,S(CCCCCCCCC)(=O)(=O)N\N=C\c1cccc(I)c1,0.0
59998,CO-ADD:0166280,-0.67,N1(CC2CCCO2)C(=O)c3c(cccc3)C1=O,0.0
59999,CO-ADD:0166614,-0.67,c1(ccccc1OCc2cccc(Br)c2)C(=O)N\N=C\c(cc3)ccc3OCCC,0.0
60000,CO-ADD:0165857,-0.67,[C@@H]1(C[C@@H]2S(=O)\N=C\c(ccc(F)c3)c3)[C@@H](C1(C)C)C[C@H]2C,0.0
60001,CO-ADD:0166542,-0.67,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)C(=O)Nc2cc(C)ccc2C,0.0
60002,CO-ADD:0218712,-0.67,C(C(c1ccc(cc1)OC)Nc(cc2)ccc2Br)C(=O)c3ccc(cc3)CC,0.0
60003,CO-ADD:0226821,-0.67,c12n(cnn1)c3c(cccc3)nc2SCC(=O)Nc4ccc(c(OC)c4)OC,0.0
60004,CO-ADD:0225944,-0.67,N12C(C=CC(c3ccccc3)=N1)=NN(Cc4ccccc4C)C2=O,0.0
60005,CO-ADD:0218306,-0.68,C(=O)(N\N=C\c(cc1)ccc1Br)c(cccn2)c2,0.0
60006,CO-ADD:0295873,-0.68,C1(C#N)=C(N)OC(=C2C1c(ccc3[N+](=O)[O-])o3)CCCC2=O,0.0
60007,CO-ADD:0295866,-0.68,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccc(cc3)CC,0.0
60008,CO-ADD:0293877,-0.68,C(C(OCC)=O)(N(C)NC(N1c2ccccc2)c(cc3)ccc3[N+](=O)[O-])=N1,0.0
60009,CO-ADD:0215292,-0.68,C(C#N)(C1c2ccc(cc2)F)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
60010,CO-ADD:0215300,-0.68,c(C#N)(cc(C(C)=O)c(n1)C)c1SCc(cc2)ccc2C(C)(C)C,0.0
60011,CO-ADD:0225291,-0.68,N12C(C=CC(S(=O)(=O)C(C)(C)C)=N1)=NN(CC(=O)Nc(cc3)ccc3Br)C2=O,0.0
60012,CO-ADD:0226475,-0.68,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc4cc(OC)cc(OC)c4,0.0
60013,CO-ADD:0226483,-0.68,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc4cccc(F)c4,0.0
60014,CO-ADD:0225276,-0.68,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc3cccc(CC)c3)C2=O,0.0
60015,CO-ADD:0225300,-0.68,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc4ccc(cc4C)C)C2=O,0.0
60016,CO-ADD:0220941,-0.68,C(=N/NC(COc1c(C(C)C)cc(c(C)c1Br)Br)=O)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
60017,CO-ADD:0220973,-0.68,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(c3c([nH]4)cccc3)c4,0.0
60018,CO-ADD:0219376,-0.68,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(CCCC)=O,0.0
60019,CO-ADD:0221876,-0.68,C(C(c(cc1)ccc1C(C)C)Nc(cc2)ccc2Br)C(=O)c3ccc(cc3)C,0.0
60020,CO-ADD:0219142,-0.68,C(=O)(Nc1cccc(F)c1)C(=O)NCC(C)C,0.0
60021,CO-ADD:0219795,-0.68,c1(O)c(cccc1\C=N\NC(CCCc(cc2)ccc2OC)=O)O,0.0
60022,CO-ADD:0220309,-0.68,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(CNc3cccc(C)c3)=O)o1,0.0
60023,CO-ADD:0220897,-0.68,c1(\C=N\NC(COc(cc2)ccc2OC)=O)c(Br)cc(c(O)c1Br)Br,0.0
60024,CO-ADD:0221006,-0.68,c1(\C=N\NC(COc2ccc(cc2OC)Br)=O)cc(C)ccc1O,0.0
60025,CO-ADD:0165047,-0.68,COc1ccc2cc(CCC(C)=O)ccc2c1,0.0
60026,CO-ADD:0218424,-0.68,c1(cc(c(cc1[N+](=O)[O-])n2)nc(c2Nc3ccccc3OC)N(CC)CC)[N+](=O)[O-],0.0
60027,CO-ADD:0218032,-0.68,n1c2c(oc1c(cccc3NC(=O)c4ccc(cc4Cl)Cl)c3)ccc(C)c2,0.0
60028,CO-ADD:0226816,-0.68,C1(=N2)N(C=Cn(nc(c3ccc(cc3)C)c4)c14)C(N2CC(=O)Nc(ccc(c5Cl)OC)c5)=O,0.0
60029,CO-ADD:0218553,-0.68,C(=C/c(cc1)ccc1N(C)C)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
60030,CO-ADD:0218256,-0.68,C1(=C(O)CC(C)(C)CC1=O)C(c2ccc(c(OC)c2)OC)C3C(=O)CC(CC3=O)(C)C,0.0
60031,CO-ADD:0218304,-0.68,S(OCCCc(cc1C(C)(C)C)cc(c1O)C(C)(C)C)(=O)(=O)c2ccc(cc2)C,0.0
60032,CO-ADD:0165036,-0.68,Oc1ncc(F)c(O)n1,0.0
60034,CO-ADD:0164660,-0.68,CN1[C@H]2CCC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C)c2ccccc12.Cl,0.0
60035,CO-ADD:0165048,-0.68,CN(C)c1nc(nc(n1)N(C)C)N(C)C,0.0
60036,CO-ADD:0215692,-0.68,N(C(=O)c1cccc(Cl)c1)c2c(Br)cc(cn2)Br,0.0
60037,CO-ADD:0215308,-0.68,C(C(OCC)=O)(C1c2cccc(OC)c2)=C(c3ccccc3)OC(N)=C1C#N,0.0
60038,CO-ADD:0166171,-0.69,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
60039,CO-ADD:0166596,-0.69,c1(ccccc1OCc2ccccc2)C(=O)N\N=C\c(cc3)ccc3Cl,0.0
60040,CO-ADD:0225523,-0.69,c12n(ccn(c(nn3)CCC(=O)N(CC4)CCN4c5ccccn5)c13)nc(c6ccc(c(C)c6)C)c2,0.0
60041,CO-ADD:0225667,-0.69,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)N(CC4)CCN4c5ccc(cc5)OC)=O,0.0
60042,CO-ADD:0225333,-0.69,c12n(ccn(nc(c3ccc(cc3)F)c4)c14)c(nn2)SCC(=O)Nc(cccc5C#N)c5,0.0
60043,CO-ADD:0226677,-0.69,C1(=NN(C2=O)Cc(cc3)ccc3C)N2C=CN(c4cccc(Cl)c4C)C1=O,0.0
60044,CO-ADD:0222704,-0.69,[N+](=O)([O-])c(cc1)ccc1c2ccc(cc2)\N=C\c3cc(Br)ccc3OC,0.0
60045,CO-ADD:0222382,-0.69,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\Nc(cc3)ccc3[N+](=O)[O-],0.0
60046,CO-ADD:0219134,-0.69,C(C(c1ccc(cc1)Br)Nc(cc2)ccc2CC)C(=O)c3ccc(cc3)CC,0.0
60047,CO-ADD:0219759,-0.69,c1(Cl)c(Cl)ccc(c1)\N=C\c(cc2)ccc2OCc3ccccc3,0.0
60048,CO-ADD:0220875,-0.69,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(cc3)ccc3O,0.0
60049,CO-ADD:0221031,-0.69,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)OCC2CCCCC2)c1,0.0
60050,CO-ADD:0219687,-0.69,C(=O)(N\N=C(\C)/CC(=O)Nc(cc1)ccc1C(C)C)C(=O)Nc2cccc(Cl)c2C,0.0
60051,CO-ADD:0219099,-0.69,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cccc(OC)c4,0.0
60052,CO-ADD:0221026,-0.69,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(=O)Nc(cc3)ccc3C(=O)N(CCCCCC)CCCCCC,0.0
60053,CO-ADD:0220865,-0.69,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc2cccc(OC)c2,0.0
60054,CO-ADD:0220182,-0.69,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(cc2)ccc2OC)c1,0.0
60055,CO-ADD:0220017,-0.69,C(=O)(N\N=C\C=C\c1ccccc1)N\N=C\C=C\c2ccccc2,0.0
60056,CO-ADD:0215618,-0.69,C(=O)(N(C(C)C)C(C)C)C\C(\C)=N\NC(=O)c1ccccc1N,0.0
60057,CO-ADD:0217929,-0.69,c(N)(c1c2CCCC1)c3c(n2)CCC3,0.0
60058,CO-ADD:0218001,-0.69,C(=C/c1cc(Br)ccc1OC)(/C(=O)NN2c3ccc(c(C)c3)C)\C2=O,0.0
60059,CO-ADD:0218474,-0.69,N(/NC(Cc1ccccc1)=O)=C(\C(C)C)/c2ccccc2,0.0
60060,CO-ADD:0217914,-0.69,c1(NC(COC(=O)c2ccccc2Br)=O)sc3c(ccc(OC)c3)n1,0.0
60061,CO-ADD:0218138,-0.69,C(=O)(NC(CC1(C)C)CC(N1)(C)C)C(NCCc(cc2)ccc2Cl)=O,0.0
60062,CO-ADD:0292229,-0.69,n1(CC2)c(C(N2CC(O)COc3ccccc3C)CCC4)c4c(cc(C)cc5)c15,0.0
60063,CO-ADD:0294274,-0.69,c1(OC(N)=C(C2c(cc3OC)cc(c3OC(=O)N(CC4)CCO4)OC)C#N)c2c(n[nH]1)C,0.0
60064,CO-ADD:0292264,-0.69,c1(c2ccccc2C)nnn(CC(O)=O)n1,0.0
60065,CO-ADD:0164573,-0.69,COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC.[O-]S(=O)(=O)c1ccccc1,0.0
60066,CO-ADD:0164535,-0.69,C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5n[nH]cc5C[C@]4(C)[C@H]3CC[C@]12C,0.0
60067,CO-ADD:0164951,-0.69,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(O)nc(N)nc12.Cl,0.0
60068,CO-ADD:0164983,-0.69,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.OC(=O)CCC(=O)O,0.0
60069,CO-ADD:0226673,-0.69,c1(C2=O)n(c(nn1)CC)c3c(cccc3)N2CC(=O)Nc(ccc(c45)OCCO4)c5,0.0
60070,CO-ADD:0226641,-0.69,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc(cc4)ccc4F,0.0
60071,CO-ADD:0226997,-0.69,n12c(ccc(N(C)CCCC)n1)nnc2CCc3onc(c4cc(OC)cc(OC)c4)n3,0.0
60072,CO-ADD:0226453,-0.69,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4c[nH]c(ccc(OC)c5)c45,0.0
60073,CO-ADD:0226469,-0.69,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)Nc4c(OC)ccc(Cl)c4,0.0
60074,CO-ADD:0220852,-0.7,S(=O)(=O)(c1ccc(cc1)CCCl)Nc(cc2)c(C)cc2[N+](=O)[O-],0.0
60075,CO-ADD:0220176,-0.7,C(=O)(c1ccc(cc1)NC(CCCCCCC)=O)OC2CCCCCCCCCCC2,0.0
60076,CO-ADD:0220002,-0.7,[N+](=O)([O-])c1ccc(cc1)\C=N\OC(=O)Nc2ccccc2,0.0
60077,CO-ADD:0220644,-0.7,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)O)c1,0.0
60078,CO-ADD:0220586,-0.7,c1(OCC(=O)N\N=C\c(ccc(c2I)OC)c2)c(Br)cc(cc1Br)Br,0.0
60079,CO-ADD:0219628,-0.7,C(=O)(N\N=C\c1ccccc1Cl)C(=O)Nc2ccc(cc2C)Cl,0.0
60080,CO-ADD:0220255,-0.7,C(=N\NC(CNc(cc1)ccc1C)=O)(/c2c(N3C)cccc2)\C3=O,0.0
60081,CO-ADD:0219745,-0.7,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c2ccccc2Cl,0.0
60082,CO-ADD:0219128,-0.7,C1(=C(C)NC(NC1=O)=O)C(F)(F)C(F)(F)C(F)(F)F,0.0
60083,CO-ADD:0221856,-0.7,C(=O)(C(NCCC(C)C)=O)Nc1ccccc1F,0.0
60084,CO-ADD:0214894,-0.7,S(=O)(=O)(N(CC)CC)c1ccc(cc1)N\C=C(/C2=O)\C(=O)NC(=S)N2,0.0
60085,CO-ADD:0214923,-0.7,C(OCc1ccccc1)(=O)NCC(=O)N\N=C\c(cc2)ccc2F,0.0
60086,CO-ADD:0215619,-0.7,N#Cc(cc1)ccc1\C=N\NC(CCc2ccccc2)=O,0.0
60087,CO-ADD:0215635,-0.7,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)Br)Nc2cc(C)ccc2OC,0.0
60088,CO-ADD:0214957,-0.7,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2c(C)ccc(Cl)c2,0.0
60089,CO-ADD:0215321,-0.7,c(C#N)(c1c2cccs2)c(SCC(=O)Nc3ccccc3C)nc(N)c1C#N,0.0
60090,CO-ADD:0215401,-0.7,C12(c3c(NC1=O)cccc3)C4=C(CC(C)(C)CC4=O)OC(N)=C2C#N,0.0
60091,CO-ADD:0215577,-0.7,C(=O)(c1ccc(cc1)OC)Oc2cc(ccc2\C=N\c(cc3)ccc3OC)OC(=O)c4ccc(cc4)OC,0.0
60092,CO-ADD:0164766,-0.7,CCCC(C)(COC(N)=O)COC(=O)NC(C)C,0.0
60093,CO-ADD:0164798,-0.7,Cn1c2[nH]cnc2c(=O)n(C)c1=O,0.0
60094,CO-ADD:0164708,-0.7,CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1,0.0
60095,CO-ADD:0157603,-0.7,O=C(N1C2=CC=CC=C2)C(C(C3=C(O)C=C(OC)C=C3)C(C(N4C5=CC=CC=C5)=O)=C(C)N4C)=C(C)N1C,0.0
60096,CO-ADD:0157639,-0.7,O=C(C1=CC=CC=C1)NC(CCSC)C(OCC(N=C(C2=CC=CC=C2)O3)=C3COC(C(CCSC)NC(C4=CC=CC=C4)=O)=O)=O,0.0
60097,CO-ADD:0157129,-0.7,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(NC(CSCC2=CC=CC=C2)C(N/N=C/C(C=C3)=CC=C3OCCC)=O)=O)=C1)=O,0.0
60098,CO-ADD:0157876,-0.7,ClC1=CC(Cl)=CC=C1CN(N=C2)C3=C2C(NCC4=CC=CO4)=NC=N3,0.0
60099,CO-ADD:0157520,-0.7,O=S(NCC1=NC(C=CC=C2)=C2N1)(C(C=C3)=CC=C3C)=O,0.0
60100,CO-ADD:0157924,-0.7,FC1=CC=CC=C1/C=N/NC2=NC(N3CCOCC3)=NC(NC4=CC=CC5=C4C=CC=C5)=N2,0.0
60101,CO-ADD:0157597,-0.7,O=C(C1=CC=CC=C1)OC(C(Br)=C2)=C(Br)C=C2/C=N/C3=CC=C(C=C3)/N=C/C4=CC(Br)=C(C(Br)=C4)OC(C5=CC=CC=C5)=O,0.0
60102,CO-ADD:0157359,-0.7,O=C1/C(N=C(C2=CC=CC(Br)=C2)O1)=C/C3=CC=C(C)O3,0.0
60103,CO-ADD:0158423,-0.7,O=C(C(C=C1)=CC=C1NC(C)=O)NNC(CCCCCCC)=O,0.0
60104,CO-ADD:0158223,-0.7,O=C(N/N=C/C(C=CC=C1)=C1OCCCC)C2C3C2CCCCCC3,0.0
60105,CO-ADD:0159685,-0.7,O[C@@H]1[C@H](O)[C@@H](COP(O[C@H](C)CC2[C@@H](O)[C@@H](O)[C@H](O)[C@@H]([C@H](O)CO)O2)(O)=O)O[C@H]1N(C=N3)C4=C3C(N)=NC=N4.CCN(CC)CC,0.0
60106,CO-ADD:0217290,-0.71,c1(ccc(\C=N\c(cc2)ccc2OCCCCC)o1)Sc3cccc(cccn4)c34,0.0
60107,CO-ADD:0217589,-0.71,c1(OC)c(OC)ccc(\C=N\NC(=O)c(cc2OC)cc(c2OC)OC)c1OC,0.0
60108,CO-ADD:0217645,-0.71,N1(SCCCC)C(=O)c2c(cccc2)C1=O,0.0
60109,CO-ADD:0157531,-0.71,[O-][N+](C1=CC(Br)=CC(/C=N/C2=CC3=C(C=C2)OC(C4=CC=CC(C)=C4)=N3)=C1O)=O,0.0
60110,CO-ADD:0157875,-0.71,[O-][N+](C1=CC(Cl)=CC(/C=N/C2=CC=C(C=C2)C(OCC)=O)=C1O)=O,0.0
60111,CO-ADD:0157927,-0.71,O=C(OCC)C1=C(NC(COC2=CC=C(OC)C=C2)=O)SC3=C1CCCC3,0.0
60112,CO-ADD:0163581,-0.71,C(=N/NC(=O)c1ccc(cc1)C)(/c(cc(Br)cc2C)c2N3C)\C3=O,0.0
60113,CO-ADD:0163645,-0.71,c(ccc(n1)C)(c1)C(=O)N\N=C\c2cc(Cl)ccc2OC,0.0
60114,CO-ADD:0156882,-0.71,O=C(C(C=CC=C1)=C1C)N(C2=CC=C(OCC)C=C2)C3=NC(C(F)(F)F)=C(C4=CC=CC5=CC=CC=C45)S3,0.0
60115,CO-ADD:0157711,-0.71,O=C(NC1=CC=C(N(C)C)C=C1)COC2=C(C(C)C)C=CC(C)=C2,0.0
60116,CO-ADD:0217213,-0.71,C(=O)(Nc1ccccc1OCC(F)(F)C(F)F)c2ccccc2Br,0.0
60117,CO-ADD:0157464,-0.71,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=C(C=CC=C4)C4=CC5=C3C=CC=C5)=NC(N(CCCC)CCCC)=N2)=O,0.0
60118,CO-ADD:0157496,-0.71,O=C(N/N=C/C1=C(OCCC)C=CC(Br)=C1)C(C)OC2=CC(Cl)=CC=C2,0.0
60119,CO-ADD:0157848,-0.71,[O-][N+](C1=CC(C)=CC(/C=N/C2=CC=C(C=C2)C(OC)=O)=C1O)=O,0.0
60120,CO-ADD:0157075,-0.71,N#CC1=C(N)OC(N(C2=CC=CC=C2)N=C3C)=C3C1C(C=C4Br)=CC=C4F.[Na+],0.0
60121,CO-ADD:0158119,-0.71,[O-][N+](C1=CC(N)=CC(C(N/N=C(C)/CC(NC(C(C)=C2)=C(C)C=C2C)=O)=O)=C1)=O,0.0
60122,CO-ADD:0157423,-0.71,[O-][N+](C(C=C1)=CC=C1/C=N/NC(/C(NC(C2=CC=CC=C2)=O)=C/C(C=C3)=CC=C3OCCC)=O)=O,0.0
60123,CO-ADD:0158080,-0.71,O=C(N/N=C/C1=CC=C(C=C1)N(C)C)CN(C)C2=CC=CC=C2,0.0
60124,CO-ADD:0158051,-0.71,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(OC2=CC=CC(/C=N/C(C=C3)=CC=C3I)=C2)=O)=C1)=O,0.0
60125,CO-ADD:0217539,-0.71,n1c2c(oc1c3cccc(c3)\N=C\c(cc(I)cc4I)c4O)cccc2C,0.0
60126,CO-ADD:0157978,-0.71,O=C(C1)N(C(C=C2)=CC=C2Br)CC1C(NC3=CC=CC(OC)=C3)=O,0.0
60127,CO-ADD:0217210,-0.71,C(=O)(Nc(c(ccc1C(F)(F)F)OCC(F)(F)C(F)F)c1)c2ccccc2Br,0.0
60128,CO-ADD:0217474,-0.71,c1(oc(c2n1)cccc2)c3ccc(cc3O)\N=C\c4c(O)c(OC)cc(Br)c4Br,0.0
60129,CO-ADD:0157206,-0.71,[O-][N+](C1=CC(OC)=CC=C1NC(COC(C=CC=C2)=C2C)=O)=O,0.0
60130,CO-ADD:0157038,-0.72,N#CC1=C(SCC(NC2=CC([N+]([O-])=O)=CC=C2)=O)N=C(C3=CC=CS3)C=C1C4=CC=CC=C4,0.0
60131,CO-ADD:0158306,-0.72,O=C(NN=C(CC1=CC=CC=C1)CC2=CC=CC=C2)CC3=CNC4=C3C=CC=C4,0.0
60132,CO-ADD:0216843,-0.72,C(N(CC=C)CC=C)(=S)Oc(cc1)ccc1C(=O)Nc2cccc(cccc3)c23,0.0
60133,CO-ADD:0217611,-0.72,s1c(\C=N\NC(COc(cc2)ccc2CC)=O)ccc1Br,0.0
60134,CO-ADD:0216838,-0.72,[N+](=O)([O-])c1cc(ccc1OC(c2ccccc2)=O)\C=N\NC(=O)c3ccccc3[N+](=O)[O-],0.0
60135,CO-ADD:0217034,-0.72,c1(\N=C\c2ccc(cc2Cl)Cl)sc3c(ccc(C)c3)n1,0.0
60136,CO-ADD:0217107,-0.72,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(CSc3c(ccc(c4cccs4)n3)C#N)OC(N)=C1C#N,0.0
60137,CO-ADD:0217047,-0.72,c1(c(C)ccc(Cl)c1)NC(CSCc(cc2)ccc2Cl)=O,0.0
60138,CO-ADD:0217335,-0.72,n1c2c(oc1c(cc3)ccc3C(C)(C)C)ccc(c2)\N=C\c4cccc(I)c4O,0.0
60141,CO-ADD:0217225,-0.72,c1(\C=N\NC(CCC(=O)NC2CCCCC2)=O)c(O)ccc(cccc3)c13,0.0
60142,CO-ADD:0217273,-0.72,C(=C/c(ccc1N(C)C)o1)(/C2=O)\C(=O)OC(C)(C)O2,0.0
60143,CO-ADD:0217473,-0.72,c1(\C=N\c(ccc(c23)oc(c4ccc(cc4)OC)n2)c3)c(O)c(OC)cc(Br)c1Br,0.0
60144,CO-ADD:0215205,-0.72,c1(N(CC2)CCO2)nc(N\N=C\c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3)nc(Nc4cc(C)ccc4C)n1,0.0
60145,CO-ADD:0217150,-0.72,C(C#N)(=C(N)OC(=C12)\C(\CC1)=C\c3ccccc3Cl)C2c4ccccc4Cl.[Na+],0.0
60146,CO-ADD:0216974,-0.72,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c(cc3)ccc3OC,0.0
60147,CO-ADD:0217310,-0.72,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C/c(cc3)ccc3OC,0.0
60148,CO-ADD:0157107,-0.72,O=C(C1=CC=CC=C1Cl)N/C(C(N/N=C/C2=CC(OC)=CC=C2O)=O)=C/C3=CC=CS3,0.0
60149,CO-ADD:0157123,-0.72,O=C(N(C1=CC=CC=C1)N=C/2C)C2=C/NC(C=CC=C3)=C3Br,0.0
60150,CO-ADD:0157347,-0.72,O=C(CNC(C=CC=C1)=C1C)N/N=C/C2=CC=CC=C2,0.0
60151,CO-ADD:0157308,-0.72,O=C1C2=C(CCC1)OC(CCC3)=C(C3=O)C2C4=CC=CC(OC)=C4,0.0
60152,CO-ADD:0157212,-0.72,OC1=C(C=CC=C1)/C=N/C2=CC3=C(C=C2)NC(C4=CC=C(C=C4)C(N5)=NC6=C5C=CC(/N=C/C7=CC=CC=C7O)=C6)=N3,0.0
60153,CO-ADD:0163662,-0.72,C(=O)(Oc(ccc(c12)cccc1)c2)Nc3cccc(OCC)c3,0.0
60154,CO-ADD:0163086,-0.72,C(OC(N)=C(C1c2cc(C)ccc2C)C#N)(NC(=O)NC3=O)=C13,0.0
60155,CO-ADD:0216850,-0.72,C(=O)(N\N=C\c(cc1)ccc1F)C(C)NC(OCc2ccccc2)=O,0.0
60156,CO-ADD:0217436,-0.72,c1(oc(c2n1)ccc(c2)\N=C\c(ccc3c(cccc4C(O)=O)c4)o3)c5cccc(Cl)c5Cl,0.0
60157,CO-ADD:0215229,-0.72,N1(c(ccc(c2)Cl)c2OC1=S)C(=O)c3ccc(cc3)C,0.0
60158,CO-ADD:0215173,-0.72,C(=O)(Nc(cc1)ccc1C(OCCCCCCC)=O)c2ccco2,0.0
60159,CO-ADD:0217741,-0.72,C1(OC(C)=O)C(SC(C)=O)OC(C(OC(C)=O)C1OC(C)=O)COC(C)=O,0.0
60160,CO-ADD:0214986,-0.72,C(/C1)(=C/c2ccccc2)\C(=O)\C(\CN1CCC)=C\c3ccccc3,0.0
60161,CO-ADD:0157295,-0.73,O=C(N/N=C/C1=CC(OC)=CC=C1Br)C(C=CC=C2)=C2OCC3=CC=CC(Br)=C3,0.0
60162,CO-ADD:0157135,-0.73,O/C(C(C=C1)=CC=C1Cl)=C\C(C)=N\C2=C(OC)C=C(OC)C=C2,0.0
60163,CO-ADD:0217030,-0.73,c1(\N=C\c(cc2)ccc2Br)sc3c(ccc(C)c3)n1,0.0
60164,CO-ADD:0217062,-0.73,C(=O)(N\N=C\c(cc1)ccc1I)C(=O)Nc2cc(C)ccc2C,0.0
60165,CO-ADD:0216947,-0.73,C(=O)(N\N=C(/C)\CC(=O)Nc1cc(C)ccc1OC)c2cc(OC)cc(OC)c2,0.0
60166,CO-ADD:0157220,-0.73,BrC1=CC(N(C(C(C=C2)=CC=C2Cl)C3)N=C3C4=CC=C(Br)C=C4)=CC=C1,0.0
60167,CO-ADD:0157173,-0.73,O=C(C1=C2C=CC(C(O)=O)=C1)N(C(C=C3)=CC=C3/C=C/C(C4=CC=CC=C4)=O)C2=O,0.0
60168,CO-ADD:0217572,-0.73,C(=O)(CN1CCCCC1)Nc(cc2)ccc2C(OC)=O,0.0
60169,CO-ADD:0215002,-0.73,[N+](=O)([O-])c1cc(C)ccc1NC(OCCF)=O,0.0
60170,CO-ADD:0217698,-0.73,N(C(CCC(=O)N\N=C\c(cc1)ccc1OC)=O)c2ccc(cc2C)I,0.0
60171,CO-ADD:0217730,-0.73,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(cc1)ccc1F,0.0
60172,CO-ADD:0215243,-0.73,c1(NCC(=O)N\N=C(/C)\CCC(C)C)c(Br)cc(cc1Br)Br,0.0
60173,CO-ADD:0215846,-0.73,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4Oc(ccc(c5C6=O)C(O6)=O)c5,0.0
60174,CO-ADD:0215462,-0.73,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(cc2)ccc2OC(C)=O,0.0
60175,CO-ADD:0157558,-0.73,OC1=C(C=C(C2=CC=CC=C2)N3)C3=CC(Cl)=C1,0.0
60176,CO-ADD:0157530,-0.73,[O-][N+](C1=CC(OC)=CC=C1/N=C\C2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)=O,0.0
60177,CO-ADD:0157810,-0.73,[O-][N+](C1=C(O)C(/C=N/C2=CC=C(C=C2)C(OCC)=O)=CC(C)=C1)=O,0.0
60178,CO-ADD:0157873,-0.73,[O-][N+](C1=C(O)C(/C=N/C2=CC3=C(C=C2)OC(C4=CC=C(OC)C=C4)=N3)=CC(Cl)=C1)=O,0.0
60179,CO-ADD:0157630,-0.73,O=C(C1=CC(C)=CC=C1)NC2=CC=C(C=C2)C(NC3=CC=CC(CC)=C3)=O,0.0
60180,CO-ADD:0157638,-0.73,[O-][N+](C1=CC=CC(C(N2CCN(CCNC(C(NC3=CC=CC=C3)=O)=O)CC2)=O)=C1)=O,0.0
60181,CO-ADD:0217147,-0.73,C(C#N)(=C(N)O1)C(c2ccccc2Cl)C3=C1\C(\CCC3)=C\c4ccccc4Cl,0.0
60182,CO-ADD:0216919,-0.73,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c3ccc(cc3C)C,0.0
60183,CO-ADD:0217339,-0.73,c1(N(CC2)CCO2)nc(N\N=C\c(cccn3)c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
60184,CO-ADD:0217075,-0.73,c1(\N=C\c(cc2)ccc2OC)sc(c3n1)ccc(cccc4)c34,0.0
60185,CO-ADD:0157944,-0.73,O=C(NC1=CC=C(Br)C=C1)/C=C/C2=CC(Br)=CC=C2,0.0
60186,CO-ADD:0157976,-0.73,[O-][N+](C(C=C1)=CC=C1C(N2C(C3=CC=NC=C3)(O)CC(C)=N2)=O)=O,0.0
60187,CO-ADD:0157992,-0.73,N#CC(C(SCC)=N1)=C(C(C=C2)=CC=C2OC)C=C1C3=CC=CC=C3,0.0
60188,CO-ADD:0215231,-0.74,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3OCCC)CCCC2,0.0
60189,CO-ADD:0215256,-0.74,C(=O)(c1ccc(cc1)Oc2ccccc2)Nc3ccc(cn3)Cl,0.0
60190,CO-ADD:0214984,-0.74,N(/c(cc1)ccc1Oc(cc2)ccc2\N=C\c(ccc(c3OC)OCCCCCC)c3)=C\c(ccc(c4OC)OCCCCCC)c4,0.0
60191,CO-ADD:0157830,-0.74,O=C1/C(N=C(C2=CC=CC(C)=C2)O1)=C\C3=CC=C(C)C=C3,0.0
60192,CO-ADD:0157613,-0.74,O=C(C1=CC=C(Cl)C=C1)NC2=CC=C3OC(C4=C(Cl)C=C(Cl)C=C4)=NC3=C2,0.0
60193,CO-ADD:0217124,-0.74,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccccc2,0.0
60194,CO-ADD:0216980,-0.74,C(=O)(C\C(\C)=N\NC(Cc(cc1)ccc1Cl)=O)Nc2cc(C)ccc2OC,0.0
60195,CO-ADD:0217151,-0.74,C(C(OCCOC)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
60196,CO-ADD:0216967,-0.74,C(CSCc1ccccc1C)(=O)N\N=C\c(ccc(c2OC)OCC=C)c2,0.0
60197,CO-ADD:0157948,-0.74,O=C(COC1=CC(Br)=CC=C1)N/N=C/C2=C(O)C=C(O)C=C2C,0.0
60198,CO-ADD:0157988,-0.74,N#CC1=C(N)SC(N)=C(C#N)C1C2=CC=CC=C2,0.0
60199,CO-ADD:0215209,-0.74,c1(N(CC2)CCO2)nc(N\N=C\c3cccc(Br)c3)nc(Nc(cccc4C(F)(F)F)c4)n1,0.0
60200,CO-ADD:0215035,-0.74,C(C1)(C2)(CN(C3)CN1CN23)\C(\c4ccc(cc4)Br)=N/N,0.0
60201,CO-ADD:0217731,-0.74,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(cc1)ccc1Br,0.0
60202,CO-ADD:0215247,-0.74,c1(c2ccccc2C)nnc(c(cc3)ccc3c4ccccc4)o1,0.0
60203,CO-ADD:0157749,-0.74,O=C(COC(C(Br)=C1)=CC=C1C)N/N=C/C2=CC=C(C)C=C2,0.0
60204,CO-ADD:0157912,-0.74,O=C1N(C2=CC=CC=C2)C3=C(C1)C(C=C4OC)=C(C=C4OC)C(OC(C)=O)(C)O3,0.0
60205,CO-ADD:0157465,-0.74,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=C(O)C=CC(I)=C3)=NC(N4CCCCC4)=N2)=O,0.0
60206,CO-ADD:0157505,-0.74,O=C(N)C1=C(N=CC=C1)NCC2=CC=CC=C2.Cl,0.0
60207,CO-ADD:0157625,-0.74,N#CC1=C(NC(C2=CC(C(NC3=C(C#N)C(CCC4)=C4S3)=O)=CC=C2)=O)SC5=C1CCC5,0.0
60208,CO-ADD:0157286,-0.74,[O-][N+](C1=CC(/C=N/NC(COC(C=C2)=CC=C2CCCCC)=O)=C(O)C=C1)=O,0.0
60209,CO-ADD:0163052,-0.74,N(C(CCC1CCCC1)=O)c2ccc(cn2)Br,0.0
60210,CO-ADD:0163060,-0.74,S(=O)(=O)(N(CCCC)CCCC)c(cccc1S(=O)(=O)c2ccc(cc2)Br)c1,0.0
60211,CO-ADD:0154563,-0.74,ClCCN1CCCC1.Cl,0.0
60212,CO-ADD:0215007,-0.74,N1(c2ccccc2N3C(=O)C(C4C3=O)C(c5ccccc5)(C(C46c7ccccc7)=O)C(=C6c8ccccc8)c9ccccc9)C(=O)C%10C(C1=O)C%11(C(=O)C%10(c%12ccccc%12)C(=C%11c%13ccccc%13)c%14ccccc%14)c%15ccccc%15,0.0
60213,CO-ADD:0215241,-0.74,N1(c2ccc(cc2)Oc(cc3)ccc3N4C(=O)c(c5C4=O)ccc(c5)C(=O)Nc6cccc(O)c6)C(=O)c(c7C1=O)ccc(c7)C(=O)Nc8cccc(O)c8,0.0
60214,CO-ADD:0215025,-0.74,c1(SCC(=O)N\N=C\c(cc2)ccc2F)[nH]c(c3n1)cccc3,0.0
60215,CO-ADD:0215041,-0.74,C(CN(CCN1C(c2ccccc2)=O)CN3C(c4ccccc4)=O)(C1)(C3)[N+](=O)[O-],0.0
60216,CO-ADD:0156999,-0.74,N#CC1=C(SCC(OCC2=CC=CC=C2)=O)N=C(CC)C(C)=C1,0.0
60217,CO-ADD:0157023,-0.74,N#CC1=C(SC(C)C(OCC)=O)N=C(C2=CC=CC=C2)C=C1C3=CC=C(OC)C=C3,0.0
60218,CO-ADD:0157475,-0.74,ClC1=CC(Cl)=CC=C1C2=C(/N=C/C3=CC=CC(I)=C3)N(C=CC=C4)C4=N2,0.0
60219,CO-ADD:0163676,-0.74,C(=O)(N\N=C\c(cc1)ccc1Br)C(=O)NC(C)c2ccccc2,0.0
60220,CO-ADD:0163679,-0.74,c1(c2ccc(cc2)Br)ccc(\C=N\NC(CCCCCCC)=O)o1,0.0
60221,CO-ADD:0163048,-0.74,N(CC#C)(CC(O)CC(C)C)C(C)(C)C.Cl,0.0
60222,CO-ADD:0163656,-0.74,C(O)(=O)c1ccc(cc1)\C=N\NC(=O)Cc2cccc(cccc3)c23,0.0
60223,CO-ADD:0163672,-0.74,C(=O)(Nc(cc1)ccc1OCCCCC)c2ccccc2F,0.0
60224,CO-ADD:0158020,-0.74,O=C(N/N=C/C1=CC=CO1)C(NC(C=CC=C2)=C2F)=O,0.0
60225,CO-ADD:0216855,-0.74,n1(cnc(c1)n2cc(c3ccccc3F)nn2)C(C)(C)C,0.0
60226,CO-ADD:0217663,-0.74,C(=O)(N\N=C\c1cccc(OC)c1)c2ccc(cc2)NC(CCCCC)=O,0.0
60227,CO-ADD:0217207,-0.74,C(F)(F)(COc1ccc(cc1NC(=O)c2cccc(Br)c2)C(F)(F)F)C(F)F,0.0
60228,CO-ADD:0215202,-0.74,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3OC)OC)c3)nc(Nc(cccc4C(F)(F)F)c4)n1,0.0
60229,CO-ADD:0215362,-0.75,C(C(=O)OC(C)C)(C1c2ccccc2)=C(CSc3nc(C)c(c(C)c3C#N)C)OC(N)=C1C#N,0.0
60230,CO-ADD:0157579,-0.75,O=S(C1=CC=CC2=NSN=C12)(NCCN3CCCC3)=O,0.0
60231,CO-ADD:0163096,-0.75,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4Br)OC)c4)\C1=O,0.0
60232,CO-ADD:0163249,-0.75,N(\C(=C\c(cc1)ccc1OC)\C(O2)=O)=C2c3ccccc3,0.0
60233,CO-ADD:0163305,-0.75,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C(/C)\c2ccc(cc2)OC,0.0
60234,CO-ADD:0163227,-0.75,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2ccccc2CC,0.0
60235,CO-ADD:0163595,-0.75,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(cc3)cc(c3N(C)C)Br,0.0
60236,CO-ADD:0158452,-0.75,O=S(C1=C(Br)C=CC(C(NC2=CC=CC=C2)=O)=C1)(NC3=CC=C(C=C3)C(O)=O)=O,0.0
60237,CO-ADD:0158013,-0.75,N#CC1=C(Cl)C(Cl)=C(N/N=C\C2=CC=C(C(OC)=C2)O)N=C1Cl,0.0
60238,CO-ADD:0157990,-0.75,O=C(O/N=C/C(NC1=CC=C(C)C=C1)=O)NC2=CC=C(Cl)C=C2,0.0
60239,CO-ADD:0217632,-0.75,C(COc(cc1)ccc1OCc2ccccc2)(=O)N\N=C\c3ccc(cc3Cl)Cl,0.0
60240,CO-ADD:0217400,-0.75,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(cccn2)c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
60241,CO-ADD:0217208,-0.75,C(F)(F)(COc1ccc(cc1NC(=O)c2cccc(C)c2)C(F)(F)F)C(F)F,0.0
60242,CO-ADD:0160198,-0.75,BrC1=C(O)C(/C=N/C2=CC(N=C(C(C=C3)=CC=C3C)O4)=C4C=C2)=CC(Cl)=C1,0.0
60243,CO-ADD:0158333,-0.75,BrC1=CC=CC=C1N(C(C2=CC=C(Br)C=C2)C3)N=C3C4=CC=C(Cl)C=C4,0.0
60244,CO-ADD:0157549,-0.75,O=C(C1=CC=C(Br)C=C1)N2CCN(CCNC(C(NC(C=C3)=CC=C3OC)=O)=O)CC2,0.0
60245,CO-ADD:0217551,-0.75,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Cl)cc3[N+](=O)[O-])c3O)c4ccc(cc4Cl)Cl,0.0
60246,CO-ADD:0158278,-0.75,[O-][N+](C1=CC(C2=CC=C(/C=N/C3=CC(OC4=C5C=CC=C4)=C5C=C3)O2)=CC=C1)=O,0.0
60247,CO-ADD:0216976,-0.75,C(=O)(C\C(\C)=N\NC(C(C)C)=O)Nc1cc(C)ccc1OC,0.0
60248,CO-ADD:0217364,-0.75,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(ccc2c(ccc(c3Cl)F)c3)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
60249,CO-ADD:0217141,-0.75,C1(C#N)(C#N)C(N)=C(C#N)C(C(C2)C1(CC3)CCN3C(C)=O)=CCN2C(C)=O,0.0
60250,CO-ADD:0217173,-0.75,S(=O)(=O)(c1ccc(cc1)Cl)NC(Cc2ccccc2)C(OC)=O,0.0
60251,CO-ADD:0158448,-0.75,O=C(C1(CCCCC1)C)NC2=CC=C(C=C2)C(NC3=CC=CC=C3OCC)=O,0.0
60252,CO-ADD:0158472,-0.75,O=C(N/N=C/C1=CC=C(C=C1)Br)C2=CC(Br)=C(OC)C=C2,0.0
60253,CO-ADD:0158496,-0.75,[O-][N+](C1=CC(C=C2C(NC(NC2=O)=O)=O)=CC=C1N(C)C)=O,0.0
60254,CO-ADD:0158337,-0.75,[O-][N+](C1=CC=C(C=C1)N(N=C/2C3=CC=CC=C3)C(C2=C/C(C=C4)=CC=C4Cl)=O)=O,0.0
60255,CO-ADD:0217057,-0.75,c1(OC(C)=O)c(Br)cc(cc1Br)\C=N\c(cc2)ccc2C,0.0
60256,CO-ADD:0217081,-0.75,C(=O)(N\N=C\c1ccccc1Cl)C(NCCC)=O,0.0
60257,CO-ADD:0217320,-0.76,c1(ccc(\C=N\NC(CNc2cccc(cccc3)c23)=O)o1)c4cc(Cl)ccc4Cl,0.0
60258,CO-ADD:0217169,-0.76,C1(C2c(cc3)ccn3)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
60259,CO-ADD:0158437,-0.76,[O-][N+](C(C=C1)=CC=C1C(NC2=CC=C(C=C2)C(N(C3=CC=CC=C3)C4=CC=CC=C4)=O)=O)=O,0.0
60260,CO-ADD:0158221,-0.76,O=C(COC(C=C1)=CC=C1Cl)N/N=C/C(C=C(OC)C=C2)=C2OCC3=CC=CC(Br)=C3,0.0
60261,CO-ADD:0158461,-0.76,O=S(C(C=C1)=CC=C1C(NC2=CC=CC=N2)=O)(C3=CC=CC=C3)=O,0.0
60262,CO-ADD:0158388,-0.76,O=C(C1)NC(C(C=CC=C2)=C2C=C3)=C3C1C(C=C4)=CC=C4OC,0.0
60263,CO-ADD:0157260,-0.76,O=C(CCC(N/N=C/C1=CC=CO1)=O)NC2=C(C)C(Cl)=CC=C2,0.0
60264,CO-ADD:0158358,-0.76,O=C(C1=CC=CC=C1)NC(CCC)C(OC/C(C2=CC=CC=C2)=N/O)=O,0.0
60265,CO-ADD:0217177,-0.76,S(=O)(=O)(c1ccc(cc1)I)NCC(NCC)=O,0.0
60266,CO-ADD:0217162,-0.76,c(C(=O)c1ccc(cc1)Br)(sc(c23)nc(c4c2c5ccc(cc5)OC)CCC4)c3N,0.0
60267,CO-ADD:0157289,-0.76,O=C1C2=C(CCC1)OC(CCC3)=C(C3=O)C2C(C=C4OC)=CC=C4O,0.0
60268,CO-ADD:0157321,-0.76,O=C(COC(C(Br)=C1)=CC=C1C)N/N=C/C2=C(C=CC=C3)C3=CC4=C2C=CC=C4,0.0
60269,CO-ADD:0157838,-0.76,ClC(C=C1)=C(C=C1/N=C/C2=C(O)C=CC(Cl)=C2)C3=NC(C=CC=C4)=C4O3,0.0
60270,CO-ADD:0158406,-0.76,O=C(C1=CC=CC(Br)=C1)NC2=CC=C(C=C2)C(NC3=CC=C(OC)C=C3)=O,0.0
60271,CO-ADD:0157737,-0.76,O=C(N/N=C/C1=CC=CC=C1)C(NC2=C(C)C=C(Cl)C=C2)=O,0.0
60272,CO-ADD:0160387,-0.76,O=C(C1=CC=C2OCOC2=C1)N/N=C/C3=CC=C(C4=CC=C(Cl)C=C4)O3,0.0
60273,CO-ADD:0158497,-0.76,N#CC(C(N/N=C/C1=CC(O)=C(O)C=C1)=N2)=C(COC)C=C2C,0.0
60274,CO-ADD:0158394,-0.76,O=C(C)C(C=C1)=CC=C1OCC(O)CNC(C)C.Cl,0.0
60275,CO-ADD:0156554,-0.76,Cl[Pt](P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C4=C5C6=CC=CC=C6C=C4)N[C@H]5C,0.0
60276,CO-ADD:0157977,-0.76,O=C(C1=CC=CC(Br)=C1)N2C(C3=CC=NC=C3)(O)CC(C)=N2,0.0
60277,CO-ADD:0158281,-0.76,O=C(C1=CC=CC(F)=C1)N/N=C/C2=CC=C(C(C=C3)=CC=C3Cl)O2,0.0
60278,CO-ADD:0164787,-0.76,CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl,0.0
60279,CO-ADD:0223067,-0.76,C(=O)(Nc(cc1)ccc1C)C(NCCOC=C)=O,0.0
60280,CO-ADD:0228087,-0.76,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(CNc(ccc(c34)cccc3)c4)=O,0.0
60281,CO-ADD:0228599,-0.76,C(=N/NC(COc1ccccc1)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
60282,CO-ADD:0159971,-0.76,[O-][N+](C(C=C1)=CC=C1C(NN(C2=CC=CC=C2)C(C)=O)=O)=O,0.0
60283,CO-ADD:0160344,-0.76,O=C(C)NC1=CC=C(C=C1)N[C@H](O[C@H](CO)[C@H]2O)[C@@H](O)[C@H]2O,0.0
60284,CO-ADD:0160305,-0.76,O=C1NC(C(Br)=CC(C)=C2)=C2/C1=N/NC(COC3=CC(Br)=CC=C3)=O,0.0
60285,CO-ADD:0160321,-0.76,[O-][N+](C(C=C1)=CC=C1/C=N/NC(CSCC2=CC(C)=C(O)C(C)=C2)=O)=O,0.0
60286,CO-ADD:0222884,-0.76,[N+](=O)([O-])c1ccc(cc1)\C=N\c2c(O)ccc(Cl)c2,0.0
60287,CO-ADD:0158587,-0.76,[O-][N+](C1=CC(OCO2)=C2C=C1/C=N/NC(COC3=C(Br)C=C(C)C=C3Br)=O)=O,0.0
60288,CO-ADD:0235255,-0.76,[N+](=O)([O-])c1c(\C=N\NC(=O)c2ccccc2[N+](=O)[O-])cc(c(OC)c1)OC,0.0
60289,CO-ADD:0231931,-0.77,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c3cccc(C)c3,0.0
60290,CO-ADD:0155447,-0.77,O=C(OCC)CN1CCN(CC(OCC)=O)CC1,0.0
60291,CO-ADD:0163465,-0.77,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(COc2ccc(cc2Cl)Cl)=O,0.0
60292,CO-ADD:0235411,-0.77,c(c1)([N+](=O)[O-])ncn1[C@H]([C@@H](c2ccccc2)C3)C(=O)C=C3c4cccs4,0.0
60293,CO-ADD:0163478,-0.77,C(c1ccccc1)(=O)N\N=C\c(ccc(c2OCC(O)=O)OCC(O)=O)c2,0.0
60294,CO-ADD:0163486,-0.77,c1(Br)ccc(\C=N\NC(COc2ccc(cc2Br)OC)=O)o1,0.0
60295,CO-ADD:0223410,-0.77,C(=O)(NCC1CCCO1)C(NCCc(cc2)ccc2Cl)=O,0.0
60296,CO-ADD:0163923,-0.77,N1(CNc2ccccc2F)C(=S)OC(c3ccccc3OC)=N1,0.0
60297,CO-ADD:0163719,-0.77,C(=O)(Nc1cccc(I)c1)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O,0.0
60298,CO-ADD:0235701,-0.77,C(Cl)(C(=O)OC1C(C(N)=O)C(N)=O)=C1Cl,0.0
60299,CO-ADD:0232178,-0.77,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(ccc(n2)C)c2)OC(c3ccccc3)=O)c1,0.0
60300,CO-ADD:0231925,-0.77,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c2cccc(cccc3)c23,0.0
60301,CO-ADD:0222883,-0.77,[N+](=O)([O-])c1ccc(c(C)c1)\N=C\c(cc2)ccc2[N+](=O)[O-],0.0
60302,CO-ADD:0232120,-0.77,c(\C=N\NC(CNC(=O)c1ccc(cc1)Cl)=O)(cc(Br)cc2Br)c2OC,0.0
60303,CO-ADD:0232116,-0.77,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2cc(Br)ccc2O,0.0
60304,CO-ADD:0163172,-0.77,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)O)c1,0.0
60305,CO-ADD:0163196,-0.77,C(=O)(N\N=C\c1ccc(C)o1)C(=O)Nc2ccccc2F,0.0
60306,CO-ADD:0163826,-0.77,C(COc(ccc(c1C)Br)c1)(=O)N\N=C(/C)\CC(=O)NCc(cc2)ccc2Cl,0.0
60307,CO-ADD:0162165,-0.77,c12c(oc(COC(C)(C)C3)c13)nc(SCC(OCC)=O)nc2SCC(OCC)=O,0.0
60308,CO-ADD:0165014,-0.77,OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1.OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)[O-])c1O,0.0
60309,CO-ADD:0164545,-0.77,CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1.Cl,0.0
60310,CO-ADD:0164669,-0.77,Cn1c(NCCN(CCO)CCCc2ccc(cc2)[N+]([O-])=O)cc(=O)n(C)c1=O.Cl,0.0
60311,CO-ADD:0165011,-0.77,CCc1cc(ccn1)C(N)=S,0.0
60312,CO-ADD:0164918,-0.77,C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0.0
60313,CO-ADD:0164632,-0.77,Oc1ccc(cc1)C2CNCCc3c(Cl)c(O)c(O)cc23.CS(=O)(=O)O,0.0
60314,CO-ADD:0164648,-0.77,CCCc1nc(C)c2c(O)nc(nn12)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1.OC(=O)CC(O)(CC(=O)O)C(=O)O,0.0
60315,CO-ADD:0223068,-0.77,C(=O)(N\N=C\c(cc1OC)cc(c1OC)OC)C(=O)Nc(cc2)ccc2CC,0.0
60316,CO-ADD:0228153,-0.77,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3cccc(OC)c3,0.0
60317,CO-ADD:0228123,-0.77,c1(\C=N\NC(CNc2cccc(cccc3)c23)=O)c(OCC)ccc(cccc4)c14,0.0
60318,CO-ADD:0155575,-0.77,O=C(N(N=C1C)C2=CC=C(C)C=C2)C31C4(C(N(N=C4C)C(C=C5)=CC=C5C)=O)C3C6=CC=CC=C6Cl,0.0
60319,CO-ADD:0155572,-0.77,C#CC1=CC=CC(NC(C2=CC(N(C(C3=CC=CC=C43)=O)C4=O)=CC(C(NC5=CC(C#C)=CC=C5)=O)=C2)=O)=C1,0.0
60320,CO-ADD:0158720,-0.77,[O-][N+](C(N=C1)=NN1CC(C2=CC=CC=C2)=O)=O,0.0
60321,CO-ADD:0158768,-0.77,[O-][N+](C1=CC=C(/C=N/NC(C(C)OC(C=C2)=CC=C2Cl)=O)S1)=O,0.0
60322,CO-ADD:0158773,-0.77,[O-][N+](C1=CSC(/C=N/NC(C(C)OC2=CC=CC=C2Br)=O)=C1)=O,0.0
60323,CO-ADD:0155623,-0.77,FC(F)(F)C1=CC(NC2=NC(N/N=C/C3=CC(OC)=C(O)C=C3)=NC(N4CCOCC4)=N2)=CC=C1,0.0
60324,CO-ADD:0235810,-0.77,C1(C(c2ccccc2)=O)OC1(CBr)c3ccccc3,0.0
60325,CO-ADD:0160399,-0.77,O=C(NC(C=C1)=CC=C1OC2=CC=C(C=C2)C(C)(C)C(C=C3)=CC=C3OC4=CC=C(C=C4)NC(/C(NC(C)=O)=C\C(C=C5)=CC=C5OC(C)=O)=O)/C(NC(C)=O)=C/C(C=C6)=CC=C6OC(C)=O,0.0
60326,CO-ADD:0159935,-0.77,O=C(C1=CC=CC=C1)N/N=C/C2=CC=C(N3CCCCC3)O2,0.0
60327,CO-ADD:0235936,-0.77,C(C#N)(C(c1cccc(F)c1)c(ccc(c23)ccc[n+]2C)c3O4)=C4N.[I-],0.0
60328,CO-ADD:0235788,-0.77,N(=C\c1ccccc1F)/NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
60329,CO-ADD:0223253,-0.77,C(=O)(Oc1ccc(cc1I)\C=N\NC(COc2ccccc2C#N)=O)c3ccco3,0.0
60330,CO-ADD:0222891,-0.77,[N+](=O)([O-])c1ccc(cc1)\C=N\c(cc2)ccc2Br,0.0
60331,CO-ADD:0155556,-0.77,O=C(C1C(C2=C3C=CC=C2)C4=C(C=CC=C4)C3C51)N(C(C=C6)=CC=C6C(OCCC(C)C)=O)C5=O,0.0
60332,CO-ADD:0235677,-0.77,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(COc2ccccc2OC)=O)c1,0.0
60333,CO-ADD:0155380,-0.77,O=C(C(C=C1)=CC=C1NC(CCCCC)=O)NC2=CC=C(C=C2)C(NCCCCCCCC)=O,0.0
60334,CO-ADD:0163340,-0.77,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/C)\c3ccc(cc3)C,0.0
60335,CO-ADD:0163348,-0.77,N(=C(/C)\c1ccc(cc1C)C)/NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
60336,CO-ADD:0235412,-0.77,c(c1)([N+](=O)[O-])ncn1[C@H]2C(=O)C=C(C[C@@H]2c3cccs3)\C=C\c4cccs4,0.0
60337,CO-ADD:0163896,-0.78,C(c1ccccc1)(c2ccccc2)(c3c(cccc3)OC4c5ccc(cc5Cl)Cl)O4,0.0
60338,CO-ADD:0231980,-0.78,N1(CNc2cccc(Br)c2)C(=O)\C(\SC1=S)=C/c3ccccc3Br,0.0
60339,CO-ADD:0232019,-0.78,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c3ccccc3Br,0.0
60340,CO-ADD:0154443,-0.78,O=C(C1=CC=CO1)NNCC2=CC3=C(N2C)C=CC=C3,0.0
60341,CO-ADD:0231864,-0.78,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
60342,CO-ADD:0154493,-0.78,O=C1OC(C2=CC=CC=C2)=NC1=CC3=CC=C(Cl)C=C3,0.0
60343,CO-ADD:0154465,-0.78,O=C(C1=CC2=CC=CC=C2N1)OCC,0.0
60344,CO-ADD:0154450,-0.78,[H]N(C(CC1=C(C=CC=C2)C2=CC=C1)=O)/N=C/C3=CNC4=C3C=CC=C4,0.0
60345,CO-ADD:0163149,-0.78,C(=O)(C(NCCc(cc1)ccc1Cl)=O)Nc2ccccc2F,0.0
60346,CO-ADD:0164945,-0.78,COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24.Br,0.0
60347,CO-ADD:0164775,-0.78,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,0.0
60348,CO-ADD:0164687,-0.78,O=C1N(c2ccccc2C1(Cc1ccncc1)Cc1ccncc1)c1ccccc1.O.Cl,0.0
60349,CO-ADD:0230132,-0.78,C(=O)(N\N=C\c(ccc(c12)cccc1)c2)C(C)Oc3cccc(cccc4)c34,0.0
60350,CO-ADD:0228571,-0.78,C1(C)(O)C(C)(C)OC(NN1)=O,0.0
60351,CO-ADD:0228863,-0.78,N1(c2ccc(cc2)I)C(=O)c3c(cc4c(cccc4)c3)C1=O,0.0
60352,CO-ADD:0160619,-0.78,O=C(NC1=CC=CC(C(F)(F)F)=C1)C2=C(N=CC=C2)N3CCCCC3,0.0
60353,CO-ADD:0160267,-0.78,O=C(NC1=CC=CC=C1)C(C(/N=C/C(C=CC=C2)=C2O)=C3)=CC=C3/N=C/C(C=CC=C4)=C4O,0.0
60354,CO-ADD:0230764,-0.78,N(/c(cc1)ccc1OC)=C\c(cc2)ccc2OCC=C,0.0
60355,CO-ADD:0155958,-0.78,O=C1N(CCN(CC2)C3=C2C=CC=C3)C(C4=C1C=CC=C4)=O,0.0
60356,CO-ADD:0235949,-0.78,N#Cc1ccccc1OCC(=O)N\N=C\c(cc2)ccc2Cl,0.0
60357,CO-ADD:0161151,-0.78,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(COc3c(C)cccc3C)=O)o1,0.0
60358,CO-ADD:0158592,-0.78,O=C(N/N=C/C1=CC=C(N(C)C)C=C1)COC(C(Br)=C2)=C(Br)C=C2C,0.0
60359,CO-ADD:0231916,-0.78,c1(OCC(=O)N\N=C\c(ccc(c2OC(=O)c3ccc(cc3)Br)OC(=O)c4ccc(cc4)Br)c2)c(Br)cc(cc1Br)C,0.0
60360,CO-ADD:0158617,-0.78,O=S(C1=CC(C(NC2=CC=C(C=C2)C(C)=O)=O)=CC=C1C)(N3CCOCC3)=O,0.0
60361,CO-ADD:0158668,-0.78,[O-][N+](C1=CC(/C=N/NC(C2=CC=NC=C2)=O)=C(C=C1)N(CC(C)C)CC(C)C)=O,0.0
60362,CO-ADD:0232525,-0.78,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c3ccccc3I,0.0
60363,CO-ADD:0158684,-0.78,O=C(C1=CC2=CC=C(C3=CC(C(O)=O)=C(O)C=C3)O2)NC(NC1=O)=O,0.0
60364,CO-ADD:0163920,-0.78,C1(C2=O)C(C(C=C3)OC13CNS(=O)(=O)c4ccc(cc4)C)C(N2c5ccccc5)=O,0.0
60365,CO-ADD:0232107,-0.78,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\C(\C)=C\c3ccccc3,0.0
60366,CO-ADD:0163360,-0.78,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
60367,CO-ADD:0232756,-0.78,c1(C(c2ccccc2)=O)oc(c3c1NC(CN(CC)CC)=O)cccc3.Cl,0.0
60368,CO-ADD:0163376,-0.78,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(COc2ccc(cc2Br)OC)=O)Br,0.0
60369,CO-ADD:0163925,-0.78,N1(c2ccc(cc2)C)CC(CC1=O)C(OC)=O,0.0
60370,CO-ADD:0235476,-0.78,c1(c2ccc(OCC(=O)Nc3ccccn3)c1)OC(C=C2C)=O,0.0
60371,CO-ADD:0154356,-0.78,N#CC1=C(NCCC2CCN(CC2)CC3=CC=CC=C3)N=C(NCCC4CCN(CC4)CC5=CC=CC=C5)C(C#N)=C1C6=CC=CC=C6,0.0
60372,CO-ADD:0235313,-0.79,c(CC(NC(=O)OC(C)(C)C)C(=O)Nc(ccc(c1C)C)c1)(c2c([nH]3)cccc2)c3,0.0
60373,CO-ADD:0154306,-0.79,NC1=C2C(CCCC2)=NC3=C1C(C4=C(C=C(C=C4)OC)OC)C5=C(O3)C6=C(C=CC=C6)C=C5,0.0
60374,CO-ADD:0162528,-0.79,S(=O)(=O)(c1ccc(cc1)C)Nc2nc(cccc3)c3nc2Nc(cc4)ccc4OC,0.0
60375,CO-ADD:0235305,-0.79,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3ccccc3C(F)(F)F,0.0
60376,CO-ADD:0162740,-0.79,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc2ccccc2OC,0.0
60377,CO-ADD:0162548,-0.79,C(=O)(Nc(cc1)ccc1OC)c2cccs2,0.0
60378,CO-ADD:0163140,-0.79,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2ccc(cc2O)O,0.0
60379,CO-ADD:0163508,-0.79,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2ccc(cc2O)O,0.0
60380,CO-ADD:0229977,-0.79,C12C(C1C(=O)N\N=C\c3ccccc3O)CCCC2,0.0
60381,CO-ADD:0229968,-0.79,C1(C(=O)OC2CCCCC2)=C(C)NC(=O)NC1c3ccc(cc3)OC,0.0
60382,CO-ADD:0228469,-0.79,c1(c2c([nH]c1)cccc2)C3(c4ccccc4)C=NNC(=O)N3,0.0
60383,CO-ADD:0154836,-0.79,FC(C(F)(F)C(F)(F)C(F)([H])F)(F)C(F)(F)C(F)(F)C(NC1=NC(C=C2C)=C(C=C2)S1)=O,0.0
60384,CO-ADD:0232267,-0.79,c1(c(O)cc(c(Cl)c1C)C)\C=N\c2cccc(Cl)c2Cl,0.0
60385,CO-ADD:0154768,-0.79,ClC1=C(C=CC(F)=C1)C2=NC(C=C3N)=C(C=C3)O2,0.0
60386,CO-ADD:0235171,-0.79,n1c2c(oc1c3ccc(cc3)C)ccc(c2)\N=C\c(cc4)ccc4OCc5ccccc5,0.0
60387,CO-ADD:0230864,-0.79,N(=C\c(cc1)ccc1NC(C)=O)/NC(Cc2ccccc2)=O,0.0
60388,CO-ADD:0158075,-0.79,O=C(/C=C/C(C=C1)=CC=C1Br)OC2=CC=CC=C2/C=N\C3=CC=C(OC)C=C3,0.0
60389,CO-ADD:0156891,-0.79,[O-][N+](C1=CC(C2=CC=C(C=O)O2)=C(Cl)C=C1)=O,0.0
60390,CO-ADD:0157403,-0.79,ClC1=C(C=CC(Cl)=C1)C2=C(/N=C/C(C=C3)=CC=C3Br)N(C=CC=C4)C4=N2,0.0
60391,CO-ADD:0154989,-0.79,N#CC(C(C(F)(F)F)=C1)=C(SCC=C)N=C1C2=CC=CS2,0.0
60392,CO-ADD:0235926,-0.79,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc2)ccc2C(OCC)=O)c3ccc(cc3C)Cl,0.0
60393,CO-ADD:0235014,-0.79,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O,0.0
60394,CO-ADD:0161322,-0.79,c1(C#N)c(C)cc(nc1SCc2ccccn2)C,0.0
60395,CO-ADD:0230800,-0.79,C(N(CC)CC)(=S)Oc(cc1)ccc1C(=O)Nc2ccccc2OC,0.0
60396,CO-ADD:0161483,-0.79,C(=O)(N\N=C\C=C/c1ccccc1)c(cccn2)c2,0.0
60397,CO-ADD:0232168,-0.79,c1(oc(c2n1)ccc(c2)\N=C\c3ccccc3O)c4ccc(cc4Cl)F,0.0
60398,CO-ADD:0155432,-0.79,ClC1=CC=C(C=C1)C2=C(C)SC(NC3=CC=CC=C3)=N2,0.0
60399,CO-ADD:0232418,-0.79,C1(C(OCC)=O)=C(C)NC(NC1c2cccc(OC)c2)=O,0.0
60400,CO-ADD:0155807,-0.79,O=C(N(C1CCCCC1)C2CCCCC2)C(C=CC=C3)=C3C(NC(CC4=CNC5=C4C=CC=C5)C(OC6[C@@](CC7)(C)C([C@@H]7C6)(C)C)=O)=O,0.0
60401,CO-ADD:0230748,-0.79,N(=C\c(cc1)ccc1OCc2ccccc2)/NC(CCC(=O)NC3CCCCC3)=O,0.0
60402,CO-ADD:0155484,-0.79,[O-][N+](C(C=C1)=CC=C1NC(N=C(NC2=CC(C)=C(C)C=C2)N3)=NC3=O)=O,0.0
60403,CO-ADD:0154945,-0.79,N#CC1(C#N)C(N)=C(C2=CCCC[C@@]2([H])[C@@H]1C3=CC(Cl)=C(Cl)C=C3)C#N,0.0
60404,CO-ADD:0163325,-0.79,c1(\C=N\NC(CNC(=O)c2ccco2)=O)c(O)ccc(cccc3)c13,0.0
60405,CO-ADD:0232284,-0.79,C1(C(OC)=O)=C(C)NC(NC1c2ccc(cc2OC)OC)=O,0.0
60406,CO-ADD:0232526,-0.79,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Cl)cc4Br)c4O)cccn2,0.0
60407,CO-ADD:0235230,-0.79,c1(ccc(\C=N\c(cccc2C(C)=O)c2)s1)[N+](=O)[O-],0.0
60408,CO-ADD:0163784,-0.79,N(=C\c1ccccc1OCc(cc2)ccc2Cl)/NC(Cc(cc3)ccc3C)=O,0.0
60409,CO-ADD:0232782,-0.8,n1(c(C)c(nn1)\C(\C)=N\N=C(/CCCC2)\C2)c3nonc3N,0.0
60410,CO-ADD:0162457,-0.8,n1c(C)c(C)cnc1SCCc(cc2)ccn2.Cl,0.0
60411,CO-ADD:0230765,-0.8,S(NCCC(=O)N\N=C\c1cc(OC)ccc1OC)(=O)(=O)c2ccc(cc2)Cl,0.0
60412,CO-ADD:0162511,-0.8,N(c1ccccn1)(C(=O)c(c2c3Cl)c(Cl)c(c3C(N4c5ccccn5)=O)C4=O)C2=O,0.0
60413,CO-ADD:0222873,-0.8,C(=O)(c1ccc(cc1)F)Nc2cccc(OCCCC)c2,0.0
60414,CO-ADD:0163816,-0.8,C(=O)(Oc(cc1)ccc1\C=N\c2cccc(OC)c2)\C=C\c(cc3)ccc3Br,0.0
60415,CO-ADD:0162835,-0.8,C(=O)(N\N=C\C=C\c1ccccc1)c2ccc(cc2)OCCCCCCCCCC,0.0
60416,CO-ADD:0163195,-0.8,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)N\N=C\c(cc4)ccc4Cl,0.0
60417,CO-ADD:0162159,-0.8,C1(C(OC)=O)=C(C)NC(NC1c2ccccc2OC)=O,0.0
60418,CO-ADD:0164553,-0.8,OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1,0.0
60419,CO-ADD:0164543,-0.8,NC(=O)OCC(COC(N)=O)c1ccccc1.O,0.0
60420,CO-ADD:0164967,-0.8,CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1.Cl,0.0
60421,CO-ADD:0165003,-0.8,NC(=O)c1cnccn1,0.0
60422,CO-ADD:0164715,-0.8,OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,0.0
60424,CO-ADD:0164495,-0.8,Oc1[nH]cnc2nncc12,0.0
60425,CO-ADD:0164889,-0.8,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0.0
60426,CO-ADD:0164897,-0.8,CC1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(Cl)C(O)CC2(C)C1(O)C(=O)CO,0.0
60427,CO-ADD:0230034,-0.8,N1(c2ccc(c(Cl)c2)Cl)C(C)(O)CC(N(CC)C1=O)(C)C,0.0
60428,CO-ADD:0158555,-0.8,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=CC=C(I)C=C3)=NC(N4CCCCC4)=N2)=O,0.0
60429,CO-ADD:0155029,-0.8,N#CC([C@H](C1=CC(I)=CC=C1)[C@H]2C(C3=CC=CC=C3)=O)(C#N)[C@]4([H])N2C(C=C5)=C(C6=C5C=CC=C6)C=C4,0.0
60430,CO-ADD:0155317,-0.8,O=C(NC1=CC=C(OC)C=C1)C(C=C2)=CC=C2NC(C(C=C3)=CC=C3NC(CCCCCCC)=O)=O,0.0
60431,CO-ADD:0161523,-0.8,c1(NC(=O)NC2=O)c2c(c(C)s1)C,0.0
60432,CO-ADD:0161288,-0.8,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(CSc3c(cc(c4n3)CCCCCC4)C#N)OC(N)=C1C#N,0.0
60433,CO-ADD:0232361,-0.8,C1(C(=O)Nc(cccc2[N+](=O)[O-])c2)=Cc(cccc3CC=C)c3OC1=O,0.0
60434,CO-ADD:0235467,-0.8,[N+](=O)([O-])c1ccc(cc1)\C=C\C(OCc(cnc2c3ccccc3)o2)=O,0.0
60435,CO-ADD:0161140,-0.8,C(COc1ccccc1CC=C)(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
60436,CO-ADD:0160583,-0.8,[O-][N+](C1=CC(/C=N/NC(C2=CC(C=CC=C3)=C3C=C2O)=O)=CC=C1OC(C4=C(C=CC=C5)C5=CC=C4)=O)=O,0.0
60437,CO-ADD:0161481,-0.8,N1(Cc2ccccc2)C(COC1c3ccc(Br)o3)CC(=O)NCc4ccccc4,0.0
60438,CO-ADD:0154841,-0.8,O=C(COC(C(Br)=C1)=C(Br)C=C1C)N/N=C/C2=CC=C(O2)C3=C(Cl)C=C(Cl)C=C3,0.0
60439,CO-ADD:0232204,-0.8,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)ccc3C)=O,0.0
60440,CO-ADD:0154849,-0.81,CCN(C1=C2C=CC=C1)C(C=C3)=C2C=C3/C=N/C4=CC=CC=C4,0.0
60441,CO-ADD:0154917,-0.81,N#CC1=C(N)SC(N)=C(C#N)C1C2=C(Cl)C=C(Cl)C=C2,0.0
60442,CO-ADD:0162338,-0.81,c1(ccc(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)o1)c3ccc(cc3Cl)Cl,0.0
60443,CO-ADD:0162242,-0.81,c1(N\N=C\c(c(Cl)ccc2[N+](=O)[O-])c2)nncn1N.Cl,0.0
60444,CO-ADD:0162707,-0.81,S(c1ccccc1)(=O)(=O)N(CCC(C)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
60445,CO-ADD:0162232,-0.81,c1(N(CC2)CCO2)nc(N\N=C\c3cccc(OC)c3O)nc(Nc4cccc(Br)c4)n1,0.0
60446,CO-ADD:0154474,-0.81,CNCC1=CC2=CC(OC)=CC=C2N1C.Cl,0.0
60447,CO-ADD:0154522,-0.81,O=C(C1=CN(CC2=CC=CC=C2)C3=CC=CC=C31)OCC,0.0
60448,CO-ADD:0235064,-0.81,N(C(CCl)=O)c1ccc(cc1Cl)NC(CCl)=O,0.0
60449,CO-ADD:0154394,-0.81,[H]N(N(C(CC1=CC=CC2=C1C=CC=C2)=O)[H])CC3=CC4=CC=CC=C4N3C,0.0
60450,CO-ADD:0232286,-0.81,C1(C(OC)=O)=C(C)NC(NC1c2cc(OC)ccc2OC)=O,0.0
60451,CO-ADD:0162644,-0.81,C1(C#N)=C(N)OC(=C2C1c3ccc(C)o3)CCCC2=O.C(=O)O,0.0
60452,CO-ADD:0162162,-0.81,C(C(OCC)=O)(=C(CC)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(cc3)OC,0.0
60453,CO-ADD:0163186,-0.81,C(/c1ccccc1)(=N/O)\C(C)(C)NO.Cl,0.0
60454,CO-ADD:0164877,-0.81,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl,0.0
60455,CO-ADD:0164560,-0.81,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O.O,0.0
60456,CO-ADD:0230195,-0.81,C(=O)(N\N=C\c1ccc(cc1OC)OC)c2ccc(cc2)OCCCCCCCCCC,0.0
60457,CO-ADD:0228481,-0.81,N1(c2cccc(Cl)c2)C(N(O)C(=O)Nc3cccc(Cl)c3)C(N(CCC4=CCCCC4)C1=O)(C)C,0.0
60458,CO-ADD:0158514,-0.81,IC1=CC(Cl)=CC(/C=N/C2=CC(O)=C(C=C2)C3=NC(C=C4)=C(C=C4C)O3)=C1O,0.0
60459,CO-ADD:0223221,-0.81,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(CNc3cccc(C)c3)=O)o1,0.0
60460,CO-ADD:0155487,-0.81,ClC1=CC(/C=N/C2=CC(O)=C(C=C2)C3=NC(C=C4C)=C(C=C4)O3)=CC=C1OC,0.0
60461,CO-ADD:0230149,-0.81,C(C1)(CC(CC12)CC3C2)(C3)\N=C\c(cc4)ccc4OC,0.0
60462,CO-ADD:0158117,-0.81,[O-][N+](C1=CC(/C=N/NC(C(C2=CC=CC=C2)C3=CC=CC=C3)=O)=CC=C1OC)=O,0.0
60463,CO-ADD:0157733,-0.81,[O-][N+](C1=CC(C(N/N=C(C)/CC(NC2=CN=CC=C2)=O)=O)=CC(N)=C1)=O,0.0
60464,CO-ADD:0156885,-0.81,[O-][N+](C1=CC(OCO2)=C2C=C1/C=C/C3=CC(C(F)(F)F)=NC(N3)=O)=O,0.0
60465,CO-ADD:0157662,-0.81,O=C(NC1=CC(C(F)(F)F)=CC=C1)C2=C(N)C(C(C(F)(F)F)=CC(C)=N3)=C3S2,0.0
60466,CO-ADD:0159725,-0.81,N=C1/C(C(N)=NN1)=N/NC2=CC=CC=C2,0.0
60467,CO-ADD:0235445,-0.81,c(c1SC)(c(SC)sn1)C(=O)Nc(ccc(c2C)Br)c2,0.0
60468,CO-ADD:0235207,-0.81,c(c(ccc1)CC2)(c2ccc3\N=C/c(cc4)ccc4OCc5ccccc5)c13,0.0
60469,CO-ADD:0159728,-0.81,O=C(CCCCCCC(N/N=C(C)/C=C/C1=CC=CC=C1)=O)N/N=C(C)/C=C/C2=CC=CC=C2,0.0
60470,CO-ADD:0223349,-0.81,c1(SCC(=O)N\N=C\c2c(O)ccc(cccc3)c23)sc(c4n1)cccc4,0.0
60471,CO-ADD:0154925,-0.81,N#CC1=C(N)SC(N)=C(C#N)C1C(C=CC=C2)=C2I,0.0
60472,CO-ADD:0232433,-0.81,[N+](=O)([O-])c(ccc(c1\C=N\NC(CSCC(c2ccccc2)=O)=O)N(CC(C)C)CC(C)C)c1,0.0
60473,CO-ADD:0232348,-0.81,C1(C(=O)Nc(cc2)ccc2I)=Cc(cccc3CC=C)c3OC1=O,0.0
60474,CO-ADD:0235676,-0.81,C1(C(N)=O)=CC=C(NC1=O)Nc(cc2)ccc2OC,0.0
60475,CO-ADD:0235602,-0.81,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)Nc3sc(c4c3C#N)CCCC4,0.0
60476,CO-ADD:0162676,-0.81,c(C#N)(c1c2cccs2)c(SCc(ccc(c3Cl)Cl)c3)nc(N)c1C#N,0.0
60477,CO-ADD:0232758,-0.82,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2OC)\C(N1c3ccccc3)=O,0.0
60478,CO-ADD:0162584,-0.82,C(COc1cccc(Br)c1)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
60479,CO-ADD:0232293,-0.82,N1C(=O)\C(\SC1=S)=C\c2cccc(OC)c2OC,0.0
60480,CO-ADD:0162601,-0.82,C(C(OCC)=O)(=C(CSc1nc(CC)c(cc1C#N)C)OC(=C2C#N)N)C2c3ccccc3Cl,0.0
60481,CO-ADD:0162313,-0.82,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(=O)c3ccccc3Cl)o1,0.0
60482,CO-ADD:0154433,-0.82,O=C(N/N=CC1=CC(OC)=C(O)C=C1)CC2=CNC3=C2C=CC=C3,0.0
60483,CO-ADD:0162966,-0.82,c1(ccc(\C=N\NC(COc2cccc(C)c2)=O)o1)Sc3ccc(\C=N\NC(COc4cccc(C)c4)=O)o3,0.0
60484,CO-ADD:0231969,-0.82,N1(CNc2cccc(F)c2)C(=O)\C(\SC1=S)=C/c(cc3)ccc3C(C)C,0.0
60485,CO-ADD:0154429,-0.82,[H]N(C(COC1=CC=C(C=CC=C2)C2=C1)=O)/N=C/C3=CNC4=C3C=CC=C4,0.0
60486,CO-ADD:0163838,-0.82,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(ccc(c2OCC)OCCC)c2,0.0
60487,CO-ADD:0163854,-0.82,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NCC(=O)NCC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2,0.0
60488,CO-ADD:0162158,-0.82,C1(C(OC)=O)=C(C)NC(=O)NC1c(cc2)ccc2N(C)C,0.0
60489,CO-ADD:0228201,-0.82,S(=O)(=O)(Nc(cc1)ccc1Oc2ccccc2)c(cccc3[N+](=O)[O-])c3,0.0
60490,CO-ADD:0230098,-0.82,c1(c(cccc1Cl)Cl)\C=N\c(cc2)ccc2\N=C\c3c(cccc3Cl)Cl,0.0
60491,CO-ADD:0228366,-0.82,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c4cccc(Cl)c4,0.0
60492,CO-ADD:0230067,-0.82,c1(c(C)cccc1C)NC(=O)CC(C)=O,0.0
60493,CO-ADD:0158635,-0.82,O=C(C1=C2C=CC=C1[N+]([O-])=O)N(C3=CC(C(OCC(C)C)=O)=CC=C3)C2=O,0.0
60494,CO-ADD:0230096,-0.82,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/CCc2ccccc2)\C(C)(C)O)[N+](=O)[O-],0.0
60495,CO-ADD:0228203,-0.82,S(=O)(=O)(N(CCO)CCO)c1c(Cl)ccc(c1)C(=O)Nc2ccccc2,0.0
60496,CO-ADD:0155541,-0.82,O=C(C1C(C2=CC=CC=C2[N+]([O-])=O)C3C(N(C(C=C4C)=CC=C4C)N=C3C)=O)N(N=C1C)C(C=C5C)=CC=C5C,0.0
60497,CO-ADD:0157416,-0.82,COC1=CC=C(C=C1)C2=NC3=C(C(C=CC=C4)=C4C=C3)C5=C2CCC5,0.0
60498,CO-ADD:0158057,-0.82,O=C(C1=CC=CC(F)=C1)NC2=NC(C(F)(F)F)=C(C3=CC=CC=C3)S2,0.0
60499,CO-ADD:0158073,-0.82,O=C(N/N=C(C)\CC(NC1=CC=C(C=C1)C(C)C)=O)C2=CC(OC)=CC(OC)=C2,0.0
60500,CO-ADD:0158113,-0.82,O=C(N/N=C(C)/C(C(OC)=C1)=CC=C1OC)C2OC(C=CC=C3)=C3OC2,0.0
60501,CO-ADD:0160016,-0.82,O=C(O1)N(CNC2=CC(C)=CC=C2)C3=C1C=C(Cl)C=C3,0.0
60502,CO-ADD:0159760,-0.82,O=C([C@@](C[N@@](C1)C2)(CCC)C[N@]1C3)[C@]32CCC,0.0
60503,CO-ADD:0160554,-0.82,C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C#CCN3CCCCC3.Cl,0.0
60504,CO-ADD:0160378,-0.82,BrC1=CC=CC(NC2=NC(N/N=C/C3=C4C=CC=CC4=CC5=CC=CC=C35)=NC(N6CCOCC6)=N2)=C1,0.0
60505,CO-ADD:0160578,-0.82,O=C(NCCCCCCCCCCCCCCCC)C(C=C1)=CC=C1OC2=CC=C(C=C2)C(NCCCCCCCCCCCCCCCC)=O,0.0
60506,CO-ADD:0159970,-0.82,O=C(C1=CC=CC=C1)OC(C=C2)=C(C3CCCCC3)C=C2OC(C4=CC=CC=C4)=O,0.0
60507,CO-ADD:0156240,-0.82,O=C(C1=C2C=CC=C1)N(C3=CC(N)=CC=C3C)C2=O,0.0
60508,CO-ADD:0155778,-0.82,O=C(NCCCN1CCCC1)C(C=CC=C2)=C2I,0.0
60509,CO-ADD:0156258,-0.82,ClC(C(Cl)=CC=C1)=C1/N=C/C2=C(O)C(OC)=CC=C2,0.0
60510,CO-ADD:0156272,-0.82,O=C(CC1=C(C=CC=C2)C2=CC=C1)N/N=C/C3=C(OC)C=CC(Br)=C3,0.0
60511,CO-ADD:0158411,-0.82,O=C(C1=CC=C(Cl)C=C1)NC2=CC=CC(C(N/N=C/C(C(Cl)=CC=C3)=C3Cl)=O)=C2,0.0
60512,CO-ADD:0154984,-0.82,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C3=C(Br)C(OCO4)=C4C=C3,0.0
60513,CO-ADD:0162217,-0.82,c1(N2CCCC2)nc(N\N=C\c(cccc3[N+](=O)[O-])c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
60514,CO-ADD:0235113,-0.82,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(c(Cl)ccc2[N+](=O)[O-])c2,0.0
60515,CO-ADD:0162938,-0.82,c1(Cl)cc(Cl)ccc1\C=N\NC(CCCCC(NC)=O)=O,0.0
60516,CO-ADD:0161757,-0.82,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(CCCCCNC(=O)c3ccc(c(OC)c3)OC)=O,0.0
60517,CO-ADD:0163006,-0.82,c1(c(O)c(\C=N\NC(=O)c(cccn2)c2)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
60518,CO-ADD:0161202,-0.83,C1(SCC(=O)N1c2ccc(cc2)Br)c3ccc(cc3Cl)Cl,0.0
60519,CO-ADD:0161813,-0.83,c(Nc(cc1)ccc1OC)(nc(N\N=C\c(cc2)ccc2F)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
60520,CO-ADD:0162404,-0.83,C(F)(F)(C(F)(F)C(=O)Nc(cc(Br)cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)F,0.0
60521,CO-ADD:0163202,-0.83,[N+](=O)([O-])c(cccc1C(=O)Nc(ccc(c2NC(=O)c(cccc3[N+](=O)[O-])c3)OC(F)(F)C([H])(F)F)c2)c1,0.0
60522,CO-ADD:0163819,-0.83,C(N(CC=C)CC=C)(=S)Oc(cccc1C(=O)Nc2ccccc2)c1,0.0
60523,CO-ADD:0163835,-0.83,N(=C(/CCC)\c1ccc(cc1)C)/NC(=O)Cc2cccc(cccc3)c23,0.0
60524,CO-ADD:0161935,-0.83,c1(c(O)c(\C=N\c(ccc(c23)oc(c4ccc(cc4)I)n2)c3)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
60526,CO-ADD:0164890,-0.83,CN\C(NCCSCc1csc(CN(C)C)n1)=C/[N+]([O-])=O,0.0
60527,CO-ADD:0164906,-0.83,OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1,0.0
60528,CO-ADD:0235030,-0.83,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c2ccccc2C,0.0
60529,CO-ADD:0230350,-0.83,C(=O)(OC(C1CCN2CC1)C2)Nc3c(C)ccc(c3)NC(=O)OC(C4CCN5CC4)C5,0.0
60530,CO-ADD:0223787,-0.83,C(=O)(Nc1ccccc1C)c2ccccc2OC,0.0
60531,CO-ADD:0223753,-0.83,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c2cccc(Cl)c2,0.0
60532,CO-ADD:0155373,-0.83,N#CC([C@]1([H])C2=CC(I)=CC=C2)=C(N[C@](C3=CC=CC=C3)(O)[C@]1([H])[N+]4=C(C=CC=C5)C5=CC=C4)[O-],0.0
60533,CO-ADD:0228181,-0.83,S1(=O)(=O)c2c(C(N(CC)CC)=N1)ccc(c2)[N+](=O)[O-],0.0
60534,CO-ADD:0155397,-0.83,COC1=CC2=C(C=C1)NC3=C2CCNC3,0.0
60535,CO-ADD:0155405,-0.83,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1C(NC2=CC=C(C=C2)C(N)=O)=O)=O,0.0
60536,CO-ADD:0155474,-0.83,[O-][N+](C1=CC(N/C=C2C(N(C(C=C3C)=CC=C3C)N=C/2C)=O)=CC=C1)=O,0.0
60537,CO-ADD:0230023,-0.83,n1(nc(c2c([nH]3)cccc2)c3n4)c4nnn1,0.0
60538,CO-ADD:0155341,-0.83,O=C(NC1=CC=CC=C1)C(NCCC2=C(C=CC=C2)Cl)=O,0.0
60539,CO-ADD:0155030,-0.83,N#CC([C@]1([H])C2=CSC=C2)=C(N[C@](C3=CC=CC=C3)(O)[C@]1([H])[N+]4=C(C=CC(Cl)=C5)C5=CC=C4)[S-],0.0
60540,CO-ADD:0157382,-0.83,O=C(N/N=C/C=C(O)/C1=CC=C(C)C=C1)C2=CC=C(C)C=C2,0.0
60541,CO-ADD:0160469,-0.83,O=C(C1=CC=C(Cl)C=C1)NCCCCNC(C(C=C2)=CC=C2Cl)=O,0.0
60542,CO-ADD:0160318,-0.83,[O-][N+](C(C=C1[N+]([O-])=O)=C(C=C1)SC2=CC3=CC=CC=C3C=C2)=O,0.0
60543,CO-ADD:0160374,-0.83,FC(C(F)(F)C(F)(F)C(F)([H])F)(F)C(F)(F)C(F)(F)C(NC(CCCCNC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)([H])F)=O)C([O-])=O)=O.[Na+],0.0
60544,CO-ADD:0156030,-0.83,ClC1=CC=C(C=C1)C2=C(C3=CC=CC=C3)SC(NC4=C(C)C=CC(C)=C4)=N2,0.0
60545,CO-ADD:0161307,-0.83,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccccc2C(F)(F)F,0.0
60546,CO-ADD:0161068,-0.83,C1(C(=O)N\N=C(/C(C)C)\c2ccccc2)CC1c3ccccc3,0.0
60547,CO-ADD:0156232,-0.83,O=C(CC1SCC(NC2=CC=C(Cl)C=C2)=O)N(C(C(C)=C3)=CC=C3C)C1=O,0.0
60548,CO-ADD:0156136,-0.83,O=C(CSC(C=CC=C1)=C1C)N/N=C/C(C(Cl)=C2)=CC=C2Cl,0.0
60549,CO-ADD:0156040,-0.83,[O-][N+](C1=CC=CC=C1/C=C/C=N/C2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)=O,0.0
60550,CO-ADD:0235737,-0.83,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-])C1=O,0.0
60551,CO-ADD:0232634,-0.83,c1(cc(ccc1Cl)SC)C(=O)O\N=C(\CC2)/c3c(C2)cc(c(C)c3)OC,0.0
60552,CO-ADD:0232687,-0.83,N1(c2ccccc2)C(=O)C(CC1=O)S\C(\NCC)=N/CC,0.0
60553,CO-ADD:0235756,-0.83,C(=S)(NC(C)(C)CC1(C)c2ccc(cc2OS(=O)(=O)c3ccc(cc3)C)OS(=O)(=O)c4ccc(cc4)C)N1c5ccccc5,0.0
60554,CO-ADD:0235747,-0.83,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
60555,CO-ADD:0232403,-0.83,c1(ccc(C)s1)C(c2ccc(cc2)Br)c3ccc(C)s3,0.0
60556,CO-ADD:0162840,-0.83,C(COc(cc1)ccc1C(C)C)(=O)N\N=C\c2ccccc2OC(C)=O,0.0
60557,CO-ADD:0162770,-0.83,C(COc1cccc(C)c1)(=O)N\N=C\c2cccc(OC)c2OC,0.0
60558,CO-ADD:0162087,-0.84,c1(nc(cccc2)c2c3NC(=O)CN(CC4)CCN4C(=O)c5ccco5)c3CCN1Cc6ccccc6,0.0
60559,CO-ADD:0162383,-0.84,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccc(cc3)Br)OC,0.0
60560,CO-ADD:0162431,-0.84,c1(CC(=O)Nc(cc2)ccc2OC)c(SC)c3c(cccc3)n1C,0.0
60561,CO-ADD:0161889,-0.84,C(COc(cc1)ccc1Cl)(=O)N\N=C\c(ccc(c23)cccc2)c3,0.0
60562,CO-ADD:0161663,-0.84,C(CNc(cc1)ccc1C)(=O)N\N=C\c2cccc(OC)c2,0.0
60563,CO-ADD:0161967,-0.84,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c(cc2)ccc2F,0.0
60564,CO-ADD:0161834,-0.84,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(c(OC)ccc2[N+](=O)[O-])c2)nc3Nc(cc4)ccc4OC)n3,0.0
60565,CO-ADD:0158622,-0.84,O=C(C1=C2C=CC(Br)=C1)N(C3=CC(C(NC(C=CC=C4)=C4C)=O)=CC=C3)C2=O,0.0
60566,CO-ADD:0228296,-0.84,N1(c2ccccc2OC)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
60567,CO-ADD:0155514,-0.84,O=C(C(C=C1)=CC=C1OC)OC(C=C2)=CC=C2/C=N/C3=C(C(OCC)=O)C(CCCC4)=C4S3,0.0
60568,CO-ADD:0155538,-0.84,O=C(/C1=C/NC2=C(C)C=CC(N/C=C3C(N(C4=CC=CC=C4)N=C\3C)=O)=C2)N(N=C1C)C5=CC=CC=C5,0.0
60569,CO-ADD:0230449,-0.84,C12(Cl)C(Cl)(Cl)C(C(C(N3c4ccccc4OC)=O)C1C3=O)(C(Cl)=C2Cl)Cl,0.0
60570,CO-ADD:0157414,-0.84,O=C(C1=CC=CC=C1)N/N=C/C2=CC=C3C=CC=CC3=C2,0.0
60571,CO-ADD:0155663,-0.84,IC1=CC(I)=CC(/C=N/C2=CC(O)=C(C=C2)C3=NC(C=CC=C4)=C4S3)=C1O,0.0
60572,CO-ADD:0155703,-0.84,O=C(O)C(C=C1)=CC=C1/C=N/C2=CC=C(C=C2)N3CCOCC3,0.0
60573,CO-ADD:0155199,-0.84,BrC(C=C1)=CC=C1/C=N/NC2=NC(NC3=CC(C)=CC=C3C)=NC(N4CCOCC4)=N2,0.0
60574,CO-ADD:0223357,-0.84,c1(SCC(=O)N\N=C\c(cc2)ccc2Br)sc(c3n1)cccc3,0.0
60575,CO-ADD:0223363,-0.84,c1(SCC(=O)N\N=C\c(cc2)ccc2OC)sc(c3n1)cccc3,0.0
60576,CO-ADD:0160660,-0.84,O=C(C1=CC=CC=C1)N/N=C/C2=CC=C(SCC(NC3=CC=CC=C3)=O)O2,0.0
60577,CO-ADD:0161612,-0.84,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c2cccc(cccc3)c23,0.0
60578,CO-ADD:0232373,-0.84,C1(Sc2ccc(\C=N\NC(=O)c3cccc(Br)c3)o2)=Nc(cccc4)c4C(=O)N1c5ccccc5,0.0
60579,CO-ADD:0161474,-0.84,C1(O)(c2ccccc2)CCN(CC1CC)C,0.0
60580,CO-ADD:0155160,-0.84,BrC1=CC(Br)=CC(/C=N/C2=CC(N=C(C3=CC=C(Br)C=C3)O4)=C4C=C2)=C1O,0.0
60581,CO-ADD:0235606,-0.84,c1(Nc2ccccc2)nc(N\N=C\c(cc3)ccc3N(CC)CC)nc(NC)n1,0.0
60582,CO-ADD:0158511,-0.84,IC1=CC(Cl)=CC(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=C(C)C=C4)=C1O,0.0
60583,CO-ADD:0155119,-0.84,N#CC1=C(N)OC(CCC2)=C(C2=O)C1C3=CC([N+]([O-])=O)=CS3,0.0
60584,CO-ADD:0235946,-0.84,c1(OCC(=O)N\N=C\c(ccc(c2OC)O)c2)c(Br)cc(cc1Br)Br,0.0
60585,CO-ADD:0155891,-0.84,N#CC1=C(N)OC(NN=C2C)=C2C1C3=CC=CC=C3C(F)(F)F,0.0
60586,CO-ADD:0162654,-0.84,c(C#N)(cc(C(C)=O)c(n1)C)c1SCC(=O)OC(C)(C)C,0.0
60587,CO-ADD:0235436,-0.85,n1(\N=C\C=C\c2ccccc2)c3c(c(cccc4)c14)cccc3,0.0
60588,CO-ADD:0232007,-0.85,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
60589,CO-ADD:0162348,-0.85,C(=O)(c1cccc(C)c1)Nc(cccc2C(=O)Nc(cc3)ccc3C)c2,0.0
60590,CO-ADD:0232791,-0.85,n1(c(C)c(nn1)\C(\C)=N\N=C\c(cc2)ccc2OCCCC)c3nonc3N,0.0
60591,CO-ADD:0162557,-0.85,C1(C)(CCC2C3CCc(cc(O)cc4)c24)C3CCC15OCCO5,0.0
60592,CO-ADD:0162151,-0.85,c(cc(cccc1)c1c2\C=N\c(ccc(c34)cccc3)c4)(c2O)C(=O)Nc5ccccc5C,0.0
60593,CO-ADD:0162416,-0.85,C(=O)(c1ccc(cc1)NC(C(CCCC)CC)=O)N(CC)c2ccccc2,0.0
60594,CO-ADD:0162152,-0.85,C1(c2ccccc2)(c(cc(Cl)cc3)c3N4C(=O)C(F)(F)F)C4(c5ccccc5)c(c6N1C(=O)C(F)(F)F)cc(cc6)Cl,0.0
60595,CO-ADD:0162125,-0.85,C(CSCc1ccccc1)(=O)N\N=C/c(cc2)ccc2OCc(cc3)ccc3C,0.0
60596,CO-ADD:0161898,-0.85,c1(cc(ccc1N(C)C)\C=N\NC(COc2cccc(C)c2)=O)[N+](=O)[O-],0.0
60597,CO-ADD:0164751,-0.85,CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O,0.0
60598,CO-ADD:0164847,-0.85,C[C@@H]1CC2=C(CCC(=O)C2)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)[C@H]12,0.0
60599,CO-ADD:0164514,-0.85,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl,0.0
60600,CO-ADD:0164789,-0.85,NC1CCN(CC1)c1cccc(Cl)n1.Cl,0.0
60602,CO-ADD:0223722,-0.85,c1(ccc(cc1OC)OC)C(=O)N\N=C\c2ccccc2O,0.0
60603,CO-ADD:0235172,-0.85,n1c2c(oc1c3ccc(cc3)C)ccc(c2)\N=C\c4ccc(cc4Cl)Cl,0.0
60604,CO-ADD:0230482,-0.85,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c2ccccc2OC(=O)\C=C\c3ccccc3,0.0
60605,CO-ADD:0158686,-0.85,O=C(COC1=C(C)C=CC=C1C)N/N=C/C2=CC(OC)=C(O)C(I)=C2,0.0
60606,CO-ADD:0228860,-0.85,c(\C=N\NC(COc(cc1)ccc1C(C)(C)CC(C)(C)C)=O)(cc(I)cc2I)c2OC,0.0
60607,CO-ADD:0155554,-0.85,N#CC1(C#N)C(N)=C(C(C(C2)C1C3=CC=C(OC)C=C3)=CCC2C(OC)=O)C#N,0.0
60608,CO-ADD:0158596,-0.85,O=S(N1CCOCC1)(C2=CC=C(C(C(NC(C=C3)=CC=C3OC4=CC=CC=C4)=O)=C2)Cl)=O,0.0
60609,CO-ADD:0223610,-0.85,C(=O)(Nc(ccc(c1Cl)Cl)c1)Nc2cccc(C)n2,0.0
60610,CO-ADD:0156052,-0.85,O=C1OC(C2=C(F)C(F)=C(F)C(F)=C2F)=N/C1=C/C(C=C3)=CC=C3/C=C4N=C(OC/4=O)C(C(F)=C5F)=C(F)C(F)=C5F,0.0
60611,CO-ADD:0155311,-0.85,S=C(OC1=CC(C(NC2=C(C=CC=C3)C3=CC=C2)=O)=CC=C1)N(CC(C)C)CC(C)C,0.0
60612,CO-ADD:0155720,-0.85,O=C(C(Cl)C(C)(C)C1)C(C(/C=C/C2=CC=CC=C2)=O)C1=O,0.0
60613,CO-ADD:0155248,-0.85,O=C(O)C1C(C2C3C2)C1C3=C(C)C,0.0
60614,CO-ADD:0155352,-0.85,O=C(C1=CC(C)=CC=C1)NC2=CC=C(C=C2)C(NC3=CC=C(O)C=C3)=O,0.0
60615,CO-ADD:0155697,-0.85,O=C(O)C1=C(O)C(C(C)CC)=CC(CC2=CC(C(C)CC)=C(O)C(C(O)=O)=C2)=C1,0.0
60616,CO-ADD:0161309,-0.85,C(C#N)(=C(N)SC(=C1C#N)N)C1c2ccccc2C.[Na+],0.0
60617,CO-ADD:0159966,-0.85,[O-][N+](C(C=C1)=CC=C1NC2=NC(N3CCOCC3)=NC(N/N=C(C)/C4=CC=C(C=C4)[N+]([O-])=O)=N2)=O,0.0
60618,CO-ADD:0232647,-0.85,C(/C1=O)(=C\c2c(O)ccc(cccc3)c23)\N=C(O1)C,0.0
60619,CO-ADD:0223426,-0.85,C(CCC(OCC1CCCCC1)=O)(=O)N(CCC)CCC,0.0
60620,CO-ADD:0160531,-0.85,O=C(N/N=C/C1=CC(Br)=CC(Br)=C1OC(C2=CC(OC)=C(C(OC)=C2)OC)=O)/C(NC(C3=CC=CC=C3)=O)=C/C4=CC(OCO5)=C5C=C4,0.0
60621,CO-ADD:0235137,-0.85,C(=O)(Oc1ccc(cc1\C=N\NC(COc2ccccc2C#N)=O)Br)c3ccccc3Cl,0.0
60622,CO-ADD:0156327,-0.85,[O-][N+](C(C=C(OCO1)C1=C2)=C2/C=N/C3=CC=C4NC(NC4=C3)=O)=O,0.0
60623,CO-ADD:0235641,-0.85,C1(c2ccccc2)(NCc3ccco3)C(=O)c4c(cccc4)C1=O,0.0
60624,CO-ADD:0232420,-0.85,C1(\N=C\c2ccccn2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
60625,CO-ADD:0232075,-0.85,C(=O)(Oc1cccc(c1)\C=N\NC(COc(cc2)ccc2C)=O)c3cccc(F)c3,0.0
60626,CO-ADD:0162709,-0.85,c1(cc(c(cc1[N+](=O)[O-])nc(c2Nc(cccc3C(F)(F)F)c3)Nc(cccc4C(F)(F)F)c4)n2)[N+](=O)[O-],0.0
60627,CO-ADD:0162733,-0.85,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(cc3Cl)Cl,0.0
60628,CO-ADD:0232061,-0.85,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3cc(OCC)ccc3O,0.0
60629,CO-ADD:0162294,-0.85,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2Br)\C=N\NC(=O)c(cccn3)c3,0.0
60630,CO-ADD:0162578,-0.85,N1(c2c(Cl)ccc(C(=O)c(cc3)ccc3N4C(=O)c(c5C4=O)ccc(C(=O)c(cc6)ccc6C(O)=O)c5)c2)C(=O)c(c7C1=O)ccc(C(=O)c(cc8)ccc8C(O)=O)c7,0.0
60631,CO-ADD:0162781,-0.85,C(c1ccccc1)(=O)N\N=C(/CC\C(\C2)=N/NC(c3ccccc3)=O)\C2,0.0
60632,CO-ADD:0162884,-0.86,C(=O)(Nc1ccccc1C(=O)N\N=C\c2ccccc2Cl)c3ccccc3Br,0.0
60633,CO-ADD:0161642,-0.86,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
60634,CO-ADD:0161938,-0.86,c1(ccccc1C(NCCCCCCCCCCCCCCCCCC)=O)C(c2ccccc2)=O,0.0
60635,CO-ADD:0162854,-0.86,c1(cc(OC)ccc1NC(=O)C\C(\C)=N\NC(CCCC)=O)[N+](=O)[O-],0.0
60636,CO-ADD:0230475,-0.86,C(F)(F)(F)c1cccc(c1)NC(=O)C\C(\C)=N\NC(COc(cc(C)c(c2)Br)c2Br)=O,0.0
60637,CO-ADD:0230568,-0.86,C(CSc1ccccc1)(=O)N\N=C\c(cc2)ccc2N(C)c3ccccc3,0.0
60638,CO-ADD:0230273,-0.86,c(cc(C(C(Cl)(Cl)Cl)c(c1)cc(c(OC)c1[N+](=O)[O-])[N+](=O)[O-])cc2[N+](=O)[O-])(c2OC)[N+](=O)[O-],0.0
60639,CO-ADD:0154915,-0.86,N#CC1=C(C(F)(F)F)C=C(C2=CC=CS2)NC1=S,0.0
60640,CO-ADD:0154814,-0.86,O=C(NC1=CC=C(Br)C=C1)NC(C=CC=C2)=C2OC(C)C,0.0
60641,CO-ADD:0155519,-0.86,O=S(C1=CC(C=CC=C2)=C2C=C1)(NCC3=CC=CO3)=O,0.0
60642,CO-ADD:0155383,-0.86,O=C(C(C=C1)=CC=C1NC(C2=CC=CC(NC(C3=CC=CC(C)=C3)=O)=C2)=O)N(C4=CC=CC=C4)C5=CC=CC=C5,0.0
60643,CO-ADD:0155321,-0.86,O=C(C1=CC=CS1)NC2=C3N=CC=CC3=CC=C2,0.0
60644,CO-ADD:0154995,-0.86,O=C(C(C(C)=C1)=CC=C1C)C2=C(N)C(C(C(F)(F)F)=CC(C3=CC=CC=C3)=N4)=C4S2,0.0
60645,CO-ADD:0155003,-0.86,N#CC1=C(SCC(C2=CC=C(Cl)C=C2)=O)N=C(C)C=C1COC,0.0
60646,CO-ADD:0155283,-0.86,NC1=CC(N=C(C2=CC3=CC=CC=C3C=C2)O4)=C4C=C1,0.0
60647,CO-ADD:0155020,-0.86,N#CC1=C([S-])NC(C2CC2)(O)C([N+]3=CC=C(C)C=C3)C1C(C=C4)=CC=C4Br,0.0
60648,CO-ADD:0235765,-0.86,C1(=S)NC(C)(C)C=C(C)N1c2ccccc2O,0.0
60649,CO-ADD:0160189,-0.86,O=C(N/N=C/C1=CC=C(Cl)C=C1)CN2N=NC3=C2C=CC=C3,0.0
60650,CO-ADD:0160637,-0.86,O=C1C(CCC1)C(C(C=C2)=CC=C2F)NC(C=C3)=CC=C3C,0.0
60651,CO-ADD:0232350,-0.86,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
60652,CO-ADD:0155865,-0.86,O=C(C(C=CC=C1)=C1C)N(C2=CC=C(OCC)C=C2)C3=NC(C(C=C4)=CC=C4OC)=C(C5=CC=CC=C5)S3,0.0
60653,CO-ADD:0235462,-0.86,c1(NC(COC(=O)C(CCSC)NC(c2ccccc2)=O)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
60654,CO-ADD:0235721,-0.86,C(=O)(c1ccc(cc1)Cl)NC(C)(C)CO,0.0
60655,CO-ADD:0154889,-0.86,O=C(N1CCCCC1)/C=C/C2=C(OC)C3=C(C(OC)=C2O)OC=C3,0.0
60656,CO-ADD:0155889,-0.86,CC(C=C1)=CC=C1S(=O)(N/N=C2C[C@@H]([C@@H]3O[C@H]/2OC3)N(C(C4=C5C=CC=C4)=O)C5=O)=O,0.0
60657,CO-ADD:0162698,-0.86,N(=C\c1ccccc1O)/N(c2ccccc2)Cc3ccccc3,0.0
60658,CO-ADD:0162730,-0.86,C(C#N)(C1c2ccc(cc2)OC)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
60659,CO-ADD:0232295,-0.86,s1c(N)nnc1c(cc2)ccc2[N+](=O)[O-],0.0
60660,CO-ADD:0231997,-0.86,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cc4)ccc4Cl,0.0
60661,CO-ADD:0162238,-0.86,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3F)nc(Nc4cccc(Br)c4)n1,0.0
60662,CO-ADD:0162647,-0.86,c(C#N)(cc(C(C)=O)c(n1)C)c1SCC(=O)c2ccc(cc2)Cl,0.0
60663,CO-ADD:0162870,-0.86,N(C(CCC(=O)N\N=C\c(cc1)ccc1Cl)=O)c2ccc(cc2C)I,0.0
60664,CO-ADD:0162782,-0.86,C(=O)(\C=C\c(cc1)ccc1Br)Oc2ccccc2C=O,0.0
60666,CO-ADD:0164437,-0.87,Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1,0.0
60667,CO-ADD:0156073,-0.87,[O-][N+](C1=CC(/C=N/C2=CC=C(C=C2)C3=NC(C=CC=C4)=C4N3)=C(O)C=C1)=O,0.0
60668,CO-ADD:0156481,-0.87,[O-]C1=N[N+](C(C=C2)=CC=C2Br)=NO1,0.0
60669,CO-ADD:0156105,-0.87,OC(N(C1=CC=CC=C1)N=C2C)=C2/C=N/NC(C3=CC=CN=C3)=O,0.0
60670,CO-ADD:0156121,-0.87,[O-][N+](C1=CC=C(/C=N/NC(COC2=C(C=CC=C2)[N+]([O-])=O)=O)O1)=O,0.0
60671,CO-ADD:0228151,-0.87,c1(\C=N\NC(CNc2cccc(Br)c2)=O)cc(OC)ccc1O,0.0
60672,CO-ADD:0228491,-0.87,c(\C=N\NC(COc1ccc(cc1I)OC)=O)(c2c([nH]3)cccc2)c3,0.0
60673,CO-ADD:0230799,-0.87,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2ccccc2\C=N/Nc(cc3)ccc3[N+](=O)[O-])c1,0.0
60674,CO-ADD:0155708,-0.87,N#C/C(C1=NC(C=CC=C2)=C2S1)=C\C(C=CC=C3)=C3O,0.0
60675,CO-ADD:0230786,-0.87,S(NCCC(=O)N\N=C\c1ccccc1)(=O)(=O)c(cc2)ccc2[N+](=O)[O-],0.0
60676,CO-ADD:0235615,-0.87,c12c(c(cc(OC(NCCCC)=O)c1Cl)Cl)OC(=O)S2,0.0
60677,CO-ADD:0155052,-0.87,NC1=NON=C1N(N=N2)C(COC(C)=O)=C2COC(C)=O,0.0
60678,CO-ADD:0232716,-0.87,O(Cc1ccccc1)c2ccccc2OCc3ccccc3,0.0
60679,CO-ADD:0160246,-0.87,[O-][N+](C1=C(SCC(N)=O)NC(C)=N1)=O,0.0
60680,CO-ADD:0232384,-0.87,c1(cc(C)c(cc1NC2OCC(C(O)C2O)O)C)[N+](=O)[O-],0.0
60681,CO-ADD:0160119,-0.87,O=C1C(O)=C(C(C2=CC=CC=C2)=O)C(C3=CC=C(C=C3)[N+]([O-])=O)N1C4=CC=C(C(C(O)=O)=C4)O,0.0
60682,CO-ADD:0161102,-0.87,C(=O)(N\N=C\c(cc1)cc(c1OC(C)=O)OC)c(cccn2)c2,0.0
60683,CO-ADD:0223345,-0.87,C(/C#N)(=C/c1ccc(cc1OC)OC)\C(=O)Nc(ccc(c2C)C)c2,0.0
60684,CO-ADD:0232520,-0.87,c1(oc(c2n1)ccc(c2)\N=C\c(c(O)ccc3C(O)=O)c3)c4cc(Cl)ccc4Cl,0.0
60685,CO-ADD:0155858,-0.87,CC1=CC=C(C)C=C1NC2=NC(C(C=C3)=CC=C3C4=CC=CC=C4)=CS2,0.0
60686,CO-ADD:0155140,-0.87,O=C1N(C2=CC=CC=C2)C(SCC(NCCOC3=CC=CC=C3)=O)=NC4=C1C=C(Br)C=C4,0.0
60687,CO-ADD:0232641,-0.87,S(=O)(=O)(NCc(ccc(c12)OCO1)c2)c(cccc3[N+](=O)[O-])c3,0.0
60688,CO-ADD:0155093,-0.87,N#CC([C@@H](C1=CC(OC)=CC=C1)[C@@H]2C(C3(C[C@@H]4C5)C[C@@H]5C[C@@H](C4)C3)=O)(C#N)[C@@]6([H])N2C=CC7=C6C=CC=C7,0.0
60689,CO-ADD:0156330,-0.87,[O-][N+](/N=C(N)\N/N=C/C1=CC=C(O1)C(C=C(C)C(C)=C2)=C2[N+]([O-])=O)=O,0.0
60690,CO-ADD:0222966,-0.87,N1(c2ccc(cc2)Br)C(=O)C(C(C1=O)C34\C=N\O)C(c(c35)cccc5)c(c46)cccc6,0.0
60691,CO-ADD:0162615,-0.87,C(C(OCC)=O)(C1c2ccccc2)=C(CSc3c(ccc(c4cccs4)n3)C#N)OC(N)=C1C#N,0.0
60692,CO-ADD:0162183,-0.87,N1C(N\N=C\c(cc2)ccc2OCC)=Nc(c3C1=O)cccc3,0.0
60694,CO-ADD:0154323,-0.87,NC1=C2C(CCCC2)=NC3=C1C(C4=CC(OC)=C(C=C4)OC)C5=C(O3)C=CC6=C5C=CC=C6,0.0
60695,CO-ADD:0235087,-0.87,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(CNc(cc3)ccc3C)=O)Br,0.0
60696,CO-ADD:0162387,-0.88,c1(oc(c2n1)cccc2)c3ccc(cc3O)\N=C\c(ccc4c5ccc(cc5)F)o4,0.0
60697,CO-ADD:0154360,-0.88,NC1=NC(N2C3CCC2CC3)=C(C=C1C#N)C#N,0.0
60698,CO-ADD:0154365,-0.88,[H][N+]1(CCC(C2=CC=CN2C)=CC1)C.[Cl-],0.0
60699,CO-ADD:0154315,-0.88,NC1=C2C(CCCC2)=NC3=C1C(C4=CC=CC=C4)C5=C(O3)C6=C(C=CC=C6)C=C5.Cl,0.0
60700,CO-ADD:0154317,-0.88,NC1=C2C(CCCC2)=NC3=C1C(C4=CC=C(C)C=C4)C5=C(O3)C=CC6=C5C=CC=C6,0.0
60701,CO-ADD:0154410,-0.88,OC(C=C1)=CC=C1/C=C(NC(C2=CC=CC=C2)=O)/C(OC)=O,0.0
60702,CO-ADD:0164635,-0.88,COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1.O.Br,0.0
60703,CO-ADD:0164940,-0.88,C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O,0.0
60704,CO-ADD:0164629,-0.88,CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl,0.0
60705,CO-ADD:0156129,-0.88,O=C(N/N=C/C1=CC=C(C)O1)C2=CC=CC=C2OC,0.0
60706,CO-ADD:0156180,-0.88,[O-][N+](C(C=C1)=CC=C1C(OC2=CC(OC3=O)=C(C=C3)C(C)=C2)=O)=O,0.0
60707,CO-ADD:0156429,-0.88,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C(C)/C3=CC=CC=C3)=NC(NC4=CC(C)=C(C)C=C4)=N2)=O.Cl,0.0
60708,CO-ADD:0156061,-0.88,O=C1OC(C2=CC=CC=C2C)=N/C1=C\C3=CC(OC)=C(C(OC)=C3)OC,0.0
60709,CO-ADD:0156369,-0.88,O=C(C1=CC=CO1)NCC(N/N=C/C2=CNN=C2C3=CC=CC=C3)=O,0.0
60710,CO-ADD:0156096,-0.88,O=C1/C(N=C(C2=CC=CC(C)=C2)O1)=C/C3=CC=C(C(OCC)=C3)OC(C)=O,0.0
60711,CO-ADD:0232591,-0.88,C1(\N=C\c2cc(ccc2N3CCCCCC3)[N+](=O)[O-])=C(C)N(N(c4ccccc4)C1=O)C,0.0
60712,CO-ADD:0155740,-0.88,O=C(C(SC1)C2CCCC(OC)=O)C1(NC(C3=CC=CC=C3)=O)C4(O)C2SCC4NC(C5=CC=CC=C5)=O,0.0
60713,CO-ADD:0232242,-0.88,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(ccc(c4Cl)OC)c4,0.0
60714,CO-ADD:0155204,-0.88,BrC(C1=C2N=CC=C1)=CC=C2/N=C\C3=CC(O)=C(OCC)C=C3,0.0
60715,CO-ADD:0155220,-0.88,[O-][N+](C1=CC(NC(CSC2=NC(C=CC=C3)=C3N2)=O)=CC=C1F)=O,0.0
60716,CO-ADD:0155364,-0.88,O=C(COC1=CC=C(C)C=C1)NC2=NC=CS2,0.0
60717,CO-ADD:0235458,-0.88,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
60718,CO-ADD:0161526,-0.88,N1(CN(CC2)CCN2S(=O)(=O)c3ccc(cc3)C)c(cccc4)c4C(=O)C1=O,0.0
60719,CO-ADD:0160680,-0.88,O=C(N/N=C/C1=CC=CC(OC2=CC=CC=C2)=C1)C3=CC=C(OCC=C)C=C3,0.0
60720,CO-ADD:0223381,-0.88,C(/C#N)(=C\c1ccccc1)\C(=O)Nc(ccc(c2C)C)c2,0.0
60721,CO-ADD:0235056,-0.88,C(=O)(C(c1ccccc1)c2ccccc2)N(CC3)CCN3C.Cl,0.0
60722,CO-ADD:0160216,-0.88,[O-][N+](C1=CC(C(N/N=C/C2=CSC3=C2C=CC=C3)=O)=CC([N+]([O-])=O)=C1)=O,0.0
60723,CO-ADD:0155090,-0.88,N#CC1(C#N)[C@]2([H])N([C@H](C(C3(C[C@@H]4C5)C[C@@H]5C[C@@H](C4)C3)=O)[C@H]1C6=CC=C(OCC)C=C6)C(C=CC=C7)=C7C=C2,0.0
60724,CO-ADD:0155562,-0.88,ClC(C=C(Cl)C=C1)=C1/C=N/C2=CC=C(C=C2)C3=NC(C=CC=C4)=C4S3,0.0
60725,CO-ADD:0155162,-0.88,OC1=CC=C(/C=N/C2=C(C3=CC=CO3)N=C4C=CC=CN24)C=C1OC,0.0
60726,CO-ADD:0235457,-0.88,c1(NC(COC(CNC(C)=O)=O)=O)sc(c2c1C(OCC)=O)CCC2,0.0
60727,CO-ADD:0222986,-0.89,N1(CNc(ccc(c2C)C)c2)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OC)OC,0.0
60728,CO-ADD:0162474,-0.89,C(/CN(CCCC)CCCC)(=N/O)\C(=O)Nc1ccccc1,0.0
60729,CO-ADD:0162482,-0.89,n1(c2ccccc2)cccc1\C=N\NC(c(cc3)ccn3)=O,0.0
60730,CO-ADD:0162498,-0.89,c(C(=O)c(cccc1)c1C2=O)(c3c4ccc(cc4)Cl)c2c(n3c5ccccc5N)c6ccccc6,0.0
60731,CO-ADD:0222881,-0.89,N(=C\c(cc1)ccn1)/c2ccccn2,0.0
60732,CO-ADD:0223295,-0.89,c1(SCC(=O)N\N=C\c(cc2)ccc2F)sc(c3n1)cccc3,0.0
60733,CO-ADD:0235517,-0.89,n1(\N=C\c2ccccc2C(F)(F)F)nnnc1N,0.0
60734,CO-ADD:0154512,-0.89,O=C1SC(C)=N/C1=CC2=CC=CC=C2,0.0
60735,CO-ADD:0161242,-0.89,c1(n2)c(c3c(cccc3)C1=O)nc(non4)c24,0.0
60736,CO-ADD:0161246,-0.89,c(N(C)C)(c1)nc(c2c1NC(CNC(C)Cc3ccccc3)=O)cccc2,0.0
60737,CO-ADD:0161187,-0.89,c1(I)ccc(\C=N\NC(COc(cc2)ccc2Cl)=O)o1,0.0
60738,CO-ADD:0161411,-0.89,c1(CSCC(=O)Nc2ccccc2)c(C)ccc(cccc3)c13,0.0
60739,CO-ADD:0223541,-0.89,c12c(cccn1)c(ccc2O)COC,0.0
60740,CO-ADD:0230140,-0.89,C(OCC)(=O)N\N=C\c(ccc(c12)cccc1)c2,0.0
60741,CO-ADD:0230148,-0.89,c1([N+](=O)[O-])nn(cc1[N+](=O)[O-])CC(C)=O,0.0
60742,CO-ADD:0230879,-0.89,C(=C/c1ccccc1O)(/c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c23)\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
60743,CO-ADD:0156152,-0.89,O=C(C1=CC=CC=C1)N2C3=C(SC4=C2C=CC=C4)C=CC(Cl)=C3,0.0
60744,CO-ADD:0155581,-0.89,O=C(C(NCC1=CC(OCO2)=C2C=C1)=O)NC3=C(C)C(Cl)=CC=C3,0.0
60745,CO-ADD:0156498,-0.89,O=C(OCCCCCCCCC)NC1=CC=C(C(Cl)=C1)Cl,0.0
60746,CO-ADD:0156506,-0.89,O=C(N(C)C1=CC=CC=C1)C/C(C)=N\NC(CC2=CC=C(C3=CC=CC=C3)C=C2)=O,0.0
60747,CO-ADD:0156162,-0.89,O=C(C1=CC=C(SC2=CC=CC=C2NC(C)=O)C3=C1C4=CC=C3)N(N)C4=O,0.0
60748,CO-ADD:0156341,-0.89,[O-][N+](C(C=C1)=CC=C1/C=C(NC(C2=CC=CC=C2)=O)/C(N/N=C(C3=CC(C)=CC=C3N4C)\C4=O)=O)=O,0.0
60749,CO-ADD:0155268,-0.89,O=C(OCC(F)(F)F)C1=C(SC)SN=C1SC,0.0
60750,CO-ADD:0160196,-0.89,BrC1=C(O)C(/C=N/C2=CC(N=C(C3=CC=CC(C)=C3)O4)=C4C=C2)=CC(Cl)=C1,0.0
60751,CO-ADD:0158482,-0.89,O=C(C1=CC(OC2=CC=C(C=C2)C(O)=O)=CC=C31)N(C4=CC=C(C(C)=O)C=C4)C3=O,0.0
60752,CO-ADD:0161631,-0.89,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3C(OC)=O,0.0
60753,CO-ADD:0161496,-0.89,[N+](=O)([O-])\N=C(/N)\NNc1ccccc1,0.0
60754,CO-ADD:0232773,-0.89,c1(N\N=C(/C)\c2ccc(cc2)Cl)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
60755,CO-ADD:0160008,-0.89,[O-][N+](C1=CC(NCN2C(OC3=C2C=CC(Br)=C3)=O)=CC=C1)=O,0.0
60756,CO-ADD:0160585,-0.89,[O-][N+](C1=C(OC(C2=C(C=CC=C3)C3=CC=C2)=O)C=CC(/C=N/NC(C(C(N/N=C/C4=CC([N+]([O-])=O)=C(OC(C5=C(C=CC=C6)C6=CC=C5)=O)C=C4)=O)=CC7=CC=C(C=C7)[N+]([O-])=O)=O)=C1)=O,0.0
60757,CO-ADD:0232034,-0.89,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cccc2OC(=O)c3ccccc3Br)c2,0.0
60758,CO-ADD:0159841,-0.89,O=C(COC1=C(Br)C=C(OC)C=C1)N/N=C\C(C)=C/C2=CC=C(C=C2)/C=C(C)\C=N/NC(COC3=C(Br)C=C(OC)C=C3)=O,0.0
60759,CO-ADD:0159730,-0.89,O=C(C1=CC=C(Br)C=C1)NN2C=NN=C2,0.0
60760,CO-ADD:0155859,-0.89,S=C(OC1=CC(C(NC2=CC=C(Cl)C=C2)=O)=CC=C1)NC3=C(C=CC=C4)C4=CC=C3,0.0
60761,CO-ADD:0154987,-0.89,O=C(C[N+]1=CC=C(C2=CC=[N+](C=C2)CC(C3CC3)=O)C=C1)C4CC4,0.0
60762,CO-ADD:0156230,-0.89,[O-][N+](C1=CC(/C(C)=N/NC(/C(NC(C2=CC=CC=C2)=O)=C\C3=CC=C(C(OC)=C3)OC)=O)=CC=C1)=O,0.0
60763,CO-ADD:0235371,-0.89,n1(c2cc(C)n1)c(cc(n3)C)n3c(cc(C)n4)n24,0.0
60764,CO-ADD:0155134,-0.9,O=C(CC1=CC=CC=C1)N/N=C/C2=CN(CC3=CC=CC=C3)C4=C2C=CC=C4,0.0
60765,CO-ADD:0163418,-0.9,c1(c2ccc(cc2)I)ccc(\C=N\NC(CNC(=O)c3ccco3)=O)o1,0.0
60766,CO-ADD:0223031,-0.9,C(=O)(N\N=C\c(ccc1SCC(=O)Nc(ccc(c23)cccc2)c3)o1)c4ccco4,0.0
60767,CO-ADD:0154289,-0.9,CC1=NN(C2=CC=CC=C2)C3=C1C(NC4=CC=CC=C4)=NC(C)=N3,0.0
60768,CO-ADD:0161646,-0.9,C(c1ccccc1)(=O)NC(C)C(=O)N\N=C\c(cc2)ccc2Br,0.0
60769,CO-ADD:0235496,-0.9,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(cc4)Cl,0.0
60770,CO-ADD:0232813,-0.9,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)Nc(cc3)ccc3CCCC,0.0
60771,CO-ADD:0161934,-0.9,c1(c(O)c(\C=N\c(ccc(c23)oc(c4ccc(c5c4)cccc5)n2)c3)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
60772,CO-ADD:0162791,-0.9,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2ccccc2C,0.0
60773,CO-ADD:0162799,-0.9,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2O)c3ccccc3Cl,0.0
60774,CO-ADD:0162909,-0.9,c1(cc(C)cc(C)c1NC(=O)c2cccc(Cl)c2)[N+](=O)[O-],0.0
60775,CO-ADD:0163016,-0.9,C(CNc1ccccc1C)(=O)N\N=C\c2cccc(Cl)c2,0.0
60776,CO-ADD:0161164,-0.9,c1(c2ccc(cc2)Br)ccc(\C=N\NC(COc3c(C)cccc3C)=O)o1,0.0
60777,CO-ADD:0156205,-0.9,[O-][N+](C1=C(O)C(/C=N/C2=CC=C(C(O)=C2)C3=NC(C=C4C)=C(C=C4)O3)=CC=C1)=O,0.0
60778,CO-ADD:0158785,-0.9,O=C1C2=C(C=CC=C2)C(C3=C1C=C4)=C(C=C(C)C=C5)C5=NC3=C4NC(C=C6)=CC=C6C,0.0
60779,CO-ADD:0156267,-0.9,O=S(C(C=C1)=CC=C1NC(CCC(O)=O)=O)(C(C=C2)=CC=C2NC(CCC(O)=O)=O)=O,0.0
60780,CO-ADD:0156283,-0.9,N#CC1=CC=CC(C2C([N+]([O-])=O)=C(N)OC3=C2C=C(O)C=C3)=C1.C(=O)O,0.0
60781,CO-ADD:0156107,-0.9,[O-][N+](C1=CC=CC=C1OCC(N/N=C(C)/C2=CC(OC)=C(OC)C=C2)=O)=O,0.0
60782,CO-ADD:0156379,-0.9,O=S(N1CCOCC1)(C2=CC(C(OCC3=CC=CO3)=O)=CC=C2)=O,0.0
60783,CO-ADD:0161520,-0.9,c1(NC(CC(CC2C3)CC34)(C4)C2)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
60784,CO-ADD:0232216,-0.9,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(COc3ccccc3C)=O,0.0
60785,CO-ADD:0235620,-0.9,s1c(c(cc2)ccc2[N+](=O)[O-])nnc1NC(CSc(cc3)ccc3Cl)=O,0.0
60786,CO-ADD:0159862,-0.9,O=C(C1=CC=CC(Br)=C1)N(CC2)C(C3=CC=C(Cl)C=C3)C4=C2C(C=CC=C5)=C5N4,0.0
60787,CO-ADD:0159735,-0.9,S=C(O1)N(CNC2=CC=CC=C2C(OC)=O)N=C1C3=CC=CC=C3,0.0
60788,CO-ADD:0159743,-0.9,O=C(NC(C(C)=C1)=CC=C1C2=CC(C)=C(C=C2)NC(C(C3)C3C4=CC=CC=C4)=O)C(C5)C5C6=CC=CC=C6,0.0
60789,CO-ADD:0160058,-0.9,N#CC1=C(SCC(C(F)(F)F)=O)N=C(C2=CC=C(C)C=C2)C(C)=C1,0.0
60790,CO-ADD:0159786,-0.9,O=C(N/N=C/C1=CC=C(C(OC)=C1)C)C2=CC(F)=CC=C2,0.0
60791,CO-ADD:0159845,-0.9,O=C(N(C1CCCCC1)C2CCCCC2)C(C=C3)=CC=C3C(N(C4CCCCC4)C5CCCCC5)=O,0.0
60792,CO-ADD:0159861,-0.9,[O-][N+](C1=C(C=C(C)C(C)=C1)C2=CC=C(/C=C3C(N4C(S/3)=NC5=CC=CC=C45)=O)O2)=O,0.0
60793,CO-ADD:0161606,-0.9,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)N(C)C)c1,0.0
60794,CO-ADD:0161071,-0.9,C(=O)(N\N=C\c(cccn1)c1)C(C)Oc(cc2)ccc2Cl,0.0
60795,CO-ADD:0235126,-0.91,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(cc2)ccc2Cl)=O)c3cccc(F)c3,0.0
60796,CO-ADD:0163898,-0.91,c1(c2ccc(c3c2O)cccc3)[nH]c(c(c4ccccc4)n1)c5ccccc5,0.0
60797,CO-ADD:0163766,-0.91,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C\c2ccccc2Cl,0.0
60798,CO-ADD:0163398,-0.91,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O,0.0
60799,CO-ADD:0235473,-0.91,n(c1c2ccccc2)c(SC)c(c(SC)n1)C(C)=O,0.0
60800,CO-ADD:0232118,-0.91,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2cc(Br)ccc2OC,0.0
60801,CO-ADD:0235859,-0.91,[N+](=O)([O-])c(ccc(c1C(=O)OCC(=O)c(cc2)ccc2[N+](=O)[O-])C(=O)OCC(=O)c(cc3)ccc3[N+](=O)[O-])c1,0.0
60802,CO-ADD:0161662,-0.91,C(CNc(cc1)ccc1C)(=O)N\N=C\c2cccc(CC=C)c2O,0.0
60803,CO-ADD:0232468,-0.91,n1c2c(oc1c3cccc(c3)\N=C\c(cc(OCO4)c4c5)c5Br)cccc2C,0.0
60804,CO-ADD:0232629,-0.91,C(/C1=O)(=C/c2ccccc2OCCCCCC)\C(c3ccccc3)=NO1,0.0
60805,CO-ADD:0232636,-0.91,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)Nc2ccc(cn2)Cl,0.0
60806,CO-ADD:0161846,-0.91,c(Nc1ccccc1C)(nc(N\N=C\C(\C)=C\c2ccccc2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
60807,CO-ADD:0161364,-0.91,c1(SC(C)C(OCC)=O)nc(c2cccs2)cc(c3ccc(cc3)F)c1C#N,0.0
60808,CO-ADD:0161228,-0.91,c1(c2c([nH]c1C)cccc2)C(N(C3)C4)N(CC35C)CC4(C5=O)C,0.0
60809,CO-ADD:0161804,-0.91,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c2cccc(OC)c2O)nc3Nc(cc4)ccc4OC)n3,0.0
60810,CO-ADD:0161232,-0.91,N1(c(cccc2C(c3ccccc3)=O)c2)C(=O)c(cc4)c(c5C1=O)c(c4C6=O)c(cc5)C(N6c(cccc7C(c8ccccc8)=O)c7)=O,0.0
60811,CO-ADD:0164470,-0.91,CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12,0.0
60812,CO-ADD:0228462,-0.91,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c(ccs2)c2,0.0
60813,CO-ADD:0228535,-0.91,N12C(S\C(=C/c3cccc(F)c3)\C1=O)=C(C(c4cccc(F)c4)C(C#N)=C2N)C#N,0.0
60814,CO-ADD:0156294,-0.91,S=C(NC(C1=CC=C(Cl)C=C1)=O)NC2=NN=C(C)S2,0.0
60815,CO-ADD:0158730,-0.91,O=S(N/N=C/C1=C(O)C=C(O)C=C1)(CCCCCCCCC)=O,0.0
60816,CO-ADD:0156241,-0.91,O=C(C1=C2C=CC(OC3=CC=C(C=C3)[N+]([O-])=O)=C1)N(C4=CC([N+]([O-])=O)=CC=C4C)C2=O,0.0
60817,CO-ADD:0230162,-0.91,C(=O)(Nc(cc1)ccc1OC)\C=C\c2ccccc2,0.0
60818,CO-ADD:0155777,-0.91,OC(C=C1)=C(C=C1/N=C\C2=CC(C)=CC=C2O)C3=NC(C=CC=C4)=C4S3,0.0
60819,CO-ADD:0160039,-0.91,N#CC(C#N)C(C1=CC=CC=C1)C(C(C)=O)C(OCC)=O,0.0
60820,CO-ADD:0160076,-0.91,O=C([C@@H](CN(C)C)[C@@H](C1)C(C)2C)[C@H]1[C@@H]2C.Cl,0.0
60821,CO-ADD:0160396,-0.91,O=C1N(C2=CC=C3C=CC=CC3=C2)C(C4=C1C=C5C=CC=CC5=C4)=O,0.0
60822,CO-ADD:0160664,-0.91,O=C(C1=CC(Br)=CC=C1)N/N=C/C2=CC=C(SCC(NC3=CC=CC=C3)=O)O2,0.0
60823,CO-ADD:0160625,-0.91,[O-][N+](C1=CC=CC=C1/C=C/C=N/C2=C(O)C=C(C)C=C2)=O,0.0
60824,CO-ADD:0160665,-0.91,O=C(N/N=C/C1=CC=CS1)C(NC2=C(CC)C=CC=C2CC)=O,0.0
60825,CO-ADD:0155972,-0.91,O=C(C1N2CCN(C3=CC=CC(C(F)(F)F)=C3)CC2)N(C4=CC=CC=C4)C(C1)=O,0.0
60826,CO-ADD:0160170,-0.91,[O-][N+](C(C=C1)=CC(Br)=C1NC(COC(C=C2)=CC=C2C)=O)=O,0.0
60827,CO-ADD:0160266,-0.91,O=C(N/N=C/C(C=CC=C1)=C1Cl)CCOC(C=CC=C2)=C2C,0.0
60828,CO-ADD:0163970,-0.91,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c12)cccc1)c2)C(NCCOC)=O,0.0
60830,CO-ADD:0232294,-0.91,c1(NC(=O)c2ccc(cc2)Br)sc(c(C)c1C(OCC)=O)C,0.0
60831,CO-ADD:0223403,-0.91,C(=O)(N\N=C\c(cc1OC)cc(c1OC)OC)C(=O)Nc2ccccc2CC,0.0
60832,CO-ADD:0163498,-0.91,N(=C(/C)\c(cc1)ccc1C(C)(C)C)/NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
60833,CO-ADD:0163362,-0.91,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c(ccc(c2Br)OC)c2,0.0
60834,CO-ADD:0162089,-0.91,c1(CC(=O)Nc2ccccc2)cc(c3n1C)cccc3,0.0
60835,CO-ADD:0162121,-0.92,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c6ccc(cc6)Cl)o5,0.0
60836,CO-ADD:0232666,-0.92,N1(c2ccc(cc2)OC)C(=O)CSC1c3ccc(cc3)Cl,0.0
60837,CO-ADD:0162476,-0.92,N1(C(=O)c2c(C(c3ccc(cc3)F)=N1)cccc2)c4cc(Cl)ccc4[N+](=O)[O-],0.0
60838,CO-ADD:0154347,-0.92,CC(OC(N)=C(C1C2=CC=C(C=C2)OC)C#N)=C1C(OCC)=O,0.0
60839,CO-ADD:0161361,-0.92,C(C(OCC)=O)(C1c2ccc(cc2)Br)=C(CSc3nc(C)cc(C)c3C#N)OC(N)=C1C#N,0.0
60840,CO-ADD:0161177,-0.92,C(=O)(NCC(=O)N\N=C\C(\C)=C\c1ccccc1)c2ccco2,0.0
60841,CO-ADD:0161725,-0.92,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
60842,CO-ADD:0161861,-0.92,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc(cc2)ccc2[N+](=O)[O-])=O)N(CC3)CCO3)c1,0.0
60843,CO-ADD:0163801,-0.92,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c2cccc(F)c2,0.0
60844,CO-ADD:0149764,-0.92,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC=C(C=C4)OC)C#N,0.0
60845,CO-ADD:0149776,-0.92,NC(N=C(C(C#N)=C1)NC2CCN(CC3=CC=CC=C3)CC2)=C1C#N,0.0
60846,CO-ADD:0137900,-0.92,COC1=CC(C2C(C#N)=C(N)OC3=C2OC(CO)=CC3=O)=C(OC)C4=C1OCO4,0.0
60847,CO-ADD:0149027,-0.92,c(OC)(cc(c12)ccnc1c3c(cc(OC)c(OC)c4)c4[nH]c3)c(c2)OC,0.0
60849,CO-ADD:0149829,-0.92,NC(N=C1Cl)=NC(NCCO)=C1C#N.Cl,0.0
60852,CO-ADD:0148716,-0.92,C1(c2ccccc2OC)=C(C)Oc3c(ccc(OC)c3)C1=O,0.0
60853,CO-ADD:0148889,-0.92,C1(C#N)=C(N)Oc2c(ccc(c2)N)C1c3cccc(OC)c3,0.0
60854,CO-ADD:0149161,-0.92,n1c(n2c(N3)c(c(C)n2)C(c(c4)ccc(OC)c4)CC3=O)ccc(n1)Cl,0.0
60857,CO-ADD:0148820,-0.92,c(cc1C(=O)Cc(cc2OC)cc(OC)c2OC)c(OC)cc1,0.0
60859,CO-ADD:0148856,-0.92,C1(C(OC)=O)=C(C)NC(=S)NC1c2ccc(cc2)OC,0.0
60860,CO-ADD:0148864,-0.92,c1(n(CC#C)c2c(cccc2)n1)c3nonc3N,0.0
60861,CO-ADD:0148720,-0.92,c1(oncc1c2ccc(cc2)OC)c3ccc(cc3O)OC,0.0
60862,CO-ADD:0148957,-0.92,C1(CC(=O)Nc(cc(OCO2)c2c3)c13)c4cc5c(cc4Br)OCO5,0.0
60864,CO-ADD:0149748,-0.92,NC1=C(C=C(C(OC)=N1)C#N)C#N,0.0
60865,CO-ADD:0149388,-0.92,c(O)(c1OC)cc(NC(c(cc2OC)cc(OC)c2OC)=O)cc1,0.0
60866,CO-ADD:0149247,-0.92,c1(C(c(cc2OC)ccc2OC)=O)c(N)c(c(c(cc3)ccc3)c4c(CCCC4)n5)c5s1,0.0
60868,CO-ADD:0148644,-0.92,c(s1)(c(c(N)c1C(c(cc2OC)ccc2OC)=O)cc3)nc3c(cc4)c(OC)cc4,0.0
60870,CO-ADD:0140013,-0.92,O=[N+](C1=CC=C(C2=C(NC3=CC=CC=C3)C=CC=C2C4=CC=CC=C4)C=C1)[O-],0.0
60871,CO-ADD:0140021,-0.92,O=[N+](C1=CC=C(C2=C(OC)C=CC=C2NC3=CC=CC=C3)C(OC)=C1)[O-],0.0
60872,CO-ADD:0149018,-0.92,c1(c2nc(C(F)(F)F)[nH]1)c(NC(c(c3)cccc3Cl)=O)ccc2,0.0
60873,CO-ADD:0149283,-0.93,C(=O)(c(ccc(OC)c1O)c1)c(cc2OC)cc(OC)c2OC,0.0
60874,CO-ADD:0149308,-0.93,c(c1)c(Cc(c2)ccc(F)c2)cc(c(nn3)oc3c(c4)cccc4Cl)c1OC,0.0
60875,CO-ADD:0149136,-0.93,c(Nc(cc1)ccc1OC)(non2)c2c3nc(NCc(ccc(F)c4)c4)on3,0.0
60876,CO-ADD:0149666,-0.93,NC(C(C#N)=C1)=NC(NCCCC2CCN(CC3=CC=CC=C3)CC2)=C1C#N,0.0
60878,CO-ADD:0149154,-0.93,c1c(cc2c(c1)oc(n2)c(cc(c(c3OC)OC)OC)c3)NC(=O)c4ccc(OC)cc4,0.0
60879,CO-ADD:0137675,-0.93,C12(C)N(CCc(cccc3)c13)C(OC2(CC4(C)C)CC(N4)(C)C)=O,0.0
60880,CO-ADD:0148607,-0.93,O=C(OCC1=CC=CC=C1)NC(CC2=CC=CC=C2)C3=C(C(OC)=O)C4=CC=CC=C4N3,0.0
60881,CO-ADD:0149699,-0.93,C=C1CN(CC2=CC=CC=C2)C(N1C3=N)=C(C(C4=CC=CC=C4)=C3C#N)C#N,0.0
60882,CO-ADD:0148955,-0.93,c1(cc(OCO2)c2c3)c3C(CC(=O)N1)c4ccc(cc4)OC,0.0
60883,CO-ADD:0148883,-0.93,C1(C#N)=C(N)Oc2c(ccc(c2)O)C1c3cccc(OC)c3,0.0
60884,CO-ADD:0149037,-0.93,c1(c2nc(C)[nH]1)c(NCc3cc(OCC)c(OC)cc3)ccc2.Cl,0.0
60885,CO-ADD:0149369,-0.93,c1(ncn2c3ccc(cc3)F)c2C(CC(=O)N1)c4ccc(cc4)OC,0.0
60886,CO-ADD:0149346,-0.93,c1(c2cc(c(c3)cc(OC)cc3)[nH]1)cc([N+](=O)[O-])cc2O,0.0
60887,CO-ADD:0137733,-0.93,O=C(c1n(C)c([N+](=O)[O-])cn1)NC2CCCCC2,0.0
60888,CO-ADD:0149702,-0.93,BrC1=CC(C)=CN=C1NC(OC(C)(C)C)=O,0.0
60889,CO-ADD:0149335,-0.93,c(cc(O)cc1)(c1C2c(cc3)ccc3OC)NC(=O)C2,0.0
60890,CO-ADD:0149343,-0.93,COc(c(OC)cc(C(c(c1N2)cc3c(OCCO3)c1)C(=C2C4)C(O4)=O)c5)c5OC,0.0
60891,CO-ADD:0149299,-0.93,c(c(c1n2)cc(c(O3)c1)OC3)(c(cc(OCO4)c4c5)c5)c(c2C6)C(O6)=O,0.0
60892,CO-ADD:0140016,-0.93,ClC1=C(C2=CC=CC=C2NC3=CC=CC=C3)C(Cl)=CC(Br)=C1,0.0
60893,CO-ADD:0149709,-0.93,ClC(NC(OC)=C(C1C2=CC=CC=C2)C#N)=C1C=O,0.0
60894,CO-ADD:0149710,-0.93,O=C1CC(C2=CC=CC=C2)C(C(OCC)=O)=C(C)N1,0.0
60895,CO-ADD:0137845,-0.93,COC1=C(OC)C2=C(OCO2)C=C1CC3CC(C(N)=O)=NO3,0.0
60896,CO-ADD:0137868,-0.93,O=C1NC(N2C3=NC4=C(N3)C=CC=C4)=C(C(C)=N2)C(C5=CC(OC)=C(OC)C=C5)C1,0.0
60897,CO-ADD:0137709,-0.93,c(c(nc(NCc(ccc(OC)c1)c1)o2)n2)(c3N)non3,0.0
60898,CO-ADD:0137715,-0.93,c(c(nc(NCc(ccc(F)c1)c1)o2)n2)(c3N)non3,0.0
60899,CO-ADD:0137892,-0.93,COC1=C2C(OCO2)=C(OC)C=C1/C=C/C(N3CCCC3)=O,0.0
60900,CO-ADD:0137821,-0.93,COC1=CC=C(NC2=NON=C2C3=NOC(NCC4=CC(OC)=C(OC)C=C4)=N3)C=C1,0.0
60901,CO-ADD:0137823,-0.93,COC1=CC=C(OC2=NON=C2N)C=C1,0.0
60902,CO-ADD:0148870,-0.93,o(c(c1cccc(OC)c1)nn2)c2c3ccc(c(OC)c3)OC,0.0
60903,CO-ADD:0137632,-0.93,c1(C(=O)NN=Cc(cc2)ccc2OC)nonc1N,0.0
60904,CO-ADD:0137699,-0.93,c1(Nc(nn2)oc2c(c3N)nsc3)ccc4c(OCO4)c1,0.0
60905,CO-ADD:0248695,-0.93,ClC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4=CC(F)=C(F)C=C4)N32,0.0
60906,CO-ADD:0140033,-0.93,O=[N+](C1=CC=C(C2=CC=CC=C2N(CC3=CC=CC=C3)C4=CC=CC=C4)C=C1)[O-],0.0
60908,CO-ADD:0149398,-0.93,c1c(OC)cc(C2C(C#N)=C(N)Oc(c3)c2cc(O4)c3OC4)cc1,0.0
60909,CO-ADD:0137731,-0.93,O=C(c1n(C)c([N+](=O)[O-])cn1)N2CCCC2,0.0
60911,CO-ADD:0137822,-0.94,COC1=CC=C(NC2=NON=C2C3=NOC(NCC4=CC5=C(OCO5)C=C4)=N3)C=C1,0.0
60912,CO-ADD:0137830,-0.94,COC(C(OCO1)=C1C(OC)=C2)=C2CC3ON=C(C4=CC=C(OC)C=C4)C3,0.0
60913,CO-ADD:0149505,-0.94,c(C(=O)C1OC1c(cc2OC)ccc2OC)(c3Br)cc(OC)c(OC)c3,0.0
60914,CO-ADD:0149606,-0.94,OCC1=CC2=CC(OCCCC3CCN(CC4=CC=CC=C4)CC3)=CC=C2N1C,0.0
60915,CO-ADD:0149615,-0.94,ClC1=C2C(NC(C(C)C2)=O)=C3C(N=C(CCCC4)C4=C3N)=N1,0.0
60916,CO-ADD:0149418,-0.94,c(C1C(C#N)=C(N)Oc(cc2O)c1cc2)(c(OC)c3)ccc3OC,0.0
60917,CO-ADD:0149242,-0.94,c(cc1)c(Br)cc1c([nH]2)nc(c(c3NCc4ccncc4)[nH]nc3)n2,0.0
60918,CO-ADD:0149469,-0.94,c1(C(=O)OCC)c(c(cc2OC)cc(OC)c2OC)n(c(cc3)ccc3OC)nn1,0.0
60919,CO-ADD:0140027,-0.94,O=[N+](C1=CC=C(C2=CC=CC=C2NC3=C(C)C=C(C)C=C3C)C=C1)[O-],0.0
60920,CO-ADD:0149762,-0.94,NC(OC1=C2C(C=CC=C3)=C3C=C1)=C(C2)C#N,0.0
60921,CO-ADD:0149623,-0.94,NC1=C2C(CCCC2)=NC3=C1C4=CC(OC)=CC=C4N3,0.0
60922,CO-ADD:0153113,-0.94,CN1C=C(NC(C2=CC(NC(C3=CN=C(C=CC=C4)C4=C3)=N)=CN2C)=O)C=C1C(NC5=CN(C)C(C(NCCCN(C)C)=O)=C5)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
60923,CO-ADD:0137850,-0.94,O=C(N)C1=NOC(C1C)C2=CC3=C(C(OC)=C2OC)OCO3,0.0
60924,CO-ADD:0149340,-0.94,c(cc(O)cc1)(c1C2c(cc3)ccc3)NC(=O)C2,0.0
60926,CO-ADD:0241011,-0.94,S(=O)(=O)(c(cc1)ccc1N2C(=O)CCC2=O)N(CC=C)c3ccccc3,0.0
60927,CO-ADD:0242939,-0.94,c12c(C(CC)C(=NN=C1c3ccc(c(OC)c3)OC)C)cc(OC)c(OC)c2,0.0
60928,CO-ADD:0241340,-0.94,C(/c1c2cccc1)(\c3c2cc(C)cc3)=N\c4cccc(cccc5)c45,0.0
60929,CO-ADD:0242767,-0.94,N1(C(c2ccc(cc2)OC)CC(c3ccc(cc3)OC)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N6CCCCC6)n4,0.0
60930,CO-ADD:0241410,-0.94,S1(=O)(=O)c(cccc2)c2C(NCCCO)=N1,0.0
60931,CO-ADD:0245101,-0.94,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)\N=C/c(ccc4c5ccc(cc5)Br)o4)n1,0.0
60932,CO-ADD:0244974,-0.94,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
60933,CO-ADD:0242149,-0.94,c12c(cc(C)c(OC(C)=O)c1)Sc(c3C2=O)cccc3,0.0
60934,CO-ADD:0242792,-0.94,c1(N2CCCCC2)nc(Cl)nc(NCCN(CC3)CCO3)n1,0.0
60935,CO-ADD:0244767,-0.94,c1(c(C)n[nH]c1NCCC(O)=O)[N+](=O)[O-],0.0
60936,CO-ADD:0240614,-0.94,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)\N=C\c(cc4)ccc4F)n1,0.0
60937,CO-ADD:0242488,-0.94,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(OC)c3OC,0.0
60938,CO-ADD:0242043,-0.94,N1(c2ccc(cc2)Cl)C(c(cccc3[N+](=O)[O-])c3)Nc(c4C1=O)cccc4,0.0
60939,CO-ADD:0242288,-0.94,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3)ccc3Br.Cl,0.0
60940,CO-ADD:0245521,-0.94,C(=C\c(ccc(c1OC)C)c1)(/C=C(O2)c3ccc(cc3)C)\C2=O,0.0
60941,CO-ADD:0244615,-0.94,C(=O)(C(CCCC)(CCCC)O)NNc1ccccc1,0.0
60942,CO-ADD:0244622,-0.94,C(=O)(C(CCCC)(CCCC)O)NNc1ccccc1C,0.0
60943,CO-ADD:0245406,-0.94,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(cc3)ccc3Cl)nc(NCc4ccco4)n1.Cl,0.0
60944,CO-ADD:0245592,-0.95,c1(cc(ccc1Nc(cc2)ccc2C)C(O)=O)[N+](=O)[O-],0.0
60945,CO-ADD:0245769,-0.95,N1(c2ccccc2c3ccccc3)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
60946,CO-ADD:0242384,-0.95,C1(C#N)(C#N)[C@@H](c(cc2)ccn2)[C@]([H])(C3)C(C(C(O)=O)=C1N)=CCN3C.C(=O)O,0.0
60947,CO-ADD:0242154,-0.95,[N+](=O)([O-])c(cccc1\C=C(\NC(c2ccccc2)=O)/C(=O)NC(C)C(O)=O)c1,0.0
60948,CO-ADD:0244810,-0.95,n1c(c2ccc(cc2)C)csc1N\N=C(\C)/c(cc3)ccc3C(C)(C)C,0.0
60949,CO-ADD:0242952,-0.95,[n+]1(ccccc1)C(C(NCCc2ccccc2)=O)C(c3ccccc3)[C-](C#N)C#N,0.0
60950,CO-ADD:0242175,-0.95,n1(nnc(C(OCC)=O)c1CN2CCCCC2C)c3nonc3N,0.0
60951,CO-ADD:0240561,-0.95,N1C(=O)\C(\SC1=N)=C\c(ccc2c3cccc(Cl)c3Cl)o2,0.0
60952,CO-ADD:0241259,-0.95,n1(nnc(C(=O)N\N=C(/C)\c2ccccc2)c1CN(CC)CC)c3nonc3N,0.0
60953,CO-ADD:0240712,-0.95,[N+](=O)([O-])c1ccc(cc1)CSc2cccc(cccn3)c23,0.0
60954,CO-ADD:0240188,-0.95,C1(C(=O)N\N=C\c(cc2)ccc2C(C)C)CC1c3ccccc3,0.0
60955,CO-ADD:0240372,-0.95,C1(O)(C(F)F)CC(=O)c(c2O1)ccc(OC)c2,0.0
60956,CO-ADD:0242962,-0.95,[N+](=O)([O-])c1ccc(cc1)\C=C/c(cc2)ccc2NCCCCCCCCCCCCCCCCCC,0.0
60957,CO-ADD:0246103,-0.95,C(=C/Nc1c(C)cc(cc1C)C)(/C2=O)\C(C(F)(F)F)=NN2c(cc3)ccc3[N+](=O)[O-],0.0
60958,CO-ADD:0240754,-0.95,S(=O)(=O)(c1ccc(cc1)F)Nc(cc2)ccc2OCC,0.0
60959,CO-ADD:0240348,-0.95,n1(nnc(C)c1C(=O)N\N=C\c(cc2)ccc2N(CCC)CCC)c3nonc3N,0.0
60960,CO-ADD:0245333,-0.95,N1(c2ccccc2C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)Cl,0.0
60961,CO-ADD:0246076,-0.95,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-],0.0
60962,CO-ADD:0245626,-0.95,N(\C(=N/c1cccc(C)c1)\C2(N3c4ccc(cc4)Br)CCCC2)=C3SC.I,0.0
60963,CO-ADD:0241214,-0.95,C(=N\c(cc1)ccc1OC)(/c2c(N3)ccc(Cl)c2)\C3=O,0.0
60964,CO-ADD:0242672,-0.95,N(C(=O)\C(\S1)=C/c2ccc(cc2OC)OC)=C1N3CCCCC3,0.0
60965,CO-ADD:0241238,-0.95,c1(c(C)n[nH]c1NNC(COc(cc2)ccc2Br)=O)[N+](=O)[O-],0.0
60966,CO-ADD:0245440,-0.95,c1(N(C)C)nc(N\N=C\c2cc(OCO3)c3cc2[N+](=O)[O-])nc(Nc(cc4)ccc4F)n1,0.0
60967,CO-ADD:0242831,-0.95,C(C#N)(C1c2ccc(cc2)CC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
60968,CO-ADD:0245460,-0.95,n1(N)c(C)nnc1N\N=C\c(cc2)cc(c2OC(C)=O)OC.Cl.Cl,0.0
60969,CO-ADD:0245887,-0.95,c(cc(C)cc1\C=N\c2cccc(cccc3)c23)(\C=N\c4cccc(cccc5)c45)c1OC,0.0
60970,CO-ADD:0242963,-0.96,[N+](O)(=O)[O-].n(cn(n1)CCCCC(Cl)(Cl)Cl)c1,0.0
60971,CO-ADD:0242155,-0.96,C(c1ccccc1)(=O)CN(CC#C)CCc2ccccc2.Cl,0.0
60972,CO-ADD:0241078,-0.96,C(=N\Nc1ccccc1)(/c(cccc2C)c2N3)\C3=O,0.0
60973,CO-ADD:0242363,-0.96,C(C#N)(C1c2ccc(c(OC)c2)OCC)=C(N)SC(N)=C1C#N,0.0
60974,CO-ADD:0241377,-0.96,n1(nnc(C(=O)N\N=C(/C=C/c2ccccc2)\C=C\c3ccccc3)c1CN(CC)CC)c4nonc4N,0.0
60975,CO-ADD:0242341,-0.96,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c(cc2)ccc2[N+](=O)[O-],0.0
60976,CO-ADD:0240973,-0.96,S(c1ccccc1)(=O)(=O)N(CC(NCCSc(cc2)ccc2Cl)=O)c3c(OC)ccc(OC)c3,0.0
60977,CO-ADD:0240601,-0.96,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c(cc3)ccc3F)c4nonc4N,0.0
60978,CO-ADD:0240194,-0.96,[N+](=O)([O-])c1ccc(cc1)N\N=C\c(ccc(c2O)OC)c2,0.0
60979,CO-ADD:0240175,-0.96,N1(C)C(=O)CC(N(CC2)CCN2c3ccccn3)C1=O,0.0
60980,CO-ADD:0240628,-0.96,C(=C/c(cc1)ccc1F)(/NC(C)=O)\C(=O)NC(C(C)C)C(O)=O,0.0
60981,CO-ADD:0240193,-0.96,[N+](=O)([O-])c1cc2c(cc1\C=N\c3ccc(cc3C)C)OCO2,0.0
60982,CO-ADD:0245836,-0.96,c12n(ncn1)C(C=C(c3ccccc3)N2)c4ccc(cc4)O,0.0
60983,CO-ADD:0241356,-0.96,S(=O)(=O)(NCc1ccccc1)c2c(OC)ccc(c2)C(=O)Nc3ccccc3,0.0
60984,CO-ADD:0241330,-0.96,c1(C(OC)=O)c(C)[nH]c(C)c1c2ccccc2Cl,0.0
60985,CO-ADD:0245619,-0.96,C1(=S)N\C(\C2(CCCCC2)N1c3ccccc3C)=N/c4cccc(C)c4,0.0
60986,CO-ADD:0242171,-0.96,[n+]1(c2ccccc2C(F)(F)F)noc([O-])n1,0.0
60987,CO-ADD:0241081,-0.96,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C\c(cc4)ccc4OCc5ccccc5,0.0
60988,CO-ADD:0241601,-0.96,C(C(OCC)=O)(=C1C)\C(=C\c2ccccc2Cl)\C(N1CC=C)=O,0.0
60989,CO-ADD:0245462,-0.96,c1(cc(ccc1N(C)C)\C=N\NC(=O)c2nonc2N)[N+](=O)[O-],0.0
60990,CO-ADD:0242800,-0.96,C(/C#N)(\C(OC)=O)=C/c1c(C)cc(c(COC(C)=O)c1C)C,0.0
60991,CO-ADD:0241582,-0.96,c1(Nc(cc2)ccc2NC(C)=O)nc(C)cc(Nc(cc3)ccc3NC(C)=O)n1,0.0
60992,CO-ADD:0241257,-0.96,N1(CC(N(OCOC)C1c(cccc2[N+](=O)[O-])c2)=O)C(c3ccccc3)=O,0.0
60993,CO-ADD:0241533,-0.96,c1(NC(COC(=O)C(C(C)C)NC(c2ccccc2)=O)=O)sc(c3c1C#N)CCCC3,0.0
60994,CO-ADD:0242807,-0.96,S(NCCNC(=O)c1nonc1N)(=O)(=O)c2ccc(c3c2)cccc3,0.0
60995,CO-ADD:0244320,-0.96,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3)cc(c3N(C)C)Br,0.0
60996,CO-ADD:0244907,-0.96,C1(C2NC(=[N+]([H])CC[N+](=C(NC3C4N(C)C(=O)N3C)N4)[H])N1)N(C)C(=O)N2C.[I-].[I-],0.0
60997,CO-ADD:0241866,-0.96,c1(N(CC2)CCO2)nc(N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])nc(NCc5ccccc5)n1,0.0
60998,CO-ADD:0241417,-0.96,N1(c2ccc(cc2)CC)C(c3ccccc3)Nc(c4C1=O)cccc4,0.0
60999,CO-ADD:0244588,-0.96,c(cc(C(C)(C)C)cc1NC(=O)Nc(cc2)ccc2C)(NC(=O)Nc(cc3)ccc3C)c1CC,0.0
61000,CO-ADD:0240293,-0.96,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
61001,CO-ADD:0246128,-0.96,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
61002,CO-ADD:0240493,-0.96,C1(=S)N(C(C)c2ccccc2)C(\C(=N\C(COc3ccccc3)C(C)(C)C)\N1)(C)C,0.0
61003,CO-ADD:0242698,-0.96,c12c(c3c(cccc3)C1=O)nc4c(cccc4C)n2,0.0
61004,CO-ADD:0240288,-0.97,c1(c2c(CCCCCC2)nn3)c3c(c4C1=O)cccc4,0.0
61005,CO-ADD:0240464,-0.97,C1(NC(=O)C(F)(C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F)=C(C)N(N(c2ccccc2)C1=O)C,0.0
61006,CO-ADD:0246045,-0.97,N1(C(c2ccc(c(OC)c2)OC)CC(c3cccs3)=N1)c4scc(c(ccc(c5Br)OC)c5)n4.Br,0.0
61007,CO-ADD:0245844,-0.97,S(c1ccccc1)(=O)(=O)OCC(c2ccccc2)C[N+](=O)[O-],0.0
61008,CO-ADD:0241581,-0.97,N1(c2ccccc2)C(=O)c3c(cc(cc3)NC(=O)c4ccc(cc4)OC(C)=O)C1=O,0.0
61009,CO-ADD:0245783,-0.97,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(c2)cc(cc2C(=O)Nc(cc3)ccc3Cl)C(=O)Nc(cc4)ccc4Cl,0.0
61010,CO-ADD:0242825,-0.97,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2O)cc(c2)O)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
61011,CO-ADD:0241693,-0.97,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2cccc(Cl)c2,0.0
61012,CO-ADD:0242976,-0.97,C12(C(CC(CC13)CC4C3)C4)CC2C\N=C\c(cc5)ccc5Br,0.0
61013,CO-ADD:0244452,-0.97,c1(C)c(CCl)c(C)cc(C)c1\C=N\NC(N)=O,0.0
61014,CO-ADD:0240510,-0.97,C(=O)(CN1CCCCC1)Nc(cc2)ccc2C(C)=O,0.0
61015,CO-ADD:0245701,-0.97,c1(cc(C)nc(ccc(OC)c2)c12)Nc(cc3)ccc3C(O)=O,0.0
61016,CO-ADD:0241077,-0.97,C(=C/c(ccc(c1OC)OCCC)c1)(/C2=O)\N=C(O2)C,0.0
61017,CO-ADD:0244987,-0.97,C(NCCc(ccc(c1OC)OC)c1)(C(OC)=O)(C(F)(F)F)NC(c2ccccc2)=O,0.0
61018,CO-ADD:0240132,-0.97,S1(=O)(=O)c2c(C(Nc3ccc(cc3[N+](=O)[O-])Cl)=N1)ccc(c2)[N+](=O)[O-],0.0
61019,CO-ADD:0240461,-0.97,N(C(C)=O)(C(C)C1)c2c(C1N(c3ccccc3)C(=O)c4cccc(OC)c4)cccc2,0.0
61020,CO-ADD:0240354,-0.97,c1(C(NCC=C)=O)c(Cl)c2c(cccc2)s1,0.0
61021,CO-ADD:0242067,-0.97,N1(CC(OCC(=O)Oc(cc2)ccc2C(OC)=O)=O)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
61022,CO-ADD:0244291,-0.97,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(c(OC)ccc2[N+](=O)[O-])c2,0.0
61023,CO-ADD:0244660,-0.97,N1(c2ccc(cc2)OC)C(=O)C3C(C(CC34)C(C4Br)Br)C1=O,0.0
61024,CO-ADD:0241048,-0.97,S(=O)(=O)(N(CC1)CCO1)c(c(Cl)cc(c2C(=O)Nc3sccn3)Cl)c2,0.0
61025,CO-ADD:0242331,-0.97,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c2c(cccc2F)Cl,0.0
61026,CO-ADD:0241510,-0.97,n1c(csc1N)CC(=O)N\N=C(/C)\CC(=O)Nc2cccc(Cl)c2C,0.0
61027,CO-ADD:0244986,-0.97,C(Nc(ccc(c1Cl)F)c1)(NC(CC(C)C)=O)(C(F)(F)F)C(F)(F)F,0.0
61028,CO-ADD:0242362,-0.97,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCCN3CCCCCC3)c4cccs4,0.0
61029,CO-ADD:0240216,-0.98,c1(nc(c2n1CC(=O)N\N=C\c(ccc3c(cc4)cc(c4[N+](=O)[O-])C)o3)cccc2)c5nonc5N,0.0
61030,CO-ADD:0242313,-0.98,c1(\N=C\c(cc(Br)cc2Br)c2O)c(c3ccc(c(OC)c3)O)nc(cccc4)n14,0.0
61031,CO-ADD:0242101,-0.98,C(/CC1C)(=N/OC(=O)c2cc(OC)cc(OC)c2)\c3c(C1)cc(O)cc3,0.0
61032,CO-ADD:0246220,-0.98,C(=N\NC(=O)c1ccc(cc1)Cl)(/C(c2ccccc2)=C3c4ccccc4)\C(c5ccccc5)=C3c6ccccc6,0.0
61033,CO-ADD:0242236,-0.98,C(=O)(N\N=C\C=C\c1ccccc1)Nc2ccccc2,0.0
61034,CO-ADD:0244994,-0.98,c1(N\N=C\c(cc2OC)cc(c2)OC)sc(c3n1)cccc3,0.0
61035,CO-ADD:0245660,-0.98,c1(N\N=C\c(cc2)ccc2C(O)=O)sc(c3n1)cccc3,0.0
61036,CO-ADD:0242865,-0.98,C(C#N)(C(c1ccc(cc1Cl)Cl)C2=C(N3c4ccc(cn4)Br)CCCC2=O)=C3N,0.0
61037,CO-ADD:0242187,-0.98,N1(C(=O)c2ccc(cc2)Cl)C(C)(O)C(C(C)=N1)CC=C,0.0
61038,CO-ADD:0245412,-0.98,n(Cc1ccc(cc1Cl)Cl)(c2c(c3\C=N\NC(=O)c(cccn4)c4)cccc2)c3,0.0
61039,CO-ADD:0244338,-0.98,C1(O)(CO)CO[C@@H](OCC2O[C@@H](OCCc(cc3O)cc(O)c3)C(O)C(O[C@H](OC4C)C(O)C(O)[C@H]4O)[C@@H]2OC(=O)\C=C\c(cc5O)cc(O)c5)C1O,0.0
61040,CO-ADD:0241140,-0.98,c1(c2ccc(cc2Cl)Cl)[nH]c3c(ccc(c3)\N=C\c(cc4)ccc4N(C)C)n1,0.0
61041,CO-ADD:0244354,-0.98,n1c(c2ccc(cc2)Br)csc1Nc(cc3)ccc3C.Br,0.0
61042,CO-ADD:0244927,-0.98,C(N(C)C1=S)C(C(=O)N2)(C(=O)NC2=S)CN1C,0.0
61043,CO-ADD:0245105,-0.98,CC(/C=C/C=C/C(NCCC(NC(C(NC(C(NC(C(NC(Cc1ccc(OC2OCC(C(C2O)O)O)cc1)C(NC(C)C(C(NC(CC(c3c(O)cc(O)cc3)=O)C(NC(C(N4CCCC4C(O)=O)=O)C)=O)=O)NC(CNC(C(NC(CNC(C(NC(N(N)CC(C)C)=O)CC(C)=O)=O)=O)CO)=O)=O)=O)=O)CC(C(O)=O)O)=O)CC(c5ccccc5)O)=O)CCCN)=O)=O)C,0.0
61044,CO-ADD:0241685,-0.98,C(C(OCC)=O)(C1c2cccc(Cl)c2)=C(c3ccccc3)OC(N)=C1C#N,0.0
61045,CO-ADD:0241929,-0.98,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNC(=O)\C=C\c2ccccc2)=O)c3cccs3,0.0
61046,CO-ADD:0242573,-0.98,S(=O)(=O)(c1ccc(cc1)OC)N2CCSC2c(ccc(c3[N+](=O)[O-])OC)c3,0.0
61047,CO-ADD:0242433,-0.98,N(C1=O)=C(N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-])NN=C1Cc3ccccc3,0.0
61048,CO-ADD:0242533,-0.98,C1(c2ccccc2Br)=N\C(\C(=O)O1)=C/c3cccc(c3)OCc4ccccc4,0.0
61049,CO-ADD:0242244,-0.98,[N+](=O)([O-])\N=C(/N)\N\N=C\c(ccc1c2cc(Cl)c(cc2[N+](=O)[O-])C)o1,0.0
61050,CO-ADD:0244486,-0.98,C(N(CC1)CCO1)(N(CC2)CCO2)c3ccccc3I,0.0
61051,CO-ADD:0240509,-0.98,o(c(c(cc1)ccc1[N+](=O)[O-])nn2)c2c(cccc3c4nnc(c(cc5)ccc5[N+](=O)[O-])o4)c3,0.0
61052,CO-ADD:0245785,-0.98,N1(c(cc2)ccc2C(=O)Nc(ccc(c3C4=O)C(N4c5ccccc5)=O)c3)C(=O)c(c6C1=O)ccc(c6)C(=O)Nc(ccc(c7C8=O)C(N8c9ccccc9)=O)c7,0.0
61053,CO-ADD:0242821,-0.98,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
61054,CO-ADD:0245428,-0.98,c1(N2CCCCC2)nc(N\N=C\c(cc3)ccc3C(C)C)nc(Nc(cc4)ccc4F)n1.Cl,0.0
61055,CO-ADD:0245678,-0.98,C(c1ccccc1)(CC(C)CN2C)(C2)OC(C)=O.Cl,0.0
61056,CO-ADD:0245062,-0.98,C(C#N)(C1c2sccc2C)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl.C(=O)O,0.0
61057,CO-ADD:0244253,-0.98,c1(ccccc1O)C(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(C)c3,0.0
61058,CO-ADD:0244453,-0.98,C1(C(C1)CCCCCCC)C(=O)Nc(cc2)ccc2N=Nc3ccccc3,0.0
61059,CO-ADD:0241981,-0.98,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2c3ccccc3OC,0.0
61060,CO-ADD:0241905,-0.98,C(C(NCC=C)=O)(NC1=O)=CC(N1)=O,0.0
61061,CO-ADD:0242064,-0.98,C(=N/NC(=O)c1cccc(Br)c1)(/S2)\C(Cl)=NS2,0.0
61062,CO-ADD:0242559,-0.98,[N+](=O)([O-])c1cccc(c1C)C(=O)Nc2ccccc2OC,0.0
61063,CO-ADD:0242552,-0.98,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c3ccccc3OC)\C1=O)=O,0.0
61064,CO-ADD:0241947,-0.99,C12(CC(CC3C1)CC(C3)C2)C(=O)N\N=C\c4ccccc4Cl,0.0
61065,CO-ADD:0244597,-0.99,N1(c2ccc(cc2)OC)C(=O)c(c3C1=O)ccc(C(=O)c(ccc(c4C5=O)C(N5c6ccc(cc6)OC)=O)c4)c3,0.0
61066,CO-ADD:0241889,-0.99,C(=C/c(ccc1c2cc(C)c(cc2[N+](=O)[O-])C)o1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
61067,CO-ADD:0241409,-0.99,N1(c(cc2)ccc2N3C(=O)CSC3c4ccccc4)C(=O)CSC1c5ccccc5,0.0
61068,CO-ADD:0244726,-0.99,n1(nnc(C(=O)N\N=C\c(cc2)ccn2)c1CN(CC)CC)c3nonc3N,0.0
61069,CO-ADD:0240616,-0.99,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
61070,CO-ADD:0242449,-0.99,S1(=O)(=O)c2c(C(N(C)\N=C\c3cc(Br)cc(OC)c3OC)=N1)ccc(c2)[N+](=O)[O-],0.0
61071,CO-ADD:0244700,-0.99,N(/NC(Cc1ccccc1)=O)=C(\C)/c2ccccc2O,0.0
61072,CO-ADD:0244297,-0.99,c1(c(Cl)ccc(Cl)c1)NC(CCCc2ccc(cc2OC)C)=O,0.0
61073,CO-ADD:0241023,-0.99,S(=O)(=O)(N(CC1)CCN1Cc2ccccc2)c3cccc(nsn4)c34,0.0
61074,CO-ADD:0241546,-0.99,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
61075,CO-ADD:0244928,-0.99,C(NC1=S)C(C(=O)N2)(C(=O)NC2=S)CN1C,0.0
61076,CO-ADD:0245031,-0.99,c1(C(NCCc2ccccc2)=O)cc(c3o1)cccc3,0.0
61077,CO-ADD:0244324,-0.99,c1(nc(ccc(c2)Cl)c2c(c3ccccc3)n1)N(C(C)=O)\N=C\c(ccc4[N+](=O)[O-])o4,0.0
61078,CO-ADD:0244409,-0.99,c1([Ge](CC)(CC)CC)c(C=O)[nH]nn1,0.0
61079,CO-ADD:0245037,-0.99,c(N1C(C)CCCC1C)(nc(N\N=C\c(cccc2[N+](=O)[O-])c2O)nc3N(c4ccccc4)c5ccccc5)n3,0.0
61080,CO-ADD:0241901,-0.99,C(=C/c1c(cccc1Cl)Cl)(/C2=O)\C(=O)NC(=S)N2,0.0
61081,CO-ADD:0241530,-0.99,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2ccccc2)n3c(cccc3)c1S(CCC)(=O)=O,0.0
61082,CO-ADD:0240544,-0.99,C(/C1=O)(\Sc(c12)cccc2)=C\N(c3cccc(C)c3)C(C)=O,0.0
61083,CO-ADD:0245359,-0.99,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)N4Cc5c(cccc5)C4,0.0
61084,CO-ADD:0240685,-0.99,[N+](=O)([O-])c1ccc(cc1)\C=N\c2ccccc2c3ccccc3,0.0
61085,CO-ADD:0240540,-0.99,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c(cc4)cc(c4[N+](=O)[O-])C)o3,0.0
61086,CO-ADD:0246124,-0.99,C(C(OCC)=O)(C1c(cccn2)c2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
61087,CO-ADD:0242534,-0.99,c1(ccc(\C=N/NC(=O)c2ccc(cc2)F)o1)c3cccc(Cl)c3Cl,0.0
61088,CO-ADD:0241460,-0.99,c1(N(CC)CC)nc(N\N=C\c(cc2)ccc2Br)nc(Nc(ccc(c3Cl)C)c3)n1,0.0
61089,CO-ADD:0241206,-0.99,N1(c2cccc(Cl)c2C)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4cccs4.C(=O)O,0.0
61090,CO-ADD:0241205,-0.99,C1(c2ccccc2)(CC1(Cl)Cl)C(=O)Nc3cccc(Br)c3,0.0
61091,CO-ADD:0244410,-0.99,c1([Ge](CC)(CC)CC)nn[nH]c1\C=N\C(C)(C)C,0.0
61092,CO-ADD:0241104,-0.99,C(=N/c1cccc(cccc2)c12)(/SC(=N3)C(C)=O)\N3c4cccc(Cl)c4,0.0
61093,CO-ADD:0245697,-0.99,S(=O)(=O)(c1ccc(cc1)C)Oc2ccccc2\C=C(\C3=O)/N=C(O3)c4ccc(cc4)C,0.0
61094,CO-ADD:0242668,-0.99,C1(C(OC)=O)=C(C)NC(NC1c2ccccc2OCC(=O)N3CCCCCC3)=S,0.0
61095,CO-ADD:0242328,-0.99,C(C#N)(C1c2ccccc2)=C(N)Oc(ccc(ccc(O)c3)c34)c14,0.0
61096,CO-ADD:0245503,-1.0,[N+](=O)([O-])c1ccccc1c2ccc(\C=N\NC(=O)c(cccn3)c3)o2,0.0
61097,CO-ADD:0241938,-1.0,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNC(=O)c2cccs2)=O)c3cccs3,0.0
61098,CO-ADD:0240697,-1.0,N(=C(/C)\c1ccccc1)/NC(COc2ccc(cc2Cl)Cl)=O,0.0
61099,CO-ADD:0240203,-1.0,c1(nc(c2n1CC(=O)N\N=C\c(ccc(c3OC)OCc4ccc(cc4Cl)Cl)c3)cccc2)c5nonc5N,0.0
61100,CO-ADD:0240792,-1.0,c(NC(=O)c1ccc(cc1)OC)(sc(c2c3ccc(cc3)OC)c(cc4)ccc4[N+](=O)[O-])n2,0.0
61101,CO-ADD:0242588,-1.0,[N+](=O)([O-])c1cccc(C(=O)NCc(cccn2)c2)c1C,0.0
61102,CO-ADD:0242595,-1.0,C(F)(F)(COC(CCC(=O)Nc1ccc(cc1F)F)=O)C(F)F,0.0
61103,CO-ADD:0240721,-1.0,[N+](=O)([O-])c(ccc(c1\C=N\c2cc(ccc2N3CCCCC3)C(F)(F)F)O)c1,0.0
61104,CO-ADD:0240823,-1.0,C(=C\c(cc1)ccc1OCc2ccccc2)/C(=O)c(ccc(c34)OCCO3)c4,0.0
61105,CO-ADD:0244229,-1.0,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
61106,CO-ADD:0244899,-1.0,C1(C2NC(=S)N1)N(c(c3)cccc3)C(=S)N2c(c4)cccc4,0.0
61107,CO-ADD:0242633,-1.0,c1(scc(c2ccc(cc2)F)n1)NC(=O)c(cccn3)c3,0.0
61108,CO-ADD:0244331,-1.0,C1(N(CC)S(=O)(=O)c2ccc(cc2)C)=C(C)N(N(c3ccccc3)C1=O)C,0.0
61109,CO-ADD:0240982,-1.0,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cccc2C(C)=O)c2)c3ccc(cc3OC)OC,0.0
61110,CO-ADD:0244156,-1.0,N(c1ncccn1)C(=O)c2ccc(cc2)Cl,0.0
61111,CO-ADD:0244206,-1.0,[N+](=O)([O-])c1ccc(cc1)COC(NCCc(c2c([nH]3)cccc2)c3)=O,0.0
61112,CO-ADD:0241865,-1.0,c1(N(C)C)nc(N\N=C\c(cc(Br)c(c2Br)O)c2O)nc(Nc(cc3)ccc3F)n1,0.0
61113,CO-ADD:0242322,-1.0,c1(c2ccco2)nc(n3c1\N=C\c(ccc4c(ccc(c5[N+](=O)[O-])Cl)c5)o4)cccc3,0.0
61114,CO-ADD:0244406,-1.0,N1(CC(NC1=S)=O)C(C)=O,0.0
61115,CO-ADD:0240334,-1.0,C(/C(=O)c1cccs1)=C(/N)\C(F)(F)F,0.0
61116,CO-ADD:0242925,-1.0,C(=N/c(ccc1c2Cc(c13)cccc3)c2)(/c4c5cccc4)\c6c5cc(C)cc6,0.0
61117,CO-ADD:0242544,-1.0,N1(c2ccccc2Cl)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
61118,CO-ADD:0244395,-1.0,c(C#N)(c1c2ccccc2)c(\N=C\c3ccc(cc3Cl)Cl)oc1c4ccccc4,0.0
61119,CO-ADD:0240780,-1.0,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c3cc(Br)cc(OC)c3O)n1,0.0
61120,CO-ADD:0244219,-1.0,C1(C(OCC)=O)=C(C)NC(NC1c2c(ccc(cccc3)c23)OCC(=O)N(CC4)CCO4)=S,0.0
61121,CO-ADD:0244718,-1.0,C(/C=C1C(C)C)(=C(/c2ccccc2)\c3cc(C(C)C)c(c(Br)c3C)O)\C(C)=C(C1=O)Br,0.0
61122,CO-ADD:0240977,-1.0,c1(Sc(c(cccc2)c2c(c3C(NCCCCOc4ccc(cc4C(C)(C)CC)C(C)(C)CC)=O)O)c3)nnnn1c5ccccc5,0.0
61123,CO-ADD:0245730,-1.0,c1(SCC(=O)NCc2ccco2)oc(c3n1)cccc3,0.0
61124,CO-ADD:0241827,-1.0,c1(N(C)C)nc(N\N=C\c(cc2)cc(c2OC(C)=O)OC)nc(NCc3ccccc3)n1,0.0
61125,CO-ADD:0244980,-1.01,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c4c(cccc4F)Cl)n1,0.0
61126,CO-ADD:0244340,-1.01,C(OC(=O)\C=C\c(cc1)ccc1O)(C(O)[C@@H]2O)[C@H](OC(CC3)CC(O)C3)OC2CO,0.0
61127,CO-ADD:0242061,-1.01,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c3ccccn3,0.0
61128,CO-ADD:0242270,-1.01,c1(N(CC2)CCO2)nc(N\N=C\c3ccc(cc3Cl)Cl)nc(Nc(ccc(c4Cl)C)c4)n1,0.0
61129,CO-ADD:0242265,-1.01,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)cc(c3OC(C)=O)OC)nc(Nc4cc(C)ccc4C)n1,0.0
61130,CO-ADD:0242695,-1.01,c(cc(cccc1)c1n2)(\C(=N\c3ccccc3)\c4c5cc(cc4)C)c25,0.0
61131,CO-ADD:0240148,-1.01,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I)N(C)c3ccccc3,0.0
61132,CO-ADD:0240116,-1.01,C(=O)(N\N=C(/C)\c1ccc(cc1)Br)C(O)(c2ccccc2)c3ccccc3,0.0
61133,CO-ADD:0242205,-1.01,c1(c2ccc(cc2)NC(C3CCCCC3)=O)sc4c(ccc(c4)NC(C5CCCCC5)=O)n1,0.0
61134,CO-ADD:0244180,-1.01,[N+](=O)([O-])c1ccc(cc1Sc2cccc(cccn3)c23)N(CC4)CCN4C,0.0
61135,CO-ADD:0244187,-1.01,n1c(ccc(cccc2O)c12)\C=N\NC(Cc3ccccc3)=O,0.0
61136,CO-ADD:0244895,-1.01,C1(C2NC(=S)N1)N(CCO)C(=O)N2,0.0
61137,CO-ADD:0244880,-1.01,C(N(CC)C(=O)N1CC)(C1N2)N=C(SC3(C(c4ccc([N+](=O)[O-])cc4)CN(C)C3(c(cc(Br)cc5)c5N6CC)C6=O)C7=O)N27,0.0
61138,CO-ADD:0241834,-1.01,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])Br)n1,0.0
61139,CO-ADD:0241815,-1.01,c1(Nc(cccc2C(F)(F)F)c2)nc(NC)nc(N\N=C\c(ccc(c34)OCO3)c4)n1.Cl,0.0
61140,CO-ADD:0241535,-1.01,C(=O)(NCc1ccccc1OC)C\C(\C)=N\NC(Cc(ccc(c2OC)OC)c2)=O,0.0
61141,CO-ADD:0244151,-1.01,c1(nnc(CCC)s1)NC(=O)c2ccc(cc2)C,0.0
61142,CO-ADD:0241950,-1.01,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNC(=O)c2cccc(Cl)c2)=O)c3cccs3,0.0
61143,CO-ADD:0245064,-1.01,C(C(OCC)=O)(C(c1ccc(cc1)Cl)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
61144,CO-ADD:0244341,-1.01,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(COc4ccc(cc4Cl)Cl)=O,0.0
61145,CO-ADD:0241236,-1.01,N1(c(ccc(c23)c4c(cccc4)o2)c3)C(=O)c(c5C1=O)ccc(c5)C(=O)OCC(=O)c6ccc(cc6)Br,0.0
61146,CO-ADD:0240266,-1.01,c1(Nc2ccccc2)nc(N\N=C\c3ccccc3OC)nc(NC)n1,0.0
61147,CO-ADD:0240840,-1.01,S(=O)(=O)(N(C)CCOc1ccccc1)c(ccc(c23)c4c(cccc4)o2)c3,0.0
61148,CO-ADD:0240232,-1.01,c12c(c3c(cccc3)c(cccc4)c14)nc(ccc5C(=O)N6CCC(CC6)C)c(c5)n2,0.0
61149,CO-ADD:0240638,-1.02,N1(\N=C\c(ccc2Br)o2)C(=O)C(C3C1=O)C(CC4)C=CC34,0.0
61150,CO-ADD:0241876,-1.02,c12c(non1)nc(Nc3ccccc3C)c(N\N=C\c(cc4)ccc4F)n2,0.0
61151,CO-ADD:0242525,-1.02,N1(c2cccc(C)c2C)C(=O)C(C3(C)C1=O)C(CC34)C=C4,0.0
61152,CO-ADD:0245353,-1.02,N1(C(=O)c2ccc(cc2)C)C(c3ccc(cc3)Br)C(CC=C4)C4c(cc(Br)cc5)c15,0.0
61153,CO-ADD:0240591,-1.02,N1(CCCC(NC(C)=O)(C(OC)=O)c2n[nH]nn2)C(=O)c3c(cccc3)C1=O,0.0
61154,CO-ADD:0244831,-1.02,C(C)N(C(=O)N1CC)C(C1N2)N3C(S\C(=C(/C4=O)\c5c(cccc5)N4CC=C)\C3=O)=N2,0.0
61155,CO-ADD:0244232,-1.02,s1c(\C=N\NC(=O)c2cccc(Cl)c2)ccc1Br,0.0
61156,CO-ADD:0244198,-1.02,c1(c2ccccc2)nc(c(cc3)ccc3NC(=O)c4ccc(cc4)Br)cc(c(cc5)ccc5NC(=O)c6ccc(cc6)Br)n1,0.0
61157,CO-ADD:0241972,-1.02,C(C#N)(C1c2ccc(cc2)Cl)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cccc4C(F)(F)F)c4,0.0
61158,CO-ADD:0245507,-1.02,n1c(c2ccc(cc2)I)csc1Nc(ccc(c3Cl)Cl)c3,0.0
61159,CO-ADD:0246048,-1.02,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3sccc3C)c4nonc4N,0.0
61160,CO-ADD:0246000,-1.02,C(=C/c(cc1Br)cc(c1O)Br)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
61161,CO-ADD:0242027,-1.02,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccccc4.O,0.0
61162,CO-ADD:0245933,-1.02,N1(C2=O)C(c3c(cccc3)CC1(C)C)=Nc4c2c(C)c(s4)C,0.0
61163,CO-ADD:0244204,-1.02,c1(c(NCCc(c2c([nH]3)cccc2)c3)ccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
61164,CO-ADD:0241534,-1.02,c1(NC(CSc2nccn2C)=O)nnc(C)s1,0.0
61165,CO-ADD:0244591,-1.02,C(Cc1ccccc1)(=O)NCC(N)=O,0.0
61166,CO-ADD:0240379,-1.02,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c(cc3)ccc3N(CCC)CCC)c4nonc4N,0.0
61167,CO-ADD:0240351,-1.02,c1(nonc1N)\C(=N\OCc2ccccc2)\Nc3ccccc3C,0.0
61168,CO-ADD:0240625,-1.02,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(c3c([nH]4)cccc3)c4)\C1=O)=O,0.0
61169,CO-ADD:0240863,-1.02,S1(=O)(=O)c(cccc2)c2C(=O)N1C(=O)c3cccc(cccc4)c34,0.0
61170,CO-ADD:0240323,-1.02,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(=O)Nc3c(C)ccc(Cl)c3,0.0
61171,CO-ADD:0240191,-1.02,C1(C(=O)N\N=C\c(ccc2[N+](=O)[O-])s2)CC1c3ccccc3,0.0
61172,CO-ADD:0240146,-1.02,C(O)(NN)(C(NN)=O)C(F)(F)C(F)F,0.0
61173,CO-ADD:0245320,-1.02,N1(c2c(C)ccc(c2)[N+](=O)[O-])C(=O)C(C3C1=O)C4CC3C=C4,0.0
61174,CO-ADD:0241333,-1.02,c1(ccc(c2c1)cccc2)C(CCC(O)=O)=O,0.0
61175,CO-ADD:0244715,-1.02,n1c(C)c(sc1SCC(=O)c(cc2)ccc2[N+](=O)[O-])CC(Cl)(Cl)Cl,0.0
61176,CO-ADD:0242724,-1.02,C(=N\c1ccccc1)(/c2c3cc(C)nc2)\c4c3ccc(c4)[N+](=O)[O-],0.0
61177,CO-ADD:0241335,-1.02,C(=O)(Nc(cccc1NC(=O)c(cc2)ccc2C(C)(C)C)c1)c3ccccc3I,0.0
61178,CO-ADD:0242816,-1.02,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2OC)cc(c2OC)OC)n3c(cccc3)c1S(CCC)(=O)=O,0.0
61179,CO-ADD:0241375,-1.02,n1(nnc(C(=O)N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-])c1CN(CC)CC)c3nonc3N,0.0
61180,CO-ADD:0245377,-1.02,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)C)CC(=O)NCc3ccco3,0.0
61182,CO-ADD:0244748,-1.02,c12c(NCCC1=O)cc(cccc3)c3c2,0.0
61183,CO-ADD:0244722,-1.02,N(/CC(O)c1ccccc1)=C\c(cc2)ccc2\C=N\CC(O)c3ccccc3,0.0
61184,CO-ADD:0244455,-1.02,C(=O)(C1(CCCCC1)C)Nc(cc2)ccc2N=Nc3ccccc3,0.0
61185,CO-ADD:0245867,-1.02,c1(OCC(=O)N\N=C\C=N\NC(COc2c(Br)cc(cc2Br)C)=O)c(Br)cc(cc1Br)C,0.0
61186,CO-ADD:0244328,-1.02,C(/CC1CC2C\C(=C\c(cc3)ccc3[N+](=O)[O-])\C1=O)(=C/c(cc4)ccc4[N+](=O)[O-])\C2=O,0.0
61187,CO-ADD:0244625,-1.02,N(/c(cc1)ccc1SCCCCCCCCCCCC)=C\c(cc2)ccc2N(C)C,0.0
61188,CO-ADD:0242610,-1.02,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(=O)CC#N,0.0
61189,CO-ADD:0242794,-1.02,n1(nnc(C(=O)N\N=C\c2c(cccc2Cl)Cl)c1CN(CC)CC)c3nonc3N,0.0
61190,CO-ADD:0244193,-1.02,C(=O)(Nc(cc1)ccc1C(O)=O)c(cc(cc2C(=O)Nc(cc3)ccc3C(O)=O)NC(=O)C(C)(C)C)c2,0.0
61191,CO-ADD:0246030,-1.03,c1(\C=N\NC(=O)CC2(C)OCCCO2)c(OCC)ccc(cccc3)c13,0.0
61192,CO-ADD:0241768,-1.03,C1(C#N)(C#N)[C@@H](c2ccccc2F)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C(C)(C)C,0.0
61193,CO-ADD:0244816,-1.03,CN(CN(C1=O)C(N23)C(N4C2=S)N1CN(C)C4)C3,0.0
61194,CO-ADD:0245378,-1.03,S(c1ccccc1)(=O)(=O)N(CC(=O)NC2CC(CC23)CC3)c4cc(C)cc(C)c4,0.0
61195,CO-ADD:0245329,-1.03,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2ccccc2O)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
61196,CO-ADD:0245540,-1.03,C(C#N)(C(c1ccc(cc1)OCC)C2=C(N3c4ccc(cn4)Br)CC(C)(C)CC2=O)=C3N,0.0
61197,CO-ADD:0245274,-1.03,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
61198,CO-ADD:0240145,-1.03,C(NCCc(cc1)ccc1Cl)(=O)C(NC)=O,0.0
61199,CO-ADD:0240137,-1.03,[C@@]1(C)(CC2)C(C[C@@H](C(C)[N+](=O)[O-])[C@@H]1\C(\C)=N\C(OCC)=O)C(C23)CC=C(C[C@H](CC4)OC(C)=O)[C@@]34C,0.0
61200,CO-ADD:0240131,-1.03,c12c(ccc(c1)NC(=O)c(cccc3C(F)(F)F)c3)c4c(cccc4)o2,0.0
61201,CO-ADD:0240110,-1.03,C(=O)(NNc1ccccc1C)C(O)(c2ccc(cc2)C)c3ccc(cc3)C,0.0
61202,CO-ADD:0242880,-1.03,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2ccccc2I)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
61203,CO-ADD:0245700,-1.03,[N+](=O)([O-])c(ccc(c1NC(=O)\C=C/C)NC(=O)\C=C/C)c1,0.0
61204,CO-ADD:0241711,-1.03,n1c(ccc(C#N)c1SCc(cc2)ccn2)c3cccs3,0.0
61205,CO-ADD:0241567,-1.03,[C@@H]1(C(=O)N\N=C\c(cc2)ccc2F)C[C@@H]1c3ccccc3,0.0
61206,CO-ADD:0245995,-1.03,C1(=O)N(Cc(cc2)ccc2Cl)c(c(c3)N1Cc(cc4)ccc4Cl)cc(c3[N+](=O)[O-])N(CC5)CCO5,0.0
61207,CO-ADD:0245878,-1.03,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)cc(c4OC(=O)c(cc5OC)cc(c5OC)OC)OC,0.0
61208,CO-ADD:0242194,-1.03,c(COc1ccc(cc1OCc(c(C)c2C)c(C)c(c2Br)C)\C=N\NC(=O)CC3(CCCCC3)O)(c(C)c4C)c(C)c(c4Br)C,0.0
61209,CO-ADD:0242928,-1.03,C(F)(F)(C(F)(F)F)\C(\Oc(ccc(c12)cccc1)c2)=C(/C(F)(F)F)\C(F)(F)F,0.0
61210,CO-ADD:0241347,-1.03,C(c1ccccc1)(=O)C(CCCCC(CN(CC2)CCO2)C(c3ccccc3)=O)CN(CC4)CCO4.Cl.Cl,0.0
61211,CO-ADD:0245386,-1.03,C(=O)(Nc1ccccc1C(F)(F)F)c2ccccc2Sc3ccccc3C#N,0.0
61212,CO-ADD:0245328,-1.03,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2)ccc2N(C)C)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
61213,CO-ADD:0244535,-1.03,C(CC(C)C)(=O)Nc(cc1)ccc1\N=C\c2cccc(OC)c2,0.0
61214,CO-ADD:0242217,-1.03,n1(Cc2ccccc2)c3c(c(CC)c1NN=Nc(cc4)ccc4Br)cccc3.Cl,0.0
61215,CO-ADD:0246044,-1.03,n1(nnc(C(=O)N\N=C\c2ccccc2Br)c1CN(CC)CC)c3nonc3N,0.0
61216,CO-ADD:0229998,-1.03,c1(cnc(c2c1O)ccc(CC)c2)C(OCC)=O,0.0
61217,CO-ADD:0230809,-1.03,C(CSCc(cc1)ccc1Br)(=O)N\N=C\c(cc2)ccc2Br,0.0
61218,CO-ADD:0223460,-1.03,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/c2ccccc2)\COC(=O)c3ccc(cc3)C)[N+](=O)[O-],0.0
61219,CO-ADD:0231966,-1.03,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(cc(Cl)cc4Br)c4O,0.0
61220,CO-ADD:0223186,-1.03,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccccc2C#N)=O)c3ccco3,0.0
61221,CO-ADD:0228515,-1.03,C(O1)(\C(\C2)=C\c3cccc(F)c3)=C(CN2C)C(C(C#N)=C1N)c4cccc(F)c4.C(=O)O,0.0
61222,CO-ADD:0223569,-1.04,C(COc(cc1)ccc1C)(=O)NCc2ccccn2,0.0
61223,CO-ADD:0232502,-1.04,c(\C=N\c(cc1)ccc1C(OCCCC)=O)(c(C)c2Cl)c(O)c(c2C)Br,0.0
61224,CO-ADD:0228277,-1.04,N(/c(cc1)ccc1Nc2ccccc2)=C\c3ccccc3,0.0
61225,CO-ADD:0235162,-1.04,c1(c(O)c(\C=N\c(ccc(c23)oc(c4ccc(cc4)C)n2)c3)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
61226,CO-ADD:0328881,-1.04,c1(SCC(NCCOC(C2)(CC(C3)CC4CC23)C4)=O)[nH]c(c(c5)n1)ccc5[N+](=O)[O-],0.0
61227,CO-ADD:0328154,-1.04,S(=O)(=O)(N(CC1)CCC1C(=O)Nc(cc2)ccc2OC)c3ccc(c4c3cccn4)OC,0.0
61228,CO-ADD:0329270,-1.04,c1(ccc(cc1NC(CCc2ccccc2)=O)Cl)C(O)=O,0.0
61229,CO-ADD:0329239,-1.04,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3C(OC)=O)n2)Cc(cc4)ccc4C,0.0
61230,CO-ADD:0329727,-1.04,N(c(cccc1)c1N2S(c3ccccc3)(=O)=O)(S(c4ccccc4)(=O)=O)C2=O,0.0
61231,CO-ADD:0328207,-1.04,S(c1ccccc1)(=O)(=O)c2cc(cc(C)c2O)NS(=O)(=O)c3ccc(cc3)Cl,0.0
61232,CO-ADD:0329853,-1.04,N1(CCC(N)=O)C(=O)C2C(C(CC23)C=C3)C1=O,0.0
61233,CO-ADD:0326474,-1.04,c12c(ccc(OC)c1C)C(C)=C(C(=O)O2)C,0.0
61234,CO-ADD:0327750,-1.04,c(c1nonc1N)(n(CC(OCC)=O)nc2c3nonc3N)n2,0.0
61235,CO-ADD:0327230,-1.04,C(=C/c1ccccc1)(/C2(C)C)\C(=O)C(O2)(C)C,0.0
61236,CO-ADD:0327574,-1.04,c1(C#N)c(C)c(Cl)c(nc1SCC)C,0.0
61237,CO-ADD:0326596,-1.04,n12c(CCCCC1)nnc2CNc3c(Cl)ccc(Cl)c3,0.0
61238,CO-ADD:0326628,-1.04,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc(cc4)ccc4OC(F)(F)F)n2,0.0
61239,CO-ADD:0326748,-1.04,C1(c2csc(\C(\C#N)=C\c3ccco3)n2)=C(C)N(N(c4ccccc4)C1=O)C,0.0
61240,CO-ADD:0319166,-1.04,N1(Cc2ccccc2Cl)c(cccc3)c3\C(=N\NC(=O)Cn(c4c(n5)cccc4)c5)\C1=O,0.0
61241,CO-ADD:0328818,-1.04,c1(n2cccc2)nnc(CCc3ccccc3)s1,0.0
61242,CO-ADD:0328738,-1.04,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)Nc(cccc2C(F)(F)F)c2)Cl)c1,0.0
61243,CO-ADD:0329576,-1.04,S(=O)(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(OCC)=O)c2ccc(c(cccc3)c23)OC,0.0
61244,CO-ADD:0329521,-1.04,C(Nc(cc1)ccc1OC(F)(F)F)(NC(CCc2ccccc2)=O)(C(F)(F)F)C(F)(F)F,0.0
61245,CO-ADD:0223204,-1.04,c1(C#N)c(C)csc1\N=C\c(ccc(c2[N+](=O)[O-])Br)c2,0.0
61246,CO-ADD:0328503,-1.04,S(NCCCC(=O)NCc1ccco1)(c2ccccc2)(=O)=O,0.0
61247,CO-ADD:0228517,-1.04,C1(C#N)(C#N)C(c2cccc(Cl)c2)C(C3)C(C(C#N)=C1N)=CCN3C(=O)OC(C)(C)C,0.0
61248,CO-ADD:0329608,-1.04,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3ccc(cc3)F,0.0
61249,CO-ADD:0223116,-1.04,c1(c(OC)cc(c(\C=N\NC(COc2ccccc2C#N)=O)c1)OC)[N+](=O)[O-],0.0
61250,CO-ADD:0223501,-1.04,c(c(C)nn1c2ccccc2)(\C=C(\C(C)=NN3c4ccc(cc4)Cl)/C3=O)c1O,0.0
61251,CO-ADD:0232031,-1.04,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cc(Cl)cc4[N+](=O)[O-])c4O,0.0
61252,CO-ADD:0230188,-1.04,S(=O)(=O)([O-])N(C)CC(O)COC(CCl)CCl.[K+],0.0
61253,CO-ADD:0230190,-1.04,C(=O)(CN(CC1)CCO1)Nc2ccccc2OC,0.0
61254,CO-ADD:0228156,-1.04,C(CNc1ccccc1OC)(=O)N\N=C\c(cc2)ccc2Cl,0.0
61255,CO-ADD:0327950,-1.04,C(C(F)(F)F)(C1=O)=NNC(=O)N1,0.0
61256,CO-ADD:0329447,-1.05,c1(c2c([nH]c1)cccc2)C(=O)C(=O)NCc3ccccc3,0.0
61257,CO-ADD:0326421,-1.05,C(C)(C)(C(=O)OC(C1(C)C)C(=O)c2ccc(cc2)F)C1=O,0.0
61258,CO-ADD:0326461,-1.05,N1(c2ccc(cc2)F)C(c3ccc(c4c3)OCO4)C(C1=O)Oc5ccccc5C,0.0
61259,CO-ADD:0319190,-1.05,c1(NC(=O)c2ccccc2OC)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
61260,CO-ADD:0320122,-1.05,C(=O)(c(cc1)ccc1C(F)(F)F)N(CC2)CCN2CC#N,0.0
61261,CO-ADD:0320449,-1.05,c1(c2c(cs1)CCCC2)C(=O)Nc3cccc(Cl)c3,0.0
61262,CO-ADD:0318792,-1.05,c1(NC(=O)c(cc2)cc(c2[N+](=O)[O-])C)sc(c(C)c1C(OC)=O)C,0.0
61263,CO-ADD:0318704,-1.05,c1(cc(oc1C)C)C(=O)Nc2cccc(cccc3)c23,0.0
61264,CO-ADD:0327360,-1.05,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)ccc3OCCOc4ccccc4)\C2=N,0.0
61265,CO-ADD:0327368,-1.05,C1(CCC(NC1c(cc2OC)cc(c2OCC)Br)=O)[N+](=O)[O-],0.0
61266,CO-ADD:0328390,-1.05,C1(=C(C#N)C(=O)CC2c3ccc(cc3)OC)N2c4c(cccc4)N1,0.0
61267,CO-ADD:0230630,-1.05,C(=N/c1ccc(cc1C)C)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
61268,CO-ADD:0228539,-1.05,n1cn[nH]c1SCC(=O)N2CCCCC2,0.0
61269,CO-ADD:0228531,-1.05,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)OC(CSc4nc(c5cccs5)cc(c6ccc(cc6)F)c4C#N)=C2C(OCC)=O,0.0
61270,CO-ADD:0228822,-1.05,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3C(C)=O,0.0
61271,CO-ADD:0228753,-1.05,C(OC)(NCCOc1ccccc1)=O,0.0
61272,CO-ADD:0228291,-1.05,N1(c2cccc(Cl)c2)C(=O)C(C3C1=O)C(C=C4)C5C(=C(c6ccccc6)CC(C5C7=O)C(N7c8cccc(Cl)c8)=O)C34,0.0
61273,CO-ADD:0223155,-1.05,N(\C(=C/c1cccc(cccc2)c12)\C(O3)=O)=C3c(ccc(c4[N+](=O)[O-])C)c4,0.0
61274,CO-ADD:0228738,-1.05,C(=C/c(cc1)ccc1[N+](=O)[O-])(/c(cccn2)c23)\c(cc(C)cc4)c34,0.0
61275,CO-ADD:0230689,-1.05,C(N(CC)CC)(=S)Oc(cc1)ccc1C(=O)Nc(cc2)ccc2Br,0.0
61276,CO-ADD:0223051,-1.05,C(=O)(C(=O)NCc1ccccc1Cl)Nc2ccccc2F,0.0
61277,CO-ADD:0230647,-1.05,c1(c2nc3c(cccc3C)n1)\C(=N/c4ccccc4)\c5c2cccc5,0.0
61278,CO-ADD:0223448,-1.05,N(/NC(Cc(cc1)ccc1OC)=O)=C(/CBr)\c2ccc(cc2)Br,0.0
61279,CO-ADD:0327817,-1.05,C(/C[C@@]([H])(C(C)(C)C1)[C@@]1([H])[C@H](CSSC[C@@H]([C@]2([H])[C@]([H])(C(C)(C)C2)C\C=C(\C)/[C@H]3O)CC3)CC4)=C(\C)/[C@H]4O,0.0
61280,CO-ADD:0329127,-1.05,C(=O)(c(cc1)ccc1C(C)(C)C)Nc(cc2)ccc2CC#N,0.0
61281,CO-ADD:0329897,-1.05,N(C(=O)\C(\S1)=C/c(cc2)ccc2O)=C1N3CCc(c4C3)cccc4,0.0
61282,CO-ADD:0329377,-1.05,c1(C(O)=O)cc(OC)c(cc1NC(=O)c2ccc(cc2)NC(CC)=O)OC,0.0
61283,CO-ADD:0326502,-1.05,C(C(OCC)=O)(C1c2ccc(Br)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
61284,CO-ADD:0319207,-1.05,c1(NC(=O)c2cccc(Cl)c2)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
61285,CO-ADD:0319388,-1.05,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/Nc(cc3)ccc3Cl,0.0
61286,CO-ADD:0318723,-1.05,[N+](=O)([O-])c(ccc(c1C(NCCc(ccc(c2OCC)OCC)c2)=O)Cl)c1,0.0
61287,CO-ADD:0318734,-1.05,N1(C(=O)c2ccco2)N3C(=NC1=S)C=C(C)C=C3,0.0
61288,CO-ADD:0326422,-1.05,C12(C(OCC)=O)C(C1(CC)C(c3ccccc3)=O)C(OC2=O)(C)C,0.0
61289,CO-ADD:0326486,-1.06,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc4sc(c5c4C#N)CCCCC5)n2,0.0
61290,CO-ADD:0327842,-1.06,C(C(N)=O)(C1(CCCCC1)C(C#N)C(=N2)N)=C2SCC(=O)Nc3sccn3,0.0
61291,CO-ADD:0327602,-1.06,N1(C(C)C(N)=O)C(=O)C(C2C1=O)C(CC23)C=C3,0.0
61292,CO-ADD:0329457,-1.06,n1(c(N)cc(c2ccccc2)n1)C3=NN=C(C(=O)N3)C,0.0
61293,CO-ADD:0326751,-1.06,n12c(ncc(C#N)c1c3cccc(C)c3)cc(c4ccc(cc4)C)n2,0.0
61294,CO-ADD:0328808,-1.06,c1(c2c(cs1)CCCC2)C(=O)N(CC3)CCN3c4ccccc4OC,0.0
61295,CO-ADD:0228300,-1.06,S(=O)(=O)(N1CCCCC1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c3cc(ccc3N(CC4)CCO4)[N+](=O)[O-],0.0
61296,CO-ADD:0223513,-1.06,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/NNc3cccc(C)c3,0.0
61297,CO-ADD:0329841,-1.06,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c(cccc4C(F)(F)F)c4)c5ccc(cc5)F,0.0
61298,CO-ADD:0329865,-1.06,c1(Cl)c(ccc(cccc2)c12)OCC(O)CN(CC3)CCO3,0.0
61299,CO-ADD:0228805,-1.06,N1(c2ccc(c(C)c2)C)N=C(\C(=C/c(cc3)ccc3[N+](=O)[O-])\C1=O)C,0.0
61300,CO-ADD:0228158,-1.06,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C(\C)/CCc2ccccc2,0.0
61301,CO-ADD:0328325,-1.06,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4OC)cc(c4OC)OC)cc(c(C)c3)C,0.0
61302,CO-ADD:0328174,-1.06,c1(c(C)c(cc(C(C)C)c1O)NC(c2ccccc2)=O)S(c3ccccc3)(=O)=O,0.0
61303,CO-ADD:0328527,-1.06,c(cc1)ccc1N(C(c(cc2)ccn2)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5)C3=S,0.0
61304,CO-ADD:0328464,-1.06,C(CC(C)=C)(C(OC)=O)(C(F)(F)F)NS(c1ccccc1)(=O)=O,0.0
61305,CO-ADD:0328768,-1.06,n1c(SC(CC)C(N)=O)snc1SC(CC)C(N)=O,0.0
61306,CO-ADD:0328832,-1.06,C(=O)(c1cccc(OC)c1)Nc(cc2)ccc2CC#N,0.0
61307,CO-ADD:0319959,-1.06,N1(c2ccccc2OC)C(CSc3ccccn3)=Nc(c4C1=O)cccc4,0.0
61308,CO-ADD:0320023,-1.06,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(cc4OCC)cc(c4O)Br,0.0
61309,CO-ADD:0318871,-1.06,C(=N/c1ccccc1)(/SC(CC2=O)C(=O)Nc3cccc(C)c3)\N2,0.0
61310,CO-ADD:0318879,-1.06,n(Cc1ccccc1)(c2C)c3c(c2C(C)=O)c(c(Cl)c(Cl)c3Cl)OCC(O)=O,0.0
61311,CO-ADD:0327392,-1.06,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(cc4)F)cc(c(C)c3)C,0.0
61312,CO-ADD:0328465,-1.06,C(C(OC)=O)(CC1=CCC(C2(C)C)CC12)(C(F)(F)F)NS(c3ccccc3)(=O)=O,0.0
61313,CO-ADD:0328809,-1.06,C(=O)(c1ccc(cc1Cl)Cl)NC(=O)Nc2cc([nH]n2)C,0.0
61314,CO-ADD:0327624,-1.06,N1(CC(=O)NC(CC2(C)C)CC(N2)(C)C)C(=O)c3c(C(c4ccccc4)=N1)cccc3,0.0
61315,CO-ADD:0235011,-1.06,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3OC(=O)c4ccc(cc4)Br)c5cccc(Cl)c5Cl,0.0
61316,CO-ADD:0230466,-1.06,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c5cccc(I)c5,0.0
61317,CO-ADD:0230808,-1.06,C(=O)(N\N=C\c1c(ccc(cccc2)c12)OCc3ccccc3)C(=O)Nc4cccc(F)c4,0.0
61318,CO-ADD:0228920,-1.06,C1(\N=C\c(cccc2OC(=O)c(c3)cc(cc3[N+](=O)[O-])[N+](=O)[O-])c2)=C(C)N(N(c4ccccc4)C1=O)C,0.0
61319,CO-ADD:0230297,-1.06,C(C(OCC)=O)(C(\C=C\c1ccccc1)N2)=C(C)NC2=O,0.0
61320,CO-ADD:0228668,-1.06,[N+](=O)([O-])c1ccc(cc1)Oc(cc2)ccc2Oc(cc3)ccc3Oc(cc4)ccc4[N+](=O)[O-],0.0
61321,CO-ADD:0230044,-1.07,[N+](=O)([O-])c1c(OC)ccc(c1)NC(C(Cl)(Cl)Cl)NC(=O)c2ccc(cc2)C,0.0
61322,CO-ADD:0230545,-1.07,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C(\C)/c(ccc(c3Cl)Cl)c3,0.0
61323,CO-ADD:0328190,-1.07,c1(c(O)c(C)c(c(NC(=O)c2ccc(cc2)Br)c1)C)S(c3ccccc3)(=O)=O,0.0
61324,CO-ADD:0223142,-1.07,c1(cc(O)ccc1NC(=O)c2ccc(cc2)Oc(cc3)ccc3C(=O)Nc4ccc(cc4C(O)=O)O)C(O)=O,0.0
61325,CO-ADD:0230314,-1.07,C(=N\N=C(\C1)/c2c(CC1)cccc2)(/SC=C3c4ccccc4)\N3,0.0
61326,CO-ADD:0230313,-1.07,C(=C/c(cc1)ccc1OC)(/c(cccn2)c23)\c(cc(C)cc4)c34.Cl,0.0
61327,CO-ADD:0320456,-1.07,c1(cc(ccc1O)CN(CC2)CCC2(c3ccccc3)C(OCC)=O)C(OC)=O,0.0
61328,CO-ADD:0318823,-1.07,c1(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])sc(c(C)c1C(OC)=O)C,0.0
61329,CO-ADD:0319975,-1.07,c1(C2c3ccccc3Cl)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
61330,CO-ADD:0329683,-1.07,S(=O)(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)C)c3c(C)ccc(C(C)C)c3,0.0
61331,CO-ADD:0329476,-1.07,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c3c(OC)ccc(Br)c3,0.0
61332,CO-ADD:0326274,-1.07,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(C45CC6CC(CC(C6)C4)C5)n1Cc7ccccc7,0.0
61333,CO-ADD:0328131,-1.07,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2)c1)Nc3ccc(c(cccn4)c34)Br,0.0
61334,CO-ADD:0328380,-1.07,N12c(c(C(C)=CC1(C)C)cc(c3C)C)c3C(=O)C2=O,0.0
61335,CO-ADD:0327632,-1.07,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCC(OC)=O)c4ccccc4,0.0
61336,CO-ADD:0327672,-1.07,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1c5ccc(cc5)C)CC,0.0
61337,CO-ADD:0329595,-1.07,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3c(Cl)cc(c(Cl)c3)OC,0.0
61338,CO-ADD:0326297,-1.07,N(C(C(C)CC)C(O)=O)C(=O)c(cc1)ccc1C(F)(F)F,0.0
61339,CO-ADD:0328195,-1.07,c1(c(O)c(C)c(c(NC(=O)c2ccc(cc2)OC)c1)C)S(=O)(=O)c3ccc(cc3)OC,0.0
61340,CO-ADD:0327852,-1.07,C1(C2)(CC(c3c(cccc3)C1=O)(CN2C)[N+](=O)[O-])[N+](=O)[O-],0.0
61341,CO-ADD:0328052,-1.07,C12(C#N)C(C1(C#N)C#N)(C(C)=O)C(OC2(OC)N)(C)OC,0.0
61342,CO-ADD:0327916,-1.07,C(c1c(cccc1)C(C23C)CCCC2)(\C(=N/O)\C(OCC)=O)=N3,0.0
61343,CO-ADD:0230641,-1.07,C(=C/c(cc1)ccc1Br)(/c(cc(C)cc2)c23)\c(cc(cccc4)c4n5)c35,0.0
61344,CO-ADD:0230823,-1.08,c1(OCCNC(CCc2ccccc2)=O)cc(C)ccc1C(C)C,0.0
61345,CO-ADD:0230894,-1.08,C(=C/c(cc1)ccc1OCCCCCCCC)(/c2c3ccc(c2)[N+](=O)[O-])\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
61346,CO-ADD:0223562,-1.08,c1(C(OCC)=O)c(cc(O)cc2)c2n(C)c1C,0.0
61347,CO-ADD:0228323,-1.08,n1(c2ccccc2)c(SCC(=O)Nc3ccccc3F)nnc1c4cccc(Br)c4,0.0
61348,CO-ADD:0230244,-1.08,C(=O)(N\N=C\c(cc1)ccc1OCCCCCCC)c(ccc(c2Br)OC)c2,0.0
61349,CO-ADD:0329682,-1.08,S(=O)(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)C)c3c(C)cc(c(C)c3)C,0.0
61350,CO-ADD:0228177,-1.08,S1(=O)(=O)c2c(C(Nc3ccccc3)=N1)ccc(c2)[N+](=O)[O-],0.0
61351,CO-ADD:0223661,-1.08,c1(Br)c(ccc(cccc2)c12)OCC(=O)N\N=C\c3cc(Br)ccc3OCCC,0.0
61352,CO-ADD:0329761,-1.08,C1(NC(C)=O)(C(F)(F)F)C(=O)N(C(=O)N1)CC(C)C,0.0
61353,CO-ADD:0327578,-1.08,N1c(cccc2)c2C(OC1c3ccc(c(OC)c3)OCC)(CC)CC,0.0
61354,CO-ADD:0326452,-1.08,c1(C(=O)C2CC2)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)cccc3,0.0
61355,CO-ADD:0326117,-1.08,N#CCN(CC1)CCN1CCC(=O)Nc(ccc(c2Br)C)c2,0.0
61356,CO-ADD:0326133,-1.08,n1(c2ccccc2)nnnc1SCC(=O)c(cc3)ccc3c4ccccc4,0.0
61357,CO-ADD:0329225,-1.08,N1(CC)C(=O)c2c(N(CC)C1=O)ccc(c2)S(=O)(=O)Nc3cc(on3)C,0.0
61358,CO-ADD:0328305,-1.08,C(C(=O)c1ccc(cc1)Cl)(C2c3cccc(O)c3)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
61359,CO-ADD:0329185,-1.08,c12c([nH]nc1c3cc(sc3C)C)OC(=C(C#N)C24c5c(NC4=O)cccc5)N,0.0
61360,CO-ADD:0328218,-1.08,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)c(C)cc(NS(c3ccccc3)(=O)=O)c2C,0.0
61361,CO-ADD:0319030,-1.08,c1(NC(COc(ccc(c23)OCO2)c3)=O)sc(c4c1C(OC)=O)CCCC4,0.0
61362,CO-ADD:0319374,-1.08,N1C(c2ccc(cc2)OCc3ccc(cc3Cl)Cl)SCC1C(O)=O,0.0
61363,CO-ADD:0321121,-1.08,c1(ccccc1NC(COc(ccc(c23)OCO2)c3)=O)C(OC)=O,0.0
61364,CO-ADD:0328119,-1.08,C1(C2)(C(C)=C\C(\C=C1C)=C(/C3)\C(\NC3(C)C)=C\C(OCC)=O)\C(\NC2(C)C)=C\C(OCC)=O,0.0
61365,CO-ADD:0328396,-1.08,n1(C)c(C)c(c(ccc(C(C=C(C)N2)=O)c23)c13)C,0.0
61366,CO-ADD:0328988,-1.08,N1(Cc(ccc(c2CN(C3=O)C)N3)c2)C(=O)c4c(cccc4)C1=O,0.0
61367,CO-ADD:0327960,-1.08,C(O)(c(cc1OC)cc(c1O)OC)(C(F)(F)F)C(F)(F)F,0.0
61368,CO-ADD:0327968,-1.08,C1(O)(C(F)(F)F)Oc(ccc(c2)C)c2NC1=O,0.0
61369,CO-ADD:0329889,-1.08,C1(CC(O)=O)=C(c2ccc(cc2)OC)CCC1=O,0.0
61370,CO-ADD:0327772,-1.08,[nH](c(ccc(c1)OC)c1c2CCNCc3c[nH]c(CCCC)n3)c2C,0.0
61371,CO-ADD:0327228,-1.08,C(F)(F)(F)c(ccc(c1NC(=O)c2ccco2)Oc3cccc(F)c3)c1,0.0
61372,CO-ADD:0327797,-1.08,c1(O)c(CN2CCOCC2)c(Oc(c(CN3CCOCC3)c(O)c(C\C=C(/C)\C)c4O)c4C5=O)c5c(C\C=C(/C)\C)c1OC,0.0
61373,CO-ADD:0329869,-1.08,S(=O)(=O)(N(CCc1ccccc1)CC(=O)Nc(ccc(c2Cl)F)c2)c3c(Cl)ccc(Cl)c3,0.0
61374,CO-ADD:0329830,-1.08,n1(cccc1)c2ccccc2C#N,0.0
61375,CO-ADD:0329873,-1.08,[N+](=O)([O-])c1c(NC)ccc(c1)C(=O)Nc(c2)c(ccc2C(F)(F)F)Oc3ccccc3F,0.0
61376,CO-ADD:0235572,-1.09,c12c(nnc(SCC(=O)Nc3nnc(SCC)s3)n1)c4c(cccc4)n2CC,0.0
61377,CO-ADD:0230665,-1.09,C(=S)(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2C)N(CC(C)C)CC(C)C,0.0
61378,CO-ADD:0223678,-1.09,c1(\C=N\NC(=O)C(C)Oc(cc2)ccc2c3ccccc3)c(cccc1Cl)Cl,0.0
61379,CO-ADD:0223098,-1.09,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(COc(ccc(c2C)C)c2)=O,0.0
61380,CO-ADD:0328395,-1.09,n1(C)c(C)c(c(ccc2c3NC(=O)C=C2C(F)(F)F)c13)C,0.0
61381,CO-ADD:0230633,-1.09,C(=N/NC(CCc1ccccc1)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
61382,CO-ADD:0230858,-1.09,C(=C\c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C(/C3)\c4c(C3)cc(OC)cc4,0.0
61383,CO-ADD:0329297,-1.09,C(O)(C(F)(F)F)(C(F)(F)F)c1c(O)cc(cc1O)O,0.0
61384,CO-ADD:0329914,-1.09,N1(c2ccccc2)C(=O)c3c(cccn3)C1=O,0.0
61385,CO-ADD:0329770,-1.09,C1(C(F)(F)F)(NC(=O)c2ccccc2F)C(=O)N(C(=O)N1)c3ccc(cc3)F,0.0
61386,CO-ADD:0327830,-1.09,c1(nc(C)cc(OC)n1)NC(=O)NC(=O)c(cc2)ccc2C(F)(F)F,0.0
61387,CO-ADD:0327910,-1.09,S(=O)(=O)(Nc(cc1)ccc1O)c(ccc(c2C(O)=O)O)c2,0.0
61388,CO-ADD:0319683,-1.09,C1(C2c(cc3)ccc3C(OC)=O)=C(CC(c(cc4)ccc4C(C)(C)C)CC1=O)Nc(c5N2C(=O)\C=C\c6ccccc6)cccc5,0.0
61389,CO-ADD:0321140,-1.09,n(CC(=O)Nc(ccc(c1C)C)c1)(c2)c3c(n2)cc(C)c(C)c3,0.0
61390,CO-ADD:0327129,-1.09,C(COc(cc1)ccc1C(C)(C)C)(NCCOc2ccccc2C)=O,0.0
61391,CO-ADD:0326006,-1.09,n1(c2ccccc2)c(SCC3CCOCO3)nnc1c4ccccc4,0.0
61392,CO-ADD:0327144,-1.09,n12c(SCC(c3ccc(cc3)C)=N1)nnc2COc4ccc(cc4Cl)Cl,0.0
61393,CO-ADD:0329887,-1.09,n1(c(CCC(O)=O)ccc1c2cccs2)c3ccccc3C(F)(F)F,0.0
61394,CO-ADD:0329032,-1.09,c1(nc(C)ccc1C#N)SC(C)(C)C(O)=O,0.0
61395,CO-ADD:0329408,-1.09,N1(c2ccc(cc2)F)CC(CC1=O)C(NCCc(ccc(c3OC)OC)c3)=O,0.0
61396,CO-ADD:0327276,-1.09,N(C(=O)\C(\S1)=C/c(cc(OCO2)c2c3)c3Br)=C1N(CC4)CCO4,0.0
61397,CO-ADD:0327701,-1.09,C(=O)(c1c(cccc1F)F)NC(=O)NNc(c(Cl)c2)ncc2C(F)(F)F,0.0
61398,CO-ADD:0230530,-1.09,C(=O)(c1ccc(cc1)OCc(cc2)ccc2Cl)N\N=C(\C)/CCCCCC,0.0
61399,CO-ADD:0223184,-1.09,c1(OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccco3)c(Br)cc(cc1Br)Br,0.0
61400,CO-ADD:0230821,-1.09,C(=O)(N\N=C\c1c(ccc(cccc2)c12)OCc3ccccc3)C(=O)Nc4ccc(cc4C)C,0.0
61401,CO-ADD:0230651,-1.09,c(cc(cccc1)c1n2)(\C(=N\NC(N)=O)\c(c34)cccc3)c24,0.0
61402,CO-ADD:0230176,-1.09,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C/c(cc2)ccc2Br,0.0
61403,CO-ADD:0223685,-1.09,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)c2ccc(cc2)OCc3cccc(OC)c3,0.0
61404,CO-ADD:0229963,-1.09,c12n(ncn1\N=C\c(cc3)c(O)cc3[N+](=O)[O-])c(nn2)SCc(cc4)ccc4[N+](=O)[O-],0.0
61405,CO-ADD:0228453,-1.1,C(=O)([O-])\C=C(\C)/C=C/c(cco1)c1.[Na+],0.0
61406,CO-ADD:0228936,-1.1,C(=N/c1ccccc1)(/c(cccn2)c23)\c(cc4C)c3cc4[N+](=O)[O-],0.0
61407,CO-ADD:0228563,-1.1,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
61408,CO-ADD:0328569,-1.1,c1(CN(CC)c2ccccc2)n(C)c3c(cccc3)c1C#N,0.0
61409,CO-ADD:0328225,-1.1,c1(c(C)c(cc(C(C)C)c1O)NS(c2ccccc2)(=O)=O)S(=O)(=O)c3ccc(cc3)OC,0.0
61410,CO-ADD:0326272,-1.1,c1(C(=O)N(C)C(N2C)=O)c2nc(n(c3C45CC6CC(CC(C6)C4)C5)c7ccc(cc7)C)n1c3,0.0
61411,CO-ADD:0326768,-1.1,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCC)c4ccc(cc4)Cl,0.0
61412,CO-ADD:0327958,-1.1,C(OC)(F)(C(F)(F)F)C(=O)Nc1ccccc1C(C)C,0.0
61413,CO-ADD:0327461,-1.1,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc4ccc(cc4Br)Br)[N+](=O)[O-])c13)cccc2,0.0
61414,CO-ADD:0328457,-1.1,n1c(N2CCCCC2)nc(nc1N3CCCCC3)NCCO,0.0
61415,CO-ADD:0326605,-1.1,N1(\N=C\c2cccs2)C(C)=NN=C(c3ccccc3)C1=O,0.0
61416,CO-ADD:0326222,-1.1,[nH]1c(cccc2)c2c(CCNC(=O)\C(\NC(c3ccccc3)=O)=C\c4ccco4)c1C,0.0
61417,CO-ADD:0329794,-1.1,[N+](=O)([O-])c(cccc1C2CC(=O)Nc(cc(OCO3)c3c4)c24)c1,0.0
61418,CO-ADD:0328508,-1.1,S1(=O)(=O)C=CC(Nc(cc2)ccc2C(OCC)=O)C1,0.0
61419,CO-ADD:0327365,-1.1,N1(c2ccc(cc2)F)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccccc4,0.0
61420,CO-ADD:0327733,-1.1,c1(C(=O)c2ccco2)cn(nc1C(OCC)=O)c3ccccc3,0.0
61421,CO-ADD:0328611,-1.1,C1(O)(CC(=O)C(C)(C)C)Oc(cccc2)c2N=C1\C=C(/O)\C(C)(C)C,0.0
61422,CO-ADD:0329341,-1.1,C(=C/c(ccc1c(cccc2C(OC)=O)c2)o1)(/C3=O)\C(=O)OC(c4ccccc4)O3,0.0
61423,CO-ADD:0228902,-1.1,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)cc(c2OC(=O)c(cc3OC)cc(c3OC)OC)OC)=C/c4cccs4,0.0
61424,CO-ADD:0228732,-1.1,c12c(cc(c3n1)cccc3)Cc(cc(C)c(C)c4)c24,0.0
61425,CO-ADD:0231986,-1.1,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Cl)cc3Br)c3O)c4cc(Cl)ccc4Cl,0.0
61426,CO-ADD:0230758,-1.1,C(Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I)(=S)Nc(ccc(c34)cccc3)c4,0.0
61427,CO-ADD:0329004,-1.1,C1(c2c(N3Cc4ccccc4F)cccc2)(NC(C(C(N5c6cccc(Cl)c6)=O)C1C5=O)CC(C)C)C3=O,0.0
61428,CO-ADD:0329328,-1.1,C1(c2ccc(cc2)NC(=O)c3ccco3)(c4ccc(cc4)NC(=O)c5ccco5)c6c(cccc6)C(c(cccc7)c17)=O,0.0
61429,CO-ADD:0230210,-1.1,C(=O)(N\N=C\c1ccccc1)c2ccc(cc2)OCCCCCCCCCC,0.0
61430,CO-ADD:0329904,-1.1,c1(c2ccco2)nnc(c(cc3)ccc3NC(=O)C(c4ccccc4)c5ccccc5)o1,0.0
61431,CO-ADD:0329957,-1.1,c(c(Cl)c1Cl)c(OCC(=O)Nc(cc2)ccc2CC#N)c(c1)Cl,0.0
61432,CO-ADD:0326283,-1.1,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc4ccccc4)C56CC7CC(CC(C7)C5)C6,0.0
61433,CO-ADD:0326772,-1.1,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc(ccc(c4OC)OC)c4)c5ccc(cc5)Cl,0.0
61434,CO-ADD:0326257,-1.1,c1(ccc(c(OCC)c1)OCC)C(CN)CC(O)=O,0.0
61435,CO-ADD:0328077,-1.1,S(=O)(=O)(c(cc1)ccc1C2CCCCC2)NC(c3ccccc3Cl)CC(OCC)=O,0.0
61436,CO-ADD:0319594,-1.1,C1(C2c(cc3)ccc3N(CCCl)CCCl)=C(CC(C)(C)CC1=O)Nc(ccc4c5cccn4)c25,0.0
61437,CO-ADD:0318810,-1.1,N(c1ccc(cn1)Br)C(COc2cccc(C)c2C)=O,0.0
61438,CO-ADD:0320481,-1.1,c1(NC(=S)NC(=O)c2ccccc2Br)sc(c3c1C(N)=O)CCCCCC3,0.0
61439,CO-ADD:0327130,-1.1,C(=O)(C(c1ccccc1)c2ccccc2)NCc3cccc(cccc4)c34,0.0
61440,CO-ADD:0327410,-1.1,c1(NC(=O)CN(CC2)CCN2C(OCC)=O)cc(on1)C,0.0
61441,CO-ADD:0326528,-1.1,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(cccn4)c4,0.0
61442,CO-ADD:0326559,-1.1,c1(c(c2cccc(Br)c2)nn3Cc(cc4)ccc4Cl)c3nc(c5cccs5)cc1C(F)(F)F,0.0
61443,CO-ADD:0326023,-1.1,S(=O)(=O)(c(cc1)ccc1C(=O)OCC(=O)c2ccc(cc2)Br)N3CCC(CC3)C,0.0
61444,CO-ADD:0326039,-1.1,C(F)(F)(F)c(cc1)ccc1C(NCCC(O)=O)=O,0.0
61445,CO-ADD:0328796,-1.11,c1(scc(C)n1)NC(=O)c2cc(C)ccc2C(O)=O.c3(scc(C)n3)NC(=O)c4ccc(cc4C(O)=O)C,0.0
61446,CO-ADD:0329462,-1.11,c12c(c3c(cccc3)C1)nc(SCC(c(cccc4)c4CC5(C)C)=N5)nc2C(F)(F)F,0.0
61447,CO-ADD:0223602,-1.11,C(C12)(C(=O)OC3=O)C3C(C4C1C(C45)C(=O)OC5=O)C=C2C,0.0
61448,CO-ADD:0223511,-1.11,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/NC,0.0
61449,CO-ADD:0230517,-1.11,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3C)c4ccccc4OC,0.0
61450,CO-ADD:0223302,-1.11,C(c1ccccc1)(=O)Oc(cc2)ccc2C(=O)c3ccc(cc3)OC(c4ccccc4)=O,0.0
61451,CO-ADD:0228027,-1.11,[N+](=O)([O-])c1ccc(cc1\C=N\NC(CNC(=O)c2ccccc2Br)=O)O,0.0
61452,CO-ADD:0228898,-1.11,C(c1ccccc1)(c2ccccc2)CC(C)NC(C)CC(c3ccccc3)c4ccccc4.Cl,0.0
61453,CO-ADD:0329442,-1.11,C(=O)(c1c(cccc1F)F)NC(NCCc(c2c([nH]3)cccc2)c3C)=O,0.0
61454,CO-ADD:0329658,-1.11,c1(cnc(C)n1CC(=O)Nc(ccc(c2Cl)OC)c2)[N+](=O)[O-],0.0
61455,CO-ADD:0330066,-1.11,c1(cc(OC)ccc1OC)C(=O)c(cc2)ccc2C(=O)Nc3ccccc3NC(=O)c(cc4)ccc4C(F)(F)F,0.0
61456,CO-ADD:0235590,-1.11,c1(cc(Cl)cc(Cl)c1OCC(=O)N\N=C\c2c(cccc2Cl)Cl)[N+](=O)[O-],0.0
61457,CO-ADD:0329376,-1.11,c1(C(O)=O)cc(OC)c(cc1NC(=O)c2cc(OC)cc(OC)c2)OC,0.0
61458,CO-ADD:0228191,-1.11,C(=O)(Nc1cccc(Cl)c1)N(CC2)CCN2CCO.Cl,0.0
61459,CO-ADD:0327305,-1.11,C1(=S)N(CCC(C)C)NC(C)(CC)N1,0.0
61460,CO-ADD:0327769,-1.11,[nH](c(ccc(c1)OC)c1c2CCNCc3cccc(cccc4)c34)c2C,0.0
61461,CO-ADD:0228468,-1.11,N1(c2ccc(cc2O)C)C(=O)c(c(cc(c3C4=O)C(N4c5ccc(cc5O)C)=O)C1=O)c3,0.0
61462,CO-ADD:0328640,-1.11,c(C(OC)=O)(sc(c12)cc(cc1[N+](=O)[O-])[N+](=O)[O-])c2O,0.0
61463,CO-ADD:0326320,-1.11,c12c(C(C=CN1C)=O)c(nc3c2non3)\C=C\N(C)C,0.0
61464,CO-ADD:0329819,-1.11,n12c(SCC(c3ccc(cc3)OC([H])(F)F)=N1)nnc2COc4ccc(cc4Cl)Cl,0.0
61465,CO-ADD:0327414,-1.11,C(=N\OCc1ccccc1C)(/C(C)=N2)\C(C)=Nc(c23)cccc3,0.0
61466,CO-ADD:0325995,-1.11,c12c(n(c(N(Cc(ccc(c3[N+](=O)[O-])OC)c3)\N=C\c4cccc(cccc5)c45)n1)C)C(N(C)C(=O)N2C)=O,0.0
61467,CO-ADD:0319051,-1.11,C1(C)(C(C)(C)O)NCCc(cccc2)c12,0.0
61468,CO-ADD:0318826,-1.11,N1(C(CCC(O)=O)=O)C(c2ccccc2Cl)CC(c3ccc(cc3)Br)=N1,0.0
61469,CO-ADD:0318840,-1.12,C(C(=O)c1ccc(cc1)Cl)(C2c3cccc(OC)c3)=C(O)C(N2Cc(cccn4)c4)=O,0.0
61470,CO-ADD:0326160,-1.12,C(C(OCC)=O)(C1c2ccccc2)=C(O)C(N1c3ccccc3)=O,0.0
61471,CO-ADD:0326024,-1.12,n1(c2ccccc2)nnnc1SCc3cc(Cl)cc(COCO4)c34,0.0
61472,CO-ADD:0326431,-1.12,C1(C)(CC(=O)c2ccc(cc2)Cl)C(=O)OC(C(CC)(CC)C1=O)c3ccc(cc3)Br,0.0
61473,CO-ADD:0328717,-1.12,N1(c(cc2)ccc2[N+](=O)[O-])C(c3ccc(cc3)OC)N4N(CCC4)C1=S,0.0
61474,CO-ADD:0232207,-1.12,c1(oc(c2n1)ccc(Cl)c2)c3cc(ccc3Cl)\N=C\c4c(O)c(OC)cc(Br)c4Br,0.0
61475,CO-ADD:0223695,-1.12,C(COc1c(C)ccc(C(C)C)c1)(=O)N\N=C\c2cccc(Cl)c2,0.0
61476,CO-ADD:0230540,-1.12,C(=O)(c1ccc(cc1)COc(cc2)ccc2C)Nc(cc3)ccc3C,0.0
61477,CO-ADD:0328244,-1.12,S(=O)(=O)(c1ccc(cc1)Cl)c2c(O)cc(c(c2C)NS(c3ccccc3)(=O)=O)C,0.0
61478,CO-ADD:0228727,-1.12,n1c2c([nH]c1c(cc3)ccn3)ccc(c2)\N=C\c(cc4)ccc4OC,0.0
61479,CO-ADD:0328284,-1.12,S(=O)(=O)(Nc(cc1)ccc1CC(O)=O)c2ccc(c(cccc3)c23)OCC,0.0
61480,CO-ADD:0230451,-1.12,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)Nc(cc2)ccc2Oc(cc3)ccc3NS(=O)(=O)c(cc4)ccc4C(C)(C)C,0.0
61481,CO-ADD:0230100,-1.12,C(=O)(N\N=C\c(cc1)ccc1OCCCC)c2ccc(cc2)C,0.0
61482,CO-ADD:0230861,-1.12,C(=O)(N\N=C\c(ccc1c2ccc(OC)c1)c2)c3ccc(cc3)F,0.0
61483,CO-ADD:0228119,-1.12,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(ccc(c34)cccc3)c4,0.0
61484,CO-ADD:0230179,-1.12,C(=O)(N1CCCCC1)c2ccccc2NC(c3ccccc3)=O,0.0
61485,CO-ADD:0230476,-1.12,c1(N2CCCC2)nc(N\N=C\c3c(O)ccc(cccc4)c34)nc(Nc(cc5)ccc5[N+](=O)[O-])n1,0.0
61486,CO-ADD:0329851,-1.12,C1(O2)=C(C(C(C#N)=C2N)c3ccccc3)C(NC(SCc4ccccc4)=N1)=O,0.0
61487,CO-ADD:0327309,-1.12,N1(CN(CC2)CCC2C(OCC)=O)C(=S)OC(c3ccccc3Cl)=N1,0.0
61488,CO-ADD:0328901,-1.12,C(=C/c(cn(n1)C(C)=O)c1c2ccc(cc2)F)(/C(=O)NN3c4ccccc4)\C3=O,0.0
61489,CO-ADD:0328366,-1.12,S(=O)(=O)(c(cccc1C(=O)Nc(cccc2[N+](=O)[O-])c2)c1)NCc(ccc3C(OCC)=O)o3,0.0
61490,CO-ADD:0328134,-1.12,S(=O)(=O)(c(cc1)ccc1C(=O)N(CC2)CCN2C34CC5CC(CC(C5)C3)C4)N6CCCCC6,0.0
61491,CO-ADD:0326372,-1.12,c(cc(c1)C(N2C)=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S)cn1,0.0
61492,CO-ADD:0325973,-1.12,C1(CC(OC12CCCCC2)=O)C(=O)Nc(cc3)c(C)cc3[N+](=O)[O-],0.0
61493,CO-ADD:0329577,-1.12,[N+](=O)([O-])c(cccc1C(CC(OCC)=O)NC(=O)c2cccc(Cl)c2)c1,0.0
61494,CO-ADD:0326348,-1.12,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3c(cccc3F)F)N4CCCCCC4)[N+](=O)[O-],0.0
61495,CO-ADD:0326356,-1.12,C(O)(C1CCN2CC1)(C2)c3ccc(cc3C)C.Cl,0.0
61496,CO-ADD:0328934,-1.12,C1(=O)N(C)c(c2N1CC(=O)Nc(cc3)ccc3OC(F)(F)Cl)cccc2,0.0
61497,CO-ADD:0320113,-1.12,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc2ccccc2OCCCC,0.0
61498,CO-ADD:0320650,-1.12,n1(CC(=O)N(Cc2ccccc2)C3(CCCCC3)C(=O)Nc4ccccc4C)nnnc1N,0.0
61499,CO-ADD:0321176,-1.12,C(=C(\F)/SCC(C)=O)(/C(F)(F)F)\C(F)(F)F,0.0
61500,CO-ADD:0319411,-1.12,C1(=Cc(c2OC1c(ccc(c34)OCO3)c4)cc(cc2OC)Br)[N+](=O)[O-],0.0
61501,CO-ADD:0326088,-1.12,c1(c2ccc(cc2Cl)Cl)nnc(c(cc3)ccn3)o1,0.0
61502,CO-ADD:0326513,-1.12,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4cccc(OC)c4,0.0
61503,CO-ADD:0326569,-1.12,C(Nc(cccc1C(F)(F)F)c1)(C(OC)=O)(C(F)(F)F)NC(=O)Nc(cc2)ccc2OC(F)(F)F,0.0
61504,CO-ADD:0329812,-1.12,c(c(CCCC1)c(c2C(=S)Nc3cccc(C)c3)c4ccc(cc4)Cl)(n15)n2cc5c6ccccc6,0.0
61505,CO-ADD:0329621,-1.12,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3ccc(cc3)F,0.0
61506,CO-ADD:0330053,-1.12,N1(C(c2ccc(cc2)OC)C#N)C(c3ccccc3)CC(c4ccc(cc4)OC)=N1,0.0
61507,CO-ADD:0329662,-1.13,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)(=O)(=O)c3cc(C)ccc3OC,0.0
61508,CO-ADD:0330006,-1.13,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)F)n3c(cc(cc3)CC)c1S(CCC)(=O)=O,0.0
61509,CO-ADD:0230518,-1.13,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(ccc(c2OCC)OCc3ccccc3)c2,0.0
61510,CO-ADD:0223719,-1.13,c1(ccc(cc1OC)OC)C(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
61511,CO-ADD:0223529,-1.13,[N+](=O)([O-])c(cc1)cc(c1C(=O)NCc2ccccc2OC)Cl,0.0
61512,CO-ADD:0329140,-1.13,C12=C(CC(CC1=O)c(cc3OC)cc(c3OC)OC)Nc(c4NC2c5cc6c(cc5Cl)OCO6)cccc4,0.0
61513,CO-ADD:0228910,-1.13,O1C(=O)c2c(cc(cc2)Oc(cc3)ccc3NC(=O)c4ccc(cc4)Oc(cc5)ccc5C(=O)Nc(cc6)ccc6Oc(ccc(c7C8=O)C(O8)=O)c7)C1=O,0.0
61514,CO-ADD:0228883,-1.13,c1(c(cccc1)c(c23)cccc2)C3C(=O)N\N=C\c4cccn4c(cc5)ccc5[N+](=O)[O-],0.0
61515,CO-ADD:0327949,-1.13,C(OCC)(F)(C(F)(F)F)C(=O)Nc1cccc(Cl)c1,0.0
61516,CO-ADD:0327990,-1.13,C1(\C(\C)=N\c2ccccc2)=C(O)C=C(c3ccccc3)CC1c4ccc(cc4)Br,0.0
61517,CO-ADD:0228946,-1.13,c1(OC)cc(ccc1O)\C=N\Cc2ccco2,0.0
61518,CO-ADD:0328691,-1.13,S(=O)(=O)(NCc(ccc1C(OCC)=O)o1)c(ccc(c2C(=O)Nc3ccccc3)Cl)c2,0.0
61519,CO-ADD:0228290,-1.13,N12C(=NCC1)S\C(=C\c(ccc(c3OCC)O)c3)\C2=O,0.0
61520,CO-ADD:0228834,-1.13,n1(c2c(n3)cccc2)c3c(c(C)c(\C=N\CCCCCC\N=C\c(c(C)c(C#N)c4n5c6c(n4)cccc6)c5O)c1O)C#N,0.0
61521,CO-ADD:0328707,-1.13,S(=O)(=O)(Oc(cc1)ccc1F)NC(NCCc(c2c([nH]3)cccc2)c3C)=O,0.0
61522,CO-ADD:0228199,-1.13,S(=O)(=O)(c(cccc1C(=O)Nc(c(C)ccc2[N+](=O)[O-])c2)c1)N3CCCCC3,0.0
61523,CO-ADD:0230092,-1.13,N1(CNc2cccc(cccc3)c23)C(=O)CCC1=O,0.0
61524,CO-ADD:0327341,-1.13,N1(c(cc2)ccc2C(C)C)C(=O)CSC13CCC(CC3)C(C)(C)C,0.0
61525,CO-ADD:0327187,-1.13,c12c(CCNC1c3ccc(c(Cl)c3)O)cc(c(OCC)c2)OCC.Cl,0.0
61526,CO-ADD:0326384,-1.13,C(=O)(NC(=O)N(CC)CC)c1c(Cl)cc(nc1Cl)Cl,0.0
61527,CO-ADD:0319400,-1.13,C1(=CC(OC12CCCCC2)=O)N3CCCCC3c(cccn4)c4,0.0
61528,CO-ADD:0321106,-1.13,C(COc1cccc(C)c1C)(=O)Nc(cccn2)c2,0.0
61529,CO-ADD:0326025,-1.13,C(=S)(NC1CCCCC1)NNC(CSCc2ccccc2Cl)=O,0.0
61530,CO-ADD:0326370,-1.13,S(=O)(=O)(c(cccc1S(=O)(=O)c2ccc(c(Cl)c2)Cl)c1)N3CCCCCC3,0.0
61531,CO-ADD:0327477,-1.13,[N+](=O)([O-])c(cc1)cc(c1c2cc(O3)c(cc2OC(c4ccccc4)=O)SC3=O)Cl,0.0
61532,CO-ADD:0330061,-1.13,c1(C(N)=O)oc(c2c1NC(CCCCCN3C(=O)c4c(cccc4)C3=O)=O)cccc2,0.0
61533,CO-ADD:0329606,-1.13,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3ccc(cc3)OCC,0.0
61534,CO-ADD:0329422,-1.13,C12(CC3CC(CC(C3)C1)C2)C(=O)N(CC4)CCN4c5ccc(cc5)C,0.0
61535,CO-ADD:0329991,-1.13,C1(C(F)(F)F)(C(F)(F)F)N=C(c(cccn2)c2)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
61536,CO-ADD:0228379,-1.13,C1(=Cc2c(OC1=O)ccc(Br)c2)c3csc(Nc4ccccc4C)n3,0.0
61537,CO-ADD:0327917,-1.13,n1c(N2CCCCC2)nc(nc1N(CC3)CCO3)Cl,0.0
61538,CO-ADD:0329733,-1.13,S(=O)(=O)(c1ccc(c(C)c1)OC)N(CC2)CCN2c3ccc(c(Cl)c3)C,0.0
61539,CO-ADD:0326010,-1.13,S(=O)(=O)(Nc(cc1)ccc1OCC)c2ccc(c(C)c2Cl)Cl,0.0
61540,CO-ADD:0230143,-1.13,c1(NC(CCC(=O)OC(CC2)CCC2C(C)(C)C)=O)sc(c3n1)cccc3,0.0
61541,CO-ADD:0223634,-1.13,C(=O)(c1cccc(I)c1)Nc(ccc(c2Cl)Cl)c2,0.0
61542,CO-ADD:0228911,-1.14,N1(c(cccc2C(=O)c(cccc3N4C(=O)c(c(c5)C4=O)ccc5S(=O)(=O)c(cc6)ccc6C(O)=O)c3)c2)C(=O)c(c(c7)C1=O)ccc7S(=O)(=O)c(cc8)ccc8C(O)=O,0.0
61543,CO-ADD:0228904,-1.14,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)ccc4OCc5ccccc5,0.0
61544,CO-ADD:0228125,-1.14,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(=O)Cc3ccc(c(cccc4)c34)Br,0.0
61545,CO-ADD:0230053,-1.14,N1(c(cc2)ccc2C(OCC)=O)C(=O)c3c(cc(cc3)N)C1=O,0.0
61546,CO-ADD:0328526,-1.14,C(NC(C)=O)(C(OC)=O)(c1ccco1)C(F)(F)F,0.0
61547,CO-ADD:0328282,-1.14,S(=O)(=O)(c1ccc(cc1)OCC)Nc(cc2)ccc2CC(O)=O,0.0
61548,CO-ADD:0328419,-1.14,N1(Cc2ccccc2)C(=O)NC(\C(=C\c3c4c([nH]c3C)cccc4)\C1=O)=O,0.0
61549,CO-ADD:0326587,-1.14,C1(=CS\C(=N\NC(=O)Nc2ccccc2)\N1CC=C)c3cc(Br)c(cc3OC)OC,0.0
61550,CO-ADD:0327302,-1.14,N(Cc1ccccc1)(C(=O)C(C23)C(c4cccc(OC)c4O)NC2(C(O)=O)Cc(c5c([nH]6)cccc5)c6)C3=O,0.0
61551,CO-ADD:0327767,-1.14,N12C(SC(C(F)(F)F)=N1)=NC(=O)\C(=C\c(c(cccc3)c3n4Cc5cccc(C)c5)c4)\C2=N,0.0
61552,CO-ADD:0327575,-1.14,S(=O)(=O)(NC(NCCCC)=O)c1c(OC)cc(nc1Cl)C,0.0
61553,CO-ADD:0328144,-1.14,S(=O)(=O)(c(cccc1C(=O)Nc2sc(c3c2C#N)CC(CC3)C)c1)N(CC4)CCN4c5ccc(cc5)F,0.0
61554,CO-ADD:0328097,-1.14,C(=O)(Nc1cc(on1)C)C(C2CCCC2)C(OC)=O,0.0
61555,CO-ADD:0328905,-1.14,n1(CC=C)c(SCC(=O)Nc(ccc(c23)OCCO2)c3)nnc1c4ccco4,0.0
61556,CO-ADD:0327426,-1.14,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c(cc3)ccc3C(F)(F)F,0.0
61557,CO-ADD:0326661,-1.14,c1(C(c2ccccc2)=O)oc(c3c1NC(Cc(ccc(c4OCC)OCC)c4)=O)cccc3,0.0
61558,CO-ADD:0328418,-1.14,c12c(c(C)cc3c1c(C)c([nH]3)C)ncc(C(OCC)=O)c2O,0.0
61559,CO-ADD:0230685,-1.14,c(\C=N\NC(COc1ccc(cc1Br)Cl)=O)(cc(Br)cc2Br)c2OC,0.0
61560,CO-ADD:0223724,-1.14,c1(csc(\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c1)[N+](=O)[O-],0.0
61561,CO-ADD:0228247,-1.14,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(ccc3c4ccc(cc4)Br)o3,0.0
61562,CO-ADD:0228221,-1.14,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN4CCCCC4,0.0
61563,CO-ADD:0327301,-1.14,n1(c2ccccc2C)nnnc1C3(CCCCC3)NCCc(c4c([nH]5)cccc4)c5C,0.0
61564,CO-ADD:0228338,-1.14,n1c(N)[nH]nc1c2ccc(cc2)OC,0.0
61565,CO-ADD:0228647,-1.14,n1(nnc(C)c1C(=O)N\N=C\c(cc2)ccc2C#N)c3nonc3N,0.0
61566,CO-ADD:0327205,-1.14,n1(c2c(C)cccc2C)nnnc1C(NCCc(c3c([nH]4)cccc3)c4C)c5ccc(cc5)Cl,0.0
61567,CO-ADD:0232456,-1.14,c1(c(O)c(\C=N\c(cc2)cc(c2c3oc(c4n3)cccc4)O)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
61568,CO-ADD:0230566,-1.14,C(c1ccccc1)(c2ccccc2)(c3ccccc3)NC(=O)Nc(cc4)ccc4OCCCCCCCCCC,0.0
61569,CO-ADD:0230549,-1.14,N1(c2cccc(Cl)c2)C(=O)C(=CC1=O)SCC(O)=O,0.0
61570,CO-ADD:0230194,-1.14,[N+](=O)([O-])c1ccccc1COc2ccccc2\C=N\NC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
61571,CO-ADD:0230182,-1.14,c1(NC(CCC(O)=O)=O)sc(c2n1)CCCC2,0.0
61572,CO-ADD:0228120,-1.14,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c3ccc(cc3O)C,0.0
61573,CO-ADD:0235660,-1.14,c1(c(ccc(c1)[N+](=O)[O-])N\N=C\c2cc(sc2SCC)CC)[N+](=O)[O-],0.0
61574,CO-ADD:0328931,-1.15,c(NC(=O)Cn1nnc(c2ccccc2)n1)(c(C(N)=O)nn3c4ccccc4)n3,0.0
61575,CO-ADD:0319001,-1.15,c1(ccc(cc1Cl)Cl)C(=O)NCc2cccc(cccc3)c23,0.0
61576,CO-ADD:0319017,-1.15,c12c(n(c(N(CC3)CCO3)n1)CC\N=C\N(CC4)CCO4)C(N(C)C(=O)N2C)=O,0.0
61577,CO-ADD:0319385,-1.15,c1(N(CC2)CCN2C(c3ccccc3)=O)scc(c(cc4)ccc4[N+](=O)[O-])n1,0.0
61578,CO-ADD:0318859,-1.15,c(c1c(cc2)ccn2)(C3c4ccc(c(F)c4)F)c([nH]n1)OC(N)=C3C#N,0.0
61579,CO-ADD:0325959,-1.15,C(NCCOC(CC1CC2CC3C1)(C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccc(cc4Cl)Cl,0.0
61580,CO-ADD:0327442,-1.15,C(=O)(c(cccc1C(=O)N(C)Cc(cc2)ccc2OC)c1)N(C)Cc(cc3)ccc3OC,0.0
61581,CO-ADD:0326450,-1.15,c1(NC(=O)CN2CCCCC2)cc(on1)C,0.0
61582,CO-ADD:0328003,-1.15,C(F)(F)(F)Oc(cc1)ccc1NC(=O)CN(CC2)CCN2CC#N,0.0
61583,CO-ADD:0328035,-1.15,[nH](c(ccc(c1)OC)c1c2CCNCc(cccc3C(F)(F)F)c3)c2C,0.0
61584,CO-ADD:0326132,-1.15,S(c1ccccc1)(=O)(=O)N2CCCC2C(=O)Nc3ccc(cn3)Br,0.0
61585,CO-ADD:0223482,-1.15,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3I,0.0
61586,CO-ADD:0228689,-1.15,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(c3c2)OCO3,0.0
61587,CO-ADD:0230347,-1.15,C(C(c1ccc(cc1)Br)Nc(ccc(c2C)C)c2)C(=O)c3ccc(cc3)Cl,0.0
61588,CO-ADD:0230628,-1.15,N1(c2cccc(OC)c2)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
61589,CO-ADD:0228879,-1.15,c1(NC(CCCCCCCCCCC)=O)sc(c2c1C#N)CCC2,0.0
61590,CO-ADD:0223640,-1.15,C(=O)(N\N=C\c1ccc(Br)s1)C(C)Oc2cccc(cccc3)c23,0.0
61591,CO-ADD:0223548,-1.15,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)Nc3ccccc3OC,0.0
61592,CO-ADD:0223652,-1.15,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c2ccccc2Cl,0.0
61593,CO-ADD:0228415,-1.15,N1(c2ccc(cc2)Cl)C(=O)C3C(C(C=C4)C5C(=C(c6ccccc6)CC(C5C7=O)C(N7c8ccc(cc8)Cl)=O)C34)C1=O,0.0
61594,CO-ADD:0228344,-1.15,[N+](=O)([O-])c1ccc(cc1)Sc(cc2)ccc2NC(CCC(O)=O)=O,0.0
61595,CO-ADD:0230380,-1.15,c1(c(C)cc(cc1C)C)NC(CSc2cccc(ccc(C)n3)c23)=O,0.0
61596,CO-ADD:0230479,-1.15,C(F)(F)(C(F)(F)F)C(F)(F)C(=O)NC(CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)[O-].[Na+],0.0
61597,CO-ADD:0228560,-1.15,c1(C#N)c(N)nc(c2c1c(ccc(c34)OCO3)c4)CCCC2,0.0
61598,CO-ADD:0230831,-1.15,c12c(ccc(c1)NC(CC(C3)CC3)=O)c4c(cccc4)o2,0.0
61599,CO-ADD:0230021,-1.15,S1(=O)(=O)c2c(C(NC(C)(C)CC(C)(C)C)=N1)ccc(c2)[N+](=O)[O-],0.0
61600,CO-ADD:0230089,-1.15,B1(c2ccccc2)OC(C)CC(P(c3ccccc3)c4ccccc4)O1,0.0
61601,CO-ADD:0228470,-1.15,C(CO)(CO1)(C2C)C(C)C(C(C)=C2)C1c3ccccc3O,0.0
61602,CO-ADD:0325952,-1.15,N1(CCC(CCOC2(C)C)(Cc3ccccc3)C2)C(=O)CCC1=O,0.0
61603,CO-ADD:0327475,-1.15,C(Nc1cccc(C)c1)(C(=O)c(cccc2)c2C3=O)=C3N(CC4)CCO4,0.0
61604,CO-ADD:0327686,-1.15,N1(CC)\C(=N/CC)\S\C(=C\c2sccc2C)\C1=O,0.0
61605,CO-ADD:0326012,-1.15,c(c1c(s2)CCC1)(C3=O)c2N=C(SCC(=O)NC4CCCCC4)N3c5ccccc5,0.0
61606,CO-ADD:0326204,-1.15,C1(OC(c2ccccc2)=O)=C(C)C(OC(c3ccc(cc3)Br)C1(C)C)=O,0.0
61607,CO-ADD:0319947,-1.15,c1(C2c3ccc(c(OCC)c3)OCC)c([nH]nc1c4ccc(c(OC)c4)OCC)OC(N)=C2C#N,0.0
61608,CO-ADD:0327272,-1.15,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4\C(=N\c(cc5)ccc5OC(F)(F)F)\C1=O,0.0
61609,CO-ADD:0327729,-1.15,c1(cccc2c1oc(n2)C)C(=O)Oc3cc(C)ccc3C(C)=O,0.0
61610,CO-ADD:0326172,-1.15,C1(C(F)(F)F)(C(F)(F)F)NC(=O)N(C2=N1)C=C(C)S2,0.0
61611,CO-ADD:0327386,-1.16,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c(cccc5[N+](=O)[O-])c5)cccc4,0.0
61612,CO-ADD:0228632,-1.16,C(CN1CN2CN3C1)(C3)(C2)\C(\c4ccccc4)=N/c(cc5)ccc5Cl,0.0
61613,CO-ADD:0223194,-1.16,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(CNc2ccccc2C)=O,0.0
61614,CO-ADD:0228572,-1.16,N1(c2ccccc2Cl)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
61615,CO-ADD:0228543,-1.16,S(=O)(=O)(c1ccc(cc1)C)N(CCN2C(=O)CN3CCCCC3)C2,0.0
61616,CO-ADD:0328534,-1.16,N1(Cc2ccccc2)C(=O)C(Cc(ccc(c3OC)O)c3)C(NC1=O)=O,0.0
61617,CO-ADD:0228400,-1.16,[N+](=O)([O-])c(ccc(c1\C=N\c(ccc(c23)c4c(cccc4)o2)c3)N(CCCC5C(=O)N(CC)CC)C5)c1,0.0
61618,CO-ADD:0223598,-1.16,c1(cc(ccc1NC2OCC(C(O)C2O)O)C(O)=O)[N+](=O)[O-],0.0
61619,CO-ADD:0223713,-1.16,c1(cc(\C=N\NC(COc(cc2)ccc2Cl)=O)cc(OC)c1O)[N+](=O)[O-],0.0
61620,CO-ADD:0326875,-1.16,n1(n2)c(nc(cc1C(F)(F)Cl)c3ccco3)cc2C(=O)N4C(C)CCc(cc(F)cc5)c45,0.0
61621,CO-ADD:0328823,-1.16,c12c(nnc(SCc(ccc(c3n4)no4)c3)n1)c5c(cccc5)n2CCc6ccccc6,0.0
61622,CO-ADD:0329688,-1.16,[N+](=O)([O-])c1c(OC)ccc(c1)C(=O)Nc2cc(OC)c(cc2C(O)=O)OC,0.0
61623,CO-ADD:0329166,-1.16,C(C(O)=O)(=CN1CC)C(=O)c(c12)cnc(N(CC3)CCN3C(=S)Nc4ccccc4C(F)(F)F)n2,0.0
61624,CO-ADD:0328350,-1.16,c1(NC(C)=O)nonc1\C(=N\OCc2ccccc2F)\NC(C)=O,0.0
61625,CO-ADD:0326385,-1.16,c1(c(Cl)c(Cl)c(nc1Cl)Cl)C(=O)Nc2c(OC)ccc(OC)c2,0.0
61626,CO-ADD:0325993,-1.16,C(F)(F)(F)c1cccc(c1)NCc2ccccc2O,0.0
61627,CO-ADD:0326675,-1.16,C1(=O)Nc(ccc(c2)C)c2Oc(cc(cc3Oc(cc4)ccc4Cl)[N+](=O)[O-])c13,0.0
61628,CO-ADD:0326812,-1.16,C(C(=O)c1ccc(cc1)F)(C2c3ccc(cc3)Cl)=C(O)C(N2Cc(cccn4)c4)=O,0.0
61629,CO-ADD:0326836,-1.16,c1(c2c([nH]c1)cccc2)C(OC(C)CN3C(=O)c(ccc(c45)OCO4)c5)O3,0.0
61630,CO-ADD:0326868,-1.16,n1(c2c(nn1)cccc2)c3cc(C#N)c(cc3Oc(cc4)ccc4F)C#N,0.0
61631,CO-ADD:0319402,-1.16,C(NC)(=S)NNC(COc1ccccc1)=O,0.0
61632,CO-ADD:0319142,-1.16,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1Cl)N2CCCCC2c(cccn3)c3,0.0
61633,CO-ADD:0318813,-1.16,c1(NC(COc(cc2)ccc2[N+](=O)[O-])=O)sc(c3c1C(OC)=O)CCCC3,0.0
61634,CO-ADD:0320584,-1.16,c1(C(CCl)O)[nH]c(c2n1)cccc2,0.0
61635,CO-ADD:0327322,-1.16,C(OC1)(OCC1(C)[N+](=O)[O-])(c2c(N3CN(CC4)CCO4)cccc2)C3=O,0.0
61636,CO-ADD:0328770,-1.16,c12c(ccc(OC)c1I)C(C)=C(C(=O)O2)C,0.0
61637,CO-ADD:0327266,-1.17,n1(c2c(C)cccc2C)nnnc1C3(CCCCC3)NCCc(c4C)c(ccc(c5Cl)Cl)c5[nH]4,0.0
61638,CO-ADD:0327715,-1.17,N12C(SC=C1N)=NC(=O)C(C)=N2,0.0
61639,CO-ADD:0328438,-1.17,c1(C2C#N)n(c3c(cccc3)n1)[C@@H](C[C@]24O)[C@H](O[C@H]45)CO5,0.0
61640,CO-ADD:0223063,-1.17,C(=O)(NC1CCCCCC1)Nc(cc2)ccc2OCCCCCCCCCC,0.0
61641,CO-ADD:0235930,-1.17,C(C#N)(C1c2ccccc2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
61642,CO-ADD:0328734,-1.17,C12=C(CN(CCN(CC3)CCN3)CN1)C(N(C)C(=O)N2C)=O,0.0
61643,CO-ADD:0232238,-1.17,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c4cc(C)ccc4O,0.0
61644,CO-ADD:0331188,-1.17,n1(CC(C)C)c2c(nc1COc(ccc(c34)cccc3)c4)cccc2,0.0
61646,CO-ADD:0222950,-1.17,C(=C\c(cc1)ccc1N(C)C)/C(=O)c2ccc(cc2)NC(C)=O,0.0
61647,CO-ADD:0332284,-1.17,c1(cc(ccc1N(CC2)CCN2c(c(Cl)c3)ncc3C(F)(F)F)NC(=O)NC(=O)c(cccc4C(F)(F)F)c4)C(F)(F)F,0.0
61648,CO-ADD:0222916,-1.17,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc2ccc(cc2C)C,0.0
61649,CO-ADD:0235144,-1.17,C(=O)(Oc1ccc(cc1\C=N\NC(COc(ccc(c2C)C)c2)=O)Br)c3ccccc3Cl,0.0
61650,CO-ADD:0235886,-1.17,[N+](=O)([O-])c1c(Br)ccc(c1)C(=O)OCC(=O)c2ccc(cc2)Br,0.0
61651,CO-ADD:0235358,-1.17,n1(c2ccccc2)c(SCc(ccc(c3[N+](=O)[O-])OC)c3)nnc1c4ccc(c(OC)c4)OC,0.0
61652,CO-ADD:0235355,-1.17,s1c(C2CCCCC2)nnc1NC(=O)c3ccc(cc3)Cl,0.0
61653,CO-ADD:0235751,-1.17,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c5cccc(c5)[N+](=O)[O-],0.0
61654,CO-ADD:0222944,-1.17,c1(NC(C)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
61655,CO-ADD:0223390,-1.17,c1(c2ccccc2)cc(c(cc3)ccc3NC(c4ccccc4)=O)nc(ccc(cccc5)c56)c16,0.0
61656,CO-ADD:0235704,-1.17,C(CCC(=O)N\N=C\c1cccc(Br)c1)(=O)Nc2cccc(Br)c2,0.0
61657,CO-ADD:0331693,-1.17,S1(=O)(=O)C(NC(CC(CCS2(=O)=O)C2)=O)=C(C(C)=C1C(=O)N3CCCCC3)C#N,0.0
61658,CO-ADD:0330789,-1.17,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)OCC(O)=O,0.0
61659,CO-ADD:0332086,-1.17,S(=O)(=O)(c1ccc(cc1)I)NCC(c2ccccc2)CC(O)=O,0.0
61660,CO-ADD:0330792,-1.17,c1(N(c2ccccc2)c3ccccc3)nc(N4CCCCC4)nc(N5CCCCC5)n1,0.0
61661,CO-ADD:0332065,-1.17,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N(CC3)CCN3c4cc(C)ccc4C,0.0
61662,CO-ADD:0232668,-1.17,c1(NC(N)=N)[nH]c(c2n1)cccc2,0.0
61663,CO-ADD:0232365,-1.17,s1c(c(cc2)ccc2[N+](=O)[O-])nnc1NC(CC)=O,0.0
61664,CO-ADD:0330863,-1.17,n12c(CCCCC1)nnc2SCC(=O)Nc(cccc3C(F)(F)F)c3,0.0
61665,CO-ADD:0232357,-1.17,C(=C\c(ccc(c1[N+](=O)[O-])N(C)C)c1)(/C(=O)NC(N2)=S)\C2=O,0.0
61666,CO-ADD:0232400,-1.17,N1(C(N)=S)N=C(CC1=O)C.C(=O)O,0.0
61667,CO-ADD:0223382,-1.17,c1(Br)ccc(\C=N\c(cc2)ccc2OC)o1,0.0
61668,CO-ADD:0235116,-1.18,n1(CN2CCCCC2)c3c(c(cccc4)c14)cccc3,0.0
61669,CO-ADD:0232491,-1.18,N(/NC(COc(ccc(c1C)C)c1)=O)=C(/C)\c2ccco2,0.0
61670,CO-ADD:0332470,-1.18,c1(NC(=O)c(cc2)ccc2C(=O)Nc3sc(c(c4ccccc4)c3C(OCC)=O)c5ccccc5)sc(c(c6ccccc6)c1C(OCC)=O)c7ccccc7,0.0
61671,CO-ADD:0332073,-1.18,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)NC(c3ccc(c(OC)c3)OC)CC(O)=O,0.0
61672,CO-ADD:0332137,-1.18,N1(CC)C(=O)C(C#N)C2(C(C#N)C1=O)CCCCCC2,0.0
61673,CO-ADD:0331087,-1.18,n1(Cc(cc2)ccc2F)c3c(nc1COc4cccc(cccc5)c45)cccc3,0.0
61674,CO-ADD:0232416,-1.18,N1(c2ccc(cc2)C)C(=O)C(=CC1=O)Nc(cc3)ccc3C,0.0
61675,CO-ADD:0232390,-1.18,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc4[N+](=O)[O-])s4,0.0
61676,CO-ADD:0222909,-1.18,C(=O)(c1ccccc1Cl)Nc2sccn2,0.0
61677,CO-ADD:0223386,-1.18,C(=O)(N\N=C\c1cc(OC)ccc1OC)C(=O)Nc2cccc(Cl)c2Cl,0.0
61678,CO-ADD:0232499,-1.18,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(cccc2OC(=O)c3cccc(Br)c3)c2,0.0
61679,CO-ADD:0223360,-1.18,n1c2c(cccc2)ccc1SCC(=O)N\N=C\C=C\c3ccccc3,0.0
61680,CO-ADD:0331844,-1.18,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C/c4ccc(C)s4,0.0
61681,CO-ADD:0235362,-1.18,C1(c2ccccc2C)(c3ccccc3C)CC1C(=O)Nc(cc4)ccc4Br,0.0
61682,CO-ADD:0222996,-1.18,C(=O)(N\N=C\c1cc(OC)ccc1OC)C(=O)Nc2c(CC)cccc2CC,0.0
61683,CO-ADD:0332006,-1.18,c(c(N)ncn1Cc2ccccc2)(nc(n3)SCCOc(cc4)ccc4C)c13,0.0
61684,CO-ADD:0235156,-1.18,c1(c(O)c(\C=N\c(ccc(c23)oc(c4cccc(OC)c4)n2)c3)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
61685,CO-ADD:0331926,-1.18,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N(CC)C3CCCCC3,0.0
61686,CO-ADD:0331975,-1.18,c(c1N)(sc2c1cc(c3n2)CCCC3)C(=O)N(c4ccccc4)c5ccccc5,0.0
61687,CO-ADD:0232103,-1.18,c1(c(Br)cc(cc1\C=N\NC(COc2cccc(C)c2)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
61688,CO-ADD:0331613,-1.18,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4c(OC)ccc(Cl)c4,0.0
61689,CO-ADD:0331245,-1.18,c12c(cc(cc1[N+](=O)[O-])SCc3ccccc3)Oc(c4NC2=O)cccc4,0.0
61690,CO-ADD:0331105,-1.18,N12[C@@]([H])(CSC1c3ccc(cc3)OC)C(N(c4ccccc4)C2=S)=O,0.0
61691,CO-ADD:0331225,-1.18,c1(cnc(C)n1CC(=O)Nc(cc2)ccc2OC(F)(Cl)F)[N+](=O)[O-],0.0
61692,CO-ADD:0331241,-1.18,C(CC1)(CCN1C(=O)c2cccs2)(C(N)=O)N3CCCCC3,0.0
61693,CO-ADD:0331393,-1.18,c(c1CCCC2)(n3cc1c4ccc(cc4)F)n2c(n3)c5ccccc5,0.0
61694,CO-ADD:0329463,-1.18,N1=C(CSc2nc(c3ccc(cc3)OC)cc(C(F)F)n2)c(c4CC1(C)C)cccc4,0.0
61695,CO-ADD:0329479,-1.18,S(=O)(=O)(NCc(ccc1C(OCC)=O)o1)c2cc(C)ccc2OC,0.0
61696,CO-ADD:0326428,-1.18,C1(CCCCC1)(C(=O)O2)C(=O)C(C2c3c(OC)ccc(cccc4)c34)(C)C,0.0
61697,CO-ADD:0235298,-1.18,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c3c(cccc3)C1=O,0.0
61698,CO-ADD:0235959,-1.18,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2Cl)c3ccccc3Cl,0.0
61699,CO-ADD:0232605,-1.18,C1(C(OCCSc2ccccc2)=O)=C(C)NC(NC1c(ccc(c34)OCO3)c4)=O,0.0
61700,CO-ADD:0223373,-1.19,C(O\N=C\c(cc1)cc(c12)ccc(OC)c2)(=O)Nc(cc3)ccc3Cl,0.0
61701,CO-ADD:0235450,-1.19,s1c(c2ccccc2)nnc1NC(=O)c3ccccc3Br,0.0
61702,CO-ADD:0332189,-1.19,C(C(=O)c1cccc(OC)c1)(C2c3ccc(c(OCC)c3)O)=C(O)C(N2CCN(CC4)CCO4)=O,0.0
61703,CO-ADD:0232092,-1.19,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3ccccc3C)=O,0.0
61704,CO-ADD:0231893,-1.19,[N+](=O)([O-])c1cccc(c1)\C=C\C(=O)c2ccc(cc2)Cl,0.0
61705,CO-ADD:0235529,-1.19,C(=O)(N\N=C\c(ccc(c12)cccn1)c2)c3ccco3,0.0
61706,CO-ADD:0235575,-1.19,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Br,0.0
61707,CO-ADD:0235505,-1.19,C(=N\c(cc1)ccc1c2sc3c(ccc(C)c3)n2)(/C4=O)\c5c(N4)ccc(C)c5Br,0.0
61708,CO-ADD:0222903,-1.19,c1(cc(Br)ccc1OC)\C=N\c(cc2)ccc2I,0.0
61709,CO-ADD:0331487,-1.19,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2F)NC3=C1C(=O)NC(N3c4ccc(cc4)C)=O,0.0
61710,CO-ADD:0331434,-1.19,S1(CCC(C1)CC(=O)NC2CCCCC2)(=O)=O,0.0
61711,CO-ADD:0329777,-1.19,C12=C(CC(C(C(OC)=O)C1=O)C)Nc(c3NC2c4cc5c(cc4Br)OCO5)cccc3,0.0
61712,CO-ADD:0327973,-1.19,c1(NC(=O)C(C(F)(F)F)C(F)(F)F)sc2c(CCC(C(C)(C)C)C2)c1C#N,0.0
61713,CO-ADD:0329694,-1.19,c(nc(c1ccccc1OC)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)c4ccc(cc4)OC(F)(F)Cl,0.0
61714,CO-ADD:0329555,-1.19,S(=O)(=O)(NC(c1ccc(cc1)OC)CC(OCC)=O)c2cc(C)ccc2OC,0.0
61715,CO-ADD:0326069,-1.19,n1c(c2ccc(cc2)OC)nnn1CC(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
61716,CO-ADD:0232571,-1.19,[N+](=O)([O-])c(ccc(c1\C=N\c(ccc(c23)c4c(cccc4)o2)c3)N5CCCCC5)c1,0.0
61717,CO-ADD:0332202,-1.19,C1(C(OCCCCCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)OC)=O,0.0
61718,CO-ADD:0235047,-1.19,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2[N+](=O)[O-],0.0
61719,CO-ADD:0223300,-1.19,S(=O)(=O)(c1ccc(cc1)Br)CC(C)=O,0.0
61720,CO-ADD:0222894,-1.19,c1(NC(COc(cc2)ccc2Br)=O)c(Br)cc(cc1Br)OC,0.0
61721,CO-ADD:0232801,-1.19,n1(c2cc(C)ccc2OS(=O)(=O)c(cccc3C(=O)Nc(cc4)ccc4Br)c3)nc5c(cccc5)n1,0.0
61722,CO-ADD:0331193,-1.19,c1(Cc2cccc(cccc3)c23)nc(c4n1C(C)C)cccc4,0.0
61723,CO-ADD:0331991,-1.19,c1(ccccc1NC(=O)c(cc2)ccc2C(C)(C)C)C(NCCN(CC3)CCO3)=O,0.0
61724,CO-ADD:0331824,-1.19,c12c(C(N(C)C(=O)N1C)=O)n(c(SCCn3c(C)ncc3[N+](=O)[O-])n2)Cc4cccc(Cl)c4,0.0
61725,CO-ADD:0235080,-1.19,C(=O)(Oc1cccc(c1)\C=N\NC(CNc2ccccc2C)=O)c3cccc(F)c3,0.0
61726,CO-ADD:0331002,-1.19,C(=O)(c(cc1OC)cc(c1OC)OC)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
61727,CO-ADD:0331566,-1.2,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)NC(c4ccc(cc4)C)CC(O)=O,0.0
61728,CO-ADD:0331764,-1.2,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cc4OC)cc(c4OC)OC,0.0
61729,CO-ADD:0331394,-1.2,c(c1CCCC2)(n3cc1c4ccc(cc4)CC)n2c(n3)c5ccccc5,0.0
61730,CO-ADD:0248372,-1.2,ClC(N=C1)=CC=C1CN2C3=CC=CC(Cl)=C3N=C2C4=CSC=N4,0.0
61731,CO-ADD:0326086,-1.2,C(F)(F)(Cl)Oc(cc1)ccc1NC(=O)CN(CC2)CCN2C.Cl,0.0
61732,CO-ADD:0326186,-1.2,C(O)(C(OCC)=O)(c(ccc(c1s2)nc2N)c1)C(F)(F)F,0.0
61733,CO-ADD:0327591,-1.2,c1(C(NCCc(ccc(c2OCC)OCC)c2)=O)sc3c(c(COC)cc(C)n3)c1N,0.0
61734,CO-ADD:0332210,-1.2,C1(C(OCCC)=O)=C(C)NC(NC1c(cc(OCC)c(c2[N+](=O)[O-])O)c2)=O,0.0
61735,CO-ADD:0332538,-1.2,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4cccc(Br)c4)[N+](=O)[O-],0.0
61736,CO-ADD:0235656,-1.2,C(/S(CC)(=O)=O)(\S(CC)(=O)=O)=C(\Nc1c2cccc1)/N2,0.0
61737,CO-ADD:0332618,-1.2,C(C(OCCOCC)=O)(C1c(cc2)ccc2C(F)(F)F)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
61738,CO-ADD:0235779,-1.2,C(=O)(c(cccn1)c1)NC(C(O)=O)CC(O)=O,0.0
61739,CO-ADD:0232081,-1.2,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2cccc(C)c2)=O)c3ccccc3Br,0.0
61740,CO-ADD:0232305,-1.2,c12c(scc1c3ccccc3)N=C(CCC4)N4C2=O,0.0
61741,CO-ADD:0331800,-1.2,C(F)(F)(C(F)(F)F)C(F)(F)Sc1cccc(c1)NC(=O)NC(=O)c2c(cccc2F)F,0.0
61742,CO-ADD:0235089,-1.2,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(CNc3cccc(C)c3)=O)Br,0.0
61743,CO-ADD:0235896,-1.2,C(=O)(OCC(=O)c1ccc(cc1)Br)C(c2ccccc2)c3ccccc3,0.0
61744,CO-ADD:0332434,-1.2,N1(Cc(cccc2)c2CC1C(=O)N3CCCCCC3)S(=O)(=O)c4ccc(cc4)OC,0.0
61745,CO-ADD:0235616,-1.2,n1(c2c(nc1SCC(=O)N(CC)CC)cccc2)C(OCCCC)=O,0.0
61746,CO-ADD:0223303,-1.2,C(=O)(c1ccc(cc1)OC(C)=O)c2ccc(cc2)OC(C)=O,0.0
61747,CO-ADD:0331028,-1.2,n1(c(C)c(nn1)C(C)O)c2nonc2N,0.0
61748,CO-ADD:0235870,-1.2,[N+](=O)([O-])c1c(Br)ccc(c1)C(=O)OCC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
61749,CO-ADD:0235488,-1.2,N1(C(c2ccc(c(OC)c2)OC)CC(c3ccc(cc3)Cl)=N1)c4scc(c5cc(C)ccc5C)n4.Br,0.0
61750,CO-ADD:0332069,-1.2,C1(C(NCCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)=O)=Cc4c(OC1=O)ccc(Br)c4,0.0
61751,CO-ADD:0235428,-1.2,C(C(OC)=O)(C1c2cccc(F)c2)=C(N)OC(CCCC3=O)=C13,0.0
61752,CO-ADD:0235916,-1.2,C1(C(OCC)=O)=C(C)NC(NC1c2cccc(cccc3)c23)=O,0.0
61753,CO-ADD:0332247,-1.2,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc4cccc(c4)NC(CSc5oc(c6n5)cccc6)=O,0.0
61754,CO-ADD:0330999,-1.2,c(c1CCCC2)(n3cc1c4ccc(c(Cl)c4)Cl)n2c(n3)c5ccc(cc5)C,0.0
61755,CO-ADD:0331404,-1.2,n1(CC(S2)C)c2nnc1c3ccccc3Cl,0.0
61756,CO-ADD:0326686,-1.21,C1(C(C)C)=NC(Cc(cc(OC)c(OC)c2)c12)(C)C.Cl,0.0
61757,CO-ADD:0329992,-1.21,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)N(C(=O)N1)Cc3ccco3,0.0
61758,CO-ADD:0328260,-1.21,c1(c2C)c(c(nn2)C)c(oc1C)C,0.0
61759,CO-ADD:0223310,-1.21,n(c(N)nc(n1)Cc2ccccc2)c1N,0.0
61760,CO-ADD:0223336,-1.21,C(NCCCCC)(=O)CC(CO)NCCCCC,0.0
61761,CO-ADD:0222866,-1.21,[N+](=O)([O-])c(cc1)cc(c1NC(=O)c2ccc(cc2)F)C,0.0
61762,CO-ADD:0235262,-1.21,C1(C(OC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(OC)=O)=S,0.0
61763,CO-ADD:0232156,-1.21,C(=N\N\C(\c1ccccn1)=N\c2ccccc2)(/C3=O)\c(cc(Br)cc4C)c4N3,0.0
61764,CO-ADD:0332485,-1.21,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccc(cc5)C)C(=O)Nc6ccccc6,0.0
61765,CO-ADD:0332349,-1.21,c1(ccc(\C=C/C(=O)NNC(=O)c2ccccc2Br)o1)c3cc(Cl)ccc3Cl,0.0
61766,CO-ADD:0235295,-1.21,O1C(=O)c2c(cc(cc2)Oc(cc3)ccc3NC(=O)c(cc(cc4NC(c5ccccc5)=O)NC(c6ccccc6)=O)c4)C1=O,0.0
61767,CO-ADD:0235957,-1.21,c1(ccc(cc1Cl)Cl)C(=O)Oc2ccccc2\C=N\c3ccccc3C,0.0
61768,CO-ADD:0223035,-1.21,c1(\C=N\NC(=O)CN(Cc2ccccc2)Cc3ccccc3)c(OC)ccc(cccc4)c14,0.0
61769,CO-ADD:0235092,-1.21,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(COc3c(C)cccc3C)=O,0.0
61770,CO-ADD:0330807,-1.21,c1(sc2c(c(COC)cc(C)n2)c1N)C3=NC(Cc(cccc4)c34)(C)C,0.0
61771,CO-ADD:0332497,-1.21,[N+](=O)([O-])c1c(ccc(C(N)=O)c1)OCC(F)(F)C(F)F,0.0
61772,CO-ADD:0330858,-1.21,c(C(NCCc1ccccc1)=O)(sc(c23)nc(cc2C(F)(F)F)c4cccs4)c3N,0.0
61773,CO-ADD:0330866,-1.21,N1(N=C(S2)SC)C2=NN=C(C(C)(C)C)C1=O,0.0
61774,CO-ADD:0331298,-1.21,C12=C(CC(CC1=O)c(cc3OC)cc(c3OC)OC)Nc(c4NC2c5ccc(c(OCC)c5)O)cccc4,0.0
61775,CO-ADD:0331411,-1.21,n1(c2ccc(cc2)Cl)nnnc1SCC(=O)N3c4c(cccc4)Sc(ccc(c5)C(F)(F)F)c35,0.0
61776,CO-ADD:0326640,-1.21,S(C)(=O)(=O)N(CC1)CCN1Cc2csc(C)n2.Cl,0.0
61777,CO-ADD:0326101,-1.21,N1(CCC(OCC)=O)C(=O)\C(\SC1=S)=C/c2ccco2,0.0
61778,CO-ADD:0232600,-1.21,C1(C(=O)OC(C)C)=C(C)NC(NC1c2ccc(c(Br)c2)OC)=O,0.0
61779,CO-ADD:0330829,-1.21,c1(c(C)c(Cl)c(nc1Oc(cc2)ccc2F)C)C(=O)Nc3ccccc3CC,0.0
61780,CO-ADD:0331390,-1.21,c1(COc2ccccc2)n(C\C=C\c3ccccc3)c4c(cccc4)n1,0.0
61781,CO-ADD:0331438,-1.21,C1(C(F)(F)F)(NC(=O)c2ccccc2F)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)OC)=O,0.0
61782,CO-ADD:0331358,-1.21,N1(c(c(cc(c2)OCC)C(=C34)C(SS3)=S)c2C(=O)C1=O)C4(C)C,0.0
61783,CO-ADD:0235402,-1.21,c12n(ncn1N)c(nn2)SCC(=O)Nc(cc3)ccc3Cl,0.0
61784,CO-ADD:0235557,-1.21,N1(CC(=O)Oc(ccc(c23)cccc2)c3)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
61785,CO-ADD:0235550,-1.21,c1(SCC(=O)Nc2ccc(cn2)Cl)nc(C)cc(C)n1,0.0
61786,CO-ADD:0332291,-1.21,c1(cc(OC)ccc1OC)C(=O)c(cc2)ccc2C(NCCOC(CC(CC3C4)CC45)(C5)C3)=O,0.0
61787,CO-ADD:0235042,-1.21,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2C,0.0
61788,CO-ADD:0235383,-1.21,C(=O)(OC(C)(C)C)N1CCCC1C(=O)Nc2cccc(C)c2,0.0
61789,CO-ADD:0332098,-1.21,S(=O)(=O)(c1ccc(cc1)OCC)N2CCC(CC2)C(N)=O,0.0
61790,CO-ADD:0235742,-1.22,C(=O)(Nc(cc1)ccc1C(OCCCCCC)=O)C2C(C(O)=O)C(CC23)C=C3,0.0
61791,CO-ADD:0232708,-1.22,n1(CC)c2c(c(CCCC3=O)c13)cc(Br)cc2,0.0
61792,CO-ADD:0332106,-1.22,C1(C(=O)NCC(CC(CC23)CC4C2)(C3)C4)=Cc5c(OC1=O)ccc(OC)c5,0.0
61793,CO-ADD:0332067,-1.22,C1(C(NCCc(c2c([nH]3)ccc(Br)c2)c3C)=O)=Cc4c(OC1=O)cccc4,0.0
61794,CO-ADD:0232282,-1.22,C1(C(=O)OCC(F)(F)C(F)(F)F)=C(C)NC(=O)NC1c2ccc(cc2)OCCC,0.0
61795,CO-ADD:0332393,-1.22,C1(C(F)(F)F)(C(F)(F)F)NC(=O)N(C2=N1)c(c3S2)ccc(OCC)c3,0.0
61796,CO-ADD:0331717,-1.22,C1(C(F)(F)F)(C(F)(F)F)N=C(c(cc2)ccn2)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
61797,CO-ADD:0331353,-1.22,N12c(c(C(C)=CC1(C)C)c3)c(C(=O)C2=O)cc3OC(=O)C4CCCO4,0.0
61798,CO-ADD:0331057,-1.22,n1(CC=C)c(SCC(NCCc(ccc(c2OCC)OCC)c2)=O)nnc1c3cccs3,0.0
61799,CO-ADD:0332506,-1.22,c1(sc(cn1)CN(CC2)CCC2c3ccccc3)NC(OC)=O,0.0
61800,CO-ADD:0331698,-1.22,C1(C(F)(F)F)(NC(=O)c2ccccc2F)C(=O)NC3=C1C(=O)NC(N3CC(C)C)=O,0.0
61801,CO-ADD:0332059,-1.22,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(c2ccc(cc2)OC)CC(OCC)=O)c1,0.0
61802,CO-ADD:0329529,-1.22,C1(C(F)(F)F)(NC(=O)c2ccco2)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
61803,CO-ADD:0328313,-1.22,n1(c2c(n3)cccc2)c3c(c(c4ccc5)c5C1=O)ccc4Sc6ccccc6N\C=C(\C(=O)NC(N7)=S)/C7=O,0.0
61804,CO-ADD:0330862,-1.22,[nH](c(ccc(c1)OC)c1c2CCNCc3cc(OC)ccc3F)c2C,0.0
61805,CO-ADD:0223398,-1.22,C(=O)(C(=O)NCc(ccc(c12)OCO1)c2)Nc3ccccc3CC,0.0
61806,CO-ADD:0235716,-1.22,c1(ccc(cc1OC)OC)\C(\C)=N\NC(=O)c2ccc(cc2)Br,0.0
61807,CO-ADD:0235659,-1.22,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/C)\C(C)(C)CC(OCC)=O)[N+](=O)[O-],0.0
61808,CO-ADD:0331922,-1.22,C1(C(=O)NCc2ccco2)=Cc3c(OC1=O)ccc(Br)c3,0.0
61809,CO-ADD:0230734,-1.22,C(N(CC=C)CC=C)(=S)Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I,0.0
61810,CO-ADD:0231883,-1.22,c1(OCC(=O)N\N=C(/CC)\c(cc2)ccc2c3ccccc3)c(OC)cc(cc1Br)Br,0.0
61811,CO-ADD:0332131,-1.22,S(=O)(=O)(c(cc1)ccc1c2ccccc2)N(CC3)CCN3C45CC(CC6C4)CC(C6)C5,0.0
61812,CO-ADD:0232724,-1.22,C(=O)(N\N=C\c(cc1)ccc1Br)c2ccc(cc2)O,0.0
61813,CO-ADD:0232133,-1.22,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2cccc(Br)c2,0.0
61814,CO-ADD:0330723,-1.22,c12c(cc(CCC3)c3c1)NC(CC2c4ccccc4C(F)(F)F)=O,0.0
61815,CO-ADD:0223255,-1.22,S(=O)(=O)(c1ccc(c(C)c1)C)C(C)(C)CC(C)=O,0.0
61816,CO-ADD:0232697,-1.22,N1(C(C)=O)[C@@]([H])(c2ccc(cc2)F)SC[C@@]1([H])C(O)=O,0.0
61817,CO-ADD:0232630,-1.22,s1c(CCCCCCCCCCCCCCC)nnc1N,0.0
61818,CO-ADD:0232545,-1.22,C(/c1c(N2)cccc1)(=N/NP(=O)(Oc3c(C)cccc3C)Oc4c(C)cccc4C)\C2=O,0.0
61819,CO-ADD:0331743,-1.22,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccccc4Cl,0.0
61820,CO-ADD:0331727,-1.22,c(c1)(cc(cn1)Br)C(NCCC2=CCCCC2)=O,0.0
61821,CO-ADD:0331347,-1.22,c1(nnc(c(cc2)ccn2)s1)N(CC=C)C(=O)c3cc(OC)cc(OC)c3,0.0
61822,CO-ADD:0332400,-1.22,C(NNc1ccccc1C)(C(F)(F)F)(C(F)(F)F)NC(=O)c2ccccc2C,0.0
61823,CO-ADD:0332374,-1.22,c1(SCCC(=O)Nc(cc2)ccc2OC)sc(c3n1)cccc3,0.0
61824,CO-ADD:0331936,-1.23,C(=O)(N(CC1)CCN1c2ccc(c(Cl)c2)Cl)c(cc3OC)cc(c3OC)OC,0.0
61825,CO-ADD:0326792,-1.23,n12c(c(c(c3ccccc3)c1C(=S)Nc4ccccc4)CCCC5)n5c(COc6ccccc6)n2,0.0
61827,CO-ADD:0328793,-1.23,C(F)(F)(F)c(cc1)ccc1C(=O)NNC(=O)c2ccccc2O,0.0
61828,CO-ADD:0235349,-1.23,c1(ccc(c2c1OC)cccc2)C(=O)Nc(cc3)ccc3OC,0.0
61829,CO-ADD:0235908,-1.23,C1(=O)Nc2c(Oc(ccc(N)c3)c13)cccc2,0.0
61830,CO-ADD:0222897,-1.23,c1(c2ccc(cc2)\N=C\c(cc3)ccc3[N+](=O)[O-])sc4c(ccc(C)c4)n1,0.0
61831,CO-ADD:0332604,-1.23,N1C(=O)\C(\NC1=S)=C/c2cc(ccc(c3)C)c3nc2N(CC4)CCO4,0.0
61832,CO-ADD:0232576,-1.23,N1(c2ccccc2)C(=O)c3c(N=C1SCC)cccc3,0.0
61833,CO-ADD:0332262,-1.23,c12c(CC(=O)OC1c3ccc(cc3)Cl)cc(OCC)c(OCC)c2,0.0
61834,CO-ADD:0332483,-1.23,C1(SCC(=O)N1c2ccc(cc2)CC)(c3c(N4CN5CCC(CC5)Cc6ccccc6)cccc3)C4=O,0.0
61835,CO-ADD:0235228,-1.23,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c2ccc[nH]2,0.0
61836,CO-ADD:0223331,-1.23,c1(N=Nc(c2)c(O)cc(O)c2\C=N\c3cccc(ns4)c3n4)nonc1N,0.0
61837,CO-ADD:0223273,-1.23,c1(ccc(cc1Cl)Cl)\C=N\c(ccc(c2Cl)N)c2,0.0
61838,CO-ADD:0232612,-1.23,s1c(N)nnc1c2ccc(cc2)C,0.0
61839,CO-ADD:0232554,-1.23,N1(C(C)=O)[C@@H](c2ccc(cc2)Br)SC[C@H]1C(=O)N(CC3)CCO3,0.0
61840,CO-ADD:0232091,-1.23,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(COc3ccccc3C)=O)o1,0.0
61841,CO-ADD:0235892,-1.23,[N+](=O)([O-])c(cccc1C(=O)OCC(=O)c(cc2)ccc2[N+](=O)[O-])c1,0.0
61842,CO-ADD:0331547,-1.23,C12(CC(CC3C1)CC(C3)C2)N(CC4)CCN4C(=O)CSc(nc(c5ccc(cc5)F)cc6C(F)(F)F)n6,0.0
61843,CO-ADD:0331140,-1.23,n1(CC(C)C)c2c(nc1c(cc3)ccc3N(C)C)cccc2,0.0
61844,CO-ADD:0331340,-1.23,C1(C(=O)NC(N2CC(C)C)=O)=C2NC(=O)C1(NC(C)=O)C(F)(F)F,0.0
61845,CO-ADD:0331293,-1.23,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)OC)C,0.0
61846,CO-ADD:0331526,-1.23,C(C(O)c1ccccc1)(CN2CCCCC2)CN3CCCCC3,0.0
61847,CO-ADD:0329837,-1.23,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1c5cccc(Cl)c5)CC,0.0
61848,CO-ADD:0326593,-1.23,n1(N)c(C)nnc1SCC(=O)Nc2cccc(cccc3)c23,0.0
61849,CO-ADD:0223264,-1.23,N1(c2ccc(cc2)OC(C)=O)C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
61850,CO-ADD:0235902,-1.23,[N+](=O)([O-])c1ccc(cc1O)C(=O)OCC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
61851,CO-ADD:0235866,-1.24,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)c2ccccc2NC(c3ccccc3)=O,0.0
61852,CO-ADD:0235528,-1.24,S(=O)(=O)(N(CC)CC)c1c(C)ccc(c1)c2nnc(c3ccc(cc3)C)o2,0.0
61853,CO-ADD:0223022,-1.24,N1(c2ccccc2C)CC(CC1=O)C(=O)N\N=C/c(cc3)ccc3Br,0.0
61854,CO-ADD:0235035,-1.24,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(ccc(c2C(O)=O)O)c2,0.0
61855,CO-ADD:0223260,-1.24,[N+](=O)([O-])c1ccc(c(c1)\N=C\c(cc2)ccc2Cl)N,0.0
61856,CO-ADD:0235311,-1.24,c(CC(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1)(c2c([nH]3)cccc2)c3,0.0
61857,CO-ADD:0331175,-1.24,c1(COc2cc(C)ccc2C(C)C)nc(c3n1C(C)C)cccc3,0.0
61858,CO-ADD:0331638,-1.24,C12(CC3CC(CC(C3)C1)C2)N(CC4)CCN4C(=O)c(ccc(c5[N+](=O)[O-])C)c5,0.0
61859,CO-ADD:0248381,-1.24,N#CC1=CC=CC=C1C(C=C2)=CC=C2CN3C4=CC(Cl)=CC=C4N=C3C5=CSC=N5,0.0
61860,CO-ADD:0327696,-1.24,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)Cc4cccs4)cc(cc3)C,0.0
61861,CO-ADD:0235103,-1.24,N(C(CCl)=O)c(cc1)c(OC)cc1c(cc2)cc(c2NC(CCl)=O)OC,0.0
61862,CO-ADD:0235115,-1.24,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c2c(Cl)ccc(Cl)c2,0.0
61863,CO-ADD:0223408,-1.24,C(=O)(Nc(cc1)ccc1OCCCCC)C(NCCOC=C)=O,0.0
61864,CO-ADD:0330960,-1.24,c(cc(Br)cc1C(Nc(cccc2)c2C3(c4ccccc4)c5ccccc5)O3)(c1O)[N+](=O)[O-],0.0
61865,CO-ADD:0235951,-1.24,C(=O)(c1ccc(cc1)Cl)Oc2ccccc2\C=N\c(cc3)ccc3C(=O)N\N=C/c4ccccc4OC(=O)c5ccc(cc5)Cl,0.0
61866,CO-ADD:0330993,-1.24,n1(c(CCC(O)=O)ccc1c2cccs2)c(cccc3C(F)(F)F)c3,0.0
61867,CO-ADD:0235629,-1.24,C(NCCOCc1ccccc1)(=O)c(cc2)ccc2C(C)(C)C,0.0
61868,CO-ADD:0235554,-1.24,S(N)(=O)(=O)c1ccc(cc1)NC(CSc2nc(C)cc(C)n2)=O,0.0
61869,CO-ADD:0232039,-1.24,n1c2c(oc1c3ccc(cc3)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br)cccc2C,0.0
61870,CO-ADD:0232049,-1.24,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3ccccc3C#N)=O,0.0
61871,CO-ADD:0331199,-1.24,c(NC(=O)Cn1nnc(c2ccc(cc2)SC)n1)(c(C(N)=O)nn3c4ccccc4)n3,0.0
61872,CO-ADD:0331615,-1.24,S(=O)(=O)(NCC(C1)(CC(CC12)CC3C2)C3)c4c(Cl)cc(c(Cl)c4)OC,0.0
61873,CO-ADD:0331271,-1.24,c1(N(c2ccccc2)c3ccccc3)nc(N)nc(N(CC4)CCO4)n1,0.0
61874,CO-ADD:0331261,-1.24,n(c1N(CC)CC)c(N(CC)CC)nc(c2n[nH]nn2)n1,0.0
61875,CO-ADD:0331732,-1.24,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(OCCOCC)=O,0.0
61876,CO-ADD:0223420,-1.24,C(=O)(N\N=C\c(ccc(c1Cl)Cl)c1)C(=O)Nc(cccc2C(F)(F)F)c2,0.0
61877,CO-ADD:0235633,-1.24,C1(c2ccccc2)(c3ccccc3)CC1C(=O)NCc4ccccc4,0.0
61878,CO-ADD:0235825,-1.24,N1(c2ccc(cc2)N)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4N,0.0
61879,CO-ADD:0232071,-1.24,c(\C=N\NC(COc1cccc(C)c1)=O)(cc(Br)cc2I)c2O,0.0
61880,CO-ADD:0232278,-1.24,c1(NC(=O)c2ccccc2Br)sc(c(C)c1C(OCC)=O)C,0.0
61881,CO-ADD:0331573,-1.24,C(=O)(NC(C)(CC)C#C)c(cc1OC)cc(c1OC)OC,0.0
61882,CO-ADD:0332054,-1.24,n1(n2)c(nc(cc1C(F)(F)F)c3ccccc3)cc2C(=O)N(CC4)CCN4C56CC(CC7C5)CC(C7)C6,0.0
61883,CO-ADD:0331279,-1.24,C1(C#N)=C(COC)C=C(N(CC(=O)Nc(cc2)ccc2OC)C1=O)C,0.0
61884,CO-ADD:0331568,-1.24,c(Nc(cccc1C(F)(F)F)c1)(n2)nc(nc2Nc(cccc3C(F)(F)F)c3)NC(C)C,0.0
61885,CO-ADD:0332353,-1.24,C(/C#N)(=C/c(cc1)ccc1OC)\C(=O)Nc(cc2)ccc2SC#N,0.0
61886,CO-ADD:0332401,-1.24,C(C(OC)=O)(NNc1ccccc1C)(C(F)(F)F)NC(=O)c2ccccc2C,0.0
61887,CO-ADD:0331953,-1.24,S(=O)(=O)(c(cc1)ccc1C2CCCCC2)Nc(cc3)ccc3OCC(O)=O,0.0
61888,CO-ADD:0235461,-1.24,c1(cc(ccc1N(CC2)CCC2C(OCC)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
61889,CO-ADD:0223400,-1.24,N1(c2cccc(c2)[N+](=O)[O-])CC(CC1=O)C(=O)Nc3ccccc3C,0.0
61890,CO-ADD:0235795,-1.24,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2C)\C=C\c(ccc(c3OC)OC)c3,0.0
61891,CO-ADD:0232428,-1.24,N1(\N=C\c2ccccn2)C(C)=Nc(c3C1=O)cccc3,0.0
61892,CO-ADD:0235515,-1.25,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(ccc(c4OC)OCc5ccc(cc5Cl)Cl)c4)\C1=O,0.0
61893,CO-ADD:0235592,-1.25,c1(\C=N\NC(Cc2ccccc2)=O)c3c(cccc3)cc(cccc4)c14,0.0
61894,CO-ADD:0232253,-1.25,c1(N2CCCCCC2)nc(N\N=C/c(cc3OC)cc(c3O)Br)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
61895,CO-ADD:0232126,-1.25,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(cc2)ccc2N(CCC)CCC,0.0
61896,CO-ADD:0232070,-1.25,C(COc1ccccc1C)(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
61897,CO-ADD:0232024,-1.25,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)\C(=C\c(ccc(c23)OCO2)c3)\NC(c4ccccc4)=O)OC(c5ccccc5)=O)c1,0.0
61898,CO-ADD:0331880,-1.25,S(=O)(=O)(N(CC1)CCN1C(OCC)=O)c2c(C)cc(c(C)c2)OC,0.0
61899,CO-ADD:0331607,-1.25,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCO3)n2)CC(C)=O,0.0
61900,CO-ADD:0331655,-1.25,C1(c2ccc(cc2)OC)=CC(C(O)=C(C)O1)=O,0.0
61901,CO-ADD:0235429,-1.25,C(C(OC)=O)(C1c2ccc(cc2)Cl)=C(N)OC(CCCC3=O)=C13,0.0
61902,CO-ADD:0235107,-1.25,N(C(CCl)=O)c(cc1)c(Cl)cc1c(cc2)cc(c2NC(CCl)=O)Cl,0.0
61903,CO-ADD:0235758,-1.25,N1(C(=O)c2c(C(C)=N1)cccc2)c3cc(ccc3[N+](=O)[O-])N4CCCCC4,0.0
61904,CO-ADD:0235638,-1.25,c(C(OCC)=O)(c(C)c(c1Cc(c(C)c(c2C(OCC)=O)C)[nH]2)C)[nH]1,0.0
61905,CO-ADD:0235790,-1.25,N(=C\c1ccccc1OC)/NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
61906,CO-ADD:0332234,-1.25,C1(C(OCCC)=O)=C(C)NC(NC1c(cc(OC)c(c2[N+](=O)[O-])O)c2)=O,0.0
61907,CO-ADD:0332608,-1.25,c1(ccc(cc1OC)C=O)OC(=O)\C=C\C,0.0
61908,CO-ADD:0235205,-1.25,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c4cc(Br)cc(Br)c4OC(=O)c5ccccc5Br,0.0
61909,CO-ADD:0331928,-1.25,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc(cc3)ccc3OCc4ccccc4,0.0
61910,CO-ADD:0331793,-1.25,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3ccc(CC)s3,0.0
61911,CO-ADD:0331384,-1.25,N12C(c3c(cccc3)CC14CCCC4)=C(C(=O)C2=O)C(OCC)=O,0.0
61912,CO-ADD:0330808,-1.25,c1(C#N)c(COC)cc(nc1OCC(OC)=O)C,0.0
61913,CO-ADD:0332371,-1.25,n1c(O)cc(nc1SCC(=O)Nc2cccc(C)c2)CCC,0.0
61914,CO-ADD:0332460,-1.25,C1(=NC(Cc(ccc(C)c2)c12)(C)C)\C(=N/O)\C(OCC)=O,0.0
61915,CO-ADD:0330887,-1.25,C(C(O)=O)C(c1ccc(cc1)Cl)NC(COc2ccccc2)=O,0.0
61916,CO-ADD:0332331,-1.25,C(O)(C(CCCCCCC(N)C(O)=O)N)=O.Cl,0.0
61917,CO-ADD:0222976,-1.25,C(CSc(cc1)ccc1Cl)(NCCc(cc2)ccc2F)=O,0.0
61918,CO-ADD:0235130,-1.25,C(=O)(Oc1cccc(c1)\C=N\NC(CNc2ccccc2C)=O)c3cccc(Br)c3,0.0
61919,CO-ADD:0235148,-1.25,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2Cl)=O)c3ccccc3Cl,0.0
61920,CO-ADD:0232512,-1.25,n1c2c(oc1c(cc3)ccc3C(C)(C)C)ccc(c2)\N=C\c(ccc(c4Cl)Cl)c4,0.0
61921,CO-ADD:0232696,-1.26,C1(C(=O)OCC(C)C)=C(C)NC(NC1c2cccc(F)c2)=O,0.0
61922,CO-ADD:0332079,-1.26,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3ccc(c(cccc4)c34)OC,0.0
61923,CO-ADD:0330751,-1.26,C1(Cl)(C(F)(F)F)Oc(ccc(c2)C)c2NC1=O,0.0
61924,CO-ADD:0331728,-1.26,c(c1)(cc(cn1)Br)C(NCCN(CC2)CCO2)=O.Cl,0.0
61925,CO-ADD:0277824,-1.26,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc(OC)c(c3)O)c3Br)\N2C4CCCC4,0.0
61926,CO-ADD:0260060,-1.26,c1(NC(=O)c2cc(F)c(cc2Cl)F)sc(c3c1C(OCC)=O)CCC3,0.0
61927,CO-ADD:0260076,-1.26,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(cc(OC)c(c4)O)c4Br)nc(Nc(cc5)ccc5OC)n1.Cl,0.0
61928,CO-ADD:0259988,-1.26,N(c1ccccc1)(CC2)CCN2CC(=O)Nc(cc3)ccc3C(OC)=O,0.0
61929,CO-ADD:0260004,-1.26,c1(cc(ccc1Oc2ccccc2C(=O)Nc3ccccc3)C(F)(F)F)[N+](=O)[O-],0.0
61930,CO-ADD:0259373,-1.26,C1(C#N)=C(N)Oc(ccc(cccc2)c23)c3C1c4ccc(cc4)C,0.0
61931,CO-ADD:0278058,-1.26,c12c(nnc(SCC(=O)Nc3ncccn3)n1)c4c(cccc4)n2CCC,0.0
61932,CO-ADD:0258702,-1.26,c1(SCC(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
61933,CO-ADD:0258910,-1.26,C(F)(F)(F)c(ccc(c1Oc(cc2)ccc2C3CCCCC3)NC(=O)c(cccn4)c4)c1,0.0
61934,CO-ADD:0259335,-1.26,C(C1c2ccccc2)(C(C1C(O)=O)c3ccccc3)C(=O)Oc4ccccc4.O,0.0
61935,CO-ADD:0258696,-1.26,c1(SCC(=O)Nc(cc2)ccc2C(C)C)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
61936,CO-ADD:0255726,-1.26,C1(c(c2)cc(cc2[N+](=O)[O-])[N+](=O)[O-])=Nc3c(ccc(Cl)c3)C(=O)O1,0.0
61937,CO-ADD:0255854,-1.26,N1(CC(=O)NC2(CCCCC2)C(=O)Nc3cccc(Cl)c3)C(=O)c4c(cccc4)C1=O,0.0
61938,CO-ADD:0253989,-1.26,S1(=O)(=O)c(cccc2)c2C(NN(C(c3ccccc3)=O)S(=O)(=O)c4ccc(cc4)NC(C)=O)=N1,0.0
61939,CO-ADD:0256914,-1.26,N12C(c3c(cccc3)C1=O)=C(SC2=O)c4ccccc4,0.0
61941,CO-ADD:0284672,-1.26,C1(C(=O)COc2ccccc2C#N)CC1,0.0
61942,CO-ADD:0284696,-1.26,N1C(=O)\C(\SC1=O)=C/c2cc(Br)ccc2OCc(cc3)ccc3F,0.0
61943,CO-ADD:0284753,-1.26,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(N)(=O)=O)n1)c4c(cccc4)n2CC,0.0
61944,CO-ADD:0284817,-1.26,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)OC)Nc2nc(cccc3)c3nc2C(F)(F)F,0.0
61945,CO-ADD:0284737,-1.26,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cc(OC)c(c5)O)c5Br)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
61946,CO-ADD:0278194,-1.26,N1(CNc2ccccc2C(OC)=O)C(=O)\C(\SC1=S)=C\c(cc3)ccc3C,0.0
61947,CO-ADD:0257681,-1.26,[N+](=O)([O-])c1cc2c(cc1\C=N\c(cccc3C(C)=O)c3)OCO2,0.0
61948,CO-ADD:0257674,-1.26,S1(=O)(=O)c(cccc2)c2C(N(C)CC(COc3ccccc3)OC(=O)c4ccc(cc4)C)=N1,0.0
61949,CO-ADD:0284293,-1.26,c1(C(=O)Oc2cccc(c2)\C=N\c3ccccc3)c(Cl)c4c(cccc4)s1,0.0
61950,CO-ADD:0284301,-1.26,S(=O)(=O)(c1ccc(cc1)C)N(CC(=O)N\N=C(\CC2)/CCC2C(C)(C)C)c3c(OC)ccc(Cl)c3,0.0
61951,CO-ADD:0257228,-1.26,C(=C\c(ccc1c(ccc(c2[N+](=O)[O-])Cl)c2)o1)(/C(=O)OC(O3)(C)C)\C3=O,0.0
61952,CO-ADD:0284272,-1.26,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c3ccc(cc3Cl)Cl)\N2C4CCCCC4,0.0
61953,CO-ADD:0284262,-1.26,s1c(C(C)C)nnc1NC(CSc2nncn2C)=O,0.0
61954,CO-ADD:0256746,-1.26,c(C#N)(c(N([H])[H])n(n1)CCO[H])c1\C(\C#N)=C\c2cc(Br)ccc2OCc3ccccc3,0.0
61955,CO-ADD:0250660,-1.26,C(C(OC)=O)(C(c(cc1)ccc1[N+](=O)[O-])C2=C(N3c4ccccc4F)CC(C)(C)CC2=O)=C3N,0.0
61956,CO-ADD:0253725,-1.26,n(c1ccccc1)(c2C)c(C)cc2\C=C(\SC(N3)=O)/C3=O,0.0
61957,CO-ADD:0254107,-1.26,C(C(OCCc1ccccc1)=O)(C(c(cc2OCC)cc(c2O)Br)N3)=C(C)N(C3=O)C,0.0
61958,CO-ADD:0250700,-1.26,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)Oc(cccc2OC(=O)c(c(Cl)ccc3S(=O)(=O)N(CC)CC)c3)c2)Cl)c1,0.0
61959,CO-ADD:0256012,-1.26,N(=C(/C)\c1cccc(N)c1)/NC(=O)c2cccc(I)c2,0.0
61960,CO-ADD:0254887,-1.26,c1(C(=O)N\N=C\c(ccc2c(ccc(c3[N+](=O)[O-])Cl)c3)o2)nonc1N,0.0
61961,CO-ADD:0252368,-1.27,C(c1ccccc1Cl)(c2ccc(cc2C)N(CCO)CCO)C(=C3)C(C)=CC(=C3)N(CCO)CCO,0.0
61962,CO-ADD:0252665,-1.27,C1(C23Cl)C(C(OC1=O)=O)C(c4c2cccc4)(c5c3cccc5)Cl,0.0
61963,CO-ADD:0252646,-1.27,c1(cccs1)\C=C(\C=C\C(OC)=O)/C=C/C(OC)=O,0.0
61964,CO-ADD:0247525,-1.27,N1(\N=C\c(ccc(c2OC)OCc(cc3)ccc3[N+](=O)[O-])c2)C(=O)C4C(C5C6(CC6)C4C=C5)C1=O,0.0
61965,CO-ADD:0252730,-1.27,C(F)(F)(F)c1cccc(c1)NC(=O)C\C(\C)=N/NC(=O)c2ccc(cc2)I,0.0
61966,CO-ADD:0248197,-1.27,c1(ccccc1I)C(=O)N\N=C\c2cccc(OC)c2O,0.0
61967,CO-ADD:0247882,-1.27,N1(c2ccc(cc2C)c(cc3)cc(c3N4C(=O)c(c5C4=O)ccc(c5)C(=O)Nc6sccn6)C)C(=O)c(c7C1=O)ccc(c7)C(=O)Nc8sccn8,0.0
61968,CO-ADD:0248242,-1.27,C1(NC(CSc2sc3c(ccc(c3)\N=C\c4ccccc4O)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
61969,CO-ADD:0249214,-1.27,N1(C(=O)c(cccn2)c2)N=C(CC1(O)c3cccc(OC)c3)C(F)(F)F,0.0
61970,CO-ADD:0249439,-1.27,N1(c2ccccc2Cl)C(=O)NC(\C(=C/c(ccc(c3[N+](=O)[O-])OC)c3)\C1=O)=O,0.0
61971,CO-ADD:0249543,-1.27,N1(\N=C\c2cccc(Cl)c2Cl)C(=O)c3c(NC1(C)c(cccc4[N+](=O)[O-])c4)cccc3,0.0
61972,CO-ADD:0249432,-1.27,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccccc4I,0.0
61973,CO-ADD:0278969,-1.27,[N+](=O)([O-])c1ccc(cc1)CC(=O)NNC(CC(c2ccccc2)CC3=O)=C3,0.0
61974,CO-ADD:0284762,-1.27,C(=Cc1ccccc1)=C(CC(=O)c2ccc(cc2)OC)CC(=O)c3ccc(cc3)OC,0.0
61975,CO-ADD:0278205,-1.27,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
61976,CO-ADD:0283214,-1.27,S(=O)(=O)(Oc(ccc1c2OC(CC1(CC(C)(C)NC3=S)N3)c4ccccc4)c2)c5ccccc5[N+](=O)[O-],0.0
61977,CO-ADD:0284255,-1.27,C1(c2ccccc2)(OC3CCCCC3)c4c(C(=O)O1)cccc4,0.0
61978,CO-ADD:0283242,-1.27,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cccn3)c3)c4sc(c5c4C(OC)=O)CCCC5,0.0
61979,CO-ADD:0278107,-1.27,C(/c(cccc1)c1CC23CCCCC2)(\N3)=C\C(=O)\C(\O)=C\C(c4ccccc4)=O,0.0
61980,CO-ADD:0277723,-1.27,c1(coc(ccc(O)c2CN3CCCCC3)c12)C(=O)c4cc(OC)ccc4OC,0.0
61981,CO-ADD:0277767,-1.27,n(cc1)ccc1CCNCCO,0.0
61982,CO-ADD:0259589,-1.27,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
61983,CO-ADD:0259486,-1.27,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(ccc(c3)N(CC)CC)c3OC)\N2,0.0
61984,CO-ADD:0259464,-1.27,C1(=C(C)N(N(c2ccccc2)C1=O)C)N(C3c(cccc4[N+](=O)[O-])c4)C(=O)C(=C3C(c5ccccc5)=O)O,0.0
61985,CO-ADD:0255592,-1.27,C(=O)(Nc1cccc(Cl)c1)C2(CCCCC2)NC(Cc3ccccc3)=O,0.0
61986,CO-ADD:0250659,-1.27,C(C(OC)=O)(C1c2ccc(cc2)Br)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
61987,CO-ADD:0257113,-1.27,C(=O)(C(C)Oc1ccc(cc1Cl)Cl)NNC(=O)c2cccc(F)c2,0.0
61988,CO-ADD:0256457,-1.28,N(N(c1ccccc1)CC2C(OC)=O)=C2C(C)=O,0.0
61989,CO-ADD:0256497,-1.28,n(c1c(n2)cccc1)(c3N)c2c(c(c4cccc(Br)c4)c3C#N)C#N,0.0
61990,CO-ADD:0256091,-1.28,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C/c(cc4Br)cc(c4O)Br)nc(Nc(cc5)ccc5C)n1.Cl,0.0
61991,CO-ADD:0278777,-1.28,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(ccc4c(cc5)cc(c56)COC6=O)o4)\C1=O,0.0
61992,CO-ADD:0278801,-1.28,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4OCC)cc(c4O)Cl)\C1=O,0.0
61993,CO-ADD:0283924,-1.28,C12(c3c(N(C)C1=O)cccc3)C(C#N)=C(N)OC(NC(=O)NC4=O)=C24,0.0
61994,CO-ADD:0284925,-1.28,c12c(nnc(SCC(=O)Nc3sccn3)n1)c4c(cccc4)n2CC,0.0
61995,CO-ADD:0277810,-1.28,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(C)=O,0.0
61996,CO-ADD:0277987,-1.28,c1(NC(CC(C)C)=O)nnc(COc(cc2)ccc2C(C)(C)C)s1,0.0
61997,CO-ADD:0284322,-1.28,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])N2CCCC2=O)c1)n3ccc(C)n3,0.0
61998,CO-ADD:0284370,-1.28,S1(=O)(=O)c(cccc2)c2C(N\N=C(/c3c(N4)cccc3)\C4=O)=N1,0.0
61999,CO-ADD:0284634,-1.28,c1(cn(nc1C(=O)NNC(=O)c2ccc(cc2Cl)[N+](=O)[O-])C)[N+](=O)[O-],0.0
62000,CO-ADD:0284450,-1.28,S(=O)(=O)(c(cccc1C(=O)N2CCc(cccc3)c23)c1)N4CCCCCC4,0.0
62001,CO-ADD:0278372,-1.28,S(=O)(=O)(c1c(C)cc(cc1C)C)N(CCN2S(c3ccccc3)(=O)=O)C2c4ccccc4,0.0
62002,CO-ADD:0279038,-1.28,C(/n(c1)ncn1)(=C/c(c(O)ccc2[N+](=O)[O-])c2)\C(=O)c3ccc(cc3Cl)Cl,0.0
62003,CO-ADD:0278943,-1.28,N1\C(=N/c2ccccc2)\C3(N(CC(OCC)=O)C1=S)CCCCC3,0.0
62004,CO-ADD:0253703,-1.28,c1(NC(=O)CC2c3cccc(OC)c3OC)c2ccc(cccc4)c14,0.0
62005,CO-ADD:0256820,-1.28,C(C1)(CC(N1)=O)(CC(N2C)=O)C2=O,0.0
62006,CO-ADD:0256854,-1.28,c1(C#N)c2c(sc1\N=C\c(cc(Cl)cc3Cl)c3O)CCC2,0.0
62007,CO-ADD:0255536,-1.28,C1(C(OCCc2ccccc2)=O)=C(C)NC(NC1c3cccc(cccc4)c34)=O,0.0
62008,CO-ADD:0256064,-1.28,c1(N(CC2)CCO2)nc(N\N=C\c(c(Cl)ccc3[N+](=O)[O-])c3)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
62009,CO-ADD:0252458,-1.28,c1(NC(CSc2oc(c3n2)cccc3)=O)sc(c4n1)cccc4,0.0
62010,CO-ADD:0252395,-1.28,n1c(O)csc1NNC(=O)c2ccc(cc2)OC,0.0
62011,CO-ADD:0252276,-1.28,C(/CC(=O)c1cccs1)(=N\NC(=O)c2cccc(Br)c2)\C(F)(F)F,0.0
62012,CO-ADD:0252572,-1.28,C(=O)(C(C)N(CC)C=N1)N1,0.0
62013,CO-ADD:0254942,-1.28,C(=O)(C(C)Oc(cc1)ccc1Cl)NNC(=O)c2ccc(cc2)F,0.0
62014,CO-ADD:0252219,-1.28,S(=O)(=O)(c1ccc(cc1)OC)N2CC(C)CC(C)C2,0.0
62015,CO-ADD:0252703,-1.28,c1(cc(ccc1N)Cc(cc2)cc(c2C(O)=O)N)C(O)=O,0.0
62016,CO-ADD:0252680,-1.28,C1(Cl)(Cl)C(O)OC(c2ccccc2)C1c3ccccc3,0.0
62017,CO-ADD:0254389,-1.28,C(/c1c2cccc1)(\c3c2cccc3)=N\NC(=O)c4ccc(cc4)Cl,0.0
62018,CO-ADD:0247790,-1.28,N1(B(c2ccccc2)c3ccccc3)\C(\C=CC(Cl)=C1)=N/c4ccccn4,0.0
62019,CO-ADD:0254786,-1.28,c1(c2ccccc2O)cc(c3ccc(cc3)Br)nc(N\N=C\c4ccccc4F)n1,0.0
62020,CO-ADD:0254974,-1.28,n(c1C)(nnc1C(=O)N\N=C\c(ccc(c2OCC)OC)c2)c3nonc3N,0.0
62021,CO-ADD:0247784,-1.28,s1c(N)nnc1SCC(=O)c(cccc2[N+](=O)[O-])c2,0.0
62022,CO-ADD:0254960,-1.28,n(c(Oc1ccccc1)cc(n2)OC)c2N,0.0
62023,CO-ADD:0258932,-1.28,N1=C(CSc(cc2)ccc2Cl)OCC(=O)N1,0.0
62024,CO-ADD:0258869,-1.28,c1(nnc(Cc2ccccc2)s1)NC(=O)c(cc3)ccc3C(C)(C)C,0.0
62025,CO-ADD:0258925,-1.28,N1(c2ccccc2C)C(=O)\C(=C\c3ccccc3O)\C(NC1=S)=O,0.0
62026,CO-ADD:0259740,-1.28,c12c(nnc(SC(CC)C(=O)Nc3nnc(C)s3)n1)c4c(cccc4)n2CC,0.0
62027,CO-ADD:0259336,-1.28,c1([nH]c(c(c(cc2)ccc2c3ccccc3)n1)c(cc4)ccc4c5ccccc5)c6c7c([nH]c6)cccc7,0.0
62028,CO-ADD:0259618,-1.28,N1(C)C(=O)\C(\SC1=S)=C\c(c2c([nH]3)cccc2)c3,0.0
62029,CO-ADD:0259307,-1.28,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(C(C)(C)C)s3)c4sc(c5c4C#N)CCCC5,0.0
62030,CO-ADD:0259533,-1.29,C(C(=O)c1ccc(cc1)OC)(C(=O)C(N2c3ccccc3)=O)=C2C(OC)=O,0.0
62031,CO-ADD:0260157,-1.29,N1(c2ccccc2C)C(=O)\C(=C\c(cc(Br)c(c3)OCC)c3OCC)\C(NC1=S)=O,0.0
62032,CO-ADD:0250514,-1.29,N(CN1CCC(CC1)C)(N=C(N2c3ccccc3)c4cccc(F)c4)C2=S,0.0
62033,CO-ADD:0250034,-1.29,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)F)c4sc(c5c4C#N)CCCCC5,0.0
62034,CO-ADD:0255806,-1.29,s1c(c(cc2)ccc2C(C)(C)C)nnc1NC(=O)c3ccc(cc3Cl)Cl,0.0
62035,CO-ADD:0255738,-1.29,S1(=O)(=O)c(cccc2)c2C(Nc3cccc(c3)OC(=O)\C=C\c4ccccc4)=N1,0.0
62036,CO-ADD:0250257,-1.29,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc(c5OC)OCc6ccccc6Cl)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
62037,CO-ADD:0256597,-1.29,c1(N2CCC(CC2)C)nc(OCC)nc(NC3CCCC3)n1,0.0
62038,CO-ADD:0258516,-1.29,c1(c(Cl)ccc(c1)c2ccc(\C=N\c(cc3)ccc3OC)o2)C(O)=O,0.0
62039,CO-ADD:0284683,-1.29,S(=O)(=O)(c1ccc(cc1)C)Nc(nnc2C(F)(F)F)s2,0.0
62040,CO-ADD:0283923,-1.29,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC(CCCCNC(=O)C(=O)Nc(cc4)ccc4C)C3,0.0
62041,CO-ADD:0284699,-1.29,C1(C(OC)=O)=C(C)NC(NC1c(cc2)cc(c2OC(=O)C3CC3)OCC)=O,0.0
62042,CO-ADD:0284772,-1.29,c(c(c1c(C2=O)cccc1)on3)(c2ccc4N(CC5)CCN5c6ccccc6)c34,0.0
62043,CO-ADD:0284788,-1.29,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(=O)N\N=C(/c3c4cccc3)\c5c4cccc5,0.0
62044,CO-ADD:0277995,-1.29,N1(c(cc2)ccc2C(=O)Nc3ccccc3C(O)=O)C(=O)C4C(C5CC4C=C5)C1=O,0.0
62045,CO-ADD:0277989,-1.29,N1(c2ccc(cc2)Cl)C(=O)CC(N(CCc(cc3)ccc3S(N)(=O)=O)C(=O)\C=C\C(O)=O)C1=O,0.0
62046,CO-ADD:0278037,-1.29,N1(CN(CC2)CCN2Cc(ccc(c34)OCO3)c4)c(cccc5)c5\C(=N/c(ccc(c6Br)C)c6)\C1=O,0.0
62047,CO-ADD:0277942,-1.29,N1(c(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4Br)c2)C(=O)c5c(cccc5)C1=O,0.0
62048,CO-ADD:0277975,-1.29,C(=O)(OC(C1=C)(C)CCc(ccc(c23)OCO2)c3)O1,0.0
62049,CO-ADD:0278087,-1.29,C(C(C)(C)NC(=O)\C=C\c1ccccc1Cl)#C,0.0
62050,CO-ADD:0278414,-1.29,C1(C(OCC)=O)=C(CSC2=NC(C)=CC(=O)N2)NC(=O)N1,0.0
62051,CO-ADD:0279086,-1.29,[N+](=O)([O-])C(\C=N\C(C)(C)C)\C=N\c1ccc(cc1OC)OC,0.0
62052,CO-ADD:0279094,-1.29,N12C(S\C(=C/c(ccc3c(cccc4C(O)=O)c4)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5c(OC)ccc(cccc6)c56,0.0
62053,CO-ADD:0277408,-1.29,n12c(S\C(=C/c(cc3OC)cc(c3O)Cl)\C1=O)nc(cc(C)c(C)c4)c24,0.0
62054,CO-ADD:0278895,-1.29,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c3cc(Br)ccc3OCc4ccc(cc4Cl)Cl)\N2c5ccccc5,0.0
62055,CO-ADD:0278376,-1.29,c12c(nnc(SCC(=O)Nc(cccc3C(C)=O)c3)n1)c4c(cccc4)n2CCc5ccccc5,0.0
62056,CO-ADD:0284138,-1.29,C1(C(=O)OCc(ccc(c23)OCO2)c3)=C(C)NC(NC1c4ccccc4F)=O,0.0
62057,CO-ADD:0283978,-1.29,C(C(=O)OCC(C)C)(C1c2ccc(cc2)F)=C(C)NC(CC(c3ccccc3)CC4=O)=C14,0.0
62058,CO-ADD:0250634,-1.29,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C/c(c(cccc3)c3n4C)c4,0.0
62059,CO-ADD:0250444,-1.29,N1C(=O)\C(\SC1=N)=C\c(ccc(c2OC)OCc(cc3)ccc3C)c2,0.0
62060,CO-ADD:0256911,-1.29,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c2cccc(OCC=C)c2)c3cccc(Cl)c3Cl,0.0
62061,CO-ADD:0253931,-1.29,C1(=N2)N(c3c(cccc3)N1C)N=C4N2c5c(N4C)cccc5,0.0
62062,CO-ADD:0255274,-1.29,S1(=O)(=O)C(C(C)(C)O)C(C1(C)C)N(CC2)CCO2,0.0
62063,CO-ADD:0255298,-1.29,C(/C1)(=C/c2ccccc2)\C(=O)\C(\CN1Cc3ccccc3)=C\c4ccccc4,0.0
62064,CO-ADD:0252634,-1.3,C12(c(cccc3)c3C(c4ccccc4)(c5ccccc5)S1)ON=C(c6ccccc6)S2,0.0
62065,CO-ADD:0254499,-1.3,C(=S)(c(cc1)cc(c1OC(Cc2ccccc2)=O)OCC)N(CC3)CCO3,0.0
62066,CO-ADD:0252960,-1.3,S(CCCCCCCCCC)(=O)(=O)Nc1ccc(cn1)Br,0.0
62067,CO-ADD:0252580,-1.3,n1c(N)scc1c2cccs2,0.0
62068,CO-ADD:0255195,-1.3,n1c(N2CCCCC2)nc(nc1N(CC3)CCO3)N\N=C\c4ccccc4F,0.0
62069,CO-ADD:0252427,-1.3,S(=O)(=O)(c1ccc(cc1)\N=C\c(cc2OC)cc(c2OC)OC)Nc3ccccn3,0.0
62070,CO-ADD:0253074,-1.3,c1(Nc2ccc(cc2OC)OC)nc(Cl)nc(NCc3ccco3)n1,0.0
62071,CO-ADD:0247641,-1.3,P(=O)(N(CCC)CCC)(N(CCC)CCC)C(Cl)Cl,0.0
62072,CO-ADD:0255137,-1.3,N1(c(cc2)ccc2C(=O)N3CCCCCC3)C(=O)CCC1=O,0.0
62073,CO-ADD:0248963,-1.3,N1(\N=C\c(ccc(c2OC)OC)c2)C(=O)c3c(NC1(C)c(cccc4[N+](=O)[O-])c4)cccc3,0.0
62074,CO-ADD:0254357,-1.3,c1(Nc(cc2)ccc2OC)nc(N\N=C\c3cc(I)cc(I)c3OCc4ccccc4)nc(NCc5ccco5)n1.Cl,0.0
62075,CO-ADD:0248964,-1.3,C1(C2c3ccc(cc3)OCC(=O)N(CC4)CCO4)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC5=O)=C25,0.0
62076,CO-ADD:0255068,-1.3,C(=O)(c1ccccc1C)N(Cc(cc2)ccc2Br)c3ccc(cc3)C,0.0
62077,CO-ADD:0256245,-1.3,N(CCN1C(c2ccccc2)=O)(C(c3ccccc3)=O)C1c(cc4)ccc4N(C)C,0.0
62078,CO-ADD:0253348,-1.3,[N+](=O)([O-])c(cc(Oc(cc1)ccc1CCC(=O)N2CCC(CC2)C)cc3[N+](=O)[O-])c3,0.0
62079,CO-ADD:0253781,-1.3,n1(c2ccccc2)c(SCC(=O)NCC3CCCO3)nnc1c4cccc(OC)c4,0.0
62080,CO-ADD:0250663,-1.3,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)F)c4sc(c5c4C(OCC)=O)CCCC5,0.0
62081,CO-ADD:0254075,-1.3,C(C(OC)=O)(C1c2ccc(cc2)Br)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
62082,CO-ADD:0256849,-1.3,c1(NC(=S)NC(=O)c(cc2)ccc2[N+](=O)[O-])nnc(C)s1,0.0
62083,CO-ADD:0284652,-1.3,n12c(ccc(cccc3)c13)nnc2c4ccc(cc4)F,0.0
62084,CO-ADD:0259088,-1.3,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4)ccc4N(C)C)\C1=O)=NC(C)=C2C(C)=O,0.0
62085,CO-ADD:0258307,-1.3,c1(SC)nc(c2n1Cc(cc3)ccc3OC)cccc2,0.0
62086,CO-ADD:0258595,-1.3,c12n(C(CS1)c3ccc(cc3)Br)cnc4c2ncn4,0.0
62087,CO-ADD:0258341,-1.3,c1(SC)nc(c2n1CC(=O)Nc3ccccc3)cccc2,0.0
62088,CO-ADD:0258349,-1.3,N1C(=O)\C(\SC1=N)=C/c(ccc(c2OC)OCc3ccccc3F)c2,0.0
62089,CO-ADD:0278023,-1.3,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCc(c4)c(cc5)c([nH]4)cc5[N+](=O)[O-])N3c6ccccc6,0.0
62090,CO-ADD:0277840,-1.3,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)F)n(c3c1S(CCC)(=O)=O)cccc3C(N)=O,0.0
62091,CO-ADD:0277361,-1.3,C(/C#N)(=C/c(cc1)ccc1Cl)\C(=O)Nc(ccc(c2C)C)c2,0.0
62092,CO-ADD:0277793,-1.3,S1C(SC)=NN(CCc(cc2)ccn2)C1=S,0.0
62093,CO-ADD:0277513,-1.3,C(=O)(NC(C)C)C(NCCc(cc1)ccc1Cl)=O,0.0
62094,CO-ADD:0277731,-1.31,S(N)(=O)(=O)c(ccc1c2C3C(C(C(O)=O)N1)CC=C3)c2,0.0
62095,CO-ADD:0253221,-1.31,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(N)(=O)=O)n1)c4c(cccc4)n2C,0.0
62096,CO-ADD:0253777,-1.31,N(CN1CCCCC1)(N=C(N2c3ccccc3)COc(cc4)ccc4C5CCCCC5)C2=S,0.0
62097,CO-ADD:0253553,-1.31,n1(c2C)c(ncc2C(C)=O)cc(c3cccc(Br)c3)n1,0.0
62098,CO-ADD:0253577,-1.31,o1c(SCC(=O)c2ccc(c3c2)cccc3)nnc1c4ccc(cc4)OC,0.0
62099,CO-ADD:0255565,-1.31,N(c1sccn1)(C2c3ccccc3)C(=O)C(=C2C(=O)c4ccc(cc4)Cl)O,0.0
62100,CO-ADD:0253335,-1.31,c1(c2ccc(cc2)NC(Cc3ccccc3)=O)[nH]c(c4n1)cccc4,0.0
62101,CO-ADD:0253393,-1.31,C(C(OCC)=O)(C(=O)\C(\N1)=C/c(ccc(c2Cl)Cl)c2)=C1C,0.0
62102,CO-ADD:0256750,-1.31,C1(=O)Nc(c2N1)ccc(c2)\N=C\c(ccc(c3OC)OCC(OCC)=O)c3,0.0
62103,CO-ADD:0255389,-1.31,c1(c(ccc(c1)C(F)(F)F)Oc(cccc2C(=O)Nc3ccccc3)c2)[N+](=O)[O-],0.0
62104,CO-ADD:0250529,-1.31,C(N)(=O)SCC(=O)Nc1cccc(OC)c1,0.0
62105,CO-ADD:0256014,-1.31,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cccc3C(=O)Nc4ccccc4C(O)=O)c3,0.0
62106,CO-ADD:0253544,-1.31,C(=O)(Oc1ccccc1)N2CCCC2C(=O)Nc3sccn3,0.0
62107,CO-ADD:0253785,-1.31,n1(C)c(SCc(cc2)ccc2OC)nnc1c3ccccc3,0.0
62108,CO-ADD:0253634,-1.31,c1(c2)c(cc(OC)c2NC(=O)c3ccc(cc3)Oc(cc4)ccc4C(=O)Nc(c(OC)cc(c56)c7c(cccc7)o5)c6)c8c(cccc8)o1,0.0
62109,CO-ADD:0256727,-1.31,c1(SCc2ccccc2)sc3c(ccc(c3)NC(CSc4ccccn4)=O)n1,0.0
62110,CO-ADD:0250567,-1.31,C1(C#N)(C#N)C(c2ccc(cc2)SC)C(C3)C(C(C#N)=C1N)=CCN3CCC,0.0
62111,CO-ADD:0253535,-1.31,N1(Cc2ccccc2Cl)C(=O)C(C3C1=O)CC(C=C3C)C(CC(N4Cc5ccccc5Cl)=O)C4=O,0.0
62112,CO-ADD:0252339,-1.31,C1(OC(C)=O)[C@@H](OC([C@@H](OC(C)=O)C1OC(C)=O)COC(C)=O)NC(=O)Nc2cccc(cccc3)c23,0.0
62113,CO-ADD:0248095,-1.31,n1(C)cnnc1SCC(=O)Nc2c(C)ccc(c2)NC(CSc3nncn3C)=O,0.0
62114,CO-ADD:0252418,-1.31,c(C(=O)N\N=C\c(cc1)ccc1OC(=O)c(ccc(c23)OCO2)c3)(c(C)on4)c4c5ccccc5,0.0
62115,CO-ADD:0248081,-1.31,c1(NC(C)=O)cc(nn1Cc2cccc(Cl)c2)c3ccccc3,0.0
62116,CO-ADD:0252371,-1.31,c1(Sc2ccccc2)c(Sc3ccccc3)c(C#N)c(c(Sc4ccccc4)c1Sc5ccccc5)C#N,0.0
62117,CO-ADD:0255236,-1.31,N1(c2ccc(cc2)F)C(=O)CC(N(CCc3ccccc3)C(CCC(O)=O)=O)C1=O,0.0
62118,CO-ADD:0253034,-1.31,c1(nc(C)c(c(C)c1C#N)Cl)S(NCC=C)(=O)=O,0.0
62119,CO-ADD:0247539,-1.31,C(C(C)=O)(C1c2ccccc2)=C(O)C(N1c(cc3)cc(c3C(O)=O)O)=O,0.0
62120,CO-ADD:0249763,-1.31,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccccc4.[Na+],0.0
62121,CO-ADD:0248876,-1.31,c1(\C=N\NC(COc(cc2)ccc2I)=O)c(OC)ccc(cccc3)c13,0.0
62122,CO-ADD:0248842,-1.31,S(=O)(=O)(c1cccc(c1)C(=O)NCc(cccn2)c2)N(CC3)CCO3,0.0
62123,CO-ADD:0252518,-1.31,S(=O)(=O)(c1ccc(cc1)\N=C\c(cc2)ccc2OCC(C)C)Nc3ccccn3,0.0
62124,CO-ADD:0249504,-1.31,N1(C(c(cc2)ccc2C(C)C)CC(c3ccc(cc3)F)=N1)c4scc(c5ccc(cc5)Cl)n4.Br,0.0
62125,CO-ADD:0252849,-1.31,c1(N\N=C\c(ccc2c3ccc(cc3)Br)o2)sc(c4n1)cccc4,0.0
62126,CO-ADD:0257026,-1.32,S(=O)(=O)(N(C)C)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c2ccccc2N(CCCC3C(=O)N(CC)CC)C3,0.0
62127,CO-ADD:0256842,-1.32,N1(c2ccc(cc2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)OCc4ccccc4,0.0
62128,CO-ADD:0253255,-1.32,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)NCC(O)c3ccccc3,0.0
62129,CO-ADD:0250472,-1.32,c1(c2c(cccc2Cl)F)nnc(ccc3C(F)(F)F)n1c3,0.0
62130,CO-ADD:0253205,-1.32,c1(cc(cc(sn2)c1c2OCc3ccccc3)[N+](=O)[O-])[N+](=O)[O-],0.0
62131,CO-ADD:0253446,-1.32,c1(c2cc(OC)c(OC)c1)C(=O)OC(c3cccc(Oc(cc4)ccc4C(OC5=O)=Nc(c56)cc(c(OC)c6)OC)c3)=N2,0.0
62132,CO-ADD:0258533,-1.32,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCc3ccc(cc3Cl)Cl)=O,0.0
62133,CO-ADD:0258541,-1.32,C1(C(OCC)=O)=C(C)NC(=O)NC1c(cc2)ccc2C(F)(F)F,0.0
62134,CO-ADD:0284867,-1.32,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCCCC2)C(=O)N(CC4)CCO4,0.0
62135,CO-ADD:0284651,-1.32,c1(c2cccc(OC)c2OC)nnc(ccc(cccc3)c34)n14,0.0
62136,CO-ADD:0284749,-1.32,c1(nc(c(ccc(c2Cl)Cl)c2)cc3C(F)(F)F)n3nc(C(O)=O)c1Br,0.0
62137,CO-ADD:0284901,-1.32,c1(C(OC)=O)sc2c(c(COC)cc(C)n2)c1N,0.0
62138,CO-ADD:0278148,-1.32,c1(NC(CSc2nc(C)cc(C)n2)=O)n(c3ccccc3)ncc1C(OCC)=O,0.0
62139,CO-ADD:0277941,-1.32,c1(NC(=O)c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2)sc(c3c1C#N)CCC3,0.0
62140,CO-ADD:0277957,-1.32,n1(nnc(C(=O)N\N=C(\c(cccc2)c23)/C=C(C3=O)C)c1CN(CC4)CCO4)c5nonc5N,0.0
62141,CO-ADD:0260090,-1.32,C1(C(OCCCCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OC)=O,0.0
62142,CO-ADD:0259259,-1.32,N1(C(c2ccc(cc2)Br)N(CC1=O)Cc3ccccc3)\N=C(/C)\c4ccccc4,0.0
62143,CO-ADD:0259571,-1.32,C12(c(cccc3)c3C(c4ccc(cc4)C)(c5ccc(cc5)C)S1)N(c6ccc(cc6)Cl)N=C(C(C)=O)S2,0.0
62144,CO-ADD:0278849,-1.32,c(OCc1ccccc1)(c(O)c2)c(O)cc2C(OC)=O,0.0
62145,CO-ADD:0277434,-1.32,C1(C(CC=C2)C2c3c(ccc(C(O)=O)c3)N1)c4ccc(cc4Cl)Cl,0.0
62146,CO-ADD:0277403,-1.32,C(/S\C(\C1=O)=C/c(cc2OC)cc(c2OC(C)=O)OC)(=N\C(C)=O)\N1,0.0
62147,CO-ADD:0278874,-1.32,c1(c2N)c(c(c(Sc(cc3)ccc3CC)c2Sc(cc4)ccc4CC)N)C(c5c(cccc5)C1=O)=O,0.0
62148,CO-ADD:0278388,-1.32,c1(NC(CSc2nnc(N)s2)=O)nnc(SCC(=O)Nc3c(Br)cc(cn3)Br)s1,0.0
62149,CO-ADD:0279108,-1.32,c1(C#N)c(C)c(sc1\N=C\c(cc2)ccc2C)C,0.0
62150,CO-ADD:0250508,-1.32,n1(CC=C)c(SCC(=O)Nc2ccccc2C(OC)=O)nnc1c3cccc(OC)c3,0.0
62151,CO-ADD:0257174,-1.32,c1(N(c2ccccc2)c3ccccc3)nc(N4CCCCCC4)nc(N(CC5)CCN5c6cccc(Cl)c6)n1,0.0
62152,CO-ADD:0253310,-1.32,[N+](=O)([O-])c1cc2c(cc1CC3CC3)OCCO2,0.0
62153,CO-ADD:0253447,-1.32,S(=O)(=O)(Nc(cc1)ccc1Cl)c(ccc(c2C(O)=O)Cl)c2,0.0
62154,CO-ADD:0250482,-1.32,C1(C(OCCOCC)=O)=C(C)NC(NC1c2ccccc2F)=O,0.0
62155,CO-ADD:0255731,-1.32,C1(c2ccccc2F)=Nc(cccc3)c3C(=O)N1CCc4ccccc4,0.0
62156,CO-ADD:0256299,-1.32,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2Br)cc(c2OCc(cc3)ccc3C)Br,0.0
62157,CO-ADD:0250236,-1.33,c1(cc(Br)cc(\C=N\c(cc2)ccc2Br)c1O)[N+](=O)[O-],0.0
62158,CO-ADD:0249993,-1.33,S(=O)(=O)(c(ccc(c12)C(=O)c(c3C1=O)cccc3)c2)Nc4scc(c5ccccc5)n4,0.0
62159,CO-ADD:0255757,-1.33,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(=O)NC1c(cc3)ccc3N(CC)CC,0.0
62160,CO-ADD:0256271,-1.33,c1(nc(c2n1CC(=O)N\N=C/c(cc(Cl)cc3Cl)c3O)cccc2)c4nonc4N,0.0
62161,CO-ADD:0250308,-1.33,C(C(OC)=O)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c(cc5)ccc5S(N)(=O)=O,0.0
62162,CO-ADD:0252609,-1.33,C1(O)(CC(=NN1C(=O)c(cccc2[N+](=O)[O-])c2)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.0
62163,CO-ADD:0252271,-1.33,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccccc4OCc5ccccc5,0.0
62164,CO-ADD:0252444,-1.33,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C\c4cccc(OC)c4OC,0.0
62165,CO-ADD:0254484,-1.33,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
62166,CO-ADD:0248082,-1.33,c1(SCC(=O)NCc2ccccc2)oc(c3n1)cccc3,0.0
62167,CO-ADD:0248176,-1.33,c1(c(Br)cc(cc1\C=N/NC(=O)c(ccc(c23)OCO2)c3)Br)OC(=O)c(cc4OC)cc(c4OC)OC,0.0
62168,CO-ADD:0247361,-1.33,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c(cc2)ccc2O)F,0.0
62169,CO-ADD:0255034,-1.33,S(C1)CC1Oc(cc2)ccc2\C=N\Cc(cc3)ccc3OC,0.0
62170,CO-ADD:0249087,-1.33,C(C(OCC)=O)(C1c2ccc(cc2)SC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
62171,CO-ADD:0249054,-1.33,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
62172,CO-ADD:0252551,-1.33,N1(c2c(OC)ccc(OC)c2)C(=O)C(C3C1=O)C(CC34)C=C4,0.0
62173,CO-ADD:0249603,-1.33,N1(c2ccc(c(Cl)c2)C)C(c3ccc(cc3)OCC)Nc(c4C1=O)cccc4,0.0
62174,CO-ADD:0252526,-1.33,n1c(c2ccc(cc2)Cl)csc1Nc3c(OC)cc(c(OC)c3)Cl.Br,0.0
62175,CO-ADD:0253495,-1.33,C(C(OC)=O)(C1c2ccc(cc2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
62176,CO-ADD:0255306,-1.33,c(C(=O)c1ccc(cc1)F)(sc(c23)nc(cc2c4ccccc4)c5ccccc5)c3N,0.0
62177,CO-ADD:0250344,-1.33,c1(cc(\C=N\Nc2nncn2N)c(cc1N3CCC(CC3)C)N4CCC(CC4)C)[N+](=O)[O-].Cl.Cl,0.0
62178,CO-ADD:0250577,-1.33,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccccc4F)n1,0.0
62179,CO-ADD:0250439,-1.33,c(C#N)(c(\C(\C#N)=C\c(ccc(c1OC)OCc(cc2)ccc2C)c1)nn3c4ccccc4)c3N,0.0
62180,CO-ADD:0254014,-1.33,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4OC)cc(c4OCc5ccccc5Cl)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
62181,CO-ADD:0283893,-1.33,n1(C)cnnc1SCc2ccc(c3c2cccc3)F,0.0
62182,CO-ADD:0283925,-1.33,N(C(=O)\C(\S1)=C\c(ccc(c2O)OC)c2)=C1N3CCCC3,0.0
62183,CO-ADD:0283846,-1.33,s1c(c(cc2)ccc2[N+](=O)[O-])nnc1NC(=O)c(ccc(c3Cl)Cl)c3,0.0
62184,CO-ADD:0284446,-1.33,N1(C(=O)c2ccc(c3c2)cccc3)c4c([C@]([H])(CN(C)CC5)[C@]15[H])cc(C)cc4.Cl,0.0
62185,CO-ADD:0283831,-1.33,N1(CNc(cc2)ccc2F)N=C(OC1=S)c(cc3OC)cc(c3OC)OC,0.0
62186,CO-ADD:0258646,-1.33,C(=C\c(cc1)ccc1OCc(cc2)ccc2Cl)(/C3=O)\Sc(c34)cccc4,0.0
62187,CO-ADD:0260155,-1.34,N1(c2ccc(c(Cl)c2)Cl)C(=O)C3C(C(\C(=C(\C4)/CCC4)\C35)C=C5)C1=O,0.0
62188,CO-ADD:0259595,-1.34,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)NC(=O)\C=C\c4ccccc4)n1,0.0
62189,CO-ADD:0259468,-1.34,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)OC)=C(O)C(N2CCN(CC)CC)=O,0.0
62190,CO-ADD:0259484,-1.34,N(c1ccc(cc1)F)(C2=O)C(c3cccc(cccc4)c34)C=C2Nc(cc5)ccc5F,0.0
62191,CO-ADD:0259324,-1.34,c1(C(NCCCN(C)C)=O)c(O)cc(c2c1)cccc2,0.0
62193,CO-ADD:0278644,-1.34,C(=C\c(ccc(c1OC)OCC(C)C)c1)(/C2=O)\Sc(c23)cccc3,0.0
62194,CO-ADD:0283703,-1.34,C1(C(C)=O)C(=O)CC(CC1=O)(C)C,0.0
62195,CO-ADD:0284662,-1.34,C(/C(C)=NN1c(ccc(c2C(O)=O)Cl)c2)(=C/c(cn(n3)Cc4ccc(cc4Cl)Cl)c3c5ccccc5)\C1=O,0.0
62196,CO-ADD:0284686,-1.34,C1(C#N)(C#N)C(C(C)C)N(C(N)=C1C#N)\N=C\C(C)C,0.0
62197,CO-ADD:0284903,-1.34,N1C(=S)S\C(=C(/C)\CC(C)=O)\C1=O,0.0
62198,CO-ADD:0253366,-1.34,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c4ccccc4,0.0
62199,CO-ADD:0253383,-1.34,C1(C(\C=C\c(ccc2[N+](=O)[O-])o2)C3=C(C)N(N(c4ccccc4)C3=O)C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
62200,CO-ADD:0255988,-1.34,C(=C/c(cc1OCC)cc(c1O)I)(/C(=O)NN2c3ccc(cc3)Br)\C2=O,0.0
62201,CO-ADD:0256052,-1.34,c1(cc(Br)cc(\C=N\Nc(nc(NCc2ccccc2)nc3N(C)C)n3)c1O)[N+](=O)[O-].Cl,0.0
62202,CO-ADD:0256166,-1.34,n1(c2cc(C)ccc2OC(=O)c(ccc(c3S(=O)(=O)N(CC)CC)Br)c3)nc4c(cccc4)n1,0.0
62203,CO-ADD:0255870,-1.34,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(cc3)ccc3Cc(cc4)ccn4,0.0
62204,CO-ADD:0256931,-1.34,c1(C(=O)\C=C(\O)/C(OC)=O)c(F)c(F)c(c(F)c1F)OC,0.0
62205,CO-ADD:0255900,-1.34,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC)=O,0.0
62206,CO-ADD:0250178,-1.34,c1(C#N)c(SCc2ccccc2)nsc1N\N=C\c(cc3)ccc3Br,0.0
62207,CO-ADD:0250083,-1.34,N(C(=O)\C(\S1)=C/c(cc2)ccc2OCC)=C1N3CCC(CC3)C,0.0
62208,CO-ADD:0255828,-1.34,n1(c2c(nn1)cccc2)S(=O)(=O)c(cc3)c(C)cc3[N+](=O)[O-],0.0
62209,CO-ADD:0250507,-1.34,N(CN1CCCCC1)(N=C(N2c3ccccc3)c4cccc(Br)c4)C2=S,0.0
62210,CO-ADD:0254938,-1.34,C(=O)(N\N=C/c(cccc1OC(=O)\C=C/c(cc2)ccc2OC)c1)c3ccc(cc3)F,0.0
62211,CO-ADD:0254902,-1.34,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c5ccc(c(Cl)c5)C)o4,0.0
62212,CO-ADD:0252736,-1.34,c1(NC(c2ccc(cc2)F)P(=O)(OCC(C)C)OCC(C)C)nnn(CC)n1,0.0
62213,CO-ADD:0254566,-1.34,C(CSc1cccc(cccn2)c12)(=O)N\N=C\c3cccc(cccc4)c34,0.0
62214,CO-ADD:0253058,-1.34,N1(c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2C)C(=O)c(c3C1=O)cccc3,0.0
62215,CO-ADD:0254439,-1.34,P(OCC)(OCC)(=O)C(c1ccc(cc1)OC)Nc(cc2)ccc2Br,0.0
62216,CO-ADD:0252895,-1.35,C(C(OCCCl)=O)(C(N)=O)C(F)(F)F,0.0
62217,CO-ADD:0252875,-1.35,c1(cc(ccc1C(O)=O)Oc(cccc2NC(=O)c3cc(OC)cc(OC)c3)c2)C(O)=O,0.0
62218,CO-ADD:0249231,-1.35,C(=O)(N\N=C\c(cccc1OC(=O)\C=C\c(cc2)ccc2OC)c1)c3cccc(F)c3,0.0
62219,CO-ADD:0249006,-1.35,c1(c2ccc(cc2Cl)Cl)nnc(SCc(cc3)ccc3Br)o1,0.0
62220,CO-ADD:0248984,-1.35,N1=C(SCC(=O)Nc2ncccn2)NC(C(c3ccccc3)C1=O)=O,0.0
62221,CO-ADD:0249621,-1.35,N1(c2ccc(cc2)C)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
62222,CO-ADD:0247364,-1.35,c12c(non1)N\C(=N/N=C\c(c(cccc3)c3n4Cc5ccc(cc5Cl)Cl)c4)\C(Nc6cccc(C)c6C)=N2,0.0
62223,CO-ADD:0254954,-1.35,[N+](=O)([O-])c(cc(C(=O)c(cc1)ccc1[N+](=O)[O-])cc2[N+](=O)[O-])c2C,0.0
62224,CO-ADD:0256315,-1.35,N1(c(ccc(c2C#N)C#N)c2)C=Nc(c3C1=O)cccc3,0.0
62225,CO-ADD:0250648,-1.35,c(cn(n1)Cc2ccc(cc2Cl)Cl)(\C=C(\C3=O)/Sc(c34)cccc4)c1c5ccccc5,0.0
62226,CO-ADD:0250672,-1.35,c1(N\N=C\c(cc2)ccc2C)nncn1N.Cl.Cl,0.0
62227,CO-ADD:0250596,-1.35,c1(SCC(=O)NC2CC2)sc(c3n1)cccc3,0.0
62228,CO-ADD:0256468,-1.35,C(=O)(N\N=C\c1ccc2c(c(ccc3)CC2)c13)c(cccn4)c4,0.0
62229,CO-ADD:0256612,-1.35,C(CC)(NC(=O)Oc(cc1)ccc1c2ccccc2)(C(F)(F)F)C(F)(F)F,0.0
62230,CO-ADD:0258327,-1.35,c1(SCC(=O)Nc2ccccc2OC)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
62231,CO-ADD:0258343,-1.35,c1(SC)nc(c2n1CC(=O)NC(c3ccccc3)c4ccccc4)cccc2,0.0
62232,CO-ADD:0258359,-1.35,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n1,0.0
62233,CO-ADD:0258631,-1.35,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc4c5ccccc5C(O)=O)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
62234,CO-ADD:0283245,-1.35,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)Cl)\N2CCc4ccccc4.Br,0.0
62235,CO-ADD:0259113,-1.35,n1(c2c(n3)cccc2)c3c(c(C)c(\C=N\c(ccc(c4Cl)C)c4)c1O)C#N,0.0
62236,CO-ADD:0259966,-1.35,C(=C/c(cc1OCC)cc(c1O)I)(/C(=O)NN2c3ccc(cc3)I)\C2=O,0.0
62237,CO-ADD:0260078,-1.35,n12c(S\C(=C/c(ccc(c3OC)OCC(O)=O)c3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
62238,CO-ADD:0259982,-1.35,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(cc3)cc(c3OC(C)C)OC)\N2c4ccccc4,0.0
62239,CO-ADD:0259990,-1.35,s1c(c2ccc(cc2)C)nnc1NC(C3CCCCC3)=O,0.0
62240,CO-ADD:0259423,-1.35,c12c(nnc(SCC(=O)Nc3sccn3)n1)c4c(cccc4)n2Cc5ccccc5,0.0
62241,CO-ADD:0260080,-1.35,c(C(OCC)=O)(c(cc(O)c(c1)Br)c1n2Cc3ccccc3)c2CN4CCCC4.Cl,0.0
62242,CO-ADD:0284671,-1.35,c1(CC(O)=O)c(SC)c2c(cccc2)n1C,0.0
62243,CO-ADD:0284408,-1.35,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c3c(ccc(cccc4)c34)OCC(OCC)=O,0.0
62244,CO-ADD:0284754,-1.35,c12c(nnc(SCC(=O)Nc3sc(c4c3C(OCC)=O)CCC4)n1)c(c5n2C(C)C)cccc5,0.0
62245,CO-ADD:0284610,-1.35,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Cl)=C(O)C(N2CCBr)=O,0.0
62246,CO-ADD:0284379,-1.35,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(NCCCC)=O)c3,0.0
62247,CO-ADD:0253452,-1.35,S(=O)(=O)(Nc(cc1)ccc1Br)c2c(OC)ccc(C(O)=O)c2,0.0
62248,CO-ADD:0253180,-1.35,c1(c(Cl)cc(cc1Cl)Cl)N\N=C(/C)\c2ccc(Cl)s2,0.0
62249,CO-ADD:0255778,-1.35,C1(C(=O)OCC(Cl)(Cl)Cl)=C(C)NC(=O)NC1c2ccc(cc2)O,0.0
62250,CO-ADD:0253830,-1.35,S1(=O)(=O)c(cccc2)c2C(NCCOC(=O)c3ccccc3OC(C)=O)=N1,0.0
62251,CO-ADD:0256733,-1.35,C1(c2ccc(cc2Cl)Cl)=NNC(=S)N1C,0.0
62252,CO-ADD:0253688,-1.35,N1(c2cccc(Cl)c2)C(C)(CC(NC1=S)(C)C)c3ccc(cc3O)O,0.0
62253,CO-ADD:0256035,-1.36,C1(C2c3cccc(OC)c3)=C(c4c(cccc4)OC1=O)OC(N)=C2[N+](=O)[O-],0.0
62254,CO-ADD:0256596,-1.36,c1(SC(CC)C(=O)Nc(cc2)ccc2[N+](=O)[O-])sc(c3n1)cccc3,0.0
62255,CO-ADD:0253521,-1.36,c1(SCC(=O)N\N=C\c2c(cccc2Cl)Cl)nc(C)cc(C)n1,0.0
62256,CO-ADD:0255418,-1.36,[N+](=O)([O-])c(cc1)cc(c1C(=O)Oc(ccc(c23)cccc2)c3)Cl,0.0
62257,CO-ADD:0257003,-1.36,c1(c(ccc(c1)C(F)(F)F)Oc(cccc2C(NCCOc3c(C)cc(cc3C)C)=O)c2)[N+](=O)[O-],0.0
62258,CO-ADD:0256921,-1.36,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3S(=O)(=O)N(CCOC(=O)c4ccccc4Br)c5ccccc5OC)=N1,0.0
62259,CO-ADD:0249403,-1.36,c1(nc(c2n1CC(=O)N\N=C/c3cccc(Cl)c3Cl)cccc2)c4nonc4N,0.0
62260,CO-ADD:0249194,-1.36,N1(NC(=O)c(cccn2)c2)C(=O)C3C(C(CC34)C=C4)C1=O,0.0
62261,CO-ADD:0249676,-1.36,c1(N2CCC(CC2)C)nc(N\N=C\c(cc3)ccc3Cl)nc(Nc4cccc(C)c4C)n1,0.0
62262,CO-ADD:0254943,-1.36,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4)cc(c4OC(C)=O)OC)\C1=O,0.0
62263,CO-ADD:0249616,-1.36,N1(c2ccc(c(Cl)c2)Cl)C(c3ccc(cc3)OCc4ccccc4)Nc(c5C1=O)cccc5,0.0
62265,CO-ADD:0254648,-1.36,N1(c2ccc(c3c2)cccc3)C(c4ccc(cc4)OC)Nc(c5C1=O)cccc5,0.0
62266,CO-ADD:0254850,-1.36,N12C(S\C(=C\c3ccccc3C(F)(F)F)\C1=O)=C(C(c4ccccc4C(F)(F)F)C(C#N)=C2N)C(OCC)=O,0.0
62267,CO-ADD:0252857,-1.36,C(C(OCCOC)=O)(C(c1ccccc1Cl)N2)=C(C)N(C2=O)C,0.0
62268,CO-ADD:0247793,-1.36,P(=O)(Nc1ccccc1)(Nc2ccccc2)\C(\SCC)=C(/Cl)\SCC,0.0
62269,CO-ADD:0247750,-1.36,c(cc1)ccc1C2C\C(\c3c(O2)ccc(C)c3)=N/Nc4scc(c5ccc(cc5)Cl)n4.Br,0.0
62270,CO-ADD:0248866,-1.36,C(F)(F)(F)c(ccc(n1)N\N=C\c2ccccc2F)c1,0.0
62271,CO-ADD:0133875,-1.36,O=C(c1[nH]c([N+](=O)[O-])cn1)NCCc2ccc(C)cc2,0.0
62272,CO-ADD:0135145,-1.36,O=C1N(CCO)C(C)=Cn(c12)cc([N+](=O)[O-])n2,0.0
62273,CO-ADD:0135137,-1.36,O=C1NC(c2ccc(OC(F)(F)F)cc2)=Cn(c13)cc([N+](=O)[O-])n3,0.0
62274,CO-ADD:0135136,-1.36,O=C1NC(C)=C(C)n(c12)cc([N+](=O)[O-])n2,0.0
62275,CO-ADD:0256333,-1.36,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C(OCC)=O)=C1N)c4ccc(c(OC)c4)OC,0.0
62276,CO-ADD:0255492,-1.36,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c3ccccc3OCCC)=O,0.0
62277,CO-ADD:0255485,-1.36,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cccn3)c3)c4sc(c5c4C(OC)=O)CCCCC5,0.0
62278,CO-ADD:0255502,-1.36,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCCc(ccc(c3OC)OC)c3,0.0
62279,CO-ADD:0257064,-1.36,C(=O)(NCC(C)C)C(NCCCCCCCCCCCC)=O,0.0
62280,CO-ADD:0255640,-1.36,s1c(C2CCCCC2)nnc1NC(=O)c(ccc(c3Cl)Cl)c3,0.0
62281,CO-ADD:0259108,-1.36,c1(\C=N\NC(=O)Cc2nnc(N)s2)c3c([nH]c1C)cccc3,0.0
62282,CO-ADD:0284299,-1.36,c12c(c(nn1c3ccccc3)C)cc(C(=O)N\N=C\c4ccccc4)s2,0.0
62283,CO-ADD:0283843,-1.36,S(=O)(=O)(Nc(cc1)ccc1Oc2ccccc2)c3ccc(c(OC)c3)OC,0.0
62284,CO-ADD:0284395,-1.36,C1(C#N)(C#N)C(N)=C(C#N)C(C2C1c3c(C)cc(c(c3C)[N+](=O)[O-])C)=CCCC2,0.0
62285,CO-ADD:0284604,-1.36,c(c(ccc1NCCCl)no2)(c2c3c(C4=O)cccc3)c14,0.0
62286,CO-ADD:0259793,-1.36,N1(c2cccc(cccc3)c23)C(=O)\C(=C\c(ccc(c45)OCO4)c5)\C(N(c6ccc(cc6)C)C1=O)=O,0.0
62287,CO-ADD:0259459,-1.36,C(=O)(NC1CC1)C2C(C(=O)OCC(F)(F)C(F)F)C(CC23)C=C3,0.0
62288,CO-ADD:0259555,-1.37,N1(C(=O)C2CC2)c3c([C@]([H])(CN(C)CC4)[C@@]14[H])cc(C)cc3.Cl,0.0
62289,CO-ADD:0258324,-1.37,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\n(cnn3)c3,0.0
62290,CO-ADD:0258501,-1.37,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cccc3Oc4ccc(cc4[N+](=O)[O-])C(F)(F)F)c3,0.0
62291,CO-ADD:0258534,-1.37,C(=C\c(ccc1c2cccc(Cl)c2)o1)(/C(=O)NC(N3)=S)\C3=O,0.0
62292,CO-ADD:0283039,-1.37,c1([nH]c(c(c2ccc(cc2)Oc3ccccc3)n1)c4ccccc4)c5c6c([nH]c5)cccc6,0.0
62293,CO-ADD:0283138,-1.37,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c4ccccc4)\SC=C1c5ccc(cc5)Cl.Br,0.0
62294,CO-ADD:0284002,-1.37,C(C(OCCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4ccc(c(OCC)c4)O,0.0
62295,CO-ADD:0284066,-1.37,C1(c2cccc(OC)c2)(c3cccc(OC)c3)CC1C(=O)Nc(cc4)ccc4OCC,0.0
62296,CO-ADD:0283419,-1.37,c12c(n(c(SCC(=O)NC(C)(C)C)n1)C)C(N(C)C(=O)N2C)=O,0.0
62297,CO-ADD:0283708,-1.37,C1(C(c2c3cccc2)c4c(O3)cccc4)C(=O)c(c5C1=O)cccc5,0.0
62298,CO-ADD:0253681,-1.37,C1(C(=O)Nc2ccccc2F)C3C1CC\C=C/CC\C=C\CC3,0.0
62299,CO-ADD:0255719,-1.37,C(O)(=O)c1cccc(c1)NC(Cc(ccc(c2OC)OC)c2)=O,0.0
62300,CO-ADD:0255599,-1.37,C(=O)(c1ccccc1F)NC(c2ccccc2)C(=O)Nc3cccc(Cl)c3,0.0
62301,CO-ADD:0256912,-1.37,c12c(nnc(N\N=C/c3cc(Cl)ccc3O)n1)c(c4[nH]2)cccc4C,0.0
62302,CO-ADD:0250582,-1.37,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Br)c4sc(c5c4C(OCC)=O)CCCC5,0.0
62303,CO-ADD:0255359,-1.37,s1c(N)nnc1SCC(=O)Nc(cc2)ccc2C,0.0
62304,CO-ADD:0253699,-1.37,s1c(N)nnc1SCC(=O)N(c2ccccc2)c3ccccc3,0.0
62305,CO-ADD:0250423,-1.37,n12c(S\C(=C\c(ccc(c3OC)O)c3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
62306,CO-ADD:0250238,-1.37,c1(sc2c(ccc(C)c2)n1)NC(=O)C3CCCN3Sc4ccccc4[N+](=O)[O-],0.0
62307,CO-ADD:0250361,-1.37,C(=O)(N\N=C\c1ccccc1O)CCSc(cc2)ccc2Cl,0.0
62308,CO-ADD:0253214,-1.37,[N+](OCCOC(=O)c(cccn1)c1)(=O)[O-],0.0
62309,CO-ADD:0255475,-1.37,N1(c2ccccc2C)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
62310,CO-ADD:0255141,-1.37,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)NC3CC(CC34)CC4,0.0
62311,CO-ADD:0255103,-1.37,[C]1234(C(=O)NC(Cc5ccccc5)C(O)=O)[B]67([B]18([C]6([B]9%10([B]%11%12%13%14[H])([B]%11%15%16([B]2%12%17%18[H])[H])[H])([B]89%13%19[H])([B]7%10%15%20[H])C(=O)NC(Cc%21ccccc%21)C(O)=O)([B]3%14%17%19[H])[H])([B]4%16%18%20[H])[H],0.0
62312,CO-ADD:0254371,-1.37,c12c(nnc(N\N=C\c3c(OC)ccc(cccc4)c34)n1)c(c5[nH]2)cccc5C,0.0
62313,CO-ADD:0254367,-1.37,n1(c(C)cc(C)n1)S(=O)(=O)c2ccc(cc2)F,0.0
62314,CO-ADD:0255082,-1.37,C1(CC1)NC(COc(cc2)ccc2F)=O,0.0
62315,CO-ADD:0249060,-1.37,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3c4ccccc4F)C1=O,0.0
62316,CO-ADD:0249076,-1.37,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(=O)Nc(cc3)ccc3OC)[N+](=O)[O-],0.0
62317,CO-ADD:0249065,-1.37,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)OC)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
62318,CO-ADD:0254336,-1.37,C(=O)(Oc1ccc(cc1OC)\C=N/NC(=O)c(ccc(c23)OCO2)c3)c4cccc(cccc5)c45,0.0
62319,CO-ADD:0254586,-1.37,N1(\N=C\c(cc2)ccc2O)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
62320,CO-ADD:0254582,-1.37,C(=C\c(cc1I)cc(c1OC)I)(/C(=O)OC(O2)(C)C)\C2=O,0.0
62321,CO-ADD:0249766,-1.37,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(ccc3c4ccc(cc4)Cl)o3)nc(NCc5ccco5)n1.Cl,0.0
62322,CO-ADD:0135568,-1.37,CN(C)C(NC(N)=N)=N.Cl,0.0
62323,CO-ADD:0250262,-1.37,C(=O)(\C=C\CCCCC)NC1CC1,0.0
62324,CO-ADD:0256926,-1.37,N1(c2ccc(cc2)Cl)C(c3ccccc3)=C(C(=O)C1=O)C(c4ccccc4)c5ccccc5,0.0
62325,CO-ADD:0256417,-1.37,c1(nonc1N)\C(\N)=N\OCc(ccc(c2[N+](=O)[O-])OC)c2,0.0
62326,CO-ADD:0256474,-1.37,C1(C)(C(OCC)=O)C=C(C(=O)N1c(cc2)ccc2S(N)(=O)=O)Nc(cc3)ccc3S(N)(=O)=O,0.0
62327,CO-ADD:0257163,-1.38,n12c(S\C(=C\c(c(cccc3)c3n4Cc5ccccc5)c4)\C1=O)nc(cc(C)c(C)c6)c26,0.0
62328,CO-ADD:0283789,-1.38,n12c(ccc(cccc3)c13)nnc2c(cccc4C(F)(F)F)c4,0.0
62329,CO-ADD:0284277,-1.38,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc(n3c4ccc(cc4)F)C)c3C)\N2C5CCCCC5,0.0
62330,CO-ADD:0284629,-1.38,n1(C(=O)c(cc2)ccc2C(C)(C)C)cc(cn1)Cl,0.0
62331,CO-ADD:0284294,-1.38,C(/C1)(=C/c(ccc(c2OC)OC)c2)\C(=O)\C(\CC1C(C)(C)C)=C\c(ccc(c3OC)OC)c3,0.0
62332,CO-ADD:0284352,-1.38,P(=O)([O-])CN(CC=C)C(C)=O,0.0
62333,CO-ADD:0283638,-1.38,C1(=O)c2c(cccc2)C(Oc(ccc(cccc3)c34)c14)=O,0.0
62334,CO-ADD:0258561,-1.38,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3O)nc(Nc4cc(C)ccc4C)n1.Cl,0.0
62335,CO-ADD:0257804,-1.38,N1C(=O)\C(\SC1=N)=C\c2cccc(OC)c2OCc3ccc(cc3Cl)Cl,0.0
62336,CO-ADD:0257389,-1.38,c1(c(Cl)cc(c(\C=N\c(ccc(c2N3)NC3=O)c2)c1)Cl)[N+](=O)[O-],0.0
62337,CO-ADD:0257509,-1.38,c(c(C)c(s1)C)(C(=O)N(C)C(=N2)SC)c12,0.0
62338,CO-ADD:0257549,-1.38,c1(SCC(O)=O)[nH]c(c2n1)ccc(C)c2,0.0
62339,CO-ADD:0278724,-1.38,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)\N=C\c(cc4)ccc4Cl)n1,0.0
62340,CO-ADD:0283752,-1.38,n12c(ccc(cccc3)c13)nnc2c4cccc(c4)OCc5ccccc5,0.0
62341,CO-ADD:0278656,-1.38,S1(=O)(=O)c(cccc2)c2C(NCCOC(C(C)C)=O)=N1,0.0
62342,CO-ADD:0278363,-1.38,S(CCCCCCCCCCCC)(=O)CC(O)c1ccccc1,0.0
62343,CO-ADD:0278658,-1.38,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCOc(cc3)ccc3C(C)(C)C)c1C,0.0
62344,CO-ADD:0278700,-1.38,c1(C(OC)=O)c(c2ccccc2)sc(NNc(sc(c3C(OC)=O)c4ccccc4)n3)n1.Cl.Cl,0.0
62345,CO-ADD:0250271,-1.38,n1(nnc(C(OCC)=O)c1CN(C(C)C)Cc2ccccc2)c3nonc3N,0.0
62346,CO-ADD:0250575,-1.38,[N+](=O)([O-])c1ccccc1C(=O)Nc(ccc(c2s3)nc3SCC(=O)N(CC4)CCO4)c2,0.0
62347,CO-ADD:0256047,-1.38,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c34)OCO3)c4)nc(Nc5ccc(cc5Br)C)n1.Cl,0.0
62348,CO-ADD:0256087,-1.38,c1(N(CC2)CCO2)nc(N\N=C/c(ccc3c(cccc4C(O)=O)c4)o3)nc(Nc(cc5)ccc5F)n1.Cl,0.0
62349,CO-ADD:0255291,-1.38,C1(C#N)=C(N)Oc2c(ccc(c2)O)C1c3cccs3,0.0
62350,CO-ADD:0256265,-1.38,c1(N(CC2)CCO2)nc(Nc3ccccc3)nc(NC4CCCC4)n1,0.0
62351,CO-ADD:0257094,-1.38,N1(CN(CC2)CCO2)c(cccc3)c3\C(=N\c(cc4)ccc4OCCCCC)\C1=O,0.0
62352,CO-ADD:0253216,-1.38,s1c(N)nnc1SCC(NCCCCCNC(CSc2nnc(N)s2)=O)=O,0.0
62353,CO-ADD:0250571,-1.38,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
62354,CO-ADD:0250274,-1.38,c1(C(O)=O)cc(ccc1NC(=O)c2ccc(cc2)OC)c(ccc(c3C(O)=O)NC(=O)c4ccc(cc4)OC)c3,0.0
62355,CO-ADD:0256793,-1.38,n1c(N)[nH]nc1SCCCCC,0.0
62356,CO-ADD:0249053,-1.38,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5)OC(c6ccccc6)=O,0.0
62357,CO-ADD:0249471,-1.38,C(=O)(Nc1cccc(OC)c1)N(C)c2cccc(Cl)c2,0.0
62358,CO-ADD:0248881,-1.38,C1(\N=C\c(ccc2Sc3ccccc3)o2)=C(C)N(N(c4ccccc4)C1=O)C,0.0
62359,CO-ADD:0248851,-1.38,N1(c2ccc(cc2)Br)C(=O)\C(\C=C1c3ccccc3)=C\c(cc4)ccc4[N+](=O)[O-],0.0
62360,CO-ADD:0252862,-1.38,n(c1c(c2C(OC)=O)cccc1)(C(=O)c(cc3)ccc3C(C)(C)C)c2,0.0
62361,CO-ADD:0247675,-1.38,c1(SCC(=O)N\N=C\c(ccc(c2OC)O)c2)ncccn1,0.0
62362,CO-ADD:0249758,-1.38,n1(nnc(C(=O)N\N=C\c2ccccn2)c1c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
62363,CO-ADD:0249304,-1.39,C1(c2cc(C)ccc2C)=C\C(\C(=O)O1)=C\c3cccc(OC)c3OC,0.0
62364,CO-ADD:0254867,-1.39,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(cc4)cc(c4Oc5ccc(cc5[N+](=O)[O-])C(F)(F)F)OC,0.0
62365,CO-ADD:0252822,-1.39,N1(c2ccc(cc2)Cl)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
62366,CO-ADD:0252525,-1.39,n1c(c(cc2)ccc2c3ccccc3)csc1Nc4c(OC)cc(c(OC)c4)Cl.Br,0.0
62367,CO-ADD:0252817,-1.39,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc(cc3)ccc3Cc(cc4)ccn4)Nc(cc5)ccc5Cc(cc6)ccn6,0.0
62368,CO-ADD:0256988,-1.39,N1(c2ccccc2Cl)C(=O)C(C(C1=O)C34\C=N\c5cccc(Cl)c5Cl)C(c(c36)cccc6)c(c47)cccc7,0.0
62369,CO-ADD:0256253,-1.39,c1(NC(COC(=O)c2ccc(Br)o2)=O)sc(c3n1)cccc3,0.0
62370,CO-ADD:0256076,-1.39,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(cc(I)cc3I)c3OC)n1.Cl,0.0
62371,CO-ADD:0249929,-1.39,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c(cccc3[N+](=O)[O-])c3,0.0
62372,CO-ADD:0256173,-1.39,C1(C)(NN=C2C(OC)=O)C2C(N(c3ccccc3)C1=O)=O,0.0
62373,CO-ADD:0249938,-1.39,c1(OC(N)=C(C2c3cccc(OC)c3)C#N)c2c(n[nH]1)C,0.0
62374,CO-ADD:0283246,-1.39,c12c(ccc(I)c1)noc2c3ccc(cc3)Cl,0.0
62375,CO-ADD:0284518,-1.39,C12=C(c3c(cccc3)C1=O)OC(c4ccc(cc4)Br)c(cc(OC)c(OC)c5)c25,0.0
62376,CO-ADD:0284471,-1.39,n(c1C)c2c(s1)ccc(O)c2,0.0
62377,CO-ADD:0283296,-1.39,N1C(=O)C(C)=NN(CC(C)C)C1=S,0.0
62378,CO-ADD:0284497,-1.39,c12c(nnc(SCC(=O)Nc3sc(c4c3C(OCC)=O)CCC4)n1)c5c(cccc5)n2CC=C,0.0
62379,CO-ADD:0284505,-1.39,c(C(=O)c(cc1)ccc1c(cc2)ccc2C(=O)c(sc(c34)nc(c(CC)c3C)C)c4N)(sc(c56)nc(c(CC)c5C)C)c6N,0.0
62380,CO-ADD:0257765,-1.39,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c3cccs3)\N2,0.0
62381,CO-ADD:0257965,-1.39,N1(c2ccc(cc2)C)C(=O)\C(=C\c(cc3OC)cc(c3O)Br)\C(NC1=S)=O,0.0
62382,CO-ADD:0257527,-1.39,C12=C(C(NC(c3cccc(c3)OCc4ccccc4)N1)=O)SC(=S)N2c5ccccc5,0.0
62383,CO-ADD:0257999,-1.39,c12c(nnc(SCCCCC(=O)Nc3cccc(cccc4)c34)n1)c5c(cccc5)n2CCC,0.0
62384,CO-ADD:0257470,-1.39,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5OCC)cc(c5O)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
62385,CO-ADD:0283478,-1.39,C1(=O)N(c2ccccc2)N=CC(N)=C1Cl,0.0
62386,CO-ADD:0283774,-1.39,s1c(CCC(c2ccccc2)=O)nnc1N,0.0
62387,CO-ADD:0278173,-1.39,S(c1ccccc1)(=O)(=O)NC(c2ccc(cc2)O)C(Cl)(Cl)Cl,0.0
62388,CO-ADD:0278788,-1.39,c1(nc(c2n1Cc3ccccc3F)cccc2)c4nonc4NC(C)=O,0.0
62389,CO-ADD:0278804,-1.39,N1(c2cccc(OC)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cccc4C(=O)\C=C\c5ccccc5)c4,0.0
62390,CO-ADD:0278261,-1.39,c1(Sc2ccc(\C=N\NC(=O)Cc3cccc(cccc4)c34)o2)nnc(c5ccccc5)n1c6ccccc6,0.0
62391,CO-ADD:0256449,-1.39,C(=N/c1ccccc1Cl)(/S\C(\C2=O)=C\c(cc3)ccc3OC(=O)c4cccc(C)c4)\N2,0.0
62392,CO-ADD:0256641,-1.4,N1(c(cc2)ccc2c3ccnc(c(cc4)ccc4N5C(=O)C(C6C5=O)C7CC6C=C7)n3)C(=O)C8C(C(CC89)C=C9)C1=O,0.0
62393,CO-ADD:0257146,-1.4,n1(nc(s2)SCC(=O)Nc(cc3)ccc3C(C)=O)c2nnc1SCC(=O)Nc(cc4)ccc4C(C)=O,0.0
62394,CO-ADD:0256995,-1.4,C(F)(F)(F)c(ccc(n1)SCC(=O)Nc2c(C)cccc2C)c1,0.0
62395,CO-ADD:0254093,-1.4,S(C)(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)Nc2ccccc2C(OC)=O,0.0
62396,CO-ADD:0253792,-1.4,c1(\C=N\c2ccccc2C)c(O)c(O)c(c(cc(C)c3c(c(C)cc(c45)c(C(C)C)c(c(O)c4\C=N\c6ccccc6C)O)c5O)c1c3O)C(C)C,0.0
62397,CO-ADD:0254023,-1.4,c1(Br)c2c(cccc2)ccc1Oc3ccc(cc3NC(CCCOc4ccc(cc4Cl)Cl)=O)Cl,0.0
62398,CO-ADD:0256114,-1.4,c1(N2CCCCC2)nc(N\N=C\c(ccc(c3)N(CC)CC)c3OCc4ccc(cc4Cl)Cl)nc(Nc(cc5)ccc5F)n1.Cl,0.0
62399,CO-ADD:0256886,-1.4,[N+](=O)([O-])c(cc(cc1NC(=O)c(cc2)ccc2[N+](=O)[O-])[N+](=O)[O-])c1C,0.0
62400,CO-ADD:0249956,-1.4,C(=N\Nc(cc1)ccc1C)(/C(N)=NN2)\C2=N,0.0
62401,CO-ADD:0253548,-1.4,C(c1ccc(c(OC)c1)OC)(NC(Cc2ccccc2)=O)NC(Cc3ccccc3)=O,0.0
62402,CO-ADD:0248028,-1.4,c1(sc(c(c(ccc(c2[N+](=O)[O-])OC)c2)n1)C)NC(=O)c3ccc(cc3)Br,0.0
62403,CO-ADD:0247690,-1.4,N(C(CCC(OC)=O)=O)c1ccccc1C#N,0.0
62404,CO-ADD:0247648,-1.4,S1(CCC(C1)NC(=O)\C(=C/c(cc2)ccc2OC)\NC(c3ccccc3)=O)(=O)=O,0.0
62405,CO-ADD:0247482,-1.4,C1(OC(C)=O)[C@@H](OC(C)=O)C(COC(C)=O)O[C@@H](O)C1OC(C)=O.c2(cccc(OC)c2)C(CCC)=O,0.0
62406,CO-ADD:0247670,-1.4,[N+](=O)([O-])c1ccc(c(Br)c1)NC(=S)NC(=O)\C=C\c2ccccc2,0.0
62407,CO-ADD:0247662,-1.4,[N+](=O)([O-])c1ccccc1\C=N\Nc2nc(C)cc(COC)c2C#N,0.0
62408,CO-ADD:0247766,-1.4,C(F)(F)(F)\C(=N/CC\N=C(/CC(C)=O)\C(F)(F)F)\CC(C)=O,0.0
62409,CO-ADD:0254581,-1.4,S(=O)(=O)(N\N=C/c(ccc(c1[N+](=O)[O-])N(C)C)c1)c2ccc(c3c2)cccc3,0.0
62410,CO-ADD:0254856,-1.4,n1(nnc(C(NN)=O)c1CN2CCCCCC2)c3nonc3N,0.0
62411,CO-ADD:0254957,-1.4,C1(CN2CCCCC2)=C(C(O)=O)NC(=O)NC1=O,0.0
62412,CO-ADD:0247884,-1.4,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4[N+](=O)[O-],0.0
62413,CO-ADD:0247639,-1.4,P(N(C)C)(N(C)C)(N(C)C)=NC(=O)C(Cl)(Cl)Cl,0.0
62414,CO-ADD:0137591,-1.4,CN1C=C(NC(C2=CC(NC(C3=CC=C(/C=C/C4=CN=C(C=CC=C5)C5=C4)C=C3)=O)=CN2C)=O)C=C1C(NCCN6CCC(OCCOC)CC6)=O,0.0
62415,CO-ADD:0256109,-1.4,c1(c(O)c(\C=N/Nc(nc(Nc(cc2)ccc2F)nc3N(C)C)n3)cc(c1)[N+](=O)[O-])[N+](=O)[O-].Cl,0.0
62416,CO-ADD:0255820,-1.4,C(=O)(Nc(cc1)ccc1OCCCCC)CC(=O)Nc(cc2)ccc2OCCCCC,0.0
62417,CO-ADD:0256708,-1.4,[N+](=O)([O-])c(ccc(c1\C=N\c(c2)c(ccc2C(F)(F)F)Oc3cccc(F)c3)O)c1,0.0
62418,CO-ADD:0250041,-1.4,c1(sccn1)NC(=O)CCN(CC2)CCN2Cc3ccccc3,0.0
62419,CO-ADD:0249884,-1.4,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cccn3)c3)c4sc(c5c4C#N)CCCCC5,0.0
62420,CO-ADD:0253573,-1.4,N(CN(CC1)CCN1c(cccc2C(F)(F)F)c2)(N=C(N3c4ccccc4)COc5ccccc5)C3=S,0.0
62421,CO-ADD:0283265,-1.4,c1(cnn2c3ccccc3)c2ncnc1N(CC4)CCN4C\C=C\c5ccccc5,0.0
62422,CO-ADD:0283123,-1.4,C(C(OC)=O)(C1c2ccc(cc2)OCCC)=C(C)NC(CC(c3ccc(cc3)OC)CC4=O)=C14,0.0
62423,CO-ADD:0283163,-1.41,c1(c2c(sc1NC(=O)c3ccccc3F)CCC2)C(=O)N4CCCCC4,0.0
62424,CO-ADD:0278514,-1.41,c12c(nnc(SC(CC)C(=O)Nc3sc(c4c3C(OCC)=O)CCCC4)n1)c5c(cccc5)n2Cc6ccccc6,0.0
62425,CO-ADD:0283804,-1.41,C1(C)(C(=O)Nc2sccn2)CC1(Br)Br,0.0
62426,CO-ADD:0284292,-1.41,c1(Sc2ccc(\C=N\NC(CCCCCCC)=O)o2)sc3c(ccc(OCC)c3)n1,0.0
62427,CO-ADD:0257664,-1.41,C(=O)(c1cccc(C)c1)N(CC)c2ccccc2C,0.0
62428,CO-ADD:0258957,-1.41,C(C(OCCOc1ccccc1)=O)(C(c(cc2OC)cc(c2O)Cl)N3)=C(C)N(C3=O)C,0.0
62429,CO-ADD:0257802,-1.41,C1(C2c3ccc(cc3)OCC(O)=O)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
62430,CO-ADD:0257396,-1.41,c1(C(=O)N([H])\N=C\c2cc(Br)ccc2OCc3ccccc3)nonc1N,0.0
62431,CO-ADD:0257526,-1.41,C(=N/c(cc1)ccc1F)(/SC=C2c(cc3)ccc3c4ccccc4)\N2CCc5ccccc5.Br,0.0
62432,CO-ADD:0278295,-1.41,n1(CC=C)c(COc2ccccc2C)nnc1S,0.0
62433,CO-ADD:0278743,-1.41,N1(c2ccc(c(C)c2)C)C(c3ccc(cc3)OCc4ccccc4Cl)Nc(c5C1=O)cccc5,0.0
62434,CO-ADD:0284601,-1.41,c12c(nnc(SCC(=O)NC(C)c3ccccc3)n1)c4c(cccc4)n2CCC,0.0
62435,CO-ADD:0283842,-1.41,C(=C/c(cc1)ccc1OCC(OCCSC)=O)(/C2=O)\Sc(c23)cccc3,0.0
62436,CO-ADD:0278536,-1.41,c1(C(=O)OCc2ccccc2)c(C)[nH]c(C(OCC)=O)c1C,0.0
62437,CO-ADD:0283140,-1.41,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c(cccc4C(F)(F)F)c4)\SC=C1c5ccc(cc5)CC.Br,0.0
62438,CO-ADD:0249900,-1.41,c1(N(CC2)CCO2)nc(Oc3ccc(cc3OC)\C=C(/C#N)\c4[nH]c(c5n4)cccc5)nc(Nc6ccc(cc6Br)C)n1,0.0
62439,CO-ADD:0253592,-1.41,c(cc(cc1C(=O)Nc2c(OC)cc(c(OC)c2)Cl)[N+](=O)[O-])([N+](=O)[O-])c1Nc(cc3)ccc3Oc4ccccc4,0.0
62440,CO-ADD:0256485,-1.41,C(C(N)=O)(C(N)=O)Cc(c(OCCCC)ccc1C(C)=O)c1,0.0
62441,CO-ADD:0250019,-1.41,C(/C=C(O1)c2ccccc2)(\C1=O)=C/c3c(cccc3Cl)Cl,0.0
62442,CO-ADD:0255798,-1.41,C1(C(OCCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)Cl)=O,0.0
62443,CO-ADD:0253674,-1.41,C1(C(=O)OC2CCCC2)=C(C)NC(NC1c3cccc(Oc4ccccc4)c3)=O,0.0
62444,CO-ADD:0248258,-1.41,c1(nc(c2n1CC(=O)N\N=C/c3cc(Br)ccc3OCc4ccccc4)cccc2)c5nonc5N,0.0
62445,CO-ADD:0248222,-1.41,N1(c2ccc(cc2)Cl)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4sccn4,0.0
62446,CO-ADD:0255188,-1.41,C(=O)(c1ccccc1C)N(CC2)CCO2,0.0
62447,CO-ADD:0252951,-1.41,S(CCCCCCCCCC)(=O)(=O)N\N=C\c(cc1)ccc1[N+](=O)[O-],0.0
62448,CO-ADD:0247902,-1.41,C(C(=O)OC1CCCC1)(C2c3ccc(cc3)Br)=C(C)NC(CCCC4=O)=C24,0.0
62449,CO-ADD:0247394,-1.41,C1(C(OCC)=O)=C(CSc2ccccn2)NC(=O)N1,0.0
62450,CO-ADD:0248099,-1.41,N(C(=O)CC(N1)=O)=C1SCC(=O)Nc2ccccc2[N+](=O)[O-],0.0
62451,CO-ADD:0252467,-1.41,n1(c(C)cc(C)n1)C(=O)c2c(C)cc(c(F)c2)F,0.0
62452,CO-ADD:0249108,-1.41,C(C(OCC)=O)(C1c2ccc(Br)s2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
62453,CO-ADD:0248874,-1.41,C(=C\c1cc(Br)ccc1OCc2ccccc2)(/C3=O)\C(=O)c(c34)cccc4,0.0
62454,CO-ADD:0249050,-1.41,c(Nc1ccccc1)(nc(N\N=C\c(cc2Br)cc(c2O)Br)nc3Nc4ccccc4)n3,0.0
62455,CO-ADD:0252559,-1.41,c1(cc(cc(SNC2=O)c12)[N+](=O)[O-])[N+](=O)[O-],0.0
62456,CO-ADD:0249663,-1.41,c1(N2CCC(CC2)C)nc(N\N=C\c(cc3)ccc3OCc4ccc(cc4Cl)Cl)nc(Nc5cccc(C)c5C)n1,0.0
62457,CO-ADD:0252363,-1.41,C(=O)(c1ccccn1)N\N=C(/Cc2ccccc2)\c(cc3)ccc3c4ccccc4,0.0
62458,CO-ADD:0254787,-1.41,n1c(N2CCCC2)nc(nc1N(CC3)CCO3)N\N=C\c(ccc4c5ccc(cc5Cl)Cl)o4,0.0
62459,CO-ADD:0254600,-1.42,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N6CCCCC6)n4.Br,0.0
62460,CO-ADD:0248912,-1.42,c12c(Oc(cccc3)c3N1)nc4c(cccc4)n2,0.0
62461,CO-ADD:0248016,-1.42,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C/c(cc(Br)cc6Br)c6O)n1,0.0
62462,CO-ADD:0252720,-1.42,N1=C(c2c3cccc2)c(c(C(=O)N1c4ccccc4)ccc5N6CCCCCC6)c5C3=O,0.0
62463,CO-ADD:0252670,-1.42,c1(\N=C\c(cc2)ccc2[N+](=O)[O-])sc3c(ccc(OC)c3)n1,0.0
62465,CO-ADD:0137569,-1.42,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC=NC=C3)=O)C=C1C(NC4=CN(CCCCl)C(C(NCCN5CCOCC5)=O)=C4)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
62466,CO-ADD:0253363,-1.42,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cc4)ccc4OCCCC,0.0
62467,CO-ADD:0253387,-1.42,[N+](=O)([O-])c(cc1)ccc1\C=C(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3C,0.0
62468,CO-ADD:0255385,-1.42,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc5c(ccc(c6Cl)Cl)c6)o5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
62469,CO-ADD:0256816,-1.42,c1(OC(=O)C=C2C)c2cc(CC)c(O)c1,0.0
62470,CO-ADD:0253484,-1.42,C(C#N)(C1c(ccc(c2CN(CC3)CCO3)OC)c2)=C(N)N(C(CC(C)(C)CC4=O)=C14)c5ccccc5,0.0
62471,CO-ADD:0253961,-1.42,c1(SCC(=O)Nc(ccc(c2s3)nc3SC)c2)sc4c(ccc(c4)\N=C\c5c(cccc5Cl)F)n1,0.0
62472,CO-ADD:0284020,-1.42,S(=O)(=O)(NC1CCCC1)c(c(C)ccc2S(=O)(=O)c(cccc3S(=O)(=O)NC4CCCC4)c3)c2,0.0
62473,CO-ADD:0283157,-1.42,C(c(cc1)ccc1C#CC(C)(C)O)(N(CC2)CCO2)N(CC3)CCO3,0.0
62474,CO-ADD:0283997,-1.42,C(C(OCCCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4ccccc4OCc5ccccc5,0.0
62475,CO-ADD:0278470,-1.42,c(c1c2ccccc2)(C3c4cc(OC)ccc4OC)c([nH]n1)OC(N)=C3C#N,0.0
62476,CO-ADD:0283023,-1.42,n1(nnc(C(=O)OC(C)C)c1CN2CCCCCC2)c3nonc3N,0.0
62477,CO-ADD:0283160,-1.42,N1(c2ccc(cc2)OCCCC)C(=O)C(CC1=O)NCc(cc3)ccc3S(N)(=O)=O,0.0
62478,CO-ADD:0257542,-1.42,N1(N=C(CC1(C)O)C)C(=O)c2cc(c3o2)cccc3,0.0
62479,CO-ADD:0258006,-1.42,n1(c2ccccc2)c(SCc(nc(N)nc3Nc4ccccc4)n3)nnc1c(cc5)ccc5C(C)(C)C,0.0
62480,CO-ADD:0258000,-1.42,c12c(nnc(SCC(=O)Nc3ccccc3C#N)n1)c4c(cccc4)n2C,0.0
62481,CO-ADD:0258008,-1.42,C(=O)(c(cc1)ccc1C(C)(C)C)NCC(=O)OCC(c2ccccc2)=O,0.0
62482,CO-ADD:0284228,-1.42,c1(cnn(C)c1C(=O)Nc2ccccc2C(OC)=O)[N+](=O)[O-],0.0
62483,CO-ADD:0257562,-1.42,C1=C(NCc(cc2)ccc2OC)C3(OC1=O)CCCCC3,0.0
62484,CO-ADD:0283078,-1.42,c1(c2ccccc2OC)nnc(NC(=O)c3ccccc3Cl)s1,0.0
62485,CO-ADD:0278462,-1.42,c1(SCC(=O)c2ccc(cc2)OC)nc(C)cc(C)c1C#N,0.0
62486,CO-ADD:0278341,-1.42,N1(c2cccc(Cl)c2Cl)C(=O)\C(=C\c(ccc(c34)OCO3)c4)\C(NC1=S)=O,0.0
62487,CO-ADD:0279173,-1.42,[N+](=O)([O-])c1ccc(cc1)N\N=C(/C(C)=O)\Sc2cccc(cccn3)c23,0.0
62488,CO-ADD:0284078,-1.42,c12c(nnc(SCC(=O)Nc3ncccn3)n1)c4c(cccc4)n2CC,0.0
62489,CO-ADD:0279190,-1.42,C(=O)(c1cccc(Cl)c1)N\N=C(/CC)\Cc2ccccc2,0.0
62490,CO-ADD:0249917,-1.42,n12c(S\C(=C\c(ccc3c4ccc(cc4)Cl)o3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
62491,CO-ADD:0256769,-1.42,c1(N([H])c(cc2)ccc2OC)nc(N([H])\N=C\c3cc(Br)ccc3OCc4ccc(cc4Cl)Cl)nc(N([H])Cc5ccco5)n1,0.0
62492,CO-ADD:0255995,-1.42,c1(SCC(N)=O)[nH]c(c2n1)ccc(C)c2,0.0
62493,CO-ADD:0253670,-1.43,S(=O)(=O)(N1CCCC1C(=O)Nc2sc(c(C)c2C(OCC)=O)C)c3cccc(nsn4)c34,0.0
62494,CO-ADD:0256038,-1.43,c(cc(C(OC)=O)cc1[N+](=O)[O-])([N+](=O)[O-])c1N(CC2)CCN2c3ccccc3OC,0.0
62495,CO-ADD:0255463,-1.43,S(=O)(=O)(c1ccc(cc1)Br)N(C)CP(OCC)(OCC)=O,0.0
62496,CO-ADD:0248063,-1.43,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2[N+](=O)[O-])CC(=O)N\N=C(/CCCCCC3)\C3,0.0
62497,CO-ADD:0253035,-1.43,N1(C(=O)c2cccc(Cl)c2)C(O)(c3ccc(cc3)C)CC(C(F)(F)F)=N1,0.0
62498,CO-ADD:0252438,-1.43,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C(\c2c(N3)cccc2)/C3=O)c4ccccc4[N+](=O)[O-],0.0
62499,CO-ADD:0253121,-1.43,C(=O)(Nc1cccc(Cl)c1)C(=O)NCC(C)C,0.0
62500,CO-ADD:0248127,-1.43,c1(C#N)c(SC)nsc1N\N=C\c2ccccc2F,0.0
62501,CO-ADD:0248076,-1.43,C(=O)(NNC(=O)\C=C\c1ccccc1)C(=O)Nc2cccc(Cl)c2C,0.0
62502,CO-ADD:0247975,-1.43,N1(CCc2ccccc2)C(=O)CC(N(CC3)CCS3)C1=O,0.0
62503,CO-ADD:0254375,-1.43,n1c(c2ccc(cc2)C)c(cn1c3ccccc3)\C=N/NC(=O)C(CC)Oc4ccc(c5c4Br)cccc5,0.0
62504,CO-ADD:0255091,-1.43,N1C(=O)NC=C(COCc2ccccc2)C1=O,0.0
62505,CO-ADD:0249581,-1.43,N1(CC2CCCCC2)\C(=N\c3ccccc3)\SC(CC(=O)Nc4ccc(cc4C)C)C1=O,0.0
62506,CO-ADD:0249516,-1.43,n1(nnc(C(=O)N\N=C\c2cccc(OC)c2OC)c1CN(CC3)CCO3)c4nonc4N,0.0
62507,CO-ADD:0249523,-1.43,n1(nnc(C(=O)N\N=C\c2cccc(OC)c2)c1CN3CCCCCC3)c4nonc4N,0.0
62508,CO-ADD:0249781,-1.43,N1(c2ccccc2[N+](=O)[O-])C(=O)C(C(C1=O)C34\C=N\c5ccc(cc5C)C)C(c(c36)cccc6)c(c47)cccc7,0.0
62509,CO-ADD:0252541,-1.43,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc4OC)cc(c4OCC=C)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
62510,CO-ADD:0247653,-1.43,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2OCCCCCCCC,0.0
62511,CO-ADD:0254865,-1.43,C1(=C(CCC(C)(C)C1=O)OC(=C23)CCC(C)(C)C2=O)C3c4ccc(cc4)OC,0.0
62512,CO-ADD:0252358,-1.43,N1=C(c2ccc(cc2)Br)NC(=O)C=C1c3ccccc3,0.0
62513,CO-ADD:0252230,-1.43,c1(C#N)c2c(sc1\N=C\c(ccc(c3[N+](=O)[O-])C)c3)CCCC2,0.0
62514,CO-ADD:0259380,-1.43,c1(OC(N)=C(C2c3cccc(OC)c3)C#N)c2c(n[nH]1)CCC,0.0
62515,CO-ADD:0259413,-1.43,n1(nnc(C(OC)=O)c1CSC2=NCCS2)c3nonc3N,0.0
62516,CO-ADD:0259374,-1.43,c(c1c2ccccc2)(C3c4ccc(c5c4)OCO5)c([nH]n1)OC(N)=C3C#N,0.0
62517,CO-ADD:0277780,-1.43,c1(C#N)c2c(sc1\N=C\c3cccc(OC)c3OC)CCC2,0.0
62518,CO-ADD:0277524,-1.43,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCc(cc5)ccc5C(C)(C)C)c3,0.0
62519,CO-ADD:0277512,-1.43,C(=O)(NC(C)C)C(NCCOC=C)=O,0.0
62520,CO-ADD:0256254,-1.43,N(C(=O)COC(CSc1[nH]c(c2n1)cccc2)=O)(c3c4cccc3)c5c(S4)cccc5,0.0
62521,CO-ADD:0255652,-1.43,S(=O)(=O)(N(CC)CC)c1c(C)ccc(c1)C(=O)Oc(cccc2NC(=O)c(cc3)ccc3[N+](=O)[O-])c2,0.0
62522,CO-ADD:0257119,-1.43,c1(NC(=O)C(F)(F)F)c(SC)nsc1Br,0.0
62523,CO-ADD:0253853,-1.43,n(Cc1ccccc1Cl)(c2c(c3\C=N\Nc4nc(C)cc(COC)c4C#N)cccc2)c3,0.0
62524,CO-ADD:0255906,-1.43,N1(c2ccc(cc2)OCC)C(=O)\C(\C=C1c3ccccc3)=C\c(ccc4c5ccc(cc5)Br)o4,0.0
62525,CO-ADD:0253988,-1.43,S1(=O)(=O)c(cccc2)c2C(SCCOC(=O)\C=C\c3ccccc3)=N1,0.0
62526,CO-ADD:0283992,-1.43,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)OC)C3c5cc6c(cc5Br)OCO6,0.0
62527,CO-ADD:0283056,-1.43,s1c(c(cc2)ccc2C(C)(C)C)nnc1NC(CC)=O,0.0
62528,CO-ADD:0279182,-1.43,n(c(c1ccccc1)c2)c3c(c2C(=O)Nc(cc4)ccc4OCC)cccc3Cl,0.0
62529,CO-ADD:0277472,-1.43,n1c(c2ccc(c(OC)c2)OC)[nH]c(c3ccccc3)c1c4ccc(cc4)Sc5ccccc5,0.0
62530,CO-ADD:0279040,-1.43,n1cn[nH]c1SCC(=O)N\N=C(/C)\c2cccs2,0.0
62531,CO-ADD:0284043,-1.43,c1(nnc(COc(cc2)ccc2C(C)(C)C)s1)NC(=O)c(cc3)ccc3C(C)(C)C,0.0
62532,CO-ADD:0257850,-1.43,c1(c(Cl)ccc(c1)c2ccc(\C=C(\C#N)/C#N)o2)C(O)=O,0.0
62533,CO-ADD:0258377,-1.43,c1(Sc2ccc(\C=N\c(ccc(c34)cccc3)c4)o2)sc5c(ccc(OCC)c5)n1,0.0
62534,CO-ADD:0258044,-1.43,n(c(cc(n1)OC)NC(CCC(OCCCC(F)(F)C(F)(F)F)=O)=O)c1OC,0.0
62535,CO-ADD:0259734,-1.43,c1(N\N=C\c(ccc(c2OCC)O)c2)c(F)c(F)c(c(F)c1F)F,0.0
62536,CO-ADD:0259242,-1.43,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2ccc(c(OC)c2)OC,0.0
62537,CO-ADD:0259244,-1.43,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c(cccc2[N+](=O)[O-])c2,0.0
62538,CO-ADD:0283369,-1.43,N1(C2CCCCC2)CCC(N)C1.Cl.Cl,0.0
62539,CO-ADD:0278944,-1.43,c12c(ccc(NC(CC)=O)n1)c(C)cc(C)n2,0.0
62540,CO-ADD:0278195,-1.43,c1(nonc1N)\C(\N(CC2)CCN2c(cc3)c(Cl)cc3[N+](=O)[O-])=N\OC(C)=O,0.0
62541,CO-ADD:0278810,-1.43,N1(c2ccccc2OCC)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
62542,CO-ADD:0278570,-1.44,[N+](=O)([O-])\C(\C)=C\c(cc1OC)cc(c1O)Br,0.0
62543,CO-ADD:0277541,-1.44,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
62544,CO-ADD:0255949,-1.44,S(=O)(=O)(Nc1cccc(Br)c1)c2c(Br)ccc(c2)C(=O)Nc(cc3)ccc3Br,0.0
62545,CO-ADD:0253704,-1.44,C1(C(OC)=O)=C(C)N(C(=O)NC1c2cc3c(cc2Br)OCO3)C,0.0
62546,CO-ADD:0256885,-1.44,c1(\C=N\c2ccccc2)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
62547,CO-ADD:0257085,-1.44,N(CN1CCC(CC1)C)(N=C(N2c3ccccc3)COc(cc4)ccc4C5CCCCC5)C2=S,0.0
62548,CO-ADD:0256963,-1.44,c1(OC)c(OC)cc(cc1OC)CNC(=O)c2cc(OC)cc(OC)c2,0.0
62549,CO-ADD:0255417,-1.44,[N+](=O)([O-])c1cccc(c1C)C(=O)Nc2ccccc2O,0.0
62550,CO-ADD:0254559,-1.44,c1(C2c3ccc(cc3)OCC)c(CCN2C(=O)c4cccs4)c5c(cccc5)[nH]1,0.0
62551,CO-ADD:0254542,-1.44,N1c(ccc(c2)C(OCC)=O)c2C3C(CC=C3)C1C(O)=O,0.0
62552,CO-ADD:0252455,-1.44,c1(NC(COC(=O)c(cc2)ccc2N3C(=O)CCC3=O)=O)sc(c(ccc4C(OCC)=O)n1)c4,0.0
62553,CO-ADD:0247545,-1.44,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
62554,CO-ADD:0247365,-1.44,C(C(OCC)=O)(C1c2ccccc2)=C(C)N(C(SC)=N1)C,0.0
62555,CO-ADD:0247369,-1.44,c1(c2ccccc2Cl)nnn(CC(=O)N\N=C\c(ccc(c3OC)OC)c3)n1,0.0
62556,CO-ADD:0252659,-1.44,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CCCCC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)=O,0.0
62557,CO-ADD:0252598,-1.44,N(/c(cccc1C(C)=O)c1)=C\c2ccccc2O,0.0
62558,CO-ADD:0249792,-1.44,n1(\N=C\c(ccc(c2[N+](=O)[O-])N3CCC(CC3)C)c2)nnnc1N,0.0
62559,CO-ADD:0249654,-1.44,c1(N(CC2)CCO2)nc(N\N=C\c(cc(I)cc3I)c3O)nc(Nc4c(Br)cc(c(Cl)c4)C)n1,0.0
62560,CO-ADD:0254452,-1.44,[N+](=O)([O-])c(cc1)ccc1C(=O)O\N=C(\CC2)/c(ccc(c3C)OC)c3C2,0.0
62561,CO-ADD:0249619,-1.44,N1(c2ccc(cc2)OC)C(c(cccc3[N+](=O)[O-])c3)Nc(c4C1=O)cccc4,0.0
62562,CO-ADD:0249201,-1.44,c12c(c3c(NC(c4ccc(cc4)OCc5ccccc5)O1)cccc3)nnc(SCCC)n2,0.0
62563,CO-ADD:0249124,-1.44,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)NC(CSc4sc(c5n4)cccc5)=O)n1,0.0
62564,CO-ADD:0254606,-1.44,c1(C#N)c2c(sc1\N=C\c(ccc(c3OC)OCc4cccc(cccc5)c45)c3)CCCC2,0.0
62565,CO-ADD:0252299,-1.44,C(/C(=O)c1ccc(cc1)Cl)=C(\O)/C(=O)N\N=C(/c2ccccc2)\c3ccccc3,0.0
62566,CO-ADD:0248852,-1.44,N1(c(cc2)ccc2C(OCC)=O)C(=O)\C(\C=C1c3ccccc3)=C\c(cc4)ccc4Cl,0.0
62567,CO-ADD:0248200,-1.44,N1(c2ccc(c(C)c2)C)C(=O)\C(\SC1=S)=C\c3ccco3,0.0
62568,CO-ADD:0249608,-1.44,N1(\N=C\c(ccc(c2Br)OC)c2)C(=O)c3c(c4C1=O)c(c(CC5)cc3)c5cc4,0.0
62569,CO-ADD:0255201,-1.44,c1(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)sc3c(ccc(c3)\N=C/c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)n1,0.0
62570,CO-ADD:0259941,-1.44,C(=N\c(cc1)ccc1Cl)(/SC(C2=O)CC(=O)Nc(cc3)ccc3C(O)=O)\N2C,0.0
62571,CO-ADD:0277529,-1.44,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)NC4CC4)c2)sc5c(ccc(OCC)c5)n1,0.0
62572,CO-ADD:0283659,-1.44,N1(CC(CC1=O)C(O)=O)c2ccccc2C(C)C,0.0
62573,CO-ADD:0283675,-1.44,C1(=NCCNC(C(F)(F)F)=C1)c2cc(Cl)ccc2O,0.0
62574,CO-ADD:0284222,-1.44,n1(c(C)c(c(C)n1)Br)C(=O)c2nn(cc2[N+](=O)[O-])C,0.0
62575,CO-ADD:0258863,-1.44,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c4ccc(cc4Cl)Cl)\C1=O,0.0
62576,CO-ADD:0256555,-1.45,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCc5ccccc5)c3)nnc1c6ccccc6,0.0
62577,CO-ADD:0256227,-1.45,c1(c(N(C)C)ccc2C(c3ccccc3)=O)c2cccc1N(C)C,0.0
62578,CO-ADD:0256476,-1.45,N1(c(ccc(c2s3)nc3SCC(=O)NCC4CCCO4)c2)C(=O)c5c(cccc5)C1=O,0.0
62579,CO-ADD:0253412,-1.45,C(C(OC)=O)(=C1C)\C(=C\c2cccc(Cl)c2)\C(N1C)=O,0.0
62580,CO-ADD:0253692,-1.45,[N+](=O)([O-])c(c(C)c(\N=C\c(cc1)ccc1[N+](=O)[O-])cc2[N+](=O)[O-])c2,0.0
62581,CO-ADD:0253413,-1.45,c1(n2cccc2\C=N\O)sc(c3c1C#N)CCCC3,0.0
62582,CO-ADD:0284059,-1.45,N1(c2cccc(c2)C(OC)=O)C(=O)C(C(C1=O)C34C=O)C(C)(c5c3cccc5)c(c46)cccc6,0.0
62583,CO-ADD:0283387,-1.45,N1(c2nccc(Cl)c2)C(=O)C(C(C34)C1=O)C(c5c3cccc5)c(c46)cccc6,0.0
62584,CO-ADD:0278930,-1.45,C1(C2c(cc3)ccc3C#CC(C)(C)O)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
62585,CO-ADD:0283341,-1.45,C1(NC(C)=O)(NC(C)=O)C(C)CN(C(C)C1)C,0.0
62586,CO-ADD:0283389,-1.45,C(C1c2ccccc2)(C(C1C(O)=O)c3ccccc3)C(=O)Oc4cccc(cccc5)c45,0.0
62587,CO-ADD:0279004,-1.45,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)NCC4CCCO4,0.0
62588,CO-ADD:0257192,-1.45,c12c(nnc(SCC(=O)NC(SCC3=O)=N3)n1)c4c(cccc4)n2CC=C,0.0
62589,CO-ADD:0257240,-1.45,C1(C(=O)c(cc2)ccc2[N+](=O)[O-])=C(O)C(N(c3ccccc3)C1(O)C(OC)=O)=O,0.0
62590,CO-ADD:0277861,-1.45,C(=C\c(cc1)ccc1OC(=O)c2ccc(cc2)Cl)(/C3=O)\C(c4ccc(cc4)Cl)=NO3,0.0
62591,CO-ADD:0277591,-1.45,c1(cc(Br)cc(Br)c1O)C(=O)N\N=C\c(ccc(c2OCC)O)c2,0.0
62592,CO-ADD:0277567,-1.45,C1(=Cc2c(OC1=O)cccc2)c(csc3\C(=C(\CCCC4)/C4)\C#N)n3,0.0
62593,CO-ADD:0283033,-1.45,c1(c2c(cccc2Cl)Cl)nnc(ccc(cccc3)c34)n14,0.0
62594,CO-ADD:0284097,-1.45,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCCCCCCCCC)c1C,0.0
62595,CO-ADD:0284113,-1.45,N1(C(C)C\C(\C(C)C1)=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(OCC)=O,0.0
62596,CO-ADD:0250545,-1.45,c1(SCC(=O)NC2CC2)sc3c(ccc(c3)NC(=O)c4ccccc4F)n1,0.0
62597,CO-ADD:0253455,-1.45,n1(c(C)c(nn1)\C(\C)=N/N=C\c2cccc(cccc3)c23)c4nonc4N,0.0
62598,CO-ADD:0256185,-1.45,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc(OC)c(c4)OC)c4Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
62599,CO-ADD:0256276,-1.45,C(C#N)(C#N)(C1(C)OC2=N)C2(C#N)C(C=C1C(C)=O)(C)C,0.0
62600,CO-ADD:0255878,-1.45,N1(CN2CCC(CC2)C)N=C(N(C)C1=S)COc(cc3)ccc3C4CCCCC4,0.0
62601,CO-ADD:0255625,-1.45,N1(c2ccc(c(Cl)c2)Cl)C(c3ccc(cc3)Cl)CC(c4ccc(cc4)Cl)=N1,0.0
62602,CO-ADD:0252273,-1.46,C(C(OCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccccc3OCc4ccccc4,0.0
62603,CO-ADD:0247527,-1.46,N1(\N=C\c(cc2)ccc2I)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
62604,CO-ADD:0248159,-1.46,N(C(=O)C(CC)C(N1)=O)=C1SCC(=O)Nc2ccccc2,0.0
62605,CO-ADD:0253100,-1.46,N1(C(=O)c2c(cccc2)C1=O)c3sc(c(C)c3C#N)C(OCC)=O,0.0
62606,CO-ADD:0247577,-1.46,C(=O)(c1ccc(cc1)Br)Nc(cc2)ccc2c(cn3)cnc3c(cc4)ccc4NC(=O)c5ccc(cc5)Br,0.0
62607,CO-ADD:0252377,-1.46,B1(c2ccc(cc2)C)Nc3c(cccc3)N1,0.0
62608,CO-ADD:0247421,-1.46,c1(C#N)c(c2ccc(cc2)C)cc(nc1SCC(O)CN(CC3)CCO3)c4ccccc4,0.0
62609,CO-ADD:0252503,-1.46,n1c(c2ccccc2)cc(\N=C\c3ccccc3OC)n1c4ccccc4,0.0
62610,CO-ADD:0255046,-1.46,n1c(c2ccc(cc2)Cl)csc1Nc(cc3)ccc3Oc4ccccc4.Br,0.0
62611,CO-ADD:0247886,-1.46,c(Oc(cccc1N2C(=O)CCC2=O)c1)(c(F)c3F)c(F)c(c3Oc(cccc4N5C(=O)CCC5=O)c4)F,0.0
62612,CO-ADD:0249617,-1.46,n1(c2ccccc2)c(SCc3cccc(c4ccccc4)c3C)nnc1c5ccco5,0.0
62613,CO-ADD:0247512,-1.46,N1(\N=C\c2ccc(cc2OC)OC)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
62614,CO-ADD:0249343,-1.46,c1(SCC(=O)Nc2sccn2)nnnn1C,0.0
62615,CO-ADD:0254883,-1.46,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4Br)cc(c4O)Br)\C1=O,0.0
62616,CO-ADD:0248243,-1.46,C1(NC(CSc2sc3c(ccc(c3)\N=C\c4cc(Cl)ccc4O)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
62617,CO-ADD:0247507,-1.46,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)CN(CCc(c45)cccc4)C5,0.0
62618,CO-ADD:0258889,-1.46,N(C(=O)\C(\S1)=C\c(cc2)ccc2C(C)(C)C)=C1N(CC3)CCO3,0.0
62619,CO-ADD:0258913,-1.46,n1(C)c(c2ccccc2)cnc1S,0.0
62620,CO-ADD:0258769,-1.46,S1(=O)(=O)c(cccc2)c2C(N(CCC#N)NC(c3ccccc3)=O)=N1,0.0
62621,CO-ADD:0259171,-1.46,N1(c2ccccc2)C(=O)CC(N(CCc(ccc(c3OC)OC)c3)C(=O)\C=C\C(O)=O)C1=O,0.0
62622,CO-ADD:0258773,-1.46,N1c(ccc(c2)Cl)c2C3C(CC=C3)C1c(cccc4[N+](=O)[O-])c4,0.0
62623,CO-ADD:0277719,-1.46,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c(ccc(c5C6=O)C(N6)=O)c5)o4)\C1=O,0.0
62624,CO-ADD:0250378,-1.46,c1(c2ccco2)nc(n3c1\N=C\c4cccc(Cl)c4Cl)cccc3,0.0
62625,CO-ADD:0250581,-1.46,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3scc(Br)c3)c4sc(c5c4C#N)CCCCC5,0.0
62626,CO-ADD:0250621,-1.46,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c2ccccc2OCc3ccccc3,0.0
62628,CO-ADD:0256714,-1.46,n(CC(=O)N(CC1)CCO1)(c2)c3c(n2)cc(C)c(C)c3,0.0
62629,CO-ADD:0253969,-1.46,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1.O,0.0
62630,CO-ADD:0256918,-1.47,C12(\C=N/c3cc(C)ccc3C)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OC)=O)c(cccc7)c27,0.0
62631,CO-ADD:0253922,-1.47,N1(CC(CC1C(=O)Nc2ccccc2OC)O)C(=O)Oc3ccccc3,0.0
62632,CO-ADD:0256680,-1.47,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c3cc(OC)ccc3OC)\N2,0.0
62633,CO-ADD:0253408,-1.47,c1(C#N)c(C(C)(C)C)cn(C)c1NC(C)=O,0.0
62634,CO-ADD:0278974,-1.47,N1(NC(=O)c2ccccc2OC)C(=O)C(C3C1=O)C(C=C4)C5C(C5)C34,0.0
62635,CO-ADD:0279144,-1.47,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(ccc4c(cc5Cl)c(OC)cc5[N+](=O)[O-])o4)\C1=O,0.0
62636,CO-ADD:0284719,-1.47,C(N(C)C(C)=O)(C(=O)c1c(C2=O)cccc1)=C2N3CCCCCC3,0.0
62637,CO-ADD:0283348,-1.47,c(C(O)=O)(c(cc(OC)cc1)c1n2Cc3ccccc3)c2C,0.0
62638,CO-ADD:0278931,-1.47,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3CCNC(=O)C(=O)Nc(ccc(c4Cl)C)c4,0.0
62639,CO-ADD:0278995,-1.47,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)OC)CC(=O)N(CC3)CCO3,0.0
62640,CO-ADD:0278395,-1.47,c1(nncs1)NC(CSc2nc(C)cc(C)n2)=O,0.0
62641,CO-ADD:0283613,-1.47,S(=O)(=O)(c(cccc1C(=O)Nc(cccc2C(O)=O)c2)c1)N3CCCc(cccc4)c34,0.0
62642,CO-ADD:0283621,-1.47,c1(SCC(=O)Nc(cc2)ccc2[N+](=O)[O-])sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
62643,CO-ADD:0278602,-1.47,N1(C(=O)c2cccc(C)c2)N=C(CC1(O)c(cccc3[N+](=O)[O-])c3)C(F)(F)F,0.0
62644,CO-ADD:0278188,-1.47,C(C(OC)=O)(=C1C)\C(=C\c(ccc(c2OC)OCC=C)c2)\C(N1)=O,0.0
62645,CO-ADD:0278212,-1.47,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3OCC(=O)N(CC4)CCO4)=N1,0.0
62646,CO-ADD:0278228,-1.47,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc(cc5)ccc5C(C)C)c3)nnc1c6ccccc6,0.0
62647,CO-ADD:0278789,-1.47,C(/S\C(\C1=O)=C/c(ccc2c3ccc(cc3Cl)Cl)o2)(=N/C(C)=O)\N1,0.0
62648,CO-ADD:0278246,-1.47,C(=CC(\C=C\c1cccc(O)c1)=NC2=O)(C(F)(F)F)N2,0.0
62649,CO-ADD:0256442,-1.47,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(=O)c(cccn2)c2)Br,0.0
62650,CO-ADD:0249903,-1.47,N1(c2ccc(cc2)OCC)C(=O)CC(N(Cc3ccco3)C(CCC(O)=O)=O)C1=O,0.0
62651,CO-ADD:0255991,-1.47,N1(CCc2ccccc2)C(=O)C(C3C1=O)C4CC3C=C4,0.0
62652,CO-ADD:0256178,-1.47,C(/c1c2cccc1)(\c3c2cccc3)=N/NC(=O)c4cccc(C)c4,0.0
62653,CO-ADD:0255522,-1.47,N1(N=C(CC1(O)c2ccc(cc2)OC)CC)C(=O)c(cccn3)c3,0.0
62654,CO-ADD:0253712,-1.47,C(=O)(N\N=C(\C)/CCc1ccccc1)C(=O)NCc(cc2)ccc2Cl,0.0
62655,CO-ADD:0252457,-1.47,N(C(=O)C(CC)C(N1)=O)=C1SCC(=O)NC2CCCCC2,0.0
62656,CO-ADD:0247972,-1.47,C(=C/c(cc1)ccc1F)(/NC(C)=O)\C(=O)OCc2ccccc2,0.0
62657,CO-ADD:0252907,-1.47,C(=O)(c1ccccc1C)N(CC2)CCN2c3cccc(Cl)c3,0.0
62658,CO-ADD:0252897,-1.47,C(=N\c1cccc(C)c1)(/S\C(\C2=O)=C\c(cc3)ccc3OC)\N2,0.0
62659,CO-ADD:0248238,-1.47,c1(SCC(NCCCC)=O)sc2c(ccc(c2)\N=C\c3c(O)ccc(cccc4)c34)n1,0.0
62660,CO-ADD:0247997,-1.47,n1(nnc(C(OCC)=O)c1c(cccc2[N+](=O)[O-])c2)c3nonc3N,0.0
62661,CO-ADD:0248193,-1.48,c1(cc(ccc1N(CC2)CCN2C(c3ccccc3)=O)C(F)(F)F)[N+](=O)[O-],0.0
62662,CO-ADD:0247911,-1.48,N1(c(cc2)ccc2C(=O)Nc(cc3)ccc3OC)C(=O)c4c(cccn4)C1=O,0.0
62663,CO-ADD:0248864,-1.48,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3,0.0
62664,CO-ADD:0247696,-1.48,[N+](=O)([O-])c1ccc(cc1)CN(Cc(cc2)ccc2[N+](=O)[O-])c3ccc(cc3Br)C,0.0
62665,CO-ADD:0252254,-1.48,N(c1c(ccc(OC(C)=O)c1)C(O2)=O)=C2c(cc3)ccc3[N+](=O)[O-],0.0
62666,CO-ADD:0249196,-1.48,N1(C(=O)c(cccn2)c2)N=C(CC1(O)c(cccn3)c3)C(F)(F)F,0.0
62667,CO-ADD:0247522,-1.48,N1(\N=C\c2cccc(Br)c2)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
62668,CO-ADD:0254505,-1.48,N1c(ccc(c2)Cl)c2C3C(CC=C3)C1c(cc4)ccc4C(OC)=O,0.0
62669,CO-ADD:0137561,-1.48,O=C(NCCC(N)=N)C1=CC(NC(C2=CC(NC(C3=CN=C(C=CC=C4)C4=C3)=N)=CN2C)=O)=CN1C.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
62670,CO-ADD:0277659,-1.48,c12c(nnc(SCC(=O)Nc3sc(c4c3C(OCC)=O)CCCC4)n1)c5c(cccc5)n2CCc6ccccc6,0.0
62671,CO-ADD:0277539,-1.48,N1(c(ccc(c2s3)nc3SCC(=O)NC4CCCCC4)c2)C(=O)c5c(cccc5)C1=O,0.0
62672,CO-ADD:0277563,-1.48,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(c(F)c3)OC)\N2CCO.Br,0.0
62673,CO-ADD:0277374,-1.48,n1c(c2ccc(cc2)Cl)csc1N\N=C\c3ccc(C)o3,0.0
62674,CO-ADD:0277648,-1.48,c(N(CC1)CCO1)(cc2C)c(F)cc2C(C)(O)C#Cc3ccccc3,0.0
62675,CO-ADD:0277496,-1.48,C1(C(OCCOC)=O)=C(C)NC(NC1c(cc2)cc(c2OC(F)F)OC)=O,0.0
62676,CO-ADD:0277760,-1.48,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(OC)c3)OCCO,0.0
62677,CO-ADD:0277952,-1.48,N1(C2c3ccccc3OC)C(S\C(=C\c(ccc(c45)OCO4)c5)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
62678,CO-ADD:0278017,-1.48,C(=C/c1cccc(OC)c1)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
62679,CO-ADD:0277729,-1.48,C(=N/c(cc1)ccc1Cl)(/N2)\c3c(CC2(C)C)cc(OC)c(OC)c3,0.0
62680,CO-ADD:0277597,-1.48,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(c(Br)c3)OC)\N2CCO.Br,0.0
62681,CO-ADD:0260113,-1.48,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c4ccccc4)\SC=C1c5ccc(c(C)c5)C.Br,0.0
62682,CO-ADD:0254018,-1.48,N(c1cccc(c1)C(OC)=O)(C(=O)C(C23)C(C)(C=C4)OC24C)C3=O,0.0
62683,CO-ADD:0250546,-1.48,N1(c2ccc(cc2)OCC)C(c3cccc(Br)c3)Nc(c4C1=O)cccc4,0.0
62684,CO-ADD:0253411,-1.48,C(C(OCC)=O)(=C1C)\C(=C\c2ccco2)\C(N1c3ccccc3)=O,0.0
62685,CO-ADD:0253643,-1.48,C1(C#N)(C#N)C(c2ccccc2F)C3C(C(C#N)=C1N)=CC(CC4)N(C)C34.C(=O)O,0.0
62686,CO-ADD:0255441,-1.48,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(O)C(N2c(cccc4C(F)(F)F)c4)=O,0.0
62687,CO-ADD:0255815,-1.48,N1(C2=NCCS2)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
62688,CO-ADD:0253514,-1.48,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(c(cccc3)c3n4Cc5ccccc5)c4.Cl,0.0
62689,CO-ADD:0253267,-1.48,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c4cccc(OC)c4OCc5ccc(cc5Cl)Cl)\C1=O,0.0
62690,CO-ADD:0249918,-1.48,c1(c2ccco2)nc(n3c1\N=C\c(c(cccc4)c4n5Cc6ccccc6)c5)cccc3,0.0
62691,CO-ADD:0255885,-1.48,c1(SCc(cc2)ccc2C(O)=O)sc(c3n1)cccc3,0.0
62692,CO-ADD:0254042,-1.48,N1(CC)C(=O)\C(\SC1=S)=C/c(cc(I)cc2I)c2OC,0.0
62693,CO-ADD:0253531,-1.48,[N+](=O)([O-])c1ccccc1SN2CCCC2C(=O)Nc3ccc(cc3C)C,0.0
62694,CO-ADD:0283965,-1.48,C1(C(OCCSCC)=O)=C(C)NC(=C2C1c3cc4c(cc3Br)OCO4)CCCC2=O,0.0
62695,CO-ADD:0284750,-1.49,N(C(=O)CSc1nnc(N)s1)(c2c3cccc2)c4c(S3)cccc4,0.0
62696,CO-ADD:0284926,-1.49,S(N)(=O)(=O)c1ccc(cc1)NC(CSc(nnc2NC(c3ccccc3)=O)s2)=O,0.0
62697,CO-ADD:0283910,-1.49,C(=O)(c1ccc(cc1)OC)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3F,0.0
62698,CO-ADD:0284776,-1.49,C1(C(CC2c3ccccc3)=Nc4c(N2)cccc4)C(=O)c5c(cccc5)C1=O,0.0
62699,CO-ADD:0278869,-1.49,c(Cn(ccn1)c1)(cc2OC)c(OC)cc2Cn(ccn3)c3,0.0
62700,CO-ADD:0277430,-1.49,N1(C(=O)Cc2ccccc2)N=C(CC1(O)c3ccc(cc3)Br)C,0.0
62701,CO-ADD:0277462,-1.49,N1(CC(C)C)\C(=N\c(cccc2C(F)(F)F)c2)\SC=C1c3ccc(cc3)Cl.Br,0.0
62702,CO-ADD:0278405,-1.49,c(nc(c1ccco1)cc2C(F)(F)F)(c3Br)n2nc3C(=O)N(CC4)CCN4C(c5ccccc5)=O,0.0
62703,CO-ADD:0279093,-1.49,C(=O)(Nc(cc1)ccc1OC)CCN2CCC(CC2)C.Cl,0.0
62704,CO-ADD:0284846,-1.49,C12(C(CCN(C3)C1=Cc(cccc4)c4O2)C3)OC(C)C,0.0
62705,CO-ADD:0278215,-1.49,C(=O)(C(c1ccccc1)c2ccccc2)N(CC3)CCN3CCNC(=O)C(=O)Nc4ccccc4,0.0
62706,CO-ADD:0278806,-1.49,C(/C(C)=NN1c(ccc(c2C(O)=O)Cl)c2)(=C\c3cc(OC)ccc3OC)\C1=O,0.0
62707,CO-ADD:0278550,-1.49,N1=C(SCC(=O)Nc2sc(c(ccc3C(OCC)=O)n2)c3)NC(C(c4ccccc4)C1=O)=O,0.0
62708,CO-ADD:0278624,-1.49,n(\N=C\c(ccc(c1[N+](=O)[O-])N(CC2)CCN2Cc3ccccc3)c1)(c(C)nn4)c4C,0.0
62709,CO-ADD:0278986,-1.49,C(=C\c(ccc1c2ccc(cc2)F)o1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
62710,CO-ADD:0253154,-1.49,S(=O)(=O)(N1CCCCCC1)c2c(Cl)ccc(c2)C(=O)Nc3ccccc3C,0.0
62711,CO-ADD:0256153,-1.49,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)c4ccccc4c5ccccc5)cccc3,0.0
62712,CO-ADD:0255931,-1.49,c1(ccc(cc1OC)\C=N\c(ccc(c2C)C)c2)OC(C)=O,0.0
62713,CO-ADD:0257133,-1.49,c1(NC(Cc(cc2)ccc2OC)=O)sc(c3c1C#N)CCCC3,0.0
62714,CO-ADD:0253524,-1.49,C(CSCc(cc1)ccc1Br)(=O)NCc(cc2)ccc2C,0.0
62715,CO-ADD:0250638,-1.49,c1(\C=N\c(cc2)ccc2C(C)=O)c3c([nH]c1C)cccc3,0.0
62716,CO-ADD:0247896,-1.49,N1(c2ccccc2)C(=O)c3c(cc(cc3)NC(=O)c(cccc4[N+](=O)[O-])c4)C1=O,0.0
62717,CO-ADD:0254911,-1.49,c1(non2)c2nc(Nc(cc3)ccc3F)c(N\N=C\c(ccc4c(cccc5C(O)=O)c5)o4)n1,0.0
62718,CO-ADD:0247582,-1.49,P(O)(=O)(CCNCCCC(O)=O)CN(CC1)CCO1,0.0
62719,CO-ADD:0252388,-1.49,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3cccc(OC)c3OCc4ccc(cc4Cl)Cl.Cl,0.0
62720,CO-ADD:0252336,-1.49,[n+]1(cc(C)ncc1C)CC(c2ccccc2)=O,0.0
62721,CO-ADD:0248237,-1.49,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)\N=C\c4cccc(OC)c4O)n1,0.0
62722,CO-ADD:0252373,-1.5,n1(c2c(O)cc(c(O)c2)SCCCCCCCCCCCC)n(n13)c(c34)cccc4,0.0
62723,CO-ADD:0253110,-1.5,c1(N(CC2)CCS2)nc(Cl)nc(NCCO)n1,0.0
62724,CO-ADD:0252565,-1.5,N1(CCc2ccccc2)C(C)(O)C3(OC1=O)CCCCC3,0.0
62726,CO-ADD:0248907,-1.5,N1(C(=O)c2cccc(OC)c2)N=C(CC1(O)c3cccc(OC)c3)C(F)(F)F,0.0
62727,CO-ADD:0248893,-1.5,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c4ccc(c(C)c4C)C)C2,0.0
62728,CO-ADD:0247738,-1.5,C(/c1ccccc1)(\NC(=O)N\C(\c2ccccc2)=C(/Cl)\Cl)=C(/Cl)\Cl,0.0
62729,CO-ADD:0248022,-1.5,c1(SCC(=O)N\N=C\c2ccccc2OCCCCCCC)sc(c3n1)cccc3,0.0
62730,CO-ADD:0133872,-1.5,O=C(c1[nH]c([N+](=O)[O-])cn1)N2CCOCC2,0.0
62731,CO-ADD:0306150,-1.5,c1(ccn[nH]1)C(=O)NCc2ccccc2,0.0
62732,CO-ADD:0311335,-1.5,S(=O)(=O)(c1c(C)cc(c(C)c1)Br)n2c3c(nc2)cccc3,0.0
62733,CO-ADD:0312299,-1.5,C(=S)(Nc1ccccc1)NNC(=O)c2cccc(OC)c2,0.0
62734,CO-ADD:0307535,-1.5,S(=O)(=O)(c1c(C)cc(cc1C)C)Nc2cc(on2)C,0.0
62735,CO-ADD:0311573,-1.5,C1(C(OC)=O)(C(F)(F)F)N=C(C=CC(=C2)Br)N2C(c3ccccc3)=N1,0.0
62736,CO-ADD:0306338,-1.5,C(=O)(NCc1ccco1)Nc(cc2)ccc2c3ccc(cc3)NC(=O)NCc4ccco4,0.0
62737,CO-ADD:0312610,-1.5,c(cc1c2CN3C(c(ccc4)n14)C5(OC(C)(C=C5)C6C(=O)O)C6C3=O)cc2,0.0
62738,CO-ADD:0310932,-1.5,N(\C(=C\c(ccc1c2ccccc2[N+](=O)[O-])o1)\C(O3)=O)=C3c4cccc(F)c4,0.0
62739,CO-ADD:0305788,-1.5,c1(NC(=O)c2ccccc2[N+](=O)[O-])sc(c(C)c1C(OCC)=O)C,0.0
62740,CO-ADD:0307099,-1.5,c1(N(CC2)CCO2)nc(Nc(cc3)ccc3OC(F)(F)F)nc(Nc(cc4)cc(c45)ccc(C)n5)n1,0.0
62741,CO-ADD:0307033,-1.5,C(=O)(c(cc1)ccc1C(F)(F)F)N(CC2)CCN2c3ccc(cc3)Cl,0.0
62742,CO-ADD:0311639,-1.5,N(c1ccccc1C)(C(c2ccccc2)=O)NC(=O)C(O)(c3ccc(cc3)OC)c4ccc(cc4)OC,0.0
62743,CO-ADD:0312041,-1.5,S(=O)(=O)(c1ccc(cc1)C)NC(=O)Nc2ccccc2c3ccccc3,0.0
62744,CO-ADD:0324878,-1.5,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c3ccccc3C)\C2=N,0.0
62745,CO-ADD:0307460,-1.5,c(nn(c12)c(C)cc(C)n1)(n2)S(=O)(=O)Nc3c(C)cc(nc3Cl)C,0.0
62746,CO-ADD:0311009,-1.5,C(=O)(N(CC1)CCN1CC)c2ccccc2NC(=O)c3ccc(cc3)Cl,0.0
62747,CO-ADD:0311751,-1.5,c1(Nc(cc2)ccc2OC(F)(F)F)nc(NCC=C)nc(OCC(F)(F)F)n1,0.0
62748,CO-ADD:0312359,-1.5,c1(C2c(cc3)ccn3)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
62749,CO-ADD:0312429,-1.5,C1(C2)([N+](=O)[O-])C(CC(C)=O)C(C(=O)C=C1)(CN2CCO)[N+](=O)[O-],0.0
62750,CO-ADD:0312421,-1.5,c1(C2c(cc3OCC)cc(c3O)Br)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
62751,CO-ADD:0305434,-1.5,C(=C/c(cc(Br)c(c1)OC)c1OC)(/C(=O)OC2(O3)CCCCC2)\C3=O,0.0
62752,CO-ADD:0311264,-1.5,[C@H]1(NC(C)=O)[C@H](Oc2ccccc2NC(C)=O)O[C@@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)COC(C)=O,0.0
62753,CO-ADD:0307063,-1.5,c(c(C)c1)(cc(c1N(CC2)CCO2)F)C(c3ccccc3)=O,0.0
62754,CO-ADD:0303964,-1.5,N1(c2ccc(cc2)Oc3ccccc3)CC(CC1=O)C(O)=O,0.0
62755,CO-ADD:0303894,-1.5,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c(cccc5[N+](=O)[O-])c5,0.0
62756,CO-ADD:0303170,-1.5,N1(CC(=O)Oc(cc2)ccc2c3cnc(c4n3)cccc4)C(=O)c(c5C1=O)cccc5,0.0
62757,CO-ADD:0303025,-1.51,S1(=O)(=O)c(cccc2)c2C(=O)N1CC(C)=O,0.0
62759,CO-ADD:0300840,-1.51,n12c(cc(c3ccc(cc3)C)n1)nc(C)c(C)c2C(C)(C)C,0.0
62760,CO-ADD:0300864,-1.51,S(NCCCNc(cc1)ccc1[N+](=O)[O-])(=O)(=O)c2ccc(cc2)C,0.0
62761,CO-ADD:0303134,-1.51,c1(cc(ccc1N(CC2)CCN2C(=O)c3ccc(cc3)C)[N+](=O)[O-])C(F)(F)F,0.0
62762,CO-ADD:0301260,-1.51,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c3c4c([nH]c3C)cccc4,0.0
62763,CO-ADD:0303618,-1.51,N1(c2ccc(cc2)OC)C(=O)\C(=C(/CC)\NCCN(CC)CC)\C(NC1=O)=O,0.0
62764,CO-ADD:0304207,-1.51,N1(c(cc2)ccc2C(C)C)CC(CC1=O)C(=O)Nc(cc3)ccc3C(C)C,0.0
62765,CO-ADD:0303938,-1.51,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5cccs5)cccc4,0.0
62766,CO-ADD:0303870,-1.51,c1(C(O)(c2ccccc2)c3ccccc3)nc(c4n1Cc5cccc(Br)c5)cccc4,0.0
62767,CO-ADD:0304013,-1.51,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5ccc(C)s5)cccc4,0.0
62768,CO-ADD:0303096,-1.51,C(=C(/c1c(N2)cccc1)\C2=O)(/C(NC(=O)c(cccc3[N+](=O)[O-])c3)=NN4c5c(Cl)cc(cc5Cl)Cl)\C4=O,0.0
62769,CO-ADD:0301830,-1.51,c(c1c(s2)CCC1)(C3=O)c2N=CN3Cc4ccc(cc4C)C,0.0
62770,CO-ADD:0303125,-1.51,C(C(F)(F)F)(C(F)(F)F)(NC(C(C)C)=O)Nc1sc(c(CC)c1C#N)C,0.0
62771,CO-ADD:0301361,-1.51,s1c(N)nnc1SCc(ccc(c2Cl)Cl)c2,0.0
62772,CO-ADD:0310903,-1.51,[N+](=O)([O-])c1ccc(cc1NC(C)c2ccccc2)N(CC3)CCN3C(=O)c4ccc(cc4)OC,0.0
62773,CO-ADD:0310872,-1.51,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)Nc(c(OC)cc(c45)c6c(cccc6)o4)c5)c1C)cc(OC)cc3,0.0
62774,CO-ADD:0307231,-1.51,c1(C2c3ccc(cc3)OCc4ccccc4F)c([nH]nc1c5ccc(cc5)Cl)OC(N)=C2C#N,0.0
62775,CO-ADD:0311130,-1.51,c1(cc(Br)ccc1OCC(=O)NC2CC2)C(=O)Nc(cc3)ccc3Cl,0.0
62776,CO-ADD:0312289,-1.51,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)NCc4ccco4)ccc(Br)c3,0.0
62777,CO-ADD:0312389,-1.51,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccccc4F,0.0
62778,CO-ADD:0307259,-1.51,n(c(Cl)c(Cl)c(c1N)Cl)c1Cl,0.0
62779,CO-ADD:0305952,-1.51,c1(NC(=O)c2c(Cl)ccc(c2)[N+](=O)[O-])sc(c(C)c1C(OC)=O)C,0.0
62780,CO-ADD:0305658,-1.51,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3OCCCC)C2c4ccccc4,0.0
62781,CO-ADD:0306193,-1.51,c1(C(=O)c2sc(c3n2)cccc3)cn(nc1C(C)=O)c4ccc(cc4)C,0.0
62782,CO-ADD:0311632,-1.51,c12c(n(cn1)CC\N=C(/CCCC3)\N3)C(N(C)C(=O)N2C)=O.Cl,0.0
62783,CO-ADD:0306849,-1.51,N1(c2ccc(cc2C)I)C(=O)\C(\SC1=N)=C\c(cc(I)cc3I)c3OCC=C,0.0
62784,CO-ADD:0311821,-1.51,c(c1c(cc2)ccn2)(C3c(cc(OCC)c(c4[N+](=O)[O-])O)c4)c([nH]n1)OC(N)=C3C#N,0.0
62785,CO-ADD:0312209,-1.51,N1(CC)\C(=N/CC)\SC(C(=O)Nc(cc2)ccc2OCCC)CC1=O,0.0
62786,CO-ADD:0310770,-1.51,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c3ccccc3F,0.0
62787,CO-ADD:0321276,-1.52,C1(O)(C(C)(C)O)ONC(c2ccccc2)C1,0.0
62788,CO-ADD:0320701,-1.52,C1(NC(=O)c2ccc(c(OC)c2)OCc3ccccc3Cl)=C(C)N(N(c4ccccc4)C1=O)C,0.0
62789,CO-ADD:0319612,-1.52,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/Nc(ccc(c3C)C)c3,0.0
62790,CO-ADD:0323465,-1.52,N1C(=O)C=C(N=C1SCC(=O)Nc2cccc(C)c2C)C,0.0
62791,CO-ADD:0318941,-1.52,N1(CCC(=O)Nc(cccc2[N+](=O)[O-])c2)C(=O)c(c3C1=O)cccc3,0.0
62792,CO-ADD:0305620,-1.52,N1(CCc2c(C)[nH]c(ccc(c3)[N+](=O)[O-])c23)C(C)(O)C(OC1=O)(C)C,0.0
62793,CO-ADD:0311012,-1.52,c1(c2c(sc1NC(=O)c3cccs3)CCCC2)C(=O)N(CC4)CCN4CC,0.0
62794,CO-ADD:0310767,-1.52,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(C)c3,0.0
62795,CO-ADD:0312230,-1.52,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3cccc(Oc4ccccc4)c3,0.0
62796,CO-ADD:0310819,-1.52,c(C(=O)Nc1nnc(c2ccccc2)s1)(sc(c34)nc(cc3C(F)(F)F)c5cccs5)c4N,0.0
62797,CO-ADD:0312068,-1.52,c12c(cccn1)cccc2SCC(=O)Nc(cc3)ccc3OCCCCC,0.0
62798,CO-ADD:0307611,-1.52,C(=O)(N(CC1)CCN1c2ccc(cc2F)C(CCC)=O)c3c(cccc3F)F,0.0
62799,CO-ADD:0306796,-1.52,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3C,0.0
62800,CO-ADD:0310970,-1.52,C(C(OC)=O)(C(F)(F)F)(NC(c1ccccc1)=O)Nc2sc(c(c3ccccc3)c2C(OCC)=O)CC,0.0
62801,CO-ADD:0311467,-1.52,C1(=C(CC(C)(C)CC1=O)Nc(c2N3C(CCCC)=O)cccc2)C3c4ccc(c(Cl)c4)Cl,0.0
62802,CO-ADD:0311508,-1.52,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OC)c4)O,0.0
62803,CO-ADD:0301627,-1.52,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)F)cccc4,0.0
62804,CO-ADD:0302383,-1.52,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2C(C)C)(C(=O)Nc3ccccc3OC)C1c4ccccc4,0.0
62805,CO-ADD:0303260,-1.52,c12c([nH]c(NCc3ccccc3)n1)C(N(C)C(=O)N2C)=O,0.0
62806,CO-ADD:0300409,-1.52,C1(C)(CC2)C(CCC1C3(C)CCC(=O)O3)C(C24)CC=C(CC(CC5)OC(C)=O)C45C,0.0
62807,CO-ADD:0301261,-1.52,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc(c3OCC)OCC(N)=O)c3,0.0
62808,CO-ADD:0304321,-1.52,N12C(S\C(=C/c(ccc(c3OC)OC)c3)\C1=O)=NCN(c(cc4)ccc4C(C)=O)C2,0.0
62809,CO-ADD:0302687,-1.52,c1(non2)c2nc(NC3C(C4)CC(CC4C5)CC35)c(NC6C(CC(C7)CC8CC67)C8)n1,0.0
62811,CO-ADD:0301548,-1.52,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C3=O)\c4c(N3)ccc(c4)[N+](=O)[O-])c5nonc5N,0.0
62812,CO-ADD:0303104,-1.52,c1(ccccc1F)C(=O)NCC(=O)NCc2ccco2,0.0
62813,CO-ADD:0302060,-1.52,C(=O)(C(C)Oc1ccccc1)Nc(c2)cc(cc2C(O)=O)C(O)=O,0.0
62814,CO-ADD:0303833,-1.52,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCOc4ccccc4C,0.0
62815,CO-ADD:0312382,-1.52,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(C)s4,0.0
62816,CO-ADD:0312450,-1.52,c(NC1CC1)(nc(OCC(F)(F)F)nc2Nc(cc3)ccc3OC(F)(F)F)n2,0.0
62817,CO-ADD:0311129,-1.52,C(=O)(Nc(ccc(c1O2)OC23CCCCC3)c1)c4ccccc4SC,0.0
62818,CO-ADD:0310929,-1.52,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)N(CC3)CCN3C(=O)c4cccc(C)c4,0.0
62819,CO-ADD:0312637,-1.52,C1=C(C2C(C(=O)O)C(C(=O)N3c4ccccc4)C1C3)Sc(cccc5)c25,0.0
62820,CO-ADD:0305885,-1.52,c1(NC(=O)C(c2ccccc2)c3ccccc3)sc(c(C)c1C(OC)=O)C,0.0
62821,CO-ADD:0306866,-1.53,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)OCCCC)c24,0.0
62822,CO-ADD:0307330,-1.53,c12c(C(N(C)C(=O)N1C)=O)n(c(Br)n2)CC(=O)Nc(cc3)ccc3C,0.0
62823,CO-ADD:0310754,-1.53,C1(CCC(NC1c2ccc(cc2)Br)=O)[N+](=O)[O-],0.0
62824,CO-ADD:0311822,-1.53,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c(cc(OCC)c(c3[N+](=O)[O-])O)c3,0.0
62825,CO-ADD:0307545,-1.53,C(C(OC)=O)(=CN(Cc(ccc(c12)OCO1)c2)C=C3C(OC)=O)C3c(ccc(c45)OCO4)c5,0.0
62826,CO-ADD:0307290,-1.53,c1(c(Cl)c(C)cc(F)c1F)C(=O)N2CCC(CC2)C,0.0
62827,CO-ADD:0307411,-1.53,N1(c2c(cccc2)NC(=O)CC1C)C(N)=O,0.0
62828,CO-ADD:0323458,-1.53,n1(CC=C)c(SCC(=O)Nc(ccc(c23)OCO2)c3)nnc1c4cccs4,0.0
62829,CO-ADD:0312146,-1.53,c12c(nnc(SCC(=O)Nc(cc3)ccc3C)n1)c4c(cccc4)n2C,0.0
62830,CO-ADD:0312187,-1.53,N1(c2ccccc2)C(=O)N(N(CC(OC)=O)C1=O)CC(OC)=O,0.0
62831,CO-ADD:0312430,-1.53,N1(CCCC(=O)Nc(cccc2C(OC)=O)c2)C(=O)c(c3C1=O)cccc3,0.0
62832,CO-ADD:0311400,-1.53,C1(C)(C(C)(CC)OC2=O)N2CCc(cccc3)c13,0.0
62833,CO-ADD:0311722,-1.53,C(CC1CC2CC3C1)(C3)(C2)NCC(C)O,0.0
62834,CO-ADD:0312350,-1.53,N(C(=O)\C(\S1)=C/c(cc2)ccc2OCC=C)=C1N(CC3)CCN3C(C)=O,0.0
62835,CO-ADD:0310920,-1.53,[N+](=O)([O-])c1c(OCC)ccc(c1)C(NCCNc2ccc(cc2C(F)(F)F)[N+](=O)[O-])=O,0.0
62836,CO-ADD:0310914,-1.53,[N+](=O)([O-])c1cccc(Cl)c1NCCNC(=O)\C=C\c2ccc(cc2Cl)Cl,0.0
62837,CO-ADD:0305181,-1.53,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(O)c4,0.0
62838,CO-ADD:0304654,-1.53,N(C(N)=CC(N1)=O)=C1SCCOc(cc2)ccc2C,0.0
62839,CO-ADD:0304694,-1.53,n1c(CCc2n[nH]c(N)n2)n[nH]c1N,0.0
62840,CO-ADD:0304671,-1.53,N1(c2ccc(cc2)OC)CC(CC1=O)C(NCCC3=CCCCC3)=O,0.0
62841,CO-ADD:0304545,-1.53,c1(nc(CCCC2)c2c(C(OC)=O)c1C#N)NC(NCC)=O,0.0
62842,CO-ADD:0302433,-1.53,N1(c2ccccc2)C(c(c3)cc(c(O)c3C)C)Nc(c4C1=O)cccc4,0.0
62843,CO-ADD:0304118,-1.53,[N+](=O)([O-])c1cc(ccc1Sc2ccccc2)C=O,0.0
62844,CO-ADD:0301391,-1.53,C(O)(C\N=C\c1ccccc1)(c2ccc(cc2)C)c3ccc(cc3)C,0.0
62845,CO-ADD:0301410,-1.53,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccco5,0.0
62846,CO-ADD:0302177,-1.53,n12c(cc(C)n1)nc(c3ccccc3)cc2c4ccccc4,0.0
62847,CO-ADD:0304133,-1.53,c1(OCc2cccc(Cl)c2)c(OC)cc(cc1Br)C=O,0.0
62848,CO-ADD:0304175,-1.53,c1(SCC(=O)Nc(cc2)ccc2[N+](=O)[O-])sc3c(ccc(OCC)c3)n1,0.0
62849,CO-ADD:0304231,-1.53,C(=N\O)(/c1ccc(c(OC)c1)OC)\c2nccc(cc(c(OC)c3)OC)c23,0.0
62850,CO-ADD:0301866,-1.53,C(C(OC)=O)(C1c2ccc(cc2)OC)=C(C)N(C(C)=C1C(OC)=O)C,0.0
62851,CO-ADD:0302455,-1.53,C1(C2C(CCC=C3)C3)=C(CC(C)(C)CC1=O)c4c(ccc5c4cccn5)N2,0.0
62852,CO-ADD:0301474,-1.53,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c3cccc(OCC)c3,0.0
62853,CO-ADD:0303277,-1.53,s1c(C)nnc1SCc2c(C)cc(cc2C)C,0.0
62854,CO-ADD:0310958,-1.53,C(Nc(cc1)ccc1OC(F)(F)F)(C(OC)=O)(C(F)(F)F)NC(c2ccccc2)=O,0.0
62855,CO-ADD:0307534,-1.53,n1(c2)c(ccc(CCSc(cc3)ccc3C)c1)cc2c4ccccc4,0.0
62856,CO-ADD:0307485,-1.54,C(C(OCCOC(C)C)=O)(C1c2ccc(cc2)OCC)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
62857,CO-ADD:0300375,-1.54,C(CC1)(CCN1C(=O)c(cc2)ccc2C#CC(C)(C)O)(C(N)=O)N3CCCCC3,0.0
62858,CO-ADD:0304735,-1.54,c1(nonc1N)\C(\N)=N\OCC(N)=O,0.0
62859,CO-ADD:0305362,-1.54,N1(CN(CCCC)CN2C(=O)C3C(C4CC3C=C4)C2=O)C(=O)C5C(C(CC56)C=C6)C1=O,0.0
62860,CO-ADD:0305027,-1.54,N1(c(ccc(c2s3)nc3SCC(=O)Nc(cccc4C(F)(F)F)c4)c2)C(=O)C5C(C(CC56)C=C6)C1=O,0.0
62861,CO-ADD:0310750,-1.54,C1(NC(CCC1[N+](=O)[O-])=O)c2cc(Br)ccc2OC,0.0
62862,CO-ADD:0311103,-1.54,c1(NC(=O)C(CC(N2c3ccc(cc3)OCCC)=O)C2)sc(c4c1C#N)CCCC4,0.0
62863,CO-ADD:0307341,-1.54,C1(C2c3ccc(cc3)F)=C(CC(c(cccc4[N+](=O)[O-])c4)CC1=O)Nc(c5N2C(CCC(O)=O)=O)cccc5,0.0
62864,CO-ADD:0311394,-1.54,C(=C\C(c1ccccc1)=O)(/C2=O)\Nc3c(ccc(Cl)c3)O2,0.0
62865,CO-ADD:0305513,-1.54,C1(Br)=C(N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])C(F)(F)F)C=NN(c4ccccc4)C1=O,0.0
62866,CO-ADD:0305472,-1.54,c1(CCl)cc(Cl)ccc1OCC(O)=O,0.0
62867,CO-ADD:0304236,-1.54,C(NCCc1ccccc1)(=O)c2ccc(cc2)N,0.0
62868,CO-ADD:0304237,-1.54,c1(C(=O)Nc(cc2)ccc2Cc(cc3)ccn3)c(Cl)c4c(cccc4)s1,0.0
62869,CO-ADD:0303171,-1.54,N1(CC(=O)Oc2ccccc2OC)C(=O)c(c3C1=O)cccc3,0.0
62870,CO-ADD:0303143,-1.54,S(=O)(=O)(Nc(cccc1C(O)=O)c1)c2c(Cl)ccc(Cl)c2,0.0
62871,CO-ADD:0303702,-1.54,S(=O)(=O)(NCc(ccc(c12)OCO1)c2)c3c(C)ccc(c3)[N+](=O)[O-],0.0
62872,CO-ADD:0302799,-1.54,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(O)=O)n2)Cc(cccc3C(F)(F)F)c3,0.0
62873,CO-ADD:0300760,-1.54,N1(c2ccc(cc2)OCc3ccccc3)CC(CC1=O)C(=O)Nc4c(C)cccc4C,0.0
62874,CO-ADD:0300624,-1.54,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(ccc(c5OCc6ccccc6)OC)c5)cccc4,0.0
62875,CO-ADD:0304554,-1.54,N1(C(c2ccc(cc2)OC)C#N)C(c3ccccc3)CC(C)=N1,0.0
62876,CO-ADD:0305236,-1.54,n1c(cc(Cl)cc2Cl)c2oc1SCc(cc3)ccc3OC(F)(F)C(F)F,0.0
62877,CO-ADD:0304789,-1.54,c(c1c(cccn2)c2)(c(nc(C)c1C(=O)Nc3ccccc3)sc4C(OCCCCCCCCC)=O)c4N,0.0
62878,CO-ADD:0301376,-1.54,C(CC)(C(F)(F)F)(C(F)(F)F)C(=O)Nc1ccc(cc1F)F,0.0
62879,CO-ADD:0303108,-1.54,N(Cc1ccccc1)(C(S)=Nc(c23)scc2c4ccc(cc4)OC)C3=O,0.0
62880,CO-ADD:0301406,-1.54,c12c(c3c(cccc3)o1)NC(=O)C(C(OCC)=O)=C2c4ccccc4,0.0
62881,CO-ADD:0301597,-1.54,C(C(OC)=O)(C1c(cc2OC)cc(c2OC)OC)=C(C)N(C(C)=C1C(OC)=O)C,0.0
62882,CO-ADD:0303237,-1.54,N#Cc(cc1)ccc1Oc(cc2)ccc2c3ccccc3,0.0
62883,CO-ADD:0303589,-1.54,S(=O)(=O)(c(ccc(c1C#N)Cl)c1)N(CC2)CCO2,0.0
62884,CO-ADD:0301701,-1.54,c1(CSc2[nH]c3c(ccc(Br)c3)n2)n(C)c4c(cccc4)n1,0.0
62885,CO-ADD:0301656,-1.54,c12c(CCCC1C(O)=O)c3c(ccc(Br)c3)[nH]2,0.0
62886,CO-ADD:0301453,-1.55,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3ccc(c(Br)c3)OC,0.0
62887,CO-ADD:0303016,-1.55,N(C1c2c(O3)cccc2)(C3c4c(O5)cccc4)C5c6c(cccc6)O1,0.0
62888,CO-ADD:0307400,-1.55,N1C(c2cccc(c2)OCc3ccccc3)SCC1C(O)=O,0.0
62889,CO-ADD:0305669,-1.55,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3I)C2c4ccccc4,0.0
62890,CO-ADD:0305165,-1.55,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cc(OC)c(c4[N+](=O)[O-])O)c4,0.0
62891,CO-ADD:0304491,-1.55,c1(Cl)c(ccc(Cl)c1)OCC(=O)NC(C)(C)CO,0.0
62892,CO-ADD:0305133,-1.55,N(Cc1ccccc1C#N)(C2=O)C(=O)N(c3c2n(C)cn3)C,0.0
62893,CO-ADD:0304589,-1.55,C(/C(=O)NN1c2ccccc2)(\C1=O)=C(/c3c(N4Cc(cccc5[N+](=O)[O-])c5)cccc3)\C4=O,0.0
62894,CO-ADD:0303695,-1.55,N1(CC)C(=O)c2c(N=C1SCC(NCCOc3ccccc3)=O)cccc2,0.0
62895,CO-ADD:0312185,-1.55,n1(Cc2ccccc2F)c3c(nc1COc4ccccc4)cccc3,0.0
62896,CO-ADD:0311270,-1.55,n(CC(O)COc(cc1)ccc1[N+](=O)[O-])(c2c(n3)cccc2)c3C,0.0
62897,CO-ADD:0305852,-1.55,c([N+](=O)[O-])(nn(c1C(=O)Nc2sc(c3c2C(OCC)=O)CCCC3)Cc4ccccc4)c1,0.0
62898,CO-ADD:0306248,-1.55,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(Oc5ccccc5)c4,0.0
62899,CO-ADD:0306232,-1.55,C(=C\c(cc1)ccc1F)(/C(=O)NN2c3cccc(Cl)c3)\C2=O,0.0
62900,CO-ADD:0312246,-1.55,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cccc(OC)c5,0.0
62901,CO-ADD:0305689,-1.55,C(=C(C)NC(=C1C#N)SCC(=O)Nc2ccc(cc2C)C)(C(=O)Nc3ccccc3C)C1c4ccco4,0.0
62902,CO-ADD:0303710,-1.55,c1(sc(c2n1)cccc2)\C(\C#N)=C\c3cccc(OC)c3,0.0
62903,CO-ADD:0302762,-1.55,c1(nonc1N)\C(\N)=N\OCc2ccc(cc2Cl)F,0.0
62904,CO-ADD:0301975,-1.55,c12c(c(cc(O)n1)C)c(nn2c3ccccc3)C,0.0
62905,CO-ADD:0302743,-1.55,N1(C2c3ccc(cc3)F)C(S\C(=C\c(cc4OC)cc(c4OCc5ccccc5F)Br)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
62906,CO-ADD:0303288,-1.55,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc(cccc2\C=C/C(O)=O)c2,0.0
62907,CO-ADD:0302769,-1.55,C(C#N)(C1=O)=C(c2ccccc2)N=C(SCC(=O)Nc3cccc(C)c3C)N1,0.0
62908,CO-ADD:0305091,-1.55,C1(C(OC)=O)=NNC(=O)N1,0.0
62909,CO-ADD:0305145,-1.55,c1(c2ccccc2F)nnn(CCC#N)n1,0.0
62910,CO-ADD:0302868,-1.55,C12=C(CC(C)(C)CC1=O)Oc(c3C2C4C(=O)CC(CC4=O)(C)C)ccc(c3)[N+](=O)[O-],0.0
62911,CO-ADD:0301329,-1.55,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5)OCC(O)=O,0.0
62912,CO-ADD:0302077,-1.55,C1(=O)OC(COc(cc2)ccc2C3CCCCC3)=Nc4c1ccc(c4)Cl,0.0
62913,CO-ADD:0304105,-1.55,C1(OC2)(OCC2(CO)[N+](=O)[O-])c3c(N(C)C1=O)cccc3,0.0
62914,CO-ADD:0302842,-1.55,N1(c2ccc(cc2)OCC)CC(CC1=O)C(=O)NCc3ccco3,0.0
62915,CO-ADD:0303536,-1.55,C1(=C(C)NC(=C2C1c3cccc(OCC)c3)CCCC2=O)C(=O)Nc4ccccc4C,0.0
62916,CO-ADD:0302058,-1.55,C1(NCCC(O)=O)=NC(Cc2c1ccc(c23)cccc3)(C)C,0.0
62917,CO-ADD:0302964,-1.55,C(=O)(c1ccc(cc1)F)Oc(cccn2)c2,0.0
62918,CO-ADD:0303018,-1.55,n12c(nc(C)cc1C(C)(C)C)cc(c3ccccc3)n2,0.0
62919,CO-ADD:0304287,-1.55,C(N)(SCCC(O)=O)=N,0.0
62920,CO-ADD:0302550,-1.55,N1C(=O)\C(\SC1=S)=C/c(ccc(c2OC)OCCOc3ccccc3)c2,0.0
62921,CO-ADD:0302960,-1.55,n1(CC=C)c(SCC(O)=O)nnc1c(cccc2[N+](=O)[O-])c2,0.0
62922,CO-ADD:0305881,-1.55,c1(c2c(sc1NC(=O)c3ccccc3C)CCCC2)C(=O)OC(C)C,0.0
62923,CO-ADD:0306180,-1.55,c1(noc(c2nonc2N)n1)c3nonc3N,0.0
62924,CO-ADD:0305972,-1.55,c1(C(=O)N(CC2)CCN2c3ccccc3)c(C)oc(cc4c5oc(c4C(=O)N(CC6)CCN6c7ccccc7)C)c1c5,0.0
62925,CO-ADD:0305990,-1.55,c12c(c3c(cccc3)OC1=O)nc(c4cccs4)nc2NC(CC)=O,0.0
62926,CO-ADD:0305974,-1.56,c1(C#N)c(SCC(=O)Nc(ccc(c23)cccc2)c3)nc(cc1C(F)(F)F)c4ccccc4,0.0
62927,CO-ADD:0305622,-1.56,C1(=O)Nc2c(Oc(cc(cc3OCCO)[N+](=O)[O-])c13)cccc2,0.0
62928,CO-ADD:0304428,-1.56,N1CCCC[C@H]1c(cccn2)c2.Cl,0.0
62929,CO-ADD:0304500,-1.56,c1(nn(cc1I)C)c(onc2c3nonc3N)n2,0.0
62930,CO-ADD:0305012,-1.56,c1(C(=O)C2CC2)oc(c3c1NC(=O)c(cc4)ccc4C(F)(F)F)cccc3,0.0
62931,CO-ADD:0305022,-1.56,C(=C(C)NC(=C1C#N)SCC(=O)Nc2sccn2)(C(=O)Nc3ccccc3OC)C1c4cccs4,0.0
62932,CO-ADD:0304590,-1.56,c1(C2CCCCC2c3[nH]c(c4n3)cccc4)[nH]c(c5n1)cccc5,0.0
62933,CO-ADD:0304568,-1.56,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2)c1)N(C)c3ccc(cc3)Cl,0.0
62934,CO-ADD:0305017,-1.56,N1(c2c(cccc2)N=C(c3ccc(cc3)Br)CC1c4ccccc4)C(c5ccccc5)=O,0.0
62935,CO-ADD:0311825,-1.56,c(c1C(C)C)(C2c(cc(OCC)c(c3[N+](=O)[O-])OC(=O)N(CC4)CCO4)c3)c([nH]n1)OC(N)=C2C#N,0.0
62936,CO-ADD:0305595,-1.56,c1(Oc2cccc(c2)NC(CCC)=O)nc(C)c(c(C)c1C#N)Cl,0.0
62937,CO-ADD:0305465,-1.56,S(=O)(=O)(N(C)C)c(cc(c(c1[N+](=O)[O-])C)[N+](=O)[O-])c1,0.0
62938,CO-ADD:0305457,-1.56,c(c1)(cc(cn1)Br)C(=O)NCc(cc2)ccc2OC,0.0
62939,CO-ADD:0310943,-1.56,C1(C2c3ccc(cc3)OC)=C(CC(c4ccccc4OCC)CC1=O)Nc(c5N2C(CC)=O)cccc5,0.0
62940,CO-ADD:0312072,-1.56,C(CSCC(=O)NCc(cc1)ccc1OC)(=O)Nc2ccccc2,0.0
62941,CO-ADD:0312060,-1.56,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)[nH]c(c3n1)cccc3,0.0
62942,CO-ADD:0307038,-1.56,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)Cl)c24,0.0
62943,CO-ADD:0300577,-1.56,c1(CC(OCC)=O)c(Sc2ccccc2)c3c(cccc3)n1Cc4ccccc4,0.0
62944,CO-ADD:0304666,-1.56,N1(c2ccc(c(Cl)c2)Cl)CC(CC1=O)C(=O)Nc3c(C)ccc(Cl)c3,0.0
62945,CO-ADD:0300520,-1.56,N1(c2ccccc2Cl)C(c(ccc(c3[N+](=O)[O-])N(C)C)c3)Nc(c4C1=O)cccc4,0.0
62946,CO-ADD:0304634,-1.56,C(=S)(NC(CC1(C)C)CC(N1)(C)C)Nc2ccccc2OC,0.0
62947,CO-ADD:0302590,-1.56,N1(c2ccccc2OC)C(=O)C(C(C(c(c34)cccc3)c(c56)cccc5)C1=O)C46,0.0
62948,CO-ADD:0303801,-1.56,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c4ccccc4Br,0.0
62949,CO-ADD:0302582,-1.56,c1(nncn1\N=C\c(cc2)ccc2OC)N=[N+]=[N-],0.0
62950,CO-ADD:0302990,-1.56,c1(ccc(C)o1)C2N(CCCN2Cc3ccccc3)Cc4ccccc4,0.0
62951,CO-ADD:0302408,-1.56,S(=O)(=O)(NCc(ccc(c12)OCO1)c2)c3ccc(c(OC)c3)OC,0.0
62952,CO-ADD:0301308,-1.56,n1(c(cc2)ccc2C(=O)OCc(cc3)ccc3F)nnnc1SCC(OC)=O,0.0
62953,CO-ADD:0302949,-1.56,N1(c2ccccc2)C(c3ccc(cc3)OCc4ccccc4Cl)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
62954,CO-ADD:0301469,-1.56,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3cccc(F)c3,0.0
62955,CO-ADD:0302674,-1.56,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2)c1)N(C)C3CCCCC3,0.0
62956,CO-ADD:0305590,-1.56,C1(C(=O)NN=C2Cc3ccco3)=C2C=C(C)NC1=O,0.0
62957,CO-ADD:0307308,-1.56,N(c1c(cccc1)NC(CC(C)(C)CC2=O)=C23)(C(=O)c(cc4OC)cc(c4OC)OC)C3c5ccc(cc5)Cl,0.0
62958,CO-ADD:0305615,-1.56,c1(nn(cn1)CC(NCCc(ccc(c2OC)OC)c2)=O)[N+](=O)[O-],0.0
62959,CO-ADD:0218433,-1.56,S(CCCCCCCCC)(=O)(=O)N\N=C\c1ccccc1I,0.0
62960,CO-ADD:0217937,-1.56,c1(\C=N\NC(COc2cccc(Br)c2)=O)cc(Br)ccc1OC,0.0
62961,CO-ADD:0306191,-1.56,c1(conc1C(=O)c2cccs2)C(=O)c3ccc(cc3)Cl,0.0
62962,CO-ADD:0304501,-1.56,S(=O)(=O)(Nc(cc1)ccc1OCC(O)=O)c2cccc(nsn3)c23,0.0
62963,CO-ADD:0301026,-1.57,n1(CC(=O)N\N=C\c(cc2)ccc2N(C)C)c(C)cc(C)n1,0.0
62964,CO-ADD:0300738,-1.57,c1(C(O)c2ccccc2)nc(c3n1CC(OC)=O)cccc3,0.0
62965,CO-ADD:0300523,-1.57,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(NCCOc4ccccc4)=O)c1C)cc(OC)cc3,0.0
62966,CO-ADD:0304446,-1.57,c1(ccn[nH]1)C(NCCNC(=O)c2ccn[nH]2)=O,0.0
62967,CO-ADD:0300477,-1.57,N1(C(=O)\C(\SC1=N)=C\c(ccc(c2OCC)O)c2)c3nonc3N,0.0
62968,CO-ADD:0300348,-1.57,c1(sc(c2n1)CCCC2)NC(=O)c(cc3OC)cc(c3OC)OC,0.0
62969,CO-ADD:0301213,-1.57,C12(C#N)C(C#N)(C(OC3(OCC)C1CCCC3)C)C(=NC2(OC)OC)N,0.0
62970,CO-ADD:0300518,-1.57,c1(c(ccc(c1)[N+](=O)[O-])SCC(=O)Nc2ccccc2F)[N+](=O)[O-],0.0
62971,CO-ADD:0312160,-1.57,c12c(nnc(SCC(=O)N3CCCCC3)n1)c4c(cccc4)n2CC=C,0.0
62972,CO-ADD:0307430,-1.57,c(sc1c2c(COC)cc(C)n1)(C3=O)c2N=NN3c4cccc(cccc5)c45,0.0
62973,CO-ADD:0307407,-1.57,c1(N(CC2)CCO2)nc(NCc3ccco3)nc(Nc(cc4)ccc4OC(F)(Cl)F)n1,0.0
62974,CO-ADD:0305763,-1.57,c1(NC(=O)c(cc2OC)cc(c2OC)OC)sc(c3c1C(OCC)=O)CCCCC3,0.0
62975,CO-ADD:0307111,-1.57,c1(SCC(=O)Nc(cc2)ccc2OC(F)(F)F)[nH]c(c(c3)n1)ccc3[N+](=O)[O-],0.0
62976,CO-ADD:0312124,-1.57,c1(OC(N)=C(C2c3c[nH]nc3c4ccc(cc4)F)C#N)c2c(n[nH]1)CCC,0.0
62977,CO-ADD:0312093,-1.57,S(=O)(Cc1ccccc1)c2cc(ccc2C#N)N=[N+]=[N-],0.0
62978,CO-ADD:0302952,-1.57,c1(NC(CCCC(O)=O)=O)sc(c2n1)cccc2,0.0
62979,CO-ADD:0302904,-1.57,c1(c(N)n2)c(c3c(cccc3)OC1=O)nc2c4ccccc4O,0.0
62980,CO-ADD:0300736,-1.57,c12c(n(c(OCC(OC)=O)n1)C)C(N(C)C(=O)N2C)=O,0.0
62981,CO-ADD:0300553,-1.57,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cc(OC)c(cc5OC)OC)cccc4,0.0
62982,CO-ADD:0300689,-1.57,c1(C2c3ccc(c(OC)c3)OC)c([nH]nc1c(cccc4[N+](=O)[O-])c4)OC(N)=C2C#N,0.0
62983,CO-ADD:0301185,-1.57,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c4ccccc4OCc5ccccc5F)\C1=O)=NC(C)=C2C(OCC)=O,0.0
62984,CO-ADD:0301058,-1.57,C1(CC(CC2C1)CC3(C2)CCN)(C3)C(O)=O.Cl,0.0
62985,CO-ADD:0300696,-1.57,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(NCCOc4ccccc4C)=O,0.0
62986,CO-ADD:0303508,-1.57,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(cc5)OC(C)=O)cccc4,0.0
62987,CO-ADD:0303531,-1.57,C(C(OC)=O)(=CN(CCc1ccccc1)C=C2C(OC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
62988,CO-ADD:0306294,-1.57,C(CCl)(=O)NCc1ccccc1,0.0
62989,CO-ADD:0307279,-1.57,C(Nc(cc1)ccc1C(O)(C(OCC)=O)C(F)(F)F)(C(OCC)=O)(NC(CCl)=O)C(F)(F)F,0.0
62990,CO-ADD:0311605,-1.57,C1(=NCC(C)(C)S1)N(c2ccc(cc2)OC(F)(F)F)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
62991,CO-ADD:0312460,-1.57,C(NC(CC)=O)(C(F)(F)F)(C(F)(F)F)N1CCCCC1c(cccn2)c2,0.0
62992,CO-ADD:0218233,-1.57,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(cccn3)c23,0.0
62993,CO-ADD:0305548,-1.57,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(C)=O,0.0
62994,CO-ADD:0217858,-1.57,[C@@]1(C#N)(C#N)[C@@]([H])(c2ccc(cc2)Br)[C@]([H])(C3)C(C(C#N)=C1N)=CCN3Cc4ccccc4,0.0
62995,CO-ADD:0307225,-1.57,N1(c2sccn2)C(=O)\C(\SC1=N)=C/c(ccc3c4cccc(F)c4)o3,0.0
62996,CO-ADD:0304486,-1.57,c1(C#N)c(N)nc(cc1c2ccccc2Cl)CC(C)C,0.0
62997,CO-ADD:0301012,-1.58,S(=O)(=O)(c1ccc(cc1)CCNC(=O)c(cc2OC)cc(c2OC)OC)N3CCCC3,0.0
62998,CO-ADD:0301028,-1.58,C(=S)(NCc1ccco1)N(Cc2ccccc2)Cc3ccccc3,0.0
62999,CO-ADD:0300446,-1.58,N1(c2ccc(cc2)Cl)C(=O)C(N(Cc(cccn3)c3)C1=S)CC(=O)Nc(cc4)ccc4OCCC,0.0
63000,CO-ADD:0300560,-1.58,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)Nc(cc2)ccc2C#N)c1,0.0
63001,CO-ADD:0312059,-1.58,C(CSCC(=O)NCc1ccccc1)(=O)Nc(ccc(c23)cccc2)c3,0.0
63002,CO-ADD:0311246,-1.58,c([N+](=O)[O-])(nn(c1C(=O)Nc2sc(c3c2C(OCC)=O)CC(CC3)CC)Cc4ccccc4)c1,0.0
63003,CO-ADD:0307350,-1.58,N1(Cc(ccc(c23)OCO2)c3)C(=O)c4c(cc(cc4)Br)C1=O,0.0
63004,CO-ADD:0305406,-1.58,C(CC)(O)(c1ccc(cc1)Br)CCN(CC2)CCO2.Cl,0.0
63005,CO-ADD:0312252,-1.58,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccccc5OCC,0.0
63006,CO-ADD:0311089,-1.58,c1(NC(=O)c2ccccc2C)sc(c3c1C(=O)NCc(cccn4)c4)CCCCC3,0.0
63007,CO-ADD:0311055,-1.58,c1(nncn1\N=C\c2ccccc2O)n3c(C)cc(C)n3,0.0
63008,CO-ADD:0307206,-1.58,c1(c(CC(Cl)(Cl)Cl)c(n2c3ccc(cc3)Br)C)c2CC(C)(C)CC1=O,0.0
63009,CO-ADD:0302983,-1.58,C1(O)(C2C(=O)CCC(C(C)(C)C)C2)c3c(N(C)C1=O)cccc3,0.0
63010,CO-ADD:0302765,-1.58,c1(C(=O)N(C)C(N2C)=O)c2nc(oc(c3ccc(cc3)Cl)c4)n14,0.0
63011,CO-ADD:0303683,-1.58,c12c(ccc(C)c1C)C(C(=O)N2)=O,0.0
63012,CO-ADD:0302967,-1.58,C(=N/NC(=O)Nc1ccccc1)(/c(cc(OC)cc2)c23)\c(cc(OC)cc4)c34,0.0
63013,CO-ADD:0301490,-1.58,C(/SC(N1CCC)=S)(\C1=O)=C(/S\C(\C2=O)=C(/C=Cc(c34)cccc3)\N4CC)\N2c5ccc(cc5)C,0.0
63014,CO-ADD:0303004,-1.58,c1(C#N)c(cc(nc1SCC(=O)c2ccc(c(O)c2)O)C)c3ccco3,0.0
63015,CO-ADD:0300922,-1.58,N1(c2ccccc2)C(=O)C(Cc3cccc(Br)c3)=C(N=C1Nc4ccccc4)O,0.0
63016,CO-ADD:0305205,-1.58,S(=O)(=O)(c(cccc1C(OC)=O)c1)Nc(cc2)ccc2C(OCC)=O,0.0
63017,CO-ADD:0304867,-1.58,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(C)c4)c5ccc(cc5)Cl,0.0
63018,CO-ADD:0300746,-1.58,N1=C(CCl)c(c2CC1(C)C)cccc2.Cl,0.0
63019,CO-ADD:0300411,-1.58,[N+](=O)([O-])c1ccc(cc1N)C(=O)c(cc2)cc(c2[N+](=O)[O-])N,0.0
63020,CO-ADD:0300443,-1.58,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3C(=O)c4ccccc4F)C1=O,0.0
63021,CO-ADD:0302930,-1.58,N1(c2ccc(c(Cl)c2)N(CC3)CCO3)C(c4ccccc4)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
63022,CO-ADD:0303479,-1.58,N1(c2ccccc2)C(CSc3n(C)c4c(cccc4)n3)=Nc(c5C1=O)cccc5,0.0
63023,CO-ADD:0303493,-1.58,c1(C2(CCCCC2)N(CC3)CCO3)nnnn1c(cccc4C(F)(F)F)c4,0.0
63024,CO-ADD:0302876,-1.58,C1(c(cccc2NC(=O)c3cccs3)c2)=Nc(c4C(=O)O1)cccc4,0.0
63025,CO-ADD:0303529,-1.58,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c3ccc(C)s3,0.0
63026,CO-ADD:0301623,-1.58,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4)cc(c4OC(C5CCCCC5)=O)OCC)cc(c(C)c3)C,0.0
63027,CO-ADD:0217866,-1.58,c1(cc(OC)ccc1NC(CSc2c(C#N)cc(c(N)n2)C#N)=O)[N+](=O)[O-],0.0
63028,CO-ADD:0310834,-1.58,n1(\N=C/c(cc2)ccc2OC)c3c(nn1)cccc3,0.0
63029,CO-ADD:0305453,-1.58,c1(c(O)ccc(c1)[N+](=O)[O-])C2N(CCCN2Cc3ccccc3)Cc4ccccc4,0.0
63030,CO-ADD:0305959,-1.58,C(C#N)(=C(S)NC(C1c2scc(c3ccc(cc3)C)n2)=N)C14CCCCC4,0.0
63031,CO-ADD:0218466,-1.58,c(\C=N\NC(COc1ccc(cc1Cl)Cl)=O)(cc(Br)cc2Br)c2OC,0.0
63032,CO-ADD:0300660,-1.59,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2ccc(cc2)CC,0.0
63033,CO-ADD:0300708,-1.59,N(CN(CC1)CCN1C(c2ccccc2)c3ccccc3)(N=C(N4C)c5ccc(c(OC)c5)OC)C4=S,0.0
63034,CO-ADD:0300997,-1.59,N1(c2ccccc2C)C(C)(CCc(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
63035,CO-ADD:0301208,-1.59,N1(c(cc2)ccc2N(C)C)C(c3ccccc3)Nc(c4C1=O)cccc4,0.0
63036,CO-ADD:0301138,-1.59,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5OCC)cc(c5O)Cl)cccc4,0.0
63037,CO-ADD:0305837,-1.59,c1(NC(=O)c2cccc(Br)c2)sc(c3c1C(OCC)=O)CCCCC3,0.0
63038,CO-ADD:0306726,-1.59,C1(\C=C\c(cc2)ccc2N(C)C)N(CCCN1Cc3ccccc3)Cc4ccccc4,0.0
63039,CO-ADD:0306238,-1.59,S(=O)(=O)(Nc1cc(on1)C)c2c(C(C)C)cc(cc2C(C)C)C(C)C,0.0
63040,CO-ADD:0310775,-1.59,C1(C(OCCOC)=O)=C(C)NC(=C2C1c3cc(OC)c(cc3Br)OC)CCCC2=O,0.0
63041,CO-ADD:0305647,-1.59,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(ccc(c34)cccc3)c4)C2c5ccccc5,0.0
63042,CO-ADD:0306301,-1.59,C(F)(F)(F)c(cc1)ccc1C(=O)Nc(cc2)ccc2OCc3ccccc3,0.0
63043,CO-ADD:0303086,-1.59,c1(N(CC2)CCN2C(c3ccccc3)c4ccccc4)scc(c5ccc(cc5)Cl)n1,0.0
63044,CO-ADD:0303532,-1.59,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4cc(OC)c(cc4OC)Br)cc(c(C)c3)C,0.0
63045,CO-ADD:0304281,-1.59,C1(C2c3ccc(cc3)OC)=C(CCCC1=O)c4c(ccc(cccc5)c45)N2.Cl,0.0
63046,CO-ADD:0304667,-1.59,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3ccccc3C(OCC)=O,0.0
63047,CO-ADD:0304844,-1.59,n(c(c(cc1)ccc1C(NCCO)=O)c2c(c3Nc(cc4)ccc4OC)cccc2)n3,0.0
63048,CO-ADD:0300939,-1.59,C(=O)(Nc(ccc(c1C)Br)c1)C(NCCCn(ccn2)c2)=O,0.0
63049,CO-ADD:0300364,-1.59,n1(Cc2ccccc2C)c3c(nc1SCC)cccc3,0.0
63050,CO-ADD:0304234,-1.59,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N2CC(CC2C3)(C)CC3(C)C,0.0
63051,CO-ADD:0302845,-1.59,N1c(ccc(c2)[N+](=O)[O-])c2C3C(CC=C3)C1c(cc4OC)cc(c4OCC)Br,0.0
63052,CO-ADD:0311535,-1.59,n1(N)c(SCC(=O)Nc(cccc2C(F)(F)F)c2)nnc1c3ccc(cc3)Br,0.0
63053,CO-ADD:0305939,-1.59,c1(NC(COc(cc2)ccc2Cl)=O)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
63054,CO-ADD:0305901,-1.59,N1(CCc(cccc2)c12)C(=O)COc(cc3)ccc3[N+](=O)[O-],0.0
63055,CO-ADD:0312584,-1.59,C1=C[C@@]2([C@]([C@]34C(OC)=O)(C(OC)=O)[C@@]5(O[C@H]3C=C5)COC2)O[C@H]14,0.0
63056,CO-ADD:0300293,-1.59,N(C)(C(=O)C(Cc(cc1)ccc1OCCCC)C(N2C)=O)C2=O,0.0
63057,CO-ADD:0301230,-1.59,c1(SCC(=O)Nc2ncccn2)sc(c3n1)cccc3,0.0
63058,CO-ADD:0300310,-1.6,C(=O)(Nc(ccc(c1C)Br)c1)C(=O)NCc(cccn2)c2,0.0
63059,CO-ADD:0300350,-1.6,N(CN1CCCC1)(N=C(N2c3ccccc3)Cc4ccccc4)C2=S,0.0
63060,CO-ADD:0301055,-1.6,C(C1(CCCCC1)O)#Cc(cc2)ccc2C(=O)OCC(=O)c3ccc(cc3)Br,0.0
63061,CO-ADD:0300666,-1.6,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(ccc4[N+](=O)[O-])s4)cc(c(C)c3)C,0.0
63062,CO-ADD:0300467,-1.6,c1(C(O)=O)c2c(oc1C)ccc(O)c2,0.0
63063,CO-ADD:0300442,-1.6,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3C(=O)c4ccccc4F)C1=O,0.0
63064,CO-ADD:0319680,-1.6,C1(=C(CC(c(cc2)ccc2C(C)(C)C)CC1=O)Nc(c3N4C(CC)=O)cccc3)C4c5cccs5,0.0
63065,CO-ADD:0319761,-1.6,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)Cl)Nc2sc3c(CCC(C(C)(C)C)C3)c2C#N,0.0
63066,CO-ADD:0310807,-1.6,c1(C2c3ccccc3OCCC)c([nH]nc1c(ccc(c45)OCO4)c5)OC(N)=C2C#N,0.0
63067,CO-ADD:0307565,-1.6,C(/C#N)(=C/c(ccc1c2ccc(cc2)Cl)o1)\C(=O)Nc3ccccc3C(OCC)=O,0.0
63068,CO-ADD:0312189,-1.6,n(c(c(cc1)ccc1[N+](=O)[O-])nn2CC(=O)Nc3ccc(cc3C)C)c2SCC(=O)Nc4ccc(cc4C)C,0.0
63069,CO-ADD:0311736,-1.6,c1(C(NCCOc2ccccc2)=O)nonc1N,0.0
63070,CO-ADD:0311340,-1.6,S(=O)(=O)(N1CCCCCC1)c2c(C)cc(c(C)c2)Br,0.0
63071,CO-ADD:0312324,-1.6,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)Br)n1Cc5ccccn5,0.0
63072,CO-ADD:0306166,-1.6,n1c(N)[nH]nc1c2cc(OC)cc(OC)c2,0.0
63073,CO-ADD:0304111,-1.6,C(C#N)(=C(C)\C(=C/c(ccc1c2ccc(cc2)Cl)o1)\C(N3C)=O)C3=O,0.0
63074,CO-ADD:0302938,-1.6,N1(c2ccc(c(Cl)c2)N(CC3)CCO3)C(c4ccc(cc4)OCc5ccccc5)N(N=C1C(C)=O)c6ccc(cc6)Cl,0.0
63075,CO-ADD:0303798,-1.6,N1(C(C#N)c2ccc(c(OC)c2)OC)C(c3ccccc3)CC(c4ccccc4)=N1,0.0
63076,CO-ADD:0302850,-1.6,N1(CCC(O)=O)C(=O)\C(\SC1=S)=C\c(cc2)ccc2N(CC)CC,0.0
63077,CO-ADD:0302589,-1.6,N1(c(cc2)ccc2C(=O)N(CC)c3ccccc3)C(=O)C(C4C1=O)C5CC4C=C5,0.0
63078,CO-ADD:0303800,-1.6,[n+]1(c(c(ccc1)c2)c(S3)cc2)C3.[I-],0.0
63079,CO-ADD:0305217,-1.6,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCOc3ccccc3OC)c1C,0.0
63080,CO-ADD:0304845,-1.6,c1(N(CC2)CCO2)c3c(cccc3)c(nn1)c(cc4)ccc4C(NCCO)=O,0.0
63081,CO-ADD:0300357,-1.6,n1(c(cc2)ccc2C(OC)=O)nnnc1SCc3c(C)cc(cc3C)C,0.0
63082,CO-ADD:0303540,-1.6,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)OC(F)(F)F)cccc4,0.0
63083,CO-ADD:0303810,-1.6,[N+](=O)([O-])c1cccc(Cl)c1NCCNC(=O)c2ccccc2Br,0.0
63084,CO-ADD:0302931,-1.6,N1(c2ccc(c(Cl)c2)N(CC3)CCO3)C(c4ccc(c(OC)c4)OC)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
63085,CO-ADD:0302924,-1.6,N1(c2cccc(OC)c2)C(c3ccc(cc3)OCc(cc4)ccc4Cl)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
63086,CO-ADD:0303789,-1.6,C(OCC(F)(F)F)(C(OCC)=O)(C(F)(F)F)NC(=O)Nc1c(Cl)ccc(Cl)c1,0.0
63087,CO-ADD:0303149,-1.6,c1(NC(COc(cc2)ccc2Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc(cc3)ccc3C(OCC)=O,0.0
63088,CO-ADD:0312473,-1.6,[C@H]1(C=C2)O[C@]23[C@@H]([C@@H]1C(OC)=O)C(=O)N(CCc4cc(OC)c(OC)cc4)C3,0.0
63089,CO-ADD:0307157,-1.6,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2C(OCC)=O)nnc1c(cccn3)c3,0.0
63090,CO-ADD:0306219,-1.6,c1(nc(c2n1CC(=O)Nc3ccccc3C(F)(F)F)cccc2)c4nonc4N,0.0
63091,CO-ADD:0305527,-1.6,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3C)CC(O3)C,0.0
63092,CO-ADD:0305915,-1.6,c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc(c3c1C(N)=O)CCCC3,0.0
63093,CO-ADD:0311435,-1.6,C1(C(F)(F)F)(C(F)(F)F)N=C(N(CC2)CCO2)OC(N(CC3)CCO3)=N1,0.0
63094,CO-ADD:0312190,-1.6,c1([N+](=O)[O-])nn(c(Br)n1)CC(=O)Nc2ccccc2,0.0
63095,CO-ADD:0307014,-1.6,N1(c(cc2)ccc2C(C)C)C(=O)C3C(C(CC34)C=C4)C1=O,0.0
63096,CO-ADD:0300887,-1.6,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c4ccccc4F,0.0
63097,CO-ADD:0301087,-1.6,n1(C)cnnc1SCC(=O)Nc(cc2)ccc2\C=C/c3ccccc3,0.0
63098,CO-ADD:0305208,-1.6,c([N+](=O)[O-])(cc(Br)c(c12)nsn1)c2N3CCCCC3,0.0
63099,CO-ADD:0304792,-1.61,c1(sc(c2n1)cccc2)NC(=S)NC(=O)c3ccc(cc3)OC,0.0
63100,CO-ADD:0304896,-1.61,C1(=O)Nc2c(Oc(cc(cc3OC)[N+](=O)[O-])c13)cccc2,0.0
63101,CO-ADD:0319817,-1.61,c1(N2CCCCC2)nc(Nc3ccccc3C)nc(Nc4ccccc4C)n1,0.0
63102,CO-ADD:0319770,-1.61,c12c(ccc(CNC(COc3ccc(cc3Br)Cl)=O)c1)OCO2,0.0
63103,CO-ADD:0319691,-1.61,N(c1c(cccc1)NC(CC(c2ccc(cc2)OC)CC3=O)=C34)(C(=O)c5ccc(cc5)Cl)C4c6ccc(cc6)F,0.0
63104,CO-ADD:0319731,-1.61,C(=C\c(cc1)ccc1OCc2ccccc2F)(/C3=O)\Sc(c34)cccc4,0.0
63105,CO-ADD:0311959,-1.61,c1(N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC4CC4)sc(c(c5ccccc5)n1)CCC,0.0
63106,CO-ADD:0307570,-1.61,C(/C#N)(=C/c(ccc1c(cc2)ccc2[N+](=O)[O-])o1)\C(=O)Nc3ccccc3C(OCC)=O,0.0
63107,CO-ADD:0306979,-1.61,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c4ccc(c(F)c4)F,0.0
63108,CO-ADD:0306704,-1.61,N(/C(CC(C)C)C(=O)[O-])=C\c1ccccc1Cl.[Na+],0.0
63109,CO-ADD:0306764,-1.61,C1(C(=O)OC(C)CC)=C(C)NC(=C2C1c3ccc(c(OCc4ccccc4)c3)OC)CCCC2=O,0.0
63110,CO-ADD:0307133,-1.61,c1(NC(=O)C(OC)(F)C(F)(F)F)sc(c(c2ccccc2)c1C(OCC)=O)CC,0.0
63111,CO-ADD:0305680,-1.61,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cccc(OC)c2)(C(=O)Nc3ccccc3OC)C1c4ccco4,0.0
63112,CO-ADD:0305929,-1.61,c1(NC(COc(cc2)cc(c2[N+](=O)[O-])C)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
63113,CO-ADD:0305922,-1.61,c1(C(OCC)=O)c(c2ccccc2)csc1NC(COc(cc3)ccc3[N+](=O)[O-])=O,0.0
63114,CO-ADD:0306887,-1.61,c(c1c(cc2)ccn2)(C3c4cc(OC)ccc4OC)c([nH]n1)OC(N)=C3C#N,0.0
63115,CO-ADD:0302928,-1.61,c1(ccc(cc1Cl)NCc(ccc(c23)OCO2)c3)N(CC4)CCO4,0.0
63116,CO-ADD:0301933,-1.61,N1(CN2CCCCCC2)c(cccc3)c3\C(=N\c(cc4)ccc4C(OCC)=O)\C1=O,0.0
63117,CO-ADD:0303184,-1.61,C1(C2c3ccccc3Br)=C(CC(c4ccccc4)CC1=O)NC(C)=C2C#N,0.0
63118,CO-ADD:0302369,-1.61,N(CC1)(CCN1CC(=O)Nc2ccccc2Cl)c3ccc(cc3)Cl,0.0
63119,CO-ADD:0301592,-1.61,[C@]123[C@](c4c(cccc4)C1=O)(OC(C)=C2C(OCCCC)=O)OC(N)=C3C#N,0.0
63120,CO-ADD:0304370,-1.61,N1(C(=O)OCC(C)C)c(cc2)c(OC1=O)cc2S(=O)(=O)N3CCCCC3,0.0
63121,CO-ADD:0303488,-1.61,C1(CCCCC1)(N(CC)C(=O)Cc(c2c([nH]3)cccc2)c3)C(=O)Nc4cccc(C)c4,0.0
63123,CO-ADD:0301951,-1.61,N1(CN(Cc2ccccc2)Cc3ccccc3)C(=O)\C(\SC1=S)=C/c4ccccc4OC,0.0
63124,CO-ADD:0303094,-1.61,S(=O)(=O)(c(ccc(c1C(OC)=O)Cl)c1)N(CCCN2S(=O)(=O)c(ccc(c3C(OC)=O)Cl)c3)CC2,0.0
63125,CO-ADD:0301936,-1.61,C1(OC(CO1)CCl)(c2c(N3CN(CC4)CCO4)cccc2)C3=O,0.0
63126,CO-ADD:0301979,-1.61,c1(C(=O)c2ccc(cc2)Cl)oc(c3c1NC(CCl)=O)cccc3,0.0
63127,CO-ADD:0312537,-1.61,c(cc1[N+]([O-])=O)([C@H]([C@@H](C(N(C2)Cc3ccccc3)=O)C2C4)C(OC)=O)c4o1,0.0
63128,CO-ADD:0305551,-1.61,[N+](=O)([O-])c1c(NCCNC(C)=O)ccc(Cl)c1,0.0
63129,CO-ADD:0306276,-1.61,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2cccc(Cl)c2,0.0
63130,CO-ADD:0305725,-1.62,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OC)c4)OC(C)=O,0.0
63131,CO-ADD:0310986,-1.62,c12c(n(c(N3CCCCC3)n1)CC\N=C\N(C)C)C(N(C)C(=O)N2C)=O.Cl,0.0
63132,CO-ADD:0311434,-1.62,N(C(CSCC(=O)Nc(cc1)ccc1OCCCC)=O)c2ccccc2Br,0.0
63133,CO-ADD:0311072,-1.62,N1(CC(=O)Nc(ccc(c2F)F)c2)c3c(c4C1=O)c(ccc3)ccc4,0.0
63134,CO-ADD:0311193,-1.62,N1(CC(O)COc(cc2)ccc2Cl)C(=O)C(NC1=O)(C)C,0.0
63135,CO-ADD:0305774,-1.62,c1(NC(COc(cc2)ccc2F)=O)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
63136,CO-ADD:0305086,-1.62,N1(c2cccc(C)c2)C(=O)NC(\C(=C\c3ccccc3OCCOc(cc4)ccc4[N+](=O)[O-])\C1=O)=O,0.0
63137,CO-ADD:0305047,-1.62,[C@@H]1(Oc(cc2)ccc2\C=N\NC(Cc3ccccc3)=O)O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O,0.0
63138,CO-ADD:0304593,-1.62,c1(cc(ccc1OC)C=O)OC(CC)=O,0.0
63139,CO-ADD:0320556,-1.62,[nH]1c(C)c(c(c(ccc2C)C)c12)CCN,0.0
63140,CO-ADD:0306038,-1.62,c1(ccoc1CNC(=O)c2occc2C)C(O)=O,0.0
63141,CO-ADD:0305638,-1.62,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3ccc(cc3C)C)C2c4ccccc4OCC,0.0
63142,CO-ADD:0306034,-1.62,c1(ccccc1SCC(=O)NC2CCCCC2)C(O)=O,0.0
63143,CO-ADD:0312136,-1.62,C(C(OCC)=O)(C(F)(F)F)(NC(OCC)=O)Nc1sc(c(CCN2C)c1C(OCC)=O)C2,0.0
63144,CO-ADD:0304362,-1.62,C(NNc1ccccc1C)(C(F)(F)F)(C(F)(F)F)NC(=O)c2ccc(cc2)OC,0.0
63145,CO-ADD:0303966,-1.62,N1(c2ccc(cc2)OCCCC)CC(CC1=O)C(OC)=O,0.0
63146,CO-ADD:0304821,-1.62,C(C(=O)C(C)(C)C)(C1c2ccccc2)=C(O)C(N1CCCCCC(O)=O)=O,0.0
63147,CO-ADD:0300634,-1.62,c1(NC(COc2ccccc2C)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3C(OCC)=O,0.0
63148,CO-ADD:0300771,-1.62,c1(cc(Cl)cc(Cl)c1O)C2N(CCCN2Cc(cc3)ccc3OC)Cc(cc4)ccc4OC,0.0
63149,CO-ADD:0305150,-1.62,C(C(OC)=O)(=CN(CC)C=C1C(OC)=O)C1c2ccc(cc2OC)OC,0.0
63150,CO-ADD:0300764,-1.62,N(CN(CC1)CCC1C(N)=O)(N=C(N2C)c3ccco3)C2=S,0.0
63151,CO-ADD:0304968,-1.62,N(CC1C)(CC(O1)C)C(=O)c(cc(cc2C(=O)N(CC3C)CC(O3)C)[N+](=O)[O-])c2,0.0
63152,CO-ADD:0302806,-1.62,c12c(C(N(C)C(=O)N1C)=O)n(c(Cl)n2)CC(C)C,0.0
63154,CO-ADD:0310861,-1.62,C1(N(c2ccc(cc2)C)CCN1c3ccc(cc3)C)c4cc(Cl)cc(COCO5)c45,0.0
63155,CO-ADD:0311138,-1.62,n1(c2c(nc1SCc3ccccc3)cccc2)C(=O)c4ccccc4F,0.0
63156,CO-ADD:0311113,-1.62,c12n(ncn1)C(C=C(c3ccc(cc3)Cl)N2)c4ccc(cc4)C,0.0
63157,CO-ADD:0307296,-1.62,N(C(=O)c1ccc(cc1Cl)Cl)C(=S)N(CC2)CCN2c3ccccc3OC,0.0
63158,CO-ADD:0311724,-1.62,N1(c2ccccc2)C(S)=Nc(c3C1=O)cc(c(OC)c3)OC,0.0
63159,CO-ADD:0312197,-1.62,n1(c2ccccc2)nc(c(CCC#N)c1O)C,0.0
63160,CO-ADD:0312240,-1.62,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cc4OC)cc(c4OC)OC,0.0
63161,CO-ADD:0307062,-1.62,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(=O)c3ccccc3F)F,0.0
63162,CO-ADD:0306938,-1.62,c(c1c2ccccc2)(C3c(cc(OCC)c(c4[N+](=O)[O-])O)c4)c([nH]n1)OC(N)=C3C#N,0.0
63163,CO-ADD:0311674,-1.62,C(=C/c1ccccc1OC)(/C(=O)NN2c3ccc(cc3)F)\C2=O,0.0
63164,CO-ADD:0304471,-1.62,n12c(ccc(cccc3)c13)nnc2c4ccc(cc4)CC,0.0
63165,CO-ADD:0304591,-1.62,c1(ccc(cc1OCC)C=O)OC(CC)=O,0.0
63166,CO-ADD:0304980,-1.62,N1(c2sccn2)C(=O)C(C(C3c4c5cccc4)C1=O)C5c(c36)cccc6,0.0
63167,CO-ADD:0304454,-1.63,c1(cn(c(C)n1)CC(NCCCO)=O)[N+](=O)[O-],0.0
63168,CO-ADD:0305447,-1.63,c(cc(Cl)cc1Cl)(\C=N/c2c(ccc(Cl)c2)OCc3cccc(OC)c3)c1O,0.0
63169,CO-ADD:0311269,-1.63,C(=C\c1ccco1)(/NC(=O)c2ccccc2I)\C(=O)Nc3cccc(C)c3,0.0
63170,CO-ADD:0306980,-1.63,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c4ccc(cc4F)F,0.0
63171,CO-ADD:0305720,-1.63,N1(C(c2ccc(cc2)OC)C#N)C(C)(C)CC(C)=N1,0.0
63172,CO-ADD:0312024,-1.63,c12c(CCNC1c(cc3)ccc3N(C)C)cc(c(OC)c2)OCC,0.0
63173,CO-ADD:0310755,-1.63,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(cc3OC)OC,0.0
63174,CO-ADD:0305944,-1.63,c1(NC(=O)c2ccc(cc2)Cl)sc(c(C)c1C(OC)=O)C,0.0
63175,CO-ADD:0305938,-1.63,c1(NC(=O)c2ccccc2OC)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
63176,CO-ADD:0305878,-1.63,c1(NC(=O)c2cccc(Cl)c2)sc(c3c1C(OCC)=O)CCCCC3,0.0
63177,CO-ADD:0306344,-1.63,N1(c2cccc(OC)c2)C(=O)\C(=C\c(cc3OC)cc(c3OC)OC)\C(NC1=S)=O,0.0
63178,CO-ADD:0311976,-1.63,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C(C)=O,0.0
63179,CO-ADD:0301815,-1.63,C(C(OC)=O)(C1c(cc2)ccc2C(F)(F)F)=C(C)N(C(C)=C1C(OC)=O)C,0.0
63180,CO-ADD:0302094,-1.63,C(=O)(NC(C)(C)C)c1ccccc1N,0.0
63181,CO-ADD:0303036,-1.63,C(CCCCCCCCC)(NCCCCCC(O)=O)=O,0.0
63182,CO-ADD:0305296,-1.63,C(=O)(N\N=C(/C)\c1ccc(cc1)OCC)C(O)(c2ccc(cc2)C)c3ccc(cc3)C,0.0
63183,CO-ADD:0305083,-1.63,N1=C(SCC(c2ccccc2)=O)NC(C(C[Si](C)(C)CC)=C1O)=O,0.0
63184,CO-ADD:0300796,-1.63,c1(NC(=O)c2cccc(C)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OC,0.0
63185,CO-ADD:0300620,-1.63,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)O)cccc4,0.0
63186,CO-ADD:0300492,-1.63,c12c(C(N(C)C(=O)N1C)=O)n(c(Cl)n2)CC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
63187,CO-ADD:0301303,-1.63,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3CC)C2c4ccco4,0.0
63188,CO-ADD:0301741,-1.63,c1(NCNc2nonc2C#N)nonc1C#N,0.0
63189,CO-ADD:0302623,-1.63,N1(c2ccc(cc2)C)C(\C=C\c(cccn3)c3)=Nc(c4C1=O)cccc4,0.0
63190,CO-ADD:0304204,-1.63,N1(c2ccc(cc2)OCC)CC(CC1=O)C(NCCCOC(C)C)=O,0.0
63191,CO-ADD:0307219,-1.63,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c4cccc(OC)c4OCc(cc5)ccc5F,0.0
63192,CO-ADD:0305980,-1.63,c(C(OCC)=O)(c(cc(O)c(c12)cccc1)c2n3CCOc(cc4)ccc4C(C)(C)c5ccccc5)c3C,0.0
63193,CO-ADD:0311903,-1.63,c1(C(OC)=O)c(cc(O)cc2)c2n(CCOc(cc3)ccc3CC)c1C,0.0
63194,CO-ADD:0312476,-1.63,[C@H]12O[C@]3([C@@H]([C@H]1C(=O)OCC)C(=O)N(C3)Cc4ccccc4)C=C2,0.0
63195,CO-ADD:0312548,-1.63,c1cc(C(=O)C(CC(C2)[C@]34O[C@H]2C=C3)C4N5C)c5cc1,0.0
63196,CO-ADD:0217954,-1.63,c12c(ccc(N)n1)C(C)=CC(=O)N2,0.0
63197,CO-ADD:0217896,-1.63,n1c(N)c(C#N)cc(C#N)c1SCC(=O)Nc(cc2)ccc2Cl,0.0
63198,CO-ADD:0300899,-1.63,[N+](=O)([O-])c1ccc(cc1NCc(cc2)ccc2Cl)N(CC3)CCN3C(=O)c4ccc(cc4)C,0.0
63199,CO-ADD:0300275,-1.64,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(cc3)ccc3C(C)C)\C1=O)=O,0.0
63200,CO-ADD:0301164,-1.64,N1=C(SC)NC(CC1(CC(c2ccccc2)c3c4cc(c(Cl)c3)O)O4)(C)C.I,0.0
63201,CO-ADD:0300300,-1.64,N(C)(C(=O)C(Cc(cc1)ccc1OCC)C(N2C)=O)C2=O,0.0
63202,CO-ADD:0320298,-1.64,C(CSc1cccc(cccn2)c12)(=O)N\N=C\c(cc3)ccc3O,0.0
63203,CO-ADD:0307095,-1.64,c1(cccc(F)c1F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(CC)=O,0.0
63204,CO-ADD:0311839,-1.64,c1(N(CC2)CCN2C)nc(OCC(F)(F)F)nc(Nc(cc3)ccc3OC(F)(F)F)n1,0.0
63205,CO-ADD:0306216,-1.64,N1(c2ccc(c(Cl)c2)C)C(=O)\C(\SC1=N)=C\c3ccccc3OCc4ccc(cc4Cl)Cl,0.0
63206,CO-ADD:0310764,-1.64,C1(C(OCCOCCC)=O)=C(C)NC(=C2C1c3cccc(cccc4)c34)CCCC2=O,0.0
63207,CO-ADD:0312078,-1.64,n1(c2ccccc2)c(SCC(NCCc(ccc(c3OC)OC)c3)=O)nnc1c4cccc(F)c4,0.0
63208,CO-ADD:0312155,-1.64,c12c(nnc(SCC(=O)N(CC3)CCO3)n1)c4c(cccc4)n2CCC,0.0
63209,CO-ADD:0306051,-1.64,N1C(c2ccc(cc2)Cl)C(CCC3)C3c(cccc4N)c14,0.0
63210,CO-ADD:0306217,-1.64,c1(C(O)=O)cc(c(cc2)ccc2C(C)(C)C)nc(ccc(cccc3)c34)c14,0.0
63211,CO-ADD:0303669,-1.64,C(=O)(NCC1CCCO1)C(NCCCC)=O,0.0
63212,CO-ADD:0301791,-1.64,c1(Nc(cc2)ccc2O)nc(C)cc(C)n1,0.0
63213,CO-ADD:0303769,-1.64,C1(=Cc(cc(Cl)cc2Cl)c2OC1=O)c3csc(\C(\C#N)=C\c4sccc4C)n3,0.0
63214,CO-ADD:0304267,-1.64,N1(c(cc2)ccc2N(C)C)C(c3cc(Cl)cc(Cl)c3OCc4ccccc4)N(N=C1C(C)=O)c5ccccc5,0.0
63215,CO-ADD:0301549,-1.64,S(=O)(=O)(N(CC1)CCO1)c(c(Cl)cc(c2C(=O)N(CC3)CCO3)Cl)c2,0.0
63216,CO-ADD:0304872,-1.64,c12c(n(c(N\N=C\c(cc3)ccc3N(C)C)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
63217,CO-ADD:0304737,-1.64,n1(C(C)C(=O)Nc(ccc(c23)OCCO2)c3)nnc(c4ccccc4)n1,0.0
63218,CO-ADD:0305241,-1.64,n1(c2ccc(cc2)Cl)nnnc1SCc(cc3)ccc3OC(F)(F)C(F)F,0.0
63219,CO-ADD:0302518,-1.64,C(N)(=S)Nc(cc1)ccc1C,0.0
63220,CO-ADD:0304337,-1.64,n1c(C)scc1c(cccc2NC(C(C)C)=O)c2,0.0
63221,CO-ADD:0303921,-1.64,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c(ccc(c34)OCO3)c4,0.0
63222,CO-ADD:0302096,-1.64,C(CNC(=O)\C=C/c1ccco1)(CC(CC23)CC4(C2)CNC(=O)\C=C/c5ccco5)(C3)C4,0.0
63223,CO-ADD:0301733,-1.64,C(=C/c1ccccc1OCCOc(cc2)ccc2C(C)(C)C)(/C(=O)NC(N3)=O)\C3=O,0.0
63224,CO-ADD:0301735,-1.64,N1(c2cccc(C)c2)C(=O)NC(\C(=C\c3ccccc3OCCOc(cc4)ccc4C(C)(C)C)\C1=O)=O,0.0
63225,CO-ADD:0302640,-1.64,c1(NC(COc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc(cc3)ccc3OC,0.0
63226,CO-ADD:0302616,-1.64,N1(c2ccccc2C)C(\C=C\c(cccn3)c3)=Nc(c4C1=O)cccc4,0.0
63227,CO-ADD:0311689,-1.64,c1(c2ccccc2F)nnn(Cc3ccccc3Cl)n1,0.0
63228,CO-ADD:0305525,-1.64,S(C)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NCc(cc3)ccc3Cl,0.0
63229,CO-ADD:0218136,-1.64,c1(c(cccc1C(=O)Nc(cccn2)c2)OCc3ccccc3)[N+](=O)[O-],0.0
63230,CO-ADD:0217944,-1.64,C1(=O)c2c(cccc2OC(C)=O)C(c(cccc3OC(C)=O)c13)=O,0.0
63231,CO-ADD:0218024,-1.64,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Cl)cc4Cl)c4O)ccc(C(C)CCC)c2,0.0
63232,CO-ADD:0306913,-1.64,c1(noc(C(C)Oc(ccc(c2C)Cl)c2)n1)c3nonc3N,0.0
63233,CO-ADD:0306064,-1.64,N1C(=O)C(C#N)C(C([n+]2ccccc2)C1=O)c(cccc3[N+](=O)[O-])c3,0.0
63234,CO-ADD:0306032,-1.64,S(=O)(=O)(N(C)C)c(cc1)ccc1C(=O)Nc(cc2)ccc2OCC(=O)N(CC3)CCO3,0.0
63235,CO-ADD:0307354,-1.64,S1(=O)(=O)N(C(C)C)C2C(OC(C(O3)OC(C3N4C(C)C)N(S4(=O)=O)C(C)C)O2)N1C(C)C,0.0
63236,CO-ADD:0304504,-1.64,c1(noc(c2cc(Cl)ccc2OC)n1)c3nonc3N,0.0
63237,CO-ADD:0304465,-1.65,c1(C(=O)NCc2ccco2)nnn(Cc3ccccc3)c1N,0.0
63238,CO-ADD:0304778,-1.65,c1(C(=O)Nc2ccccc2C(F)(F)F)c(CCC(C3)C(C)(C)C)c3sc1NC(=O)C45CC6CC(CC(C6)C4)C5,0.0
63239,CO-ADD:0305268,-1.65,c1(n2)c(C(N(C)C(=O)N1C)=O)n(c23)CC(=NN3Cc4ccccc4)c5cccc(OC)c5,0.0
63240,CO-ADD:0300421,-1.65,N1(c2ccc(cc2)OC(F)(F)F)C(=O)CC(N(CC3)CCN3Cc(cc4)ccc4Cl)C1=O,0.0
63241,CO-ADD:0323459,-1.65,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2C(OCC)=O)nnc1c3ccco3,0.0
63242,CO-ADD:0311863,-1.65,S(=O)(=O)(Nc(cc1)ccc1c2csc(C)n2)c3ccc(c4c3)cccc4,0.0
63243,CO-ADD:0311403,-1.65,[N+](=O)([O-])c(cccc1C(=O)Nc(cc2)ccc2c(cc3)ccc3NC(=O)c(cccc4[N+](=O)[O-])c4)c1,0.0
63244,CO-ADD:0305824,-1.65,c1(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])sc(c3c1C#N)CCC3,0.0
63245,CO-ADD:0310868,-1.65,S(=O)(=O)(c1ccc(cc1)Br)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc4ccccc4,0.0
63246,CO-ADD:0302507,-1.65,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)ccc4C(F)(F)F)\C1=O,0.0
63247,CO-ADD:0302948,-1.65,C(C(OCC)=O)(N(C)N1)=NN(C1c2cccs2)c3ccccc3,0.0
63248,CO-ADD:0301896,-1.65,n1(c(cccc2C)c2n3)c3S\C(=C/c(cc(OCO4)c4c5)c5Cl)\C1=O,0.0
63249,CO-ADD:0300625,-1.65,C1(C(OCCOC(C)C)=O)=C(C)NC(=C2C1c3cc4c(cc3Br)OCO4)CCCC2=O,0.0
63250,CO-ADD:0300837,-1.65,c1(c(c2ccccc2)c(n3)C)n3c(c(C)c(C)n1)C(C)(C)C,0.0
63251,CO-ADD:0305176,-1.65,C(C(=O)OCc1ccccc1)(=C(C)NC(=C23)CCCC2=O)C3c4ccccc4C,0.0
63252,CO-ADD:0303491,-1.65,n1(C(c2ccc(cc2)Cl)c3ccccc3Cl)nnnc1C4(CCCCC4)NCc5ccccc5,0.0
63253,CO-ADD:0304244,-1.65,C(C=CC(N1)=O)(=C1)C(=O)Nc(c(OC)cc(c23)c4c(cccc4)o2)c3,0.0
63254,CO-ADD:0302120,-1.65,N1(c2ccc(cc2)Sc(cc3)ccc3[N+](=O)[O-])C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5cccc(I)c5,0.0
63255,CO-ADD:0302164,-1.65,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccc(c(Br)c5)F)cccc4,0.0
63256,CO-ADD:0304128,-1.65,c1(cc(ccc1OC)C=O)OCc(cc2)ccc2Br,0.0
63257,CO-ADD:0303577,-1.65,N1=C(c2ccc(cc2)Cl)C=CC(=S)N1c3ccccc3,0.0
63258,CO-ADD:0304322,-1.65,N12C(S\C(=C/c(cccn3)c3)\C1=O)=NCN(c(cc4)ccc4C(C)=O)C2,0.0
63259,CO-ADD:0302838,-1.65,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NNC(c(cc3)ccn3)=O,0.0
63260,CO-ADD:0301628,-1.65,c1(NC(Cc(cc2)ccc2OC)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3C(OCC)=O,0.0
63261,CO-ADD:0302150,-1.65,C(F)(F)(F)C(=O)Nc(cc1)ccc1\C=C\C(=O)c2ccco2,0.0
63262,CO-ADD:0304036,-1.65,C(C(C)=O)(C1c2ccc(cc2)O)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
63263,CO-ADD:0302521,-1.65,c1(C(c2ccccc2)=O)c(C)c([nH]c1C(O)=O)C(OCC)=O,0.0
63264,CO-ADD:0306732,-1.65,N1(c2ccccc2Cl)C(c3ccc(c(cccc4[N+](=O)[O-])c4)o3)Nc(c5C1=O)cccc5,0.0
63265,CO-ADD:0307648,-1.65,S(=O)(=O)(N1CCCCC1)c2ccc(c(NC(C)=O)c2C)C,0.0
63266,CO-ADD:0311962,-1.65,C(NC(C)=O)(C(=O)c(cccc1)c1C2=O)=C2N(CC3)CCN3Cc(ccc(c45)OCO4)c5,0.0
63267,CO-ADD:0311494,-1.65,C1(=NCC(C)(C)S1)N(c2ccc(cc2)OC(F)(F)Cl)C(=O)Nc(cc3)ccc3Cl,0.0
63268,CO-ADD:0307146,-1.65,c1(SCC(=O)Nc(cc2)ccc2OC(F)(F)F)sc(c3n1)ccc(Cl)c3,0.0
63269,CO-ADD:0307310,-1.65,N(c1c(cccc1)NC(CC(c2ccc(cc2)OC)CC3=O)=C34)(C(=O)c5cccc(Cl)c5)C4c6cccs6,0.0
63270,CO-ADD:0311479,-1.65,C(=C\NC1CCCC1)(/C(=O)C2)\C(=O)CC2c3ccc(cc3)OC,0.0
63271,CO-ADD:0311483,-1.65,c12c(n(cn1)CC\N=C(/CCC3)\N3)C(N(C)C(=O)N2C)=O.Cl,0.0
63272,CO-ADD:0312410,-1.65,C(=S)(Nc1ccccc1)Nc2cccc(CCc3ccccn3)c2,0.0
63273,CO-ADD:0311549,-1.65,C1(NC(C)C(O)=O)=NC(Cc(cc(OC)c(OC)c2)c12)(C)C,0.0
63274,CO-ADD:0311844,-1.65,n12c(ccc(cccc3)c13)nnc2c(cc4OC)cc(c4OC)OC,0.0
63275,CO-ADD:0306800,-1.65,C(C(OC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c(OCc4ccccc4)c3)OC,0.0
63276,CO-ADD:0307552,-1.66,C(C(OCCOCCC)=O)(C1c2ccc(cc2)Br)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
63277,CO-ADD:0310787,-1.66,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(OC)c3OC,0.0
63278,CO-ADD:0312582,-1.66,C([C@H]1O[C@@]23[C@]([C@@]14[H])([H])[C@@](C5C(OC)=O)(O[C@H]4C5C(OC)=O)COC2)C3,0.0
63279,CO-ADD:0307468,-1.66,C1(C(=O)OCC2CCCO2)=C(C)NC(=C3C1c4ccc(C)o4)CCCC3=O,0.0
63280,CO-ADD:0312112,-1.66,c1(nc(c2n1N(C(CC)=O)C(CC)=O)cccc2)c3nonc3NC(CC)=O,0.0
63281,CO-ADD:0306794,-1.66,C1(C(OCCc2ccccc2)=O)=C(C)NC(=C3C1c4cc(OC)c(cc4OC)OC)CCCC3=O,0.0
63282,CO-ADD:0307283,-1.66,N1(CCc(c2c([nH]3)cccc2)c3C)C(=O)CCC1=O,0.0
63283,CO-ADD:0306819,-1.66,C(C(OCCSCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccc(c3)OCc4ccccc4,0.0
63284,CO-ADD:0311562,-1.66,c12n(c3c(cccc3)n1CC)cc(c4ccc(cc4)Br)n2,0.0
63285,CO-ADD:0306974,-1.66,C(=O)(C(O)(c1ccccc1)c2ccccc2)NN(C(c3ccccc3)c4ccccc4)C(c5ccccc5)=O,0.0
63286,CO-ADD:0306958,-1.66,c1(N(C)C2=O)c(n(cn1)Cc3ccccc3)C(N2Cc(cc4)ccc4C(C)(C)C)=O,0.0
63287,CO-ADD:0306233,-1.66,C(=C\c1cccc(OC)c1OC)(/C(=O)NN2c3ccccc3)\C2=O,0.0
63288,CO-ADD:0306186,-1.66,c1(C(=O)c2sc(c3n2)cccc3)cn(nc1C(C)=O)c4cccc(Cl)c4,0.0
63289,CO-ADD:0307398,-1.66,c1(noc(COc2ccc(cc2C)Cl)n1)c3nonc3N,0.0
63290,CO-ADD:0307120,-1.66,n(c(c1ccc(cc1)Cl)c2c(c3Sc(cc4C(C)(C)C)cc(c4O)C(C)(C)C)cccc2)n3,0.0
63291,CO-ADD:0301326,-1.66,c12c(nnc(SCC(=O)N(C)c3ccccc3)n1)c4c(cccc4)n2Cc5ccccc5,0.0
63292,CO-ADD:0302781,-1.66,N1(CC)\C(=N\CC)\S\C(=C\c(ccc2c3ccccc3F)o2)\C1=O,0.0
63293,CO-ADD:0300770,-1.66,N(CN1CCCCC1)(N=C(N2C)c3ccco3)C2=S,0.0
63294,CO-ADD:0300574,-1.66,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CN(CC3)CCN3c4ccccc4,0.0
63295,CO-ADD:0303557,-1.66,C(C#N)(C(CC(N1)=O)c2ccc(c(OCC)c2)O)=C1SCC(=O)Nc3cccc(C)c3C,0.0
63296,CO-ADD:0301312,-1.66,N1(c2ccccc2)CC(CC1=O)C(NCCO)=O,0.0
63297,CO-ADD:0301283,-1.66,c1(SCC(N)=O)n(CCO)c2c(cccc2)n1,0.0
63298,CO-ADD:0301715,-1.66,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(ccc(c3OC)OCCBr)c3)\C1=O)=O,0.0
63299,CO-ADD:0301445,-1.66,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
63300,CO-ADD:0302105,-1.66,C(=O)(Nc(cc1)ccc1C(O)=O)c2ccccc2NC(=O)\C=C\c3ccco3,0.0
63301,CO-ADD:0303907,-1.66,C(C(OCCc1ccccc1)=O)(C2c(cc3)ccc3C(F)(F)F)=C(C)NC(CCCC4=O)=C24,0.0
63302,CO-ADD:0311021,-1.66,C(=C/c1cccc(F)c1)(/NC(=O)c2ccccc2Br)\C(=O)N(CC3)CCN3C,0.0
63303,CO-ADD:0310972,-1.66,C(C(OCC)=O)(NC(CCCC)=O)(C(F)(F)F)Nc1sc(c(CCN2C)c1C(OCC)=O)C2,0.0
63304,CO-ADD:0311218,-1.67,C(=O)(N(CC1)CCO1)c2ccccc2O,0.0
63305,CO-ADD:0311312,-1.67,n1(cnc(cc(C)c(C)c2)c12)S(=O)(=O)c3ccc(c(C)c3)OC,0.0
63306,CO-ADD:0307610,-1.67,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3cc(N4CCCC4)c(cc3[N+](=O)[O-])F,0.0
63307,CO-ADD:0307635,-1.67,S(=O)(=O)(c1ccc(cc1)NC(COc(cc2)ccc2CC)=O)N3CCCCC3C,0.0
63308,CO-ADD:0307103,-1.67,S(=O)(=O)(NC(C)(C)C#C)c(c(C)ccc1c(c2c3cccc2)nnc3Nc4ccccc4C)c1,0.0
63309,CO-ADD:0324052,-1.67,c1(cc(F)c(cc1N(CC2)CCN2C(CC)=O)N3CCCCCC3)[N+](=O)[O-],0.0
63310,CO-ADD:0324661,-1.67,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c(cc3)ccc3C(C)C,0.0
63311,CO-ADD:0321249,-1.67,[N+](=O)([O-])c1ccccc1C(=O)NCC(CC2)(CCO2)c3ccccc3,0.0
63312,CO-ADD:0319241,-1.67,c1(cccc(cccn2)c12)NC(COc(ccc(c34)cccc3)c4)=O,0.0
63313,CO-ADD:0321290,-1.67,C1(C(OCC)=O)=C(C)NC(SCC=C)=NC1c2ccccc2,0.0
63314,CO-ADD:0324525,-1.67,C12=C(CC(C)(C)CC1=O)Nc(ccc3c4cccn3)c4C2c5ccc(c(OCC)c5)O,0.0
63315,CO-ADD:0320364,-1.67,c12c(non1)nc(OC)c(Nc(cc3)ccc3C)n2,0.0
63316,CO-ADD:0320494,-1.67,C(=N/c(cccc1C(F)(F)F)c1)(/SC(C(=O)Nc(cc2)ccc2OC(Cl)(F)F)CC3=O)\N3C,0.0
63317,CO-ADD:0318685,-1.67,c1(C(OC)=O)sc(c2c1NC(=O)C(OC)(F)C(F)(F)F)cc(cc2[N+](=O)[O-])[N+](=O)[O-],0.0
63318,CO-ADD:0318854,-1.67,c1(C2c(cc3OC)cc(c3OC)OC)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
63319,CO-ADD:0318894,-1.67,n1(c2c(C)cc(cc2C)C)nnnc1SCC(=O)Nc(cc3)ccc3OC(F)(F)Cl,0.0
63320,CO-ADD:0318918,-1.67,[N+](=Nc(ccc(c1SCc2ccccc2)C#N)c1)=[N-],0.0
63321,CO-ADD:0326027,-1.67,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N(CCNC(Cc2ccccc2)=O)S(=O)(=O)c3cccc(c3)[N+](=O)[O-],0.0
63322,CO-ADD:0327770,-1.67,C(=O)(C(CNCCc(c1c([nH]2)ccc(OC)c1)c2C)=C(N3C)C)N3c4ccccc4,0.0
63323,CO-ADD:0328692,-1.67,C1(=O)C(N)c2c(cccc2)N1.Cl,0.0
63324,CO-ADD:0329136,-1.67,N#CCc(cc1)ccc1NC(COc(cc2)ccc2CCC)=O,0.0
63325,CO-ADD:0326291,-1.67,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc(ccc(c4OCC)OCC)c4)c5ccc(cc5)OC,0.0
63326,CO-ADD:0326260,-1.67,C=CCN1C(c2cccs2)=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C1=S,0.0
63327,CO-ADD:0328118,-1.67,C1(=Cc(cccc2OC)c2OC1=O)C(=O)NC(c3ccccc3Cl)CC(OCC)=O,0.0
63328,CO-ADD:0332581,-1.67,S(CC)(=O)(=O)N(CC1)CCN1c2c(cccc2[N+](=O)[O-])Cl,0.0
63329,CO-ADD:0331790,-1.67,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OC)c4)O,0.0
63330,CO-ADD:0332596,-1.67,C(C(N)=O)(SC(N1C)=S)=C1N,0.0
63331,CO-ADD:0332049,-1.67,c1(nc(c2ccccc2)cc3C(F)F)n3ncc1C(=O)N4CCCCC4c(cccn5)c5,0.0
63332,CO-ADD:0331929,-1.67,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc(cc3)ccc3Oc4ccccc4,0.0
63333,CO-ADD:0332095,-1.67,[N+](=O)([O-])c(c(C)ccc1C(=O)N(CC2)CCN2c3ccc(c(Cl)c3)Cl)c1,0.0
63334,CO-ADD:0331759,-1.67,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(O)c4,0.0
63335,CO-ADD:0331009,-1.67,c1(C(N)=O)c(Cl)c(c2s1)ccc(OC)c2,0.0
63336,CO-ADD:0331025,-1.67,C1(C(F)(F)F)(NC(=O)c2cccs2)C(=O)N(C(=O)N1)C,0.0
63337,CO-ADD:0330965,-1.67,c12c(c(n[nH]1)c3ccc(cc3)F)C(N(c4ccccc4)C2=O)c5ccc(cc5)C,0.0
63338,CO-ADD:0332522,-1.68,c1(cc(C)c(cc1NCC(C)O)N)[N+](=O)[O-],0.0
63339,CO-ADD:0331337,-1.68,c1(NC(CCCC)=O)sc2c(CC(NC2(C)C)(C)C)c1C#N,0.0
63340,CO-ADD:0323270,-1.68,n1c(O)cc(nc1SCC(=O)NCC(C2)(C3)CC(CC3C4)CC24)CCC,0.0
63341,CO-ADD:0323631,-1.68,C1(Cc2ccccc2)(C(OC)=O)C(=O)OC(C(C)(C)C1=O)c3ccccc3,0.0
63342,CO-ADD:0320313,-1.68,c(C#N)(c1c2ccc(cc2)OC(CCC)=O)c(NC(CCC)=O)cc(SCc3ccccc3)c1C#N,0.0
63343,CO-ADD:0321412,-1.68,S(=O)(=O)(NCC(C1)(CC(C2)CC3CC12)C3)c4cccc(nsn5)c45,0.0
63344,CO-ADD:0324054,-1.68,c1(cc(F)c(cc1N(CC2)CCN2)N(CC)CC)[N+](=O)[O-],0.0
63345,CO-ADD:0321523,-1.68,N1(CCCC(=O)ON2C(C)(C)CC(CC2(C)C)OC(=O)c3ccco3)C(=O)c4c(cccc4)C1=O,0.0
63346,CO-ADD:0321196,-1.68,C(CNC(N)=O)(CC(CC1C2)CC23)(C3)C1,0.0
63347,CO-ADD:0324868,-1.68,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)ccc3OCCOc4cccc(OC)c4)\C2=N,0.0
63348,CO-ADD:0324884,-1.68,c(C(F)(F)F)(c(Cl)c1Cl)c(Cl)nc1Nc(cc2)ccc2OC(F)(F)F,0.0
63349,CO-ADD:0320260,-1.68,c1(C(OC)=O)sc2c(c(COC)cc(C)n2)c1NC(=O)c3ccco3,0.0
63350,CO-ADD:0323731,-1.68,n1c(SCCc2ccccc2)nnc(C)c1O,0.0
63351,CO-ADD:0320557,-1.68,[nH]1c(C)c(c(cccc2Cl)c12)CCN,0.0
63352,CO-ADD:0320326,-1.68,N1(c2ccc(cc2)OC(Cl)(F)F)\C(=N/C)\SC(C(=O)Nc(cc3)ccc3C(O)=O)CC1=O,0.0
63353,CO-ADD:0319107,-1.68,C(F)(F)(F)c(ccc(c1NC(=O)c(cccn2)c2)Oc3ccccc3c4ccccc4)c1,0.0
63354,CO-ADD:0319109,-1.68,[N+](=O)([O-])c(c1)cc(cc1C(=O)NC2CC2)C(=O)NC3CC3,0.0
63355,CO-ADD:0319182,-1.68,c1(NC(COc(cc2)ccc2I)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
63356,CO-ADD:0319598,-1.68,C1(C2c3ccc(cc3)OCCC)=C(CC(C)(C)CC1=O)Nc(ccc(cccc4)c45)c25,0.0
63357,CO-ADD:0319111,-1.68,S(=O)(=O)(N(C)C)c(cc1)ccc1C(=O)NCc2ccco2,0.0
63358,CO-ADD:0319553,-1.68,N1(N=C(\C(=C(/C)\Nc2n[nH]cc2C(OCC)=O)\C1=O)C)c3sc(c4n3)cccc4,0.0
63359,CO-ADD:0319226,-1.68,c1(NC(=O)c2ccccc2OCC)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
63360,CO-ADD:0319562,-1.68,c1(cnc(C)n1CC(NCCc2ccccc2)=O)[N+](=O)[O-],0.0
63361,CO-ADD:0318972,-1.68,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)Nc(cc3)c(C)cc3[N+](=O)[O-],0.0
63362,CO-ADD:0319452,-1.68,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)N=[N+]=[N-],0.0
63363,CO-ADD:0328094,-1.68,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c3c(OC)ccc(OC)c3,0.0
63364,CO-ADD:0328079,-1.68,S(=O)(=O)(Nc(cc1)ccc1CC(O)=O)c2c(C)cc(cc2C)C,0.0
63365,CO-ADD:0328111,-1.69,C1(C(NCCc(c2c([nH]3)ccc(OC)c2)c3C)=O)=Cc4c(OC1=O)cccc4,0.0
63366,CO-ADD:0327858,-1.69,N(C(=O)c(ccc(c1Br)OC)c1)C(=S)Nc(ccc(c2C(OCCC)=O)Cl)c2,0.0
63367,CO-ADD:0327556,-1.69,c12n(nc(SCC(C)C)n1)c(c(C)c(C)n2)C,0.0
63368,CO-ADD:0327572,-1.69,c1(Cl)nc(Cl)cc(C)c1C(NCC=C)=O,0.0
63369,CO-ADD:0328710,-1.69,c1(CC(NCCc(ccc(c2OC)OC)c2)=O)c(SC)c3c(cccc3)n1C,0.0
63370,CO-ADD:0328726,-1.69,C(=O)(Nc(cc1)ccc1CC#N)c2ccccc2OC,0.0
63371,CO-ADD:0328511,-1.69,N1(c2ccc(cc2)F)C(=O)C(CC1=O)NCCC3=CCCCC3,0.0
63372,CO-ADD:0332435,-1.69,S(=O)(=O)(c1ccc(cc1)OC)N2Cc3c(CC2C(=O)Nc4ccccc4OC)cccc3,0.0
63373,CO-ADD:0331876,-1.69,S(=O)(=O)(N(CC1)CCN1C(OCC)=O)c2c(OC)ccc(Cl)c2,0.0
63374,CO-ADD:0331932,-1.69,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2c3ccc(cc3)C,0.0
63375,CO-ADD:0332021,-1.69,c12c(c3c(cccc3)C1=O)nc4n(ncn4)c2c5ccc(c6c5)OCO6,0.0
63376,CO-ADD:0332365,-1.69,[n+]1([O-])c(ccc(cccc2)c12)\C=C\c(cc3)ccc3N(C)C,0.0
63377,CO-ADD:0330736,-1.69,c(nc(c1ccco1)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)c4ccc(cc4)OC(F)(Cl)F,0.0
63378,CO-ADD:0331559,-1.69,C1(C(=O)NCc(cc2)ccc2OC)=Cc3c(OC1=O)cccc3,0.0
63379,CO-ADD:0331207,-1.69,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n2)Cc(ccc(c4OCC)OCC)c4,0.0
63380,CO-ADD:0331073,-1.69,n1(Cc2ccc(cc2Cl)Cl)c3c(nc1COc4ccccc4OC)cccc3,0.0
63381,CO-ADD:0320713,-1.69,C(F)(F)(F)c(ccc(c1NC(=O)c2cccs2)Cl)c1,0.0
63382,CO-ADD:0320953,-1.69,c12c(cc(cc1NC(=O)c3ccccc3F)[N+](=O)[O-])oc(c4ccccc4)c2,0.0
63383,CO-ADD:0324181,-1.69,C1(=Cc(cccc2OC)c2OC1c3ccc(c(OC)c3)OCC)[N+](=O)[O-],0.0
63384,CO-ADD:0323053,-1.69,N1(CCc(c2c([nH]3)ccc(OC)c2)c3C)C(C)(O)C4(OC1=O)CCCCC4,0.0
63385,CO-ADD:0324213,-1.69,C1(C(OCCSC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OC(F)(F)F,0.0
63386,CO-ADD:0324077,-1.69,c1(N2)n(nc(SC)n1)C(C3=C2CC(C)(C)CC3=O)c(cc4)ccc4N(C)C,0.0
63387,CO-ADD:0324413,-1.69,N1(c2ccc(cc2)OC(F)(F)F)C(=O)\C(\SC1=N)=C\c(cc3)ccc3OCc4ccccc4F,0.0
63388,CO-ADD:0324141,-1.69,S(=O)(=O)(NCc(cccn1)c1)c2c(Br)cc(c(C)c2)C,0.0
63389,CO-ADD:0324766,-1.7,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3OC)OC)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
63390,CO-ADD:0321186,-1.7,C(/C(OC)=O)(=C(\F)/SCC(C)=O)\C(F)(F)F,0.0
63391,CO-ADD:0323640,-1.7,n1(CC(=O)N(CC(C)C)C2(CCCCC2)C(=O)Nc(cc3)ccc3C)nnnc1N,0.0
63392,CO-ADD:0319677,-1.7,C1(=C(CC(c2ccc(cc2)C)CC1=O)Nc(c3N4C(CC)=O)cccc3)C4c5cccc(OC)c5,0.0
63393,CO-ADD:0319726,-1.7,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/Nc(cc3)ccc3CC,0.0
63394,CO-ADD:0319569,-1.7,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(cn(n4)C(C)=O)c4c5ccc(cc5)F)\C1=O,0.0
63395,CO-ADD:0319601,-1.7,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccccc3)C2c4ccc(c(OC)c4)OC,0.0
63396,CO-ADD:0319530,-1.7,c1(c2c(cs1)CCCC2)C(=O)NC(c3ccccc3)c4ccccc4,0.0
63397,CO-ADD:0320454,-1.7,C1(=S)N(Cc2ccccc2)N=CN1N,0.0
63398,CO-ADD:0318773,-1.7,N(C(CSCC(=O)Nc(ccc(c12)cccc1)c2)=O)c3ccc(cc3C)C,0.0
63399,CO-ADD:0327618,-1.7,S(=O)(=O)(N(CC1)CCO1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(=O)Nc(cc5)ccc5OC(F)(F)F)=O)=N4)c2,0.0
63400,CO-ADD:0329331,-1.7,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)C(C)Oc4ccc(cc4Cl)Cl,0.0
63401,CO-ADD:0327675,-1.7,N1(c2ccc(cc2)F)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
63402,CO-ADD:0327804,-1.7,c1(O)c(CN2CCCCCC2)c(Oc(c(CN3CCCCCC3)c(O)c(C\C=C(/C)\C)c4O)c4C5=O)c5c(C\C=C(/C)\C)c1O,0.0
63403,CO-ADD:0327204,-1.7,c1(C(NCCc(c2c([nH]3)cccc2)c3C)c4ccc(cc4Cl)Cl)nnnn1c5ccccc5C,0.0
63404,CO-ADD:0327724,-1.7,c1(cccc2c1oc(n2)C)C(=O)Oc3ccccc3,0.0
63405,CO-ADD:0328578,-1.7,C1(C(=O)NC(N2Cc3ccco3)=O)=C2NC(=O)C1(NC(C)=O)C(F)(F)F,0.0
63406,CO-ADD:0328610,-1.7,C(=C\C(=O)c1ccc(cc1)C)(/Sc(cccc2)c2N3)\C3=O,0.0
63407,CO-ADD:0328029,-1.7,C12=C(CN(Cc3ccco3)CN1)C(N(C)C(=O)N2C)=O,0.0
63408,CO-ADD:0329910,-1.7,C(CNC(=O)c1ccc(cc1)F)(C2)(CC3CC2CC4(C3)CNC(=O)c5ccc(cc5)F)C4,0.0
63409,CO-ADD:0329926,-1.7,c12c(C(c3ccc(cc3)OC(C)C)SCC(=O)N1)c(nn2c4ccccc4)c5ccccc5,0.0
63410,CO-ADD:0329262,-1.7,C(=C/c(ccc1c2ccc(cc2F)F)o1)(/C(=O)NN3c4ccccc4)\C3=O,0.0
63411,CO-ADD:0332566,-1.7,[N+](=O)([O-])c1ccc(cc1NC(C)=O)N(CC2)CCN2C,0.0
63412,CO-ADD:0331050,-1.7,N1(CCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)C(=O)C(C(CC=C4)C1=O)C4,0.0
63413,CO-ADD:0331011,-1.7,c12n(cnc3c1cnn3Cc4ccccc4)nc(c(cc5)ccn5)n2,0.0
63414,CO-ADD:0331051,-1.7,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)C3CC=CCC3C(O)=O)c2C,0.0
63415,CO-ADD:0331631,-1.7,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5c(C)cc(c(C)c5)OC,0.0
63416,CO-ADD:0331216,-1.7,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCC2(C(N)=O)N3CCCCC3,0.0
63417,CO-ADD:0331248,-1.7,C12(OC(C(C(N3c4ccc(c(Cl)c4)F)=O)C1C3=O)c5ccc(cc5)F)C(=O)c(c6C2=O)cccc6,0.0
63418,CO-ADD:0326210,-1.7,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c3cccc(Br)c3)\NC(c4ccccc4)=O)c1C,0.0
63419,CO-ADD:0326724,-1.7,C(=O)(c1ccco1)CC(=O)C(OC)=O,0.0
63420,CO-ADD:0326077,-1.7,n12c(ccc(N3CCCCC3)n1)nnc2c4ccc(cc4)Br,0.0
63421,CO-ADD:0326478,-1.7,c1(OC(=O)C=C2C)c2c(nn1C)C,0.0
63422,CO-ADD:0320544,-1.7,c1(C(O)=O)cn(nc1C23CC4CC(CC(C4)C2)C3)c5ccccc5,0.0
63423,CO-ADD:0319904,-1.7,n1(cnnn1)c2ccc(c(cccn3)c23)Br,0.0
63424,CO-ADD:0320409,-1.7,N1(CCCCCC(=O)NCC(c2ccccc2)CC(O)=O)C(=O)c3c(cccc3)C1=O,0.0
63425,CO-ADD:0321410,-1.7,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5cccc(nsn6)c56,0.0
63426,CO-ADD:0320946,-1.71,n1(cnnn1)c(cc(OC)cc2NC(=O)c3ccc(cc3)F)c2,0.0
63427,CO-ADD:0320971,-1.71,C(=NNC1=O)(N=C(NC(C)(C)C)N=C2NC(C)(C)C)N12,0.0
63428,CO-ADD:0321356,-1.71,n1c(SCC(O)=O)cc(c2c1ccc(c2)C)C,0.0
63429,CO-ADD:0324455,-1.71,C1(C(NCCOC(CC2CC3CC4C2)(C4)C3)=O)=Cc(cccc5OC)c5OC1=O,0.0
63430,CO-ADD:0324479,-1.71,C1(=O)Nc(ccc(c2)C)c2Oc(cc(cc3Oc4ccccc4)[N+](=O)[O-])c13,0.0
63431,CO-ADD:0323867,-1.71,N1(c2ccc(c(C)c2)C)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
63432,CO-ADD:0320800,-1.71,C(OC1)(OCC1(CO)[N+](=O)[O-])(c2c(N3CC(=O)N(CC)CC)cccc2)C3=O,0.0
63433,CO-ADD:0319328,-1.71,c1(ccc(cc1OC)SC)C(=O)Nc2ccccc2F,0.0
63434,CO-ADD:0319617,-1.71,c12c(nnc(SCC(=O)Nc(cc3)ccc3C(C)CC)n1)c4c(cccc4)n2CCc5ccccc5,0.0
63435,CO-ADD:0323316,-1.71,C(Cc1ccccc1)(=C(C)N=C(N2)Sc3c(O)nc(c4c3c5ccccc5Cl)ccc(Cl)c4)C2=O,0.0
63436,CO-ADD:0323132,-1.71,S(=O)(=O)(N\C(=N\OCCCC)\Nc1nc(C)cc(C)n1)c2[nH]ncn2,0.0
63437,CO-ADD:0320062,-1.71,n1c(ccc(cccc2NC(c3ccccc3)=O)c12)c(c4)cc5c(cccc5)n4,0.0
63438,CO-ADD:0320094,-1.71,c1(C(OCC)=O)sc(c2c1N)cc(cc2OCC(F)(F)F)[N+](=O)[O-],0.0
63439,CO-ADD:0319783,-1.71,c1(NC(COc(cc2)ccc2F)=O)sc(c(C)c1C(OCC)=O)C,0.0
63440,CO-ADD:0321555,-1.71,N1(CCCC1(c2ccccc2)C#N)C(=O)c3ccc(Br)o3,0.0
63441,CO-ADD:0319162,-1.71,c12c(CCNC1c3cccc(I)c3)cc(c(OC)c2)OCC,0.0
63442,CO-ADD:0319202,-1.71,c1(NC(COc2cccc(Br)c2)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
63443,CO-ADD:0327748,-1.71,N1(C(c2ccccc2)c3ccccc3)c4c(\C(=N\NC(CCCO)=O)\C1=O)cccc4,0.0
63444,CO-ADD:0327268,-1.71,N(\C(=C/c1cc2c(nc1N3CCCCC3)ccc(C)c2)\C(O4)=O)=C4c5ccccc5,0.0
63445,CO-ADD:0327284,-1.71,C12(c3c(N(CC=C)C1=O)cccc3)NC(C(C(N4Cc5ccccc5)=O)C2C4=O)C,0.0
63446,CO-ADD:0327725,-1.71,c1(cccc2c1oc(n2)C)C(=O)Oc(cc3)ccc3Cl,0.0
63447,CO-ADD:0327749,-1.71,C1(=O)N(c2ccccc2)N=CC(Br)=C1NCCCN(CC3)CCO3,0.0
63448,CO-ADD:0326354,-1.71,c1(c2ccco2)nnc(nc1c3ccco3)SCC(=O)Nc4cc(OC)cc(OC)c4,0.0
63449,CO-ADD:0329445,-1.71,C(CN(CC)CC)(=O)NC1(CCCCC1)Cc(cc2)ccc2O,0.0
63450,CO-ADD:0329308,-1.71,[nH]1c(ccc(c2)OC)c2c(CCNC(=O)c(cccn3)c3)c1,0.0
63451,CO-ADD:0329478,-1.71,S(=O)(=O)(NCc(ccc1C(OCC)=O)o1)c2ccc(c(C)c2)OC,0.0
63452,CO-ADD:0326541,-1.71,n12c(nc(cc1C(F)(F)Cl)c3cccs3)cc(C(=O)Nc(cc4)ccc4N(CC)CC)n2,0.0
63453,CO-ADD:0331286,-1.71,c1(c2)c(cc3c2c(c4ccccc4)cc(n3)c5ccccc5)c(c(C)[nH]1)C,0.0
63454,CO-ADD:0331970,-1.71,c1(C#N)c(SCC(=O)N(c2ccccc2)c3ccccc3)nc(cc1C(F)(F)F)c4cccs4,0.0
63455,CO-ADD:0331675,-1.71,C(=O)(c(ccc(c1Br)OC)c1)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
63456,CO-ADD:0326243,-1.71,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)NCC(CC(CC3C4)CC45)(C5)C3,0.0
63457,CO-ADD:0326553,-1.71,n(n(Cc(cc1C)cc(c1O)C)nn2)c2c3ccc(cc3)Br,0.0
63458,CO-ADD:0327413,-1.71,c1(\C(\CCC2)=N\OCc3cccc(Cl)c3)c2non1,0.0
63459,CO-ADD:0326866,-1.71,c(c1N)(c2N)c(sc1C#N)sc2C#N,0.0
63460,CO-ADD:0326618,-1.71,[N+](=O)([O-])c(cc(Oc(cc1)ccc1F)cc2NC(=O)c(cc3)ccc3C(=O)c4cc(OC)cc(OC)c4)c2,0.0
63461,CO-ADD:0326048,-1.71,N(=C\c1ccccc1)/c2ccccc2O,0.0
63462,CO-ADD:0320210,-1.72,c12c(CCNC1c3ccc(c(OCC)c3)OC)cc(c(OCC)c2)OCC,0.0
63463,CO-ADD:0320558,-1.72,[nH]1c2c(c(CCN)c1C)cccc2CC,0.0
63464,CO-ADD:0319847,-1.72,[nH]1c(cccc2)c2c(CCNC(=O)c3c(cccc3Cl)Cl)c1C,0.0
63465,CO-ADD:0321220,-1.72,C1(C(F)(F)F)(C(F)(F)F)NC(=O)N2C(SC=C2C3CC3)=N1,0.0
63466,CO-ADD:0321293,-1.72,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)CSc4nc(CSc(cc5)ccc5Cl)cc(O)n4)cc(cc3)OCC,0.0
63467,CO-ADD:0319316,-1.72,c1([N+](=O)[O-])nn(c(n(ncc2[N+](=O)[O-])c2)n1)C,0.0
63468,CO-ADD:0323709,-1.72,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4cccc(Cl)c4)c5ccc(cc5)OC,0.0
63469,CO-ADD:0324159,-1.72,N1(C(=O)\C(\SC1=N)=C/c(ccc2c(cc3)ccc3C(OCC)=O)o2)c4nonc4NC(C)=O,0.0
63470,CO-ADD:0324215,-1.72,C1(C(OCCOCC)=O)=C(C)NC(NC1c2ccc(Br)s2)=O,0.0
63471,CO-ADD:0324263,-1.72,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCC(O)c3ccccc3,0.0
63472,CO-ADD:0323024,-1.72,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)C1=O,0.0
63473,CO-ADD:0321436,-1.72,c12c(ccc(C(N)=O)c1SCCO)C(=O)c(c3C2=O)cccc3,0.0
63474,CO-ADD:0320941,-1.72,c(c1N)(sc2c1cc(c3n2)CCCCCC3)C(=O)N(c4ccccc4)c5ccccc5,0.0
63475,CO-ADD:0320878,-1.72,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCC)c4ccc(cc4)Br,0.0
63476,CO-ADD:0324186,-1.72,N1(c2ccc(cc2Cl)Cl)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
63477,CO-ADD:0320959,-1.72,c1(N(CC2)CCN2C34CC(CC5C3)CC(C5)C4)nc(NC)nc(Nc(cc6)ccc6OC(F)(F)Cl)n1,0.0
63478,CO-ADD:0320887,-1.72,N1=C(c2ccc(cc2)C)NC(c(cc(cc(OC)c(OC)c3)c3n4)c14)=O,0.0
63479,CO-ADD:0318705,-1.72,C(OC)(F)(C(F)(F)F)C(=O)Nc1cccc(c1)Nc2ccccc2,0.0
63480,CO-ADD:0318722,-1.72,c12c(CCNC1c3ccc(cc3)OCC)cc(c(OCC)c2)OCC,0.0
63481,CO-ADD:0326140,-1.72,C12(O)C(=Cc(ccc(OC)c3)c3O1)C(NC(=O)N2)=O,0.0
63482,CO-ADD:0326068,-1.72,c1(N\N=C\c2c[nH]nc2c3ccc(cc3)F)nncn1N.Cl.Cl,0.0
63483,CO-ADD:0328821,-1.72,C(F)(F)(F)c(ccc(c1Cl)SCC(=O)NC(C)(C)CO)c1,0.0
63484,CO-ADD:0329800,-1.72,N1(CC=C)C(CNc2cccc(Cl)c2C)=NNC1=S,0.0
63485,CO-ADD:0329872,-1.72,c1(cc(ccc1N(C)C)C(=O)Nc(c2)c(ccc2C(F)(F)F)Oc(ccc(c3C)C)c3)[N+](=O)[O-],0.0
63486,CO-ADD:0329441,-1.72,C1(=Cc2c(OC1=O)cccc2)C(=O)N(CC3)CCN3c4ccc(c(Cl)c4)C,0.0
63487,CO-ADD:0329497,-1.72,C1(C(=O)Oc(cc2)ccc2Oc3c(Cl)cc(cn3)Cl)=Cc4c(OC1=O)cccc4,0.0
63488,CO-ADD:0327728,-1.72,c1(cccc2c1oc(n2)C)C(=O)Oc3ccc(cc3C(C)=O)C,0.0
63489,CO-ADD:0328666,-1.72,c1(C(OC)=O)c(cc(oc(c2C(OC)=O)N)c2c3c4ccc(cc4)C)c3oc1N,0.0
63490,CO-ADD:0328307,-1.72,N(c(cc1)ccc1C(OCC)=O)(C(c2cccc(OC)c2)C=C3Nc(cc4)ccc4C(OCC)=O)C3=O,0.0
63491,CO-ADD:0328556,-1.72,C1(C(F)(F)F)(C(F)(F)F)NC(C(Cl)C12)C(C2)Br,0.0
63492,CO-ADD:0329693,-1.72,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)NCCCN(CC3)CCN3c4cccc(Cl)c4,0.0
63493,CO-ADD:0332259,-1.72,N(\C(=C/c(ccc(c1OCC)OCC)c1)\C(O2)=O)=C2c3ccc(cc3)OC,0.0
63494,CO-ADD:0332275,-1.72,n12c(NC(c(ccc(c34)OCO3)c4)CC1C(F)(F)F)cc(C(=O)NCC(C5)(CC6CC5CC7C6)C7)n2,0.0
63495,CO-ADD:0332187,-1.72,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(c(OC)c3)O)=C(O)C(N2CCCn(ccn4)c4)=O,0.0
63496,CO-ADD:0332555,-1.72,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc(cccn4)c4,0.0
63497,CO-ADD:0332579,-1.73,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCN4C,0.0
63498,CO-ADD:0331995,-1.73,C(=O)(N1CCC(CC1)C(OCC)=O)c2ccccc2NC(=O)c3ccc(cc3)F,0.0
63499,CO-ADD:0331049,-1.73,N1(CCc(c2c([nH]3)ccc(OC)c2)c3C)C(=O)C(C(C4)C1=O)CC=C4,0.0
63500,CO-ADD:0332129,-1.73,N(NC(=O)c1ccc(cc1)Cl)(C(CC(=O)Nc(cc2)ccc2F)C(N3CC)=O)C3=S,0.0
63501,CO-ADD:0330785,-1.73,C(=C/c(cc1)ccc1OCC(N)=O)(/C2(C)C)\C(=O)C(O2)(C)C,0.0
63502,CO-ADD:0331761,-1.73,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(CC)s4,0.0
63503,CO-ADD:0328689,-1.73,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c(ccc(c3C(=O)Nc4ccccc4)Cl)c3,0.0
63504,CO-ADD:0328466,-1.73,C(C(OC)=O)(CC(=C)c1ccccc1)(NP(OCC)(OCC)=O)C(F)(F)F,0.0
63505,CO-ADD:0328883,-1.73,C1(c2ccccc2)(CC1)NC(=O)c(cc3)ccc3C(=O)N(C4CCCCC4)C5CCCCC5,0.0
63506,CO-ADD:0327328,-1.73,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c(cc5)ccc5[N+](=O)[O-])C(OC)=O,0.0
63507,CO-ADD:0320262,-1.73,c(C(=O)N1)(sc2c3c(COC)cc(C)n2)c3NC1c4ccccc4[N+](=O)[O-],0.0
63508,CO-ADD:0319323,-1.73,n1(c2ccccc2)c(SCC(=O)Nc3ccccc3C(OC)=O)nnc1c4ccc(cc4)OC,0.0
63509,CO-ADD:0323673,-1.73,c1(C#N)c(COC)cc(nc1SCC(=O)NCc2ccccc2)C,0.0
63510,CO-ADD:0323104,-1.73,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCN3C45CC(CC6C4)CC(C6)C5)C1=O,0.0
63511,CO-ADD:0321039,-1.73,C1(C2=O)C(NN=C1C(=O)c3c(Cl)ccc(Cl)n3)C(N2c4ccccc4)=O,0.0
63512,CO-ADD:0321008,-1.73,N1(C(C)=O)\C(=C\c(cc(cccc2)c2n3)c3O)\C(NC1=S)=O,0.0
63513,CO-ADD:0321080,-1.73,c1(C2c(cc3)ccc3C(OC)=O)c([nH]nc1C45CC6CC(CC(C6)C4)C5)OC(N)=C2C#N,0.0
63514,CO-ADD:0323979,-1.73,S(=O)(=O)(c1ccc(c(OC)c1)Cl)NC(CC2(C)C)CC(N2)(C)C,0.0
63515,CO-ADD:0324383,-1.73,N1C(C)(C)CC(CC1(C)C)NCC(=O)NC(CC2(C)C)CC(N2)(C)C,0.0
63516,CO-ADD:0324352,-1.73,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c(c(cccc3)c34)nnc4N5CCCCC5)c2,0.0
63517,CO-ADD:0320914,-1.73,C(=C\C(=O)c1ccc(cc1)C)(/C2=O)\Nc(c(ccc3S(CC)(=O)=O)O2)c3,0.0
63518,CO-ADD:0320854,-1.73,c1(nnnn1CC(=O)Nc(cccc2C(F)(F)F)c2)c3nonc3N,0.0
63519,CO-ADD:0324217,-1.73,C1(C(OCCOC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)OC)=O,0.0
63520,CO-ADD:0324163,-1.73,N1(C(=O)\C(\SC1=N)=C/c(cc2OC)c(Cl)cc2OC(C)=O)c3nonc3NC(C)=O,0.0
63521,CO-ADD:0324195,-1.73,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3ccc(C)s3,0.0
63522,CO-ADD:0323803,-1.73,C1(c2ccccc2)(CC1)NC(=O)Nc(c3)cc4c(cccc4)n3,0.0
63523,CO-ADD:0319348,-1.73,c1(C(O)c2ccccc2)nnc(S)n1c3ccccc3,0.0
63524,CO-ADD:0326517,-1.73,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccccc4,0.0
63525,CO-ADD:0329233,-1.73,n1(c2ccc(c(C)c2)C)nnnc1SCC(NCCc(ccc(c3OCC)OCC)c3)=O,0.0
63526,CO-ADD:0326359,-1.73,N12CCC(CC1Cc(cc3)ccc3OCc4ccccc4)CC2.Cl,0.0
63527,CO-ADD:0329507,-1.73,N1(c2ccc(cc2)CCCC)CC(CC1=O)C(=O)Nc3ccccc3F,0.0
63528,CO-ADD:0328856,-1.73,C(F)(F)(F)Oc(cc1)ccc1NC(=O)CCN(CC2)CCN2CCO,0.0
63529,CO-ADD:0329586,-1.73,S(=O)(=O)(c1ccc(cc1)OCC)Nc(cc2)ccc2OCC(O)=O,0.0
63530,CO-ADD:0329406,-1.73,n1(c2ccccc2Cl)c(S)nnc1c(cc3)ccn3,0.0
63531,CO-ADD:0329205,-1.73,S(=O)(=O)(c1ccc2c(ccc(OC)c2)c1)N(CC3)CCN3c4ccc(c(Cl)c4)C,0.0
63532,CO-ADD:0328198,-1.73,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)c(C)cc(NC(=O)c(cccc3[N+](=O)[O-])c3)c2C(C)C,0.0
63533,CO-ADD:0328231,-1.73,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)c(C)cc(NS(=O)(=O)c3ccc(cc3)OC)c2C(C)C,0.0
63534,CO-ADD:0326352,-1.73,C(/C(=O)NCc(cc1OC)cc(c1OC)OC)(\NC(c2ccccc2)=O)=C\c(ccc3c4ccc(cc4)C)o3,0.0
63535,CO-ADD:0332156,-1.74,C12(OC(C(C(N3c4cccc(cccc5)c45)=O)C1C3=O)c6ccccc6Cl)C(=O)c7c(cccc7)C2=O,0.0
63536,CO-ADD:0332220,-1.74,C1(C(=O)OCC(C)C)=C(C)NC(NC1c2ccc(c(Br)c2)F)=O,0.0
63537,CO-ADD:0331311,-1.74,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)OC)C(=O)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
63538,CO-ADD:0330815,-1.74,c(C(=O)Nc1ccccc1)(sc(c23)nc(c(C)c2C)C)c3N,0.0
63539,CO-ADD:0330943,-1.74,c1(C(=O)Nc(cc2)ccc2C(C)=O)sc3c(c(C)cc(C)n3)c1N,0.0
63540,CO-ADD:0331483,-1.74,C1(C(F)(F)F)(NC(=O)c2ccco2)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)OC)=O,0.0
63541,CO-ADD:0331653,-1.74,c12c(cnn1c3ccccc3)C(=O)N(C(SC)=N2)N,0.0
63542,CO-ADD:0331617,-1.74,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)NCC(C2)(C3)CC(C4)CC2CC34,0.0
63543,CO-ADD:0328972,-1.74,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(c2ccccc2Cl)CC(OCC)=O,0.0
63544,CO-ADD:0329509,-1.74,C1(C(=O)NC(N2Cc3ccccc3)=O)=C2NC(=NC1(C(F)(F)F)C(F)(F)F)C,0.0
63545,CO-ADD:0329517,-1.74,N1(C(=O)c2ccc(cc2)F)N3C(=NC1=S)C=CC=C3C,0.0
63546,CO-ADD:0327663,-1.74,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1C5CCCCC5)CC,0.0
63547,CO-ADD:0327888,-1.74,c1(N(CC2)CCS2)scc(c3ccc(c(OC)c3)OC)n1,0.0
63548,CO-ADD:0320263,-1.74,c12c(nc(C)c(Cl)c1C)sc(c(cc3)ccc3[N+](=O)[O-])c2N,0.0
63549,CO-ADD:0320315,-1.74,C1(C(=O)Nc2ccccc2)=C(C)N=C(C(C(N)=O)C13CCCCC3)SC,0.0
63550,CO-ADD:0323424,-1.74,N1(c2ccccc2C(F)(F)F)C(=O)\C(\SC1=N)=C\c(cc(OCO3)c3c4)c4Br,0.0
63551,CO-ADD:0323120,-1.74,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)Cl)NC3=C1C(=O)NC(N3CCc(ccc(c4OCC)OCC)c4)=O,0.0
63552,CO-ADD:0323368,-1.74,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5Br)c2,0.0
63553,CO-ADD:0323504,-1.74,c1(ccccc1SCC(=O)Nc2ccccc2)C(O)=O,0.0
63554,CO-ADD:0319614,-1.74,c12c(ccc(C(=O)NCc3ccccc3)c1N=[N+]=[N-])C(=O)c(c4C2=O)cccc4,0.0
63555,CO-ADD:0319422,-1.74,C(=S)(SCc1csc(C)n1)N2CCCCC2,0.0
63556,CO-ADD:0324671,-1.74,c1(nn(cn1)CC(=O)Nc(c2)cc(cc2Oc3cccc(C)c3)Oc(cc4)ccc4OCC)[N+](=O)[O-],0.0
63557,CO-ADD:0323858,-1.74,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5c(OC)ccc(Cl)c5,0.0
63558,CO-ADD:0324762,-1.74,C(C(=O)c1ccc(cc1)Cl)(C2c3cccc(F)c3)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
63559,CO-ADD:0324490,-1.74,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc(cccc4C(F)(F)F)c4)n2,0.0
63560,CO-ADD:0324651,-1.74,C(CN1CCCC1)#Cc(cc2)ccc2C#CCN3CCCC3,0.0
63561,CO-ADD:0324121,-1.74,C(=O)(Nc1cccc(Cl)c1C)C(C2CCCO2)CC(O)=O,0.0
63562,CO-ADD:0324848,-1.75,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3OC)cc(c3OCCOc4ccccc4C)Cl)\C2=N,0.0
63563,CO-ADD:0323012,-1.75,N1(c2ccc(cc2)F)C(=O)C(N(CCc(ccc(c3OCC)OCC)c3)C1=S)CC(=O)Nc(cc4)ccc4C(OC)=O,0.0
63564,CO-ADD:0323076,-1.75,c1(scc(n1)\C=C(/Cl)\Cl)NC(C)=O,0.0
63565,CO-ADD:0323820,-1.75,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)Nc(cc7)ccc7OC(F)(F)F,0.0
63566,CO-ADD:0323836,-1.75,c12c(ncnc1SCC(=O)c3ccc(cc3)Cl)[nH]cn2,0.0
63567,CO-ADD:0324197,-1.75,C(C(OC)=O)(C1c(cc2)ccc2C(F)(F)F)=CN(C=C1C(OC)=O)C34CC5CC(CC(C5)C3)C4,0.0
63568,CO-ADD:0324199,-1.75,C1(CCC(NC1c2cccc(c2)OCc3ccccc3)=O)[N+](=O)[O-],0.0
63569,CO-ADD:0319599,-1.75,N1(CCNC(=O)c2ccnn2C)C(C)(O)C(OC1=O)(C)C,0.0
63570,CO-ADD:0329753,-1.75,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)F)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
63571,CO-ADD:0329226,-1.75,N1(C(=O)\C(\SC1=N)=C/c(ccc2c3ccc(cc3)OC(F)(F)F)o2)c4nonc4NC(C)=O,0.0
63572,CO-ADD:0326664,-1.75,n1(c2c(C)cccc2C)nnnc1C3(CCCCC3)NCCc(c4c([nH]5)cccc4)c5C,0.0
63573,CO-ADD:0326809,-1.75,C(C(=O)c1ccc(cc1)F)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2Cc(cccn4)c4)=O,0.0
63574,CO-ADD:0326857,-1.75,[N+](=O)([O-])c1c(NCCCNC(C2(CCCCC2)OC3=O)=C3)ccc(c1)C(F)(F)F,0.0
63575,CO-ADD:0329779,-1.75,c12c(cc(OCO3)c3c1)NC(CC2c4cc(F)ccc4F)=O,0.0
63576,CO-ADD:0329900,-1.75,C1(CC(C)=CCN1S(C)(=O)=O)(C(OC)=O)C(F)(F)F,0.0
63577,CO-ADD:0329732,-1.75,n(c1)(c(CN(C)C)c(c2CN(C)C)c(cc3)ccc3[N+](=O)[O-])c2ccc1C(OCC)=O.Cl.Cl,0.0
63578,CO-ADD:0329748,-1.75,C1(C(F)(F)F)(NC(=O)c(cccn2)c2)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
63579,CO-ADD:0329300,-1.75,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c3ccccc3)\C2=N,0.0
63580,CO-ADD:0327885,-1.75,c1(ccc(c(cccn2)c12)Sc3nnc(N)s3)[N+](=O)[O-],0.0
63581,CO-ADD:0325920,-1.75,C(O)(c(cc(C)c(c1C)O)c1)(C(F)(F)F)C(F)(F)F,0.0
63582,CO-ADD:0330074,-1.75,c1(C(OCC)=O)nn(c(cc(cc2S(=O)(=O)CC(C)C)[N+](=O)[O-])c12)c3ccccc3,0.0
63583,CO-ADD:0326672,-1.75,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(c4ccco4)cc(n1)C(F)(F)F,0.0
63584,CO-ADD:0328608,-1.75,n1(nnc(C(O)=O)c1CN2CCCCCC2)c3nonc3N,0.0
63585,CO-ADD:0330076,-1.75,n1(C(c2ccccc2)=O)c(c3ccccc3)c(c(N)n1)C(OCC)=O,0.0
63586,CO-ADD:0328510,-1.75,N1(c2ccc(cc2)F)C(=O)CC(N(C)Cc(cc3)ccn3)C1=O,0.0
63587,CO-ADD:0330975,-1.75,c1(C(=O)Nc(cc2)ccc2N(C)C)scc(OCCO3)c13,0.0
63588,CO-ADD:0331416,-1.75,n1c(c2ccccc2)nnn1CC(=O)Nc(cc3)ccc3OC(F)(Cl)F,0.0
63589,CO-ADD:0331440,-1.75,C1(C(F)(F)F)(NC(=O)c2ccco2)C(=O)N(C(=O)N1)c3ccc(cc3)OC,0.0
63590,CO-ADD:0331448,-1.75,c1(c2cccc(Br)c2)nc(c3n1C(C)c4ccccc4)cccc3,0.0
63591,CO-ADD:0331368,-1.76,C(=O)(C(c1ccccc1)c2ccccc2)NC(c3ccc(cc3)OC)CC(O)=O,0.0
63592,CO-ADD:0331131,-1.76,C(CC1)(CCN1C(c2ccccc2)=O)(C(N)=O)N3CCCCC3,0.0
63593,CO-ADD:0331163,-1.76,c1(C(C)c2ccc(cc2)CC(C)C)[nH]c(c3n1)cccc3,0.0
63594,CO-ADD:0331763,-1.76,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(O)c4,0.0
63595,CO-ADD:0331266,-1.76,n1c(N(CC)CC)nc(nc1N(CC)CC)C#N,0.0
63596,CO-ADD:0327687,-1.76,n1(CC=C)c(SCC(=O)NCc(ccc(c23)OCO2)c3)nnc1c4cccs4,0.0
63597,CO-ADD:0329216,-1.76,C(C(OC)=O)(C(F)(F)F)(C(C(C)=O)C(C)=O)NC(=O)C(F)(F)F,0.0
63598,CO-ADD:0328553,-1.76,C1(=S)N(Nc2c(Cl)cc(cn2)Cl)C(C(=O)N1c3ccc(cc3)OC)CC(=O)Nc4cccc(OC)c4,0.0
63599,CO-ADD:0328169,-1.76,c12c(C(N(C)C(=O)N1C)=O)n(c(NC3CCCCC3)n2)CC(=O)C45CC6CC(CC(C6)C4)C5,0.0
63600,CO-ADD:0326821,-1.76,N1(CN2CCC(CC2)Cc3ccccc3)c(cccc4)c4\C(=N\c(cc5)ccc5OC(F)(F)F)\C1=O,0.0
63601,CO-ADD:0326109,-1.76,N1(c2ccccc2F)C(=O)\C(\SC1=N)=C\c3ccccc3F,0.0
63602,CO-ADD:0320284,-1.76,c1(C(OC)=O)sc(c2c1n3cccc3)cc(cc2SCC(C)C)[N+](=O)[O-],0.0
63603,CO-ADD:0320709,-1.76,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc(cc4)ccc4NC(=O)c5cc(F)c(cc5Cl)F,0.0
63604,CO-ADD:0320821,-1.76,c(c1)(cc(cn1)Br)C(=O)NCc(ccc(c23)OCO2)c3,0.0
63605,CO-ADD:0320933,-1.76,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)Nc3cccc(O)c3,0.0
63606,CO-ADD:0321390,-1.76,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCC(CC(CC4C5)CC56)(C6)C4)c7ccccc7,0.0
63607,CO-ADD:0320862,-1.76,C(=N\c(cc1)ccc1OC(F)(F)Cl)(/SC(C(=O)Nc(cc2)ccc2I)CC3=O)\N3CC,0.0
63608,CO-ADD:0320863,-1.76,C(F)(F)(Cl)Oc(cc1)ccc1NC(NC)=S,0.0
63609,CO-ADD:0319240,-1.76,N1(C(C)CCCC1C)C(=O)c2ccc(cc2)NC(=O)C(C)Oc3ccc(cc3Cl)Cl,0.0
63610,CO-ADD:0320936,-1.76,C(=N/c(cc1)ccc1C(OC)=O)(/SC(C(NCCc(ccc(c2OCC)OCC)c2)=O)CC3=O)\N3CC,0.0
63611,CO-ADD:0319329,-1.76,c1(Sc(cc2)ncc2[N+](=O)[O-])sc(c3n1)cccc3,0.0
63612,CO-ADD:0323930,-1.76,S(=O)(=O)(N(C)C)c(c(C)ccc1C(c(cccc2)c2C(N3CC(=O)Nc(cc4)ccc4OC(F)(F)F)=O)=N3)c1,0.0
63613,CO-ADD:0319656,-1.76,c1(C(N)=O)nonc1NCn2c(C)cc(C)n2,0.0
63614,CO-ADD:0323778,-1.76,c12c(ccc(c1OC)N\C=C(/C(OCC)=O)\C(OCC)=O)c(c(C)[nH]2)C,0.0
63615,CO-ADD:0321128,-1.76,S(=O)(=O)(c1ccc(cc1)NC(=O)c2cccs2)N(CC3)CCO3,0.0
63616,CO-ADD:0320024,-1.76,C(=C\c(cc1)ccc1OCc2ccccc2F)(/C3=O)\C(=O)c(c34)cccc4,0.0
63617,CO-ADD:0329021,-1.76,c(C(OCC)=O)(c1C)[nH]c(c1CNc2cccc(F)c2)C,0.0
63618,CO-ADD:0328854,-1.76,C(Nc(cc1)ccc1OC(F)(F)F)(C(OC)=O)(NC(Cc2ccccc2)=O)C(F)(F)F,0.0
63619,CO-ADD:0328862,-1.76,c12c(CCNC1c3ccc(cc3)C#N)cc(c(OCC)c2)OCC.Cl,0.0
63620,CO-ADD:0328918,-1.76,c1(cnc(C)n1CC(=O)Nc(ccc(c2F)F)c2)[N+](=O)[O-],0.0
63621,CO-ADD:0325932,-1.76,C(/C(OC)=O)(\C(F)(F)F)=C(\F)/SC1CC(CCC1=O)C(C)(C)C,0.0
63622,CO-ADD:0326365,-1.76,c1(noc(c2ccc(cc2)I)n1)c3nonc3N,0.0
63623,CO-ADD:0329701,-1.76,N12C(SC(C(F)(F)F)=N1)=NC(=O)\C(=C\c(ccc(c3OC)OCc4ccccc4F)c3)\C2=N,0.0
63624,CO-ADD:0329781,-1.76,C1(CCC(NC1c2ccc(c(OC)c2)OC)=O)[N+](=O)[O-],0.0
63625,CO-ADD:0329918,-1.76,C12(C(OCC)=O)C(C1(CC)C(c3ccccc3)=O)c(c4OC2=O)cc(cc4Br)Br,0.0
63626,CO-ADD:0328165,-1.77,C1(c2cccc(NC(C)=O)c2O)=CC(c3c(cccc3)O1)=O,0.0
63627,CO-ADD:0328645,-1.77,N1(c2cccc(c2)C(OC)=O)C(=O)c3c(c(cccc4)c4C1=O)cccc3,0.0
63628,CO-ADD:0329164,-1.77,C(C(O)=O)(=CN1CC)C(=O)c(c12)cnc(N(CC3)CCN3C(=S)Nc(cc4)ccc4OC)n2,0.0
63629,CO-ADD:0328537,-1.77,c1(c2ccccc2O)nnc(c(cc(I)cc3[N+](=O)[O-])c3)o1,0.0
63630,CO-ADD:0330056,-1.77,c1(C(=O)NC(c2ccc(cc2)OC)CC(O)=O)c(Cl)c3c(cccc3)s1,0.0
63631,CO-ADD:0328954,-1.77,N1C(=O)\C(=C/c(cc2)ccc2F)\N\C(=C\C(c3ccccc3)=O)\C1=O,0.0
63632,CO-ADD:0326228,-1.77,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(ccc(c34)OCO3)c4)\NC(c5ccccc5)=O)c1C,0.0
63633,CO-ADD:0331472,-1.77,c1([N+](=O)[O-])nn(c(Br)n1)C2(CC(CC3C2)CC4(C3)NC(C)=O)C4,0.0
63634,CO-ADD:0332263,-1.77,[N+](=O)([O-])c1cccc(c1C)C(=O)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
63635,CO-ADD:0331475,-1.77,[N+](=O)([O-])c(cccc1C(=O)NC(c2ccc(cc2)OC)CC(O)=O)c1,0.0
63636,CO-ADD:0331571,-1.77,N1(CCNC1=O)C(=O)COc2ccccc2,0.0
63637,CO-ADD:0331956,-1.77,C1(C(NCCc(c2c([nH]3)ccc(C)c2)c3C)=O)=Cc(cc(Br)cc4OC)c4OC1=O,0.0
63638,CO-ADD:0332014,-1.77,C(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2c3ccc(c(C)c3)C,0.0
63639,CO-ADD:0326669,-1.77,n(c(ccc(c12)cccc1)c23)c(c4ccc(cc4)OCc5ccccc5F)c(c36)CCCC6,0.0
63640,CO-ADD:0326830,-1.77,c1(c2ccccc2O)nnc(c3ccc(cc3)OC)o1,0.0
63641,CO-ADD:0326095,-1.77,N1(CCCCCC(=O)NC(c(cccc2[N+](=O)[O-])c2)CC(OCC)=O)C(=O)c(c3C1=O)cccc3,0.0
63642,CO-ADD:0328523,-1.77,C1(O)(C(F)(F)F)C(=O)NC(C(=O)N1)C(C)C,0.0
63643,CO-ADD:0326837,-1.77,C(/c(cccc1)c1C(C23C)CCCC2)(=C/C(N)=O)\N3,0.0
63644,CO-ADD:0323781,-1.77,c1(S[C@@H](CC2O)[C@@H](C3)O[C@H]2O3)nc(c4ccc(cc4)OC)cc(n1)C(F)(F)F,0.0
63645,CO-ADD:0324325,-1.77,c12c(c3c(cccc3)[nH]1)nnc(SCc(cc(OCO4)c4c5)c5Cl)n2,0.0
63646,CO-ADD:0324278,-1.77,n1(c2ccccc2)nnnc1SCC(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
63647,CO-ADD:0324294,-1.77,c1(N2CCCCC2)nc(Cn3nnc(c(ccc(c45)OCO4)c5)n3)nc(N)n1,0.0
63648,CO-ADD:0324655,-1.77,C(F)(F)(C(F)(F)C(=O)CC(c1ccccc1)=O)C(F)(F)C(F)(F)C(OC)=O,0.0
63649,CO-ADD:0323319,-1.77,n1(CC)c(SCC(=O)Nc(cc2)ccc2c3sc4c(ccc(C)c4)n3)nnc1c5ccccc5,0.0
63650,CO-ADD:0324598,-1.77,c1(NC(Cc(ccc(c2OCC)OCC)c2)=O)sc(c(C)c1C(OCC)=O)C,0.0
63651,CO-ADD:0324902,-1.77,S(NCCOC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4c(Cl)cc(c(Cl)c4)OC,0.0
63652,CO-ADD:0320130,-1.77,n1(c(C)c(nn1)C(OCC)=O)c2nonc2NCNc3nonc3n4c(C)c(nn4)C(OCC)=O,0.0
63653,CO-ADD:0323398,-1.77,c1(N(C)C2=O)c(n(c(SCC(NCCc3ccccc3)=O)n1)C)C(N2Cc4ccccc4Cl)=O,0.0
63654,CO-ADD:0319234,-1.77,c1(N(C)C)nc(NCCOC(C2)(C3)CC(CC3CC24)C4)nc(OCC(F)(F)F)n1,0.0
63655,CO-ADD:0320104,-1.77,N(c1c(cccc1)NC(CC(c(cc2)ccc2C(C)(C)C)CC3=O)=C34)(C(=O)C5CC5)C4c(cc6)ccc6C(OC)=O,0.0
63656,CO-ADD:0320073,-1.77,C(=C\Nc(cc1)ccc1C(OCCN(CC)CC)=O)(/C2=O)\C(=O)NC(=O)N2,0.0
63657,CO-ADD:0319618,-1.77,N1(CC)\C(=N/CC)\SC(C(NCCc2ccccc2)=O)CC1=O,0.0
63658,CO-ADD:0319479,-1.77,S(NCCOc(cc1)ccc1Cl)(=O)(=O)c2ccc(cc2)Cl,0.0
63659,CO-ADD:0319192,-1.77,c1(NC(=O)C2C(C2(C)C)\C=C(/Cl)\Cl)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
63660,CO-ADD:0324765,-1.77,C(C(=O)c1ccc(cc1)Cl)(C2c(cc3)ccc3C(OC)=O)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
63661,CO-ADD:0318993,-1.78,c1(c(C)nn(c2ccccc2)c1O)C(c3cc(Br)cc(Cl)c3O)c4c(C)nn(c5ccccc5)c4O,0.0
63662,CO-ADD:0319876,-1.78,c1(N2CCCCC2)nc(Nc(cc3)ccc3OC(F)(F)Cl)nc(NC(C)(C)C)n1,0.0
63663,CO-ADD:0319458,-1.78,C1(=O)N(c2ccc(cc2)Cl)C(C)=CC(C)=C1C(O)=O,0.0
63664,CO-ADD:0327192,-1.78,n1(c(N)c(nn1)C#N)c2nonc2N,0.0
63665,CO-ADD:0329585,-1.78,S(=O)(=O)(Nc(cc1)ccc1OCC(O)=O)c2ccc(c(C)c2)OC,0.0
63666,CO-ADD:0326353,-1.78,c1(ccc(o1)\C=C(\C(NCCCn2cccn2)=O)/NC(c3ccccc3)=O)c4ccccc4OC,0.0
63667,CO-ADD:0327541,-1.78,[N+](=O)([O-])c(cc(Oc(cc1)ccc1Br)c(c23)C=Cc(cccc4)c4O2)c3,0.0
63668,CO-ADD:0327269,-1.78,N(\C(=C/c1cc(cccc2)c2nc1N3CCCCC3)\C(O4)=O)=C4c5ccccc5,0.0
63669,CO-ADD:0327781,-1.78,C(=O)(NC(=O)C(C12CCCCC1)C#N)C2C(S)=O,0.0
63670,CO-ADD:0329801,-1.78,c(nnc1SCC(=O)N(c2ccccc2)c3ccccc3)(nc(NCC)nc4NCC)n14,0.0
63671,CO-ADD:0330017,-1.78,C1(C(=O)NC(N2c3ccc(cc3)Cl)=O)=C2NC(=O)C1(NC(CCc4ccccc4)=O)C(F)(F)F,0.0
63672,CO-ADD:0329833,-1.78,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)Nc(cc3)ccc3S(=O)(=O)Nc4sccn4,0.0
63673,CO-ADD:0329418,-1.78,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(c2ccc(cc2)C)CC(OCC)=O,0.0
63674,CO-ADD:0329632,-1.78,c12c(nnc(SCC(=O)NCc(ccc(c34)OCO3)c4)n1)c5c(cccc5)n2CCC,0.0
63675,CO-ADD:0329648,-1.78,c1(c2ccccc2F)nnn(CC(=O)Nc(ccc(c3Cl)Cl)c3)n1,0.0
63676,CO-ADD:0329617,-1.78,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c3ccc(c(C)c3)OC,0.0
63677,CO-ADD:0329909,-1.78,c1(cc(O)ccc1NC(=O)c2ccc(cc2)F)C(O)=O,0.0
63678,CO-ADD:0331765,-1.78,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cc(OC)c(c4[N+](=O)[O-])O)c4,0.0
63679,CO-ADD:0331870,-1.78,n1(nnc(C(OCC)=O)c1CNc(cc2)ccc2OCC)c3nonc3N,0.0
63680,CO-ADD:0332398,-1.78,C(Nc1ccc(cn1)C)(C(F)(F)F)(C(F)(F)F)NC(=O)c2cccc(F)c2,0.0
63681,CO-ADD:0332455,-1.78,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3C(C)(C)C)n2)Cc4ccccc4Cl,0.0
63682,CO-ADD:0331338,-1.78,C1(C(=O)NC(N2c3ccc(cc3)Cl)=O)=C2NC(=O)C1(NC(C)=O)C(F)(F)F,0.0
63683,CO-ADD:0331545,-1.78,c1(sc2c(c(C)cc(C)n2)c1N)C3=NC(Cc(cccc4)c34)(C)C,0.0
63684,CO-ADD:0330060,-1.79,n1(Cc2ccccc2)c(cccc3)c3c(SC)c1CC(NCCc(ccc(c4OCC)OCC)c4)=O,0.0
63685,CO-ADD:0329645,-1.79,N1(C(=O)CSc2nnnn2C)c3c(cccc3)Sc(ccc(Cl)c4)c14,0.0
63686,CO-ADD:0329997,-1.79,N1(c2ccc(cc2)OC)C(c3ccc(cc3)C)N4N(CCC4)C1=S,0.0
63687,CO-ADD:0328872,-1.79,N1(c2ccccc2)C(=O)C(N(CCc(cc3)ccc3F)C1=S)CC(=O)Nc(cc4)ccc4C(OCC)=O,0.0
63688,CO-ADD:0328811,-1.79,N(C(=O)c1ccc(cc1)F)C(=O)Nc2cc([nH]n2)C,0.0
63689,CO-ADD:0323511,-1.79,C(=O)(Nc(cccn1)c1)c2ccc(c(OC)c2)OCc3ccccc3Cl,0.0
63690,CO-ADD:0324720,-1.79,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(Cl)s4)cc(c(C)c3)C,0.0
63691,CO-ADD:0323113,-1.79,C(=N\c1ccccc1)(/SC(C(=O)Nc(cc2)ccc2Cl)CC3=O)\N3CCOC(C4)(C5)CC(CC5CC46)C6,0.0
63692,CO-ADD:0321486,-1.79,C(=N\NC(=O)CC(=O)NC(C)(C)Cc(cc1)ccc1O)(/c2c(N3)cccc2)\C3=O,0.0
63693,CO-ADD:0321494,-1.79,C1(C)(C)C(C1\C=C(/Cl)\Cl)C(=O)Nc(ccc(c2Cl)C)c2,0.0
63694,CO-ADD:0323941,-1.79,N1(CC(NCCc(ccc(c2OCC)OCC)c2)=O)C(=O)c3c(C(c4ccc(cc4)Cl)=N1)cccc3,0.0
63695,CO-ADD:0323702,-1.79,[nH]1c(cccc2)c2c(CCNC(C3CCCCC3)=O)c1C,0.0
63696,CO-ADD:0321007,-1.79,C(=C\c(cc(cccc1)c1n2)c2O)(/C3=O)\C(=O)NC(=O)N3,0.0
63697,CO-ADD:0319302,-1.79,c(C=O)(c1c2ccccc2)c(cccc3)n3c1C=O,0.0
63698,CO-ADD:0324577,-1.79,[N+](=O)([O-])c(cccc1\C=C(\C(NCCc(c2c([nH]3)cccc2)c3C)=O)/NC(=O)c4ccccc4Cl)c1,0.0
63699,CO-ADD:0324617,-1.79,N(Cc1ccccc1)(C(=O)C(C23)C(c4ccc(cc4O)O)NC2(CCC(O)=O)C(O)=O)C3=O,0.0
63700,CO-ADD:0324586,-1.79,c1(NN)c(OC)ccc(Cl)c1.Cl,0.0
63701,CO-ADD:0323751,-1.79,c1(C2OCCS2)c3c(n(c4ccccc4)n1)cc(cc3SCc(cc5)ccc5Cl)[N+](=O)[O-],0.0
63702,CO-ADD:0324384,-1.79,c(CN(c1ccc(cc1)F)C(c2ccccc2)=O)(c(C)[nH]c3C(OCC)=O)c3C,0.0
63703,CO-ADD:0323983,-1.79,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(cc2)ccc2[N+](=O)[O-],0.0
63704,CO-ADD:0320844,-1.79,N1(c(cccc2C(F)(F)F)c2)C(=O)NC(\C(=C/c3ccccc3OCC(O)=O)\C1=O)=O,0.0
63705,CO-ADD:0321516,-1.79,N1(c(cccc2C(F)(F)F)c2)C(CSC3=Nc(ccc(c4)Cl)c4C(=O)N3)=Nc(c5C1=O)cccc5,0.0
63706,CO-ADD:0321504,-1.79,C(O)(CCC(OC\C=C\c1ccccc1)=O)=O,0.0
63707,CO-ADD:0319244,-1.79,[N+](=O)([O-])C(CO)(CO1)COC1c2c(OC)ccc(c2)[N+](=O)[O-],0.0
63708,CO-ADD:0319363,-1.79,C(NCCOc(cc1)ccc1Cl)(=O)c2ccc(cc2)C,0.0
63709,CO-ADD:0318956,-1.79,c12c(C(N(C)C(=O)N1C)=O)n(c(N3CCCC(C)C3)n2)CC(=O)c4ccc(cc4)Br,0.0
63710,CO-ADD:0321142,-1.79,N1(CC2CCCO2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cc(on4)C,0.0
63711,CO-ADD:0319021,-1.79,C(C(=O)c1ccc(cc1)Cl)(C2c3ccccc3F)=C(O)C(N2Cc(cccn4)c4)=O,0.0
63712,CO-ADD:0319029,-1.79,c1(NC(COc(ccc(c23)OCO2)c3)=O)sc(c(C)c1C(OCC)=O)C,0.0
63713,CO-ADD:0327374,-1.79,N1(c2cc(C)ccc2C)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccccc4C,0.0
63714,CO-ADD:0328800,-1.79,N1(c2cccc(OC)c2)C(=O)C(CC1=O)NNc3c(Cl)cc(cn3)Cl,0.0
63715,CO-ADD:0328816,-1.79,c1(C(OC)=O)scc(OCCO2)c12,0.0
63716,CO-ADD:0330018,-1.79,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccs2)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
63717,CO-ADD:0329195,-1.8,n1c(c2ccccc2F)onc1c3ccc(Br)o3,0.0
63718,CO-ADD:0328228,-1.8,S(c1ccccc1)(=O)(=O)c2c(O)c(C)cc(NS(=O)(=O)c3ccc(cc3)OC)c2C(C)C,0.0
63719,CO-ADD:0329934,-1.8,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(c(OC)c4)OC)cc(c(C)c3)C,0.0
63720,CO-ADD:0331942,-1.8,C1(C(=O)NC(C)(CC)C#C)=Cc2c(OC1=O)ccc(Br)c2,0.0
63721,CO-ADD:0332015,-1.8,c1(C2c3ccc(c(OCC)c3)O)c([nH]nc1c(cccn4)c4)OC(N)=C2C#N,0.0
63722,CO-ADD:0332031,-1.8,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)c4cccc(OC)c4)cc(cc3)OC,0.0
63723,CO-ADD:0331708,-1.8,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)NC3=C1C(=O)NC(N3c4ccc(cc4)OC)=O,0.0
63724,CO-ADD:0331228,-1.8,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(NCCc(ccc(c2OC)OC)c2)=O)Cl)c1,0.0
63725,CO-ADD:0331197,-1.8,c12c(c(cc(c3)[N+](=O)[O-])SCC(CO4)OC14)c3n(c5ccccc5)n2,0.0
63726,CO-ADD:0328978,-1.8,c12c(ccc(C(NCCc(c(cccc3C)c3[nH]4)c4C)=O)c1[N+](=O)[O-])C(=O)c(c5C2=O)cccc5,0.0
63727,CO-ADD:0327458,-1.8,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2Br)nnc1c3cccs3,0.0
63728,CO-ADD:0327474,-1.8,C(Nc(cccc1C(O)=O)c1)(C(=O)c(cccc2)c2C3=O)=C3N4CCCCC4,0.0
63729,CO-ADD:0326065,-1.8,c1(c(c2)scn2)nc(c3n1CC(=O)Nc(cc4)ccc4C(C)=O)cccc3.CC(=O)O,0.0
63730,CO-ADD:0328385,-1.8,N1(C(=O)c2ccco2)c3c(cccc3)C(CC1(C)C)(C)c4ccccc4,0.0
63731,CO-ADD:0324449,-1.8,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4c(OC)ccc(OC)c4,0.0
63732,CO-ADD:0324698,-1.8,c1(cc(OC)cc(OC)c1)C(=O)c(cc2)ccc2C(=O)Nc3ccc(c(cccn4)c34)Br,0.0
63733,CO-ADD:0321487,-1.8,C(/N1)(=C/C(N)=O)\C2(CC1(C)C)C=CC(C(C)=C2)=O,0.0
63734,CO-ADD:0319296,-1.8,C(CSCc(cc1)ccc1CSCC(=O)Nc(ccc(c23)cccc2)c3)(=O)Nc(ccc(c45)cccc4)c5,0.0
63735,CO-ADD:0324076,-1.8,N1(c2ccc(c3c2)OCO3)C(C)=Nc(c4C1=O)ccc(c(ccc(c5C6=O)N=C(N6c7ccc(c8c7)OCO8)C)c5)c4,0.0
63736,CO-ADD:0323873,-1.8,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc5cccc(O)c5)c2,0.0
63737,CO-ADD:0324147,-1.8,S(=O)(=O)(N1CCCCCC1)c2ccc(c(OC)c2)Cl,0.0
63738,CO-ADD:0318747,-1.8,c1(C2CCCCC2)cc(Cl)ccc1OCC(=O)Nc(cccn3)c3,0.0
63739,CO-ADD:0323011,-1.8,C12(CC3CC(CC(C3)C1)C2)N(CC4)CCN4C(NCCc5ccccc5)=S,0.0
63740,CO-ADD:0323853,-1.8,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2C34CC(CC5C3)CC(C5)C4,0.0
63741,CO-ADD:0320420,-1.8,S(=O)(=O)(Nc1cccc(OCCCCCC)c1)C2=C(C)NC(NC2=O)=O,0.0
63742,CO-ADD:0328728,-1.8,c(sc(c12)nc(cc1C(F)(F)F)c3cccs3)(c2N)c4nc(N)nc(N(CC5)CCO5)n4,0.0
63743,CO-ADD:0328273,-1.8,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c3c(OC)ccc(Cl)c3,0.0
63744,CO-ADD:0329146,-1.8,C12=C(CC(CC1=O)c(cc3OC)cc(c3OC)OC)Nc(c4NC2c5ccc(cc5)O)cccc4,0.0
63745,CO-ADD:0329958,-1.8,c1(ccc(COc(cc2)ccc2Cl)o1)C(=O)Nc(cc3)ccc3CC#N,0.0
63746,CO-ADD:0329375,-1.8,c1(cc(O)ccc1NC(CCCOc2ccc(cc2Cl)Cl)=O)C(O)=O,0.0
63747,CO-ADD:0329759,-1.8,C1(NC(C)=O)(C(F)(F)F)C(=O)N(C(=O)N1)C,0.0
63748,CO-ADD:0327216,-1.8,C1(c2ccccc2)(Nc(cccc3C(C)O)c3)C(=O)c4c(cccc4)C1=O,0.0
63749,CO-ADD:0328605,-1.8,C1(=O)c2c(cc(cc2[N+](=O)[O-])Oc3ccccc3)Oc(cccc4)c4N1Cc5cccc(C)c5,0.0
63750,CO-ADD:0330905,-1.8,c1(CNCC2NCCc(cccc3)c23)c(cccc1F)F,0.0
63751,CO-ADD:0332279,-1.8,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)NC(c2ccc(cc2)OC)CC(O)=O,0.0
63752,CO-ADD:0331783,-1.8,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(c(OC)c5)O,0.0
63753,CO-ADD:0332216,-1.8,C1(C(OCCSCC)=O)=C(C)NC(NC1c2ccc(c3c2)cccc3)=O,0.0
63754,CO-ADD:0331784,-1.81,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(OC)c4OC,0.0
63755,CO-ADD:0331808,-1.81,c1(SC(F)(F)C(F)(F)F)c(Cl)c(Cl)nc(N\N=C\c(cc2C(C)(C)C)cc(c2O)C(C)(C)C)c1Cl,0.0
63756,CO-ADD:0331636,-1.81,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5c(C)cc(c(OC)c5)C,0.0
63757,CO-ADD:0331292,-1.81,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCOC(C4)(CC5CC4CC6C5)C6)C78CC(CC9C7)CC(C9)C8,0.0
63758,CO-ADD:0331301,-1.81,C12=C(CC(CC1=O)c(cc3OC)cc(c3OC)OC)Nc(c4NC2c(cc5)cc(c5OC(C)=O)OCC)cccc4,0.0
63759,CO-ADD:0331317,-1.81,C1(C(F)(F)F)(NC(=O)c(cccn2)c2)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
63760,CO-ADD:0326418,-1.81,C1(c2ccc(cc2)CC)(OC(C3(C)C)=O)C3OC(=O)C1(C)C,0.0
63761,CO-ADD:0327486,-1.81,S1(=O)(=O)c2c(c3N1CC(=O)N\N=C\c(cc4OC)cc(c4O)Cl)c(ccc2)ccc3,0.0
63762,CO-ADD:0327240,-1.81,o1c(S)nnc1c2ccc(cc2)F,0.0
63763,CO-ADD:0327761,-1.81,N1(N=C(S2)C)C2=NC(=O)\C(=C\c(c(cccc3)c3n4Cc(cc5)ccc5Cl)c4)\C1=N,0.0
63764,CO-ADD:0326098,-1.81,n1(nc(n2)CC(O)=O)c2NC(C)=CC1=O,0.0
63765,CO-ADD:0320387,-1.81,[N+](=O)([O-])c1ccc(cc1NCc(cccn2)c2)N(CC3)CCN3,0.0
63766,CO-ADD:0323690,-1.81,c1(NC(NCC=C)=S)n[nH]c2c1c(C)cc(n2)C,0.0
63767,CO-ADD:0323642,-1.81,n1(CC(=O)N(c2cccc(C)c2)C3(CCCCC3)C(=O)Nc4c(C)cccc4C)nnnc1N,0.0
63768,CO-ADD:0323353,-1.81,N1(CC(=O)Nc(cc2)ccc2OCC(OC)=O)C(=O)c3c(C(c4ccc(cc4)Cl)=N1)cccc3,0.0
63769,CO-ADD:0323369,-1.81,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c(c3c4cccc3)nnc4Nc5ccc(cc5C)C)c2,0.0
63770,CO-ADD:0323529,-1.81,c1(NC(=O)c2ccc(Br)o2)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
63771,CO-ADD:0323611,-1.81,C(NCCC(C1)(CC2CC1CC3C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccccc4F,0.0
63772,CO-ADD:0321003,-1.81,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccccc5OC)C(OC)=O,0.0
63773,CO-ADD:0323094,-1.81,N1(c2ccccc2OC)C(=O)C(CC1=O)NCCOC(C3)(CC4CC3CC5C4)C5,0.0
63774,CO-ADD:0320976,-1.81,c(nc(Nc(cc1)ccc1OC(F)(F)F)nc2n3c(C)cc(C)n3)(n4c(C)cc(C)n4)n2,0.0
63775,CO-ADD:0320076,-1.81,c12c(CCNC1c3cccc(Cl)c3)cc(c(OCC)c2)OCC,0.0
63776,CO-ADD:0320201,-1.81,s1c(SCC(=O)Nc(cc2)ccc2OC(Cl)(F)F)nnc1SCC(=O)Nc(cc3)ccc3OC(Cl)(F)F,0.0
63777,CO-ADD:0318699,-1.81,C(C#N)(C1c2ccc(cc2)OCc3c(cccc3Cl)F)=C(N)OC(CC(c4ccco4)CC5=O)=C15,0.0
63778,CO-ADD:0318925,-1.81,N1(c2ccc(c(C)c2)C)C(=O)\C(\SC1=N)=C\c(cc3)ccc3OCc4ccccc4F,0.0
63779,CO-ADD:0318733,-1.81,N(C(=O)c1ccco1)(N(C=CC=C2C)C2=N3)C3=S,0.0
63780,CO-ADD:0327853,-1.81,N1(CN(CCOc2ccc(cc2C)Cl)CN3C(=O)c4c(cccc4)C3=O)C(=O)c(c5C1=O)cccc5,0.0
63781,CO-ADD:0327669,-1.81,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCO)C45CC(CC6C4)CC(C6)C5,0.0
63782,CO-ADD:0327150,-1.81,c1(C(CCCC2)C23C)c(ccc(cccc4)c14)C(N3)=O,0.0
63783,CO-ADD:0326347,-1.81,c12n(C(CS1)c3ccc(cc3)Cl)cnc4c2ncn4,0.0
63784,CO-ADD:0327166,-1.81,[nH](c(ccc(c1)OC)c1c2CCNCc3cccc(OCC)c3O)c2C,0.0
63785,CO-ADD:0326379,-1.81,[nH](c(ccc(c1)OC)c1c2CCNCc3ccc(cc3F)F)c2C,0.0
63786,CO-ADD:0328301,-1.81,C(C(c1ccccc1)=O)(C2c3cccc(OC)c3)=C(O)C(N2c4ccc(c(Br)c4)C)=O,0.0
63787,CO-ADD:0328206,-1.81,S(c1ccccc1)(=O)(=O)c2cc(cc(C)c2O)NS(=O)(=O)c3ccc(cc3)OC,0.0
63788,CO-ADD:0327903,-1.81,C1(C(c2ccccc2)=O)C(C)=NN(CCCCCCC)C1=O,0.0
63789,CO-ADD:0329665,-1.81,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)F)c2C)(=O)(=O)c3ccc(cc3)OCC,0.0
63790,CO-ADD:0329550,-1.82,C(C(OC)=O)(NS(C)(=O)=O)(C(F)(F)F)c1c2c([nH]c1)cccc2,0.0
63791,CO-ADD:0331141,-1.82,n1c2c([nH]c1SCCc3ccccc3)ccc(OCC)c2,0.0
63792,CO-ADD:0331684,-1.82,[N+](=O)([O-])c1cccc(c1)C(NC(Cc(cc2)ccc2OC)=O)CC(O)=O,0.0
63793,CO-ADD:0332513,-1.82,c1(cc(F)c(cc1Cl)F)C(=O)Nc(ccc(c23)OCO2)c3,0.0
63794,CO-ADD:0331897,-1.82,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3c(OCC)ccc(OCC)c3,0.0
63795,CO-ADD:0331366,-1.82,c1(ncn(c23)nc(c(cc4)ccn4)n2)c3cnn1c5ccccc5,0.0
63796,CO-ADD:0331120,-1.82,c(c1c(n2CC(=O)NC3CCCC3)cccc1)(C(=O)C(F)(F)F)c2,0.0
63797,CO-ADD:0328140,-1.82,c1(NC(=O)c(cccc2S(=O)(=O)Nc3ccccc3)c2)sc(c4c1C#N)CC(CC4)C,0.0
63798,CO-ADD:0328965,-1.82,N1(CCc(c2c([nH]3)cccc2)c3C)C(=O)C4C(CCCC4)C1=O,0.0
63799,CO-ADD:0328845,-1.82,N1(CCc(cnc(OCC=C)c2C#N)c12)Cc3ccccc3,0.0
63800,CO-ADD:0323180,-1.82,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3ccc(c(OC)c3OC)OC,0.0
63801,CO-ADD:0323372,-1.82,S(NCCCC)(=O)(=O)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4OC(Cl)(F)F)c1,0.0
63802,CO-ADD:0323972,-1.82,S(NCCC(C1)(CC(C2)CC3CC12)C3)(=O)(=O)c4ccc(c(cccc5)c45)OC,0.0
63803,CO-ADD:0323382,-1.82,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5C(=O)N6CCCCC6)c2,0.0
63804,CO-ADD:0319991,-1.82,c1(c[nH]nc1c2ccc(cc2)F)C3c4c(ccc5c4cccn5)NC(CC(C)(C)CC6=O)=C36,0.0
63805,CO-ADD:0321112,-1.82,c1(NC(COc(cc2)ccc2F)=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
63806,CO-ADD:0321153,-1.82,c1(NC(Cc2ccccc2)=O)sc(c3c1C(N)=O)CCCCC3,0.0
63807,CO-ADD:0320497,-1.82,N1(Cc2ccccc2)\C(=N/c(cc3)ccc3Cl)\SC(C(=O)Nc(cc4)ccc4OC(F)(Cl)F)CC1=O,0.0
63808,CO-ADD:0318816,-1.82,c1(NC(COc(cc2)ccc2F)=O)sc(c3c1C(N)=O)CCCC3,0.0
63809,CO-ADD:0320426,-1.82,c1(N(CC2)CCN2c3cccc(Cl)c3)nc(Nc(cc4)ccc4OC(F)(F)F)nc(N(C)C)n1,0.0
63810,CO-ADD:0329214,-1.82,S(C)(=O)(=O)N1CCC(CC1)OC,0.0
63811,CO-ADD:0328839,-1.82,S([C@H](O[C@@H]1COC(c2ccccc2)=O)[C@H](OC(c3ccccc3)=O)[C@@H](OC(c4ccccc4)=O)[C@@H]1OC(c5ccccc5)=O)C(N(c6ccccc6)C(=O)c(cccc7)c78)=N8,0.0
63812,CO-ADD:0328167,-1.82,c12c(n(c(NCCc(ccc(c3OCC)OCC)c3)n1)CC)C(N(C)C(=O)N2C)=O,0.0
63813,CO-ADD:0329983,-1.82,c12c(c(c3OC1=O)cccc3OC)c4c(CCC(C)C4)nc2N,0.0
63814,CO-ADD:0326828,-1.82,N#CC(C)(C)C(CCC1(C)NC(C)=O)C1,0.0
63815,CO-ADD:0329590,-1.82,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3ccc(c(C)c3C)C,0.0
63816,CO-ADD:0329344,-1.82,N1(C(=O)CSc2nnc(N)s2)C(C)(C)C=C(c(cc(C)cc3C)c13)C,0.0
63817,CO-ADD:0329392,-1.82,[N+](=O)([O-])c(cc(Oc(cc1)ccc1Cl)c(c23)C=Cc(cccc4)c4O2)c3,0.0
63818,CO-ADD:0329720,-1.82,S(NCCc(c1c([nH]2)ccc(c1)OC(F)(F)Cl)c2C)(=O)(=O)c(ccc(c3C(=O)Nc4ccccc4)Cl)c3,0.0
63819,CO-ADD:0329240,-1.82,c1(cnc(C)n1CC(=O)NC2CCCC2)[N+](=O)[O-],0.0
63820,CO-ADD:0332625,-1.82,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
63821,CO-ADD:0332602,-1.82,n1(c(cc2)ccc2C(N)=O)nnnc1SCCNS(=O)(=O)c3ccc(cc3)C,0.0
63822,CO-ADD:0332467,-1.82,C1(C(=O)c(cccc2[N+](=O)[O-])c2)C(C)=NN(CCCCC)C1=O,0.0
63823,CO-ADD:0331812,-1.82,n1c(N2CCCC2)nc(nc1N3CCCC3)Nc(cc4)ccc4[N+](=O)[O-],0.0
63824,CO-ADD:0332165,-1.82,C(=O)(c(ccc(c1Cl)Cl)c1)NC(C)(CC)C#C,0.0
63825,CO-ADD:0331574,-1.82,C(=O)(c1ccc(c(OC)c1)OC)NC(C)(CC)C#C,0.0
63826,CO-ADD:0331748,-1.83,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(OCCOC)=O,0.0
63827,CO-ADD:0331375,-1.83,C(=O)(NC(c1ccc(c(OC)c1)OCC)CC(O)=O)c2ccccc2Br,0.0
63828,CO-ADD:0331328,-1.83,C1(C(F)(F)F)(NC(c(cc2)ccn2)=O)C(=O)N(C(=O)N1)c3ccc(cc3)F,0.0
63829,CO-ADD:0329519,-1.83,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)C)C(=O)N(C(CC(C)(C)CC3=O)=C13)Cc4ccccn4,0.0
63830,CO-ADD:0329535,-1.83,C(C(=O)c1cccs1)(C2c3ccccc3)=C(Nc4ccccc4)C(N2c5ccccc5)=O,0.0
63831,CO-ADD:0327793,-1.83,c1([C@H]2C[C@@H](C(C)(C)[C@@]23C)CC3)c(O)c([C@H]4[C@](C(C)(C)[C@H]5C4)(C)CC5)cc(CNCCCCCC)c1,0.0
63832,CO-ADD:0328925,-1.83,N1(NC(C)=O)C2(CCCC2)Nc(c3C1=O)cccc3,0.0
63833,CO-ADD:0320245,-1.83,C1(=O)N(c2cccc(F)c2)C(C)=CC(C)=C1C#N,0.0
63834,CO-ADD:0324150,-1.83,c(C#N)(c1c2ccco2)c([Se]CC(N)=O)nc(N)c1C#N,0.0
63835,CO-ADD:0321027,-1.83,C(=N/c(cc1)ccc1F)(/SC(C(NCCc(ccc(c2OCC)OCC)c2)=O)CC3=O)\N3CCc4ccccc4,0.0
63836,CO-ADD:0324397,-1.83,N1(CC)C(=O)\C(=C/Nc(cc2)ccc2C(OCCN(CC)CC)=O)\C(NC1=S)=O,0.0
63837,CO-ADD:0323590,-1.83,c1(nn(cn1)CNc2cc(Br)cc(cccn3)c23)[N+](=O)[O-],0.0
63838,CO-ADD:0318884,-1.83,C(=O)(N(CC1)CCN1c2ccc(cc2F)C(CCC)=O)c3ccccc3F,0.0
63839,CO-ADD:0318828,-1.83,N1(C(C)=O)C(CC(c2ccc(cc2)Br)=N1)c3cc(OC)ccc3OC,0.0
63840,CO-ADD:0319179,-1.83,c1(NC(COc(cc2C)cc(c2Cl)C)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
63841,CO-ADD:0320432,-1.83,n12c(nnn1)c(nc(non3)c23)N4CCCC4,0.0
63842,CO-ADD:0318935,-1.83,N1(c2ccccc2OC)C(=O)\C(\SC1=N)=C\c(cc3)ccc3OCc4ccccc4F,0.0
63843,CO-ADD:0326259,-1.83,c1(cn(c(C)n1)[C@@H]2[C@@H](C3)O[C@H](C(OCC)(O)C2)O3)[N+](=O)[O-],0.0
63844,CO-ADD:0326366,-1.83,S(=O)(=O)(Nc(cc1)ccc1O)c(cc2)c3c(c2SC4=O)c4ccc3,0.0
63845,CO-ADD:0325958,-1.83,C(NCCOC(CC(CC1C2)CC23)(C3)C1)(NC(C)=O)(C(F)(F)F)C(F)(F)F,0.0
63846,CO-ADD:0326128,-1.83,c1(C2=O)c(sc(CC(CC)CC3)c13)N=C(SCC(=O)Nc(cccc4[N+](=O)[O-])c4)N2c5ccccc5,0.0
63847,CO-ADD:0326408,-1.83,n12c(S\C(=C/c(cc3OC)cc(c3OCc4ccccc4F)OC)\C1=O)nc(cc(C)c(C)c5)c25,0.0
63848,CO-ADD:0327808,-1.83,c1cc(nc(c2cc([C@]([H])(C3)[C@](C)(C(C)(C)[C@@H]34)CC4)c(O)c([C@]5([H])C[C@H](C(C)(C)C56C)CC6)c2)[nH]7)c7cc1,0.0
63849,CO-ADD:0329921,-1.83,c(c1CCCC2)(n3cc1c4ccc(cc4)F)n2c(n3)c5ccc(cc5)OC,0.0
63850,CO-ADD:0327706,-1.83,c1(c([N+](=O)[O-])c(nn1C23CC4CC(CC(C4)C2)C3)C)n(nc(c5[N+](=O)[O-])C)c5C,0.0
63851,CO-ADD:0328318,-1.83,n12c(c3c(cccc3)c(N(CC4)CCN4)n1)nnc2C(F)(F)C(F)(F)F,0.0
63852,CO-ADD:0331453,-1.83,c(c1N)(sc2c1cc(c3n2)CCCCC3)C4=NC(Cc(cccc5)c45)(C)C,0.0
63853,CO-ADD:0331422,-1.84,n1c(c(cc2)ccc2S(C)(=O)=O)nnn1CC(=O)NC(C)(CC)C#C,0.0
63854,CO-ADD:0331334,-1.84,c1(c(c2ccccc2)c(n3C4CCCCC4)c5ccccc5)c3ncn(nc(c(cc6)ccn6)n7)c17,0.0
63855,CO-ADD:0331457,-1.84,n1(n2)c(nc(c3ccccc3)cc1c4ccccc4)cc2C(=O)N(C)c5ccc(cc5)OC(F)(F)F,0.0
63856,CO-ADD:0332432,-1.84,S(=O)(=O)(c1ccc(cc1)OC)N2Cc(cccc3)c3CC2C(=O)Nc(cc4)ccc4C,0.0
63857,CO-ADD:0331725,-1.84,S(=O)(=O)(c1ccc(cc1)SC)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc(ccc(c4OC)OC)c4,0.0
63858,CO-ADD:0331022,-1.84,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
63859,CO-ADD:0331038,-1.84,N1(c2c(S3)cccc2)C3=NC(C(F)(F)F)=C(C#N)C1=N,0.0
63860,CO-ADD:0331376,-1.84,C(F)(F)(F)Oc(cc1)ccc1NC(COc2ccccc2C#N)=O,0.0
63861,CO-ADD:0327961,-1.84,C(O)(C(F)(F)F)(C(F)(F)F)c(c(O)cc(c1C(O)(C(F)(F)F)C(F)(F)F)F)c1,0.0
63862,CO-ADD:0327162,-1.84,C12(C#N)C(C1c3ccc(cc3)Cl)(C#N)C(=NC2(OC)OC)N,0.0
63863,CO-ADD:0327977,-1.84,N(C1)(C(C=C1c2ccccc2)=CC(=C3C#N)C)C3=O,0.0
63864,CO-ADD:0327401,-1.84,n1(n2)c(nc(cc1C(F)(F)Cl)c3ccco3)cc2C(=O)N(CC4)CCS4,0.0
63865,CO-ADD:0327945,-1.84,n1c(c2ccccc2)c(cn1c3ccccc3)\C=C\C(O)=O,0.0
63866,CO-ADD:0319231,-1.84,N1(Cc2ccccc2)\C(=N\c(cc3)ccc3OC(Cl)(F)F)\SC(C(=O)Nc(cc4)ccc4C(OC)=O)CC1=O,0.0
63867,CO-ADD:0321308,-1.84,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCCOc(cc4)ccc4Br)c3)\C2=N,0.0
63868,CO-ADD:0320952,-1.84,c12c(cc(cc1NC(=O)c3ccc(cc3Cl)Cl)[N+](=O)[O-])oc(c4ccccc4)c2,0.0
63869,CO-ADD:0323265,-1.84,n1(CC(=O)N(CC)C2(CCCCC2)C(=O)Nc3c(C)cccc3C)nnnc1N,0.0
63870,CO-ADD:0321403,-1.84,c1(C(OC)=O)sc2c(c(cc(SCC(OC)=O)c2)SCC(=O)N3)c13,0.0
63871,CO-ADD:0324507,-1.84,N1(NC(=O)c(cc2)ccc2[N+](=O)[O-])C(=O)c3c(NC1c4cccc(C)n4)cccc3,0.0
63872,CO-ADD:0320638,-1.84,C12(C=Cc(c(ccc3[N+](=O)[O-])O1)c3)C(C)(C)c(c4N2CC(NC)=O)cccc4,0.0
63873,CO-ADD:0319711,-1.84,C1(C2c(cc3)ccc3N(C)C)=C(CC(c4ccc(cc4)Cl)CC1=O)Nc(c5N2C(CCC(O)=O)=O)cccc5,0.0
63874,CO-ADD:0320055,-1.84,c12c(CCNC1c3ccc(c(OC)c3)O)cc(c(OCC)c2)OCC,0.0
63875,CO-ADD:0319475,-1.84,n1(C)c(c(cc2)ccc2C(C)(C)C)nnc1Sc3ccc(cc3[N+](=O)[O-])C(F)(F)F,0.0
63876,CO-ADD:0319523,-1.84,c12c(n(cn1)CCCC(=N)N3CCCCC3)C(N(C)C(=O)N2C)=O,0.0
63877,CO-ADD:0321146,-1.84,c1(cc(O)ccc1NC(=O)C(C)=C)C(O)=O,0.0
63878,CO-ADD:0319532,-1.84,N1(CCc(c23)cccc2)C3CN\C(=C\C(=O)c4ccc(cc4)F)\C1=O,0.0
63879,CO-ADD:0318793,-1.84,c1(C(=O)Nc2sc(c(C)c2C(OC)=O)C)c(Cl)c3c(cccc3)s1,0.0
63880,CO-ADD:0328458,-1.84,n1c(C(N)=O)nc(nc1N(CCCC)CCCC)OC,0.0
63881,CO-ADD:0329890,-1.84,C1(CC(O)=O)=C(CCC1=O)c2cccs2,0.0
63882,CO-ADD:0328451,-1.84,c1(N2CCCCC2)nc(NCC)nc(OCC(N)=O)n1,0.0
63883,CO-ADD:0326425,-1.84,C(C(=O)c1c(C)cc(cc1C)C)(OC2=O)C(C)(C)C(C2(C)C)=O,0.0
63884,CO-ADD:0326130,-1.84,N1(CC(CC1C2)(C)CC2(C)C)C(=O)c3ccc(cc3)NC(=O)c4ccc(cc4)OCCCCCCCCCC,0.0
63885,CO-ADD:0326146,-1.84,N1(CCCCCC(NCCc(c2c([nH]3)cccc2)c3)=O)C(=O)c(c4C1=O)cccc4,0.0
63886,CO-ADD:0328599,-1.84,n1(c2c(C)cccc2C)nnnc1C(C)(CC)NCc(ccc3C(OCC)=O)o3,0.0
63887,CO-ADD:0328623,-1.84,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccs2)NC3=C1C(=O)NC(N3Cc4ccccc4)=O,0.0
63888,CO-ADD:0328065,-1.84,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4c(OC)cc(c(OC)c4)Cl,0.0
63889,CO-ADD:0327681,-1.85,n1(c2ccc(cc2)OC)nnnc1SCc3[nH]c(c4n3)cccc4,0.0
63890,CO-ADD:0327834,-1.85,c(C(=O)OCc1ccccc1)(sc(c23)nc(c4c2CC)CCCCCC4)c3N,0.0
63891,CO-ADD:0329924,-1.85,c12c(C(SCC(=O)N1)c(cc3OC)cc(c3OC)OC)c(nn2c4ccccc4)c5ccccc5,0.0
63892,CO-ADD:0332578,-1.85,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c4cccs4)[N+](=O)[O-],0.0
63893,CO-ADD:0332209,-1.85,C1(C(OCC)=O)=C(C)NC(NC1c2cc(OC)c(cc2Br)OC)=O,0.0
63894,CO-ADD:0332617,-1.85,c12c(ccc(C(CN)O)c1)OCCO2,0.0
63895,CO-ADD:0331078,-1.85,n1(Cc2ccccc2)c3c(nc1COc(cc4)ccc4Cl)cccc3,0.0
63896,CO-ADD:0331007,-1.85,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)C(CC)c4ccccc4)cc(c(C)c3)C,0.0
63897,CO-ADD:0332560,-1.85,S(CC)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])N(CC3)CCO3,0.0
63898,CO-ADD:0331452,-1.85,c(c1N)(sc2c1cc(c3n2)CCCC3)C4=NC(Cc(cccc5)c45)(C)C,0.0
63899,CO-ADD:0323114,-1.85,N1(c2ccc(cc2)Cl)C(=O)C(N(CCC(CC(CC3C4)CC45)(C5)C3)C1=S)CC(=O)Nc(cc6)ccc6OCCC,0.0
63900,CO-ADD:0324754,-1.85,C1(=CC=CN(CC(=O)N(c2cccc(N(C)C)c2)C3(CCCCC3)C(=O)Nc4c(C)cccc4C)C1=O)[N+](=O)[O-],0.0
63901,CO-ADD:0323203,-1.85,C(=C(\Oc(cc(cc1C(O)=O)C(O)=O)c1)/C(F)(F)F)(/C(F)(C(F)(F)F)C(F)(F)F)\C(F)(C(F)(F)F)C(F)(F)F,0.0
63902,CO-ADD:0323243,-1.85,c1(C#N)c(C)c(Cl)c(nc1SCC(OC)=O)C,0.0
63903,CO-ADD:0321512,-1.85,c1(C(OCC)=O)c(Cl)nc(c(Cl)c1Nc(cc2)ccc2OC)Cl,0.0
63904,CO-ADD:0324678,-1.85,C(=O)(c(cc1)ccc1C(=O)Nc2ccccc2C(N)=O)N(C3CCCCC3)C4CCCCC4,0.0
63905,CO-ADD:0320470,-1.85,[N+](=O)([O-])c1c(ccc(Cl)c1)NCC(C)NC(=O)c2cc(OC)cc(OC)c2,0.0
63906,CO-ADD:0319445,-1.85,C(NCCOc(cc1)ccc1C)(=O)c2ccc(cc2)C,0.0
63907,CO-ADD:0320485,-1.85,c1(NC(=S)NC(=O)c2ccccc2Br)sc(c(C)c1C(OCC)=O)C,0.0
63908,CO-ADD:0318890,-1.85,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)OC(c4c(cccc4)OC5=O)=C25,0.0
63909,CO-ADD:0318690,-1.85,c1(NC(=O)C(OC)(F)C(F)(F)F)sc(c(C)c1C(OCC)=O)C(=O)Nc2cccc(Cl)c2,0.0
63910,CO-ADD:0320424,-1.85,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCN3c4cccc(Cl)c4)Nc(cc5)ccc5OC(F)(F)F,0.0
63911,CO-ADD:0318873,-1.86,c1(c2cccc(c2)CNc3ccccc3OCc4ccccc4Cl)sc(c5n1)cccc5,0.0
63912,CO-ADD:0328764,-1.86,N1=C(CSc2nc(c3ccc(cc3)C)cc(C(F)F)n2)c(c4CC1(C)C)cccc4,0.0
63913,CO-ADD:0329646,-1.86,C(=N/OCC(=O)Nc(cc1)ccc1C(OCC)=O)(/C(C)=Nc(c23)cccc2)\C(C)=N3,0.0
63914,CO-ADD:0328098,-1.86,C12(C#N)C(C1c3ccccc3Cl)(C#N)C(=NC2(OC)OC)N,0.0
63915,CO-ADD:0328898,-1.86,c1(c(O)c(C)c(c(NS(c2ccccc2)(=O)=O)c1)C)S(=O)(=O)c3ccc(cc3)Cl,0.0
63916,CO-ADD:0326657,-1.86,N1(CCc(c23)cccc2)C3CC(C4=C1CSCC4=O)=O,0.0
63917,CO-ADD:0329752,-1.86,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccs2)NC3=C1C(=O)NC(N3c4ccc(cc4)Cl)=O,0.0
63918,CO-ADD:0328066,-1.86,S(=O)(=O)(NC(CC1(C)C)CC(N1)(C)C)c2ccc(c(Cl)c2OC)Cl,0.0
63919,CO-ADD:0329282,-1.86,C(OCC)(c1ccccc1)(c2ccccc2)C(OCCCN3CCCC3)=O.Cl,0.0
63920,CO-ADD:0331118,-1.86,c(c1c(n2CC(=O)NCc3ccco3)cccc1)(C(=O)C(F)(F)F)c2,0.0
63921,CO-ADD:0331142,-1.86,c1(\C=C\c2ccccc2)n(CCOc3ccccc3)c4c(cccc4)n1,0.0
63922,CO-ADD:0331495,-1.86,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)CSC(=NN(C4=S)c5ccccc5)S4)cc(cc3)C,0.0
63923,CO-ADD:0331191,-1.86,n1(c2c(n3)cccc2)c3COCC(O)C1,0.0
63924,CO-ADD:0331459,-1.86,n1(n2)c(nc(c3ccccc3)cc1c4ccccc4)cc2C(=O)N(C)c5ccc(cc5)OC(F)(F)Cl,0.0
63925,CO-ADD:0330727,-1.86,c1(nc(SCC(=O)N(C)c2ccc(cc2)OC(F)(F)Cl)nc3C(F)(F)F)c3CCc(cccc4)c14,0.0
63926,CO-ADD:0330897,-1.86,c(CCN(Cc1ccccc1F)C(=O)Cc(ccc(c2OCC)OCC)c2)(c3c([nH]4)ccc(OC)c3)c4C,0.0
63927,CO-ADD:0136932,-1.86,Brc(cc(c(C=NN1C(CSC1=S)=O)cn2[H])c2c3)c3,0.0
63928,CO-ADD:0136737,-1.86,Clc1c(nc(c(n2[H])n1)nc2c(cc(C(F)(F)F)cc3)c3)Cl,0.0
63929,CO-ADD:0136841,-1.86,c1(c2ccccc2)c(c3ccccc3)cc(c4ccc(OC)cc4)nn1,0.0
63930,CO-ADD:0137001,-1.86,c1cc2c(c(nnc(SCc3ccccc3)n4)c4c(cccc5)c25)cc1,0.0
63931,CO-ADD:0135830,-1.86,n1ccccc1NC(=O)Nc(cccc2)c2,0.0
63932,CO-ADD:0136282,-1.86,O=C1C(C(C(OCC)=O)C(C(OCC)=O)N1C(C)C)=O,0.0
63933,CO-ADD:0136792,-1.86,O(C)C(C1=C(C)N([H])C(C)=C(C(OC)=O)C(N(C(=O)CC2)C2=O)C1)=O,0.0
63934,CO-ADD:0135818,-1.86,c1c(O)cc(C([H])=C([H])/NC([H])=O)c(O)c1,0.0
63935,CO-ADD:0136953,-1.86,Fc(ccc(NC(=O)OCCOc(ccc(c1)Br)c1)c2)c2,0.0
63936,CO-ADD:0137267,-1.86,C1C(C(C)(CC2C(OC(=O)C2=C)CC3C)C3(O)C1)=O,0.0
63937,CO-ADD:0137273,-1.86,C1=CC(=O)C2=C(C3C(C(C(C(C)CO3)CC4)C4C5)C(C5C(=O)O6)C26)C1=O,0.0
63938,CO-ADD:0135884,-1.86,n1cnc(c(cn2)c1SCCCC)n2[H],0.0
63939,CO-ADD:0136134,-1.86,c1csc(c2n([H])c(SCC=C)nn2)c1,0.0
63940,CO-ADD:0136818,-1.86,S1C(=C(C#N)/C(=O)OCC)SC(=C(C(OCC)=O)/C#N)S1,0.0
63941,CO-ADD:0136234,-1.86,N1(C)CCC(C#N)(c2cc(OC)cc(OC)c2)CC1,0.0
63942,CO-ADD:0136266,-1.86,c1(N)cc(nc(N)n1)N([H])c(ccc2Br)cc2,0.0
63943,CO-ADD:0137280,-1.87,c12c(c(ccc(OC)c3)c3[nH]1)C[C@]4([H])N(C(=O)[C@]([H])(CCC5)N5C4=O)[C@H]2C=C(/C)C,0.0
63944,CO-ADD:0137192,-1.87,c1(OC)cc(C=CC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2)ccc1O,0.0
63945,CO-ADD:0137210,-1.87,O=C([C@@](C)([C@@H](O)[C@](C(=C)C(=O)O1)([C@]12[H])[H])[C@@]3([C@H](C)C2)[H])C=C3,0.0
63946,CO-ADD:0137241,-1.87,c12c(cc(OC[C@@]([H])(c3c(c(CC=C(C)/C)c(O)cc3)O4)[C@@]45[H])c5c1OC)OC(C)(C)C=C2,0.0
63947,CO-ADD:0136411,-1.87,N(=Nc(c(C(O)=O)ccc1)c1)c2ccc(O)c(OC)c2,0.0
63948,CO-ADD:0135649,-1.87,C1(O)=NC(N([H])C(C)=C1)=N[H],0.0
63949,CO-ADD:0136086,-1.87,ClC(CCc(cc(c1n2)cc(C)n2)n13)=N3,0.0
63950,CO-ADD:0136342,-1.87,n1c(c(c(C=Cc2ccccc2Cl)cc1)ccc3)c3,0.0
63951,CO-ADD:0135707,-1.87,C12CC(CC1)C(O)C2CN(C)C,0.0
63952,CO-ADD:0137052,-1.87,N1(C(OCC)=O)c(cc(cc(OC)c(OC)c2)c23)c(c3c4OC)c(CC1)cc4OC,0.0
63953,CO-ADD:0137230,-1.87,[C@@]12([H])[C@]([H])(C(=C)C(=O)O1)CCC(C)=C/CC[C@]3(C)[C@@H]2O3,0.0
63954,CO-ADD:0137182,-1.87,C1CCC(C=CC2C3C(CCCC3)CC(C(=O)O4)C2C4C)N(C)C1C,0.0
63955,CO-ADD:0135837,-1.87,O=C1C(CO)C(CO)C(CO)C1CO,0.0
63956,CO-ADD:0135805,-1.87,Clc1nnc(O)c(C(O)=O)c1,0.0
63957,CO-ADD:0135965,-1.87,S=C(N([H])C(C)=C(CCC(OCC1)O1)C2=O)N2[H],0.0
63958,CO-ADD:0136476,-1.87,c1nccc(c2noc(c3c(Cl)cccc3)n2)c1,0.0
63959,CO-ADD:0137162,-1.87,c1c(c(c(C)cc1)N=C(N(C(=O)c2sc(c(ccc3)c2Cl)c3)C4(CCCCC4)C5=C)/S5)Cl,0.0
63960,CO-ADD:0135610,-1.87,c1(cnnc(ccc2)c1c2)S[H],0.0
63961,CO-ADD:0135706,-1.87,[H]N1C(c2ccccc2)c(c3CC1)ncn3[H],0.0
63962,CO-ADD:0136526,-1.87,n1ccc(cccc2)c2c1C=Cc(ccc3)c(OC)c3OC,0.0
63963,CO-ADD:0136654,-1.87,O=C(N([H])C(C=C1)=O)N1CC(=O)Nc2ccc(C(O)=O)c(O)c2,0.0
63964,CO-ADD:0136455,-1.87,Clc1cc(Cl)c(C(Nc2ccsn2)=O)cc1,0.0
63965,CO-ADD:0136463,-1.87,c1(C)ccc(S(NC(Nc(scc2)n2)=O)(=O)=O)cc1,0.0
63966,CO-ADD:0136691,-1.87,N1(C(=O)c(cccc2)c2)c(ccc(cccc3)c34)c4C=CC1C#N,0.0
63967,CO-ADD:0136731,-1.87,IC(C(N1[H])=O)=CC(=C1)I,0.0
63968,CO-ADD:0135572,-1.87,c1(C)ccncc1C(N)=O,0.0
63969,CO-ADD:0137045,-1.87,O=C1c2c(ccc([N+](=O)[O-])c2)c(cc(c(c3)N=C(C(F)(F)F)/NO)Br)c13,0.0
63970,CO-ADD:0136656,-1.87,O=C(N(C)c(c1C2=O)nc(CCCc(ccc([N+](=O)[O-])c3)c3)n1[H])N2C,0.0
63971,CO-ADD:0137130,-1.87,n1([H])c(CNc(ccc(C(O)=O)c2)c2)nc(ccc3)c1c3.Cl,0.0
63972,CO-ADD:0137015,-1.87,O(C)c1c(cc(Cc2n(c3ccc(F)cc3)c(SC)nn2)cc1)OC,0.0
63973,CO-ADD:0136827,-1.87,c1(C)cc(N2CCN(C)CC2)n3c(nc(c4ccc(Cl)cc4)n3)n1,0.0
63974,CO-ADD:0137079,-1.87,O=C1OCC2(C(CC(=O)C(C)(C3(C(C(=O)OC4c(coc5)c5)O3)C4(C)CC6)C26)C(C)(C)O7)C7C1,0.0
63975,CO-ADD:0137096,-1.88,O1C(c2c3cccc2)=C(C(=O)O3)C(c4ccc(OC)c(OC)c4)C=C1c(cc5OC)ccc5OC,0.0
63976,CO-ADD:0137080,-1.88,N1(C(=O)Nc(cccc2c(ccc3)cc3)c2)CCN(C(Nc(cc(c4ccccc4)cc5)c5)=O)CC1,0.0
63977,CO-ADD:0136939,-1.88,n1c(c(cc(OCC)c2)ccc1C=Cc(ccc(N(CCC)CCC)c3)c3)c2,0.0
63978,CO-ADD:0136899,-1.88,[H]N1CCCN=C1c(ccc(NC(Nc(ccc(C(N([H])CCC2)=N2)c3)c3)=O)c4)c4,0.0
63979,CO-ADD:0136732,-1.88,Clc(ccc1)c(NC(=O)Nc2ccc(Nc(cccc3)c3)cc2)c1,0.0
63980,CO-ADD:0136018,-1.88,c1(N)ccc(C(=O)C(c2ccc(N)cc2)=O)cc1,0.0
63981,CO-ADD:0136291,-1.88,Clc(ccc1C(O)=O)cc1Nc(cn2)ccc2OC,0.0
63982,CO-ADD:0136235,-1.88,[H][C@@](C[C@@H](C)CC1)(CC[C@]([C@@]2(CC3)[H])([C@](CC4)([C@@]3(C)[C@H]4O)[H])[H])[C@]12C,0.0
63983,CO-ADD:0136082,-1.88,Clc(c(ccc1N=CN(C)C)Cl)c1,0.0
63984,CO-ADD:0136734,-1.88,o1c(C(Nc2c3c(ccc2)CCCN3C(=O)c(ccc4)o4)=O)ccc1,0.0
63985,CO-ADD:0136758,-1.88,c1cc(S(c2c(non3)c3c([N+](=O)[O-])cc2)=O)ccc1C,0.0
63986,CO-ADD:0136942,-1.88,O=C(C(C)=C(O)C1=O)C(O)=C1c2c(C)c(c(C)cc2C)Br,0.0
63987,CO-ADD:0136926,-1.88,N1(C(=O)c(ccc2)cc2)C(CC(=O)c(cccc3)c3)C=Cc(ccc4)c1c4,0.0
63988,CO-ADD:0136807,-1.88,C1CCC(=NN(c2ccccc2)N(C(OC)=O)N3C(=O)OC)C3C1,0.0
63989,CO-ADD:0136283,-1.88,n1cc(OC)c(Nc(ccc(C#N)c2)c2)nc1SC,0.0
63990,CO-ADD:0136887,-1.88,Ic(ccc1[As](O)(O)=O)cc1OC,0.0
63991,CO-ADD:0136991,-1.88,Clc1cccc(c1NC(NC(=C(C)N2C)C(N2c(cccc3)c3)=O)=O)Cl,0.0
63992,CO-ADD:0135616,-1.88,C1CCCC1(C(O)=O)NC(C)=O,0.0
63993,CO-ADD:0135712,-1.88,O=C(C=C1C)N([H])C(=CN=C2)C(N2[H])=N1,0.0
63994,CO-ADD:0137049,-1.88,[H]N1c(cc(NC(=O)c2ccccc2c3ccccc3C(O)=O)cc4)c4c(cccc5)c5C1=O,0.0
63995,CO-ADD:0137153,-1.88,c1c(c(cc(OC)c1)c(C=Cc2c(c(ccc3OC)ncc2)c3)cc4)n4.O=C(O)C.O=C(O)C,0.0
63996,CO-ADD:0136188,-1.88,O=C(C(C=O)=C(C=C(C)O1)C(=C1)[C@@H]2O)[C@]2(C)O,0.0
63997,CO-ADD:0136768,-1.88,O(CCC)c1ccc(c2scc(c3ccc(N)cc3)n2)cc1,0.0
63998,CO-ADD:0136271,-1.88,Fc1ccc(cc1)N=Nc2c3c(cccc3)ccc2O,0.0
63999,CO-ADD:0136064,-1.88,n1c(c(ccc1)c(c2)Br)s2,0.0
64000,CO-ADD:0136292,-1.88,ClC(=C1Cl)C(C(O)=C(C2=O)Cl)(C12Cl)Cl,0.0
64001,CO-ADD:0137102,-1.88,O(Cc1ccccc1)C(NC(CC(C)C)C(NC(C(O)=O)Cc2c3c(cccc3)n([H])c2)=O)=O,0.0
64002,CO-ADD:0136080,-1.88,n1cnc(c(C(OCC)=O)cn2)n2c1SC,0.0
64003,CO-ADD:0136557,-1.88,c1c(C)cc(c(ccc(C(=O)C=CC2=O)c23)c3n4C)c4c1,0.0
64004,CO-ADD:0137126,-1.88,O=C(C(C)=CC=C/C(C)C(O)C(C)C(O)C(C(=O)OC)C(O)C(C)C(O)C(C)(O)C=C(/C)C1=C(c(c(OC(C)=O)c(C)c2c3O)c3C4=O)C(=C4C)OCO1)N2[H],0.0
64005,CO-ADD:0137054,-1.89,O(c1ccc(Nc(c([N+](=O)[O-])cc([N+](=O)[O-])c2)c2)cc1)c(c([N+](=O)[O-])cc([N+](=O)[O-])c3)c3,0.0
64006,CO-ADD:0135590,-1.89,C(NC(N)=S)(c1ccccc1)=O,0.0
64007,CO-ADD:0136589,-1.89,O1CC(CC)C(CCC)OC1c(cc(c2c3)OCO2)c3Cl,0.0
64008,CO-ADD:0136884,-1.89,C(C(NC(C)=O)(C(OCC)=O)C(=O)OCC)CCCCCCCCCCC,0.0
64009,CO-ADD:0136837,-1.89,c1cc2c(C(=Nc3ccc(S(NC(N)=N)(=O)=O)cc3)C(N2)=O)cc1,0.0
64010,CO-ADD:0136997,-1.89,N1=C(SC)N([H])C(N)=C(C1=O)N=Nc(ccc([As](O)(O)=O)c2)c2,0.0
64011,CO-ADD:0137005,-1.89,N1(c(nc(nnc2c3ccccc3)n2c4N5CCCCC5)n4)CCCCC1,0.0
64012,CO-ADD:0136597,-1.89,c1c2c(cc(C(Nc(cc([N+](=O)[O-])c3)cc3)=O)c1O)cccc2,0.0
64013,CO-ADD:0136700,-1.89,O1C(n2cc(C(N)=S)c(c(N)n3)c2nc3)C(O)C(O)C1CO,0.0
64014,CO-ADD:0136874,-1.89,N1(c2c3c(ccc2)cc(S(O)(=O)=O)cc3)C(=S)N([H])C(C)(C)C=C1C,0.0
64015,CO-ADD:0135736,-1.89,n1cc(c2ccccc2)sc1CO,0.0
64016,CO-ADD:0135768,-1.89,n1([H])c2c(ccc(ccc(O)c3)c23)nc1,0.0
64017,CO-ADD:0135976,-1.89,c1ccc(N([H])C(=O)N2C(CCN([H])C3)=C3)c2c1,0.0
64018,CO-ADD:0135785,-1.89,c1ccc(n2c(ccc2)C(=S)N3[H])c3c1,0.0
64019,CO-ADD:0135793,-1.89,C1=CN([H])C(C)=C(OC(NC)=O)C1=O,0.0
64020,CO-ADD:0136665,-1.89,CC12C(O1)CCC(=CC(OC(=O)C)C(C(C(=O)O3)=C)C3C2)C,0.0
64021,CO-ADD:0136673,-1.89,ClC1=C(C(=Cc(ccc(C)c2)c2)C(=C1Cl)Cl)Cl,0.0
64022,CO-ADD:0136962,-1.89,O(C)c1ccc(c2c(C(C(C#N)=CN2[H])=O)c(C(OCC)=O)c3)c3c1OC,0.0
64023,CO-ADD:0135875,-1.89,n1nn(c2ccc(C)cc2)c(c(c3)cccn3)n1,0.0
64024,CO-ADD:0135971,-1.89,Clc(cc1)cc(N(CCF)CCF)c1,0.0
64025,CO-ADD:0136681,-1.89,N1(CCOC(C)=O)C(C(C(N([H])C2=O)=O)=Nc(cc(C)c3C)c1c3)=N2,0.0
64026,CO-ADD:0136514,-1.89,n1c(CN2C(C=CC(O)=O)=O)c(cc3c1cccc3)C2,0.0
64027,CO-ADD:0136554,-1.89,c1c2c(n(C)c(c(C(C=CC3=O)=O)c3cc4)c24)ccc1OC,0.0
64028,CO-ADD:0135923,-1.89,n1ccccc1C(Nc(cccc2)c2)=S,0.0
64029,CO-ADD:0136011,-1.89,O1C(CN(CC(O)=O)C)=C(O)C(C=C1CO)=O,0.0
64030,CO-ADD:0135804,-1.89,c1(N)nn(C(=O)C(C)=NN2[H])c2n1,0.0
64031,CO-ADD:0136532,-1.89,c1c(C#N)c2n(ccn2C(C(O)C(O)C3CO)O3)n1,0.0
64032,CO-ADD:0136556,-1.89,c1cc(n(C)c(c(C(C=CC2=O)=O)c2cc3)c34)c4c(C)c1,0.0
64033,CO-ADD:0136039,-1.89,N1([H])C(NC(N(C)C)=N)=NC(C(C)=C1C)=O,0.0
64035,CO-ADD:0243063,-1.9,c1(c(OC)c(OC)c(c2c1Br)OCO2)C(ON=C3C(=O)N\N=C\c(cc4)ccc4F)C3C,0.0
64036,CO-ADD:0243568,-1.9,c(OCO1)(c(OC)cc2c(nc(CCl)o3)n3)c1c2,0.0
64037,CO-ADD:0137207,-1.9,n1([H])c(cccc2)c2c(c1[C@@](C[C@]3([C@@](CC[C@H](O)[C@@H]3C(=O)OC)(C4)[H])[H])(N45)[H])CC5,0.0
64038,CO-ADD:0137226,-1.9,O1C=CC(OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)C(O)[C@@H](C)C=CC=C(C)/C(Nc(cc(O)c(c(C(=O)[C@@]12C)c(c3C)O2)c4c3O)c4O)=O.[Na+],0.0
64039,CO-ADD:0137202,-1.9,[H][C@@](CCC1)(Cc2c(c(ccc(OC)c3OC)c3c(c2c4)cc(OC)c4OC)C5)N15,0.0
64040,CO-ADD:0243872,-1.9,c(OC)(c(C(O)C)c1Br)c(OCO2)c2c1OC,0.0
64041,CO-ADD:0243920,-1.9,C(C)(=C1)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)NCCc(cc4)ccc4OC)=C1O,0.0
64043,CO-ADD:0243157,-1.9,c1(c(OC)c2c(c(OC)c1Br)OCO2)C(ON=C3C(=O)N\N=C\c(ccc4F)cc4)C3C,0.0
64044,CO-ADD:0243582,-1.9,c(OCO1)(c1c2OC)c(OC)c(C(c3ccc(Br)cc3)=NC4C)c2C4,0.0
64045,CO-ADD:0243878,-1.9,c(cc1)(OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)NCc(cc4Cl)ccc4Cl)=C5O)c5cc1,0.0
64047,CO-ADD:0243918,-1.9,C(C)(=C1)OC(=O)C(C(c(c(OC)c2c3OCO2)cc3OC)CC(=O)NCCc4nc[nH]c4)=C1O,0.0
64048,CO-ADD:0243585,-1.9,CC(C)(C)n(nc1)c(N=C(C2C3c(c4)cc(c5c4OC)OCO5)NC(N2c6cc(OC)ccc6)=O)c13,0.0
64049,CO-ADD:0243009,-1.9,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCc4cccc(Cl)c4)O3)OC.Cl,0.0
64050,CO-ADD:0243006,-1.9,C1(C(N)=O)=NOC(c(cc2OC)cc(c23)OCO3)C1C,0.0
64051,CO-ADD:0243062,-1.9,c1(c(OC)c(OC)c(c2c1Br)OCO2)C(ON=C3C(=O)N\N=C\c4cccc(F)c4)C3C,0.0
64052,CO-ADD:0243631,-1.9,c(OC)(cc1NC(=O)Nc(c2)cc(OC)c3c2OCO3)c(OCO4)c4c1,0.0
64053,CO-ADD:0243051,-1.9,c1(c(OC)c2c(OCO2)c(OC)c1Br)C(ON=C3C(=O)N\N=C\c4ccccc4F)C3C,0.0
64054,CO-ADD:0243876,-1.9,C1=C(C)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)Nc(cc4OC)cc(OC)c4OC)=C1O,0.0
64055,CO-ADD:0243892,-1.9,C(CC(c(cc(OC1)c2O1)cc2OC)C(=C3CC(=O)OCC)C(=O)NN3)(=O)N,0.0
64056,CO-ADD:0243900,-1.9,C(C(=O)N1)(C(c(c2OC)cc(OC)c(OCO3)c23)CC(NCc4cc(Cl)c(Cl)cc4)=O)=C(O)C(C(=O)OCC)=C1,0.0
64057,CO-ADD:0243908,-1.9,C(C(NC=C1C(OCC)=O)=O)(C(c2cc3c(OCO3)c(OC)c2)CC(NCCc(ccc4F)cc4)=O)=C1O,0.0
64058,CO-ADD:0243004,-1.9,c1(OC)c(OC)c(\C=N\O)cc(OCO2)c12,0.0
64059,CO-ADD:0243365,-1.9,c(OC1)(c(OC)cc2\C(\N)=N\O)c(O1)c2OC,0.0
64060,CO-ADD:0243363,-1.9,s1c(NCC)nc2c1C(c3cc(OC)c(OCO4)c4c3)CC(N2)=O,0.0
64061,CO-ADD:0243901,-1.9,C(C(=O)N1)(C(c(c2OC)cc(OC)c(OCO3)c23)CC(NCc4ccc(OC)cc4)=O)=C(O)C(C(=O)OCC)=C1,0.0
64062,CO-ADD:0243613,-1.9,C(c(cc(c(O1)c2)OC1)c2N3)(c(cc(OCO4)c4c5OC)c5OC)C(=C3C6)C(O6)=O,0.0
64063,CO-ADD:0243101,-1.9,c(\C=N\NC(c(cccc1[N+](=O)[O-])c1)=O)(c2OC)c(CCC)c(OC)c(OCO3)c23,0.0
64064,CO-ADD:0243447,-1.9,c(C1c2c(OC)c(OC)c3c(OCO3)c2)(c(NC(C1)=O)c4C(O)=O)n(c5cc(Cl)ccc5)c4,0.0
64065,CO-ADD:0243124,-1.9,c1(c(OCO1)c2\C=N\NC(c(cc3)ccn3)=O)c(OC)c(c2CC(C4)ON=C4C(OCC)=O)OC,0.0
64066,CO-ADD:0243922,-1.9,c(cccc1)(c12)OC(=O)C(C(c(c(OC)c(OCO3)c34)cc4OC)CC(=O)NCCc(cc5)ccc5O)=C2O,0.0
64067,CO-ADD:0243923,-1.9,c(cccc1)(c12)OC(=O)C(C(c(c(OC)c(OCO3)c34)cc4OC)CC(=O)NCCc(cc5)ccc5F)=C2O,0.0
64069,CO-ADD:0243851,-1.91,C1=C(C)OC(=O)C(C(c(cc2c3OCO2)cc3OC)CC(=O)Nc(cc4)ccc4C(F)(F)F)=C1O,0.0
64070,CO-ADD:0243208,-1.91,c(OC1)(c(OC)cc2\C=C\C(N3CCOCC3)=O)c(O1)c2OC,0.0
64071,CO-ADD:0243099,-1.91,c(\C=N\NC(c(ccc([N+](=O)[O-])c1)c1)=O)(c2OC)c(CCC)c(OC)c(OCO3)c23,0.0
64072,CO-ADD:0243353,-1.91,c1(c2)c([nH]n2)NC(CSC1c(cc(c3c4OC)OCO3)c4OC)=O,0.0
64073,CO-ADD:0243769,-1.91,n(ccn1CCCN(C(=O)C(O)=C2C(=O)c3cc4c(OCCO4)cc3)C2c(cc(OC)c5c6OCO5)c6OC)c1,0.0
64074,CO-ADD:0243674,-1.91,N1C(=O)CC(c2cc(OC)c(OCO3)c3c2)c(c4)c1n(Cc(c5)occ5)n4,0.0
64077,CO-ADD:0236934,-1.91,O=C(C1=CC(OC)=C(OC)C=C1CC/2)C2=CC3=CC=CO3,0.0
64078,CO-ADD:0236937,-1.91,O=C(C1=CC=C(OC)C=C1CC/2)C2=CC3=CC=CC=N3,0.0
64079,CO-ADD:0243848,-1.91,C1=C(C)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)Nc(cc4)ccc4OC)=C1O,0.0
64081,CO-ADD:0243432,-1.91,c(OC1)(c(OC)c(CC#N)c2)c(O1)c2OC,0.0
64082,CO-ADD:0243360,-1.91,C(C(=C(N)SC(N)=C1C#N)C1c(c(OC)c2OC)cc(O3)c2OC3)#N,0.0
64083,CO-ADD:0243694,-1.91,N(CCO1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3cc(OC)ccc3)C2c4cc(OCO5)c5c(OC)c4,0.0
64084,CO-ADD:0243523,-1.91,C12=C(C(CC(=O)N1c3cccc(Cl)c3)c(cc4OC)cc(c45)OCO5)SC(=O)N2C,0.0
64085,CO-ADD:0243340,-1.91,c1c(C(F)(F)F)cc(n(c(c2C3c(cc(OCO4)c45)c(OC)c5OC)NC(=O)C3)cn2)cc1,0.0
64086,CO-ADD:0243348,-1.91,C(/C(=O)c(c(OC)c1)cc(OC)c1)=C\c(c(OC)c2OC)cc(OCO3)c23,0.0
64087,CO-ADD:0244006,-1.91,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(CCCCCN)=O,0.0
64088,CO-ADD:0244014,-1.91,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(CCC(=O)Oc6ccc(CCO[N+]([O-])=O)cc6)=O,0.0
64089,CO-ADD:0243663,-1.91,c(cc1O)(Oc2c(c(N)c(C#N)c(N)n2)C3c(cc4OC)c(OC)c(OC)c4OC)c3cc1,0.0
64090,CO-ADD:0243327,-1.91,C(=C(/[N+](=O)[O-])\C)/c(c1)cc(OC)c2c1OCO2,0.0
64091,CO-ADD:0243530,-1.91,c1(c(ns2)c3ccc(cc3)OC)c2C(CC(=O)N1)c(c(OC)c(OC)c(c45)OCO4)c5,0.0
64093,CO-ADD:0243299,-1.91,C(/C#N)(\C(OC)=O)=C\c(cc1OC)cc(c12)OCO2,0.0
64094,CO-ADD:0243190,-1.91,c1(Br)ccc(\C=N\NC(C2=NOC(c(c(Br)c3OC)c(Br)c(OCO4)c34)C2C)=O)cc1,0.0
64095,CO-ADD:0243174,-1.91,c1(c2OC)c(OCO1)c(c(C=O)c2CC(C3)ON=C3C(OCC)=O)OC,0.0
64097,CO-ADD:0243207,-1.91,c(OC1)(c(OC)c(OC)c2\C=C\C(=O)NC(CCC)CCC)c(O1)c2,0.0
64098,CO-ADD:0220375,-1.91,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(CNc2cccc(C)c2)=O,0.0
64099,CO-ADD:0220769,-1.91,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(CNc3ccccc3C)=O,0.0
64100,CO-ADD:0222082,-1.91,C12C3C=CC(C(C(O)=O)C3C(=O)Nc(cc4)ccc4C(OC)=O)C1C2,0.0
64101,CO-ADD:0222068,-1.91,N1(CN2CCCCC2)C(=O)\C(\SC1=S)=C\c3cccs3,0.0
64102,CO-ADD:0221840,-1.91,c1(C#N)c(c2ccccc2)cc(nc1SCC(OCc3ccccc3)=O)c4ccc(cc4)OC,0.0
64103,CO-ADD:0218954,-1.91,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(=O)C(c2ccccc2)c3ccccc3,0.0
64104,CO-ADD:0220382,-1.91,c1(O)c(OCC)cc(cc1Br)\C=N\NC(CNc2cccc(C)c2)=O,0.0
64105,CO-ADD:0222084,-1.91,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2ccc(cc2C)C,0.0
64106,CO-ADD:0222081,-1.91,N1(c2ccc(cc2)F)C(=O)C(C(CC=C3)C1=O)C3,0.0
64107,CO-ADD:0220560,-1.91,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)\C(=C\c2ccccc2O)\NC(c3ccccc3)=O,0.0
64108,CO-ADD:0231474,-1.91,c1(c(Br)cc(cc1\C=N\NC(=O)c(ccc(c23)OCCO2)c3)Br)OC(=O)c4cccc(Br)c4,0.0
64109,CO-ADD:0236713,-1.92,[n+]1(c2ccccc2Br)noc([O-])n1,0.0
64110,CO-ADD:0234856,-1.92,[N+](=O)([O-])c1ccc(c(C)c1)\N=C\c(cc2)ccc2C#Cc3ccccc3,0.0
64111,CO-ADD:0234531,-1.92,c1(nc(cccc2)c2c3NC(CCl)=O)c3CCN1c4ccccc4,0.0
64112,CO-ADD:0236813,-1.92,N1(c2cccc(Cl)c2C)C(=O)C(C(C(C34)C(=C5c6ccccc6)C(C=C3)C(C4C7=O)C(N7c8cccc(Cl)c8C)=O)C1=O)C5,0.0
64113,CO-ADD:0230987,-1.92,c1(NC(CSc2nc(C)cc(C)n2)=O)sc3c(ccc(C)c3)n1,0.0
64114,CO-ADD:0233402,-1.92,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(ccc(c4Cl)Cl)c4,0.0
64115,CO-ADD:0233035,-1.92,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(cc3)ccc3Cl)n2)N4CCCC4.Br,0.0
64116,CO-ADD:0234685,-1.92,c1(oc(c2n1)cccc2)c3cc(ccc3O)\N=C\c(cc(Br)cc4Cl)c4O,0.0
64117,CO-ADD:0234896,-1.92,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c3cc(C)ccc3O,0.0
64118,CO-ADD:0234888,-1.92,c1(c2ccccc2C)oc(c3n1)ccc(c3)NC(=O)c4ccc(cc4)Cl,0.0
64119,CO-ADD:0234910,-1.92,c1(OCC(=O)N\N=C\c(cc2)ccc2OCC=C)c(Br)cc(cc1Br)OC,0.0
64120,CO-ADD:0229781,-1.92,n1(c2cccc(cccc3)c23)nnnc1SCC(=O)Nc4ccccc4[N+](=O)[O-],0.0
64121,CO-ADD:0234355,-1.92,c1(NC(C)=O)sc(c2c1C(OCC)=O)CCCC2,0.0
64122,CO-ADD:0234451,-1.92,c1(N(c2ccccc2)c3ccccc3)nc(NNC(C)=O)nc(OC(C(F)(F)F)C(F)(F)F)n1,0.0
64123,CO-ADD:0236324,-1.92,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCc(cc3)ccc3Br)c4ccccc4,0.0
64124,CO-ADD:0233156,-1.92,S(=O)(=O)(CCC(O)=O)c1ccc(c2c1)cccc2,0.0
64125,CO-ADD:0231649,-1.92,c1([nH]c(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
64126,CO-ADD:0233770,-1.92,N1(CCC[C@@H](C1)c(ccn2)o2)C([C@H](CCSC)N)=O.Cl,0.0
64127,CO-ADD:0234389,-1.92,c12c(nccn1)c3c(OC2=O)cccc3,0.0
64128,CO-ADD:0236132,-1.92,N1(c2ccc(cc2)OCCCCCC)C(=O)C(CC1=O)S\C(\N)=N/c3ccccc3,0.0
64129,CO-ADD:0231261,-1.92,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc(ccc(c3C)C)c3,0.0
64130,CO-ADD:0227222,-1.92,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c2ccccc2Cl,0.0
64131,CO-ADD:0228006,-1.92,c(\C=N/NC(CNc(cc1)ccc1Cl)=O)(c2c([nH]3)cccc2)c3,0.0
64132,CO-ADD:0227158,-1.92,C(=O)(Oc(cc1)ccc1\C=N/NC(COc2ccc(cc2Cl)Br)=O)c3ccccc3Cl,0.0
64133,CO-ADD:0227166,-1.92,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc2cccc(Cl)c2,0.0
64134,CO-ADD:0225397,-1.92,c12n(ccn(c(nn3)CCC(=O)N(CC4)CCN4C(OCC)=O)c13)nc(c5ccccc5)c2,0.0
64135,CO-ADD:0226926,-1.92,C1(=N2)N(c3c(cccc3)N=C1Sc4ccccc4)C(N2CC(=O)Nc5c(OC)ccc(OC)c5)=O,0.0
64136,CO-ADD:0226128,-1.92,S(=O)(=O)(N(Cc1ccccc1F)c2ccc(c(F)c2)F)c3cccn(cnn4)c34,0.0
64137,CO-ADD:0225408,-1.93,C1(=N2)N(C=Cn(nc(c3ccc(cc3)F)c4)c14)C(N2CC(=O)Nc(cc5)ccc5C(OC)=O)=O,0.0
64138,CO-ADD:0221575,-1.93,c1([N+](=O)[O-])cc(n(CC(=O)Nc2ccccn2)n1)C,0.0
64139,CO-ADD:0221278,-1.93,c1(CS(c2ccccc2)(=O)=O)n(C)c3c(cc(c(Br)c3)O)c1C(OCC)=O,0.0
64140,CO-ADD:0221333,-1.93,S(=O)(=O)(N(CCC#N)CCc1ccccc1)c2cccc(nsn3)c23,0.0
64141,CO-ADD:0219079,-1.93,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c(cc2)ccc2NC(=O)c3ccccc3C,0.0
64142,CO-ADD:0221395,-1.93,C1=C(NCCCCCCCC\C=C/CCCCCCCC)CC(C)(C)CC1=O,0.0
64143,CO-ADD:0221598,-1.93,c1(nn(cn1)CC(=O)Nc(cc2)ccc2C(C)=O)[N+](=O)[O-],0.0
64144,CO-ADD:0222677,-1.93,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc2ccccc2Br,0.0
64145,CO-ADD:0222550,-1.93,c1(Br)c(O)c(cc(Br)c1O)\C=N\c2c(C)cccc2O,0.0
64146,CO-ADD:0222660,-1.93,C(/C1=O)(=C/c2c(cccc2Cl)Cl)\C(c3ccc(cc3)Cl)=NO1,0.0
64147,CO-ADD:0222758,-1.93,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(cc2)ccc2O,0.0
64148,CO-ADD:0219707,-1.93,C(CCCCCCCC(NCCCC(O)=O)=O)(NCCCC(O)=O)=O,0.0
64149,CO-ADD:0219509,-1.93,c1(O)c(Br)c(\C=N\NC(COc2cccc(Br)c2)=O)cc(Br)c1O,0.0
64150,CO-ADD:0218923,-1.93,N(c1ccccc1Br)C(CCC(=O)N\N=C\c(cc2)ccc2Br)=O,0.0
64151,CO-ADD:0220709,-1.93,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3ccco3,0.0
64152,CO-ADD:0220577,-1.93,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CNc2ccccc2C)=O,0.0
64153,CO-ADD:0220652,-1.93,c1(\C=N\NC(=O)c2ccccc2Br)c(Br)cc(c(O)c1Br)Br,0.0
64154,CO-ADD:0222565,-1.93,C(=O)(Nc(cc1)ccc1OCCCCC)C(NCCC(C)C)=O,0.0
64155,CO-ADD:0221847,-1.93,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)Nc(cc3)ccc3Br)c4cccc(Br)c4,0.0
64156,CO-ADD:0219733,-1.93,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CCC(=O)Nc2cccc(Br)c2)=O,0.0
64157,CO-ADD:0219708,-1.93,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c2cccc(Br)c2,0.0
64158,CO-ADD:0230923,-1.93,c12n(c(nn1)SCCSCCCC)ncn2N,0.0
64159,CO-ADD:0229597,-1.93,c1(nc(c2ccccc2)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c(C)c4C(OCC)=O)C(OCC)=O)c1Cl,0.0
64160,CO-ADD:0231616,-1.93,n1c2c(oc1c3cccc(c3)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-])ccc(Cl)c2,0.0
64161,CO-ADD:0236737,-1.93,n1(nc(s2)SCC(=O)Nc3sccn3)c2nnc1SCC(=O)Nc4sccn4,0.0
64162,CO-ADD:0232898,-1.93,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)NCc(cc3)ccc3OC,0.0
64163,CO-ADD:0230899,-1.93,C1(C#N)(C#N)[C@H](c(cc2OC)cc(c2OC)OC)[C@H](N3[C@]1([H])C=Cc4c3ccc(cccc5)c45)C(c6ccccc6)=O,0.0
64164,CO-ADD:0233071,-1.93,S(=O)(=O)(c1ccc(cc1)C)Nc2c(C)cc(nc2Cl)C,0.0
64165,CO-ADD:0232838,-1.93,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)Nc3cccc(OC)c3,0.0
64166,CO-ADD:0233044,-1.93,N1(c2ccccc2c3ccccc3)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5ccc(cc5C(O)=O)Br,0.0
64167,CO-ADD:0233499,-1.93,N(\C(=C/c(ccc(c12)cccc1)c2)\C(O3)=O)=C3c(cc4)ccc4C(C)(C)C,0.0
64168,CO-ADD:0236133,-1.94,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
64169,CO-ADD:0234303,-1.94,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(COc(cc3)c(Br)cc3[N+](=O)[O-])=O)[N+](=O)[O-],0.0
64170,CO-ADD:0231614,-1.94,c1(Nc2ccccc2)nc(N\N=C\c3cccc(I)c3)nc(NCc4ccccc4)n1,0.0
64171,CO-ADD:0233596,-1.94,c(c1)(c(N(C)C)cc(OC)c1C(=O)NC(C)(C)CO)[N+](=O)[O-],0.0
64172,CO-ADD:0233129,-1.94,c1(c2ccccc2)nonc1c3ccccc3,0.0
64173,CO-ADD:0229840,-1.94,N1(c2c(C)ccc(c2)[N+](=O)[O-])C(=O)c(c(c3)C1=O)cc(c3C(N4c5c(C)ccc(c5)[N+](=O)[O-])=O)C4=O,0.0
64174,CO-ADD:0236058,-1.94,C12(CCC1)CC2C(=O)N\N=C\c3cccc(OC)c3O,0.0
64175,CO-ADD:0233673,-1.94,S(c(cc1)ccc1O)c(cc2)ccc2O,0.0
64176,CO-ADD:0234107,-1.94,c1(c2)c(cc(OC)c2NC(=O)c3cccs3)c4c(cccc4)o1,0.0
64177,CO-ADD:0236526,-1.94,C(=N\N=C\c1ccccc1[N+](=O)[O-])(/c2c(N3)cccc2)\C3=O,0.0
64178,CO-ADD:0233186,-1.94,N1(c2c(C)cccc2C)C(C)=Nc(c3C1=O)cccc3,0.0
64179,CO-ADD:0227611,-1.94,c1(c(ccc(c2Cl)F)c2)ccc(C([H])=O)o1,0.0
64180,CO-ADD:0231300,-1.94,C(=O)(Oc(cc1)ccc1\C=N\c2ccc(cc2C)C)c3cccc(cccc4)c34,0.0
64181,CO-ADD:0229609,-1.94,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)Cl,0.0
64182,CO-ADD:0227851,-1.94,c1(C#N)c(C)c(sc1\N=C\c2cccc(CC=C)c2O)C,0.0
64183,CO-ADD:0227264,-1.94,C(C1(C)C)(C[C@@H](S(O)\N=C\c(cccc2)c2O)[C@@](O)(C)C3)C13,0.0
64184,CO-ADD:0229713,-1.94,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3ccccc3F,0.0
64185,CO-ADD:0226889,-1.94,c12n(c3c(cccc3)nc1SCC(=O)Nc(cccc4C(C)=O)c4)c(nn2)CC,0.0
64186,CO-ADD:0225785,-1.94,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc(cc4)ccc4C(C)=O)=O,0.0
64187,CO-ADD:0226139,-1.94,S(=O)(=O)(N(c(cc1)ccc1C(C)C)Cc2ccccc2C)c3cccn(c(nn4)CC)c34,0.0
64188,CO-ADD:0226916,-1.94,n(c1c(cccc1)nc2SCC(=O)Nc3ccc(cc3F)F)(c(C(C)C)nn4)c24,0.0
64189,CO-ADD:0221570,-1.94,[C@]1(C#N)(C#N)[C@H](c2ccc(cc2)C)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(c5ccccc5)=O,0.0
64190,CO-ADD:0221119,-1.94,c1(C(NC)=O)ncn(CC)c1C(NC)=O,0.0
64191,CO-ADD:0221532,-1.94,N1(Cc2ccccc2)C(=O)c(c3)c(c(c4)C1=O)c(cc3[N+](=O)[O-])cc4[N+](=O)[O-],0.0
64192,CO-ADD:0221417,-1.94,C(=O)(Nc(cccc1NC(=O)c2ccco2)c1)c3ccccc3Cl,0.0
64193,CO-ADD:0221402,-1.94,c12c(ccc(OC)c1OC)C(OC2=O)CC(=O)c3ccc(cc3)OC,0.0
64194,CO-ADD:0221323,-1.94,N1(c2ccc(cc2Cl)Cl)C(=O)CC(N(CC3)CCN3c4cccc(Cl)c4)C1=O,0.0
64195,CO-ADD:0222640,-1.94,[N+](=O)([O-])c1cc(ccc1OC(=O)\C=C\c(cc2)ccc2Br)\C=N\CCc3ccccc3,0.0
64196,CO-ADD:0222674,-1.94,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc(cc4)ccc4C(C)C,0.0
64197,CO-ADD:0222141,-1.94,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c(cc5)ccc5Cl,0.0
64198,CO-ADD:0222691,-1.94,[N+](=O)([O-])c(cc1)ccc1c2ccc(cc2)NC(CCc3ccccc3)=O,0.0
64199,CO-ADD:0222214,-1.94,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
64200,CO-ADD:0222287,-1.95,C(=N\NC(CNC(=O)c1ccccc1Br)=O)(/C2=O)\c3c(N2)ccc(c3)[N+](=O)[O-],0.0
64201,CO-ADD:0221001,-1.95,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2ccccc2,0.0
64202,CO-ADD:0220157,-1.95,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3cccc(Cl)c3)=O)o1,0.0
64203,CO-ADD:0220143,-1.95,C(CNc(cc1)ccc1C)(=O)N\N=C\C=C\C=C\c2ccccc2,0.0
64204,CO-ADD:0220140,-1.95,C(CNc(cc1)ccc1C)(=O)N\N=C\c2ccccc2\C=N\NC(CNc(cc3)ccc3C)=O,0.0
64205,CO-ADD:0219219,-1.95,N(=C(/C)\c1ccccc1)/NC(=O)c2ccc(cc2)OCCCCCCCCCC,0.0
64206,CO-ADD:0220603,-1.95,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)c3ccccc3Cl,0.0
64207,CO-ADD:0220408,-1.95,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c2ccccc2O,0.0
64208,CO-ADD:0234166,-1.95,c1(c(O)c(\C=N\c(ccc(c2Cl)OC)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
64209,CO-ADD:0232942,-1.95,c1(c2)c(cc(OC)c2NC(=O)C\C(\C)=N\NC(COc(cc3)ccc3Br)=O)c4c(cccc4)o1,0.0
64210,CO-ADD:0234533,-1.95,C(CC(COCCC(C)C)O)(C(NN)=O)C(NN)=O,0.0
64211,CO-ADD:0234946,-1.95,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(ccc2c3ccc(cc3Cl)Cl)o2)[N+](=O)[O-])[N+](=O)[O-],0.0
64212,CO-ADD:0234671,-1.95,c1(oc(c2n1)ccc(c2)\N=C\c3cc(C)ccc3O)c4c(O)cc(c5c4)cccc5,0.0
64213,CO-ADD:0237095,-1.95,CCOC(=O)c1cc(on1)c2csc(Nc3c(C)cc(C)cc3C)n2,0.0
64214,CO-ADD:0232828,-1.95,o1c(S)nnc1c2ccc(cc2)NC(NCCO)=S,0.0
64215,CO-ADD:0233651,-1.95,c(cc(Br)cc1Cl)(\C=N\c(cc2)c(OC)cc2c3ccc(c(OC)c3)\N=C\c(cc(Br)cc4Cl)c4O)c1O,0.0
64216,CO-ADD:0227444,-1.95,C(CNc1cccc(cccc2)c12)(=O)N\N=C\C(\C)=C\c(cc3)ccc3\C=C(/C)\C=N\NC(CNc4cccc(cccc5)c45)=O,0.0
64217,CO-ADD:0234678,-1.95,c(cc(Br)cc1Cl)(\C=N\c2ccc(cc2C)C)c1O,0.0
64218,CO-ADD:0234459,-1.95,N1(c2ccc(cc2)F)C(=O)C(C3C1=O)C(c4ccccc4)C=CC3c5ccccc5,0.0
64219,CO-ADD:0234776,-1.95,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)CC)SC(=NN2c6cccc(Cl)c6C)C(C)=O,0.0
64220,CO-ADD:0236318,-1.95,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCc(cc3)ccc3OC)c4ccccc4,0.0
64221,CO-ADD:0236311,-1.95,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
64222,CO-ADD:0236261,-1.95,C1(Cc(cc2)ccc2[N+](=O)[O-])(Cc(cc3)ccc3[N+](=O)[O-])C(=O)OC(OC1=O)(C)C,0.0
64223,CO-ADD:0227603,-1.95,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C/c(cc(Br)c(c4Br)O)c4O,0.0
64224,CO-ADD:0231289,-1.95,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(=O)c3cccc(O)c3,0.0
64225,CO-ADD:0227561,-1.96,c1(c(O)ccc(cccc2)c12)\C=N\c3cc(CC)ccc3O,0.0
64226,CO-ADD:0227552,-1.96,c1(c(Br)cc(cc1\C=N\NC(COc2cc(C)ccc2C(C)C)=O)Br)OC(c3ccccc3)=O,0.0
64227,CO-ADD:0231282,-1.96,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)NCc3ccccc3,0.0
64228,CO-ADD:0231211,-1.96,S(=O)(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2c(O)cc(c3c2)cccc3)c(ccc(c4[N+](=O)[O-])C)c4,0.0
64229,CO-ADD:0229686,-1.96,c1(NCC(=O)N\N=C(/CCC)\CCC)c(Br)cc(cc1Br)Br,0.0
64230,CO-ADD:0228007,-1.96,[N+](=O)([O-])c1ccc(cc1)\N=C\c(cc2)ccc2C#Cc3ccccc3,0.0
64231,CO-ADD:0227420,-1.96,c1(NCC(=O)N\N=C\c2cccc(OC)c2)c(Br)cc(cc1Br)Br,0.0
64232,CO-ADD:0231699,-1.96,c1(OCC(=O)N\N=C\c2ccccc2O)c(OC)cc(cc1Br)Br,0.0
64233,CO-ADD:0231723,-1.96,c1(OCC(=O)N\N=C\c(ccc(c2Br)OC)c2)c(OC)cc(cc1Br)Br,0.0
64234,CO-ADD:0227350,-1.96,c(\C=N\NC(CNc1cccc(cccc2)c12)=O)(cc(Br)cc3Br)c3OC,0.0
64235,CO-ADD:0225803,-1.96,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4ccccc4C)=O,0.0
64236,CO-ADD:0226225,-1.96,S(=O)(=O)(N(Cc(cc1)ccc1OC)c2ccc(cc2)OC)c(ccc3n4c(C)nn3)c4,0.0
64237,CO-ADD:0225857,-1.96,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)N(CC4)CCN4c5ccccc5)=O,0.0
64238,CO-ADD:0225390,-1.96,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc(ccc(c5Cl)OC)c5,0.0
64239,CO-ADD:0221291,-1.96,c1(S(CC)(=O)=O)c(C(c2ccccc2)=O)n(c3c1S(CC)(=O)=O)cccc3C,0.0
64240,CO-ADD:0221397,-1.96,c1(Sc(cc(cc2[N+](=O)[O-])NC(=O)c(ccc(c3F)F)c3)c2)sc(c4n1)cccc4,0.0
64241,CO-ADD:0221458,-1.96,[N+](=O)([O-])c(cc1)cc(c1NC(=O)c2ccc(cc2)I)C,0.0
64242,CO-ADD:0219023,-1.96,C(/c1c(N2)cccc1)(=N/c3c(C)cc(cc3C)C)\C2=O,0.0
64243,CO-ADD:0221584,-1.96,N1(OC(N(c2ccc(cc2)Cl)C1=O)=O)C3C(C)(C)SC(=S)N3CCCC,0.0
64244,CO-ADD:0220175,-1.96,C(=O)(OCC(C)C)c1ccc(cc1)NC(CCCCCCC)=O,0.0
64245,CO-ADD:0220024,-1.96,N#Cc(cc1)ccc1\C=N\NC(Cc2ccccc2)=O,0.0
64246,CO-ADD:0220239,-1.96,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c4cc(OC)ccc4O,0.0
64247,CO-ADD:0220901,-1.97,c1(c(cccc1)c(c23)cccc2)C3C(=O)N\N=C\c(cc4)ccc4C#N,0.0
64248,CO-ADD:0219350,-1.97,C(=O)(Nc(cc1)ccc1OC)C\C(\C)=N\NC(CCCC)=O,0.0
64249,CO-ADD:0218967,-1.97,C(=O)(Cc1cccc(cccc2)c12)NC(C)c3ccc(cc3)OC,0.0
64250,CO-ADD:0231166,-1.97,C(CCCCCCCCCCC(=O)Nc1cccc(Br)c1)(=O)Nc2cccc(Br)c2,0.0
64251,CO-ADD:0231160,-1.97,C(=O)(Nc1c(C)ccc(Cl)c1)c2ccccc2Br,0.0
64252,CO-ADD:0233032,-1.97,C(=N\c1ccccc1Cl)(/S\C(\C2=O)=C\c(cc3)ccc3I)\N2,0.0
64253,CO-ADD:0233004,-1.97,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\Nc(cc3)ccc3[N+](=O)[O-])sc(c4n1)cccc4,0.0
64254,CO-ADD:0236596,-1.97,C(C#N)(=C(N)OC(=C12)CCCC1=O)C2c(cco3)c3,0.0
64255,CO-ADD:0236890,-1.97,C(=O)(NCc1ccccc1)C(=O)NCc2cccc(c2)CNC(=O)C(=O)NCc3ccccc3,0.0
64256,CO-ADD:0236141,-1.97,C(C#N)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
64257,CO-ADD:0233540,-1.97,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(c2)cc(cn2)Br)c3ccco3,0.0
64258,CO-ADD:0231347,-1.97,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Cl)CC(=O)N\N=C\c3cccc(O)c3O,0.0
64259,CO-ADD:0233713,-1.97,c1([nH]nc(C(CC2)CCN2C(=O)[C@@H]3CCC(=O)N3)c1)C(F)(F)F,0.0
64260,CO-ADD:0233784,-1.97,c1(sccn1)C(C)(CC2)CCN2C(=O)CC[C@@H](N)C(=O)O.Cl,0.0
64261,CO-ADD:0236005,-1.97,N1(CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
64262,CO-ADD:0227602,-1.97,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N/NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)Br,0.0
64263,CO-ADD:0227595,-1.97,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C/c(ccc(c3OCC)O)c3,0.0
64264,CO-ADD:0229674,-1.97,S(c1ccccc1)(=O)(=O)Nc(cccc2c3cn4c(cccc4)n3)c2,0.0
64265,CO-ADD:0227321,-1.97,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(ccc(c3O)O)c3,0.0
64266,CO-ADD:0227883,-1.97,N1(c2cccc(Cl)c2C)C(=O)C=C(c3ccc(cc3)Cl)C1=O,0.0
64267,CO-ADD:0227870,-1.97,[N+](=O)([O-])c1cccc(c1)NC(=O)c2ccc(cc2)OC(=S)N3CCC(CC3)C,0.0
64268,CO-ADD:0229242,-1.97,C1(C)(CC2)C(CCC1C(C)C\C=C(\c3ccccc3)/c4ccccc4)C(C25)CC=C(CCCC6OC(C)=O)C56C,0.0
64269,CO-ADD:0229234,-1.97,[N+](=O)([O-])c(cc1C)cc(c1OCC(=O)N\N=C\c(cc(Br)cc2Br)c2OC)C,0.0
64270,CO-ADD:0227146,-1.97,N1(c2c(C)cc(cc2C)C)C(=O)C(C(C1=O)C34C(OC)OC)C(c(c35)cccc5)c(c46)cccc6,0.0
64271,CO-ADD:0231689,-1.97,c1(C(=O)N\N=C\C(\C)=C\c2ccccc2)nn(c(c3ccccc3)n1)c4ccccc4,0.0
64272,CO-ADD:0227397,-1.97,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)Br)OC(=O)c(cc4OC)cc(c4OC)OC,0.0
64273,CO-ADD:0227101,-1.97,C(C1)(C2c3ccccc3F)=C(OC(N)=C2C#N)\C(\CN1CC)=C\c4ccccc4F,0.0
64274,CO-ADD:0225385,-1.97,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc(ccc(c5F)C)c5,0.0
64275,CO-ADD:0226185,-1.97,S(=O)(=O)(N(Cc1cccc(C)c1)c2cccc(Cl)c2)c3cccn(c(nn4)C)c34,0.0
64276,CO-ADD:0226890,-1.97,c12n(c3c(cccc3)nc1SCC(=O)Nc(cc4)ccc4C(C)=O)c(nn2)CC,0.0
64277,CO-ADD:0225794,-1.97,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc(cc4)ccc4Br)=O,0.0
64278,CO-ADD:0225359,-1.98,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc5c(C)ccc(F)c5,0.0
64279,CO-ADD:0221574,-1.98,c1([N+](=O)[O-])cc(n(CC(=O)N(C)Cc2ccccc2)n1)C,0.0
64280,CO-ADD:0219072,-1.98,c(cc1[N+]([O-])=O)ccc1C(=O)N\N=C(\C)/CC(=O)Nc2cccc(Cl)c2C,0.0
64281,CO-ADD:0219003,-1.98,c1(C(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])c(O)cc(c3c1)cccc3,0.0
64282,CO-ADD:0221410,-1.98,[N+](=O)([O-])c1ccccc1C(=O)N\N=C(/C)\c2ccccc2O,0.0
64283,CO-ADD:0219288,-1.98,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c4cccc(I)c4,0.0
64284,CO-ADD:0221514,-1.98,N1(c(cc2)c(C)cc2[N+](=O)[O-])C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
64285,CO-ADD:0222705,-1.98,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(ccc(c3C)C)c3)n2)N(CC4)CCO4.Br,0.0
64286,CO-ADD:0219166,-1.98,N(=C\c1cccc(OC)c1)/NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
64287,CO-ADD:0219158,-1.98,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2cccc(F)c2,0.0
64288,CO-ADD:0220199,-1.98,C(CNc(cc1)ccc1C)(=O)N\N=C\c2cccs2,0.0
64289,CO-ADD:0220240,-1.98,C(F)(F)(C(F)(F)C(F)(F)C(=O)Nc(c1)cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.0
64290,CO-ADD:0220642,-1.98,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)C(C)(C)C,0.0
64291,CO-ADD:0231137,-1.98,C(Oc(cc1)ccc1C(=O)Nc2cccc(Br)c2)(=S)Nc3cccc(C)c3C,0.0
64292,CO-ADD:0233039,-1.98,C1(CCCCC1OC(C)=O)S(CCCCCCCCCCCC)=O,0.0
64293,CO-ADD:0236235,-1.98,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCc(cc3)ccc3Cl)c4ccccc4,0.0
64294,CO-ADD:0234614,-1.98,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccco3)OCC,0.0
64295,CO-ADD:0233529,-1.98,c1(Br)oc(cc1Br)\C=N\NC(=O)\C(=C/c(cc2)ccc2N(CC)CC)\NC(c3ccccc3)=O,0.0
64296,CO-ADD:0234929,-1.98,c1(OCC(=O)N\N=C\c(cc2)ccc2N(CCC)CCC)c(Br)cc(cc1Br)OC,0.0
64297,CO-ADD:0234439,-1.98,c1(ccc(C)o1)C(=O)N\N=C(/C)\c2ccccc2,0.0
64298,CO-ADD:0234897,-1.98,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3cccc(F)c3)=O,0.0
64299,CO-ADD:0236474,-1.98,c1(cc(ccc1NC(CSc2ccccn2)=O)Cc(ccc(c3C#N)NC(CSc4ccccn4)=O)c3)C#N,0.0
64300,CO-ADD:0229579,-1.98,c1(CC(=O)Nc(cc2)ccc2C)n(C)c(c3c1Sc4ccccc4)cccc3,0.0
64301,CO-ADD:0231704,-1.98,c1(C(=O)N\N=C\c(ccc(c2OC(c3ccccc3)=O)OC(c4ccccc4)=O)c2)nn(c(c5ccccc5)n1)c6ccccc6,0.0
64302,CO-ADD:0229264,-1.98,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3F,0.0
64303,CO-ADD:0231817,-1.98,[N+](=O)([O-])c1cccc(C(=O)\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)c1,0.0
64304,CO-ADD:0229248,-1.98,c(c(OC)c1)(cc(c1C(c2ccccc2)=O)OC)C(=O)Nc3ccccc3Sc4ccccc4[N+](=O)[O-],0.0
64305,CO-ADD:0231673,-1.98,C(=N\NC(COc1c(OC)cc(cc1Br)Br)=O)(/C2=O)\c(cc(C)cc3Br)c3N2,0.0
64306,CO-ADD:0229450,-1.98,C(COc(cc1)ccc1C)(=O)N\N=C\c2ccc(cc2OCCC)OCCC,0.0
64307,CO-ADD:0227398,-1.98,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c3cccc(F)c3,0.0
64308,CO-ADD:0227807,-1.99,N1(c(cccc2N3C(=O)c4c(c(ccc5[N+](=O)[O-])C3=O)c5ccc4)n2)C(=O)c6c(c(ccc7[N+](=O)[O-])C1=O)c7ccc6,0.0
64309,CO-ADD:0229215,-1.99,C1(C(c(cc(Br)c(c2O)O)c2Br)C3=C(C)N(N(c4ccccc4)C3=O)C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
64310,CO-ADD:0227430,-1.99,[N+](=O)([O-])c1ccc(cc1)\C=C\C(NCCc2ccccc2)=O,0.0
64311,CO-ADD:0227375,-1.99,N(=C(/C)\c1ccccc1)/NC(CNc2cccc(cccc3)c23)=O,0.0
64312,CO-ADD:0225741,-1.99,C1(=N2)N(C=CN=C1Sc3ccccc3)C(N2CC(=O)Nc4ccc(cc4F)Br)=O,0.0
64313,CO-ADD:0221504,-1.99,S(O)(=O)(=O)c1c(ccc(c1)[N+](=O)[O-])\C=C\c2ccc(cc2S(O)(=O)=O)[N+](=O)[O-],0.0
64314,CO-ADD:0221047,-1.99,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccc2Cl,0.0
64315,CO-ADD:0221721,-1.99,c1(\C=N\NC(CCCC(=O)Nc2cccc(Br)c2)=O)cc(OC)ccc1OC,0.0
64316,CO-ADD:0221110,-1.99,c(C(=O)c1ccc(cc1)Br)(sc(c23)nc(cc2c4ccccc4)c5ccccc5)c3N,0.0
64317,CO-ADD:0221247,-1.99,n1(c2)c(c(cn2)CCC3)c3c4c1ccc(c4)C5CCCCC5,0.0
64318,CO-ADD:0222144,-1.99,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c(c(O)ccc5[N+](=O)[O-])c5,0.0
64319,CO-ADD:0220088,-1.99,N(CCN1c2cccc(C)c2)(c3cccc(C)c3)C1c4ccc(cc4)Cl,0.0
64320,CO-ADD:0220530,-1.99,N(=C(/C)\c1ccc(cc1)OC)/NC(CNc2ccccc2C)=O,0.0
64321,CO-ADD:0220504,-1.99,[N+](=O)([O-])c(cc1)cc(c1N2CCCCC2CC)\C=N\NC(COc3cccc(cccc4)c34)=O,0.0
64322,CO-ADD:0218937,-1.99,c1(ccccc1O)C(=O)N\N=C(/C)\CC(=O)Nc2cccc(Cl)c2C,0.0
64323,CO-ADD:0221843,-1.99,c1(C#N)c(c2ccco2)c3c(nc1SCC(=O)c4ccc(cc4)Br)CCCC3,0.0
64324,CO-ADD:0231566,-1.99,C(=O)(Oc1cccc(c1)\C=N\NC(=O)C2COc(c3O2)cccc3)c4ccccc4Br,0.0
64325,CO-ADD:0231144,-1.99,c1(c(C)cc(cc1C)C)NC(=O)C\C(\C)=N/NC(COc2ccc(cc2Br)C)=O,0.0
64326,CO-ADD:0236607,-1.99,c1(C#N)c(SCc(cc2)ccc2OC)nsc1SCc(cc3)ccc3OC,0.0
64327,CO-ADD:0233260,-1.99,c1(ccccc1O)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Br,0.0
64328,CO-ADD:0233644,-1.99,C(COc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
64329,CO-ADD:0234311,-1.99,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2cccc(C)c2)=O)c3ccccc3I,0.0
64330,CO-ADD:0234386,-2.0,c1([nH]nc(N)n1)C(NN)=O.Cl.Cl,0.0
64331,CO-ADD:0234126,-2.0,C(CCC(O)=O)(=O)Nc(cc1)ccc1Cc(cc2)ccc2NC(CCC(O)=O)=O,0.0
64332,CO-ADD:0236893,-2.0,C(=O)(NCc1ccccc1)C(NCCOC=C)=O,0.0
64333,CO-ADD:0233368,-2.0,c1(C(N)=O)ncn(C)c1C(N)=O,0.0
64334,CO-ADD:0231641,-2.0,c1(C(=O)N\N=C\c(cc(Br)c(c2O)O)c2Br)nn(c(c3ccccc3)n1)c4ccccc4,0.0
64335,CO-ADD:0231189,-2.0,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\c(cc3)ccc3NC(C)=O,0.0
64336,CO-ADD:0229241,-2.0,C1(C)(CC2)C(CCC1C(C)C\C=C(\c3ccccc3)/c4ccccc4)C(C25)CC=C(CCCC6O)C56C,0.0
64337,CO-ADD:0227141,-2.0,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc4ccc(cc4C)C,0.0
64338,CO-ADD:0229189,-2.0,C(=O)(c1cccc(Br)c1)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3Br,0.0
64339,CO-ADD:0229657,-2.0,c1(OC)c(cccc1\C=N\NC(=O)CCOc2ccccc2C)OC,0.0
64340,CO-ADD:0227964,-2.0,C(=N/NC(COc1ccc(cc1OC)Br)=O)(/C2=O)\c(cc(Br)cc3Br)c3N2,0.0
64341,CO-ADD:0229564,-2.0,[N+](=O)([O-])c1c(NCCCNS(C)(=O)=O)ccc(Cl)c1,0.0
64342,CO-ADD:0227839,-2.0,c1(nonc1N)\C(=N\OCCCC)\Nc(cc2)ccc2C,0.0
64343,CO-ADD:0227252,-2.0,c1(S[C@H](C2C(C)C)C[C@H](C)CC2)n(c(cc3)ccc3)c(c(cc4)ccc4)nn1,0.0
64344,CO-ADD:0231682,-2.0,c1(C(=O)N\N=C\c(ccc(c2OC)OC)c2)nn(c(c3ccccc3)n1)c4ccccc4,0.0
64345,CO-ADD:0229246,-2.0,c(COc1ccc(cc1OC)\C=N\NC(=O)c2ccccc2O)(c(C)c3C)c(C)c(c3Br)C,0.0
64346,CO-ADD:0227296,-2.0,N(=C(/CC)\c(cc1)ccc1c2ccccc2)/NC(COc3ccc(cc3OC)Br)=O,0.0
64347,CO-ADD:0219466,-2.0,C(=O)(N\N=C\c(ccc(c1OC)OCC=C)c1)c2ccc(c(OC)c2)OC,0.0
64348,CO-ADD:0221432,-2.0,S(=O)(=O)(c(cc1)ccc1N2C(=O)CCC2=O)Nc(cccc3[N+](=O)[O-])c3,0.0
64349,CO-ADD:0218957,-2.0,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3ccccc3OC)c1,0.0
64350,CO-ADD:0219041,-2.0,C1(C#N)(C#N)C(c2ccc(cc2OC)OC)C3C(C(C#N)=C1N)=CCC3,0.0
64351,CO-ADD:0219008,-2.0,c1(C(=O)N\N=C\c2ccccc2)c(O)cc(c3c1)cccc3,0.0
64352,CO-ADD:0221435,-2.01,S(=O)(=O)(Nc(cc1)ccc1Br)c2c(C)ccc(c2)C(=O)Nc(cc3)ccc3[N+](=O)[O-],0.0
64353,CO-ADD:0222734,-2.01,C(CC(C)(C)CC1=O)(Nc(ccc(c23)cccc2)c3)=C1,0.0
64354,CO-ADD:0220637,-2.01,c12c(c(ccc1)CC3)c3ccc2\C(\C)=N\NC(CNC(=O)C(c4ccccc4)c5ccccc5)=O,0.0
64355,CO-ADD:0219657,-2.01,[N+](=O)([O-])c1cccc(\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c1OC,0.0
64356,CO-ADD:0219403,-2.01,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)OC)Nc2ccc(cc2F)F,0.0
64357,CO-ADD:0219418,-2.01,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(=O)NC(C)(C)C,0.0
64358,CO-ADD:0221207,-2.01,S(CCCCCCCCCC)(=O)(=O)N\N=C\c(cc1)ccc1F,0.0
64359,CO-ADD:0234599,-2.01,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccccc3Br)OC,0.0
64360,CO-ADD:0233261,-2.01,c1(ccc(cc1Cl)Cl)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Br,0.0
64361,CO-ADD:0231693,-2.01,c1(cc(Br)cc(\C=N\c(cc2)ccc2c3sc(c4n3)ccc(C)c4)c1O)[N+](=O)[O-],0.0
64362,CO-ADD:0236329,-2.01,c1(C#N)c(SCC(=O)Nc2scc(C)n2)nsc1SCC(=O)Nc3scc(C)n3,0.0
64363,CO-ADD:0233433,-2.01,c(cc(Br)cc1Cl)(\C=N\c(cc2)ccc2C(O)=O)c1O,0.0
64364,CO-ADD:0236251,-2.01,S(=O)(=O)(c1cccc(C)c1)N2CCSC2c3ccc(c(Br)c3)OC,0.0
64365,CO-ADD:0233379,-2.01,S(c1ccccc1)(=O)(=O)c(cc2)ccc2[N+](=O)[O-],0.0
64366,CO-ADD:0236424,-2.01,C(=O)(C(NCCOc1ccccc1)=O)Nc2ccc(cc2C)C,0.0
64367,CO-ADD:0231821,-2.01,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(ccc(c2OC(=O)c3ccc(cc3)Br)OC(=O)c4ccc(cc4)Br)c2)c1,0.0
64368,CO-ADD:0229640,-2.01,C1(=O)Nc2c(Oc(ccc(c3)NC(C)=O)c13)cccc2,0.0
64369,CO-ADD:0227802,-2.01,N1C(C)(C)CC(CC1(C)C)NC(CNc2ccccc2)=O,0.0
64370,CO-ADD:0229430,-2.01,C(=O)(N\N=C\c(ccc(c1O)O)c1)c(ccc(c2Br)OC)c2,0.0
64371,CO-ADD:0227957,-2.01,c1(c(Br)cc(cc1\C=N/NC(COc2cccc(C)c2)=O)Br)OC(=O)c3cccc(C)c3,0.0
64372,CO-ADD:0229272,-2.01,[C@@H]1([C@@H](CCCCC(OC)=O)SC[C@H]1NC(N)=O)NC(N)=O,0.0
64373,CO-ADD:0229721,-2.01,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)O,0.0
64374,CO-ADD:0229453,-2.01,C(COc(cc1)ccc1F)(=O)N\N=C\c2cccc(Br)c2,0.0
64375,CO-ADD:0231705,-2.01,c1(C(=O)N\N=C\c(ccc(c2O)O)c2O)nn(c(c3ccccc3)n1)c4ccccc4,0.0
64376,CO-ADD:0229650,-2.01,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
64377,CO-ADD:0227079,-2.01,n(c(OC)nc(n1)OC)c1NCCC,0.0
64378,CO-ADD:0229373,-2.01,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)OCC(c3ccccc3)=O,0.0
64379,CO-ADD:0222354,-2.01,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c(cc2)ccc2c3ccc(cc3)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
64380,CO-ADD:0220156,-2.01,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc3c(Br)cc(cc3Br)Br)=O)o1,0.0
64381,CO-ADD:0220895,-2.01,C(=N/NC(=O)c(cccn1)c1)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
64382,CO-ADD:0225917,-2.01,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc4cc(OC)cc(OC)c4)C2=O,0.0
64383,CO-ADD:0226317,-2.01,N1(C2=O)C(C=C(N=C1Nc(cc3)ccc3F)C)=NN2CC(=O)N4CCCc(cccc5)c45,0.0
64384,CO-ADD:0221192,-2.01,c1(C(=O)N(CC=C)C(=N2)SC)c2sc(COC(C)(C)C3)c13,0.0
64385,CO-ADD:0220052,-2.01,s1c(c2ccc(cc2)C)nnc1NC(c3ccccc3)=O,0.0
64386,CO-ADD:0222196,-2.01,c1(c2cccc(Br)c2)oc3c(ccc(c3)\N=C\c(ccc(c4Br)OC)c4)n1,0.0
64387,CO-ADD:0220356,-2.01,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(CNc(cc3)ccc3C)=O,0.0
64388,CO-ADD:0220317,-2.02,C(CNc1ccccc1C)(=O)N\N=C\c(cc2)ccc2Br,0.0
64389,CO-ADD:0220311,-2.02,c1(\C=N\NC(CNc2cccc(C)c2)=O)cc(I)ccc1O,0.0
64390,CO-ADD:0237057,-2.02,O=C1N(Cc2cc3ccccc3s2)CC4CN(Cc5ccccc5)CCN14,0.0
64391,CO-ADD:0237059,-2.02,CN1CCN(CC1)c2cc(nc(n2)c3ccncc3)c4ccc(F)cc4,0.0
64392,CO-ADD:0237372,-2.02,C(N1CCOCC1)c2cc(n[nH]2)c3ccc(Oc4ccccc4)cc3,0.0
64393,CO-ADD:0237133,-2.02,CC1CC1C(=O)NC2CCN(CC3(CCCCC3)c4ccccc4)CC2,0.0
64394,CO-ADD:0237215,-2.02,O=C(N1CCN(CC2=CC=C(NS(=O)(C3=CC=C(C)C=C3)=O)C=C2)CC1)C4=CC(C#N)=CC=C4,0.0
64395,CO-ADD:0237316,-2.02,Clc1cccc(NC(=O)c2cnc(N3CCN(CC3)c4ccncc4)c(Cl)c2)c1,0.0
64396,CO-ADD:0233060,-2.02,c(C(OCC)=O)(c(C)nc1NC(=O)CCSCCC(=O)Nc(s2)nc(c2C(OCC)=O)C)s1,0.0
64397,CO-ADD:0233021,-2.02,C1(C(=O)N\N=C(\c2ccccc2)/C=C/c3ccccc3[N+](=O)[O-])CC1c4ccccc4,0.0
64398,CO-ADD:0236205,-2.02,C12(c3c(NC1=O)cccc3)C4=C(CCCC4=O)OC(N)=C2C(=O)OCc5ccccc5,0.0
64399,CO-ADD:0236694,-2.02,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc(cc4)ccc4S(N)(=O)=O)n2,0.0
64400,CO-ADD:0233138,-2.02,c1(nonc1N)\C(\N2CCCC2)=N/OC(C)=O,0.0
64401,CO-ADD:0233590,-2.02,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(COc3cc(C)ccc3C(C)C)=O,0.0
64402,CO-ADD:0234695,-2.02,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(COc3c(Br)cc(cc3Br)Br)=O)Br,0.0
64403,CO-ADD:0233182,-2.02,C(=O)(Nc(cc1)ccc1C(=O)Nc(cc2)ccc2C)c3ccco3,0.0
64404,CO-ADD:0227658,-2.02,C1(\C(\C)=N\OC)(ON=C2C(OC)=O)C2CC(C(C34)CC=C(CC(CC5)OC(C)=O)[C@@]35C)[C@]1(C)CC4,0.0
64405,CO-ADD:0229103,-2.02,c1(\C=N\NC(=O)c2ccc(cc2)OCc3ccccc3)cc(Br)ccc1OC,0.0
64406,CO-ADD:0229324,-2.02,c1(C(OC)=O)nnc(c(c2ccccc2)n1)c3ccccc3,0.0
64407,CO-ADD:0231820,-2.02,c1(Br)c(Br)c(\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)cc(O)c1O,0.0
64408,CO-ADD:0231810,-2.02,N(=C\c(cc1)ccc1C(OC)=O)/c2cc(C)c(cc2O)C,0.0
64409,CO-ADD:0227448,-2.02,C(CNc1ccccc1OC)(=O)N\N=C\c2ccc(cc2O)O,0.0
64410,CO-ADD:0227793,-2.02,C(=O)(Oc(ccc(c1C)C)c1)Nc(ccc(c2Cl)OC)c2,0.0
64411,CO-ADD:0226349,-2.02,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc4c(C)ccc(F)c4,0.0
64412,CO-ADD:0225221,-2.02,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc(cc4)ccc4C(C)C)C2=O,0.0
64413,CO-ADD:0225237,-2.02,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)NCc(cc4)ccc4C)C2=O,0.0
64414,CO-ADD:0226270,-2.02,S(=O)(=O)(N(c1ccc(cc1)F)Cc2ccccc2F)c(ccc3n4c(C)nn3)c4,0.0
64415,CO-ADD:0226330,-2.02,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(=O)Nc4ccc(cc4F)F,0.0
64416,CO-ADD:0220558,-2.02,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(COc3c(Br)cc(cc3Br)Br)=O,0.0
64417,CO-ADD:0222415,-2.03,c1(c(Br)cc(cc1\C=N\NC(=O)c(ccc(n2)C)c2)Br)OC(=O)c3cccc(C)c3,0.0
64418,CO-ADD:0222257,-2.03,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c3cccc(F)c3,0.0
64419,CO-ADD:0222320,-2.03,c(cc(Cl)cc1Cl)(\C=N\c(cc2)ccc2\N=C\c(cc(Cl)cc3Cl)c3O)c1O,0.0
64420,CO-ADD:0220751,-2.03,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc(ccc(c34)cccc3)c4)=O,0.0
64421,CO-ADD:0219092,-2.03,C(=O)(N\N=C\c(cc1)ccc1F)c2ccc(cc2)NC(C)=O,0.0
64422,CO-ADD:0237231,-2.03,CCCc1ccc(cc1)S(=O)(=O)Nc2ccc(CN3CCN(CC4CC4)CC3)cc2,0.0
64423,CO-ADD:0237067,-2.03,C1CC(CCO1)c2cc(n[nH]2)c3ccc(Oc4ccccc4)cc3,0.0
64424,CO-ADD:0237151,-2.03,Nc1ncnc2c1ncn2C[C@@H](O)[C@@H](O)C(=O)O,0.0
64425,CO-ADD:0237232,-2.03,COc1ccc2nc(C)cc(OCC(=O)Nc3ccccc3OC)c2c1,0.0
64426,CO-ADD:0237156,-2.03,C1CCN(C1)C(c2ccccn2)c3c([nH]c4ccccc34)c5ccccc5,0.0
64427,CO-ADD:0237320,-2.03,Cc1nc(nc(N2CCC(Cc3ccccc3)C2)c1Cl)c4ccccn4,0.0
64428,CO-ADD:0236653,-2.03,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(cc2)ccc2C(OC)=O)c3c(OC)ccc(OC)c3,0.0
64429,CO-ADD:0231013,-2.03,C(=O)(Nc(ccc(c1Cl)Cl)c1)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
64430,CO-ADD:0236453,-2.03,N1(CSc2[nH]nc(c3ccccc3)n2)C(=O)c4c(cccc4)C1=O,0.0
64431,CO-ADD:0233503,-2.03,c1(ccc(\C=N\NC(=O)c(c2)cc(cn2)Br)o1)c3ccc(cc3Cl)Cl,0.0
64432,CO-ADD:0233265,-2.03,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(=O)c2ccc(cc2)OC,0.0
64433,CO-ADD:0229070,-2.03,C(=O)(N\N=C\c1ccccc1O)c2ccc(cc2)NC(CCC)=O,0.0
64434,CO-ADD:0233526,-2.03,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c3ccccc3Br,0.0
64435,CO-ADD:0234883,-2.03,[N+](=O)([O-])c(cc1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)cc(c1OC(=O)c3ccc(cc3)Br)Br,0.0
64436,CO-ADD:0236487,-2.03,[N+](=O)([O-])c1ccc(cc1NCCOc2cccc(OC)c2)N3CCCC3,0.0
64437,CO-ADD:0236864,-2.03,c1(c2ccco2)nnc(SCC(=O)NCc3ccccc3)o1,0.0
64438,CO-ADD:0236039,-2.03,N1(C(C)=O)CC(N(OCSC)C1c2ccc(cc2Cl)Cl)=O,0.0
64439,CO-ADD:0227952,-2.03,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(COc3cccc(C)c3)=O,0.0
64440,CO-ADD:0229402,-2.03,N1(c2ccc(cc2)Cl)C(=O)c3c(cccc3)C1=O,0.0
64441,CO-ADD:0227945,-2.03,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c4cccc(I)c4,0.0
64442,CO-ADD:0229112,-2.03,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c(cc3)ccc3OCCCCC)c2,0.0
64444,CO-ADD:0229484,-2.03,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3Br,0.0
64445,CO-ADD:0226370,-2.03,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(=O)Nc(ccc(c4Cl)OC)c4)=O,0.0
64446,CO-ADD:0225835,-2.03,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)Nc4c(OC)cc(c(Cl)c4)OC)=O,0.0
64447,CO-ADD:0226243,-2.03,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(c3c2)OCO3)c(ccc4n5c(C)nn4)c5,0.0
64448,CO-ADD:0225867,-2.03,C1(=N2)N(C=CN=C1Sc3cccc(F)c3)C(N2CC(=O)NCc(cc4)ccc4C)=O,0.0
64449,CO-ADD:0220110,-2.04,C(/c1ccc(cc1)OC)(\c2ccc(cc2)OC)=C(\Cl)/Cl,0.0
64450,CO-ADD:0219254,-2.04,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)cc(c2NC(=O)c(cc3)ccc3[N+](=O)[O-])Cl,0.0
64451,CO-ADD:0220336,-2.04,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(CNc2cccc(C)c2)=O,0.0
64452,CO-ADD:0220505,-2.04,[N+](=O)([O-])c(cc1)cc(c1N2CCCCC2CC)\C=N\NC(COc(cc3)ccc3C)=O,0.0
64453,CO-ADD:0220026,-2.04,n1c(c2ccccc2)cc(cc1c3ccccc3)c4ccc(cc4)I,0.0
64454,CO-ADD:0220051,-2.04,c1(C(F)(F)F)nnc(NC(c2ccccc2)=O)s1,0.0
64455,CO-ADD:0237108,-2.04,COc1ccc(cc1OCc2ccccn2)C3=NN(C4CCCCCC4)C(=O)C3(C)C,0.0
64456,CO-ADD:0237111,-2.04,O=C(NCCc1c[nH]c2ccccc12)C3=Cc4ccccc4OC3=O,0.0
64457,CO-ADD:0237270,-2.04,COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(Cl)cc4)CC3)c2n1,0.0
64458,CO-ADD:0237194,-2.04,CC(C)C(C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C)c2ccc(Cl)cc2,0.0
64459,CO-ADD:0237299,-2.04,O=C(NCCc1ccccc1)c2cc(cnc2NCC3CC3)c4cccnc4,0.0
64460,CO-ADD:0237221,-2.04,CN1C(=O)N(C)c2nsc(c2C1=O)S(=O)(=O)C,0.0
64461,CO-ADD:0233294,-2.04,c1(ccccc1OC)C(=O)O\N=C(\CC2)/c3c(C2)cc(OC)cc3,0.0
64462,CO-ADD:0233262,-2.04,C(=O)(c1cccc(C)c1)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Br,0.0
64463,CO-ADD:0229647,-2.04,N1(c2ccc(cc2)C)C(=O)c(cc3)c(c4C1=O)c(c3C5=O)c(cc4)C(N5c6ccc(cc6)C)=O,0.0
64464,CO-ADD:0236581,-2.04,N12C(S\C(=C/c(cc3)ccc3C(C)C)\C1=O)=C(C(c(cc4)ccc4C(C)C)C(C(OCC)=O)=C2N)C#N,0.0
64465,CO-ADD:0236799,-2.04,c1(Sc2nc(C)c(c(C)n2)C)c(cc(cc1[N+](=O)[O-])C(O)=O)[N+](=O)[O-],0.0
64466,CO-ADD:0234589,-2.04,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c2cccc(O)c2,0.0
64467,CO-ADD:0231028,-2.04,C(=O)(Nc(cc1)ccc1OC)\C=C\c(cccc2Oc3ccccc3)c2,0.0
64468,CO-ADD:0229709,-2.04,c1(NCC(=O)N\N=C(/C)\CCCCCC)c(Br)cc(cc1Br)Br,0.0
64469,CO-ADD:0230940,-2.04,S(c1ccccc1)(=O)(=O)N(CC(NCCOc2ccccc2)=O)c3ccc(cc3OC)OC,0.0
64470,CO-ADD:0231537,-2.04,C(=O)(N\N=C\C=C\c1ccco1)c(ccc(c23)OCCO2)c3,0.0
64471,CO-ADD:0234607,-2.04,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccco3)OC,0.0
64472,CO-ADD:0234340,-2.04,C(=O)(C(Cl)Cl)N(c1ccccc1)C\C(\Nc2ccccc2)=N\c3ccccc3,0.0
64473,CO-ADD:0234422,-2.04,C1(CC(OC)=O)=C(C)C(=O)CC2[C@]1(C)CCCC2(C)C,0.0
64474,CO-ADD:0236841,-2.04,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)Nc(cc3)ccc3F,0.0
64475,CO-ADD:0236036,-2.04,c1(SCC(=O)Nc2ccccc2C#N)[nH]c(c3n1)cccc3,0.0
64476,CO-ADD:0234371,-2.04,n1(c(C)ccc1C)c2ccc(c3c2)cccc3,0.0
64477,CO-ADD:0234682,-2.04,c1(c2cccc(c2)\N=C\c(cc(Br)cc3Cl)c3O)sc(c4n1)cccc4,0.0
64478,CO-ADD:0227719,-2.04,c1(c2ccccc2)nonc1OCCNc(cc3)ccc3[N+](=O)[O-],0.0
64479,CO-ADD:0227972,-2.04,c(\C=N\NC(COc1ccc(cc1OC)Br)=O)(cc(Br)c(c2)O)c2O,0.0
64480,CO-ADD:0229876,-2.04,C1(C#N)(C#N)[C@H](c2ccccc2)[C@@]([H])(C3)C(C(C#N)=C1N)=CCN3C,0.0
64481,CO-ADD:0229128,-2.04,c1(OC)c(OC)cc(cc1OC)\C=N\NC(=O)c2ccc(cc2)NC(CCC)=O,0.0
64482,CO-ADD:0231256,-2.04,c1(c2c(cccc2)ccc1OC(=O)c3ccc(cc3)C)\C=N\c(cc4)ccc4C(OC)=O,0.0
64483,CO-ADD:0229438,-2.04,N(=C(C)CC(=N1)C)c2c1cccc2,0.0
64484,CO-ADD:0225875,-2.04,C1(=N2)N(C=CN=C1SCc3ccccc3)C(N2CC(=O)NCc4ccccc4)=O,0.0
64485,CO-ADD:0225239,-2.04,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)NC4CCCCC4)C2=O,0.0
64486,CO-ADD:0225380,-2.05,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc(cc5)ccc5C(OC)=O,0.0
64487,CO-ADD:0226273,-2.05,S(=O)(=O)(N(c1ccc(cc1)F)Cc2ccccc2Cl)c(ccc3n4c(C)nn3)c4,0.0
64488,CO-ADD:0225905,-2.05,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)Nc(ccc(c4F)C)c4)C2=O,0.0
64489,CO-ADD:0220585,-2.05,C(CNc1ccccc1C)(=O)N\N=C\c2cccc(O)c2,0.0
64490,CO-ADD:0222112,-2.05,[N+](=O)([O-])c1ccccc1NCCNCCO.Cl,0.0
64491,CO-ADD:0222573,-2.05,[N+](=O)([O-])c(cccc1C(=O)Oc(cc2)ccc2\C=N/Nc(nc3)nc(c3C(OCC)=O)C)c1,0.0
64492,CO-ADD:0222363,-2.05,c1(N(CC2)CCO2)nc(N\N=C/c3cccc(OC)c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
64493,CO-ADD:0222666,-2.05,N(OC(C1)=O)=C1c2ccc(cc2)Cl,0.0
64494,CO-ADD:0220737,-2.05,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c2ccccc2Cl,0.0
64495,CO-ADD:0220955,-2.05,C(=N/NC(=O)c1cccc(O)c1)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
64496,CO-ADD:0220748,-2.05,c1(O)c(Br)c(\C=N\NC(CNc(cc2)ccc2C)=O)cc(Br)c1O,0.0
64497,CO-ADD:0219081,-2.05,[N+](=O)([O-])c1ccccc1NC(CCCCCCCCC(OC)=O)=O,0.0
64498,CO-ADD:0219541,-2.05,c1(C)c(cccc1\N=C\C=C(/O)\c2ccc(cc2)Cl)Cl,0.0
64499,CO-ADD:0219676,-2.05,c1(c(Cl)ccc(Cl)c1)NC(CCC(=O)N\N=C\c2cccc(I)c2)=O,0.0
64500,CO-ADD:0220291,-2.05,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc2ccccc2I,0.0
64501,CO-ADD:0237226,-2.05,CCN(CC)CCCN1CCN(CC1)C(=O)c2cccc(c2)c3noc(n3)C(F)(F)F,0.0
64502,CO-ADD:0237083,-2.05,Cc1ccc(NC(=O)CC2COc3ccccc3O2)cc1Cl,0.0
64503,CO-ADD:0237362,-2.05,Clc1cccc(CO[C@H]2CCc3ccccc3[C@@H]2n4ccnn4)c1,0.0
64504,CO-ADD:0237284,-2.05,COc1cc(cc2cc(oc12)c3ccc(cc3)C4=NCCN4)C5=NCCN5,0.0
64505,CO-ADD:0237389,-2.05,FC1(F)CCN(CCCCNc2cc(c3cc(ccc3n2)Cl)C(=O)NCCN2CCCC2)CC1,0.0
64506,CO-ADD:0237391,-2.05,CC1CS(=O)(=O)CCN1\N=C\c2oc(cc2)[N+](=O)[O-],0.0
64507,CO-ADD:0234710,-2.05,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
64508,CO-ADD:0234259,-2.05,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccccc2Br)=O)c3ccccc3Br,0.0
64509,CO-ADD:0234420,-2.05,c(c1C)(c(C)n(n1)C)\C=C(/n(c2)ncn2)\C(=O)c3ccc(cc3Cl)Cl,0.0
64510,CO-ADD:0234908,-2.05,c1(OCC(=O)N\N=C\c2ccccc2)c(Br)cc(cc1Br)OC,0.0
64511,CO-ADD:0236356,-2.05,C1(Cc(cc2)ccc2Br)(Cc(cc3)ccc3Br)C(=O)OC(OC1=O)(C)C,0.0
64512,CO-ADD:0234490,-2.05,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4CC#N,0.0
64513,CO-ADD:0229375,-2.05,C(=O)(NC(CC1(C)C)CC(N1)(C)C)C(=O)Nc(cc2)ccc2F,0.0
64514,CO-ADD:0227463,-2.05,c1(c(\C=N\NC(CNc2c(Br)cc(cc2Br)Cl)=O)ccc(OC)c1OC)C(O)=O,0.0
64515,CO-ADD:0229877,-2.05,c1(\C=N/NC(N)=S)c(ccc(cccc2)c12)OCc3ccccc3Cl,0.0
64516,CO-ADD:0229896,-2.05,n1(nnnc1C(N2CCCCC2)c3ccc(cc3Cl)Cl)C(C(C)(C)C)C(Oc(cc4)ccc4Cl)n(c5)ncn5,0.0
64517,CO-ADD:0229487,-2.06,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3cccc(cccc4)c34,0.0
64518,CO-ADD:0229084,-2.06,C(=O)(N\N=C\c(cc1)ccc1F)c2ccc(cc2)NC(CCC)=O,0.0
64519,CO-ADD:0226239,-2.06,S(=O)(=O)(N(Cc1cccc(Cl)c1)c2ccc(c3c2)OCO3)c(ccc(n4c5)nn5)c4,0.0
64520,CO-ADD:0225431,-2.06,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5ccc(cc5OC)OC)=O,0.0
64521,CO-ADD:0226194,-2.06,N1(C2=O)C(C=C(c3ccccc3)N=C1C)=NN2CC(=O)Nc(ccc(c45)OCO4)c5,0.0
64522,CO-ADD:0225434,-2.06,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(ccc(c5C)C)c5)=O,0.0
64523,CO-ADD:0221030,-2.06,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc(cc2)ccc2C(C)=O,0.0
64524,CO-ADD:0221897,-2.06,N1(c2cccc(C)c2)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
64525,CO-ADD:0222041,-2.06,N(C(=O)\C=C\c1ccccc1)C(NCCOC(=O)\C=C\c2ccccc2)=O,0.0
64526,CO-ADD:0222434,-2.06,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c2ccccc2Cl,0.0
64527,CO-ADD:0220090,-2.06,C1(c(cccc2[N+](=O)[O-])c2)N(CCN1c3cccc(C)c3)c4cccc(C)c4,0.0
64528,CO-ADD:0220608,-2.06,[N+](=O)([O-])c1ccc(cc1\C=N\NC(CNc2ccccc2C)=O)O,0.0
64529,CO-ADD:0219798,-2.06,c12c(ncnc1SC)[nH]cn2,0.0
64530,CO-ADD:0220645,-2.06,[N+](=O)([O-])c1cccc(\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c1O,0.0
64531,CO-ADD:0220367,-2.06,c1(cc(C)cc(I)c1O)\C=N\c(cc2)ccc2C(OCCCC)=O,0.0
64532,CO-ADD:0222777,-2.06,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccccc5Cl,0.0
64533,CO-ADD:0219764,-2.06,c(c1)(cc(cc1NC(CCCCCCCCCCC)=O)NC(CCCCCCCCCCC)=O)C(O)=O,0.0
64534,CO-ADD:0219257,-2.06,[N+](=O)([O-])c1c(Cl)ccc(c1)\N=C\c(cc2)ccc2\C=N\c(ccc(c3[N+](=O)[O-])Cl)c3,0.0
64535,CO-ADD:0237333,-2.06,CCCCc1ccc(NC(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3N(C)c4ccccc4)c(F)c2)cc1,0.0
64536,CO-ADD:0237414,-2.06,Nc1nccc2ccc(Oc3ccncc3)cc12,0.0
64537,CO-ADD:0230945,-2.06,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(NCCSc(cc3)ccc3Cl)=O,0.0
64538,CO-ADD:0230924,-2.06,C1([N+](=O)[O-])N=Nc2n1cnn2,0.0
64539,CO-ADD:0234817,-2.06,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)Cc2cccc(cccc3)c23)c4ccccc4I,0.0
64540,CO-ADD:0236206,-2.06,C12(c3c(NC1=O)cccc3)C(C(=O)OCc4ccccc4)=C(N)OC(C=C(C)OC5=O)=C25,0.0
64541,CO-ADD:0233412,-2.06,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Br)cc4Cl)c4O)cccc2,0.0
64542,CO-ADD:0229787,-2.06,c1(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)sc3c(ccc(c3)\N=C\c(cccc4[N+](=O)[O-])c4)n1,0.0
64543,CO-ADD:0234247,-2.06,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4ccccc4Br,0.0
64544,CO-ADD:0229763,-2.06,c12c(c(nn1c3ccccc3)C)cc(C(=O)Nc(cc4)ccc4OC)s2,0.0
64545,CO-ADD:0229754,-2.06,N1(c2sccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4Sc(cc5)ccc5[N+](=O)[O-],0.0
64546,CO-ADD:0229785,-2.07,c1(SCC(=O)Nc2ccccc2)ccc(\C=N\NC(=O)c3cccc(OC)c3)o1,0.0
64547,CO-ADD:0228990,-2.07,C(=O)(c1ccc(cc1)C)Nc(cc2)ccc2C(C)=O,0.0
64548,CO-ADD:0236516,-2.07,n1(nc(cc1O)Nc2c(Cl)ccc(N)c2)c3c(Cl)cc(cc3Cl)Cl,0.0
64549,CO-ADD:0233348,-2.07,C(=O)(C(c1ccccc1)c2ccccc2)NC(C)Cc(c3c([nH]4)cccc3)c4,0.0
64550,CO-ADD:0234117,-2.07,c1(C(=O)NNS(=O)(=O)c2ccc(cc2)C)csc(CCCC3)c13,0.0
64551,CO-ADD:0234062,-2.07,c1(ccccc1Cl)C(=O)N\N=C\c(cc2)ccc2OC,0.0
64552,CO-ADD:0229321,-2.07,C(=N/OC(=O)c1cccc(F)c1)(/c2c(N3C)cccc2)\C3=O,0.0
64553,CO-ADD:0229882,-2.07,C(=O)(c1ccc(cc1)F)Nc(c(OC)c2)cc(c2NC(=O)c3ccc(cc3)Cl)Cl,0.0
64554,CO-ADD:0231827,-2.07,c1(OCC(=O)N\N=C\c2ccc(cc2O)O)c(OC)cc(cc1Br)Br,0.0
64555,CO-ADD:0231828,-2.07,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c4cccc(OC)c4O,0.0
64556,CO-ADD:0229374,-2.07,o1c(S)nnc1c(cc2)ccc2C(C)(C)C,0.0
64557,CO-ADD:0229631,-2.07,c1(Nc2ccccc2OC)c(c(C)nc(NC)n1)[N+](=O)[O-],0.0
64558,CO-ADD:0226947,-2.07,c12n(c(nn1)CCC(=O)NC(C)C34CC5CC(CC(C5)C3)C4)c(c6C(=O)N2CCC)ccs6,0.0
64559,CO-ADD:0220660,-2.07,C(=N/NC(=O)c(cccc1[N+](=O)[O-])c1)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
64560,CO-ADD:0221094,-2.07,N(=C\c1ccccc1)/NC(CCCNc2ccccc2)=O,0.0
64561,CO-ADD:0221109,-2.07,c1(c(C)n[nH]c1O)C(C(C#N)C#N)c(cccc2[N+](=O)[O-])c2,0.0
64562,CO-ADD:0221168,-2.07,C(/C(C)=NN1)(=N/Nc(c2)cc(cc2C(N)=O)C(N)=O)\C1=O,0.0
64563,CO-ADD:0221658,-2.07,C(NCCCCCCCCCCNC(=O)Nc1cccc(C)c1C)(=O)Nc2cccc(C)c2C,0.0
64564,CO-ADD:0220713,-2.07,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(cc(Br)cc2Br)c2O)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
64565,CO-ADD:0222553,-2.07,[N+](=O)([O-])c1ccc(cc1)\C=N\c2c(C)cccc2O,0.0
64566,CO-ADD:0222274,-2.07,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C\c2ccccc2Cl,0.0
64567,CO-ADD:0221160,-2.07,c1(C#N)c(SCC(O)CS(CCCCCCCC)(=O)=O)nc(cc1C(F)(F)F)c2cccs2,0.0
64568,CO-ADD:0221129,-2.07,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCN3C\C=C\c4ccccc4)C1=O,0.0
64569,CO-ADD:0220561,-2.07,c1(O)c(OC)cc(cc1OC)\C=N\NC(COc2ccc(cc2Cl)Cl)=O,0.0
64570,CO-ADD:0220343,-2.07,C(CNc1cccc(C)c1)(=O)N\N=C\c(cc2)ccc2\C=N\NC(CNc3cccc(C)c3)=O,0.0
64571,CO-ADD:0220506,-2.07,C(=C/c1ccccc1O)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3OCC,0.0
64572,CO-ADD:0219842,-2.07,C(COc(cc1)ccc1OC)(=O)Nc(cc2)ccc2OC,0.0
64573,CO-ADD:0219800,-2.07,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)N\N=C\c(cc3)ccc3OC(c4ccccc4)=O,0.0
64574,CO-ADD:0222344,-2.07,c1(c(O)cc(c(Cl)c1C)C)\C=N\c2ccc3c(c(ccc4)CC3)c24,0.0
64575,CO-ADD:0220747,-2.07,c(Nc(ccc(c1C)C)c1)(nc(N\N=C/c(ccc(c23)OCO2)c3)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
64576,CO-ADD:0231396,-2.07,N1\C(=N/N=C/c(ccc(c2[N+](=O)[O-])Cl)c2)\S\C(=C\c(cc(Br)c(c3Br)O)c3O)\C1=O,0.0
64577,CO-ADD:0232857,-2.07,N(=C1C)C(=N)C(=CN1CC(=O)c2ccc(cc2)Cl)COCC.Br,0.0
64578,CO-ADD:0230948,-2.07,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)Nc(ccc(c3Cl)Cl)c3,0.0
64579,CO-ADD:0237200,-2.07,Cc1cccc(n1)c2nc(Nc3ccncn3)c4sccc4n2,0.0
64580,CO-ADD:0237171,-2.07,CCOc1ccc2cc(cnc2c1)c3nn(c(N)c3C(=O)N)C(C)(C)C.Cl,0.0
64581,CO-ADD:0237256,-2.07,OC[C@H]1O[C@H](C(O)[C@H]1O)n2c3ccc(Cl)cc3c4c(ncnc24)c5oc6ccccc6c5,0.0
64582,CO-ADD:0234336,-2.07,C1(Cl)(C2(CCCC2)ON=C1c3ccccc3)[N+](=O)[O-],0.0
64583,CO-ADD:0237012,-2.08,OCC(C)(C)[C@@H](O)C(NCCC(N(C)CCCCCCC)=O)=O,0.0
64584,CO-ADD:0236138,-2.08,C(C#N)(C1c2ccc(cc2)Br)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
64585,CO-ADD:0236853,-2.08,c1(cc(c(C)o1)C)C(=O)Nc(ccc(c23)cccc2)c3,0.0
64586,CO-ADD:0236096,-2.08,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3c4cccc(Cl)c4)C1=O,0.0
64587,CO-ADD:0236021,-2.08,[nH]1c(C)nnc1SCC(=O)Nc2cccc(cccc3)c23,0.0
64588,CO-ADD:0234372,-2.08,C(=O)(Oc(cc1)ccc1Oc(cc2)ccc2OC(=O)c3ccco3)c4ccco4,0.0
64589,CO-ADD:0236870,-2.08,C1(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])=C(C)N(N(c3ccccc3)C1=O)C,0.0
64590,CO-ADD:0227785,-2.08,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2cccc(cccc3)c23,0.0
64591,CO-ADD:0227185,-2.08,[N+](=O)([O-])c1ccc(cc1)\C=N\c2cc(ccc2O)Cc(ccc(c3\N=C\c(cc4)ccc4[N+](=O)[O-])O)c3,0.0
64592,CO-ADD:0227781,-2.08,c1(\C=N\Nc(cc2)ccc2C)c3c(sc1O)cccc3,0.0
64593,CO-ADD:0227556,-2.08,c1(c(Br)cc(cc1\C=N\NC(COc(cc2)ccc2C)=O)Br)OC(c3ccccc3)=O,0.0
64594,CO-ADD:0227218,-2.08,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C/c(ccc(c3I)OC)c3,0.0
64595,CO-ADD:0227247,-2.08,C(=O)(Nc(cc1)ccc1Cl)CC(=O)N\N=C/c2cccc(F)c2,0.0
64596,CO-ADD:0221710,-2.08,N1(CCCCCCCCCCCCCCCCCC)C(=O)c2c(c3C1=O)c(ccc2)ccc3,0.0
64597,CO-ADD:0221524,-2.08,N1(c2ccc(cc2)OC)C(=O)c3c(c4C1=O)c(ccc3)cc(Br)c4,0.0
64598,CO-ADD:0225190,-2.08,N12C(C=CC(C(=O)Nc3cccc(C)c3)=C1)=NN(CC(=O)Nc(cc4)ccc4C(OCC)=O)C2=O,0.0
64599,CO-ADD:0220959,-2.08,C(=N/NC(=O)c1ccccc1OC)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
64600,CO-ADD:0220339,-2.08,c1(cc(C)cc(I)c1O)\C=N\c(cc2)ccc2Cc(cc3)ccc3\N=C\c4cc(C)cc(I)c4O,0.0
64601,CO-ADD:0222223,-2.08,n1c2c(oc1c(cc3)ccc3C(C)(C)C)ccc(c2)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
64602,CO-ADD:0220151,-2.08,C(CNc(cc1)ccc1C)(=O)N\N=C(/C)\C=C\c2ccco2,0.0
64603,CO-ADD:0219209,-2.08,C(CCc1ccccc1)(NCCCCCC(O)=O)=O,0.0
64604,CO-ADD:0220095,-2.08,c(Nc1cccc(C)c1)(c2c3cccc2)c4c(n3)cccc4,0.0
64605,CO-ADD:0221919,-2.08,N1(Nc2cccc(Cl)c2)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
64606,CO-ADD:0221898,-2.08,N1(c2c(C)cccc2C)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
64607,CO-ADD:0219540,-2.08,c1(ccccc1NC(=O)c2ccc(cc2)F)C(OCC)=O,0.0
64608,CO-ADD:0219666,-2.08,C(=O)(N\N=C\c1ccccc1OCCCCC)CCSc(cc2)ccc2Cl,0.0
64609,CO-ADD:0219640,-2.08,C(=O)(N\N=C\c1cccc(Cl)c1)C(=O)Nc2ccccc2C,0.0
64610,CO-ADD:0219632,-2.08,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)NC(C)c2ccccc2,0.0
64611,CO-ADD:0218930,-2.08,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)Br)Nc2cccc(Cl)c2C,0.0
64612,CO-ADD:0219729,-2.08,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2C(C)C)CC(=O)N\N=C\c3ccccc3OCCCCC,0.0
64613,CO-ADD:0237417,-2.08,CCC(C)NC(=O)c1ccc(NC(=O)C2(CCCC2)c3ccccc3)cc1,0.0
64614,CO-ADD:0237420,-2.08,COc1cccc(c1)c2cc3c(Nc4cccnc4)nccc3[nH]2,0.0
64615,CO-ADD:0237265,-2.08,Nc1ncc(cc1c2nc3cc(Cl)cnc3[nH]2)c4cn[nH]c4,0.0
64616,CO-ADD:0237257,-2.08,CC(C)C(Oc1cccc2ccccc12)C(=O)O,0.0
64617,CO-ADD:0237178,-2.09,CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-],0.0
64618,CO-ADD:0232957,-2.09,N1(CNc(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=O)=C/c(cc3)ccc3C(C)C,0.0
64619,CO-ADD:0231501,-2.09,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3Br)OC)c3)c4ccc(cc4Cl)F,0.0
64620,CO-ADD:0230953,-2.09,C(C(=O)c1ccc(cc1)Cl)(C2c3ccccc3)=C(O)C(N2CCN(CC)CC)=O.Cl,0.0
64621,CO-ADD:0236703,-2.09,S(=O)(=O)(c1ccc(c2c1)OCCO2)N(CCc3ccccc3)CC(=O)N\N=C\c(cc4)ccc4OC,0.0
64622,CO-ADD:0232978,-2.09,N1(c2cccc3c2cccc3N4C(=O)c(c5C4=O)ccc(c5)c6oc(c7n6)cccc7)C(=O)c(c8C1=O)ccc(c8)c9oc(c%10n9)cccc%10,0.0
64623,CO-ADD:0229067,-2.09,C(=O)(c1ccc(cc1)F)Nc(cccc2C(=O)N\N=C\c(cc3)ccc3C#N)c2,0.0
64624,CO-ADD:0229535,-2.09,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3N\C=C(\C(C)=NN4c5ccc(c(C)c5)C)/C4=O,0.0
64625,CO-ADD:0233728,-2.09,c1([nH]nc(C(CC2)CCN2C(=O)c3cccc(CN)c3)c1)C(F)(F)F.Cl,0.0
64626,CO-ADD:0227669,-2.09,c1(COc2ccc(cc2Cl)Cl)n(CCC#N)c3c(cccc3)n1,0.0
64627,CO-ADD:0235999,-2.09,c1(cc(c2o1)cccc2)C(=O)Oc(ccc(c34)C=CC(=O)O3)c4,0.0
64628,CO-ADD:0235978,-2.09,[N+](=O)([O-])c1cc(ccc1OC)CSc2nnc(C)s2,0.0
64629,CO-ADD:0231595,-2.09,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\c3ccccc3Cl,0.0
64630,CO-ADD:0231658,-2.09,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c2ccc(cc2O)C,0.0
64631,CO-ADD:0234260,-2.09,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c3ccccc3Br,0.0
64632,CO-ADD:0233588,-2.09,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(=O)\C(=C/c(ccc(c34)OCO3)c4)\NC(c5ccccc5)=O)[N+](=O)[O-],0.0
64633,CO-ADD:0236372,-2.09,N1C(=O)\C(\SC1=S)=C\c(cc2OC)cc(c2OC(C)=O)Br,0.0
64634,CO-ADD:0236364,-2.09,S1(=O)(=O)c(cccc2)c2C(N(C)S(=O)(=O)c3ccc(cc3)C)=N1,0.0
64635,CO-ADD:0227916,-2.09,c(C(=O)Nc(cc1)ccc1C#N)(c(N)c(c23)cc(c(N)n2)C#N)s3,0.0
64636,CO-ADD:0229144,-2.09,N(=C\c(cc1)ccc1N(C)C)/NC(CCCCCC)=O,0.0
64637,CO-ADD:0229492,-2.09,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cccc3C(O)=O)c3,0.0
64638,CO-ADD:0229100,-2.09,C(c1ccccc1)(=O)Nc(cc2)ccc2C(=O)N\N=C\c(ccc(c3O)O)c3,0.0
64639,CO-ADD:0229855,-2.09,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)OCC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
64640,CO-ADD:0229926,-2.09,N(/c(cc1)ccc1NC(C)=O)=C\c(cc2)ccc2N(CC)CC,0.0
64641,CO-ADD:0220333,-2.09,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c5cc(C)c(cc5O)C,0.0
64642,CO-ADD:0225164,-2.09,C1(=N2)N(C=CN(c3ccc(cc3)Br)C1=O)C(N2CC(=O)Nc4ccc(cc4F)F)=O,0.0
64643,CO-ADD:0225903,-2.09,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)Nc4cc(OC)cc(OC)c4)C2=O,0.0
64644,CO-ADD:0226327,-2.09,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(=O)Nc4cccc(Cl)c4,0.0
64645,CO-ADD:0222262,-2.09,C(=C/c(cc1)ccc1N(CC)CC)(/C(=O)NN2c3ccc(cc3)C)\C2=O,0.0
64646,CO-ADD:0222636,-2.09,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2c(Br)cc(cc2Br)\C=N\c(cc3)ccc3N=Nc4ccccc4)c1,0.0
64647,CO-ADD:0221997,-2.09,S(=O)(=O)(Nc1ccccc1C)c2c(C)ccc(c2)C(=O)Nc3ccccc3C,0.0
64648,CO-ADD:0220370,-2.09,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(CNc3cccc(C)c3)=O,0.0
64649,CO-ADD:0221016,-2.09,C(=O)(Nc(cc1)ccc1C(C)=O)C(C(F)(F)F)C(F)(F)F,0.0
64650,CO-ADD:0222490,-2.09,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)C=O,0.0
64651,CO-ADD:0219129,-2.1,C(=O)(Nc1cccc(F)c1)C(NCCCCCCCC)=O,0.0
64652,CO-ADD:0222471,-2.1,c1(c(NCCCO)ccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
64653,CO-ADD:0219115,-2.1,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C(\CCCC)/CC,0.0
64654,CO-ADD:0219793,-2.1,n1c(c2ccc(cc2)Br)csc1N\N=C\c3ccccc3,0.0
64655,CO-ADD:0219168,-2.1,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
64656,CO-ADD:0219709,-2.1,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1NC(C)=O)C(=O)Nc2cccc(Cl)c2C,0.0
64657,CO-ADD:0219539,-2.1,C(=O)(N\N=C(/C)\CC(NCC=C)=O)c1cc(OC)cc(OC)c1,0.0
64658,CO-ADD:0232929,-2.1,c(C(OCC)=O)(c(cc(OC)c(c1)Br)c1n2CC(OC)=O)c2CN(CC3)CCO3,0.0
64659,CO-ADD:0230965,-2.1,N1(c(cc2)ccc2C(=O)Nc3ccccc3[N+](=O)[O-])C(=O)CCC1=O,0.0
64660,CO-ADD:0230950,-2.1,C(C(=O)c1ccc(cc1)C)(C2c3ccc(c(OC)c3)OC)=C(O)C(N2C)=O,0.0
64661,CO-ADD:0230933,-2.1,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c3ccc(cc3OC)OC,0.0
64662,CO-ADD:0232873,-2.1,N1(CCCCCC1=O)CP(O)(CCC(O)=O)=O,0.0
64663,CO-ADD:0230928,-2.1,[n+]1(c2cccc(Cl)c2)noc([O-])n1,0.0
64664,CO-ADD:0236817,-2.1,C(C#N)(C1c2ccccc2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
64665,CO-ADD:0236780,-2.1,N1(CCCc(cccc2)c12)C(=O)c3ccccc3C,0.0
64666,CO-ADD:0231062,-2.1,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)NCC(NCC)=O,0.0
64667,CO-ADD:0233240,-2.1,c1(ccccc1Nc2cccc(C)c2C)C(O)=O,0.0
64668,CO-ADD:0229339,-2.1,c1(c2ccco2)nc(n3c1\N=C\c(ccc4c(c(C)c5)cc(c5[N+](=O)[O-])C)o4)cccc3,0.0
64669,CO-ADD:0229679,-2.1,C1(C(=O)OCC(=O)c(ccc(c2Cl)Cl)c2)=Cc3c(OC1=O)cccc3,0.0
64670,CO-ADD:0234431,-2.1,N(CC(=O)c1ccc(cc1)Br)(c(ccc(c2)Br)c2C34OCCO3)C4=O,0.0
64671,CO-ADD:0234056,-2.1,N1(c2ccc(cc2)Br)C(=O)C=CC1=O,0.0
64672,CO-ADD:0231580,-2.1,n1(c2C)c(ncc2C(C)=O)cc(c3ccc(cc3)C)n1,0.0
64673,CO-ADD:0233464,-2.1,c1(N(CC2)CCO2)nc(N\N=C/c3cccc(OC)c3)nc(Nc(ccc(c45)cccc4)c5)n1,0.0
64674,CO-ADD:0235963,-2.1,N1(c2cccc(c2)[N+](=O)[O-])C(=O)C(C(C1=O)C(C)(c(c34)cccc3)c5c6cccc5)C46C,0.0
64675,CO-ADD:0234761,-2.1,c1(NC(c2ccccc2)=O)sc(c3c1C(NCC=C)=O)CCCC3,0.0
64676,CO-ADD:0234642,-2.1,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccco2)=O)Br)OC(=O)c3cccc(C)c3,0.0
64677,CO-ADD:0236088,-2.11,c1(S2)c(cc(c(OC(=O)NC3CCCCC3)c1Br)Cl)OC2=O,0.0
64678,CO-ADD:0234173,-2.11,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)cc(c4OC(=O)c5cccc(OC)c5)OC,0.0
64679,CO-ADD:0229166,-2.11,s1c(SCC(=O)Nc2cccc(cccc3)c23)nnc1SCC(=O)Nc4cccc(cccc5)c45,0.0
64680,CO-ADD:0229543,-2.11,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\NC(=O)CC(=O)N\N=C\c(ccc(c3[N+](=O)[O-])OC(=O)c4ccc(cc4)OC)c3,0.0
64681,CO-ADD:0227172,-2.11,c1(NCC(=O)N\N=C(\C)/c2ccccc2)c(Br)cc(cc1Br)Br,0.0
64682,CO-ADD:0229891,-2.11,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc(O)c(c3)Br)c3Br,0.0
64683,CO-ADD:0229161,-2.11,c1(\C(\CCC2)=N\OC(C)=O)c2oc(C(OCC)=O)c1C,0.0
64684,CO-ADD:0229470,-2.11,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3OC,0.0
64685,CO-ADD:0221868,-2.11,C(CCCCCCCCCCCCCCCCC)(=O)NCC(C)c1ccccc1,0.0
64686,CO-ADD:0221093,-2.11,[N+](=O)([O-])c(cccc1N2CCCC2=O)c1,0.0
64687,CO-ADD:0219055,-2.11,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)Nc2c(C)ccc(Cl)c2,0.0
64688,CO-ADD:0221487,-2.11,c1(Sc2ccc(cc2[N+](=O)[O-])C(F)(F)F)nnnn1c3ccccc3,0.0
64689,CO-ADD:0221453,-2.11,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
64690,CO-ADD:0220245,-2.11,n1c2c(oc1c3ccc(cc3)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-])cc(C)c(C)c2,0.0
64691,CO-ADD:0221138,-2.11,c(c1c(s2)CCCC1)(C3=O)c2NC(=S)N3c4ccccc4,0.0
64692,CO-ADD:0221134,-2.11,c12c(sc(COC(C)(C)C3)c13)NC(=S)NC2=O,0.0
64693,CO-ADD:0219423,-2.11,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)c3ccc(cc3)Cl,0.0
64694,CO-ADD:0219508,-2.11,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc2cccc(Br)c2,0.0
64695,CO-ADD:0222486,-2.11,[N+](=O)([O-])c(ccc(c1\C=N\c2cccc(Cl)c2Cl)O)c1,0.0
64696,CO-ADD:0220706,-2.11,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3I)nc(Nc(cc4)ccc4C)n1,0.0
64697,CO-ADD:0219778,-2.11,c1(OC)cc(OC)ccc1\C=N\NC(CCCc(cc2)ccc2OC)=O,0.0
64698,CO-ADD:0220653,-2.11,c1(Br)c(O)c(\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)cc(Br)c1O,0.0
64699,CO-ADD:0219567,-2.12,c1(C(=O)N\N=C\c2ccccc2OCc(cc3)ccc3Cl)c(O)cc(c4c1)cccc4,0.0
64700,CO-ADD:0219234,-2.12,C(COc(cc1)ccc1CCC)(=O)N\N=C\c2ccccc2OCCCCCC,0.0
64701,CO-ADD:0219191,-2.12,C(c1ccccc1)(=O)N\N=C\c(cc2)ccc2OCCCC,0.0
64702,CO-ADD:0230914,-2.12,C(=O)(c1ccc(cc1)F)Nc2cccc(CC)c2,0.0
64703,CO-ADD:0232947,-2.12,N1(CCCCC1)C(=O)COc(cc2)ccc2\C=N\c(cc3)ccc3c4ccc(cc4)\N=C\c(cc5)ccc5OCC(=O)N6CCCCC6,0.0
64704,CO-ADD:0230972,-2.12,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c3ccccc3Br)NC(c4ccccc4)=O,0.0
64705,CO-ADD:0231008,-2.12,N(/c(cc1)ccc1C)=C/c(cc2)ccc2OC(CCCCCCC(=O)Oc(cc3)ccc3\C=N/c(cc4)ccc4C)=O,0.0
64706,CO-ADD:0233108,-2.12,n1c(N)c(N)cc(N)c1N.Cl.Cl.Cl,0.0
64707,CO-ADD:0236459,-2.12,n(c1C)(nnc1C(=O)N\N=C(/CC2)\c3c(C2)cc(OC)cc3)c4nonc4N,0.0
64708,CO-ADD:0233633,-2.12,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Br)cc3Cl)c3O)c4ccc(cc4Cl)Cl,0.0
64709,CO-ADD:0234529,-2.12,S(c1ccccc1)(=O)(=O)c2cc(C)ccc2C,0.0
64710,CO-ADD:0234575,-2.12,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(CNc3cccc(C)c3)=O,0.0
64711,CO-ADD:0234583,-2.12,N(\C(=C/c1ccccc1OC)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
64712,CO-ADD:0227255,-2.12,C1(CCC(CSSCC2C3C(C(C)(C)C3)CCC(O4)(C)C4CC2)C(CC5(C)C)C5C6)C(O1)(C)C6,0.0
64713,CO-ADD:0229515,-2.12,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3cccc(N)c3,0.0
64714,CO-ADD:0237022,-2.12,OCC(C)(C)[C@@H](O)C(NC(C)CC(NCCC1=CC=CC=C1)=O)=O,0.0
64715,CO-ADD:0234947,-2.12,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(ccc(c2OCC)O)c2)[N+](=O)[O-])[N+](=O)[O-],0.0
64716,CO-ADD:0234993,-2.12,C(=O)(Oc1cccc(c1)\C=N\NC(=O)Cc2cccc(cccc3)c23)c4cccc(Br)c4,0.0
64717,CO-ADD:0233700,-2.12,c1([nH]nc(C(CC2)CCN2C(C)=O)c1)C(F)(F)F,0.0
64718,CO-ADD:0234423,-2.12,N(CC(=O)[O-])(c(cccc1)c1C23OCCO2)C3=O.[K+],0.0
64719,CO-ADD:0236438,-2.12,c1(SCC(=O)Nc2cccc(OC)c2)[nH]c(c3n1)cccc3,0.0
64720,CO-ADD:0234206,-2.12,c1(c(OC)cc(c(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c1)OC)[N+](=O)[O-],0.0
64721,CO-ADD:0233326,-2.12,C(=O)(Cc1ccccc1)c2ccc(cc2)OCC,0.0
64722,CO-ADD:0233310,-2.12,N(c1c(cccc1)NC2(C)c3ccccc3)=C(c4ccccc4)C2,0.0
64723,CO-ADD:0227902,-2.12,N1(C(COCC1=O)=O)c(cc(Oc(cc2)ccc2NC(C)=O)cc3[N+](=O)[O-])c3,0.0
64724,CO-ADD:0227320,-2.12,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cccc2OC(=O)c3cccc(F)c3)c2,0.0
64725,CO-ADD:0227999,-2.12,c(\C=N\NC(CNc(ccc(c12)cccc1)c2)=O)(c3c([nH]4)cccc3)c4,0.0
64726,CO-ADD:0229737,-2.12,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
64727,CO-ADD:0227287,-2.12,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(cc3)ccc3N(CC)CC,0.0
64728,CO-ADD:0227594,-2.12,c1(sc(c2n1)cccc2)c3cc(ccc3O)\N=C/c4cc(C)cc(Br)c4O,0.0
64729,CO-ADD:0221821,-2.12,[N+](=O)([O-])c(cc1)ccc1C(NCCSCCCCCCCCCCCCCCCCCC)=O,0.0
64730,CO-ADD:0220111,-2.12,C(=O)(c(cc1)ccc1C(=O)N(c2ccccc2)c3ccccc3)N(c4ccccc4)c5ccccc5,0.0
64731,CO-ADD:0221820,-2.12,[N+](=O)([O-])c1cccc(c1)\C=N/CCSCCCCCCCCCCCCCCCC,0.0
64732,CO-ADD:0221293,-2.13,S(=O)(=O)(Nc(cc1)ccc1C)c(cccc2[N+](=O)[O-])c2.O,0.0
64733,CO-ADD:0221561,-2.13,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3S(NC)(=O)=O,0.0
64734,CO-ADD:0221359,-2.13,C(=O)(Nc1ccccc1)NCN2CCCCC2.Cl,0.0
64735,CO-ADD:0222304,-2.13,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c(cc(Cl)cc5Cl)c5O,0.0
64736,CO-ADD:0219575,-2.13,C(=O)(Nc(cc1)ccc1C(C)C)C(NCCc2ccccc2)=O,0.0
64737,CO-ADD:0220093,-2.13,C1(c2ccco2)N(CCN1c3cccc(C)c3)c4cccc(C)c4,0.0
64738,CO-ADD:0222520,-2.13,c(cc(I)cc1I)(\C=N\c(ccc(c2Cl)OC)c2)c1O,0.0
64739,CO-ADD:0222140,-2.13,c1(OC)c(OC)cc(cc1OC)\C=N\NC(CNc2cccc(cccc3)c23)=O,0.0
64740,CO-ADD:0222106,-2.13,C(=O)(Nc(cc1)ccc1OCCCCC)C(OCC)=O,0.0
64741,CO-ADD:0220850,-2.13,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc(cc2)ccc2Cl)=O)O)c1,0.0
64742,CO-ADD:0218940,-2.13,N(c1ccccc1Br)C(CCC(=O)N\N=C\c2ccccc2F)=O,0.0
64743,CO-ADD:0221878,-2.13,C1(N(c2ccc(cc2)C)CCN1c3ccc(cc3)C)c4cccc(Cl)c4Cl,0.0
64744,CO-ADD:0219689,-2.13,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CCC(=O)Nc2c(Cl)ccc(Cl)c2)=O,0.0
64745,CO-ADD:0254629,-2.13,C(=CNC(N1)=O)(NC(=O)c(c2)cc(cc2NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)C1=O,0.0
64746,CO-ADD:0249222,-2.13,n1(CC)c2c(c(cc(cc3)\C=N\c(cc4)c(Br)cc4[N+](=O)[O-])c13)cccc2,0.0
64747,CO-ADD:0249000,-2.13,N1(CCO)C(=O)C2C(C3C(C4)C4C2C=C3)C1=O,0.0
64748,CO-ADD:0137589,-2.13,CN1C=C(NC(C2=CC(NC(C3=CC=C(/C=C/C4=CC5=NON=C5C=C4)C=C3)=O)=CN2C)=O)C=C1C(NCCN6CCC(OCCOC)CC6)=O.S(O)(O)(=O)=O,0.0
64749,CO-ADD:0256512,-2.13,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3nnc(C)s3,0.0
64750,CO-ADD:0253871,-2.13,C(=C/c(cc1I)cc(c1O)I)(/C2=O)\C(=O)NC(=S)N2,0.0
64751,CO-ADD:0256217,-2.13,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)cc(c3Oc4ccc(cc4[N+](=O)[O-])C(F)(F)F)OC)nc(Nc(cc5)ccc5F)n1,0.0
64752,CO-ADD:0250447,-2.13,c(C=O)(c1)c(c2ccccc2)nn1CC(O)=O,0.0
64753,CO-ADD:0252914,-2.13,S(=O)(=O)(c1ccc(cc1Br)Br)n2ccnc2C,0.0
64754,CO-ADD:0247916,-2.13,C(=N/NC(CNC(=O)c1ccccc1Cl)=O)(/c2c(N3Cc4ccccc4)cccc2)\C3=O,0.0
64755,CO-ADD:0253048,-2.13,C(C#N)(C(OCC)=O)(C1CCCCC1=O)C(C#N)C(OCC)=O,0.0
64756,CO-ADD:0255172,-2.13,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(=O)Nc(ccc(c56)c7c(cccc7)o5)c6)c3,0.0
64757,CO-ADD:0254465,-2.13,C(=C\c1cccc(N)c1)/C(=O)c2cccc(N)c2,0.0
64758,CO-ADD:0252463,-2.13,C(=O)(N(CC1)CCO1)c2c(C)cc(c(F)c2)F,0.0
64759,CO-ADD:0255209,-2.13,N1(c2ccccc2OC)C(=O)C(CC1=O)S\C(\NCc(ccc(c34)OCO3)c4)=N\c5ccccc5,0.0
64760,CO-ADD:0254427,-2.14,C(/SC)(\Nc(cc1)ccc1OC)=N/c(cc2)ccc2OC,0.0
64761,CO-ADD:0156508,-2.14,[O-][N+](C1=CC(/C(NC2=CC(C)=CC=C2)=N\OC(C3=CC([N+]([O-])=O)=CC=C3)=O)=CC=C1)=O,0.0
64762,CO-ADD:0156072,-2.14,O=S(N=C1NC2=CC=C(C=C2)C(OC)=O)(C3=C1C=CC([N+]([O-])=O)=C3)=O,0.0
64763,CO-ADD:0156080,-2.14,O=C(COC(C(Cl)=C1)=CC=C1Cl)N/N=C/C2=CC(OC)=C(OC)C(OC)=C2,0.0
64764,CO-ADD:0156104,-2.14,[O-][N+](C1=CC=CC=C1OCC(N/N=C2C(NC3=C/2C=CC=C3)=O)=O)=O,0.0
64765,CO-ADD:0156453,-2.14,BrC1=CC=C(O)C(/C=N/C2=CC=C3OC(C4=CC=CC=C4C)=NC3=C2)=C1,0.0
64766,CO-ADD:0156085,-2.14,[O-][N+](C1=C(Cl)C=CC(C(OC/2=O)=NC2=C\C3=CC=C(C(OCC)=C3)OC(C)=O)=C1)=O,0.0
64767,CO-ADD:0250158,-2.14,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2cccc(F)c2)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
64768,CO-ADD:0163935,-2.14,N1(C(C)=O)C(=O)CC(N(C(C)=O)c(ccc(c2)[N+](=O)[O-])c12)C,0.0
64769,CO-ADD:0163773,-2.14,C(COc1ccc(cc1C)Br)(=O)N\N=C(/C)\CC(=O)NCc(cc2)ccc2Cl,0.0
64770,CO-ADD:0163979,-2.14,C(=O)(Nc(cc1)ccc1I)C\C(\C)=N\NC(COc(cc2)ccc2OC)=O,0.0
64771,CO-ADD:0250351,-2.14,n1(N)c(C)nnc1N\N=C\c(c2)c(N3CCC(CC3)C)cc(N4CCC(CC4)C)c2[N+](=O)[O-].Cl.Cl,0.0
64772,CO-ADD:0163707,-2.14,c1(cc(F)c(cc1Cl)F)C(=O)Nc(cc2)ccc2OCCCCC,0.0
64773,CO-ADD:0250527,-2.14,n1(C)c(SCc(c2c([nH]3)cccc2)c3)nnc1c4ccccc4,0.0
64774,CO-ADD:0250063,-2.14,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(=O)NCc3ccccc3,0.0
64775,CO-ADD:0154447,-2.14,O=C1OC(C2=CC=C(C=C2)[N+]([O-])=O)=N/C1=CC3=CC=CC=C3,0.0
64776,CO-ADD:0154453,-2.14,O=C(N/N=C/CC1=CC=CC=C1)C2=CC(C=CC=C3)=C3N2CC4=CC=CC=C4,0.0
64777,CO-ADD:0255786,-2.14,C1(C(=O)OCC(C)C)=C(C)NC(NC1c2ccccc2OCCCC)=O,0.0
64778,CO-ADD:0154397,-2.14,O=C(CC1=CNC2=CC=CC=C21)N/N=C(C)/CC,0.0
64779,CO-ADD:0257104,-2.14,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
64780,CO-ADD:0255817,-2.14,N1(c(cc2)ccc2\C(\O)=C(\C#N)/C(OCC)=O)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
64781,CO-ADD:0255797,-2.14,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(NC1c(cc3OC)cc(c3O)Br)=O,0.0
64782,CO-ADD:0257167,-2.14,N1C(=O)CC(S\C(\NCc(cc2)ccc2OC)=N\c3ccccc3)C1=O,0.0
64783,CO-ADD:0250452,-2.14,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3)ccc3OCc4c(cccc4Cl)F,0.0
64784,CO-ADD:0255613,-2.14,N1(c2cccc(cccc3)c23)C(=O)c(c4C1=O)ccc(C(=O)c5ccc(cc5)Oc(cc6)ccc6C(O)=O)c4,0.0
64785,CO-ADD:0256783,-2.14,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(c3ccccc3)=O)F,0.0
64786,CO-ADD:0256000,-2.14,C(C(OCC)=O)(C(c1ccc(c2c1)OCO2)C3=C(N4c5cccc(C)c5)CCCC3=O)=C4N,0.0
64787,CO-ADD:0161171,-2.14,c(\C=N\NC(CNC(=O)c1ccco1)=O)(c(C)c(Br)c(c2C)O)c2O,0.0
64788,CO-ADD:0161395,-2.14,N1(c(cc2)ccc2C(OCCCCCCCC)=O)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
64789,CO-ADD:0253419,-2.14,S(c1ccccc1)(=O)(=O)N(c2cccc(Br)c2)CC(=O)N\N=C\c(c(O)ccc3[N+](=O)[O-])c3,0.0
64790,CO-ADD:0162070,-2.14,C(C)(C1)(CN(CCN12)CC3(C2)C)C3=O,0.0
64791,CO-ADD:0253126,-2.14,n1(c2ccccc2)c(COc(cc3)ccc3C4CCCCC4)nnc1SCC(=O)c5ccc(cc5)Br,0.0
64792,CO-ADD:0252731,-2.14,C(CN1CCCC1)#CC2(CCCCC2)O.Cl,0.0
64793,CO-ADD:0252375,-2.14,n1(CCCC)c2c(c(C)c1\C=N\NC(=O)c(ccc3c4c(C)c([nH]3)C)c4)cccc2,0.0
64794,CO-ADD:0248123,-2.14,n1(c(C)cc(C)n1)C(C(O)=O)CC(O)=O,0.0
64795,CO-ADD:0249644,-2.14,c12c(non1)N\C(=N/N=C/c(cc(OCO3)c3c4)c4Br)\C(Nc5cccc(C)c5C)=N2,0.0
64796,CO-ADD:0254844,-2.14,N12C(S\C(=C\c3ccco3)\C1=O)=C(C(c4ccco4)C(C(OC)=O)=C2N)C(OCC)=O,0.0
64797,CO-ADD:0249494,-2.14,c1(O)c(Br)cc(cc1Br)\N=C\c(cc2)ccc2NC(C)=O,0.0
64798,CO-ADD:0252246,-2.14,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c5ccc(c6c5)cccc6)n4.Br,0.0
64799,CO-ADD:0249649,-2.14,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2OC)cc(c2OC)Br,0.0
64800,CO-ADD:0254692,-2.14,N1(Nc2ccccc2)C3(CCCCC3)SCC1=O,0.0
64801,CO-ADD:0247631,-2.14,[n+]1(Cc(cc2)ccc2C(O)=O)c(c3ccccc3)csc1Nc4ccccc4.[Br-],0.0
64802,CO-ADD:0255035,-2.15,C(=O)(NNC(=O)c1ccccc1I)C(=O)NC(C)(C)C,0.0
64803,CO-ADD:0249636,-2.15,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=C(\C3=O)/N=C(O3)c4ccc(cc4)C,0.0
64804,CO-ADD:0161614,-2.15,C(CN(C)C(C)(C)C)#Cc(cc1)ccc1C#CCN(C)C(C)(C)C.Cl.Cl,0.0
64805,CO-ADD:0160249,-2.15,O=C(O)[C@@]1([H])NC(C2=CC=C(Cl)C=C2)SC1,0.0
64806,CO-ADD:0254006,-2.15,C(C)(NC(OCc(cc1)ccc1[N+](=O)[O-])=O)(C(F)(F)F)C(F)(F)F,0.0
64807,CO-ADD:0257014,-2.15,N1(c2ccc(c(Cl)c2)C)C(c3ccc(cc3)OCCCC)Nc(c4C1=O)cccc4,0.0
64808,CO-ADD:0252397,-2.15,c1(N2CCC(CC2)C)nc(N\N=C\c(cc3)ccc3F)nc(Nc4cccc(C)c4C)n1.Cl,0.0
64809,CO-ADD:0252383,-2.15,c(Nc1ccc(cc1OC)OC)(n2)nc(nc2NC3CCCCC3)NC4CCCCC4,0.0
64810,CO-ADD:0253084,-2.15,C(/C#N)(=C(\N[H])/C(Cl)(Cl)Cl)\C(=O)Nc1ccccn1,0.0
64811,CO-ADD:0252745,-2.15,C1(=CC(C)=C(C2=O)C#N)N2CCN1c3ccc(cc3)NC(C)=O,0.0
64812,CO-ADD:0247999,-2.15,c12c(nnc(SCc3ccccc3Cl)n1)c4c(cccc4)n2CC=C,0.0
64813,CO-ADD:0248184,-2.15,c1(SCC(NCCc(ccc(c2OC)OC)c2)=O)sc3c(ccc(c3)\N=C\c4ccccc4O)n1,0.0
64814,CO-ADD:0247929,-2.15,N1(c2ccc(cc2)I)C(=O)C(C3C1=O)C(C=C4)C5C(C5)C34,0.0
64815,CO-ADD:0154827,-2.15,FC(C(F)(F)F)(C(NCCCCCCCCCCCCCCCCCC)=O)OC(F)(F)C(F)(F)C(F)(F)F,0.0
64816,CO-ADD:0154935,-2.15,N#CC1=C(N)OC(C)=C(C(OCC)=O)C1C2=CC(I)=CC=C2,0.0
64817,CO-ADD:0250415,-2.15,n1(c(C)nn2)c2c(nc(non3)c13)Nc(cc4)ccc4I,0.0
64818,CO-ADD:0253249,-2.15,s1c(\C=N\c(cc2)ccc2Nc3ccccc3)ccc1Br,0.0
64819,CO-ADD:0163331,-2.15,n1c(c2ccc(cc2)Br)csc1Nc(cc3)ccc3OCC.Br,0.0
64820,CO-ADD:0163747,-2.15,C(=O)(N\N=C\c1ccccc1OCCCCC)c2ccc(cc2)C,0.0
64821,CO-ADD:0253201,-2.15,C1(C(=O)OC2CCCCCCC2)=C(C)NC(NC1c3cccc(Oc4ccccc4)c3)=O,0.0
64822,CO-ADD:0163359,-2.15,c1(\C=N\NC(COc2ccc(cc2Br)OC)=O)cc(Br)ccc1OC,0.0
64823,CO-ADD:0255771,-2.15,C1(C(=O)OC2CCCCC2)=C(C)NC(=O)NC1c(cc3)ccc3N(CC)CC,0.0
64824,CO-ADD:0253855,-2.15,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc2ccc(cc2C)C,0.0
64825,CO-ADD:0253159,-2.15,S(=O)(=O)(N1CCCCCC1)c(ccc(c2C(=O)Oc(cc3)ccc3Cl)Cl)c2,0.0
64826,CO-ADD:0250352,-2.15,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)NCC(C)C,0.0
64827,CO-ADD:0250542,-2.15,N1(CC(O)=O)C(=O)\C(\SC1=S)=C\c2c(C)cc(cc2C)C,0.0
64828,CO-ADD:0250249,-2.15,C(Cl)(\C(=C(/C#N)\C#N)\c(c12)cccc1)=C2N3CCCCC3,0.0
64829,CO-ADD:0255678,-2.15,C(=O)(N\N=C/c1cccc(cccc2)c12)C(c3ccccc3)c4ccccc4,0.0
64830,CO-ADD:0253331,-2.15,c1(N\N=C/c2ccccc2Cl)nc(C)cc(C)n1,0.0
64831,CO-ADD:0162537,-2.15,c1(\N=C\c(ccc2c3ccc(cc3Cl)[N+](=O)[O-])o2)n4c(nc1c5ccc(cc5Cl)Cl)cccc4,0.0
64832,CO-ADD:0256105,-2.16,c1(N(C)C)nc(N\N=C/c(ccc2c3ccc(cc3Cl)[N+](=O)[O-])o2)nc(Nc(cc4)ccc4F)n1.Cl,0.0
64833,CO-ADD:0250243,-2.16,N1(c2ccc(cc2)F)C(=O)C(C3C1=O)C4C=CC3CC4,0.0
64834,CO-ADD:0154516,-2.16,O=C(C1=CC=CC2=C1C=CC=C2)N/N=CC3=CNC4=CC=CC=C43,0.0
64835,CO-ADD:0162086,-2.16,c1(NC(=O)CN(CC2)CCO2)c3c(cccc3)nc(CCCC)c1CCC,0.0
64836,CO-ADD:0161771,-2.16,c1(\C=N\NC(COc(cc2)ccc2I)=O)c(ccc(cccc3)c13)OCc4ccccc4,0.0
64837,CO-ADD:0161204,-2.16,S(=O)(=O)(c1ccc(cc1)N\C=C(/C(=O)NC(N2)=S)\C2=O)N3CCCCC3,0.0
64838,CO-ADD:0253629,-2.16,S1(=O)(=O)c(cccc2)c2C(N(C)NC(COc3ccccc3)=O)=N1,0.0
64839,CO-ADD:0253820,-2.16,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C/c(cc3)ccc3I,0.0
64840,CO-ADD:0161220,-2.16,n1c(c(cc2)ccc2[N+](=O)[O-])[nH]c(c3ccccc3)c1c4ccccc4,0.0
64841,CO-ADD:0248092,-2.16,c1(NC(CSC2=NCCS2)=O)sc(c3c1C#N)CCCC3,0.0
64842,CO-ADD:0247919,-2.16,N(c1ccc(c(C)c1)C)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
64843,CO-ADD:0247904,-2.16,C(C(OCCCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c4c3)OCO4,0.0
64844,CO-ADD:0247560,-2.16,C1(C2c3ccccc3Cl)=C(CC(c4ccccc4)CC1=O)NC(C)=C2C#N,0.0
64845,CO-ADD:0249522,-2.16,n1(nnc(C(=O)N\N=C\c(ccc(c2)N(CC)CC)c2O)c1CN(CC)CC)c3nonc3N,0.0
64846,CO-ADD:0252957,-2.16,S(CCCCCCCCCC)(=O)(=O)Nc(cc1)ccn1,0.0
64847,CO-ADD:0249700,-2.16,N(C(=O)\C(\S1)=C/c(cc2)ccc2Br)=C1N3CCCCCC3,0.0
64848,CO-ADD:0247428,-2.16,c1(cccc2SCCOC(C)=O)c2cccc1SCCOC(C)=O,0.0
64849,CO-ADD:0255133,-2.16,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)NCc4ccccc4,0.0
64850,CO-ADD:0254843,-2.16,C(/C1)(=C\c(ccc(c2OC)OCc3ccccc3)c2)\C(=O)\C(\CN1CCC)=C\c(ccc(c4OC)OCc5ccccc5)c4,0.0
64851,CO-ADD:0249389,-2.16,c1(C#N)c(cccc2)c2n(C)c1COc(cc3)ccc3[N+](=O)[O-],0.0
64852,CO-ADD:0252811,-2.16,N(CN(CC1)CCO1)(N=C(N2c3ccccc3)c4ccc(c(OC)c4)OC)C2=S,0.0
64853,CO-ADD:0249039,-2.16,C(C#N)(C1c2ccc(cc2)CC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC.C(=O)O,0.0
64854,CO-ADD:0249698,-2.16,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C\c2cccc(OC)c2OC)c3ccccc3[N+](=O)[O-],0.0
64855,CO-ADD:0254773,-2.16,N1(Cc2ccccc2)C(=O)C(C3C1=O)C(C(C4C(N5Cc6ccccc6)=O)C5=O)C(=C(C(=O)Oc7ccccc7)C34C)C,0.0
64856,CO-ADD:0249298,-2.16,N1(c2ccccc2C)C(=O)\C(\C=C1c3ccccc3)=C\c(cc4)ccc4Br,0.0
64857,CO-ADD:0248048,-2.16,S(=O)(=O)(c1c(Cl)ccc(Cl)c1)n(ccn2)c2,0.0
64858,CO-ADD:0247576,-2.16,C(=O)(c(cc1)ccc1C(=O)Nc2cccc(n2)NC(=O)c(cc3)ccc3C(=O)N(C(C)C)C(C)C)N(C(C)C)C(C)C,0.0
64859,CO-ADD:0249595,-2.16,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)sc3c(ccc(c3)\N=C\c(cc(I)cc4I)c4O)n1,0.0
64860,CO-ADD:0160234,-2.16,N#C/C(C(OCC)=O)=N\NC1=C(OC)C=CC(C(NC2=C(Cl)C=CC(Cl)=C2)=O)=C1,0.0
64861,CO-ADD:0155431,-2.16,ClC1=CC(C2=CSC(NC(C=C3)=CC=C3Br)=N2)=CC=C1Cl,0.0
64862,CO-ADD:0155548,-2.16,[O-][N+](C(N=N1)=NN1C/C(C)=N/NC(C2=CC=CC([N+]([O-])=O)=C2)=O)=O,0.0
64863,CO-ADD:0256039,-2.16,c1(nn(cc1I)C)C(=O)n2cc(cn2)Br,0.0
64864,CO-ADD:0250741,-2.17,S(=O)(=O)(N1CCCC1)c2c(C)ccc(c2)C(=O)Nc3cccc(C)c3,0.0
64865,CO-ADD:0250208,-2.17,N1(CC(CC1C(=O)Nc2c(C)cc(cc2C)I)O)C(=O)Oc3ccccc3,0.0
64866,CO-ADD:0248102,-2.17,c12c(cccc1[N+](=O)[O-])C(N(CCCC(=O)Nc3nnc(C)s3)C2=O)=O,0.0
64867,CO-ADD:0253043,-2.17,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3OC)cc(c3O)I)\N2,0.0
64868,CO-ADD:0247536,-2.17,n1(Cc2ccccc2)c(cccc3)c3c(SC)c1CC(=O)Nc(cc4)ccc4Cl,0.0
64869,CO-ADD:0154943,-2.17,[O-][N+](C1=NN([C@@H]2[C@H]3CO[C@H](O3)[C@](C2)(O)N4)C4=C1[N+]([O-])=O)=O,0.0
64870,CO-ADD:0154767,-2.17,N#C/C(C1=NC2=CC=C(C)C=C2N1)=C\C3=CC=C(C=C3)N4CCOCC4,0.0
64871,CO-ADD:0163964,-2.17,c1(Cl)c(C)ccc(c1)NC(CSCc2ccccc2Cl)=O,0.0
64872,CO-ADD:0250108,-2.17,c1(SCC(OCC(=O)Nc(cccc2C(OC)=O)c2)=O)nc(C)cc(C)n1,0.0
64873,CO-ADD:0163780,-2.17,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2cccc(Br)c2,0.0
64874,CO-ADD:0253322,-2.17,C1(C(C)(C)N(C(=S)S1)C)N(C(c2ccc(cc2)Cl)C(C3C(N4c5ccc(cc5)OC)=O)C4=O)O3,0.0
64875,CO-ADD:0253722,-2.17,n1(CC(=O)Nc2ccccc2[N+](=O)[O-])nnnc1N,0.0
64876,CO-ADD:0163904,-2.17,N1(c2nccc(Cl)c2)C(=O)C(C3C1=O)C4C5C(C5)C3C=C4,0.0
64877,CO-ADD:0253623,-2.17,n1c(c2)c([nH]c1c3ccc(cc3)NC(=O)c4ccccc4Cl)ccc2C(c5ccccc5)=O,0.0
64878,CO-ADD:0255549,-2.17,c12c(nnc(N\N=C(\C)/CCC)n1)c(c3[nH]2)cccc3C,0.0
64879,CO-ADD:0250565,-2.17,C1(C#N)(C#N)C(c2ccccc2C(F)(F)F)C(C3)C(C(C#N)=C1N)=CCN3CCC,0.0
64880,CO-ADD:0256372,-2.17,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(c(O)ccc3[N+](=O)[O-])c3,0.0
64881,CO-ADD:0257093,-2.17,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4Br)cc(c4OCc(cc5)ccc5C)Br)\C1=O,0.0
64882,CO-ADD:0256189,-2.17,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc(c3OCC)OCc4ccccc4)c3)\N2CC=C,0.0
64883,CO-ADD:0250387,-2.17,n1c(N2CCCCC2)c(Nc3c(OC)ccc(OC)c3)nc(non4)c14,0.0
64884,CO-ADD:0162951,-2.17,N1(c2cccc(OC(C)=O)c2)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
64885,CO-ADD:0250427,-2.17,n12c(S\C(=C\c3c[nH]nc3c4ccccc4)\C1=O)nc(cc(C)c(C)c5)c25,0.0
64886,CO-ADD:0161355,-2.17,C(C(OCC)=O)(=C(CSc1nc(C)cc(C)c1C#N)OC(=C2C#N)N)C2c3ccccc3Br,0.0
64887,CO-ADD:0250252,-2.17,N1(c2ccc(cc2)I)C(=O)C(C(C1=O)C34C(OC)OC)C(c(c35)cccc5)c(c46)cccc6,0.0
64888,CO-ADD:0161420,-2.17,S(=O)(=O)(c(ccc(c1C(=O)Oc(cccc2NC(c3ccccc3)=O)c2)Cl)c1)N(CC4)CCO4,0.0
64889,CO-ADD:0253361,-2.17,N1(c2ccc(cc2)I)C(=O)c3c(cc(cc3)F)C1=O,0.0
64890,CO-ADD:0162980,-2.17,S(=O)(=O)(Oc(cc1)ccc1\C=N\NS(=O)(=O)c2ccc(cc2)C)c3cccc(cccc4)c34,0.0
64891,CO-ADD:0161400,-2.18,N1(c2cccc(C(C)=O)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)OCC(c4ccccc4)=O,0.0
64892,CO-ADD:0162945,-2.18,n1(c2ccccc2)nc(c(\C=N\NC(CSCc(cc3)ccc3Br)=O)c1Cl)C,0.0
64893,CO-ADD:0253075,-2.18,c1([nH]c(c2n1)cccc2)Sc3ccc(\C=N\NC(=O)c4ccco4)o3,0.0
64894,CO-ADD:0248284,-2.18,c1(ccc(cc1F)F)C(=O)Nc(cc(cc2Sc3ccccc3)NC(=O)c4ccc(cc4F)F)c2C,0.0
64895,CO-ADD:0248228,-2.18,N1(C=CC(=NC1=S)O)C2OC(C(OC(C)=O)C2OC(C)=O)COC(C)=O,0.0
64896,CO-ADD:0252366,-2.18,c1(C(=O)Nc2ccccc2C)c(Cl)c3c(cccc3)s1,0.0
64897,CO-ADD:0252909,-2.18,n(Cc1ccc(cc1Cl)Cl)(c2c(c3\C=C(/C#N)\c4[nH]c(c5n4)ccc(C)c5)cccc2)c3,0.0
64898,CO-ADD:0248873,-2.18,c1(cc(F)c(cc1Cl)F)C(=O)Oc2ccc(cc2OC)\C=N/NC(N)=S,0.0
64899,CO-ADD:0248954,-2.18,c1(ccc(C(=O)Nc2cccc(OC)c2)o1)C(c3ccccc3)=O,0.0
64900,CO-ADD:0249176,-2.18,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\C=C\c(cc3)ccc3N(C)C,0.0
64901,CO-ADD:0247500,-2.18,C1(C)(OCCO1)CC(=O)N\N=C\c2ccccc2OCc3ccccc3,0.0
64902,CO-ADD:0247494,-2.18,C1(c2ccccc2C)(c3ccccc3C)CC1C(=O)Nc(cc4)ccc4C,0.0
64903,CO-ADD:0252521,-2.18,S(C)(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)N\N=C(/C)\c2ccc(cc2)OCC,0.0
64904,CO-ADD:0249307,-2.18,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)Nc2nnc(CC)s2)Cl)c1,0.0
64905,CO-ADD:0249021,-2.18,c1(cc(Br)cc(\C=N/n(c2)cnn2)c1OCc3ccc(cc3Cl)Cl)[N+](=O)[O-],0.0
64906,CO-ADD:0252870,-2.18,c1(N2CCC(CC2)C)nc(N\N=C\c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3O)nc(Nc4cccc(C)c4C)n1.Cl,0.0
64907,CO-ADD:0249496,-2.18,N(/c(cc1)ccc1c2ccc(cc2)\N=C\c(cc3)ccc3N(C)C)=C\c(cc4)ccc4N(C)C,0.0
64908,CO-ADD:0252260,-2.18,C(=N/c1ccccn1)(/S\C(\C2=O)=C\c3ccccc3)\N2c4ccccc4,0.0
64909,CO-ADD:0254655,-2.18,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c(cc5)ccc5c6ccccc6)n4.Br,0.0
64910,CO-ADD:0249079,-2.18,s1c(c2ccc(cc2)Br)nnc1NC(=O)c3cccs3,0.0
64911,CO-ADD:0254520,-2.18,S(=O)(=O)(c1ccc(cc1)C)Oc2ccccc2\C=C(\C3=O)/N=C(O3)c(cc4)ccc4C(C)(C)C,0.0
64912,CO-ADD:0157723,-2.18,O=C(COC1=CC=CC=C1C)N/N=C/C2=CC(Br)=C(OC)C=C2,0.0
64913,CO-ADD:0158115,-2.18,O=S(N(CC(N/N=C/C1=CC=C(C([N+]([O-])=O)=C1)N(CC)CC)=O)C(C=CC=C2)=C2OC)(C3=CC=CC=C3)=O,0.0
64914,CO-ADD:0156896,-2.18,[O-][N+](C1=CC=C(C(Cl)=C1)C2=CC=C(/C=N/C3=CC(Cl)=C(Cl)C=C3)O2)=O,0.0
64915,CO-ADD:0137614,-2.18,CC(C)CCC1=C(C(NCCCN(C)C)=O)N=C(NC(C2=CC(NC(C3=CC(NC(C4=CN=C(C=CC=C5)C5=C4)=N)=CN3C)=O)=CN2C)=O)S1.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
64916,CO-ADD:0250075,-2.18,c1(SCC(NCCCC)=O)sc2c(ccc(c2)NC(=O)c(cc3)ccc3C(C)(C)C)n1,0.0
64917,CO-ADD:0255386,-2.18,[N+](=O)([O-])c1c(Cl)ccc(c1)c2ccc(\C=N\NC(c(cc3)ccn3)=O)o2,0.0
64918,CO-ADD:0253677,-2.18,C1(c2ccc(c(OC)c2)OC(C)=O)N(c3ccccc3)CCN1c4ccccc4,0.0
64919,CO-ADD:0256057,-2.18,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c4ccccc4)nc(Nc(cc5)ccc5C)n1.Cl,0.0
64920,CO-ADD:0254039,-2.18,C(/C#N)(\C(N)=O)=C(\C)/c1cccs1,0.0
64921,CO-ADD:0256305,-2.18,C1(C(OCCSC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OC)=O,0.0
64922,CO-ADD:0256274,-2.19,c(C#N)(c(\C(\C#N)=C\c(cc1)ccc1SC)nn2c3ccccc3)c2N,0.0
64923,CO-ADD:0155773,-2.19,S=C(N1C2=CC=CC=C2)N(C3=CC=CC=C3)C(C1CC(C4=CC=C(Br)C=C4)=O)=O,0.0
64924,CO-ADD:0156261,-2.19,ClC1=CC(/N=C/C2=C(O)C=CC(Br)=C2)=CC=C1OC,0.0
64925,CO-ADD:0155805,-2.19,O=C(NN)C1C2C1CCCC2,0.0
64926,CO-ADD:0156393,-2.19,[O-]/[N+](C(C)(CCCC1)C1=O)=C\C2=CC=CC=C2F,0.0
64927,CO-ADD:0156090,-2.19,O=C(N/N=C/C1=CC=CC2=C1C=CC=C2)/C(NC(C3=CC=CC=C3)=O)=C\C4=CC=CS4,0.0
64928,CO-ADD:0156122,-2.19,O=C(OC1=C(C=CC=C1)/C=N/C2=CC=CC(C)=C2)C(C(Cl)=C3)=CC=C3Cl,0.0
64929,CO-ADD:0256899,-2.19,C1(C(F)(F)F)(C(F)(F)F)CN1OC(C)(C(N)=O)C(N)=O,0.0
64930,CO-ADD:0163336,-2.19,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2cccs2,0.0
64931,CO-ADD:0163720,-2.19,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2ccc(cc2C)Cl,0.0
64932,CO-ADD:0255672,-2.19,C(CN(CC1)CCN1C)#CC(C)(C)OC(C)=O,0.0
64933,CO-ADD:0255728,-2.19,C(=O)(c1ccco1)Nc2ccccc2C#Cc3ccccc3,0.0
64934,CO-ADD:0163436,-2.19,c1(c(OC)cc(c(\C=N\NC(COc2ccc(cc2Br)Cl)=O)c1)OC)[N+](=O)[O-],0.0
64935,CO-ADD:0256831,-2.19,n1c2c(oc1c(cc3)ccc3C(=O)N(C4CCCCC4)C5CCCCC5)cccc2,0.0
64936,CO-ADD:0257008,-2.19,C(=O)(Nc(cc(C)cc1C)c1)C(=O)NC2CC2,0.0
64937,CO-ADD:0250455,-2.19,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c4cccc(c4)OCc5cccc(cccc6)c56)\C1=O)=NC(C)=C2C(OCC)=O,0.0
64938,CO-ADD:0255734,-2.19,S1(=O)(=O)c(cccc2)c2C(NN(C(OCC)=O)S(=O)(=O)c3ccc(c4c3)cccc4)=N1,0.0
64939,CO-ADD:0255560,-2.19,c1(NC(CSc2oc(c3n2)cccc3)=O)sc(c(ccc4C(OC)=O)n1)c4,0.0
64940,CO-ADD:0255927,-2.19,N1(CCC(c(cccc2)c12)=O)C(=O)c3cccs3,0.0
64941,CO-ADD:0250437,-2.19,C(=C/c(cc1)ccc1OCc2c(cccc2Cl)F)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
64942,CO-ADD:0253678,-2.19,C1(=S)N(c2ccc(cc2)OC)C3(\C(=N\c4cccc(Cl)c4)\N1)CCC(CC3)C,0.0
64943,CO-ADD:0253695,-2.19,N(C(=O)C(CC)C(N1)=O)=C1SCC(=O)NCc2ccccc2,0.0
64944,CO-ADD:0256045,-2.19,n1(N)c(C)nnc1N\N=C\c(ccc2c3ccc(cc3)Br)o2.Cl.Cl,0.0
64945,CO-ADD:0249930,-2.19,C(C(OCC)=O)(=C(C)OC(=C1C#N)N)C1c2ccco2,0.0
64946,CO-ADD:0256619,-2.19,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C(/CCC2)\C2C(OCC)=O)c3c(OC)ccc(OC)c3,0.0
64947,CO-ADD:0256441,-2.19,C(=O)(N\N=C\c(cc1)ccc1OCC)c2ccc(c(OC)c2)OC,0.0
64948,CO-ADD:0163017,-2.19,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3cccc(Cl)c3,0.0
64949,CO-ADD:0162973,-2.19,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c2ccccc2Cl,0.0
64950,CO-ADD:0256609,-2.2,C(=N\N=C(\C1=O)/c2c(N1)ccc(c2)[N+](=O)[O-])(/C3=O)\c4c(N3)ccc(c4)[N+](=O)[O-],0.0
64951,CO-ADD:0161717,-2.2,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(cc(Br)cc4I)c4O,0.0
64952,CO-ADD:0161837,-2.2,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c2cc(Cl)ccc2O)nc3Nc(cc4)ccc4OC)n3,0.0
64953,CO-ADD:0161901,-2.2,N1(CNc2cc(C)ccc2C)C(=O)\C(\SC1=S)=C/c(cc3)ccc3C(C)C,0.0
64954,CO-ADD:0248225,-2.2,C(C(OCC)=O)(C1c2ccc(cc2)SC)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
64955,CO-ADD:0253111,-2.2,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(Cl)nc2Nc(cc3)ccc3C(C)C)n2,0.0
64956,CO-ADD:0247993,-2.2,c1(sc(c2n1)cccc2)NC(=O)OC(C)(C)C(C)=O,0.0
64957,CO-ADD:0248938,-2.2,N1(C(=O)CCC1=O)c2cccc(c2)C(O)=O,0.0
64958,CO-ADD:0249470,-2.2,C(=O)(Nc(cc1)ccc1Br)N(C)c2ccccc2,0.0
64959,CO-ADD:0248901,-2.2,s1c(Cc2ccccc2)nnc1Nc3ccccc3,0.0
64960,CO-ADD:0247930,-2.2,n1(c2c(n3)cccc2)c3S\C(=C/c(c(ccc4[N+](=O)[O-])OCc5ccc(cc5Cl)Cl)c4)\C1=O,0.0
64961,CO-ADD:0249286,-2.2,c1(SCC(NCCCC)=O)sc2c(ccc(c2)NC(=O)c3ccccc3Br)n1,0.0
64962,CO-ADD:0252798,-2.2,N1C(=O)c2c(cc(cc2)\N=C\c(cc3)ccc3Cl)C1=O,0.0
64963,CO-ADD:0249246,-2.2,P(c1ccccc1)(c2ccccc2)(=O)Cc3cccc(n3)CP(c4ccccc4)(c5ccccc5)=O,0.0
64964,CO-ADD:0249764,-2.2,n1c(c2ccccc2)c(cn1c3ccccc3)\C=N\NC(COc(cc4)ccc4Cl)=O.CC(=O)O,0.0
64965,CO-ADD:0161577,-2.2,C(COc(cc1)ccc1I)(=O)N\N=C\c2ccccc2OCc3ccccc3,0.0
64966,CO-ADD:0249388,-2.2,c1(c2c(s3)CCCC2)c3ncnc1N4CCC(CC4)Cc5ccccc5,0.0
64967,CO-ADD:0249330,-2.2,N1(c2ccc(c(C)c2)I)C(=O)c(c(c3)C1=O)cc(c3C(N4c5ccc(c(C)c5)I)=O)C4=O,0.0
64968,CO-ADD:0252918,-2.2,n12c(S\C(=C/c3cccc(Cl)c3Cl)\C1=O)nc(cc(C)c(C)c4)c24,0.0
64969,CO-ADD:0160092,-2.2,NC1=NON=C1/C(NC2=CC=CC=C2OC)=N\OCC3=C(Cl)C=C(Cl)C=C3,0.0
64970,CO-ADD:0159884,-2.2,O=C(OCC)CO/N=C(NCC1=CC=CC=C1)/C2=NON=C2N,0.0
64971,CO-ADD:0155404,-2.2,O=C(C1=CC=CC2=CC=CC=C12)NC3=CC=C(C=C3)C(C4=C5C=CC=C4)(C(C=C6)=CC=C6NC(C7=C(C=CC=C8)C8=CC=C7)=O)C9=C5C=CC=C9,0.0
64972,CO-ADD:0158584,-2.2,[O-][N+](C1=C(OC)C=CC(/C=N/NC(COC2=C(Br)C=C(C)C=C2Br)=O)=C1)=O,0.0
64973,CO-ADD:0155501,-2.2,O=C(N(CCCCCCCCCC)CCCCCCCCCC)C1(CCCCC1)C,0.0
64974,CO-ADD:0255972,-2.2,C(=O)(N\N=C/c1cccc(cccc2)c12)c3ccc(cc3)F,0.0
64975,CO-ADD:0253340,-2.2,C(/CC(=O)c1cccs1)(=N\NC(=O)c2ccc(cc2)C)\C(F)(F)F,0.0
64976,CO-ADD:0256629,-2.2,C(=O)(N\N=C(/C)\c1ccc(cc1OC)OC)C(=O)Nc2c(Cl)ccc(Cl)c2,0.0
64977,CO-ADD:0253525,-2.2,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)NC2CCCCC2)c3c(OC)ccc(Cl)c3,0.0
64978,CO-ADD:0250077,-2.2,s1c(N)nnc1CC(=O)N\N=C\c(cc2)ccc2C#N,0.0
64979,CO-ADD:0154762,-2.2,NC1=CC=CC(/C=C/C#CC2=CC(N)=CC=C2)=C1,0.0
64980,CO-ADD:0154869,-2.2,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C3=C(C)C=CS3,0.0
64981,CO-ADD:0156402,-2.2,[O-][N+](C(C(N=NN1)=C1C(Br)=C2[N+]([O-])=O)=C2Br)=O,0.0
64982,CO-ADD:0158761,-2.2,O=C(OC(C=C1)=C(OC)C=C1/C=N/NC(CNC(C2=CC=CO2)=O)=O)C3=CC=CO3,0.0
64983,CO-ADD:0163452,-2.2,N(CC(=O)N\N=C\c(ccc1c(cccc2[N+](=O)[O-])c2)o1)(c(cccc3)c34)c(cccc5)c5C4=O,0.0
64984,CO-ADD:0254052,-2.21,C(=O)(Nc(cc1)ccc1N(C)C)c2ccc3c(c(ccc4)CC3)c24,0.0
64985,CO-ADD:0163736,-2.21,C(=O)(Nc(cc1)ccc1NC(C)=O)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O,0.0
64986,CO-ADD:0163445,-2.21,c(\C=N\NC(COc1ccc(cc1Cl)Cl)=O)(cc(I)cc2I)c2O,0.0
64987,CO-ADD:0249972,-2.21,c1(C(=O)NC(=N2)c3ccccc3)c2c4c(cccc4)o1,0.0
64988,CO-ADD:0163477,-2.21,C(=O)(N\N=C\c(ccc(c1OCC(O)=O)OCC(O)=O)c1)c2ccc(cc2)C,0.0
64989,CO-ADD:0256427,-2.21,C12(SCC(=O)N1c3cccc(F)c3)c4c(NC2=O)cccc4,0.0
64990,CO-ADD:0162464,-2.21,n(Cc1ccccc1)(nc(c2C#N)C)c2N,0.0
64991,CO-ADD:0154492,-2.21,O=C1OC(C2=CC=CC=C2)=N/C1=CC3=C(Cl)C=CC=C3,0.0
64992,CO-ADD:0154406,-2.21,O=C(C1(CC1C2=CC=CC=C2)NC(NC)=O)O,0.0
64993,CO-ADD:0154482,-2.21,NC1(CC1C2=CC=C(O)C(OC)=C2)C(O)=O,0.0
64994,CO-ADD:0155058,-2.21,O=C(CSC1=NC(NC2=C3C=CC=C2)=C3N=N1)NC4=NN=C(C(C)C)S4,0.0
64995,CO-ADD:0256643,-2.21,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cccc3C(=O)Nc4sccn4)c3,0.0
64996,CO-ADD:0158331,-2.21,O=C(N/N=C/C1=C(OCCC)C=CC(Br)=C1)C2=CC(OC)=C(OC)C(OC)=C2,0.0
64997,CO-ADD:0158403,-2.21,O=C(C1=CC=C(F)C=C1)NC2=CC=C(C=C2)C(NNC(CCCCCCC)=O)=O,0.0
64998,CO-ADD:0250234,-2.21,N1(c2ccc(c(C)c2)C)C(=O)\C(=C\c(cc3Br)cc(c3O)Br)\C(NC1=S)=O,0.0
64999,CO-ADD:0155288,-2.21,[O-][N+](C1=C(O)N2C(N=C1C)=NC(CC(O)=O)=N2)=O,0.0
65000,CO-ADD:0256841,-2.21,c(c1)(c(NCCO)c2c(cccn2)c1[N+](=O)[O-])[N+](=O)[O-],0.0
65001,CO-ADD:0163809,-2.21,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3Cl)C(=O)Oc(cc4)ccc4\C=N\c(cc5)ccc5Cl,0.0
65002,CO-ADD:0256850,-2.21,c1(NC(=S)NC(=O)c2ccc(cc2)Br)nnc(C)s1,0.0
65003,CO-ADD:0257011,-2.21,N1(c2ccc(cc2)F)C(c3ccc(cc3)OCCCC)Nc(c4C1=O)cccc4,0.0
65004,CO-ADD:0163849,-2.21,N(=C(/C)\c1cccc(I)c1)/NC(=O)CCSc(cc2)ccc2Cl,0.0
65005,CO-ADD:0252437,-2.21,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C\c4ccco4,0.0
65006,CO-ADD:0247905,-2.21,c1(NC(Cc(cc2)ccc2OC)=O)sc(c(C)c1C(OCC)=O)C,0.0
65007,CO-ADD:0248104,-2.21,S(N)(=O)(=O)c1ccc(cc1)NC(CSc2nnc(SCC(=O)Nc(cc3)ccc3S(N)(=O)=O)s2)=O,0.0
65008,CO-ADD:0252558,-2.21,c1(c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])SN2Cc3ccccc3)C2=O,0.0
65009,CO-ADD:0255059,-2.21,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4OC)cc(c4OCC=C)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
65010,CO-ADD:0254593,-2.21,c(CC(NC(OCc1ccccc1)=O)C(=O)Nc2ccc(cc2C)I)(c3c([nH]4)cccc3)c4,0.0
65011,CO-ADD:0254884,-2.21,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)ccc4C(C)(C)C)\C1=O,0.0
65012,CO-ADD:0249579,-2.21,n1(c2ccccc2)c(SCC(=O)Nc3c(C)cc(cc3C)C)nnc1c4ccc(c(OC)c4)OC,0.0
65013,CO-ADD:0255171,-2.21,N1(c(cc2)ccc2N(C)C)C(=O)c(cc3)c(c(c4)C1=O)c(c3C5=O)c(c4)C(N5c(cc6)ccc6N(C)C)=O,0.0
65014,CO-ADD:0160024,-2.21,ClC(C=C1)=C(C=C1/N=C\C2=CC=C(C=C2)/C=N\C3=CC=C(C(C4=NC(C=C5)=C(C=C5C)O4)=C3)Cl)C6=NC(C=C7)=C(C=C7C)O6,0.0
65015,CO-ADD:0160330,-2.22,[O-][N+](C1=CC(C(OC2=CC(C)=CC(OC(C3=CC=C(C([N+]([O-])=O)=C3)C)=O)=C2)=O)=CC=C1C)=O,0.0
65016,CO-ADD:0160386,-2.22,[O-][N+](C(C=C1)=CC=C1C(OC2=C(/C=N/NC(/C(NC(C3=CC=CC=C3)=O)=C\C4=CC=C(C=C4)N(C)C)=O)C=C(Br)C=C2)=O)=O,0.0
65017,CO-ADD:0158673,-2.22,O=C(COC(C(Br)=C1)=CC=C1OC)N/N=C/C2=CC=C3OCOC3=C2,0.0
65018,CO-ADD:0158644,-2.22,[O-][N+](C1=CC=C(C(/C=N/CCCCCCCCCC)=C1)OC(C2=CC=CC=C2C(O)=O)=O)=O,0.0
65019,CO-ADD:0155384,-2.22,O=C(C1=CC(OC2=CC([N+]([O-])=O)=CC=C2)=CC=C31)N(C4=CC=CC(C(C)=O)=C4)C3=O,0.0
65020,CO-ADD:0250584,-2.22,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)NC(=O)c6ccc(cc6)OCCCCCCCCCC)n1,0.0
65021,CO-ADD:0250409,-2.22,n1(c2c(n3)cccc2)c3S\C(=C\c(cccc4Oc5ccc(cc5[N+](=O)[O-])C(F)(F)F)c4)\C1=O,0.0
65022,CO-ADD:0253197,-2.22,N1(c2ccccc2F)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
65023,CO-ADD:0154936,-2.22,N#CC1=C(N)OC(C=C(N)C=C2)=C2C1C(C=CC=C3)=C3I,0.0
65024,CO-ADD:0156262,-2.22,ClC1=CC(/N=C/C2=C(O)C(OC)=CC=C2)=CC=C1OC,0.0
65025,CO-ADD:0156286,-2.22,O=C([C@@]1(C)C2)[C@]3(C)C[N@]2C([N@@](C3)C1)C(C4=C5C=CC(OC)=C4)=C(C)N5C,0.0
65026,CO-ADD:0155626,-2.22,O=C(C1=CC=C(Br)C=C1)NC2=C(C(OCC)=O)C(C3=CC=CC=C3)=CS2,0.0
65027,CO-ADD:0158766,-2.22,O=C(COC1=CC=CC=C1Br)N/N=C/C2=CC=CC=C2OCCCCCCCC,0.0
65028,CO-ADD:0163709,-2.22,C(\C=N\NC(CSCc(cc1)ccc1Cl)=O)#Cc2ccccc2,0.0
65029,CO-ADD:0163761,-2.22,C(COc1ccc(cc1C)Br)(=O)N\N=C(/C)\CC(=O)NCC(C)C,0.0
65030,CO-ADD:0162226,-2.22,c1(N(CC2)CCN2C)nc(N\N=C\C(\Br)=C\c3ccccc3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
65031,CO-ADD:0162571,-2.22,[N+](=O)([O-])c1ccc(cc1SCCO)N2CCCC2,0.0
65032,CO-ADD:0162579,-2.22,N1(c2cccc(Oc(ccc(c3C4=O)C(N4c5ccccc5)=O)c3)c2)C(=O)c(c6C1=O)ccc(C(O)=O)c6,0.0
65033,CO-ADD:0154521,-2.22,O=C(OCC)CCC1=CNC2=CC=CC=C21,0.0
65034,CO-ADD:0256796,-2.22,S1(=O)(=O)c(cccc2)c2C(NCCCOC(=O)\C=C\c3ccccc3)=N1,0.0
65035,CO-ADD:0154431,-2.22,[H]N(C(C1=CC=CC2=CC=CC=C21)=O)NCC3=CNC4=C3C=CC=C4,0.0
65036,CO-ADD:0253239,-2.22,N1(c2cccc(C)c2C)C(=O)C(C3C1=O)C(c4ccccc4)CCC3c5ccccc5,0.0
65037,CO-ADD:0154300,-2.22,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC(OC)=C(C(OC)=C4)OC)C#N,0.0
65038,CO-ADD:0154499,-2.22,O=C1OC(C)=N/C1=C(C)/C2=CC=CC=C2,0.0
65039,CO-ADD:0158443,-2.22,O=C(C1=CC=CC=C1)NC2=CC=C(C=C2)C(NCCCCCCCC)=O,0.0
65040,CO-ADD:0160389,-2.22,O=C(NC1=CC=CC2=CC=CC=C12)C3CC3CCCC,0.0
65041,CO-ADD:0155194,-2.22,O=C1NC(C(OCC)=O)=C(/C=N/NC(CC2=CC=CC=C2)=O)N1,0.0
65042,CO-ADD:0155322,-2.22,O=C(C1=CC(OC2=CC=C3C(N(C4=CC=C(C)C=C4)C(C3=C2)=O)=O)=CC=C51)N(C5=O)C(C=C6)=CC=C6C,0.0
65043,CO-ADD:0155242,-2.22,O=C(C1=C2C=CC=C1)N(C(CC3=CC=C(C=C3)NC(/C(NC(C)=O)=C/C4=CC=CC=C4)=O)C(OCC)=O)C2=O,0.0
65044,CO-ADD:0155355,-2.23,O=C(NC1=CC(NC(C)=O)=CC=C1)C2=CC(Br)=CC=C2O,0.0
65045,CO-ADD:0163845,-2.23,C(=O)(c1cccc(F)c1)Nc2ccc(cc2Br)Br,0.0
65046,CO-ADD:0257067,-2.23,C(=O)(NCc1cccc(c1)CNC(=O)C(=O)NCC(C)C)C(=O)NCC(C)C,0.0
65047,CO-ADD:0163185,-2.23,c1(c2ccc(cc2)\N=C\c(cc3)ccc3OCc4ccccc4)sc(c5n1)cccc5,0.0
65048,CO-ADD:0256822,-2.23,C1(C(=O)c2ccc(cc2)OC)=C(O)C=C(OC1=O)c3ccc(cc3)OC,0.0
65049,CO-ADD:0256846,-2.23,o1c(C)ccc1CCC(=O)Nc2ccccc2C,0.0
65050,CO-ADD:0162738,-2.23,S(=O)(=O)(c1ccc(cc1)C)NC(=O)Nc(cc2)c(Cl)cc2[N+](=O)[O-],0.0
65051,CO-ADD:0252704,-2.23,c1(C#N)c(COC)cc(nc1Cl)C,0.0
65052,CO-ADD:0252684,-2.23,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(COc2ccc(cc2Cl)Cl)=O)c1,0.0
65053,CO-ADD:0247449,-2.23,C(=O)(Oc1ccccc1\C=N\N(C(C)C)C(C)C)c2ccccc2C(=O)Oc3ccccc3\C=N\N(C(C)C)C(C)C,0.0
65054,CO-ADD:0252809,-2.23,N1(CNc2ccccc2I)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
65055,CO-ADD:0247710,-2.23,C(CSCc1cccc(Cl)c1)(=O)N\N=C\c(cc2)ccn2,0.0
65056,CO-ADD:0249373,-2.23,S(=O)(=O)(c1c(Cl)ccc(Cl)c1)N2CCc(cccc3)c23,0.0
65057,CO-ADD:0254579,-2.23,c1(\N=C\c2cc(Br)ccc2O)sc(c3n1)CCCC3,0.0
65058,CO-ADD:0248143,-2.23,c12c(nnc(SCC(=O)N(c3ccccc3)c4ccccc4)n1)c5c(cccc5)n2CC=C,0.0
65059,CO-ADD:0249765,-2.23,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OCC)cc(c5O)I,0.0
65060,CO-ADD:0249632,-2.23,N1(C2c3ccccc3)C(S\C(=C\c(ccc(c45)OCO4)c5)\C1=O)=NC(\C(\CCC6)=C/c7ccccc7)=C26,0.0
65061,CO-ADD:0249394,-2.23,c1(N(CC2)CCO2)nc(N\N=C\c(cc3OC)cc(c3OCc4ccc(cc4Cl)Cl)Br)nc(Nc5ccc(cc5Br)C)n1,0.0
65062,CO-ADD:0247953,-2.23,N1(c2ccc(c(Cl)c2)Cl)C(=O)c(c3C1=O)ccc(c3)N4Cc5c(cccc5)C4,0.0
65063,CO-ADD:0254992,-2.23,c1(SCC(=O)Nc(ccc(c2s3)nc3SC)c2)sc4c(ccc(c4)\N=C\c(cc(I)cc5I)c5O)n1,0.0
65064,CO-ADD:0160426,-2.23,O=C(N/N=C/C1=CC=C(N(CC)CC)C=C1)C(C=C2)=CC=C2NC(CCCCCC)=O,0.0
65065,CO-ADD:0155733,-2.23,BrC1=CC=C(C=C1)C2=CSC(NC(C=CC=C3)=C3OC)=N2,0.0
65066,CO-ADD:0155285,-2.23,O=C(C1=CC=CC2=CC=CC=C12)NC(C(C)=C3)=CC=C3CC4=CC=C(C(C)=C4)NC(C5=CC=CC6=CC=CC=C56)=O,0.0
65067,CO-ADD:0158045,-2.23,O=S(NC(CC1=CC=CC=C1)C(NCCC)=O)(C2=CC=C(Cl)C=C2)=O,0.0
65068,CO-ADD:0158069,-2.23,O=C(C1=CC=CC(Br)=C1)NC2=NC(C(F)(F)F)=C(C3=CC=CC=C3)S2,0.0
65069,CO-ADD:0158572,-2.24,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C=C/C3=CC=CC=C3)=NC(N4CCOCC4)=N2)=O,0.0
65070,CO-ADD:0155638,-2.24,O=C(C1=C2C=CC(OC3=CC=C(C=C3)[N+]([O-])=O)=C1)N(C4=CC=CC=C4OC)C2=O,0.0
65071,CO-ADD:0253602,-2.24,C(C(OCC)=O)(=C1C)\C(=C\c(ccc(c2OCC)OCCC)c2)\C(N1c3ccccc3)=O,0.0
65072,CO-ADD:0256800,-2.24,N(C(=O)\C(\S1)=C/c(ccc(c2OC)O)c2)=C1N3CCCC3,0.0
65073,CO-ADD:0250152,-2.24,N1(CC(O)=O)C(=O)\C(\SC1=S)=C\c(cc(Cl)cc2Cl)c2OC,0.0
65074,CO-ADD:0253503,-2.24,N(\C(=C/c(ccc(c1OCC)OCc(cc2)ccc2Cl)c1)\C(O3)=O)=C3c4ccccc4,0.0
65075,CO-ADD:0154807,-2.24,O=C(CCCC1=CC=C(C(C)=C1)OC)NC2=CC=CC3=CC=CC=C23,0.0
65076,CO-ADD:0155425,-2.24,S=C(OC1=CC=C(C=C1)C(NC(C=C2)=CC=C2Cl)=O)NC3=CC=C(N(C)C)C=C3,0.0
65077,CO-ADD:0155441,-2.24,O=S(N1CCOCC1)(C2=CC(C(NC3=CC(F)=CC=C3)=O)=C(Cl)C=C2)=O,0.0
65078,CO-ADD:0155642,-2.24,O=C(C1=C2C=CC(C(NC(C=CC=C3)=C3C)=O)=C1)N(C4=CC=CC=C4C)C2=O,0.0
65079,CO-ADD:0156435,-2.24,ClC1=CC(Cl)=CC(/C=N/C2=CC=C3OCCOC3=C2)=C1O,0.0
65080,CO-ADD:0162327,-2.24,c1(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)cc(I)ccc1O,0.0
65081,CO-ADD:0162560,-2.24,c1(C#N)c(SCCSCC)nc(cc1C(F)(F)F)c2cccs2,0.0
65082,CO-ADD:0162171,-2.24,c1(N2CCCC2)nc(N\N=C/c(cc(I)cc3I)c3OC)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
65083,CO-ADD:0162184,-2.24,c1(N2CCCC2)nc(N\N=C/c3ccccc3Cl)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
65084,CO-ADD:0162288,-2.24,C1(c2ccccc2Br)=N\C(\C(=O)O1)=C/c(ccc(c34)cccc3)c4,0.0
65085,CO-ADD:0162628,-2.24,C12(c3c(NC1=O)cccc3)C(C(C)=O)=C(C)OC(N)=C2C(OCC)=O,0.0
65086,CO-ADD:0253984,-2.24,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C/c4c(OCC)ccc(cccc5)c45)\C1=O)=NC(C)=C2C(OCC)=O,0.0
65087,CO-ADD:0253953,-2.24,S(c1ccccc1)(=O)(=O)N(c2ccccc2)Cc(cc3)ccc3C(=O)N\N=C\c4cccc(OCC=C)c4.[Na+],0.0
65088,CO-ADD:0154395,-2.24,O=C(NNCC1=CC=CO1)C2=CC3=CC=CC=C3N2,0.0
65089,CO-ADD:0161237,-2.24,C1(=C(CCCC1=O)OC(=C23)CCCC2=O)C3CCc(cc4)ccc4C,0.0
65090,CO-ADD:0249882,-2.24,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)CC)c4sc(c5c4C#N)CCCCC5,0.0
65091,CO-ADD:0161437,-2.24,[N+](=O)([O-])c1c(OC)ccc(c1)c2csc(Nc3cccc(C)c3)n2.Br,0.0
65092,CO-ADD:0255990,-2.24,C(C)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc5ccccc5OCC)C24,0.0
65093,CO-ADD:0256726,-2.24,c1(SCC(=O)Nc(ccc(c2s3)nc3SC)c2)sc4c(ccc(c4)\N=C\c5cc(Br)ccc5O)n1,0.0
65094,CO-ADD:0155188,-2.24,O=C(N/N=C(C)/C1=CC=C(C)O1)C(C=CC=C2)=C2OC,0.0
65095,CO-ADD:0256147,-2.24,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3sccn3,0.0
65096,CO-ADD:0155316,-2.24,O=C(C(C=C1)=CC=C1NC(CCCCC)=O)NC2=CC=CC(C)=C2C,0.0
65097,CO-ADD:0249962,-2.24,C1(N(CC(O)=O)S(c2ccccc2)(=O)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
65098,CO-ADD:0163152,-2.24,N1(c2cccc(cccc3)c23)C(=O)C(C(C1=O)C45C=O)C(c(c46)cccc6)c(c57)cccc7,0.0
65099,CO-ADD:0163696,-2.24,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(=O)c3ccc(cc3)OCCCCCCCCCC)o1,0.0
65100,CO-ADD:0163984,-2.25,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C/c2ccccc2,0.0
65101,CO-ADD:0163876,-2.25,C(=O)(c1cccc(F)c1)Nc(cc2)ccc2CCCC,0.0
65102,CO-ADD:0163599,-2.25,C(=O)(N\N=C\c1cccc(OC)c1)c2ccc(c(OC)c2)OC,0.0
65103,CO-ADD:0252639,-2.25,N1(C(C1C#Cc2ccccc2)(C)C)N3C(=O)c4c(cccc4)C3=O,0.0
65104,CO-ADD:0247574,-2.25,N1(c2ccccc2)C(=O)c3c(C(C)=N1)cccc3,0.0
65105,CO-ADD:0249597,-2.25,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)sc3c(ccc(c3)\N=C\c4cc(I)ccc4O)n1,0.0
65106,CO-ADD:0247443,-2.25,S(CCCCCCCCCC)(=O)(=O)N\N=C\c(c1c([nH]2)cccc1)c2,0.0
65107,CO-ADD:0252801,-2.25,c(Nc1ccccc1)(nc(N\N=C\c(ccc2c3ccccc3Cl)o2)nc4Nc5ccccc5)n4,0.0
65108,CO-ADD:0247685,-2.25,C12(CC(CC3C1)CC(C3)C2)C(=O)[O-].C45(CC(CC6C4)CC(C6)C5)C(=O)[O-].[N+]([H])([H])([H])CCSSCC[N+]([H])([H])[H],0.0
65109,CO-ADD:0248919,-2.25,C(=O)(c1cccc(Cl)c1)Nc(ccc(c2C)I)c2,0.0
65110,CO-ADD:0249464,-2.25,c1(NC(=O)CNS(=O)(=O)c2ccc(cc2)Cl)sc(c(C)c1C(OCC)=O)C,0.0
65111,CO-ADD:0252571,-2.25,n1(nnc(C(=O)N\N=C\c2ccccc2O)c1CN3CCc(c4C3)cccc4)c5nonc5N,0.0
65112,CO-ADD:0254755,-2.25,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc2c3cccc(Cl)c3Cl)o2,0.0
65113,CO-ADD:0248220,-2.25,c1(C(O)=O)cc(ccc1NC(=O)c2cc(OC)cc(OC)c2)c(ccc(c3C(O)=O)NC(=O)c4cc(OC)cc(OC)c4)c3,0.0
65114,CO-ADD:0159986,-2.25,O=C(C1=CC(/N=C/C2=CC=C(C(O)=C2)O)=CC=C1)NC(C=CC=C3)=C3C,0.0
65115,CO-ADD:0247655,-2.25,C1(=O)N(C)c2c(cc(cc2)\C=C(/C#N)\c3[nH]c(c4n3)cccc4)N1C,0.0
65116,CO-ADD:0252940,-2.25,N(=C\c(cc1)ccc1N(C)C)/c2cccc3c2cccc3\N=C\c(cc4)ccc4N(C)C,0.0
65117,CO-ADD:0248279,-2.25,c1(non2)c2nc(Nc3cccc(C)c3C)c(N\N=C\c(ccc(c45)OCO4)c5)n1,0.0
65118,CO-ADD:0255155,-2.25,C1(c2ccc(cc2C)C)=C\C(\C(=O)O1)=C\c3ccc(cc3Cl)Cl,0.0
65119,CO-ADD:0159973,-2.25,[O-][N+](C(C=C1)=CC=C1COC(C(C(O2)=O)=CC3=C2C=CC=C3)=O)=O,0.0
65120,CO-ADD:0157429,-2.25,O=C1N(C(C=C2)=CC=C2[N+]([O-])=O)C(C3[C@](C=C4)(C5=CC=C(Br)C=C5)[C@H]6C(N(C(C=C7)=CC=C7[N+]([O-])=O)C([C@H]6[C@@H]4C13)=O)=O)=O,0.0
65121,CO-ADD:0157678,-2.25,O=S(C1=CC(S(NC(C=C2)=CC=C2OC)(=O)=O)=CC=C1OC)(NC3=CC=C(OC)C=C3)=O,0.0
65122,CO-ADD:0157384,-2.25,O=C(CC1=CC=CC=C1)N/N=C/C2=CN(C3=CC=CC=C32)C,0.0
65123,CO-ADD:0156912,-2.25,N#CC(C(SCC(O)=O)=N1)=C(C2=CC=C(OC)C=C2)C=C1C3=CC=CC=C3,0.0
65124,CO-ADD:0157392,-2.25,[O-][N+](C1=C(O)C(/C=N/C2=C(C)C=CC([N+]([O-])=O)=C2)=CC(Cl)=C1)=O,0.0
65125,CO-ADD:0156952,-2.26,O=C1C2=C(CC(C)(C)C1)N(C3=CC=CC=C3F)C(C4=CC=CC=C4)=C2.CC(=O)O,0.0
65126,CO-ADD:0158786,-2.26,O=C(C1=CC([N+]([O-])=O)=CC=C21)N(C2=O)C(C=C3)=CC=C3C4=NC5=CC(N(C6=O)C(C7=CC([N+]([O-])=O)=CC=C67)=O)=CC=C5N4,0.0
65127,CO-ADD:0156247,-2.26,O=S(C1=CC=C(Cl)C=C1)(CCC(C)=O)=O,0.0
65128,CO-ADD:0155451,-2.26,O=C1NC(C(Br)=CC=C2)=C2/C1=N\NC(COC3=C(Br)C=C(C)C=C3Br)=O,0.0
65129,CO-ADD:0158624,-2.26,O=C(C1=C2C=CC=C1[N+]([O-])=O)N(C(C=C3)=CC=C3C(OC4=CC=CC=C4)=O)C2=O,0.0
65130,CO-ADD:0155516,-2.26,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC=C(C=C3)OS(C4=CC([N+]([O-])=O)=C(C)C=C4)(=O)=O)=C(C)N1C,0.0
65131,CO-ADD:0253462,-2.26,n(nnc1C(=O)N(CC2)CCO2)(c1c3ccccc3)c4nonc4N,0.0
65132,CO-ADD:0253319,-2.26,N(O1)(C(c(cccc2[N+](=O)[O-])c2)C(C1C3=O)C(N3c4ccc(cc4)OC)=O)C5C(C)(C)N(C(=S)S5)C,0.0
65133,CO-ADD:0253578,-2.26,N(CN(CC1)CCN1c(cccc2C(F)(F)F)c2)(N=C(N3C)c4ccccc4)C3=S,0.0
65134,CO-ADD:0155542,-2.26,O=C(N(C(C=C1C)=CC=C1C)N=C2C)C2C(C3=CC=CC(O)=C3)C4C(N(N=C4C)C(C=C5C)=CC=C5C)=O,0.0
65135,CO-ADD:0158690,-2.26,O=C(N/N=C/C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CCCCC(N/N=C/C4=CN(C5=CC=CC=C5)N=C4C6=CC=CC=C6)=O,0.0
65136,CO-ADD:0155498,-2.26,[O-][N+](C1=CC=CC(NC2=NC(N/N=C/C3=CC=C(C4=CC=C(C=C4)[N+]([O-])=O)O3)=NC(N5CCOCC5)=N2)=C1)=O,0.0
65137,CO-ADD:0155386,-2.26,O=C(NC(C=C1)=CC=C1Cl)C(NCCCO)=O,0.0
65138,CO-ADD:0155434,-2.26,ClC1=CC=C(C=C1)C2=CSC(NC(C=CC=C3)=C3OC)=N2,0.0
65139,CO-ADD:0156483,-2.26,O=S(C1=CC(C(OC2=CC=CC3=CC=CN=C23)=O)=C(Cl)C=C1)(N(CC)CC)=O,0.0
65140,CO-ADD:0156515,-2.26,O=C(C1=CC(NC(C(C=C2)=CC=C2NC(CCCCCCC)=O)=O)=CC=C1)NC3=NC=CC=C3,0.0
65141,CO-ADD:0158711,-2.26,O=C(/C1=N/C(C=C2)=CC=C2F)N(CN(CC3)CCC3CC4=CC=CC=C4)C5=C1C=CC=C5,0.0
65142,CO-ADD:0155595,-2.26,N#CC1=C(SCC(NC2=CC=C(Br)C=C2)=O)N=C(C)C(C(NC3=CC=CC=C3)=O)=C1C4=CC=C(Br)C=C4,0.0
65143,CO-ADD:0162649,-2.26,c(C#N)(cc(C(C)=O)c(n1)C)c1SCC(OC)=O,0.0
65144,CO-ADD:0162577,-2.26,N1(C=C(C)C(NC1=O)=O)C2CC(C(C(=O)[O-])O2)N=[N+]=[N-].O,0.0
65145,CO-ADD:0162673,-2.26,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCc(ccc(c3Cl)Cl)c3)c4ccccc4,0.0
65146,CO-ADD:0162181,-2.26,N(CC(=O)N\N=C\c(cc1)ccc1OCC)(c(cccc2)c23)c(cccc4)c4C3=O,0.0
65147,CO-ADD:0162670,-2.26,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC(=O)c3ccc(cc3)Br)c4ccccc4,0.0
65148,CO-ADD:0162212,-2.26,c1(N2CCCC2)nc(N\N=C\c3cccc(O)c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
65149,CO-ADD:0256117,-2.26,c1(non2)c2nc(Nc(cc3)ccc3I)c(N\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-])n1,0.0
65150,CO-ADD:0162974,-2.26,C(=O)(NCC(=O)N\N=C\c1ccccc1Cl)c2ccc(c(OC)c2)OC,0.0
65151,CO-ADD:0256398,-2.26,N1(c(cc2)ccc2c3oc(c4n3)cccc4)C(=O)c5c(c(cccc6)c6C1=O)cccc5,0.0
65152,CO-ADD:0256487,-2.27,C1(c2ccc(c(cccc3)c23)OC)N(CCN1Cc4ccccc4)Cc5ccccc5,0.0
65153,CO-ADD:0249990,-2.27,c1(NC(COC(CSc2nc(C)cc(C)n2)=O)=O)nnc(CC)s1,0.0
65154,CO-ADD:0161354,-2.27,n1c(ccc(C#N)c1SCC(=O)CC(OCC)=O)c(cccn2)c2,0.0
65155,CO-ADD:0158026,-2.27,[O-][N+](C(C=C1[N+]([O-])=O)=C(C=C1)N2CCN(C)CC2)=O,0.0
65156,CO-ADD:0159750,-2.27,[O-][N+](C(C=C1)=CC=C1C(N/N=C2C(N(CN3CCOCC3)C4=CC=CC=C4\2)=O)=O)=O,0.0
65157,CO-ADD:0161303,-2.27,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCc(cc3)ccc3F)c4ccccc4,0.0
65158,CO-ADD:0161456,-2.27,c1(N(C)C)nc(Cl)nc(Cl)n1,0.0
65159,CO-ADD:0159835,-2.27,N#CSC(/C=C/C1=CC=CC=C1)=O,0.0
65160,CO-ADD:0159907,-2.27,O=C(OC(C=C1)=C(OCC)C=C1/C=N/NC(CNC(C(C=CC=C2)=C2Br)=O)=O)C3=CC=CO3,0.0
65161,CO-ADD:0255609,-2.27,c(NC(CCCCCC)=O)(c1c2CCCC1)c3c(n2)CCC3,0.0
65162,CO-ADD:0163199,-2.27,C(OCc1ccccc1)(=O)NCC(NCCc2ccccc2)=O,0.0
65163,CO-ADD:0162927,-2.27,N1(c2ccc(cc2)OCC)C(=O)C(C(C1=O)C34C=O)C(c(c35)cccc5)c(c46)cccc6,0.0
65164,CO-ADD:0163863,-2.27,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C\c(ccc(c3OCC)OCc(cc4)ccc4Cl)c3,0.0
65165,CO-ADD:0163858,-2.27,c1(c(C)ccc(Cl)c1)NC(CC(C)C)=O,0.0
65166,CO-ADD:0163794,-2.27,C(OCCNC(C)(C)C)(=O)c1ccc(cc1)Br.Cl,0.0
65167,CO-ADD:0254863,-2.27,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c5c4)OCO5,0.0
65168,CO-ADD:0252666,-2.27,c12c(ccc(c1)NC(=O)c3ccc(cc3)Cl)c4c(cccc4)o2,0.0
65169,CO-ADD:0252286,-2.27,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(cc4)ccc4F)\C1=O,0.0
65170,CO-ADD:0247414,-2.27,N(C(=O)CC(N1)=O)=C1SCC(=O)Nc(cc2)ccc2C(OC)=O,0.0
65171,CO-ADD:0255090,-2.27,N1(c(cccn2)c2)C(=O)C(=CC1=O)C,0.0
65172,CO-ADD:0254341,-2.27,c1(\C=N\NC(CSc2cccc(cccn3)c23)=O)cc(OC)ccc1O,0.0
65173,CO-ADD:0247689,-2.27,[N+](=O)([O-])c1ccccc1\C=C\C(=O)NC(C)CCO,0.0
65174,CO-ADD:0247519,-2.27,N1(\N=C\c(cc2)ccc2C#N)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
65175,CO-ADD:0254976,-2.27,n1(nnc(C(=O)N\N=C\c(ccc(c2OCC)OC)c2)c1c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
65176,CO-ADD:0254968,-2.27,c1(C2c3ccc(cc3Cl)[N+](=O)[O-])c(n[nH]c1c4ccccc4)OC(N)=C2C#N,0.0
65177,CO-ADD:0247797,-2.27,C1(c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2)=N\C(\C(=O)O1)=C/c(cc3)ccc3I,0.0
65178,CO-ADD:0248037,-2.27,[N+](=O)([O-])c1ccc(cc1C)C(=O)Nc2n[nH]cn2,0.0
65179,CO-ADD:0255083,-2.27,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4C,0.0
65180,CO-ADD:0252533,-2.27,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc4OC)cc(c4OC)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
65181,CO-ADD:0252542,-2.27,N1(C2c3ccc(cc3)OC)C(S\C(=C\c4cc(Br)ccc4OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
65182,CO-ADD:0254611,-2.27,N1(C2c3ccc(cc3)OC)C(S\C(=C/c4c5c(cccc5)cc(cccc6)c46)\C1=O)=NC(C)=C2C(OCC)=O,0.0
65183,CO-ADD:0160566,-2.27,O=C(CC(N/N=C/C1=C(C=CC=C2)C2=CC=C1)=O)NC3=CC(C(F)(F)F)=CC=C3,0.0
65184,CO-ADD:0160406,-2.27,O=S(C1=CC=C(C([N+]([O-])=O)=C1)C)(OC(C=C2)=CC=C2/C=N\C(C(C)=C3)=CC=C3C)=O,0.0
65185,CO-ADD:0156968,-2.27,N#CC(C1C2=CC=CC=C2C(F)(F)F)=C(N)N(C3=O)C(S/C3=C\C4=CC=CC=C4C(F)(F)F)=C1C#N,0.0
65186,CO-ADD:0158049,-2.28,[O-][N+](C1=CC(C(OC2=CC=CC(C=O)=C2)=O)=CC([N+]([O-])=O)=C1)=O,0.0
65187,CO-ADD:0157724,-2.28,O=C(N/N=C(C)/CC(NCC(C)C)=O)C(C(OC)=C1)=CC=C1OC,0.0
65188,CO-ADD:0156892,-2.28,[O-][N+](C(C=C(OCO1)C1=C2)=C2/C=N/C3=C(C=CC=C3)C(F)(F)F)=O,0.0
65189,CO-ADD:0155678,-2.28,BrC1=CC(Br)=CC(/C=N/C2=CC(C3=NC4=CC=C(C)C=C4O3)=C(O)C=C2)=C1O,0.0
65190,CO-ADD:0155014,-2.28,N#CC([C@@H]1C(C=C2)=CC=C2Br)=C(N[C@](C3=CC=CC=C3)(O)[C@@H]1[N+]4=C(C=CC=C5)C5=CC=C4)[S-],0.0
65191,CO-ADD:0158688,-2.28,O=C(C(C=CC=C1)=C1Br)OC2=C(/C=N/NC(CNC(C3=CC(OCO4)=C4C=C3)=O)=O)C=C(Br)C=C2Br,0.0
65192,CO-ADD:0253594,-2.28,c(cc(cc1C(=O)Nc2c(OC)cc(c(OC)c2)Cl)[N+](=O)[O-])([N+](=O)[O-])c1Nc3cccc(OC)c3,0.0
65193,CO-ADD:0253563,-2.28,c1(SCC(=O)NC2CC2)[nH]c(c3n1)cccc3,0.0
65194,CO-ADD:0256741,-2.28,n1c(c2ccccc2)c([nH]c1c(ccc3c4c(OC)ccc(c4)[N+](=O)[O-])o3)c5ccccc5,0.0
65195,CO-ADD:0250473,-2.28,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)OC)CC(=O)N\N=C(/CCCCCC3)\C3,0.0
65196,CO-ADD:0255290,-2.28,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)c3ccc(cc3)C)c4ccccc4,0.0
65197,CO-ADD:0158629,-2.28,O=C1N(C(C=C2)=CC=C2C(OCCCCC)=O)C(C3=C1C=CC=C3)=O,0.0
65198,CO-ADD:0158626,-2.28,O=S(N1CCOCC1)(C2=CC(C(OC3=CC=CC=C3Cl)=O)=CC=C2)=O,0.0
65199,CO-ADD:0156406,-2.28,[O-][N+](C1=CC=C(C(NC(C2=CC=C(C=C2)[N+]([O-])=O)=O)=C1)O)=O,0.0
65200,CO-ADD:0155611,-2.28,O=C(CNC1=CC=CC=C1C)N/N=C(C)/C2=C(O)C=CC(O)=C2,0.0
65201,CO-ADD:0155640,-2.28,O=C(C1=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=CC=C31)N(C(C=C4)=CC=C4OC)C3=O,0.0
65202,CO-ADD:0155614,-2.28,O=C(C(C=C1)=CC=C1NC(CCCCCCCCC)=O)NC2=CC=CC(C)=C2C,0.0
65203,CO-ADD:0158780,-2.28,C#CCOC1=CC=CC=C1/C=N/NC(COC2=CC=CC(Cl)=C2)=O,0.0
65204,CO-ADD:0162685,-2.28,C1(C2c3ccc(cc3)Br)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
65205,CO-ADD:0253242,-2.28,C(C#N)(C#N)(C(c(cccc1[N+](=O)[O-])c1)CC(C2C(c3ccccc3)=O)(O)c4ccccc4)C2c(cccc5[N+](=O)[O-])c5,0.0
65206,CO-ADD:0162245,-2.28,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3[N+](=O)[O-])nc(Nc4cccc(Br)c4)n1,0.0
65207,CO-ADD:0162550,-2.28,c1(nc(c2cccs2)cc3C(F)(F)F)n3nc(C(=O)Nc(cc4)ccc4Cl)n1,0.0
65208,CO-ADD:0253763,-2.28,N1(c2ccc(cc2)OC)C(c3cccs3)N(N=C1C(C)=O)c4ccccc4,0.0
65209,CO-ADD:0253779,-2.28,N(CN1CCCC1)(N=C(N2c3ccccc3)COc(cc4)ccc4C5CCCCC5)C2=S,0.0
65210,CO-ADD:0253837,-2.28,C(C(OC)=O)(=C1C)\C(=C\c(cc2)ccc2C(OC)=O)\C(N1)=O,0.0
65211,CO-ADD:0161178,-2.29,C(=O)(NCC(=O)N\N=C\c1cccc(C)c1O)c2ccco2,0.0
65212,CO-ADD:0161186,-2.29,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c2ccc(C)o2,0.0
65213,CO-ADD:0163018,-2.29,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(=O)C(O)c2ccccc2,0.0
65214,CO-ADD:0250519,-2.29,N1(CN(c2ccccc2)c3ccccc3)N=C(OC1=S)c4ccc(cc4)C,0.0
65215,CO-ADD:0161190,-2.29,N(\C(=C\c(cc1)ccc1OC)\C(O2)=O)=C2c3ccc(cc3)Br,0.0
65216,CO-ADD:0249888,-2.29,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3cccc(OC)c3OC,0.0
65217,CO-ADD:0160044,-2.29,O=C1C2=C(CCC1)C(C3=C4C=CC=C3)=C(C=C4)NC2C5=CC=C(OC)C=C5,0.0
65218,CO-ADD:0256255,-2.29,N(C(=O)C(c1ccccc1)C(N2)=O)=C2SC(CC)C(=O)Nc(cc3)ccc3S(N)(=O)=O,0.0
65219,CO-ADD:0256536,-2.29,c(c1ccc(cc1Cl)Cl)(nnc2c3ccc(cc3Cl)Cl)o2,0.0
65220,CO-ADD:0256272,-2.29,n1(c2ccccc2)nnnc1SCC(=O)N\N=C\c(ccc3c4c(Cl)ccc(c4)[N+](=O)[O-])o3,0.0
65221,CO-ADD:0159796,-2.29,BrC1=CC(Br)=CC(/C=N/NC2=NC(N3CCCCC3)=NC(N4CCCCC4)=N2)=C1OC,0.0
65222,CO-ADD:0163986,-2.29,C(=O)(c1cccc(c1)OC(=S)Nc(cc2)ccc2OCC)Nc3ccccc3Cl,0.0
65223,CO-ADD:0163806,-2.29,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c2cccc(Br)c2,0.0
65224,CO-ADD:0163214,-2.29,c1(cccc(cccc2)c12)CC(=O)N\N=C\C(\C)=C\c3ccccc3,0.0
65225,CO-ADD:0161685,-2.29,c1(c2ccc(cc2)\N=C\c3cc(C)ccc3O)sc(c4n1)cccc4,0.0
65226,CO-ADD:0162010,-2.29,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)NC(=O)c5ccc(cc5)Cl,0.0
65227,CO-ADD:0161842,-2.29,c(Nc1ccccc1C)(nc(N\N=C\c(cc2)ccc2N(C)C)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
65228,CO-ADD:0248001,-2.29,S(N)(=O)(=O)c1ccc(cc1)NC(CSC2=NCCS2)=O,0.0
65229,CO-ADD:0247967,-2.29,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)N(CC4)CCN4C,0.0
65230,CO-ADD:0248116,-2.29,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCc3ccccc3)C2c4ccccc4,0.0
65231,CO-ADD:0248285,-2.29,[N+](=O)([O-])c(cc(Sc(cc1)ccc1Cl)cc2NC(=O)c3ccc(cc3F)F)c2,0.0
65232,CO-ADD:0255189,-2.29,c1(ccc(c2c1O)cccc2)\C(\C)=N\NC(=O)c3ccc(cc3)Br,0.0
65233,CO-ADD:0253046,-2.29,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c3ccccc3[N+](=O)[O-],0.0
65234,CO-ADD:0254331,-2.29,n1(c2ccccc2)nc(c(\C=N\NC(=O)c3cccc(F)c3)c1O)C,0.0
65235,CO-ADD:0247731,-2.29,C(=O)(Oc(cc1)ccc1Nc2ccccc2)Nc(ccc(c3N=C=O)C)c3,0.0
65236,CO-ADD:0252793,-2.29,C(=O)(NC1CC1)C(=O)Nc2ccccc2,0.0
65237,CO-ADD:0254640,-2.29,N1(c2ccc(cc2)OC)C(=O)c3c(NC1c4ccccc4Cl)cccc3,0.0
65238,CO-ADD:0254835,-2.29,C12(c3c(NC1=O)ccc(C)c3)C(C#N)=C(N)OC(C)=C2C(OCC)=O,0.0
65239,CO-ADD:0254668,-2.29,c(C#N)(c(\C(\C#N)=C\c(cc(OC)c(c1)OC)c1Br)nn2c3ccccc3)c2N,0.0
65240,CO-ADD:0249746,-2.29,c1(CN(CC2)CCO2)c3c([nH]c1CCN(C)C)ccc(C)c3,0.0
65241,CO-ADD:0159937,-2.29,[O-][N+](C1=CC=CC=C1C(N/N=C/C2=CC=C(C3=CC=C(C=C3)[N+]([O-])=O)O2)=O)=O,0.0
65242,CO-ADD:0159985,-2.29,O=C(C(C=C1)=CC=C1/N=C/C2=CC=C(OC)C=C2)NC3=CC=CC=C3C,0.0
65243,CO-ADD:0160148,-2.29,[O-][N+](C1=CC=C(/C=N/NC(C(C=C2)=CC=C2OCC3=CC=CC(OC)=C3)=O)S1)=O,0.0
65244,CO-ADD:0155702,-2.29,O=C(CSCC(C=CC=C1)=C1Cl)NC2=C(C)C=CC(Cl)=C2,0.0
65245,CO-ADD:0158102,-2.29,O=C(COC1=CCCCC1)N/N=C/C(C=CC=C2)=C2Cl,0.0
65246,CO-ADD:0156902,-2.3,O=C(C(CC=CC1)C1C(O)=O)NC2=C(C)C=CC(Cl)=C2,0.0
65247,CO-ADD:0155735,-2.3,O=C(C1=CC=C(Br)C=C1)N2N=C3CCCCC3=C2C(C=C4)=CC=C4Cl,0.0
65248,CO-ADD:0155215,-2.3,FC1=CC=CC(N(C(C2=CC=CS2)C3)N=C3C(C=C4)=CC=C4F)=C1,0.0
65249,CO-ADD:0154785,-2.3,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(NC2=CC=C(C=C2)C3=NC(C=C4)=C(C=C4C)S3)=O)=C1)=O,0.0
65250,CO-ADD:0154857,-2.3,O=C(OC)C(C=C1)=CC=C1/C=N/C2=CC=C3C(N=C(C4=CC=CC=C4)O3)=C2,0.0
65251,CO-ADD:0156342,-2.3,O=C1/C(C2=CC(C)=CC=C2N1C)=N\NC(C(C=CC=C3)=C3Cl)=O,0.0
65252,CO-ADD:0253632,-2.3,S1(=O)(=O)c(cccc2)c2C(NN(C(=O)c3ccc(cc3)Cl)S(=O)(=O)c4ccc(cc4)C)=N1,0.0
65253,CO-ADD:0250035,-2.3,C1(=CC2=O)C(c3c(cccc3)N1Cc4ccccc4)=NN2c5ccc(cc5)Cl,0.0
65254,CO-ADD:0256128,-2.3,N1(CCC#N)C(C)(O)C(OC1=O)(C)CC,0.0
65255,CO-ADD:0250400,-2.3,n1c(c2ccccc2)c([nH]c1c(cc3Br)cc(c3OCc(cc4)ccc4C)Br)c5ccccc5,0.0
65256,CO-ADD:0253624,-2.3,c1(C(OCC)=O)sc(cc1NC(=O)c2ccccc2Cl)c3ccc(cc3)OC,0.0
65257,CO-ADD:0254017,-2.3,C1(C2=O)C(C(C=C3)(OC13C)C)C(N2c4ccc(cc4)F)=O,0.0
65258,CO-ADD:0155761,-2.3,O=C(N1C)/C(C2=C1C=CC=C2)=N\NC(CNC(C(C3=CC=CC=C3)C4=CC=CC=C4)=O)=O,0.0
65259,CO-ADD:0156313,-2.3,O=C(C1=CC(F)=CC=C1)NCC(N/N=C(C)/C(C=C2)=CC=C2F)=O,0.0
65260,CO-ADD:0253256,-2.3,C1(NC(CSc2sc3c(ccc(c3)\N=C\c(cc(I)cc4I)c4O)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
65261,CO-ADD:0155596,-2.3,N#CC1=C(C2=CC=C(OC)C=C2)C(C(NC3=CC=CC=C3)=O)=C(C)N=C1SCC4=CC=CC=C4,0.0
65262,CO-ADD:0162166,-2.3,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O,0.0
65263,CO-ADD:0162607,-2.3,C(C(OCC)=O)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3cccc(F)c3,0.0
65264,CO-ADD:0162194,-2.3,C(CNc1cccc(C)c1)(=O)N\N=C\c2ccccc2,0.0
65265,CO-ADD:0162167,-2.3,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O,0.0
65266,CO-ADD:0154488,-2.3,O=C1OC(C2=CC=CC=C2)=NC1=CC3=CC=C(OC(C)=O)C=C3OC(C)=O,0.0
65267,CO-ADD:0255973,-2.3,N1(C2c3ccccc3)C(S\C(=C/c(cc4)ccc4I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
65268,CO-ADD:0255270,-2.3,C1(C(OCCOc2ccccc2)=O)=C(C)NC(=C3C1c(cc4OC)cc(c4OC)OC)CCCC3=O,0.0
65269,CO-ADD:0255409,-2.3,n1(Cc2ccc(cc2Cl)Cl)c3c(nc1SCC)cccc3,0.0
65270,CO-ADD:0255705,-2.3,c1(C(=O)C(OCC)=O)cc(c(c2ccccc2)s1)c3ccccc3,0.0
65271,CO-ADD:0255553,-2.3,C(=CNC(N1)=O)(C(=O)Nc(cc2)ccc2C)C1=O,0.0
65272,CO-ADD:0159917,-2.3,O=C1NC(C(Br)=CC=C2)=C2/C1=N/NC(C3=CC=CC=C3OC)=O,0.0
65273,CO-ADD:0255495,-2.3,C1(C(=O)OC2CCCCCCC2)=C(C)NC(NC1c3cccc(Br)c3)=O,0.0
65274,CO-ADD:0256191,-2.3,N(c1c(cccc1Cl)Cl)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
65275,CO-ADD:0250576,-2.3,c1(SCC(=O)Nc(ccc(c2s3)nc3SC)c2)sc4c(ccc(c4)\N=C\c(cc5Br)cc(c5O)Br)n1,0.0
65276,CO-ADD:0256426,-2.3,N1(c(cccc2C(F)(F)F)c2)C(CSCC(=O)Nc3c(C)cccc3C)=Nc(c4C1=O)cccc4,0.0
65277,CO-ADD:0160432,-2.3,O=C(C(C=C1)=CC=C1C#CC2=CC=CC=C2)C(C(C=C3)=CC=C3C#CC4=CC=CC=C4)=O,0.0
65278,CO-ADD:0255682,-2.3,s1c(c(cc2)ccn2)nnc1NC(C)=O,0.0
65279,CO-ADD:0161866,-2.31,c1(\C=N\NC(COc(cc2)ccc2CCCC)=O)c3c(cccc3)cc(cccc4)c14,0.0
65280,CO-ADD:0161882,-2.31,C(COc(cc1)ccc1Cl)(=O)N\N=C\c2cccc(Br)c2,0.0
65281,CO-ADD:0161720,-2.31,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccccc3Cl)OC,0.0
65282,CO-ADD:0255858,-2.31,c(CSc1ccccn1)(c2c3cccc2)c(cccc4)c4c3CSc5ccccn5,0.0
65283,CO-ADD:0161969,-2.31,C(CNc(cc1)ccc1C)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
65284,CO-ADD:0248196,-2.31,c1(ccccc1I)C(=O)N\N=C\c2cccc(O)c2,0.0
65285,CO-ADD:0247549,-2.31,C1(C2=O)C(C(N2c3ccccc3)=O)C(=NN1c4ccccc4)C(c5ccccc5)=O,0.0
65286,CO-ADD:0254313,-2.31,N1(c2ccccc2)\C(=N\N=C\c3ccc(cc3OC)OC)\SC(CC(O)=O)C1=O,0.0
65287,CO-ADD:0249182,-2.31,n1(nnc(C(=O)N\N=C\c2ccccc2O)c1CN3CCCCCC3)c4nonc4N,0.0
65288,CO-ADD:0249793,-2.31,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(OC)c(cc5Br)OCc6ccc(cc6Cl)Cl,0.0
65289,CO-ADD:0249545,-2.31,c(C(=O)Nc1ccccc1F)(c(N)c(c23)cc(c(N)n2)C#N)s3,0.0
65290,CO-ADD:0247489,-2.31,c(\C=N/N=C(/c1ccccc1)\c2ccccc2)(cc(C)cc3\C=N\N=C(/c4ccccc4)\c5ccccc5)c3OC,0.0
65291,CO-ADD:0249526,-2.31,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3ccco3)c4nonc4N,0.0
65292,CO-ADD:0247650,-2.31,C(NCCCCCC(OC)=O)(=O)CCOCCC(NCCCCCC(OC)=O)=O,0.0
65293,CO-ADD:0249731,-2.31,C(=O)(C(OC)c1ccccc1)N\N=C(/C)\c(ccc(c23)OCCO2)c3,0.0
65294,CO-ADD:0249010,-2.31,N1(c2ccccc2)C(c3ccc(cc3)Br)Nc(c4C1=O)cccc4,0.0
65295,CO-ADD:0249740,-2.31,n1(nnc(C(=O)N\N=C\c2ccc(Br)s2)c1CN(CC)CC)c3nonc3N,0.0
65296,CO-ADD:0254833,-2.31,C12(c3c(NC1=O)ccc(C)c3)C4=C(CC(C)(C)CC4=O)OC(N)=C2C#N,0.0
65297,CO-ADD:0255010,-2.31,C(=S)(c1cccc(c1)OC(=O)\C=C\c2ccccc2)N(CC3)CCO3,0.0
65298,CO-ADD:0255064,-2.31,N(c1cccc(Br)c1)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
65299,CO-ADD:0254349,-2.31,n1c2c(cccc2)ccc1N\N=C(/C)\c3ccc(cc3)Cl,0.0
65300,CO-ADD:0254294,-2.31,c1(nonc1OC)N(CC(OCC)=O)N=Nc2nonc2OC,0.0
65302,CO-ADD:0161315,-2.31,C(C#N)(=C(N)OC(=C12)CCCC1=O)C2c3cccc(I)c3,0.0
65303,CO-ADD:0161331,-2.31,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)c3cccs3)c4ccccc4,0.0
65304,CO-ADD:0160612,-2.31,[O-][N+](C(C=C1)=CC=C1C2NCC3(CCCC3)C4=CC(OC)=C(OC)C=C42)=O.Cl,0.0
65305,CO-ADD:0160109,-2.31,O=C(C1=C2C=CC=C1)C3=C(C(NC4=CC=C(Br)C=C4)=CC=C3NC(C=C5)=CC=C5Br)C2=O,0.0
65306,CO-ADD:0155255,-2.31,O=C(C1=C(F)C(F)=CC=C1)NC2=NC(C(C(F)=C3)=CC=C3F)=CS2,0.0
65307,CO-ADD:0155263,-2.31,O=S(N1C(NC(N(CC)CC)=O)C(N(S(=O)(C)=O)C1)N[N+]([O-])=O)(C)=O,0.0
65308,CO-ADD:0155280,-2.31,O=C(O1)C(C(NC2=CC(C)=CC(C)=C2)=O)=CC3=C1C=CC=C3,0.0
65309,CO-ADD:0154757,-2.32,O=C(O)CCCC(SC(CCCCC(O)=O)=C1)=C1N.Cl,0.0
65310,CO-ADD:0254015,-2.32,N(C(=O)\C(\S1)=C/c(cc2)ccc2OC)=C1N3CCCCCC3,0.0
65311,CO-ADD:0249889,-2.32,n1(cnn2)c2c(Nc(cc3)ccc3I)nc(non4)c14,0.0
65312,CO-ADD:0253328,-2.32,N1(CNc2ccc(cc2C)C)C(=O)\C(\SC1=O)=C/c(cc3)ccc3F,0.0
65313,CO-ADD:0250548,-2.32,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCc(cc3)ccc3Cl)c1C,0.0
65314,CO-ADD:0156227,-2.32,N#CC1=C(N)C(C(C2=CC=CC=C2)=CC(C3=CC=CC=C3)=N4)=C4S1,0.0
65315,CO-ADD:0154826,-2.32,O=S(C1=CC([N+]([O-])=O)=C(C)C=C1)(OC(C=C2)=CC=C2/C=N/NC(C(C3CCC3)C(N/N=C/C4=CC=C(C=C4)OS(C5=CC=C(C([N+]([O-])=O)=C5)C)(=O)=O)=O)=O)=O,0.0
65316,CO-ADD:0154858,-2.32,[O-][N+](C1=CC(C2=CC=C(/C=N/C3=CC=C4C(N=C(C5=CC(Cl)=C(Cl)C=C5)O4)=C3)O2)=C(C)C=C1)=O,0.0
65317,CO-ADD:0155625,-2.32,[O-][N+](C1=CC=CC(C(NC2=C(C=CC=C2)NC(C3=CC(I)=CC=C3)=O)=O)=C1C(O)=O)=O,0.0
65318,CO-ADD:0158789,-2.32,O=S(N(CN1C2)CC2(CN(CC1)S(C(C=C3)=CC=C3C)(=O)=O)[N+]([O-])=O)(C(C=C4)=CC=C4C)=O,0.0
65319,CO-ADD:0156328,-2.32,[O-][N+](C1=CC(C2=CC=C(C=C(C3=O)C(C4=CC=CC=C34)=O)O2)=CC=C1Cl)=O,0.0
65320,CO-ADD:0155928,-2.32,O=C(SC1NC2=CC=C(C=C2)C(OCC)=O)N(C3=CC(C)=CC=C3)C1=O,0.0
65321,CO-ADD:0155752,-2.32,[O-][N+](C1=C(C=CC=C1)C(NC2=CC=C(C=C2)C(NC3=CC=C(C=C3)C4=NC(C=C5)=C(C(Cl)=C5NC(C(C=C6)=CC=C6NC(C7=CC=CC=C7[N+]([O-])=O)=O)=O)N4)=O)=O)=O,0.0
65322,CO-ADD:0155560,-2.32,BrC1=CC=C(/N=C/C2=C(OC)C=CC3=CC=CC=C23)C4=NC=CC=C41,0.0
65323,CO-ADD:0154374,-2.32,CC(NC(N=C(CCCC1)C1=C2N)=C2C3C4=CC=CC=C4OC)=C3C(OCC)=O.Cl,0.0
65324,CO-ADD:0257089,-2.32,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c4ccccc4OCc5ccc(cc5Cl)Cl)\C1=O,0.0
65325,CO-ADD:0250049,-2.32,c1(Nc(cc2)ccc2OC)nc(Cl)nc(NCc3ccco3)n1,0.0
65326,CO-ADD:0162494,-2.32,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(c2)cc(cc2C)C)c3ccc(cc3Cl)Cl,0.0
65327,CO-ADD:0162771,-2.32,N(=C(/C)\c(cc1)ccc1c2ccccc2)/Nc3ccccc3Br,0.0
65328,CO-ADD:0250058,-2.32,n1(nnc(C(=O)N\N=C\c(cc2)ccc2N(C)C)c1CSc3sc(c4n3)cccc4)c5nonc5N,0.0
65329,CO-ADD:0250485,-2.32,N1(C2CCCCCCCCCCC2)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
65330,CO-ADD:0162084,-2.32,N1(C(C)=O)C(c2ccc(cc2)OC(C)=O)C(C(OCC)=O)=C(NC1=O)C,0.0
65331,CO-ADD:0162756,-2.32,c1(Cl)cc(Cl)ccc1\C=N\NC(Cc(cc2)ccc2Cl)=O,0.0
65332,CO-ADD:0162130,-2.32,C(=O)(c1ccc(cc1)Br)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3CC,0.0
65333,CO-ADD:0162842,-2.32,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\c3ccccc3OC,0.0
65334,CO-ADD:0162850,-2.32,C(=O)(c1ccc(cc1)OC)Nc(cccc2C(=O)N\N=C\c3cccc(I)c3)c2,0.0
65335,CO-ADD:0162071,-2.32,C1(N(C2)CC(CC2(C3)C)(CN13)C)c4cc(Br)ccc4O,0.0
65336,CO-ADD:0256420,-2.32,N1(c2ccc(cc2)C)C(=O)c3c(cc(cc3)\N=C\c4c(cccc4Cl)Cl)C1=O,0.0
65337,CO-ADD:0159984,-2.32,O=C(C(C=C1)=CC=C1/N=C/C2=CC=C(C(O)=C2)O)NC3=CC=CC=C3C,0.0
65338,CO-ADD:0256833,-2.32,c1(\C=C(\C#N)/C#N)cc(oc1O)\C=C(\C#N)/C#N,0.0
65339,CO-ADD:0160383,-2.32,O=C1/C(N=C(C(C=C2)=CC=C2OCCCCCCCCCC)O1)=C/C3=CC=C4C=CC=CC4=C3,0.0
65340,CO-ADD:0159919,-2.32,O=C1NC(C(Br)=CC=C2)=C2/C1=N/NC(COC(C=CC=C3)=C3OC)=O,0.0
65341,CO-ADD:0160492,-2.32,N#CC1=C(C2=CC=C(OC)C=C2)C(C(NC3=CC=CC=C3)=O)=C(C)NC1=S,0.0
65342,CO-ADD:0250645,-2.33,[N+](=O)([O-])c1cc(OC)c(cc1\C=N\c(cc2)ccc2Nc3ccccc3)OC,0.0
65343,CO-ADD:0256759,-2.33,c1(non2)c2nc(Nc(cc3)ccc3C(OCC)=O)c(N\N=C\c(ccc(c4)N(CC)CC)c4OCc5ccc(cc5Cl)Cl)n1,0.0
65344,CO-ADD:0161971,-2.33,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c2cccc(cccc3)c23,0.0
65345,CO-ADD:0256341,-2.33,C(N)(SCC(=O)Nc(cc1)ccc1C)=N.Cl,0.0
65346,CO-ADD:0254930,-2.33,c1(ccc(cc1O)O)C(=O)N\N=C(/CC2)\CCC2c3ccccc3,0.0
65347,CO-ADD:0253117,-2.33,S(=O)(=O)(c1ccccc1[N+](=O)[O-])N(CCN2C(=O)c3ccc(cc3)C)C2,0.0
65348,CO-ADD:0254406,-2.33,N1(\C(=N\O)\c2nonc2N)N=N1,0.0
65349,CO-ADD:0254563,-2.33,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc4c(c(C)ccc5[N+](=O)[O-])c5)o4)\C1=O,0.0
65350,CO-ADD:0247532,-2.33,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(OC)=O,0.0
65351,CO-ADD:0249598,-2.33,N1(CNc(ccc(c2Cl)F)c2)C(=O)c(c3C1=O)cccc3,0.0
65352,CO-ADD:0252496,-2.33,c1(NC(OCC)=O)nnc(CCCCCCCC)s1,0.0
65353,CO-ADD:0247659,-2.33,[N+](=O)([O-])c1ccc(cc1)OC(c2ccccc2)C(=O)N\N=C(/C)\C=C\C3C(C)(C)CCC=C3C,0.0
65354,CO-ADD:0248035,-2.33,S(=O)(=O)(c1ccc(cc1)C)N2CCSC2c3ccc(cc3)Cl,0.0
65355,CO-ADD:0247433,-2.33,N(=C(/C)\c1ccc(cc1)CCCC(OCC)=O)/NC(COc2ccc(cc2Cl)Cl)=O,0.0
65356,CO-ADD:0249328,-2.33,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cccc4OCc5ccc(cc5Cl)Cl)c4,0.0
65357,CO-ADD:0160149,-2.33,O=C(C1=C2C=CC=C1)N(CN(C(C=C3)=CC=C3C)C(CCCCC)=O)C2=O,0.0
65358,CO-ADD:0160157,-2.33,O=C(N/N=C/C1=C(OC)C(OC)=CC=C1)C(C(O)=C2)=CC=C2O,0.0
65359,CO-ADD:0161313,-2.33,C1(C2c3cc(Br)ccc3OCC)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
65360,CO-ADD:0161337,-2.33,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCC(OC)=O)c3cccs3,0.0
65361,CO-ADD:0155208,-2.33,O=C(N/N=C/C=C/C1=CC=C(C)O1)C(C2=CC=CC=C2)(O)C3=CC=CC=C3,0.0
65362,CO-ADD:0155312,-2.33,S=C(NC1=CC=CC(Br)=C1)OC2=CC(C(NC3=C(C=CC=C4)C4=CC=C3)=O)=CC=C2,0.0
65363,CO-ADD:0155705,-2.33,O=C(C1=CC=CC=C1)NC2=C(C(N)=O)OC3=C2C=CC=C3,0.0
65364,CO-ADD:0155018,-2.33,N#CC1=C([C-](C#N)C#N)NC(C2CC2)(O)C(C1C3=CC=CC=C3)[N+](C=CC=C4)=C4C,0.0
65365,CO-ADD:0155026,-2.33,N#CC1=C(N)SC(N)=C(C#N)C1([H])C2=C(C(OC)=C(OC)C=C2)[N+]([O-])=O,0.0
65366,CO-ADD:0256869,-2.33,N1(c2ccc(cc2)Cl)C(=O)CC(N(Cc(cc3)ccc3OC)C(C)=O)C1=O,0.0
65367,CO-ADD:0256830,-2.33,C(=O)(c(cc1)ccc1C(=O)Nc(cc2)ccc2NC(C)=O)N(C3CCCCC3)C4CCCCC4,0.0
65368,CO-ADD:0250734,-2.33,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(C(OC)=O)c2,0.0
65369,CO-ADD:0250174,-2.33,c1(N\N=C\c2cccc(Cl)c2Cl)nncn1N.Cl.Cl,0.0
65370,CO-ADD:0156159,-2.33,S=C(N(C1=CC=CC=C1)C2=O)N(C3=CC=CC=C3)C(C2=CC4=CC=C(C=C4)C(C)C)=O,0.0
65371,CO-ADD:0156351,-2.33,CC1=CC(C)=NN2C1=NN=C2,0.0
65372,CO-ADD:0156383,-2.34,N#CC1=C(N)OC(CC(C)(C)C2)=C(C2=O)C1C3=CC=NC=C3,0.0
65373,CO-ADD:0156043,-2.34,[O-][N+](C(C=C1)=CC=C1/C=C/C=N/C2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)=O,0.0
65374,CO-ADD:0155860,-2.34,O=C(C(C)SCC1=CC=CC=C1)N/N=C/C2=CC=C(C=C2)OCC(C=C3)=CC=C3C,0.0
65375,CO-ADD:0155908,-2.34,N#CC1=C(N)OC(C)=C(C(C)=O)C1C2=CC=CC=C2C(F)(F)F,0.0
65376,CO-ADD:0155655,-2.34,O=C(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)N/N=C/C2=CC=C(O)C=C2,0.0
65377,CO-ADD:0254050,-2.34,C(=O)(Nc(cc1)ccc1N(CC)CC)c2ccc3c(c(ccc4)CC3)c24,0.0
65378,CO-ADD:0155079,-2.34,[O-][N+](/C=C/C1=CC2=C(C=C1)N(CC3=CC=CC=C3)C=C2)=O,0.0
65379,CO-ADD:0162891,-2.34,C(=O)(c1ccc(cc1)Cl)Oc2ccccc2\C=N\c(cc3)ccc3C,0.0
65380,CO-ADD:0255268,-2.34,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cc5c(cc4Cl)OCO5,0.0
65381,CO-ADD:0162899,-2.34,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C\c(cc3)ccc3OC(c4ccccc4)=O,0.0
65382,CO-ADD:0154467,-2.34,CC(C1=CNC2=CC=CC=C21)C(O)=O,0.0
65383,CO-ADD:0162490,-2.34,N1(c2ccc(cc2Cl)Cl)C(=O)CC(N(CC3)CCN3c4ccccc4)C1=O,0.0
65384,CO-ADD:0253776,-2.34,c12c(c3c(cccc3)[nH]1)nnc(SCC(NCCc(ccc(c4OC)OC)c4)=O)n2,0.0
65385,CO-ADD:0253729,-2.34,c1(CC(=O)Nc(cc2)ccc2OC)[nH]c(c3c1SC)cccc3,0.0
65386,CO-ADD:0254105,-2.34,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c2cccc(cccc3)c23)=O,0.0
65387,CO-ADD:0253437,-2.34,N1(c2cccc(Oc(ccc(c3C4=O)C(N4c5ccccc5)=O)c3)c2)C(=O)C(C6C1=O)C7CC6C=C7,0.0
65388,CO-ADD:0253461,-2.34,n(nnc1C(=O)N2CCCC2)(c1c3ccccc3)c4nonc4N,0.0
65389,CO-ADD:0256096,-2.34,c1(N(CC2)CCO2)nc(N\N=C/c(cc(I)cc3I)c3OC)nc(Nc(cc4)ccc4F)n1.Cl,0.0
65390,CO-ADD:0257019,-2.34,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
65391,CO-ADD:0256409,-2.34,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cc(OC)c(cc4Br)OCC(O)=O,0.0
65392,CO-ADD:0257021,-2.34,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
65393,CO-ADD:0159991,-2.34,O=C(N/N=C\C(C)=C\C1=CC=CC=C1)C2=CC=C(N=C2)C,0.0
65394,CO-ADD:0160479,-2.34,O=C(CCCC=C)NC1=CC=CC=C1Br,0.0
65395,CO-ADD:0256838,-2.34,N1(CCC[C@@H]2COC(=O)c3ccc(cc3)OC)C2CCCC1.Cl,0.0
65396,CO-ADD:0250098,-2.34,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
65397,CO-ADD:0255834,-2.34,S(=O)(=O)(c1ccc(cc1Br)Br)n2ccnc2CC,0.0
65398,CO-ADD:0250476,-2.35,c1(ccccc1NC(=O)c2cccs2)C(=O)N(CCC)CCC,0.0
65399,CO-ADD:0254455,-2.35,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)ccc4OC,0.0
65400,CO-ADD:0247813,-2.35,C(=C(/SCCS\C(\C(C)(C)O)=C/C(F)(F)F)\C(C)(C)O)/C(F)(F)F,0.0
65401,CO-ADD:0252294,-2.35,C(/C(C)=O)(\C(OCC)=O)=N/OC(=O)c1ccccc1Br,0.0
65402,CO-ADD:0253078,-2.35,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3[N+](=O)[O-])N(C)C)c3.Cl,0.0
65403,CO-ADD:0254446,-2.35,C(c1c(cccc1)OC2=O)(OS(c3ccccc3)(=O)=O)=C2N,0.0
65404,CO-ADD:0254982,-2.35,n1c(SCC(C)C)[nH]nc1NC(C)=O,0.0
65405,CO-ADD:0254645,-2.35,N1(c2ccc(cc2)C)C(c(cc3)ccc3C(OC)=O)Nc(c4C1=O)cccc4,0.0
65406,CO-ADD:0247789,-2.35,C1(c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2)=N\C(\C(=O)O1)=C/c3ccccc3I,0.0
65407,CO-ADD:0249012,-2.35,C(C(OCC)=O)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
65408,CO-ADD:0249751,-2.35,n1(nnc(C(=O)N\N=C(/CC2)\c3c(C2)cc(OC)cc3)c1c(cccc4[N+](=O)[O-])c4)c5nonc5N,0.0
65409,CO-ADD:0249421,-2.35,c1(NC(c2ccccc2)=O)n(c3ccccc3)ncc1C(=O)NCc4ccccc4,0.0
65410,CO-ADD:0137550,-2.35,O=C(NCCN1CCOCC1)C2=C(C3CCCCC3)SC(NC(C4=CC(NC(C5=CC=C(/C=C/C6=CC7=C(C=CC=C7)N=C6)C=C5)=O)=CN4C)=O)=N2.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
65411,CO-ADD:0160359,-2.35,O=C1/C(N=C(C2=CC=CC(Br)=C2)O1)=C/C3=CC(I)=C(OC(C)=O)C(OCC)=C3,0.0
65412,CO-ADD:0160551,-2.35,O=C(C1=CC(OC)=C(C(OC)=C1)OC)OC(C(Br)=CC(Br)=C2)=C2/C=N/NC(C3C(C4=CC=CC=C4)(C5=CC=CC=C5)C3)=O,0.0
65413,CO-ADD:0160454,-2.35,O=C(COC(C=CC=C1)=C1Br)N/N=C/C#C[Si](C)(C)C,0.0
65414,CO-ADD:0159857,-2.35,[O-]C1=C(CC)C(C)=N[N+](C=N2)=C1N2CC(OCC)=O,0.0
65415,CO-ADD:0159873,-2.35,O=C(C1=CC=C(C2=CC=CC=C2)C=C1)NC3=C4C(C(NC(C5=CC=C(C6=CC=CC=C6)C=C5)=O)=CC=C4)=CC=C3,0.0
65416,CO-ADD:0159754,-2.35,OC1(C2=CC=CC=C2)C3C(N(C)CC1)CCC3,0.0
65417,CO-ADD:0160050,-2.35,O=C(/C1=C/C2=CC=CS2)N(N=C1C)C3=CC(F)=CC=C3,0.0
65418,CO-ADD:0249947,-2.35,c1(OC(N)=C(C2c3ccccc3OC)C#N)c2c([nH]n1)C,0.0
65419,CO-ADD:0256280,-2.35,C(=C/c1cccc(OC)c1OC)(/C2=O)\C(C(OC)=O)=C(N2)C,0.0
65420,CO-ADD:0253985,-2.35,C(/C1)(=C/c(cc2)ccc2F)\C(=O)\C(\CN1Cc3ccccc3)=C/c(cc4)ccc4F,0.0
65421,CO-ADD:0156207,-2.35,[O-][N+](C1=CC=CC(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=CC(C)=C4)=C1O)=O,0.0
65422,CO-ADD:0154902,-2.35,ClC1=CC=CC=C1C2=NN=C(C3=CC=CN=C3)O2,0.0
65423,CO-ADD:0154966,-2.35,NC1=C(C(C2=CC=C(Br)C=C2)=O)SC3=NC(C)=CC(C(F)(F)F)=C13,0.0
65424,CO-ADD:0154771,-2.35,O=C(C1=CC=C(C)C=C1)N(C(C=C2)=CC=C2C)C3=NC(C4=CC=C(C(Cl)=C4)Cl)=CS3,0.0
65425,CO-ADD:0155931,-2.35,[O-][N+](C1=C(O)C(OC)=CC(/C=N/NC(C2=CC(Br)=CN=C2)=O)=C1)=O,0.0
65426,CO-ADD:0255822,-2.35,C(c(cc(OC(C)=O)cc1C(O2)=Nc(c3C2=O)ccc(Br)c3)c1)(O4)=Nc(c5C4=O)ccc(Br)c5,0.0
65427,CO-ADD:0155851,-2.36,[O-][N+](C1=CC=CC(NC(OC2=CC=C(C=C2)C(NC3=CC=C4C=CC=CC4=C3)=O)=S)=C1)=O,0.0
65428,CO-ADD:0155369,-2.36,O=C(C1=CC(C)=CC=C1)NC2=CC=C(C=C2)C(NC(C(C)=C3)=CC=C3I)=O,0.0
65429,CO-ADD:0155561,-2.36,[O-][N+](C(C=C1)=CC=C1C2=CC=C(/C=N/NC(C3=CC=NC=C3)=O)O2)=O,0.0
65430,CO-ADD:0255332,-2.36,C(C1c2ccccc2)(C3=C\C(\C(=O)O3)=N\c4ccccc4)=C(O)C(N1c5ccccc5)=O,0.0
65431,CO-ADD:0255285,-2.36,N1(c2ccccc2)C(=O)c3c(N=C1c(cc4)ccc4[N+](=O)[O-])cccc3,0.0
65432,CO-ADD:0162530,-2.36,c12c(NC(CN=C1c3ccc(cc3)F)=O)c4c(cccc4)o2,0.0
65433,CO-ADD:0154333,-2.36,ClC(C(C#N)=C1)=NC(N2CCCCC2)=C1C#N,0.0
65434,CO-ADD:0154460,-2.36,[H]N(C)CC1=CC2=CC=CC=C2N1C.Cl,0.0
65435,CO-ADD:0256308,-2.36,N1(c2ccc(cc2)OC(C)=O)C(=O)C3C(C(CC4)C=CC34)C1=O,0.0
65436,CO-ADD:0162103,-2.36,S(=O)(=O)(N(CC)CC)c1c(C)ccc(c1)C(=O)Oc(cccc2NC(c3ccccc3)=O)c2,0.0
65437,CO-ADD:0256902,-2.36,c1(N\N=C\c(cc(Cl)cc2Cl)c2O)sc(c3n1)cccc3,0.0
65438,CO-ADD:0256295,-2.36,c1(c(C)cccc1C)NC(=O)\C=C\c(ccc(c2OC)OC)c2,0.0
65439,CO-ADD:0256448,-2.36,c1(C#N)c(COC)cc(nc1N\N=C\c(cc2)ccc2\C=N\Nc3nc(C)cc(COC)c3C#N)C,0.0
65440,CO-ADD:0256249,-2.36,N(CCN1S(C)(=O)=O)(C1C(C)C)S(=O)(=O)c2ccc(cc2)C,0.0
65441,CO-ADD:0162135,-2.36,c1(occc1COc2ccccc2OC)C(O)=O,0.0
65442,CO-ADD:0254029,-2.36,N1(c(cc2)ccc2C(C)=O)C(=O)CC(N(CC3)CCN3c4ccccc4OC)C1=O,0.0
65443,CO-ADD:0250239,-2.36,C1(=O)OC2(C(=C)N1CCCCCCCCCCCC)CCCCC2,0.0
65444,CO-ADD:0250241,-2.36,C1(C2=O)C(C(C=C3)OC13C)C(N2c4ccc(cc4)F)=O,0.0
65445,CO-ADD:0156029,-2.36,COC1=CC=C(C=C1)C2=CSC(C3=NC(C(C=C4)=CC=C4OC)=CS3)=N2,0.0
65446,CO-ADD:0160635,-2.36,O=C(N(C1=C(Cl)C=C(Cl)C=C1)N=C/2C)C2=C\C3=CC=C(F)C=C3,0.0
65447,CO-ADD:0255601,-2.36,C(=O)(Nc1cccc(Cl)c1)C(c2ccccc2)NC(=O)c3ccc(c4n3)cccc4,0.0
65448,CO-ADD:0255363,-2.36,C(=O)(Nc(cc1)cc(c1Oc2ccc(c(cccc3)c23)Cl)Cl)c4cccs4,0.0
65449,CO-ADD:0256386,-2.36,c1(\N=C\c(ccc2c3ccc(cc3Cl)Cl)o2)[nH]c(c4n1)cccc4,0.0
65450,CO-ADD:0248212,-2.36,N(=C\c1cccc(OCC=C)c1)/NC(CC(C)C)=O,0.0
65451,CO-ADD:0247416,-2.37,n1(nnc(C(=O)N\N=C(/C)\c2cccs2)c1CN(CC3)CCO3)c4nonc4N,0.0
65452,CO-ADD:0253009,-2.37,N1C(SCC(=O)OC2CC(C)CCC2C(C)C)=NN=C(C)C1=O,0.0
65453,CO-ADD:0255184,-2.37,N1(CC)C(=O)\C(\SC1=S)=C/c(ccc(c2OC)OC)c2OC,0.0
65454,CO-ADD:0254536,-2.37,n1(c2ccccc2)nnnc1SCC(=O)c(ccc(c3O4)N(C4=O)C)c3,0.0
65455,CO-ADD:0252300,-2.37,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)C(=O)N\N=C\c(cc2)ccc2OC,0.0
65456,CO-ADD:0248841,-2.37,n1c(c2ccc(cc2)C)csc1N\N=C(\CC)/c3ccccc3,0.0
65457,CO-ADD:0252304,-2.37,N(/NC(CCCCC(=O)N\N=C(/CNC(C)=O)\CNC(C)=O)=O)=C(\CNC(C)=O)/CNC(C)=O,0.0
65458,CO-ADD:0249498,-2.37,C(=O)(Nc(cc1)ccc1Br)Nc2ccc(cc2Br)Br,0.0
65459,CO-ADD:0156031,-2.37,O=C(N/N=C(CCC)\C1=CC=C(OC)C=C1)C2C(C3=CC=CC(C)=C3)(C4=CC=CC(C)=C4)C2,0.0
65460,CO-ADD:0160230,-2.37,[O-][N+](C1=C(C)N=C(NC2=CC=CC(Cl)=C2)N=C1NC(C=C3)=CC=C3NC(C)=O)=O,0.0
65461,CO-ADD:0155961,-2.37,O=C1NC2=CC(NC(C3=CC=CO3)=O)=CC=C2N1,0.0
65462,CO-ADD:0161486,-2.37,n1(c(C)nn2)c2c(nc(non3)c13)Nc4cccc(Br)c4,0.0
65463,CO-ADD:0156009,-2.37,O=C(N1)/C(C2=C1C=CC(Br)=C2)=N\C3=CC=CC=C3C(O)=O,0.0
65464,CO-ADD:0156017,-2.37,OC(C=C1)=C(C=C1/N=C/C(C=C2)=CC=C2Br)C3=NC(C=C4C)=C(C=C4)O3,0.0
65465,CO-ADD:0160085,-2.37,O=C(C1=C2C=CC(C(OC)=O)=C1)N(C3=CC([N+]([O-])=O)=CC=C3)C2=O,0.0
65466,CO-ADD:0160586,-2.37,O=C(OC1=C(C=CC=C2)C2=CC=C1)[C@H]3[C@@H]([C@@H]4C[C@H]3C=C4)C(OC5=CC=CC6=C5C=CC=C6)=O,0.0
65467,CO-ADD:0253321,-2.37,C1(C(C)(C)N(C(=S)S1)C)N(C(c(cc2)ccc2[N+](=O)[O-])C(C3C(N4c5ccccc5)=O)C4=O)O3,0.0
65468,CO-ADD:0255648,-2.37,N(C(=O)\C(\S1)=C/C=C/c2ccccc2)=C1N(CC3)CCO3,0.0
65469,CO-ADD:0256985,-2.37,C(=O)(c1c2cccc1)OC(=N2)Cc(ccc(c3OC)OC)c3,0.0
65470,CO-ADD:0247606,-2.37,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cccc5[N+](=O)[O-])c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
65471,CO-ADD:0252291,-2.37,C(=S)(Nc1ccccc1)N(C)N(C)C(=S)Nc2ccccc2,0.0
65472,CO-ADD:0158675,-2.37,O=C1/C(N=C(C(C=C2)=CC=C2C(C)(C)C)O1)=C/C3=CC=C(OCCCC)C=C3,0.0
65473,CO-ADD:0158639,-2.37,O=C(COC1=CC(C=CC=C2)=C2C=C1)NC3=C(C)C=C(C)C=C3,0.0
65474,CO-ADD:0158509,-2.37,ClC1=C(Cl)C=CC(/C=N/NC2=NC(N3CCCC3)=NC(NC4=CC=CC=C4)=N2)=C1,0.0
65475,CO-ADD:0255824,-2.37,c1(sc(c(c(ccc(c2[N+](=O)[O-])OC)c2)n1)C)NC(=O)c(cccc3[N+](=O)[O-])c3,0.0
65476,CO-ADD:0253268,-2.37,c1(C(OCC)=O)c(cc(O)cc2)c2n(c3ccccc3)c1CN4CCCCC4,0.0
65477,CO-ADD:0156522,-2.37,O=C(C(C=CC=C1)=C1Cl)NC(SC2=C3)=NC2=CC=C3C(OC)=O,0.0
65478,CO-ADD:0250072,-2.37,c1(SCC(NCCCC)=O)sc2c(ccc(c2)NC(=O)c3ccccc3C)n1,0.0
65479,CO-ADD:0253246,-2.38,c1(ccc(cc1OC)\C=N\c(cc2)ccc2Nc3ccccc3)OC(C)=O,0.0
65480,CO-ADD:0155172,-2.38,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)N/N=C(C)/CC(NCC3=CC=CN=C3)=O,0.0
65481,CO-ADD:0256229,-2.38,c1(sc(c2n1)cccc2)n3c(C)cc(c4ccccc4)n3,0.0
65482,CO-ADD:0161942,-2.38,c1(ccccc1NC(c2ccccc2)=O)C(=O)N\N=C\c3cccs3,0.0
65483,CO-ADD:0162433,-2.38,C1(C)(C)C(CCC1(C)C(OC)=O)C(=O)Nc2ccccc2,0.0
65484,CO-ADD:0162153,-2.38,N1(CC(OCC)=O)C(=O)C(CC)(CC)C(N(C)C1=O)=S,0.0
65485,CO-ADD:0162769,-2.38,C(=O)(c1ccccc1C)Nc2ccccc2C(=O)N\N=C\c3ccccc3,0.0
65486,CO-ADD:0256670,-2.38,C1(C(OCCC#N)=O)=C(C)NC(NC1c2cccc(OC)c2)=O,0.0
65487,CO-ADD:0162743,-2.38,C(=N\c(cc1)ccc1C)(/c2c(N3)ccc(Br)c2)\C3=O,0.0
65488,CO-ADD:0162157,-2.38,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3F,0.0
65489,CO-ADD:0162861,-2.38,c1(OCC(=O)N\N=C\c(ccc(c2Br)O)c2)c(Br)cc(cc1Br)Br,0.0
65490,CO-ADD:0161905,-2.38,N1(CNc(cccc2[N+](=O)[O-])c2)C(=O)\C(\SC1=S)=C/c(cc3)ccc3C(C)C,0.0
65491,CO-ADD:0162886,-2.38,C(=O)(N\N=C(\C)/CC(=O)Nc(cc1)ccc1Cl)C(=O)Nc2cccc(Cl)c2C,0.0
65492,CO-ADD:0162814,-2.38,C(=O)(N\N=C\c(ccc(c1OC)OCc(cc2)ccc2Br)c1)C(OC)c3ccccc3,0.0
65493,CO-ADD:0161559,-2.38,c1(\C=N\NC(COc(cc2)ccc2Cl)=O)cc(OC)ccc1OC(C)=O,0.0
65494,CO-ADD:0161298,-2.38,c(C(=O)Nc(cccc1C(F)(F)F)c1)(c2N)sc3c2cc(c4n3)CCCCC4,0.0
65495,CO-ADD:0161306,-2.38,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(=O)Nc(cccc3C(F)(F)F)c3)c4ccccc4,0.0
65496,CO-ADD:0161467,-2.38,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N2CCCCCC2,0.0
65497,CO-ADD:0161304,-2.38,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCc3c(cccc3Cl)F)c4ccccc4,0.0
65498,CO-ADD:0161336,-2.38,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCCN(C)C)c3cccs3,0.0
65499,CO-ADD:0249959,-2.38,C(=N)(N1CCCCC1)\C(\C#N)=N\Nc(cc2)ccc2OC,0.0
65500,CO-ADD:0256099,-2.38,c1(N(C)C)nc(N\N=C/c(ccc2c(ccc(c3[N+](=O)[O-])Cl)c3)o2)nc(Nc(cc4)ccc4F)n1.Cl,0.0
65501,CO-ADD:0255214,-2.38,N1(c2ccc(cc2)F)C(=O)CC(N(Cc(cc3)ccc3OC)C(C)=O)C1=O,0.0
65502,CO-ADD:0248121,-2.39,C1(SC(C(OC)=O)(C(F)(F)F)C(F)(F)F)=C(C)N(N(c2ccccc2)C1=O)C,0.0
65503,CO-ADD:0247380,-2.39,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c(cc3)ccc3[N+](=O)[O-],0.0
65504,CO-ADD:0247863,-2.39,S1(=O)(=O)c(cccc2)c2C(N\N=C\c(ccc(c3OC)O)c3)=N1,0.0
65505,CO-ADD:0254464,-2.39,N(C(=O)c(cccc1C(Cl)(Cl)Cl)c1)c2c(cccc2Cl)Cl,0.0
65506,CO-ADD:0247679,-2.39,S(=O)(=O)(c1ccc(cc1)C)\N=C\c(cc2)ccc2N(C)C,0.0
65507,CO-ADD:0247511,-2.39,N1(\N=C\c2ccccc2Cl)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
65508,CO-ADD:0247497,-2.39,C(CSCc1ccccc1)(=O)N\N=C(/CC2)\CCC2C(C)(C)C,0.0
65509,CO-ADD:0252597,-2.39,n(c(N)c(C#N)cc1C#N)c1SCCCCCCCC,0.0
65510,CO-ADD:0252278,-2.39,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N(CC6)CCO6)n4.Br,0.0
65511,CO-ADD:0249755,-2.39,s1c(SCC(=O)Nc2c(C)cccc2C)nnc1\N=C\N(C)C,0.0
65512,CO-ADD:0249455,-2.39,c1(ccccc1OCC)C(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
65513,CO-ADD:0248998,-2.39,n1(c2cccc(cccc3)c23)nnnc1SCc4[nH]c(c5n4)cccc5,0.0
65514,CO-ADD:0252873,-2.39,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4cccs4,0.0
65515,CO-ADD:0249215,-2.39,[N+](=O)([O-])c(cccc1C(=O)N\N=C(\C(OCC)=O)/CC(=O)C(C)(C)C)c1,0.0
65516,CO-ADD:0160239,-2.39,O=C(C)C1=CC=C(OCCC)C(CN2CCOCC2)=C1.Cl,0.0
65517,CO-ADD:0160106,-2.39,O=C(N/N=C/C1=CC=C(C=C1)C(O)=O)C(NC2=CC=CC(C(F)(F)F)=C2)=O,0.0
65518,CO-ADD:0159912,-2.39,O=C(C1=CC(OC2=CC=C(C=C2)OC3=CC=C4C(N(C(C=CC=C5)=C5O)C(C4=C3)=O)=O)=CC=C61)N(C7=CC=CC=C7O)C6=O,0.0
65519,CO-ADD:0159753,-2.39,O=C(CC)O[C@@]1(C2=CC=CC=C2)[C@@H](CC)CN(C)CC1.Cl,0.0
65520,CO-ADD:0159793,-2.39,CC(/C=N/NC1=NC(N2CCOCC2)=NC(N3CCOCC3)=N1)=C\C4=CC=CC=C4,0.0
65521,CO-ADD:0160097,-2.39,O=C(O)C1=C(C)C(CC)=NC2=C1C=C(C(C(O)=O)=C(C)C(CC)=N3)C3=C2,0.0
65522,CO-ADD:0256945,-2.39,C(=O)(c(cc1)ccc1C(=O)Nc(cc2)ccc2Nc3ccccc3)N(C4CCCCC4)C5CCCCC5,0.0
65523,CO-ADD:0253925,-2.39,s1c(N)nnc1CC(=O)N\N=C\c(cc2)ccc2C,0.0
65524,CO-ADD:0256235,-2.39,c1([N+](=O)[O-])ncn(C)c1Sc2[nH]c(c3n2)cccc3,0.0
65525,CO-ADD:0253060,-2.39,c12c(ccc(cccc3)c13)c(C)cc(C)n2,0.0
65526,CO-ADD:0252405,-2.39,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(ccc4c5cccc(Cl)c5)o4)nc(Nc(cc6)ccc6C)n1.Cl,0.0
65527,CO-ADD:0155507,-2.39,O=S(N(C1C(C=C2)=CC=C2OCC3=CC=CC4=CC=CC=C34)N1C(C(CC5=CC=CC=C5)NS(C6=CC=C(C)C=C6)(=O)=O)=O)(C7=CC=C(C)C=C7)=O,0.0
65528,CO-ADD:0158671,-2.39,[O-][N+](C1=CC=C(C(/C=N/NC(CNC2=CC=C(C(C)=C2)C)=O)=C1)N(CC(C)C)CC(C)C)=O,0.0
65529,CO-ADD:0158539,-2.39,O=C(CCC(N/N=C(C)\C1=CC(C)=CS1)=O)N/N=C(C)/C2=CC(C)=CS2,0.0
65530,CO-ADD:0253576,-2.39,N1(CN(CC2)CCN2c(cccc3C(F)(F)F)c3)N=C(N(C)C1=S)COc(cc4)ccc4C5CCCCC5,0.0
65531,CO-ADD:0253753,-2.39,C1(C(=O)OC2CCCCCC2)=C(C)NC(NC1c3cccc(Cl)c3)=O,0.0
65532,CO-ADD:0256798,-2.39,N(C(=O)\C(\S1)=C\c(ccc(c2OCC)O)c2)=C1N3CCC(CC3)C,0.0
65533,CO-ADD:0253241,-2.39,S1(=O)(=O)c(cccc2)c2C(N(C)\N=C\c3cc(Br)ccc3O)=N1,0.0
65534,CO-ADD:0250675,-2.4,N1c(ccc(c2)C)c2C3C(CC=C3)C1c4ccc(cc4)\N=C\c5ccc(cc5Cl)Cl,0.0
65535,CO-ADD:0253148,-2.4,S(=O)(=O)(c(cccc1C(=O)Nc(cc2)ccc2C)c1)N3CCCC3,0.0
65536,CO-ADD:0256343,-2.4,c1(SCC(=O)Nc2c(Br)cc(cn2)Br)oc(c3n1)cccc3,0.0
65537,CO-ADD:0256648,-2.4,n1c(c2ccccc2)c([nH]c1c3ccc(c4cccc(Cl)c4)o3)c5ccccc5,0.0
65538,CO-ADD:0250637,-2.4,N(CN(CC1)CCN1C(OCC)=O)(N=C(N2c3ccccc3)c4cccc(Br)c4)C2=S,0.0
65539,CO-ADD:0250259,-2.4,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c5cccc(c5)OCc6cccc(cccc7)c67)\C1=O)=NC(C)=C2C(OCC)=O,0.0
65540,CO-ADD:0256895,-2.4,n1(C)c(SCc(cc2)ccc2c3ccccc3)nnc1c(cc4)ccc4C(C)(C)C,0.0
65541,CO-ADD:0250687,-2.4,S(=O)(=O)(Nc(cc1)ccc1OCCCC)C2=C(C)NC(NC2=O)=O,0.0
65542,CO-ADD:0250394,-2.4,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4)ccc4OCc5c(cccc5Cl)F)\C1=O,0.0
65543,CO-ADD:0250354,-2.4,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)NCc(cc4)ccc4OC,0.0
65544,CO-ADD:0256668,-2.4,C1(C(=O)OCC(C)C)=C(C)NC(=O)NC1c(cc2)ccc2N(CC)CC,0.0
65545,CO-ADD:0253708,-2.4,N(c(cccc1C(=O)N\N=C\c(cc2)ccc2C(O)=O)c1)(C3)Cc4c3cc(c(C)c4)C,0.0
65546,CO-ADD:0253661,-2.4,C1(c2ccccc2Cl)Nc(ccc(c3)C(O)=O)c3C(C(C4Sc5ccccc5[N+](=O)[O-])Cl)C1C4,0.0
65547,CO-ADD:0256278,-2.4,C(C(OC)=O)(=C1C)\C(=C\c(cc2)ccc2OCC=C)\C(N1CCOC)=O,0.0
65548,CO-ADD:0161344,-2.4,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCC(=O)c3cccs3)c4cccs4,0.0
65549,CO-ADD:0161508,-2.4,S(c1ccccc1)(=O)(=O)NCC(OCCC)=O,0.0
65550,CO-ADD:0256492,-2.4,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(cc4)ccc4Br)\C1=O,0.0
65551,CO-ADD:0257141,-2.4,c1(NC(=O)CN(CC2)CCO2)nnc(SCC(=O)Nc(cc3)ccc3[N+](=O)[O-])s1,0.0
65552,CO-ADD:0159839,-2.4,O=C(NC1=CC=C(C=C1)C2=NC(C=C3)=C(C=C3C)S2)C4=C(Cl)C=C(Cl)C=C4,0.0
65553,CO-ADD:0161081,-2.4,C(COc(cc1)ccc1OCc2ccccc2)(=O)N\N=C\c(cccc3Oc4ccccc4)c3,0.0
65554,CO-ADD:0255540,-2.4,c(cc(Br)c(c1)OC)(c1OC)\C=C(/C#N)\C#N,0.0
65555,CO-ADD:0247607,-2.4,C(=O)(N\N=C\c(ccc(c12)OCO1)c2)c3ccc(c(O)c3)I,0.0
65556,CO-ADD:0252279,-2.4,n1c(c2ccc(cc2)I)csc1Nc(ccc(c34)OCO3)c4.Br,0.0
65557,CO-ADD:0248253,-2.4,c1(ccc(cc1N(CC2)CCN2CCO)N(CC3)CCO3)[N+](=O)[O-],0.0
65558,CO-ADD:0253008,-2.4,c1(SCC(=O)OC2CC(C)CCC2C(C)C)nc(C)cc(C)n1,0.0
65559,CO-ADD:0247459,-2.4,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C(/C)\c4ccco4,0.0
65560,CO-ADD:0247471,-2.4,C12(CC3CC(CC(C3)C1)C2)C(=O)\C=C\c(cc4)ccc4[N+](=O)[O-],0.0
65561,CO-ADD:0247484,-2.4,c1(ccc(c(c2c(cn3)cccc2)c13)C)[N+](=O)[O-],0.0
65562,CO-ADD:0247654,-2.4,c1(SCc2cccc(CSc3oc(c4n3)cccc4)n2)oc(c5n1)cccc5,0.0
65563,CO-ADD:0249613,-2.4,c1(Sc2ccc(cc2[N+](=O)[O-])C(C)=O)sc3c(ccc(OCC)c3)n1,0.0
65564,CO-ADD:0249066,-2.4,N1(C(=O)c2ccccc2O)N=C(CC1(O)c3cccc(OC)c3)C(F)(F)F,0.0
65565,CO-ADD:0249437,-2.41,n1(nnc(C(OCC)=O)c1CN2CCc(c3C2)cccc3)c4nonc4N,0.0
65566,CO-ADD:0252513,-2.41,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)N\N=C\c(cc2)ccc2OCC)c3c(OC)ccc(Cl)c3,0.0
65567,CO-ADD:0256121,-2.41,c1(non2)c2nc(Nc(cc3)ccc3F)c(N\N=C\c(ccc4c5ccc(cc5Cl)Cl)o4)n1,0.0
65568,CO-ADD:0255574,-2.41,[n+]12c(cccc1)N=C(O[B-]2(CCCC)CCCC)C\C(\N)=C(/C#N)\C(OCC)=O,0.0
65569,CO-ADD:0252328,-2.41,S(=O)(=O)(N(CC)CC)c(cc(C(=O)c(c12)cc(cc1[N+](=O)[O-])S(=O)(=O)N(CC)CC)c2c3[N+](=O)[O-])c3,0.0
65570,CO-ADD:0248155,-2.41,c12c(nnc(SCC(=O)Nc3nnc(SCC)s3)n1)c4c(cccc4)n2CC=C,0.0
65571,CO-ADD:0156208,-2.41,[O-][N+](C1=CC(C(OC/2=O)=NC2=C/C3=C(C=CC=C4)C4=CC=C3)=CC([N+]([O-])=O)=C1)=O,0.0
65572,CO-ADD:0156433,-2.41,O=C1NC(C=C2/N=C/C3=C(O)C=C(O)C=C3)=C(C=C2)N1,0.0
65573,CO-ADD:0156489,-2.41,N#CC1=C(SC2=C1CCCC2)NC(C3=C(Cl)C=CC(S(N4CCCCC4)(=O)=O)=C3)=O,0.0
65574,CO-ADD:0155877,-2.41,ClC1=CC=C(C=C1)C2=C(C3=CC=CC=C3)SC(NC4=CC=CC5=C4C=CC=C5)=N2,0.0
65575,CO-ADD:0156138,-2.41,O=C(N/N=C/C1=CC=CC(OC)=C1OC)C2=CC(F)=CC=C2,0.0
65576,CO-ADD:0155870,-2.41,N#CC1=C(SCC(NC(C(C)=C2)=CC=C2C)=O)N=C(C)C=C1COC,0.0
65577,CO-ADD:0255916,-2.41,S(c1ccccc1)(=O)(=O)N(CC(NCCSc2ccccn2)=O)c3c(OC)ccc(Cl)c3,0.0
65578,CO-ADD:0163366,-2.41,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c(cc2)ccc2OC(COc3ccc(cc3Cl)Cl)=O,0.0
65579,CO-ADD:0256987,-2.41,c1(O2)c(c3c(NC2c4cc(Br)ccc4OC)cccc3)nnc(SCCC)n1,0.0
65580,CO-ADD:0254051,-2.41,N1(c2ccc(c(Cl)c2)Cl)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
65581,CO-ADD:0250365,-2.41,C(=N/c1ccc(cc1C)C)(/S\C(\C2=O)=C\c(ccc3c(ccc(c4C(O)=O)Cl)c4)o3)\N2,0.0
65582,CO-ADD:0156558,-2.41,O=C(C(C1=CC=CC=C1)=C2)OC3=C2C=CC(O)=C3,0.0
65583,CO-ADD:0253295,-2.41,c1(cc(OC)cc(cccn2)c12)NC(=O)c(cc3OC)cc(c3OC)OC,0.0
65584,CO-ADD:0162492,-2.41,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(=O)Nc3cccc(Cl)c3,0.0
65585,CO-ADD:0256302,-2.41,N1C(=O)CC(S\C(\NCc(ccc(c23)OCO2)c3)=N\c4ccccc4)C1=O,0.0
65586,CO-ADD:0162914,-2.41,C(=O)(c1cccc(Br)c1)Nc2ccc(cn2)Cl,0.0
65587,CO-ADD:0256982,-2.41,c1(c2ccc(cc2)\N=C\c3cccc(cccc4)c34)sc5c(ccc(C)c5)n1,0.0
65588,CO-ADD:0162411,-2.41,C(=O)(Nc(cc1)ccc1C(=O)Nc2ccccc2C(O)=O)c3ccccc3Br,0.0
65589,CO-ADD:0162533,-2.41,c1(c(O)c(cc(c1)[N+](=O)[O-])\C=C(\C2=O)/Sc(c23)cccc3)[N+](=O)[O-],0.0
65590,CO-ADD:0162481,-2.41,n1(C)cnnc1SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3,0.0
65591,CO-ADD:0161529,-2.41,c1(CC(=O)Nc(cc2)ccc2Cl)c(SC)c3c(cccc3)n1C,0.0
65592,CO-ADD:0161569,-2.41,C(CNc(cc1)ccc1C)(=O)N\N=C\C(\C)=C\c(cc2)ccc2C(C)C,0.0
65593,CO-ADD:0257157,-2.41,n1(cnnc1N\N=C\c2ccccc2C(F)(F)F)\N=C/c3ccccc3C(F)(F)F,0.0
65594,CO-ADD:0257165,-2.41,N1(c2ccc(cc2)Br)C(=O)CC(N(CCc(cc3)ccc3OC)C(CC)=O)C1=O,0.0
65595,CO-ADD:0255758,-2.41,C1(C(=O)OCC(C)C)=C(C)NC(NC1c2cccc(OC)c2)=O,0.0
65596,CO-ADD:0250003,-2.41,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2Cl)Cl,0.0
65597,CO-ADD:0255869,-2.41,N(CN1CCC(CC1)C)(N=C(N2C)c3cccc(OC)c3)C2=S,0.0
65598,CO-ADD:0250590,-2.41,c1(SCC(=O)NC2CC2)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
65599,CO-ADD:0253231,-2.41,c12c(nnc(SC(CC)C(=O)Nc(cc3)ccc3S(N)(=O)=O)n1)c4c(cccc4)n2CC=C,0.0
65600,CO-ADD:0252758,-2.41,C1(=C(C)C(=O)C(=C2C#N)Br)N2C(CS1)CBr.Br,0.0
65601,CO-ADD:0255170,-2.41,c(\C=N\NC(=O)c1ccc(cc1)Cl)(cc(I)cc2I)c2O,0.0
65602,CO-ADD:0254387,-2.42,C12(C)C(C)(C)C(CC1OC(=O)c(c3)cc(cc3[N+](=O)[O-])[N+](=O)[O-])CC2,0.0
65603,CO-ADD:0254487,-2.42,S(CCCC)(=O)(=O)C1C(C(CC12)C=C2)\C=C/S(CCCC)(=O)=O,0.0
65604,CO-ADD:0252569,-2.42,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C(\CC3)/CCC3c4ccccc4)c5nonc5N,0.0
65605,CO-ADD:0252740,-2.42,N(\C(=C\c(cc1)ccc1N(CC)CC)\C(O2)=O)=C2c3ccc(cc3)Br,0.0
65606,CO-ADD:0249119,-2.42,n12c(ccc(N3CCCCC3)n1)nnc2C(F)(F)F,0.0
65607,CO-ADD:0254820,-2.42,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c(cc3)ccc3[N+](=O)[O-],0.0
65608,CO-ADD:0254972,-2.42,c1(SCC(=O)Nc(cc2)ccc2CC)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
65609,CO-ADD:0252978,-2.42,N1(C(=O)c(cc2)ccc2[N+](=O)[O-])N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
65610,CO-ADD:0149605,-2.42,C#CCN(CC1=CC2=CC(OCCCC3CCN(CC4=CC=C(C=C4)C#N)CC3)=CC=C2N1C)C,0.0
65611,CO-ADD:0149783,-2.42,NC1=C2C(CCN(CC3=CC=CC=C3)C2)=NC4=CC=CC=C41,0.0
65612,CO-ADD:0153082,-2.42,CN1C=C(NC(C2=CC(NC(C3=CC=CC(OC)=C3)=N)=CN2C)=O)C=C1C(NC4=CN(C)C(C(NCCCN5CCOCC5)=O)=C4)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
65613,CO-ADD:0153046,-2.42,NC1=C(CNC2=CC=C(C(C)(C)C)C=C2)C=NC(C)=N1,0.0
65614,CO-ADD:0148787,-2.42,c(OCO1)(c1c2OC)c(OC)c(CC(O)CC(c(ccc(OC)c3)c3)N)c2,0.0
65616,CO-ADD:0148925,-2.42,c1(cn(n2)c3ccc(cc3)OC)c2cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
65617,CO-ADD:0148877,-2.42,C1(O)=C(c2ccc(c(O)c2)O)Oc(cc(O)cc3O)c3C1=O,0.0
65619,CO-ADD:0148886,-2.42,C1(C#N)=C(N)Oc2c(ccc(O)c2)C1c3cc(OC)ccc3OC,0.0
65620,CO-ADD:0140025,-2.42,O=[N+](C1=CC=C(C2=CC=CC=C2NC3=CC=CC=C3Br)C=C1)[O-],0.0
65621,CO-ADD:0140041,-2.42,C1(C2=C(NC3=CC=CC=C3)C=CC=C2)=NC=CC=N1,0.0
65622,CO-ADD:0149800,-2.42,Br[C@H](CC1)[C@@H](Br)C[C@H]1NC(C(F)(F)F)=O,0.0
65623,CO-ADD:0149628,-2.43,CN(C(C(NCC1=CC=CC=C1)=O)=C2)C(C2=C3)=CC=C3OCCCC(CC4)CCN4CC5=CC=CC=C5,0.0
65628,CO-ADD:0149463,-2.43,C(Nc(ccc(OC(F)(F)F)c1)c1)(CN(C(=O)C)C2=O)=C2,0.0
65631,CO-ADD:0149416,-2.43,c(C1C(C#N)=C(N)Oc(cc2OC)c1cc2)(cc3)ccc3OC,0.0
65632,CO-ADD:0149516,-2.43,c(C(=O)\C=C\c(c1)c(OC)c(OC)c(OCO2)c12)(c3Br)cc(OC)c(OC)c3,0.0
65633,CO-ADD:0153063,-2.43,CC(C)CCC1=C(C(NCCCN(C)C)=O)N=C(NC(C2=CC(NC(C3=CC(NC(CCC(O)=O)=O)=CN3C)=O)=CN2C)=O)S1.OC(C(F)(F)F)=O,0.0
65634,CO-ADD:0149777,-2.43,NC(N=C(NCC#C)N=C1)=C1C#N,0.0
65635,CO-ADD:0149806,-2.43,O[C@@H](CC1)CC[C@H]1NC(OC(C)(C)C)=O,0.0
65636,CO-ADD:0149655,-2.43,ClC(N=C(NCC#C)C(C#N)=C1)=C1C#N,0.0
65637,CO-ADD:0149834,-2.43,NC(C(C#N)=C1)=NC(N(C)C)=C1C#N.Cl,0.0
65638,CO-ADD:0137906,-2.43,COC1=C(/C=C/C(C2=CC=CS2)=O)C=C(OC)C3=C1OCO3,0.0
65639,CO-ADD:0148703,-2.43,c1(C(c(cc2)ccc2F)=O)c(N)c(cc3c(CCCC3)n4)c4s1,0.0
65640,CO-ADD:0148631,-2.43,c(C1c(c2c(cc3)cnc3)c([nH]n2)OC(N)=C1C#N)(c(OC)c(OCO4)c45)cc5OC,0.0
65641,CO-ADD:0149321,-2.43,c(cc(\C=C\c(cc1O)ccc1OC)c2)c(OC3)c2OC3,0.0
65642,CO-ADD:0148858,-2.43,C1(C(C)=O)=C(C)NC(NC1c2ccc(c(OC)c2)O)=S,0.0
65643,CO-ADD:0149066,-2.43,c1(C=Cc(ccc2)c3c2OC)c(O3)cc(N)cc1,0.0
65644,CO-ADD:0137816,-2.43,COC1=C(OC)C(OC)=CC(C2=CC=CC3=CC4=C(OCO4)C=C32)=C1,0.0
65645,CO-ADD:0149482,-2.43,c(c(OC)c1OC)c(c2onc(NC(=O)C)c2c(cc3)ccc3OC)cc1OC,0.0
65647,CO-ADD:0148595,-2.43,CC1C(N(CC2=CC=C(OC)C=C2)C1(CC3=CN(C(OC(C)(C)C)=O)C4=C3C=CC=C4)C(OC(C)(C)C)=O)=O,0.0
65648,CO-ADD:0147061,-2.43,COC(c1ccc(S[Pt+]2(C)([N+]3=C(C4=CC=CC=[N+]42)C=CC=C3)(C)C)cc1)=O,0.0
65649,CO-ADD:0149133,-2.43,C(O1)Oc(cc(NC(=O)C(=O)c(c(cc2)c([nH]3)cc2F)c3)cc4)c14,0.0
65650,CO-ADD:0148892,-2.44,c12c(CC(=O)OC1c3ccc(cc3)OC)cc(OC)c(OC)c2,0.0
65651,CO-ADD:0149165,-2.44,c(c1)c([nH]2)c(c(C(=O)C(=O)Nc(c3)cc(OC)c(OC)c3OC)c2)cc1,0.0
65652,CO-ADD:0148830,-2.44,c(OC=C(c(ccc(OC)c1)c1)C2=O)(c23)cc(OC)c(OC)c3,0.0
65654,CO-ADD:0148923,-2.44,c(N)(nn1)nnc1N,0.0
65657,CO-ADD:0137818,-2.44,COC1=CC=C(C2=CC=CC3=C(OC)C(OC)=C(OC)C(OC)=C32)C=C1,0.0
65659,CO-ADD:0137826,-2.44,O=C(C1=CC=CS1)N/N=C/CC2=CC3=C(OCO3)C(OC)=C2OC,0.0
65660,CO-ADD:0149739,-2.44,CN1C(C2C3=C(N=C(CCC4)C4=C3N)OC(C)=C2C(OCC)=O)=NC=C1,0.0
65661,CO-ADD:0148835,-2.44,c(c(OC(=O)C=C1c(cc2)ccc2OC)c1cc3)c3O,0.0
65662,CO-ADD:0148867,-2.44,c(NC(=O)c1ccc(cc1)Br)(s2)c(C#N)c(c2C(=O)N3CCCCC3)C,0.0
65663,CO-ADD:0149029,-2.44,c(N)(c(nc[nH]1)c12)cc(C(=O)OC)c2.Cl.Cl,0.0
65664,CO-ADD:0149077,-2.44,CCOc1c(OCC)ccc(c2c[nH]nc2N)c1,0.0
65666,CO-ADD:0149457,-2.44,c(c1ccc(Cl)cc1)(c(N)on2)c2c3ccc(OC)cc3,0.0
65667,CO-ADD:0149006,-2.44,n1c2c([nH]c1C(F)(F)F)cccc2N.Cl.Cl,0.0
65669,CO-ADD:0149323,-2.44,C(c1c(cc(OC)cc1)O2)(c(cc(OCO3)c3c4OC)c4)CC2=O,0.0
65671,CO-ADD:0149740,-2.44,CN1C(C2C3=C(N=C(CCCCC4)C4=C3N)OC(C)=C2C(OCC)=O)=NC=C1,0.0
65672,CO-ADD:0149745,-2.44,NC1=C(C(C2=CC=CC=C2)=C(C(N(CC#C)CC3=CC=CC=C3)=N1)C#N)C#N,0.0
65673,CO-ADD:0149749,-2.44,C#CCNC(C(C#N)=C1)=NC(NCCCCC2CCN(CC3=CC=CC=C3)CC2)=C1C#N,0.0
65674,CO-ADD:0149040,-2.44,c(C(=O)C(N)=O)(c1c(n2Cc3ccc(cc3Cl)Cl)cccc1)c2,0.0
65675,CO-ADD:0148992,-2.44,c1(nc(c2n1Cc3ccccc3F)cccc2)c4nonc4N,0.0
65676,CO-ADD:0148670,-2.45,c12c(C(CC(=O)N1)c3ccc(cc3)OC)snc2c4ccc(cc4)F,0.0
65677,CO-ADD:0149065,-2.45,C(c1ccc(c(OC)c1)OC)(O2)=C(c3ccc(OC)c(OC)c3)OC2=O,0.0
65678,CO-ADD:0140011,-2.45,O=[N+](C1=CC=C(C2=CC=CC=C2NC3=CC=CC=C3)C=C1)[O-],0.0
65679,CO-ADD:0148713,-2.45,c1(n[nH]cc1c2ccc(cc2)OC)c3ccc(cc3O)O,0.0
65680,CO-ADD:0148721,-2.45,c1(oncc1c2ccc(c(OC)c2)OC)c3ccc(cc3O)O,0.0
65681,CO-ADD:0149113,-2.45,N12[C@]([H])(c3ccccc3)[C@]([C@@]([H])(c4ccccc4)N[C@]1([H])c5ccccc5)(C(c6ccccc6)=N[C@@]2([H])c7ccccc7)[H],0.0
65683,CO-ADD:0148810,-2.45,c1n[nH]c(c(ccc(OC)c2)c2)c1c(cc(OC)c(OC)c3OC)c3,0.0
65685,CO-ADD:0149693,-2.45,C=C(C1)N2C(C(C#N)=CC(C#N)=C2N1C)=N,0.0
65686,CO-ADD:0149844,-2.45,BrC(/C(OC1=C2C=CC3=C1C=CC=C3)=NBr)(C2C4=CC([N+]([O-])=O)=CC=C4)C#N,0.0
65687,CO-ADD:0149665,-2.45,NC(C(C#N)=C1)=NC(NCCCCC2CCN(CC3=CC=CC=C3)CC2)=C1C#N,0.0
65688,CO-ADD:0149667,-2.45,C#CCNC(C(C#N)=C1C2=CC=CC=C2)=NC(OC)=C1C#N,0.0
65689,CO-ADD:0149672,-2.45,NC(C(C#N)=C1)=NC(OCC)=C1C#N,0.0
65690,CO-ADD:0149730,-2.45,O=C1NC(C2=CC=C(C=C2)OC)=CC(C3=C(Cl)N=C(C=C(F)C=C4)C4=C3)=C1,0.0
65691,CO-ADD:0149677,-2.45,NC1=C2C(CCCC2)=NC3=C1C=C(C=C3)[N+]([O-])=O,0.0
65692,CO-ADD:0137658,-2.45,c(cc1c2ccccc2)(c3c(n1)ccc(Cl)c3)C(=O)Nc(cc4)ccc4Br,0.0
65693,CO-ADD:0149682,-2.45,C=C=CCN(CC1=CC2=CC(OCC3=CC=CC=C3)=CC=C2N1C)C.O=C(O)C(O)=O,0.0
65694,CO-ADD:0149866,-2.45,ClC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC=CC=C4)C#N,0.0
65695,CO-ADD:0137689,-2.45,c1(non2)c2nc(c(Nc(ccc(OCCO3)c34)c4)n1)Nc(ccc(OCCO5)c56)c6,0.0
65696,CO-ADD:0137671,-2.45,c12c(CCNC1c(ccc3c4Cc(c35)cccc5)c4)cc(c(OCC)c2)OCC,0.0
65697,CO-ADD:0137725,-2.45,Cn1c([N+](=O)[O-])cnc1C(=O)N(C)C,0.0
65698,CO-ADD:0137683,-2.45,c1(s2)c(c(N)c2C(c(cc3)ccc3OC)=O)cc4N5CCC(c4n1)CC5,0.0
65699,CO-ADD:0137625,-2.45,c1(C(=O)NN=Cc(c(Cl)ccc2[N+](=O)[O-])c2)nonc1N,0.0
65700,CO-ADD:0137627,-2.45,c(C(c1ccccc1)=O)(sc(c23)nc(cc2c4cccs4)c5cccs5)c3N,0.0
65701,CO-ADD:0149707,-2.45,NC(C(C#N)=C1C2=CC=CC=C2)=NC(OC)=C1C#N,0.0
65702,CO-ADD:0140028,-2.45,O=[N+](C1=CC=C(C2=CC=CC=C2NC3=C(C)C=C(C)C=C3C)C([N+]([O-])=O)=C1)[O-],0.0
65703,CO-ADD:0137638,-2.46,c1(C(=O)NN=Cc(cc2)cc(c2N(C)C)Br)nonc1N,0.0
65704,CO-ADD:0140030,-2.46,O=[N+](C1=CC=CC=C1C2=CC=CC=C2NC3=C(C)C=CC=C3C)[O-],0.0
65705,CO-ADD:0248377,-2.46,ClC1=CC=C(N(CC2=CC=C(Cl)N=C2)C(C3=CSC=N3)=N4)C4=C1,0.0
65706,CO-ADD:0248364,-2.46,NC1=C(C(N2C3=CC=CC=C3)=NC4=C(C=CC=C4)C2=O)SC(NC5=CC=C(CC)C=C5)=N1,0.0
65707,CO-ADD:0255751,-2.46,C1(C(=O)OCC(C)C)=C(C)NC(NC1c2ccccc2OCCC)=O,0.0
65708,CO-ADD:0250469,-2.46,c1(NC(=O)c2ccccc2F)n(c3ccccc3)ncc1C(OCC)=O,0.0
65709,CO-ADD:0255568,-2.46,[N+](=O)([O-])c(c(C)ccc1C(=O)N2CCC(CC2)Cc3ccccc3)c1,0.0
65710,CO-ADD:0256608,-2.46,n(c1C)(nnc1C(=O)N(CC2)CCO2)c3nonc3N,0.0
65711,CO-ADD:0255400,-2.46,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc4OC)cc(c4OCC=C)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
65712,CO-ADD:0255730,-2.46,N1(c2cccc(Cl)c2)C(=O)c3c(N=C1c4ccccc4F)cccc3,0.0
65713,CO-ADD:0254055,-2.46,C1(N(c2ccc(cc2)C)CCN1c3ccc(cc3)C)c4cccc(OC)c4OC,0.0
65714,CO-ADD:0247883,-2.46,C(=C\c1ccccc1)/C(=O)c2cccc(c2)NC(=O)\C=C\c3ccccc3,0.0
65715,CO-ADD:0252898,-2.46,C(=N\c1cccc(C)c1)(/S\C(\C2=O)=C\c3ccco3)\N2,0.0
65716,CO-ADD:0253054,-2.46,c(C(=O)N1CCCCCC1)(sc(c2C(OCC)=O)N)c2C,0.0
65717,CO-ADD:0252681,-2.46,c12c(ccc(OC)c1OC)C(OC2=O)Nc(cccc3\C=C/C(O)=O)c3,0.0
65718,CO-ADD:0248887,-2.46,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c4cccc(Cl)c4)C2,0.0
65719,CO-ADD:0248947,-2.46,c12c(nnc(SCC(N)=O)n1)c3c(cccc3)n2CC=C,0.0
65720,CO-ADD:0249067,-2.46,N1(C(=O)c2cccc(OC)c2)C(O)(c(cc3)ccn3)CC(C(F)(F)F)=N1,0.0
65721,CO-ADD:0250626,-2.46,N1(CC)C(=O)\C(\SC1=S)=C/c(cc(OCO2)c2c3)c3Cl,0.0
65722,CO-ADD:0253347,-2.46,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)N1)=C\c3ccccc3OC,0.0
65723,CO-ADD:0253559,-2.46,N1(CN(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])C(=O)C=CC(O)=N1,0.0
65724,CO-ADD:0250721,-2.46,C(=C\c(cc1OC)cc(c1O)OC)(/C(=O)NN2c3ccccc3)\C2=O,0.0
65725,CO-ADD:0256414,-2.46,N1(C(c2ccccc2)CC(c3ccccc3)=N1)c4scc(c5ccc(c(C)c5)C)n4,0.0
65726,CO-ADD:0256672,-2.46,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Br)CC(NCCSc3sc(c4n3)cccc4)=O,0.0
65727,CO-ADD:0255282,-2.47,c1([N+](=O)[O-])nn(c(C)c1Br)CC(=O)Nc2n(C)c3c(cccc3)n2,0.0
65728,CO-ADD:0255586,-2.47,[N+](=O)([O-])c(c(C)c(\N=C\c1ccccc1)cc2[N+](=O)[O-])c2,0.0
65729,CO-ADD:0255411,-2.47,C1(c2ccccc2Cl)=N\C(\C(=O)O1)=C/c(cc3)ccc3OC(c4ccccc4)=O,0.0
65730,CO-ADD:0256906,-2.47,P(OCC)(O)(=O)c1cccc(OCCOCCOCCOc(cccc2P(OCC)(O)=O)c2)c1,0.0
65731,CO-ADD:0257041,-2.47,c(c(C)[nH]n1)(c1O)Cc(c(C)[nH]n2)c2O,0.0
65732,CO-ADD:0257177,-2.47,c12c(n(c(Oc(cc3)c(OC)cc3C4Nc(ccc(c56)cccc5)c6C(CC(C)(C)CC7=O)=C47)n1)C)C(N(C)C(=O)N2C)=O,0.0
65733,CO-ADD:0252237,-2.47,c1(\C=N\c2ccccc2CC)c(O)c(O)c(c(cc(C)c3c(c(C)cc(c45)c(C(C)C)c(c(O)c4\C=N\c6ccccc6CC)O)c5O)c1c3O)C(C)C,0.0
65734,CO-ADD:0247572,-2.47,N1(c2cccc(c2)C(OC)=O)C(=O)c3c(cc(cc3)Oc(cccc4[N+](=O)[O-])c4)C1=O,0.0
65735,CO-ADD:0254881,-2.47,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4)N(CC)CC)c4O)\C1=O,0.0
65736,CO-ADD:0249487,-2.47,[N+](=O)([O-])c(cccc1C(=O)N\N=C(/C)\c2ccccc2)c1,0.0
65737,CO-ADD:0254947,-2.47,c1(C#N)c(COC)cc(nc1N\N=C\c(cc(OCO2)c2c3)c3Br)C,0.0
65738,CO-ADD:0255325,-2.47,[n+]1([O-])onc2c1CCCC2=O,0.0
65739,CO-ADD:0256391,-2.47,c12c(c3c(CCCC3)s1)C(OC(c4ccccc4)=N2)=O,0.0
65740,CO-ADD:0256456,-2.47,C1(C(=O)Nc(c(C)ccc2[N+](=O)[O-])c2)C3C1CC\C=C/CC3,0.0
65741,CO-ADD:0250134,-2.47,c1(C(=O)N\N=C/c(cc2)ccc2C(OC)=O)c(C)nc3n1ccs3,0.0
65742,CO-ADD:0256544,-2.47,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
65743,CO-ADD:0256407,-2.47,C1(=Cc(ccc(c2)Br)c2OC1=O)C(=O)N3CCSC3c(cccc4[N+](=O)[O-])c4,0.0
65744,CO-ADD:0250489,-2.47,n1(c(C)nn2)c2SCC(c3ccc(cc3)Cl)=N1,0.0
65745,CO-ADD:0255573,-2.47,C(=C/c1cccc(O)c1)(/N2CCC3CC2)\C3=O.Cl,0.0
65746,CO-ADD:0253443,-2.47,N1(c(cc(cc2N3C(=O)c4c(cccc4)C3=O)C(=O)Nc(cc5)ccc5\C=C\C(c6ccccc6)=O)c2)C(=O)c7c(cccc7)C1=O,0.0
65747,CO-ADD:0255466,-2.47,S(C)(=O)(=O)N(C)CP(O)(CCC(O)=O)=O,0.0
65748,CO-ADD:0256186,-2.47,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3Br)\N2CC=C,0.0
65749,CO-ADD:0255530,-2.47,C1(C(OCCCCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
65750,CO-ADD:0255700,-2.47,C1(N(CC2)CCO2)=NC(Cc(cccc3)c13)(C)C,0.0
65751,CO-ADD:0253312,-2.47,C1(O)(CC(=NN1C(=O)Cc(cc2)ccc2[N+](=O)[O-])C)C(F)(F)F,0.0
65752,CO-ADD:0250570,-2.47,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(C)=O)n1,0.0
65753,CO-ADD:0250563,-2.47,C1(C#N)(C#N)C(c(ccs2)c2)C(C3)C(C(C#N)=C1N)=CCN3CCC,0.0
65754,CO-ADD:0253233,-2.47,c1(NC(=O)CN(CC2)CCO2)nnc(SCC(=O)N(c3ccccc3)c4ccccc4)s1,0.0
65755,CO-ADD:0253186,-2.48,N1(c2cccc(Cl)c2C)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(cc4OC)cc(c4OC)OC,0.0
65756,CO-ADD:0250129,-2.48,C(=O)(N\N=C\c1cc(Br)ccc1OC)C(=O)Nc(cccc2C(F)(F)F)c2,0.0
65757,CO-ADD:0253102,-2.48,C(COc(ccc(c12)cccc1)c2)(=O)Nc(cccc3C(C)=O)c3,0.0
65758,CO-ADD:0252348,-2.48,C(=N\OC(C)=O)(/C(/N)=N/OC(C)=O)\c1ccc(cc1Cl)Cl,0.0
65759,CO-ADD:0252211,-2.48,C(=O)(Oc(cc1)ccc1\C=N/NC(=O)c2ccc(cc2)F)c3cccc(cccc4)c34,0.0
65760,CO-ADD:0252721,-2.48,C1(C(c2ccc(c(C)c2)C)c3ccc(c(C)c3)C)=CC(=O)c(c4C1=O)cccc4,0.0
65761,CO-ADD:0252613,-2.48,N1(N=C(CC1(O)C(F)(F)F)C)C(=O)c(cccn2)c2,0.0
65762,CO-ADD:0248859,-2.48,S(=O)(=O)(Nc1ccccc1)c2csc(C(=O)Nc3ccccc3)c2,0.0
65763,CO-ADD:0248848,-2.48,N1(c2cccc(c2)C(OC)=O)C(=O)\C(\C=C1c3ccccc3)=C\c(cc4)ccc4Br,0.0
65764,CO-ADD:0256480,-2.48,s1c(C)ccc1\C=N\c(cc2)ccc2Oc3ccccc3,0.0
65765,CO-ADD:0255358,-2.48,c12c(nnc(SC(CC)C(=O)Nc(cc3)ccc3S(N)(=O)=O)n1)c4c(cccc4)n2CCC,0.0
65766,CO-ADD:0250647,-2.48,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cc(Br)ccc2OC(C)C,0.0
65767,CO-ADD:0253589,-2.48,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])Cl)c1)N2CCN=C2C,0.0
65768,CO-ADD:0255572,-2.48,n1(nnc(C(OCC)=O)c1CNc(cc2)ccc2C(OCC)=O)c3nonc3N,0.0
65769,CO-ADD:0256537,-2.48,c1(C#N)c(C)c(sc1\N=C\c(c(cccc2)c2n3C)c3)C,0.0
65770,CO-ADD:0256897,-2.48,n1(nnc(C(NN)=O)c1CSc2[nH]c(c3n2)cccc3)c4nonc4N,0.0
65771,CO-ADD:0255884,-2.48,c1(Nc2ccccc2)nc(CSc3nnc(c4ccc(cc4)OC)o3)nc(N)n1,0.0
65772,CO-ADD:0254033,-2.48,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccccc5)SC(=NN2c6cccc(Cl)c6C)C(C)=O,0.0
65773,CO-ADD:0250276,-2.48,N1(c(cccc2C(c3ccccc3)=O)c2)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5cccc(C)c5C,0.0
65774,CO-ADD:0250697,-2.48,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(ccc(c3[N+](=O)[O-])N4CCC(CC4)C)c3,0.0
65775,CO-ADD:0255645,-2.48,c1(SCC(=O)Nc(cc2)ccc2CC)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
65776,CO-ADD:0257002,-2.48,c1(SCC(=O)NC2CC2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n1,0.0
65777,CO-ADD:0257038,-2.48,N1(CN(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])C(=O)CCC1=O,0.0
65778,CO-ADD:0254506,-2.48,C1(c2ccccc2)(CC1(Cl)Cl)C(=O)Nc3c(cccc3Cl)Cl,0.0
65779,CO-ADD:0252589,-2.48,[N+](=O)([O-])c1ccc(cc1)Oc(cccc2OC(=O)c3cccc(OC)c3)c2,0.0
65780,CO-ADD:0252265,-2.48,N1(C(=O)c(cc2)ccc2C(C)(C)C)N=C(CC1(O)c3cccc(OC)c3)C(F)(F)F,0.0
65781,CO-ADD:0250727,-2.48,C(=C\c1cccc(Br)c1)(/C(=O)NN2c3ccc(cc3)C)\C2=O,0.0
65782,CO-ADD:0254067,-2.48,N(c(cc1)ccc1C(O)=O)(C(=O)C2C3C4OC2C=C4)C3=O,0.0
65783,CO-ADD:0253627,-2.48,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c4ccccc4)\C1=O,0.0
65784,CO-ADD:0257074,-2.48,C(=O)(Nc1cccc(Cl)c1)C(NCCCOC(C)C)=O,0.0
65785,CO-ADD:0250165,-2.49,N1(c2ccccc2Cl)C(=O)c3c(N=C1c4ccccc4F)cccc3,0.0
65786,CO-ADD:0249952,-2.49,C(=N)(N(CC1)CCO1)\C(\C#N)=N\Nc(cccc2C(F)(F)F)c2,0.0
65787,CO-ADD:0253204,-2.49,S(N)(=O)(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)F,0.0
65788,CO-ADD:0250135,-2.49,C(=C\c(cc1)ccc1OCc2ccccc2Cl)(/C3=O)\C(c4ccccc4)=NO3,0.0
65789,CO-ADD:0253838,-2.49,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C\c4ccccn4,0.0
65790,CO-ADD:0250543,-2.49,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3O)Br,0.0
65791,CO-ADD:0257162,-2.49,N1C(=O)\C(\SC1=N)=C\c2c[nH]nc2c3ccccc3,0.0
65792,CO-ADD:0253523,-2.49,c1(SCC(=O)N\N=C(/C)\c2ccc(cc2)C)ncccn1,0.0
65793,CO-ADD:0256089,-2.49,c1(N(CC2)CCO2)nc(N\N=C/c(ccc3c4ccc(cc4Cl)[N+](=O)[O-])o3)nc(Nc(cc5)ccc5F)n1.Cl,0.0
65794,CO-ADD:0256610,-2.49,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N2CCCCC2,0.0
65795,CO-ADD:0253465,-2.49,[N+](=O)([O-])c(ccc(c1n2)nc(c2Nc(ccc(c3Cl)Cl)c3)Nc(ccc(c4Cl)Cl)c4)c1,0.0
65796,CO-ADD:0253805,-2.49,n12c(nc(C)cc1O)cc(c3ccc(cc3)C)n2,0.0
65797,CO-ADD:0252603,-2.49,c1(NC(c2ccc(cc2)F)P(OCCCC)(OCCCC)=O)nnn(CCC)n1,0.0
65798,CO-ADD:0252338,-2.49,[n+]1(cc(cccc2[N+](=O)[O-])c2cc1CC)CC(c3ccccc3)=O,0.0
65799,CO-ADD:0247533,-2.49,n1(nnc(C(=O)N\N=C\c2cccc(Cl)c2)c1CN3CCCC3)c4nonc4N,0.0
65800,CO-ADD:0252693,-2.49,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(C)Oc3cccc(Cl)c3,0.0
65801,CO-ADD:0137172,-2.49,O1C(C)=CC(c(c(OC)c(cco2)c2c3OC)c13)=O,0.0
65802,CO-ADD:0137190,-2.49,O1COc(c1cc2)c(C(=O)O3)c2[C@@]3([C@@](c(cc(c4c5)OCO4)c5CC6)([H])N6C)[H],0.0
65803,CO-ADD:0137174,-2.49,O1COc(c1cc(CCN2C)c3C(Cc(c(C2)c(c4c5)OCO4)c5)=O)c3.Cl,0.0
65804,CO-ADD:0136507,-2.49,N(c(c(OC)ccc1)c1)=NNc(c(OC)ccc2)c2,0.0
65805,CO-ADD:0250502,-2.5,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c(ccs2)c2,0.0
65806,CO-ADD:0253877,-2.5,N1(CN(CC2)CCN2C(OCC)=O)c(cccc3)c3\C(=N/c(ccc(c45)cccc4)c5)\C1=O,0.0
65807,CO-ADD:0254024,-2.5,c1(cc(OC)cc(cccn2)c12)NC(=O)\C=C\c3ccccc3,0.0
65808,CO-ADD:0256790,-2.5,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(=O)Nc(cc2)ccc2Cl,0.0
65809,CO-ADD:0255983,-2.5,N1(c2ccc(c3c2)cccc3)C(=O)C(C(C(C45)C(=C6c7ccccc7)C(C=C4)C(C5C8=O)C(N8c9ccc(c%10c9)cccc%10)=O)C1=O)C6,0.0
65810,CO-ADD:0253251,-2.5,C1(c2ccccc2)(c3ccccc3)CC1C(=O)Nc4cccc(C(=O)c(c5C6=O)cccc5)c46,0.0
65811,CO-ADD:0250307,-2.5,C(C#N)(C(c1ccc(C(C)(C)C)s1)C2=C(N3c4ccccc4F)CCCC2=O)=C3N,0.0
65812,CO-ADD:0253422,-2.5,S(c1ccccc1)(=O)(=O)N(c2ccccc2)CC(=O)N\N=C/c3cccc(cccc4)c34,0.0
65813,CO-ADD:0247590,-2.5,c1(c2ccco2)nnc(SCC(=O)Nc(cccc3[N+](=O)[O-])c3)o1,0.0
65814,CO-ADD:0248271,-2.5,c1(c2ccccc2Cl)nnn(CC(=O)N\N=C/c(cc3)ccc3[N+](=O)[O-])n1,0.0
65815,CO-ADD:0252905,-2.5,C(C(C)C)(=O)N\N=C(/C)\CC(NCC)=O,0.0
65816,CO-ADD:0248221,-2.5,N1(CC(C)C)C(=O)c2c(cc(cc2)Oc(cc3)ccc3[N+](=O)[O-])C1=O,0.0
65817,CO-ADD:0254556,-2.5,N1(c(cc2)ccc2S(N)(=O)=O)C(c(cc3)ccc3C(C)C)CC(c(cc4)ccc4c5ccccc5)=N1,0.0
65818,CO-ADD:0253087,-2.5,c12c(c3c(cccc3)OC1c4ccccc4)cc(c5ccccc5)n2C,0.0
65819,CO-ADD:0252370,-2.5,C(=O)(Nc(cccc1C(F)(F)F)c1)N(c2ccccc2)c3ccccc3,0.0
65820,CO-ADD:0252233,-2.5,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc3ccccc3CC,0.0
65821,CO-ADD:0250456,-2.5,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4OC)cc(c4OCc5cccc(cccc6)c56)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
65822,CO-ADD:0250488,-2.5,N(CCS1)(C2=O)C1=NC(c3ccc(cc3)Cl)=C2C#N,0.0
65823,CO-ADD:0253518,-2.5,C(=O)(Oc(cc1)ccc1\C=N\NC(CSc2ncccn2)=O)C3=CCCC=C3,0.0
65824,CO-ADD:0250313,-2.5,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C(/C3)\CCC3)c4nonc4N,0.0
65825,CO-ADD:0253193,-2.5,N(/NC(=O)c1cccc(Cl)c1)=C(/c2ccc(cc2)F)\c(cc3)ccc3N4CCCCC4,0.0
65826,CO-ADD:0253391,-2.5,c1(NC(CCCC)=O)sc2c(CCCC2O)c1C(OCC)=O,0.0
65827,CO-ADD:0257045,-2.5,o1c(SCC(=O)c2ccc(cc2)CC)nnc1c3cccc(Br)c3,0.0
65828,CO-ADD:0257031,-2.5,c1(c2)c(N(CCC1(c3ccccc3)c4ccccc4)CCC5(c6ccccc6)c7ccccc7)c5cc2C(=O)OCC(=O)c(cc8)ccc8[N+](=O)[O-],0.0
65829,CO-ADD:0249893,-2.5,s1c(nnc1c2ccco2)NC(=O)c(cc3)ccc3C(C)(C)C,0.0
65830,CO-ADD:0257054,-2.5,n1(c2ccccc2)c(S)nnc1Cc3cccc(cccc4)c34,0.0
65831,CO-ADD:0252871,-2.5,C(=O)(c1ccc(cc1)F)OCc2ccc(cc2F)F,0.0
65832,CO-ADD:0253036,-2.5,N1(C(=O)c2cccc(Br)c2)C(O)(c3ccc(cc3)CC)CC(C(F)(F)F)=N1,0.0
65833,CO-ADD:0252408,-2.5,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(cc(I)cc4I)c4OCC#C)nc(Nc(cc5)ccc5C)n1.Cl,0.0
65834,CO-ADD:0254411,-2.5,N1(c2c(cccc2)C=Cc(cccc3)c13)C(=O)O\N=C(/CC4(C)C)\CC(N4)(C)C,0.0
65835,CO-ADD:0248174,-2.5,N(c1ccccc1Cl)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
65836,CO-ADD:0252204,-2.5,C(=O)(N\N=C/c(cc1)ccc1F)c2ccc(cc2)F,0.0
65837,CO-ADD:0252188,-2.5,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3OC)cc(c3OCC)I,0.0
65838,CO-ADD:0247876,-2.51,c1(cc(ccc1NC(=O)c2cc(OC)cc(OC)c2)Cc(ccc(c3C(O)=O)NC(=O)c4cc(OC)cc(OC)c4)c3)C(O)=O,0.0
65839,CO-ADD:0247855,-2.51,[N+](=O)([O-])c(cccc1C(=O)Nc(c2)c(ccc2C(F)(F)F)Oc3cccc(F)c3)c1,0.0
65840,CO-ADD:0254081,-2.51,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C(/C)\c3ccccc3O,0.0
65841,CO-ADD:0250617,-2.51,N1(C)C(=O)\C(\SC1=S)=C/c(ccs2)c2,0.0
65842,CO-ADD:0254054,-2.51,c1(cccs1)C(=O)\C=C\c(ccc(c2OC)OC)c2,0.0
65843,CO-ADD:0255391,-2.51,c1(c2ccccc2Cl)nnc(NC(=O)c3cccs3)s1,0.0
65844,CO-ADD:0255912,-2.51,C1(C(OCCC)=O)=C(C)NC(NC1c2ccccc2OC)=O,0.0
65845,CO-ADD:0253374,-2.51,c1(Cl)c(C)ccc(c1)NC(COc(cc2)ccc2C3CCCCC3)=O,0.0
65846,CO-ADD:0256510,-2.51,C(=C/c(ccc(c1[N+](=O)[O-])N(C)C)c1)(/C(=O)NN2c3ccc(cc3)Cl)\C2=O,0.0
65847,CO-ADD:0255365,-2.51,c12c(C(=O)CCN1C(=O)\C=C\c3ccccc3)cc4c(cccc4)c2,0.0
65848,CO-ADD:0255677,-2.51,C(=O)(N\N=C/c1ccccc1OCc2ccccc2)C(c3ccccc3)c4ccccc4,0.0
65849,CO-ADD:0248163,-2.51,c1(NC(=O)C(CC)Sc2nncn2C)sc(c3c1C(OCC)=O)CCCC3,0.0
65850,CO-ADD:0252966,-2.51,n1c2c(cccc2)ncc1c3ccc(cc3C)C.Cl,0.0
65851,CO-ADD:0255231,-2.51,N1(c2ccccc2F)C(=O)C(CC1=O)NCCc(cc3)ccc3S(N)(=O)=O,0.0
65852,CO-ADD:0253122,-2.51,C(F)(F)(F)c(cccc1NC(=O)C(=O)NCc2ccccc2)c1,0.0
65853,CO-ADD:0252699,-2.51,[N+](=O)([O-])c1cccc(c1)N\N=C(\c2ccccc2)/N=Nc3ccccc3,0.0
65854,CO-ADD:0248075,-2.51,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4Br,0.0
65855,CO-ADD:0254929,-2.51,n(nnc1C(=O)N\N=C\C(CCC=C2)C2)(c1COC)c3nonc3N,0.0
65856,CO-ADD:0255279,-2.51,C(C(=O)c1ccc(cc1)Br)(C2c3ccc(cc3)Br)=C(O)C(N2c4ccc(cc4)Br)=O,0.0
65857,CO-ADD:0250122,-2.51,c1(C(OCC)=O)c(CSc2ccccc2)oc(ccc(O)c3CN(C)C)c13.Cl,0.0
65858,CO-ADD:0250363,-2.51,C(=N/c1ccc(cc1C)C)(/S\C(\C2=O)=C\c(ccc3c(cccc4C(O)=O)c4)o3)\N2,0.0
65859,CO-ADD:0250417,-2.52,c1(non2)c2nc(Nc(cc3)ccc3I)c(N\N=C\c(cc4)ccc4C)n1,0.0
65860,CO-ADD:0250441,-2.52,n1c(c2ccc(cc2)OCc3c(cccc3F)Cl)[nH]c(c4ccccc4)c1c5ccccc5,0.0
65861,CO-ADD:0254056,-2.52,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)S\C(\NCC)=N\c3ccccc3,0.0
65862,CO-ADD:0254080,-2.52,n(c(cc1)c([nH]2)cc1C(=O)N\N=C\c(ccc(c3OC)OC)c3)c2C,0.0
65863,CO-ADD:0255507,-2.52,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCc(cc3)ccc3S(N)(=O)=O,0.0
65864,CO-ADD:0253923,-2.52,N1(CC(CC1C(=O)NC2CCCCC2)O)C(=O)OCc3ccccc3,0.0
65865,CO-ADD:0250598,-2.52,C(F)(F)(F)c(ccc(c1\N=C\c(cc(Br)cc2Br)c2O)N3CCCC3)c1,0.0
65866,CO-ADD:0255714,-2.52,c12c(n(cn1)C)C(N(C)C(Cl)=N2)=O,0.0
65867,CO-ADD:0255882,-2.52,N1(CN2CCCC2)N=C(N(C)C1=S)COc(cc3)ccc3C4CCCCC4,0.0
65868,CO-ADD:0255626,-2.52,N1(c2ccc(c(Cl)c2)Cl)C(c3ccc(cc3)Cl)CC(c4ccccc4OC)=N1,0.0
65869,CO-ADD:0253796,-2.52,N1c(ccc(c2)C(=O)OCC(=O)c(cc3)ccc3c4ccccc4)c2C5C(CC=C5)C1c6ccc(cc6)Br,0.0
65870,CO-ADD:0256905,-2.52,C1(C(=O)Nc(ccc(c2Cl)Cl)c2)C3C1CC\C=C/CC3,0.0
65871,CO-ADD:0255208,-2.52,N1(c2ccccc2F)C(=O)C(CC1=O)NCc(cc3)ccc3S(N)(=O)=O,0.0
65872,CO-ADD:0247417,-2.52,n1(c(C)c(nn1)C(=O)OCc2ccccc2)c3nonc3N,0.0
65873,CO-ADD:0247831,-2.52,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2)c1)NCc3ccco3,0.0
65874,CO-ADD:0252959,-2.52,C(CSc1ccccn1)(=O)N\N=C\c(cc2)ccc2C,0.0
65875,CO-ADD:0252584,-2.52,c1(OC(=O)C2CC23CCC3)c(C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C,0.0
65876,CO-ADD:0247961,-2.52,C1(=S)N(c2ccccc2)N=C(C)N1c3ccccc3,0.0
65877,CO-ADD:0253817,-2.52,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(c(OC)c3)OC)c4c(C)nn(c5ccccc5)c4O,0.0
65878,CO-ADD:0250379,-2.52,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c3cccc(OC)c3OCc4ccc(cc4Cl)Cl,0.0
65879,CO-ADD:0253750,-2.52,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(=O)NC1c3ccc(cc3)OC,0.0
65880,CO-ADD:0253614,-2.52,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(CSCc(cc(C)cc2C)c2)=O,0.0
65881,CO-ADD:0255301,-2.52,C(/CC1)(=C/c(cc2OC)cc(c2OC)OC)\C(=O)\C(\C1)=C\c(cc3OC)cc(c3OC)OC,0.0
65882,CO-ADD:0255464,-2.52,S(=O)(=O)(N(CC)CC)CCP(O)(=O)CN(CC1)CCO1,0.0
65883,CO-ADD:0250336,-2.52,C(F)(F)(F)c(ccc(n1)N\N=C\c2c(cccc2F)Cl)c1,0.0
65884,CO-ADD:0256655,-2.52,C1(C(OCCC#N)=O)=C(C)NC(NC1c2ccccc2OC)=O,0.0
65885,CO-ADD:0253965,-2.52,N(C(CCC)Oc(c12)ccc(c1)[N+](=O)[O-])(c(cccc3)c34)C2OC4(c5ccccc5)c6ccccc6,0.0
65886,CO-ADD:0250457,-2.52,n1(c2c(n3)cccc2)c3S\C(=C\c4cccc(c4)OCc5cccc(cccc6)c56)\C1=O,0.0
65887,CO-ADD:0250026,-2.52,C(C#N)(C1c(cc2)ccc2N(CC)CC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
65888,CO-ADD:0255832,-2.53,S(=O)(=O)(c1c(C)ccc(c1)[N+](=O)[O-])n2c3c(nc2)cccc3,0.0
65889,CO-ADD:0247388,-2.53,O1C(=O)C=Cc(ccc(OC(CCCCCC(=O)Oc(ccc(c23)C=CC(=O)O2)c3)=O)c4)c14,0.0
65890,CO-ADD:0252690,-2.53,C(/N1C(Cc2ccccc2)CSC1=O)(=C(/C(F)(F)F)\C(F)(F)F)\C(F)(F)C(F)(F)F,0.0
65891,CO-ADD:0247954,-2.53,C(F)(F)(F)c(ccc(c1\N=C\c2cccc(Cl)c2O)Oc3cccc(F)c3)c1,0.0
65892,CO-ADD:0248135,-2.53,n1(C)cnnc1SCC(=O)Nc2cccc(NC(CSc3nncn3C)=O)n2,0.0
65893,CO-ADD:0248120,-2.53,[N+](=O)([O-])N(CC)CN(CC)[N+](=O)[O-],0.0
65894,CO-ADD:0248083,-2.53,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCN3c4ccccc4OC)C1=O,0.0
65895,CO-ADD:0250403,-2.53,n1(c2c(n3)cccc2)c3S\C(=C\c(cccc4OC(C)=O)c4)\C1=O,0.0
65896,CO-ADD:0250412,-2.53,C(=C/c(ccc1c(cc2)c(C)c(c2[N+](=O)[O-])C)o1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
65897,CO-ADD:0249996,-2.53,c1(NC(C)=O)nc(CCC)c(c(c2ccco2)c1C#N)CC,0.0
65898,CO-ADD:0253189,-2.53,c1(\C=N\NC(c(cc2)ccn2)=O)cc(Br)ccc1F,0.0
65899,CO-ADD:0256044,-2.53,n1(N)c(C)nnc1N\N=C\c(ccc(c2OCC)O)c2.Cl.Cl,0.0
65900,CO-ADD:0256879,-2.53,N1C(=O)\C(\SC1=N)=C\c(cc(OC)c(c2)OC)c2Br,0.0
65901,CO-ADD:0255710,-2.53,N1C2(CCCC2)OCC1(CO)CO,0.0
65902,CO-ADD:0256937,-2.53,C(=O)(N\N=C\c(ccc(c1Cl)Cl)c1)C(=O)Nc2c(C)ccc(Cl)c2,0.0
65903,CO-ADD:0256306,-2.53,c1(nc(c2n1CC(NNCc3cccc(OC)c3OCc4ccc(cc4Cl)Cl)=O)cccc2)c5nonc5N,0.0
65904,CO-ADD:0256404,-2.53,S1(=O)(=O)c(cccc2)c2C(N(C)c3ccc(cc3)OC(=O)c4cccc(C)c4)=N1,0.0
65905,CO-ADD:0256966,-2.53,c1(sc(c(ccc2S(C)(=O)=O)n1)c2)NC(=O)c3cccc(Cl)c3,0.0
65906,CO-ADD:0256281,-2.53,C(C(OC)=O)(=C1C)\C(=C\c2cccc(Cl)c2)\C(N1CC(C)C)=O,0.0
65907,CO-ADD:0256297,-2.53,c(C#N)(c(\C(\C#N)=C\c(cc1Br)cc(c1OCc(cc2)ccc2C)Br)nn3c4ccccc4)c3N,0.0
65908,CO-ADD:0256401,-2.53,S(=O)(=O)(N1CCCC1)c2c(Br)ccc(c2)C(=O)Oc3ccc(cc3n4nc(c5n4)cccc5)C,0.0
65909,CO-ADD:0257051,-2.53,c1(c(C)cccc1C)NC(CSCc2cccc(CSCC(=O)Nc3c(C)cccc3C)n2)=O,0.0
65910,CO-ADD:0256877,-2.53,C1(CC(C)(C)NC2=S)(CC(c3ccccc3)Oc4c1ccc(c4)OC(C)=O)N2,0.0
65911,CO-ADD:0257046,-2.53,c1(ccccc1I)C(=O)NCC2CCCC(C2)CNC(=O)c3ccccc3I,0.0
65912,CO-ADD:0250464,-2.53,N1(C2c3ccccc3)C(S\C(=C\c(cc4OC)cc(c4OCc5cccc(cccc6)c56)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
65913,CO-ADD:0256311,-2.53,C1(C(=O)OC2CCCCCCC2)=C(C)NC(NC1c3ccc(cc3Cl)Cl)=O,0.0
65914,CO-ADD:0256214,-2.53,C1(C(=O)Nc2ccccc2CC)C(C1(Cl)Cl)c3ccccc3,0.0
65915,CO-ADD:0252616,-2.53,[N+](=O)([O-])C(C)(CO1)COC1c(cccc2[N+](=O)[O-])c2,0.0
65916,CO-ADD:0248210,-2.54,c1(SC(C)C(=O)N\N=C\c2ccccc2C(F)(F)F)nc(C)cc(C)n1,0.0
65917,CO-ADD:0255215,-2.54,N1(c(cc2)ccc2C(OC)=O)C(=O)CC(N3CCCCC3)C1=O,0.0
65918,CO-ADD:0253051,-2.54,c1(cnn(C)c1C(=O)Nc(cc2)ccc2NC(C)=O)[N+](=O)[O-],0.0
65919,CO-ADD:0248187,-2.54,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3cc(Br)ccc3OCc4ccc(cc4Cl)Cl,0.0
65920,CO-ADD:0247827,-2.54,N1(C(=O)C=CC1=O)c(ccc(c2C(=O)Nc3cccc(C)c3)Cl)c2,0.0
65921,CO-ADD:0250651,-2.54,C(C(OCC)=O)(C1c2scc(Br)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
65922,CO-ADD:0255590,-2.54,C(=CNC(N1)=O)(NC(=O)c2ccc(cc2)Br)C1=O,0.0
65923,CO-ADD:0250566,-2.54,c1(C#N)c(cc(nc1SCC(=O)N(CC)CC)C)c2cccs2,0.0
65924,CO-ADD:0255281,-2.54,C(C(=O)c1ccc(cc1)Cl)(C2c(cc3)ccc3N(C)C)=C(O)C(N2CCO)=O,0.0
65925,CO-ADD:0256599,-2.54,s1c(C(C)C)nnc1NC(CSc2sc(c3n2)cccc3)=O,0.0
65926,CO-ADD:0254002,-2.54,S(C)(=O)(=O)N(c1ccc(cc1)C)CC(=O)N\N=C\c2cccc(Br)c2,0.0
65927,CO-ADD:0253409,-2.54,c1(NC(CNCCCC)=O)sc(c(C)c1C(OCC)=O)C,0.0
65928,CO-ADD:0253619,-2.54,N(C(C)=O)(C(C)=O)c1ccccc1c2ccccc2,0.0
65929,CO-ADD:0250690,-2.54,c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])c1Sc2sc(c3n2)cccc3,0.0
65930,CO-ADD:0253608,-2.54,C(\C=C(/C)\C)(C(C(C)C)CC(=O)c1ccc(cc1)OC)C(=O)c2ccc(cc2)OC,0.0
65931,CO-ADD:0256428,-2.54,S(=O)(=O)(N(CCC)CCC)c(cc1)ccc1C(NCCOc2ccccc2Cl)=O,0.0
65932,CO-ADD:0255528,-2.54,C1(c2ccccc2)(c3ccccc3)CC1C(=O)Nc4c(cccc4Cl)Cl,0.0
65933,CO-ADD:0256120,-2.54,c12c(non1)nc(Nc(cc3)ccc3I)c(N\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n2,0.0
65934,CO-ADD:0253747,-2.54,c12c(c3c(NC4(CCCCC4)O1)cccc3)nnc(SCC)n2,0.0
65935,CO-ADD:0253771,-2.54,N(CN(CC1)CCO1)(c(cccc2)c2C3(O)CC(c4ccccc4)=O)C3=O,0.0
65936,CO-ADD:0249904,-2.54,N1(c2ccc(cc2)Cl)C(=O)CC(N(CCc(cc3)ccc3OC)C(C)=O)C1=O,0.0
65937,CO-ADD:0252386,-2.54,c1(CN(CC2)CCN2C)c3c(oc1C(OCC)=O)ccc(OC)c3.Cl.Cl,0.0
65938,CO-ADD:0247824,-2.54,C1(\C(=N\c(cc2)ccc2CC)\SS3)=C3C(Nc(ccc(C)c4)c14)(C)C,0.0
65939,CO-ADD:0248172,-2.54,N1(c(cc2)ccc2C(C)=O)C(=O)C3C(C4C5(CC5)C3C=C4)C1=O,0.0
65940,CO-ADD:0247949,-2.55,c(cc(C(=O)[O-])cc1[N+](=O)[O-])([N+](=O)[O-])c1NC.O,0.0
65941,CO-ADD:0255193,-2.55,C1(C)(C(OCC)=O)C=C(C(=O)N1c2ccc(cc2)Br)Nc(cc3)ccc3Br,0.0
65942,CO-ADD:0254467,-2.55,c(\C=N/Nc(cc1)ccc1C)(c2c([nH]3)cccc2)c3,0.0
65943,CO-ADD:0254282,-2.55,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C(\C2)/CCCCCCCCCC2)c3ccccc3[N+](=O)[O-],0.0
65944,CO-ADD:0253276,-2.55,c1(\N=C(/C)\c2ccc(Cl)s2)sc(c3c1C#N)CCCC3,0.0
65945,CO-ADD:0253453,-2.55,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)Nc3ccccc3O,0.0
65946,CO-ADD:0255556,-2.55,c1(c2ccc(OCC(NCCCCCCCC)=O)c1)OC(C=C2C)=O,0.0
65947,CO-ADD:0255631,-2.55,S(c1ccccc1)(=O)(=O)N(CC(=O)NC(C)c2ccc(cc2)OC)c3ccc(cc3OC)OC,0.0
65948,CO-ADD:0256910,-2.55,N(c(cc1)ccc1C(OCC)=O)(Cc(c2cc(c3C4)CN4c(cc5)ccc5C(OCC)=O)c3)C2,0.0
65949,CO-ADD:0256543,-2.55,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n1,0.0
65950,CO-ADD:0256303,-2.55,C1(c2ccccc2Cl)=N\C(\C(=O)O1)=C/c(cc3)ccc3OCc4ccccc4Cl,0.0
65951,CO-ADD:0256766,-2.55,n1c(c2ccccc2)nnn1CC(=O)N([H])\N=C\c3ccco3,0.0
65952,CO-ADD:0256751,-2.55,C1(=O)N(Cc(cc2)ccc2C)c(c(c3)N1Cc(cc4)ccc4C)cc(c3[N+](=O)[O-])[N+](=O)[O-],0.0
65953,CO-ADD:0255963,-2.55,C1(=C(O)CC(C)(C)CC1=O)C(c2cccc(O)c2)C3C(=O)CC(CC3=O)(C)C,0.0
65954,CO-ADD:0256707,-2.55,C(F)(F)(F)c(ccc(c1\N=C\c(cc(Cl)cc2Cl)c2O)Oc3cccc(F)c3)c1,0.0
65955,CO-ADD:0256871,-2.55,C1(C(=O)OCC(C)C)=C(C)NC(NC1c2cccc(OCC)c2)=O,0.0
65956,CO-ADD:0253432,-2.55,N1(C(=O)c2c(N=C1c3ccccc3)ccc(Cc(ccc(c4C5=O)N=C(N5N6C(=O)c7c(cccc7)C6=O)c8ccccc8)c4)c2)N9C(=O)c(c%10C9=O)cccc%10,0.0
65957,CO-ADD:0250393,-2.55,n1c(N(CC2)CCO2)c(Nc3c(OC)ccc(OC)c3)nc(non4)c14,0.0
65958,CO-ADD:0252878,-2.55,S(=O)(=O)(Nc1c(C)cc(nc1Cl)C)c2cccnc2C(OC)=O,0.0
65959,CO-ADD:0248118,-2.55,C(C#N)([C@@H](c1ccc(cc1)Br)[C@@H]2C(N)=O)=C(N)NC2=S,0.0
65960,CO-ADD:0249178,-2.55,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\c3cccs3,0.0
65961,CO-ADD:0249132,-2.55,N(c1ccc(c(Cl)c1)Cl)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
65962,CO-ADD:0250430,-2.55,n12c(S\C(=C\c(cc(I)cc3I)c3OC)\C1=O)nc(cc(C)c(C)c4)c24,0.0
65963,CO-ADD:0253456,-2.55,n1(nnc(C(OC)=O)c1CN2CCCCCC2)c3nonc3N,0.0
65964,CO-ADD:0253170,-2.55,S(=O)(=O)(N(CC)CC)c(c(C)ccc1C(=O)N(CC2)CCN2C(=O)c(ccc(c3S(=O)(=O)N(CC)CC)C)c3)c1,0.0
65965,CO-ADD:0253582,-2.55,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)NC5CCCCCC5,0.0
65966,CO-ADD:0256197,-2.55,s1c(c(cccn2)c2)nnc1NC(=O)c3ccccc3F,0.0
65967,CO-ADD:0256093,-2.55,c(Nc1ccccc1)(nc(N\N=C\c(ccc2c(ccc(c3C(O)=O)O)c3)o2)nc4Nc5ccccc5)n4.Cl,0.0
65968,CO-ADD:0257175,-2.56,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCN3c4ccccc4)OCC(F)(F)F,0.0
65969,CO-ADD:0253698,-2.56,s1c(N)nnc1SCC(=O)Nc(cc2)cc(c2NC(CSc3nnc(N)s3)=O)Cl,0.0
65970,CO-ADD:0249995,-2.56,C(C1)(C2)(CN(CN2C3)CN13)\C(=N/N=C/c4ccc(C)o4)\c(cccc5[N+](=O)[O-])c5,0.0
65971,CO-ADD:0250525,-2.56,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(C(C)(C)C)s3)c4sc(c5c4C#N)CCCCC5,0.0
65972,CO-ADD:0256015,-2.56,c1(ccccc1NC(=O)c2cccc(c2)NC(CC)=O)C(O)=O,0.0
65973,CO-ADD:0256369,-2.56,c1(c2ccccc2C#N)nnn(CC(=O)N\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)n1,0.0
65974,CO-ADD:0256498,-2.56,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(c(OCC)c4)OC)c3C#N)C#N,0.0
65975,CO-ADD:0250686,-2.56,c1(NC(=O)c2cccc(C)c2)sc(c3c1C(OCC)=O)CCCC3,0.0
65976,CO-ADD:0255482,-2.56,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Br)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
65977,CO-ADD:0252931,-2.56,C(c1ccccc1)(c2ccccc2)(c3ccccc3)N(CCOCC=C)CCOCC=C,0.0
65978,CO-ADD:0248183,-2.56,c1(SCC(NCCc(ccc(c2OC)OC)c2)=O)sc3c(ccc(c3)\N=C\c(cc4)ccc4Cl)n1,0.0
65979,CO-ADD:0247426,-2.56,c1(ccc(cc1F)F)C(=O)O\N=C(/C)\c2ccc(cc2F)F,0.0
65980,CO-ADD:0249693,-2.56,C(=N/NC(=O)CN(c1ccc(cc1)Oc2ccccc2)S(C)(=O)=O)(/c3c(N4)cccc3)\C4=O,0.0
65981,CO-ADD:0254330,-2.56,c(C(=O)N\N=C\c1cc(Br)ccc1O)(c(C)on2)c2c3ccccc3,0.0
65982,CO-ADD:0253338,-2.56,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)\N=C\c(cc4)ccc4I)n1,0.0
65983,CO-ADD:0256266,-2.56,c1(NC(=O)C(CC)N2CCCC2)sc(c3c1C#N)CCCC3,0.0
65984,CO-ADD:0256267,-2.56,s1c(C(C)C)nnc1NC(=O)c2cc(c3o2)cccc3,0.0
65985,CO-ADD:0255794,-2.56,C1(C(OCCCCCCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)O,0.0
65986,CO-ADD:0250496,-2.56,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c(c(cccc2)c2n3C)c3,0.0
65987,CO-ADD:0253886,-2.56,S1(=O)(=O)c(cccc2)c2C(Nc(ccc(c3CN(CC)CC)O)c3)=N1,0.0
65988,CO-ADD:0256922,-2.56,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2[N+](=O)[O-])CC(=O)N\N=C\c(cc3)ccc3\C=N\NC(=O)CN(c(cc4)ccc4[N+](=O)[O-])S(c5ccccc5)(=O)=O,0.0
65989,CO-ADD:0256285,-2.56,C(C(C)(O)C(C)(C)C)#CCN1CCCC1,0.0
65990,CO-ADD:0252207,-2.56,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C/c2ccccc2OCC(O)=O,0.0
65991,CO-ADD:0252696,-2.56,c(cc(cc1C(=O)NC(C)(C)C)[N+](=O)[O-])(c1N)[N+](=O)[O-],0.0
65992,CO-ADD:0252443,-2.56,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C\c4ccccc4[N+](=O)[O-],0.0
65993,CO-ADD:0252194,-2.56,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(cc4OCc(cc5)ccc5Cl)N(CC)CC,0.0
65994,CO-ADD:0248885,-2.56,C1(NC(CSc2sc3c(ccc(c3)\N=C\c(cc4)ccc4Cl)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
65995,CO-ADD:0252343,-2.56,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c6ccccc6)c7ccccc7,0.0
65996,CO-ADD:0255033,-2.57,c1(SCC(=O)NC(C)(C)C)nc(C)cc(C)n1,0.0
65997,CO-ADD:0254323,-2.57,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
65998,CO-ADD:0255920,-2.57,C1(C(OCCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OC,0.0
65999,CO-ADD:0250422,-2.57,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)ccc4OCC(OCC)=O)\C1=O,0.0
66000,CO-ADD:0253801,-2.57,N1c(ccc(c2)C(=O)OCC(=O)c(cc3)ccc3[N+](=O)[O-])c2C4C(CC=C4)C1c(cc5)ccc5[N+](=O)[O-],0.0
66001,CO-ADD:0256772,-2.57,N1C(=O)\C(\SC1=N)=C\c(cc2OC)cc(c2OCc3ccc(cc3Cl)Cl)I,0.0
66002,CO-ADD:0256207,-2.57,C(=O)(c1ccc(cc1)OCCCCCCCCCC)OC(CC2)CCC2C(C)(C)C,0.0
66003,CO-ADD:0255667,-2.57,N1c(ccc(c2)C)c2C3C(CC=C3)C1c4ccc(cc4)\N=C\c(cc5)ccc5N(C)C,0.0
66004,CO-ADD:0257120,-2.57,c(C(O)=O)(c1c2cccc1)cc(n2)c(ccc(c3Cl)Cl)c3,0.0
66005,CO-ADD:0256352,-2.57,c1(NC(CSc2nnc(N)s2)=O)nnc(SCC(=O)Nc(cc3)ccc3C)s1,0.0
66006,CO-ADD:0257044,-2.57,C(=O)(Nc(cc1)cc(c1N(CC)CC)C)c2ccccc2OC,0.0
66008,CO-ADD:0256579,-2.57,O1C(=O)C=Cc(ccc(OC\C=C(/C)\CC\C=C(/C)\CCC(=O)C(C)(C)O)c2)c12,0.0
66009,CO-ADD:0254091,-2.57,N(\C(=C/c1ccccc1OC(=O)c2ccc(cc2)Cl)\C(O3)=O)=C3c4ccc(cc4)C,0.0
66010,CO-ADD:0249892,-2.57,c1(nncs1)NC(=O)c(cc2)ccc2C(C)(C)C,0.0
66011,CO-ADD:0255447,-2.57,n1c2c(oc1c3ccc(cc3)NC(CSc4oc(c5n4)cccc5)=O)ccc(c2)NC(CSc6oc(c7n6)cccc7)=O,0.0
66012,CO-ADD:0255591,-2.57,c1(C(N(C)C)c2ccc(cc2Cl)Cl)nnnn1c3cccc(Cl)c3,0.0
66013,CO-ADD:0249596,-2.57,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
66014,CO-ADD:0255105,-2.57,C1(SC(S2)=S)=C2SC(C(=O)C(C)(C)S1)C,0.0
66015,CO-ADD:0254324,-2.57,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
66016,CO-ADD:0250513,-2.57,N1(c2ccc(cc2)CC)C(CSc3nnc(COc(cc4)ccc4C5CCCCC5)n3c6ccccc6)=Nc(c7C1=O)cccc7,0.0
66017,CO-ADD:0250538,-2.57,N1(c2cccc(Cl)c2)C(=O)\C(\SC1=S)=C/c(cccc3C(F)(F)F)c3,0.0
66018,CO-ADD:0253882,-2.57,N1(CN(CC2)CCN2C(OCC)=O)N=C(N(C)C1=S)COc3ccccc3,0.0
66019,CO-ADD:0256055,-2.57,c1(c(O)c(\C=N\Nc(nc(NCc2ccco2)nc3Nc(cc4)ccc4OC)n3)cc(c1)[N+](=O)[O-])[N+](=O)[O-].Cl,0.0
66020,CO-ADD:0253604,-2.57,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(=O)Nc(ccc(c3C)C)c3,0.0
66021,CO-ADD:0256986,-2.57,C(c1cccc(c1)OC(C)=O)(OC2=O)=Nc(c23)ccc(c(ccc4c5C(=O)OC(c6cccc(c6)OC(C)=O)=N4)c5)c3,0.0
66022,CO-ADD:0253176,-2.57,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCCc(cc3)ccc3OC,0.0
66023,CO-ADD:0250516,-2.57,N1(CN2CCCCC2)N=C(N(C)C1=S)COc(ccc(c3C)C)c3,0.0
66024,CO-ADD:0277570,-2.58,C(C#N)(C(c1ccc(cc1)CC)CC(N2)=O)=C2SCc3ccccc3,0.0
66025,CO-ADD:0278067,-2.58,C(/SC(N1Cc2ccccc2)=S)(\C1=O)=C(/Sc(c34)ccc(Cl)c3)\N4CC,0.0
66026,CO-ADD:0277979,-2.58,c1(NC(CSc2nc(c3ccccc3)cc(c4ccccc4)n2)=O)sc(c5c1C#N)CCCC5,0.0
66027,CO-ADD:0257816,-2.58,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(c(cccc2)c2n3Cc4ccccc4Cl)c3,0.0
66028,CO-ADD:0284236,-2.58,n1(c(C)ccc1C)c2cccc(c2)C(=O)N\N=C\c(cc3)ccc3C,0.0
66029,CO-ADD:0284508,-2.58,c(C(=O)c(cc1)ccc1C(=O)c(sc(c23)nc(c(CC)c2C)C)c3N)(sc(c45)nc(c(CC)c4C)C)c5N,0.0
66030,CO-ADD:0283268,-2.58,C1(C(=O)Nc(cc2)ccc2OC)=Cc(cccc3CC=C)c3OC1=O,0.0
66031,CO-ADD:0283718,-2.58,c(C=O)(cc(OCO1)c1c2)c2Br,0.0
66032,CO-ADD:0283742,-2.58,N1(c2cccc(c2)C(=O)Nc3ccc(cc3C(O)=O)Cl)C(=O)c4c(c(ccc5[N+](=O)[O-])C1=O)c5ccc4,0.0
66033,CO-ADD:0283776,-2.58,C(/c(ccc(c12)OCO1)c2)(\N(CC3)CCO3)=N\OC(C)=O,0.0
66034,CO-ADD:0278748,-2.58,C(=C\c1cccn1c2cccc(c2)[N+](=O)[O-])(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
66035,CO-ADD:0283696,-2.58,C(/C(OCC)=O)(\C(OCC)=O)=C/c1ccco1,0.0
66036,CO-ADD:0278231,-2.58,N1(c(ccc(c2s3)nc3SCC(=O)c(cc4)ccc4c5ccccc5)c2)C(=O)c(c6C1=O)cccc6,0.0
66037,CO-ADD:0277656,-2.58,N1(CSc(nnc(c23)c4c(cccc4)n2CCc5ccccc5)n3)C(=O)c6c(cccc6)C1=O,0.0
66038,CO-ADD:0258814,-2.58,n1(CC(O)=O)c(C)cc(C)n1,0.0
66039,CO-ADD:0259230,-2.58,C1(C#N)=C(N)OC(=C2C1c3ccc(c(OC)c3)OC)CCCC2=O,0.0
66040,CO-ADD:0258898,-2.58,n1(c2ccccc2)c(SCc3ccccc3F)nnc1c4ccco4,0.0
66041,CO-ADD:0258914,-2.58,n1(c2ccccc2)c(COc(cc3)ccc3C(C)(C)C)nnc1SCc4c(C)ccc(cccc5)c45,0.0
66042,CO-ADD:0258771,-2.58,C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)([N+](=O)[O-])c(n1)nc(nc1C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])N(C)C,0.0
66043,CO-ADD:0259122,-2.58,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C(/C)\c(cc3)ccc3c4ccccc4)c5nonc5N,0.0
66044,CO-ADD:0258586,-2.58,c1(c2ccccc2Br)nnc(NC(=O)c(cc3)ccc3C(C)(C)C)s1,0.0
66045,CO-ADD:0258506,-2.58,n1(c2ccccc2)nnnc1SCC(=O)N\N=C\c(ccc(c3OC)OCC(OCC)=O)c3,0.0
66046,CO-ADD:0258315,-2.58,C1(c2ccc(cc2)NC(=O)c3ccc(cc3)F)(c4ccc(cc4)NC(=O)c5ccc(cc5)F)c6c(cccc6)C(c(cccc7)c17)=O,0.0
66047,CO-ADD:0217629,-2.58,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c2cccc(CC=C)c2O,0.0
66048,CO-ADD:0283409,-2.58,N1\C(=N\N=C(/c2ccccc2)\Cc3ccccc3)\SC(c4ccccc4)C1=O,0.0
66049,CO-ADD:0278705,-2.59,c1(C(N)=O)oc(c2c1NC(CSc3ccccn3)=O)cccc2,0.0
66050,CO-ADD:0217421,-2.59,C(=O)(NCc(ccc(c12)OCO1)c2)c(cccn3)c3,0.0
66051,CO-ADD:0278947,-2.59,N1(c2c(OCC)ccc(C(C)=O)c2)C(=O)C(C3C1=O)C4C=CC3CC4,0.0
66052,CO-ADD:0217453,-2.59,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(=O)c(cccn2)c2)c3ccco3,0.0
66053,CO-ADD:0215215,-2.59,c1(N(CC2)CCN2CCNc(nc(N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])nc5Nc(cccc6C(F)(F)F)c6)n5)nc(N\N=C\c7cc(OCO8)c8cc7[N+](=O)[O-])nc(Nc(cccc9C(F)(F)F)c9)n1,0.0
66054,CO-ADD:0215264,-2.59,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(=O)Nc2cccc(Cl)c2Cl,0.0
66055,CO-ADD:0247728,-2.59,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])C(CCC#N)S(=O)(=O)c(cc2)ccc2[N+](=O)[O-],0.0
66056,CO-ADD:0254541,-2.59,C(=C\c(ccc(c1OC)OC)c1)(/C=C(O2)c3ccc(c(OC)c3)OC)\C2=O,0.0
66057,CO-ADD:0247725,-2.59,S(=O)(=O)(c1ccc(cc1)C)OC(C=CS2(=O)=O)C2,0.0
66058,CO-ADD:0254706,-2.59,N1(C(=O)c2cccc(Br)c2)N=C(CC1(O)c(cccn3)c3)C(F)(F)F,0.0
66059,CO-ADD:0255043,-2.59,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c5ccc(cc5)F)n4.Br,0.0
66060,CO-ADD:0247643,-2.59,P(N(C(C)C)C(C)C)(C(Cl)(Cl)Cl)C(Cl)(Cl)[Si](C)(C)C,0.0
66061,CO-ADD:0248845,-2.59,c12c(nnc(N\N=C/c(cc(OCO3)c3c4)c4Cl)n1)c(c5[nH]2)cccc5C,0.0
66062,CO-ADD:0248992,-2.59,c1(C(F)(F)F)nc(sc1c2ccc(c3n2)cccc3)\N=C\c(cc4)ccc4OCC,0.0
66063,CO-ADD:0254316,-2.59,c1(SCc(cc2)ccc2SCC(=O)NCc3ccccc3)sc4c(ccc(c4)NC(=O)c5ccc(cc5)OCCCCCCCCCC)n1,0.0
66064,CO-ADD:0154543,-2.59,CC(C=C1)=CC=C1/C=C(C(OCC)=O)/C#N,0.0
66065,CO-ADD:0158145,-2.59,O=C(N/N=C/C1=CC(Br)=C(OC)C=C1)COC2=CC(C)=CC=C2C(C)C,0.0
66066,CO-ADD:0157961,-2.59,O=C(OCC)C1=C(C)NC(C2=CC=CC=C2)=C1C3=CC=CC=C3,0.0
66067,CO-ADD:0284679,-2.59,c1(sccn1)NC(=O)CC(=O)Nc2sccn2,0.0
66068,CO-ADD:0277940,-2.59,[N+](=O)([O-])c(cc1)ccc1\C(=N/Nc2ccccc2)\Sc3cccc(cccn4)c34,0.0
66069,CO-ADD:0278093,-2.59,c1(NC(C)=O)cc(nn1c2ccccc2)c(cc3)ccc3C(C)(C)C,0.0
66070,CO-ADD:0277709,-2.59,C(O)(c1ccc(cc1)NC(=O)c2cccs2)(C(OCC)=O)C(F)(F)F,0.0
66071,CO-ADD:0278039,-2.59,c1(c2ccc(cc2Cl)Cl)nnc(SCc(cc3)ccc3OC)o1,0.0
66072,CO-ADD:0277560,-2.59,N1(c2ccc(cc2)OC)C(c(cc3)ccc3C(OC)=O)Nc(c4C1=O)cccc4,0.0
66073,CO-ADD:0284882,-2.59,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)S\C(\NC)=N\c3ccccc3OC,0.0
66074,CO-ADD:0257722,-2.59,C(C(O)=O)(C1c2ccccc2)C(C1C(OCCC(C)C)=O)c3ccccc3,0.0
66075,CO-ADD:0257195,-2.59,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(=O)c3ccc(cc3)F)F,0.0
66076,CO-ADD:0257675,-2.59,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3OC(=O)c4ccccc4OC)=N1,0.0
66077,CO-ADD:0284340,-2.59,C(=O)(NC(NCCC(C)C)=O)c1c(C)cc(nc1Cl)Cl,0.0
66078,CO-ADD:0283868,-2.6,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c(cc4OCC)cc(c4O)Br,0.0
66079,CO-ADD:0259227,-2.6,C(C#N)(=C(N)OC(=C12)CCCC1=O)C2c3ccccc3F,0.0
66080,CO-ADD:0277999,-2.6,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C/c(cc3OC)cc(c3OC4=O)S4)\C1=O)C,0.0
66081,CO-ADD:0278151,-2.6,N1(CC(=O)Nc(cc2)ccc2S(N)(=O)=O)C(=O)CN(c3ccccc3)C1=O,0.0
66082,CO-ADD:0259139,-2.6,c(C(c1ccccc1)=O)(sc(c23)nc(c(C#N)c2C(C)C)N)c3N,0.0
66083,CO-ADD:0258517,-2.6,c1(cc(C)c(cc1[N+](=O)[O-])C)c2ccc(\C=N\c(ccc(c34)cccc3)c4)o2,0.0
66084,CO-ADD:0258557,-2.6,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3O)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
66085,CO-ADD:0284148,-2.6,N(\C(=N/c1ccccc1)\C2(N3c4cccc(Cl)c4)CCCCC2)=C3SC.I,0.0
66086,CO-ADD:0278989,-2.6,N1(C)C(=O)\C(\SC1=S)=C/c2ccccn2,0.0
66087,CO-ADD:0283917,-2.6,N(CN1CCC(CC1)Cc2ccccc2)(c(cccc3)c3C45OCCO4)C5=O,0.0
66088,CO-ADD:0284752,-2.6,c12c(nnc(SCC#C)n1)c3c(cccc3)n2CC,0.0
66089,CO-ADD:0284872,-2.6,C1(C2=O)C(C(N(CCC3)N13)c4ccccc4)C(N2c5ccc(cc5)Br)=O,0.0
66090,CO-ADD:0283936,-2.6,n1(C)c(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)N(CC4)CCO4)c2)nnc1c5ccccc5,0.0
66091,CO-ADD:0215744,-2.6,N1(c2ccccc2)CC(CC1=O)C(=O)N\N=C\c(cc3)ccc3OC,0.0
66092,CO-ADD:0215745,-2.6,c1(ccc(cc1Cl)Cl)C(=O)NCc(cccn2)c2,0.0
66093,CO-ADD:0215841,-2.6,C(=O)(C(=O)NCC(C)C)Nc1cc(C)ccc1C,0.0
66094,CO-ADD:0249323,-2.6,N1c2c(\C(=N\c(cc3)ccc3Br)\C1=O)cccc2C,0.0
66095,CO-ADD:0247464,-2.6,C1(C(=O)Nc(cccc2[N+](=O)[O-])c2)C(C13)CCCC3,0.0
66096,CO-ADD:0247682,-2.6,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c(cc2O)nc(n2)SCC,0.0
66097,CO-ADD:0247506,-2.6,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C(/C)\c(ccc(c45)OCCO4)c5)C2,0.0
66098,CO-ADD:0249204,-2.6,c1(O2)c(c3c(NC2c4ccccc4OC)cccc3)nnc(SCCC)n1,0.0
66099,CO-ADD:0249180,-2.6,n1(nnc(C(=O)N\N=C\C=C\c2ccccc2)c1CN3CCCCCC3)c4nonc4N,0.0
66100,CO-ADD:0247635,-2.6,P(N(C(C)C)C(C)C)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,0.0
66101,CO-ADD:0249735,-2.6,c1(cc(Cl)cc(Cl)c1O)C(=O)N\N=C\c2c(cccc2F)Cl,0.0
66102,CO-ADD:0254853,-2.6,N12C(S\C(=C\c(cccn3)c3)\C1=O)=C(C(c(cccn4)c4)C(C(OC)=O)=C2N)C(OCC)=O,0.0
66103,CO-ADD:0247798,-2.6,C1(C)(C)C(C1CN(Cc(c(F)c2F)c(F)c(c2F)F)C#N)CC(C)(C)O,0.0
66104,CO-ADD:0254617,-2.6,N1(C2c3ccccc3)C(S\C(=C\c(cc4)ccc4OCc5cccc(cccc6)c56)\C1=O)=NC(C)=C2C(OCC)=O,0.0
66105,CO-ADD:0254633,-2.6,C1(NC(CSc2sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
66106,CO-ADD:0217196,-2.6,N(=C(/CCC)\c1ccc(cc1)Br)/NC(=O)c2ccc(cc2)Br,0.0
66107,CO-ADD:0158162,-2.6,O=C(C1=CC=CS1)NC2=CC=CC=C2Cl,0.0
66108,CO-ADD:0158210,-2.6,O=C(NC1=CC=CC=C1)C(C(C2=CC=CC=C2)C=C3)C(C(O)=O)C3C4=CC=CC=C4,0.0
66109,CO-ADD:0154562,-2.6,ClCCCCCN1CCCCC1.Cl,0.0
66110,CO-ADD:0277848,-2.6,N1(C2c3ccccc3OC)C(S\C(=C\c(ccc(c4)N(CC)CC)c4OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
66111,CO-ADD:0277313,-2.6,C1(Nc(cc2)ccc2N(CC3)CCO3)=CC(=O)NC(=O)N1,0.0
66112,CO-ADD:0277809,-2.6,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c4ccccc4Cl)\C1=O,0.0
66113,CO-ADD:0277306,-2.6,C(c1ccco1)(Oc(ccc(c2)C)c2C3=O)=C3,0.0
66114,CO-ADD:0257222,-2.6,C(=C\c(cc1)ccc1OCC=C)(/C(c2ccccc2)=NN3c(cc4)ccc4[N+](=O)[O-])\C3=O,0.0
66115,CO-ADD:0257248,-2.6,C(/C#N)(\C(N)=O)=C/c(ccc1c2cc(Cl)ccc2Cl)o1,0.0
66116,CO-ADD:0284053,-2.6,c1(C(c2ccccc2)c3ccccc3)nnc(NC(=O)c4cccs4)s1,0.0
66117,CO-ADD:0283142,-2.61,C1(C2c3ccccc3O)=C(CC(C)(C)CC1=O)N(C(CC(C)(C)CC4=O)=C24)CC,0.0
66118,CO-ADD:0283177,-2.61,[n+]1([O-])onc(N)c1C(OC)=O,0.0
66119,CO-ADD:0278785,-2.61,C(=CC(\C=C\c(ccc1c2cc(Cl)ccc2OC)o1)=NC3=O)(C(F)(F)F)N3,0.0
66120,CO-ADD:0277880,-2.61,C12(OCCO1)C3(CCCCC3)OC(c4ccc(cc4)OC)C2,0.0
66121,CO-ADD:0277745,-2.61,n1c(c2ccc(cc2)F)[nH]c(c3ccccc3)c1c4ccc(cc4)Sc5ccccc5,0.0
66122,CO-ADD:0277779,-2.61,c1(C#N)c2c(sc1\N=C\c3cccc(Cl)c3Cl)CCC2,0.0
66123,CO-ADD:0277846,-2.61,N1(C2c3cccs3)C(S\C(=C\c(cc4I)cc(c4OCc5ccccc5Cl)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
66124,CO-ADD:0284917,-2.61,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(O)C(N2c(cccn4)c4)=O,0.0
66125,CO-ADD:0284366,-2.61,c1(C(=O)c(cc2)ccc2C(=O)c3c(N)c(c4s3)ccc(C)n4)c(N)c(c5s1)ccc(C)n5,0.0
66126,CO-ADD:0283799,-2.61,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)NC(C)C)c1Br,0.0
66127,CO-ADD:0259134,-2.61,N1(c2ccc(cc2)Sc(cc3)ccc3N4C(=O)C=CC4=O)C(=O)C=CC1=O,0.0
66128,CO-ADD:0259063,-2.61,C(=N)(N1CCCCCC1)\C(\C#N)=N\Nc(cc2)ccc2OC,0.0
66129,CO-ADD:0258367,-2.61,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
66130,CO-ADD:0284761,-2.61,C12(C=Cc3c(ccc(cccc4)c34)O1)C(C)(C)c(c5N2CC=C)cccc5,0.0
66131,CO-ADD:0284785,-2.61,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(=O)N\N=C(/C)\c3ccc(c4c3)cccc4,0.0
66132,CO-ADD:0284793,-2.61,N1(C(c2ccc(c(OC)c2)OC)CC(c3cccs3)=N1)c4scc(c5ccc(c(C)c5)C)n4.Br,0.0
66133,CO-ADD:0215212,-2.61,N1\C(=N/N=C/c2ccccc2Cl)\S\C(=C/c3ccccc3Cl)\C1=O,0.0
66134,CO-ADD:0217692,-2.61,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1I)C(=O)Nc(ccc(c2Cl)C)c2,0.0
66135,CO-ADD:0217687,-2.61,N1(c2ccc(cc2)Oc(cc3)ccc3Oc(cc4)ccc4N5C(=O)C=CC5=O)C(=O)C=CC1=O,0.0
66136,CO-ADD:0249148,-2.61,P(c1ccccc1)(c2ccccc2)(=O)c3ccccc3OCCOCCOc4ccccc4P(c5ccccc5)(c6ccccc6)=O,0.0
66137,CO-ADD:0249670,-2.61,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(CSCc3ccccc3Cl)=O)o2,0.0
66138,CO-ADD:0249578,-2.61,N1(CC2CCCCC2)\C(=N\c3ccccc3)\SC(CC(=O)Nc4ccccc4)C1=O,0.0
66139,CO-ADD:0249113,-2.61,S(=O)(=O)(N1CCCCCC1)c(c(C)ccc2S(=O)(=O)c(cccc3S(=O)(=O)N4CCCCCC4)c3)c2,0.0
66140,CO-ADD:0254837,-2.61,c1(OC(N)=C([C@]2([H])c3ccccc3[N+](=O)[O-])C#N)c2c(n[nH]1)CSc4nc(C)cc(C)c4C#N,0.0
66141,CO-ADD:0254780,-2.61,c1(C(OCC)=O)oc(c2c1NC(C)=O)cccc2,0.0
66142,CO-ADD:0249122,-2.61,C1(Cl)(Cl)C(C1CC2)CCC3C2C3C(=O)Nc4cccc(Br)c4,0.0
66143,CO-ADD:0254797,-2.61,n1nc(Cl)c(c2c1N\N=C\c3ccc(cc3O)O)cccc2,0.0
66144,CO-ADD:0158226,-2.61,O=C(N/N=C(CCCCC)\C1=CC=CC=C1)C2=CC=CO2,0.0
66145,CO-ADD:0137594,-2.61,O=C(NCCC(N)=N)C1=CC(NC(C2=CC(NC(C3=CC=CC=C3)=O)=CN2C)=O)=CN1C.OC(C(F)(F)F)=O,0.0
66148,CO-ADD:0154560,-2.61,ClCCCN1CCCCC1.Cl,0.0
66149,CO-ADD:0157969,-2.61,BrC1=C(O)C(OC)=CC(/C=N/C2=CC=C(C=C2)C3=CC=C(O)C=C3)=C1,0.0
66150,CO-ADD:0277475,-2.61,n1c(c2cccc(O)c2)[nH]c(c3ccccc3)c1c(cc4)ccc4C(=O)c(cc5)ccc5c([nH]c(n6)c7cccc(O)c7)c6c8ccccc8,0.0
66151,CO-ADD:0284123,-2.61,c1(CN2CCCCC2)c3c([nH]c1C(OC)=O)cccc3,0.0
66152,CO-ADD:0284100,-2.61,c1(C(OCC)=O)c(cc(O)cc2)c2n(c3ccccc3)c1C,0.0
66153,CO-ADD:0278964,-2.62,N(\C(=C/c(ccc(c1OCC)OC)c1)\C(O2)=O)=C2c3ccc(cc3)C,0.0
66154,CO-ADD:0278960,-2.62,[N+](=O)([O-])\C(\C)=C\c(ccc(c1OC)OCC=C)c1,0.0
66155,CO-ADD:0258657,-2.62,C(=C(/C(C)=O)\C(=O)OC(C)(C)C)(/N\C(=C(\C(C)=O)/C(=O)OC(C)(C)C)\N\C\1=C(\C(C)=O)/C(=O)OC(C)(C)C)\N1,0.0
66156,CO-ADD:0258314,-2.62,c1(cc(Br)ccc1NC(=O)c2cccc(OC)c2)C(O)=O,0.0
66157,CO-ADD:0283295,-2.62,N1(\N=C(/C2)\c3c(CC2)cccc3)C(=O)c(c4C1=O)cccc4,0.0
66158,CO-ADD:0283610,-2.62,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)c(c(Cl)ccc4S(=O)(=O)N(CC)CC)c4,0.0
66159,CO-ADD:0284636,-2.62,C(C(OCC)=O)(=C(C)N1)C(c(cc2)cc(c2OC(C)=O)OC)N=C1SC(C)=O,0.0
66160,CO-ADD:0283869,-2.62,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c(cc4OC)cc(c4O)Br,0.0
66161,CO-ADD:0217469,-2.62,N1(C(=O)CSC1=O)c2cccc(C)c2,0.0
66162,CO-ADD:0216872,-2.62,C([C@@H]1NC(=O)Cc2ccccc2)[C@H](OCC1)c3c(cccc3F)F,0.0
66163,CO-ADD:0217200,-2.62,C(=O)(C(C)(C)C)Nc(cc1)ccc1C(=O)N\N=C\c2ccccc2O,0.0
66164,CO-ADD:0249630,-2.62,N1(c(cc2Cl)cc(c2N)Cl)C(=O)c3c(cccc3)C1=O,0.0
66165,CO-ADD:0247483,-2.62,C(C(Cl)(Cl)Cl)(=Nc(cccc1)c1C2(c3ccccc3)c4ccccc4)O2,0.0
66166,CO-ADD:0247658,-2.62,N(CC1)(CCN1CCOc2ccccc2OC)C(c3ccccc3)c4ccc(cc4)F,0.0
66167,CO-ADD:0249353,-2.62,c1(sc(c(c(ccc(c2[N+](=O)[O-])OC)c2)n1)C)NC(=O)c3ccccc3C(O)=O,0.0
66168,CO-ADD:0247468,-2.62,c1(ccc(\C=N\NC(=O)c2ccccc2OC)o1)Sc3ccc(\C=N\NC(=O)c4ccccc4OC)o3,0.0
66169,CO-ADD:0247743,-2.62,S(OCCC(C)C)(=O)(=O)c(ccc(c1C2=O)c(c23)ccc(c3)S(OCCC(C)C)(=O)=O)c1,0.0
66170,CO-ADD:0248038,-2.62,S(=O)(=O)(c1cc(C)ccc1C)n(ccn2)c2,0.0
66171,CO-ADD:0254956,-2.62,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C3CCCCC3)c1CN(CC4)CCN4c5ccccc5C,0.0
66172,CO-ADD:0254649,-2.62,N1(CNc(ccc(c2Cl)Cl)c2)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
66173,CO-ADD:0154596,-2.62,ClC1=NC2=CC(OC)=CC=C2C=C1C3C(C(CC(C)(C)C4)=O)=C4OC5=C3C(N)=C6C(CCCCC6)=N5,0.0
66174,CO-ADD:0159678,-2.62,OC1C[C@@H](O)[C@H](O)[C@@H]([C@H](O)CO)O1,0.0
66175,CO-ADD:0159682,-2.62,O[C@H]1[C@H](O)[C@@H]([C@@H](O)CO)OC(C[C@H](C)OP(O)(O)=O)[C@H]1O.CCN(CC)CC,0.0
66176,CO-ADD:0257460,-2.62,C1(C2=O)C(C(C=C3)(OC13C)C)C(N2c(cc4)ccc4C(O)=O)=O,0.0
66177,CO-ADD:0278219,-2.62,S1(=O)(=O)c(cccc2)c2C(N(C)c3ccc(cc3)OC(=O)c(cc4OC)cc(c4OC)OC)=N1,0.0
66178,CO-ADD:0278805,-2.62,N1(c2cccc(OC(C)=O)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)NCc(cc4)ccc4C(O)=O,0.0
66179,CO-ADD:0278278,-2.62,n(c1ccccc1)(c2C)c(C)cc2\C=C(\SC(N3)=N)/C3=O,0.0
66180,CO-ADD:0278183,-2.62,N1C(=O)Cc(c2C1c3ccc(cc3)C)cccc2,0.0
66181,CO-ADD:0284605,-2.62,c(c1c(NC)cc2Nc(cc3)ccc3C)(c(c4c(C5=O)cccc4)on1)c25,0.0
66182,CO-ADD:0284637,-2.62,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c3ccc(c(OCC)c3)O,0.0
66183,CO-ADD:0284038,-2.62,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(ccc4c(cc5)ccc5C(O)=O)o4)\C1=O,0.0
66184,CO-ADD:0247481,-2.62,C(=O)(N\N=C\c(ccc(c1OCC)OCc(cc2)ccc2Br)c1)CCSc(cc3)ccc3Cl,0.0
66185,CO-ADD:0248899,-2.62,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c4ccco4)C2,0.0
66186,CO-ADD:0248883,-2.62,C1(NC(CSc2sc3c(ccc(c3)\N=C\c(cc4)ccc4F)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
66187,CO-ADD:0254507,-2.63,S1(=O)(=O)c(cccc2)c2C(NCCOC(=O)c3ccccc3F)=N1,0.0
66188,CO-ADD:0217232,-2.63,C(Oc(cc1)ccc1C(=O)Nc2cccc(C)c2C)(=S)Nc(cc3)ccc3I,0.0
66189,CO-ADD:0247709,-2.63,C(C(=O)N\N=C\c1cc(Br)ccc1O)(C2)=NNC2(c3ccccc3)c4ccccc4,0.0
66190,CO-ADD:0216817,-2.63,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(CSCc(cc2)ccc2[N+](=O)[O-])=O)c1,0.0
66191,CO-ADD:0249095,-2.63,c1(NC(Cc(ccc(c2OC)OC)c2)=O)sc(c(C)c1C(OCC)=O)C,0.0
66192,CO-ADD:0248908,-2.63,C1(C(OCCOc2ccccc2)=O)=C(C)NC(NC1c(ccc(c34)OCO3)c4)=O,0.0
66193,CO-ADD:0255157,-2.63,C(=N/c1ccccc1)(/SC=C2c3ccc(cc3)I)\N2CCO.Br,0.0
66194,CO-ADD:0247671,-2.63,C(=S)(Nc(cc1)ccc1C(OC)=O)NC(=O)\C=C\c2ccccc2,0.0
66195,CO-ADD:0247629,-2.63,N1(c2c(OC1=S)cccc2)\C=C\C(c3ccccc3)=O,0.0
66196,CO-ADD:0254430,-2.63,C(c(cc1)ccc1C(c2ccccc2)c3ccccc3)(C(F)(F)F)(C(F)(F)F)C(F)(F)F,0.0
66197,CO-ADD:0137559,-2.63,CN1C=C(NC(C(C=C2)=CC=C2/C=C/C3=CC=NC=C3)=O)C=C1C(NC4=CN(CCCSC5=CC=CC=C5)C(C(NCCN6CCOCC6)=O)=C4)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
66198,CO-ADD:0133873,-2.63,O=C(c1[nH]c([N+](=O)[O-])cn1)NCc2ccccc2,0.0
66200,CO-ADD:0277805,-2.63,C(CC(c1ccccc1)CC2=O)(Nc3c(OC)ccc(OC)c3)=C2,0.0
66201,CO-ADD:0278631,-2.63,s1c(NC(CSCc2ccccc2)=O)nnc1c3ccco3,0.0
66202,CO-ADD:0277615,-2.63,c12c(c3c(cccc3)o1)nc(c4ccccc4)nc2Sc5ccccc5,0.0
66203,CO-ADD:0283855,-2.63,C1(C2c3ccc(cc3)OCc4ccccc4)=C(CC(c5ccc(cc5)OC)CC1=O)NC(C)=C2C#N,0.0
66204,CO-ADD:0284567,-2.63,S(=O)(=O)(c(cccc1C(=O)N2CCCc(cccc3)c23)c1)Nc(cc4)ccc4Cl,0.0
66205,CO-ADD:0283230,-2.63,C(C(=O)OC(C)CC)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
66206,CO-ADD:0283631,-2.63,c1(SCC(NCCOc(cc2)ccc2Cl)=O)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
66207,CO-ADD:0216928,-2.63,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(cccc3)c23)\C=N\c(cc4)ccc4Br,0.0
66208,CO-ADD:0252523,-2.63,S(C)(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)N\N=C(/CCCCCC2)\C2,0.0
66209,CO-ADD:0216952,-2.63,[N+](=O)([O-])c1ccccc1C(=O)N\N=C(/C)\CC(=O)Nc2cc(C)ccc2OC,0.0
66210,CO-ADD:0252487,-2.63,N1(c2nccc(Cl)c2)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
66211,CO-ADD:0217380,-2.63,n1c2c(sc1c3ccc(cc3)\N=C\c(cc(OCO4)c4c5)c5Br)ccc(C)c2,0.0
66212,CO-ADD:0255044,-2.64,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c5cc(C)ccc5C)n4.Br,0.0
66213,CO-ADD:0247716,-2.64,N(C(OC)=O)(C=CC(C1Nc2ccccc2)OC(C)=O)C1C,0.0
66214,CO-ADD:0248013,-2.64,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C/c(cc6)ccc6I)n1,0.0
66215,CO-ADD:0247735,-2.64,S(=O)(=O)(\C=C\c1ccccc1)Nc2ccccc2OC,0.0
66216,CO-ADD:0248029,-2.64,c1(SCC(=O)N\N=C\c2ccccc2OCc3ccccc3)ncccn1,0.0
66217,CO-ADD:0254984,-2.64,c1(SCC(NCCCC)=O)sc2c(ccc(c2)NC(=O)c3ccc(cc3)C)n1,0.0
66218,CO-ADD:0254969,-2.64,[C@]1(C#N)(C#N)[C@@H](c2cccc(SC)c2)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C56CC7CC(CC(C7)C5)C6,0.0
66219,CO-ADD:0249045,-2.64,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(ccc(c2OC)OC)c2)n3c(cccc3)c1S(CCC)(=O)=O,0.0
66220,CO-ADD:0252795,-2.64,N1(CN(CC2)CCN2c3ccc(cc3)F)C(=O)c4c(cccc4)C1=O,0.0
66221,CO-ADD:0249412,-2.64,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cccc(OC)c2OCc3ccc(cc3Cl)Cl,0.0
66222,CO-ADD:0252251,-2.64,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c(cc5)ccc5[N+](=O)[O-])n4.Br,0.0
66223,CO-ADD:0137566,-2.64,CC(C)C1=C(C(NCCCN(C)C)=O)N=C(NC(C2=CC(NC(C3=CN=C(/C=C/C4=CC=C(OC)C=C4)C=C3)=O)=CN2C)=O)S1.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
66224,CO-ADD:0283611,-2.64,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Nc(cccc3C(O)=O)c3,0.0
66225,CO-ADD:0277412,-2.64,N1(C(c2ccccc2)=O)c3c([C@]([H])(CN(C)CC4)[C@@]14[H])cc(C)cc3.Cl,0.0
66226,CO-ADD:0278379,-2.64,c1(SC2CCCCC2=O)oc(c3n1)cccc3,0.0
66227,CO-ADD:0279099,-2.64,C1(C(=O)c2ccc(cc2)C)=C(O)C(NC1c3ccccc3Cl)=O.[Na+],0.0
66228,CO-ADD:0278862,-2.64,c1(SCC(O)COc2ccccc2)oc(c3n1)cccc3,0.0
66229,CO-ADD:0283106,-2.64,c1(N(CC2)CCO2)nc(NNC(C)=O)cc(N(CC3)CCO3)n1.Cl,0.0
66230,CO-ADD:0278180,-2.64,C(C(OCC)=O)(C1c(cc2)ccc2N(C)C)=C(C)NC(CC(c3ccc(cc3)OC)CC4=O)=C14,0.0
66231,CO-ADD:0278244,-2.64,c(non1)(nc(Oc(cc2)c(OC)cc2C3Nc(ccc(c45)cccc4)c5C(CC(C)(C)CC6=O)=C36)c(n7)Nc8cccc(C)c8C)c17,0.0
66232,CO-ADD:0284247,-2.64,c12c(N=C(C)NC1=O)c(c3s2)ccc(C)n3,0.0
66233,CO-ADD:0283263,-2.64,C1(NC(=O)c2cccc(OC)c2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
66234,CO-ADD:0283217,-2.64,C(C(OCC)=O)(C(C)(O)CC(C1C(OCC)=O)=O)C1c(cc2)ccc2C(C)C,0.0
66235,CO-ADD:0284513,-2.65,c12c(c(cc(Oc(c3N4)cccc3)c14)OC(c5ccccc5)=O)C(c6c(cccc6)C2=O)=O,0.0
66236,CO-ADD:0283289,-2.65,N1(c(cc2)cc(c2C(O)=O)Cl)C(=O)C3C(CCCC3)C1=O,0.0
66237,CO-ADD:0279033,-2.65,C(/C(OCC)=O)(=C\Nc1ccccc1)\[N+](=O)[O-],0.0
66238,CO-ADD:0217125,-2.65,C(C(OCC)=O)(C1c2ccc(cc2)CC)=C(c3ccccc3)OC(N)=C1C#N,0.0
66239,CO-ADD:0216933,-2.65,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)C(=O)Nc3cc(C)ccc3C,0.0
66240,CO-ADD:0254704,-2.65,N(/c1ccccc1C)=C\c(ccc(c2)N(CC)CC)c2O,0.0
66241,CO-ADD:0252600,-2.65,N(=C1c2ccccc2)\C(=C(\C)/c(cc3)ccc3[N+](=O)[O-])\C(O1)=O,0.0
66242,CO-ADD:0216941,-2.65,C(Oc(cc1)ccc1C(=O)Nc2cccc(C)c2C)(=S)Nc(cc3)ccc3OC,0.0
66243,CO-ADD:0249488,-2.65,c1(N\N=C\c(cccc2[N+](=O)[O-])c2)sc(c3n1)cccc3,0.0
66244,CO-ADD:0249210,-2.65,c1(ccc(\C=N\Nc2nc(C)cc(COC)c2C#N)o1)c3ccccc3C(O)=O,0.0
66245,CO-ADD:0249588,-2.65,S(=O)(=O)(Nc(cc1)ccc1C)c2cccc(nsn3)c23,0.0
66246,CO-ADD:0254682,-2.65,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2cccc(cccc3)c23)n4c(c5c(cc4)cccc5)c1S(CCC)(=O)=O,0.0
66247,CO-ADD:0255087,-2.65,n1(nnc(C(OCC)=O)c1CSc2[nH]c(c3n2)cccc3)c4nonc4N,0.0
66248,CO-ADD:0249461,-2.65,S(=O)(=O)(c1cccc(Cl)c1Cl)n2ccnc2C(C)C,0.0
66249,CO-ADD:0249250,-2.65,N1(c2ccc(cc2)N)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
66250,CO-ADD:0249233,-2.65,C(=O)(c(ccc(c12)OCO1)c2)Oc3ccccc3\C=N\NC(=O)c4cccc(F)c4,0.0
66251,CO-ADD:0249422,-2.65,c1(NC(c2ccccc2)=O)n(c3ccccc3)ncc1C(=O)N4CCCCCC4,0.0
66252,CO-ADD:0156612,-2.65,NC(C(O)=O)CC1=CC=CC(F)=C1.OC(C(F)(F)F)=O,0.0
66253,CO-ADD:0284880,-2.65,C(=C(/C)\Nc1cccc(cccc2)c12)/C(=O)c(cccn3)c3,0.0
66254,CO-ADD:0257737,-2.65,c1(C(F)(F)F)nc(sc1c2cccc(Cl)c2)Nc(ccc(c34)cccc3)c4,0.0
66255,CO-ADD:0258041,-2.65,C(C(OCC)=O)(=C1C)\C(=C\c2cc(OC)ccc2OC)\C(N1c3ccccc3)=O,0.0
66256,CO-ADD:0257275,-2.65,N1(C(C)C(=O)OCC(c2ccccc2)=O)C(=O)c3c(cccc3)C1=O,0.0
66257,CO-ADD:0283871,-2.65,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4ccc(c(OCC)c4)O,0.0
66258,CO-ADD:0284399,-2.65,c1(SCC(=O)Nc2ccccc2C(OC)=O)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
66259,CO-ADD:0279065,-2.65,C(C(=O)OC(C)(C)C)(=C(C)OC(=C1C#N)N)C1c2ccccc2F,0.0
66260,CO-ADD:0283155,-2.65,n1(c(cc2)ccn2)c(c3ccccc3)nnc1c4ccccc4,0.0
66261,CO-ADD:0217181,-2.65,C(/O)(\c1ccc(cc1)Cl)=C/C=N/c(cc2)ccc2O,0.0
66262,CO-ADD:0252488,-2.65,c1(C(=O)N\N=C\c2c3c(cccc3)cc(cccc4)c24)nonc1N,0.0
66263,CO-ADD:0217073,-2.65,C(CSCc1ccccc1Br)(=O)N\N=C\c(cc2)ccc2Cl,0.0
66264,CO-ADD:0217089,-2.65,N1(CC(OCC)=O)C=CC(C=C1)=N.Cl,0.0
66265,CO-ADD:0217328,-2.65,c(Nc1ccccc1)(nc(N\N=C/c(ccc2c3ccc(cc3)F)o2)nc4Nc(cc5)ccc5[N+](=O)[O-])n4,0.0
66266,CO-ADD:0255045,-2.65,C(=N\c1ccccc1)(/SC=C2c(cc3)ccc3c4ccccc4)\N2CC.Br,0.0
66267,CO-ADD:0249671,-2.66,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c(cc4)ccc4OCC(=O)N5CCCCC5)C2,0.0
66268,CO-ADD:0249708,-2.66,N1(c2ccc(c(C)c2)C)C(C)=Nc(c3C1=O)ccc(c(ccc(c4C5=O)N=C(N5c6ccc(c(C)c6)C)C)c4)c3,0.0
66269,CO-ADD:0249345,-2.66,n1(C)c(SCC(=O)Nc(cc2)ccc2F)nnc1c(cc3)ccc3C(C)(C)C,0.0
66270,CO-ADD:0249263,-2.66,c1(Cl)c(Cl)ccc(c1)NC(COc(cc2)ccc2C3CCCCC3)=O,0.0
66271,CO-ADD:0249018,-2.66,C(=O)(N\N=C\c1cccs1)C(=O)Nc2cccc(C)c2C,0.0
66272,CO-ADD:0217494,-2.66,c1(sc(c2n1)cccc2)c3ccc(cc3O)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br,0.0
66273,CO-ADD:0217518,-2.66,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cccc2OC(=O)c3ccccc3Cl)c2)=C\c4cccs4,0.0
66274,CO-ADD:0157949,-2.66,O=C(NC(C=C1)=CC=C1C)C/C(C)=N/NC(CC2=CC=C(C3=CC=CC=C3)C=C2)=O,0.0
66275,CO-ADD:0159665,-2.66,ClC(C=CC=C1)=C1C2=NN=C3N2C(OCCC4=CC=CC=C4)=CN=C3,0.0
66276,CO-ADD:0278011,-2.66,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)\N=C\c(cccc4[N+](=O)[O-])c4)n1,0.0
66277,CO-ADD:0277715,-2.66,C1(O)(c2c(N(C)C1=O)cccc2)C3CCc(c4C3=O)cc(cc4)OC,0.0
66278,CO-ADD:0278084,-2.66,N12C(CC(c3ccc(cc3)Br)=N1)c(c4C2=O)ccc(OC)c4OC,0.0
66279,CO-ADD:0259816,-2.66,C1(C(=O)OC2CCCCC2)=C(C)NC(=O)NC1c3ccc(cc3)OCCC,0.0
66280,CO-ADD:0284353,-2.66,N1(CC(C)OC(c(cccc2[N+](=O)[O-])c2)O1)C(c3ccccc3)=O,0.0
66281,CO-ADD:0284433,-2.66,c12n(C(CS1)c(cc3)ccc3[N+](=O)[O-])cnc4c2ncn4,0.0
66282,CO-ADD:0283802,-2.66,c1(ccc(C(=O)Nc2ccccc2N(C)C)o1)C(c3ccccc3)=O,0.0
66283,CO-ADD:0284037,-2.66,n12c(S\C(=C\c(cc3OCC)cc(c3O)Cl)\C1=O)nc(cc(C)c(C)c4)c24,0.0
66284,CO-ADD:0278453,-2.66,c1(CN(CC2)CCN2c3ccccc3C)n(C)c4c(cccc4)c1C#N,0.0
66285,CO-ADD:0217227,-2.66,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c3ccccc3\N=C\c(ccc(c4[N+](=O)[O-])OC(=O)c5ccc(cc5)OC)c4,0.0
66286,CO-ADD:0217215,-2.66,C(=O)(Nc(c(ccc1C(F)(F)F)OCC(F)(F)C(F)F)c1)c2ccccc2Cl,0.0
66287,CO-ADD:0215028,-2.66,c1(SCC(=O)N\N=C\c(cc2)ccn2)oc(c3n1)cccc3,0.0
66288,CO-ADD:0217121,-2.67,C(C(OCC)=O)(=C(CSc1nc(CCCC2)c2c(c3cccs3)c1C#N)OC(=C4C#N)N)C4c5ccccc5Br,0.0
66289,CO-ADD:0249072,-2.67,s1c(N)nnc1c(cc2OC)cc(c2OC)OC,0.0
66290,CO-ADD:0254716,-2.67,C(C(OC)=O)(C1c2ccc(cc2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
66291,CO-ADD:0217021,-2.67,N1(CNc(cc2)ccc2Cl)C(=O)\C(\SC1=S)=C/c(ccc(c3Cl)Cl)c3,0.0
66292,CO-ADD:0217061,-2.67,N(=C(/C)\c1cccc(I)c1)/NC(CSCc2ccccc2Br)=O,0.0
66293,CO-ADD:0249027,-2.67,S1(=O)(=O)c(cccc2)c2C(N\N=C\c3cc(Br)ccc3O)=N1,0.0
66294,CO-ADD:0249620,-2.67,n1(c2ccccc2)c(COc(cc3)ccc3C4CCCCC4)nnc1S,0.0
66295,CO-ADD:0249622,-2.67,c1(C(=O)N(C)C(=N2)S)c2sc3c1CCC(C3)C(C)(C)C,0.0
66296,CO-ADD:0252540,-2.67,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc4c5ccc(cc5)Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
66297,CO-ADD:0252507,-2.67,C1(C(=O)Nc(cc2)ccc2F)C(C1(Cl)Cl)c3ccccc3,0.0
66298,CO-ADD:0252484,-2.67,N1(c2ccc(c(I)c2)C)C(=O)c(c3C1=O)cccc3,0.0
66299,CO-ADD:0157965,-2.67,[O-][N+](C1=CC(C2C(CC(C)(C)C3)=C(C3=O)OC4=C2CC(C)(C)CC4=O)=CC=C1Br)=O,0.0
66300,CO-ADD:0158213,-2.67,O=C(CC1=CC=CC=C1)NCC(N2)=NC3=C2C=CC=C3.Cl,0.0
66301,CO-ADD:0158297,-2.67,O=C(N=C(N1CCOCC1)S/2)C2=C/C(C=CC=C3)=C3O,0.0
66302,CO-ADD:0156651,-2.67,O=C(C(NC(CC1=CC=CC=C1)=O)CC2=CC=CC=C2)NCCC,0.0
66303,CO-ADD:0277765,-2.67,c1(C(=O)OCC(=O)c2ccc(cc2)Cl)nonc1N,0.0
66304,CO-ADD:0259770,-2.67,C(/S\C(\N1CC)=N/c2ccccc2)(=C(/C=Cc(c34)cccc3)\N4CC)\C1=O,0.0
66305,CO-ADD:0259810,-2.67,C1(C(OCCCCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC)=O,0.0
66306,CO-ADD:0278386,-2.67,c12c(nnc(SCC(N3)=C(C(CCCCC(OCC)=O)=O)NC3=O)n1)c(c4n2C(C)C)cccc4,0.0
66307,CO-ADD:0279058,-2.67,C(=N)(N1CCCCCC1)\C(\C#N)=N\Nc(cccc2C(F)(F)F)c2,0.0
66308,CO-ADD:0279066,-2.67,C(C(=O)OC(C)(C)C)(=C(C)OC(=C1C#N)N)C1c2cccc(F)c2,0.0
66309,CO-ADD:0277371,-2.67,c1(CC(OCC)=O)c(CN(CC2)CCN2C)c(c3n1Cc4ccccc4)cccc3.Cl,0.0
66310,CO-ADD:0217223,-2.67,N(=C\c(cc1)ccc1N(C)C)/NC(CCC(=O)NC2CCCCC2)=O,0.0
66311,CO-ADD:0278502,-2.67,C1(C#N)=C(N)Oc(ccc(cccc2)c23)c3C1c4ccc(cc4)Br,0.0
66312,CO-ADD:0283063,-2.67,c1(C(=O)N(C2=O)CCCCCC(OCCCC)=O)c2c(c(Cl)c(Cl)c1Cl)Cl,0.0
66313,CO-ADD:0283079,-2.67,c1(C)c(C(C)=O)oc(ccc2c3OC(=O)C=C2C)c13,0.0
66314,CO-ADD:0217239,-2.67,C(=O)(N(C1CCCCC1)C2CCCCC2)c3ccccc3C(OCCCC)=O,0.0
66315,CO-ADD:0283095,-2.67,N(c1ccccc1)(C(c2ccc(cc2)OCCCC)C=C3Nc4ccccc4)C3=O,0.0
66316,CO-ADD:0217255,-2.67,C(=O)(C\C(\C)=N/NC(=O)c1ccc(cc1)F)Nc2ccccc2CC,0.0
66317,CO-ADD:0217724,-2.68,C(OCCCC)(=O)c1ccc(cc1)NC(CCCC)=O,0.0
66318,CO-ADD:0249089,-2.68,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4ccccc4OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
66319,CO-ADD:0217349,-2.68,N(\C(=C/c(ccc1c2ccc(cc2)I)o1)\C(O3)=O)=C3c4ccc(cc4)Cl,0.0
66320,CO-ADD:0249551,-2.68,N(c1cccc(Br)c1)(C(=O)C(C23)C(C=C4)OC24CO)C3=O,0.0
66321,CO-ADD:0216962,-2.68,c1(ccc(cc1Cl)Cl)C(=O)Oc2cc(ccc2\C=N\NC(=O)c3ccc(cc3)NC(CC)=O)OC(=O)c4ccc(cc4Cl)Cl,0.0
66322,CO-ADD:0217354,-2.68,[N+](=O)([O-])c1cc2c(cc1\C=N\c(cc3)ccc3C(OCC)=O)OCO2,0.0
66323,CO-ADD:0249152,-2.68,S(c1ccccc1)(=O)(=O)Oc(cccc2\C=C(\C3=O)/N=C(O3)c4ccccc4)c2,0.0
66324,CO-ADD:0249754,-2.68,S(N)(=O)(=O)c1ccc(cc1)NC(CSc2nnc(N)s2)=O,0.0
66325,CO-ADD:0249271,-2.68,[N+](=O)([O-])c1ccc(cc1SCCO)N(CC2)CCN2CCO,0.0
66326,CO-ADD:0254312,-2.68,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)N(C(C)(C)C)\C=C(/Cl)\Cl,0.0
66327,CO-ADD:0254830,-2.68,C1(C#N)(C#N)C(N)=C(C#N)C(C(C2)C13CCN(CC3)CCC)=CCN2CCC,0.0
66328,CO-ADD:0157966,-2.68,[O-][N+](C1=CC(OCO2)=C2C=C1/C=N/NC(CC3=NN=C4N3C5=NON=C5N=C4NC6=CC=CC=C6)=O)=O,0.0
66329,CO-ADD:0158166,-2.68,[O-][N+](C(C=C1)=CC=C1N/N=C/C(C=CC=C2)=C2OCC(C=CC=C3)=C3Cl)=O,0.0
66330,CO-ADD:0217770,-2.68,c1(N(CC)c2ccccc2)c(N(C)C)nc(c3n1)non3,0.0
66331,CO-ADD:0217546,-2.68,n1c2c(oc1c3cccc(c3)\N=C\c(cc(Br)cc4Br)c4O)cccc2C,0.0
66332,CO-ADD:0135138,-2.68,O=C1N(Cc2ccc(OC(F)(F)F)cc2)C(C)=Cn(c13)cc([N+](=O)[O-])n3,0.0
66333,CO-ADD:0260042,-2.68,n1(c2c(n3)cccc2)c3S\C(=C\c(cn(n4)C(C)=O)c4c5ccccc5)\C1=O,0.0
66334,CO-ADD:0259485,-2.68,C([N+](=O)[O-])(C1c2ccc(c(OC)c2)OC)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
66335,CO-ADD:0259950,-2.68,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Br)c4sc(c5c4C(OC)=O)CCCCC5,0.0
66336,CO-ADD:0259531,-2.68,c1(scc(c2ccc(cc2F)F)n1)NC(=O)c3ccc(cc3)C,0.0
66337,CO-ADD:0259098,-2.68,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)NNC(=O)C(=O)NC(C)(C)C,0.0
66338,CO-ADD:0259067,-2.68,c(c1c2ccccc2)(C3c4ccccc4)c([nH]n1)OC(N)=C3C#N,0.0
66339,CO-ADD:0279082,-2.68,C(C(OCC)=O)(C1c2ccco2)=C(c3ccccc3)OC(N)=C1C#N,0.0
66340,CO-ADD:0278407,-2.68,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c5c4C(OCC)=O)CC(CC5)C)c1Br,0.0
66341,CO-ADD:0279111,-2.68,c1(sc(c(c2ccc(cc2)Br)n1)C)NC(=O)c3cccc(OC)c3,0.0
66342,CO-ADD:0277409,-2.68,C(=C/c(ccc1c2cc(Cl)ccc2OC)o1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
66343,CO-ADD:0277324,-2.68,c1(C(=O)Nc(cc2)ccc2OCC)c3c(sc1NC(=O)c4ccccc4F)CC(C)CC3,0.0
66344,CO-ADD:0277638,-2.68,N1(CCc(ccc(c2OC)OC)c2)C(C)(O)C(OC1=O)(C)CC,0.0
66345,CO-ADD:0259938,-2.68,N1(C(C)(C)C)C(=O)c(c2C1=O)ccc(c2)C(=O)Nc(c3)cc(cc3C(O)=O)C(O)=O,0.0
66346,CO-ADD:0259747,-2.68,c1(SC(CC)C(=O)Nc2nnc(C)s2)oc(c3n1)cccc3,0.0
66347,CO-ADD:0217654,-2.68,C(COc(cc1)ccc1CCC)(=O)N\N=C\c(cccn2)c2,0.0
66348,CO-ADD:0283120,-2.68,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CCCC2=O)C3c4cccc(OC)c4,0.0
66349,CO-ADD:0278375,-2.69,n1(c(C)cc(C)n1)C(=O)c2c(Cl)c(C)cc(F)c2F,0.0
66350,CO-ADD:0278439,-2.69,C1(C(=O)CSc(nc2C)c(C#N)c(c2C(=O)Nc3ccccc3)C)=Cc4c(OC1=O)cccc4,0.0
66351,CO-ADD:0215269,-2.69,C(=O)(c1ccc(cc1)C)Nc(cc2)ccc2NC(=O)c3ccc(cc3)C,0.0
66352,CO-ADD:0247660,-2.69,C(CCc1ccccc1O)(=O)NCc(cc2)ccc2C(C)C,0.0
66353,CO-ADD:0249044,-2.69,c1(\C(\C)=N\Nc2scc(c3ccc(cc3)Br)n2)c(C)non1,0.0
66354,CO-ADD:0249655,-2.69,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3OCC(O)=O)CCCC2,0.0
66355,CO-ADD:0217063,-2.69,S(c1ccccc1)(=O)(=O)N(Cc2ccccc2)CC(O)=O,0.0
66356,CO-ADD:0217373,-2.69,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C/c(ccc2c(ccc(c3Cl)F)c3)o2)nc4Nc(cc5)ccc5OC)n4,0.0
66357,CO-ADD:0249384,-2.69,C(=O)(Nc(cc(cc1C(O)=O)C(O)=O)c1)c2ccccc2Cl,0.0
66358,CO-ADD:0254636,-2.69,N1(c2ccc(c(C)c2)C)C(c3ccccc3)Nc(c4C1=O)cccc4,0.0
66359,CO-ADD:0254584,-2.69,C1(C(=O)Oc2cccc(OC)c2)=Cc(cc(Br)cc3Br)c3OC1=O,0.0
66360,CO-ADD:0247740,-2.69,C1(c2ccccc2)(C(Cl)Cl)NC(=O)N=C(c3ccccc3)N1,0.0
66361,CO-ADD:0247741,-2.69,[n+]1(Cc2ccccc2)c(c3ccccc3)csc1Nc4ccccc4.[Br-],0.0
66362,CO-ADD:0254328,-2.69,C(=O)(NNC(=S)NC(=O)\C=C\C)C(Oc1ccccc1)Oc2ccccc2,0.0
66363,CO-ADD:0248950,-2.69,C(COc1ccccc1OC)(=O)N\N=C\c(cc2)ccc2OCC(OC)=O,0.0
66364,CO-ADD:0254799,-2.69,c1(C)c(C)ccc(Oc(cc2)ccc2Oc(cc3)ccc3Oc(ccc(c4C)C)c4)c1,0.0
66365,CO-ADD:0247745,-2.69,c1(c(Cl)cc(cc1Cl)Cl)NNC(=O)c(cccc2C(=O)NNc3c(Cl)cc(cc3Cl)Cl)c2,0.0
66366,CO-ADD:0248045,-2.69,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Oc2cccc(cccn3)c23,0.0
66367,CO-ADD:0247752,-2.69,C(=O)(Nc(cc1)ccc1C(OCCCC)=O)Nc2ccc(c(OC)c2)OC,0.0
66368,CO-ADD:0255007,-2.69,C(=S)(N(CC1)CCO1)c2ccccc2OC(=O)c3ccc(cc3)C,0.0
66369,CO-ADD:0158246,-2.69,O=C(N/N=C(C)/C1=CC(OC)=C(OC)C=C1)C2=CC=CC=C2O,0.0
66370,CO-ADD:0217550,-2.69,n1(c2ccccc2)nc(c(\C=N\NC(COc3c(C)cccc3C)=O)c1Cl)C,0.0
66371,CO-ADD:0217570,-2.69,c(\C=N\NC(COc(cc1)ccc1C(C)C)=O)(cc(OC)c(c2)OC)c2OC,0.0
66372,CO-ADD:0258357,-2.69,c1(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)\C=C\c4ccccc4)n1,0.0
66373,CO-ADD:0258353,-2.69,c12c(n(c(SCC(=O)N(CC3)CCO3)n1)C)C(N(C)C(=O)N2C)=O,0.0
66374,CO-ADD:0259131,-2.69,C(=O)(c1ccc(cc1)Cl)c2ccc(cc2)Sc(cc3)ccc3Cl,0.0
66375,CO-ADD:0257783,-2.69,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(cc3)ccc3N(C)C)\N2,0.0
66376,CO-ADD:0258007,-2.69,c1(Nc2ccccc2)nc(CSc3nnc(c4cccc(Br)c4)o3)nc(N)n1,0.0
66377,CO-ADD:0278880,-2.69,N(C1c2ccc(cc2)F)(c3noc(C(C)(C)C)c3)C(=O)C(=C1C(c4ccccc4)=O)O,0.0
66378,CO-ADD:0283733,-2.69,c1(ncn2Cc3ccccc3)c2c(nc(Cl)n1)N,0.0
66379,CO-ADD:0278879,-2.7,c12c(ccc(OCC(=O)c3ccc(cc3)C)c1C)C4=C(C(=O)O2)CCC4,0.0
66380,CO-ADD:0277536,-2.7,N1(c(ccc(c2s3)nc3SCc(cc4)ccc4C(C)(C)C)c2)C(=O)c(c5C1=O)cccc5,0.0
66381,CO-ADD:0278762,-2.7,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)Cc4cccc(cccc5)c45)n1,0.0
66382,CO-ADD:0284191,-2.7,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o1,0.0
66383,CO-ADD:0284215,-2.7,c12n(c3c(cccc3)n1)cc(c4ccccc4)[nH]2.Cl,0.0
66384,CO-ADD:0217462,-2.7,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(=O)c(ccc(n2)C)c2)c3ccco3,0.0
66385,CO-ADD:0217417,-2.7,c1(cccs1)\C=N\NC(CCCCC(NCC=C)=O)=O,0.0
66386,CO-ADD:0279048,-2.7,c(C(=O)c1ccc(cc1)OC)(sc(c23)nc(cc2c4ccccc4)c5ccccc5)c3N,0.0
66387,CO-ADD:0279088,-2.7,c1(ccc(cc1F)C(C)=O)N(CC2)CCN2,0.0
66388,CO-ADD:0217070,-2.7,C(C(c(cc1)ccc1C(C)C)Nc(cc2)ccc2I)C(=O)c3ccc(cc3)OC,0.0
66389,CO-ADD:0249525,-2.7,n(nnc1C(=O)N\N=C\c2cccc(cccc3)c23)(c1COC)c4nonc4N,0.0
66390,CO-ADD:0249546,-2.7,n12c(nccc1c3ccc(cc3)Br)cc(c4ccccc4)n2,0.0
66391,CO-ADD:0217079,-2.7,c1(\N=C\c2c(cccc2Cl)Cl)sc(c3n1)ccc(cccc4)c34,0.0
66392,CO-ADD:0217067,-2.7,C(=O)(NCc(ccc(c12)OCO1)c2)C(NCCC)=O,0.0
66393,CO-ADD:0249153,-2.7,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(c(Cl)cc(c3[N+](=O)[O-])Cl)c3,0.0
66394,CO-ADD:0254363,-2.7,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3ccccc3F.Cl,0.0
66395,CO-ADD:0255093,-2.7,C(C(=O)c(cc1)ccc1[N+](=O)[O-])(C2c3ccc(cc3)Br)=C(O)C(N2c4ccc(cc4)OC)=O,0.0
66396,CO-ADD:0254940,-2.7,c1(Cl)cc(Cl)ccc1\C=N\NC(CCCCCCCC(=O)N\N=C\c2ccc(cc2Cl)Cl)=O,0.0
66397,CO-ADD:0248965,-2.7,N1(\N=C\c(ccc(c2OC)OCC)c2)C(=O)c3c(NC1(C)c(cccc4[N+](=O)[O-])c4)cccc3,0.0
66398,CO-ADD:0255015,-2.7,C(C(OCC)=O)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
66399,CO-ADD:0252527,-2.7,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c(ccc(c5F)OC)c5)n4.Br,0.0
66400,CO-ADD:0254718,-2.7,N1(c(cccc2C3=Nc4c(ccc(OC(C)=O)c4)C(=O)O3)c2)C(=O)c(c5C1=O)ccc(c5)[N+](=O)[O-],0.0
66401,CO-ADD:0247926,-2.7,c1(C#N)c2c(sc1\N=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3)CCCC2,0.0
66402,CO-ADD:0252807,-2.7,N1(c(cc2)ccc2C(OCC)=O)C(c3ccc(cc3)OCC)Nc(c4C1=O)cccc4,0.0
66403,CO-ADD:0158176,-2.7,N#CC1=C(SCC(OCC)=O)N=C(C2=CC=CS2)C=C1C3=CC=CS3,0.0
66404,CO-ADD:0217295,-2.71,C(C(C)SCc1ccccc1)(=O)N\N=C\c(cc2)ccc2OC\C=C\Cl,0.0
66405,CO-ADD:0217391,-2.71,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3cccs3,0.0
66406,CO-ADD:0217583,-2.71,c1(OC)c(OC)ccc(\C=N\NC(COc(cc2)ccc2OCc3ccccc3)=O)c1OC,0.0
66407,CO-ADD:0258039,-2.71,C(=O)(C(=O)NCc(cc1)ccn1)Nc2cccc(cccc3)c23,0.0
66408,CO-ADD:0257408,-2.71,N(CCc(c12)c3c(cccc3)[nH]1)(C2c4ccc(cc4)Cl)C(=O)c5ccc(cc5Cl)Cl,0.0
66409,CO-ADD:0257536,-2.71,C(=N/O)(/c(ccc(c12)OCO1)c2)\N(CC3)CCO3,0.0
66410,CO-ADD:0278725,-2.71,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)\N=C\c(cc4)ccc4[N+](=O)[O-])n1,0.0
66411,CO-ADD:0283527,-2.71,C(=N/c(ccc(c1F)F)c1)(/N2)\c3c(CC2(C)C)cc(C)c(C)c3,0.0
66412,CO-ADD:0283950,-2.71,c1(nnc(S)n1CC=C)c2c(O)cc(c3c2)cccc3,0.0
66413,CO-ADD:0284863,-2.71,C1(Cl)(Cl)C(C1CC2)CCC3C2C3C(=O)Nc4ccccn4,0.0
66414,CO-ADD:0284735,-2.71,C(C(C#N)C#N)(C#N)(C#N)C(c1ccccc1)C(C)=O,0.0
66415,CO-ADD:0284307,-2.71,N1(C(c2ccccc2)=O)N=C(CC1(C)NNC(c3ccccc3)=O)C,0.0
66416,CO-ADD:0283247,-2.71,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(C(C)C)C(C)C,0.0
66417,CO-ADD:0284208,-2.71,C(C1Cl)(c(cc(Cl)cc2Cl)c23)C(CC1Sc4ccccc4[N+](=O)[O-])C(N3)c(cc5)ccc5[N+](=O)[O-],0.0
66418,CO-ADD:0283680,-2.71,N1(c2ccc(cc2)OCCCC)C(=O)CC(N(CC3)CCS3)C1=O,0.0
66419,CO-ADD:0259170,-2.71,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(c(F)c3)OC)\N2CCO.Br,0.0
66420,CO-ADD:0217425,-2.71,c1(c2ccc(cc2)\C=N\c(cc3)ccc3c4oc(cn4)c5ccccc5)oc(cn1)c6ccccc6,0.0
66421,CO-ADD:0217267,-2.71,C(=O)(N\N=C(/C)\CC(=O)NC1CCCCC1)c2cc(OC)cc(OC)c2,0.0
66422,CO-ADD:0217612,-2.71,c1(\C=N\NC(=O)C(C)Oc(cc2)ccc2Br)c[nH]c(ccc(Br)c3)c13,0.0
66423,CO-ADD:0278432,-2.71,c(C(=O)Nc(cc1)ccc1OCCCC)(c(N)c(c23)cc(c(N)n2)C#N)s3,0.0
66424,CO-ADD:0277418,-2.71,n1c[nH]nc1SCc2ccc(cc2Cl)Cl,0.0
66425,CO-ADD:0278873,-2.71,c1(c2cc(OC)ccc2O)cc([nH]n1)c3ccc(cc3)C,0.0
66426,CO-ADD:0215365,-2.71,C(C(=O)OC(C)C)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3cccc(F)c3,0.0
66427,CO-ADD:0215261,-2.71,C(=O)(Nc1ccc(cn1)C)c2ccc(cc2Cl)Cl,0.0
66428,CO-ADD:0252189,-2.71,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccccc5[N+](=O)[O-],0.0
66429,CO-ADD:0249656,-2.71,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C\c(cc3)ccc3C(OC)=O)\N2c4ccccc4,0.0
66430,CO-ADD:0249638,-2.71,c1(C(F)(F)F)n[nH]c(N=Nc(cc2)ccc2O)n1,0.0
66431,CO-ADD:0249057,-2.71,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CCCC4=O)=C14)c(cc5)ccc5S(N)(=O)=O,0.0
66432,CO-ADD:0249398,-2.71,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc(OC)c(c2)OC)c2Br,0.0
66433,CO-ADD:0249392,-2.72,c1(C(=O)N\N=C\c2cc(Br)ccc2OCc3ccc(cc3Cl)Cl)nonc1N,0.0
66434,CO-ADD:0248936,-2.72,n1c(c2ccc(cc2)CC(C)C)csc1Nc(cc3)ccc3I.Br,0.0
66435,CO-ADD:0248850,-2.72,N1(c2cccc(Br)c2)C(=O)\C(\C=C1c3ccccc3)=C\c(cc4)ccc4Cl,0.0
66436,CO-ADD:0249712,-2.72,C(C#N)(C1c2sccc2C)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
66437,CO-ADD:0254326,-2.72,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
66438,CO-ADD:0254473,-2.72,c1(cc(cc2)N=NNc(cc3)ccc3C)c2C(=O)c(c4C1=O)cccc4,0.0
66439,CO-ADD:0247333,-2.72,N1(c2ccc(c3c2)cccc3)C(=O)c4c(cc(c(Cl)c4)Cl)C1=O,0.0
66440,CO-ADD:0249532,-2.72,C(=C\c(cc1)ccc1OCCCCCC)(/C(c2ccccc2)=NN3c(cc4)ccc4[N+](=O)[O-])\C3=O,0.0
66441,CO-ADD:0158208,-2.72,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1N/N=C/C2=CC=CC=C2OCC3=CC=CC=C3Cl)=O,0.0
66442,CO-ADD:0158245,-2.72,O=C(COC1=CC=C(CCCC)C=C1)N/N=C/C=C/C2=CC=CC=C2,0.0
66443,CO-ADD:0283835,-2.72,c1(SCC(=O)NC(c2ccccc2)c3ccccc3)sc4c(ccc(c4)NC(C5CCCCC5)=O)n1,0.0
66444,CO-ADD:0284579,-2.72,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc3cccc(O)c3,0.0
66445,CO-ADD:0284405,-2.72,n1(nnc(C(=O)N\N=C\c2ccccc2OC)c1CN3CCc(c4C3)cccc4)c5nonc5N,0.0
66446,CO-ADD:0284392,-2.72,C(=O)(Nc1ccccc1C#Cc2ccccc2NC(=O)c3ccccc3F)c4ccccc4F,0.0
66447,CO-ADD:0258842,-2.72,N(=C\c(cc1)ccc1C)/NC(CCCC(=O)NC2CCCCC2)=O,0.0
66448,CO-ADD:0258748,-2.72,c1(cc(OC)ccc1NC(CSc2sc3c(ccc(c3)\N=C\c(ccc(c4[N+](=O)[O-])Sc5nnc(C)s5)c4)n2)=O)[N+](=O)[O-],0.0
66449,CO-ADD:0258844,-2.72,c1(\C=N\NC(CCCC(=O)NC2CCCCC2)=O)cc(OC)ccc1OC,0.0
66450,CO-ADD:0258677,-2.73,c1(c2ccc(cc2)NC(=O)C3CCCN3C(=O)Oc4ccccc4)sc5c(ccc(C)c5)n1,0.0
66451,CO-ADD:0259947,-2.73,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
66452,CO-ADD:0259971,-2.73,C1(O)(c2c(N(C)C1=O)cccc2)C3CCc4c(ccc(OC)c4C)C3=O,0.0
66453,CO-ADD:0216852,-2.73,C(Oc(cc1)ccc1C(=O)Nc2cccc(cccc3)c23)(=S)Nc(cc4)ccc4F,0.0
66454,CO-ADD:0217252,-2.73,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C/NC(N)=S,0.0
66455,CO-ADD:0217468,-2.73,N1(c2ccc(cc2)C)C(=O)C(SC1=O)Br,0.0
66456,CO-ADD:0283995,-2.73,C(C(OCCSCC)=O)(C1c2ccc(cc2)F)=C(C)NC(CC(c3ccc(cc3)Cl)CC4=O)=C14,0.0
66457,CO-ADD:0278515,-2.73,c1(nnc(C)s1)NC(=O)C(CC)OC(=O)\C=C\c(cc2)ccc2[N+](=O)[O-],0.0
66458,CO-ADD:0283188,-2.73,c1(C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(O)=O)c(Cl)c4c(cccc4)s1,0.0
66459,CO-ADD:0215021,-2.73,C(OCC)(=O)c1ccc(cc1)NC(COc(ccc(c2C)C)c2)=O,0.0
66460,CO-ADD:0217765,-2.73,S(=O)(=O)(c1ccc(cc1)NC(=O)c(cccc2[N+](=O)[O-])c2)Nc3nccnc3OC,0.0
66461,CO-ADD:0249567,-2.73,C1(C(=O)Nc2cc(C)ccc2C)C(C(O)=O)C(\C(=C(\C)/C)\C13)C=C3,0.0
66462,CO-ADD:0249161,-2.73,N1(c2ccc(cc2)C#N)C(=O)C3C(C4C5(CC5)C3C=C4)C1=O,0.0
66463,CO-ADD:0217188,-2.73,c(O)(c(Br)c1)c(Br)cc1C(OC)=O,0.0
66464,CO-ADD:0217167,-2.73,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(c(Cl)c2)Cl,0.0
66465,CO-ADD:0249664,-2.73,c1(N2CCC(CC2)C)nc(N\N=C\c(ccc3c4cccc(Cl)c4)o3)nc(Nc5cccc(C)c5C)n1,0.0
66466,CO-ADD:0249228,-2.73,c12c(c3c(NC(c(cc(C(C)(C)C)c(c4C(C)(C)C)O)c4)O1)cccc3)nnc(SCC)n2,0.0
66467,CO-ADD:0249450,-2.73,S(=O)(=O)(c1ccc(c(OC)c1)OC)n2ccnc2C,0.0
66468,CO-ADD:0248277,-2.73,c1(non2)c2nc(Nc3cccc(C)c3C)c(N\N=C\c(ccc4c(cccc5C(O)=O)c5)o4)n1,0.0
66469,CO-ADD:0249783,-2.73,c1(\N=C\c(c(Cl)cc(c2[N+](=O)[O-])Cl)c2)c(c3ccc(c(OCC)c3)O)nc(cccc4)n14,0.0
66470,CO-ADD:0248015,-2.74,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c34)cccc3)c4)sc(c(ccc5[N+](=O)[O-])n1)c5,0.0
66471,CO-ADD:0254664,-2.74,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OC)cc(c5OC)Br,0.0
66472,CO-ADD:0158304,-2.74,CN1C(C)=C(/C=N/O)C2=C1C=CC=C2,0.0
66473,CO-ADD:0158187,-2.74,N#CC1=C(N)OC(CCl)=C(C(OCC)=O)C1C(C=C2)=CC=C2OC,0.0
66474,CO-ADD:0257481,-2.74,C1(C(=O)OCC(Cl)(Cl)Cl)=C(C)NC(NC1c2ccc(c(Cl)c2)Cl)=O,0.0
66475,CO-ADD:0257841,-2.74,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c3cc(OC)ccc3OC)=O,0.0
66476,CO-ADD:0257426,-2.74,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(O)=O)c2cc(C)cc(C)c2,0.0
66477,CO-ADD:0284616,-2.74,N12C(S\C(=C\c(cc3)ccc3OCc4ccccc4)\C1=O)=C(C(c5ccc(cc5)OCc6ccccc6)C(C#N)=C2N)C#N,0.0
66478,CO-ADD:0283031,-2.74,C(C(c1ccccc1)=O)(C2c3ccc(c4c3)OCO4)=C(O)C(N2c5ccccc5)=O,0.0
66479,CO-ADD:0283057,-2.74,C(=O)(N\N=C\c1ccc(cc1OC)OC)C(=O)Nc2ccccc2OC,0.0
66480,CO-ADD:0284017,-2.74,S(=O)(=O)(N1CCCCC1)c2c(C)ccc(c2)C(=O)Nc3nncs3,0.0
66481,CO-ADD:0283411,-2.74,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)N4CCCCC4)cccc3,0.0
66482,CO-ADD:0283692,-2.74,[N+](=O)([O-])c1ccc(cc1)N=NN(O)c2ccccc2,0.0
66483,CO-ADD:0259788,-2.74,N(c1ccc(c2c1)OCCO2)(C(c3ccccc3)C=C4Nc(ccc(c56)OCCO5)c6)C4=O,0.0
66484,CO-ADD:0277611,-2.74,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)Cl)C3c5ccc(c(Cl)c5)Cl,0.0
66485,CO-ADD:0284924,-2.74,c12c(nnc(SCC(OCC)=O)n1)c3c(cccc3)n2CCc4ccccc4,0.0
66486,CO-ADD:0283892,-2.74,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(CSc4sc5c(ccc(OCC)c5)n4)=O)n1,0.0
66487,CO-ADD:0259054,-2.74,n1c(c2ccccc2)csc1\C(\C#N)=C\c(cc3OC)cc(c3OC)OC,0.0
66488,CO-ADD:0278978,-2.74,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cccn3)c3)\N2C4CCCCC4,0.0
66489,CO-ADD:0284139,-2.74,C1(C(OCCOC(C)C)=O)=C(C)NC(NC1c2ccccc2OCCC)=O,0.0
66490,CO-ADD:0283357,-2.74,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C)c1CNCCN(CC)CC.Cl.Cl,0.0
66491,CO-ADD:0283350,-2.74,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(C)c1C,0.0
66492,CO-ADD:0279205,-2.74,N1(C(c2ccccc2)=O)N=C(CC1(O)c3ccc(cc3)Cl)C,0.0
66493,CO-ADD:0215026,-2.74,[C@@]1(CCC(C(C23)CCC(=CC(=O)CC4)[C@@]24C)[C@]1(C)CC3)(O[Si](C)(C)C)C#N,0.0
66494,CO-ADD:0252508,-2.74,c(c1c2cccc1)(cc(n2)c3ccccc3)C(=O)Nc(cc4)ccc4OC,0.0
66495,CO-ADD:0217332,-2.74,c1(c(O)cc(c(Cl)c1C)C)\C=N\c2c(O)ccc(Cl)c2,0.0
66496,CO-ADD:0217569,-2.74,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cccc2OC(=O)c3ccco3)c2)=C\c4cccs4,0.0
66497,CO-ADD:0254338,-2.74,C(=O)(N\N=C/c(cc1)ccc1OCc2ccccc2Cl)c(ccc(c34)OCO3)c4,0.0
66498,CO-ADD:0252489,-2.74,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
66499,CO-ADD:0254717,-2.74,N1(Cc2ccccc2Cl)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
66500,CO-ADD:0254711,-2.74,N1(c2ccccc2C)C(=O)C3C(C4\C(=C(/CCC5)\C5)\C3C=C4)C1=O,0.0
66501,CO-ADD:0254690,-2.74,C(/CC(=O)c1cccs1)(=N\NC(=O)c2ccc(cc2)Cl)\C(F)(F)F,0.0
66502,CO-ADD:0249114,-2.74,c1(ccc(C(=O)Nc(cc2)ccc2Nc3ccccc3)o1)C(c4ccccc4)=O,0.0
66503,CO-ADD:0247371,-2.74,N1\C(=N\N=C\c(ccc(c2OCC)OCc3ccc(cc3Cl)Cl)c2)\SCC1=O,0.0
66504,CO-ADD:0249097,-2.74,c1(SCC(=O)Nc2sccn2)sc3c(ccc(OCC)c3)n1,0.0
66505,CO-ADD:0247352,-2.74,C(=C\c1cc(I)cc(I)c1OCc2ccccc2)(/C3=O)\C(=O)c4c3cccc4,0.0
66506,CO-ADD:0158251,-2.75,[O-][N+](C1=CC=CC(C2=CC=C(/C=N/NC(C3=CC(F)=CC=C3)=O)O2)=C1)=O,0.0
66507,CO-ADD:0158299,-2.75,O=C(O)COC(C=C1)=C(OC)C=C1C([H])=O,0.0
66508,CO-ADD:0158307,-2.75,N#CC1=C(CN2CCN(C3=CC=CC=C3)CC2)N(C)C4=C1C=CC=C4,0.0
66509,CO-ADD:0258010,-2.75,C(=O)(c1ccccc1C(NCCN(CC)CC)=O)c2[nH]ccn2,0.0
66510,CO-ADD:0257834,-2.75,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cccn2c(cc3)ccc3[N+](=O)[O-],0.0
66511,CO-ADD:0257971,-2.75,C(c1ccccc1O)(C2)=Nc(cccc3)c3N=C2C(F)(F)F,0.0
66512,CO-ADD:0257412,-2.75,N1(C(c2ccccc2)CC(\C=C\c3ccccc3)=N1)c4ccc(c5n4)cccc5,0.0
66513,CO-ADD:0257550,-2.75,c1(SCC(=O)Nc(cc2)ccc2Sc(cc3)ccc3NC(CSc4oc(c5n4)cccc5)=O)oc(c6n1)cccc6,0.0
66514,CO-ADD:0257982,-2.75,c1(C(c(cc2)ccc2[N+](=O)[O-])N3CCCCC3)nnnn1c4cccc(Cl)c4,0.0
66515,CO-ADD:0283453,-2.75,N1(C(=O)Cc(cc2)ccc2[N+](=O)[O-])N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
66516,CO-ADD:0278652,-2.75,c1(SC(c2ccccc2)c3ccccc3)sc4c(ccc(c4)NC(C5CCCCC5)=O)n1,0.0
66517,CO-ADD:0278692,-2.75,c1(N(CC)C(C)=O)nnc(CSc2sc(c3n2)cccc3)s1,0.0
66518,CO-ADD:0278708,-2.75,C1(c2ccccc2)=C(C1C(=O)Nc3cccc(C)c3C)c4ccccc4,0.0
66519,CO-ADD:0277508,-2.75,c12c(n(c(SCC(=O)N3CCCCC3)n1)C)C(N(C)C(=O)N2C)=O,0.0
66520,CO-ADD:0277804,-2.75,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)Nc5c(C)cccc5C,0.0
66521,CO-ADD:0259441,-2.75,N(C(=O)c1ccco1)(C(C(CCCCC(OCC)=O)=O)=C(N2C(=O)c3ccco3)C)C2=O,0.0
66522,CO-ADD:0258310,-2.75,c1(C(O)=O)cc(ccc1NC(=O)c2ccc(cc2)F)c(ccc(c3C(O)=O)NC(=O)c4ccc(cc4)F)c3,0.0
66523,CO-ADD:0258320,-2.75,C(=O)(Nc(cc1)ccc1Nc2ccccc2)c3ccccc3C(O)=O,0.0
66524,CO-ADD:0258354,-2.75,c1(SC)nccn1CC(=O)Nc2ccccc2,0.0
66525,CO-ADD:0278949,-2.75,C12(N(CC3)CCO3)C(CCCC1)=Cc(c(ccc4[N+](=O)[O-])O2)c4,0.0
66526,CO-ADD:0217476,-2.75,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(ccc(c4Br)OC)c4,0.0
66527,CO-ADD:0284110,-2.75,C(=O)(Nc(cc1)ccc1OCC)CCN(CC2)CCN2CCC(=O)Nc(cc3)ccc3OCC,0.0
66528,CO-ADD:0216837,-2.75,S(=O)(=O)(c1ccc(cc1)C)NC(Cc2ccccc2)C(=O)N\N=C\c(cc3)ccc3[N+](=O)[O-],0.0
66529,CO-ADD:0284136,-2.75,C1(C(OCCOCC)=O)=C(C)NC(NC1c2cccc(OC)c2)=O,0.0
66530,CO-ADD:0215179,-2.75,[N+](=O)([O-])c1ccc(cc1)NC(OCCCC)=O,0.0
66531,CO-ADD:0215654,-2.75,N1(c2ccccc2)CC(CC1=O)C(=O)N\N=C\c(cc3)ccc3C,0.0
66532,CO-ADD:0215246,-2.75,c(sc(c1C(F)(F)F)c2ccccc2)(N(c3ccccc3OC)C(=O)c4ccc(cc4)Cl)n1,0.0
66533,CO-ADD:0255039,-2.76,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(ccc(c3OC)OCC(O)=O)c3,0.0
66534,CO-ADD:0254308,-2.76,c(CC(NC(OCc1ccccc1)=O)C(=O)Nc2ccc(cc2C)C)(c3c([nH]4)cccc3)c4,0.0
66535,CO-ADD:0254370,-2.76,c1(\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c[nH]c(ccc(Br)c3)c13,0.0
66536,CO-ADD:0249336,-2.76,n1(c2ccccc2)c(SCC(NCCOc3ccccc3)=O)nnc1c4cccc(OC)c4,0.0
66537,CO-ADD:0254533,-2.76,n1(c2ccccc2)c(SCC(=O)Nc3ccccc3C(OC)=O)nnc1c4ccccc4,0.0
66538,CO-ADD:0254760,-2.76,C1(C(OCC)=O)=C(C)NC(NC1c(ccc(c2[N+](=O)[O-])N(C)C)c2)=O,0.0
66539,CO-ADD:0254719,-2.76,c(CC(NC(OCc1ccccc1)=O)C(=O)Nc2c(C)cccc2C)(c3c([nH]4)cccc3)c4,0.0
66540,CO-ADD:0255049,-2.76,n1c(c(cc2)ccc2[N+](=O)[O-])csc1Nc(cc3)ccc3Oc4ccccc4.Br,0.0
66541,CO-ADD:0249038,-2.76,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(c(OC)c4)OC,0.0
66542,CO-ADD:0249433,-2.76,C(C(OCC)=O)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
66543,CO-ADD:0255021,-2.76,C1(c2ccc(cc2C)C)=C\C(\C(=O)O1)=C\c3ccccc3OC,0.0
66544,CO-ADD:0248872,-2.76,N1(c(ccc(c2C3=O)C(N3c4ccccc4)=O)c2)C(=O)c(c(c5)C1=O)cc(c5C(N6c(ccc(c7C8=O)C(N8c9ccccc9)=O)c7)=O)C6=O,0.0
66545,CO-ADD:0247594,-2.76,N1(C(c2ccc(c(OC)c2)OC)CC(c3ccc(cc3)Cl)=N1)c4scc(c(ccc(c5F)OC)c5)n4.Br,0.0
66546,CO-ADD:0249131,-2.76,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
66547,CO-ADD:0249794,-2.76,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(cc4)ccc4OCc5ccc(cc5Cl)Cl)nc(Nc(cc6)ccc6C)n1,0.0
66548,CO-ADD:0157964,-2.76,IC1=CC(I)=CC(/C=N/C2=C(C3=CC=CO3)N=C4C=CC(Cl)=CN24)=C1O,0.0
66549,CO-ADD:0158172,-2.76,N#CC(C(C1=CC=CS1)=C2)=C(SC/C=C/C3=CC=CC=C3)N=C2C4=CC=CS4,0.0
66550,CO-ADD:0284809,-2.76,C1(COc(c2O1)cccc2)C(=O)Nc(cc3)ccc3OC,0.0
66551,CO-ADD:0284825,-2.76,C1(C2c3cccc(OC)c3)=C(NCCN=C1c4ccc(cc4)Cl)C(N2c5ccccc5)=O,0.0
66552,CO-ADD:0284729,-2.76,n1c(c2ccc(cc2)Br)csc1N\N=C\c3ccccc3OCCCCCCC.Br,0.0
66553,CO-ADD:0284820,-2.76,N(c1ccc(cc1)Br)(C(c(ccc(c23)OCO2)c3)C=C4Nc(cc5)ccc5Br)C4=O,0.0
66554,CO-ADD:0257870,-2.76,C(=C\c(cc1OC)cc(c1O)OC)(/C(=O)NN2c3ccc(cc3)Cl)\C2=O,0.0
66555,CO-ADD:0259011,-2.76,c1(\C=N\CCSCCCCCCCCCCCCCCCCCC)cc2c(cc1O)cccc2,0.0
66556,CO-ADD:0259020,-2.76,C(C#N)(=C(C)C(Cl)=C(N1)O)C1=O,0.0
66557,CO-ADD:0259188,-2.76,S1C(=S)N(C(C)(C)C1\[N+](\[O-])=C\c(cccc2[N+](=O)[O-])c2)C,0.0
66558,CO-ADD:0284250,-2.76,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2C)C)n(c(c3)c1S(CCC)(=O)=O)ccn3,0.0
66559,CO-ADD:0259447,-2.76,n1(CC(O)=O)c(c2ccc(cc2)Br)cc3c1CC(C)(C)CC3=O,0.0
66560,CO-ADD:0258091,-2.76,C(/C#N)(\C(OCC)=O)=C/c(ccc1c2cccc(Cl)c2Cl)o1,0.0
66561,CO-ADD:0277803,-2.77,C(CC(c1ccccc1)CC2=O)(Nc3cccc(Cl)c3)=C2,0.0
66562,CO-ADD:0283401,-2.77,c(C(OCC)=O)(c(cc(O)c(c1)Br)c1n2Cc3ccccc3)c2CN(CC4)CCN4CC#N,0.0
66563,CO-ADD:0259928,-2.77,N1(c2ccccc2)C(=O)\C(=C\c(cc3)ccc3C(OC)=O)\C(NC1=S)=O,0.0
66564,CO-ADD:0278258,-2.77,n1(c2c(n3)cccc2)c3S\C(=C/c4cc(Cl)ccc4OCc5c(cccc5F)Cl)\C1=O,0.0
66565,CO-ADD:0287853,-2.77,N1(c2ccc(c3c2)OCO3)C(=O)\C(\SC1=N)=C\c4cccc(F)c4,0.0
66566,CO-ADD:0287189,-2.77,c1(OC(N)=C(C2c3cc(OC)ccc3OC)C#N)c2c(nn1c4ccc(cc4)C)C,0.0
66567,CO-ADD:0288536,-2.77,c1(C(C2)CC2)n(CCN)c(cn1)C.Cl.Cl,0.0
66568,CO-ADD:0289097,-2.77,c(C(=O)Nc1ccc(F)cc1F)(nnc2C(OCC)=O)s2,0.0
66569,CO-ADD:0290751,-2.77,C1(C(NCCc2ccccc2)=O)=Cc3c(OC1=O)ccc(OC)c3,0.0
66570,CO-ADD:0289085,-2.77,S(=O)(=O)(N1CCC(CC1)C(C)C(O)=O)c2ccc(Br)s2,0.0
66571,CO-ADD:0289038,-2.77,c(c1)(C(CC(=O)O)c2c(cccc2)F)cccc1,0.0
66572,CO-ADD:0288911,-2.77,C(OC(C)(C)C)(N(C1)CC(Cn2c(C)ncc2C)CC1)=O,0.0
66573,CO-ADD:0300016,-2.77,n1(c2ccc(cc2)F)nnnc1SCC(N)=O,0.0
66574,CO-ADD:0300034,-2.77,C1(C#N)=C(SCc2cccc(cccc3)c23)NC(=O)CC1c4ccccc4OCC,0.0
66575,CO-ADD:0286403,-2.77,C(=O)(N(CC1)CCN1C(c2ccccc2)c3ccccc3)C(O)(c4ccccc4)c5ccccc5,0.0
66576,CO-ADD:0291846,-2.77,n1c(c2cccc(O)c2)[nH]c(c3ccccc3)c1c(cc4)ccc4c(cc5)ccc5[N+](=O)[O-],0.0
66577,CO-ADD:0285869,-2.77,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Cl)=C(O)C(N2CCCn(ccn4)c4)=O,0.0
66578,CO-ADD:0284983,-2.77,C(=N/c(cc1)ccc1OCC)(/SC=C2c3ccccc3)\N2CCO.Br,0.0
66579,CO-ADD:0284945,-2.77,N1(c2ccc(cc2OC)OC)C(=O)c3c(cc(cc3)C)C1=O,0.0
66580,CO-ADD:0285233,-2.77,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1N(CCNc(cc2)c(Cl)cc2[N+](=O)[O-])CC(C)O,0.0
66581,CO-ADD:0285625,-2.77,c12c(CCCC1C(O)=O)c3c(ccc(Cl)c3)[nH]2,0.0
66582,CO-ADD:0286309,-2.77,C(=C/C(=O)c1ccc(cc1)OC)(/Sc2c(N3)ccc(OC)c2)\C3=O,0.0
66583,CO-ADD:0286720,-2.77,N1(c2ccccc2)C(=O)C(SC1c3ccc(cc3)Br)C,0.0
66584,CO-ADD:0286376,-2.77,c1(C#N)c(SCC2CCCCC2=O)nc(cc1C(F)(F)F)c3cccs3,0.0
66585,CO-ADD:0286402,-2.77,c(cc(cc1)NC(=O)c2cccc(c2)C#CC3(CCCCC3)O)(Cc(c45)cccc4)c15,0.0
66586,CO-ADD:0299322,-2.77,c1(OC(N)=C(C2c3cccc(O)c3)C#N)c2c(n[nH]1)C,0.0
66587,CO-ADD:0291487,-2.77,n12c(cc(C(NCCCN(CC3)CCO3)=O)n1)nc4c(CCc(cccc5)c45)c2C(F)(F)F,0.0
66588,CO-ADD:0291226,-2.77,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3C(O)=O,0.0
66589,CO-ADD:0290745,-2.77,S(=O)(=O)(Oc1cccc(ccc(C)n2)c12)c3ccc(c(C)c3Cl)Cl,0.0
66590,CO-ADD:0285686,-2.77,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(CCl)=O)F,0.0
66591,CO-ADD:0285351,-2.77,C12=C(C=C(C#N)C(=N)N1CCCC)C(N3C(C=CC(=C3)C)=N2)=O,0.0
66592,CO-ADD:0295946,-2.77,c(OC(C(F)(F)F)C(F)(F)F)(nc(Nc(cccn1)c1)nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
66593,CO-ADD:0295715,-2.77,C(C(F)(F)F)(C(F)(F)F)(NC(OC)=O)Nc1sc(c(CC)c1C#N)C,0.0
66594,CO-ADD:0294564,-2.77,C1(C(=O)\C=C\c(cc2)ccc2OC)=C(c3ccccc3)c4c(ccc(Br)c4)NC1=O,0.0
66595,CO-ADD:0292733,-2.77,N(C(C)=O)(c1c2cccc1)CC(C)C(N2)=O,0.0
66597,CO-ADD:0295702,-2.77,C(F)(F)(F)c(ccc(c1NC(CSc2ccccn2)=O)Cl)c1,0.0
66598,CO-ADD:0257518,-2.77,c1(NC(=O)CCSC(C)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc2ccccc2,0.0
66599,CO-ADD:0258692,-2.77,n12c(S\C(=C/c3ccc(cc3OC)OC)\C1=O)nnc2c4ccc(cc4)C,0.0
66600,CO-ADD:0278632,-2.78,c1(NC(CSCc2ccccc2)=O)nnc(CSCc3ccccc3)s1,0.0
66601,CO-ADD:0278553,-2.78,n1(nc(s2)SCC(=O)Nc3nnc(SC)s3)c2nnc1SCC(=O)Nc4nnc(SC)s4,0.0
66602,CO-ADD:0278280,-2.78,[N+](=O)([O-])c1c(NCCOc2cccc(cccn3)c23)ccc(c1)C(F)(F)F,0.0
66603,CO-ADD:0277673,-2.78,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2C(=O)c3cc(F)c(cc3Cl)F,0.0
66604,CO-ADD:0291334,-2.78,N12C(S\C(=C\c3cccc(O)c3)\C1=O)=NC(c4ccc(c(OC)c4)O)C(C(OCC)=O)=C2C,0.0
66605,CO-ADD:0285786,-2.78,C(=O)(N(CC1)CCN1Cc2ccccc2)c3ccccc3NC(=O)C(C)Oc4cccc(Cl)c4,0.0
66606,CO-ADD:0285348,-2.78,c1(NC(=O)CN2CCCCC2)nnc(SCC(=O)Nc3cccc(C)c3)s1,0.0
66607,CO-ADD:0285100,-2.78,C1(c2cccc(OC)c2)(c3cccc(OC)c3)CC1C(=O)Nc(ccc(c4C)C)c4,0.0
66608,CO-ADD:0288569,-2.78,C1C(c2ncc(C)n2CCOC)CN(C1)C(OC(C)(C)C)=O,0.0
66609,CO-ADD:0289199,-2.78,C(=O)(c1ccc(cc1)OCC(CCCN2)C2)NC(C)C.Cl,0.0
66610,CO-ADD:0288586,-2.78,C(N(CC1Cc2n(c(cn2)C)CCOC)CCC1)(=O)OC(C)(C)C,0.0
66611,CO-ADD:0288622,-2.78,C(=O)(OC(C)(C)C)N(CCC1n2c(C)cnc2C3CCOCC3)CC1,0.0
66612,CO-ADD:0285701,-2.78,N(=Nc(cccc1C(O)=O)c1)N2CCCCCC2,0.0
66613,CO-ADD:0288538,-2.78,n(CCC(CC1)CCN1)(c(C)cn2)c2C.Cl.Cl,0.0
66614,CO-ADD:0285088,-2.78,n(n(Cc1ccccc1Cl)nn2)c2c3ccc(cc3)F,0.0
66615,CO-ADD:0286153,-2.78,c12c(n(c(SCC(=O)Nc(ccc(c3C)C)c3)n1)C)C(N(C)C(=O)N2C)=O,0.0
66616,CO-ADD:0286451,-2.78,c(C#N)(c(SCC(=O)c1ccc(c(O)c1)O)nc(c2C#N)N)c2c3cccc(Cl)c3,0.0
66617,CO-ADD:0285723,-2.78,C12=C(c3c(cccc3)CC1(CC)C4CCCCC4)N=C(SCC(C)=C)NC2=O,0.0
66618,CO-ADD:0285755,-2.78,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
66619,CO-ADD:0285825,-2.78,C1(C(c2ccccc2)Oc(c(ccc3[N+](=O)[O-])N1)c3)(C=C4C(C)(C)C)C=C(C4=O)C(C)(C)C,0.0
66620,CO-ADD:0288568,-2.78,C1C(c2ncc(C)n2Cc3ccccc3)CN(C1)C(OC(C)(C)C)=O,0.0
66621,CO-ADD:0288502,-2.78,C(O)(CC(CCO1)CC1)=O,0.0
66622,CO-ADD:0299483,-2.78,N1(c(cccc2C(F)(F)F)c2)C(c3ccc(cc3)Br)CC(c4ccc(cc4)Br)=N1,0.0
66623,CO-ADD:0299249,-2.78,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCCCc3ccccc3,0.0
66624,CO-ADD:0285534,-2.78,C1(C(C(C)=O)CC(Cl)(Cl)Cl)C(=O)CC(CC1=O)(C)C,0.0
66625,CO-ADD:0293614,-2.78,P(c1ccccc1)(c2ccccc2)(=O)C(CC)C(OCC)=O,0.0
66626,CO-ADD:0294299,-2.78,c1(S(CCCCCCCC)(=O)=O)c(N)c(c2s1)cc(c3n2)CCCC3,0.0
66627,CO-ADD:0294293,-2.78,c1(c(C)nc2n1ccs2)c3csc(Nc4ccccn4)n3.Br,0.0
66628,CO-ADD:0294743,-2.78,N(C1c2ccc(cc2OC)OC)(C(=O)C(=C1C(C)=O)O)c3sc(c4n3)cccc4,0.0
66629,CO-ADD:0295204,-2.78,C12(C=Cc(c(ccc3[N+](=O)[O-])O1)c3)C(C)(C)c(c4N2CC(=O)NCc5ccccc5)cccc4,0.0
66630,CO-ADD:0294359,-2.78,N1(c(ccc(c2C(OCCC)=O)Cl)c2)C(=O)c3c(c4C1=O)c(ccc3)cc(Br)c4,0.0
66631,CO-ADD:0295678,-2.78,C1(C(C)=O)=C(Nc(cc2)ccc2OC)CC(C)(O)C(C(C)=O)C1c(cc3)ccc3[N+](=O)[O-],0.0
66632,CO-ADD:0296125,-2.78,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)N(CC3)CCO3)n1C,0.0
66633,CO-ADD:0292506,-2.78,C1(C(=O)OC2CCCCCCC2)=C(C)NC(=O)CC1c3ccc(c(Cl)c3)Cl,0.0
66634,CO-ADD:0292750,-2.79,N1(C2c3c(cccc3)Oc(cccc4)c24)N=C(N(C)C1=S)COc5ccccc5,0.0
66635,CO-ADD:0293691,-2.79,C(C#N)(C(CC(N1)=O)c2ccc(c(OC)c2)OCc3ccccc3)=C1SCc4cccc(cccc5)c45,0.0
66636,CO-ADD:0293685,-2.79,C1(c2ccccc2)(c3ccccc3)C(C1C(N4c5ccc(cc5)Cl)=O)C4=O,0.0
66637,CO-ADD:0258629,-2.79,n1(c2ccc(cc2)I)c(C)c(cc1C)\C=N\NC(=O)c(cccc3n4c(C)ccc4C)c3,0.0
66638,CO-ADD:0257593,-2.79,C(/SC=C1c2ccccc2)(=N/c3ccccn3)\N1c4ccccc4,0.0
66639,CO-ADD:0257587,-2.79,N1(c2ccccc2)C(=O)\C(\SC1=S)=C\c3c(C)cc(cc3C)C,0.0
66640,CO-ADD:0258900,-2.79,n(c1c2cccc1)c(SCc3ccccc3F)c(n2)SCc4ccccc4F,0.0
66641,CO-ADD:0278497,-2.79,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2cccc(cccc3)c23,0.0
66642,CO-ADD:0287604,-2.79,C(C#N)(C(c1ccc(cc1)Cl)C2=C(N3c4ccc(cc4OC)OC)CC(C)(C)CC2=O)=C3N,0.0
66643,CO-ADD:0286000,-2.79,O=C(NN)C1=CC=NC=C1,0.0
66644,CO-ADD:0299339,-2.79,n12c(S\C(=C/c3ccccc3)\C1=O)nc(cc(Br)cn4)c24,0.0
66645,CO-ADD:0299395,-2.79,N1(c2ccc(cc2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4,0.0
66646,CO-ADD:0288549,-2.79,c1(c(cccn2)c2)ncc(C)n1CC(CCN3)C3.Cl.Cl,0.0
66647,CO-ADD:0291338,-2.79,C1(S2)(SC(=C2C(OCC)=O)C(OCC)=O)C(C(OCC)=O)=C(C(OCC)=O)SC(C(N3C(CC)=O)(C)C)=C1c(cc(C)cc4)c34,0.0
66648,CO-ADD:0286255,-2.79,C(=N\c(cccc1C(F)(F)F)c1)(/SC(C(O)=O)CC2=O)\N2C,0.0
66649,CO-ADD:0286186,-2.79,N1(c2ccc(cc2)C#N)C(=O)C(C3C1=O)C(C=C4)\C(\C34)=C(\C)/C,0.0
66650,CO-ADD:0287757,-2.79,c1(NC(=O)c2cc(ccc2N(CC3)CCC3C(OCC)=O)[N+](=O)[O-])sc(c4c1C(OCC)=O)CCCC4,0.0
66651,CO-ADD:0284943,-2.79,N1C(=O)\C(\SC1=N)=C/c2ccccc2OCc3ccccc3F,0.0
66652,CO-ADD:0299526,-2.79,n(c1c(CCCCC1)cc2C#N)c2SCC(=O)Nc3ccccc3F,0.0
66653,CO-ADD:0299793,-2.79,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c3ccco3)\C1=O)=O,0.0
66654,CO-ADD:0286933,-2.79,c1(nn(cn1)C\C(\C)=N\NC(=O)c2cc(n(C)n2)Cl)[N+](=O)[O-],0.0
66655,CO-ADD:0285735,-2.79,[N+](=O)([O-])c1cc(cc2c1C=Cc3c(ccc(Cl)c3)O2)[N+](=O)[O-],0.0
66656,CO-ADD:0294825,-2.79,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCOCCO,0.0
66657,CO-ADD:0293615,-2.79,P(c1ccccc1)(c2ccccc2)(=O)CN(c3ccccc3)CCc4ccccc4,0.0
66658,CO-ADD:0294397,-2.79,c1(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3nc(C(N)=O)c1Cl,0.0
66659,CO-ADD:0294830,-2.79,c(CNC(=O)c1cccc(OC)c1)(c2)c(C)n(n2)C,0.0
66660,CO-ADD:0294092,-2.79,C(C(c1ccccc1)=O)(C2c3cc(OC)ccc3OC)=C(O)C(N2c4ccc(cc4)F)=O,0.0
66661,CO-ADD:0294363,-2.79,c1(sc2c(ccc(C)c2)n1)NC(=O)c3c(Cl)ccc(c3)[N+](=O)[O-],0.0
66662,CO-ADD:0295027,-2.79,c(C(=O)Nc1cccc(C)c1C)(c2N)sc3c2cc(c4n3)CCCC4,0.0
66663,CO-ADD:0295654,-2.8,c1(n2)c(c3c(CCCC3)s1)c(nc2c4c(OCC)ccc(cccc5)c45)O,0.0
66664,CO-ADD:0293736,-2.8,C(=O)(N(CC1)CCN1c2ccccc2OC)C(=O)N\N=C\c(ccc(c3OC)OC)c3,0.0
66665,CO-ADD:0295131,-2.8,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(=O)Nc3c(cccc3Cl)Cl)c4ccccc4,0.0
66666,CO-ADD:0292793,-2.8,N(\C(=C/c(cc1)ccc1OC(=O)c(cccc2[N+](=O)[O-])c2)\C(O3)=O)=C3c(cc4)ccc4C(C)(C)C,0.0
66667,CO-ADD:0294771,-2.8,N1(c2ccc(cc2)Br)C(=O)C3C(C4C(C5C3C=C4)C(C5C6=O)C(N6c7ccc(cc7)Br)=O)C1=O,0.0
66668,CO-ADD:0285197,-2.8,n(c1c2ccc(cc2)Cl)n(c3ccccc3)cc1\C=C(\C(=O)NCc4ccccn4)/NC(=O)c5ccc(cc5Cl)Cl,0.0
66669,CO-ADD:0290482,-2.8,C(/S(CCCCCCCC)(=O)=O)(\S(CCCCCCCC)(=O)=O)=C(\Nc1ccccc1)/Nc2ccccc2,0.0
66670,CO-ADD:0290490,-2.8,c1(S(CCC)(=O)=O)c(C(OC)=O)n(c2c1S(CCC)(=O)=O)ccc(c(cc3)ccn3)c2,0.0
66671,CO-ADD:0291996,-2.8,N1(C2c3ccc(cc3)C)C(S\C(=C/c(ccc4c(cccc5C(OCC)=O)c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
66672,CO-ADD:0290694,-2.8,[N+](=O)([O-])c1ccccc1C2OCOCC2NC(=O)C(Cl)Cl,0.0
66673,CO-ADD:0291942,-2.8,N1(C2c3ccccc3Cl)C(S\C(=C/c(cc(n4c5ccc(c(Cl)c5)Cl)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
66674,CO-ADD:0278144,-2.8,C(C(=O)Nc1ccccc1Cl)(NC2=O)=CC(N2)=O,0.0
66675,CO-ADD:0258686,-2.8,c(OC(=O)C=C1C)(c2C)c1cc(c(co3)C)c23,0.0
66676,CO-ADD:0258790,-2.8,C1(C(OCCCl)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCc3ccccc3,0.0
66677,CO-ADD:0259511,-2.8,N1C2(CCCCC2C)NN(c3ccccc3)C1=S,0.0
66678,CO-ADD:0259199,-2.8,C(C#N)(C1c2ccc(cc2)C)=C(N)OC(CCCC3=O)=C13,0.0
66679,CO-ADD:0258823,-2.8,S(C1=S)C2=C(S1)SCCCS2,0.0
66680,CO-ADD:0293759,-2.8,c12c(c3c(cccc3)c(cccc4)c14)nc(ccc(OC)c5)c5n2,0.0
66681,CO-ADD:0295784,-2.8,c1(NC(COc(cc2)ccc2CCC)=O)sc(c3c1C(OC)=O)CCCCC3,0.0
66682,CO-ADD:0295375,-2.8,n(Cc1cccc(cccc2)c12)(c3c(c4C=O)cccc3)c4C,0.0
66683,CO-ADD:0294045,-2.8,c1(NC(COc2cccc(Br)c2)=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
66684,CO-ADD:0292389,-2.8,S(=O)(=O)(c1ccc(cc1)NC(=O)c(ccc(c2[N+](=O)[O-])SCC)c2)N3CCCCC3C,0.0
66685,CO-ADD:0293992,-2.8,S(=O)(=O)(CCc1sc(c2n1)cccc2)c3ccc(cc3)Cl,0.0
66686,CO-ADD:0283334,-2.8,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c(c3c([nH]4)cccc3)c4)NC(c5ccccc5)=O,0.0
66687,CO-ADD:0283771,-2.8,c1(c(Cl)c(C)cc(F)c1F)C(=O)n(ccn2)c2,0.0
66688,CO-ADD:0259828,-2.8,C1(C(=O)OC2CCCCCC2)=C(C)NC(NC1c3cccc(c3)OCc4ccccc4)=O,0.0
66689,CO-ADD:0260212,-2.8,n12c(nc(cc1C(F)(F)F)c3ccccc3)cc(C(=O)NNC(=O)c4ccc(cc4)Cl)n2,0.0
66690,CO-ADD:0283781,-2.81,n12c(ccc(cccc3)c13)nnc2c(ccc(c45)OCO4)c5,0.0
66691,CO-ADD:0283109,-2.81,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)OC)CC(=O)N\N=C(/C)\c3ccc(cc3)OCC,0.0
66692,CO-ADD:0288928,-2.81,n12c(cc(C)n1)c3c(Oc(cccn4)c24)ccc(Cl)c3,0.0
66693,CO-ADD:0299358,-2.81,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3F)C)c3,0.0
66694,CO-ADD:0299390,-2.81,c1(C2c3cccc(I)c3)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
66695,CO-ADD:0288619,-2.81,C(OC(C)(C)C)(N(CC1Cn2c(C)cnc2C(CCO3)CC3)C1)=O,0.0
66696,CO-ADD:0288932,-2.81,n12c(cc(CC)n1)c3c(Oc(cc(Br)cn4)c24)cccc3,0.0
66697,CO-ADD:0299839,-2.81,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(cc3)ccc3N(CC)CC)\C1=O)=O,0.0
66698,CO-ADD:0299879,-2.81,N(C(C)c1ccc(cc1)Br)C(CCl)=O,0.0
66699,CO-ADD:0288974,-2.81,S1(=O)(=O)c2c(ccc(Cl)c2)Oc3c(ccc(c3)[N+](=O)[O-])N1C,0.0
66700,CO-ADD:0288775,-2.81,C(CC1)(CC2N)(OCC2)CCN1C(c3oc([N+](=O)[O-])cc3)=O.Cl,0.0
66701,CO-ADD:0299622,-2.81,c1(ccc(o1)C#CC(C)(C)O)C(=O)N(CC2)CCN2c3ccc(c(Cl)c3)Cl,0.0
66702,CO-ADD:0299719,-2.81,[N+](=O)([O-])c1ccc(cc1NC(c2ccccc2)c3ccccc3)N(CC4)CCO4,0.0
66703,CO-ADD:0291710,-2.81,s1c(CCC(CCc2nnc(N)s2)(CCc3nnc(N)s3)C(c4ccccc4)=O)nnc1N,0.0
66704,CO-ADD:0284957,-2.81,N1(c2ccc(c(Cl)c2)F)C(c3ccc(cc3)OCC)Nc(c4C1=O)cccc4,0.0
66705,CO-ADD:0285791,-2.81,C(=O)(N(CC1)CCN1C)c2ccccc2NC(=O)C(C)Oc3cccc(Cl)c3,0.0
66706,CO-ADD:0291813,-2.81,N1(CCN(CC2)CCN2c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)c4c(c5C1=O)c(ccc4)ccc5,0.0
66707,CO-ADD:0286729,-2.81,C(/N(C)C(N1C)=S)(\C1=O)=C(/S\C(\C2=O)=C(/Sc(c34)ccc(OC)c3)\N4C)\N2Cc5ccccc5,0.0
66708,CO-ADD:0286658,-2.81,N1(c2c(OC)ccc(C(C)=O)c2)C(=O)C(C3C1=O)C(C=C4)\C(\C34)=C(\c5ccccc5)/c6ccccc6,0.0
66709,CO-ADD:0286676,-2.81,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCCC2)C(=O)N4CCCCC4,0.0
66710,CO-ADD:0287988,-2.81,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(O)c3)OC,0.0
66711,CO-ADD:0294073,-2.81,C(=O)(C(CCCCC)(CCCCC)O)Nc1ccccn1.Cl,0.0
66712,CO-ADD:0295477,-2.81,c1(NC(Cc(cc2)ccc2OC)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3cccc(Cl)c3C,0.0
66713,CO-ADD:0293651,-2.81,c1(Cl)c(Cl)ccc(NN)c1.Cl,0.0
66714,CO-ADD:0294298,-2.81,c1(C#N)c(SCC(=O)N2CCCCC2)nc(cc1C(F)(F)F)c3cccs3,0.0
66715,CO-ADD:0295209,-2.81,c1(SCC(=O)c2cccs2)[nH]c(c3n1)cccc3,0.0
66716,CO-ADD:0293628,-2.81,C(C#N)(C1c2ccc(cc2)Cl)=C(SCc3ccccc3)NC(CCCC4=O)=C14,0.0
66717,CO-ADD:0295005,-2.81,c1(nonc1N)\C(\N)=N\c(cc2)ccc2N,0.0
66718,CO-ADD:0294950,-2.81,c1(cc(ccc1N2CCNC(C)C2)C(F)(F)F)[N+](=O)[O-],0.0
66719,CO-ADD:0293332,-2.81,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(=O)Nc(ccc(c2Cl)C)c2)C1c3ccc(cc3)Cl,0.0
66720,CO-ADD:0293194,-2.81,C(CCC(C1)C(C)(C)C)(\N=C\c2ccccc2O)(Oc(cccc3)c3C4\N=C\c5ccccc5O)C14,0.0
66721,CO-ADD:0294841,-2.81,c1(O2)c(cc(OC(=O)c3ccc(cc3)Cl)cc1c(cc4)ccc4[N+](=O)[O-])SC2=S,0.0
66722,CO-ADD:0292611,-2.81,N1(c2ccc(cc2)Br)C(=O)\C(\C(C)=N1)=C/Nc(c(OC)c3)cc(c3[N+](=O)[O-])Cl,0.0
66723,CO-ADD:0287991,-2.81,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(=C3C1c4cc(OC)c(cc4OC)OC)CCCC3=O,0.0
66724,CO-ADD:0288055,-2.81,C(=C\c(ccc(c12)OCO1)c2)(/NC(=O)c3cccs3)\C(=O)N(CC4)CCN4C(OCC)=O,0.0
66725,CO-ADD:0287720,-2.81,N1(Cc2ccccc2)\C(=N/c(cc3)ccc3Cl)\SC(C(=O)N(CC4)CCN4c(cc5)ccc5[N+](=O)[O-])CC1=O,0.0
66726,CO-ADD:0287747,-2.82,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C/c(ccc3c4ccccc4C(O)=O)o3)\C1=O)C,0.0
66727,CO-ADD:0287472,-2.82,n(c1ccc(cc1)I)(c2C)c(C)cc2\C=N\c(cc3)ccc3C(OC)=O,0.0
66728,CO-ADD:0287153,-2.82,C(C(=O)NCc1ccccc1)(=C2)C(=O)NC(C)=C2\C(\C)=N/Cc3ccccc3,0.0
66729,CO-ADD:0277916,-2.82,S(CCc(cc1)ccn1)(=O)(=O)c2ccc(cc2)OC.Cl,0.0
66730,CO-ADD:0277693,-2.82,n1c2c([nH]c1c3ccc(cc3)NC(=O)c(ccc(c4[N+](=O)[O-])C)c4)cc5c(cccc5)c2,0.0
66731,CO-ADD:0277886,-2.82,N1(CCN2C(C)(O)C3(OC2=O)CCCCC3)C(C)(O)C4(OC1=O)CCCCC4,0.0
66732,CO-ADD:0277829,-2.82,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc(OC)c(c3Br)O)c3Br)\N2C4CCCC4,0.0
66733,CO-ADD:0259574,-2.82,c1(SCC(=O)NC2CC2)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
66734,CO-ADD:0259630,-2.82,P(c1ccccc1)(c2ccccc2)(=S)C3(CCCC3)C#N,0.0
66735,CO-ADD:0293336,-2.82,C(=C(C)NC(=C1C#N)SCC(=O)Nc2ccccc2C)(C(=O)Nc3ccccc3OC)C1c4ccccc4Cl,0.0
66736,CO-ADD:0292273,-2.82,C1(NC(CSc2nnnn2c(cc3)ccc3C(O)=O)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
66737,CO-ADD:0293290,-2.82,C12=C(CCCC1=O)c3c(ccc4c3cccn4)NC2c5ccc(c(OC)c5)OC,0.0
66738,CO-ADD:0292369,-2.82,C1(CC2)(CCC2C(C)(C)C)Sc(c3N1)cccc3,0.0
66739,CO-ADD:0293343,-2.82,N12C(SCC1(O)c3ccccc3)=C(C(c4cccs4)CC2=O)C#N,0.0
66740,CO-ADD:0292865,-2.82,C(=O)(c1ccc(cc1)F)NNC(COc(ccc(c23)OCO2)c3)=O,0.0
66741,CO-ADD:0257200,-2.82,C(C#N)(C1c(cc2)ccc2N(C)C)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
66742,CO-ADD:0258144,-2.82,N1(c2cccc(Cl)c2)C(=O)\C(\C=C1c3ccccc3)=C\c(ccc4c(cc5)ccc5C(OCC)=O)o4,0.0
66743,CO-ADD:0257856,-2.82,n(ncc1[N+](=O)[O-])(c1)C(=O)c2ccc(cc2Cl)[N+](=O)[O-],0.0
66744,CO-ADD:0260115,-2.82,C(=N/c(cc1)ccc1F)(/SC=C2c(cc3)ccc3C4CCCCC4)\N2CCc(ccc(c5OC)OC)c5.Br,0.0
66745,CO-ADD:0257561,-2.82,C1=C(NCCc2ccccc2)C3(OC1=O)CCCCC3,0.0
66746,CO-ADD:0257194,-2.82,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(=O)c3c(cccc3F)F)F,0.0
66747,CO-ADD:0278092,-2.82,C1(c2ccccc2F)=Nc(cccc3)c3C(=O)N1c4ccc(cc4)C,0.0
66748,CO-ADD:0277870,-2.82,N1(C(C(C)C)C(=O)OC2CC(C)CCC2C(C)C)C(=O)C(C(C(c3c4cccc3)c5c6cccc5)C1=O)C46,0.0
66749,CO-ADD:0283398,-2.82,C(C)(NN=C1C(OC)=O)(C2=O)C1C(N2c(cccc3C(F)(F)F)c3)=O,0.0
66750,CO-ADD:0284578,-2.82,S(=O)(=O)(c(cccc1C(=O)Nc2sc(c3c2C#N)CCCC3)c1)N4CCCCCC4,0.0
66751,CO-ADD:0288985,-2.82,S1(=O)(=O)c2c(ccc(Cl)c2)Oc(cc3[N+](=O)[O-])c(nc3)N1C(C)C,0.0
66752,CO-ADD:0288938,-2.82,n12c(ccn1)c3c(Oc(cc4[N+](=O)[O-])c2nc4)cccc3,0.0
66753,CO-ADD:0292064,-2.82,c1(c2c(sc1NC(=O)c3cccs3)CCC2)C(=O)Nc4cccc(C)c4,0.0
66754,CO-ADD:0288507,-2.82,n(C1CCCC1)(c(C)cn2)c2CCN.Cl.Cl,0.0
66755,CO-ADD:0288434,-2.82,c1(CC(CCCN2)C2)ncc(C)n1CCC.Cl.Cl,0.0
66756,CO-ADD:0289202,-2.82,C(=O)(c1cccc(c1)OCC2CCCN2)NC3CC3.Cl,0.0
66757,CO-ADD:0288903,-2.82,c(n1CC2CCCN(C(C(F)(F)F)=O)C2)(C3CCOCC3)nc([N+](=O)[O-])c1C,0.0
66758,CO-ADD:0288599,-2.82,C(=O)(OC(C)(C)C)N(CC1Cn2c(C)cnc2c3ccccc3)C1,0.0
66759,CO-ADD:0290469,-2.82,c1(S(CCC)(=O)=O)c2n(c(C(=O)c3ccc(cc3)Br)c1S(CCC)(=O)=O)cccc2N,0.0
66760,CO-ADD:0288819,-2.83,c(cc1[N+](=O)[O-])(C(=O)NCC#C)cc([N+](=O)[O-])c1,0.0
66761,CO-ADD:0300084,-2.83,c1(SC2CCCCC2)nc(c3n1CC(N)=O)cccc3,0.0
66762,CO-ADD:0291378,-2.83,C12(Nc(cccc3)c3C(=O)N1c4ccccc4)C(=O)Nc(ccc(Br)c5)c25,0.0
66763,CO-ADD:0286314,-2.83,C(=O)(N(CC1)CCN1C)c2ccccc2NC(COc3ccccc3)=O,0.0
66764,CO-ADD:0286330,-2.83,C1(c(c(C(=O)c(cccc2)c12)ccc3)c3N(C4=O)C5CCCCC5)=C4N,0.0
66765,CO-ADD:0286643,-2.83,c1(N(C)C)ccc(\C=N\NC(=O)CC2(C)OCCO2)o1,0.0
66766,CO-ADD:0285811,-2.83,c(C#N)(c(\C(\C#N)=C\c(ccc(c1OC)OCc2c(cccc2Cl)F)c1)nn3c4ccccc4)c3N,0.0
66767,CO-ADD:0286116,-2.83,c1(C(=O)N(CC2)CCO2)c3c(sc1NC(=O)c4cccc(C)c4)CC(C)CC3,0.0
66768,CO-ADD:0290356,-2.83,c1(c2nc(cccc3)c3n1)\C(=N/OC(=O)c4ccc(cc4)OC)\c5c2cccc5,0.0
66769,CO-ADD:0299754,-2.83,n1(c2ccccc2)c(COc3cccc(cccc4)c34)nnc1S,0.0
66770,CO-ADD:0299546,-2.83,N(CC(=O)Nc(c(C)ccc1C(O)=O)c1)(C(=O)C(C2C34Br)C(c(c35)cccc5)c(c46)cccc6)C2=O,0.0
66771,CO-ADD:0299443,-2.83,c1(C#N)c(SCC(=O)Nc2nnc(CC)s2)nc(cc1C(F)(F)F)c3ccccc3,0.0
66772,CO-ADD:0285553,-2.83,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CN(CC3)CCN3CCO,0.0
66773,CO-ADD:0295775,-2.83,c1(cc(cc2)NC(CSc3nnc(C)s3)=O)c2C(=O)c(c4C1=O)cccc4,0.0
66774,CO-ADD:0293562,-2.83,c1(c(C)nn2c3ccccc3)c2OC(N)=C(C#N)C14c5c(c(cccc6)c46)cccc5,0.0
66775,CO-ADD:0292214,-2.83,C(=O)(Nc(cc1)ccc1Cc(cc2)ccn2)Nc3c(Cl)cc(c(F)c3)F,0.0
66776,CO-ADD:0293458,-2.83,c(non1)(nc(NC(C)C)c(n2)Nc(ccc(c3C)C)c3)c12,0.0
66777,CO-ADD:0293434,-2.83,c(non1)(nc(Nc(ccc(c23)OCO2)c3)c(n4)Nc(ccc(c56)OCO5)c6)c14,0.0
66778,CO-ADD:0293770,-2.83,C(/C=Cc(c12)cc(cc1)C)(\N2CC)=C(/C#N)\C(OCC)=O,0.0
66779,CO-ADD:0293800,-2.83,C(/Oc(c12)ccc3c1OC(=O)C=C3C)(\C2=O)=N/N(c4cccc(CC)c4)C(C)=O,0.0
66780,CO-ADD:0295541,-2.83,C(F)(F)(F)Oc(cc1)ccc1NC(=O)CCN(CC2)CCN2C.Cl,0.0
66781,CO-ADD:0294452,-2.83,C1(CCCCC1)(C(OC)=O)C(=O)C2(CCCCC2)Br,0.0
66782,CO-ADD:0294014,-2.83,o1c(SCC(C)=O)nnc1c2cccc(Br)c2,0.0
66783,CO-ADD:0293951,-2.83,o(c(c1cccc(F)c1)nn2)c2c3ccc(c(OC)c3)OC,0.0
66784,CO-ADD:0293808,-2.83,c1(c(Cl)cc(c(C#N)c1)C#N)N(CC2)CCO2,0.0
66785,CO-ADD:0287457,-2.83,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)OC)c4sc(c5c4C#N)CCCCC5,0.0
66786,CO-ADD:0287162,-2.83,C1(C2)(CC(CC=C1Br)(CN2CC(O)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
66787,CO-ADD:0291009,-2.83,C(=N/Nc(nnc(c12)c3c(cccc3)[nH]1)n2)(/c4c(N5CC(O)=O)cccc4)\C5=O,0.0
66788,CO-ADD:0291162,-2.83,c1(C2c(cc3)ccn3)c(n[nH]c1C(C)(C)C)OC(N)=C2C#N,0.0
66789,CO-ADD:0290827,-2.83,S(=O)(=O)(Oc1cccc(cccn2)c12)c3c(C)ccc(Cl)c3,0.0
66790,CO-ADD:0291211,-2.84,n1(c2ccc(cc2)OC)nc(c3n1)ccc(NC(COc(ccc(c4C)C)c4)=O)c3,0.0
66791,CO-ADD:0259280,-2.84,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C/c(c3c([nH]4)cccc3)c4)c5nonc5N,0.0
66792,CO-ADD:0260200,-2.84,C12c(cccc3)c3C(C(CCC)C1C(=O)Nc4ccc(cc4C)C)c(cccc5)c25,0.0
66793,CO-ADD:0260138,-2.84,C(F)(F)(F)c(ccc(c1NC(=O)c2ccc(c(OC)c2)OC)OCc3ccccc3)c1,0.0
66794,CO-ADD:0259268,-2.84,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)Br)n(c(c3)c1S(CCC)(=O)=O)ccn3,0.0
66795,CO-ADD:0294141,-2.84,S1(=O)(=O)c(cccc2)c2C(N(C)NC(=O)CN3C=Nc(c4C3=O)cccc4)=N1,0.0
66796,CO-ADD:0293707,-2.84,N1(c2ccc(cc2)OC(F)(Cl)F)C(=O)CC(N(CC3)CCN3CC)C1=O,0.0
66797,CO-ADD:0293981,-2.84,c1(sc2c(cccc2C)n1)NC(=O)c3ccccc3F,0.0
66798,CO-ADD:0292660,-2.84,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc(cc(OC)cc4[N+](=O)[O-])c4)n2,0.0
66799,CO-ADD:0292912,-2.84,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Oc(cc4)ccc4Br)cc5[N+](=O)[O-])c5)c1Cl,0.0
66800,CO-ADD:0292671,-2.84,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc(cc4)ccc4C#N)n2,0.0
66801,CO-ADD:0257583,-2.84,c1(\C=N\NC(CCC(=O)NC2CCCCC2)=O)c(cccc1Cl)Cl,0.0
66802,CO-ADD:0257328,-2.84,S(=O)(=O)(c1ccc(cc1)C)Nc2nc3c(nc2Nc(cc4)ccc4F)cccc3,0.0
66803,CO-ADD:0257632,-2.84,N1(c(cc2)ccc2C(OC)=O)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(cc4)ccc4C(O)=O,0.0
66804,CO-ADD:0259418,-2.84,c12c(nnc(SCC(=O)Nc3sc(c4c3C(OCC)=O)CCCC4)n1)c5c(cccc5)n2Cc6ccccc6,0.0
66805,CO-ADD:0283591,-2.84,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Oc(cc4)ccc4F)cc5[N+](=O)[O-])c5)c1Br,0.0
66806,CO-ADD:0278351,-2.84,C(=O)(C(C1\C(\C2C=C1)=C(/C)\C)C2C3=O)N3,0.0
66807,CO-ADD:0278256,-2.84,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OCc5ccccc5F)c4)\C1=O,0.0
66808,CO-ADD:0291801,-2.84,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc4c(cc5)ccc5C(OCC)=O)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
66809,CO-ADD:0290984,-2.84,c1(C#N)c(c2ccc(cc2)C)c(CCC)c(nc1N)CCCC,0.0
66810,CO-ADD:0290888,-2.84,c1(C2=O)c(sc3c1CC(C)(C)CC3C)N=C(S)N2c4ccccc4,0.0
66811,CO-ADD:0290301,-2.84,N12C(S\C(=C\c(cc3OC)cc(c3O)I)\C1=O)=NC(C)=C(C(C)=O)C2c4c(OC)ccc(cccc5)c45,0.0
66812,CO-ADD:0292026,-2.84,s1c(c2ccc(c(OC)c2)OC)nnc1NC(=O)c3cccc(C)c3,0.0
66813,CO-ADD:0292196,-2.84,c1(C#N)c(N)[nH]nc1\C(\C#N)=C\c(ccc(c2Br)OC)c2,0.0
66814,CO-ADD:0288516,-2.84,n(C(C1)CC1)(c(C)cn2)c2CCN.Cl.Cl,0.0
66815,CO-ADD:0289296,-2.84,N1(C(CC2)CCN2C(=O)OC(C)(C)C)C(=S)NN=C1C3CCCCC3,0.0
66816,CO-ADD:0288876,-2.84,c(n1Cc(ccc2C(F)(F)F)cc2)(ncc1C)c3oc([N+](=O)[O-])cc3,0.0
66817,CO-ADD:0287730,-2.84,c1(OC(N)=C(C2c3ccc(c(OC)c3OC)OC)C#N)c2c(n[nH]1)COC,0.0
66818,CO-ADD:0290795,-2.85,c1(cc(C#N)c(cc1Oc(cc(C)cc2Oc3cc(C#N)c(cc3[N+](=O)[O-])C#N)c2)C#N)[N+](=O)[O-],0.0
66819,CO-ADD:0291187,-2.85,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Oc(ccc(c45)CCC4)c5)cc6[N+](=O)[O-])c6)c1Cl,0.0
66820,CO-ADD:0285350,-2.85,C(SC\C(\CS1)=N\NCCCCCCCCCCCCCCCCC)(SC(S2)=S)=C12,0.0
66821,CO-ADD:0285407,-2.85,C(C(C)=O)(C1c2ccc(cc2)F)=C(O)C(N1c3ccc(cc3)O)=O,0.0
66822,CO-ADD:0300033,-2.85,C(C#N)(C(CC(N1)=O)c2ccc(c(OCC)c2)O)=C1SCc3cccc(cccc4)c34,0.0
66823,CO-ADD:0287945,-2.85,c1(OC(N)=C(C2c3ccc(c(OC)c3)OC(C)C)C#N)c2c(n[nH]1)CCC,0.0
66824,CO-ADD:0285483,-2.85,C12(CC(OC1=O)COCCCC)CC(OC2=O)(C)c3csc(N)n3,0.0
66825,CO-ADD:0285578,-2.85,C12c(cccc3)c3C(C(C)C1C(=O)Nc4cccc(Cl)c4)c(cccc5)c25,0.0
66826,CO-ADD:0299722,-2.85,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N3CCNC(C)C3,0.0
66827,CO-ADD:0299539,-2.85,C(Nc1ccccc1)(C(F)(F)F)(C(F)(F)F)NC(=O)c2ccccc2OCC,0.0
66828,CO-ADD:0299748,-2.85,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c(cccc5C(F)(F)F)c5)o4)\C1=O,0.0
66829,CO-ADD:0299806,-2.85,N1(Cc(cc2)ccc2F)C(=O)NC(\C(=C/c(cc3OC)cc(c3OC)OC)\C1=O)=O,0.0
66830,CO-ADD:0299736,-2.85,c(c(NCCCN(CC1)CCO1)c(C)c(c2[N+](=O)[O-])Cl)(c2)[N+](=O)[O-],0.0
66831,CO-ADD:0296027,-2.85,c1(N=NC(=O)C(CC)(CC)O)c2c(n(CC)c1O)cccc2,0.0
66832,CO-ADD:0293046,-2.85,c1(cc(F)c(cc1N(CC2)CCN2C(CC)=O)N(CC3)CCO3)[N+](=O)[O-],0.0
66833,CO-ADD:0292967,-2.85,C(C(=O)c1ccc(cc1)Br)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCN(CC)CC)=O,0.0
66834,CO-ADD:0295335,-2.85,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccccc3)C2c4ccc(c5c4)OCO5,0.0
66835,CO-ADD:0292567,-2.85,n12c(nc(c3ccccc3)cc1C(F)(F)F)c(c(C)n2)c4ccccc4,0.0
66836,CO-ADD:0295850,-2.85,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N(CC2)CCN2C(=O)C34CC(CC5C3)CC(C5)C4)F,0.0
66837,CO-ADD:0295348,-2.85,c1(NC(=O)c2cc(ccc2NC3CCCCC3)[N+](=O)[O-])sc(c4c1C(OCC)=O)CCCC4,0.0
66838,CO-ADD:0293801,-2.85,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(CSc4sc5c(ccc(N)c5)n4)=O)n1,0.0
66839,CO-ADD:0294115,-2.85,N(C(=O)\C(\S1)=C\c(cc2)ccc2O)=C1N3CCCC(C)C3,0.0
66840,CO-ADD:0295748,-2.85,c1(c2c(sc1NC(CSc3ncccn3)=O)CCCC2)C(=O)OC(C)C,0.0
66841,CO-ADD:0294583,-2.85,[N+](=O)([O-])c1ccc(c2c1cccn2)N(CC3)CCN3C,0.0
66842,CO-ADD:0293931,-2.85,c12n(ncn1N)c(nn2)SCC(=O)Nc3cc(Cl)cc(Cl)c3,0.0
66843,CO-ADD:0299311,-2.85,N1=C(c2ccccc2)CCN1C(c3ccccc3)C#N,0.0
66844,CO-ADD:0290964,-2.85,C1(C(=O)Nc(cc2)ccc2N=Nc3ccccc3)=Cc(cccc4CC=C)c4OC1=O,0.0
66845,CO-ADD:0290892,-2.85,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)Nc4ccc(cn4)Cl)c1C)cc(OC)cc3,0.0
66846,CO-ADD:0291229,-2.85,N1(c2cccc(C)c2)C(=O)\C(=C/Nc3[nH]nnn3)\C(NC1=O)=O,0.0
66847,CO-ADD:0290416,-2.85,c1(c(C)nn(c2ccccc2)c1O)C(c(cccn3)c3)c4c(C)nn(c5ccccc5)c4O,0.0
66848,CO-ADD:0294759,-2.85,C(C(c1ccccc1)=O)(C2c3cccc(F)c3)=C(O)C(N2CCOC)=O,0.0
66849,CO-ADD:0293959,-2.85,N(CCN(CC(O)COc1ccccc1)CC(O)COc2ccccc2)(CC(O)COc3ccccc3)CC(O)COc4ccccc4,0.0
66850,CO-ADD:0295550,-2.85,c12c(CCNC1c3ccccc3O)cc(c(OC)c2)OC,0.0
66851,CO-ADD:0295528,-2.86,S1(=O)c(cc(cc2N\N=C(\C)/C)[N+](=O)[O-])c2C(=O)N1C,0.0
66852,CO-ADD:0292819,-2.86,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccc(cc3F)F)N4CCCCC4)[N+](=O)[O-],0.0
66853,CO-ADD:0295190,-2.86,c12n(c3c(cccc3)n1CC)cc(C45CC6CC(CC(C6)C4)C5)n2,0.0
66854,CO-ADD:0283260,-2.86,c(c1ccco1)(nnc2c3ccccc3C)o2,0.0
66855,CO-ADD:0278918,-2.86,N1(c2ccc(cc2Br)Br)C(=O)CC(N3CCC(CC3)O)C1=O,0.0
66856,CO-ADD:0278451,-2.86,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(c4c3)cccc4)\N2CCc(ccc(c5OC)OC)c5.Br,0.0
66857,CO-ADD:0284140,-2.86,C1(C(OCCSC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCCC)=O,0.0
66858,CO-ADD:0278988,-2.86,N1(C)C(=O)\C(\SC1=S)=C/C=C/c2ccccc2Cl,0.0
66859,CO-ADD:0283847,-2.86,c1(c2ccc(cc2)C)coc(cc(OC(=O)C=C3C)c34)c1c4,0.0
66860,CO-ADD:0257618,-2.86,N1(C2c3cccs3)C(S\C(=C\c(ccc(c4OC)O)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
66861,CO-ADD:0284770,-2.86,c1(C(=O)N2CCCCC2)c3c(sc1NC(=O)c4ccc(cc4)C)CC(C)CC3,0.0
66862,CO-ADD:0283645,-2.86,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)OC)c4sc(c5c4C(OC)=O)CCCCC5,0.0
66863,CO-ADD:0290563,-2.86,C1(=N)Sc2c(ccc(OC)c2)N1CCO,0.0
66864,CO-ADD:0288649,-2.86,C(OC(C)(C)C)(=O)N(CC(C1)Cn2c(COC)ncc2C)CC1,0.0
66865,CO-ADD:0291119,-2.86,c1(cn2)c(CC(C)(C)CC1=O)nc2NC(CC(C)C)=O,0.0
66866,CO-ADD:0290328,-2.86,c1(c(cc(CC)s1)cc2C(=O)N(CC3)CCN3Cc4ccccc4)s2.Cl,0.0
66867,CO-ADD:0285978,-2.86,O=C(N/N=C(C1C[C@@H]23)\[C@H]3C2C1CO)C4=CC=NC=C4,0.0
66868,CO-ADD:0286419,-2.86,C(/Sc1n2c3c(cccc3)n1)(\C2=O)=C(/Sc(c45)ccc(OC)c4)\N5CC,0.0
66869,CO-ADD:0286427,-2.86,C(/[N+](=O)[O-])(\[N+](=O)[O-])=C(/N)\NC(c1ccccc1)=O,0.0
66870,CO-ADD:0286142,-2.86,N1(C(C)CCCC1C)C(=O)c2ccc(cc2)NC(COc(ccc(c34)cccc3)c4)=O,0.0
66871,CO-ADD:0286317,-2.86,N1(c2ccc(cc2)OC)C(=O)c3c(N=C1C(C)Oc(cc4)ccc4Cl)cccc3,0.0
66872,CO-ADD:0286437,-2.86,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c(ccc4c5c(OC)ccc(c5)[N+](=O)[O-])o4)\C1=O,0.0
66873,CO-ADD:0285423,-2.86,c12n(ccs1)cc(c3ccc(cc3)NC(C)=O)n2,0.0
66874,CO-ADD:0285471,-2.86,[N+](=O)([O-])c(cc1)ccc1\N=C(/C)\N,0.0
66875,CO-ADD:0285479,-2.86,C12=C(CCCC1)NC3(NC2=S)CCCCC3,0.0
66876,CO-ADD:0285495,-2.86,c1(C(OCC)=O)c2c(n(c3ccccc3)c1C)cc(Br)c(O)c2CN(CC4)CCO4.Cl,0.0
66877,CO-ADD:0299197,-2.86,N1(c2ccc(c(Cl)c2)C)C(=O)CC(N(CC3)CCC3(C(N)=O)N4CCCCC4)C1=O,0.0
66878,CO-ADD:0285486,-2.87,C(C(OCC)=O)(C(C)(O)CC(C1C(OCC)=O)=O)C1c(cc2)ccc2N(CC)CC,0.0
66879,CO-ADD:0285091,-2.87,c1(ccc(C(=O)Nc2ccccc2C(O)=O)o1)C(c3ccccc3)=O,0.0
66880,CO-ADD:0290918,-2.87,C(/c1c2cccc1)(\c(cccn3)c23)=C(\C=C(O4)c5ccc(cc5OC)OC)/C4=O,0.0
66881,CO-ADD:0286287,-2.87,c1(N2)n(ncn1)C(C3=C2\C(\CCC3)=C\c(ccc(c4OC)O)c4)c5ccc(c(OC)c5)O,0.0
66882,CO-ADD:0286392,-2.87,C1(C#N)=C(SCC(OCc2ccccc2)=O)NC(=O)CC1c3sccc3C,0.0
66883,CO-ADD:0286352,-2.87,C(C(=O)c1ccc(cc1)C)(C2c3ccc(c(OC)c3)OC)=C(O)C(N2c(cccc4C(F)(F)F)c4)=O,0.0
66884,CO-ADD:0294332,-2.87,C(C(OC)=O)(C1c2ccc(c(OC)c2)OCc3ccccc3)=C(C)N(C(C)=C1C(OC)=O)C,0.0
66885,CO-ADD:0295035,-2.87,c1(sc2c(c(COC)cc(C)n2)c1N)c3[nH]c(c(c4)n3)ccc4[N+](=O)[O-].Cl.Cl,0.0
66886,CO-ADD:0295460,-2.87,c1(cc(ccc1N(CC2)CCO2)[N+](=O)[O-])C(=O)c3ccc(cc3)Cl,0.0
66887,CO-ADD:0295670,-2.87,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4OC)cc(c4OC)Br)cc(c(C)c3)C,0.0
66888,CO-ADD:0292531,-2.87,N(C(=O)CCN1CC=C)c2c1cccc2,0.0
66889,CO-ADD:0292456,-2.87,C(C(OCC)=O)(C(c1ccc(cc1)O)N2)=C(C)N(C2=O)C,0.0
66890,CO-ADD:0293871,-2.87,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(NCCC4=CCCCC4)=O,0.0
66891,CO-ADD:0294895,-2.87,c1(c2c(sc1NC(CSc3nnc(C)s3)=O)CCCC2)C(=O)OC(C)C,0.0
66892,CO-ADD:0292831,-2.87,c1(OC(N)=C(C2c(cc3)cc(c3OC(=O)N(CC4)CCO4)OC)C#N)c2c(n[nH]1)C,0.0
66893,CO-ADD:0294584,-2.87,c12c(CC(C(O)=O)NC1c3ccc(cc3OC)OC)c4c(cccc4)[nH]2,0.0
66894,CO-ADD:0296171,-2.87,N1(C(C)=CC(NC1=S)(C)C)NC(=O)c2ccc(cc2)OCC,0.0
66895,CO-ADD:0292629,-2.87,C(C(C)=O)(C1c2ccc(cc2)Cl)=C(O)C(N1c3ccc(cc3)O)=O,0.0
66896,CO-ADD:0290513,-2.87,C1(Cc2cccc(Br)c2)(c3ccc(cc3)Cl)C(=O)c(c4C1=O)cccc4,0.0
66897,CO-ADD:0290379,-2.87,c12c(n(c(Br)n1)CC#N)C(N(C)C(=O)N2C)=O,0.0
66898,CO-ADD:0287575,-2.87,N1(c(ccc(c2)Br)c2OC1=O)C(=O)Nc3cccc(Cl)c3,0.0
66899,CO-ADD:0290392,-2.87,c1(ccccc1NC(=O)c2cccc(c2)NC(CSCc3ccccc3)=O)C(O)=O,0.0
66900,CO-ADD:0290440,-2.87,N1(c2ccccc2)\C(=N/N=C/c(cccn3)c3)\SCC1=O,0.0
66901,CO-ADD:0290473,-2.87,C(/S(CCCCCCCC)(=O)=O)(\S(CCCCCCCC)(=O)=O)=C(\Nc(cc1)ccc1CC)/Nc(cc2)ccc2CC,0.0
66902,CO-ADD:0292265,-2.87,c1(c2ccccc2C)nnn(Cc(cc3)ccc3Cl)n1,0.0
66903,CO-ADD:0296001,-2.87,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)cc(c4OC(CC)=O)OC)\C1=O,0.0
66904,CO-ADD:0293891,-2.87,N1(c2ccc(cc2)C)C(CC)(CC)Nc(c3C1=O)cccc3,0.0
66905,CO-ADD:0295898,-2.87,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccc(cc3)OCC,0.0
66906,CO-ADD:0293552,-2.87,c1(CC(O)c(cc2)ccc2N(C)C)n(C)c3c(cccc3)n1,0.0
66907,CO-ADD:0293546,-2.87,C1(c2ccccc2)=C(\C=N\NC(N)=S)C(C=C3)CC13,0.0
66908,CO-ADD:0257471,-2.87,N1(c2ccc(cc2)F)C(c3ccc(cc3)OCCC)Nc(c4C1=O)cccc4,0.0
66909,CO-ADD:0278189,-2.88,N1(C(c(cc2)ccn2)N(CC1=O)Cc3ccccc3)\N=C(/C)\c4ccc(cc4)Cl,0.0
66910,CO-ADD:0259914,-2.88,c1(SCC(=O)Nc(cccc2C(F)(F)F)c2)sc3c(ccc(N)c3)n1,0.0
66911,CO-ADD:0258034,-2.88,n12c(S\C(=C/c3cccc(Br)c3)\C1=O)nnc2c4ccccc4,0.0
66912,CO-ADD:0257387,-2.88,c1(cc(\C=N/Nc2nncn2N)c(cc1N(CC3)CCO3)N(CC4)CCO4)[N+](=O)[O-].Cl.Cl,0.0
66913,CO-ADD:0257555,-2.88,c1(SCC(=O)Nc2ccccc2C(O)=O)sc3c(ccc(OCC)c3)n1,0.0
66914,CO-ADD:0284862,-2.88,N1(c2ccccc2F)C(=O)C(CC1=O)S\C(\NCC)=N\c3ccccc3OC,0.0
66915,CO-ADD:0284898,-2.88,c1(ccccc1NC(=O)c2ccc(cc2)OCCC)C(O)=O,0.0
66916,CO-ADD:0286366,-2.88,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3I)\N2C)N4CCCC4.Br,0.0
66917,CO-ADD:0286310,-2.88,c1(NC(=O)c2cccc(C)c2)n(c3ccccc3)ncc1C(=O)N(C)C,0.0
66918,CO-ADD:0286663,-2.88,c(c1c(s2)CCC1)(C3=O)c2NC(=O)N3c4ccc(cc4)Cl,0.0
66919,CO-ADD:0289023,-2.88,c(C(=O)N(CCCC1C(O)=O)C1)(nnc2C(=O)Nc(cc3)ccc3Cl)s2,0.0
66920,CO-ADD:0288632,-2.88,C(OC(C)(C)C)(N(CC1n(c2C)c(C)nc2)CCC1)=O,0.0
66921,CO-ADD:0300085,-2.88,n1c2c(oc1SCCOc(cc3)ccc3C(C)(C)C)cccc2,0.0
66922,CO-ADD:0299685,-2.88,C1(C(=O)N(C)C(N2C)=O)=C2Oc(c3NC1c(cc4)ccc4[N+](=O)[O-])cccc3,0.0
66923,CO-ADD:0299447,-2.88,c12c(n(c(NCCOc(cc3)ccc3Cl)n1)C)C(N(C)C(=O)N2C)=O,0.0
66924,CO-ADD:0287299,-2.88,c(c1C)(o2)c(cc3c1OC(=O)C=C3C)c(c2C(C)=O)C,0.0
66925,CO-ADD:0287339,-2.88,c1(C(=O)C2CC2)oc(c3c1NC(C)=O)ccc(Cl)c3,0.0
66926,CO-ADD:0287643,-2.88,P(O)(=O)(CN1CCCCCC1)CN(CC2)CCO2,0.0
66927,CO-ADD:0291563,-2.88,C1(c2sc(c3n2)cccc3)=C(C(F)(F)F)Oc4c(ccc(c4)O)C1=O,0.0
66928,CO-ADD:0286705,-2.88,c1(SCC)nc(c2n1CC(=O)Nc(cc3)ccc3OCC)cccc2,0.0
66929,CO-ADD:0299241,-2.88,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)NCCCc3ccccc3,0.0
66930,CO-ADD:0286615,-2.88,C1(C(=O)NNC(COc(ccc(c23)cccc2)c3)=O)=Cc4c(OC1=O)cccc4,0.0
66931,CO-ADD:0299960,-2.88,c1(C#N)c(c2cccs2)cc(nc1SCc(cc3)ccc3[N+](=O)[O-])C4CC4,0.0
66932,CO-ADD:0286625,-2.88,c1(C2)c(CCN2C(=O)c3cc4c(ccc(Br)c4)o3)c5c(cccc5)[nH]1,0.0
66933,CO-ADD:0287603,-2.88,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccccc5)C(c6ccccc6)=O,0.0
66934,CO-ADD:0293693,-2.88,c1(c2c(CCCCCC2)nc(N)c1C#N)c3cccn3C,0.0
66935,CO-ADD:0295065,-2.88,N1C(c(cc2)ccc2C(O)=O)SCC1C(O)=O,0.0
66936,CO-ADD:0293514,-2.88,C(=N\c(cc1)ccc1Cl)(/SC(C(O)=O)CC2=O)\N2CCc3ccccc3,0.0
66937,CO-ADD:0294666,-2.88,c1(C(OCC)=O)oc(c2c1N)ccc(Br)c2,0.0
66938,CO-ADD:0294601,-2.88,C(=O)(c1ccco1)Nc2ccc(cc2Cl)NC(COc3ccc(cc3Cl)Cl)=O,0.0
66939,CO-ADD:0292697,-2.88,n1(C)c(SCCNS(c2ccccc2)(=O)=O)nnc1c3ccccc3,0.0
66940,CO-ADD:0295801,-2.88,C(=O)(c1cccc(CSc2ncccn2)c1)Nc3ccc(cc3C)I,0.0
66941,CO-ADD:0292596,-2.88,c1(NC(CNCc2ccccc2)=O)sc(c3c1C(OCC)=O)CCCCC3,0.0
66942,CO-ADD:0292590,-2.88,c(Nc1ccccc1[N+](=O)[O-])(nc(NN)nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
66943,CO-ADD:0294914,-2.89,N(CCc(c12)cc(c3c1)OCO3)(C4)C2Cc(ccc(OC)c5OC)c45,0.0
66944,CO-ADD:0294339,-2.89,C12(c3c(NC1=O)ccc(c3)[N+](=O)[O-])C4=C(CC(c5ccccc5)CC4=O)OC(N)=C2C#N,0.0
66945,CO-ADD:0293273,-2.89,N1(CC2CO2)C(=O)C(CC3)C(C3(C)C1=O)(C)C,0.0
66946,CO-ADD:0285174,-2.89,C(=C\c(ccc(c12)OCO1)c2)(/C=C(O3)c4ccc5c(ccc(C)c5)c4)\C3=O,0.0
66947,CO-ADD:0290412,-2.89,S(C)(=O)(=O)N(Cc(cc1)ccc1C(=O)Nc(cc2)ccc2OC)c3ccc(c(C)c3)C,0.0
66948,CO-ADD:0290709,-2.89,C(C(c1ccccc1)=O)(C2c3ccc(c(OC)c3)OC)=C(O)C(N2CC4CCCO4)=O,0.0
66949,CO-ADD:0290389,-2.89,C(C)(O)(O1)C(C)(CCC12C)OC2(C)O,0.0
66950,CO-ADD:0287546,-2.89,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5ccc(cc5)OCC)C6=C2CC(C)(C)CC6=O)C#N,0.0
66951,CO-ADD:0293484,-2.89,c1(c2c(sc1NC(C)=O)CCCCC2)C(=O)Nc(cc3)ccc3C,0.0
66952,CO-ADD:0294651,-2.89,C1(C(c2ccccc2)=O)=C(O)C(N(c(cc3)ccc3C(OCC)=O)C1(O)C(OC)=O)=O,0.0
66953,CO-ADD:0295271,-2.89,C1(OC(CO1)COC(C(F)(F)F)(C(F)(F)F)NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F,0.0
66954,CO-ADD:0295718,-2.89,C(O)(C(OC)=O)(c(cc1)cc(c1NC(=S)NC(=O)c2ccc(cc2Cl)Cl)C)C(F)(F)F,0.0
66955,CO-ADD:0293669,-2.89,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(c(OC)c5)OCC)cccc4,0.0
66956,CO-ADD:0292216,-2.89,N1(C2c3ccccc3)C(S\C(=C\c(ccc4c5cccc(Cl)c5Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
66957,CO-ADD:0278665,-2.89,S(=O)(=O)(c1ccc(cc1)C)c2c(O)cc(c(c2C)NS(=O)(=O)c3ccc(cc3)Cl)C,0.0
66958,CO-ADD:0258495,-2.89,n1(c(cc(C)cc2C)c2n3)c3S\C(=C\c(cc4OC)cc(c4OC)OC)\C1=O,0.0
66959,CO-ADD:0279124,-2.89,C(c1ccccc1)(=O)Nc(ccc(c2C)O)c2,0.0
66960,CO-ADD:0284149,-2.89,c1(C(c2ccc(cc2)Cl)N(CC3)CCO3)nnnn1c4ccccc4,0.0
66961,CO-ADD:0258786,-2.89,C12(c(cccc3)c3C(c4ccc(cc4)C)(c5ccc(cc5)C)S1)SC(=NN2c6cccc(Cl)c6C)C(C)=O,0.0
66962,CO-ADD:0284548,-2.89,c1(C(O)c2ccc(c(OC)c2)OC)n(C(C)C)c3c(cccc3)n1,0.0
66963,CO-ADD:0284536,-2.89,C(/C(C)=NN1c(ccc(c2C(O)=O)Cl)c2)(=C\c(cc(OC)c(c3)OC)c3Br)\C1=O,0.0
66964,CO-ADD:0257985,-2.89,S(N)(=O)(=O)c1ccc(cc1)NC(COC(=O)C(c2ccccc2)NC(c3ccccc3)=O)=O,0.0
66965,CO-ADD:0257846,-2.89,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc(n4c5ccc(cc5)Cl)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
66966,CO-ADD:0284687,-2.89,n(CC(=O)Nc(cc1)ccc1[N+](=O)[O-])(c(C)nn2)n2,0.0
66967,CO-ADD:0277655,-2.89,c1(nnc(C)s1)NC(C(CC)SCCSC(CC)C(=O)Nc2nnc(C)s2)=O,0.0
66968,CO-ADD:0287443,-2.9,n(c(c1ccccc1)c2)c3c(c2C(NCCOc4ccccc4)=O)cccc3Cl,0.0
66969,CO-ADD:0287820,-2.9,n1c(ccc(C#N)c1SCc2ccccn2)c3cccs3,0.0
66970,CO-ADD:0287212,-2.9,C1(=NNC(=S)O1)c2cc(Cl)ccc2OC,0.0
66971,CO-ADD:0287572,-2.9,C1(=O)Oc2c(ccc(c2)OC(=O)Nc3ccccc3)S1,0.0
66972,CO-ADD:0287133,-2.9,c1(SCC(=O)c2ccc(cc2)C)[nH]c(c3n1)cccc3,0.0
66973,CO-ADD:0287533,-2.9,C1(CC(C)(C)NC2(Br)SCC=C)(CC(c3ccccc3)Oc4c1ccc(c4)O)N2,0.0
66975,CO-ADD:0288581,-2.9,C(=O)(OC(C)(C)C)N(CC1c2n(c(cn2)C)Cc3ccccc3)C1,0.0
66976,CO-ADD:0288542,-2.9,n(C(C1)CCN1)(c(C)cn2)c2C.Cl.Cl,0.0
66977,CO-ADD:0288726,-2.9,c1cc(ccc1C(OCC)=O)NC(=O)C(=S)N\N=C\c2ccc([N+](=O)[O-])o2,0.0
66978,CO-ADD:0292115,-2.9,c1(c(cccc2NC(=O)c3c(Cl)ccc(c3)[N+](=O)[O-])c2)sc(c4n1)cccc4,0.0
66979,CO-ADD:0291844,-2.9,N(C(=O)NN=C1SCc2cccc(cccc3)c23)C1=O,0.0
66980,CO-ADD:0290919,-2.9,c1(c(C)nn(c2ccccc2)c1O)C(c(cc3OC)cc(c3OC)OC)c4c(C)nn(c5ccccc5)c4O,0.0
66981,CO-ADD:0291519,-2.9,c1(sc2c(ccc(OCC)c2)n1)NC(=O)c3ccc(c(OC)c3)OC,0.0
66982,CO-ADD:0299994,-2.9,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(ccc(c3[N+](=O)[O-])O)c3,0.0
66983,CO-ADD:0286827,-2.9,N1(NCc2ccccc2)C(=O)OC(C)(C)C1(C)O,0.0
66984,CO-ADD:0286627,-2.9,S(=O)(=O)(Nc1ccccc1C(=O)Nc2sc(c(C)c2C(OCC)=O)C(OCC)=O)c3cccc(nsn4)c34,0.0
66985,CO-ADD:0286814,-2.9,N1(Cc(cc2)ccc2OC)\C(=N\c3ccccc3)\SC(C(O)=O)CC1=O,0.0
66986,CO-ADD:0296155,-2.9,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
66987,CO-ADD:0292938,-2.9,n1(CC(OC)=O)ncnn1,0.0
66988,CO-ADD:0296147,-2.9,S1(=O)c(cc(cc2NN)[N+](=O)[O-])c2C(=O)N1C,0.0
66989,CO-ADD:0295060,-2.9,[n+]1(CCCCI)ccc(c(cccc2)c12)\C=C\c3ccccc3O.[I-],0.0
66990,CO-ADD:0295493,-2.9,c([N+](=O)[O-])(nn(c1C(O)=O)Cc2ccccc2)c1,0.0
66991,CO-ADD:0292227,-2.9,n1c(c2ccc(cc2)Br)[nH]c(c3ccccc3)c1c(ccc(c4C#N)C#N)c4,0.0
66992,CO-ADD:0294753,-2.9,c1(sc(c2n1)cccc2)N(NC(=O)C3CC3)C(=O)C4CC4,0.0
66993,CO-ADD:0294049,-2.91,C(=C/C(=O)\C=C\c(cc1)ccc1F)(/Nc2c(O3)cccc2)\C3=O,0.0
66994,CO-ADD:0292243,-2.91,N1\C(=N\c2ccccc2)\C(\SC1=O)=C\c3ccc(cc3OC)OC,0.0
66995,CO-ADD:0294005,-2.91,c1(sc(c2n1)cccc2)\C(\C#N)=C\c(cc3OC)cc(c3O)Cl,0.0
66996,CO-ADD:0294480,-2.91,N1(c2ccc(cc2)F)C(=O)C(CC1=O)S\C(=N/CC)\Nc(cc3)ccc3OC(F)(F)Cl,0.0
66997,CO-ADD:0295538,-2.91,C1(C(OCC)=O)=CNc(c2C1=O)ccc(c2)OC(F)(F)F,0.0
66998,CO-ADD:0286235,-2.91,c1(cnc(NC(=O)CSS(=O)(=O)[O-])s1)[N+](=O)[O-].[Na+],0.0
66999,CO-ADD:0286243,-2.91,c(C(=O)c1ccc(cc1)OC)(sc(c23)nc(c(C#N)c2c(cc4)ccc4C(C)C)N)c3N,0.0
67000,CO-ADD:0288070,-2.91,C(OC(C)=O)(C(=O)Nc(cc1)ccc1[N+](=O)[O-])C(OC(C)=O)C(COC(C)=O)OC(C)=O,0.0
67001,CO-ADD:0286253,-2.91,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5cc(OC)ccc5OC)C6=C2CC(C)(C)CC6=O)C#N,0.0
67002,CO-ADD:0291377,-2.91,c1(cc(ccc1N(CC2)CCN2CCSc3nc(O)cc(N)n3)C(F)(F)F)[N+](=O)[O-],0.0
67003,CO-ADD:0287863,-2.91,c(C(=O)c1ccc(cc1)Cl)(o2)c(c3ccccc3)c(c2c4C)cc5c4OC(C=C5C)=O,0.0
67004,CO-ADD:0293965,-2.91,n(\N=C\c(cc1)ccc1OCCOc2ccccc2)(cnn3)c3,0.0
67005,CO-ADD:0294044,-2.91,c1(NC(=O)\C=C\c2ccccc2OC)sc(c3c1C(N)=O)CCC3,0.0
67006,CO-ADD:0294441,-2.91,C1(C(OCCSCC)=O)=C(C)NC(=O)NC1c(cc2)ccc2N(CC)CC,0.0
67007,CO-ADD:0295948,-2.91,c1(nc(ccc(c2)C)c2c(O)n1)Nc3nc(cccc4)c4c(C)n3,0.0
67008,CO-ADD:0294649,-2.91,n1(c(C)cc(C)n1)c2cc(ccc2c([nH]nn3)n3)[N+](=O)[O-],0.0
67009,CO-ADD:0293541,-2.91,c1(C(O)c2ccc(c(OC)c2)OCc3ccccc3)n(CCC)c4c(cccc4)n1,0.0
67010,CO-ADD:0283981,-2.91,C(C(OCCOc1ccccc1)=O)(C2c3ccc(cc3)Br)=C(C)NC(CC(c4ccc(cc4)OC)CC5=O)=C25,0.0
67011,CO-ADD:0278400,-2.91,c(nc(c1ccco1)cc2C(F)(F)F)(c3Br)n2nc3C(=O)N4CCCCCC4,0.0
67012,CO-ADD:0257420,-2.91,C(=O)(Oc(cc1)c(OCC)cc1C(=S)N(CC2)CCO2)c3ccccc3Cl,0.0
67013,CO-ADD:0257413,-2.91,c1(SCC(=O)Nc(cc2)ccc2Oc(cc3)ccc3Oc(cc4)ccc4NC(CSc5oc(c6n5)cccc6)=O)oc(c7n1)cccc7,0.0
67014,CO-ADD:0257461,-2.91,N(c1c(C)cc(cc1C)C)C(=O)c(c2)cc(cc2NC(c3ccccc3)=O)NC(c4ccccc4)=O,0.0
67015,CO-ADD:0258525,-2.91,N(=C\c(ccc(c12)OCO1)c2)/c3ccc(cc3Br)C,0.0
67016,CO-ADD:0288779,-2.91,C12(CCN(CC1)C(c3oc([N+](=O)[O-])cc3)=O)CC(CCO2)NS(=O)(=O)C,0.0
67017,CO-ADD:0288611,-2.91,C(=O)(OC(C)(C)C)N(C1)CCC(C1)Cn2c(C)cnc2c(ccn3)cc3,0.0
67018,CO-ADD:0289120,-2.91,c(C(=O)Nc1cccc(OC)c1)(nnc2C(OCC)=O)s2,0.0
67020,CO-ADD:0287718,-2.91,N1(c2ccc(cc2)OC)CC(CC1=O)C(NCCc(ccc(c3OC)OC)c3)=O,0.0
67021,CO-ADD:0286203,-2.91,S(=O)(=O)(N(CC1)CCO1)c2csc(C(=O)Nc3ccccc3[N+](=O)[O-])c2,0.0
67022,CO-ADD:0287774,-2.91,C(CN1CN2CC3(C1)[N+](=O)[O-])(C2)([N+](=O)[O-])C3(C)C,0.0
67023,CO-ADD:0287782,-2.91,c(C#N)(c1c2ccccc2)c(SCc3ccccc3)nc(N)c1C#N,0.0
67024,CO-ADD:0291391,-2.91,C1(C23)C(C(c(cccc4)c24)c5c3cccc5)C(=O)Nc(cccc6)c6NC1=O,0.0
67025,CO-ADD:0299404,-2.92,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4Br,0.0
67026,CO-ADD:0299828,-2.92,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c3c4c([nH]c3C)cccc4)\C1=O)=O,0.0
67027,CO-ADD:0286502,-2.92,C(/c1c(N2Cc3c(cccc3Cl)Cl)cccc1)(=N/N(C)C(NC)=S)\C2=O,0.0
67028,CO-ADD:0286910,-2.92,c12c(nnc(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n1)c(c4n2C(C)C)cccc4,0.0
67029,CO-ADD:0287690,-2.92,N1(c2c(cccc2)Sc(ccc(c3)C(F)(F)F)c13)CC(=O)c4cccc(cccc5)c45,0.0
67030,CO-ADD:0287229,-2.92,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2c3ccc(cc3)OC,0.0
67031,CO-ADD:0287269,-2.92,S(N)(=O)(=O)c1ccc(cc1)NC(COC(CSc2nnc(c3ccccc3)[nH]2)=O)=O,0.0
67032,CO-ADD:0287911,-2.92,C(=S)(Nc1ccccc1)NNC(CSc(cc2)ccc2OC)=O,0.0
67033,CO-ADD:0287015,-2.92,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)NC(=O)Nc2nc(C)nc(OC)n2,0.0
67034,CO-ADD:0289284,-2.92,C(CCCN1)(CC)(C1)C(N)=O.Cl,0.0
67035,CO-ADD:0299396,-2.92,N1(c2ccc(cc2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4[N+](=O)[O-],0.0
67036,CO-ADD:0290975,-2.92,S1(=O)(=O)c(cccc2)c2C(N(CCC#N)NC(=O)c3ccc(cc3)C)=N1,0.0
67037,CO-ADD:0295163,-2.92,c(C(OCC)=O)(c(cc(OC)cc1)c1n2Cc3ccccc3)c2C,0.0
67038,CO-ADD:0292505,-2.92,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(cccc4C(F)(F)F)c4,0.0
67039,CO-ADD:0292932,-2.92,C1(\C=C\c2cccs2)=NCCCN1C,0.0
67040,CO-ADD:0293530,-2.92,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Cl)=C(O)C(N2CCCC(O)=O)=O,0.0
67041,CO-ADD:0294674,-2.92,c1(coc(ccc(OC(C)=O)c2)c12)C(=O)c3cc(c4o3)cccc4,0.0
67042,CO-ADD:0295047,-2.92,n1(c2ccc(cc2)NC(C)=O)cnnn1,0.0
67043,CO-ADD:0295379,-2.92,C(/C1)(=C/c(cc2)ccc2OCc3ccccc3)\C(=O)\C(\CC1C(C)(C)CC)=C\c(cc4)ccc4OCc5ccccc5,0.0
67044,CO-ADD:0295050,-2.92,c(c1c(n2CC(O)=O)cccc1)(c(c3)nc(c4c3C(O)=O)ccc(cccc5)c45)c2,0.0
67045,CO-ADD:0292276,-2.92,N1(CC(O)=O)C(=O)\C(\SC1=S)=C\c(ccc(c2OC)OCc(cc3)ccc3Br)c2,0.0
67046,CO-ADD:0293284,-2.92,n(Cc1ccccc1)(c2c(c3\C=N/NC(=O)c4ccccc4Br)cccc2)c3,0.0
67047,CO-ADD:0293293,-2.92,C12(C)C(C)(C)C(CC1OCC[N+](C)(C)CC(OCCC(C)C)=O)CC2.[Cl-],0.0
67048,CO-ADD:0295921,-2.93,C(=O)(N(CC1)CCN1C(=O)c2ccccc2C(=O)Cc3ccccc3)c4ccccc4C(=O)Cc5ccccc5,0.0
67049,CO-ADD:0291225,-2.93,C1(C(c2ccc(cc2)Cl)C3=C(O)N=C(C)NC3=O)=C(O)N=C(C)NC1=O,0.0
67050,CO-ADD:0290889,-2.93,S(=O)(=O)(c1c(Cl)ccc(Cl)c1)N2CCCC2C(O)=O,0.0
67051,CO-ADD:0287001,-2.93,C(=O)(Nc(cc1)ccc1F)Nc2cccnc2Cl,0.0
67052,CO-ADD:0290909,-2.93,n1(c2ccccc2)c(SCCC(O)=O)nnc1c(cc3)ccc3C(C)(C)C,0.0
67053,CO-ADD:0290777,-2.93,N1(CC=C)C(=O)\C(\SC1=S)=C/c(cc2)ccc2N(CC3)CCO3,0.0
67054,CO-ADD:0299326,-2.93,c1(OC(N)=C(C2c3c4c([nH]c3)cccc4)C#N)c2c(n[nH]1)C,0.0
67055,CO-ADD:0293553,-2.93,N1(c2ccccc2)C(=O)c3c(OC1(C)c(cc4)ccc4N(C)C)cccc3,0.0
67056,CO-ADD:0294278,-2.93,c1(SCc2nc(c3n2Cc4ccccc4)cccc3)n(C)c5c(cccc5)n1,0.0
67057,CO-ADD:0257601,-2.93,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4cccc(cccc5)c45)\N2,0.0
67058,CO-ADD:0284418,-2.93,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3)cc(c3Oc4ccc(cc4[N+](=O)[O-])C(F)(F)F)OC,0.0
67059,CO-ADD:0257908,-2.93,c1(c2cccc(N)c2)[nH]c(c(c3)n1)ccc3C(c4ccccc4)=O,0.0
67060,CO-ADD:0258101,-2.93,n1(c2ccc(c(C#N)c2)C#N)c(c3ccccc3)nnc1c4ccccc4,0.0
67061,CO-ADD:0258446,-2.93,n1(nnc(C)c1C(=O)NNC(=O)c2ccccc2F)c3nonc3N,0.0
67062,CO-ADD:0259015,-2.93,c1(Cl)nc(C)cc(C)c1C(O)=O,0.0
67063,CO-ADD:0259836,-2.93,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c(cc3)cc(c3OC(=O)c4ccc(cc4)Cl)OC,0.0
67064,CO-ADD:0259860,-2.93,N(C=C(C)C(=N1)Nc2ccccc2)(C1=O)c3c(c4ccccc4)oc(c5ccccc5)n3,0.0
67065,CO-ADD:0286557,-2.93,S(c1ccccc1)(=O)(=O)N(Cc2ccccc2)CC(=O)N3CCCC3,0.0
67066,CO-ADD:0287021,-2.93,C(=O)(NC(=O)Nc(cc1)ccc1F)c2c(C)cc(nc2Cl)Cl,0.0
67067,CO-ADD:0290329,-2.93,C(c1cccc(OCCC)c1)(O2)=Nc(c3C2=O)ccc(Br)c3,0.0
67068,CO-ADD:0290363,-2.93,n(c1ccc(cc1)F)(c2C)c(C)cc2\C=C(/C#N)\C(=O)Nc3cccc(C)c3,0.0
67069,CO-ADD:0291084,-2.93,n1(cccc1\C=C(/C=C(O2)c3ccc(c(C)c3)C)\C2=O)c4ccccc4F,0.0
67070,CO-ADD:0289367,-2.93,C(=O)(OC(C)(C)C)N(CCC1(Cc2ccccc2)\C(\N)=N\O)CC1,0.0
67071,CO-ADD:0288840,-2.93,C(N(C(=O)OC(C)(C)C)CCC1)C1C(=O)NCC#C,0.0
67072,CO-ADD:0288856,-2.93,n(cn1)(nc1[N+]([O-])=O)CC(=O)NCC#C,0.0
67073,CO-ADD:0289324,-2.93,c(C1)(c2COCc3ccccc3F)c(CCN1)n(n2)C.Cl,0.0
67074,CO-ADD:0288497,-2.93,n1(CC(CC2)CCN2)c(C)cnc1c3ccccc3,0.0
67075,CO-ADD:0288514,-2.94,n(CC1CC1)(c(C)cn2)c2CCN.Cl.Cl,0.0
67076,CO-ADD:0285712,-2.94,S(=O)(=O)(c1ccc(cc1)N=NN(C)C)NC(Cc2ccccc2)C(O)=O,0.0
67077,CO-ADD:0285745,-2.94,C(C(c1ccccc1)=O)(C2c3ccc(cc3)OC)=C(Nc4ccccc4)C(N2c5ccccc5)=O,0.0
67078,CO-ADD:0290836,-2.94,S(c1ccccc1)(=O)(=O)Oc2c(Cl)cc(c(cccn3)c23)Cl,0.0
67079,CO-ADD:0291174,-2.94,C(C(c1ccccc1)=O)(C2c(cc3)ccc3C(C)C)=C(O)C(N2CC4CCCO4)=O,0.0
67080,CO-ADD:0290998,-2.94,c1(SCCOc2ccccc2OC)[nH]c3c(ccc(Br)c3)n1,0.0
67081,CO-ADD:0291791,-2.94,C(=C/c(cc(n1c2ccc(cc2)Br)C)c1C)(/C(=O)OC(O3)(C)C)\C3=O,0.0
67082,CO-ADD:0287927,-2.94,c12c(nnc(SCC(=O)Nc3sc(c(CCN4C)c3C(OCC)=O)C4)n1)c(c5n2C)cc(cc5)Br,0.0
67083,CO-ADD:0287943,-2.94,C(N(CC)CC)(=S)SCC(=O)c1cccc(cccc2)c12,0.0
67084,CO-ADD:0287367,-2.94,C(=C/c(cc1Br)cc(c1OCc(cc2)ccc2F)Br)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
67085,CO-ADD:0287336,-2.94,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Br)=C(O)C(N2CC4CCCO4)=O,0.0
67086,CO-ADD:0287680,-2.94,N12C(S\C(=C\c3cccc(O)c3)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(Br)c(cc4OC)OC,0.0
67087,CO-ADD:0287673,-2.94,N12C(S\C(=C\c(ccc(c3OC)OCC)c3)\C1=O)=NC(C)=C(C(C)=O)C2c4ccccc4OC,0.0
67088,CO-ADD:0286103,-2.94,c1(\C=N\NC(=O)c2cccc(OC)c2)c3c(cccc3)cc(cccc4)c14,0.0
67089,CO-ADD:0286847,-2.94,c1(C(O)=O)nn(cc1Br)C,0.0
67090,CO-ADD:0285192,-2.94,n1c(SCCCC)nsc1NC(C)=O,0.0
67091,CO-ADD:0291516,-2.94,c1(c(ccc(c2NC(=O)c3cc(c4o3)cccc4)Cl)c2)oc(c5n1)cccc5,0.0
67092,CO-ADD:0290414,-2.94,S(C)(=O)(=O)N(Cc(cc1)ccc1C(=O)Nc(cc2)ccc2C(C)=O)c3ccc(c(C)c3)C,0.0
67093,CO-ADD:0292201,-2.94,C(=O)(C1=O)Nc(c12)ccc(I)c2,0.0
67094,CO-ADD:0294652,-2.94,[nH]1c(CC)nnc1SCC(=O)Nc2cc(on2)C,0.0
67096,CO-ADD:0293487,-2.94,c1(c2c(sc1NC(=O)C(F)(F)F)CCCCC2)C(=O)Nc3ccccc3,0.0
67097,CO-ADD:0294645,-2.95,c12n(c3c(cccc3)n1)c4c(CCCC4)s2,0.0
67098,CO-ADD:0292984,-2.95,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c(ccs4)c4,0.0
67099,CO-ADD:0293238,-2.95,c12c(cc(cc1C(c3ccccc3)=O)Cl)C4C(C(C(C)C)N2)CC=C4,0.0
67100,CO-ADD:0293911,-2.95,C(=O)(c(cc1)ccc1C2CCCCC2)Nc3ccc(cn3)Br,0.0
67101,CO-ADD:0295930,-2.95,c1(C2c3ccccc3F)c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
67102,CO-ADD:0293896,-2.95,C(/C1)(=C/c(ccc(c23)OCO2)c3)\C(=O)\C(\CC1C(C)(C)CC)=C\c(ccc(c45)OCO4)c5,0.0
67103,CO-ADD:0294964,-2.95,[N+](=O)([O-])c1cccc(c1)COc2c3c(cccc3)c(nn2)C,0.0
67104,CO-ADD:0299448,-2.95,[N+](=O)([O-])c1ccc(c2c1cccn2)NCCCN(CC3)CCO3,0.0
67105,CO-ADD:0299265,-2.95,C(NC(CC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C#N)CCCCC2,0.0
67106,CO-ADD:0290720,-2.95,S(=O)(=O)(N(CC1)CCN1C(c2ccccc2)c3ccccc3)c4c(C)ccc(c4)[N+](=O)[O-],0.0
67107,CO-ADD:0287449,-2.95,C(=N\c(cc1)ccc1OC)(/SC(C(=O)N(CC2)CCN2c3ccccc3)CC4=O)\N4C,0.0
67108,CO-ADD:0287883,-2.95,n1c(N2CCCCC2)nc(nc1N(CC3)CCN3c4cccc(Cl)c4)OC(C(F)(F)F)C(F)(F)F,0.0
67109,CO-ADD:0278370,-2.95,C(=N\OC(=O)Nc1ccccc1)(/c2c(S3)cccc2)\S3,0.0
67110,CO-ADD:0258395,-2.95,N1(c2ccc(cc2)I)C(=O)C(C(C1=O)C34CO)C(c(c35)cccc5)c(c46)cccc6,0.0
67111,CO-ADD:0258435,-2.95,N1(c(cc2)ccc2C(OC)=O)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
67112,CO-ADD:0258855,-2.95,S(C)(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)N\N=C(/C)\C(C)(C)C,0.0
67113,CO-ADD:0279128,-2.95,S(=O)(=O)(c1ccc(cc1)OC)Nc2ccc(c(C)c2C)O,0.0
67114,CO-ADD:0283329,-2.95,N12C(S\C(=C\c(c3c([nH]4)cccc3)c4)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(Br)c(cc5OC)OC,0.0
67115,CO-ADD:0259833,-2.95,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(cc4)ccc4C(C)C,0.0
67116,CO-ADD:0260217,-2.95,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
67117,CO-ADD:0259449,-2.95,c1(NC(CSc2nccn2C)=O)nnc(CC)s1,0.0
67118,CO-ADD:0278137,-2.95,C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)([N+](=O)[O-])c(nc(NN)nc1C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])n1,0.0
67119,CO-ADD:0283306,-2.95,n12c(ccc(N(CC3)CCN3c4nc(NC(C)(C)C)nc(NC(C)(C)C)n4)n1)nnn2,0.0
67120,CO-ADD:0286790,-2.95,N(C(=O)\C(\S1)=C\c2ccccn2)=C1N(CC3)CCO3,0.0
67121,CO-ADD:0299973,-2.95,n1(c2ccccc2)c(SCC(=O)NCc3ccco3)nnc1c4ccc(cc4)Cl,0.0
67122,CO-ADD:0286799,-2.95,C1(C=CC(c2c1cccc2N(C)C)=O)(C3c4ccccc4)C(c5ccccc5)c(c(c6c7N(C)C)c3cc7)ccc6N(C)C,0.0
67123,CO-ADD:0289206,-2.95,n1c(c(cccn2)c2)onc1C(C3)CN3.Cl,0.0
67124,CO-ADD:0288499,-2.95,S(C)(=O)(=O)N(CCC1n(c(C)cn2)c2C)CC1,0.0
67125,CO-ADD:0288828,-2.95,c1(sccc1)C(NCC#C)=O,0.0
67126,CO-ADD:0289218,-2.95,C(C(CC)(C#N)C1)CNC1.Cl,0.0
67127,CO-ADD:0288469,-2.95,c1(c(cc2)ccn2)ncc(C)n1C(C3)CCN3.Cl.Cl.Cl,0.0
67128,CO-ADD:0291993,-2.95,c1(C(F)(F)F)nc(sc1c2ccc(cc2)F)Nc(ccc(c3Cl)Cl)c3,0.0
67129,CO-ADD:0290493,-2.95,C(=CC(\C=C\c1c(C)cc(c(C)c1)C)=NC2=O)(C(F)(F)F)N2,0.0
67130,CO-ADD:0290541,-2.95,n1(c2ccccc2F)nnnc1SCc3ccccc3Cl,0.0
67131,CO-ADD:0292197,-2.95,n1(c2cc(C)ccc2OC(=O)c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3C)nc4c(cccc4)n1,0.0
67132,CO-ADD:0291789,-2.95,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc4c(cc5)c(C)cc5[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
67133,CO-ADD:0291622,-2.95,c12c(n(c(SC\C=C(\C)/Cl)n1)CCCC)C(NC(=O)N2C)=O,0.0
67134,CO-ADD:0287981,-2.95,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CCCC2=O)C3c4cccs4,0.0
67135,CO-ADD:0290470,-2.95,c1(S(CCC)(=O)=O)c2n(c(C(=O)c3ccc(cc3)OC)c1S(CCC)(=O)=O)cccc2N,0.0
67136,CO-ADD:0291046,-2.95,S(=O)(=O)(c1c(OC)ccc(Cl)c1)n2c(C)ncc2[N+](=O)[O-],0.0
67137,CO-ADD:0285427,-2.95,c12c(c(n[nH]1)c3ccc(cc3)C)C(N(c4ccccc4)C2=O)c5ccccc5F,0.0
67138,CO-ADD:0287228,-2.95,C(=N\c1ccccc1)(/N(N(C)C)C(=C2Oc(cc3)ccc3[N+](=O)[O-])c4ccccc4)\S2,0.0
67139,CO-ADD:0287612,-2.96,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)NCCc(cc3)ccc3Cl,0.0
67140,CO-ADD:0289110,-2.96,c1(C(=O)Nc(cc2)ccc2OC)sc(nn1)CCC(O)=O,0.0
67141,CO-ADD:0292125,-2.96,c1(Br)ccc(\C=C\C(=O)c2cccs2)o1,0.0
67142,CO-ADD:0287651,-2.96,C(/S\C(\N1C2CCCCC2)=N/c3c(O)ccc(cccc4)c34)(\C1=O)=C(/Sc(c56)ccc(OC)c5)\N6C,0.0
67143,CO-ADD:0287381,-2.96,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c(ccs5)c5)C6=C2CCCC6=O)C#N,0.0
67144,CO-ADD:0286417,-2.96,C(/SC(N1CC(O)=O)=S)(\C1=O)=C(/Sc(c23)ccc(OC)c2)\N3C,0.0
67145,CO-ADD:0286831,-2.96,C(=O)(NNC(=O)c1ccc(cc1)F)C(NCCOC)=O,0.0
67146,CO-ADD:0293743,-2.96,c12c(cc(cc1C(c3ccccc3)=O)Cl)C4C(C(c5ccccc5F)N2)CC=C4,0.0
67147,CO-ADD:0295967,-2.96,c12c(CCCC1C(OC)=O)c3c(ccc(Cl)c3)[nH]2,0.0
67148,CO-ADD:0294295,-2.96,S(N)(=O)(=O)c1ccc(cc1)Nc(c(cccc2)c2c(n3)c4ccccc4)n3,0.0
67149,CO-ADD:0292270,-2.96,n1(c(ccc(c2C(F)(F)F)Cl)c2)c(c3ccccc3)cc4c1CC(C)(C)CC4=O,0.0
67150,CO-ADD:0292591,-2.96,N1(CCCC)C(=O)\C(\SC1=S)=C\C=C(/Oc(c23)cccc2)\N3CC,0.0
67151,CO-ADD:0292852,-2.96,S1(=O)(=O)N(C(C)CC)C2C(OC(C(O2)O3)OC(C3N4C(C)CC)N(S4(=O)=O)C(C)CC)N1C(C)CC,0.0
67152,CO-ADD:0296074,-2.96,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccccc5C(F)(F)F)cccc4,0.0
67153,CO-ADD:0296050,-2.96,c1(nc(c2ccccc2)c(n3)c4ccccc4)n3cc(c5ccc(cc5)C)n1,0.0
67154,CO-ADD:0296042,-2.96,C1(C(OCC)=O)=C(C)N(C(=O)NC1c2cc(Cl)cc(Cl)c2OC)CCO,0.0
67155,CO-ADD:0294540,-2.96,n1(c(c2ccccc2)c(n3)c4ccccc4)c3nc(c5ccccc5)c(c6ccccc6)n1,0.0
67156,CO-ADD:0292281,-2.96,N1(CN2CCCCC2)C(=O)\C(\SC1=O)=C/c(ccc(c3OC)OCC)c3,0.0
67157,CO-ADD:0294519,-2.96,[N+](=O)([O-])c1ccc(cc1NC(C)C23CC(CC4C2)CC(C4)C3)N(CC5)CCN5C(=O)c(cc6Cl)cc(c6OC)Cl,0.0
67158,CO-ADD:0287518,-2.96,c1(N(C)C)nc(c2n1N)cccc2,0.0
67159,CO-ADD:0287816,-2.96,C1(C#N)(C#N)[C@H](c(cc2)ccc2c3ccccc3)[C@@]([H])(C4)C(C(C#N)=C1N)=CCN4C(OCC)=O,0.0
67160,CO-ADD:0287880,-2.96,n1(C)c(COc2ccccc2C)nnc1SCc3ccc(cc3Cl)C#N,0.0
67161,CO-ADD:0287205,-2.96,[nH]1c(SCC(OCC(=O)NC2CCCCC2)=O)nnc1c3ccccc3,0.0
67162,CO-ADD:0291633,-2.96,[N+](=O)([O-])c1cc(OC)c(cc1\C(\C#N)=C\N(CC2)CCO2)OC,0.0
67164,CO-ADD:0257364,-2.96,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c4ccc(cc4[N+](=O)[O-])OC)o3,0.0
67165,CO-ADD:0257884,-2.96,c(C#N)(c1c2ccccc2)c(\N=C\c3cccc(OC)c3O)oc1c4ccccc4,0.0
67166,CO-ADD:0259901,-2.96,C(/N1)(\c2c(CC1(C)C)cc(OC)c(OC)c2)=C/C(OCC)=O,0.0
67167,CO-ADD:0259646,-2.96,N1=C(NC(C)=O)S\C(=C\c(cc2)ccc2[N+](=O)[O-])\C1=O,0.0
67168,CO-ADD:0258977,-2.96,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCc(cc5)ccc5Cl,0.0
67169,CO-ADD:0258426,-2.96,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)N1)=C\c(ccc3Br)o3,0.0
67170,CO-ADD:0277722,-2.96,c1(coc(ccc(O)c2CN3CCCCC3)c12)C(=O)c4cccs4,0.0
67171,CO-ADD:0259000,-2.96,N1\C(=N\N=C\c(ccc2c3ccc(cc3)Br)o2)\SC=C1c4ccccc4,0.0
67172,CO-ADD:0259917,-2.96,[N+](=O)([O-])c1c(F)ccc(c1)NC(CSc2sc3c(ccc(N)c3)n2)=O,0.0
67173,CO-ADD:0259585,-2.96,N1(C2c3cccs3)C(S\C(=C/c(ccc4c(cccc5C(O)=O)c5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
67174,CO-ADD:0257535,-2.97,C(C(OC)=O)(=C1C)\C(=C\c(cc2)ccc2OCC)\C(N1CC=C)=O,0.0
67175,CO-ADD:0278928,-2.97,S(=O)(=O)(c1ccc(cc1)Cl)N\N=C\c(ccc(c23)OCCO2)c3,0.0
67176,CO-ADD:0286240,-2.97,N(CN(CC1)CCC1c2ccccc2)(c(cccc3)c3N4CN(CC5)CCC5c6ccccc6)C4=S,0.0
67177,CO-ADD:0288003,-2.97,C(C(=O)OCc1ccccc1)(C(c2ccc(Br)s2)N3)=C(C)N(C3=O)C,0.0
67178,CO-ADD:0291356,-2.97,n1c(N(CC2)CCN2Cc3ccccc3)c(Nc(cc4)ccc4Br)nc(non5)c15,0.0
67179,CO-ADD:0288059,-2.97,n1(Cc2ccccc2)c3c(nc1CNc4ccccc4C)cccc3,0.0
67180,CO-ADD:0290311,-2.97,C1(c2sccc2C)N(c3ccc(cc3)C)CCN1c4ccc(cc4)C,0.0
67181,CO-ADD:0299851,-2.97,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(ccc(c3OC)OC)c3)\C1=O)=O,0.0
67182,CO-ADD:0299867,-2.97,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\Nc(cc3)ccc3Br)o2)Cl)c1,0.0
67183,CO-ADD:0288869,-2.97,c(n1Cc(ccc2Cl)cc2)(ncc1C)CCCn3nc([N+](=O)[O-])nc3,0.0
67184,CO-ADD:0289352,-2.97,c1(C(=O)Nc(ccc2F)cc2)nnc(C(CCCN3)C3)s1,0.0
67186,CO-ADD:0291782,-2.97,N12C(S\C(=C\c(ccc3c4cc(Cl)ccc4Cl)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)ccc5OC,0.0
67187,CO-ADD:0290950,-2.97,c1(NC(CSc2[nH]c(c3n2)cccc3)=O)sc4c(CCC(C(C)(C)C)C4)c1C(OC)=O,0.0
67188,CO-ADD:0290535,-2.97,C(=N\c1ccccc1)(/N(CCO)C(=C2Oc(cc3)ccc3Cl)c4ccc(cc4)Cl)\S2.Br,0.0
67189,CO-ADD:0290383,-2.97,C(C#N)(C1c2ccc(c(O)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(c(Cl)c4)C,0.0
67190,CO-ADD:0290431,-2.97,C1(C(C(C)C)=O)=Cc(cccc2[N+](=O)[O-])c2OC1N(CC3)CCO3,0.0
67191,CO-ADD:0290385,-2.97,c1([nH]c(c2n1)cccc2)c3cnc(NC=O)s3.Cl,0.0
67192,CO-ADD:0286788,-2.97,C12(SCC(=O)N1c3ccc(cc3)OCCCCC)c4c(NC2=O)cccc4,0.0
67193,CO-ADD:0299963,-2.97,c1(\C(\CC2)=C\c3cccs3)c2c(c4cccs4)c(c(SCC(OCC)=O)n1)C#N,0.0
67194,CO-ADD:0287958,-2.97,c12c(occ1OC(C)=O)c(NC(C)=O)cc3c2OC(=O)C=C3C,0.0
67195,CO-ADD:0287303,-2.98,c1(c(C)on2)c2CC(C)(O)C(C(C)=O)C1c3ccc(cc3)F,0.0
67196,CO-ADD:0287241,-2.98,[B-]1(CCC)(CCC)[n+]2c(cccc2)N=C(NC3CCCCC3)N1C4CCCCC4,0.0
67197,CO-ADD:0285874,-2.98,c1(Sc2sc(c(ccc3[N+](=O)[O-])n2)c3)nnc(Cc4cccc(cccc5)c45)n1c6ccccc6.[Na+],0.0
67198,CO-ADD:0299389,-2.98,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc(Cl)cc3Cl)c3OC,0.0
67199,CO-ADD:0290321,-2.98,C(=N\c(cc1)ccc1OC(F)(F)Cl)(/SC=C2c3ccc(c(F)c3)OC)\N2CCc(cc4)ccc4S(N)(=O)=O.Br,0.0
67200,CO-ADD:0299245,-2.98,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCC3(C(N)=O)N4CCCCC4)C1=O,0.0
67201,CO-ADD:0286996,-2.98,c1(c(C)c(Cl)c(nc1Cl)Cl)C(=O)NC(=O)NCc2ccccc2Cl,0.0
67202,CO-ADD:0285668,-2.98,n1nc(c2n1OCc(cc3)ccc3[N+](=O)[O-])ccc(c2)[N+](=O)[O-],0.0
67203,CO-ADD:0295626,-2.98,N1(CCSC1c2ccco2)c3ccc(cc3)C,0.0
67204,CO-ADD:0295338,-2.98,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCC3(O)c4ccc(cc4)Br)C1=O,0.0
67205,CO-ADD:0295887,-2.98,c1(N(C)c2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1,0.0
67206,CO-ADD:0295317,-2.98,N1(c2ccccc2F)C(=O)\C(=C\Nc3ccccc3C)\C(NC1=O)=O,0.0
67207,CO-ADD:0295091,-2.98,N1(C(=O)c2ccc(cc2)OC)N=C(CC1(O)C(F)(F)F)C3CCCCC3,0.0
67208,CO-ADD:0292944,-2.98,c1(c(cccc1NC(C)=O)Cl)C(O)=O,0.0
67209,CO-ADD:0295882,-2.98,c(OC(C(F)(F)F)C(F)(F)F)(nc(NCC)nc1OC(C(F)(F)F)C(F)(F)F)n1,0.0
67210,CO-ADD:0292675,-2.98,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc2C(=O)N4C(C)CCCC4C,0.0
67211,CO-ADD:0295827,-2.98,O1C(=O)C=Cc(ccc(c2)OC(c3ccccc3)=O)c12,0.0
67212,CO-ADD:0293214,-2.98,S1(=O)(=O)c(cccc2)c2C(N(N)CCC(=O)NC(C)(C)C)=N1,0.0
67213,CO-ADD:0293415,-2.99,n1c(N(CC2)CCN2Cc3ccccc3)c(Nc4ccccc4F)nc(non5)c15,0.0
67214,CO-ADD:0292360,-2.99,C1(C)(C(=O)NNc2ccccc2)CC1(Cl)Cl,0.0
67215,CO-ADD:0286631,-2.99,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)NC(=S)NNC(=O)C(C)Oc(cc3)ccc3Br,0.0
67216,CO-ADD:0286752,-2.99,N1(C(c2ccccc2)=O)N=C(CC1(O)C(F)(F)F)C(F)(F)F,0.0
67217,CO-ADD:0286952,-2.99,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)Nc(cc5)ccc5I,0.0
67218,CO-ADD:0286600,-2.99,C(=C(\CCCCC1)/C1)(/C#N)\C(=O)Nc(cccc2C(F)(F)F)c2,0.0
67219,CO-ADD:0287009,-2.99,c1(C#N)c(C)cc(nc1Cl)Cl,0.0
67220,CO-ADD:0277517,-2.99,N1C(=O)\C(\SC1=O)=C\c(cc2)cc(c2N(C)C)Br,0.0
67221,CO-ADD:0277549,-2.99,S(=O)(=O)(Nc1nnc(C)s1)c2c(C(C)C)cc(cc2C(C)C)C(C)C,0.0
67222,CO-ADD:0279174,-2.99,C(/C(C)=O)(=N/Nc(cc1)ccc1Br)\Sc2cccc(cccn3)c23,0.0
67223,CO-ADD:0258890,-2.99,N(C(=O)\C(\S1)=C\c(cc2)ccc2Cl)=C1N(CC3)CCN3C,0.0
67224,CO-ADD:0258057,-2.99,N1(c2ccc(c(Cl)c2)Cl)C(=O)CC(N(CC3)CCN3C\C=C\c4ccccc4)C1=O,0.0
67225,CO-ADD:0258787,-2.99,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)C)SC(=NN2c6ccccc6[N+](=O)[O-])C(C)=O,0.0
67226,CO-ADD:0284650,-2.99,N(CN1CCC(CC1)C)(N=C(N2CC=C)c3ccccc3)C2=S,0.0
67227,CO-ADD:0258071,-2.99,c1(\N=C\c(ccc2c3ccc(cc3)Cl)o2)c(c4ccc(c(OCC)c4)O)nc(cccc5)n15,0.0
67228,CO-ADD:0257808,-2.99,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(cc3OC)cc(c3OCC)I,0.0
67229,CO-ADD:0283740,-2.99,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc4c5ccc(cc5)F)o4)\C1=O,0.0
67230,CO-ADD:0257960,-2.99,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCN3C(c4ccccc4)=O)C1=O,0.0
67231,CO-ADD:0283484,-3.0,c1([N+](=O)[O-])nnn(CC(C)=O)n1,0.0
67232,CO-ADD:0291081,-3.0,C(=N\OC(=O)c1cc(ccc1Cl)SC)(/c2c3cccc2)\c(cccn4)c34,0.0
67233,CO-ADD:0290282,-3.0,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3O)\N2C4CCCC4,0.0
67234,CO-ADD:0299655,-3.0,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc(OC)c(c3)OC)c3Br.Cl,0.0
67235,CO-ADD:0289348,-3.0,c1(C(=O)Nc(ccc2OC)cc2)nnc(C(CCCN3)C3)s1,0.0
67236,CO-ADD:0289261,-3.0,c1(C2)c(ccc(COCc(cc3)ccc3Cl)c1)OCCN2.Cl,0.0
67237,CO-ADD:0289285,-3.0,N1(C(CC2)CCN2C(=O)OC(C)(C)C)C(=S)NN=C1c3cnccn3,0.0
67238,CO-ADD:0289302,-3.0,C(=O)(OC(C)(C)C)N(CCCC1\C(\N)=N\O)C1,0.0
67239,CO-ADD:0289317,-3.0,C(O)(CCN1)(CC1)c(cccn2)c2,0.0
67240,CO-ADD:0291819,-3.0,C(/c1c(N2)ccc(Br)c1)(\C2=O)=C(\SC(N3c(cc4)ccc4C(O)=O)=S)/C3=O,0.0
67241,CO-ADD:0285872,-3.0,C(/C(C)=NN1c2ccccc2)(=C\c(cn(n3)c4ccccc4)c3C56CC7CC(CC(C7)C5)C6)\C1=O,0.0
67242,CO-ADD:0292180,-3.0,c1(NC(=O)\C=C\c(cc2)ccc2C(C)C)sc(c3c1C(OCC)=O)CCCC3,0.0
67243,CO-ADD:0291605,-3.0,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)Nc4ccccc4C(F)(F)F,0.0
67244,CO-ADD:0299621,-3.0,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4CC#N,0.0
67245,CO-ADD:0287937,-3.0,C1(Cl)(Cl)CC1Cc2cc(OCCO3)c3cc2[N+](=O)[O-],0.0
67246,CO-ADD:0287961,-3.0,C1(CC(C)(C)NC2=S)(CC(c3ccccc3)Oc4c1cc(Cl)c(c4)OC(C)=O)N2,0.0
67247,CO-ADD:0287377,-3.0,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5ccccc5C)C6=C2CCCC6=O)C#N,0.0
67248,CO-ADD:0287686,-3.0,C1(SC(=C2C(OC)=O)C(OC)=O)(S2)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)c4cccc(OC)c4)(C)C)=C1c(cccc5C)c35,0.0
67249,CO-ADD:0299455,-3.0,c1(cc(ccc1N(CC2)CCN2C(=O)c3cc(F)c(cc3Cl)F)C(F)(F)F)[N+](=O)[O-],0.0
67250,CO-ADD:0286585,-3.0,c1(Cl)n(c2ccccc2)nc(C)c1C(=O)Nc(c(OC)ccc3[N+](=O)[O-])c3,0.0
67251,CO-ADD:0285156,-3.0,C1(SCC(=O)Nc2cccc(cccc3)c23)=NC(c4ccccc4)CC(=O)N1,0.0
67252,CO-ADD:0299779,-3.01,N1(c2ccccc2C)C(=O)NC(\C(=C/c(cc3OC)cc(c3O)OC)\C1=O)=O,0.0
67253,CO-ADD:0287454,-3.01,c1(nnnn1c2cccc(Cl)c2)C3(CCC(CC3)C)N(C)C(CC)=O,0.0
67254,CO-ADD:0291810,-3.01,N1(CCCC(=O)NCc(cccn2)c2)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
67255,CO-ADD:0295424,-3.01,C(C(OC)=O)(NC(C)=O)(C(F)(F)F)Nc1sc(c2c1C(N)=O)CCCC2,0.0
67256,CO-ADD:0294974,-3.01,C12(C=CC(=NN1c3ccccc3)c4ccc(cc4)C)N(c5cccc(c5)[N+](=O)[O-])N=C(C(C)=O)S2,0.0
67257,CO-ADD:0294510,-3.01,c1(SCC(=O)Nc2cccc(C)c2C)nc(C)cc(C)n1,0.0
67258,CO-ADD:0295352,-3.01,c12c([nH]nc1C(C)(C)C)OC(N)=C(C#N)C2c3c(F)c(F)c(c(F)c3F)F,0.0
67259,CO-ADD:0295885,-3.01,c(OC(C(F)(F)F)C(F)(F)F)(nc(NC1CCCCC1)nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
67260,CO-ADD:0292797,-3.01,C12(c(cccc3)c3C(c4ccc(cc4)CC)(c5ccc(cc5)CC)S1)SC(=NN2c6cccc(Cl)c6C)C(C)=O,0.0
67261,CO-ADD:0294018,-3.01,c1(ccc(cc1Cl)Cl)C(=O)Nc(cc2)ccc2OCC,0.0
67262,CO-ADD:0295880,-3.01,c1(C2c3ccccc3OC(=O)N(CC4)CCO4)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
67263,CO-ADD:0295872,-3.01,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccc(cc3)OCCCC,0.0
67264,CO-ADD:0292617,-3.01,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(c(OC)c3)cc(c3[N+](=O)[O-])Cl,0.0
67265,CO-ADD:0292367,-3.01,N1(CN2CCCC(C)C2)c(ccc(c3)OC)c3OC1=O,0.0
67266,CO-ADD:0286786,-3.01,N1(CCOP(c2ccccc2)(c3ccccc3)=O)C(=O)c4c(C(C)=N1)cccc4,0.0
67267,CO-ADD:0291251,-3.01,C(/NC(=O)c(ccs1)c1)(=C\c2cccs2)\C(=O)Nc(cc3)ccc3C,0.0
67268,CO-ADD:0299479,-3.02,N1(c2ccccc2C(C)C)C(c3ccc(cc3)Cl)CC(c4ccc(cc4)Br)=N1,0.0
67269,CO-ADD:0291534,-3.02,N1(C(c2ccccc2)=O)c3c(cccc3)C(CC1(C)C)(C)c4ccc(cc4)Cl,0.0
67270,CO-ADD:0258724,-3.02,c1(NC(C)=O)nnc(COc(cc2)ccc2C(C)(C)C)s1,0.0
67271,CO-ADD:0257331,-3.02,C1(C(OCCC#N)=O)=C(C)NC(NC1c2cccc(Br)c2)=O,0.0
67272,CO-ADD:0278009,-3.02,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
67273,CO-ADD:0258403,-3.02,c1(nnc(Cc(cc2)ccc2Cl)s1)NC(=O)c3cccc(C)c3,0.0
67274,CO-ADD:0257700,-3.02,N1(c2ccccc2)C(=O)C(CC1=O)SC(=N)NC(N)=N,0.0
67275,CO-ADD:0260190,-3.02,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2OC)OC)CC(=O)N(CC3)CCN3c4ccccc4OC,0.0
67276,CO-ADD:0258122,-3.02,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C/c3c(OC)ccc(cccc4)c34)\N2,0.0
67277,CO-ADD:0285990,-3.02,O=C(C1=CC=NC=C1)N/N=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=N/NC(C3=CC=NC=C3)=O,0.0
67278,CO-ADD:0285996,-3.02,OCCC/C=N/NC(C1=CC=NC=C1)=O,0.0
67279,CO-ADD:0299161,-3.02,n(c(O)cc(n1)O)c1SCC(=O)N(CC)CC,0.0
67280,CO-ADD:0299641,-3.02,c1([nH]c(c2n1)cccc2)Sc(n3)nc(nc3Nc(cc4)ccc4C)Nc(cc5)ccc5C,0.0
67281,CO-ADD:0285891,-3.02,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4ccc(c(OCC)c4)O,0.0
67282,CO-ADD:0288657,-3.02,C(=O)(N1CCC(C1)Cn2c(COC)ncc2C)OC(C)(C)C,0.0
67283,CO-ADD:0288697,-3.02,n1(C2CCC2)c(cnc1CCNC(=O)OC(C)(C)C)C,0.0
67284,CO-ADD:0299862,-3.02,C(/C(C)=NN1c2ccccc2)(=C/c3cccc(OC)c3O)\C1=O,0.0
67285,CO-ADD:0299814,-3.02,N1(c2ccccc2C)C(=O)NC(\C(=C/c3cccc(cccc4)c34)\C1=O)=O,0.0
67286,CO-ADD:0291636,-3.02,n1c2c(cccc2)c(cc1NC3CCCCC3)C,0.0
67287,CO-ADD:0299377,-3.02,C(/C(C)=NN1c2cccc(c2)C(O)=O)(=C/C3=Cc(cccc4)c4NC3=O)\C1=O,0.0
67288,CO-ADD:0291718,-3.02,C(C1c2ccccc2)(C(C1C(O)=O)c3ccccc3)C(=O)OC(C)C,0.0
67289,CO-ADD:0289384,-3.02,N(CCC1OCCOc(ccc2F)cc2)CC1.Cl,0.0
67290,CO-ADD:0288475,-3.02,n(c(ccc(C)c1)c1)(n2)cc3c2N=CN(CC(=O)O)C3=O,0.0
67291,CO-ADD:0286085,-3.02,N1(c2ccc(cc2Br)Br)C(=O)CC(N3CC(C)CC(C)C3)C1=O,0.0
67292,CO-ADD:0286482,-3.02,c1(nnc(CCSc(cc2)ccc2Br)s1)NC(=O)c3ccc(cc3)F,0.0
67293,CO-ADD:0285535,-3.02,N1(c2c(Cl)cc(cc2Cl)Cl)C(=O)\C(\C(NC(=O)c(cccc3N4C(=O)c5c(cccc5)C4=O)c3)=N1)=C/c(ccc(c6OC)OC)c6,0.0
67294,CO-ADD:0299535,-3.02,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)OCCCl,0.0
67295,CO-ADD:0286326,-3.02,n1(c(cc2)ccc2C(C)O)cnnn1,0.0
67296,CO-ADD:0285601,-3.02,C(/S\C(\C1=O)=C/c(ccc2c3cccc(Cl)c3C)o2)(=N\C(C)=O)\N1,0.0
67297,CO-ADD:0286292,-3.02,N1(c2cccc(c2)C(=O)OCC(=O)Nc(cc3)ccc3S(N)(=O)=O)C(=O)c4c(cccc4)C1=O,0.0
67298,CO-ADD:0292059,-3.02,C(/SC(N1CC=C)=S)(\C1=O)=C(/Sc(c23)ccc(OC)c2)\N3CC,0.0
67299,CO-ADD:0292375,-3.02,C1(\N=C(\c2c(N3CN4CCCC(C)C4)cccc2)/C3=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
67300,CO-ADD:0292736,-3.02,N(CCC(N1)=O)(C(CCC)=O)c2c1cccc2,0.0
67301,CO-ADD:0292613,-3.03,N1(Nc2ccccc2)C(=O)c3c(c4C1=O)c(ccc3)cc(Br)c4,0.0
67302,CO-ADD:0294100,-3.03,C1=C(c2ccccc2)OC(C)(CCl)OC1=O,0.0
67303,CO-ADD:0295919,-3.03,c(c1c2ccccc2)(C3c4cccc(F)c4)c([nH]n1)OC(N)=C3C#N,0.0
67304,CO-ADD:0292517,-3.03,N(CCC(N1CC)=O)(C(C)=O)c2c1cccc2,0.0
67305,CO-ADD:0292319,-3.03,S1(=O)(=O)c(cccc2)c2C(NNCCC#N)=N1,0.0
67306,CO-ADD:0292313,-3.03,c1(nc(Nc(cc2)ccc2O)c(n3)Nc4ccccc4I)c3non1,0.0
67307,CO-ADD:0295562,-3.03,c1(C(NCCO)=O)nonc1N,0.0
67308,CO-ADD:0295570,-3.03,c1(NC(C)=O)nonc1C(N)=O,0.0
67309,CO-ADD:0293370,-3.03,c1(NC(=O)c(cc2OC)cc(c2OC)OC)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
67310,CO-ADD:0294139,-3.03,C1(=O)N(c2ccccc2)Nc(nc(C(C)(C)C)cc3C(F)(F)F)c13,0.0
67311,CO-ADD:0287514,-3.03,C1(C#N)(C(c2ccccc2)C3C)C(=O)NC3(CC1(C#N)C#N)O,0.0
67312,CO-ADD:0291595,-3.03,C(/C(NC)=O)(\NC(=O)c1ccc(cc1)C)=C/c2ccco2,0.0
67313,CO-ADD:0291443,-3.03,c1(c2c(sc1N)CCCC2)C(=O)Nc3ccccc3C,0.0
67314,CO-ADD:0291467,-3.03,S(=O)(=O)(c1ccc(cc1)NC(=O)c(cc2)ccc2[N+](=O)[O-])Nc3onc(C)c3C,0.0
67315,CO-ADD:0291445,-3.03,c1(NC(C)=O)sc(c(CCN2C(OCC)=O)c1C(OCC)=O)C2,0.0
67316,CO-ADD:0292151,-3.03,C(C(C)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(O)C(N1c3ccc(cc3)F)=O,0.0
67317,CO-ADD:0259913,-3.03,N1(c2ccccc2[N+](=O)[O-])C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(/C)\C,0.0
67318,CO-ADD:0259698,-3.03,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(=O)N(CC3)CCN3c4ccccc4OC,0.0
67319,CO-ADD:0257277,-3.03,n1([C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO)c3c(nc1N4CCCCC4)C(NC=N3)=O,0.0
67320,CO-ADD:0259052,-3.03,C(/CC1C)(=C/c2ccccc2)\C(=O)\C(\C1)=C\c3ccccc3,0.0
67321,CO-ADD:0257941,-3.03,N1(c2ccc(cc2)C)C(=O)\C(=C\c(cc3OC)cc(c3OCC=C)I)\C(NC1=S)=O,0.0
67322,CO-ADD:0259488,-3.03,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4OCC)OCc5cccc(cccc6)c56)c4)\C1=O,0.0
67323,CO-ADD:0259504,-3.03,C(=O)(c1ccc(cc1)OC)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3Cl,0.0
67324,CO-ADD:0257285,-3.03,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)SC,0.0
67325,CO-ADD:0259536,-3.03,C1(C(OC)=O)(Nc2c(cccc2Cl)Cl)N(c3ccccc3)C(C(O)=C1C(=O)c4ccc(cc4)C)=O,0.0
67326,CO-ADD:0259600,-3.03,C1(C(OCC)=O)C(C)(O)CC(C(C(OCC)=O)C1c2ccc(cc2OC)OC)=O,0.0
67327,CO-ADD:0283879,-3.03,C12=C(CC(c3ccccc3)CC1=O)NC(C)=C(C#N)C2c4cccc(O)c4,0.0
67328,CO-ADD:0291412,-3.03,C1(=NCC(=O)N1c2ccc(cc2Cl)Cl)Nc3nc(C)cc(C)n3,0.0
67329,CO-ADD:0291349,-3.04,C12(Nc(cccc3)c3C(=O)N1c4ccccc4)c5c(N(Cc6c(cccc6Cl)Cl)C2=O)cccc5,0.0
67330,CO-ADD:0291389,-3.04,N1(c2ccc(c(Cl)c2)NC(C)=O)C(=O)C3C(CCCC3)C1=O,0.0
67331,CO-ADD:0287749,-3.04,N1(c2ccccc2)C(=O)CC(N(CCCN3C)CC3)C1=O,0.0
67332,CO-ADD:0286242,-3.04,c(C(=O)c1ccc(cc1)Cl)(sc(c23)nc(c(C#N)c2c4ccc(cc4)OCC)N)c3N,0.0
67333,CO-ADD:0287781,-3.04,C(C#N)(C1C)=C(N)OC(CCCC2=O)=C12,0.0
67334,CO-ADD:0285473,-3.04,N1(C(C)(C)C)C(c2ccccc2OCc(cc3)ccc3Cl)N(N=C1C(C)=O)c4ccccc4,0.0
67335,CO-ADD:0299680,-3.04,c12c(CC(C)O1)c(nc(ccc(C(O)=O)c3)c23)C,0.0
67336,CO-ADD:0287886,-3.04,n1(c(cc2)ccc2C(O)=O)nnnc1SCC(OC)=O,0.0
67337,CO-ADD:0291127,-3.04,C(C(=O)c1ccc(cc1)Cl)(C2c(cccn3)c3)=C(O)C(N2c4ccccn4)=O,0.0
67338,CO-ADD:0288694,-3.04,n1(CC2CC2)c(cnc1CCNC(=O)OC(C)(C)C)C,0.0
67339,CO-ADD:0288037,-3.04,n12c(c(cn1)C#N)ncc(C#N)c2N,0.0
67340,CO-ADD:0287815,-3.04,c1(OC(N)=C(C2c3cccc(OC)c3)C#N)c2c([nH]n1)CCC,0.0
67341,CO-ADD:0291372,-3.04,c1(ncn2CC(c3ccccc3)=O)c2C(N(C)C(=O)N1C)=O,0.0
67342,CO-ADD:0286201,-3.04,S(=O)(=O)(N(CC1)CCO1)c2csc(C(=O)Nc3ccccc3Cl)c2,0.0
67343,CO-ADD:0291414,-3.04,C1(=NCC(=O)N1c2cc(Cl)cc(Cl)c2)Nc3nc(C)cc(C)n3,0.0
67344,CO-ADD:0291535,-3.04,N(C(c1ccccc1)=O)(c2c3cccc2)C(C)(C)CC3(C)c4cccc(Br)c4,0.0
67345,CO-ADD:0286890,-3.04,N(C(=O)\C(\S1)=C/c2cc(Br)ccc2OC)=C1N(CC3)CCO3,0.0
67346,CO-ADD:0286836,-3.04,C1(Cl)(Cl)C(C1CC2)CCC3C2C3C(=O)Nc4cccc(cccc5)c45,0.0
67347,CO-ADD:0287028,-3.04,c(nn(c12)c(C)cc(C)n1)(n2)S(=O)(=O)NC(C)(C(C)C)C(N)=O,0.0
67348,CO-ADD:0286860,-3.04,c1(N(CC2)CCN2C(=O)c3ccc(cc3)OCCCC)sc(c4n1)cccc4,0.0
67349,CO-ADD:0286900,-3.05,C12(c(cccc3)c3C(c4ccc(cc4)Cl)(c5ccc(cc5)Cl)S1)SC(=NN2c6ccccc6C)C(C)=O,0.0
67350,CO-ADD:0290924,-3.05,c1(scc(c2ccc(cc2)Cl)n1)N3CCC(c4ccccc4)C3,0.0
67351,CO-ADD:0285412,-3.05,N1(CN(CC2)CCN2c3ccc(cc3)F)c(cccc4)c4\C(=N\c5ccccc5)\C1=O,0.0
67352,CO-ADD:0299198,-3.05,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)NCc3ccc(cc3Cl)Cl,0.0
67353,CO-ADD:0291777,-3.05,N1(C(=O)c(cccc2[N+](=O)[O-])c2)N=C(CC1(O)c3ccc(cc3)Cl)C,0.0
67354,CO-ADD:0286532,-3.05,c1(c(N)ncnc1N2CCCC2)[N+](=O)[O-],0.0
67355,CO-ADD:0294548,-3.05,C1(C(OCC)=O)=C(NCCCCCCCC)c2c(cccc2)NC1=O,0.0
67356,CO-ADD:0293157,-3.05,C12(C#N)C(CCCC3)C3(OC1=N)OC(CC)C2(C#N)C#N,0.0
67357,CO-ADD:0295596,-3.05,C(C(c1ccccc1)=O)(C2c3ccc(c(OC)c3)O)=C(O)C(N2CCOC)=O,0.0
67358,CO-ADD:0293567,-3.05,C(=O)(c1cccs1)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
67359,CO-ADD:0293460,-3.05,C1(C(F)(F)F)(C(F)(F)F)C=C(C)N(C(N)=C1C#N)c(cc2)ccc2S(N)(=O)=O,0.0
67360,CO-ADD:0293739,-3.05,c(C=O)(c(cccc1)c1n2CCOc3ccccc3F)c2,0.0
67361,CO-ADD:0293593,-3.05,n1(c2ccccc2)c(COc3ccccc3)nnc1SCC(=O)Nc(cc4)ccc4NC(C)=O,0.0
67362,CO-ADD:0292817,-3.05,c1(ccc(cc1Cl)Cl)C(=O)N(CC2)CCN2c(cc3)c(F)cc3[N+](=O)[O-],0.0
67363,CO-ADD:0293668,-3.05,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5ccc(c(OC)c5)OC)cccc4,0.0
67364,CO-ADD:0293212,-3.05,C1(=S)N(c2ccccc2)NC(CC(C)CC3(C)C)(C3)N1,0.0
67365,CO-ADD:0293401,-3.05,N1(c(cccc2N3C(=O)C(CC3=O)Sc4nc(c5cccs5)cc(C(F)(F)F)c4C#N)c2)C(=O)C(CC1=O)Sc6nc(c7cccs7)cc(C(F)(F)F)c6C#N,0.0
67366,CO-ADD:0293327,-3.05,S(=O)(=O)(c1ccc(cc1)C)OC2C(COS(=O)(=O)c3ccc(cc3)C)OC(C(OC(=O)Oc4ccccc4)C2OC(=O)Oc5ccccc5)OC,0.0
67367,CO-ADD:0318726,-3.05,N1(Cc(ccc(c23)OCO2)c3)\C(=N\CC)\SC(C(=O)Nc4ccccc4)CC1=O.C(=N\Cc(ccc(c56)OCO5)c6)(/SC(C(=O)Nc7ccccc7)CC8=O)\N8CC,0.0
67368,CO-ADD:0318814,-3.05,c1(NC(=O)C(C)Oc(ccc(c2C)Cl)c2)sc(c3c1C(OCC)=O)CCCC3,0.0
67369,CO-ADD:0319355,-3.05,C(F)(F)(F)c(ccc(c1NC(=O)c(cccn2)c2)Oc(ccc(c3Cl)Cl)c3)c1,0.0
67370,CO-ADD:0319980,-3.05,N1(CC(CC1C2)(C)CC2(C)C)C(=O)c(cc3)ccc3NC(=O)C(c4ccccc4)c5ccccc5,0.0
67371,CO-ADD:0304489,-3.05,c1(c(C)ccc(c1)NC(COc2ccc(cc2Cl)Cl)=O)N(C)C,0.0
67372,CO-ADD:0300694,-3.05,C(C#N)(C1c2ccc(cc2)OC(=O)c3cccs3)=C(N)OC(CCCC4=O)=C14,0.0
67373,CO-ADD:0301190,-3.05,N1(C2c3ccc(cc3)F)C(S\C(=C\c4cc(c5[nH]4)cccc5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
67374,CO-ADD:0300681,-3.06,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cccc5C(F)(F)F)c5)cccc4,0.0
67375,CO-ADD:0300282,-3.06,N1(c2ccccc2)C(=O)NC(\C(=C/c(cco3)c3)\C1=O)=O,0.0
67376,CO-ADD:0301043,-3.06,C(=N/O)(/C(=N\O)/O1)\C(c(cc2)ccc2[N+](=O)[O-])=N1,0.0
67377,CO-ADD:0304506,-3.06,S1(=O)c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2C(=O)N1c3ccccc3,0.0
67378,CO-ADD:0300824,-3.06,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Nc(ccc(c4s5)nc5SCC)c4,0.0
67379,CO-ADD:0305344,-3.06,C(=C\C1=Nc(cccc2)c2C(=O)N1C)(/c(cc(Br)cc3)c3N4C)\C4=O,0.0
67380,CO-ADD:0304153,-3.06,C(C(OC)=O)(=CN(Cc1ccccc1)C=C2C(OC)=O)C2c3cc(F)ccc3F,0.0
67381,CO-ADD:0304161,-3.06,C1(C(=O)OC(C)C)=C(C)NC(NC1c(cc(OCC)c(c2[N+](=O)[O-])O)c2)=O,0.0
67382,CO-ADD:0303936,-3.06,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c(ccs3)c3,0.0
67383,CO-ADD:0302681,-3.06,S1(=O)(=O)c(cccc2)c2C(N(N)CCC(=O)NC3CCCCC3)=N1,0.0
67384,CO-ADD:0303001,-3.06,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Nc(cc4)cc(c45)ccc(C)n5,0.0
67385,CO-ADD:0303689,-3.06,N1(Cc2c(cccc2Cl)Cl)c(cccc3)c3\C(=C(/C#N)\c4[nH]c(c5n4)cccc5)\C1=O,0.0
67386,CO-ADD:0305573,-3.06,N1(c2ccc(cc2)NC(CCC)=O)C(N(N=C1C(C)=O)c3ccc(cc3)Cl)c4c5c([nH]c4)cccc5,0.0
67387,CO-ADD:0306319,-3.06,c1(NC(COc2ccc(cc2F)F)=O)n(C)c3c(cccc3)n1,0.0
67388,CO-ADD:0306924,-3.06,c12c(CCNC1c3cccc(I)c3)cc(c(OC)c2)OC,0.0
67389,CO-ADD:0306916,-3.06,c1(noc(COc(cc2C)cc(c2Cl)C)n1)c3nonc3N,0.0
67390,CO-ADD:0305627,-3.06,C(C#N)(C(c1ccc(cc1)C)CC(N2)=O)=C2SCC(=O)Nc3sccn3,0.0
67391,CO-ADD:0307194,-3.06,c12c(CC(C)(C)CC1=O)n(c(C)c2CC(Cl)(Cl)Cl)CCCC,0.0
67392,CO-ADD:0311081,-3.06,n(c1c(n2)cccc1)(c3N)c2c(c(c4cccc(O)c4)c3C#N)C#N,0.0
67393,CO-ADD:0307266,-3.06,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c5ccccn5)O1,0.0
67394,CO-ADD:0312236,-3.06,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c(cc5OC)cc(c5OC)OC,0.0
67395,CO-ADD:0312241,-3.06,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(Cl)c4)Cl,0.0
67396,CO-ADD:0312263,-3.06,C1(NC(CCC1[N+](=O)[O-])=O)c2cccc(OC)c2OC,0.0
67397,CO-ADD:0320096,-3.06,c1(C(=O)Nc2ccccc2)sc(c3c1N)cc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
67398,CO-ADD:0321406,-3.06,s1c(SCC(=O)Nc(cc2)ccc2OC(F)(F)F)nnc1SCC(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
67399,CO-ADD:0320879,-3.06,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)Br)n1Cc5ccco5,0.0
67400,CO-ADD:0320744,-3.06,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(c(OC)c3)O,0.0
67401,CO-ADD:0324285,-3.06,c12c(CCNC1c3ccc(cc3)CC)cc(c4c2)OCCO4.Cl,0.0
67402,CO-ADD:0323215,-3.06,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/NCC(CC3)CCN3,0.0
67403,CO-ADD:0319330,-3.06,[N+](=O)([O-])c(ccc(n1)SCC(=O)Nc2c(C)cccc2C)c1,0.0
67404,CO-ADD:0321021,-3.07,N1(CC(=O)N(CC)CC)C(=O)N(C(=O)N1CC(=O)N(CC)CC)c2ccccc2,0.0
67405,CO-ADD:0321542,-3.07,N1(CCc(ccc(c2OCC)OCC)c2)C(=O)C(CC1=O)NCCc(cc3)ccc3S(N)(=O)=O,0.0
67406,CO-ADD:0318945,-3.07,[N+](=O)([O-])c(cccc1C(=O)N\C(\C(O)=O)=C\c2ccco2)c1,0.0
67407,CO-ADD:0324063,-3.07,c1(C(=O)Nc(cc2)ccc2OC)c(CCC(C3)C(C)(C)C)c3sc1NC(=O)c(cc4)ccc4C(C)(C)C,0.0
67408,CO-ADD:0318946,-3.07,[N+](=O)([O-])c(cccc1C(=O)N\C(=C\c2ccco2)\C(=O)Nc3ccccc3)c1,0.0
67409,CO-ADD:0324370,-3.07,N12C(S\C(=C/c(ccc3c4ccccc4[N+](=O)[O-])o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
67410,CO-ADD:0324866,-3.07,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OC)OCCOc4ccccc4CC=C)c3)\C2=N,0.0
67411,CO-ADD:0324411,-3.07,N1(c2ccc(c3c2)OCO3)C(=O)\C(\SC1=N)=C\c4ccc(cc4F)F,0.0
67412,CO-ADD:0319199,-3.07,c1(NC(=O)c2ccccc2Br)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
67413,CO-ADD:0319495,-3.07,[N+](=O)([O-])c1cccc(Cl)c1CSc2sc3c(ccc(OCC)c3)n2,0.0
67414,CO-ADD:0319551,-3.07,c(C(=O)Nc1ccc(cc1C(c2ccccc2)=O)Cl)(sc(c34)nc(cc3c5cccs5)C(F)(F)F)c4N,0.0
67415,CO-ADD:0319584,-3.07,c1(c2ccco2)c3c(CCC3)nc(ccc(cccc4)c45)c15,0.0
67416,CO-ADD:0319499,-3.07,C(NCCOc1ccccc1Cl)(=O)c2ccc(cc2)CSC3CCCCC3,0.0
67417,CO-ADD:0320400,-3.07,C1(c2ccccc2)(CC1)NC(=O)NC(C)C34CC(CC5C3)CC(C5)C4,0.0
67418,CO-ADD:0319009,-3.07,C1(NCCc(cc(c(OCC)c2)OCC)c12)c3c(cccc3F)Cl,0.0
67419,CO-ADD:0320464,-3.07,n1(c2ccccc2)c(SCC(=O)Nc(cccc3[N+](=O)[O-])c3)nnc1c4ccco4,0.0
67420,CO-ADD:0318770,-3.07,S(NCCOc1ccccc1)(=O)(=O)c(ccc(c2[N+](=O)[O-])C)c2,0.0
67421,CO-ADD:0324518,-3.07,c12c(ccc(OC)c1OC)C(OC2=O)Nc(cc3)ccc3OC(F)(F)F,0.0
67422,CO-ADD:0320441,-3.07,N12C(S\C(=C/c(ccc3c4cccc(F)c4)o3)\C1=O)=NC(c(c5c(CCCC5)s6)c26)=O,0.0
67423,CO-ADD:0304730,-3.07,c1(ccc(cc1Cl)Cl)C(=O)Nc(ccc(c23)COC2=O)c3,0.0
67424,CO-ADD:0300426,-3.07,C1(=S)N(NC(c2ccccc2)=O)C(C(=O)N1c3ccc(cc3)Cl)CC(=O)Nc4cc(Cl)cc(Cl)c4,0.0
67425,CO-ADD:0302543,-3.07,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cccc5[N+](=O)[O-])c5)cccc4,0.0
67426,CO-ADD:0302659,-3.07,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Nc(cc3)ccc3Cl)n1c4ccc(cc4)Cl,0.0
67427,CO-ADD:0303470,-3.07,C(C(C#N)C#N)(C#N)(C#N)C(C(C)C)C(C)=O,0.0
67428,CO-ADD:0302892,-3.07,C(=C\c(cc1)ccc1OCCCC)/C(=O)c(cc2)ccc2c3ccccc3,0.0
67429,CO-ADD:0304338,-3.07,n1c(c2ccc(cc2)NC(CCCC)=O)csc1c3ccccc3,0.0
67430,CO-ADD:0304252,-3.08,c12c(ccc(C(C)(C)C)c1)OC(CC2c3ccccc3)=O,0.0
67431,CO-ADD:0301768,-3.08,c1(c2cc(Br)ccc2OC)nc(c3n1C)c4c(c(cccc5)c35)cccc4,0.0
67432,CO-ADD:0302791,-3.08,n1(c2c(n3)cccc2)c3S\C(=C/c4cc(Cl)cc(Cl)c4OCc5ccccc5F)\C1=O,0.0
67433,CO-ADD:0303073,-3.08,c1(c2ccccc2Cl)noc(C)c1C(NCCOc3cc(C)ccc3C(C)C)=O,0.0
67434,CO-ADD:0303054,-3.08,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/c2ccccc2)\C(O)c3ccccc3)[N+](=O)[O-],0.0
67435,CO-ADD:0301980,-3.08,N#Cc1ccccc1OCC(=O)Nc2ccccc2,0.0
67436,CO-ADD:0302646,-3.08,C(=O)(Nc1ccc(c(cccn2)c12)Br)c3c(cccc3OC)OC,0.0
67437,CO-ADD:0310824,-3.08,c12c(C(N(C)C(=O)N1C)=O)n(c(Br)n2)CC(=O)c3cccc(OC)c3,0.0
67438,CO-ADD:0310887,-3.08,c1(N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCc(ccc(c4OC)OC)c4)sc(c(ccc5[N+](=O)[O-])n1)c5,0.0
67439,CO-ADD:0312087,-3.08,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C/c3cccc(OC)c3OC,0.0
67440,CO-ADD:0311900,-3.08,c12c(c3c(cccc3)OC1=O)nc(c(cccn4)c4)nc2NC(CC)=O,0.0
67441,CO-ADD:0305729,-3.08,C(C(=O)OCC1CCCO1)(C2c(cc3)ccc3C(F)(F)F)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
67442,CO-ADD:0305520,-3.08,C(=S)(N(CC1)CCN1c(cc2)c3c(c2[N+](=O)[O-])cccn3)NC(=O)c4ccc(cc4)Cl,0.0
67443,CO-ADD:0307045,-3.08,C(O)(c1ccc(cc1)F)(c2ccc(cc2)F)C#CCO,0.0
67444,CO-ADD:0306323,-3.08,c1(NC(COc2ccc(cc2F)F)=O)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
67445,CO-ADD:0305964,-3.08,n1c(c2ccccc2)csc1CC(N)=S,0.0
67446,CO-ADD:0311949,-3.08,C(=O)(Nc(cc1)ccc1C(=O)N(C)C)c(c2)cc(cn2)Br,0.0
67447,CO-ADD:0312171,-3.08,S(=O)(=O)(NCc(cc1)ccc1C(O)=O)c2cccc(nsn3)c23,0.0
67448,CO-ADD:0312534,-3.08,[C@@H]1(C2)O[C@](CN3Cc4ccccc4)([C@]2(C)C3=O)[C@H]([C@H]15)N=NN5c6ccccc6[N+]([O-])=O,0.0
67449,CO-ADD:0307168,-3.08,N1(CCC2)N2C1c3ccccc3,0.0
67450,CO-ADD:0319690,-3.08,C1(C2c3ccc(cc3)F)=C(CC(c4ccc(cc4)OC)CC1=O)Nc(c5N2C(CCCCC)=O)cccc5,0.0
67451,CO-ADD:0320698,-3.08,S(=O)(=O)(c1ccc(cc1)F)Nc2ccccc2OCCCC,0.0
67452,CO-ADD:0319835,-3.08,c1(ccccc1Cl)C(NCCOCc2ccccc2)=O,0.0
67453,CO-ADD:0320548,-3.08,C(C(N)c1ccco1)C(O)=O,0.0
67454,CO-ADD:0324799,-3.08,c12c(cnn1c3ccccc3)C(N(C)C=N2)=O,0.0
67455,CO-ADD:0323280,-3.08,c1(NC(=O)C(OC)(F)C(F)(F)F)sc(c(CCN2Cc3ccccc3)c1C(OCC)=O)C2,0.0
67456,CO-ADD:0324528,-3.08,C12=C(CC(C)(C)CC1=O)Nc(ccc3c4cccn3)c4C2c5ccc(c(OC)c5)OCc6ccccc6,0.0
67457,CO-ADD:0323281,-3.08,C(OC)(F)(C(F)(F)F)C(=O)Nc(cc1)cc(c12)ccc(C)n2,0.0
67458,CO-ADD:0323153,-3.08,c1(C#N)c(C)c(Cl)c(nc1SCc2ccccc2)C,0.0
67459,CO-ADD:0324722,-3.08,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5ccc(cc5)F)cccc4,0.0
67460,CO-ADD:0321075,-3.08,C(C(OC)=O)(=CN(CCOC(C1)(CC(CC12)CC3C2)C3)C=C4C(OC)=O)C4c(ccc(c56)OCO5)c6,0.0
67461,CO-ADD:0321083,-3.08,c1(C2c3ccc(cc3)F)c([nH]nc1C45CC6CC(CC(C6)C4)C5)OC(N)=C2C#N,0.0
67462,CO-ADD:0323272,-3.08,c1(SCC(NCCC(CC(CC2C3)CC34)(C4)C2)=O)sc(c5n1)ccc(Cl)c5,0.0
67463,CO-ADD:0320324,-3.08,N1(c2ccc(cc2)OC(F)(F)Cl)\C(=N\C)\SC(C(=O)Nc3ccccc3Cl)CC1=O,0.0
67464,CO-ADD:0319877,-3.08,c1(N(C)C)nc(Nc(cc2)ccc2OC(F)(F)Cl)nc(NC(C)(C)C)n1,0.0
67465,CO-ADD:0320550,-3.08,C(F)(F)(F)Oc(cc1)ccc1NN,0.0
67466,CO-ADD:0320543,-3.08,N1(CCc(ccc(c2OCC)OCC)c2)C(=O)CC(N(CC3)CCN3c4ccc(cc4)F)C1=O,0.0
67467,CO-ADD:0323984,-3.08,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c2ccc(c(cccc3)c23)OCC,0.0
67468,CO-ADD:0320732,-3.09,N1(c2cccc(Cl)c2)C(c3ccc(c4c3)OCO4)C(C1=O)Oc5ccccc5C,0.0
67469,CO-ADD:0320002,-3.09,S(=O)(=O)(N(CCCC)CCCC)c1ccc(c2c1cccn2)OC,0.0
67470,CO-ADD:0319401,-3.09,N(c1ccc(cc1)OC)(C(=O)c(cc2)ccc2n3cnnn3)C4(CCCC4)C(=O)Nc5c(C)cccc5C,0.0
67471,CO-ADD:0319539,-3.09,C1(C(OC)=O)C(CNC1=O)c2ccc(c(OCC)c2)OCC,0.0
67472,CO-ADD:0318987,-3.09,[N+](=O)([O-])c1cccc(c1)NC(=O)C2CC=CCC2C(=O)N3CCCCC3,0.0
67473,CO-ADD:0318957,-3.09,c1(C(=O)N(C)C(N2C)=O)c2nc(oc(c3ccc(cc3)Br)c4)n14,0.0
67474,CO-ADD:0305280,-3.09,c1(nc(CCCC2)c2n3)n3cc(c4cccc(OC)c4)n1,0.0
67475,CO-ADD:0304576,-3.09,C(NCC)(=S)N(c1ccccc1)\N=C\c(cc2)ccc2Cl,0.0
67476,CO-ADD:0305025,-3.09,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(ccc(c3Cl)Cl)c3)C2c4ccco4,0.0
67477,CO-ADD:0304907,-3.09,N1(c(ccc(c2C(F)(F)F)Cl)c2)C=Nc(c3C1=O)cccc3,0.0
67478,CO-ADD:0304229,-3.09,c1(C(NCCOc(cc2)ccc2OC)=O)c(Cl)c3c(cccc3)s1,0.0
67479,CO-ADD:0302661,-3.09,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Nc3ccccc3OC)n1c4ccccc4OC,0.0
67480,CO-ADD:0302694,-3.09,N12C(S\C(=C\c3cccc(OC)c3)\C1=O)=N[C@](O4)(C)C(C(OC)=O)C2c5c4cccc5,0.0
67481,CO-ADD:0302828,-3.09,N1(Cc(cc2)ccc2Cl)\C(=N\c(cc3)ccc3C(OCC)=O)\SC(C(=O)Nc(cc4)ccc4OCCCC)CC1=O,0.0
67482,CO-ADD:0303283,-3.09,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc(ccc(c23)cccc2)c3,0.0
67483,CO-ADD:0302462,-3.09,N1(C2)C(SCC1=O)=NCN2c(cc3)ccc3[N+](=O)[O-],0.0
67484,CO-ADD:0302547,-3.09,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc(c4OC)OCc(cc5)ccc5Br)c4)\C1=O,0.0
67485,CO-ADD:0302950,-3.09,N1(CCC(O)=O)C(=O)\C(\SC1=S)=C/c2ccco2,0.0
67486,CO-ADD:0302958,-3.09,N1(CC(=O)N\N=C\c2ccccc2)C(=O)CN=C(c3ccccc3)c(cc(Br)cc4)c14,0.0
67487,CO-ADD:0303627,-3.09,s1c(N)nnc1SCc(cc2)ccc2C(O)=O,0.0
67488,CO-ADD:0303599,-3.09,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1cccc(Cl)c1)Nc2sc(c3c2C(N)=O)CCCC3,0.0
67489,CO-ADD:0304188,-3.09,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc(ccc(c3F)F)c3,0.0
67490,CO-ADD:0307327,-3.09,C12=C(CC(C)(C)CC1=O)Nc(c(ccc3C(c4ccccc4)=O)NC2c(c5)cc(c(O)c5C)C)c3,0.0
67491,CO-ADD:0311944,-3.09,c1(ccccc1O)C(=O)NCc2ccccn2,0.0
67492,CO-ADD:0306902,-3.09,c12c([nH]nc1c3ccc(cc3)OCCCC)OC(N)=C(C#N)C2c4c[nH]nc4c5ccc(cc5)F,0.0
67493,CO-ADD:0307446,-3.09,c1(C(N)=O)c(C)c(Cl)c(nc1Oc(cc2)ccc2F)C,0.0
67494,CO-ADD:0305797,-3.09,c1(NC(COc2cccc(C)c2C)=O)sc(c(C)c1C(OC)=O)C,0.0
67495,CO-ADD:0311781,-3.09,c12c(nnc(SCC(=O)Nc(cc3)ccc3C(OCC)=O)n1)c4c(cccc4)n2C,0.0
67496,CO-ADD:0307382,-3.09,c1(c[nH]nc1C(N)=O)[N+](=O)[O-],0.0
67497,CO-ADD:0307106,-3.1,n(c(c(cc1)ccc1C(=O)N(CC2)CCO2)c3c(c4Sc(cc5C(C)(C)C)cc(c5O)C(C)(C)C)cccc3)n4,0.0
67498,CO-ADD:0311291,-3.1,C(/NC(=O)c1ccc(cc1)Br)(=C\c2ccco2)\C(=O)Nc3ccccc3,0.0
67499,CO-ADD:0305699,-3.1,C(=C(C)NC(=C1C#N)SC)(C(=O)Nc2ccccc2C)C1c3ccco3,0.0
67500,CO-ADD:0312265,-3.1,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccs4,0.0
67501,CO-ADD:0307055,-3.1,c1(cc(F)c(cc1Cl)F)C(=O)Nc2ccccc2F,0.0
67502,CO-ADD:0306237,-3.1,C12(CS(NCCC(CC3(C)C)CC(N3)(C)C)(=O)=O)C(C)(C)C(CC1=O)CC2.Cl,0.0
67503,CO-ADD:0311274,-3.1,N1(c2ccccc2)C(=O)C(CCC)C(NC1=S)=O,0.0
67504,CO-ADD:0305977,-3.1,c1(c2ccccc2)nc(oc1c3ccccc3)SCC(=O)Nc(c4)cc(cc4C(F)(F)F)C(F)(F)F,0.0
67505,CO-ADD:0312001,-3.1,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)OC(C=C(C)OC4=O)=C24,0.0
67506,CO-ADD:0311051,-3.1,C(=N/N=C(\C)/C(/C)=N\N=C(\N1)/c2c(CC1(C)C)cc(OC)c(OC)c2)(/N3)\c4c(CC3(C)C)cc(OC)c(OC)c4,0.0
67507,CO-ADD:0307176,-3.1,N1C(C)(C)CC(CC1(C)C)NCc2ccccc2O,0.0
67508,CO-ADD:0320381,-3.1,C(NCCOc(cc1)ccc1OC)(=O)c2ccc(cc2)C,0.0
67509,CO-ADD:0321207,-3.1,c1([nH]c(c2n1)cccc2)S(=O)(=O)CCOc3ccccc3,0.0
67510,CO-ADD:0321328,-3.1,N1(C(=O)c2cccc(C)c2)C(C)(C)C=C(c(cc(cc3)OC(=O)c4ccc(cc4)F)c13)C,0.0
67511,CO-ADD:0321192,-3.1,C(C#Cc1ccccc1)(C2=C(CCCC2=O)O)C3=C(CCCC3=O)O,0.0
67512,CO-ADD:0319288,-3.1,c12c(c(ccc1Cl)C)ncc(C(OCC)=O)c2O,0.0
67513,CO-ADD:0321201,-3.1,c1(SCCOc2ccccc2)n(CC)c3c(cccc3)n1,0.0
67514,CO-ADD:0321209,-3.1,n(CCOc(cc1)ccc1C)(c(ncnc2N)c2n3)c3S,0.0
67515,CO-ADD:0323258,-3.1,N1(CCCCCC(=O)Nc(c(OCC)c2)cc(c2NC(c3ccccc3)=O)OCC)C(=O)c(c4C1=O)cccc4,0.0
67516,CO-ADD:0324675,-3.1,C1(=Cc(c2OC1c3ccc(c(OC)c3)OCC)cc(cc2OC)Br)[N+](=O)[O-],0.0
67517,CO-ADD:0323261,-3.1,C1(NCCc(cc(c(OCC)c2)OCC)c12)c3c(cccc3O)OC.Cl,0.0
67518,CO-ADD:0320785,-3.1,N1(C(C)C)CC(CC1=O)C(=O)Nc(ccc(c2[N+](=O)[O-])F)c2,0.0
67519,CO-ADD:0323872,-3.1,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(ccc(c5Cl)Cl)c5)c2,0.0
67520,CO-ADD:0323000,-3.1,n1(CC(=O)N(Cc2ccco2)C3(CCCCC3)C(=O)Nc(cc4)ccc4OC)nnnc1N,0.0
67521,CO-ADD:0323064,-3.1,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(c4ccccc4)cc(n1)C(F)(F)F,0.0
67522,CO-ADD:0324236,-3.1,S(=O)(=O)(NC(CC)C12CC3CC(CC(C3)C1)C2)c4cccc(nsn5)c45,0.0
67523,CO-ADD:0320428,-3.1,c1(N(CC2)CCN2C34CC(CC5C3)CC(C5)C4)nc(NC)nc(OCC(F)(F)F)n1,0.0
67524,CO-ADD:0321134,-3.1,C(=O)(C1CC=CCC1C(O)=O)NC(c2ccccc2)c3ccc(cc3)OC,0.0
67525,CO-ADD:0305261,-3.1,N(Cc1ccco1)(C(C)(C)C(=O)Nc2ccccc2C)C(=O)C(C)Oc3c(Cl)cc(c(Cl)c3)Cl,0.0
67526,CO-ADD:0300676,-3.1,C(C(OCCOCC)=O)(C1c(cc2)ccc2c3ccccc3)=C(C)NC(CCCC4=O)=C14,0.0
67527,CO-ADD:0300936,-3.11,N(Cc(cc1)ccc1C(C)C)(C2)C(=O)CC2C(=O)Nc(cc3)ccc3OCC=C,0.0
67528,CO-ADD:0303152,-3.11,C(=C/c(cc1)ccc1OCCBr)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
67529,CO-ADD:0301238,-3.11,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(C)o4,0.0
67530,CO-ADD:0304079,-3.11,N1(CC(=O)Nc(cccc2C(F)(F)F)c2)C(=O)CN(c3ccccc3)C1=O,0.0
67531,CO-ADD:0301242,-3.11,C(C(=O)OCc(cc1)ccc1OC)(=C(C)NC(=C23)CCCC2=O)C3c4ccccc4C,0.0
67532,CO-ADD:0302619,-3.11,N1(c2ccc(cc2)C)C(\C=C\c(cc3)ccc3OC)=Nc(c4C1=O)cccc4,0.0
67533,CO-ADD:0304142,-3.11,c1(OC)c(OC)cc(cc1Br)C=O,0.0
67534,CO-ADD:0303568,-3.11,c1(Nc(cc2)ccc2[N+](=O)[O-])nc(Cl)nc(Cl)n1.O,0.0
67535,CO-ADD:0301649,-3.11,c1(NC(=O)c(cc2)ccc2S(=O)(=O)N(CCC)CCC)sc(c3c1C(OCC)=O)CCC3,0.0
67536,CO-ADD:0301413,-3.11,n(c(ccc(c12)cccc1)c23)c(c4ccc(cc4)OCC)c(c35)CCCC5,0.0
67537,CO-ADD:0301861,-3.11,c1(C(=O)Nc2ccccc2SC)c(Cl)c3c(cccc3)s1,0.0
67538,CO-ADD:0303227,-3.11,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(cc5)Br)cccc4,0.0
67539,CO-ADD:0304141,-3.11,c1(OCC)c(OC)cc(cc1Br)C=O,0.0
67540,CO-ADD:0311237,-3.11,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
67541,CO-ADD:0311293,-3.11,c1(c(Cl)ccc(Cl)c1)NC(=O)CN2CCCCC2,0.0
67542,CO-ADD:0311260,-3.11,C(/SCC1=O)(=N/C(c2ccccc2)=O)\N1c3ccccc3Cl,0.0
67543,CO-ADD:0305398,-3.11,N1(C(=O)c2c(cccc2)C1=O)c3nnc(SCC(=O)Nc4cccc(C)c4C)s3,0.0
67544,CO-ADD:0305850,-3.12,c1(NC(=O)C(C)Oc2ccccc2Br)sc(c3c1C#N)CCC3,0.0
67545,CO-ADD:0307107,-3.12,n12c(nc(C)cc1C)nnc2C(F)(F)F,0.0
67546,CO-ADD:0307556,-3.12,C(C(OC)=O)(=CN(C(C)c1ccccc1)C=C2C(OC)=O)C2c3ccc(c(Cl)c3)Cl,0.0
67547,CO-ADD:0312293,-3.12,c1(SCC(=O)Nc(cc2)ccc2CC)nnnn1C,0.0
67548,CO-ADD:0307538,-3.12,c(NC(=O)c1cccs1)(s2)c(C(OCC)=O)c(c2C(=O)N3CCCC3)C,0.0
67549,CO-ADD:0311428,-3.12,n(c(cccc1)c12)c(SCC(N)=O)c(n2)SCC(N)=O,0.0
67550,CO-ADD:0311540,-3.12,C(NCCCN(CC1)CCO1)(=S)Nc2ccccc2C,0.0
67551,CO-ADD:0307540,-3.12,C(C(OCCc1ccccc1)=O)(C2c3ccc(cc3)OC(C)=O)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
67552,CO-ADD:0306990,-3.12,C(OC)(F)(C(F)(F)F)C(=O)Nc(ccc(c1Br)C)c1,0.0
67553,CO-ADD:0312291,-3.12,n1(c2ccccc2)c(SCC(=O)Nc3c(C)cccc3C)nnc1c4ccco4,0.0
67554,CO-ADD:0311067,-3.12,n1(c2c(C)cc(cc2C)C)nnnc1SCC(=O)Nc(cc3)ccc3C(OCC)=O,0.0
67555,CO-ADD:0311039,-3.12,c1(cc(OCO2)c2cc1[N+](=O)[O-])C3CC(=O)Nc(cc(C)c(C)c4)c34,0.0
67556,CO-ADD:0310927,-3.12,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c4cccc(C)c4,0.0
67557,CO-ADD:0320234,-3.12,c12c(c(cc(C)n1)C)C(NS2)=O,0.0
67558,CO-ADD:0320242,-3.12,c1(c(Cl)c(Cl)c(nc1Cl)Cl)C(=O)Nc2c(C)cccc2C,0.0
67559,CO-ADD:0323467,-3.12,c1(NC(CCCCCN2C(=O)c3c(cccc3)C2=O)=O)sc(c4c1C#N)CC(CC4)C,0.0
67560,CO-ADD:0323594,-3.12,[nH]1c(SCCOc(cc2)ccc2C(C)=O)nc3c1ncnc3N,0.0
67561,CO-ADD:0323730,-3.12,c12c(CCNC1C)c3c(cccc3)[nH]2,0.0
67562,CO-ADD:0323634,-3.12,C1(C)(Cc(cc2)ccc2Br)C(=O)OC(C(C)(C)C1=O)c3ccc(cc3)Cl,0.0
67563,CO-ADD:0321037,-3.12,c1(C(OC)=O)c(C(OC)=O)[nH]nc1C(=O)c2c(Cl)ccc(Cl)n2,0.0
67564,CO-ADD:0319191,-3.12,c1(NC(COc2cccc(Br)c2)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
67565,CO-ADD:0319120,-3.12,S(=O)(=O)(N(C)C)c(cc1)ccc1C(=O)NCc(cc2)ccc2OC,0.0
67566,CO-ADD:0319145,-3.12,c1(cc(Cl)ccc1NC(CSc2nc(C)cc(n2)C(F)(F)F)=O)C(c3ccccc3)=O,0.0
67567,CO-ADD:0323793,-3.12,N#Cc1ccccc1OCC(NCCc2ccccc2)=O,0.0
67568,CO-ADD:0324329,-3.12,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(cc(OCO3)c3c4)c4Cl,0.0
67569,CO-ADD:0324282,-3.12,c12c(CCNC1c3ccc(cc3C)C)cc(c(OCC)c2)OCC.Cl,0.0
67570,CO-ADD:0324290,-3.12,S1(=O)(=O)c2c(c3N1CC(NCCc(ccc(c4OCC)OCC)c4)=O)c(ccc2)ccc3,0.0
67571,CO-ADD:0324331,-3.12,c12c(C(N(C)C(=O)N1C)=O)n(c(SCc(nc(N)nc3N(CC4)CCO4)n3)n2)Cc5ccccc5C,0.0
67572,CO-ADD:0320137,-3.13,N1C(C)(C)CC(CC1(C)C)NCc2ccco2,0.0
67573,CO-ADD:0300352,-3.13,c12c(n(c(Cl)n1)CC)C(N(C)C(=O)N2C)=O,0.0
67574,CO-ADD:0304700,-3.13,c1([N+](=O)[O-])nn(c(N(CC)CC)n1)C,0.0
67575,CO-ADD:0304526,-3.13,C(=C(C)NC(=C1C#N)SCC(=O)c2ccc(cc2)Br)(C(=O)Nc3ccccc3C)C1c4cccc(F)c4,0.0
67576,CO-ADD:0304527,-3.13,c1(C#N)c(CC)c2c(nc1SCC(OCc3ccccc3)=O)CCCCCC2,0.0
67577,CO-ADD:0305040,-3.13,c1(cc(c2o1)cccc2)C(=O)Nc(cc3)ccc3Cc(cc4)ccn4,0.0
67578,CO-ADD:0304149,-3.13,c1(c(OC)ccc(OC)c1)NC(=O)Cc2cccc(cccc3)c23,0.0
67579,CO-ADD:0303601,-3.13,o1c(c(cc2)ccn2)nnc1SC(C)C(OC)=O,0.0
67580,CO-ADD:0303586,-3.13,S1(=O)(=O)c(cccc2)c2C(=O)N1CC(c3ccccc3)=O,0.0
67581,CO-ADD:0304184,-3.13,N1(CCOc2cc(C)ccc2C(C)C)C(=O)c(c3C1=O)cccc3,0.0
67582,CO-ADD:0301307,-3.13,c(c1C(C)C)(C2c3ccc(c(Br)c3)F)c([nH]n1)OC(N)=C2C#N,0.0
67583,CO-ADD:0303619,-3.13,N1(c2ccc(cc2)OC)C(=O)\C(=C(/CC)\NC(C)CCCN(CC)CC)\C(NC1=O)=O,0.0
67584,CO-ADD:0302085,-3.13,N1(c(cc2)ccc2C(OCC)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccc(cc4C(O)=O)Br,0.0
67585,CO-ADD:0301955,-3.13,S1C(C)(CC(=O)NCc2ccccc2)NN=C1c3ccc(cc3)C,0.0
67586,CO-ADD:0303255,-3.13,c1(cc(ccc1N(CC2)CCC2C(OCC)=O)[N+](=O)[O-])C(=O)Nc3cc(OC)cc(cccn4)c34,0.0
67587,CO-ADD:0301484,-3.13,C(=O)(NC(C)(C)Cc1ccc(cc1OC)O)CC(OCC)=O,0.0
67588,CO-ADD:0304360,-3.13,C(NC(CC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c(CCN2C)c1C(OC)=O)C2,0.0
67589,CO-ADD:0302404,-3.13,C(=C(\Oc(cc1)ccc1C(O)=O)/C(F)(F)F)(/C(F)(C(F)(F)F)C(F)(F)F)\C(F)(C(F)(F)F)C(F)(F)F,0.0
67590,CO-ADD:0312227,-3.13,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(c(OC)c3OC)OC,0.0
67591,CO-ADD:0310827,-3.13,N(CC1)(CCN1c2ccc(cc2F)C(CCC)=O)C(CCC)=O,0.0
67592,CO-ADD:0311866,-3.13,c1(c2C(C)C)c([nH]n2)OC(N)=C(C#N)C1c3c[nH]nc3c4ccc(cc4)F,0.0
67593,CO-ADD:0311867,-3.13,c1(c[nH]nc1c2ccc(cc2)F)C3C4=C(CC(c5ccccc5)CC4=O)OC(N)=C3C#N,0.0
67594,CO-ADD:0311851,-3.13,C(S(C)(=O)=O)(C1c2ccccc2)=C(O)C(N1CCN)=O,0.0
67595,CO-ADD:0306856,-3.13,c1(Cl)c(cc(cc1C(C)(C)C)Sc2cc(c(c3n2)cccc3)C#N)C(C)(C)C,0.0
67596,CO-ADD:0312455,-3.13,c1(Nc(cc2)ccc2OC(F)(F)Cl)nc(NC)nc(NCc3ccccc3)n1,0.0
67597,CO-ADD:0311994,-3.13,C(=O)(NNC(C)Cc1ccccc1)C(O)(Cc2ccccc2)Cc3ccccc3,0.0
67598,CO-ADD:0306278,-3.13,C1(CC(=O)Nc(cc(C)c(C)c2)c12)c3ccc(c(OC)c3OC)OC,0.0
67599,CO-ADD:0306869,-3.13,N1(c2c(cccc2)Sc(ccc(Cl)c3)c13)C(=O)CN(CC4)CCN4CCO,0.0
67600,CO-ADD:0306862,-3.13,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(c(OC)c5)OC)c24,0.0
67601,CO-ADD:0306134,-3.13,C1(C#N)(C#N)C(c(cc2)ccc2C(C)C)C(C3)C(C(C#N)=C1N)=CCS3,0.0
67602,CO-ADD:0307469,-3.13,C(C(OC)=O)(=CN(C(C)c1ccccc1)C=C2C(OC)=O)C2c3cccc(OC)c3OC,0.0
67603,CO-ADD:0312234,-3.13,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccccc3OCCCC,0.0
67604,CO-ADD:0312099,-3.13,S(=O)(=O)(c1ccc(cc1)C)NCC(c2ccccc2)Nc3cccc(Cl)c3,0.0
67605,CO-ADD:0312047,-3.13,c1(c2)c(cc(OC)c2NC(COc(ccc(c34)cccc3)c4)=O)c5c(cccc5)o1,0.0
67606,CO-ADD:0305694,-3.13,C(=C(C)NC(=C1C#N)SCC(=O)c2ccc(cc2)F)(C(=O)Nc3ccccc3C)C1c4ccco4,0.0
67607,CO-ADD:0311369,-3.13,C(C(OC)=O)(NC(C)=O)(C(F)(F)F)Nc1sc2c(ccc(OCC)c2)n1,0.0
67608,CO-ADD:0323874,-3.14,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5O)c2,0.0
67609,CO-ADD:0323161,-3.14,c1(C2OCCS2)c3c(n(c4ccccc4)n1)cc(cc3SCc5ccco5)[N+](=O)[O-],0.0
67610,CO-ADD:0323233,-3.14,c1(nn(c2n1)c(C)cc(C)n2)S(=O)(=O)N(CC=C)CC=C,0.0
67611,CO-ADD:0323561,-3.14,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)NC3CCCCC3C,0.0
67612,CO-ADD:0323306,-3.14,n1c(Cl)c(Cl)c(c(Cl)c1N(CC2)CCCN2)C#N.Cl,0.0
67613,CO-ADD:0320895,-3.14,c(cc(SC(F)(F)F)cc1[N+](=O)[O-])([N+](=O)[O-])c1N(CC2)CCN2,0.0
67614,CO-ADD:0324245,-3.14,c1(c(OC)cc(c2c1)cccc2)C(=O)NC(CC)C34CC(CC5C3)CC(C5)C4,0.0
67615,CO-ADD:0320207,-3.14,N1(C2CC2)C(C)(O)C(OC1=O)(CC3(C)C)CC(N3)(C)C,0.0
67616,CO-ADD:0320477,-3.14,c1(cccc(C)c1C)NC(CSCC(=O)Nc(ccc(c23)cccc2)c3)=O,0.0
67617,CO-ADD:0319981,-3.14,N(c1ccc(cc1)OC)(C(=O)c(cc2)ccc2n3cnnn3)C4(CCCCC4)C(=O)Nc(cc5)ccc5OC,0.0
67618,CO-ADD:0319372,-3.14,c1(C2c(cc3OC)cc(c3OC)OC)c([nH]nc1c4ccc(c(OC)c4)OCC)OC(N)=C2C#N,0.0
67619,CO-ADD:0320101,-3.14,C1(C2c(cc3)ccc3C(OC)=O)=C(CC(c4ccco4)CC1=O)Nc(c5N2C(C)=O)cccc5,0.0
67620,CO-ADD:0323752,-3.14,c1(C2OCCS2)c3c(n(c4ccccc4)n1)cc(cc3SCC(C)C)[N+](=O)[O-],0.0
67621,CO-ADD:0323052,-3.14,N1(CCCC1=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F,0.0
67622,CO-ADD:0323068,-3.14,c1(N2)c(c(nc(c3ccc(cc3)Cl)n1)C)C(C=C2C(OC)=O)=O,0.0
67623,CO-ADD:0324302,-3.14,S1\C(=N/N=C/c2c[nH]nc2c3ccc(cc3)F)\NCC1=O,0.0
67624,CO-ADD:0323842,-3.14,N(CCN1S(c2ccccc2)(=O)=O)(C1c(cc3)cc(c3OS(c4ccccc4)(=O)=O)OC)S(=O)(=O)c5ccc(cc5)C,0.0
67625,CO-ADD:0320305,-3.14,n1c(CCNC(=O)c(cccc2C(NCCc3scc(c4ccccc4)n3)=O)c2)scc1c5ccccc5,0.0
67626,CO-ADD:0320264,-3.14,c1(C(OCC)=O)sc(c2c1NC(CCl)=O)nc(c(Cl)c2C)C,0.0
67627,CO-ADD:0319291,-3.14,c12c(CCNC1c3ccc(c(OCC)c3)O)cc(c(OCC)c2)OCC,0.0
67628,CO-ADD:0321400,-3.14,C1(O)(c2c(N3C(C)=O)cccc2)C3N(C(=S)N1)C,0.0
67629,CO-ADD:0300944,-3.14,N1(c2ccc(c(C)c2)Br)CC(CC1=O)C(O)=O,0.0
67630,CO-ADD:0300728,-3.14,c1(cc(ccc1N(CC2)CCN2c3ccc(nn3)Cl)C(F)(F)F)[N+](=O)[O-],0.0
67631,CO-ADD:0301057,-3.14,c1(ccc(o1)C#CC(C)(C)O)C(=O)N(CC2)CCC2C(O)(c3ccccc3)c4ccccc4,0.0
67632,CO-ADD:0300713,-3.14,N1(CN2CCCC2)c(cccc3)c3\C(=N\c(ccc(c4Br)C)c4)\C1=O,0.0
67633,CO-ADD:0300506,-3.14,c1(sc(cc1C#N)C)NC(=O)c2ccco2,0.0
67634,CO-ADD:0300861,-3.14,[N+](=O)([O-])c1ccc(c(Cl)c1)NCC(C)(C)CN,0.0
67635,CO-ADD:0300445,-3.15,N1(c2ccccc2)C(=O)C(N(CCCN(CC3)CCO3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
67636,CO-ADD:0305255,-3.15,c1(C(=O)NCc(ccc2C(OCC)=O)o2)c(C)oc(C(C)(C)C)c1,0.0
67637,CO-ADD:0304090,-3.15,C1(c2ccccc2OCc(cc3)ccc3[N+](=O)[O-])N(CCN1Cc4ccccc4)Cc5ccccc5,0.0
67638,CO-ADD:0304039,-3.15,S(=O)(=O)(c(cc1)cc(c1N2CCCCC2)N)Nc(cc(cc3C(OC)=O)C(OC)=O)c3,0.0
67639,CO-ADD:0302178,-3.15,c1(c(C)c(n2)CC)n2c(c(C)c(C)n1)C,0.0
67640,CO-ADD:0303955,-3.15,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5cccc(OC)c5OC)cccc4,0.0
67641,CO-ADD:0303977,-3.15,N1(c2ccc(cc2)Cl)C(C(C)c3ccccc3)Nc(c4C1=O)cccc4,0.0
67642,CO-ADD:0303985,-3.15,N1(c(cc2)ccc2C(C)C)CC(CC1=O)C(=O)Nc(cc3)ccc3C(OCC)=O,0.0
67643,CO-ADD:0303069,-3.15,C(C(N)c(ccc(c1Cl)Cl)c1)C(OCC)=O.Cl,0.0
67644,CO-ADD:0303726,-3.15,c(c1c(s2)CCCC1)(C(=O)N(C)C(=N3)SCC(=O)NC(C)c4ccccc4)c23,0.0
67645,CO-ADD:0303703,-3.15,N1(CC(CC1=O)C(=O)Nc(cc2)ccc2Cl)c3cccc(C)c3C,0.0
67646,CO-ADD:0302779,-3.15,c12c(C(N(C)C(=O)N1C)=O)n(c(S)n2)Cc3ccc(cc3Cl)F,0.0
67647,CO-ADD:0302757,-3.15,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(O)=O)n2)Cc3cccc(Cl)c3,0.0
67648,CO-ADD:0301786,-3.15,C1(=O)N(CCCCCCNC(C)c2ccccc2)C(C)=CC(=O)N1C,0.0
67649,CO-ADD:0305822,-3.15,c1(NC(=O)c2ccc(cc2)Cl)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
67650,CO-ADD:0307077,-3.15,c(cc1C)(c(F)cc1C(C)=O)N(CC2)CCN2C(=O)c3ccc(cc3)Br,0.0
67651,CO-ADD:0307403,-3.15,c1(noc(c2cccs2)n1)c3nonc3N,0.0
67652,CO-ADD:0307141,-3.15,C(OC)(F)(C(F)(F)F)C(=O)Nc(cc(Sc1ccccc1)cc2[N+](=O)[O-])c2,0.0
67653,CO-ADD:0305478,-3.15,C(=O)(NC1CCCCCC1)c(c2)cc(cn2)Br,0.0
67654,CO-ADD:0305439,-3.15,C(=C/c(cc1)ccc1OCc2ccccc2)(/C3=O)\C(=O)OC4(CCCC4)O3,0.0
67655,CO-ADD:0306814,-3.16,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4ccc(c(OC)c4)OCCC,0.0
67656,CO-ADD:0307408,-3.16,n12c(nnc1C(F)(F)F)NC(=O)C(Oc3ccccc3)=C2C,0.0
67657,CO-ADD:0306312,-3.16,N1(c2cc(ccc2N(CC3)CCO3)C(O)=O)C(=O)C4C(C5CC4C=C5)C1=O,0.0
67658,CO-ADD:0305961,-3.16,C(C#N)(=C(SCC(OC)=O)NC(C1c2scc(c3ccccc3)n2)=N)C14CCCCC4,0.0
67659,CO-ADD:0311548,-3.16,C1(NC(Cc2ccccc2)C(O)=O)=NC(Cc(cc(OC)c(OC)c3)c13)(C)C,0.0
67660,CO-ADD:0305603,-3.16,n1(Cc2ccccc2)nnc(C#N)c1N,0.0
67661,CO-ADD:0306048,-3.16,N1(c2ccccc2)C(=O)N(N(Cc3ccccc3F)C1=O)Cc4ccccc4F,0.0
67662,CO-ADD:0311095,-3.16,C1(C2c3ccc(cc3)OC)=C(CC(C)(C)CC1=O)Nc4n2ncn4,0.0
67663,CO-ADD:0307502,-3.16,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3C(F)(F)F,0.0
67664,CO-ADD:0311330,-3.16,S(=O)(=O)(N(CC1)CCN1c2ccccc2)c3c(OCC)ccc(Br)c3,0.0
67665,CO-ADD:0311960,-3.16,S(N)(=O)(=O)c1ccc(c(NS(C)(=O)=O)c1C)C,0.0
67666,CO-ADD:0307577,-3.16,C(/C#N)(=C/c1ccc(C)o1)\C(=O)Nc2ccccc2C,0.0
67667,CO-ADD:0319864,-3.16,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCc(cc3)ccc3S(N)(=O)=O,0.0
67668,CO-ADD:0320568,-3.16,C(F)(F)(F)c(cccc1C(=O)Nc2ccccc2N)c1,0.0
67669,CO-ADD:0320136,-3.16,C1(=Cc2c(OC1c3ccc(c(OC)c3)OC)ccc(Br)c2)[N+](=O)[O-],0.0
67670,CO-ADD:0323252,-3.16,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(c4ccc(cc4)F)cc(n1)C(F)(F)F,0.0
67671,CO-ADD:0319843,-3.16,[nH]1c(cccc2)c2c(CCNC(=O)c3ccccc3F)c1C,0.0
67672,CO-ADD:0319139,-3.16,N1C(c2ccc(cc2)OCc(cc3)ccc3F)SCC1C(O)=O,0.0
67673,CO-ADD:0319059,-3.16,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CNc4cccc(Cl)c4,0.0
67674,CO-ADD:0324122,-3.16,C1(=O)N(C)Cc2c(ccc(Br)c2)N1,0.0
67675,CO-ADD:0324410,-3.16,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=N)=C/c3ccccc3[N+](=O)[O-],0.0
67676,CO-ADD:0323495,-3.16,n1(c2ccccc2C)c(CNc(cc3)ccc3Cl)nnc1SCC(=O)Nc(cc4)ccc4Br,0.0
67677,CO-ADD:0323314,-3.16,c1(Sc2c(O)nc(c3c2c4ccccc4)ccc(Cl)c3)nnc(c5ccc(c(Cl)c5)Cl)n1C6CCCCC6,0.0
67679,CO-ADD:0300458,-3.16,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(C(NCC)=O)c2,0.0
67680,CO-ADD:0300322,-3.16,S(=O)(=O)(c1ccc(cc1)CC)N2CCC(CC2)C(O)=O,0.0
67681,CO-ADD:0300851,-3.16,c1(C(NCCNC(=O)c2ccccc2Br)=O)nonc1N,0.0
67682,CO-ADD:0301051,-3.16,N1(Cc(ccc(c23)OCO2)c3)C(=O)c(c4C1(O)Cc5ccccc5)cccc4,0.0
67683,CO-ADD:0301035,-3.17,c1(SCC(=O)Nc2ccccc2SC)[nH]c(c3n1)cccc3,0.0
67684,CO-ADD:0300342,-3.17,C1(OCC(CO1)(C)c2ccccc2)(c3c(N4CN(CC5)CCN5Cc6ccccc6)cccc3)C4=O,0.0
67685,CO-ADD:0300432,-3.17,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(N(Cc3cccs3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
67686,CO-ADD:0304490,-3.17,C(=O)(COc1ccc(cc1Cl)Cl)N(CC=C)CC=C,0.0
67687,CO-ADD:0300543,-3.17,c1(NC(=O)C23CC(CC4C2)CC(C4)C3)sc(c(C)c1C(OCC)=O)C(=O)Nc5ccccc5OC,0.0
67688,CO-ADD:0304008,-3.17,C1(C(=O)OC(C)C)=C(C)NC(=O)CC1c2cc(OC)c(cc2OC)Br,0.0
67689,CO-ADD:0301341,-3.17,C(CC(C)(C)CC1=O)(Nc(ccc(c2F)C)c2)=C1,0.0
67690,CO-ADD:0302018,-3.17,c1(ccc(c(cccc2)c12)Br)Oc3ccc(cc3Cl)NC(C)=O,0.0
67691,CO-ADD:0303738,-3.17,N1(CC)C(=O)\C(=C\C=C\c2ccco2)\C(NC1=S)=O,0.0
67692,CO-ADD:0302913,-3.17,n1nn[nH]c1NCc(ccc(c2OC)OC)c2,0.0
67693,CO-ADD:0303527,-3.17,C(C(OC)=O)(=CN(Cc1ccccc1)C=C2C(OC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
67694,CO-ADD:0303631,-3.17,c1(sc(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3[N+](=O)[O-])Cl)c3,0.0
67695,CO-ADD:0301919,-3.17,C(=C\c(cc1OCC)cc(c1OCCOc2ccccc2)Br)(/C(=O)NC(N3)=O)\C3=O,0.0
67696,CO-ADD:0301952,-3.17,C(CCc1ccccn1)(CCc2ccccn2)(C3=O)C(=O)NC(=O)N3,0.0
67697,CO-ADD:0303697,-3.17,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4ccccc4C(O)=O)n1,0.0
67698,CO-ADD:0301767,-3.17,c1(c2cc(Br)ccc2O)[nH]c(c3n1)c4c(c(cccc5)c35)cccc4,0.0
67699,CO-ADD:0307571,-3.17,C1(NC(=O)\C(\C#N)=C\c(ccc2c(cc3)ccc3[N+](=O)[O-])o2)=C(C)N(N(c4ccccc4)C1=O)C,0.0
67700,CO-ADD:0312180,-3.17,S(=O)(=O)(Cc1ccccc1)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCc4ccco4,0.0
67701,CO-ADD:0307087,-3.17,c1(cccc(F)c1F)C(=O)Nc2cccc(F)c2,0.0
67702,CO-ADD:0307078,-3.17,C(=O)(N(CC1)CCN1c(cc2)c(F)cc2[N+](=O)[O-])c3ccccc3Br,0.0
67703,CO-ADD:0310774,-3.17,c(C(=O)N1CCCC1)(s2)c(C)c(c2NC(COc3ccccc3C)=O)C(OCC)=O,0.0
67704,CO-ADD:0310756,-3.17,C(C(OCC)=O)(=CN(c1cc(C)ccc1C)C=C2C(OCC)=O)C2c(ccc(c34)OCO3)c4,0.0
67705,CO-ADD:0311997,-3.17,n1nc(c2n1OCC(=O)Nc3nnc(C)s3)ccc(c2)[N+](=O)[O-],0.0
67706,CO-ADD:0312654,-3.17,C1=C[C@@H]2O[C@@]13[C@@]([C@]4(O[C@@H]5C(=C4C(OC)=O)C(OC)=O)[C@H](N([C@@H]36)C(=O)C(F)(F)F)C(c7ccccc7)C([C@H]6c8ccccc8)=O)([C@]25[H])[H],0.0
67707,CO-ADD:0306707,-3.17,N(/C(CC(C)C)C(=O)[O-])=C\c1ccccc1O.[Na+],0.0
67708,CO-ADD:0305877,-3.17,c1(NC(=O)c(cccc2[N+](=O)[O-])c2C)sc(c3c1C(OC)=O)CCCC3,0.0
67709,CO-ADD:0306744,-3.17,c1(C(=O)c2ccc(cc2)OC)oc(c3c1C)ccc(c34)C(C)=C(C(=O)O4)CCCC,0.0
67710,CO-ADD:0305825,-3.18,c1(NC(COc2cccc(C)c2C)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
67711,CO-ADD:0305884,-3.18,c([N+](=O)[O-])(nn(c1C(=O)Nc2ccccc2CC)Cc3ccccc3)c1,0.0
67712,CO-ADD:0311431,-3.18,N(Cc1ccccc1)(C(c(cc2)ccn2)=NN3CN(CC4)CCO4)C3=S,0.0
67713,CO-ADD:0311527,-3.18,C(=S)(Nc1ccccc1C)Nc2ccccn2,0.0
67714,CO-ADD:0305801,-3.18,c1(NC(COc(cccc2C(F)(F)F)c2)=O)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
67715,CO-ADD:0310871,-3.18,S(=O)(=O)(c1ccc(cc1)Br)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC(C)c4ccccc4,0.0
67716,CO-ADD:0320344,-3.18,C(=O)(Nc(cc(Sc1ccccc1)cc2[N+](=O)[O-])c2)C(C(F)(F)F)C(F)(F)F,0.0
67717,CO-ADD:0320537,-3.18,c12c(CCNC1c3cccc(OCO4)c34)cc(c(OCC)c2)OCC,0.0
67718,CO-ADD:0319905,-3.18,n1(c(cc2)ccc2C(=O)NC(CC3(C)C)CC(N3)(C)C)cnnn1,0.0
67719,CO-ADD:0320169,-3.18,n1c(c(ccc(c23)OCO2)c3)nnn1CC(=O)N\N=C\c4c[nH]nc4c5ccc(cc5)F,0.0
67720,CO-ADD:0320185,-3.18,C(F)(F)(F)c(cc1)ccc1C(=O)Nc2ccc(cc2F)OC(Cl)(F)F,0.0
67721,CO-ADD:0321012,-3.18,c1(C(=O)NCc(occ2C(O)=O)c2)c3c(oc1C)CCCC3,0.0
67722,CO-ADD:0323967,-3.18,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4ccc(c(Cl)c4OC)Cl,0.0
67723,CO-ADD:0323361,-3.18,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc5ccccc5)c2,0.0
67724,CO-ADD:0323481,-3.18,n1(c(C)nn2)c2SCC(c3ccc(cc3)CC)=N1.Br,0.0
67725,CO-ADD:0321566,-3.18,C1(=CC(OC12CCCCC2)=O)N(CC3C)CC(O3)C,0.0
67726,CO-ADD:0321569,-3.18,[n+]1([O-])cc(Cl)cc(Cl)c1N(CC2)CCN2,0.0
67727,CO-ADD:0324357,-3.18,N1(CC(=O)NC(CC2(C)C)CC(N2)(C)C)C(=O)c3c(C(c4ccc(cc4)Cl)=N1)cccc3,0.0
67728,CO-ADD:0324110,-3.18,c1(sc(c(C)c1C(OC)=O)C)NS(=O)(=O)c2ccc(cc2)C,0.0
67729,CO-ADD:0324343,-3.19,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5C)c2,0.0
67730,CO-ADD:0300371,-3.19,c12c(C(N(C)C(=O)N1C)=O)n(c(Sc3[nH]c(c4n3)cccc4)n2)Cc5ccc(cc5Cl)Cl,0.0
67731,CO-ADD:0300460,-3.19,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)Nc3ccccc3C#N,0.0
67732,CO-ADD:0305299,-3.19,C(=O)(C(O)(c1ccc(cc1)C)c2ccc(cc2)C)N(c3ccccc3)\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
67733,CO-ADD:0305300,-3.19,C(=O)(C(CCCCCCCC)(CCCCCCCC)O)NN(c1ccccc1)C(C)=O,0.0
67734,CO-ADD:0301345,-3.19,c1(C(O)=O)cc(c(cc(CC=C)c(c2OC)O)c2)nc(ccc(cccc3)c34)c14,0.0
67735,CO-ADD:0303741,-3.19,N1(c2ccccc2OC)C(=O)NC(\C(=C/c3ccc(c(cccc4)c34)OC)\C1=O)=O,0.0
67736,CO-ADD:0302860,-3.19,c1(C(=O)NCC(=O)NC(C(C)C)C(O)=O)c(C)oc(c2ccccc2)c1.Cl,0.0
67737,CO-ADD:0302560,-3.19,N1(C(C)C(O)=O)C(=O)c2c(cccc2)C1=O,0.0
67738,CO-ADD:0303771,-3.19,C(C#N)(C1CCc2ccccc2)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
67739,CO-ADD:0301871,-3.19,C1(C2c(cc3)ccc3C(F)(F)F)=C(CC(C)(C)CC1=O)Nc(ccc(cccc4)c45)c25,0.0
67740,CO-ADD:0302571,-3.19,c1(\N=C\c(cc2Br)cc(c2OCc(cc3)ccc3C)Br)n(c4ccccc4)nc(\C(\C#N)=C\c(cc5Br)cc(c5OCc(cc6)ccc6C)Br)c1C#N,0.0
67741,CO-ADD:0303151,-3.19,C(=C/c(ccc(c1OC)OCCBr)c1)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
67742,CO-ADD:0302796,-3.19,c(C(O)=O)(c1)c2c(nc1c3ccc(cc3F)F)ccc(cccc4)c24,0.0
67743,CO-ADD:0302067,-3.19,c12c(ccc(C)c1)N=C(OC2=O)\C=C\c(cc3)ccc3[N+](=O)[O-],0.0
67744,CO-ADD:0302603,-3.19,C12=C(c3c(cccc3)CC14CCCCC4)N=C(SC)NC2=O,0.0
67745,CO-ADD:0303782,-3.19,c1(C#N)c(C(CCC=C2)C2)c3c(nc1SCC(=O)c4ccc(cc4)Cl)CCC3,0.0
67746,CO-ADD:0311878,-3.19,C(C)(C)(C(=O)OC(C12CCCCC1)c3ccccc3F)C2=O,0.0
67747,CO-ADD:0311601,-3.19,C1(=NCC(C)S1)N(c2ccc(cc2)OC(F)(F)F)C(=O)Nc3ccccc3,0.0
67748,CO-ADD:0307512,-3.19,C1(C#N)(C(c2ccc(cc2)OC)CC(N3)(C(C(C)C)C1(C#N)C3=O)N4NC(N)=O)C4=N,0.0
67749,CO-ADD:0311502,-3.19,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccco3)C2c4ccc(c(O)c4)OC,0.0
67750,CO-ADD:0311217,-3.19,N(CCC(O)=O)(CCC(O)=O)c1ccccc1O,0.0
67751,CO-ADD:0311384,-3.19,c1(cc(Cl)ccc1NC(C(C)C)=O)C(O)=O,0.0
67752,CO-ADD:0306737,-3.19,S(=O)(=O)(c1cccc(c1)C(O)=O)N(CC2)CCN2S(C)(=O)=O,0.0
67753,CO-ADD:0312578,-3.19,C1=C[C@]2(O[C@H]13)[C@]([C@@]34[H])([H])[C@@]5(O[C@H]4C(C5C(O6)=O)C6=O)CSC2,0.0
67754,CO-ADD:0305451,-3.19,N1(c2cccc(Cl)c2)C(=O)\C(=C\c(cc3)ccc3N4CCCC4)\C(NC1=S)=O,0.0
67755,CO-ADD:0311284,-3.2,S(=O)(=O)(c1ccc(c2c1)cccc2)N(c3ccccc3)CC(O)CN(CC(C)C)CC(C)C,0.0
67756,CO-ADD:0305427,-3.2,[N+](=O)([O-])c1ccc(cc1)NCCN2CCOC2=O,0.0
67757,CO-ADD:0306960,-3.2,c12c(n(cn1)Cc(nc(N)nc3N(CC4)CCO4)n3)C(N(C)C(=O)N2C)=O,0.0
67758,CO-ADD:0306767,-3.2,C(C(OCCSCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c(OCc4ccccc4)c3)OC,0.0
67759,CO-ADD:0305467,-3.2,c1(NC(SC)=S)sc(c2c1C(OCC)=O)CCCC2,0.0
67760,CO-ADD:0305716,-3.2,C(C(OCC)=O)(NC(CCCC)=O)(C(F)(F)F)Nc1sc(c(CC)c1C#N)C,0.0
67761,CO-ADD:0311703,-3.2,C(/C(C)=NO1)(=C\c2cccs2)\C1=O,0.0
67762,CO-ADD:0311701,-3.2,C(c1cccs1)(Oc(ccc(c2)Cl)c2C3=O)=C3O,0.0
67763,CO-ADD:0311757,-3.2,N1(c2ccc(cc2Br)[N+](=O)[O-])C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
67764,CO-ADD:0320602,-3.2,c1(c[nH]nc1N)C(OCC)=O,0.0
67765,CO-ADD:0320531,-3.2,c1(C2c3ccc(cc3)O)c([nH]nc1C45CC6CC(CC(C6)C4)C5)OC(N)=C2C#N,0.0
67766,CO-ADD:0319915,-3.2,N1(Cc(cc2)ccc2Cl)\C(=N\c(cc3)ccc3Cl)\SC(C(=O)Nc(cc4)ccc4OC(Cl)(F)F)CC1=O,0.0
67767,CO-ADD:0319854,-3.2,c1(noc(C(C)Oc2ccc(cc2Cl)Cl)n1)c3nonc3N,0.0
67768,CO-ADD:0320334,-3.2,c1(c(C)c([nH]c1C)C#N)C2C3=C(CC(C)(C)CC3=O)OC(N)=C2C#N,0.0
67769,CO-ADD:0323130,-3.2,c1(ncccc1C(O)=O)Oc(cc2)ccc2Cl,0.0
67770,CO-ADD:0323531,-3.2,c1(ccccc1NC(=O)c2ccc(cc2)OCc3c(cccc3Cl)F)C(OC)=O,0.0
67771,CO-ADD:0324443,-3.2,S(NCCOC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4c(OC)ccc(Cl)c4,0.0
67772,CO-ADD:0321529,-3.2,n12c(cccc1Cl)nnc2c(cc3)ccc3[N+](=O)[O-],0.0
67773,CO-ADD:0321545,-3.21,N1(OC(C)=O)C(C)(C)CC(CC1(C)C)OC(c2ccccc2)=O,0.0
67774,CO-ADD:0320035,-3.21,c1(C2c(cc3OC)cc(c3OC)OC)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
67775,CO-ADD:0320092,-3.21,c1(C(OCC)=O)sc(c2c1N)cc(cc2SCCO)[N+](=O)[O-],0.0
67776,CO-ADD:0320043,-3.21,N1(CCCC1=N)c2ccccc2O,0.0
67777,CO-ADD:0319756,-3.21,S(=O)(=O)(Nc(cc1)ccc1OC(F)(F)Cl)c2c(Cl)cc(c(O3)c2)NC3=O,0.0
67778,CO-ADD:0324555,-3.21,c12c(CCNC1C(CC)CC)cc(c(OCC)c2)OCC.Cl,0.0
67779,CO-ADD:0324907,-3.21,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc(c(OC)ccc4C(F)(F)F)c4)n2,0.0
67780,CO-ADD:0319695,-3.21,C1(=C(CC(c2ccc(c(OC)c2)OC)CC1=O)Nc(c3N4C(=O)\C=C\c5ccccc5)cccc3)C4c(cccc6[N+](=O)[O-])c6,0.0
67781,CO-ADD:0320111,-3.21,s1c(SCC(NCCc2ccccc2)=O)nnc1SCC(NCCc3ccccc3)=O,0.0
67782,CO-ADD:0319775,-3.21,c1(ccccc1OCC)C(=O)NCc(ccc(c23)OCO2)c3,0.0
67783,CO-ADD:0324103,-3.21,c12c(c(c(C)s1)C)c(nc(SCC(=O)N(CC3)CCO3)n2)O,0.0
67784,CO-ADD:0324415,-3.21,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c(ccc(c4C(O)=O)Cl)c4)o3,0.0
67785,CO-ADD:0324128,-3.21,S(NCCN(CC1)CCO1)(=O)(=O)c2ccc(c(OC)c2)OC,0.0
67786,CO-ADD:0320222,-3.21,C12=C(CCCC1=O)Nc(c3C2c4sccc4C)ccc5c3ccc(n5)C,0.0
67787,CO-ADD:0300374,-3.21,C(=C\c(cccc1[N+](=O)[O-])c1)(/NC(=O)c2cccs2)\C(=O)N(CC3)CCN3C,0.0
67788,CO-ADD:0300390,-3.21,C(C)(C)(C(=O)OC(C12CCCCC1)c3ccc(cc3)Cl)C2=O,0.0
67789,CO-ADD:0304710,-3.21,n(nnn1)(C2c3ccccc3)c1NC(C)=C2C(C)=O,0.0
67790,CO-ADD:0304819,-3.21,c1(C(NCCNc(cc2)ccc2[N+](=O)[O-])=O)nonc1N,0.0
67791,CO-ADD:0304677,-3.21,C(=O)(Nc(cc1)ccc1C(C)C)C(NCCCn(ccn2)c2)=O,0.0
67792,CO-ADD:0304852,-3.21,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccccc4)n1Cc5ccccc5OC,0.0
67793,CO-ADD:0304713,-3.21,S(=O)(=O)(N1CCCC)N(CCCC)C(C12)OC(C(O3)OC(C3N4CCCC)N(S4(=O)=O)CCCC)O2,0.0
67794,CO-ADD:0301902,-3.21,c1(ccccc1NC(=O)c2ccco2)C(=O)NCc3ccco3,0.0
67795,CO-ADD:0303734,-3.21,N(C(=O)\C(\N1)=C/c2ccccc2)=C1N(CC3)CCO3,0.0
67796,CO-ADD:0301591,-3.21,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)OCC)cccc4,0.0
67797,CO-ADD:0301379,-3.21,C1(C2CC(C=C2)N1C(=O)c3cccc(F)c3)(C(F)(F)F)C(F)(F)F,0.0
67798,CO-ADD:0301546,-3.22,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC)CC)n2)CC(c3ccccc3)=O,0.0
67799,CO-ADD:0303755,-3.22,c1(SCC(=O)NC(C)(C)C)oc2c(ccc(Cl)c2)n1,0.0
67800,CO-ADD:0302744,-3.22,N1(C2c3ccc(cc3)F)C(S\C(=C\c(cc4OC)cc(c4O)Br)\C1=O)=NC(c5ccccc5)=C2C(OCC)=O,0.0
67801,CO-ADD:0301906,-3.22,c1(c2c(sc1NC(=S)Nc3ccccc3)CCCCC2)C(=O)Nc4cccc(C)c4,0.0
67802,CO-ADD:0302374,-3.22,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3Oc4ccccc4)C2c5cccs5,0.0
67803,CO-ADD:0302414,-3.22,c1(cc(Cl)cc(CNC(CCl)=O)c1O)C(O)=O,0.0
67804,CO-ADD:0301795,-3.22,c1(Oc2ccccc2F)nc(C)cc(C)n1,0.0
67805,CO-ADD:0303135,-3.22,c1(cc(OC)ccc1N(CC2)CCN2C(=O)c3ccc(cc3)C)[N+](=O)[O-],0.0
67806,CO-ADD:0311372,-3.22,C(C(OCC)=O)(C(F)(F)F)(Nc1nnc(C)s1)NC(=O)c2ccc(cc2)F,0.0
67807,CO-ADD:0311353,-3.22,C(=O)(C(C)Oc1ccc(cc1Cl)Cl)Nc2cccc(cccn3)c23,0.0
67808,CO-ADD:0311331,-3.22,S(=O)(=O)(N1CCCCC1C)c2c(Br)ccc(Br)c2,0.0
67809,CO-ADD:0311320,-3.22,S(=O)(=O)(N(CC1)CCN1c2ccccc2OCC)c3ccc(c(cccc4)c34)OCC,0.0
67810,CO-ADD:0311355,-3.22,N1=C(SCCN(CCC)CCC)NC(C(CCCCCC)=C1O)=O.Cl,0.0
67811,CO-ADD:0311744,-3.22,[N+](=O)([O-])c1ccc(cc1)COc2c(OC)cc(cc2Cl)C=O,0.0
67812,CO-ADD:0310740,-3.22,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(O)c4)OC,0.0
67813,CO-ADD:0307261,-3.22,c1(C(N)=O)c(C)c(Cl)c(nc1Cl)C,0.0
67814,CO-ADD:0307197,-3.22,c1(c(CC(Cl)(Cl)Cl)c(n2c3ccc(c(Cl)c3)C)C)c2CC(C)(C)CC1=O,0.0
67815,CO-ADD:0311091,-3.22,c1(C(OC)=O)cc(OC)c(cc1NC(=O)c2cccs2)OC,0.0
67816,CO-ADD:0310915,-3.22,[N+](=O)([O-])c1c(NCCNC(=O)\C=C\c2ccc(cc2Cl)Cl)ccc(c1)C(F)(F)F,0.0
67817,CO-ADD:0307269,-3.22,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)NC(c(cccn5)c5)O1,0.0
67818,CO-ADD:0311337,-3.22,S(=O)(=O)(c1ccc(cc1)OCC)N(CC2)CCN2C(c3ccccc3)c4ccccc4,0.0
67819,CO-ADD:0310945,-3.22,C1(C2c3ccc(cc3)OC)=C(CC(c(cccc4[N+](=O)[O-])c4)CC1=O)Nc(c5N2C(CCCCC)=O)cccc5,0.0
67820,CO-ADD:0307181,-3.22,C(C(=O)c1cccs1)(C2c3ccc(cc3)Br)=C(O)C(N2CCc4ccccc4)=O,0.0
67821,CO-ADD:0311743,-3.22,c1(OC(C)C)c(OC)cc(cc1I)C=O,0.0
67822,CO-ADD:0311699,-3.22,N1(C(=O)CSC12CCC(CC2)C(C)(C)C)c3cccc(Cl)c3,0.0
67823,CO-ADD:0305800,-3.22,c1(NC(=O)c2ccc(c(OC)c2)OC)sc(c(C)c1C(OC)=O)C,0.0
67824,CO-ADD:0320166,-3.22,C12=C(CCCC1=O)Nc(c3C2c4ccccc4C(F)(F)F)ccc5c3ccc(n5)C,0.0
67825,CO-ADD:0320302,-3.22,C1(c2ccccc2)(CC1)NC(c3ccccc3)=O,0.0
67826,CO-ADD:0320231,-3.22,c(nn(c12)c(C)cc(C)n1)(S(=O)(=O)NCc3ccccc3)n2,0.0
67827,CO-ADD:0324461,-3.22,C1(C(NCCc(ccc(c2OCC)OCC)c2)=O)=Cc(cccc3OC)c3OC1=O,0.0
67828,CO-ADD:0323574,-3.22,C(=C\c1cccn1c(cc2)ccc2S(N)(=O)=O)(/C3=O)\C(=O)OC(C)(C)O3,0.0
67829,CO-ADD:0323190,-3.22,N1(c2ccc(cc2)OCC)CC(CC1=O)C(=O)NC(C)c3ccccc3,0.0
67830,CO-ADD:0319266,-3.23,n12c(cccc1Cl)nnc2c(ccc(c34)OCO3)c4,0.0
67831,CO-ADD:0321227,-3.23,c1(cc(ccc1N(CC2)CCN2c(c(Cl)c3)ncc3C(F)(F)F)C(F)(F)F)[N+](=O)[O-],0.0
67832,CO-ADD:0319681,-3.23,C1(=C(CC(c(cc2)ccc2C(C)(C)C)CC1=O)Nc(c3N4C(CCCCC)=O)cccc3)C4c5cccs5,0.0
67833,CO-ADD:0323800,-3.23,S(=O)(=O)(Oc1ccc(cc1Cl)Cl)NC(=O)Nc(cc2)ccc2OC(F)(Cl)F,0.0
67834,CO-ADD:0324320,-3.23,n1(CC=C)c(SCC(=O)NC2CCCC2)nnc1c(cccn3)c3,0.0
67835,CO-ADD:0320871,-3.23,c12c(C(N(C)C(=O)N1C)=O)n(c(N3CCC(CC3)C)n2)CC(c4ccccc4)=O,0.0
67836,CO-ADD:0323009,-3.23,C1(c2ccccc2)(CC1)NC(=O)N(CC3)CCN3Cc4ccccc4,0.0
67837,CO-ADD:0323025,-3.23,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCN3C45CC(CC6C4)CC(C6)C5)C1=O,0.0
67838,CO-ADD:0324265,-3.23,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCCN(CC3)CCO3,0.0
67839,CO-ADD:0323510,-3.23,C1(NC(=O)c2ccc(cc2)COc3ccccc3Br)=C(C)N(N(c4ccccc4)C1=O)C,0.0
67840,CO-ADD:0304873,-3.23,c12c(n(c(N\N=C\c3ccccc3Br)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
67841,CO-ADD:0304459,-3.23,c1(cn(nc1C(NC)=O)C)[N+](=O)[O-],0.0
67842,CO-ADD:0304547,-3.23,c1(Nc(cc2)ccc2N(CC3)CCN3C)c4c(ccc(OC)c4)ncc1C(OCC)=O,0.0
67843,CO-ADD:0305004,-3.23,N1(CCC(C(C)C1)([H])O)C(C)(C)C#C,0.0
67844,CO-ADD:0304805,-3.23,C1(=O)N(CCCN2CCCC2)C(C)=CC(=O)N1C,0.0
67845,CO-ADD:0304885,-3.23,C(F)(F)(F)c(ccc(c1NN)Cl)c1.Cl,0.0
67846,CO-ADD:0305326,-3.23,C1(c2ccccc2[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(cc3)ccc3Cl,0.0
67847,CO-ADD:0302890,-3.23,[nH]1c(CCC(O)=O)ccc1c2ccccc2,0.0
67848,CO-ADD:0303507,-3.24,C(C(OC)=O)(=CN(CCc1ccccc1)C=C2C(OC)=O)C2c3ccc(cc3)Cl,0.0
67849,CO-ADD:0303643,-3.24,c1(C(CSC#N)=O)ccc(C)o1,0.0
67850,CO-ADD:0303779,-3.24,c1(C#N)c(C(CCC=C2)C2)c3c(nc1SCC(OC(C)C)=O)CCC3,0.0
67851,CO-ADD:0303462,-3.24,C1([N+](=O)[O-])=C(NC2CCCCCCC2)c3c(cccc3)OC1=O,0.0
67852,CO-ADD:0302728,-3.24,C(=C/c(cc1Br)cc(c1OCc2ccccc2F)Br)(/C(=O)NC(N3)=S)\C3=O,0.0
67853,CO-ADD:0303925,-3.24,C(C(OCC)=O)(=CN(c1ccc(cc1)F)C=C2C(OCC)=O)C2c3cccs3,0.0
67854,CO-ADD:0303886,-3.24,[N+](=O)([O-])C(CO)(COCN1C(C)(C)C)C1,0.0
67855,CO-ADD:0303995,-3.24,c1(sc(c2n1)cccc2)NC(=O)C(CC(N3c4ccc(cc4)Br)=O)C3,0.0
67856,CO-ADD:0304037,-3.24,N1(c(ccc(c2C(O)=O)N(CC3)CCO3)c2)C(=O)C(C(C4c(c56)cccc5)C1=O)C6c7c4cccc7,0.0
67857,CO-ADD:0303994,-3.24,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc(cc3)cc(c3[N+](=O)[O-])Cl,0.0
67858,CO-ADD:0306044,-3.24,N1(c2ccccc2)c(ncnc3N(CC4)CCN4c5ccccc5)c3SC1=S,0.0
67860,CO-ADD:0307306,-3.24,C(C1)(Nc(cc2)ccc2CC)=CC(CC1c3ccc(c(OC)c3)OC)=O,0.0
67861,CO-ADD:0312192,-3.24,c12c(n(c(Sc3nc(c4n3Cc5cccc(Br)c5)cccc4)n1)C)C(N(C)C(=O)N2C)=O,0.0
67862,CO-ADD:0306894,-3.24,c1(c[nH]nc1c2ccc(cc2)F)C3C4=C(CCCC4=O)OC(N)=C3C#N,0.0
67863,CO-ADD:0305883,-3.24,c1(NC(=O)c2ccc(c(OC)c2)OCc3ccccc3Cl)sc(c(C)c1C(OC)=O)C,0.0
67864,CO-ADD:0310862,-3.24,n(CCc(cc1)ccc1Cl)(c2c(c3C(C)=O)cc(O)cc2)c3C,0.0
67865,CO-ADD:0312379,-3.24,c1(C(CC(N2)=O)c(cccc3C(F)(F)F)c3)c2cc(C)c(C)c1,0.0
67866,CO-ADD:0311510,-3.24,C1(c2ccccc2OC(C)C)NC(CCC1[N+](=O)[O-])=O,0.0
67867,CO-ADD:0311393,-3.24,C(C(=O)C(C)(C)C)(C1c(cc2)ccc2[N+](=O)[O-])=C(O)C(N1CCCCCC(O)=O)=O,0.0
67868,CO-ADD:0311131,-3.24,C(C(NC)=O)(SC(N1CC)=S)=C1N,0.0
67869,CO-ADD:0306119,-3.24,C(=O)(c1ccc(cc1)F)N(CC2)CCN2c3ccc(cc3F)C(CC)=O,0.0
67870,CO-ADD:0311802,-3.24,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccc(cc3Cl)Cl)N4CCCC4)[N+](=O)[O-],0.0
67871,CO-ADD:0312235,-3.24,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c5c4)OCO5,0.0
67872,CO-ADD:0310752,-3.24,c1(C(CC(N2)=O)c3ccc(c(Cl)c3)Cl)c2cc(C)c(C)c1,0.0
67873,CO-ADD:0307273,-3.24,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c(cc5OC)cc(c5OC)OC)c24,0.0
67874,CO-ADD:0311070,-3.25,n1(c2ccc(cc2)Cl)nnnc1SCC(=O)Nc3ccccc3Cl,0.0
67875,CO-ADD:0311155,-3.25,c12n(c(c(CC(OCC)=O)c(C)n1)C)nc(C)c2C#N,0.0
67876,CO-ADD:0321547,-3.25,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCCc(ccc(c3OCC)OCC)c3,0.0
67877,CO-ADD:0321365,-3.25,c(SCCC(O)=O)(c1c2cccc1)c(CCCC)c(n2)C,0.0
67878,CO-ADD:0324580,-3.25,[nH]1c(cccc2)c2c(CCNC(=O)\C(\NC(=O)c(cc3)ccc3C(C)(C)C)=C\c4ccco4)c1C,0.0
67879,CO-ADD:0324349,-3.25,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5C(=O)N(C)C)c2,0.0
67880,CO-ADD:0324470,-3.25,N1(\C(\C)=C\C(C)=O)C(c2ccc(cc2)F)C(C3=N1)CCc(ccc(OC)c4)c34,0.0
67881,CO-ADD:0324526,-3.25,C12=C(CC(C)(C)CC1=O)Nc(c3C2c4cccc(cccc5)c45)ccc6c3cccn6,0.0
67882,CO-ADD:0324338,-3.25,S(=O)(=O)(N1CCCCC1)c2c(C)ccc(c2)c3c4c(cccc4)c(nn3)Nc(cc5)ccc5OC(F)(F)F,0.0
67883,CO-ADD:0324030,-3.25,n1c(C)scc1CN(CC2)CCN2Cc3csc(C)n3.Cl.Cl,0.0
67884,CO-ADD:0323701,-3.25,[nH]1c(cccc2)c2c(CCNC(CCl)=O)c1C,0.0
67885,CO-ADD:0319049,-3.25,C(=O)(N1CCC(CC1)C)c2c(C)cc(c(F)c2)F,0.0
67886,CO-ADD:0323550,-3.25,n(CC(=O)NCC1CCCO1)(c2c(c3\C=C(/C#N)\C(=O)N(CC4)CCN4c5ccccc5)cccc2)c3,0.0
67887,CO-ADD:0323711,-3.25,N1C(c(ccc(c2CSc3ccccn3)OC)c2)SCC1C(O)=O,0.0
67888,CO-ADD:0323615,-3.25,C(NCCC(C1)(CC(C2)CC3CC12)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4ccco4,0.0
67889,CO-ADD:0320243,-3.25,c1(c(Cl)c(Cl)c(nc1Cl)Cl)C(=O)Nc2ccccc2Br,0.0
67890,CO-ADD:0320836,-3.25,c12c(n(c(Sc3nn(cn3)Cc4ccccc4Br)n1)C)C(N(C)C(=O)N2C)=O,0.0
67891,CO-ADD:0304468,-3.25,C1(C(OC)=O)(C(OC)=O)C(c2ccccc2)CC(CC1c3ccccc3)=O,0.0
67892,CO-ADD:0304948,-3.26,N1(c(ccc(c2s3)nc3SCC(NCCOc(cc4)ccc4Cl)=O)c2)C(=O)c(c5C1=O)ccc(c5)[N+](=O)[O-],0.0
67893,CO-ADD:0304949,-3.26,N1(c(ccc(c2s3)nc3SCC(=O)Nc4c(C)ccc(Cl)c4)c2)C(=O)c(c5C1=O)ccc(c5)[N+](=O)[O-],0.0
67894,CO-ADD:0300538,-3.26,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(OCC)c3,0.0
67895,CO-ADD:0301154,-3.26,N1(C(=O)c2ccc(cc2)C)N=C(CC1(O)C3CCCCC3)C,0.0
67896,CO-ADD:0301170,-3.26,N1(c2ccc(cc2)Oc3cc(C)ccc3C(C)C)C(=O)C4C(C(CC45)C=C5)C1=O,0.0
67897,CO-ADD:0304686,-3.26,N(CCCN1Cc(cc2)ccc2OC)(Cc(cc3)ccc3OC)C1c(cccc4C(F)(F)F)c4,0.0
67898,CO-ADD:0305287,-3.26,C12(c3c(N(CC(O)=O)C1=O)cccc3)C(C#N)=C(N)Oc4c2c(CCC)n[nH]4,0.0
67899,CO-ADD:0302903,-3.26,c1(nc(C)cc2C(C)(C)C)n2ncn1,0.0
67900,CO-ADD:0301519,-3.26,c1(n2)c(ccc(OCC)c1)n[se]2,0.0
67901,CO-ADD:0304214,-3.26,C(=O)(Nc1ccccc1CC)C(=O)NC(CC2)CCC2C(C)(C)CC,0.0
67902,CO-ADD:0303763,-3.26,c1(NC(=O)\C(\C#N)=C\c(ccc2c3ccc(cc3)C)o2)cc(nn1c4ccccc4)C,0.0
67903,CO-ADD:0303489,-3.26,N(c1cccc(C)c1)(C(=O)c2ccccn2)C3(CCCC3)C(=O)Nc4c(C)cccc4C,0.0
67904,CO-ADD:0303071,-3.26,n1(N)c(SCc2ccccc2F)nnc1c3ccccc3,0.0
67905,CO-ADD:0303852,-3.26,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc(ccc(c3C(F)(F)F)Cl)c3,0.0
67906,CO-ADD:0303650,-3.26,N1(c2cccc(C)c2C)NC(NC1=S)(CCC)CC,0.0
67907,CO-ADD:0301423,-3.26,N1(c(cc2)ccc2C(C)(C)C)CC(CC1=O)C(=O)Nc3ccccc3C(OC)=O,0.0
67908,CO-ADD:0302061,-3.26,N1=C(c2ccc(cc2)F)OC(=O)c(cc(Br)cc3Br)c13,0.0
67909,CO-ADD:0302046,-3.26,[N+](=O)([O-])c1ccc(cc1)OCCOc2ccccc2\C=N/NC(=O)Nc3ccccc3,0.0
67910,CO-ADD:0302024,-3.26,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c3ccc(cc3C(F)(F)F)[N+](=O)[O-],0.0
67911,CO-ADD:0311254,-3.26,c1(ccc(Br)o1)C(=O)Nc2ccccc2C(OC)=O,0.0
67912,CO-ADD:0312166,-3.26,n1c2c(sc1c3ccc(cc3)NC(CSc4sc5c(ccc(OCC)c5)n4)=O)ccc(C)c2,0.0
67913,CO-ADD:0305609,-3.26,c1(cc[nH]n1)C(=O)NCc2ccccc2,0.0
67914,CO-ADD:0307355,-3.26,n1c(C)oc2c1cc(Br)cc2Br,0.0
67915,CO-ADD:0305601,-3.26,S(=O)(=O)(Nc1c(Cl)cc(c(Cl)c1)Cl)c2c(Cl)cc(c(Cl)c2)Cl,0.0
67916,CO-ADD:0306923,-3.26,c12c(CCNC1c3cccc(OC)c3)cc(c(OC)c2)OC,0.0
67917,CO-ADD:0306791,-3.27,C(C(OC)=O)(C1c(cc2)ccc2C(F)(F)F)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
67918,CO-ADD:0311572,-3.27,C(C(OC)=O)(C(F)(F)F)(Nc1sc(c2n1)cccc2)NC(=O)c3ccc(cc3)C,0.0
67919,CO-ADD:0307448,-3.27,c1(Oc2cccc(c2)NC(CC(C)C)=O)nc(C)cc(C)c1C#N,0.0
67920,CO-ADD:0311713,-3.27,c1(OC)cc(CO)ccc1OCc(cc2)ccc2Cl,0.0
67921,CO-ADD:0311514,-3.27,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(ccs4)c4,0.0
67922,CO-ADD:0311950,-3.27,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4cccc(C)n4,0.0
67923,CO-ADD:0307433,-3.27,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C/c3ccc(cc3Cl)Cl,0.0
67924,CO-ADD:0306153,-3.27,c1(cn[nH]c1C(=O)Nc2ccccc2[N+](=O)[O-])[N+](=O)[O-],0.0
67925,CO-ADD:0311265,-3.27,C1(c2ccccc2I)=N\C(\C(=O)O1)=C/c(ccc(c3OC)OC)c3,0.0
67926,CO-ADD:0311700,-3.27,C(=C\c(cc1)ccc1SC)(/C2=O)\C(c3ccccc3)=NO2,0.0
67927,CO-ADD:0311984,-3.27,C(=O)(C(O)(c1ccc(cc1)C)c2ccc(cc2)C)NN(C(C)=O)C(c3ccccc3)c4ccc(cc4)C,0.0
67928,CO-ADD:0323444,-3.27,S(=O)(=O)(CC(C12)CC(N1c3cccc(Cl)c3)=O)C2,0.0
67929,CO-ADD:0320610,-3.27,[N+](=O)([O-])c1c(NCCNC(=O)c2ccc(cc2)F)ccc(Cl)c1,0.0
67930,CO-ADD:0319327,-3.27,S(=O)(=O)(c1ccc(cc1)Cl)Nc(ccc(c23)c4c(cccc4)o2)c3,0.0
67931,CO-ADD:0323379,-3.27,N(c1ccc(cc1)C)(C(=O)c(cc2)ccc2n3cnnn3)C4(CCCCC4)C(=O)Nc(cc5)ccc5C,0.0
67932,CO-ADD:0323469,-3.27,N1(CCCCCC(=O)Nc2ccccc2NC(=O)c(cc3)ccc3C(F)(F)F)C(=O)c4c(cccc4)C1=O,0.0
67933,CO-ADD:0323946,-3.27,S(=O)(=O)(N(CC1)CCO1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(NCCc(c(cccc5)c5n6C)c6C)=O)=O)=N4)c2,0.0
67934,CO-ADD:0323588,-3.28,c1(C2c(cc3)ccc3C4C(C#N)=C(N)Oc([nH]nc5c6ccc(cc6)F)c45)c([nH]nc1c7ccc(cc7)F)OC(N)=C2C#N,0.0
67935,CO-ADD:0320644,-3.28,C(=N/c1cccc(OC)c1)(/SC(C(=O)Nc(cc2)ccc2OC(F)(F)Cl)CC3=O)\N3C,0.0
67936,CO-ADD:0323768,-3.28,c1(c2c(sc1NC(=O)c3ccc(cc3)Cl)CCCCC2)C(=O)Nc4c(C)cccc4C,0.0
67937,CO-ADD:0320910,-3.28,c1(cc(F)c(cc1N2CCCC2)N(CC)CC)[N+](=O)[O-],0.0
67938,CO-ADD:0320817,-3.28,n1(c2ccccc2C)c(COc3ccc(cc3Cl)Cl)nnc1S,0.0
67939,CO-ADD:0320930,-3.28,N1(c(cc2)ccc2C(C)C)CC(CC1=O)C(=O)Nc(cc3)ccc3C(C)=O,0.0
67940,CO-ADD:0320954,-3.28,c12c(cc(cc1NC(C)=O)[N+](=O)[O-])oc(c3ccccc3)c2,0.0
67941,CO-ADD:0321419,-3.28,C1(C2c3ccc(cc3)OC)=C(CC(c4ccc(cc4)Cl)CC1=O)Nc5c(ccc(Cl)c5)N2C(CCCCC)=O,0.0
67942,CO-ADD:0320955,-3.28,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])oc(c(cc3)ccn3)c2,0.0
67943,CO-ADD:0304902,-3.28,C(=C/c(cc(OC)c(c1[N+](=O)[O-])OCC)c1)(/C(C)=NN2c(cc3)ccc3S(N)(=O)=O)\C2=O,0.0
67944,CO-ADD:0304934,-3.28,c1(N(CC2)CCN2C(OCC)=O)scc(c3ccc(cc3)Cl)n1,0.0
67945,CO-ADD:0304942,-3.28,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)sc3c(ccc(c3)NC(=O)c4ccccc4C(=O)N5CCCC5)n1,0.0
67946,CO-ADD:0300699,-3.28,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(C)o4,0.0
67947,CO-ADD:0300972,-3.28,S(c1ccccc1)(=O)(=O)N2CCCC2C(NN)=O,0.0
67948,CO-ADD:0302775,-3.28,n1c2c([nH]c1SCC(O)=O)cccc2C,0.0
67949,CO-ADD:0303724,-3.28,C1(=S)NC(NN1c2ccc(cc2)Cl)(C)CCCC,0.0
67950,CO-ADD:0301428,-3.28,c1(NC(=O)CC2c3cc(OC)c(cc3OC)Br)c2ccc(cccc4)c14,0.0
67951,CO-ADD:0303206,-3.28,c1(NC(=O)c2ccco2)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
67952,CO-ADD:0303605,-3.28,c1(c(C)oc(c2ccccc2)c1)C(=O)Nc(cccc3\C=C/C(O)=O)c3,0.0
67953,CO-ADD:0304160,-3.28,C(C(OC)=O)(=CN(Cc(cc1)ccc1Cl)C=C2C(OC)=O)C2c(cc3)ccc3C(F)(F)F,0.0
67954,CO-ADD:0301595,-3.28,C1(=COc(c2C1=O)ccc(C)c2)C3Nc4c(NC(CC(c5ccc(cc5)OC)CC6=O)=C36)cccc4,0.0
67955,CO-ADD:0304091,-3.28,C(=C/c(cc1)ccc1Br)(/C2=O)\c3c(O2)ccc4c3OC(=O)C=C4C,0.0
67956,CO-ADD:0302622,-3.28,N1(c2ccc(cc2)OC)C(\C=C\c3ccccc3F)=Nc(c4C1=O)cccc4,0.0
67957,CO-ADD:0304066,-3.29,[C@@H]1([C@@]([H])(CC=C2)[C@]2([H])c3c(ccc(C(C)=O)c3)N1)c4cccc(OC)c4OC,0.0
67958,CO-ADD:0302146,-3.29,N1(c2cccc(c2)C(O)=O)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc(cc4C(O)=O)C(O)=O)c4,0.0
67959,CO-ADD:0304034,-3.29,C1(C2c3ccc(c4c3)OCO4)=C(NCCN=C1c5ccccc5)C(N2c6ccccc6)=O,0.0
67960,CO-ADD:0306042,-3.29,C1(C2=O)C(C(NC1(C)C(O)=O)c3ccccc3O)C(N2c4ccccc4)=O,0.0
67961,CO-ADD:0306192,-3.29,c1(conc1C(=O)c2ccc(cc2)Br)C(=O)c3ccc(cc3)Cl,0.0
67962,CO-ADD:0312352,-3.29,N(C(=O)\C(\S1)=C/c2ccccc2OC(C)C)=C1N(CC3)CCN3C(C)=O,0.0
67963,CO-ADD:0307047,-3.29,c1(cc(F)c(cc1N(CC2)CCN2)N3CCCC3)[N+](=O)[O-],0.0
67964,CO-ADD:0311395,-3.29,C(C(C)=O)(C1c2ccccc2)=C(O)C(N1CCN)=O,0.0
67965,CO-ADD:0305448,-3.29,N1(c2cccc(OC)c2)C(=O)\C(=C\C=C\c3ccccc3)\C(NC1=O)=O,0.0
67966,CO-ADD:0312376,-3.29,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccccc4F,0.0
67967,CO-ADD:0311117,-3.29,n1c(c2ccc(cc2)Br)csc1N(C)CCCC(O)=O,0.0
67968,CO-ADD:0306178,-3.29,c(ncnc1N)(s2)c1c(c23)CCC(C(C)(C)C)C3,0.0
67969,CO-ADD:0305894,-3.29,c1(scc(c2ccccc2)c1C(OCC)=O)NC(=O)c3ccccc3OCC,0.0
67970,CO-ADD:0312019,-3.29,c1(SCC(=O)Nc(cc2)ccc2OC(Cl)(F)F)[nH]c(c(c3)n1)ccc3[N+](=O)[O-],0.0
67971,CO-ADD:0312004,-3.29,C(C)(C)(C(=O)O1)C(=O)C(C1c2ccccc2[N+](=O)[O-])(C)C,0.0
67972,CO-ADD:0305599,-3.29,S(=O)(=O)(Nc(cc1)ccc1OC)c2c(C)cc(nc2Cl)C,0.0
67973,CO-ADD:0306082,-3.29,c1(sc(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3OC)OCC(OCC)=O)c3,0.0
67974,CO-ADD:0307274,-3.29,c(c1c(cc2)ccn2)(C3c4cc5c(cc4Br)OCO5)c([nH]n1)OC(N)=C3C#N,0.0
67975,CO-ADD:0311048,-3.29,c1(C(CC(N2)=O)c3cccc(Cl)c3)c2cc(C)c(C)c1,0.0
67976,CO-ADD:0306310,-3.29,C12(c3c(N(CC(O)=O)C1=O)cccc3)C4=C(CC(c5ccco5)CC4=O)OC(N)=C2C#N,0.0
67977,CO-ADD:0306818,-3.29,C(C(=O)OCc(cc1)ccc1OC)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(C)o4,0.0
67978,CO-ADD:0319521,-3.29,c1(C2c3ccc(c(OC)c3OC)OC)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
67979,CO-ADD:0323308,-3.29,C1(Sc2c(c3ccccc3)c4c(nc2O)cccc4)=NC(=CC(=O)N1)c5ccccc5,0.0
67980,CO-ADD:0323605,-3.29,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2F)NC3=C1C(=O)NC(N3CCc(ccc(c4OCC)OCC)c4)=O,0.0
67981,CO-ADD:0323725,-3.3,n1c(SCCC(C)C)nnc(C)c1O,0.0
67982,CO-ADD:0323365,-3.3,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc5cccc(Cl)c5)c2,0.0
67983,CO-ADD:0323791,-3.3,[N+](=O)([O-])c(cc(Sc1ccccc1)cc2NC3OCC(C(O)C3)O)c2,0.0
67984,CO-ADD:0320685,-3.3,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c(cccn3)c3)c2C,0.0
67985,CO-ADD:0320118,-3.3,C(NCCOc(cc1)ccc1Cl)(=O)\C=C\c(cc2)ccc2c3ccccc3,0.0
67986,CO-ADD:0319140,-3.3,c12c(n(c(Oc(cc3)ccc3Oc4c(Cl)ccc(Cl)n4)n1)C)C(N(C)C(=O)N2C)=O,0.0
67987,CO-ADD:0319092,-3.3,C(=O)(c1ccco1)NC(C)c(cc2)ccc2c3ccccc3,0.0
67988,CO-ADD:0320013,-3.3,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C\c(cc3)ccc3OCc4ccccc4F,0.0
67989,CO-ADD:0321118,-3.3,c1(NC(COc2ccccc2[N+](=O)[O-])=O)sc(c(C)c1C(OC)=O)C,0.0
67990,CO-ADD:0319361,-3.3,N1(C)\C(=N\C)\SC(C(=O)Nc2ccccc2)CC1=O,0.0
67991,CO-ADD:0321155,-3.3,C(/NC(CC1CC2CC3C1)(C2)C3)(\C(F)(F)F)=C(/C#N)\C#N,0.0
67992,CO-ADD:0300853,-3.3,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1N(CC2)CCN2C(c3ccccc3)c4ccc(cc4)Cl,0.0
67993,CO-ADD:0301101,-3.3,N1(c2ccccc2)C(c3cccc(OC)c3OCc4ccccc4)N(N=C1C(C)=O)c5ccccc5,0.0
67994,CO-ADD:0301141,-3.3,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c(cc2)ccc2C(OC)=O,0.0
67995,CO-ADD:0300878,-3.3,S(C)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NC(C)CCc3ccccc3,0.0
67996,CO-ADD:0301102,-3.3,C12(C(C)NCc3c(ccc(cccc4)c34)OCc5ccccc5)CC(CC6C1)CC(C6)C2,0.0
67997,CO-ADD:0300463,-3.3,S(=O)(=O)(c(ccc(c1C(=O)OCc2cccs2)C)c1)N(CC3)CCO3,0.0
67998,CO-ADD:0305336,-3.3,N1(c2cccc(OC)c2)C(=O)c3c(N=C1\C=C(\c(cc(Br)cc4)c4N5C)/C5=O)cccc3,0.0
67999,CO-ADD:0304857,-3.3,c12c(n(c(N\N=C\c3ccccc3F)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
68000,CO-ADD:0300801,-3.3,c1(NC(=O)c2cccc(OC)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OC,0.0
68001,CO-ADD:0304143,-3.3,[N+](=O)([O-])c1ccc(cc1)COc2cc(ccc2OC)C=O,0.0
68002,CO-ADD:0303600,-3.3,n1(Cc2ccccc2C)c3c(nc1C(C)O)cccc3,0.0
68003,CO-ADD:0301233,-3.3,C(C(OCCc1ccccc1)=O)(C2c3ccc(cc3)OCCC)=C(C)NC(CCCC4=O)=C24,0.0
68004,CO-ADD:0301254,-3.3,N1(c2ccc(c(Cl)c2)OC)C(=O)C(CC1=O)NCCc(ccc(c3OC)OC)c3,0.0
68005,CO-ADD:0301323,-3.3,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c(cc3)cc(c3OC(=O)c4cccs4)OC,0.0
68006,CO-ADD:0302624,-3.3,N1(c2ccc(cc2)OC)C(\C=C\c(cccn3)c3)=Nc(c4C1=O)cccc4,0.0
68007,CO-ADD:0304097,-3.3,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)O)=C(O)C(N2Cc(cccn4)c4)=O,0.0
68008,CO-ADD:0304083,-3.3,c12c(ccc3c1OC(=O)C=C3C)occ2Nc(cccc4[N+](=O)[O-])c4,0.0
68009,CO-ADD:0304059,-3.3,C(C(C)=O)(C1c2ccc(cc2Cl)Cl)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
68010,CO-ADD:0302939,-3.3,N1(c2ccc(cc2)F)C(c(cc3)ccc3N(CC4)CCO4)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
68011,CO-ADD:0303847,-3.3,N1(c2ccccc2F)CC(CC1=O)C(=O)Nc3ccccc3,0.0
68012,CO-ADD:0303525,-3.3,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c5c4)OCO5,0.0
68013,CO-ADD:0311278,-3.3,S(=O)(=O)(c1ccc(cc1)C)N(CC(O)CN(CCCC)CCCC)c2cccc(cccc3)c23,0.0
68014,CO-ADD:0305858,-3.3,N1(c2ccc(cc2)OCCCC)C(=O)C(C3C1=O)C4CC3C=C4,0.0
68015,CO-ADD:0307380,-3.31,N1(C(C)(C)C(OC)=O)CC1C(N)=O,0.0
68016,CO-ADD:0307600,-3.31,N1(c2cccc(C)c2)C(=O)NC(C(Br)=C1N)=O,0.0
68017,CO-ADD:0312117,-3.31,C(/O)(=C/C1=NCCNC(c2ccccc2)C1)\c3cc(OC)ccc3O,0.0
68018,CO-ADD:0305736,-3.31,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3[N+](=O)[O-],0.0
68019,CO-ADD:0305605,-3.31,c1(cc(cc(Nc(cc2)ccc2OC)c1\C=N\Nc3ccccc3)[N+](=O)[O-])[N+](=O)[O-],0.0
68020,CO-ADD:0306005,-3.31,c12n(c3c(cccc3)n1)c(cc(c4ccccc4)c2C#N)O,0.0
68021,CO-ADD:0312639,-3.31,[C@H]1(C([C@H](CC)[C@H](N([C@H]1c2occc2)C(C(F)(F)F)=O)c3ccco3)=O)CC,0.0
68022,CO-ADD:0312522,-3.31,c1(sccc1)S(N2C[C@](O[C@H]3C4)(C=C3)[C@@H]4C2)(=O)=O,0.0
68023,CO-ADD:0312523,-3.31,c1(S(=O)(N2C[C@](O[C@H]3C4)(C=C3)[C@@H]4C2)=O)cc([N+]([O-])=O)ccc1,0.0
68024,CO-ADD:0312492,-3.31,[C@]12(C)O[C@]3([C@@H]([C@H]1C(=O)OCC)C(N(c4ccccc4)C3)=O)[C@H]([C@H]25)O5,0.0
68025,CO-ADD:0311178,-3.31,n(CC(O)COc(cc1)ccc1I)(c2)c3c(n2)cc(C)c(C)c3,0.0
68026,CO-ADD:0311313,-3.31,C(=O)(NCc(ccc(c12)OCO1)c2)c3ccc(c(C)c3)C,0.0
68027,CO-ADD:0312494,-3.31,C1(OC(=O)C)CC(C(N(C2)c3ccc(C)cc3)=O)=C2CC1,0.0
68028,CO-ADD:0310896,-3.31,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)N(CC3)CCN3,0.0
68029,CO-ADD:0312309,-3.31,C(=O)(c1ccc(cc1)OCCCC)NC(C)c2ccc(cc2)OC,0.0
68030,CO-ADD:0311583,-3.31,N(C(=O)\C(\S1)=C/c(cc2)ccc2Br)=C1N(CC3)CCN3CC,0.0
68031,CO-ADD:0321324,-3.31,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)ccc3N(CC)CC)\C2=N,0.0
68032,CO-ADD:0321348,-3.31,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc3c4ccc(cc4Br)[N+](=O)[O-])o3)\C2=N,0.0
68033,CO-ADD:0323183,-3.31,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(ccs4)c4,0.0
68034,CO-ADD:0324047,-3.31,c1(c(F)cc(c(Cl)c1)C#N)N(CC2)CCN2C(=O)c3ccc(cc3)F,0.0
68035,CO-ADD:0324703,-3.31,n1(CC=C)c(SCC(=O)Nc2cccc(Br)c2)nnc1c3ccco3,0.0
68036,CO-ADD:0324719,-3.31,C12=C(CC(c3cccs3)CC1=O)Nc(c4NC2c5ccccc5F)cccc4,0.0
68037,CO-ADD:0323784,-3.31,c1(S\C(\F)=C(/C(F)(F)F)\C(F)(F)F)c(C)nn(c2ccccc2)c1O,0.0
68038,CO-ADD:0324032,-3.31,C(=O)(N(CC1)CCN1C(OCC)=O)c2ccccc2NC(=O)c3ccc(cc3)F,0.0
68039,CO-ADD:0321014,-3.31,c1(C(O)=O)cc(oc1CN2CCCCC2)C(C)(C)C,0.0
68040,CO-ADD:0324009,-3.31,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2c(Cl)cc(c(Cl)c2)OC,0.0
68041,CO-ADD:0324064,-3.31,c1(NC(=O)NC(=O)c(cc2)ccc2C(F)(F)F)nnc(SCC)s1,0.0
68042,CO-ADD:0319585,-3.31,c1(c2ccc(cc2)OCCC)cc(c(cccn3)c3)nc(ccc(cccc4)c45)c15,0.0
68043,CO-ADD:0319490,-3.31,N1(CC(CC1C2)(C)CC2(C)C)C(=O)c3ccc(cc3)NC(=O)c4ccc5c(c(ccc6)CC5)c46,0.0
68044,CO-ADD:0319858,-3.31,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NC3CCCCC3,0.0
68045,CO-ADD:0319609,-3.31,N1(N=C(\C(=C(/C)\NCCN(CC2)CCN2C(=O)Nc(ccc(c3Cl)Cl)c3)\C1=O)c4ccccc4)c5sc(c6n5)cccc6,0.0
68046,CO-ADD:0319106,-3.31,c1(cc(F)c(cc1Cl)F)C(=O)Nc2cccc(N)c2,0.0
68047,CO-ADD:0319114,-3.32,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(cc3)ccc3OCCCCC,0.0
68048,CO-ADD:0319024,-3.32,c1(NC(COc(ccc(c23)OCO2)c3)=O)sc(c4c1C(OCC)=O)CCCC4,0.0
68049,CO-ADD:0319418,-3.32,N1(CCc(c2c([nH]3)cccc2)c3C)C(C)(O)C(OC1=O)(C)C,0.0
68050,CO-ADD:0321565,-3.32,C1(O)(C(C)(C)O)ONC(c2ccc(cc2)OC)C1,0.0
68051,CO-ADD:0320797,-3.32,N(C)(C(=O)C(Cc1ccc(Br)s1)C(N2C)=O)C2=O,0.0
68052,CO-ADD:0323936,-3.32,N1(CC(NCCc(c(cccc2C(F)(F)F)c2[nH]3)c3C)=O)C(=O)c4c(C(C)=N1)cccc4,0.0
68053,CO-ADD:0300856,-3.32,N(CC1)(C(C)CN1c(cc2)ccc2[N+](=O)[O-])C(=O)c3ccc(cc3)C,0.0
68054,CO-ADD:0300880,-3.32,S(C)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NC3CC3,0.0
68055,CO-ADD:0305263,-3.32,C(=O)(C(C)(C)NC=O)NC(C(C)(C)C)\C=C\c1ccc(cc1Cl)Cl,0.0
68056,CO-ADD:0304777,-3.32,N(=C(/C)\C)/NC(Cc(cc1)ccc1N)=O,0.0
68057,CO-ADD:0304078,-3.32,N(C1)(C2=O)C(C(N2C3)N(C4=O)CN3C5CCCCC5)N4CN1C6CCCCC6,0.0
68058,CO-ADD:0303983,-3.32,N1(c2ccc(cc2)O)CC(CC1=O)C(=O)NCc(cc3)ccc3Cl,0.0
68059,CO-ADD:0304254,-3.32,C(C=CC(N1)=O)(=C1)C(=O)NCc(cc2)ccc2C(C)C,0.0
68060,CO-ADD:0303975,-3.32,N1(c2ccc(cc2)OCc3ccccc3Cl)CC(CC1=O)C(NCCc(ccc(c4OC)OC)c4)=O,0.0
68061,CO-ADD:0302135,-3.32,N(c(ccc(c1)OC(C)=O)c12)=C(c(cc3)ccc3C(C)(C)C)OC2=O,0.0
68062,CO-ADD:0302043,-3.32,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C\c(ccc(c3OC)OCCSCC(OCC)=O)c3)\C1=O)=O,0.0
68063,CO-ADD:0303039,-3.32,c1(N=NC(COCO2)(C2)[N+](=O)[O-])nonc1N,0.0
68064,CO-ADD:0303747,-3.32,N1(c2ccc(cc2)OCC)C(=O)NC(\C(=C/c(cc3OC)cc(c3OC)OC)\C1=O)=O,0.0
68065,CO-ADD:0303924,-3.32,c(cc(OC)c(c1OC)OC)(c1Br)C2NC(CCC2[N+](=O)[O-])=O,0.0
68066,CO-ADD:0303282,-3.32,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc2ccccc2OC,0.0
68067,CO-ADD:0302393,-3.32,c(C(=O)NC=N1)(n2)c1[nH]n2,0.0
68068,CO-ADD:0303231,-3.32,[N+](=O)([O-])c1ccccc1C(CC2=O)c3c(N2)cccc3,0.0
68069,CO-ADD:0311666,-3.32,c1(c2ccccc2Cl)nnn(CC(=O)Nc3ccccc3C(F)(F)F)n1,0.0
68070,CO-ADD:0311380,-3.32,c(C(OC)=O)(s1)c(OCCO2)c2c1C(OC)=O,0.0
68071,CO-ADD:0307065,-3.33,C(=O)(c1ccc(c(F)c1)F)N(CC2)CCN2c(cc3C)c(F)cc3C(C)=O,0.0
68072,CO-ADD:0307081,-3.33,c1(cc(F)c(cc1N2CCCCC2)N(CC3)CCO3)[N+](=O)[O-],0.0
68073,CO-ADD:0312116,-3.33,c1(c2c(n(C)c1c3ccccc3)cccc2)C4Nc(ccc(c56)cccc5)c6C(CC(C)(C)CC7=O)=C47,0.0
68074,CO-ADD:0310804,-3.33,c1(C2c(cc3OC)cc(c3OC(=O)N(CC4)CCO4)Cl)c([nH]nc1c5ccc(cc5)OC)OC(N)=C2C#N,0.0
68075,CO-ADD:0312596,-3.33,C1=C[C@@]2([C@]([C@]3(CN(C2)Cc4ccccc4)O[C@H]5C=C3)([C@]56C(F)(F)F)C(F)(F)F)O[C@H]16,0.0
68076,CO-ADD:0312604,-3.33,C1=C[C@]2(O[C@H]13)[C@]([C@]4(CN(C(c5ccccc5)=O)C2)O[C@H]6C(=C4C(F)(F)F)C(F)(F)F)([C@@]36[H])[H],0.0
68077,CO-ADD:0305493,-3.33,N1(CC(=O)N(CC2)CCO2)C=Nc(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
68078,CO-ADD:0305836,-3.33,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c3c1C#N)CCC3,0.0
68079,CO-ADD:0307064,-3.33,C(=O)(c1ccc(c(F)c1)F)N(CC2)CCN2c3ccc(cc3F)C(C)=O,0.0
68080,CO-ADD:0307138,-3.33,N(CCN1C(C)=O)(C1c2ccccc2)S(=O)(=O)c3ccc(cc3)C,0.0
68081,CO-ADD:0311108,-3.33,N(Cc(cc1)ccc1C)(C2)C(=O)CC2C(O)=O,0.0
68082,CO-ADD:0306090,-3.33,C1(=S)NC(C)(C)C=C(C)N1c2ccc(cc2)OCC,0.0
68083,CO-ADD:0305612,-3.33,n1(cc(c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])Cc3ccccc3)S(=O)(=O)c4ccc(cc4)C,0.0
68084,CO-ADD:0307132,-3.33,c(NC(=O)C(OC)(F)C(F)(F)F)(s1)c(C(OCC)=O)c(c1C(=O)N2CCCCC2)C,0.0
68085,CO-ADD:0307086,-3.33,C(=O)(Nc1cccc(F)c1)c2c(C)cc(c(F)c2)F,0.0
68086,CO-ADD:0312133,-3.33,C(C(OCC)=O)(NC(CCCC)=O)(C(F)(F)F)Nc1sc(c(C)c1C(OCC)=O)c2ccccc2,0.0
68087,CO-ADD:0324711,-3.33,C1(=O)Oc2c(C(C)=C1C)ccc(OCCCC)c2,0.0
68088,CO-ADD:0319292,-3.33,C(c1ccccc1)(CC2)(CCN2CC(=O)Nc(cc3)ccc3OCc4ccccc4)C(OCC)=O,0.0
68089,CO-ADD:0321253,-3.33,c1(N=P(c2ccccc2)(c3ccccc3)c4ccccc4)c(c(COC)cc(n5)C)c5sc1C(OCC)=O,0.0
68090,CO-ADD:0324002,-3.33,S(=O)(=O)(c1ccc2c(ccc(C)c2)c1)NC(CC3(C)C)CC(N3)(C)C,0.0
68091,CO-ADD:0324042,-3.33,c(C(O)=O)(cc1F)c(Cl)cc1N(CC2)CCO2,0.0
68092,CO-ADD:0321049,-3.33,c(C(F)(F)F)(c(Cl)c1Cl)c(Cl)nc1Nc(cc2)ccc2Cl,0.0
68093,CO-ADD:0324053,-3.33,c1(cc(C#N)c(cc1Nc2cc3c(cc2N)cccc3)C#N)[N+](=O)[O-],0.0
68094,CO-ADD:0324725,-3.33,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4cc(F)ccc4F)cccc3,0.0
68095,CO-ADD:0324824,-3.33,C(=O)(c1cccs1)Nc2ccc(cc2Cl)NC(CCC(O)=O)=O,0.0
68096,CO-ADD:0324832,-3.33,c1(SC(C)CN(C)C)nc(C)cc(C)n1,0.0
68097,CO-ADD:0324904,-3.33,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc4ccccc4SC)n2,0.0
68098,CO-ADD:0323884,-3.33,S(NCCc(ccc(c1OCC)OCC)c1)(=O)(=O)c(c(C)ccc2C(c3c(cccc3)C(N4)Nc(cccc5C(F)(F)F)c5)=N4)c2,0.0
68099,CO-ADD:0318762,-3.33,c1(C2=O)c(sc(CC(CC)CC3)c13)N=C(SCC(=O)NCc4ccccc4)N2c5ccccc5,0.0
68100,CO-ADD:0319952,-3.33,n1(nnc(C(OCC)=O)c1CN(CC2C)CC(O2)C)c3nonc3N,0.0
68101,CO-ADD:0319343,-3.34,s1c(N)nnc1SCC(=O)Nc2c(C)ccc(Cl)c2,0.0
68102,CO-ADD:0319032,-3.34,C(/C#N)(=C/c(cc1)ccc1N(C)C)\C(=O)N2CCCCC2,0.0
68103,CO-ADD:0320457,-3.34,N(CC1)(CCN1CC(=O)Nc(cc2)ccc2OC)C(OCC)=O,0.0
68104,CO-ADD:0304720,-3.34,N1(c(cc2)ccc2c3nnc(S)o3)C(=O)c4c(N=C1S)cccc4,0.0
68105,CO-ADD:0304581,-3.34,c1(cc(F)c(cc1Cl)F)C(=O)Nc(cc2)cc(c2N(CC3)CCO3)Cl,0.0
68106,CO-ADD:0304974,-3.34,N(CC1)(CCN1c2ccc(cc2F)C(C)=O)C(CC)=O,0.0
68107,CO-ADD:0304607,-3.34,[N+](=O)([O-])c1cccc(c1)COc2c(OCC)cc(cc2Br)C=O,0.0
68108,CO-ADD:0305183,-3.34,C(C(OC)=O)(=CN(CC)C=C1C(OC)=O)C1c2ccc(c(OC)c2OC)OC,0.0
68109,CO-ADD:0304535,-3.34,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(OC)=O)C2c3ccco3,0.0
68110,CO-ADD:0304552,-3.34,c1(Nc(cccc2C(O)=O)c2)c3c(ccc(OC)c3)ncc1C(OCC)=O,0.0
68111,CO-ADD:0301834,-3.34,n1(c(cc2)ccc2C(=O)N3CCC(CC3)C)c(C)ccc1C,0.0
68112,CO-ADD:0302036,-3.34,C(=C\c(ccc(c1[N+](=O)[O-])N(CC2)CCC2C(N)=O)c1)(/C(=O)NC(N3)=O)\C3=O,0.0
68113,CO-ADD:0301265,-3.34,N1(C(=O)\C(\SC1=N)=C\c(ccc(c2OCC)OCC=C)c2)c3nonc3N,0.0
68114,CO-ADD:0301251,-3.34,N1C(=O)CC(NNC(c2ccccc2)=O)C1=O,0.0
68115,CO-ADD:0301403,-3.34,C1(NC(Cc(c2c([nH]3)cccc2)c3)C(O)=O)=NC(Cc4c1ccc(c45)cccc5)(C)C,0.0
68116,CO-ADD:0302064,-3.34,C1(c2ccc(cc2)OCC)=Nc(c3C(=O)O1)cccc3,0.0
68117,CO-ADD:0311134,-3.34,C12=C(C(N(C)C=N1)=O)SC(=S)N2c3ccccc3,0.0
68118,CO-ADD:0311025,-3.34,c1(c2N)c(ccc2C(=O)Nc3ccccc3)C(=O)c(c4C1=O)cccc4,0.0
68119,CO-ADD:0310892,-3.34,c1(cc(ccc1N(CC2)CCN2C(=O)c3ccc(c(Br)c3)OC)C(F)(F)F)[N+](=O)[O-],0.0
68120,CO-ADD:0307260,-3.34,c(c1C)([N+](=O)[O-])c(Cl)nc(Cl)c1C(=O)Nc(cc2)ccc2OC,0.0
68121,CO-ADD:0306983,-3.34,C(OC)(F)(C(F)(F)F)C(=O)Nc1ccccc1OCCCC,0.0
68122,CO-ADD:0311927,-3.34,c1(ccccc1O)C(=O)NCc(cccn2)c2,0.0
68123,CO-ADD:0307130,-3.35,n(c(c(cc1)ccc1C(OC)=O)c2c(c3Nc(cc4)ccc4OC(Cl)(F)F)cccc2)n3,0.0
68124,CO-ADD:0311500,-3.35,C(Nc(cc1)ccc1OC(F)(F)F)(C(OC)=O)(C(F)(F)F)NC(=O)c2ccc(cc2)OC,0.0
68125,CO-ADD:0311229,-3.35,N1(c2ccc(cc2[N+](=O)[O-])Cl)C(=O)c3c(cccc3)C1=O,0.0
68126,CO-ADD:0310964,-3.35,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)C)Nc2sc(c(C)c2C(OCC)=O)c3ccccc3,0.0
68127,CO-ADD:0307025,-3.35,N(CCN1C(c2ccccc2)=O)(C(c3ccccc3)=O)C1c4ccccc4,0.0
68128,CO-ADD:0311049,-3.35,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3cccc(OC)c3,0.0
68129,CO-ADD:0324398,-3.35,c1(c(C)ccc(nsn2)c12)S(=O)(=O)NCc(cccn3)c3,0.0
68130,CO-ADD:0324566,-3.35,C(CCNC(=S)Nc(cc1)ccc1C(OCC)=O)(C2)(C3)CC(CC3CC24)C4,0.0
68131,CO-ADD:0324886,-3.35,c1(C(OCC)=O)scc(OCCO2)c12,0.0
68132,CO-ADD:0323433,-3.35,N1(C(=O)\C(\SC1=N)=C\c(ccc2c(ccc(c3Cl)F)c3)o2)c4nonc4N,0.0
68133,CO-ADD:0323457,-3.35,n1(CC=C)c(SCC(=O)Nc2ccccc2F)nnc1c3cccs3,0.0
68134,CO-ADD:0319517,-3.35,c1(C2c3ccc(cc3)F)c([nH]nc1c4ccccn4)OC(N)=C2C#N,0.0
68135,CO-ADD:0323592,-3.35,c1(c(N)nc(n2)c(ccc(c3[N+](=O)[O-])Cl)c3)c2c4c(cccc4)OC1=O,0.0
68136,CO-ADD:0323151,-3.35,c12c(c(c3s1)c(COC)cc(C)n3)nc(n(c(c(cc(c4[N+](=O)[O-])[N+](=O)[O-])n5)c4)c25)C,0.0
68137,CO-ADD:0324712,-3.35,c1(c2)c(cc(C)c2NC(CC)=O)C(=CC(=O)N1[H])C,0.0
68138,CO-ADD:0324635,-3.35,C1(CC(OC12CCCCC2)=O)C(=O)N([H])C3CCCCC3,0.0
68139,CO-ADD:0321360,-3.35,n1c(C)c(CCCC)c(c(cccc2OC)c12)SCCC(O)=O,0.0
68140,CO-ADD:0324708,-3.35,[nH](c(ccc(c1)OC)c1c2CCNCC(C)(C)C)c2C,0.0
68141,CO-ADD:0321537,-3.35,N1(CC=C)C(=O)C(NC1=S)Cc(c2c([nH]3)cccc2)c3,0.0
68142,CO-ADD:0321315,-3.35,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)ccc3Cl)\C2=N,0.0
68143,CO-ADD:0323717,-3.35,N1(c2ccc(c(Cl)c2)C)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
68144,CO-ADD:0323681,-3.35,c1(C#N)c(C)c(Cl)c(nc1SCC#N)C,0.0
68145,CO-ADD:0320318,-3.36,N1(CCCC2COC(=O)Nc(cc3)ccc3C)C2CCCC1,0.0
68146,CO-ADD:0323659,-3.36,N(CCc(c1c([nH]2)cccc1)c2)(C(C)(CC)C(=O)Nc3c(C)cccc3C)C(=O)c4ccccn4,0.0
68147,CO-ADD:0319368,-3.36,c1(SCC(NCCc2ccccc2)=O)nc(c3n1c4ccccc4)cccc3,0.0
68148,CO-ADD:0319443,-3.36,c1(cccc(cccc2)c12)C(NCCOCc3ccccc3)=O,0.0
68149,CO-ADD:0319058,-3.36,C(=O)(CN(CC1)CCN1CC#N)Nc(cc2)ccc2C,0.0
68150,CO-ADD:0320482,-3.36,c1(NC(=S)NC(=O)c2ccccc2Br)sc(c3c1C(N)=O)CC(CC3)C,0.0
68151,CO-ADD:0318683,-3.36,c12c(ccc(C(N)=O)c1SCC)C(=O)c(c3C2=O)cccc3,0.0
68152,CO-ADD:0318827,-3.36,C1(C(=O)Oc(cc2)ccc2[N+](=O)[O-])=Cc3c(OC1=O)cccc3,0.0
68153,CO-ADD:0318876,-3.36,N1(Cc(cc2)ccc2OC)\C(=N\c3ccccc3)\SC(C(=O)Nc(cc4)ccc4F)CC1=O,0.0
68154,CO-ADD:0318798,-3.36,c1(ccoc1C)C(=O)Nc(cccc2C(F)(F)F)c2,0.0
68155,CO-ADD:0318756,-3.36,n1(c2ccccc2)c(SCC(NCCOc3ccccc3)=O)nnc1c4ccc(cc4)OC,0.0
68156,CO-ADD:0305008,-3.36,c1(Nc2ccccc2)nc(OC)nc(OCC(F)(F)F)n1,0.0
68157,CO-ADD:0305032,-3.36,N1(CCc(cn(c23)c(C)cs2)n3)C(=O)c(c4C1=O)cccc4,0.0
68158,CO-ADD:0304912,-3.36,C1(=S)SC(=NN1c2ccccc2)SCC(N)=O,0.0
68159,CO-ADD:0304936,-3.36,c1(N(CC)CC)nc(Oc2ccccc2)nc(Oc3ccccc3)n1,0.0
68160,CO-ADD:0305374,-3.36,N1(CC=C)C(=O)C(Cc(cc2)ccc2OC)C(NC1=O)=O,0.0
68161,CO-ADD:0304956,-3.36,C1(=S)NC(C)(C)C=C(C)N1c2ccccc2Br,0.0
68162,CO-ADD:0304426,-3.36,N1(CC=C)C(=S)NN=C1c(ccs2)c2,0.0
68163,CO-ADD:0301833,-3.36,c(cc1Cl)(c2c(n1)cccc2)C(=O)OCC(c3ccccc3)=O,0.0
68164,CO-ADD:0301585,-3.36,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5cc(OC)c(cc5OC)OC)cccc4,0.0
68165,CO-ADD:0302855,-3.36,S1(=O)(=O)c(cccc2)c2C(NCCN3C(=O)\C(\SC3=O)=C\c(cc4)ccc4OC)=N1,0.0
68166,CO-ADD:0302009,-3.36,c1(cc(C#N)c(cc1Oc(cc2)ccc2Cl)C#N)N(CC3)CCO3,0.0
68167,CO-ADD:0303722,-3.36,N1C(CC)(c2ccccc2)NN(c3ccc(cc3)Cl)C1=S,0.0
68168,CO-ADD:0301504,-3.36,S(=O)(=O)(Nc(ccc(c1Cl)Cl)c1)c2c(C)ccc(nsn3)c23,0.0
68169,CO-ADD:0305991,-3.36,c1(C(OC)=O)c(cc(O)cc2)c2n(CCOc(cc3)ccc3C(C)(C)c4ccccc4)c1C,0.0
68170,CO-ADD:0305975,-3.36,n1c(SCC(=O)Nc2ccccc2C(F)(F)F)snc1SCC(=O)Nc3ccccc3C(F)(F)F,0.0
68171,CO-ADD:0312406,-3.36,N1(C(C)=O)N=C(SC1(C)CCS(=O)(=O)c2ccc(c(Cl)c2)Cl)NC(C)=O,0.0
68172,CO-ADD:0305958,-3.36,C(/N)(=N/O)\c1ccc(c(O)c1)OC,0.0
68173,CO-ADD:0311965,-3.36,c1(ccc(cc1OCC(=O)NC(CC(CC23)CC4C2)(C3)C4)OC)C(c5ccccc5)=O,0.0
68174,CO-ADD:0306895,-3.36,c(c1c(cc2)ccn2)(C3c4cc(Br)ccc4OC(=O)N(CC5)CCO5)c([nH]n1)OC(N)=C3C#N,0.0
68175,CO-ADD:0310869,-3.37,S(=O)(=O)(N(C)C)c(cc1)ccc1C(=O)N2CCC(CC2)c3ccccc3,0.0
68176,CO-ADD:0312306,-3.37,c1(OCCNC(=O)c2ccc(cc2)OCCCC)cc(C)ccc1C(C)C,0.0
68177,CO-ADD:0312441,-3.37,n1(c2ccccc2)c(SCC(=O)NC(C)(C)CC(C)(C)C)nnc1c3cccc(F)c3,0.0
68178,CO-ADD:0311530,-3.37,n1(\N=C\c(cc2)ccc2Cl)c(S)nnc1C(F)(F)F,0.0
68179,CO-ADD:0311550,-3.37,C(c1ccccc1)(CC2)(CCN2CC(=O)Nc(cc3)ccc3F)C(OCC)=O,0.0
68180,CO-ADD:0311364,-3.37,N1(c2ccccc2)C(=O)C(CCCC)=C(N=C1SCCN(CC)CC)O.Cl,0.0
68181,CO-ADD:0323386,-3.37,n1(cnnn1)c(cc(OC)cc2NC(=O)c(cc3OC)cc(c3OC)OC)c2,0.0
68182,CO-ADD:0323387,-3.37,[N+](=O)([O-])c(cc(SCC(CO)O)cc1NC(=O)c2ccc(cc2)F)c1,0.0
68183,CO-ADD:0320704,-3.37,c1(NC(COc(cccc2C(F)(F)F)c2)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
68184,CO-ADD:0323480,-3.37,N12C(C=C(c3ccccc3)C(c4ccccc4)=N1)=Nc(cccc5)c5C2=O,0.0
68185,CO-ADD:0323520,-3.37,c1(c(cccc1Cl)Cl)COc(cc2)c(OC)cc2C(=O)Nc3cccc(C)n3,0.0
68186,CO-ADD:0320733,-3.37,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cc(Br)ccc5F,0.0
68187,CO-ADD:0321413,-3.37,c1(cccc(nsn2)c12)S(NCCC(CC(CC3C4)CC45)(C5)C3)(=O)=O,0.0
68188,CO-ADD:0320757,-3.37,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)N=C(c3ccccc3)N1,0.0
68189,CO-ADD:0324558,-3.37,C(O)(NC(=O)NC1=O)=C1\C(\C)=N\NC(c(cc2)ccn2)=O,0.0
68190,CO-ADD:0320071,-3.37,S1(=O)c2c(C(=O)N1)ccc(c2)[N+](=O)[O-],0.0
68191,CO-ADD:0319471,-3.37,n1(c2ccccc2)c(SCC(=O)Nc3sccn3)nnc1c4ccc(c(OC)c4)OC,0.0
68192,CO-ADD:0163043,-3.37,S(=O)(=O)(c1ccc(cc1)\N=C\c2cccc(Br)c2)c3ccc(cc3)\N=C\c(c4c([nH]5)cccc4)c5,0.0
68193,CO-ADD:0163635,-3.37,c(\C=N\NC(COc1c(C)cccc1C)=O)(cc(OCO2)c2c3)c3Cl,0.0
68194,CO-ADD:0158444,-3.37,O=C(NC1=CC=C(C=C1)C(NC2=CC=C(OC)C=C2)=O)C3=CC=CC=C3Br,0.0
68195,CO-ADD:0157702,-3.37,N#CC1=C(N)OC(NN=C2C)=C2C1C3=CC=CN=C3,0.0
68196,CO-ADD:0158094,-3.37,S=C(OC1=CC=C(C=C1)C(NC2=CC=CC=C2)=O)N3CCCCC3,0.0
68197,CO-ADD:0157366,-3.37,O=C(C1)N(C2=CC=C(Br)C=C2)C(C1SC(N/N=C/C3=CC=C(O)C=C3)=N)=O,0.0
68198,CO-ADD:0332051,-3.37,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)NCC(CC(CC4C5)CC56)(C6)C4)c1Br,0.0
68199,CO-ADD:0332142,-3.37,C(C(OC)=O)(=CN(CC(CC1CC2CC3C1)(C2)C3)C=C4C(OC)=O)C4c5ccc(c(OC)c5)OCC,0.0
68200,CO-ADD:0327464,-3.37,C1(=O)N(CCCC)c2c(Oc(cc(cc3OC)[N+](=O)[O-])c13)cccc2,0.0
68201,CO-ADD:0325989,-3.37,N1C(=O)C=C(SC1=O)c2ccccc2,0.0
68202,CO-ADD:0329594,-3.37,S(NCCc(c1c([nH]2)ccc(C)c1)c2C)(=O)(=O)c3c(C)cc(c(C)c3)OC,0.0
68203,CO-ADD:0326376,-3.37,C12(C(OC)=O)C(C1(CC)C(=O)c3ccc(cc3)C)c4c(ccc(Br)c4)OC2=O,0.0
68204,CO-ADD:0327459,-3.37,[N+](=O)([O-])c(cc(Oc1cccc(C)c1)c(c23)C=Cc(cccc4)c4O2)c3,0.0
68205,CO-ADD:0329419,-3.38,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(c2ccc(cc2)OC)CC(OCC)=O,0.0
68206,CO-ADD:0328745,-3.38,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)NCc2ccco2)Cl)c1,0.0
68207,CO-ADD:0326613,-3.38,c1(nc(c2n1CC(=O)Nc(cc3)cc(c34)ccc(C)n4)cccc2)c5nonc5N,0.0
68208,CO-ADD:0330023,-3.38,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2F)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
68209,CO-ADD:0329847,-3.38,S(=O)(=O)(c(cccc1C(=O)Nc(cccc2C(C)=O)c2)c1)N(CC3)CCO3,0.0
68210,CO-ADD:0326269,-3.38,C(=O)(Nc1ccccc1C)C(CC)C(C)=O,0.0
68211,CO-ADD:0328115,-3.38,S(=O)(=O)(c1ccc(c(OC)c1)Cl)N(CC2)CCN2c3cc(C)ccc3C,0.0
68212,CO-ADD:0328980,-3.38,c12c(ccc(C(NCCc(c3c([nH]4)cccc3)c4C)=O)c1[N+](=O)[O-])C(=O)c(c5C2=O)cccc5,0.0
68213,CO-ADD:0329927,-3.38,c1(C(O)=O)cnn(CCC)c1C,0.0
68214,CO-ADD:0328740,-3.38,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)NCc(cc2)ccn2)Cl)c1,0.0
68215,CO-ADD:0157774,-3.38,O=C(C1=CC(OC)=C(OC)C=C1)NCC(N/N=C/C2=C(OC)C(Br)=CC(Br)=C2)=O,0.0
68216,CO-ADD:0326625,-3.38,N1(c2ccc(cc2)OC(F)(F)F)C(=O)\C(\SC1=N)=C\c(ccc3c4ccc(cc4Cl)Cl)o3,0.0
68217,CO-ADD:0157605,-3.38,O=C(N1C2=CC=CC=C2)C(C(C3=CC=C(OCC=C)C=C3)C(C(N4C5=CC=CC=C5)=O)=C(C)N4C)=C(C)N1C,0.0
68218,CO-ADD:0328329,-3.38,c12c(C(=O)C=C(c3cccs3)C=C1OCC)c(oc2C)C,0.0
68219,CO-ADD:0331345,-3.38,c1(SCC(=O)Nc2cc(OCO3)c3cc2C(C)=O)[nH]c(c4n1)ccc(OCC)c4,0.0
68220,CO-ADD:0330913,-3.38,c12c(ccc(C(NCCc(c3c([nH]4)ccc(Br)c3)c4C)=O)c1[N+](=O)[O-])C(=O)c(c5C2=O)cccc5,0.0
68221,CO-ADD:0330961,-3.38,c12c(c3c(cccc3)C1=O)nc4n(ncn4)c2c5ccccc5Cl,0.0
68222,CO-ADD:0332074,-3.38,[N+](=O)([O-])c(cccc1C(=O)N(CC2)CCN2c3ccc(cc3)C)c1,0.0
68223,CO-ADD:0331889,-3.38,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3ccc(c(cccc4)c34)OC,0.0
68224,CO-ADD:0332409,-3.38,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)F)NC3=C1C(=O)N(C)C(N3C)=O,0.0
68225,CO-ADD:0331733,-3.38,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c(cccc3[N+](=O)[O-])c3,0.0
68226,CO-ADD:0330767,-3.38,n1(CC=C)c(SCC(=O)Nc(cc2)ccc2C(OC)=O)nnc1c(cccn3)c3,0.0
68227,CO-ADD:0158400,-3.38,O=C(C1(CCCCC1)C)NC2=CC=C(C=C2)C(NC3=CC=C(OC)C=C3)=O,0.0
68228,CO-ADD:0158385,-3.38,[O-][N+](C(C=C1)=CC=C1/C=N/N=C2C3=NON=C3CCC/2)=O,0.0
68229,CO-ADD:0158477,-3.38,O=S(NC1=C(N=CC=C2)C2=CC(Br)=C1)(C3=CC=C(C4=CC=CC=C4)C=C3)=O,0.0
68230,CO-ADD:0160590,-3.38,CC1=C(C2=CC=CC=C2)N=C(/N=C/C3=CC(OC)=C(OC)C=C3)S1,0.0
68231,CO-ADD:0158342,-3.38,BrC1=CC=CC(N(C(C2)C3=C(OC)C=C(OC)C=C3)N=C2C4=CC=C(Cl)C=C4)=C1,0.0
68232,CO-ADD:0156974,-3.38,O=C(CSC1=CC=CC=N1)N2C(O)(C)CC(C)=N2,0.0
68233,CO-ADD:0155004,-3.38,N#CC1=C(SCC(NC2=CC=CC=C2)=O)N=C(C)C=C1COC,0.0
68234,CO-ADD:0155284,-3.38,[O-][N+](C1=CC(/C=N/C2=CC(C3=NC4=CC=C(C)C=C4O3)=C(O)C=C2)=C(O)C=C1)=O,0.0
68235,CO-ADD:0155260,-3.38,N#C/C(C(OC)=O)=C/C(C(CC(OC)=O)C#N)=C/[C-](C#N)C(OC)=O,0.0
68236,CO-ADD:0161464,-3.39,N1(CN(c2cccc(C)c2)C(c3ccccc3)=O)C(=O)c4c(cccc4)C1=O,0.0
68237,CO-ADD:0161512,-3.39,c1(C(=O)N\N=C\c2ccccc2O)nc(c3ccccc3)cc(c4ccccc4)n1,0.0
68238,CO-ADD:0327148,-3.39,n1(c(CCC)nn2)c2SCC(c(ccc(c3Cl)Cl)c3)=N1,0.0
68239,CO-ADD:0157006,-3.39,N#CC(C(C(F)(F)F)=C1)=C(SCC(NC2=CC=C(C=C2)[N+]([O-])=O)=O)N=C1C3=CC=CS3,0.0
68240,CO-ADD:0326345,-3.39,N(CC(C)OC1c2ccco2)(C(=O)c(ccc(c34)OCO3)c4)O1,0.0
68241,CO-ADD:0330003,-3.39,N(c1ccc(c(Cl)c1)Cl)(C(=O)C(C2ON3c4ccccc4)C3c5ccc(cc5)OC)C2=O,0.0
68242,CO-ADD:0330019,-3.39,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)F)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
68243,CO-ADD:0329620,-3.39,S(NCCc(c1c([nH]2)ccc(Br)c1)c2C)(=O)(=O)c(cc3)ccc3C(C)(C)C,0.0
68244,CO-ADD:0329668,-3.39,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)Oc(cc2)ccc2Oc3c(Cl)cc(cn3)Cl,0.0
68245,CO-ADD:0326725,-3.39,n1(c2c(s3)cccc2)c3nnc1SCC(=O)Nc4c(OC)ccc(OC)c4,0.0
68246,CO-ADD:0326135,-3.39,N1(c2ccccc2)C(=O)C(SC1=O)Nc(cccc3C(F)(F)F)c3,0.0
68247,CO-ADD:0326183,-3.39,N1(C(=O)c2cccc(C)c2)C(=S)N=C(C=CC(Cl)=C3)N13,0.0
68248,CO-ADD:0328410,-3.39,c1(C#N)c(OCC(c2ccccc2)=O)nc(c3c1CC(C)(C)OC3)CCCC,0.0
68249,CO-ADD:0327619,-3.4,N1(CC(=O)Nc(cc2)ccc2OCC(OC)=O)C(=O)c3c(C(c4ccccc4)=N1)cccc3,0.0
68250,CO-ADD:0327805,-3.4,c1(O)c(CN(C)C)c(Oc(c(CN(C)C)c(O)c(C\C=C(/C)\C)c2O)c2C3=O)c3c(C\C=C(/C)\C)c1O,0.0
68251,CO-ADD:0329928,-3.4,N1C(=O)\C(\SC1=S)=C\C=C(\S2)/N(C)CC2,0.0
68252,CO-ADD:0327623,-3.4,N1(CC(NCCc(ccc(c2OCC)OCC)c2)=O)C(=O)c3c(C(c4ccccc4)=N1)cccc3,0.0
68253,CO-ADD:0327824,-3.4,c1([C@H]([C@](C)(C(C)(C)[C@@H]23)CC2)C3)cc(C(C)=CC(=O)O4)c4cc1O,0.0
68254,CO-ADD:0157885,-3.4,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC(OCC)=C(C=C3)OC(C=C4)=C(C=C4[N+]([O-])=O)[N+]([O-])=O)=C(C)N1C,0.0
68255,CO-ADD:0329523,-3.4,C1(C(=O)NC(N2Cc3ccccc3)=O)=C2NC(=O)C1(NC(CCc4ccccc4)=O)C(F)(F)F,0.0
68256,CO-ADD:0157928,-3.4,CC1=CC=C(C=C1)/C=N/NC2=NC(N3CCOCC3)=NC(NC4=CC=CC5=C4C=CC=C5)=N2,0.0
68257,CO-ADD:0157513,-3.4,O=C(CNC(C=C1)=CC=C1OC)N/N=C/C2=CC=CC=C2,0.0
68258,CO-ADD:0157334,-3.4,O=C(N/C(C(N/N=C/C1=C(O)C=CC(Br)=C1)=O)=C/C2=CC=C(N(CC)CC)C=C2)C3=CC=CC=C3Cl,0.0
68259,CO-ADD:0326624,-3.4,N1(c2ccc(cc2)OC(F)(F)F)C(=O)\C(\SC1=N)=C\c(ccc3c4cc(Cl)cc(Cl)c4)o3,0.0
68260,CO-ADD:0332064,-3.4,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N(CC3)CCN3c4cccc(Cl)c4,0.0
68261,CO-ADD:0332136,-3.4,C1(C(=O)NC(C)(CC)C#C)=Cc(cc(Br)cc2Br)c2OC1=O,0.0
68262,CO-ADD:0163253,-3.4,[C@@]1(C#N)(C#N)[C@@H](c(cccn2)c2)[C@@]3([H])C(C(C#N)=C1N)=CCCC3.C(=O)O,0.0
68263,CO-ADD:0163637,-3.4,c1(c(O)c(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
68264,CO-ADD:0158454,-3.4,ClC1=CC=C(C=C1)C2=NC3=C(C(C=CC=C4)=C4C5=C3C=CC=C5)N2C6=CC=CC=C6,0.0
68265,CO-ADD:0158478,-3.4,O=S(C1=C(C)C=CC(C(NC2=NC=CC=C2)=O)=C1)(N3CCOCC3)=O,0.0
68266,CO-ADD:0161552,-3.4,C(c1ccccc1)(=O)NC(C)C(=O)N\N=C\c2cccc(CC=C)c2O,0.0
68267,CO-ADD:0160075,-3.4,O=C1N(CCN2C(SCC2=O)C3=CC(C(C)(C)C)=C(C(C(C)(C)C)=C3)O)C(SC1)C4=CC(C(C)(C)C)=C(C(C(C)(C)C)=C4)O,0.0
68268,CO-ADD:0159780,-3.4,O=C(C1=CC=CC=C1OC)OC2=CC=C(C)C=C2N3N=C4C=CC=CC4=N3,0.0
68269,CO-ADD:0160372,-3.41,[O-][N+](C1=CC([N+]([O-])=O)=CC(NC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(NC2=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C2C)=O)=O)=C1C)=O,0.0
68270,CO-ADD:0331024,-3.41,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)Cl)NC3=C1C(=O)NC(N3c4ccc(cc4)OC)=O,0.0
68271,CO-ADD:0327164,-3.41,[nH](c(ccc(c1)OC)c1c2CCNCc3ccccc3F)c2C,0.0
68272,CO-ADD:0325929,-3.41,C(C(OC)=O)(C(F)(F)F)(O1)c2c(OP1(OCC)=S)cc(OCO3)c3c2,0.0
68273,CO-ADD:0327229,-3.41,S(NCCOc(cc1)ccc1Cl)(=O)(=O)c(ccc(c2s3)nc3SC)c2,0.0
68274,CO-ADD:0326234,-3.41,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3Cl)\NC(=O)c4ccc(cc4)Br)c1C,0.0
68275,CO-ADD:0328951,-3.41,C(C(=O)c1cccs1)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCc4ccccc4)=O,0.0
68276,CO-ADD:0326152,-3.41,c1(N2CCCCC2)nc(COc(cc3)ccc3C(C)(C)C)nc(N)n1,0.0
68277,CO-ADD:0326032,-3.41,C(NC(C)=O)(C(=O)c(cccc1)c1C2=O)=C2N(CC3)CCN3C(=O)c4ccco4,0.0
68278,CO-ADD:0329484,-3.41,S(=O)(=O)(N(CC1)CCN1c2ccccc2F)c3cc(C)ccc3OC,0.0
68279,CO-ADD:0326563,-3.41,c(c1N)(sc2c1cc(c3n2)CCC3)c4nc(N)nc(N(CC5)CCO5)n4,0.0
68280,CO-ADD:0326389,-3.41,c1(c(Cl)cc(nc1Cl)Cl)C(=O)Nc(cc2)ccc2OC,0.0
68281,CO-ADD:0326589,-3.41,N1(c2ccccc2C)C(=O)c3c(N=C1SCC(=O)Nc(cc4)ccc4Cl)cccc3,0.0
68282,CO-ADD:0328459,-3.41,C(C(=O)c1ccc(cc1)C)(C2c3cccs3)=C(O)C(N2CCN(CC4)CCO4)=O,0.0
68283,CO-ADD:0328372,-3.41,N1(CCC(=O)OC2CSCC2NC(c3ccccc3)=O)C(=O)c(c4C1=O)cccc4,0.0
68284,CO-ADD:0157231,-3.41,O=C(COC1=CC(C=CC=C2)=C2C=C1)N/N=C/C3=CC(Br)=C(O)C(Br)=C3,0.0
68285,CO-ADD:0328561,-3.41,C1(C(OCC)=O)=C(N)Oc2c(ccc(c2)O)C1C(C)C,0.0
68286,CO-ADD:0331832,-3.41,C(=C/c(ccc(c1OC)OCc(cc2)ccc2Cl)c1)(/C(=O)NN3c4cccc(Cl)c4)\C3=O,0.0
68287,CO-ADD:0331506,-3.41,C1(C(F)(F)F)(NC(=O)c2ccccc2OCC)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)C)=O,0.0
68288,CO-ADD:0331160,-3.42,n1(c2c(n3)cccc2)c3CSCC(O)C1,0.0
68289,CO-ADD:0158433,-3.42,[O-][N+](C1=CC(C(NC2=CC=C(C=C2)C(N(C3=CC=CC=C3)C4=CC=CC=C4)=O)=O)=CC([N+]([O-])=O)=C1)=O,0.0
68290,CO-ADD:0158025,-3.42,[O-][N+](C1=CC(NC(C2CN(C3=CC=CC([N+]([O-])=O)=C3)C(C2)=O)=O)=CC=C1)=O,0.0
68291,CO-ADD:0158602,-3.42,O=S(C1=C(Cl)C=CC(C(NC2=CC=C(C=C2)C(OCC)=O)=O)=C1)(N3CCOCC3)=O,0.0
68292,CO-ADD:0157930,-3.42,C1(N2CCOCC2)=NC(NC3=CC=CC4=C3C=CC=C4)=NC(N/N=C/C5=CNC6=C5C=CC=C6)=N1,0.0
68293,CO-ADD:0331656,-3.42,C1(\N=C(\C=C(N2Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c4ccc(cc4)Cl)/C2=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
68294,CO-ADD:0331497,-3.42,n1(c2c(s3)cccc2)c3nnc1SCC(=O)N4c5c(cccc5)Sc(ccc(c6)C(F)(F)F)c46,0.0
68295,CO-ADD:0160564,-3.42,O=C(C1=CC(C(NC(C=C2)=CC=C2OC3=CC=C4C(OC(C4=C3)=O)=O)=O)=CC=C51)N(C(C=C6)=CC=C6/N=N/C7=CC=CC=C7)C5=O,0.0
68296,CO-ADD:0159964,-3.42,IC1=CC(I)=CC(/C=N/NC2=NC(N3CCOCC3)=NC(NC4=CC=CC5=CC=CC=C45)=N2)=C1O,0.0
68297,CO-ADD:0160476,-3.42,C1(C2=CC=CO2)N(C3=CC=CC=C3)CCN1C4=CC=CC=C4,0.0
68298,CO-ADD:0331409,-3.42,c1(SC(Cc2cc(Cl)ccc2Cl)C(O)=O)[nH]c(c3n1)ccc(C)c3,0.0
68299,CO-ADD:0327237,-3.42,N1(c2ccc(cc2)OC(F)(F)F)C(=O)CSC13CCC(CC3)C(C)(C)C,0.0
68300,CO-ADD:0327246,-3.42,c1(C(=O)N(C)C(N2C)=O)c2ncn1C(O3)C(O)C(C3C(O)C(N)=O)O,0.0
68301,CO-ADD:0328783,-3.42,N1(N=C(S2)CC)C2=NC(=O)\C(=C\c3c4c([nH]c3C)cccc4)\C1=N,0.0
68302,CO-ADD:0328480,-3.42,c1(cccs1)C(=O)\C=C\c(cc2)ccc2Cl,0.0
68303,CO-ADD:0328399,-3.42,n1(C)c2c(c(C)c1C)cccc2N\C=C(/C(OCC)=O)\C(OCC)=O,0.0
68304,CO-ADD:0328895,-3.42,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)NCc(ccc2C(OCC)=O)o2)Cl)c1,0.0
68305,CO-ADD:0328135,-3.42,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2)c1)N(CC3)CCN3C45CC6CC(CC(C6)C4)C5,0.0
68306,CO-ADD:0329638,-3.42,c(NC(COc1ccccc1Cl)=O)(c(C(N)=O)nn2c3ccccc3)n2,0.0
68307,CO-ADD:0325981,-3.42,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc(cc4)ccc4C)[N+](=O)[O-])c13)cccc2,0.0
68308,CO-ADD:0327378,-3.42,N1(c(cc2)ccc2C(OCC)=O)C(c(cc3)ccc3C(OC)=O)C(C1=O)Oc4ccc(cc4C)Cl,0.0
68309,CO-ADD:0326084,-3.42,C(=O)(CN(CC1)CCO1)Nc(ccc(c2Br)C)c2.Cl,0.0
68310,CO-ADD:0326157,-3.42,c1(\C(\CCC2)=N\OCc3ccc(cc3Cl)F)c2non1,0.0
68311,CO-ADD:0328675,-3.42,S(=O)(=O)(c(cccc1S(=O)(=O)c2ccc(cc2)Cl)c1)Nc3ccc(c(cccn4)c34)Br,0.0
68312,CO-ADD:0328715,-3.42,N1(C(=O)c2ccccc2F)C(=S)N=C(C=CC(C)=C3)N13,0.0
68313,CO-ADD:0328684,-3.42,S(=O)(=O)(c(ccc(c1C(=O)Nc2ccccc2)Cl)c1)N(CC3)CCN3C45CC6CC(CC(C6)C4)C5,0.0
68314,CO-ADD:0328501,-3.42,C(=O)(N(CC1)CCO1)c2ccccc2SCc(cc3)ccc3F,0.0
68315,CO-ADD:0329197,-3.42,C(=O)(Nc(cc1)ccc1CC#N)c2cccnc2Cl,0.0
68316,CO-ADD:0331828,-3.42,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c3ccc(cc3F)F,0.0
68317,CO-ADD:0332119,-3.42,C1(C(=O)NCc(cc2)ccc2OC)=Cc(cccc3OC)c3OC1=O,0.0
68318,CO-ADD:0331720,-3.43,C1(C(F)(F)F)(NC(=O)c2cccc(Cl)c2)C(=O)N(C(=O)N1)CCc3ccccc3,0.0
68319,CO-ADD:0331697,-3.43,c1(nnc(c2ccc(cc2)Oc3ccccc3)o1)c(c(C)nc(c4C(OCC)=O)C)c4,0.0
68320,CO-ADD:0163510,-3.43,c1(c2ccc(cc2)I)ccc(\C=N\NC(CNC(=O)c3ccccc3Br)=O)o1,0.0
68321,CO-ADD:0163526,-3.43,c1(cc(\C=N\NC(COc2cccc(C)c2)=O)cc(OC)c1O)[N+](=O)[O-],0.0
68322,CO-ADD:0156889,-3.43,[O-][N+](C1=CC=C(C(Cl)=C1)C2=CC=C(/C=N/N(C3=CC=CC=C3)C4=CC=CC=C4)O2)=O,0.0
68323,CO-ADD:0158703,-3.43,O=C(/C=C/C1=CC=C(Br)C=C1)OC(C(Br)=C2)=C(Br)C=C2/C=N/C3=CC=CC(Cl)=C3C,0.0
68324,CO-ADD:0158799,-3.43,O=C(N/N=C/C1=CC=C(C)C=C1)C(NC2=CC=CC=C2F)=O,0.0
68325,CO-ADD:0332389,-3.43,C1(C(OC)=O)(C(F)(F)F)N=C(c2ccc(cc2Cl)Cl)OC(N3CCCCC3)=N1,0.0
68326,CO-ADD:0331933,-3.43,S(NCCCN(CC1)CCO1)(=O)(=O)c2ccc(cc2)NC(C)=O,0.0
68327,CO-ADD:0332097,-3.43,S(=O)(=O)(N1CCC(CC1)C(N)=O)c2ccc(c(cccc3)c23)OCC,0.0
68328,CO-ADD:0330857,-3.43,c(C(=O)Nc(cc1)ccc1OC(F)(F)Cl)(sc(c23)nc(cc2C(F)(F)F)c4ccccc4)c3N,0.0
68329,CO-ADD:0328496,-3.43,N(c1cccc(Cl)c1)(C(=O)C(C23)C(c4cc(Cl)cc(Cl)c4O)NC2(CC(C)C)C(O)=O)C3=O,0.0
68330,CO-ADD:0328752,-3.43,c1(Cl)nc(Cl)cc(C)c1C(NCCc2ccccc2)=O,0.0
68331,CO-ADD:0327121,-3.43,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(=O)(=O)Nc4sccn4)n1)c5c(cccc5)n2CCC,0.0
68332,CO-ADD:0327153,-3.43,N1(CC(=O)OC2CSCC2NC(c3ccccc3)=O)C(=O)c4c(cccc4)C1=O,0.0
68333,CO-ADD:0328120,-3.43,n12c(c3c(cc(c(OC)c3)OC)CC1(C)C)nnc2c(cccn4)c4,0.0
68334,CO-ADD:0328113,-3.43,S(=O)(=O)(c1ccc(cc1)F)N(CC2)CCN2c3cc(C)ccc3C,0.0
68335,CO-ADD:0326073,-3.43,n(n(Cc1ccccc1F)nn2)c2c3ccc(cc3)OC,0.0
68336,CO-ADD:0327691,-3.43,C(=O)(Nc(ccc(c1Br)C)c1)CCN(CC2)CCO2,0.0
68337,CO-ADD:0327315,-3.43,C(=S)(c1ccc(cc1)Br)N(CC2)CCN2Cc3ccccc3,0.0
68338,CO-ADD:0328555,-3.43,C1(C(F)(F)F)(C(F)(F)F)NC(C(Br)C12)C(C2)Br,0.0
68339,CO-ADD:0328175,-3.43,c1(c(C)c(cc(C(C)C)c1O)NC(=O)c2ccc(cc2)Cl)S(c3ccccc3)(=O)=O,0.0
68340,CO-ADD:0328184,-3.43,S(c1ccccc1)(=O)(=O)c2c(O)c(C)cc(NC(=O)c3ccc(cc3)Cl)c2C(C)C,0.0
68341,CO-ADD:0330040,-3.43,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N(CC3)CCN3c4ccc(cc4)C,0.0
68342,CO-ADD:0327405,-3.43,N1(c2ccc(cc2)F)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccccc4C,0.0
68343,CO-ADD:0332166,-3.43,C(=O)(NC(C)(CC)C#C)c1cccs1,0.0
68344,CO-ADD:0332550,-3.43,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)N(CC3)CCN3C(=O)c4cccc(F)c4,0.0
68345,CO-ADD:0331806,-3.43,c1(cc(C#N)c(cc1N(CCN(Cc2ccccc2)c3cc(C#N)c(cc3[N+](=O)[O-])C#N)Cc4ccccc4)C#N)[N+](=O)[O-],0.0
68346,CO-ADD:0332147,-3.43,c(no[n+]1[O-])(c2c([nH]c(CC)n2)c3c4no[n+]3[O-])c14,0.0
68347,CO-ADD:0331379,-3.43,c1(C(N)=O)oc(c2c1NC(Cc(ccc(c3OCC)OCC)c3)=O)ccc(Cl)c2,0.0
68348,CO-ADD:0331868,-3.43,C(Nc1ccccc1)(C(OC)=O)(c(cc2OC)cc(c2O)OC)C(F)(F)F,0.0
68349,CO-ADD:0331892,-3.44,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCN2c3cccc(C)c3C,0.0
68350,CO-ADD:0332469,-3.44,c1(NC(=O)c(cc2)ccc2C(=O)Nc3sc(c(Cc4ccccc4)c3C(OCC)=O)c5ccccc5)sc(c(Cc6ccccc6)c1C(OCC)=O)c7ccccc7,0.0
68351,CO-ADD:0158391,-3.44,O=S(/N=C(C(C=C1)=CC=C1Br)/NC(C)(C)C)(C2=CC=CC=C2C)=O,0.0
68352,CO-ADD:0158471,-3.44,O=S(C1=CC(C(O)=O)=C(Cl)C=C1)(NC2=CC=C(F)C=C2)=O,0.0
68353,CO-ADD:0160588,-3.44,O=C(N/N=C/C(C(Cl)=C1)=CC=C1Cl)C(NC(C=CC=C2)=C2OC(F)(F)C(F)F)=O,0.0
68354,CO-ADD:0160517,-3.44,O=C(OCC)C1=C(NC(COC2=CC=CC=C2I)=O)SC=C1C3=CC=CC=C3,0.0
68355,CO-ADD:0159979,-3.44,[O-][N+](C1=CC=CC(/C=N/N=C(S/2)\NC(C2=C\C3=CC=CC=C3O)=O)=C1)=O,0.0
68356,CO-ADD:0160568,-3.44,CC1=NN(C2=CC=CC=C2)C(/N=C/C(C=C3)=CC=C3OCC4=CC=CC=C4)=C1C5=CC(Br)=CC=C5,0.0
68357,CO-ADD:0331356,-3.44,N1(c(c(ccc2)C(=C34)C(SS3)=S)c2C(=O)C1=O)C4(C)C,0.0
68358,CO-ADD:0330980,-3.44,C1(c2ccccc2F)=N\C(\C(=O)O1)=C\c(cc3)ccc3C(O)=O,0.0
68359,CO-ADD:0331421,-3.44,n1c(c(cc2)ccc2S(C)(=O)=O)nnn1CC(=O)Nc(cc3)ccc3OC(F)(F)Cl,0.0
68360,CO-ADD:0328712,-3.44,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccccn2)NC3=C1C(=O)NC(N3Cc4ccccc4)=O,0.0
68361,CO-ADD:0328338,-3.44,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)NCc2ccc(C)n2C,0.0
68362,CO-ADD:0327185,-3.44,n1(c(CCCC)nn2)c2SCC(c(cc3)ccc3[N+](=O)[O-])=N1.Br,0.0
68363,CO-ADD:0327193,-3.44,[nH](c(ccc(c1)OC)c1c2CCNCc3cccc(C)n3)c2C,0.0
68364,CO-ADD:0326498,-3.44,C1(=O)Oc2c(C(C)=C1C)ccc(OC)c2,0.0
68365,CO-ADD:0326066,-3.44,n1(CC=C)c(SCC(=O)Nc(ccc(c2Cl)F)c2)nnc1c(cccn3)c3,0.0
68366,CO-ADD:0327771,-3.44,[nH](c(ccc(c1)OC)c1c2CCNCc3cc(OC)ccc3OC)c2C,0.0
68367,CO-ADD:0327235,-3.44,c1(nn(cn1)CCNS(=O)(=O)c2ccc(cc2)C)[N+](=O)[O-],0.0
68368,CO-ADD:0329740,-3.44,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
68369,CO-ADD:0329389,-3.44,C1(=O)c2c(cc(cc2[N+](=O)[O-])Oc3ccccc3)Oc(cccc4)c4N1Cc5cccc(Br)c5,0.0
68370,CO-ADD:0327901,-3.44,P(OCC)(OCC)(=O)C(C)(O)c1ccc(cc1)Cl,0.0
68371,CO-ADD:0327617,-3.44,N(C(Nc1ccccc1)=NN=C2C(C)(C)C)C2=O,0.0
68372,CO-ADD:0328397,-3.44,c12c(ccc(c(c3C(OCC)=O)O)c1nc3)c(c(C)[nH]2)C,0.0
68373,CO-ADD:0332115,-3.44,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)N(CC3)CCN3c4ccc(c(Cl)c4)Cl,0.0
68374,CO-ADD:0331083,-3.44,n1(CCc2ccccc2)c3c(nc1COc(cc4)ccc4Cl)cccc3,0.0
68375,CO-ADD:0157323,-3.45,O=C1OC(C2=CC=CC=C2F)=N/C1=C\C(C=C3)=CC=C3C,0.0
68376,CO-ADD:0157188,-3.45,OCC1=CC=C(O1)C#CC2=CC=CC=C2,0.0
68377,CO-ADD:0160400,-3.45,O=S(C1=CC=C(C([N+]([O-])=O)=C1)C)(OC(C=C2)=CC=C2/C=N/NC(C3=CC=C(OC)C=C3)=O)=O,0.0
68378,CO-ADD:0155949,-3.45,[O-][N+](C(C=C1)=CC=C1C2=NN(C(C)=O)C3(CCCC3)O2)=O,0.0
68379,CO-ADD:0160107,-3.45,O=C(/C=C/C1=CC=CC=C1)NC2=NC(C3=CC=CC=C3)=NC(NC(/C=C/C4=CC=CC=C4)=O)=N2,0.0
68380,CO-ADD:0160455,-3.45,[O-][N+](C(C=C1)=CC=C1OC2=CC=C(C=C2)C(NNC(C(C=C3)=CC=C3OC4=CC=C(C=C4)C(NNC(C(C=C5)=CC=C5OC6=CC=C(C=C6)[N+]([O-])=O)=O)=O)=O)=O)=O,0.0
68381,CO-ADD:0332456,-3.45,c1(c2ccccc2F)nnn(CC(=O)Nc(ccc(c34)CCC3)c4)n1,0.0
68382,CO-ADD:0326319,-3.45,C(NCC(C1)(CC(CC12)CC3C2)C3)(C(F)(F)F)(C(F)(F)F)NC(=O)c4cccc(C)c4,0.0
68383,CO-ADD:0326367,-3.45,S(=O)(=O)(Nc(ccc(c12)oc(COC)c1C(OC)=O)c2)c(ccc(c3[N+](=O)[O-])Cl)c3,0.0
68384,CO-ADD:0326496,-3.45,C(C(c1ccccc1)=O)(C2c3ccc(c(OC)c3)O)=C(O)C(N2CCN)=O,0.0
68385,CO-ADD:0326482,-3.45,n1c(N)n[nH]c1CC(=O)N(Cc2ccccc2)C3(CCCCC3)C(=O)Nc(cc4)ccc4OC,0.0
68386,CO-ADD:0327470,-3.45,N(C(=O)\C(\S1)=C/c2ccccc2OC(C)C)=C1N(CC3)CCN3c4ccccc4C,0.0
68387,CO-ADD:0325980,-3.45,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc4ccccc4OC)[N+](=O)[O-])c13)cccc2,0.0
68388,CO-ADD:0328407,-3.45,C1(=O)N(C)C(=O)C=C(NC)N1CC=C,0.0
68389,CO-ADD:0329716,-3.45,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5)OCCCCCCC,0.0
68390,CO-ADD:0329725,-3.45,C(=O)(N(CC1)CCN1Cc2ccccc2)C(C3CCCC3)C(OC)=O.Cl,0.0
68391,CO-ADD:0328208,-3.45,S(=O)(=O)(c1ccc(cc1)Cl)c2cc(cc(C)c2O)NS(=O)(=O)c3ccc(cc3)OC,0.0
68392,CO-ADD:0329361,-3.45,C(=C/c(ccc1c2ccccc2F)o1)(/C(=O)NN3c4ccccc4)\C3=O,0.0
68393,CO-ADD:0329745,-3.45,C1(C(F)(F)F)(NC(=O)c(cccn2)c2)C(=O)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
68394,CO-ADD:0157196,-3.45,O=C(C1=CC=C(Br)C=C1)NC2=CC=C(C=C2)C(N/N=C/C3=CC=CC=C3)=O,0.0
68395,CO-ADD:0157237,-3.45,O=C1/C(N=C(C2=CC=C(Cl)C=C2)O1)=C/C3=CC=CC(C)=C3,0.0
68396,CO-ADD:0157441,-3.45,[O-][N+](C1=CC(C(N/N=C/C2=CC=C(O2)SC3=NC(C=CC=C4)=C4N3)=O)=CC=C1)=O,0.0
68397,CO-ADD:0158106,-3.45,S=C(N(CC=C)CC=C)OC(C(Cl)=C1)=C(Cl)C=C1C(OC)=O,0.0
68398,CO-ADD:0158114,-3.45,O=S(N(CC(N/N=C/C1=CC=CC=C1OCCCCC)=O)C(C=CC=C2)=C2OC)(C3=CC=CC=C3)=O,0.0
68399,CO-ADD:0157374,-3.45,N#CC(C(C)=C1)=C(SCC(NC2=CC(C)=CC=C2)=O)N=C1C(F)(F)F,0.0
68400,CO-ADD:0156926,-3.45,O=C(NC(CC1=CC=CC=C1)C(O)=O)/C(NC(C)=O)=C\C2=CC=CC=C2,0.0
68401,CO-ADD:0331370,-3.45,C(C(O)=O)C(c1ccc(cc1)OC)NC(Cc2ccccc2)=O,0.0
68402,CO-ADD:0156958,-3.45,N#CC1=C(SCC(C(C)(C)C)=O)N=C(N)N=C1SC,0.0
68403,CO-ADD:0158055,-3.45,O=S(NC(CC1=CC=CC=C1)C(NCC)=O)(C(C=C2)=CC=C2I)=O,0.0
68404,CO-ADD:0332519,-3.45,c1(ccccc1Oc2ccccc2OC)C(OC)=O,0.0
68405,CO-ADD:0331969,-3.46,n1c(C(C)C)ccc(C#N)c1SCC(=O)N(c2ccccc2)c3ccccc3,0.0
68406,CO-ADD:0330954,-3.46,c1(C(O)=O)sc2c(c(COC)cc(C)n2)c1n3cccc3,0.0
68407,CO-ADD:0330881,-3.46,c1(cnc(n2)NCc3ccccc3)c2CC(c4ccc(cc4)F)CC1=O,0.0
68408,CO-ADD:0326548,-3.46,n1(CN2CCCCC2)nnc(c3ccc(c(OC)c3)OC)n1,0.0
68409,CO-ADD:0328354,-3.46,C(Nc1ccc(cc1C)C)(OC(C)=CC2=O)=C2C(C)=O,0.0
68410,CO-ADD:0327893,-3.46,S(NCC)(=O)(=O)c1c(OC)ccc(OC)c1,0.0
68411,CO-ADD:0326144,-3.46,n1(O)c(c2ccc(cc2)OCc3ccccc3F)nc(C)c1C(C)=O,0.0
68412,CO-ADD:0326016,-3.46,S(=O)(=O)(N(CCC)CCC)c(cc1)ccc1C(=O)OCC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
68413,CO-ADD:0326064,-3.46,c1(nc(c2n1CC(=O)Nc3ccccc3OC)cccc2)c4nonc4N,0.0
68414,CO-ADD:0326072,-3.46,c1(C(O)=O)cc(c2cccs2)nc(ccc(cccc3)c34)c14,0.0
68415,CO-ADD:0327321,-3.46,C12(SCC(=O)N1c(cc3)ccc3C(=O)NCc4ccccc4)c5c(NC2=O)cccc5,0.0
68416,CO-ADD:0327314,-3.46,N1(CN(CC2)CCO2)c(cccc3)c3\C(=N\NC(=S)Nc(cc4)ccc4OC)\C1=O,0.0
68417,CO-ADD:0327330,-3.46,N1(Cc2ccccc2F)c3c(OC1=O)ccc(Cl)c3,0.0
68418,CO-ADD:0329545,-3.46,N1(c2ccccc2[N+](=O)[O-])C3C(N=N1)C(C(C4C5=O)C(N5c6ccc(cc6)C)=O)CC34,0.0
68419,CO-ADD:0327642,-3.46,c(nn(c12)c(C)c(c(C)n1)C)(S(=O)(=O)Nc3cccc(C)c3C)n2,0.0
68420,CO-ADD:0329363,-3.46,c1(c(N)c2c(nc(cc2c3ccccc3)c4cccs4)s1)S(=O)(=O)Cc(cc5)ccc5Cl,0.0
68421,CO-ADD:0329749,-3.46,C1(C(F)(F)F)(C(F)(F)F)N=C(C)NC2=C1C(=O)NC(N2c3ccc(cc3)OC)=O,0.0
68422,CO-ADD:0328741,-3.46,S(=O)(=O)(N(C)C)c(c(Cl)cc(c1C(=O)Nc(cc2)ccc2OC)Cl)c1,0.0
68423,CO-ADD:0327211,-3.46,C1(=O)Oc2c(C(C)=C1C)ccc(c2)OC(C)C(OCC)=O,0.0
68424,CO-ADD:0327243,-3.46,c(c1ccc2NC(c3ccccc3)=O)(N(CC(C45)CC=C4)CC(CC=C6)C16)c25,0.0
68425,CO-ADD:0157184,-3.46,O=C(C1=CC=C(Cl)C=C1)NC(C=C2Cl)=C(OC)C=C2NC(COC3=CC(C)=CC=C3)=O,0.0
68426,CO-ADD:0157192,-3.46,N#C/N=C(N)\CSC1=C(C#N)C(C(F)(F)F)=CC(C2=CC=CC=C2)=N1,0.0
68427,CO-ADD:0331179,-3.46,c1(Cc2ccccc2)nc(c3n1CC(C)C)cccc3,0.0
68430,CO-ADD:0156922,-3.46,O=C(C1=CC(OC)=C(OC)C=C1)N2C(C)CC3=CC=CC=C23,0.0
68431,CO-ADD:0158079,-3.46,O=C(C(C)=C)NC(C=C1)=CC=C1SC2=CC=C(C=C2)NC(C(C)=C)=O,0.0
68432,CO-ADD:0330890,-3.46,c(C(NCCc1ccccc1)=O)(c2N)sc3c2cc(c4n3)CCCC4,0.0
68433,CO-ADD:0331403,-3.46,C1(N\C=C(\C(=O)NC(N2c(cc3)ccc3C(C)C)=O)/C2=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
68434,CO-ADD:0331136,-3.46,n1(Cc(cc2)ccc2C)c3c(nc1COc4ccc(cc4Cl)Cl)cccc3,0.0
68435,CO-ADD:0331509,-3.47,N1(c(cccc2C(F)(F)F)c2)C(C)=Nc3c(cc(cc3Cl)Cl)C1=O,0.0
68436,CO-ADD:0326580,-3.47,N1(CCc(ccc(c2OC)OC)c2)C(N)=CC(NC1=O)=O,0.0
68437,CO-ADD:0326092,-3.47,N1(C(=O)CSc(oc(c2c3ccccc3)c4ccccc4)n2)c5c(cccc5)Sc(ccc(Cl)c6)c16,0.0
68438,CO-ADD:0327854,-3.47,N1(CCN)C(=O)\C(\SC1=O)=C/c2cccs2.Cl,0.0
68439,CO-ADD:0327638,-3.47,C(F)(F)(F)Oc(cc1)ccc1NC(=O)CCN(CC2)CCO2.Cl,0.0
68440,CO-ADD:0326497,-3.47,n1(N)c(SCC(=O)Nc2ccc(cc2Cl)Cl)nnc1c(cc3)ccn3,0.0
68441,CO-ADD:0326113,-3.47,N1(C(c2ccco2)CC(O)=O)C(=O)C3C(CC(CC3)C)C1=O,0.0
68442,CO-ADD:0328100,-3.47,S(=O)(=O)(c(cc1)ccc1C2CCCCC2)Nc(cc3)ccc3CC(O)=O,0.0
68443,CO-ADD:0328421,-3.47,C1(O)(Cc2ccccc2)c3c(C(=O)N1CCCO)cccc3,0.0
68444,CO-ADD:0328093,-3.47,C1(=O)Nc2c(Oc(cc(cc3Oc(cc4)ccc4C)[N+](=O)[O-])c13)ccc(Cl)c2,0.0
68445,CO-ADD:0329267,-3.47,S(=O)(=O)(c1ccc(cc1)C)NC(S\C(\C2=O)=C/c3ccccc3)=N2,0.0
68446,CO-ADD:0327611,-3.47,C1(C)(\C(=C(\C)/C)\CC2)C2(C)OC(=O)C1Cc3ccccn3.Cl,0.0
68447,CO-ADD:0327643,-3.47,c12n(nc(SCC(O)=O)n1)c(c(C)c(C)n2)C,0.0
68448,CO-ADD:0326874,-3.47,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc4cc(OC)c(cc4C(C)=O)OC)n2,0.0
68449,CO-ADD:0327877,-3.47,S(=O)(=O)(N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NCCc(ccc(c3OC)OC)c3)c4ccc(Br)s4,0.0
68450,CO-ADD:0328272,-3.47,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3c(C)cc(c(OC)c3)C,0.0
68451,CO-ADD:0328320,-3.47,c1(nc(oc1N2CCCCC2)C)S(=O)(=O)c3ccc(cc3)C,0.0
68452,CO-ADD:0328233,-3.47,S(c1ccccc1)(=O)(=O)c2c(O)cc(c(c2)NS(=O)(=O)c3ccc(cc3)OC)C,0.0
68453,CO-ADD:0157539,-3.47,O=C(OCC)C1=C(CN2CCN(C)CC2)N(C3=C1C=C(O)C(Br)=C3)C4CCCCC4,0.0
68454,CO-ADD:0157899,-3.47,[O-][N+](C(C=C1)=CC=C1C2=CC=C(/C=N/C3=CC=C(C=C3)C(O4)=NC5=C4C=CC(Cl)=C5)O2)=O,0.0
68455,CO-ADD:0157783,-3.48,O=C(N/N=C/C1=CC=C(C(Br)=C1)OC)C2=CC=CN=C2,0.0
68456,CO-ADD:0332450,-3.48,c12c(c(\C(=N\C)\C=C1)c(NC)cc3)c3c(c4ccccc4)cc2c5ccccc5,0.0
68457,CO-ADD:0332018,-3.48,N1(CCC(c(cccc2)c12)=O)C(=O)c3ccccc3F,0.0
68458,CO-ADD:0332587,-3.48,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C(=O)c(cc4)ccc4C(C)(C)C)[N+](=O)[O-],0.0
68459,CO-ADD:0331587,-3.48,n1(n2)c(NC(c3ccc(cc3)OC)CC1C(F)(F)F)cc2C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
68460,CO-ADD:0331211,-3.48,C(C#N)(=C(C)C(C(OCC)=O)=NN1c2ccc(c(Cl)c2)C)C1=O,0.0
68461,CO-ADD:0331259,-3.48,c1(N(CC2)CCO2)nc(OC)nc(OCC#N)n1,0.0
68462,CO-ADD:0163542,-3.48,C(COc(cc1)ccc1C)(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
68463,CO-ADD:0163654,-3.48,[N+](=O)([O-])c1cccc(\C=N\NC(COc2c(C)cccc2C)=O)c1O,0.0
68464,CO-ADD:0157391,-3.48,[O-][N+](C1=CC(/N=C/C(C(O)=C2)=CC=C2Cl)=C(C)C=C1)=O,0.0
68465,CO-ADD:0157656,-3.48,N#CC1=C(SCC(NC2=C(I)C=C(C)C=C2)=O)N=C(C3=CC=CS3)C=C1C4=CC=C(F)C=C4,0.0
68466,CO-ADD:0156948,-3.48,S=C(OC1=CC=C(C=C1)C(NC(C=CC=C2)=C2F)=O)NC3=CC=C(F)C=C3,0.0
68467,CO-ADD:0158063,-3.48,S=C(N(CC)CC)OC1=CC=C(C=C1)C(NC(C=C2)=CC=C2OC)=O,0.0
68468,CO-ADD:0154991,-3.48,O=C(C1=C(C)C=C(C)C=C1)C2=C(N)C(C(C(F)(F)F)=CC(C3=CC=CS3)=N4)=C4S2,0.0
68469,CO-ADD:0155687,-3.48,CC(C=C1)=C(OC)C=C1/C=N/NC2=NN=NN2C3=CC=CC=C3,0.0
68470,CO-ADD:0155023,-3.48,N#C/C(C(OCC)=O)=C/C=C1C2=C(N(CCCCCCCCCCCCCCCC)C=C\1)C=CC=C2,0.0
68471,CO-ADD:0155727,-3.48,BrC1=C(O)C(/C=N/C2=CC=C3C(N=C(C4=CC(C=CC=C5)=C5C=C4)O3)=C2)=CC(C)=C1C,0.0
68472,CO-ADD:0160176,-3.48,O=S(NC1=CC=C(C=C1)C2=NC(C=C3)=C(C=C3C)S2)(C(C=C4)=CC=C4[N+]([O-])=O)=O,0.0
68473,CO-ADD:0332458,-3.48,c1(CC(C)(C)NC2=O)c2cc(C)c(C)c1C,0.0
68474,CO-ADD:0331746,-3.48,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5ccc(CC)s5,0.0
68475,CO-ADD:0327670,-3.48,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3C4CCCCC4)c5ccccc5,0.0
68476,CO-ADD:0329031,-3.48,C1(CNC(=O)c2ccc(cc2)Cl)=C(C)C=C(NC1=S)C,0.0
68477,CO-ADD:0326396,-3.48,c(N1CCC(CC1)C)(c(Cl)c2Cl)c(Cl)c(n2)Cl,0.0
68478,CO-ADD:0326129,-3.48,[N+](=O)([O-])c1cc(ccc1OC)CSc2cccc(cccn3)c23,0.0
68479,CO-ADD:0326545,-3.48,S(=O)(=O)(c(cc1)ccc1C(=O)N2CCCCC2c(cccn3)c3)N(CC4)CCO4,0.0
68480,CO-ADD:0326314,-3.48,P1(=S)(OCCO1)\N=C(/C=CC=C2)\N2CC,0.0
68481,CO-ADD:0329364,-3.48,N1(C(C(C)C)C(=O)OC2CSCC2NC(c3ccccc3)=O)C(=O)c4c(cccc4)C1=O,0.0
68482,CO-ADD:0329228,-3.48,n1c(c2ccc(cc2)C)nnn1CC(=O)NC(C)(CC)C#C,0.0
68483,CO-ADD:0329857,-3.48,n1(cnc2c3cnn2Cc4ccccc4)c3nnc1c5ccc(cc5)OC,0.0
68484,CO-ADD:0327514,-3.49,c1(SCC(=O)N2c3c(C(CN(C)CC4)C24)cc(C)cc3)nc(c5n1c6ccccc6)cccc5,0.0
68485,CO-ADD:0327467,-3.49,N(C(=O)\C(\S1)=C/c(cc2)ccc2OC(C)C)=C1N(CC3)CCN3c4ccccc4,0.0
68486,CO-ADD:0326122,-3.49,N1(c2ccc(cc2)Br)C(=O)\C(\SC1=N)=C\c3c[nH]nc3c4ccc(cc4)F,0.0
68487,CO-ADD:0157903,-3.49,ClC(C=C(Cl)C=C1)=C1C2=CC=C(/C=N/C3=CC(N=C(C4=CC=CC=C4)O5)=C5C=C3)O2,0.0
68488,CO-ADD:0157484,-3.49,O=C1NC(NC2=CC=CC=C2OC)=CC(N1)=O,0.0
68489,CO-ADD:0332595,-3.49,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCN4C,0.0
68490,CO-ADD:0332204,-3.49,C1(C(=O)OC(C)CC)=C(C)NC(NC1c2ccccc2Br)=O,0.0
68491,CO-ADD:0332316,-3.49,c1(cnc(CCCCC2)n12)c(cc(C(C)(C)C)c(c3C(C)(C)C)O)c3.Cl,0.0
68492,CO-ADD:0332236,-3.49,C1(C(OCCC)=O)=C(C)NC(NC1c2cc(Br)ccc2OC)=O,0.0
68493,CO-ADD:0332540,-3.49,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c4cccc(Br)c4,0.0
68494,CO-ADD:0330996,-3.49,N12C(C=CC=C1C)=NC(CC2(C)C(O)=O)=O,0.0
68495,CO-ADD:0331983,-3.49,C(C(OC)=O)(Nc1ccccn1)(NC(CC)=O)C(F)(F)F,0.0
68496,CO-ADD:0332479,-3.49,C1(C#N)=C(c2ccc(cc2)OC)C=C(c3ccco3)NC1=O,0.0
68497,CO-ADD:0332511,-3.49,N(CCOCc1ccccc1)CCOCC,0.0
68498,CO-ADD:0163548,-3.49,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(COc2ccccc2C)=O,0.0
68499,CO-ADD:0163292,-3.49,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c2ccccc2,0.0
68500,CO-ADD:0157659,-3.49,N#CC1=C(SCC(NC2=CC(NC(C)=O)=CC=C2)=O)N=C(C3=CC=CS3)C=C1C4=CC=C(Cl)C=C4,0.0
68501,CO-ADD:0156939,-3.49,ClC1=CC2=C(C=C1)OC(N(C)C)=N2,0.0
68502,CO-ADD:0155319,-3.49,O=C(C(C=C1)=CC=C1NC(CCCCCCC)=O)NC2=CC=C(O)C=C2,0.0
68503,CO-ADD:0331093,-3.49,n1(Cc2ccc(cc2Cl)Cl)c3c(nc1c4cccs4)cccc3,0.0
68504,CO-ADD:0331308,-3.49,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)OC)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
68505,CO-ADD:0155247,-3.49,O=C1C2[C@@H]3[C@]([C@@H](C=C3)[C@H]2C(O1)=O)(C4)C4C5C(C(F)(F)C5)(F)F,0.0
68506,CO-ADD:0155712,-3.49,O=C(C(C1=CC=CC=C12)=CC=C2F)NC(C(C)=C3)=C(C)C=C3Br,0.0
68507,CO-ADD:0332382,-3.49,c1(c2c(C3=O)cccc2)c3c4c(cccc4)nc1c5ccccc5,0.0
68508,CO-ADD:0331952,-3.49,S(=O)(=O)(Nc(cc1)ccc1OCC(O)=O)c2c(OC)ccc(OC)c2,0.0
68509,CO-ADD:0326149,-3.49,c1(NC(COc(cc2)ccc2CC)=O)cc(on1)C,0.0
68510,CO-ADD:0326581,-3.5,n1(c(CC)nn2)c2SCC(c(ccc(c34)OCCO3)c4)=N1,0.0
68511,CO-ADD:0326691,-3.5,c12c(ccc(C(=O)Nc3cccc(C)c3)c1SCC)C(=O)c(c4C2=O)cccc4,0.0
68512,CO-ADD:0326747,-3.5,C1(c2csc(\C(\C#N)=N\Nc3ccccc3C(OC)=O)n2)=C(C)N(N(c4ccccc4)C1=O)C,0.0
68513,CO-ADD:0326804,-3.5,c1(CN(c2ccc(cc2)OC)C(=O)Nc3cccc(Cl)c3)nnc(CCCCC4)n14,0.0
68514,CO-ADD:0327735,-3.5,c1(Cl)n(C)nc(C)c1CNCCc(c2c([nH]3)ccc(OC)c2)c3C,0.0
68515,CO-ADD:0328481,-3.5,N1(C(C)(C)C=C(c(cc(OC)cc2)c12)C)C(=O)Nc(cc3)ccc3C,0.0
68516,CO-ADD:0328489,-3.5,n1c(CC(=O)NC2(CCCCC2)C(=O)Nc3ccccc3)[nH]nc1N,0.0
68517,CO-ADD:0327920,-3.5,c1(N2CC2)nc(Cl)nc(N(CC3)CCO3)n1,0.0
68518,CO-ADD:0327857,-3.5,N(C(=O)c(ccc(c1Br)OC)c1)C(=S)Nc(cc2)ccc2C(=O)OC(C)C,0.0
68519,CO-ADD:0327897,-3.5,C(=O)(c(cc1OC)cc(c1OC)OC)Nc2cc(OC)c(cc2Cc3nccc(cc(c(OC)c4)OC)c34)OC,0.0
68520,CO-ADD:0329211,-3.5,[N+](=O)([O-])c1ccc(cc1C)C(NCCc(c2c([nH]3)cccc2)c3C)=O,0.0
68521,CO-ADD:0327571,-3.5,c1(Cl)nc(Cl)cc(C)c1C(=O)NCc2ccccc2,0.0
68522,CO-ADD:0327579,-3.5,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C\c(c(C)[nH]c3C#N)c3C,0.0
68523,CO-ADD:0329123,-3.5,N#CCc(cc1)ccc1NC(COc(cc2)ccc2Cl)=O,0.0
68524,CO-ADD:0328604,-3.5,C1(=O)c2c(cc(cc2[N+](=O)[O-])Oc3ccccc3)Oc(cccc4)c4N1Cc(cc5)ccc5[N+](=O)[O-],0.0
68525,CO-ADD:0329807,-3.5,N1(N)C(SCC(=O)Nc2cccc(Cl)c2)=NN=C(C)C1=O,0.0
68526,CO-ADD:0326487,-3.5,n1(c2c(C)cccc2C)nnnc1C(C)(CC)NCCc(c3c([nH]4)cccc3)c4C,0.0
68527,CO-ADD:0328594,-3.5,c1([nH]nc(C)c1c2ccccc2)NC(=O)C(C(F)(F)F)C(F)(F)F,0.0
68528,CO-ADD:0328314,-3.5,N1(C(=O)C(C2C1=O)C(CC23)C=C3)C(=C4)C(=O)NC(=O)N4C(C)=O,0.0
68529,CO-ADD:0157032,-3.5,N#CC1=C(SCC(NC2=CC(C)=CC=C2)=O)N=C(C3=CC=CS3)C=C1C4=CC=CS4,0.0
68530,CO-ADD:0157048,-3.5,O=C(NC1=CC(C(F)(F)F)=CC=C1)C2=C(N)C(C(C(F)(F)F)=CC(C3=CC=CS3)=N4)=C4S2,0.0
68531,CO-ADD:0157313,-3.5,O=C(N/N=C/C1=CC=C(OCCCC)C=C1)C(C)OC2=C(C=CC=C3)C3=CC=C2,0.0
68532,CO-ADD:0157121,-3.5,O=C1N(C2=CC=CC(F)=C2)C(C(C=C3)=CC=C3F)SC1,0.0
68533,CO-ADD:0331391,-3.5,n1(Cc2cccc(C)c2)c3c(nc1COc(cc4)ccc4C)cccc3,0.0
68534,CO-ADD:0331319,-3.5,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)OC)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
68535,CO-ADD:0330879,-3.5,c1(Nc(cc2)ccc2F)nc(C)cc(C)c1C(N)=O,0.0
68536,CO-ADD:0332568,-3.5,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCN4Cc5ccccc5,0.0
68537,CO-ADD:0331755,-3.5,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(=O)OCC6CCCO6,0.0
68538,CO-ADD:0331740,-3.51,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c(ccc(c34)OCO3)c4,0.0
68539,CO-ADD:0157443,-3.51,O=C(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)N/N=C/C2=C(O)C(Cl)=CC(Cl)=C2,0.0
68540,CO-ADD:0155669,-3.51,O=C(N/N=C/C1=CC=C(C=C1)C(OC)=O)C2OC(C=CC=C3)=C3OC2,0.0
68541,CO-ADD:0155717,-3.51,O=C(CN1CCCCCC1)NC2=C(C)C=CC=C2C.Cl,0.0
68542,CO-ADD:0155045,-3.51,[O-][N+](C1=CC(OC2=CC=C(C=C2)C(NC3=NC4=C(C=CC=C4)N3CCN(CC)CC)=O)=CC(OC5=CC=CC(Cl)=C5)=C1)=O,0.0
68543,CO-ADD:0155741,-3.51,OC1=C(CN2CCCCCC2)C=C(C=C1)C3=CC=CC=C3,0.0
68544,CO-ADD:0155184,-3.51,O=C1OC(C2=CC=CC=C2F)=N/C1=C\C3=CC=C4C=CC=CC4=C3,0.0
68545,CO-ADD:0331309,-3.51,C1(C(F)(F)F)(NC(c(cc2)ccn2)=O)C(=O)N(C(=O)N1)c3ccc(cc3)OC(F)(F)F,0.0
68546,CO-ADD:0155200,-3.51,[O-][N+](C1=CC(/C=N/C2=CC(N=C(C(C=C3)=CC=C3I)O4)=C4C=C2)=CC=C1)=O,0.0
68547,CO-ADD:0331325,-3.51,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)OC)C(=O)N(C(=O)N1)c3ccc(cc3)OC,0.0
68548,CO-ADD:0155256,-3.51,O=C(NC1=NC(C2=CC(F)=C(F)C=C2)=CS1)C(F)(F)C(F)(F)C(F)(F)F,0.0
68549,CO-ADD:0154993,-3.51,N#CC(C(C(F)(F)F)=C1)=C(SCC(C2CC2)=O)N=C1C3=CC=CC=C3,0.0
68550,CO-ADD:0332504,-3.51,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(NCCOc2ccccc2)=O)c1,0.0
68551,CO-ADD:0328658,-3.51,S(c1ccccc1)(=O)(=O)c(cc2)ccc2C(=O)N(CC3)CCN3C45CC6CC(CC(C6)C4)C5,0.0
68552,CO-ADD:0326382,-3.51,[nH](c(ccc(c1)OC)c1c2CCNCc(ccc(c3C)OC)c3OC)c2C,0.0
68553,CO-ADD:0328362,-3.51,S(=O)(=O)(c1ccc(cc1)C)NCc(cc2)ccn2,0.0
68554,CO-ADD:0327700,-3.51,c(cc(OC1=O)c2N1[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)cc2,0.0
68555,CO-ADD:0327708,-3.51,C1(C)(C(Br)C(=O)c2ccc(cc2)Cl)C(=O)OC(C(C)(C)C1=O)c3ccc(cc3)Br,0.0
68556,CO-ADD:0327244,-3.51,c1(CN(CC2)CCO2)c(C(C)(C)C)oc(C)c1C(O)=O.Cl,0.0
68557,CO-ADD:0328450,-3.51,c1(c(OC)cc(cc1OC)OC)CN(CCc(c2c([nH]3)ccc(OC)c2)c3C)C(=O)Cc(ccc(c4O)OCC)c4,0.0
68558,CO-ADD:0328300,-3.51,C(C(C)=O)(C1c2ccc(c(OCC)c2)O)=C(O)C(N1c3ccc(c(Br)c3)C)=O,0.0
68559,CO-ADD:0328330,-3.51,N(c1cccc(C)c1)(C(=O)C(C23)C(c4cccc(OC)c4O)NC2(CC(C)C)C(O)=O)C3=O,0.0
68560,CO-ADD:0327956,-3.51,C(O)(C(F)(F)F)(C(F)(F)F)c1c(C)cc(c(Cl)c1)O,0.0
68561,CO-ADD:0331283,-3.51,C1(Nc(cccc2C(O)=O)c2)=C(OC)C(c(cccc3)c3C1=O)=O,0.0
68562,CO-ADD:0157532,-3.51,N#CC1=C(N)OC2=C(C=C(/C=N/C3=CC=CC(OC)=C3)C(O)=C2)C1C4=CC=CC(I)=C4,0.0
68563,CO-ADD:0157337,-3.52,ClC1=CC=CC=C1/C=N/C2=CC(N=C(C(C=C3)=CC=C3C)O4)=C4C=C2,0.0
68564,CO-ADD:0157608,-3.52,O=C(NC(C=C1)=CC=C1Br)CSC2=NC(C=C3)=C(C=C3OCC)S2,0.0
68565,CO-ADD:0331116,-3.52,C(C#N)(=C1C)C(=O)N(N=C1C(OCC)=O)c2ccc(cc2)F,0.0
68566,CO-ADD:0331204,-3.52,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3C(CCC)=O)n2)Cc(ccc(c4OCC)OCC)c4,0.0
68567,CO-ADD:0331205,-3.52,c1(N(CC2)CCO2)nsnc1OCC(=O)Nc(ccc(c34)OCCO3)c4,0.0
68568,CO-ADD:0163263,-3.52,C(=O)(N\N=C\c(cc1)ccc1OCCC)c2ccc(cc2)OCc3ccccc3,0.0
68569,CO-ADD:0163071,-3.52,N1(CCO)C(=O)c(c2C1=O)ccc(C(=O)c(cccc3[N+](=O)[O-])c3)c2,0.0
68570,CO-ADD:0163687,-3.52,C(=O)(Nc(cc1)ccc1OCCCCC)c2ccccc2c3ccccc3,0.0
68571,CO-ADD:0157365,-3.52,O=C(C1=CC=C(F)C=C1)NC2=C(C=CC=C2)C(N/N=C/C3=CC=C(OCC)C=C3)=O,0.0
68572,CO-ADD:0157381,-3.52,O=C(N/N=C(C)/CC(NC1=CC=C(Cl)C=C1)=O)C(NC2=C(OC)C=CC(OC)=C2)=O,0.0
68573,CO-ADD:0156933,-3.52,ClC(C=C(Cl)C=C1)=C1/C=N/C2=C(C3=CC(OC)=C(O)C=C3)N=C4N2C=CC=C4,0.0
68574,CO-ADD:0157413,-3.52,O=C(N/N=C/C1=CC=C2C=CC=CC2=C1)C3=CC=CN=C3,0.0
68575,CO-ADD:0156941,-3.52,O=C(N/N=C/C1=CC2=CC=CC=C2C=C1)COC3=C(Br)C=C(Br)C=C3Br,0.0
68576,CO-ADD:0156965,-3.52,N#CC1=C(SCC2=CC(Cl)=C(Cl)C=C2)N=C(N)N=C1SC,0.0
68577,CO-ADD:0155721,-3.52,O=C(O1)C(C(OCC(C2=CC=C(Cl)C=C2)=O)=O)=CC3=C1C=CC=C3,0.0
68578,CO-ADD:0155729,-3.52,O=C1NC2=CC(/N=C/C(C=C3)=CC=C3OC)=CC=C2N1,0.0
68579,CO-ADD:0155353,-3.52,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCC(N/N=C/C3=CC=CC=C3F)=O,0.0
68580,CO-ADD:0155361,-3.52,[O-][N+](C(C=C1)=CC=C1NC(OC2(C[C@H]3C4)C[C@H]4C[C@H](C3)C2)=O)=O,0.0
68581,CO-ADD:0329977,-3.52,N1(c2ccccc2C)C(=S)NN=C1Cc3cccs3,0.0
68582,CO-ADD:0329330,-3.52,N(c1ncccn1)C(=O)C(C)Oc2ccc(cc2Cl)Cl,0.0
68583,CO-ADD:0329378,-3.52,c12c(cc(OC)c(OC)c1)N=C(OC2=O)\C=C\c(cccc3[N+](=O)[O-])c3,0.0
68584,CO-ADD:0326820,-3.52,[nH]1c(C)c(c(cccc2F)c12)CCN.Cl,0.0
68585,CO-ADD:0326708,-3.52,N1(C(=O)CC(CS2(=O)=O)C1C2)c3c(OCC)cc(c(OCC)c3)NC(c4ccccc4)=O,0.0
68586,CO-ADD:0328379,-3.52,c12c(ccc(O)c1I)C(C)=C(C(=O)O2)C,0.0
68587,CO-ADD:0328987,-3.52,N1(CN(CC2)CCC2C(OCC)=O)c(cccc3)c3\C(=N\c4ccccc4C)\C1=O,0.0
68588,CO-ADD:0329218,-3.52,c1(C(OC)=O)oc(c2c1n3cccc3)ccc(Cl)c2,0.0
68589,CO-ADD:0329986,-3.52,C1(=O)N(C)c2c(Oc(cc(cc3[N+](=O)[O-])Oc4ccccc4)c13)cccc2,0.0
68590,CO-ADD:0326758,-3.52,c1(C(=O)c2ccc(cc2)Cl)cn(nc1C(OCC)=O)c3cccc(C)c3,0.0
68591,CO-ADD:0328471,-3.52,c1(c2c([nH]c1)cccc2)c3c(C(C)=O)c(C)nc(SCC(=O)N(CC)CC)c3C#N,0.0
68592,CO-ADD:0329871,-3.52,N(C(=O)\C(\S1)=C/c(cc2)ccc2Cl)=C1N(CCCC3C(OCC)=O)C3,0.0
68593,CO-ADD:0329366,-3.52,[N+](=O)([O-])c(cc(Sc1ccccc1)c(c23)C=Cc(cccc4)c4O2)c3,0.0
68594,CO-ADD:0329254,-3.52,c1(n2)c(ccc(COC(=O)c(c3c4cccc3)cc(n4)c5ccccc5)c1)no2,0.0
68595,CO-ADD:0329742,-3.53,C1(C(F)(F)F)(NC(=O)c2ccccc2F)C(=O)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
68596,CO-ADD:0329246,-3.53,C1(C2=O)C(C(NC1(C)C(O)=O)c3cccc(OC)c3O)C(N2c4ccc(cc4)OC)=O,0.0
68597,CO-ADD:0329895,-3.53,S(=O)(=O)(c1c(C)cc(cc1C)C)N2CCCCC2c(cccn3)c3,0.0
68598,CO-ADD:0325922,-3.53,C(OC)(F)(C(F)(F)F)C(=O)Nc1ccc(cc1OC)OC,0.0
68599,CO-ADD:0157800,-3.53,O=C(COC1=CC(C)=CC=C1)N/N=C/C(C(O)=C2)=C(C)C=C2O,0.0
68600,CO-ADD:0157812,-3.53,[O-][N+](C1=C(O)C(/C=N/C2=CC=C(C=C2)C3=NC(C=CC=C4)=C4N3)=CC(C)=C1)=O,0.0
68601,CO-ADD:0157820,-3.53,[O-][N+](C1=C(O)C(/C=N/C2=CC=C(C=C2)C3=NC(C=C4Cl)=C(C=C4)O3)=CC(C)=C1)=O,0.0
68602,CO-ADD:0157581,-3.53,O=C(C1)N(C2=CC=C(Cl)C=C2)CC1C(NC3CCCCC3)=O,0.0
68603,CO-ADD:0332438,-3.53,C(/N1)(=C/C(OCC)=O)\c(cc(C)c(c2C)C)c2CC1(C)C,0.0
68604,CO-ADD:0332351,-3.53,c1(ccc(\C=C/C(=O)N(CC2)CCO2)o1)c3cc(Cl)ccc3Cl,0.0
68605,CO-ADD:0332032,-3.53,N1(c(ccc(c2)OC)c2S3)C3=NC(N(c4cccc(Cl)c4)C1=O)=O,0.0
68606,CO-ADD:0163224,-3.53,c1(N\N=C/c(cc2)ccc2Cl)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
68607,CO-ADD:0163616,-3.53,c1(\C=N\NC(=O)c2cccc(O)c2)cc(Br)cc(Br)c1OCC(O)=O,0.0
68608,CO-ADD:0163057,-3.53,S(=O)(=O)(NCc1ccccc1)c2c(OC)ccc(c2)S(=O)(=O)NCc3ccccc3,0.0
68609,CO-ADD:0163665,-3.53,[N+](=O)([O-])c(cc1)ccc1c2ccc(cc2)NC(=O)Nc(ccc(c3Cl)Cl)c3,0.0
68610,CO-ADD:0158038,-3.53,[O-][N+](C(C=C1)=CC=C1CC(N/N=C/C=C(O)/C2=CC=C(Br)C=C2)=O)=O,0.0
68611,CO-ADD:0156944,-3.53,O=C(OCC1=CC=CC=C1)NC(C(OCC(C2=CC=CC=C2)=O)=O)CC(N)=O,0.0
68612,CO-ADD:0157432,-3.53,[O-][N+](C(C=C1)=CC=C1CSC2=NC(C3=CC=CC=C3)=CN2)=O,0.0
68613,CO-ADD:0157448,-3.53,O=C1N(C2=CC=CC=C2)C(SC(C)C(NC3=C(C)C=C(C)C=C3C)=O)=NC(S4)=C1C5=C4CCCC5,0.0
68614,CO-ADD:0330994,-3.53,N1(Cc2ccccc2)C(=O)c3c(c(ccc4[N+](=O)[O-])C1=O)c4ccc3,0.0
68615,CO-ADD:0155674,-3.53,[O-][N+](C1=CC=CC=C1OCC(N/N=C/C2=CC=C(C3=CC(Cl)=C(Cl)C=C3)O2)=O)=O,0.0
68616,CO-ADD:0155722,-3.53,ClC1=CC(/C=N/C2=CC=C(C=C2)C3=NC(C=C4)=C(C=C4C)S3)=CC=C1Cl,0.0
68617,CO-ADD:0158387,-3.53,O=C1C(Cl)=C(NC(C2=CC=CC=C2)=O)C(NC(C3=CC=CC=C3)=O)O1,0.0
68618,CO-ADD:0158315,-3.53,O=C(NC1=C(Cl)C=C(Cl)C=C1)NC2=CC=CC=C2C(OCC)=O,0.0
68619,CO-ADD:0326704,-3.53,c(c1C)(c2C)c(c(nn1)C)c(n2c3ccc(c(N)c3)C)C,0.0
68620,CO-ADD:0326744,-3.53,C(=S)(Nc(cc1)ccc1OC([H])(F)F)NN(CC2)CCO2,0.0
68621,CO-ADD:0326241,-3.53,C(=O)(N1CCCC1)CC(c2ccccc2OC)c(ccc(c34)OCO3)c4,0.0
68622,CO-ADD:0326617,-3.53,n1(c2ccccc2)nnnc1SCC(NCCOC(C3)(C4)CC(CC4CC35)C5)=O,0.0
68623,CO-ADD:0326037,-3.53,c1(c2c(cccc2Cl)Cl)nnc(ccc(N(CC3)CCO3)n4)n14,0.0
68624,CO-ADD:0326445,-3.54,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)NCc(cc4)ccc4F)n2,0.0
68625,CO-ADD:0328083,-3.54,c1(cc(F)c(cc1N(CC2)CCN2C)N(CC)CC)[N+](=O)[O-],0.0
68626,CO-ADD:0328099,-3.54,S(=O)(=O)(NC(c1ccccc1Cl)CC(OCC)=O)c2c(C)cc(c(C)c2)OC,0.0
68627,CO-ADD:0329510,-3.54,C1(C(=O)NC(N2Cc3ccco3)=O)=C2NC(=NC1(C(F)(F)F)C(F)(F)F)CC,0.0
68628,CO-ADD:0326239,-3.54,c1(c2c([nH]c1)cccc2)C(CC(O)=O)C(O)=O,0.0
68629,CO-ADD:0326831,-3.54,c1(c2ccccc2O)nnc(c3ccc(cc3)F)o1,0.0
68630,CO-ADD:0329448,-3.54,c1(c2c([nH]c1)cccc2)C(=O)C(=O)NC(C)(C)C,0.0
68631,CO-ADD:0329656,-3.54,S1(=O)(=O)c2c(c3N1CC(=O)N(CC4)CCO4)c(ccc2)ccc3,0.0
68632,CO-ADD:0329399,-3.54,c1(SCCOc(cc2)ccc2C(C)(C)C)nc(c(C)n1c3ccccc3)C,0.0
68633,CO-ADD:0327295,-3.54,c1(C(C)=O)cc(OC)c(cc1O)OC,0.0
68634,CO-ADD:0328637,-3.54,c(cc1S(=O)(=O)N(C)C(CCS2(=O)=O)C2)cc(c1n3)ns3,0.0
68636,CO-ADD:0157150,-3.54,O=C(C1=CC=CC=C1C)N/N=C(C)/CC(NC2=C(C)C=C(C)C=C2C)=O,0.0
68637,CO-ADD:0326411,-3.54,C(=C\c(ccc1c2cccc(F)c2)o1)(/C(=O)N3C)\C(=O)N(C3=S)C,0.0
68638,CO-ADD:0157817,-3.54,[O-][N+](C1=CC(/C=N/NC(COC(C(Br)=C2)=CC=C2Cl)=O)=CC=C1)=O,0.0
68639,CO-ADD:0332545,-3.54,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)N(CC3)CCN3C(=O)c4ccccc4C,0.0
68640,CO-ADD:0331849,-3.54,C(NCC=C)(=S)NNC(=O)c1cccc(O)c1,0.0
68641,CO-ADD:0332191,-3.54,c12c(n(c(N(Cc3cccc(Br)c3)\N=C\c4cccc(cccc5)c45)n1)C)C(N(C)C(=O)N2C)=O,0.0
68642,CO-ADD:0332223,-3.54,C1(C(OCCCC)=O)=C(C)NC(NC1c2ccc(Br)s2)=O,0.0
68643,CO-ADD:0332384,-3.54,c1(cc(C#N)c(cc1Nc2cccc3c2cccn3)C#N)[N+](=O)[O-],0.0
68644,CO-ADD:0331699,-3.54,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)OC)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)OC)=O,0.0
68645,CO-ADD:0331060,-3.54,N1(Cc(cc2)ccc2C#N)c3c(OC1=O)cccc3,0.0
68646,CO-ADD:0331726,-3.54,S(C)(=O)(=O)Nc(cccc1\C=C\C(OC)=O)c1,0.0
68647,CO-ADD:0163089,-3.54,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)Nc3ccccn3,0.0
68648,CO-ADD:0163097,-3.54,[C@]1(C#N)(C#N)[C@H](c2ccc(cc2)OC)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(c5ccccc5)=O,0.0
68649,CO-ADD:0163681,-3.54,C(F)(F)(F)c(ccc(c1\N=C\c2cc(Cl)ccc2O)Cl)c1,0.0
68650,CO-ADD:0163546,-3.54,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(cc2)ccc2C)=O)c3ccco3,0.0
68651,CO-ADD:0157673,-3.54,O=C(NCC1=CC=C(C=C1)C(C)(C)C)NC(C=C2F)=C(Cl)C=C2F,0.0
68652,CO-ADD:0157705,-3.55,FC1=CC=C(C=C1)/C=N/C2=CC=C3N=C(SC)SC3=C2,0.0
68653,CO-ADD:0155253,-3.55,OC(C)(C)C#CC(O)C1=CN=CC=C1,0.0
68654,CO-ADD:0155662,-3.55,[O-][N+](C1=CC(Br)=CC(/C=N/C2=CC(O)=C(C=C2)C3=NC(C=CC=C4)=C4S3)=C1O)=O,0.0
68655,CO-ADD:0157067,-3.55,N#CC1=C(S/C2=C\C3=CC=CO3)N(C2=O)C(N)=C(C#N)C1C4=CC=CO4,0.0
68656,CO-ADD:0158475,-3.55,[O-][N+](C1=CC=C(/C=N/NC(C2=CC(Br)=C(OC)C=C2)=O)O1)=O,0.0
68657,CO-ADD:0160592,-3.55,O=C(N1C2=CC=CC=C2OC)C3=C(Br)C(Br)=C(Br)C(Br)=C3C1=O,0.0
68658,CO-ADD:0155314,-3.55,S=C(N(CC)CC)OC1=CC=CC(C(NC2=CC=C(OC)C=C2)=O)=C1,0.0
68659,CO-ADD:0155218,-3.55,OC1=CC=C(C(C)=C1)/N=C(O2)\C(C3=NC(C=CC=C4)=C4S3)=CC5=C2C=CC6=C5C=CC=C6,0.0
68660,CO-ADD:0155675,-3.55,[O-][N+](C1=CC=CC=C1OCC(N/N=C/C2=CC=C(C3=CC=CC([N+]([O-])=O)=C3)O2)=O)=O,0.0
68661,CO-ADD:0326761,-3.55,c1(C(=O)c2cccs2)cn(nc1C(=O)c3sc(c4n3)cccc4)c5ccccc5,0.0
68662,CO-ADD:0328133,-3.55,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2[N+](=O)[O-])N(CC3)CCN3C45CC6CC(CC(C6)C4)C5,0.0
68663,CO-ADD:0326485,-3.55,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc4ccc(cc4F)Br)n2,0.0
68664,CO-ADD:0326126,-3.55,N1(CC=C)C(=O)C(Cc(ccc(c2OC)OC)c2)C(NC1=O)=O,0.0
68665,CO-ADD:0327599,-3.55,S(=O)(=O)(c1ccc(cc1)C)Nc(ccc(c2Cl)C)c2,0.0
68666,CO-ADD:0326623,-3.55,N1(CCC(NCCc(ccc(c2OCC)OCC)c2)=O)C(=O)c(c3C1=O)cccc3,0.0
68667,CO-ADD:0326680,-3.55,C(C#N)(C(c1ccc(c2c1)OCO2)C3=C(N4c5ccc(cc5C)Br)CC(C)(C)CC3=O)=C4N,0.0
68668,CO-ADD:0328780,-3.55,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCc(ccc3c4cc([nH]3)C)c4,0.0
68669,CO-ADD:0330038,-3.55,C1(=Cc(cccc2OC)c2OC1=O)C(=O)NC(c3ccc(cc3)C)CC(OCC)=O,0.0
68670,CO-ADD:0329848,-3.55,n1(c2ccccc2)c(S)nnc1c3ccc(cc3)OC,0.0
68671,CO-ADD:0329465,-3.55,[n+]1(nc(c2[N+](=O)[O-])C)n2[n-]c(C)c1C(=O)N(CC3)CCN3C,0.0
68672,CO-ADD:0328277,-3.55,S(=O)(=O)(Nc(cc1)ccc1CC(O)=O)c2c(OC)ccc(OC)c2,0.0
68673,CO-ADD:0328293,-3.56,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)NC(c3ccc(cc3)C)CC(OCC)=O,0.0
68674,CO-ADD:0157311,-3.56,O=C(C(C=C1)=CC=C1OC)NC2=CC=CC=C2C(N/N=C/C3=CC=CC=C3OCC4=CC=CC=C4)=O,0.0
68675,CO-ADD:0329822,-3.56,c1(CN(c2ccc(cc2)Br)C(=O)Nc3ccccc3)nnc(CCCCC4)n14,0.0
68676,CO-ADD:0157925,-3.56,FC(C=C1)=CC=C1/C=N/NC2=NC(N3CCOCC3)=NC(NC4=CC=CC5=C4C=CC=C5)=N2,0.0
68677,CO-ADD:0157566,-3.56,NC1=C(C(OC)=O)SC2=NC(C3=CC=CC=C3)=CC=C12,0.0
68678,CO-ADD:0329838,-3.56,c1(nc2c3C(=O)N(C(=O)N2C)C)n3c(c(c4ccccc4)n1c(cccc5C(F)(F)F)c5)CC,0.0
68679,CO-ADD:0331826,-3.56,c12c(C(N(C)C(=O)N1C)=O)n(c(Sc3nncn3C)n2)Cc4cccc(Cl)c4,0.0
68680,CO-ADD:0332370,-3.56,N(C(NC(=O)N(C)C)C(N1)NC(=O)N(C)C)C1=O,0.0
68681,CO-ADD:0331621,-3.56,S(=O)(=O)(c1ccc(cc1)OCCC)NCC(C2)(CC(CC23)CC4C3)C4,0.0
68682,CO-ADD:0331270,-3.56,c1(N2CCCCC2)nc(OCC)nc(NN)n1,0.0
68683,CO-ADD:0331278,-3.56,C1(C#N)=C(COC)C=C(N(CC(=O)Nc(cc2)ccc2C(C)=O)C1=O)C,0.0
68684,CO-ADD:0163066,-3.56,S(c1ccccc1)(=O)(=O)N(c2c(OC)ccc(OC)c2)CC(=O)N(C)C,0.0
68685,CO-ADD:0163251,-3.56,C(C#N)(C1c(cccn2)c2)=C(N)Oc(ccc(cccc3)c34)c14,0.0
68686,CO-ADD:0155006,-3.56,[O-][N+](C(C=C1)=CC=C1C(C2=C(N)C(C(COC)=C3)=C(N=C3C)S2)=O)=O,0.0
68687,CO-ADD:0155046,-3.56,[O-][N+](C1=C(NN=C(C(C)=O)C(C)=O)C([N+]([O-])=O)=NN1)=O,0.0
68688,CO-ADD:0157686,-3.56,O=C(C1=CC=C2C=CC=CC2=C1)N3CCN(C)CC3,0.0
68689,CO-ADD:0332041,-3.56,N1(CCCCC1)CC(CCCCCCCCC(OCCC)=O)O.Cl,0.0
68690,CO-ADD:0332330,-3.56,C(c1ccccc1)(CC2)(CCN2CC(=O)Nc(cc3)ccc3OC(F)(F)F)C(OCC)=O.Cl,0.0
68691,CO-ADD:0155683,-3.56,O=C(N/N=C/C1=CC=C(C=C1)OC(C2=CC=C(Br)C=C2)=O)C3=NNC(C4=CC=CC=C4)(C5=CC=CC=C5)C3,0.0
68692,CO-ADD:0155347,-3.56,O=C(C(C=C1)=CC=C1NC(C2=CC=C(C)C=C2)=O)NC(C(C)=C3)=CC=C3Cl,0.0
68693,CO-ADD:0331341,-3.56,C(c1ccc(cc1)F)(C(F)(F)F)(NC(N2c3ccc(cc3)C)=O)C2=O,0.0
68694,CO-ADD:0325924,-3.56,c1(C(OCC)=O)c(c2)c(n(C)c1C)cc3c2OC(C3(O)C(F)(F)F)=O,0.0
68695,CO-ADD:0327407,-3.56,C(=C/c(c(cccc1)c1n2Cc(cc3)ccc3F)c2)(/C(=O)NN4c5cccc(Cl)c5)\C4=O,0.0
68696,CO-ADD:0327176,-3.56,c1(CN(c2ccc(cc2)OC)C(=O)Nc(ccc(c3Cl)Cl)c3)nnc(CCCCC4)n14,0.0
68697,CO-ADD:0330079,-3.56,c(N(CC1)CCO1)(nc2)nc(c23)CC(CC3=O)c4ccc(cc4)F,0.0
68698,CO-ADD:0326493,-3.57,c(S[C@@H](CC1=O)[C@@H](C2)O[C@H]1O2)(nc(cc3c4ccccc4OC)C(F)(F)F)n3,0.0
68699,CO-ADD:0329471,-3.57,C(C(OC)=O)(CC1=CCC(C2(C)C)CC12)(NS(C)(=O)=O)C(F)(F)F,0.0
68700,CO-ADD:0329487,-3.57,S(=O)(=O)(c1ccc(c(OC)c1)Cl)N(CC2)CCN2c3ccccc3F,0.0
68701,CO-ADD:0329687,-3.57,N1(CC)CN(Cc2ccccc2)CNC1=S,0.0
68702,CO-ADD:0327820,-3.57,c1([C@H]([C@](C)(C(C)(C)[C@@H]23)CC2)C3)cc(C(C)=C(Br)C(=O)O4)c4c(Br)c1O,0.0
68703,CO-ADD:0327884,-3.57,n(C(=O)c1ccc(cc1)Cl)(c2c(c3CC(=O)N(CC4)CCN4C(c5ccccc5)=O)cc(OC)cc2)c3C,0.0
68704,CO-ADD:0327676,-3.57,c(c1)(C2=O)c(c3n1nc(cc3C)C)N(C(=O)N2C)C,0.0
68705,CO-ADD:0329634,-3.57,C(=N\OCc1ccccc1C#N)(/C(C)=N2)\C(C)=Nc(c23)cccc3,0.0
68706,CO-ADD:0329994,-3.57,[nH]1c(cccc2)c2c(CCNC(=O)NC(=O)c(cc3)ccc3C(F)(F)F)c1C,0.0
68707,CO-ADD:0326232,-3.57,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c3ccccc3)\NC(=O)c4cccc(Br)c4)c1C,0.0
68708,CO-ADD:0328769,-3.57,N1(C(=O)C(C2C1=O)C(CC23)C=C3)c4sc(c5c4C#N)CCC5,0.0
68709,CO-ADD:0157498,-3.57,O=C(NC1=CC=C(CC2=CC=NC=C2)C=C1)NC3=CC(OC(C=CC=C4)=C4O5)=C5C=C3,0.0
68710,CO-ADD:0326510,-3.57,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(c(OC)c4)OC,0.0
68711,CO-ADD:0327303,-3.57,C1(C2=O)C(C(NC1(C(O)=O)Cc(c3c([nH]4)cccc3)c4)c5cccc(OC)c5O)C(N2c6cccc(C)c6)=O,0.0
68712,CO-ADD:0157841,-3.57,C/C(C1=CC=CC=C1)=N\NC2=NC(NC3=CC=CC=C3)=NC(N4CCCC4)=N2,0.0
68713,CO-ADD:0329691,-3.57,N1(c2ccc(cc2)F)C(=O)C(CC1=O)NCCCN(CC3)CCN3CC,0.0
68714,CO-ADD:0331365,-3.57,n1(cnc2c3cnn2Cc4ccccc4)c3nnc1c(cc5)ccn5,0.0
68715,CO-ADD:0330821,-3.57,c1(C(OCC)=O)sc(c2c1n3cccc3)nc(c(Cl)c2C)C,0.0
68716,CO-ADD:0330814,-3.57,c1(sc2c(c(COC)cc(C)n2)c1N=P(c3ccccc3)(c4ccccc4)c5ccccc5)C(=O)N(c6ccccc6)c7ccccc7,0.0
68717,CO-ADD:0330854,-3.57,[n+]([O-])(c1c(n2C(=O)OCC(C)C)cccc1)n2,0.0
68718,CO-ADD:0332459,-3.57,C1(=NC(C)(C)Cc2c1cc(C)c(c2C)C)\C(=N/O)\C(OCC)=O,0.0
68719,CO-ADD:0331899,-3.57,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3ccc(c(Cl)c3OC)Cl,0.0
68720,CO-ADD:0332395,-3.57,C(C(F)(F)F)(C(F)(F)F)(NC(c1ccccc1)=O)\N=C(/N)\c2ccccc2,0.0
68721,CO-ADD:0332277,-3.57,n12c(NC(c3ccccc3)CC1C(F)(F)F)cc(C(=O)NCC(C4)(CC5CC4CC6C5)C6)n2,0.0
68722,CO-ADD:0332325,-3.57,c1(NC2c3ccc(cc3)OC)n(c4c(cccc4)n1)C(=C2C(=O)Nc5ccc(cc5OC)OC)C,0.0
68723,CO-ADD:0229293,-3.57,C1=C(CCC(CCCCC)C1=O)c2ccc(cc2)OCC,0.0
68724,CO-ADD:0229919,-3.57,C(=O)(c1ccc(cc1)I)OCC(=O)c2ccc(cc2)Br,0.0
68725,CO-ADD:0229551,-3.57,N1(c2ccccc2Oc(ccc(c3C4=O)C(O4)=O)c3)C(=O)c(c(c5C(c6ccccc6)=O)C1=O)cc(c5C(N7c8ccccc8Oc(ccc(c9C%10=O)C(O%10)=O)c9)=O)C7=O,0.0
68726,CO-ADD:0227995,-3.58,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(COc2ccc(cc2OC)Br)=O)c1,0.0
68727,CO-ADD:0227177,-3.58,c1(cc(Br)cc(OC)c1O)\C=N\c2cc(ccc2O)Cc(ccc(c3\N=C\c4cc(Br)cc(OC)c4O)O)c3,0.0
68728,CO-ADD:0234857,-3.58,C(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\c(cc3)ccc3C(=O)\C=C\c(cc4)ccc4F,0.0
68729,CO-ADD:0236226,-3.58,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC(=O)NC3CC3)c4ccccc4,0.0
68730,CO-ADD:0232970,-3.58,[N+](=O)([O-])c1ccc(cc1)Oc(cccc2C(=O)Nc3ccccc3C(O)=O)c2,0.0
68731,CO-ADD:0232853,-3.58,c12c(ccc(OC)c1OC)C(OC2=O)O,0.0
68732,CO-ADD:0232834,-3.58,N1(c2ccccc2)CC(CC1=O)C(=O)Nc3cccc(F)c3,0.0
68733,CO-ADD:0233280,-3.58,c1(cc(C)cc(C)c1NC(=O)c2ccccc2C(O)=O)[N+](=O)[O-],0.0
68734,CO-ADD:0236683,-3.58,S(=O)(=O)(c1ccc(cc1)C)NCc(nnc2NC(=O)c(cccc3NC(=O)C(F)(F)F)c3)s2,0.0
68735,CO-ADD:0233505,-3.58,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(C)c2)=O)N(CC(C)C)CC(C)C)c1,0.0
68736,CO-ADD:0227649,-3.58,C1(C2=O)C(C(C=C3)OC13CNC(COc4ccc(cc4Cl)Cl)=O)C(N2c(cc5)ccc5[N+](=O)[O-])=O,0.0
68737,CO-ADD:0227687,-3.58,c1(cc(Br)cc(Br)c1O)C(=O)Nc(cc(Cl)cc2C(=O)c3ccc(cc3)C)c2Cl,0.0
68738,CO-ADD:0233324,-3.58,N#CC(C)(CC#N)c1ccc(cc1)OCCCC,0.0
68739,CO-ADD:0234425,-3.58,N1(C2CCCCC2)C(N(O)C(=O)NC3CCCCC3)C(N(CCC(NN)=O)C1=O)(C)C,0.0
68740,CO-ADD:0233376,-3.58,C12(CC(CC3C1)CC(C3)C2)c4ccc(cc4)N,0.0
68741,CO-ADD:0233192,-3.58,n1(c2ccc(cc2)OC)nnnc1c3ccccc3,0.0
68742,CO-ADD:0234689,-3.58,c(cc(Br)cc1Cl)(\C=N\c(cc2)ccc2C(C)=O)c1O,0.0
68743,CO-ADD:0234416,-3.58,C1(OCC(COS(C)(=O)=O)O1)(Cn(c2)ncn2)c3ccc(cc3Cl)Cl,0.0
68744,CO-ADD:0229056,-3.58,N1(CCCC1=O)c2ccc(cc2)C,0.0
68745,CO-ADD:0236336,-3.58,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCc3ccco3)C2c4ccccc4OC,0.0
68746,CO-ADD:0233456,-3.58,c1(c(Br)cc(cc1\C=N\NC(COc2ccccc2C#N)=O)Br)OC(=O)c3cccc(F)c3,0.0
68747,CO-ADD:0236089,-3.58,N(/c1ccccc1)=C\c(ccc(c2O)OC)c2,0.0
68748,CO-ADD:0229125,-3.58,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c3cccc(CC=C)c3O)c2,0.0
68749,CO-ADD:0229316,-3.58,c1(coc(ccc(O)c2CN(C)C)c12)C(=O)c3cccs3,0.0
68750,CO-ADD:0231193,-3.58,c1(cc(ccc1C(O)=O)Oc2ccccc2NC(CCCCCCCCCCC)=O)C(O)=O,0.0
68751,CO-ADD:0231819,-3.58,c1(cc(Br)ccc1O)C(=O)N\N=C\c(ccc(c2OC(=O)c3ccc(cc3)Br)OC(=O)c4ccc(cc4)Br)c2,0.0
68752,CO-ADD:0229314,-3.58,C(=O)(CN(CC1)CCN1C)Nc2cccc(Cl)c2,0.0
68753,CO-ADD:0234688,-3.58,c(cc(Br)cc1Cl)(\C=N\c(cc2)ccc2Cc(cc3)ccc3\N=C\c(cc(Br)cc4Cl)c4O)c1O,0.0
68754,CO-ADD:0231373,-3.59,c1(oc(c2n1)ccc(c2)\N=C\c3cc(C)ccc3O)c4ccc(cc4Cl)Cl,0.0
68755,CO-ADD:0236554,-3.59,C1(C#N)(C#N)[C@H](c2cccs2)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C(C)(C)C,0.0
68756,CO-ADD:0236180,-3.59,N1(C(c(cccc2[N+](=O)[O-])c2)CC(c3cc(C)ccc3C)=N1)c4scc(c(cc5)ccc5S(=O)(=O)N6CCCCC6)n4.Br,0.0
68757,CO-ADD:0230901,-3.59,[N+](=O)([O-])c1c(NCCN(C)C)ccc(Cl)c1.Cl,0.0
68758,CO-ADD:0229064,-3.59,C(=O)(N\N=C\c1ccc(cc1O)O)c2ccc(cc2)NC(CCC)=O,0.0
68759,CO-ADD:0235985,-3.59,C1(N(c2ccccc2)CCN1c3ccccc3)c4ccc(Br)s4,0.0
68760,CO-ADD:0234310,-3.59,c1(Br)c(O)c(\C=N\NC(=O)c(ccc(c23)OCCO2)c3)cc(Br)c1O,0.0
68761,CO-ADD:0236483,-3.59,n(c1C)(nnc1C(=O)N\N=C(/C)\c2ccc(cc2)F)c3nonc3N,0.0
68762,CO-ADD:0233467,-3.59,c1(N(CC2)CCO2)nc(N\N=C/c(cc(Br)cc3Br)c3OC)nc(Nc4ccccc4)n1,0.0
68763,CO-ADD:0236891,-3.59,S(=O)(=O)(c(cccc1[N+](=O)[O-])c1)Nc2ccc(cn2)Br,0.0
68764,CO-ADD:0233311,-3.59,C(C(OCC)=O)(C1c2ccccc2)=C(CC)NC(CC(C)(C)CC3=O)=C13,0.0
68765,CO-ADD:0229920,-3.59,C(=C/c(cc1)ccc1N(CC)CC)(/C(=O)NC(N2)=S)\C2=O,0.0
68766,CO-ADD:0229389,-3.59,N(=C\c1ccccc1O)/NC(CCCNc2ccccc2)=O,0.0
68767,CO-ADD:0231512,-3.59,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3Br)c4ccc(cc4Cl)F,0.0
68768,CO-ADD:0232979,-3.59,N(c(ccc(c1)Cc(ccc2c3C(=O)OC(c4ccc(cc4)NC(=O)C(C)(C)C)=N2)c3)c15)=C(c6ccc(cc6)NC(=O)C(C)(C)C)OC5=O,0.0
68769,CO-ADD:0231731,-3.59,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c4cc(Br)cc(OC)c4O,0.0
68770,CO-ADD:0231846,-3.59,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(cc(OCO4)c4c5)c5Br,0.0
68771,CO-ADD:0231083,-3.59,c1(\C=N\NC(CCC(=O)Nc2cccc(Br)c2)=O)cc(Br)ccc1O,0.0
68772,CO-ADD:0234957,-3.59,c1(cc(cc(OC)c1OCC(=O)N\N=C\c2ccccc2)[N+](=O)[O-])[N+](=O)[O-],0.0
68773,CO-ADD:0234087,-3.59,c(C(NN)=O)(cc(cccc1)c1n2)c2C,0.0
68774,CO-ADD:0233312,-3.59,C(C(OCC)=O)(=C(CC)NC(=C12)CC(CC1=O)(C)C)C2c3ccccc3F,0.0
68775,CO-ADD:0234968,-3.6,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(COc2c(C)cc(cc2C)Br)=O,0.0
68776,CO-ADD:0236046,-3.6,c1(SCC(=O)NC(CC(C)C)C(OC)=O)oc(c2n1)cccc2,0.0
68777,CO-ADD:0229097,-3.6,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(=O)c(cc2)ccc2NC(c3ccccc3)=O,0.0
68778,CO-ADD:0229266,-3.6,c1(c(Cl)ccc(c1)c2ccc(\C=N\NC(=O)Nc3ccccc3)o2)C(O)=O,0.0
68779,CO-ADD:0227481,-3.6,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(=O)\C(=C\c(ccc(c34)OCO3)c4)\NC(c5ccccc5)=O,0.0
68780,CO-ADD:0229881,-3.6,c1(Nc(cc2)ccc2NC(C)=O)[nH]nc(C)c1[N+](=O)[O-],0.0
68781,CO-ADD:0229271,-3.6,[N+](=O)([O-])c1ccc(cc1NCCNC(=O)c2cc(F)c(cc2Cl)F)Cl,0.0
68782,CO-ADD:0229507,-3.6,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc3c(O)ccc(Cl)c3,0.0
68783,CO-ADD:0229123,-3.6,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c(cc3)ccc3O)c2,0.0
68784,CO-ADD:0230991,-3.6,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3c4ncccn4)C1=O,0.0
68785,CO-ADD:0237168,-3.6,CC[C@@H]([C@H](C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(C5)c7ccc(F)cc7F)cc4,0.0
68786,CO-ADD:0237251,-3.6,CC1(COc2ccc(cc2)N3CCC(CC3)Oc4ccc(OC(F)(F)F)cc4)Cn5cc(nc5O1)N(=O)=O,0.0
68787,CO-ADD:0237252,-3.6,COc1ccc2nc(C)cc(OCC(=O)NCc3ccccc3)c2c1,0.0
68788,CO-ADD:0236560,-3.6,C(C#N)(=C(N)SC(=C1C#N)N)C1c2ccc(cc2F)F,0.0
68789,CO-ADD:0229925,-3.6,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2OCc3ccccc3,0.0
68790,CO-ADD:0232854,-3.6,N1(c2ccc(cc2)C)C(=O)c(c3C1=O)ccc(OC)c3OC,0.0
68791,CO-ADD:0233268,-3.6,c1(ccccc1Br)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Br,0.0
68792,CO-ADD:0236556,-3.6,C1(C#N)(C#N)[C@@H](c2cccs2)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(C)=O,0.0
68793,CO-ADD:0236228,-3.6,c(C(=O)NC(C)(C)C)(sc(c12)nc(cc1c3ccc(cc3)F)c4ccccc4)c2N,0.0
68794,CO-ADD:0233313,-3.6,S(=O)(=O)(c(cccc1C(=O)Nc2ccccc2C)c1)Nc(cccc3C(O)=O)c3,0.0
68795,CO-ADD:0234222,-3.6,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(ccc(c3Br)O)c3,0.0
68796,CO-ADD:0234412,-3.6,N(CC(=O)C(C)(C)C)(c(cccc1)c1C23OCCO2)C3=O,0.0
68797,CO-ADD:0233400,-3.6,[N+](=O)([O-])c(cc1)cc(c1NC(=O)c2ccc(cc2Cl)Cl)C,0.0
68798,CO-ADD:0233380,-3.61,N1(CNc(cccc2C(O)=O)c2)C(=O)c3c(cccc3)C1=O,0.0
68799,CO-ADD:0229082,-3.61,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\c3ccc(cc3OC)OC,0.0
68800,CO-ADD:0229304,-3.61,S(=O)(=O)(N(CCC#N)CCN(CC)CC)c1cccc(nsn2)c12,0.0
68801,CO-ADD:0237342,-3.61,CCc1nc2ccc(cn2c1N(C)Cc3cccs3)C(=O)NCc4ccc5OCOc5c4,0.0
68802,CO-ADD:0237262,-3.61,CCc1ccc(cc1)[C@@H]2C[C@@H](n3ncc(C(=O)NCc4ccc(OC)cc4)c3N2)C(F)(F)F,0.0
68803,CO-ADD:0237348,-3.61,Clc1cccc(c1)c2cnn3ccc(nc23)C(=O)Nc4ccc(cc4)N5CCNCC5.OC(C(F)(F)F)=O,0.0
68804,CO-ADD:0233036,-3.61,N(CC(=O)N\N=C\c1cc(ccc1N2CCCCC2CC)[N+](=O)[O-])(c(cccc3)c34)c(cccc5)c5C4=O,0.0
68805,CO-ADD:0236575,-3.61,C1(C#N)(C#N)[C@H](c2ccc(cc2)Br)[C@H](N3[C@]1([H])C=Cc(c34)cc(cc4)C)C(c5ccccc5)=O,0.0
68806,CO-ADD:0232977,-3.61,c1(cc(C)ccc1NC(=O)c2ccc(cc2)Oc(cc3)ccc3[N+](=O)[O-])C(O)=O,0.0
68807,CO-ADD:0233253,-3.61,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(=O)c2ccc(cc2)Cl,0.0
68808,CO-ADD:0234791,-3.61,C1(N2CCCC2)=C(C(C)=O)C(=S)NC(c3ccccc3)=N1,0.0
68809,CO-ADD:0236276,-3.61,C1(NC(=O)c(cc2)cc(c2[N+](=O)[O-])C)=C(C)N(N(c3ccccc3)C1=O)C,0.0
68810,CO-ADD:0236139,-3.61,C(C#N)(C1c(cccc2[N+](=O)[O-])c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
68811,CO-ADD:0234786,-3.61,C(/C(=O)C1)(\C(=O)CC1(C)C)=C(\N)/NC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
68812,CO-ADD:0236293,-3.61,S(=O)(=O)(c1ccc(cc1)C)N(CC(=O)N\N=C\c(cc2)ccc2OCC(=O)OC(C)(C)C)c3ccc(cc3Cl)Cl,0.0
68813,CO-ADD:0233124,-3.61,N(/c(cc1)ccc1N(CC)CC)=C\c2ccccc2O,0.0
68814,CO-ADD:0236297,-3.61,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C(/C)\c2cccs2)c3c(OC)ccc(Cl)c3,0.0
68815,CO-ADD:0236267,-3.61,N(CC(C)CC1(O)c2ccccc2)(C(C)(C)C)C1,0.0
68816,CO-ADD:0233144,-3.61,c12c(n(c(SCCC(O)=O)n1)CC)C(NC(=O)N2C)=O,0.0
68817,CO-ADD:0229546,-3.62,N1(c(cc(cc2C(=O)Nc3ccccc3Oc(ccc(c4C5=O)C(O5)=O)c4)C(=O)Nc6ccccc6Oc(ccc(c7C8=O)C(O8)=O)c7)c2)C(=O)c(c9C1=O)cccc9,0.0
68818,CO-ADD:0229163,-3.62,c1(SCC(=O)Nc2ncccn2)nc(C)cc(C)n1,0.0
68819,CO-ADD:0231840,-3.62,C(=N/NC(COc1c(OC)cc(cc1Br)Br)=O)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
68820,CO-ADD:0227933,-3.62,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c(cc(Br)cc4[N+](=O)[O-])c4O,0.0
68821,CO-ADD:0234524,-3.62,c1(\C=N\NC(Cc2ccccc2)=O)c(O)ccc(cccc3)c13,0.0
68822,CO-ADD:0234522,-3.62,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c(cc3)ccc3[N+](=O)[O-])Br)[N+](=O)[O-])[N+](=O)[O-],0.0
68823,CO-ADD:0231510,-3.62,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c3ccccc3I,0.0
68824,CO-ADD:0236616,-3.62,C1(C#N)(C#N)[C@H](c2ccccc2)[C@H](N3[C@]1([H])C=Cc(c34)cc(cc4)Cl)C(=O)c(ccs5)c5,0.0
68825,CO-ADD:0231122,-3.62,C(=O)(Nc1ccccc1)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O,0.0
68826,CO-ADD:0234597,-3.62,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)Cc2cccc(cccc3)c23)c4ccccc4Cl,0.0
68827,CO-ADD:0234714,-3.62,c1(c(Br)cc(cc1\C=N\NC(=O)Cc2cccc(cccc3)c23)Br)OC(=O)c4cccc(F)c4,0.0
68828,CO-ADD:0233647,-3.62,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(COc3c(C)cccc3C)=O)o2)c1,0.0
68829,CO-ADD:0231663,-3.62,c1(OCC(=O)N\N=C\C=C\c2ccc(C)o2)c(OC)cc(cc1Br)Br,0.0
68830,CO-ADD:0234626,-3.62,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3ccco3)=O,0.0
68831,CO-ADD:0231622,-3.62,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c(cc2)ccc2Cc(cc3)ccc3\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
68832,CO-ADD:0229091,-3.62,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c(cc2)ccc2NC(=O)c3ccc(cc3)Br,0.0
68833,CO-ADD:0229361,-3.62,c(C(O)=O)(c1c2cccc1)c3c(n2)CCCCC3,0.0
68834,CO-ADD:0229447,-3.62,c1(ccc(cc1O)O)C(=O)N\N=C\c2c(cccc2Cl)Cl,0.0
68835,CO-ADD:0237346,-3.62,CC(Oc1ccccc1)C(=O)Nc2nc(cs2)c3ccccn3,0.0
68836,CO-ADD:0237260,-3.62,CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12,0.0
68837,CO-ADD:0233269,-3.62,C(=O)(c1cccc(O)c1)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Br,0.0
68838,CO-ADD:0231650,-3.62,n1c2c(oc1c3cccc(c3)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4)ccc(Cl)c2,0.0
68839,CO-ADD:0236700,-3.62,S(=O)(=O)(c1ccc(c2c1)OCCO2)N(CCc3ccccc3)CC(=O)N\N=C\c4ccccc4O,0.0
68840,CO-ADD:0227288,-3.62,c1(\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)c4c(cccc4)cc(cccc5)c15,0.0
68841,CO-ADD:0233427,-3.62,n1c(ccc(c2)C)c2oc1c3ccc(cc3)\N=C\c(cc(Br)cc4Cl)c4O,0.0
68842,CO-ADD:0236657,-3.62,S1(=O)(=O)c2c(C(Nc3c(Cl)ccc(Cl)c3)=N1)ccc(c2)[N+](=O)[O-],0.0
68843,CO-ADD:0236635,-3.62,c1(C#N)c(SCC(c2ccccc2)=O)nsc1SCC(c3ccccc3)=O,0.0
68844,CO-ADD:0236578,-3.62,c(C(=O)c1ccc(c(OC)c1)OC)(sc(c23)nc(cc2C(F)(F)F)C)c3N,0.0
68845,CO-ADD:0233487,-3.62,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccccc2Br)=O)N(CC(C)C)CC(C)C)c1,0.0
68846,CO-ADD:0233397,-3.62,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)N(CC)CC)c1C,0.0
68847,CO-ADD:0237010,-3.62,OCC(C)(C)[C@@H](O)C(NCC(C)C(NCCCCCCC)=O)=O,0.0
68848,CO-ADD:0229021,-3.62,C(c1ccccc1)(=O)Nc(cc2)ccc2OC(c3ccccc3)=O,0.0
68849,CO-ADD:0233521,-3.62,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(=O)c(c3)cc(cn3)Br,0.0
68850,CO-ADD:0233481,-3.62,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(cc2)cc(c2OC(c3ccccc3)=O)OC,0.0
68851,CO-ADD:0234704,-3.62,c1(OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(F)c3)c(Br)cc(cc1Br)Br,0.0
68852,CO-ADD:0236269,-3.63,C1(CC=CCC1C(O)=O)C(NCC=C)=O,0.0
68853,CO-ADD:0233571,-3.63,c1(oc(c2n1)ccc(c2)\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])OC)c4cc(Cl)ccc4Cl,0.0
68854,CO-ADD:0228992,-3.63,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2cccc(C)n2,0.0
68855,CO-ADD:0227645,-3.63,C(N(C)C)(=S)Oc(cc1)ccc1C(=O)Nc2cccc(C)c2C,0.0
68856,CO-ADD:0229748,-3.63,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c3c(cc(cc3)Oc(cc4)ccc4C(O)=O)C1=O,0.0
68857,CO-ADD:0231652,-3.63,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(ccc(c2OC)O)c2)nc3Nc4ccccc4)n3,0.0
68858,CO-ADD:0229379,-3.63,[C@@]1(C#N)(C#N)[C@]([H])(c2ccccc2)[C@@](N3[C@]1([H])C=Cc4c3ccc(cccc5)c45)([H])C(c6ccccc6)=O,0.0
68859,CO-ADD:0231837,-3.63,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)O,0.0
68860,CO-ADD:0227507,-3.63,C(=O)(Oc(cc1)ccc1\C=N/NC(COc2cc(C)ccc2C(C)C)=O)c3ccccc3Cl,0.0
68861,CO-ADD:0232939,-3.63,N1C(c2ccc(c(OC)c2)OC)Oc(c3C1=O)cccc3,0.0
68862,CO-ADD:0236158,-3.63,c1(c(Cl)cc(c(F)c1)F)NC(NCCOc(cc2)ccc2OC)=O,0.0
68863,CO-ADD:0236553,-3.63,C1(C#N)(C#N)[C@H](c2ccc(cc2)F)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C(C)(C)C,0.0
68864,CO-ADD:0236748,-3.63,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccccc2C)c3c(OC)ccc(OC)c3,0.0
68865,CO-ADD:0232881,-3.63,[N+](=O)([O-])c(cc1)ccc1C(=O)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3Cl,0.0
68866,CO-ADD:0231782,-3.63,c1(oc(c2n1)ccc(c2)\N=C\c3ccc(cc3Cl)Cl)c4cccc(Cl)c4Cl,0.0
68867,CO-ADD:0234900,-3.63,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C\c(cc4)ccc4OC(=O)c5ccc(cc5)Br,0.0
68868,CO-ADD:0229044,-3.63,N(CC1)(CCN1C(CCl)=O)C(CCl)=O,0.0
68869,CO-ADD:0233720,-3.63,c1([nH]nc(C(CC2)CCN2C(=O)CCN)c1)C(F)(F)F.Cl,0.0
68870,CO-ADD:0235993,-3.64,N1(C(=O)CCC1C(=O)Nc2ccccc2C)C(=O)OCc3ccccc3,0.0
68871,CO-ADD:0236341,-3.64,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3ccccc3)C2c4cccs4,0.0
68872,CO-ADD:0236367,-3.64,S(=O)(=O)(c1ccc(cc1)F)Nc2ccccc2F,0.0
68873,CO-ADD:0236256,-3.64,S(=O)(=O)(c1ccc(cc1)Cl)N2CCSC2c3ccc(c(Br)c3)OC,0.0
68874,CO-ADD:0236378,-3.64,C(CC(C)C)(=O)Nc1ccc(cn1)Br,0.0
68875,CO-ADD:0234190,-3.64,n1c2c(oc1c3ccc(cc3)\N=C\c(cc4)ccc4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])cccc2C,0.0
68876,CO-ADD:0233719,-3.64,n1nc(oc1C(CC2)CCN2C(=O)CN(C)Cc(cccn3)c3)C,0.0
68877,CO-ADD:0233689,-3.64,c1([nH]nc(C(CC2)CCN2C(=O)[C@H](CCC(N)=O)NC(C)=O)c1)C(F)(F)F,0.0
68878,CO-ADD:0233782,-3.64,[nH]1cc(n2nncc2)nc1,0.0
68879,CO-ADD:0236059,-3.64,[N+](=O)([O-])c1ccc(cc1)N\N=C\c2sccc2C,0.0
68880,CO-ADD:0236779,-3.64,c(C#N)(c1c2ccccc2)c(\N=C\c3c(cccc3Cl)F)oc1c4ccccc4,0.0
68881,CO-ADD:0233246,-3.64,[N+](=O)([O-])c(cccc1C(=O)N\N=C(/C)\CC(NCC=C)=O)c1,0.0
68882,CO-ADD:0231556,-3.64,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cc3)ccc3OC(=O)c4cccc(F)c4,0.0
68883,CO-ADD:0230922,-3.64,n1(c2c(nn1)cccc2)[C@H]3C(=O)C=C(C[C@@H]3c4cccs4)c5ccccc5,0.0
68884,CO-ADD:0231621,-3.64,c1(Nc2ccccc2)nc(N\N=C\c(c3)c(O)c(cc3[N+](=O)[O-])Br)nc(NCc4ccccc4)n1,0.0
68885,CO-ADD:0234805,-3.64,C(c1ccccc1)(=O)NC(CCSC)C(=O)OCC(=O)Nc(cc2)ccc2Br,0.0
68886,CO-ADD:0233130,-3.64,c1(C(NCCN)=O)nonc1N,0.0
68887,CO-ADD:0234623,-3.64,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)c3ccccc3Cl,0.0
68888,CO-ADD:0234802,-3.64,N1C(SCC(=O)Nc2ccccc2[N+](=O)[O-])=NN=C(C)C1=O,0.0
68889,CO-ADD:0236479,-3.64,n(c1C)(nnc1C(=O)N\N=C\c(cc2)ccn2)c3nonc3N,0.0
68890,CO-ADD:0234456,-3.64,C(=O)(Nc1cccc(Br)c1)CCN(CC2)CCN2C,0.0
68891,CO-ADD:0227712,-3.64,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
68892,CO-ADD:0231364,-3.64,C(=O)(C(=O)NCc1ccccc1)Nc2ccc(cc2C)Cl,0.0
68893,CO-ADD:0233772,-3.64,N1(CCC[C@@H](C1)c(ccn2)o2)C([C@H](CCC)N)=O.Cl,0.0
68894,CO-ADD:0236034,-3.65,N#Cc(cc1)ccc1NC(CSc2ccccn2)=O,0.0
68895,CO-ADD:0227596,-3.65,c1(ccccc1Br)C(=O)NCC(=O)N\N=C/c2ccc(cc2O)C,0.0
68896,CO-ADD:0231333,-3.65,C(=O)(c1ccc(cc1)OC)NNC(=O)c2ccc(cc2)NC(CC)=O,0.0
68897,CO-ADD:0233238,-3.65,C(c1ccccc1)(=O)CC(c2ccccc2)CC(c3ccccc3)=O,0.0
68898,CO-ADD:0230974,-3.65,c1(nnc(SCC)s1)NC(=O)c(cccc2[N+](=O)[O-])c2,0.0
68899,CO-ADD:0231060,-3.65,C(C(c1ccc(cc1)Br)Nc(cc2)ccc2CCCC)C(=O)c3ccc(cc3)OC,0.0
68900,CO-ADD:0234163,-3.65,n1c2c(oc1c3ccc(cc3)\N=C\c4cccc(I)c4)cccc2C,0.0
68901,CO-ADD:0236161,-3.65,C1(NC(=O)C2C(C2C)CCCC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
68902,CO-ADD:0234477,-3.65,c(N1CCCCC1C)(n2)nc(nc2N3CCCCC3C)N4CCCCC4C,0.0
68903,CO-ADD:0230968,-3.65,c1(c(ccc(c23)OCO2)c3)onc(C)c1I,0.0
68904,CO-ADD:0237036,-3.65,OCC(C)(C)[C@@H](O)C(NCC#C)=O,0.0
68905,CO-ADD:0234335,-3.65,[n+]12c(c(c[nH]1)CCC3=O)C3=C(N[B-]2(c4ccccc4)c5ccccc5)NC(c6ccccc6)=O,0.0
68906,CO-ADD:0233384,-3.65,[N+](=O)([O-])c1ccc(cc1)\C=N\c2sccn2,0.0
68907,CO-ADD:0233648,-3.65,c(\C=N\NC(COc1c(C)cccc1C)=O)(c(C)c(Br)c(c2C)O)c2O,0.0
68908,CO-ADD:0233667,-3.65,O1CC1COC(=O)Nc2cccc(Cl)c2Cl,0.0
68909,CO-ADD:0234729,-3.65,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c3ccccc3Cl,0.0
68910,CO-ADD:0228980,-3.65,C(F)(F)(F)C(=O)NC(c1ccccc1)CC(=O)NCc2ccccc2,0.0
68911,CO-ADD:0233765,-3.65,N1(CCC[C@@H](C1)c(ccn2)o2)C(=O)[C@@H](N)Cc(cc3)ccc3O.Cl,0.0
68912,CO-ADD:0234088,-3.65,C(C)(CCNC(NCCC(C)([N+](=O)[O-])[N+](=O)[O-])=O)([N+](=O)[O-])[N+](=O)[O-],0.0
68913,CO-ADD:0231589,-3.65,N1(c(cc2)ccc2C(OC)=O)C(=O)C3C(C4C(C5)C5C3C=C4)C1=O,0.0
68914,CO-ADD:0227882,-3.65,C12c3c(cccc3)C(CC1C(=O)Nc(cc4)ccc4Br)c(cccc5)c25,0.0
68915,CO-ADD:0227308,-3.65,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
68916,CO-ADD:0231707,-3.65,c1(C(=O)N\N=C\c(c2c([nH]3)cccc2)c3)nn(c(c4ccccc4)n1)c5ccccc5,0.0
68917,CO-ADD:0227452,-3.65,C(CNc1cccc(cccc2)c12)(=O)N\N=C\C(\C)=C/c(cc3)ccc3C(C)C,0.0
68918,CO-ADD:0231761,-3.65,c1(oc(c2n1)ccc(c2)\N=C\c3cccc(OC)c3O)c4cccc(Cl)c4Cl,0.0
68919,CO-ADD:0229419,-3.65,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])N(c2cccc(C)c2)CC(OCC)=O,0.0
68920,CO-ADD:0237203,-3.65,CC(=O)NCC1CN(C(=O)O1)c2ccc(c(F)c2)c3ccc(CNCc4cn[nH]n4)cc3.Cl,0.0
68921,CO-ADD:0233084,-3.66,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)CC)SC(=NN2c6ccc(cc6)Cl)C(C)=O,0.0
68922,CO-ADD:0230983,-3.66,N1(C(Cc(cc2)ccc2[N+](=O)[O-])C(=O)NC(C)c3ccc(cc3)CCBr)C(=O)c4c(cccc4)C1=O,0.0
68923,CO-ADD:0227267,-3.66,C(F)(F)(C(F)(F)F)C(F)(F)C(=O)NC(CC(C)C)C(=O)[O-].[Na+],0.0
68924,CO-ADD:0236774,-3.66,N1(CC(=O)Nc2scc(c3ccc(cc3)Br)n2)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
68925,CO-ADD:0231765,-3.66,c1(oc(c2n1)ccc(c2)\N=C\c(cccc3[N+](=O)[O-])c3O)c4cccc(Cl)c4Cl,0.0
68926,CO-ADD:0227240,-3.66,c1(NCC(=O)N\N=C(/C)\c2ccc(cc2OC)OC)c(Br)cc(cc1Br)Br,0.0
68927,CO-ADD:0231042,-3.66,S(=O)(=O)(c1ccc(cc1)C)NC(C(C)C)C(NC)=O,0.0
68928,CO-ADD:0233242,-3.66,N1(CCCCC1)CC(O)COc2ccccc2.Cl,0.0
68930,CO-ADD:0233181,-3.66,N(/c1ccccc1OC)=C\c2ccc(cc2O)O,0.0
68931,CO-ADD:0234457,-3.66,C12c3c(cccc3)C(CC1C(=O)Nc4cc(C)ccc4C)c(cccc5)c25,0.0
68932,CO-ADD:0236368,-3.66,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)NCc3ccccc3)o1,0.0
68933,CO-ADD:0234983,-3.66,c1(c(O)c(\C=N\NC(=O)Cc2cccc(cccc3)c23)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
68934,CO-ADD:0235988,-3.66,N12c(c(C3C(CCC3)C1)c4)c(C5C(CCC5)C2)cc4NC(=O)c6ccccc6C,0.0
68935,CO-ADD:0234444,-3.66,C(=O)(C(CC(C)C)NC(OCc1ccccc1)=O)Nc2cc(C)ccc2C,0.0
68936,CO-ADD:0234091,-3.66,c1(sc(c2n1)cccc2)Sc3ccc(\C=N\NC(=O)c4c(O)ccc(cccc5)c45)o3.I,0.0
68937,CO-ADD:0236529,-3.66,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCCCC(NC)=O)=O,0.0
68938,CO-ADD:0236876,-3.66,c1(sc(c(C)c1C(OCC)=O)C)NS(=O)(=O)c2ccc(cc2)F,0.0
68939,CO-ADD:0233365,-3.66,C(=O)(Nc1ccccc1)Nc(cc2)c(OC)cc2c(cc3)cc(c3NC(=O)Nc4ccccc4)OC,0.0
68940,CO-ADD:0227386,-3.66,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c2cc(Br)ccc2OC(c3ccccc3)=O,0.0
68941,CO-ADD:0231692,-3.66,c1(C(=O)N\N=C\c(cc2)ccc2Cl)nn(c(c3ccccc3)n1)c4ccccc4,0.0
68942,CO-ADD:0229442,-3.66,[N+](=O)([O-])c(ccc(c1\C=N\c2cccc(OC)c2)O)c1,0.0
68943,CO-ADD:0229412,-3.67,C(c(cc1)ccn1)(=O)N\N=C\c2ccco2,0.0
68944,CO-ADD:0231113,-3.67,N1(c2ccccc2[N+](=O)[O-])C(=O)C3C(C1=O)C4(C(=O)C3(c5ccccc5)C(=C4c6ccccc6)c7ccccc7)c8ccccc8,0.0
68945,CO-ADD:0234859,-3.67,C(=C\c(cc1)ccc1F)/C(=O)c2ccc(cc2)\N=C\c(cc3)ccc3F,0.0
68946,CO-ADD:0234835,-3.67,c1(ccc(cc1N(CC2)CCN2C)N3CCCC3)[N+](=O)[O-],0.0
68947,CO-ADD:0231774,-3.67,c1(oc(c2n1)ccc(c2)\N=C\c3c4c(cccc4)cc(cccc5)c35)c6cccc(Cl)c6Cl,0.0
68948,CO-ADD:0234220,-3.67,n1c2c(oc1c3ccc(cc3)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4)cccc2C,0.0
68949,CO-ADD:0231423,-3.67,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(=O)c(ccc(c34)OCCO3)c4)Br,0.0
68950,CO-ADD:0236824,-3.67,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
68951,CO-ADD:0231115,-3.67,c1(\C=N\NC(CCC(=O)Nc2cccc(Br)c2)=O)c3c(cccc3)cc(cccc4)c14,0.0
68952,CO-ADD:0227689,-3.67,c(\C=C(\C#N)/C#N)(c1Cl)sc(c1)Cl,0.0
68953,CO-ADD:0236087,-3.67,n1(c2c(nc1SCC(N)=O)cccc2)C(OCC)=O,0.0
68954,CO-ADD:0234499,-3.67,n1(CC)c2c(c(cc(cc3)\C=N\NC(=O)c4ccccc4I)c13)cccc2,0.0
68955,CO-ADD:0236849,-3.67,[N+](=O)([O-])c1cc(ccc1Sc2cccc3c2cccn3)\C=N\NC(=O)c4cccc(O)c4,0.0
68956,CO-ADD:0234697,-3.67,c1(OCC(=O)N\N=C\c(cccc2OC(=O)c3cccc(F)c3)c2)c(Br)cc(cc1Br)Br,0.0
68957,CO-ADD:0236148,-3.67,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
68958,CO-ADD:0231805,-3.67,c(\C=N\NC(COc1ccc(cc1Br)OC)=O)(cc(Cl)cc2Br)c2O,0.0
68959,CO-ADD:0229455,-3.67,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)c2ccc(cc2O)O,0.0
68960,CO-ADD:0227949,-3.67,N1(CNc2cccc(I)c2)C(=O)\C(\SC1=S)=C/c3ccccc3,0.0
68961,CO-ADD:0229135,-3.67,c1(cc(Br)cc(Br)c1O)C(=O)N\N=C\c2ccccc2OCc3ccccc3,0.0
68962,CO-ADD:0236162,-3.67,S(CCCCCCCCC)(=O)(=O)N\N=C\c(cc(cccc1)c1n2)c2Cl,0.0
68963,CO-ADD:0236793,-3.67,C1(=S)NC(C)(C)C=C(C)N1c2cccc(c2)OS(=O)(=O)c3ccc(cc3)C,0.0
68964,CO-ADD:0232892,-3.67,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)Nc(cc3)ccc3OCC,0.0
68965,CO-ADD:0230919,-3.67,n1(c2c(nn1)cccc2)[C@H]3C(=O)C=C(C[C@@H]3c(cccc4[N+](=O)[O-])c4)c5ccccc5,0.0
68966,CO-ADD:0233282,-3.67,c1(c(cccc1[N+](=O)[O-])C(O)=O)C(=O)Nc(cc2)ccc2C(C)=O,0.0
68967,CO-ADD:0234587,-3.67,N(\C(=C/c(cc1)ccc1OC(C)=O)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
68968,CO-ADD:0233405,-3.67,c1(\C=N\c(ccc(c23)oc(c4cccc(Cl)c4)n2)c3)c(O)c(OC)cc(Br)c1Br,0.0
68969,CO-ADD:0231078,-3.68,N(=C\c1ccccc1O)/NC(CCC(=O)Nc2cccc(Br)c2)=O,0.0
68970,CO-ADD:0236686,-3.68,c12c(nnc(SCC(=O)Nc3cccc(cccc4)c34)n1)c5c(cccc5)n2C,0.0
68971,CO-ADD:0236604,-3.68,c1(C#N)c(SCc2ccccc2Cl)nsc1SCc3ccccc3Cl,0.0
68972,CO-ADD:0233061,-3.68,c1(NC(CSc2sc(c3n2)cccc3)=O)sc(c4c1C(OCC)=O)CCC4,0.0
68973,CO-ADD:0231117,-3.68,N(c1ccccc1Br)C(CCC(=O)N\N=C\c(cc2)ccc2OCc3ccccc3)=O,0.0
68974,CO-ADD:0233224,-3.68,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(C(C3c4c5cccc4)C1=O)C5c6c3cccc6,0.0
68975,CO-ADD:0236064,-3.68,N1(\N=C\c(ccc(c2O)OC)c2)C(=O)c3c(cccc3)C1=O,0.0
68976,CO-ADD:0234356,-3.68,c(C#N)(c(N)oc1c2ccccc2)c1c3ccccc3,0.0
68977,CO-ADD:0234384,-3.68,C(=O)(Oc1c2cc(cc1C)OC(OC)=O)S2,0.0
68978,CO-ADD:0234204,-3.68,C(=O)(Oc1ccc(cc1\C=N\NC(c(cc2)ccn2)=O)Br)c3ccccc3Cl,0.0
68979,CO-ADD:0236069,-3.68,s1c(\C=N\c(cc2)ccc2NC(C)=O)ccc1Br,0.0
68980,CO-ADD:0234359,-3.68,c1(ccccc1NC(=O)\C=N\O)C(O)=O,0.0
68981,CO-ADD:0227792,-3.68,C(NCCCCNC(=O)Oc1cccc(C)c1)(=O)Oc2cccc(C)c2,0.0
68982,CO-ADD:0229129,-3.68,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c3cc(OC)ccc3O)c2,0.0
68983,CO-ADD:0229464,-3.68,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3Br,0.0
68984,CO-ADD:0229897,-3.68,n1(nnc(C(OCC)=O)c1CC(OCC)=O)c2nonc2N,0.0
68985,CO-ADD:0236248,-3.68,C1(C#N)(C#N)[C@H](c2ccccc2)[C@H](N3[C@]1([H])C=Cc(c3ccc4[N+](=O)[O-])c4)C(c5ccccc5)=O,0.0
68986,CO-ADD:0232955,-3.68,n1c(c2ccc(cc2)Cl)csc1N\N=C\c3ccc(cc3Cl)Cl,0.0
68987,CO-ADD:0231004,-3.68,c1(CC=C)cc(ccc1OCc(cc2)ccc2Br)\C=N\Cc3ccccc3,0.0
68988,CO-ADD:0232976,-3.68,N1(c2cccc(I)c2)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
68989,CO-ADD:0227704,-3.68,C1(c2ccc(cc2)\N=C\c(cc3)ccc3OC(=O)c4cccc(Br)c4)=Cc5c(OC1=O)cccc5,0.0
68990,CO-ADD:0236239,-3.68,c1(C#N)c(C)cc(nc1SCCN2CCCCC2)C,0.0
68991,CO-ADD:0232833,-3.68,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)Nc3cc(C)ccc3C,0.0
68992,CO-ADD:0236527,-3.68,N1(c2cccc(C(C)=O)c2)C(=O)c3c(cc(cc3)Oc4cccc(c4)Oc(ccc(c5C6=O)C(N6c7cccc(C(C)=O)c7)=O)c5)C1=O,0.0
68993,CO-ADD:0237023,-3.68,OCC(C)(C)[C@@H](O)C(NCCC(N(C)CCC1=CC=CC=C1)=O)=O,0.0
68994,CO-ADD:0229050,-3.68,c1(nn(cn1)CC(=O)N\N=C\c2ccc(cc2O)O)[N+](=O)[O-],0.0
68995,CO-ADD:0234949,-3.68,N1C(=O)\C(\SC1=O)=C/c2ccccc2Br,0.0
68996,CO-ADD:0229331,-3.68,C(=N/OC(=O)c1ccc(cc1)OC)(/c2c(N3C)cccc2)\C3=O,0.0
68997,CO-ADD:0234086,-3.68,C(=O)(Nc(cc1)ccc1C)CC(NN)=O,0.0
68998,CO-ADD:0233531,-3.68,c(c1)(cc(cn1)Br)C(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(Br)c3,0.0
68999,CO-ADD:0234662,-3.68,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(CNC(=O)c3ccco3)=O)Br,0.0
69000,CO-ADD:0233494,-3.68,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(COc3cc(C)ccc3C(C)C)=O)o1,0.0
69001,CO-ADD:0233438,-3.68,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(F)c3,0.0
69002,CO-ADD:0234430,-3.68,N(CC(c1ccccc1)=O)(c(cccc2)c2C34OCCO3)C4=O,0.0
69003,CO-ADD:0234914,-3.68,c1(OCC(=O)N\N=C\c(cc2)ccc2C)c(Br)cc(cc1Br)OC,0.0
69004,CO-ADD:0227631,-3.69,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c(cc2)ccc2C)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
69005,CO-ADD:0227956,-3.69,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(ccc(c2I)OC)c2)=C\c3cccs3,0.0
69006,CO-ADD:0227942,-3.69,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c(ccc(c4Cl)OC)c4,0.0
69007,CO-ADD:0231226,-3.69,C(=O)(N\N=C(/C)\CC(=O)NCc(cc1)ccc1Cl)C(=O)Nc(cc2)ccc2CC,0.0
69008,CO-ADD:0231787,-3.69,c1(oc(c2n1)ccc(c2)\N=C\c(cccc3Oc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c3)c5cccc(Cl)c5Cl,0.0
69009,CO-ADD:0229627,-3.69,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc5c(cc(C)cc6[N+](=O)[O-])c6C)o5,0.0
69010,CO-ADD:0232875,-3.69,n1c(c2ccccc2)ccc(C#N)c1SCC(=O)c3ccc(cc3C)C,0.0
69011,CO-ADD:0236218,-3.69,N12C(S\C(=C/c(cc3)ccc3Br)\C1=O)=C(C(c4ccc(cc4)Br)C(C(OCC)=O)=C2N)C#N,0.0
69012,CO-ADD:0233579,-3.69,c1(c(O)c(\C=N\c(cc2)ccc2Cl)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
69013,CO-ADD:0236113,-3.69,c1(c(O)ccc(cccc2)c12)CN(CC3)CCN3c4ccccc4,0.0
69014,CO-ADD:0233419,-3.69,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c3cccc(OC)c3,0.0
69015,CO-ADD:0234936,-3.69,c1(Br)c(O)c(\C=N\NC(COc2c(Br)cc(cc2Br)OC)=O)cc(Br)c1O,0.0
69016,CO-ADD:0234988,-3.69,c1(c(\C=N\NC(=O)c(c2)cc(cn2)Br)ccc(O)c1OC)[N+](=O)[O-],0.0
69017,CO-ADD:0234995,-3.69,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(ccc(c2C)C)c2)=O)c3ccccc3Br,0.0
69018,CO-ADD:0235976,-3.69,N(CC(=O)N\N=C\c(ccc(c1[N+](=O)[O-])Sc2sc(c3n2)cccc3)c1)(c(cccc4)c45)c(cccc6)c6C5=O,0.0
69019,CO-ADD:0234922,-3.69,c1(OCC(=O)N\N=C\c2cccc(cccc3)c23)c(Br)cc(cc1Br)OC,0.0
69020,CO-ADD:0233198,-3.69,C1(C(O)=O)C(c2ccccc2)CNC1=O.O,0.0
69021,CO-ADD:0234924,-3.69,c1(\C=N\NC(=O)c2ccccc2Br)c3c(cccc3)cc(Br)c1O,0.0
69022,CO-ADD:0227707,-3.69,c1(C#N)c(N)nc(c2c1c(ccc(c34)OCO3)c4)CCCCCC2,0.0
69023,CO-ADD:0229308,-3.69,S(=O)(=O)(c1ccc(cc1)C)Nc2ccc(cc2C(=O)Nc(ccc(c3Cl)Cl)c3)Cl,0.0
69024,CO-ADD:0229900,-3.69,c1(\C=N\C2CCCCC2)cc(sc1S)CN(C)C,0.0
69025,CO-ADD:0229444,-3.69,C(Cl)(Cl)(Cl)C(=O)Nc(cc1)ccc1Nc2ccccc2,0.0
69026,CO-ADD:0231228,-3.69,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc3ccccc3C,0.0
69027,CO-ADD:0227632,-3.69,c1(N2CCCCC2)nc(N\N=C\c(ccc3c(cccc4[N+](=O)[O-])c4)o3)nc(Nc(cc5)ccc5[N+](=O)[O-])n1,0.0
69028,CO-ADD:0231352,-3.69,S(c1ccccc1)(=O)(=O)N(c2ccc(c(C)c2)C)CC(=O)N\N=C\c3cccc(O)c3O,0.0
69029,CO-ADD:0227550,-3.69,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2Br)cc(c2O)Br)=C\c3cccs3,0.0
69030,CO-ADD:0236631,-3.69,C1(C#N)(C#N)C(c2cc(Br)ccc2F)C(C3)C(C(C#N)=C1N)=CCN3C(C)C,0.0
69031,CO-ADD:0232956,-3.69,c1(SCC(=O)Nc2ccccc2)ccc(\C=N\NC(=O)CC#N)o1,0.0
69032,CO-ADD:0227629,-3.69,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(cc(I)cc4I)c4O,0.0
69033,CO-ADD:0232901,-3.69,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)Nc(cc3)ccc3Br,0.0
69034,CO-ADD:0236814,-3.69,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c(cc5)ccc5[N+](=O)[O-],0.0
69035,CO-ADD:0233025,-3.69,C(=O)(c1ccccc1C)N\N=C(/C)\c(cc2)ccc2c3ccccc3,0.0
69036,CO-ADD:0236183,-3.69,N1(c(cc2)ccc2C(O)=O)C(=O)CC(N(CC3)CCN3c4ccccc4)C1=O,0.0
69037,CO-ADD:0233040,-3.69,C12(CCCCC1)N(c3ccc(cc3)Br)C(C(=O)S2)C,0.0
69038,CO-ADD:0236701,-3.69,N1(C(=O)CCC1C(=O)Nc(cc2)ccc2OC)C(=O)OCc3ccccc3,0.0
69039,CO-ADD:0233298,-3.7,N1(CCCCCC(=O)Nc(ccc(c2Cl)Cl)c2)C(=O)c3c(cccc3)C1=O,0.0
69040,CO-ADD:0231024,-3.7,C(Oc(cc1)ccc1C(=O)Nc2ccccc2OC)(=S)Nc(cc3)ccc3I,0.0
69041,CO-ADD:0236790,-3.7,[N+](=O)([O-])c1ccccc1Oc(cccc2C(O)=O)c2,0.0
69042,CO-ADD:0236446,-3.7,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c(cccn3)c3)c4nonc4N,0.0
69043,CO-ADD:0233773,-3.7,N(CCC[C@@H]1c(ccn2)o2)(C1)C(CCCCN)=O.Cl,0.0
69044,CO-ADD:0236010,-3.7,c1(SCC(=O)Nc2ccc(cn2)Br)sc(c3n1)cccc3,0.0
69045,CO-ADD:0236486,-3.7,[N+](=O)([O-])c1ccc(cc1NCCOc2cccc(OC)c2)N(CC3)CCO3,0.0
69046,CO-ADD:0233340,-3.7,c12c(CN(CCCCCN(C3)CC4(c5c3cc(OC)c(c5)OC)CCCC4)CC16CCCC6)cc(OC)c(OC)c2.Cl.Cl,0.0
69047,CO-ADD:0233738,-3.7,c1([nH]nc(C(CC2)CCN2C([C@H](CCCCN)N)=O)c1)C(F)(F)F.Cl.Cl,0.0
69048,CO-ADD:0227705,-3.7,C1(c2ccc(cc2)\N=C\C=C\c3ccccc3Cl)=Cc4c(OC1=O)cccc4,0.0
69049,CO-ADD:0229423,-3.7,C(=O)(OC(CC1(C)C)CC(N1)(C)C)c2ccccc2C(=O)OC(CC3(C)C)CC(N3)(C)C,0.0
69050,CO-ADD:0231849,-3.7,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)OCC(O)=O)c1,0.0
69051,CO-ADD:0243285,-3.7,c12c(cc(cc1OC)CC(CC(=N3)CO)O3)OCO2,0.0
69052,CO-ADD:0243711,-3.7,C(c(cc(OC)c1c2OCO1)c2)(c3c4n(nc3)C(C)C)C([N+]([O-])=O)C(N4)=O,0.0
69053,CO-ADD:0243778,-3.7,n(cc1)cn1CCCN(C(=O)C(O)=C2C(=O)c3sccc3)C2c4cc(OCO5)c5c(OC)c4,0.0
69054,CO-ADD:0243802,-3.7,c(OCO1)(cc2\C=C(/C3=C4C(=O)NC(C)=C3)\OC4=O)c1c(OC)c2OC,0.0
69056,CO-ADD:0243283,-3.7,c12c(OCO1)c(OC)c(OC)c(\C=C(/C)\[N+](=O)[O-])c2,0.0
69057,CO-ADD:0243277,-3.7,c(C(O)=O)(cc(OC)c(c12)OCO1)c2OC,0.0
69059,CO-ADD:0243942,-3.7,c(OCO1)(c(Br)c2C(=O)\C=C\c(cc3OC)ccc3OC)c1c(OC)c2OC,0.0
69061,CO-ADD:0243451,-3.7,c(C(C1)c2cc(OC)c3c(OCO3)c2)(c(NC1=O)c4C(O)=O)n(c4)c5cccc(OC)c5,0.0
69063,CO-ADD:0243623,-3.7,c(CC#N)(c1)cc(OCO2)c2c1OC,0.0
69064,CO-ADD:0243202,-3.7,c(Br)(c1OC)c(CC2CC(C(=O)N\N=C/c(c3C(F)(F)F)cccc3)=NO2)c(OC)c(OCO4)c14,0.0
69065,CO-ADD:0243946,-3.7,c(c(C(=O)\C=C\c(cc1OC)cc2c1OCO2)c3)c(OC(=O)C)c(OC)c3,0.0
69067,CO-ADD:0243372,-3.7,c1(OC)c(c2c(\C=N\NC(C3C(=O)NCCC3)=O)c(CC4CC(=NO4)C(=O)OCC)c1OC)OCO2,0.0
69069,CO-ADD:0243943,-3.71,c(C(=O)C1OC1c(cc2)cc(OC)c2OC)(c3OC)c(Br)c(OCO4)c4c3OC,0.0
69071,CO-ADD:0243391,-3.71,c(OCO1)(c(OC)cc2\C=C\C(C(C(=O)OC(C)=C3)=C3O)=O)c1c2,0.0
69072,CO-ADD:0243639,-3.71,c(C)(cc1C)nc2c1c(n(ccc3)c3)c(C(=O)N\N=C\c(c(OC)c4OC)cc5c4OCO5)s2,0.0
69075,CO-ADD:0243195,-3.71,C(C1ON=C(c(c2)ccc(Cl)c2)C1)c(c3C=O)c(OC)c(OC)c4c3OCO4,0.0
69076,CO-ADD:0243755,-3.71,n(cc1)ccc1CN(C(=O)C(O)=C2C(=O)c3sccc3)C2c4cc(OCO5)c5c(OC)c4,0.0
69077,CO-ADD:0243467,-3.71,c(C(C1)c2c(OC)c(OC)c3c(OCO3)c2)(c(NC1=O)c4C(O)=O)n(c5cccc(F)c5)c4,0.0
69078,CO-ADD:0243947,-3.71,c(OC)(c(O)c1)ccc1c2oncc2c3cc(OC)c4c(OCO4)c3OC,0.0
69079,CO-ADD:0243227,-3.71,C(c1ccc(F)cc1)(=O)\C=C\c(c(OC)c(OCO2)c23)cc3OC,0.0
69080,CO-ADD:0243563,-3.71,c(c(C)nn1C)(C(CC(N2)=O)c(cc3OC)cc(c34)OCO4)c12,0.0
69083,CO-ADD:0243023,-3.71,c(OC)(c(OC)c1CC2ON=C(CO)C2)c(OC3)c(O3)c1,0.0
69084,CO-ADD:0243055,-3.71,c1(c(Br)c(OC)c(c2c1Br)OCO2)C(ON=C3C(=O)N\N=C\c4ccccc4F)C3C,0.0
69085,CO-ADD:0243880,-3.71,c(cc1)(OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)NCc(cc4)ccc4OC)=C5O)c5cc1,0.0
69086,CO-ADD:0243592,-3.71,c(\C=C\[N+](=O)[O-])(c1)cc(OCO2)c2c1OC,0.0
69087,CO-ADD:0243904,-3.71,C(C(NC=C1C(OCC)=O)=O)(C(c2cc(OC)c(OCO3)c3c2)CC(NCCc(c4c([nH]5)cccc4)c5)=O)=C1O,0.0
69088,CO-ADD:0243262,-3.71,c(OC1)(c(OC)cc2C\C=N/O)c(O1)c2OC,0.0
69090,CO-ADD:0243112,-3.71,c(CC(Cl)C)(c1OC)c(C=O)c(OC)c(OCO2)c12,0.0
69091,CO-ADD:0243120,-3.71,c(OCO1)(c2OC)c1c(c(\C=N\NC(=O)c3ccccc3[N+](=O)[O-])c2CC(CC(=N4)c5ccc(F)cc5)O4)OC,0.0
69092,CO-ADD:0243614,-3.72,c(OCO1)(c1c2OC)c(OC)c(CC(O)CC(c(ccc(OC)c3)c3)NC(c(cc4)ccc4)=O)c2,0.0
69093,CO-ADD:0243889,-3.72,C(C(=O)OCC)(=CNC1=O)C(OC2=O)=C1C(c(c(OC)c(OCO3)c34)cc4OC)C2,0.0
69094,CO-ADD:0243089,-3.72,c(\C=N/NC(c(c1)ccc([N+](=O)[O-])c1)=O)(c2OC)c(CC3CC(C(OCC)=O)=NO3)c(OC)c(OCO4)c24,0.0
69096,CO-ADD:0243046,-3.72,C(C(=O)N\N=C\c1ccc(OC)cc1OC)(C2C)=NOC2c(c(Br)c(c3c4OC)OCO3)c4OC,0.0
69097,CO-ADD:0236941,-3.72,O=C(C1=CC=C(OC)C=C1CC/2)C2=CC3=CC=C(OC)N=C3,0.0
69099,CO-ADD:0243012,-3.72,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCCc(cc4)ccc4Cl)O3)OC.Cl,0.0
69100,CO-ADD:0243116,-3.72,c1(c2OC)c(OCO1)c(c(\C=N\NC(=O)c(cccc3[N+](=O)[O-])c3)c2CC(CC(=N4)c5ccc(F)cc5)O4)OC,0.0
69101,CO-ADD:0243148,-3.72,c(CC(C1)ON=C1C(N)=O)(c(Br)c2OC)c(Br)c(c23)OCO3,0.0
69103,CO-ADD:0243018,-3.72,c1(c2OC)c(OCO1)c(OC)cc2CC(CC(=N3)CNCc(cc4)ccc4C)O3,0.0
69104,CO-ADD:0244000,-3.72,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(OCc2ccccc2)=O)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(=O)CN,0.0
69106,CO-ADD:0243026,-3.72,c(\C(\Cl)=N\O)(c1OC)c(Cl)c(OC)c(c12)OCO2,0.0
69107,CO-ADD:0243042,-3.72,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCCc(c4)c5c([nH]4)ccc(Cl)c5)O3)OC,0.0
69108,CO-ADD:0243154,-3.72,COc1cc(cc(c12)OCO2)CC(O3)CC(CNCCc4c5c(ccc(c5)Cl)[nH]c4)=N3,0.0
69109,CO-ADD:0243883,-3.72,c(cc1)(OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)NCc(cc4OCC)ccc4OC)=C5O)c5cc1,0.0
69110,CO-ADD:0243891,-3.72,c(cc1)(OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)NCc(cc4OCC)ccc4OC)=C5O)c5cc1,0.0
69111,CO-ADD:0236930,-3.72,O=C(C1=CC(OC)=CC=C1CC/2)C2=CC3=COC=C3,0.0
69112,CO-ADD:0236935,-3.72,O=C(/C(CN(C(OC(C)(C)C)=O)C/1)=C/C2=CC=CO2)C1=CC3=CC=CO3,0.0
69113,CO-ADD:0243131,-3.72,c(OC)(cc1\C=C(/C(=O)OC)\C#N)c(OC2)c(O2)c1OC,0.0
69114,CO-ADD:0243139,-3.73,c(cc(OC)c(c12)OCO1)(c2OC)C(C3C)ON=C3CN(CCO4)CC4.Cl,0.0
69115,CO-ADD:0243321,-3.73,C12C(C)(C(O)\C(=C\c3cc(OC4)c(O4)c(OC)c3)\C1)CCC5C2CCC(CC(O)C6)C5(C)C6,0.0
69116,CO-ADD:0243345,-3.73,c12c(C(CC(=O)N1)c(cc(OC)c(c34)OCO3)c4)snc2c5ccccc5,0.0
69117,CO-ADD:0243743,-3.73,C(C(=C(O)C1=O)OC(=C1)CO)(c2cc(OC)c(OCO3)c3c2OC)CC(OCC)=O,0.0
69118,CO-ADD:0243519,-3.73,C1(N2CC(OC)=O)=C(C(CC(=O)N1c3ccc(OC)cc3)c(cc(c4c5OCO4)OC)c5)SC2=O,0.0
69120,CO-ADD:0243837,-3.73,c(OC)(cc1C(=O)CC#N)c(OCO2)c2c1OC,0.0
69121,CO-ADD:0243678,-3.73,C1(C(C(N2)=O)=C(N=C(S1)C)N2C(C)C)c3cc(OCO4)c4c(OC)c3,0.0
69122,CO-ADD:0243782,-3.73,c(c(SCC(=CC1=O)OC(C(c2cc3c(OCO3)c(OC)c2)CC(=O)OC)=C1O)cc4)cc4Cl,0.0
69123,CO-ADD:0243798,-3.73,C(C)(=C1)OC(=O)C(C(c(cc2c(OCO2)c3OC)c3)C(C(=O)Nc(ccc(OC)c4)c4)O5)=C15,0.0
69124,CO-ADD:0243780,-3.73,c(c(SCC(=CC1=O)OC(C(c2cc(OCO3)c3c(OC)c2)CC(=O)OC)=C1O)cc4)cc4F,0.0
69125,CO-ADD:0241324,-3.73,C(C#N)(C(c1scc(Br)c1)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
69126,CO-ADD:0246218,-3.73,C(CN(CC)CC)(=O)NC(C)c1ccccc1.Cl,0.0
69127,CO-ADD:0242710,-3.73,c(cc(cccc1C)c1n2)(\C(\c(c34)cccc3)=N/N=C(\SC=C5c6ccccc6)/N5)c24,0.0
69128,CO-ADD:0246179,-3.73,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N3CCSC3c4ccc(cc4)OC,0.0
69129,CO-ADD:0246137,-3.73,N(c1c(Cl)ccc(c1)C(F)(F)F)(C2=O)C(=O)C(C23)C4OC3C=C4,0.0
69130,CO-ADD:0246186,-3.73,n(Cc1ccc(cc1Cl)Cl)(c2c(c3\C=N\N=C(\SCC4=O)/N4)cccc2)c3,0.0
69131,CO-ADD:0245020,-3.73,c1(C(=O)Oc(cc2)ccc2\C=N\NC(=O)c3ccccc3OC)c(Cl)c4c(cccc4)s1,0.0
69132,CO-ADD:0244424,-3.73,N(C)(C1C)CC(C([H])(O)C1)C,0.0
69133,CO-ADD:0244934,-3.74,C1(C2NC(=S)N1)N(CC(C)O)C(=S)N2c(c3)cccc3,0.0
69134,CO-ADD:0245091,-3.74,N1(c2ccc(cc2)Cl)C(=O)CC(N(CCc3ccccc3)C(=O)\C=C\C(O)=O)C1=O,0.0
69135,CO-ADD:0244919,-3.74,c1(C2(C(C(=O)OC)(NC(=O)C)CC(CCC3)N23)C(=O)N4)c4cccc1,0.0
69136,CO-ADD:0244402,-3.74,n1c(ccc(cccc2O)c12)\C=N\NC(CCc3ccccc3)=O,0.0
69137,CO-ADD:0241514,-3.74,n1c(csc1N)CC(=O)N\N=C(/C)\CC(=O)NC2CCCC2,0.0
69138,CO-ADD:0240533,-3.74,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
69139,CO-ADD:0246148,-3.74,C(=C\c1cc(Br)ccc1OCc2ccccc2)(/C3=O)\Sc(c34)cccc4,0.0
69140,CO-ADD:0245868,-3.74,C(=O)(c1cccc(c1)NC(C)=O)N(c2ccccc2)c3ccc(c4c3)cccc4,0.0
69141,CO-ADD:0241965,-3.74,S(=O)(=O)(c(cccc1C(=O)Nc2sc(c3c2C#N)CCC3)c1)N4CCCCC4,0.0
69142,CO-ADD:0241919,-3.74,c([N+](=O)[O-])(n(CCC(O)=O)nc1[N+](=O)[O-])n1,0.0
69143,CO-ADD:0242762,-3.74,C(=O)(Nc(cccc1NC(=O)c2ccco2)c1)c3ccccc3I,0.0
69144,CO-ADD:0241286,-3.74,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Br)SC(=NN2c6ccc(cc6)Br)C(OCC)=O,0.0
69145,CO-ADD:0241302,-3.74,C1(=S)N(c2ccc(cc2)I)C3(\C(=N\c4cccc(C)c4)\N1)CCCCC3,0.0
69146,CO-ADD:0246039,-3.74,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc5I)cc(c5OC)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
69147,CO-ADD:0246032,-3.74,N1(c2cccc(Br)c2)C(=O)C3C(C(CC4)C=CC34)C1=O,0.0
69148,CO-ADD:0241593,-3.74,c1(SCC(=O)N\N=C\c2cccc(O)c2)nc(C)cc(C)n1,0.0
69149,CO-ADD:0140012,-3.74,O=[N+](C1=CC=C(C2=C(OC)C=CC=C2NC3=CC=CC=C3)C=C1)[O-],0.0
69150,CO-ADD:0137696,-3.74,c(c1c2cccc1)(cc(n2)c3ccccc3)C(=O)Nc(cc4)ccc4CCCC,0.0
69151,CO-ADD:0148738,-3.74,COc1c(c(c(c(C(c(c2N3)cc(c(O4)c2)OC4)C(=C3C5)C(O5)=O)c1)OC)OC)OC,0.0
69152,CO-ADD:0148754,-3.74,c(OC)(cc1CN)c(OC2)c(O2)c1OC.Cl,0.0
69153,CO-ADD:0149026,-3.74,C(c1c(N)c(C(c(cc2)ccc2F)=O)on1)#N,0.0
69154,CO-ADD:0149050,-3.74,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)ccc(Cl)c4)c2)cc1,0.0
69157,CO-ADD:0241704,-3.74,n1c(ccc(C#N)c1SCC(OC=C)=O)c2cccs2,0.0
69158,CO-ADD:0241113,-3.75,S(=O)(=O)(c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)C)Nc3nccc(C)n3,0.0
69159,CO-ADD:0242871,-3.75,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3F,0.0
69160,CO-ADD:0245754,-3.75,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(c2ccccc2)=O)=O)c3cccs3,0.0
69161,CO-ADD:0241290,-3.75,N(\C(=N/c1cccc(C)c1)\C2(N3c4ccc(cc4)OC)CCCCC2)=C3SC.I,0.0
69162,CO-ADD:0241285,-3.75,[nH]1c(cccc2)c2c(CCNC(=O)OC(C)(C)C)c1,0.0
69163,CO-ADD:0244397,-3.75,N1(c2cccc(C)c2)C(=O)CC(N(CC3)CCN3c4ccccc4Cl)C1=O,0.0
69164,CO-ADD:0245045,-3.75,S(c1ccccc1)(=O)(=O)N(CC2)CCN2C(CC(N3c4ccc(cc4)F)=O)C3=O,0.0
69165,CO-ADD:0245709,-3.75,c12n(c(nn1)SCC)ncn2\N=C\c3cccs3,0.0
69166,CO-ADD:0244164,-3.75,C(F)(F)(F)C(=O)Nc(cc1)ccc1N(C)C(C)=O,0.0
69167,CO-ADD:0241823,-3.75,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(cc3OC)cc(c3O)Br)n1,0.0
69168,CO-ADD:0242621,-3.75,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,0.0
69169,CO-ADD:0240526,-3.75,C(=O)(N\N=C\c1ccccc1OC)C(=O)NCc2ccccn2,0.0
69170,CO-ADD:0242364,-3.75,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(OC)c3)OCC,0.0
69171,CO-ADD:0245032,-3.75,c(NC(C)C)(nc(Oc(cc1)ccc1C(OC)=O)nc2NC(C)C)n2,0.0
69172,CO-ADD:0241001,-3.75,N1(c2ccc(cc2)Cl)C(=O)CC(N(CCc3ccccc3)C(C)=O)C1=O,0.0
69173,CO-ADD:0242690,-3.75,C(=N\O)(/c1c(N2)ccc(F)c1)\C2=O,0.0
69174,CO-ADD:0242670,-3.75,C(=C/c1cc(OC)c(cc1[N+](=O)[O-])OCc2ccccc2)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
69175,CO-ADD:0246102,-3.75,C(CSc1ccccn1)(=O)Nc2cccc(OC)c2,0.0
69176,CO-ADD:0246095,-3.75,C12C(NN=C1C(OC)=O)C(N(CC)C2=O)=O,0.0
69177,CO-ADD:0246073,-3.75,c1(N\N=C\C=C\c2ccccc2)c(CC=C)c(C)nc(C)n1,0.0
69178,CO-ADD:0245809,-3.75,n1(C)c(SCC(=O)NCc2ccccc2)nnc1c(cc3)ccc3C(C)(C)C,0.0
69179,CO-ADD:0246090,-3.75,N1(c2ccccc2)N=C(C(N=Nc(cc3)ccc3OC)C1=O)C,0.0
69180,CO-ADD:0241341,-3.75,n1c(c2ccc(cc2)C)csc1N\N=C(\C)/c3ccc(cc3)C,0.0
69181,CO-ADD:0246217,-3.75,N(c1ccccc1I)C(CCC(=O)N\N=C\c2ccccc2Cl)=O,0.0
69182,CO-ADD:0245639,-3.76,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)SCC(=O)Nc3cccc(F)c3,0.0
69183,CO-ADD:0241352,-3.76,c1(ccccc1OCC(=O)N\N=C\c2c(cccc2Cl)Cl)C(=O)N\N=C/c3c(cccc3Cl)Cl,0.0
69184,CO-ADD:0245589,-3.76,c1(SCC(=O)N\N=C(/C)\c2ccccc2O)sc(c3n1)cccc3,0.0
69185,CO-ADD:0153086,-3.76,CN1C=C(NC(/C(C(C=C2)=CC=C2OC)=C([H])/C(C=C3)=CC=C3OC)=O)C=C1C(NC4=CN(C)C(C(NCCCN(C)C)=O)=C4)=O.OC(C(F)(F)F)=O,0.0
69186,CO-ADD:0149641,-3.76,CC1=CC=C(NC(C(C=O)=C2)=O)C2=C1,0.0
69187,CO-ADD:0149824,-3.76,C#CCNC(C(C#N)=C1C2=CC=CC=C2)=NC(NC3CCN(CC4=CC=CC=C4)CC3)=C1C#N,0.0
69189,CO-ADD:0245961,-3.76,N1C(=O)\C(\SC1=S)=C\c(cc2)cc(c2OC(=O)c3ccc(cc3)F)OCC,0.0
69190,CO-ADD:0242822,-3.76,C(C#N)(C1c2ccc(cc2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
69191,CO-ADD:0242806,-3.76,C1(C2=O)C(C(C=C3)OC13CNC(COc4ccccc4)=O)C(N2c(cc5)ccc5[N+](=O)[O-])=O,0.0
69192,CO-ADD:0241249,-3.76,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3ccccc3OC(C)C,0.0
69193,CO-ADD:0245756,-3.76,C(=O)(N\N=C\c(cccn1)c1)C(C)Oc(ccc(c23)cccc2)c3,0.0
69194,CO-ADD:0242808,-3.76,C1(C2c(cc3)ccc3N(C)C)=C(CC(C)(C)CC1=O)NC(CC(C)(C)CC4=O)=C24,0.0
69195,CO-ADD:0245787,-3.76,N1(c2cccc(C)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)NC(=CNC(N4)=O)C4=O,0.0
69196,CO-ADD:0241821,-3.76,c1(N(CC2)CCO2)nc(N\N=C(/C)\c3ccc(cc3)NC(C)=O)nc(NCc4ccccc4)n1.Cl,0.0
69197,CO-ADD:0244839,-3.76,CN(C(=S)N1C)C(C1N2)N3C(S\C(=C(/C4=O)\c5c(cccc5)N4C(C)C)\C3=O)=N2,0.0
69198,CO-ADD:0245825,-3.76,C(=C/c1cccs1)(/C2=O)\Sc(c23)cccc3,0.0
69199,CO-ADD:0245591,-3.76,S(=O)(=O)(c1cc(C)ccc1C)N(CC2)CCN2Cc3ccccc3,0.0
69200,CO-ADD:0241260,-3.76,c1(N2CCCCC2)nc(Cl)nc(Nc(cc3)ccc3C(C)C)n1,0.0
69201,CO-ADD:0241862,-3.77,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3C(F)(F)F)nc(NCc4ccccc4)n1.Cl,0.0
69202,CO-ADD:0241512,-3.77,C(=O)(N\N=C(/C)\CC(=O)NCc1ccccc1OC)C(=O)Nc2ccccc2C,0.0
69203,CO-ADD:0241931,-3.77,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccccc2Cl)=O)c3cccs3,0.0
69204,CO-ADD:0241505,-3.77,C(=O)(NCc1ccccc1OC)C\C(\C)=N\NC(Cc(cc2)ccc2c3ccccc3)=O,0.0
69205,CO-ADD:0242342,-3.77,C(C(OC)=O)(=C(COC)OC(=C1C#N)N)C1c2cccs2,0.0
69206,CO-ADD:0241269,-3.77,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(c(O)c4)OC,0.0
69207,CO-ADD:0241298,-3.77,C1(=S)N(c2ccccc2)C3(\C(=N\c4cccc(C)c4)\N1)CCCCC3,0.0
69208,CO-ADD:0246027,-3.77,N1(C2c3ccccc3)C(S\C(=C\c(ccc4c5ccccc5C(O)=O)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
69209,CO-ADD:0246014,-3.77,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)NCc(ccc(c34)OCO3)c4,0.0
69210,CO-ADD:0246104,-3.77,C(C(F)(F)F)(N1)=C(\C=N\Cc(cc2)ccc2F)C(N1c(cc3)ccc3[N+](=O)[O-])=O,0.0
69211,CO-ADD:0241584,-3.77,C1([N+](=O)[O-])=C(O)N=C(\C=C\c2ccccc2OC)NC1=O,0.0
69212,CO-ADD:0245944,-3.77,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c(c(O)ccc2[N+](=O)[O-])c2)F,0.0
69213,CO-ADD:0245569,-3.77,c1(NC(C)=O)cc(nn1Cc2ccccc2)c3ccc(cc3)Br,0.0
69214,CO-ADD:0245604,-3.77,N(CC(CC(CC12)CC3C1)(C2)C3)(C4=O)C(=O)C(C4C5(Br)c(c67)cccc6)C7(Br)c(c58)cccc8,0.0
69215,CO-ADD:0241342,-3.77,N1(CN(c2nc(OC)nc(N(C)C)n2)S(=O)(=O)c3ccc(cc3)C)C(=O)c4c(cccc4)C1=O,0.0
69216,CO-ADD:0245925,-3.77,S(=O)(=O)(c1ccc(cc1)C)N\N=C(\c2ccccc2)/c3ccc(cc3)OCCCCCCCCCC,0.0
69217,CO-ADD:0241607,-3.77,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c(cccc4[N+](=O)[O-])c4,0.0
69218,CO-ADD:0149634,-3.77,O=C(C1=C(Cl)C2=CC(OCC3=CC=CC=C3)=CC=C2N1C)NC,0.0
69220,CO-ADD:0149836,-3.78,C#CCN(C(C(C#N)=C1C2=CC=CC=C2)=NC(NCCCC3CCN(CC4=CC=CC=C4)CC3)=C1C#N)C.Cl,0.0
69221,CO-ADD:0149838,-3.78,NC(C(C#N)=C1C2=CC=CC=C2)=NC(NCC3=CC=CC=C3)=C1C#N,0.0
69222,CO-ADD:0148586,-3.78,O=C(C1=CC=C(OC)C=C1)/C=C/C2=CC=C(OC)C=C2OC,0.0
69223,CO-ADD:0147075,-3.78,COC(c1ccc(S[Pt]2(C)([N+]3=C(C4=CC(C(OC)=O)=CC=[N+]42)C=C(C(OC)=O)C=C3)(C)C)cc1)=O,0.0
69224,CO-ADD:0137817,-3.78,COC1=C(OC)C2=C(C(C3=CC=C(OC)C=C3)=CC=C2)C4=C1OCO4,0.0
69225,CO-ADD:0137825,-3.78,O=C(OCC)C1=NOC(CC2=CC3=C(C(OC)=C2OC)OCO3)C1,0.0
69226,CO-ADD:0149520,-3.78,COc(c1OC)cc(c(c(N)n2)c(c(cc3)ccc3OC)[nH]2)cc1OC,0.0
69227,CO-ADD:0147060,-3.78,[Re]1(C#[O+])(C#[O+])(Br)([N+]2=C(C3=CC=CC=[N+]31)C=CC=C2)C#[O+],0.0
69229,CO-ADD:0149852,-3.78,BrC(/C(OC1=C2C=CC3=C1C=CC=C3)=NBr)(C2C4=CC=CC=C4[N+]([O-])=O)C#N,0.0
69230,CO-ADD:0246075,-3.78,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)N1)=C\c3cccs3,0.0
69231,CO-ADD:0246069,-3.78,s1c(SCC(=O)Nc(cc2)ccc2C)nnc1\N=C\N(C)C,0.0
69232,CO-ADD:0245831,-3.78,c1(Nc2ccccc2)nc(Cl)nc(NCCCCCCCC)n1,0.0
69233,CO-ADD:0242017,-3.78,c(CC(NC(=O)Oc1ccccc1)C(=O)Nc(ccc(c2C)C)c2)(c3c([nH]4)cccc3)c4,0.0
69234,CO-ADD:0244681,-3.78,C(COc1ccc(cc1Br)Br)(=O)N\N=C\c(cc2)ccc2O,0.0
69235,CO-ADD:0245847,-3.78,S(c1ccccc1)(=O)(=O)C2(CCl)CC(C2)C#N,0.0
69236,CO-ADD:0137861,-3.78,COC1=C(OCO2)C2=C(OC)C(CCC)=C1C3C4=C(CCCC4=O)OC(N)=C3C#N,0.0
69238,CO-ADD:0149257,-3.78,COc(ccc(c(c(c(n1)c2)cc(c2O3)OC3)c(c1C4)C(O4)=O)c5)c5,0.0
69239,CO-ADD:0149215,-3.78,s1c(C(c(cc2c3OCO2)cc3)C4)c(NC4=O)c(c1)c(c5)ccc(OC)c5OC,0.0
69240,CO-ADD:0149732,-3.78,CN1C(C2C3=C(N=C(CCC4)C4=C3N)OC5=C2C(C=CC=C6)=C6C=C5)=NC=C1,0.0
69241,CO-ADD:0149737,-3.78,NC1=C2C(CCCC2)=NC3=C1C(C4=NC=CN4C)C(C(CC(C)(C)C5)=O)=C5O3,0.0
69242,CO-ADD:0149684,-3.79,ClC1=NC=CC=C1C#N,0.0
69243,CO-ADD:0245808,-3.79,n1(c2ccccc2)c(SCc3c(cccc3F)F)nnc1c4ccco4,0.0
69244,CO-ADD:0241003,-3.79,N(c1ccccc1Br)(C(=O)C(C23)C4OC2C=C4)C3=O,0.0
69245,CO-ADD:0245681,-3.79,[N+](=O)([O-])c1cc(ccc1OC)CSc2sc3c(ccc(OCC)c3)n2,0.0
69246,CO-ADD:0242819,-3.79,C(C#N)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
69247,CO-ADD:0242834,-3.79,C1(C)(C(OCC)=O)C=C(C(=O)N1c2ccc(cc2)C)Nc(cc3)ccc3C,0.0
69248,CO-ADD:0242968,-3.79,c(cc(ccc1N(CC2)CCN2Cc(cc3)ccc3NC(CCl)=O)c4n1)cc4.Cl,0.0
69249,CO-ADD:0137841,-3.79,COC1=CC(CC2ON=C(C3=CC=C(OC)C=C3)C2)=CC4=C1OCO4,0.0
69250,CO-ADD:0137880,-3.79,COC1=CC(C2C(C#N)=C(N)OC3=NNC(C4=CC=C(F)C=C4)=C23)=C(OC)C5=C1OCO5,0.0
69251,CO-ADD:0137863,-3.79,COC1=C2C(OCO2)=C(OC)C(CC3ON=C(C4=CC=C(OC)C=C4)C3)=C1Br,0.0
69253,CO-ADD:0148942,-3.79,c1(nc(c2n1Cc3ccc(cc3Cl)F)cccc2)c4nonc4NC(CC)=O,0.0
69254,CO-ADD:0137882,-3.79,COC1=C(/C=C/C(C2=CC=C(Cl)C=C2)=O)C=C(OC)C3=C1OCO3,0.0
69255,CO-ADD:0149861,-3.79,BrC(/C(OC1=C2C(C=CC=C3)=C3C=C1)=NBr)(C2C4=CC=C(C=C4)[N+]([O-])=O)C#N,0.0
69257,CO-ADD:0148571,-3.79,O=C(C1=CC(OC)=C(OC)C=C1OC)/C=C/C2=CC=CC=C2OC,0.0
69258,CO-ADD:0148921,-3.79,n(n1)n[nH]c1c2ccc(c(OC)c2)OC,0.0
69259,CO-ADD:0148833,-3.79,c(OC=C(c(ccc(OC)c1)c1)C2=O)(c23)cc(OC)c(OC)c3OC,0.0
69260,CO-ADD:0148852,-3.79,C1(C#N)=C(N)Oc2c(ccc(c2)N)C1c(cc3OC)cc(c3OC)OC,0.0
69261,CO-ADD:0149149,-3.79,[nH]1c(c2nc1c3ccc(OC)cc3)cc(cc2)OCC,0.0
69262,CO-ADD:0148873,-3.79,C(C#N)(C(c1ccccc1)c(ccc(c2)O)c2O3)=C3N,0.0
69264,CO-ADD:0149061,-3.79,c1(c2c([nH]c1)cccc2)C(=O)C(=O)Nc3cccc(F)c3,0.0
69266,CO-ADD:0149473,-3.79,c1c(c(cc2)ccc2OC)n(c(cc3OC)cc(OC)c3OC)nn1,0.0
69267,CO-ADD:0149362,-3.8,c(c(OC)c1)cc(\C(\C#N)=C\c(ccc(OC)c2)c2)c1,0.0
69270,CO-ADD:0149291,-3.8,c(c(cc1OC)ccc1)(nc2c(cc3)cc(OC)c3OC)on2,0.0
69271,CO-ADD:0153070,-3.8,O=C(C1=C(C(C)C)SC(N)=N1)NC2=CN(C)C(C(NCCN3CCOCC3)=O)=C2.OC(C(F)(F)F)=O,0.0
69272,CO-ADD:0149613,-3.8,O=C1C(C2=CC=CC=C2)CC3=C(N=C(CCCC4)C4=C3N)N1,0.0
69273,CO-ADD:0149751,-3.8,C#CCN(C1=NC(NCCCCC2CCN(CC3=CC=CC=C3)CC2)=C(C(C4=CC=CC=C4)=C1C#N)C#N)C.Cl,0.0
69274,CO-ADD:0149758,-3.8,NC(OC1=C2C(C=CC=C3)=C3C=C1)=C(C2C4=C(C=CC=C4)[N+]([O-])=O)C#N,0.0
69275,CO-ADD:0149759,-3.8,NC(OC1=C2C(C=CC=C3)=C3C=C1)=C(C2C4=CC=C(O)C=C4)C#N,0.0
69276,CO-ADD:0149584,-3.8,FC1=NC(NCC#C)=CC=C1,0.0
69277,CO-ADD:0153049,-3.8,NC1=C(CNC2=CC=CC=C2F)C=NC(C)=N1,0.0
69278,CO-ADD:0149587,-3.8,ClC1=NC(NC(C)=O)=C(C(C2=CC=CC=C2)=C1C#N)C#N,0.0
69279,CO-ADD:0153083,-3.8,O=C(NC1=CN(C)C(C(NC2=NC(C(NCCCN(C)C)=O)=C(CCC(C)C)S2)=O)=C1)C3=NC=C(C=CC=C4)C4=C3.OC(C(F)(F)F)=O,0.0
69280,CO-ADD:0241085,-3.8,N1(c2ccc(c(C)c2)C)C(=O)\C(=C\c(ccc3c4ccc(cc4Cl)Cl)o3)\C(N(c5ccccc5)C1=S)=O,0.0
69281,CO-ADD:0245862,-3.8,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)ccc2C(=O)NNC(CCCCCCC)=O,0.0
69282,CO-ADD:0242196,-3.8,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(N)c3)n1,0.0
69283,CO-ADD:0245691,-3.8,c(nc(cccc1)c1n2)([nH]c(c34)ccc(F)c3)c24,0.0
69284,CO-ADD:0244698,-3.8,c1(ccccc1\N=C\c(cc2)ccc2\C=N\c3ccccc3C(O)=O)C(O)=O,0.0
69285,CO-ADD:0244281,-3.8,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc(cc2)c(O)cc2[N+](=O)[O-])c1,0.0
69287,CO-ADD:0149246,-3.8,c1(Cl)ccc(C2C(C#N)=C(N)Oc(cc3N(CC)CC)c2cc3)cc1,0.0
69288,CO-ADD:0149509,-3.8,c(c(Br)c1C(=O)\C=C\Nc(cc2)cc(OC)c2)c(OC)c(OC)c1,0.0
69289,CO-ADD:0137874,-3.8,O=C1CC(C(C(C)=N2)=C(N1)N2C3=NC4=C(N3)C=CC=C4)C5=CC(O)=C(OC)C=C5,0.0
69292,CO-ADD:0244268,-3.8,c(c(Br)c(Br)c(c1Br)Br)(C2=O)c1C(N2c(cc3)ccc3[N+](=O)[O-])=O,0.0
69293,CO-ADD:0244649,-3.8,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)SC(N\N=C/c3ccccc3F)=N,0.0
69294,CO-ADD:0241000,-3.8,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
69295,CO-ADD:0245705,-3.81,N1(c2ccc(cc2)F)C(=O)CC(N3CCCC3)C1=O,0.0
69296,CO-ADD:0241014,-3.81,N1(c(cc2)ccc2C(=O)N3CCC(CC3)C)C(=O)CCC1=O,0.0
69297,CO-ADD:0241045,-3.81,C(F)(F)(F)c(ccc(c1\N=C\c2cc(Cl)ccc2O)Oc3ccccc3)c1,0.0
69298,CO-ADD:0149344,-3.81,C(c(c1N2)cc(c(O3)c1)OC3)(c(cccc4)c4)C(=C2C5)C(O5)=O,0.0
69299,CO-ADD:0148999,-3.81,c1(nc(c2n1Cc3cccc(F)c3)cccc2)c4nonc4NC(CC)=O,0.0
69300,CO-ADD:0149087,-3.81,c12c(CCOC1c(cc3OC)cc(c3OC)OC)cc(c(OC)c2)OC,0.0
69301,CO-ADD:0149116,-3.81,c(c1)c([nH]2)c(c(C(=O)C(=O)Nc(cc(OCC3)c4O3)cc4)c2)cc1[N+](=O)[O-],0.0
69302,CO-ADD:0148740,-3.81,C1CCC(CC1)(C2(C)O)OC(=O)N2c(n3)cccc3C,0.0
69303,CO-ADD:0148914,-3.81,c1(nc(c2n1Cc(cccc3C(F)(F)F)c3)cccc2)c4nonc4N,0.0
69304,CO-ADD:0246101,-3.81,c(c1c(s2)CCC1)(C3=O)c2N=C(SCC(=O)NCc4ccccc4)N3c5ccccc5,0.0
69305,CO-ADD:0242734,-3.81,C12(CC(CC3C1)CC(C3)C2)C(=O)Nc(cc4)ccc4C(O)=O,0.0
69306,CO-ADD:0244570,-3.81,c1(O)c(cc(cc1C(C)(C)C)CCC(OCCOCCOC(CCc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)=O)=O)C(C)(C)C,0.0
69307,CO-ADD:0244602,-3.81,N1(c2ccc(cc2)Cc(cc3)ccn3)C(=O)c4c(cccc4)C1=O,0.0
69308,CO-ADD:0245286,-3.81,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)\N=C\c4ccccc4O)n1,0.0
69309,CO-ADD:0245869,-3.81,C(=O)(N(c1ccccc1)c2ccc(c3c2)cccc3)c4ccccc4NC(=O)c(cc(C(C)(C)C)cc5C(C)(C)C)c5,0.0
69310,CO-ADD:0244643,-3.81,n1(c2cc(C)ccc2OC(COc3ccccc3)=O)nc4c(cccc4)n1,0.0
69311,CO-ADD:0244682,-3.81,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Br,0.0
69312,CO-ADD:0240996,-3.81,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
69313,CO-ADD:0245714,-3.81,C(C(=O)c(cc1)ccc1[N+](=O)[O-])(C2c3ccc(c(OC)c3)OC)=C(O)C(N2c4ccccc4)=O,0.0
69314,CO-ADD:0245688,-3.81,N1(c2ccccc2C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4scc(Br)c4,0.0
69315,CO-ADD:0244669,-3.81,S(=O)(=O)(c1ccc(cc1)C#N)Nc2ccccc2C,0.0
69317,CO-ADD:0148908,-3.81,n1c[nH]cc1\C=C\C(O)=O,0.0
69319,CO-ADD:0148893,-3.81,c1(C(=O)c2ccc(cc2)F)oc(c3c1N)ccc(Cl)c3,0.0
69320,CO-ADD:0149101,-3.81,c1(c2c([nH]c1)cccc2)C(=O)C(=O)Nc(cccn3)c3,0.0
69321,CO-ADD:0242966,-3.82,C(Cl)(Cl)(Cl)C(c1ccc(cc1)OC)OC(COc2ccccc2)=O,0.0
69322,CO-ADD:0246164,-3.82,n1(cnn2)c2c(Nc3cccc(C)c3C)nc(non4)c14,0.0
69323,CO-ADD:0245744,-3.82,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C/c(c(O)ccc6[N+](=O)[O-])c6)n1,0.0
69324,CO-ADD:0244845,-3.82,C(N(c(c1)cccc1)C(=O)N2C)(C2N3)N=C4N3C(=O)\C(=C(\C5=O)/c(cc6)c(cc6)N5)\S4,0.0
69325,CO-ADD:0242895,-3.82,c(cc(cc1)\C=N\c(cc2)ccc2C(OCC)=O)(Cc(c34)cccc3)c14,0.0
69326,CO-ADD:0245855,-3.82,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c3cc(OC)ccc3OC)c1,0.0
69327,CO-ADD:0245903,-3.82,C12(OC(C)=O)CC(c3c(cccc3)O1)N(CC2(C)OC(C)=O)CCC(c4ccccc4)=O,0.0
69328,CO-ADD:0245738,-3.82,n1(nnc(C(=O)N\N=C\c2cccc(O)c2)c1CN3CCCCC3)c4nonc4N,0.0
69329,CO-ADD:0241810,-3.82,c1(NC(CSc2sc(c3n2)cccc3)=O)sc4c(ccc(OC)c4)n1,0.0
69330,CO-ADD:0241758,-3.82,C12(c3c(NC1=O)cccc3)C(C(=O)OCc4ccccc4)=C(C)OC(N)=C2C(OC)=O,0.0
69331,CO-ADD:0244828,-3.82,C(C)N(C(=O)N1CC)C(C1N2)N=C3N2C(=O)\C(=C(\C4=O)/c(cc5)c(cc5)N4)\S3,0.0
69332,CO-ADD:0241766,-3.82,C1(C#N)(C#N)[C@@H](c(cc2)ccc2[N+](=O)[O-])[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C(C)(C)C,0.0
69333,CO-ADD:0137670,-3.82,C1(=NCCc(cc(c(OC)c2)OC)c12)C(=O)c3ccc(c(OC)c3)OC,0.0
69334,CO-ADD:0148966,-3.82,c1(nc(c2n1CC(=O)Nc(ccc(c3Cl)OC)c3)cccc2)c4nonc4N,0.0
69335,CO-ADD:0148878,-3.82,n(c1c(n2)cccc1)(c3N)c2c(c(c(cc4OC)cc(c4OC)Br)c3C#N)C#N,0.0
69336,CO-ADD:0149166,-3.82,c(c1F)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)cc(OCCO5)c5c4)c2)cc1,0.0
69337,CO-ADD:0149211,-3.82,s1c(C(c(c2)ccc(OC)c2O)C3)c(NC3=O)c(c1)c(c4)ccc(OC)c4OC,0.0
69338,CO-ADD:0149206,-3.82,s1c(C(c(cccc2)c2)CC(=O)N3)c3c(c1)c4ccc(OC)c(c4)OC,0.0
69339,CO-ADD:0242218,-3.82,n1(Cc2ccccc2)c3c(c(CCCC)c1NN=Nc(ccc(c4Cl)Cl)c4)cccc3.Cl,0.0
69340,CO-ADD:0245895,-3.82,c1(OC)cc(CNCc(ccc(c2OC)O)c2)ccc1O.Cl,0.0
69341,CO-ADD:0245781,-3.82,N1(c2ccc(cc2)OC)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4OC,0.0
69342,CO-ADD:0241714,-3.82,C1(C#N)(C#N)[C@H](c2cccs2)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)c5ccc(cc5)OC,0.0
69343,CO-ADD:0241641,-3.82,N1C(=O)C(SC1=N)CC(=O)Nc2ccccc2NC(=O)CC(SC(N3)=N)C3=O,0.0
69344,CO-ADD:0244252,-3.83,N(/c(ccc(c1C)C)c1)=C\c(cc2)ccc2N(C)C,0.0
69345,CO-ADD:0242640,-3.83,n1(c2c(nn1)cccc2)S(=O)(=O)c3ccc(c(OC)c3)OC,0.0
69346,CO-ADD:0244178,-3.83,c1(c(C)cc(cc1C)C)\C=N\c2cccc3c2cccc3\N=C\c4c(C)cc(cc4C)C,0.0
69347,CO-ADD:0244216,-3.83,N1(c2cccc(c2)c3csc(Nc(cc4)ccc4C)n3)C(=O)c5c(cccc5)C1=O.Br,0.0
69348,CO-ADD:0242619,-3.83,C(C#N)(C(c1ccc(cc1)OCC)C2=C(N3c4cccc(C)c4)CCCC2=O)=C3N,0.0
69349,CO-ADD:0242750,-3.83,S(=O)(=O)(c1ccc(cc1)C)NC(C)C(=O)Nc2ccc(cc2C)C,0.0
69350,CO-ADD:0137717,-3.83,c(c(nc(NCc(ccc(OC)c1)c1)o2)n2)(c3NCc4ccc(OC)cc4)non3,0.0
69351,CO-ADD:0137707,-3.83,n1c(c(c2c3cccc2)cc(c4ccc(OC)cc4)n3)sc(n1c5c6ccco6)nn5,0.0
69353,CO-ADD:0149479,-3.83,c1(c(cc2OC)cc(OC)c2OC)c(N)onc1c(cc3)ccc3OC,0.0
69355,CO-ADD:0149052,-3.83,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)cc(C(F)(F)F)cc4)c2)cc1,0.0
69356,CO-ADD:0148804,-3.83,c1(n2nncc2c3ccc(OC)c(OC)c3)c(n4cccc4)non1,0.0
69357,CO-ADD:0149039,-3.83,c1c(c(nc(c(nccn2)c2)o3)n3)ccc4c1OCO4,0.0
69358,CO-ADD:0241750,-3.83,c1(OC(N)=C(C2c(cc3OC)cc(c3OC)OC)C#N)c2c([nH]n1)C,0.0
69359,CO-ADD:0244226,-3.83,C(C#N)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
69360,CO-ADD:0244342,-3.83,c12c(OC(=O)C=C1O)c(c(F)c(F)c2F)F,0.0
69361,CO-ADD:0245659,-3.83,N1(c2ccc(cc2)OC)C(c3ccc(cc3)Cl)Nc(c4C1=O)cccc4,0.0
69362,CO-ADD:0241088,-3.83,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3c(C)cc(c(c3C)[N+](=O)[O-])C.C(=O)O,0.0
69363,CO-ADD:0244415,-3.83,C(/OB(F)F)(\c1ccc(cc1OC)OC)=C/C(=O)c2ccc(cc2OC)OC,0.0
69364,CO-ADD:0245476,-3.83,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3F)nc(Nc4ccc(cc4Br)C)n1.Cl.Cl,0.0
69365,CO-ADD:0240993,-3.83,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c5ccc(cc5)C,0.0
69366,CO-ADD:0240585,-3.84,C(c1ccccc1)(=O)NC(CCSC)C(=O)OCC(=O)Nc2ccc(cn2)Br,0.0
69367,CO-ADD:0244661,-3.84,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C\c(cc3)ccc3N(CC)CC,0.0
69368,CO-ADD:0242667,-3.84,C1(C(OC)=O)=C(C)NC(NC1c2ccccc2OCC(OC)=O)=S,0.0
69369,CO-ADD:0242221,-3.84,c1(cc(C)c(cc1[N+](=O)[O-])C)c2ccc(\C=N\NC(=O)c(cccn3)c3)o2,0.0
69370,CO-ADD:0242752,-3.84,c1(cc(Cl)c(cc1C(O)=O)Cl)C(=O)Nc(cc2)ccc2C(=O)OCC(C)C,0.0
69371,CO-ADD:0242644,-3.84,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc2sccn2)Cl,0.0
69372,CO-ADD:0246024,-3.84,C1(=O)Nc(c2N1)ccc(c2)\N=C/c(ccc(c3OCC)OCc4ccc(cc4Cl)Cl)c3,0.0
69373,CO-ADD:0245340,-3.84,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c4c(cccc4Cl)Cl)n1,0.0
69374,CO-ADD:0241406,-3.84,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4\C(=N\c5cccc(Cl)c5)\C1=O,0.0
69375,CO-ADD:0241343,-3.84,C1(Cl)(Cl)C(C1\C=N\NC(=O)c2cccc(Br)c2)c3ccccc3,0.0
69376,CO-ADD:0137650,-3.84,c(C(=O)c1ccc(cc1)F)(c(N)c(c23)cc(c(N)n2)C#N)s3,0.0
69377,CO-ADD:0149047,-3.84,c1cncc(C2(C)OC(=O)N(CCc(cc(OC)c3OC)c4c3)C24C)c1,0.0
69378,CO-ADD:0149071,-3.84,n(nc(n1c(ccc2c3OCO2)c3)c(c4)cc(OCO5)c5c4)c1S,0.0
69379,CO-ADD:0148895,-3.84,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(cccn3)c3,0.0
69380,CO-ADD:0149313,-3.84,COc(c(c(OC)cc1c(nc(c(cc(c(O2)c3)OC2)c3)o4)n4)OC)c1,0.0
69381,CO-ADD:0148890,-3.84,N1(c2ccc(cc2)F)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
69382,CO-ADD:0148986,-3.84,n1c(c2ccc(c(OC)c2)OC)[nH]nc1Nc3nc(C)cc(C)n3,0.0
69383,CO-ADD:0245718,-3.84,n12c(nc(cc1C(F)(F)F)c3ccccc3)cc(C(=O)Nc4ccc(cn4)Br)n2,0.0
69384,CO-ADD:0242625,-3.84,N1(c2c3cccc2)C(CC(=N3)c(cc4)ccc4c5ccccc5)c(c6C1=O)ccc(OC)c6OC,0.0
69385,CO-ADD:0246190,-3.84,c1(nc(c2n1CC(=O)N\N=C/c(cc3OC)cc(c3OCC#C)I)cccc2)c4nonc4N,0.0
69386,CO-ADD:0245913,-3.85,c(c1c2cc(C)cc1)(c3SC)c(C(N2)(C)C)s[s+]3.[I-],0.0
69387,CO-ADD:0245653,-3.85,N1(c2ccc(cc2)F)C(=O)C(CC1=O)NCCc3ccccc3,0.0
69388,CO-ADD:0242408,-3.85,N1C(=O)\C(\SC1=S)=C/c(cc2OC)cc(c2)OC,0.0
69389,CO-ADD:0250142,-3.85,n12c(ccc(Br)c1)nc(C)c2C(=O)N\N=C/c3ccccc3[N+](=O)[O-],0.0
69390,CO-ADD:0253277,-3.85,N(CN(CC1(C(c2ccccc2)=O)CN3S(=O)(=O)c4ccc(cc4)NC(C)=O)C3)(C1)S(=O)(=O)c5ccc(cc5)NC(C)=O,0.0
69391,CO-ADD:0250104,-3.85,N1c(ccc(c2)CC)c2C3C(CC=C3)C1c(cc4)ccc4[N+](=O)[O-],0.0
69392,CO-ADD:0250715,-3.85,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2[N+](=O)[O-])N(CC3)CCN3Cc4ccccc4,0.0
69393,CO-ADD:0250086,-3.85,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
69394,CO-ADD:0250150,-3.85,N1(c(cccc2C(=O)N3CCCCC3)c2)C(=O)c(c4C1=O)cccc4,0.0
69395,CO-ADD:0256528,-3.85,S(c1ccccc1)(=O)(=O)Nc2ccc(c(cccc3)c23)O,0.0
69396,CO-ADD:0253759,-3.85,N1(CN(CC2)CCN2Cc3ccccc3)c(cccc4)c4\C(=N\c(cc5)ccc5OC)\C1=O,0.0
69397,CO-ADD:0255811,-3.85,c1(C(F)(F)F)nc(sc1c2cccc(Cl)c2)Nc3ccc(cc3C)C,0.0
69398,CO-ADD:0255651,-3.85,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
69399,CO-ADD:0255395,-3.85,n1(c2ccc(cc2)I)c(C)c(cc1C)\C=N\NC(=O)c3cc(Br)cc(Br)c3O,0.0
69400,CO-ADD:0255880,-3.85,n1(c2ccccc2)c(SCC(=O)NC3CC3)nnc1c4ccccc4,0.0
69401,CO-ADD:0253174,-3.85,C(C#N)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)F,0.0
69402,CO-ADD:0253741,-3.85,N1(C(C)(C)C)C(c2cccs2)N(N=C1C(C)=O)c3ccccc3,0.0
69403,CO-ADD:0255965,-3.85,c1(c2ccc(cc2)NC(=O)C3CCC(C)(C(O)=O)C3(C)C)sc4c(ccc(C)c4)n1,0.0
69404,CO-ADD:0255525,-3.85,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc4ccccc4F,0.0
69405,CO-ADD:0249957,-3.85,C(=N)(N1CCCCCC1)\C(\C#N)=N\Nc(cc2)ccc2C,0.0
69406,CO-ADD:0255585,-3.86,[N+](=O)([O-])c(c(C)c(cc1[N+](=O)[O-])\N=C\N(C)C)c1,0.0
69407,CO-ADD:0252218,-3.86,c1(ccc(C(=O)Nc(c(Cl)ccc2[N+](=O)[O-])c2)o1)[N+](=O)[O-],0.0
69408,CO-ADD:0254893,-3.86,c1(C(=O)N\N=C\c(ccc2c(cccc3C(O)=O)c3)o2)nonc1N,0.0
69409,CO-ADD:0254866,-3.86,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(Br)c5,0.0
69410,CO-ADD:0252686,-3.86,C(=O)(C\C(\C)=N/NC(=O)c1cccc(C)c1)NC(C)c2ccccc2,0.0
69411,CO-ADD:0254523,-3.86,C(=O)(Oc(cc1)c(OCC)cc1C(=S)N2CCCCC2)c3ccccc3Cl,0.0
69412,CO-ADD:0252604,-3.86,c1(n2)c(c3c(cccc3)C1=O)nc4c2non4,0.0
69413,CO-ADD:0253079,-3.86,N(c1c2cc(Br)cc1Br)=C(c(ccc3[N+](=O)[O-])o3)OC2(c4ccccc4)c5ccccc5,0.0
69414,CO-ADD:0249224,-3.86,c1(\C=N\c(cc2)ccc2\N=C\c3c4c([nH]c3C)cccc4)c5c([nH]c1C)cccc5,0.0
69415,CO-ADD:0249453,-3.86,c12c(c3c(NC(c4ccc(cc4)OCC)O1)cccc3)nnc(SCCC)n2,0.0
69416,CO-ADD:0249770,-3.86,c1(c2ccc(cc2)NC(=O)c3ccc(c(OC)c3)OC)[nH]c(c4n1)cccc4,0.0
69417,CO-ADD:0249705,-3.86,C(C(OCCCC)=O)(C1c(cccn2)c2)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
69418,CO-ADD:0249704,-3.86,C1(C(=O)OCC(C)C)=C(C)NC(NC1c(cccc2[N+](=O)[O-])c2)=O,0.0
69419,CO-ADD:0248054,-3.86,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C/c(cc2)cc(c2OC(=O)c3cccs3)OCC,0.0
69420,CO-ADD:0247346,-3.86,C(=C\c(ccc(c1OCC)OCc2ccc(cc2Cl)Cl)c1)(/C(=O)c3c4cccc3)\C4=O,0.0
69421,CO-ADD:0254985,-3.86,c1(SCC(=O)Nc(cc2)ccc2CC)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
69422,CO-ADD:0284718,-3.86,N1(C(c2ccc(cc2)Br)CC(c3ccc(cc3)C)=N1)C(=N)SC(CC(N4c5ccc(cc5)I)=O)C4=O,0.0
69423,CO-ADD:0284871,-3.86,C1(=S)NC2(NN1c3ccc(cc3)Cl)CCCCC2,0.0
69424,CO-ADD:0284848,-3.86,C(C(C)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(O)C(N1CCc3ccccc3)=O,0.0
69425,CO-ADD:0284921,-3.86,c1(cc(F)c(cc1Br)F)C(=O)N(CC2)CCN2c(cc3C)c(F)cc3[N+](=O)[O-],0.0
69426,CO-ADD:0283937,-3.86,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)N(CC5)CCO5)c3)nnc1Cc6cccc(cccc7)c67,0.0
69427,CO-ADD:0278568,-3.86,[N+](=O)([O-])\C(\C)=C\c(cc1OCC)cc(c1O)Br,0.0
69428,CO-ADD:0284368,-3.86,N1(c2cccc(c2)C(=O)OCC(=O)c3ccc(cc3)Br)C(=O)C(C4C1=O)C(CC45)C(C5Br)Br,0.0
69429,CO-ADD:0284600,-3.86,c12c(nnc(SCC(=O)Nc3sc(c4c3C#N)CCCC4)n1)c5c(cccc5)n2CCC,0.0
69430,CO-ADD:0284689,-3.86,c1(SCC(=O)Nc(cccc2C(F)(F)F)c2)sc3c(ccc(c3)\N=C\c(cc4)ccc4F)n1,0.0
69431,CO-ADD:0283861,-3.87,C(C(OCCOc1ccccc1)=O)(C2c3ccc(cc3)O)=C(C)NC(CC(c4ccc(cc4)OC)CC5=O)=C25,0.0
69432,CO-ADD:0283045,-3.87,c1(C2)c(CCN2C(=O)c3cccc(C)c3)c4c(cccc4)[nH]1,0.0
69433,CO-ADD:0258811,-3.87,c1(cc(C#N)c(cc1N(CC2)CCO2)C#N)[N+](=O)[O-],0.0
69434,CO-ADD:0259173,-3.87,C1(C(=O)OCc(ccc(c23)OCO2)c3)=C(C)NC(NC1c4ccccc4OCCC)=O,0.0
69435,CO-ADD:0259755,-3.87,c12c(nnc(SC(CC)C(=O)Nc3ccccc3C#N)n1)c4c(cccc4)n2CC,0.0
69436,CO-ADD:0277918,-3.87,n(cc1)ccc1CCSCc2ccccc2.Cl,0.0
69437,CO-ADD:0277958,-3.87,C(c1ccccc1)(=O)N(CC2)CCC2C(=O)N\N=C(/C)\c3ccc(cc3O)O,0.0
69438,CO-ADD:0278057,-3.87,N1(c(cc2)ccc2C(=O)OCC(=O)Nc3cccc(Cl)c3)C(=O)CCC1=O,0.0
69439,CO-ADD:0255852,-3.87,N(C(=O)CSc1[nH]c(c2n1)ccc(C)c2)(c3c4cccc3)c5c(S4)cccc5,0.0
69440,CO-ADD:0255693,-3.87,S(=O)(=O)(N(CC)CC)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c2cc(ccc2N3CCCCC3)[N+](=O)[O-],0.0
69441,CO-ADD:0255733,-3.87,S(=O)(=O)(N(CC)CC)CCP(O)(=O)CN1CCCCC1,0.0
69442,CO-ADD:0255925,-3.87,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N(CC4)CCN4c5ccccc5OC,0.0
69443,CO-ADD:0255686,-3.87,c1(Nc(ccc(c23)cccc2)c3)sc(c(c4ccc(c(Cl)c4)Cl)n1)CCC,0.0
69444,CO-ADD:0255430,-3.87,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Oc(ccc(c23)cccc2)c3,0.0
69445,CO-ADD:0250434,-3.87,n12c(S\C(=C\c3cccc(cccc4)c34)\C1=O)nc(cc(C)c(C)c5)c25,0.0
69446,CO-ADD:0256324,-3.87,S(=O)(=O)(Nc(c1)cc2c(cccc2)n1)c(c3)cc(cc3C(C)(C)C)C(C)(C)C,0.0
69447,CO-ADD:0256294,-3.87,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(ccc(c4[N+](=O)[O-])C)c4)\C1=O,0.0
69448,CO-ADD:0253986,-3.87,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C/c5c(OC)ccc(cccc6)c56)\C1=O)=NC(C)=C2C(OCC)=O,0.0
69449,CO-ADD:0257056,-3.87,N(N(c1ccc(cc1)Br)CC2C(OC)=O)=C2C(C)=O,0.0
69450,CO-ADD:0256400,-3.87,N1(C(=O)c2c(c(cccc3)c3C1=O)cccc2)C4=CNC(NC4=O)=O,0.0
69451,CO-ADD:0255370,-3.87,S(=O)(=O)(N1CCC(CC1)C(OCC)=O)c2cccc(cccn3)c23,0.0
69452,CO-ADD:0255659,-3.88,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)Oc(cccc2NC(=O)c3cccc(OC)c3)c2)c1,0.0
69453,CO-ADD:0250739,-3.88,S(=O)(=O)(c(cccc1C(=O)Nc(cc2)ccc2I)c1)N3CCCCCC3,0.0
69454,CO-ADD:0250550,-3.88,N1(c2ccc(cc2)Br)C(c(cc3)ccc3C(C)(C)C)Nc(c4C1=O)cccc4,0.0
69455,CO-ADD:0255479,-3.88,C(=O)(c(cc1)ccc1C(=O)N(CC2)CCN2C(=O)c(cc3)ccc3N(C4CCCCC4)C5CCCCC5)N(C6CCCCC6)C7CCCCC7,0.0
69456,CO-ADD:0250287,-3.88,c1(\N=C\c2cccc(OC)c2O)c(c3ccc(c(OC)c3)O)nc(cccc4)n14,0.0
69457,CO-ADD:0252433,-3.88,N(C(=O)\C(\S1)=C/c(cc2)ccc2F)=C1N(CC3)CCO3,0.0
69458,CO-ADD:0253101,-3.88,c1(NC(=O)C(CC)SS(=O)(=O)[O-])sc(c2c1C(OCC)=O)CCCC2.[Na+],0.0
69459,CO-ADD:0252196,-3.88,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5)SC,0.0
69460,CO-ADD:0247608,-3.88,c(cc(Br)cc1I)(\C=N\c2ccc(cc2C)C)c1O,0.0
69461,CO-ADD:0252735,-3.88,C(F)(F)(C(F)(F)F)C(SC\C=C\NC(=S)Nc(cc1)ccc1OC)C(C(F)(F)F)C(F)(F)F,0.0
69462,CO-ADD:0254896,-3.88,C1(=C(CCC(C)(C)C1=O)OC(=C23)CCC(C)(C)C2=O)C3c4ccc(cc4)O,0.0
69463,CO-ADD:0252264,-3.88,c(n1)(c2)c(ccc2C(=O)Nc(cc3)ccc3F)ns1,0.0
69464,CO-ADD:0252982,-3.88,C(/C#N)(=C(\N[H])/C(Cl)(Cl)Cl)\C(=O)Nc1ccc(cn1)C,0.0
69465,CO-ADD:0254966,-3.88,C1(C#N)(C#N)C(c2ccccc2Cl)C(C3)C(C(C#N)=C1N)=CCN3CCC,0.0
69466,CO-ADD:0254630,-3.88,C(=O)(NNC(=O)\C=C\c1ccccc1)C(=O)Nc2cc(C)ccc2OC,0.0
69467,CO-ADD:0247810,-3.88,c1(ccccc1I)C(NCCSc2ccccc2C)=O,0.0
69468,CO-ADD:0252962,-3.88,C(CSc1ccccn1)(=O)N\N=C\C(CCC=C2)C2,0.0
69469,CO-ADD:0247811,-3.88,[N+](=O)([O-])c(ccc(c1\C=N\c(c(ccc2C(F)(F)F)OCC(F)(F)C(F)F)c2)O)c1,0.0
69470,CO-ADD:0248043,-3.88,N1(CCCc(cccc2)c12)C(=O)c(cc3)cc(c3[N+](=O)[O-])C,0.0
69471,CO-ADD:0133860,-3.88,O=C(c1[nH]c([N+](=O)[O-])cn1)NCc2ccc(OC(F)(F)F)cc2,0.0
69472,CO-ADD:0278234,-3.89,N1(c2ccc(cc2)F)CC(CC1=O)C(NCCOc3cccc(C)c3)=O,0.0
69473,CO-ADD:0278250,-3.89,C(=C/c(c(cccc1)c1n2Cc3ccccc3F)c2)(/C(=O)NC(N4)=O)\C4=O,0.0
69474,CO-ADD:0278266,-3.89,C(=S)(N1CCCCC1)c2ccccc2OC(=O)\C=C\c(ccc(c3OC)OC)c3,0.0
69475,CO-ADD:0278569,-3.89,[N+](=O)([O-])\C(\C)=C/c(ccc(c1OC)OCCC)c1,0.0
69476,CO-ADD:0278625,-3.89,c(n[nH]c1C(OCC)=O)(C2=O)c1C(N2c3ccc(cc3C)C)=O,0.0
69477,CO-ADD:0284787,-3.89,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(=O)N\N=C(/C)\c3ccc(cc3)OC,0.0
69478,CO-ADD:0283840,-3.89,C(=O)(N\N=C(\CC)/CC)C(=O)Nc1ccc(cc1C)Cl,0.0
69479,CO-ADD:0284592,-3.89,c1(s2)c(CC(C)(C)CC1=O)nc2NC(CSC(c3ccccc3)=O)=O,0.0
69480,CO-ADD:0283200,-3.89,N1(C(CCCCCCC)=O)c2c([C@]([H])(CN(C)CC3)[C@@]13[H])cc(C)cc2.Cl,0.0
69481,CO-ADD:0283081,-3.89,C(C#N)(C(c1ccccc1[N+](=O)[O-])C2C(OCC)=O)=C(SCC(N)=O)NC2=O,0.0
69482,CO-ADD:0283467,-3.89,c1(ccc(c(cccn2)c12)Br)[N+](=O)[O-],0.0
69483,CO-ADD:0283581,-3.89,[N+](=O)([O-])c1cc(cc2c1C=Cc(c3O2)cccc3)[N+](=O)[O-],0.0
69484,CO-ADD:0277761,-3.89,C(C(=O)OCC1CCCO1)(C2c(cccn3)c3)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
69485,CO-ADD:0277299,-3.89,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3F)\N2CCO)N4CCCC4.Br,0.0
69486,CO-ADD:0277628,-3.89,n1c[nH]nc1SCc(cc2)ccc2Cl,0.0
69487,CO-ADD:0277812,-3.89,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc4)ccc4OCc5cccc(cccc6)c56)\C1=O)=NC(C)=C2C(C)=O,0.0
69488,CO-ADD:0277349,-3.89,C(O)(C(OCC)=O)(NC(=O)CC#N)C(F)(F)F,0.0
69489,CO-ADD:0277786,-3.89,C1(C(c2ccccc2)Nc(cc3)ccc3C(OCC)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
69490,CO-ADD:0255582,-3.89,[N+](=O)([O-])c(cc(cc1NC(c2ccccc2)=O)[N+](=O)[O-])c1C,0.0
69491,CO-ADD:0255383,-3.89,N1(\N=C\c(ccc2c(ccc(c3[N+](=O)[O-])Cl)c3)o2)C(=O)c4c(cccc4)C1=O,0.0
69492,CO-ADD:0255895,-3.89,C(=O)(Nc1cccc(F)c1)C(=O)NCC2CCCO2,0.0
69493,CO-ADD:0250390,-3.89,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2)ccc2OCc3c(cccc3Cl)F,0.0
69494,CO-ADD:0253909,-3.89,N(c1ccc(cc1)C)(C2)C=NNC2=O,0.0
69495,CO-ADD:0250082,-3.89,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
69496,CO-ADD:0253869,-3.89,C(=O)(Nc1cccc(Cl)c1)C(NC=O)c2ccccc2Cl,0.0
69497,CO-ADD:0253680,-3.89,N1(c2ccc(c(C)c2)C)C(=O)\C(=C\c3cc(I)cc(I)c3O)\C(NC1=S)=O,0.0
69498,CO-ADD:0256782,-3.89,c(cc1)(c(F)cc1C(=O)c2ccc(cc2)C)N(CC3)CCO3,0.0
69499,CO-ADD:0253713,-3.89,C(=O)(N\N=C(/CCCCC1)\C1)C(=O)Nc2cccc(Br)c2,0.0
69500,CO-ADD:0253402,-3.9,c1(sc(c2C(OCC)=O)NC(=O)CN3CCCCC3)c2CCC(C=O)=C1Cl,0.0
69501,CO-ADD:0253418,-3.9,c1(SCc(cc2)ccc2OC)[nH]c(c3n1)cccc3,0.0
69502,CO-ADD:0250718,-3.9,S(=O)(=O)(N(CC1)CCO1)c2c(F)ccc(c2)C(=O)Nc(cc3)ccc3Cl,0.0
69503,CO-ADD:0253996,-3.9,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccc(cc3)Cl,0.0
69504,CO-ADD:0253831,-3.9,N12C(=NC(C)=CC1=O)N(C=N2)CCC,0.0
69505,CO-ADD:0255314,-3.9,[N+](=O)([O-])c1ccccc1N\N=C(/C#N)\C(=N)N2CCCCC2,0.0
69506,CO-ADD:0255935,-3.9,[N+](=O)([O-])c1ccc(cc1)\N=C\c(cc(Br)c(c2)OC)c2OC,0.0
69507,CO-ADD:0253622,-3.9,c1(c2ccc(c1)c(ccc3c4C(=O)OC(C5CCCCC5)=N3)c4)C(=O)OC(C6CCCCC6)=N2,0.0
69508,CO-ADD:0254414,-3.9,S(=O)(=O)(c1ccc(cc1)C)NC2c3c(cccc3)Oc(cccc4)c24,0.0
69509,CO-ADD:0252420,-3.9,c(C(=O)N\N=C\c(cc1)cc(c1OC(=O)c(cc2OC)cc(c2OC)OC)OC)(c(C)on3)c3c4ccccc4,0.0
69510,CO-ADD:0253056,-3.9,c12n(c(nn1)SCC)ncn2\N=C\c3ccco3,0.0
69511,CO-ADD:0248288,-3.9,[N+](=O)([O-])c1ccc(cc1)NCCNC(=O)c2ccc(cc2)Cl,0.0
69512,CO-ADD:0248289,-3.9,C(C(OCC)=O)(C1c(cccc2[N+](=O)[O-])c2)=C(C)N(C(C)=C1C(OCC)=O)c3ccccc3,0.0
69513,CO-ADD:0248235,-3.9,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4ccccc4Br)n1,0.0
69514,CO-ADD:0254908,-3.9,c12c(non1)nc(Nc(ccc(c3N4)NC4=O)c3)c(N\N=C\c(ccc(c5OC)OCc6ccc(cc6Cl)Cl)c5)n2,0.0
69515,CO-ADD:0255099,-3.9,C1(C)(C23C)C(C24C)(C)C(C1(C)C5(C3)C)(C)C5(C4)C,0.0
69516,CO-ADD:0255138,-3.9,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccn2)c3cc(C)cc(C)c3,0.0
69517,CO-ADD:0255053,-3.9,c1(c2c(o3)cccc2)c3C(CCC(=O)N1)=O,0.0
69518,CO-ADD:0249590,-3.9,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C(OCC)=O)=C1N)c4ccc(cc4)Cl,0.0
69519,CO-ADD:0255088,-3.9,n1(nnc(C(OCC)=O)c1CSc2nccn2C)c3nonc3N,0.0
69520,CO-ADD:0249449,-3.9,C1(C(=O)Oc2ccccc2)=Cc(cc(Br)cc3Br)c3OC1=O,0.0
69521,CO-ADD:0284773,-3.9,c12c(ccc(C(N3c4ccc(cc4)C)=O)c1N3)C(=O)c(c5C2=O)cccc5,0.0
69522,CO-ADD:0278109,-3.9,C(=O)(N\N=C\c1c(cccc1Cl)Cl)C(OC)=O,0.0
69523,CO-ADD:0277593,-3.9,C(=C/c(cc1I)cc(c1OCC=C)I)(/C=C(O2)c3ccccc3)\C2=O,0.0
69524,CO-ADD:0277378,-3.9,c(c(ccc1NCCOC(CC)=O)no2)(c2c3c(C4=O)cccc3)c14,0.0
69525,CO-ADD:0277899,-3.9,c1(c2ccc(cc2)NC(CSc3nnc(C)s3)=O)[nH]c4c(ccc(c4)NC(CSc5nnc(C)s5)=O)n1,0.0
69526,CO-ADD:0277996,-3.91,s1c(COc2ccc(cc2C)C)nnc1N,0.0
69527,CO-ADD:0283766,-3.91,N(CCN1C(c2ccccc2)=O)(C1c(cc3)ccc3N(C)C)S(c4ccccc4)(=O)=O,0.0
69528,CO-ADD:0283582,-3.91,[N+](=O)([O-])c1cc(cc2c1C=Cc3c(ccc(Br)c3)O2)[N+](=O)[O-],0.0
69529,CO-ADD:0283480,-3.91,c12c(ccc(CCC(C)=O)c1)OCO2,0.0
69530,CO-ADD:0283512,-3.91,C1(c2cccc(OC)c2)(c3cccc(OC)c3)CC1C(=O)Nc4cccc(OC)c4,0.0
69531,CO-ADD:0278687,-3.91,C(/c1c(cccc1)CC23CCCCCC2)(\N3)=C(/C(CCC4)=O)\C4=O,0.0
69532,CO-ADD:0278650,-3.91,C1(C(=O)Nc2ccc(cc2Cl)Cl)C(C13)CC\C=C\CC\C=C/CC3,0.0
69533,CO-ADD:0278000,-3.91,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5)OCc(cc(OCO6)c6c7)c7Cl,0.0
69534,CO-ADD:0278112,-3.91,[C@@]1(O)(c2ccccc2)[C@H]([n+]3ccccc3)[C@@H](c4ccccc4F)C(=C([S-])N1)C#N,0.0
69535,CO-ADD:0278041,-3.91,C1(OCCO1)(c2c(N3CC(CCC)=O)cccc2)C3=O,0.0
69536,CO-ADD:0277914,-3.91,c1(C(O)=O)cc(Cl)c(cc1OC)N,0.0
69537,CO-ADD:0258774,-3.91,C1(c2cccc(cccc3)c23)C(CC=C4)C4c5c(ccc(Cl)c5)N1,0.0
69538,CO-ADD:0253513,-3.91,c1([nH]c(c2n1)cccc2)Sc3ccc(\C=N\c(cc4)ccc4OC)o3,0.0
69539,CO-ADD:0256511,-3.91,C(=C\c(ccc1c(cccc2[N+](=O)[O-])c2)o1)(/C(=O)NN3c4ccc(c(C)c4)C)\C3=O,0.0
69540,CO-ADD:0253786,-3.91,c1(c2ccco2)nnc(SCc3c(cccc3Cl)Cl)o1,0.0
69541,CO-ADD:0256515,-3.91,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CNCCN(CC)CC,0.0
69542,CO-ADD:0256915,-3.91,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c4cccc(C)n4)\C1=O,0.0
69544,CO-ADD:0256712,-3.91,C(F)(F)(F)c(ccc(c1\N=C\c2cc(Cl)ccc2O)Oc3cccc(F)c3)c1,0.0
69545,CO-ADD:0255371,-3.91,c1(sc(cc1C(OCC)=O)CC)NC(=O)c(cc2OC)cc(c2OC)OC,0.0
69546,CO-ADD:0257110,-3.92,n1(nnc(C(OCC)=O)c1CN2CCCc(cccc3)c23)c4nonc4N,0.0
69547,CO-ADD:0256375,-3.92,n1(CC(=O)N\N=C\c(ccc(c2OC)OCc3ccc(cc3Cl)Cl)c2)nnnc1N,0.0
69548,CO-ADD:0257144,-3.92,c12c(nnc(SCC(=O)NC(CC(C)C)C(OC)=O)n1)c3c(cccc3)n2CC,0.0
69549,CO-ADD:0250120,-3.92,S(c1ccccc1)(=O)(=O)N(CC(=O)NC(C)c2ccc(cc2)OC)c3c(OC)ccc(OC)c3,0.0
69550,CO-ADD:0256264,-3.92,c1(cnc(NC(CCc2ccccc2)=O)s1)S(=O)(=O)c(cc3)ccc3[N+](=O)[O-],0.0
69551,CO-ADD:0249933,-3.92,c1(OC(N)=C(C2c3ccco3)C#N)c2c([nH]n1)C,0.0
69552,CO-ADD:0255744,-3.92,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(NC1c(cc3OC)cc(c3O)Cl)=O,0.0
69553,CO-ADD:0253684,-3.92,N1(c2cccc(Cl)c2)C(=O)\C(\SC1=S)=C/c(cc3)ccc3C(O)=O,0.0
69554,CO-ADD:0253794,-3.92,c1(\C=N\c(cc2)ccc2OC)c(O)c(O)c(c(cc(C)c3c(c(C)cc(c45)c(C(C)C)c(c(O)c4\C=N\c(cc6)ccc6OC)O)c5O)c1c3O)C(C)C,0.0
69555,CO-ADD:0253618,-3.92,c1(cc(Br)ccc1NC(C2CCCCC2)=O)C(O)=O,0.0
69556,CO-ADD:0255213,-3.92,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)S\C(\NCc(ccc(c34)OCO3)c4)=N\c5ccccc5,0.0
69557,CO-ADD:0253072,-3.92,c(c1cccs1)(c2)nc(n23)ccc(Br)c3,0.0
69558,CO-ADD:0252622,-3.92,c1(S2)c(cc(c(OC(OC)=O)c1Br)Cl)OC2=O,0.0
69559,CO-ADD:0247552,-3.92,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
69560,CO-ADD:0247570,-3.92,c1([nH]c(c2n1)cccc2)Sc3ccc(\C=N\NC(=O)c4ccc(cc4)OC)o3,0.0
69561,CO-ADD:0247968,-3.92,n1(CC(=O)N\N=C\c(ccc(c2OC)OCC)c2)nnnc1N,0.0
69562,CO-ADD:0252212,-3.92,c1(\C=N/NC(=O)c2ccc(cc2)Br)cc(C)ccc1O,0.0
69563,CO-ADD:0252981,-3.92,N1(CCNC(C)=O)C(N1CCNC(C)=O)C,0.0
69564,CO-ADD:0249586,-3.92,S(=O)(=O)(Nc(cc1)ccn1)c2cccc(nsn3)c23,0.0
69565,CO-ADD:0249350,-3.92,N1(c2ccccc2C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C(OC)=O)=C1N)c(cccn4)c4,0.0
69566,CO-ADD:0255085,-3.92,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4c5ccccc5,0.0
69567,CO-ADD:0252495,-3.92,C(=O)(c1ccccc1C)N\N=C(/C)\c2cccc(N)c2,0.0
69568,CO-ADD:0249031,-3.93,c1(N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-])sc(c3n1)cccc3,0.0
69569,CO-ADD:0252668,-3.93,C1(NC(=S)NC2c3c(cccc3)Oc(cccc4)c24)c5c(cccc5)Oc(cccc6)c16,0.0
69570,CO-ADD:0278100,-3.93,C(C(c1ccccc1)=O)(C2c3ccc(cc3)C)=NNC2C(OCC)=O,0.0
69571,CO-ADD:0278044,-3.93,C1(OCCO1)(c2c(N3CC(CC(C)C)=O)cccc2)C3=O,0.0
69572,CO-ADD:0259402,-3.93,c1(N(CC)CC)nc(Nc2ccccc2C)nc(Nc3cc(C)ccc3C)n1.Cl,0.0
69573,CO-ADD:0259962,-3.93,S1(=O)(=O)c(cccc2)c2C(N(C)CC(COc(cc3)ccc3OC)OC(=O)c4ccc(cc4)C)=N1,0.0
69574,CO-ADD:0259476,-3.93,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(=O)Nc(cc2)ccc2OC,0.0
69575,CO-ADD:0259325,-3.93,C12(\C=C\c(cc3)ccc3C)N(CCC(=O)N1)c4c(cccc4)C2(C)C,0.0
69576,CO-ADD:0283750,-3.93,C1(=NC2=O)C(=Cc(cccc3)c3N1c4ccccc4C)C(N2C)=O,0.0
69577,CO-ADD:0283510,-3.93,N12C(S\C(=C\c(ccc(c3)N(CC)CC)c3OC)\C1=O)=NC(C)=C(C(C)=O)C2c4ccc(cc4OC)OC,0.0
69578,CO-ADD:0283526,-3.93,N12C(S\C(=C\c(ccc(c3OC)O)c3)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cccc(cccc5)c45,0.0
69579,CO-ADD:0278221,-3.93,S1(=O)(=O)c(cccc2)c2C(N(CCOC(=O)c3ccc(cc3)OC)c4cccc(C)c4)=N1,0.0
69580,CO-ADD:0278564,-3.93,C(/C#N)(=C(\O)/Cc1ccccc1)\P(c2ccccc2)(c3ccccc3)=S,0.0
69581,CO-ADD:0283432,-3.93,c1(SCC(=O)Nc(cc2)ccc2OC)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
69582,CO-ADD:0277939,-3.93,C(=N\Nc(cc1)ccc1S(O)(=O)=O)(/C2=O)\C(=O)NC(=O)N2,0.0
69583,CO-ADD:0278076,-3.93,C1(c2c(c(cccc3)c13)cccc2)(OC(C4C(OC)=O)C(OC)=O)O4,0.0
69584,CO-ADD:0259549,-3.93,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc2c(cccc3C(F)(F)F)c3)o2,0.0
69585,CO-ADD:0260149,-3.93,c1(OCc2ccccc2)c(I)cc(cc1I)\C=N\NC(=O)c3ccc(c(O)c3)I,0.0
69586,CO-ADD:0259302,-3.93,N1(CN(CC2)CCO2)N=C(OC1=S)c(cc3)ccn3,0.0
69587,CO-ADD:0260150,-3.93,c1(OCC=C)c(I)cc(cc1I)\C=N\NC(=O)c2cccc(O)c2,0.0
69588,CO-ADD:0256252,-3.93,c1(NC(COC(=O)c2ccc(Br)o2)=O)sc(c(ccc3C(OC)=O)n1)c3,0.0
69589,CO-ADD:0250684,-3.93,N1(c(cc2)ccc2C(=O)Oc(cc3)ccc3OC)C(=O)c4c(cccn4)C1=O,0.0
69590,CO-ADD:0250708,-3.93,S(=O)(=O)(N1CCCCCC1)c2c(Cl)ccc(c2)C(=O)Nc(cc3)ccc3I,0.0
69591,CO-ADD:0253539,-3.93,N(CC)(C(c1ccccc1)=NN2CNc3ccccc3)C2=S,0.0
69592,CO-ADD:0250661,-3.93,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(ccs3)c3)c4sc(c5c4C(OCC)=O)CCCC5,0.0
69593,CO-ADD:0250010,-3.94,c1(c2ccco2)nc(n3c1\N=C\c4cccc(OC)c4OCc5ccc(cc5Cl)Cl)cccc3,0.0
69594,CO-ADD:0250662,-3.94,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(Br)s3)c4sc(c5c4C(OCC)=O)CCCC5,0.0
69595,CO-ADD:0253564,-3.94,n1(c2ccccc2)c(SCC3=Nc(cccc4)c4C(=O)N3c5ccc(cc5)CC)nnc1c6ccc(cc6)OC,0.0
69596,CO-ADD:0256316,-3.94,c1(Sc(ccc(c2C#N)C#N)c2)[nH]c(c3n1)cccc3,0.0
69597,CO-ADD:0255614,-3.94,c1(NC(C)CC2Nc3ccccc3C)c2cccc1C,0.0
69598,CO-ADD:0253289,-3.94,c1(C)c(cccc1NC(CSCc(cc(C)cc2C)c2)=O)Cl,0.0
69599,CO-ADD:0250100,-3.94,N1c(ccc(c2)C)c2C3C(CC=C3)C1c4ccc(cc4)\N=C\c(cc5)ccc5Cl,0.0
69600,CO-ADD:0253587,-3.94,c(cc(C(=O)Nc(cc1)ccc1N(CC)CC)cc2[N+](=O)[O-])([N+](=O)[O-])c2Nc(cc3)ccc3Oc4ccccc4,0.0
69601,CO-ADD:0254072,-3.94,C(C#N)(C(c1ccc(cc1)OCC)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
69602,CO-ADD:0253285,-3.94,c1(C#N)c(SC)nsc1N\N=C\c(cc(Br)cc2Br)c2O,0.0
69603,CO-ADD:0256081,-3.94,c1(N(CC2)CCO2)nc(N\N=C\c3cc(OC)ccc3Br)nc(NCc4ccccc4)n1.Cl,0.0
69604,CO-ADD:0255781,-3.94,C1(C(=O)OCC2CCCO2)=C(C)NC(NC1c(cc3OC)cc(c3O)Br)=O,0.0
69605,CO-ADD:0252902,-3.94,C1(=Cc(cc(Br)cc2Br)c2OC1=O)C(=O)N3CCSC3c4ccc(cc4)Br,0.0
69606,CO-ADD:0252728,-3.94,c12c(ccc(OC(CCCCC)=O)c1C)\C(\CCC2)=N\OC(CCCCC)=O,0.0
69607,CO-ADD:0254403,-3.94,n1(c(cc2)ccc2c3ccccc3)cnnn1,0.0
69608,CO-ADD:0248091,-3.94,c1(SCC(=O)Nc(ccc(c2NC(CSc3sc(c4n3)cccc4)=O)C)c2)sc(c5n1)cccc5,0.0
69609,CO-ADD:0247347,-3.94,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3cc(I)cc(I)c3OCc4ccccc4,0.0
69610,CO-ADD:0248177,-3.94,C(=N/NC(CNC(=O)c(cc1OC)cc(c1OC)OC)=O)(/c2c(N3Cc4ccccc4)cccc2)\C3=O,0.0
69611,CO-ADD:0247516,-3.94,c1(C#N)c2c(sc1\N=C\c(cc3I)cc(c3OC)I)CCCC2,0.0
69612,CO-ADD:0252814,-3.94,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc5Sc6ccccc6)o5,0.0
69613,CO-ADD:0249068,-3.94,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c4c(cccc4Cl)F)n1,0.0
69614,CO-ADD:0249033,-3.94,c1(N\N=C(/C)\c2ccc(cc2)Cl)sc(c3n1)cccc3,0.0
69615,CO-ADD:0254707,-3.94,C(=O)(NNC(=O)\C=C\c1ccccc1)C(=O)Nc(cc2)ccc2C,0.0
69616,CO-ADD:0249022,-3.94,[N+](=O)([O-])c(ccc(c1\C=N/n(cnn2)c2)OCc3ccc(cc3Cl)Cl)c1,0.0
69617,CO-ADD:0247805,-3.95,n1c(C)ccc(OCC(=O)N(CC)CC)c1CC.C(O)(=O)C(O)=O,0.0
69618,CO-ADD:0277498,-3.95,C1(C(OC)=O)=C(C)NC(NC1c(cc2)cc(c2OC(F)F)OC)=O,0.0
69619,CO-ADD:0260088,-3.95,n1c(c2ccc(cc2)F)csc1Nc(ccc(c34)OCO3)c4.Br,0.0
69620,CO-ADD:0260057,-3.95,N1(c(ccc(c2C(F)(F)F)Cl)c2)C(=O)C(C(C1=O)C34C=O)C(C)(c5c3cccc5)c(c46)cccc6,0.0
69621,CO-ADD:0259267,-3.95,c(nc(N(c1ccccc1)c2ccccc2)nc3n4c5c(nc4)cccc5)(n3)n6c7c(nc6)cccc7,0.0
69622,CO-ADD:0258554,-3.95,c1(cc(C)c(cc1[N+](=O)[O-])C)c2ccc(\C=C\[N+](=O)[O-])o2,0.0
69623,CO-ADD:0259060,-3.95,[N+](=O)([O-])c1ccc(cc1)N\N=C(\C#N)/C(=N)N2CCCCCC2,0.0
69624,CO-ADD:0283544,-3.95,C(C(OCC)=O)(=C1C)\C(=C\c(ccc(c2OCC)O)c2)\C(N1c3ccc(cc3)OC)=O,0.0
69625,CO-ADD:0278814,-3.95,c12c(C(c(cccc3)c3C1=O)=O)oc(C(F)(F)F)c2C(=O)c4ccc(c(OC)c4)OC,0.0
69626,CO-ADD:0278224,-3.95,n1(C)c(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4C(C)C)c2)nnc1c5ccccc5,0.0
69627,CO-ADD:0278467,-3.95,n1c(c2ccc(cc2C)C)csc1\C(\C#N)=N\Nc(cc3)ccc3C,0.0
69628,CO-ADD:0284054,-3.95,c1(nnc(SCCC)s1)NC(=O)c2ccc(cc2Cl)Cl,0.0
69629,CO-ADD:0283199,-3.95,N(c1ccccc1Cl)(C(=O)C(C23)C(C(C)=O)=NN2c4ccccc4C)C3=O,0.0
69630,CO-ADD:0259567,-3.95,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(NCCc5ccccc5)=O)c3)sc(c6n1)cccc6,0.0
69631,CO-ADD:0260159,-3.95,n1c[nH]nc1SCC(=O)Nc2ccccc2,0.0
69632,CO-ADD:0259528,-3.95,n1nc(c2n1C\C(\C)=N\OC(=O)c3cc(F)c(cc3Cl)F)cccc2,0.0
69633,CO-ADD:0259608,-3.95,c1(NC(=O)c2c(C)onc2c3ccccc3Cl)sc(c4c1C#N)CCC4,0.0
69634,CO-ADD:0259466,-3.95,C1(=C(C)N(N(c2ccccc2)C1=O)C)N(C3c4ccc(cc4)Br)C(=O)C(=C3C(c5ccccc5)=O)O,0.0
69635,CO-ADD:0259522,-3.95,C(/C#N)(=C/c(ccc(c1OC)O)c1)\C(=O)Nc2ccccc2,0.0
69636,CO-ADD:0255831,-3.95,n1(ccnc1C)C(=O)c2cccc(c2C)[N+](=O)[O-],0.0
69637,CO-ADD:0250633,-3.95,N1(C)C(=O)\C(\SC1=S)=C/c(c(cccc2)c2n3C)c3,0.0
69638,CO-ADD:0255547,-3.95,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2cccc(I)c2)O)c1,0.0
69639,CO-ADD:0256932,-3.95,C1(=Nc2c(cccc2)OC1=O)\C(\C(=O)c3ccc(cc3)OCC)=N\Nc4ccccc4,0.0
69640,CO-ADD:0256284,-3.95,C12(OCCO1)N=C(C3(C(C=C4)CCC4C23C#N)C#N)N,0.0
69641,CO-ADD:0256550,-3.95,c(CC(NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C)c1C)(c2c([nH]3)cccc2)c3,0.0
69642,CO-ADD:0253178,-3.95,C(F)(F)(F)c1ccccc1\C=N\NC(=O)c(ccc(c2Cl)Cl)c2,0.0
69643,CO-ADD:0256065,-3.96,c1(c(O)c(\C=N/Nc(nc(NC)nc2Nc(cccc3C(F)(F)F)c3)n2)cc(c1)[N+](=O)[O-])[N+](=O)[O-].Cl,0.0
69644,CO-ADD:0255843,-3.96,[N+](=O)([O-])c1cccc(c1C)C(=O)Nc(c(Cl)ccc2C(F)(F)F)c2,0.0
69645,CO-ADD:0255907,-3.96,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(NC1c3ccccc3F)=O,0.0
69646,CO-ADD:0253631,-3.96,N1c(ccc(c2)Br)c2C3C(CC=C3)C1c(cc4)ccc4C(OC)=O,0.0
69647,CO-ADD:0255476,-3.96,C(c1ccccc1)(c2ccccc2)(c3ccccc3)Nc(cc4)ccc4Oc(cc5)ccc5NC(c6ccccc6)(c7ccccc7)c8ccccc8,0.0
69648,CO-ADD:0253833,-3.96,c1(nnc(Cc2ccc(cc2Cl)Cl)s1)NC(=O)c3ccco3,0.0
69649,CO-ADD:0253926,-3.96,N1\C(=N\N=C(\CC2)/CCC2C(C)(C)C)\SC(C)C1=O,0.0
69650,CO-ADD:0250206,-3.96,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
69651,CO-ADD:0250149,-3.96,c1(c(NCCCN(CC2)CCO2)ccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
69652,CO-ADD:0253522,-3.96,c1(SCC(=O)N\N=C\c2ccc(cc2O)OCC=C)ncccn1,0.0
69653,CO-ADD:0253298,-3.96,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(cc4)F,0.0
69654,CO-ADD:0249186,-3.96,c1(SCC(=O)Nc2sccn2)[nH]c(c3n1)ccc(C)c3,0.0
69655,CO-ADD:0252567,-3.96,n1(nnc(C(=O)N\N=C\c(ccc(c2OC)OC)c2)c1CN3CCc(c4C3)cccc4)c5nonc5N,0.0
69656,CO-ADD:0255109,-3.96,S(c1ccccc1)(=O)(=O)N(c2ccccc2)Cc(cc3)ccc3C(=O)NC(C(C)C)C(C)C,0.0
69657,CO-ADD:0255069,-3.96,N1(Cc2ccccc2)C(C)(O)C3(OC1=O)CCCCC3,0.0
69658,CO-ADD:0255118,-3.96,c(c(OC)c1)(c(OC)cc1C(=S)N(CC2)CCO2)OC(=O)c3ccc(cc3)C,0.0
69659,CO-ADD:0248975,-3.96,c1(NC(CCCCC(O)=O)=O)sc(c2n1)cccc2,0.0
69660,CO-ADD:0254772,-3.96,n1c(c2ccc(cc2)Br)csc1N\N=C(\C)/c3ccc(cc3)OC.Br,0.0
69661,CO-ADD:0254836,-3.96,C12(c3c(NC1=O)ccc(C)c3)C(C#N)=C(N)OC(CCC)=C2C(OCC)=O,0.0
69662,CO-ADD:0247757,-3.96,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)N2CCC(c3ccccc3)C2,0.0
69663,CO-ADD:0248066,-3.96,N1(c2cccc(c2)C(=O)Nc(cccc3C(c4ccccc4)=O)c3)C(=O)c(c5C1=O)ccc(c5)C(=O)Nc(cccc6C(c7ccccc7)=O)c6,0.0
69664,CO-ADD:0248860,-3.96,N(C(=S)NNC(COc1cccc(Cl)c1)=O)C(c2ccccc2)=O,0.0
69665,CO-ADD:0252554,-3.96,c12n(ncn1N)c(nn2)SCC(=O)Nc(cc3)ccc3S(=O)(=O)\N=C\N(C)C,0.0
69666,CO-ADD:0283939,-3.97,c1(n[nH]cn1)C(=O)Nc2cccc(cccc3)c23,0.0
69667,CO-ADD:0284684,-3.97,N(c1ccccc1[N+](=O)[O-])(C(=O)C(C23)N(c4ccc(cc4)Cl)N=C2C(OCC)=O)C3=O,0.0
69668,CO-ADD:0258321,-3.97,[N+](=O)([O-])c(ccc(c1\C=N\O)N2CCCC2)c1,0.0
69669,CO-ADD:0258556,-3.97,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3C(F)(F)F)nc(Nc4cc(C)ccc4C)n1.Cl,0.0
69670,CO-ADD:0259983,-3.97,C(=C/c(ccc1c2ccccc2[N+](=O)[O-])o1)(/C(C)=NN3c4cccc(Cl)c4)\C3=O,0.0
69671,CO-ADD:0259089,-3.97,N1(C(c2ccccc2)=O)N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
69672,CO-ADD:0259123,-3.97,[N+](=O)([O-])c(cccc1C(C(C#N)C#N)C(Sc(cc2)ccc2C)C(c3ccccc3)=O)c1,0.0
69673,CO-ADD:0257502,-3.97,C1(C#N)=CC=C(NC1=S)CCCCCCC,0.0
69674,CO-ADD:0257487,-3.97,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c2ccccc2OCC)=O,0.0
69675,CO-ADD:0283993,-3.97,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c(cc4OC)cc(c4O)Br,0.0
69676,CO-ADD:0283041,-3.97,c1(O2)c(c(nn1c3ccccc3)C)C(CC24C)(C)Oc5c4c(C)nn5c6ccccc6,0.0
69677,CO-ADD:0278815,-3.97,C(=C/c(ccc1c(cc2)cc(c2[N+](=O)[O-])Cl)o1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
69678,CO-ADD:0278306,-3.97,n1(c2cc(C)ccc2OC(=O)c(cccc3S(=O)(=O)N4CCC(CC4)C)c3)nc(c5n1)cccc5,0.0
69679,CO-ADD:0283372,-3.97,C(=O)(Nc1cccc(Br)c1)CCN(CC2)CCN2C.Cl.Cl,0.0
69680,CO-ADD:0279003,-3.97,C(=O)(C(C)(C)C)Nc(cc1)ccc1C(=O)Nc(cc2)ccc2C(C)C,0.0
69681,CO-ADD:0259578,-3.97,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3CCNC(=O)C(=O)Nc4ccccc4,0.0
69682,CO-ADD:0259594,-3.97,C1(\N=C\c(ccc(c2[N+](=O)[O-])Sc3nccn3C)c2)=C(C)N(N(c4ccccc4)C1=O)C,0.0
69683,CO-ADD:0259547,-3.97,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc2c3cc(Cl)ccc3OC)o2,0.0
69684,CO-ADD:0256677,-3.97,N1\C(=N/C)\SC(CC(=O)Nc(cc2)ccc2C(O)=O)C1=O,0.0
69685,CO-ADD:0257118,-3.97,n1(nnc(C(O)=O)c1CN(CC2)CCO2)c3nonc3N,0.0
69686,CO-ADD:0257142,-3.97,c1(NC(CSc2nnc(N)s2)=O)nnc(SCC(=O)Nc(ccc(c3Cl)Cl)c3)s1,0.0
69687,CO-ADD:0256486,-3.97,N1\C(=N\N=C\c(cc2)ccc2OCCCC)\SC(CC(O)=O)C1=O,0.0
69688,CO-ADD:0256503,-3.97,N1(c(ccc(c2C(O)=O)Cl)c2)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
69689,CO-ADD:0256993,-3.97,[N+](=O)([O-])c1ccccc1C(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc4ccccc4)c2,0.0
69690,CO-ADD:0255508,-3.97,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCc(cc3)ccc3OC,0.0
69691,CO-ADD:0250102,-3.97,N1c(cccc2)c2C3C(CC=C3)C1c4ccc(cc4)\N=C\c5ccccc5O,0.0
69692,CO-ADD:0253468,-3.97,N1(NC(=O)c(ccc(c2C3=O)C(N3c4ccc(cc4)Br)=O)c2)C(=O)c5c(cccc5)C1=O,0.0
69693,CO-ADD:0256021,-3.98,C(=O)(c(cc1)ccc1C(=O)Nc(cc2)ccc2Oc(cc3)ccc3NC(=O)c(cc4)ccc4C(=O)N(C(C)C)C(C)C)N(C(C)C)C(C)C,0.0
69694,CO-ADD:0253640,-3.98,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(ccc(c3)N(CC)CC)c3OCc(cc4)ccc4Cl,0.0
69695,CO-ADD:0253502,-3.98,N1(c2cccc(OCC)c2)C(=O)CC(N3CCCCC3)C1=O,0.0
69696,CO-ADD:0253357,-3.98,C1(c2cc(C)ccc2C)=C\C(\C(=O)O1)=C\c(cc3)ccc3OCc4ccccc4,0.0
69697,CO-ADD:0253686,-3.98,S1(=O)(=O)c(cccc2)c2C(NNC(=O)c3ccccc3S(NC)(=O)=O)=N1,0.0
69698,CO-ADD:0253479,-3.98,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc(c2OC)OCc(cc3)ccc3C)c2,0.0
69699,CO-ADD:0250053,-3.98,c1(C#N)c2c(sc1\N=C\c(cccn3)c3)CC(C)CC2,0.0
69700,CO-ADD:0250185,-3.98,n1(nnc(C(N)=O)c1COC)c2nonc2N,0.0
69701,CO-ADD:0248886,-3.98,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c4cc(I)ccc4O)n1,0.0
69702,CO-ADD:0252595,-3.98,C1(C2c3ccc(cc3)F)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
69703,CO-ADD:0254361,-3.98,c(c(F)c1F)(c(F)c(c1F)F)\C=C(/C#N)\c2[nH]c(c3n2)cccc3.Cl,0.0
69704,CO-ADD:0254332,-3.98,c1(\C=N\NC(c2ccccc2)=O)cc(Br)cc(OC)c1O,0.0
69705,CO-ADD:0254738,-3.98,C(C(OCCOC)=O)(C(c1ccccc1I)N2)=C(C)N(C2=O)CC,0.0
69706,CO-ADD:0254327,-3.98,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
69707,CO-ADD:0252853,-3.98,n1c(c2ccccc2)cc(\N=C\c(cc3)ccc3OCc(cc4)ccc4C)n1c5ccccc5,0.0
69708,CO-ADD:0249059,-3.98,C(=C/c1ccccc1OCC=C)(/C(=O)NN2c3ccccc3)\C2=O,0.0
69709,CO-ADD:0254725,-3.98,c(C(=O)c(cc1)ccc1c2ccccc2)(c(N)c(c34)cc(c(N)n3)C#N)s4,0.0
69710,CO-ADD:0255106,-3.98,n1c(c2ccc(cc2)C)csc1N\N=C(\C)/c3ccc(cc3)Br,0.0
69711,CO-ADD:0249460,-3.98,c1(\C=N\NC(=O)c2ccccc2OCC)c3c(cccc3)cc(cccc4)c14,0.0
69712,CO-ADD:0249435,-3.98,n1(nnc(C(=O)N\N=C(/C)\c2ccccc2O)c1CN(CC3)CCO3)c4nonc4N,0.0
69713,CO-ADD:0258362,-3.98,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
69714,CO-ADD:0258370,-3.98,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
69715,CO-ADD:0258491,-3.98,c1(non2)c2nc(Nc3cccc(C)c3C)c(N\N=C\c4ccc(cc4OC)OC)n1,0.0
69716,CO-ADD:0258563,-3.99,C1(c(cc2OCC)cc(c2OC)I)=C3C(c4c(ccc(c45)cccc5)N1)CC(C)(C)CC3=O,0.0
69717,CO-ADD:0259092,-3.99,N1(C(=O)CCC1C(=O)NC2CCCCCC2)C(=O)OCc3ccccc3,0.0
69718,CO-ADD:0258613,-3.99,C1(C(=O)OC(C)C)=C(C)NC(NC1c2ccc(c(OCC)c2)O)=O,0.0
69719,CO-ADD:0257399,-3.99,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5[N+](=O)[O-])OC(C)=O,0.0
69720,CO-ADD:0257520,-3.99,N1(CC(=O)Nc2c(C)cc(cc2C)C)C(=O)c3c(cccc3)C1=O,0.0
69721,CO-ADD:0259245,-3.99,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2cccc(OC)c2,0.0
69722,CO-ADD:0257521,-3.99,N1(CC2CCCO2)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
69723,CO-ADD:0257833,-3.99,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(c(OC)c4)OCc5ccccc5)c3C#N)C#N,0.0
69724,CO-ADD:0278932,-3.99,N1(c2ccccc2C)C(=O)C3C(CC(C=C3C)C(CC(N4c5ccccc5C)=O)C4=O)C1=O,0.0
69725,CO-ADD:0283336,-3.99,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c(ccc(c34)OCO3)c4)NC(c5ccccc5)=O,0.0
69726,CO-ADD:0279161,-3.99,N1(C2c3ccccc3OC)C(S\C(=C\c(ccc4c(cc5)ccc5C(O)=O)o4)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
69727,CO-ADD:0278331,-3.99,c(c(O)c(C(C)(C)C)cc1C(C)(C)C)(oc(n2)c3ccc(c(OC)c3)OC)c12,0.0
69728,CO-ADD:0278626,-3.99,c1(SC)sc2c(ccc(c2)NC(=O)c3ccccc3F)n1,0.0
69729,CO-ADD:0278821,-3.99,S(=O)(=O)(c1ccc(cc1)C)NC(c2ccc(cc2)O)C(Cl)(Cl)Cl,0.0
69730,CO-ADD:0255743,-3.99,C1(C(OCCSC)=O)=C(C)NC(NC1c2cccc(Oc3ccccc3)c2)=O,0.0
69731,CO-ADD:0253237,-3.99,S1(=O)(=O)c(cccc2)c2C(NN(C(c3ccccc3)=O)S(c4ccccc4)(=O)=O)=N1,0.0
69732,CO-ADD:0253333,-3.99,c1(N\N=C/c(cc2)ccc2N(C)C)nc(C)cc(C)n1,0.0
69733,CO-ADD:0253742,-3.99,N1(c2ccccc2)C(c3cccs3)N(N=C1C(C)=O)c4ccc(cc4)Cl,0.0
69734,CO-ADD:0256881,-3.99,c1(\N=C\c(c(Cl)ccc2[N+](=O)[O-])c2)sc(c3c1C(OCC)=O)CCCC3,0.0
69735,CO-ADD:0256757,-3.99,c(C#N)(c(N([H])[H])n(n1)CCO[H])c1\C(\C#N)=C\c(ccc(c2OC)OCc3ccccc3Cl)c2,0.0
69736,CO-ADD:0255910,-3.99,C1(C(OCCCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC)=O,0.0
69737,CO-ADD:0255460,-3.99,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)OCC)c4sc(c5c4C(OCC)=O)CCCC5,0.0
69738,CO-ADD:0250599,-3.99,c12c(cccc1[N+](=O)[O-])C(N(CCOc3ccccc3)C2=O)=O,0.0
69739,CO-ADD:0255940,-3.99,S(=O)(=O)(c(cc1)ccc1c(cc2)ccc2S(=O)(=O)Nc3cccc(F)c3)Nc4cccc(F)c4,0.0
69740,CO-ADD:0249963,-4.0,n1c(N)c(C#N)cc(C#N)c1SCC(=O)NCc2ccco2,0.0
69741,CO-ADD:0256892,-4.0,N(CN(CC1)CCN1C(OCC)=O)(N=C(N2C)c3ccccc3Cl)C2=S,0.0
69742,CO-ADD:0249927,-4.0,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)SC(N)=C1C#N,0.0
69743,CO-ADD:0253920,-4.0,N1(CC(CC1C(=O)Nc2ccc(cc2C)I)O)C(=O)OCc3ccccc3,0.0
69744,CO-ADD:0257077,-4.0,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccccc5)SC(=NN2c6ccc(cc6)C)C(C)=O,0.0
69745,CO-ADD:0256506,-4.0,C(=N\c(cc1)ccc1F)(/C2=O)\c3c(N2)ccc(C)c3Br,0.0
69746,CO-ADD:0247569,-4.0,n1c2c([nH]c1\C=N\NC(COc3ccccc3)=O)cccc2,0.0
69747,CO-ADD:0255159,-4.0,C(CC)(NC(=O)Oc(cc1)ccc1C2CCCCC2)(C(F)(F)F)C(F)(F)F,0.0
69748,CO-ADD:0252787,-4.0,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(OC)c5O,0.0
69749,CO-ADD:0254531,-4.0,N1(N=C(CC1(O)C(F)(F)F)CC)C(=O)c2ccccc2OC,0.0
69750,CO-ADD:0247514,-4.0,N1(\N=C\c2cc(OC)ccc2OC)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
69751,CO-ADD:0248921,-4.0,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)\N=C/c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)n1,0.0
69752,CO-ADD:0254339,-4.0,[N+](=O)([O-])c1ccccc1\C=N\NC(COc(cc2)ccc2C(C)CCC)=O,0.0
69753,CO-ADD:0249309,-4.0,C(F)(F)(F)c(ccc(n1)N\N=C\c(ccc(c23)OCO2)c3)c1,0.0
69754,CO-ADD:0249223,-4.0,c1c(O)c(\C=N\N=C\c(ccc(c2)N(CC)CC)c2O)ccc1N(CC)CC,0.0
69755,CO-ADD:0249296,-4.0,S(=O)(=O)(N1CCCCC1)c2c(Cl)ccc(c2)C(=O)N(CC3)CCN3C,0.0
69756,CO-ADD:0249232,-4.0,c1(C(F)(F)F)nc(sc1c2ccc(cc2)F)N\N=C\c3ccccc3OC,0.0
69757,CO-ADD:0249023,-4.0,n1(\N=C\c(c(ccc2[N+](=O)[O-])OCc3ccc(cc3Cl)Cl)c2)nnnc1N,0.0
69758,CO-ADD:0249736,-4.01,C(=O)(N\N=C\c(ccc(c1OCC)OCCC)c1)C(OC)c2ccccc2,0.0
69761,CO-ADD:0284755,-4.01,c12c(nnc(SCC(=O)Nc3sccn3)n1)c4c(cccc4)n2C,0.0
69762,CO-ADD:0284659,-4.01,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C/c3cccs3)\C1=O)C,0.0
69763,CO-ADD:0284300,-4.01,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c(cc2)ccc2OCc3c(cccc3Cl)F)F,0.0
69764,CO-ADD:0284566,-4.01,S(=O)(=O)(c(cccc1C(=O)Nc2cc(C)ccc2O)c1)N3CCCC3,0.0
69765,CO-ADD:0284614,-4.01,C1(C)=C(C)\C(\C=C(Br)C1=O)=N/OC(c2ccccc2)=O,0.0
69766,CO-ADD:0257530,-4.01,c1(C(=O)N\N=C(/CC2)\CCN2C)c(C)nc3n1ccs3,0.0
69767,CO-ADD:0258002,-4.01,c(c1c(s2)CCC1)(C3=O)c2N=C(SCC(=O)Nc(cc4)ccc4F)N3c5ccccc5,0.0
69768,CO-ADD:0257822,-4.01,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(Cl)cc(Cl)c5OCc6ccccc6,0.0
69769,CO-ADD:0257456,-4.01,c1(nnc(CSCc2ccccc2)s1)NC(=O)c3ccccc3Br,0.0
69770,CO-ADD:0257968,-4.01,C(=O)(c1ccc(cc1)OC)N(CC2)CCN2CCNC(=O)C(=O)NCc3ccco3,0.0
69771,CO-ADD:0278318,-4.01,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=S)=C/c(ccc(c3OC)OCc(cc4)ccc4F)c3,0.0
69772,CO-ADD:0277357,-4.01,C(/C#N)(=C/c1cccc(cccc2)c12)\C(=O)Nc(ccc(c3C)C)c3,0.0
69773,CO-ADD:0278591,-4.01,C(C(OC)=O)(C(OC)=O)c(ccc(c1C#N)C#N)c1,0.0
69774,CO-ADD:0277791,-4.01,c12c(c(ccc1Nc(cc3)ccc3OCC)no4)c4c5c(cccc5)C2=O,0.0
69775,CO-ADD:0277823,-4.01,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3Br)cc(c3O)Br)\N2C4CCCC4,0.0
69776,CO-ADD:0284036,-4.01,N1(C)\C(=N/C)\S\C(=C\c2ccc(cc2Cl)Cl)\C1=O,0.0
69777,CO-ADD:0257018,-4.01,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
69778,CO-ADD:0255818,-4.01,N1(c(cc2Cl)cc(c2N)Cl)C(=O)c3c(cc(cc3)Oc(ccc(c4C5=O)C(N5c(cc6Cl)cc(c6N)Cl)=O)c4)C1=O,0.0
69779,CO-ADD:0253317,-4.01,N1(C(=O)c2ccc(cc2)C)N=C(CC1(O)c3ccc(cc3)Br)CC,0.0
69780,CO-ADD:0250145,-4.01,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)N\N=C(\CCCCCCCCCC3)/C3,0.0
69781,CO-ADD:0255322,-4.01,C1(C(O)=O)(CC1)P(OCC)(OCC)=O,0.0
69782,CO-ADD:0250320,-4.01,N(c1ccccc1[N+](=O)[O-])(C(=O)C(C23)C(C=C4)OC24CO)C3=O,0.0
69783,CO-ADD:0255328,-4.01,c1(C(O)=O)c2c(n(CCCC)c1C(c3ccccc3)=O)cccc2.O,0.0
69784,CO-ADD:0256545,-4.01,C1(=Cc2c(OC1=O)cccc2)C(=O)N3CCSC3c4cccc(Cl)c4,0.0
69785,CO-ADD:0253956,-4.01,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc(c4OC)OCC)c4)\C1=O)=NC(C)=C2C(OCC)=O.[Na+],0.0
69786,CO-ADD:0253949,-4.01,c(\C=N\NC(=O)c1ccccc1C)(c2c([nH]3)cccc2)c3,0.0
69787,CO-ADD:0255352,-4.01,c1(SCC(=O)Nc2cccc(Cl)c2)nc(c3ccccc3)cc(c4ccccc4)n1,0.0
69788,CO-ADD:0257025,-4.01,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
69789,CO-ADD:0252206,-4.02,C(=O)(N\N=C/c(ccc(c1I)OC)c1)c2ccc(cc2)Br,0.0
69790,CO-ADD:0252398,-4.02,c1(non2)c2nc(Nc3cccc(C)c3C)c(N\N=C\c(ccc(c4OC)OC)c4)n1,0.0
69791,CO-ADD:0247971,-4.02,C(=C\c(cc1)ccc1F)(/C(OCC#C)=O)\NC(c2ccccc2)=O,0.0
69792,CO-ADD:0252938,-4.02,N1C(=O)CC(NC1=O)c2ccc(cc2)OC(C)C,0.0
69793,CO-ADD:0254488,-4.02,N1(C(C)C(OC=C)=O)C(=O)c(c2C1=O)cccc2,0.0
69794,CO-ADD:0254419,-4.02,C1(C#N)(C(N)=O)C(C1(C#N)C(N)=O)c2ccccc2,0.0
69795,CO-ADD:0252594,-4.02,c12c(non1)nc(NC(=O)N3)c3n2,0.0
69796,CO-ADD:0252743,-4.02,c1(c2c([nH]c1)cccc2)C(Nc(cc3)ccc3Br)P(OCC)(OCC)=O,0.0
69797,CO-ADD:0254524,-4.02,C(C(OCC)=O)(C1c2ccc(cc2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
69798,CO-ADD:0254495,-4.02,C1(\N=C\c2ccco2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
69799,CO-ADD:0248932,-4.02,C(=C/c(cc1)ccc1F)(/NC(C)=O)\C(OCC)=O,0.0
69800,CO-ADD:0254775,-4.02,n1nc(Cl)c(c2c1N\N=C\c(cc3)ccc3N(C)C)cccc2,0.0
69801,CO-ADD:0249104,-4.02,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c3cccs3)c4nonc4N,0.0
69802,CO-ADD:0254750,-4.02,C(=O)(N\N=C\c(ccc(c1)N(CC)CC)c1OCc2ccc(cc2Cl)Cl)c(cccn3)c3,0.0
69803,CO-ADD:0249216,-4.02,c(n1)(c2)c(ccc2C(=O)Nc3ccccc3F)ns1,0.0
69804,CO-ADD:0249436,-4.02,n1(nnc(C(OCC)=O)c1CSc2ccccn2)c3nonc3N,0.0
69805,CO-ADD:0249729,-4.02,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\Nc(cc2)ncc2C(F)(F)F,0.0
69806,CO-ADD:0248986,-4.02,c1(c2ccccc2F)nnc(N)s1.Cl,0.0
69807,CO-ADD:0249269,-4.02,c1(SCC(NCCCC)=O)sc2c(ccc(c2)\N=C\c(c(O)ccc3[N+](=O)[O-])c3)n1,0.0
69808,CO-ADD:0249234,-4.02,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c2ccccc2OC(=O)c(ccc(c34)OCO3)c4,0.0
69809,CO-ADD:0258639,-4.02,S(c1ccccc1)(=O)(=O)Oc2ccccc2\C=C(\C3=O)/N=C(O3)c4ccccc4Cl,0.0
69810,CO-ADD:0258553,-4.02,N1C(=O)\C(\SC1=N)=C\c(cc2)ccc2C(OC)=O,0.0
69811,CO-ADD:0283287,-4.02,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c3ccc(cc3)OCc4ccccc4,0.0
69812,CO-ADD:0283224,-4.02,C(C(=O)OCC1CCCO1)(C2c3ccc(cc3)O)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
69813,CO-ADD:0284546,-4.02,c1(C(O)c2ccc(cc2)OCC)n(CCC)c3c(cccc3)n1,0.0
69814,CO-ADD:0283803,-4.03,N1(c2cccc(OC)c2)C(=O)CC(N(CC3)CCN3CCN\C=C(/C(=O)C4)\C(=O)CC4(C)C)C1=O,0.0
69815,CO-ADD:0258138,-4.03,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c3cccc(Cl)c3)=O,0.0
69816,CO-ADD:0259926,-4.03,C1(C(C)=O)=C(Nc(cc2)ccc2C)CC(C)(O)C(C(C)=O)C1c3ccc(cc3)F,0.0
69817,CO-ADD:0257221,-4.03,C(=C/c(cc1)ccc1OCCCCC)(/C2=O)\C(c3ccc(cc3)C)=NO2,0.0
69818,CO-ADD:0257678,-4.03,n1(CC=C)c(SCC(=O)c2ccc(cc2C)C)nnc1c3cccc(OC)c3,0.0
69819,CO-ADD:0257671,-4.03,N(c1cccc(Br)c1)(C2=O)C(c3cccc(cccc4)c34)C=C2Nc5cccc(Br)c5,0.0
69820,CO-ADD:0257711,-4.03,S(=O)(=O)(c1ccc(cc1)SC)N(CC2)CCN2c3ccccc3OC,0.0
69821,CO-ADD:0278300,-4.03,N1(c2ccccc2)C(=O)c3c(N=C1SCc4ccc(c(cccc5)c45)F)cccc3,0.0
69822,CO-ADD:0278198,-4.03,S1(=O)(=O)c(cccc2)c2C(N(CC3)CCN3C(=O)c4ccccc4Br)=N1,0.0
69823,CO-ADD:0278589,-4.03,N1(c2ccccc2)C(=O)CC(NC(=O)c3ccc(cc3)N)=N1,0.0
69824,CO-ADD:0278334,-4.03,c1(c2ccco2)nnc(SCC(=O)c3cccc(cccc4)c34)o1,0.0
69825,CO-ADD:0278630,-4.03,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCC)c3,0.0
69826,CO-ADD:0278768,-4.03,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCC)c3)nnc1c5ccccc5,0.0
69827,CO-ADD:0250255,-4.03,N1\C(=N/N=C(\C)/CC)\SC(CC(O)=O)C1=O,0.0
69828,CO-ADD:0255354,-4.03,c12c(nnc(SCCC)n1)c3c(cccc3)n2CCC,0.0
69829,CO-ADD:0254032,-4.03,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)C)SC(=NN2c6ccccc6C)C(C)=O,0.0
69830,CO-ADD:0253430,-4.03,c1(c(C)oc(c2ccccc2)c1)C(=O)Nc(cccc3[N+](=O)[O-])c3,0.0
69831,CO-ADD:0250668,-4.03,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(C(C)(C)C)s3)c4sc(c5c4C(OCC)=O)CCCC5,0.0
69832,CO-ADD:0256396,-4.03,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(NCCOC)=O,0.0
69833,CO-ADD:0257178,-4.03,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(cc5)cc(c56)COC6=O)o4,0.0
69834,CO-ADD:0256812,-4.03,n1c(c2ccc(cc2)SC)[nH]c(c3ccc(cc3)F)c1c4ccccc4,0.0
69835,CO-ADD:0256999,-4.03,c1(c2)c(cc(OC)c2NC(=O)c3ccc(cc3)OCCCCCCCCCC)c4c(cccc4)o1,0.0
69836,CO-ADD:0253377,-4.03,C(C(OCC)=O)(=C1C)\C(=C\c(ccc(c2OC)OCC=C)c2)\C(N1c3ccc(cc3)C)=O,0.0
69837,CO-ADD:0254036,-4.03,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc(OCO2)c2c3)c3Cl,0.0
69838,CO-ADD:0250248,-4.04,S(=O)(=O)(N(CCC)CCC)c(cc1)ccc1C(=O)Nc2cc(OC)cc(cccn3)c23,0.0
69839,CO-ADD:0252347,-4.04,C(=N/N=C(\C=C1)/c(cccc2)c2C1=O)(/c3c(c45)c(ccc3)ccc4)\N5C,0.0
69840,CO-ADD:0252763,-4.04,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(cc3OC)OC,0.0
69841,CO-ADD:0248190,-4.04,C(F)(F)(F)c(ccc(c1\N=C\c2ccccc2O)Oc(cc3)ccc3Cl)c1,0.0
69842,CO-ADD:0247963,-4.04,N1(c2c(Cl)cc(cc2Cl)Cl)C(=O)\C(\C(NC(=O)c(cccc3[N+](=O)[O-])c3)=N1)=C/c(cc4)ccc4N(CC)CC,0.0
69843,CO-ADD:0247940,-4.04,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)\N=C\c(cc4)ccc4Br)n1,0.0
69844,CO-ADD:0255239,-4.04,C(C(OC)=O)(C(c1ccc(c2c1)OCO2)C3=C(N4c5ccccc5F)CC(C)(C)CC3=O)=C4N,0.0
69845,CO-ADD:0247955,-4.04,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(C)=O)n1,0.0
69846,CO-ADD:0255129,-4.04,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C(/C)\c2cccs2)c3ccccc3[N+](=O)[O-],0.0
69847,CO-ADD:0254299,-4.04,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
69848,CO-ADD:0249098,-4.04,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(ccc2c3[nH]c(n2)C)c3)O)c1,0.0
69849,CO-ADD:0254723,-4.04,P(O)(=O)(CCC(O)=O)C(O)c1ccccc1,0.0
69850,CO-ADD:0254710,-4.04,N1(c2cc(C)ccc2C)C(=O)C3C(C(\C(=C(/C4)\CCC4)\C35)C=C5)C1=O,0.0
69851,CO-ADD:0249607,-4.04,c1(Sc2ccc(cc2[N+](=O)[O-])C(C)=O)nnnn1c3ccccc3,0.0
69852,CO-ADD:0254284,-4.04,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C\c2ccccc2[N+](=O)[O-])c3ccccc3[N+](=O)[O-],0.0
69853,CO-ADD:0252550,-4.04,C1(C(=O)Nc2ccc(cc2C)C)C3C1C(CC34)CC4,0.0
69854,CO-ADD:0254781,-4.04,c1(nncs1)NC(=O)c2ccc(cc2)OC,0.0
69855,CO-ADD:0252859,-4.04,c(NC(Cc1ccccc1)=O)(s2)c(C#N)c(c2C(=O)N3CCCCC3)C,0.0
69856,CO-ADD:0254971,-4.04,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)SC(N)=C1C#N,0.0
69857,CO-ADD:0247621,-4.04,C(NCCOc1cccc(OC)c1)(=O)C(c2ccccc2)c3ccccc3,0.0
69858,CO-ADD:0284404,-4.04,c1(NC(=O)c2cccc(c2)OC(C)=O)cc(on1)C,0.0
69859,CO-ADD:0284620,-4.04,n1(C(=O)c2ccccc2Br)c(C)c(c(C)n1)Br,0.0
69860,CO-ADD:0284341,-4.05,c1(Cl)nc(C)cc(C)c1NC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
69861,CO-ADD:0284318,-4.05,C12(c3c(cccc3)C(=NN1c4ccccc4)c5cc(C)ccc5C)SC(=NN2c(cc6)ccc6[N+](=O)[O-])C(C)=O,0.0
69862,CO-ADD:0283838,-4.05,c(\C=N\NC(=O)c1ccc(cc1)Oc(cc2)ccc2O)(cc(OCO3)c3c4)c4Br,0.0
69863,CO-ADD:0284062,-4.05,n1c(c(cc2)ccc2c3ccccc3)[nH]c(c4ccc(cc4)C)c1c5ccccc5,0.0
69864,CO-ADD:0259149,-4.05,N(C(=O)CS1)(C2c(ccc3c4c(Cl)ccc(c4)[N+](=O)[O-])o3)C1=NC(C)=C2C(OCC)=O,0.0
69865,CO-ADD:0279147,-4.05,S(=O)(=O)(C1=C(C)NC(NC1=O)=O)N2c3c([C@]([H])(CN(C)CC4)[C@@]24[H])cc(C)cc3.Cl,0.0
69866,CO-ADD:0284514,-4.05,c12c(c(ccc1Nc3ccccc3)no4)c4c5c(cccc5)C2=O,0.0
69867,CO-ADD:0284538,-4.05,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)NC(=S)NNC(COc(cc3)ccc3Cl)=O,0.0
69868,CO-ADD:0257149,-4.05,c12c(nnc(SCC(=O)Nc3nnc(C(C)C)s3)n1)c4c(cccc4)n2CC,0.0
69869,CO-ADD:0256101,-4.05,c1(Nc2ccccc2)nc(N\N=C/c3cccc(Cl)c3Cl)nc(NC)n1.Cl,0.0
69870,CO-ADD:0249954,-4.05,C(=N)(N1CCCCC1)\C(\C#N)=N\Nc2ccccc2OC,0.0
69871,CO-ADD:0249883,-4.05,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3sccc3C)c4sc(c5c4C#N)CCCCC5,0.0
69872,CO-ADD:0255801,-4.05,N1(c(cc2)ccc2C(C)=O)C(=O)C(C(C1=O)C34C(OC)OC)C(c(c35)cccc5)c(c46)cccc6,0.0
69873,CO-ADD:0253829,-4.05,S1(=O)(=O)c(cccc2)c2C(NN(C(=O)c3ccccc3Br)S(c4ccccc4)(=O)=O)=N1,0.0
69874,CO-ADD:0256403,-4.05,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(=O)N\N=C(\C3)/CCCCC3,0.0
69875,CO-ADD:0256620,-4.05,C(C#N)(C#N)(C(CC(C1(C#N)C#N)C)NN(C)C)C1C,0.0
69876,CO-ADD:0256660,-4.05,C1(C(OCCSCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OC)=O,0.0
69877,CO-ADD:0250250,-4.05,n1(nc(s2)SCC(=O)Nc(cc3)ccc3C(OC)=O)c2nnc1SCC(=O)Nc(cc4)ccc4C(OC)=O,0.0
69878,CO-ADD:0255979,-4.05,c(C(=O)N\N=C\c(cc1)cc(c1OC(=O)c(cc2)ccc2[N+](=O)[O-])OCC)(c(C)on3)c3c4ccccc4,0.0
69879,CO-ADD:0256711,-4.05,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n1,0.0
69880,CO-ADD:0248152,-4.05,c12c(nnc(SCC(=O)Nc3cc(C)ccn3)n1)c4c(cccc4)n2CC=C,0.0
69881,CO-ADD:0248136,-4.05,c1(SCC(=O)Nc2cccc(NC(CSc3nc(C)cc(C)n3)=O)n2)nc(C)cc(C)n1,0.0
69882,CO-ADD:0252922,-4.05,c(nc(Nc1ccccc1C(F)(F)F)nc2n3c(C)cc(C)n3)(n4c(C)cc(C)n4)n2,0.0
69883,CO-ADD:0252464,-4.05,C(=O)(Nc1ccccc1F)c2c(C)cc(c(F)c2)F,0.0
69884,CO-ADD:0252447,-4.06,c1([N+](=O)[O-])nnn(C\C(\C)=N\c2sc(c3c2C(OCC)=O)CCC3)n1,0.0
69885,CO-ADD:0252380,-4.06,N1(CC(=O)OC(CC)C(=O)Nc2sc(c3c2C(OCC)=O)CCCC3)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
69886,CO-ADD:0252394,-4.06,c1(N(CC2)CCO2)nc(N\N=C\c3c[nH]nc3c4ccccc4)nc(Nc(cc5)ccc5F)n1.Cl,0.0
69887,CO-ADD:0253082,-4.06,N1(c2ccccc2)\C(=N/N=C/c3ccco3)\SC(CC(O)=O)C1=O,0.0
69888,CO-ADD:0254921,-4.06,S(=O)(=O)(c(cccc1C(=O)Nc2sc(c3c2C#N)CCCC3)c1)N4CCCC4,0.0
69889,CO-ADD:0254529,-4.06,N1(c2cccc(Cl)c2C)C(CC(C)(C)CC3=O)=C3C(C(C(OC)=O)=C1N)c(cccn4)c4,0.0
69890,CO-ADD:0252500,-4.06,n12c(ccc(N\N=C\c3ccc(cc3OC)OC)n1)nnc2c4ccccc4,0.0
69891,CO-ADD:0249560,-4.06,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(C(C)(C)C)s4,0.0
69893,CO-ADD:0249160,-4.06,c1(C(OCC)=O)c(CN2CCCCC2)n(c(ccc(OC)c3S(c4ccccc4)(=O)=O)c13)C,0.0
69894,CO-ADD:0254838,-4.06,C12(c3c(NC1=O)ccc(C)c3)C(C#N)=C(N)OC(C)=C2C(OC)=O,0.0
69895,CO-ADD:0247767,-4.06,C(=O)(N\N=C(\CC\C(\C1)=N/NC(=O)c(cccn2)c2)/C1)c(cccn3)c3,0.0
69896,CO-ADD:0254814,-4.06,C(C(OCC)=O)(=C(CC(OCC)=O)OC(=C1C#N)N)C1c2ccccc2[N+](=O)[O-],0.0
69897,CO-ADD:0247751,-4.06,N(c1c2cc(cccc3)c3c1)=C(c4ccccc4)CC(=N2)C.S(O)(O)(=O)=O,0.0
69898,CO-ADD:0248039,-4.06,C1(=Cc(cc(Br)cc2Br)c2OC1=O)C(=O)N3CCSC3c4ccc(cc4)Cl,0.0
69899,CO-ADD:0248004,-4.06,n(c1C)(nnc1C(=O)N\N=C\C(\C)=C\c2ccccc2)c3nonc3N,0.0
69900,CO-ADD:0137593,-4.06,O=C(NCCC(N)=N)C1=CC(NC(C2=CC(N(C(C)=O)C(C)=O)=CN2C)=O)=CN1C.OC(C(F)(F)F)=O,0.0
69901,CO-ADD:0284607,-4.06,c(c1ccccc1Cl)([nH]nc2c3cc(Cl)ccc3O)c2,0.0
69902,CO-ADD:0284431,-4.06,n1(cnc2c3ncn2)c3scc1c(cccc4[N+](=O)[O-])c4,0.0
69903,CO-ADD:0284280,-4.07,C1(=Cc2c(OC1=O)cccc2)C(=O)n(ncc3[N+](=O)[O-])c3,0.0
69904,CO-ADD:0284288,-4.07,c1(NC(=O)c2ccccc2Cl)sc(c3c1C(OC)=O)CCCCCC3,0.0
69905,CO-ADD:0284542,-4.07,C(/C(C)=NN1c(ccc(c2C(O)=O)Cl)c2)(=C/c(c(cccc3)c3n4Cc(cc5)ccc5Cl)c4)\C1=O,0.0
69906,CO-ADD:0284231,-4.07,c1(ccc(Cl)s1)\C(\C)=N\NC(=O)c2ccccc2Br,0.0
69907,CO-ADD:0279067,-4.07,C(C(=O)OC(C)(C)C)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)F,0.0
69908,CO-ADD:0277397,-4.07,c12c(n(c(Oc3ccc(cc3OC)\C=C(/Sc4n5c6c(cccc6)n4)\C5=O)n1)C)C(N(C)C(=O)N2C)=O,0.0
69909,CO-ADD:0284189,-4.07,C1(N(CC)C(C)=O)=C(O)C(c(cccc2)c2C1=O)=O,0.0
69910,CO-ADD:0278627,-4.07,c1(SCC)sc2c(ccc(c2)NC(CSc3ccccn3)=O)n1,0.0
69911,CO-ADD:0277555,-4.07,C(=O)(Nc(cc1)ccc1OCCCCC)C(NCCc(cc2)ccc2OC)=O,0.0
69912,CO-ADD:0277332,-4.07,C1(C(=O)OCc2ccccc2)=C(C)NC(=O)NC1c3ccc(cc3)Cl,0.0
69913,CO-ADD:0250326,-4.07,C1(C(=O)Nc(cc2)ccc2C(C)=O)C(C13)CC\C=C/CC3,0.0
69914,CO-ADD:0250583,-4.07,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)NC(=O)c6ccc(cc6Cl)Cl)n1,0.0
69915,CO-ADD:0256567,-4.07,c12c(ncnc1SCc(cc3)ccc3C(O)=O)[nH]cn2,0.0
69916,CO-ADD:0256263,-4.07,N1(CC(OCC(=O)Nc2nnc(CC)s2)=O)C(=O)c3c(cccc3)C1=O,0.0
69917,CO-ADD:0256361,-4.07,n1(\N=C\c2cc(Br)cc(Br)c2OCc3ccc(cc3Cl)Cl)nnnc1N,0.0
69918,CO-ADD:0257090,-4.07,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c4ccccc4F)\C1=O,0.0
69919,CO-ADD:0256393,-4.07,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)N\N=C\c(cccc3C(F)(F)F)c3,0.0
69920,CO-ADD:0257138,-4.07,c12c(nnc(SCC(=O)NC(CC(C)C)C(OC)=O)n1)c3c(cccc3)n2C,0.0
69921,CO-ADD:0256482,-4.07,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(C)s4,0.0
69922,CO-ADD:0257081,-4.08,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=S)=C/c(ccc3c(cccc4C(O)=O)c4)o3,0.0
69923,CO-ADD:0257028,-4.08,N1(c(cccn2)c2)C(=O)C(C(C1=O)C34C(OC)OC)C(c(c35)cccc5)c(c46)cccc6,0.0
69924,CO-ADD:0257037,-4.08,N(CN(CC1)CCO1)(N=C(N2CC)c3ccccc3)C2=S,0.0
69925,CO-ADD:0247561,-4.08,c1(NC(=O)c(cc2)ccc2[N+](=O)[O-])sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3,0.0
69926,CO-ADD:0254445,-4.08,[N+](=O)([O-])c1cccc(c1)\C=N\NC(COc2ccccc2OC)=O,0.0
69927,CO-ADD:0247895,-4.08,C(=O)(Nc(cc1)ccc1Oc2ccccc2)c(cc(cc3NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)c3,0.0
69928,CO-ADD:0252416,-4.08,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2[N+](=O)[O-])CC(=O)N\N=C\c3c(cccc3Cl)Cl,0.0
69929,CO-ADD:0255210,-4.08,N1(c(cc2)ccc2C(OC)=O)C(=O)CC(N(CC3)CCN3Cc4ccccc4)C1=O,0.0
69930,CO-ADD:0248173,-4.08,N1(c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])NC(=O)C(C3C1=O)C(C4(CC4)C35)C=C5,0.0
69931,CO-ADD:0247935,-4.08,c1(c(C)oc(c2ccccc2)c1)C(=O)Nc(cc3)ccc3I,0.0
69932,CO-ADD:0249070,-4.08,s1c(c2ccc(cc2)Br)nnc1NC(COc3ccccc3)=O,0.0
69933,CO-ADD:0249531,-4.08,C1(C2c3ccc(cc3)OCC=C)=C(CC(C)(C)CC1=O)OC(CC(C)(C)CC4=O)=C24,0.0
69934,CO-ADD:0248185,-4.08,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(=O)N(CC5)CCO5)c3,0.0
69935,CO-ADD:0252566,-4.08,c1(NC(COC(CSc2nc(C)cc(C)n2)=O)=O)nnc(C)s1,0.0
69936,CO-ADD:0252509,-4.08,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c3ccccc3Cl,0.0
69937,CO-ADD:0254292,-4.08,C(=O)(N\N=C\c1ccccc1)CCSc(cc2)ccc2Cl,0.0
69938,CO-ADD:0254964,-4.08,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(=O)N\N=C(\C)/Cn(nnc3[N+](=O)[O-])n3)c4nonc4N,0.0
69939,CO-ADD:0248239,-4.08,c1(SCC(NCCCC)=O)sc2c(ccc(c2)\N=C\c3cc(Br)ccc3O)n1,0.0
69940,CO-ADD:0254661,-4.08,C(C(OCC)=O)(C1c2ccc(cc2)Br)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
69941,CO-ADD:0247802,-4.08,C1(c2ccccc2)(\C(=N\c(cc3)ccc3Br)\c(c4C1=O)cccc4)C5=C(c6ccccc6)\C(\c(cccc7)c57)=N\c(cc8)ccc8Br,0.0
69942,CO-ADD:0247782,-4.08,C(F)(F)(F)c(cccc1NC(=O)c2ccc(cc2)Oc(cc3)ccc3C(=O)Nc(cccc4C(F)(F)F)c4)c1,0.0
69943,CO-ADD:0247774,-4.08,C(=O)(N\N=C\c1ccccc1OC(=O)c2ccc(cc2)OC)c3ccco3,0.0
69944,CO-ADD:0284495,-4.08,c12c(nnc(SCC(=O)Nc3nnc(SCC)s3)n1)c(c4n2C(C)C)cccc4,0.0
69945,CO-ADD:0284209,-4.08,c12c(cccc1[N+](=O)[O-])C3C(C(c4ccc(cc4)Cl)N2)CC=C3,0.0
69946,CO-ADD:0283225,-4.09,C(C(=O)OCC1CCCO1)(C2c3ccc(cc3)SC)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
69947,CO-ADD:0278362,-4.09,C(C(C(C1)C2=O)C(=O)N2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C=C1,0.0
69948,CO-ADD:0278385,-4.09,c1(SCC(=O)NCc2ccco2)nc(c3ccccc3)cc(c4ccccc4)n1,0.0
69949,CO-ADD:0278524,-4.09,C1(=O)OC2(C(=C)N1c3ccc(cc3)Cl)CCCCC2,0.0
69950,CO-ADD:0284229,-4.09,n1(c(C)c(c(C)n1)Cl)C(=O)c2ccnn2C,0.0
69951,CO-ADD:0279218,-4.09,c1(S(CCC)(=O)=O)oc(c([n+]2cc(C)cc(C)c2)c1S(CCC)(=O)=O)c3ccc(cc3)F,0.0
69952,CO-ADD:0278886,-4.09,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)Nc3sc(c(c4ccc(cc4)Br)n3)C,0.0
69953,CO-ADD:0278894,-4.09,S(=O)(=O)(c1cccc(cccc2)c12)n3c4c(nc3)cccc4,0.0
69954,CO-ADD:0283962,-4.09,N(Cc1ccccc1)(C(c2ccc(cc2)Cl)=NN3CN4CCC(CC4)C)C3=S,0.0
69955,CO-ADD:0257233,-4.09,C1(c2ccccc2Cl)=N\C(\C(=O)O1)=C/c(cc3)ccc3OC(=O)c4ccc(cc4)OC,0.0
69956,CO-ADD:0277636,-4.09,N(NC(c1ccccc1)=Nc(ccc(C)c2)c23)=C3c4ccc(cc4)Br,0.0
69957,CO-ADD:0277356,-4.09,C(/C#N)(=C/c(cc1)ccc1C(C)C)\C(=O)Nc(ccc(c2C)C)c2,0.0
69958,CO-ADD:0277542,-4.09,C1(NC(CSc2sc(c(ccc3N4C(=O)c(c5C4=O)cccc5)n2)c3)=O)=C(C)N(N(c6ccccc6)C1=O)C,0.0
69959,CO-ADD:0277855,-4.09,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cc5)cc(c5N(C)C)Br)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
69960,CO-ADD:0277384,-4.09,N1(c2ccc(c(Cl)c2)F)C(c(cc3)ccc3C(OC)=O)Nc(c4C1=O)cccc4,0.0
69961,CO-ADD:0256682,-4.09,C1(c2ccccc2OC)=NNC(=S)N1CC=C,0.0
69962,CO-ADD:0256347,-4.09,c1(NC(=O)CN(CC2)CCN2CC(=O)Nc3nnc(SCC(=O)Nc(cc4)ccc4C)s3)nnc(SCC(=O)Nc(cc5)ccc5C)s1,0.0
69963,CO-ADD:0257092,-4.09,c1(c2ccccc2Cl)nnc(NC(=O)c(cc3)ccc3C(C)(C)C)s1,0.0
69964,CO-ADD:0253558,-4.09,N1(CN(CC2C)CC(O2)C)C(=O)c3c(cccc3)C1=O,0.0
69965,CO-ADD:0256700,-4.09,n1c(c2ccc(cc2)F)[nH]c(c3ccc(cc3)OC)c1c4ccc(cc4)OC,0.0
69966,CO-ADD:0256261,-4.09,c1(noc(CCCOc2ccc(cc2Cl)Cl)n1)c3nonc3N,0.0
69967,CO-ADD:0255657,-4.09,S(=O)(=O)(N(CC1)CCO1)c2csc(C(=O)Oc(cc3)ccc3[N+](=O)[O-])c2,0.0
69968,CO-ADD:0255340,-4.09,c1(cc(c(c2c1SCc3cc(C)c(cc3CSc4c5c(cccn5)c(cc4[N+](=O)[O-])[N+](=O)[O-])C)cccn2)[N+](=O)[O-])[N+](=O)[O-],0.0
69969,CO-ADD:0256161,-4.09,C1(=NCC2)N2C(=C(Oc(cc3)ccc3Cl)S1)c4ccccc4.Br,0.0
69970,CO-ADD:0255904,-4.1,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc(n4c5ccc(cc5)I)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
69971,CO-ADD:0256370,-4.1,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(cccc3[N+](=O)[O-])c3O,0.0
69972,CO-ADD:0253555,-4.1,C1(SC(C(=O)N1c2ccc(cc2)OCC)C)(c3c(N4CN(CC5)CCN5c6ccccc6)cccc3)C4=O,0.0
69973,CO-ADD:0248131,-4.1,c1(C#N)c(SC)nsc1N\N=C\c2cccc(I)c2,0.0
69974,CO-ADD:0252243,-4.1,C(C(OC)=O)(C1c2ccc(cc2)Cl)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
69975,CO-ADD:0252221,-4.1,c1(ccccc1O)C(=O)N\N=C\c(cc2OC)cc(c2O)I,0.0
69976,CO-ADD:0247598,-4.1,N1(C(c2ccc(cc2)Cl)CC(c3ccc(cc3)C)=N1)c4scc(c(cccc5[N+](=O)[O-])c5)n4.Br,0.0
69977,CO-ADD:0252718,-4.1,[N+](=O)([O-])c(ccc(c1C2)c3c2cc(cc3)NC(C)=O)c1,0.0
69978,CO-ADD:0252664,-4.1,c1(C2=O)c(sc(COC(C)(C)C3)c13)N=C(SC)N2c4ccccc4,0.0
69979,CO-ADD:0247596,-4.1,N1(c2cc(Cl)cc(Cl)c2)C(=O)CC(N(CC3)CCN3C(CC(N4c5cc(Cl)cc(Cl)c5)=O)C4=O)C1=O,0.0
69980,CO-ADD:0252195,-4.1,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc(c5[N+](=O)[O-])N6CCC(CC6)C)c5,0.0
69981,CO-ADD:0254288,-4.1,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C(/C2)\CCC2)c3ccccc3[N+](=O)[O-],0.0
69982,CO-ADD:0249083,-4.1,C(=O)(NNC(=O)\C=C\c1ccccc1)C(=O)NC(C)C,0.0
69983,CO-ADD:0249374,-4.1,C(=O)(c1ccc(cc1)C)Nc(ccc(c2Cl)Cl)c2,0.0
69984,CO-ADD:0247712,-4.1,C(Oc1ccccc1)(C(=O)OC2C3CCCCC3=O)=C2Cl,0.0
69985,CO-ADD:0247713,-4.1,C(=O)(c(cccc1C(=O)N(C)c2ccc(cc2)N)c1)N(C)c3ccc(cc3)N,0.0
69986,CO-ADD:0249318,-4.1,C1(C(=O)Nc(cc2)ccc2Br)C(C13)C(CC4)CC34,0.0
69987,CO-ADD:0254801,-4.1,N(C(=O)c1cccc(C)c1)c2sccn2,0.0
69988,CO-ADD:0248033,-4.1,S(=O)(=O)(c1cccc(cccc2)c12)N3CCC(CC3)C,0.0
69989,CO-ADD:0254840,-4.1,C12(c3c(NC1=O)cccc3)C(C(OCC)=O)=C(CCC)OC(N)=C2C(OCCOC)=O,0.0
69990,CO-ADD:0249285,-4.1,c1(SCC)nc(c2n1Cc(ccc(c3[N+](=O)[O-])OC)c3)cccc2,0.0
69991,CO-ADD:0254572,-4.1,C(=O)(N\N=C\c(cc1)ccc1N(CC)CC)C(C)Oc(cc2)ccc2OCc3ccccc3,0.0
69992,CO-ADD:0254699,-4.1,S(=O)(=O)(c(cc1)ccc1C2=CSC(=NCC3)N23)N(CC4)CCO4.Br,0.0
69993,CO-ADD:0283077,-4.1,C(=N/c1cc(C)ccc1C)(/S\C(\C2=O)=C/c(cc3)ccc3F)\N2,0.0
69994,CO-ADD:0284045,-4.1,N1(Cc2ccccc2)\C(=N\c(cc3)ccc3F)\SC=C1c4ccc(c5c4)cccc5.Br,0.0
69995,CO-ADD:0283134,-4.11,c(c(C)on1)(c1c2ccccc2)C(=O)N(CC3)CCN3c(cc4)cc(c4[N+](=O)[O-])N(CC5)CCO5,0.0
69996,CO-ADD:0283150,-4.11,c12c(cccc1OC(=O)N(CC)CC)C(=O)c(c3C2=O)cccc3,0.0
69997,CO-ADD:0283048,-4.11,C(c1ccc(c(OC)c1)OC)(NC(CCc2ccccc2)=O)NC(CCc3ccccc3)=O,0.0
69998,CO-ADD:0278856,-4.11,c1(NC(CSc2nnc(C)s2)=O)sc(c3n1)cccc3,0.0
69999,CO-ADD:0257753,-4.11,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C/c3c(OC)ccc(cccc4)c34)\N2,0.0
70000,CO-ADD:0258854,-4.11,c1(Cl)c(cccc1NC(=O)\C=C\c(ccc(c2OC)OC)c2)Cl,0.0
70001,CO-ADD:0257714,-4.11,[N+](=O)([O-])c(cccc1C(=O)Oc(cc2)c(OC)cc2C(=S)N3CCCCC3)c1,0.0
70002,CO-ADD:0257740,-4.11,c1(C(F)(F)F)nc(sc1c2ccc(cc2)F)Nc3ccccc3,0.0
70003,CO-ADD:0257278,-4.11,C1(=O)c2c(CN1CCNC(=O)c3ccc(cc3)C)cccc2,0.0
70004,CO-ADD:0284345,-4.11,N1(c(cccc2)c23)C(c4c(cccc4)OC1CC(C)C)OC3(c5ccccc5)c6ccccc6,0.0
70005,CO-ADD:0260028,-4.11,C(CC)(\N=C(/O)\NC1=NCCS1)(C(F)(F)F)C(F)(F)F,0.0
70006,CO-ADD:0260068,-4.11,N1(c2ccccc2C#N)C(=O)C3C(C(CC4)C=CC34)C1=O,0.0
70007,CO-ADD:0283346,-4.11,c1(C(O)=O)c2c(oc1C)ccc(OC)c2,0.0
70008,CO-ADD:0279169,-4.11,[N+](=O)([O-])c(ccc(c1\C=N\n(c2)cnn2)N3CCCCC3)c1,0.0
70009,CO-ADD:0284463,-4.11,s1c(c(ccc(c23)OCO2)c3)nnc1NC(C)=O,0.0
70010,CO-ADD:0284184,-4.11,C1(c2ccc(cc2)NC(CSc3c(C#N)cc(c(N)n3)C#N)=O)(c4ccc(cc4)NC(CSc5c(C#N)cc(c(N)n5)C#N)=O)c6c(c(cccc7)c17)cccc6,0.0
70011,CO-ADD:0250402,-4.11,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c4cc(Br)ccc4OC(C)C)\C1=O,0.0
70012,CO-ADD:0256949,-4.11,c1(cc(ccc1N2CCCC2)\C=N\c(cc3)ccc3OCCCCCCCC)[N+](=O)[O-],0.0
70013,CO-ADD:0256973,-4.11,n1(CC(=O)Nc(cc2)ccc2[N+](=O)[O-])nnnc1N,0.0
70014,CO-ADD:0249905,-4.11,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc4c(cc5)c(C)c(c5[N+](=O)[O-])C)o4,0.0
70015,CO-ADD:0256053,-4.11,c1(N(CC2)CCO2)nc(N\N=C/c(cc(Br)c(c3)O)c3O)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
70016,CO-ADD:0249946,-4.11,c1(O2)c(c([nH]n1)C)C(C(C#N)=C2N)c3ccccc3,0.0
70017,CO-ADD:0255745,-4.11,C1(C(=O)OCC2CCCO2)=C(C)NC(NC1c3cccc(Cl)c3)=O,0.0
70018,CO-ADD:0255857,-4.11,N(CN1CCCC1)(N=C(N2C)c3cccc(OC)c3)C2=S,0.0
70019,CO-ADD:0253991,-4.11,N12C(S\C(=C/c3ccccc3OC)\C1=O)=C(C(c4ccccc4OC)C(C#N)=C2N)C#N,0.0
70020,CO-ADD:0256300,-4.11,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CCc(cc3)ccc3OC)C(=O)\C=C\C(O)=O)C1=O,0.0
70021,CO-ADD:0250347,-4.12,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)NCc(cc4)ccc4Cl,0.0
70022,CO-ADD:0255403,-4.12,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C/c5c(OCC)ccc(cccc6)c56)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70023,CO-ADD:0252409,-4.12,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(ccc3c4cccc(Cl)c4)o3)nc(NCc5ccco5)n1.Cl,0.0
70024,CO-ADD:0252364,-4.12,c1(C(=O)Nc(cccc2[N+](=O)[O-])c2)c(Cl)c3c(cccc3)s1,0.0
70025,CO-ADD:0248256,-4.12,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cccc(OC)c2OC,0.0
70026,CO-ADD:0253115,-4.12,N1C(SCC(=O)NCc2ccco2)=NN=C(C)C1=O,0.0
70027,CO-ADD:0248156,-4.12,c12c(nnc(SCC(=O)Nc(cc3)ccc3C(C)=O)n1)c4c(cccc4)n2CC=C,0.0
70028,CO-ADD:0253124,-4.12,n(ccn1CCCNC(=O)C(NCCc(ccc(c2OC)OC)c2)=O)c1,0.0
70029,CO-ADD:0247959,-4.12,C(N)(=O)SCC(=O)Nc1ccccc1OC,0.0
70030,CO-ADD:0247343,-4.12,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5Br)cc(c5O)Br,0.0
70031,CO-ADD:0252783,-4.12,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)N\N=C\c(cccc4OCc5ccccc5Cl)c4,0.0
70032,CO-ADD:0252778,-4.12,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cc4)ccc4Cl,0.0
70033,CO-ADD:0249188,-4.12,n(nnc1C(=O)N\N=C(/c2c(N3)cccc2)\C3=O)(c1COC)c4nonc4N,0.0
70034,CO-ADD:0249129,-4.12,N(c1cccc(Br)c1)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
70035,CO-ADD:0249387,-4.12,c1(SCC(=O)Nc(cccc2C(F)(F)F)c2)sc3c(ccc(OCC)c3)n1,0.0
70036,CO-ADD:0249181,-4.12,n1(nnc(C(=O)N\N=C\c2ccccc2O)c1CN3CCCC3)c4nonc4N,0.0
70037,CO-ADD:0255009,-4.12,C(=O)(c1ccccc1Cl)Oc(c(OC)c2)c(OC)cc2C(=S)N(CC3)CCO3,0.0
70038,CO-ADD:0249747,-4.12,c1(C#N)c2c(sc1\N=C\c(cc(OCO3)c3c4)c4Br)CCCC2,0.0
70039,CO-ADD:0248882,-4.13,s1c(c(cccn2)c2)nnc1NC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
70040,CO-ADD:0254613,-4.13,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc4c5ccc(cc5)Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70041,CO-ADD:0254907,-4.13,c12c(non1)nc(Nc(cc3)ccc3F)c(N\N=C\c(ccc4c5c(Cl)ccc(c5)[N+](=O)[O-])o4)n2,0.0
70042,CO-ADD:0249082,-4.13,N(c(ccc(c1)Cc(ccc2c3C(=O)OC(c4ccc(cc4)OC)=N2)c3)c15)=C(c6ccc(cc6)OC)OC5=O,0.0
70043,CO-ADD:0135153,-4.13,c1([N+]([O-])=O)nc(C(OCC)=O)[nH]c1,0.0
70044,CO-ADD:0135148,-4.13,O=C(c1n(Cc2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])n1)N(C)C,0.0
70045,CO-ADD:0135133,-4.13,N1(CC2CCCCC2)CCN(C(Sc(c3C4=O)c([N+]([O-])=O)cc(C(F)(F)F)c3)=N4)CC1.OC(C(F)(F)F)=O,0.0
70046,CO-ADD:0278881,-4.13,C1(C2)(CC(CN2CCO)(CC=C1)[N+](=O)[O-])[N+](=O)[O-],0.0
70047,CO-ADD:0278530,-4.13,c(C(C)=O)(c(C)c[nH]1)c1C,0.0
70048,CO-ADD:0283051,-4.13,[N+](=O)([O-])c1ccc(cc1)CC(=O)N\N=C\c2ccc(C)o2,0.0
70049,CO-ADD:0283059,-4.13,C(C(C1CCCCC1)c2ccccc2)C(=O)c3ccc(cc3)Br,0.0
70050,CO-ADD:0283355,-4.13,c1(C(OCC)=O)c(C)oc(cc(Br)c(OC)c2)c12,0.0
70051,CO-ADD:0279186,-4.13,c1(cc(ccc1N(CC(C)C)CC(C)C)\C=N\c(cc2)ccc2CC(OCC)=O)[N+](=O)[O-],0.0
70052,CO-ADD:0284298,-4.13,N1(Nc2ccccc2C(CC)=O)c(cccc3)c3C(=O)C1(C)OCC,0.0
70053,CO-ADD:0284426,-4.13,C1(C(=O)OC[C@@H]2CCCN3[C@]2([H])CCCC3)=Cc4c(OC1=O)ccc(Br)c4.Cl,0.0
70054,CO-ADD:0283563,-4.13,C12(c3c(cccc3)C(=NN1c4ccccc4)c(cc5)ccc5C(C)(C)C)SC(=NN2c6ccccc6)C(OCC)=O,0.0
70055,CO-ADD:0278365,-4.13,c12c(nnc(SCC(=O)Nc3sc4c(ccc(OC)c4)n3)n1)c5c(cccc5)n2CCc6ccccc6,0.0
70056,CO-ADD:0279084,-4.13,[N+](=O)([O-])c1cc(N)cc(Oc(cc2)ccc2F)c1,0.0
70057,CO-ADD:0278406,-4.13,c(nc(c1ccco1)cc2C(F)(F)F)(c3Br)n2nc3C(=O)N4CCCC4,0.0
70058,CO-ADD:0259194,-4.13,N1(c2ccccc2)C(C(SC1=S)(C)C)\[N+](\[O-])=C\c(cccc3[N+](=O)[O-])c3,0.0
70059,CO-ADD:0259210,-4.13,c(c1c2ccccc2)(C3c(cccc4[N+](=O)[O-])c4)c([nH]n1)OC(N)=C3C#N,0.0
70060,CO-ADD:0259821,-4.13,C1(C(OC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCCC,0.0
70061,CO-ADD:0260037,-4.13,S(c1ccccc1)(=O)(=O)N(c2cccc(C)c2)CC(=O)N(CC3)CCN3c4ccccc4OC,0.0
70062,CO-ADD:0254025,-4.13,S(=O)(=O)(c1ccc(cc1)F)Nc(cc2)ccc2c(cc3)ccc3[N+](=O)[O-],0.0
70063,CO-ADD:0250203,-4.13,c1(SCc(cc2)ccc2C(C)(C)C)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
70065,CO-ADD:0253504,-4.14,N(C(=O)\C(\S1)=C/c(ccc(c2OC)OC)c2)=C1N3CCCCCC3,0.0
70066,CO-ADD:0250356,-4.14,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)NC2CCCC2,0.0
70067,CO-ADD:0250428,-4.14,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4OC)OCc5c(cccc5F)Cl)c4)\C1=O,0.0
70068,CO-ADD:0250055,-4.14,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1\N=C\c(ccc(c3OC)OC)c3,0.0
70069,CO-ADD:0255503,-4.14,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCc(cc3)ccc3S(N)(=O)=O,0.0
70070,CO-ADD:0256183,-4.14,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc4c5ccc(cc5[N+](=O)[O-])Cl)o4)\C1=O,0.0
70071,CO-ADD:0256119,-4.14,c1(non2)c2nc(Nc(cc3)ccc3I)c(N\N=C\c(cc4)ccc4OC)n1,0.0
70072,CO-ADD:0250678,-4.14,N1c(ccc(c2)C)c2C3C(CC=C3)C1c4ccc(cc4)\N=C\c(cccc5[N+](=O)[O-])c5,0.0
70073,CO-ADD:0256698,-4.14,n1c(c2ccc(cc2)OC)[nH]c(c3ccccc3)c1c(ccc(c45)c(c6C4=O)cccc6)c5,0.0
70074,CO-ADD:0257145,-4.14,N(C(=O)COC(CSc1oc(c2n1)cccc2)=O)(c3c4cccc3)c5c(S4)cccc5,0.0
70075,CO-ADD:0255474,-4.14,C12(C)C(C)(CCC1C(C)=C)OC(=O)N2N(C)C,0.0
70076,CO-ADD:0255304,-4.14,c1(C(OCC)=O)sc2c(c(C)cc(C)n2)c1N,0.0
70077,CO-ADD:0253515,-4.14,C(C(OCC)=O)(=C(C)N1C2=NCC1)S2.Br,0.0
70078,CO-ADD:0256534,-4.14,c(CC(NC(OCc1ccccc1)=O)C(=O)Nc2cccc(C)c2)(c3c([nH]4)cccc3)c4,0.0
70079,CO-ADD:0256705,-4.14,c1(c(SC(=O)S1)c(C#N)c(c23)SC(=O)S2)n3,0.0
70080,CO-ADD:0253067,-4.14,C(/C=N/Nc1ccccc1)(=N/Nc2ccccc2)\C(=O)c3cccs3,0.0
70081,CO-ADD:0253065,-4.14,c1(cc(cccc2)c2n3)c3c4c(cccc4)C1=O,0.0
70082,CO-ADD:0254889,-4.14,n(Cc1ccc(cc1Cl)Cl)(c2c(c3\C=N\NC(=O)c4nonc4N)cccc2)c3,0.0
70083,CO-ADD:0252602,-4.15,c1(O)c(cc(cc1C(C)(C)C)SCCC#N)C(C)(C)C,0.0
70084,CO-ADD:0252428,-4.15,S(=O)(=O)(c1ccc(cc1)\N=C\c2cccc(Cl)c2)Nc3ccccn3,0.0
70085,CO-ADD:0253093,-4.15,C(OCCCCCCCC)(=O)c1ccc(cc1)NC(CCC(=O)OCC(=O)c2ccc(cc2)Br)=O,0.0
70086,CO-ADD:0254400,-4.15,N1(C(=O)Nc(ccc(c2Cl)Cl)c2)\C(\SCCC1)=N\c3ccccc3,0.0
70087,CO-ADD:0248922,-4.15,N1(c(cc2)ccc2C(=O)NCc3ccccc3)C(=O)c(c4C1=O)cccc4,0.0
70088,CO-ADD:0252774,-4.15,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(cc4)ccc4OCCCCCCCC,0.0
70089,CO-ADD:0247495,-4.15,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c4ccc(cc4Cl)Cl)C2,0.0
70090,CO-ADD:0252864,-4.15,n(c1C)(nnc1C(=O)N\N=C(/C)\C=C\c2ccccc2)c3nonc3N,0.0
70091,CO-ADD:0254540,-4.15,C(=C\c(ccc(c1OC)OC)c1)(/C=C(O2)c3ccc(cc3)C)\C2=O,0.0
70092,CO-ADD:0248916,-4.15,C(=O)(c1cccc(Br)c1)Nc(ccc(c2C)I)c2,0.0
70093,CO-ADD:0248085,-4.15,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
70094,CO-ADD:0252998,-4.15,N1(CC(=O)Nc2sc(c(C)c2C(OCC)=O)C(OCC)=O)C(=O)c3c(cccc3)C1=O,0.0
70095,CO-ADD:0249302,-4.15,C1(c2cc(C)ccc2C)=C\C(\C(=O)O1)=C\c3c(OC)ccc(cccc4)c34,0.0
70096,CO-ADD:0252249,-4.15,N1(c2ccccc2c3ccccc3)C(=O)c(c4C1=O)ccc(c4)C(O5)=Nc(c6C5=O)ccc(I)c6,0.0
70097,CO-ADD:0254991,-4.15,c1(SCC(=O)Nc(ccc(c2s3)nc3SC)c2)sc4c(ccc(c4)\N=C\c5c6c(cccc6)cc(cccc7)c57)n1,0.0
70098,CO-ADD:0249086,-4.15,C(C(OCC)=O)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c5cccc(c5)[N+](=O)[O-],0.0
70099,CO-ADD:0279172,-4.15,N(c1ccccc1OCC)C(CCC(OC(C)C)=O)=O,0.0
70100,CO-ADD:0278956,-4.15,C(C(OCC)=O)(C(F)(F)F)(P(C)(=O)OC(C)C)NS(c1ccccc1)(=O)=O,0.0
70101,CO-ADD:0279167,-4.15,S(=O)(=O)(c1ccc(cc1)C)N(CCO)c2ccccc2,0.0
70102,CO-ADD:0278999,-4.15,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c(cc4)ccc4F)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70103,CO-ADD:0283561,-4.15,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(CSc4nnc(C)s4)=O)n1,0.0
70104,CO-ADD:0278681,-4.15,N1(CN(CC2)CCN2C(OCC)=O)c(cccc3)c3\C(=N\c(cc4)ccc4C)\C1=O,0.0
70105,CO-ADD:0278430,-4.15,c1(SCC(O)=O)[nH]c(c(c2)n1)ccc2[N+](=O)[O-],0.0
70106,CO-ADD:0277449,-4.16,C(C)(C(F)(F)F)(C(F)(F)F)C(=O)Nc(cc1)ccc1C(C)=O,0.0
70107,CO-ADD:0278428,-4.16,N1(CC(C)C)\C(=N\c(cccc2C(F)(F)F)c2)\SC=C1c(cc3)ccc3c4ccccc4.Br,0.0
70108,CO-ADD:0283524,-4.16,N12C(S\C(=C\c(ccc(c3OCC)O)c3)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cccc(cccc5)c45,0.0
70109,CO-ADD:0283701,-4.16,N1(c2ccccc2Cl)C(=O)C=CC1=O,0.0
70110,CO-ADD:0278677,-4.16,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c(cc3)ccc3C4CCCCC4)\N2CCc(cc5)ccc5OC.Br,0.0
70111,CO-ADD:0260005,-4.16,c1(cc(ccc1Oc2ccccc2C(=O)Nc(cccc3C(F)(F)F)c3)C(F)(F)F)[N+](=O)[O-],0.0
70112,CO-ADD:0260109,-4.16,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c3ccccc3)\N2CC(C)C)N4CCCC4.Br,0.0
70113,CO-ADD:0259422,-4.16,c12c(nnc(SCCN(CC3)CCO3)n1)c4c(cccc4)n2Cc5ccccc5,0.0
70114,CO-ADD:0277587,-4.16,C(=S)(N(CC1)CCO1)c(cc2OC)cc(c2OC(CCc3ccccc3)=O)OC,0.0
70115,CO-ADD:0277301,-4.16,N1(Cc2ccco2)\C(=N\c(cc3)ccc3F)\SC=C1c4cc(C)ccc4C.Br,0.0
70116,CO-ADD:0259801,-4.16,C1(C(OCCC#N)=O)=C(C)NC(NC1c2cccc(Oc3ccccc3)c2)=O,0.0
70117,CO-ADD:0254027,-4.16,N1(c(cc2)ccc2C(OCC)=O)C(c3ccc(cc3)C)Nc(c4C1=O)cccc4,0.0
70118,CO-ADD:0256016,-4.16,C1(c(cccc2NC(=O)C(C)(C)C)c2)=Nc(c3C(=O)O1)cccc3,0.0
70119,CO-ADD:0255377,-4.16,C(F)(F)(F)c(cc(cc1C(F)(F)F)C(NCCOc(cc2)ccc2OC)=O)c1,0.0
70120,CO-ADD:0250493,-4.16,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c(cc(n2c3ccccc3)C)c2C,0.0
70121,CO-ADD:0250470,-4.16,C(=S)(NC(C)(C)CC1(C)c2ccc(cc2OC(c3ccccc3)=O)OC(c4ccccc4)=O)N1c5ccccc5,0.0
70122,CO-ADD:0253427,-4.16,c1(sc(c2n1)cccc2)Sc3ccc(\C=N\n(c4)cnn4)o3,0.0
70123,CO-ADD:0255889,-4.16,c1(ccccc1O)C(NCCOc2ccccc2)=O,0.0
70124,CO-ADD:0253769,-4.16,C(C#N)(=C(c1ccc(c(OC)c1)OC)N=C(N2C)SC)C2=O,0.0
70125,CO-ADD:0253508,-4.16,c1(N(CC2)CCN2c3cccc(Cl)c3)nc(Cl)nc(Nc(cc4)ccc4Br)n1,0.0
70126,CO-ADD:0253944,-4.16,c1(N\N=C\c2cc(OC)ccc2O)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
70127,CO-ADD:0256174,-4.16,N(\C(=C/c(cc1)ccc1OC(c2ccccc2)=O)\C(O3)=O)=C3c4ccc(cc4)C,0.0
70128,CO-ADD:0255518,-4.16,c(CC(NC(OCc1ccccc1)=O)C(=O)Nc2cccc(C)c2C)(c3c([nH]4)cccc3)c4,0.0
70129,CO-ADD:0256453,-4.16,n1(Cc2ccccc2)c(N)cc(c3ccc(cc3)Br)n1,0.0
70130,CO-ADD:0255283,-4.16,N1(c2ccc(cc2)Oc3ccccc3)C(=O)c4c(N=C1c(cc5)ccc5[N+](=O)[O-])cccc4,0.0
70131,CO-ADD:0253381,-4.16,c12c(c3c(NC(\C(\C)=C\c4ccccc4)O1)cccc3)nnc(SCCC)n2,0.0
70132,CO-ADD:0253562,-4.17,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc(n4c5ccc(c(Cl)c5)Cl)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70133,CO-ADD:0247987,-4.17,N1(c2c(N3)cccc2)C3=NC(C)=[NH+][B-]1(CCC)CCC,0.0
70134,CO-ADD:0252259,-4.17,N1(C(C(C)C)=O)C(O)(c(cc2)ccn2)CC(C(F)(F)F)=N1,0.0
70136,CO-ADD:0248142,-4.17,c12c(nnc(SCC(=O)Nc3sccn3)n1)c4c(cccc4)n2CC=C,0.0
70137,CO-ADD:0255234,-4.17,N1(c2cccc(OCC)c2)C(=O)C(CC1=O)S\C(\NCCc(ccc(c3OC)OC)c3)=N\c4ccccc4,0.0
70138,CO-ADD:0255203,-4.17,C(C(OC)=O)(C1c2ccc(cc2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
70139,CO-ADD:0254485,-4.17,P(c1ccccc1)(c2ccccc2)(c3ccccc3)=Cc4cc(cc(c5ccc[se]5)n4)c6cccs6,0.0
70140,CO-ADD:0252257,-4.17,N1(C(c(cc2)ccn2)=O)N=C(CC1(O)c(cccn3)c3)C(F)(F)F,0.0
70141,CO-ADD:0247786,-4.17,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c(cc2)ccc2C(O)=O,0.0
70142,CO-ADD:0248051,-4.17,N1(CCCc(cccc2)c12)C(=O)c3cccc(c3C)[N+](=O)[O-],0.0
70143,CO-ADD:0249540,-4.17,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
70144,CO-ADD:0249133,-4.17,[N+](=O)([O-])c(cc1)ccc1C(=O)CSC(=S)N2CCCCC2,0.0
70145,CO-ADD:0247439,-4.17,c(c1c2cccc1)(c3c(n2)cccc3)N(CC4)CCN4C,0.0
70146,CO-ADD:0254385,-4.17,C12(c3c(C(c4ccccc4)(c5ccccc5)N1c6ccccc6)cccc3)SC(=NN2c7ccccc7)C(OCC)=O,0.0
70147,CO-ADD:0252557,-4.17,C(/C1)(=C/c(cc2)ccc2OC)\C(=O)\C(\C1)=C\c(cc3)ccc3OC,0.0
70148,CO-ADD:0247501,-4.17,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c(cc4)ccc4\C=N\NC(=O)c5ccc(cc5)CN(CCc(c67)cccc6)C7)C2,0.0
70149,CO-ADD:0252620,-4.18,N1(\N=C\c(c(C)nn2c3ccccc3)c2Cl)C(C)=Nc(c4C1=O)cccc4,0.0
70150,CO-ADD:0254910,-4.18,c1(non2)c2nc(Nc3cccc(C)c3C)c(N\N=C\c(ccc4c(cc5)cc(c5[N+](=O)[O-])C)o4)n1,0.0
70151,CO-ADD:0252976,-4.18,n1(nc(s2)SCCSC3CCCCC3)c2nnc1SCCSC4CCCCC4,0.0
70152,CO-ADD:0137590,-4.18,CN1C=C(NC(C2=CC(NC(C3=CN=C(/C=C/C4=CC=C(OC)C=C4)C=C3)=O)=CN2C)=O)C=C1C(NCCN5CCC(OCCOC)CC5)=O,0.0
70153,CO-ADD:0279179,-4.18,c1(\N=C\c(ccc2c3cccc(Cl)c3)o2)c(c4ccc(c(OC)c4)O)nc(cccc5)n15,0.0
70154,CO-ADD:0283333,-4.18,c1(\C=N\NC(=O)c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2)cc(sc1OC)SC,0.0
70155,CO-ADD:0283359,-4.18,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(CCBr)c1CNC(C)=O,0.0
70156,CO-ADD:0284733,-4.18,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3OC)cc(c3O)I)\N2C4CCCC4,0.0
70157,CO-ADD:0284798,-4.18,c1(\N=C/c(ccc2c3ccc(cc3Br)[N+](=O)[O-])o2)sc(c4c1C(=O)NCc5ccccc5)CCCC4,0.0
70158,CO-ADD:0278701,-4.18,C(=O)(Nc1ccccc1OC)CC(=O)Nc2ccccc2OC,0.0
70159,CO-ADD:0283415,-4.18,N1(Cc2cccc(cccc3)c23)c(cccc4)c4\C(=N\c(cc5)ccc5C)\C1=O,0.0
70160,CO-ADD:0283711,-4.18,[N+](=O)([O-])c1cc(N)ccc1C(O)=O,0.0
70161,CO-ADD:0283479,-4.18,C(C)(C1CCCCCCCCCCC1)=O,0.0
70162,CO-ADD:0283767,-4.18,N(CCN1C(c2ccccc2)=O)(C1c(cc3)ccc3N(CC)CC)S(=O)(=O)c4ccc(cc4)C,0.0
70163,CO-ADD:0284702,-4.18,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
70164,CO-ADD:0259764,-4.18,c1(SCC(=O)Nc(c2)cc(cc2C(F)(F)F)C(F)(F)F)oc(c3n1)cccc3,0.0
70165,CO-ADD:0259429,-4.18,c1(N(CC2)CCO2)nc(NCC)nc(NC(C)(C)C)n1,0.0
70166,CO-ADD:0259742,-4.18,c1(NC(=O)C(CC)OC(=O)\C=C\c2ccco2)sc(c3c1C(OCC)=O)CCCC3,0.0
70167,CO-ADD:0284826,-4.18,C(Oc(cc1)ccc1F)(C(OC)=O)(C(F)(F)F)NC(=O)Nc2sc(c3c2C#N)CCCC3,0.0
70168,CO-ADD:0258895,-4.18,c12c(c3c(cccc3)[nH]1)nnc(SC\C=C\c4ccccc4)n2,0.0
70169,CO-ADD:0258897,-4.18,C(O)(=O)c1ccc(cc1)CSc2ccccn2,0.0
70170,CO-ADD:0283491,-4.18,N1C(C)(C)CC(CC1(C)C)CCO,0.0
70171,CO-ADD:0258927,-4.18,N1(CC(CC1C(=O)OCC(=O)c(cc2)ccc2c3ccccc3)O)C(=O)Oc4ccccc4,0.0
70172,CO-ADD:0258881,-4.18,N(C(=O)\C(\S1)=C\c2cccc(Br)c2)=C1N3CCCCCC3,0.0
70173,CO-ADD:0258921,-4.18,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(c4c3)cccc4)\N2CCc(ccc(c5OC)OC)c5.Br,0.0
70174,CO-ADD:0257576,-4.18,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(NCCOc2ccccc2C)=O,0.0
70175,CO-ADD:0257336,-4.18,C1(=NCC(=O)N1)Nc2nc(ccc(c3)OC)c3c(C)n2,0.0
70176,CO-ADD:0259915,-4.18,c1(SCC(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(N)c3)n1,0.0
70177,CO-ADD:0258999,-4.18,N1\C(=N\N=C\c2ccccc2)\SCC1=O,0.0
70178,CO-ADD:0257525,-4.18,C(=N/c1ccccc1)(/SC=C2c(cc3)ccc3c4ccccc4)\N2CCc5ccccc5.Br,0.0
70179,CO-ADD:0284361,-4.18,c1(nc(c2cccs2)cc3C(F)(F)F)n3nc(C(=O)NC(C)C4CC(CC45)CC5)c1Br,0.0
70180,CO-ADD:0259546,-4.18,C1(C(OCCOC(C)C)=O)=C(C)NC(=O)NC1c(cc2)ccc2N(CC)CC,0.0
70181,CO-ADD:0291099,-4.18,c1(c(C)nn(c2ccccc2)c1O)C(c3cccc(O)c3)c4c(C)nn(c5ccccc5)c4O,0.0
70182,CO-ADD:0291052,-4.18,n1(cnc(cc(C)c(C)c2)c12)S(=O)(=O)c3ccc(cc3)CC,0.0
70183,CO-ADD:0291121,-4.18,C1(c2cccc(OC)c2)(c3cccc(OC)c3)CC1C(=O)Nc(c(C)ccc4[N+](=O)[O-])c4,0.0
70184,CO-ADD:0287887,-4.18,C1(=Cc2c(OC1=O)cccc2)c(csc3\C(\C#N)=C(\CC4)/CCC4c5ccccc5)n3,0.0
70185,CO-ADD:0286268,-4.19,N1(C(CSC1c2ccc(cc2)Cl)C(N3c(cccc4C(F)(F)F)c4)=O)C3=S,0.0
70186,CO-ADD:0286396,-4.19,C(C#N)(C(CC(N1)=O)c(cc2OC)cc(c2O)Br)=C1SCC(N)=O,0.0
70187,CO-ADD:0286646,-4.19,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c3cccs3,0.0
70188,CO-ADD:0286341,-4.19,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3OC)cc(c3OC4=O)S4,0.0
70189,CO-ADD:0286718,-4.19,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCOc(cc3)ccc3OC)c1C,0.0
70190,CO-ADD:0285135,-4.19,N1(c2ccc(c(C)c2)C)C(=O)\C(\SC1=N)=C\c(cc3)ccc3OC,0.0
70191,CO-ADD:0287990,-4.19,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(O)c3)OC,0.0
70192,CO-ADD:0287876,-4.19,C(=C/c1cccc(c1)OCc2ccccc2F)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
70193,CO-ADD:0287558,-4.19,c1(ccccc1NC(=O)c2ccco2)C(O)=O,0.0
70194,CO-ADD:0287807,-4.19,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2F)F,0.0
70195,CO-ADD:0290993,-4.19,n1(c2ccccc2)nnnc1SCCOc(ccc(c3C)C)c3,0.0
70196,CO-ADD:0288025,-4.19,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Nc(cccc3[N+](=O)[O-])c3)n1c4cccc(c4)[N+](=O)[O-],0.0
70197,CO-ADD:0288050,-4.19,C1(C(OCC)=O)=C(N)Oc(ccc(cccc2)c23)c3C1c4ccccc4OC,0.0
70198,CO-ADD:0285851,-4.19,C(/c(cc(OC)cc1)c12)(\C(=S)C(N2C(CCCC)=O)(C)C)=C(\S3)/SC(=C3C(OCC)=O)C(OCC)=O,0.0
70199,CO-ADD:0285688,-4.19,c1(cc(F)c(cc1[N+](=O)[O-])F)C(=O)N(CC2)CCN2c(cc3C)c(F)cc3[N+](=O)[O-],0.0
70200,CO-ADD:0285227,-4.19,n1c(c(cccc2[N+](=O)[O-])c2)[nH]c(c3ccccc3)c1c4ccc(cc4)Oc5ccccc5,0.0
70201,CO-ADD:0284996,-4.19,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4)ccc4C(OC)=O)cccc3,0.0
70203,CO-ADD:0299789,-4.19,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c(cc3OC)cc(c3OC)OC)\C1=O)=O,0.0
70204,CO-ADD:0285598,-4.19,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
70205,CO-ADD:0299743,-4.2,c1(Sc(cc2)ncc2[N+](=O)[O-])nnc(c3ccc(cc3)Cl)n1c4ccccc4,0.0
70206,CO-ADD:0286089,-4.2,N1(CC(C)C)C(=O)c(c2C1=O)ccc(c2)C(=O)Nc3ccccc3C(O)=O,0.0
70207,CO-ADD:0299569,-4.2,c(CC(C(O)=O)NC(=O)c1ccc(C)o1)(c2c([nH]3)cccc2)c3,0.0
70208,CO-ADD:0294413,-4.2,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Oc4ccccc4)cc5[N+](=O)[O-])c5)c1Cl,0.0
70209,CO-ADD:0294767,-4.2,c1(NCn2c3c(nn2)cccc3)nonc1NCn4c5c(nn4)cccc5,0.0
70210,CO-ADD:0294268,-4.2,C1(=O)Nc(c2C1C=O)cccc2,0.0
70211,CO-ADD:0295192,-4.2,c1(nc(c2ccccc2)c(n3)c4ccccc4)n3c(c(c5ccccc5)n1)CCCCCC,0.0
70212,CO-ADD:0294080,-4.2,c1(NC(=O)C(C)Oc(cc2)ccc2CCC)sc(c3c1C#N)CCCCC3,0.0
70213,CO-ADD:0294290,-4.2,c12c(c(c(C)s1)C)c(nc(SCC(=O)c3ccc(cc3)CC)n2)O,0.0
70214,CO-ADD:0284595,-4.2,C(c1ccccc1)(=O)NC(CCSC)C(=O)OCC(=O)Nc(cc2)ccc2OC,0.0
70215,CO-ADD:0284580,-4.2,S(=O)(=O)(c1cccc(c1)C(O)=O)N2CC(C)OC(C)C2,0.0
70216,CO-ADD:0284285,-4.2,c1(ccn(C(=O)c2ccc(cc2)C)n1)[N+](=O)[O-],0.0
70217,CO-ADD:0283829,-4.2,c(S(N)(=O)=O)(nn(c12)c(C)c(c(C)n1)C)n2,0.0
70218,CO-ADD:0284589,-4.2,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c3cccc(Cl)c3)\N2CCO)N(CC4)CCO4.Br,0.0
70219,CO-ADD:0284310,-4.21,c1(N\N=C(/c2ccc(cc2)OC)\N=Nc(cc3)ccc3OC)sc(c4n1)cccc4,0.0
70220,CO-ADD:0258046,-4.21,C(=C\c(cc1)ccc1OCCCCC)(/C(c2ccccc2)=NN3c(cc4)ccc4[N+](=O)[O-])\C3=O,0.0
70221,CO-ADD:0258955,-4.21,N1(c2ccc(c(C)c2)C)C(=O)c3c(N=C1c4ccccc4F)cccc3,0.0
70222,CO-ADD:0257977,-4.21,c1(O)c(cc(cc1C(C)(C)C)CCC(=O)N\N=C\c2ccccc2)C(C)(C)C,0.0
70223,CO-ADD:0257817,-4.21,C1(C(=O)OCC2CCCO2)=C(C)NC(=O)NC1c3ccc(cc3)O,0.0
70224,CO-ADD:0257410,-4.21,n1(Cc2ccccc2)c3c(c(CCCC4)c14)cc(OC)cc3,0.0
70225,CO-ADD:0278603,-4.21,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cc3OC)cc(c3OC)OC)c4sc(c5c4C#N)CCCC5,0.0
70226,CO-ADD:0278182,-4.21,C(C(=O)OC(C)C)(C1c2ccccn2)=C(C)NC(CC(c3ccccc3)CC4=O)=C14,0.0
70227,CO-ADD:0258056,-4.21,N1(CCc2ccccc2)C(=O)C(CC1=O)NCCc(ccc(c3OC)OC)c3,0.0
70228,CO-ADD:0259685,-4.21,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)C2C3CCCC2C3c4ccccc4,0.0
70229,CO-ADD:0258293,-4.21,n1c(c2ccc(c(OC)c2)OC)[nH]c(c(cc3)ccc3c4ccccc4)c1c(cc5)ccc5c6ccccc6,0.0
70230,CO-ADD:0257991,-4.21,c12c(nnc(SCC(=O)NC(CC(C)C)C(OC)=O)n1)c3c(cccc3)n2CCC,0.0
70231,CO-ADD:0278929,-4.21,C1(NC(CSc2nnc(C)s2)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
70232,CO-ADD:0283402,-4.21,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccc(cc3)OCC)=C/c4cccs4,0.0
70233,CO-ADD:0283786,-4.21,n1nc(c2n1OCC(=O)Nc(cc3)ccc3S(N)(=O)=O)ccc(c2)[N+](=O)[O-],0.0
70234,CO-ADD:0290362,-4.21,n(c1ccc(cc1)F)(c2C)c(C)cc2\C=C(/C#N)\C(=O)NC3CCCCC3,0.0
70235,CO-ADD:0286726,-4.21,n(c(O)c(CCC[Si](C)(C)C)c(n1)O)c1SC,0.0
70236,CO-ADD:0286270,-4.21,c1(NC(CSc2ncccn2)=O)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
70237,CO-ADD:0286318,-4.21,c1(NC(=O)c2ccccc2Cl)sc(c3c1C(=O)NCc4ccco4)CC(CC3)C,0.0
70238,CO-ADD:0286567,-4.21,S(=O)(=O)(N(CC1)CCO1)c2c(F)ccc(C(OC)=O)c2,0.0
70239,CO-ADD:0290925,-4.21,C12(c3c(N(Cc4c(cccc4Cl)Cl)C1=O)cccc3)Nc5c(C(=O)N2CCc6ccccc6)c7c(CCCC7)s5,0.0
70240,CO-ADD:0299435,-4.21,S(=O)(=O)(c(cc1)ccc1C(O)=O)N(CC(C)C)CC(C)C,0.0
70241,CO-ADD:0299283,-4.21,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCCc3ccccc3F,0.0
70242,CO-ADD:0291240,-4.21,C(/c(cc(C)cc1)c12)(\C(=S)C(N2C)(C)C)=C(/SC(=C3C(OCC)=O)c4ccccc4)\S3,0.0
70243,CO-ADD:0291145,-4.22,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c3ccc(cc3)OC(c4ccccc4)=O,0.0
70244,CO-ADD:0299399,-4.22,N1(c2cccc(c2)C(=O)Nc(cc3)ccc3C(OCC)=O)C(=O)c(c4C1=O)cccc4,0.0
70245,CO-ADD:0288011,-4.22,C(/C(/C1)=N/O)(=N/NC(c2ccccc2)=O)\c3c(C1)non3,0.0
70246,CO-ADD:0299624,-4.22,C(=O)(c(cc1)ccc1C#CC(C)(C)O)Nc(cc2)ccc2OC(F)(F)F,0.0
70247,CO-ADD:0285243,-4.22,c1(c(C)onc1c2ccccc2Cl)C(=O)N(CC3)CCN3c4ccc(cc4[N+](=O)[O-])Cl,0.0
70248,CO-ADD:0299593,-4.22,N(CC1)(CCO1)C(=O)COc(cc2)ccc2NC(=O)\C=C\c3ccco3,0.0
70249,CO-ADD:0286835,-4.22,N1(NC(=O)c2ccc(cc2)C)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
70250,CO-ADD:0285068,-4.22,C(/N1)(\c2c(CC13CCCC3)cc(OC)c(OC)c2)=C/C(OCC)=O,0.0
70251,CO-ADD:0285108,-4.22,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)Cl)n(c(c3)c1S(CCC)(=O)=O)ccn3,0.0
70252,CO-ADD:0286853,-4.22,c1(NC(=O)C(F)(F)F)sc(c(CCN2C(OCC)=O)c1C(OCC)=O)C2,0.0
70253,CO-ADD:0291406,-4.22,n1(cnc(cc(C)c(C)c2)c12)C(=O)c3ccco3,0.0
70254,CO-ADD:0293835,-4.22,C12=C(COC1=O)Nc(c3SC2c4ccc(cc4)F)cccc3,0.0
70255,CO-ADD:0292795,-4.22,C1(c2ccccc2F)=N\C(\C(=O)O1)=C/c(cc3)ccc3OCc(cc4)ccc4Cl,0.0
70256,CO-ADD:0296079,-4.22,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4c(cccc4F)F)cc(c(C)c3)C,0.0
70257,CO-ADD:0295504,-4.22,c1(cc(ccc1N(CC2)CCO2)[N+](=O)[O-])C(=O)Nc3ccccc3OCC,0.0
70258,CO-ADD:0295992,-4.22,n(c(C)nn1)([nH]c(n2)c3ccc(cc3OC)OC)c12,0.0
70259,CO-ADD:0293465,-4.22,c1(NC(CSc2c(C#N)cc(c(N)n2)C#N)=O)sc(c3c1C#N)CCCC3,0.0
70260,CO-ADD:0283086,-4.22,c1(n(ccn2)c2)nnnn1c3ccccc3,0.0
70261,CO-ADD:0284599,-4.22,c12c(nnc(SCC(=O)Nc3nnc(CCC)s3)n1)c4c(cccc4)n2CCC,0.0
70262,CO-ADD:0283646,-4.23,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cccn3)c3)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
70263,CO-ADD:0283262,-4.23,c1(ccccc1NC(=O)c(cc2OC)cc(c2OC)OC)C(OCC)=O,0.0
70264,CO-ADD:0277456,-4.23,c1(c2ccc(cc2OC)OC)[nH]c(c3n1)c4c(c5c3cc(I)cc5)cccc4,0.0
70265,CO-ADD:0258011,-4.23,C(=O)(Nc1ccccc1Br)c2ccccc2C(=O)c3[nH]ccn3,0.0
70266,CO-ADD:0257843,-4.23,C1(C(=O)OC(C)C)=C(C)NC(NC1c2ccccc2OC(C)C)=O,0.0
70267,CO-ADD:0257768,-4.23,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(cc4)ccc4OCc5cccc(cccc6)c56)\C1=O,0.0
70268,CO-ADD:0257800,-4.23,c1(non2)c2nc(Nc3cccc(C)c3C)c(N\N=C\c(ccc4c(ccc(c5[N+](=O)[O-])Cl)c5)o4)n1,0.0
70269,CO-ADD:0284515,-4.23,c(c(c1c(c2OC(c3ccccc3)=O)cccc1)on4)(c45)c2C(C=C5Oc6ccccc6)=O,0.0
70270,CO-ADD:0284935,-4.23,c1(Sc2ccc(\C=N\NC(=O)c3ccc(cc3)Cl)o2)sc4c(ccc(OCC)c4)n1,0.0
70271,CO-ADD:0284264,-4.23,c1(nnc(CCCCc(nnc2NC(=O)c3ccco3)s2)s1)NC(=O)c4ccco4,0.0
70272,CO-ADD:0278977,-4.23,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc(c3OCC)O)c3)\N2C4CCCCC4,0.0
70273,CO-ADD:0257282,-4.23,C(C(OCC)=O)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
70274,CO-ADD:0279083,-4.23,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2ccccc2[N+](=O)[O-],0.0
70275,CO-ADD:0259689,-4.23,N(=C(/C)\c1ccc(cc1)Cl)/NC(CSCc(cc2)ccc2OC)=O,0.0
70276,CO-ADD:0258759,-4.23,C1(C(OCC=C)=O)=C(C)NC(NC1c2cccc(Cl)c2)=O,0.0
70277,CO-ADD:0258383,-4.23,S(=O)(=O)(Nc(cc1)ccc1C(F)(F)F)c(c2)cc(c(F)c2C(C)(C)C)C(C)(C)C,0.0
70278,CO-ADD:0259701,-4.23,C12(C)c3c(cccc3)C(C(C14)C(=O)NN(c5ccccc5)C4=O)c(cccc6)c26,0.0
70279,CO-ADD:0257311,-4.23,[N+](=O)([O-])c1ccc(c(Cl)c1)NC(=O)c2ccccc2C,0.0
70280,CO-ADD:0259041,-4.23,n(c(cc(n1)OC)NC(CCCCCCC(=O)Nc2cc(OC)nc(OC)n2)=O)c1OC,0.0
70281,CO-ADD:0259888,-4.23,N(C(OC)CC(N1)(C)C)=C1SC.I,0.0
70282,CO-ADD:0260210,-4.23,C(=C\c(cc1)ccc1OCc2ccccc2Cl)(/C3=O)\Sc(c34)cccc4,0.0
70283,CO-ADD:0287147,-4.23,c(nn(c12)c(C)cc(C)n1)(S(=O)(=O)Nc3cccc(F)c3)n2,0.0
70284,CO-ADD:0287187,-4.23,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)N(CC)CC)C2c3cccs3,0.0
70285,CO-ADD:0288067,-4.23,[N+](=O)([O-])c(cccc1C2SCc3c(cc(c(C)c3)C)CS2)c1O,0.0
70286,CO-ADD:0288781,-4.23,C1(CC(CC2)NS(=O)(=O)c3cc(Cl)c(F)cc3)(O2)CCN(CC1)C(c(c4)oc([N+](=O)[O-])c4)=O,0.0
70287,CO-ADD:0288758,-4.23,c(c1C)nc(CC2CCN(CC2)C(c3oc([N+](=O)[O-])cc3)=O)n1CCOC,0.0
70288,CO-ADD:0288557,-4.23,n(CC(CC1)CCN1)(c(C)cn2)c2COC.Cl.Cl,0.0
70289,CO-ADD:0291169,-4.23,C(C(c1ccccc1)=O)(C2c3ccc(c(OC)c3)OC)=C(O)C(N2c4ccc(cc4)F)=O,0.0
70290,CO-ADD:0291274,-4.23,C(=O)(OC(C)(C)C#C)C1C(C(=O)OCC(Cl)=C)C(CC12)C=C2,0.0
70291,CO-ADD:0299446,-4.23,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCO3,0.0
70292,CO-ADD:0299270,-4.23,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCC3(O)c4ccc(cc4)Br)C1=O,0.0
70293,CO-ADD:0299503,-4.23,[N+](=O)([O-])c(ccc(c1\C=N\Nc2ccc(cc2F)Br)O)c1,0.0
70294,CO-ADD:0285868,-4.23,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc4c5ccc(cc5F)F)o4)\C1=O,0.0
70295,CO-ADD:0285845,-4.23,N1(C(=O)c2ccc(cc2)F)c3c(cccc3)C(CC1(C)C)(C)c4ccc(cc4)CC,0.0
70296,CO-ADD:0284952,-4.24,S1(=O)(=O)c(cccc2)c2C(N(C)CC(COc3cccc(cccc4)c34)OC(=O)c5ccc(cc5Cl)Cl)=N1,0.0
70297,CO-ADD:0287701,-4.24,c1(c(cccc1OC(=O)N(CC)CC)C2=O)C(=O)c(c23)cccc3OC(=O)N(CC)CC,0.0
70298,CO-ADD:0286682,-4.24,N1(c2ccc(cc2)Oc(cc3)ccc3C#N)C(=O)c(c4C1=O)ccc(c4)C(=O)OCC(=O)c5ccc(cc5)Cl,0.0
70299,CO-ADD:0286378,-4.24,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cccc(OC)c5)cccc4,0.0
70300,CO-ADD:0286695,-4.24,S(=O)(=O)(c1ccc(cc1)Oc(cc2)ccc2Br)Nc(ccc(c34)c5c(cccc5)o3)c4,0.0
70301,CO-ADD:0292101,-4.24,n1c2c(oc1c(ccc(c3NC(COc4ccc(cc4C)C)=O)C)c3)cccn2,0.0
70302,CO-ADD:0286273,-4.24,N1(CC(OCC)=O)\C(=N\c(cccc2C(F)(F)F)c2)\SC=C1c3ccc(cc3)CC.Br,0.0
70303,CO-ADD:0286385,-4.24,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5cccc(F)c5)cccc4,0.0
70304,CO-ADD:0286401,-4.24,[n+]1([O-])onc(CC\C(=N/O)\C2=O)c12,0.0
70305,CO-ADD:0286375,-4.24,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5cccs5)C6=C2CC(C)(C)CC6=O)C#N,0.0
70306,CO-ADD:0293453,-4.24,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccc(Cl)c1)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
70307,CO-ADD:0295450,-4.24,S(=O)(=O)(NC(c1ccccc1)C(O)=O)c2cccc(nsn3)c23,0.0
70308,CO-ADD:0293764,-4.24,c1(N)c(Cl)cc(cc1Cl)NC(=O)\C=C\C(O)=O,0.0
70309,CO-ADD:0296059,-4.24,c1([N+](=O)[O-])cc(non2)c2c(nn3)c1[nH]3,0.0
70310,CO-ADD:0296012,-4.24,C1(C2)(CC(CC=C1OCCCl)(CN2Cc3ccccc3)[N+](=O)[O-])[N+](=O)[O-],0.0
70311,CO-ADD:0294987,-4.24,n1c2c(CCCC2)cc(C#N)c1SCC(=O)N(CC)CC,0.0
70312,CO-ADD:0134100,-4.24,O=C(c1[nH]c([N+](=O)[O-])cn1)N(C)Cc2ccc(OC(F)F)cc2,0.0
70313,CO-ADD:0284225,-4.25,c1(NC(=O)c2ccnn2C)sc(c3c1C#N)CCC3,0.0
70314,CO-ADD:0278417,-4.25,N1(Cc2ccccc2)\C(=N\c(cccc3C(F)(F)F)c3)\SC=C1c4ccc(cc4)F.Br,0.0
70315,CO-ADD:0283076,-4.25,N1(C)C(=O)\C(\SC1=O)=C/c(cc(n2c3ccccc3)C)c2C,0.0
70316,CO-ADD:0284044,-4.25,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3cc(C)ccc3C)\N2CCc(ccc(c4OC)OC)c4.Br,0.0
70317,CO-ADD:0278492,-4.25,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(c(OC)c2)OC,0.0
70318,CO-ADD:0283173,-4.25,[N+](=O)([O-])\C(\C)=C/c(ccc(c1OC)OCCCCC)c1,0.0
70319,CO-ADD:0284539,-4.25,c1(c2cccc(cccc3)c23)[nH]c(c(c4ccc(cc4)Cl)n1)c5ccccc5,0.0
70320,CO-ADD:0284172,-4.25,C(C1CCCCC1)(=O)Nc(cccc2C(c3ccccc3)=O)c2,0.0
70321,CO-ADD:0283930,-4.25,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(NCCOc2cccc(cccc3)c23)=O,0.0
70322,CO-ADD:0259924,-4.25,C1(C(OCCCl)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC)=O,0.0
70323,CO-ADD:0257468,-4.25,N1(CN(CC2)CCN2Cc(ccc(c34)OCO3)c4)c(cccc5)c5\C(=N/c6ccccc6)\C1=O,0.0
70324,CO-ADD:0258953,-4.25,N1(CCc(ccc(c2OC)OC)c2)C(=O)CC(N(CC3)CCN3c4cccc(Cl)c4)C1=O,0.0
70325,CO-ADD:0259379,-4.25,c1(OC(N)=C(C2c3ccccc3I)C#N)c2c(n[nH]1)CCC,0.0
70326,CO-ADD:0259796,-4.25,C(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3F,0.0
70327,CO-ADD:0259436,-4.25,S(N)(=O)(=O)c1ccc(cc1)NC(=O)c(cc2)ccc2N3C(=O)CCC3=O,0.0
70328,CO-ADD:0283294,-4.25,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)S\C(\NCC)=N\Cc(ccc(c34)OCO3)c4,0.0
70329,CO-ADD:0284256,-4.25,n1(c2c(nn1)cccc2)c3ccc(cc3[N+](=O)[O-])C#N,0.0
70330,CO-ADD:0259845,-4.25,N1(C(C)(C)C)C(=O)c(c2C1=O)ccc(c2)C(=O)Nc(cc3)ccc3C(O)=O,0.0
70331,CO-ADD:0258448,-4.25,C(C(OC)=O)(C(c1ccc(cc1)Br)C2=C(N3c4ccccc4F)CC(C)(C)CC2=O)=C3N,0.0
70332,CO-ADD:0259033,-4.25,[n+]1(cccc(C)c1)CC(Br)C(O)=O.[Br-],0.0
70333,CO-ADD:0259870,-4.26,n12c(c3c(cccc3)CC1(C)C)nnc2c4cccs4,0.0
70334,CO-ADD:0259903,-4.26,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCc2ccccc2O)=O)N3CCCC3)c1,0.0
70335,CO-ADD:0277589,-4.26,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)c(OC)cc2C(=S)N3CCCCC3,0.0
70336,CO-ADD:0257448,-4.26,S(C)(=O)(=O)N(c1ccc(cc1)C)CC(NCCSc(cc2)ccc2Cl)=O,0.0
70337,CO-ADD:0258032,-4.26,N1(CCc(ccc(c2OC)OC)c2)C(=O)CC(NCc(ccc(c34)OCO3)c4)C1=O,0.0
70338,CO-ADD:0283556,-4.26,n1(Cc2ccccc2)c(cccc3)c3c(SC)c1CC(=O)Nc4ccc(cc4[N+](=O)[O-])Cl,0.0
70339,CO-ADD:0259868,-4.26,C(/c(cccc1)c1CC2(C)C)(=N/c(ccc(c3F)F)c3)\N2,0.0
70340,CO-ADD:0259666,-4.26,c1(C(OCC)=O)c2c(oc1CSc3nc(C)cc(C)c3C#N)ccc(OC(C)=O)c2,0.0
70341,CO-ADD:0287708,-4.26,C(=O)(c1c(cccc1F)F)Nc2sccn2,0.0
70342,CO-ADD:0287724,-4.26,c1(c(ccc(c1)C(F)(F)F)N\N=C(/C)\c2cccs2)[N+](=O)[O-],0.0
70343,CO-ADD:0287748,-4.26,c(c1c([nH]2)cccc1)(C3)c2CCN3C(=O)c4ccc(c5c4)cccc5,0.0
70344,CO-ADD:0287764,-4.26,c12c(ccc3c1OC(=O)C=C3C)O\C(=C/c4ccccc4)\C2=O,0.0
70345,CO-ADD:0287709,-4.26,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)S\C(\NC)=N/c(ccc(c3C(F)(F)F)Cl)c3,0.0
70346,CO-ADD:0286194,-4.26,c1(c(nc(N)c(C#N)c1c2ccc(c(OC)c2)OC)sc3C(=O)OCc4ccccc4)c3N,0.0
70347,CO-ADD:0300029,-4.27,C1(c2ccc(cc2)OC)=Cc3c(OC1=O)ccc(cccc4)c34,0.0
70348,CO-ADD:0286926,-4.27,n(nnc1C(=O)N\N=C(/C)\c2cccs2)(c1COC)c3nonc3N,0.0
70349,CO-ADD:0286487,-4.27,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(CC1=O)NCCc3ccccc3,0.0
70350,CO-ADD:0286121,-4.27,C(=N/c(cc1)ccc1Cl)(/SC=C2c(cc3)ccc3C4CCCCC4)\N2CC.Br,0.0
70351,CO-ADD:0299488,-4.27,N1(c2ccc(cc2)OC)C(c3ccc(cc3)Cl)CC(c4ccc(cc4)Cl)=N1,0.0
70352,CO-ADD:0291309,-4.27,c1(c2ccccc2c3nc(N)nc(N)n3)nc(N)nc(N)n1,0.0
70353,CO-ADD:0287203,-4.27,C(c1ccccc1)(=O)SCC(OCC(=O)Nc(cc2)ccc2C)=O,0.0
70354,CO-ADD:0287573,-4.27,c1(SCc(c(C)c2)cc(c2CSc3nnc[nH]3)C)nnc[nH]1,0.0
70355,CO-ADD:0287806,-4.27,c1(OC(N)=C([C@@H]2c3ccccc3[N+](=O)[O-])C#N)c2c([nH]n1)C,0.0
70356,CO-ADD:0287838,-4.27,n1c(SCC(C)=O)snc1SCC(C)=O,0.0
70357,CO-ADD:0286851,-4.27,c1(NC(Cc2ccccc2)=O)sc(c(CCN3C(OCC)=O)c1C(OCC)=O)C3,0.0
70358,CO-ADD:0286891,-4.27,n1(C)c(COc2ccccc2C)nnc1SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)Nc5ccccc5)c3,0.0
70359,CO-ADD:0291082,-4.28,C(/c1c2cccc1)(\c(cccn3)c23)=C(\C=C(O4)c5cc(C)ccc5C)/C4=O,0.0
70360,CO-ADD:0291106,-4.28,N1(C(C)(C)CC(c(cc(C)cc2)c12)(C)c3ccccc3)C(=O)CN(CC4)CCO4,0.0
70361,CO-ADD:0292005,-4.28,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(ccc3c4cc(Cl)ccc4Cl)o3)\C1=O)=O,0.0
70362,CO-ADD:0292061,-4.28,C(/SC(N1CC=C)=S)(\C1=O)=C(/Sc(c23)ccc(Cl)c2)\N3CC,0.0
70363,CO-ADD:0286440,-4.28,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3F)nc(Nc(cc4)ccc4F)n1.Cl,0.0
70364,CO-ADD:0286713,-4.28,n1(c(cc2)ccc2C(OC)=O)nnnc1SCC(=O)N(CC3)CCO3,0.0
70365,CO-ADD:0299467,-4.28,N1(c2ccc(c(Cl)c2)C)NC(=O)c(c3C1=O)cccc3,0.0
70366,CO-ADD:0285533,-4.28,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4OC)cc(c4OCC#N)Br)\C1=O,0.0
70367,CO-ADD:0299590,-4.28,C12(CC(CC3C1)CC(C3)C2)c(ccc(c4C(O)=O)O)c4,0.0
70368,CO-ADD:0293779,-4.28,n(\N=C\c1cccc(OCCOc2ccccc2)c1)(cnn3)c3,0.0
70369,CO-ADD:0294901,-4.28,[N+](=O)([O-])c1cc(Br)ccc1C2CC2,0.0
70370,CO-ADD:0293052,-4.28,n1c(c2ccccc2)csc1Nc(cccc3C(O)=O)c3,0.0
70371,CO-ADD:0295571,-4.28,S(=O)(=O)(Cc1ccccc1)c2cc(ccc2C(N)=O)[N+](=O)[O-],0.0
70372,CO-ADD:0295111,-4.28,C(=O)(NC(=O)Nc(ccc(c1Cl)Cl)c1)c2c(Cl)cc(nc2Cl)Cl,0.0
70373,CO-ADD:0295944,-4.28,c(OC(C(F)(F)F)C(F)(F)F)(nc(Nc(cc1)ccc1C(C)=O)nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
70374,CO-ADD:0135146,-4.28,Cc1nc(OCCO)c2n(cc([N+](=O)[O-])n2)c1,0.0
70375,CO-ADD:0135141,-4.28,Cc1nc(OCc2ccc(OC(F)(F)F)cc2)c3n(cc([N+](=O)[O-])n3)c1C,0.0
70376,CO-ADD:0278478,-4.28,c12c(c(nn1c3ccccc3)C)C(C(C#N)=C(N)O2)c(cc4OC)cc(c4OC)OC,0.0
70377,CO-ADD:0284063,-4.28,C1(c2cccc(OC)c2)(c3cccc(OC)c3)CC1C(=O)NCc4ccccc4,0.0
70378,CO-ADD:0283184,-4.28,Fc1ccc([N+]([O-])=O)cc1C(N2CCN(C(c3cc([N+]([O-])=O)ccc3F)=O)CC2)=O,0.0
70379,CO-ADD:0278535,-4.28,c1(C(=O)OCc2ccccc2)c(C)c([nH]c1C)C=O,0.0
70380,CO-ADD:0279079,-4.28,C1(C2c3ccco3)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
70381,CO-ADD:0277425,-4.28,n1(c2ccccc2)c(SCc3ccc(c4c3cccc4)F)nnc1c5cccc(F)c5,0.0
70382,CO-ADD:0257717,-4.28,C(=S)(c(ccc(c1OC(c2ccccc2)=O)OC)c1)N3CCCCC3,0.0
70383,CO-ADD:0257687,-4.29,N1(CC(=O)NCC(O)=O)C(=O)c(c2C1=O)ccc(C(O)=O)c2,0.0
70384,CO-ADD:0257743,-4.29,S(=O)(=O)(c1ccc(cc1)C)N(CC(=O)NCc(cc2)ccn2)c3c(OC)ccc(Cl)c3,0.0
70385,CO-ADD:0259178,-4.29,N1(C)C(=O)\C(\SC1=S)=C/c2cc(OC)ccc2O,0.0
70386,CO-ADD:0259156,-4.29,C1(C(F)(F)F)=Nc(cccc2)c2C(=O)N1c3ccccc3,0.0
70387,CO-ADD:0258780,-4.29,c1(NC(=O)CC2c3sccc3C)c2ccc(cccc4)c14,0.0
70388,CO-ADD:0258812,-4.29,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C\c(ccc3c4c(Cl)ccc(c4)[N+](=O)[O-])o3,0.0
70389,CO-ADD:0259204,-4.29,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c3ccc(cc3)F,0.0
70390,CO-ADD:0277646,-4.29,c1(SC(CC)C(=O)Nc2ccccc2C#N)nc(C)cc(C)n1,0.0
70391,CO-ADD:0259225,-4.29,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c(cccc2[N+](=O)[O-])c2,0.0
70392,CO-ADD:0279007,-4.29,C1=C(NCCCCCCCCCCCC)C2(OC1=O)CCCCC2,0.0
70393,CO-ADD:0258050,-4.29,c1(Oc(cc2)ccc2Cl)c(c3ccccc3)nc(Nc4ccccc4Cl)s1,0.0
70394,CO-ADD:0257339,-4.29,N1(c(ccc(c2C(=O)Nc(cccc3[N+](=O)[O-])c3)Cl)c2)C(=O)c(c4C1=O)cccc4,0.0
70395,CO-ADD:0258467,-4.29,N1(Cc2ccccc2)C(C)(O)C(OC1=O)(C)CC\C=C(/C)\C,0.0
70396,CO-ADD:0257734,-4.29,N1=C(Nc2ccccc2C)SC(CC)C1=O,0.0
70397,CO-ADD:0257595,-4.29,c1(Oc(cc2)ccc2Cl)c(c3ccccc3)nc(Nc(cc4)ccc4OCC)s1,0.0
70398,CO-ADD:0278275,-4.29,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)NC(=O)c6ccc(cc6)C)n1,0.0
70399,CO-ADD:0290367,-4.29,n12c(nc(cc1C(F)(F)F)c3ccccc3)cc(C(=O)NNC(=O)c4ccn(CC)n4)n2,0.0
70400,CO-ADD:0288717,-4.29,C1C(n(c2C)c(CCNC(=O)OC(C)(C)C)nc2)CCN(C1)C(OC(C)(C)C)=O,0.0
70401,CO-ADD:0289008,-4.29,c1(C(=O)Nc2ccccc2)sc(nn1)CCCC(O)=O,0.0
70402,CO-ADD:0288705,-4.29,N(CCC1Cn(c2C)c(C3OCCC3)nc2)CC1,0.0
70403,CO-ADD:0288740,-4.29,C1(CC(CC23)CC(C2)C1)(C3)CCn4c(c5cccnc5)ncc4C,0.0
70404,CO-ADD:0289113,-4.29,C(=O)(OC(C)(C)C)N1CCCC(COc(cccc2C(O)=O)c2)C1,0.0
70405,CO-ADD:0300071,-4.3,N1(c2ccccc2)C(=O)C(C(c(cc3)ccc3[N+](=O)[O-])C(C(=O)NC(N4c5ccccc5)=S)C4=O)C(NC1=S)=O,0.0
70406,CO-ADD:0288957,-4.3,N12C(=NCC1)c3c(Oc(nccn4)c24)cccc3,0.0
70407,CO-ADD:0285897,-4.3,C(=N\c(cc1)ccc1OC)(/SC(C(O)=O)CC2=O)\N2C,0.0
70408,CO-ADD:0287198,-4.3,c12c(c(ccc1[N+](=O)[O-])N)C(c(cccc3)c3C2=O)=O,0.0
70409,CO-ADD:0287470,-4.3,N1(C=C(C)C(NC1=O)=O)C2CC(C(COC(c3ccccc3)(c4ccccc4)c5ccc(cc5)OC)O2)N=[N+]=[N-],0.0
70410,CO-ADD:0291497,-4.3,c1(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3nc(C(=O)Nc4ccccc4SC)c1Cl,0.0
70411,CO-ADD:0287538,-4.3,C(C#N)(C(c(cccn1)c1)C2=C(N3c4ccc(cc4F)Br)CCCC2=O)=C3N,0.0
70412,CO-ADD:0287131,-4.3,N1(NC(C)=O)C(c2ccoc2)Nc(c3C1=O)cccc3,0.0
70413,CO-ADD:0287515,-4.3,N1=C(CNC(CSc2nnc[nH]2)=O)c(cccc3)c3C(=O)N1,0.0
70414,CO-ADD:0286124,-4.3,c(C(c1ccccc1)=O)(sc2c3c(ns2)SCCCC)c3N,0.0
70415,CO-ADD:0291750,-4.3,C(=O)(NNC(COc(cc1)ccc1Br)=O)c2cccs2,0.0
70416,CO-ADD:0291092,-4.3,C1(=C(CC(C)(C)CC1=O)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCc5ccccc5,0.0
70417,CO-ADD:0299294,-4.3,C1(c2ccccc2)=CSSC1=S,0.0
70418,CO-ADD:0285569,-4.3,n1(C)c(C)c(c(cc(c(c2c3)nc(C)c3C(OCC)=O)C)c12)C,0.0
70419,CO-ADD:0285572,-4.3,N1(CCC(c2ccccc2)c3ccccc3)Cc(cc(OC)c(c4)OC)c4C(O)C1(C)C.Cl,0.0
70420,CO-ADD:0285559,-4.3,C(OC)(=O)c1ccc(cc1)NC(COc(cc2)ccc2OC)=O,0.0
70421,CO-ADD:0293469,-4.3,N1c2c(N(C)C1=O)cc(Cl)c(Cl)n2,0.0
70422,CO-ADD:0292581,-4.3,c12c(occ1OC(C)=O)c(N=Nc(cc3)ccc3[N+](=O)[O-])cc4c2OC(=O)C=C4C,0.0
70423,CO-ADD:0292946,-4.3,[N+](=O)([O-])c(cc(N)cc1C(O)=O)c1,0.0
70424,CO-ADD:0293554,-4.31,C1(c2ccccc2)=C(\C=N\N=C(/SCC3=O)\N3)C(C=C4)CC14,0.0
70425,CO-ADD:0293202,-4.31,c1(c(C)nc2n1cccn2)c3csc(Nc(cccc4C(O)=O)c4)n3.Br,0.0
70426,CO-ADD:0295255,-4.31,c1(c(NCCCNS(C)(=O)=O)ccc(c1)[N+](=O)[O-])C(F)(F)F,0.0
70427,CO-ADD:0135140,-4.31,O=C1N(Cc2ccc(OC(F)(F)F)cc2)C(C)=C(C)n(c13)cc([N+](=O)[O-])n3,0.0
70428,CO-ADD:0283371,-4.31,c1(C(=O)c2ccc(cc2)F)coc(ccc(O)c3CN(C)C)c13,0.0
70429,CO-ADD:0284075,-4.31,S(=O)(=O)(c(cc1)ccc1c2csc(Nc3c(OC)cc(c(OC)c3)Cl)n2)N4CCCCC4.Br,0.0
70430,CO-ADD:0283070,-4.31,c(cc(I)cc1I)(\C=N\c2ccccc2)c1O,0.0
70431,CO-ADD:0278980,-4.31,N1(C(=O)c2ccc(cc2)Cl)C(O)(c3ccc(cc3)F)CC(C(F)(F)F)=N1,0.0
70432,CO-ADD:0279127,-4.31,S(=O)(=O)(c1ccc(cc1)Cl)Nc(ccc(c2C)O)c2,0.0
70433,CO-ADD:0278975,-4.31,[N+](=O)([O-])c(cc1)cc(c1C(=O)NNC(=O)c2cc(Cl)ccc2O)Cl,0.0
70434,CO-ADD:0284219,-4.31,c12c(cc(c(cc3)ccc3[N+](=O)[O-])s1)N=C(CCCCC4)N4C2=O,0.0
70435,CO-ADD:0283643,-4.31,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccccc3)c4sc(c5c4C(OC)=O)CCCCC5,0.0
70436,CO-ADD:0278907,-4.31,C1(N(CC2)CCO2)(C3CCCC1)Oc(c4C3c5c6c([nH]c5C)cccc6)ccc(c4)[N+](=O)[O-],0.0
70437,CO-ADD:0258941,-4.31,c(\C=N\NC(CCC(=O)Nc1cccc(C)c1)=O)(c2c([nH]3)cccc2)c3,0.0
70438,CO-ADD:0260059,-4.31,n1(c(C)cc(C)n1)C(=O)c2c(cccc2F)F,0.0
70439,CO-ADD:0260107,-4.31,N1(c2ccccc2)C(=O)C(CC1=O)SCCN.Cl,0.0
70440,CO-ADD:0259358,-4.31,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2cccc(OC)c2,0.0
70441,CO-ADD:0277315,-4.31,C(C)(C(F)(F)F)(C(F)(F)F)C(=O)Nc(cc1)ccc1OCCCC,0.0
70442,CO-ADD:0260055,-4.31,N1(c2ccccc2C#N)C(=O)C3C(C4CC3C=C4)C1=O,0.0
70443,CO-ADD:0278618,-4.31,n1(nnc(C(OC)=O)c1CSc2nnc(C)s2)c3nonc3N,0.0
70444,CO-ADD:0259575,-4.31,c1(SCCNC(=O)\C=C\c(cc2)ccc2OC)sc(c3n1)cccc3,0.0
70445,CO-ADD:0278791,-4.31,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(cc4OC)cc(c4OC(C)=O)OC,0.0
70446,CO-ADD:0259538,-4.31,C(=CC(\C=C\c(ccc1c2cccc(Cl)c2Cl)o1)=NC3=O)(C(F)(F)F)N3,0.0
70447,CO-ADD:0287420,-4.31,C(C#N)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
70448,CO-ADD:0287548,-4.32,C(=N/c1cccc(Cl)c1)(/SC=C2c3ccc(cc3)I)\N2CCO.Br,0.0
70449,CO-ADD:0287564,-4.32,C1(=O)Oc(c(c2)S1)cc(c2OC(=O)Nc3cccc(Cl)c3)Br,0.0
70450,CO-ADD:0287141,-4.32,c(c1C)([N+](=O)[O-])c(Cl)nc(Cl)c1C(=O)NC(=O)Nc2ccccc2C(F)(F)F,0.0
70451,CO-ADD:0288698,-4.32,n1(C2CCCC2)c(cnc1CCNC(=O)OC(C)(C)C)C,0.0
70452,CO-ADD:0290559,-4.32,C1(CC(C)(C)NC2=S)(CC(c3ccccc3Cl)Oc(cc(O)c(Cl)c4)c14)N2,0.0
70453,CO-ADD:0287769,-4.32,c1(nnc(ccc(Cl)n2)n12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.0
70454,CO-ADD:0287706,-4.32,N1(CCc(c23)cccc2)C3CNC(CC(OCC)=O)C1=O.Cl,0.0
70455,CO-ADD:0286223,-4.32,N1C(SCC(=O)Nc2cc(on2)C)=NN=C(C)C1=O,0.0
70456,CO-ADD:0292150,-4.32,C(C(c1ccccc1)=O)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2c4ccc(cc4)F)=O,0.0
70457,CO-ADD:0287856,-4.32,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3Cl)C)c3,0.0
70458,CO-ADD:0291677,-4.32,c1(C(OCC)=O)c(C)oc(ccc(O)c2CN(C)C)c12,0.0
70459,CO-ADD:0299883,-4.32,n1(Cc2ccccc2)c(C)nnc1S,0.0
70460,CO-ADD:0300045,-4.32,C(C#N)(C(c1ccc(cc1)OCc2ccccc2)CC(N3)=O)=C3SCC(OCC)=O,0.0
70461,CO-ADD:0287645,-4.32,C(/SC(N1C2CCCCC2)=S)(\C1=O)=C(/S\C(\C3=O)=C(/Sc(c45)cccc4)\N5C)\N3C6CCCCC6,0.0
70462,CO-ADD:0287661,-4.32,c12c(ccc(c1)[N+](=O)[O-])oc(CC(C)(O)C3CC(CC34)C=C4)c2N(CC5)CCO5,0.0
70463,CO-ADD:0290585,-4.32,c1(c(C)[nH]n2)c2CC(C)(O)C(C(C)=O)C1c(cccc3[N+](=O)[O-])c3,0.0
70464,CO-ADD:0290345,-4.32,C(C#N)(C#N)(C(c1ccc(cc1)C)CC(C2C(c3ccccc3)=O)(O)c4ccccc4)C2c5ccc(cc5)C,0.0
70465,CO-ADD:0285591,-4.32,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4cccc(OC)c4)n1,0.0
70466,CO-ADD:0285585,-4.32,C1(C(=O)Nc2ccccc2C)C3C1\C=C/CCCC3,0.0
70467,CO-ADD:0290759,-4.32,C(N)(N\N=C\OCC)=S,0.0
70468,CO-ADD:0290967,-4.32,S(=O)(=O)(c1c(OC)ccc(Br)c1)n2c3c(nc2)cccc3,0.0
70469,CO-ADD:0285748,-4.32,N(NC(=O)c1cccc(Cl)c1)(C(=O)C(C2C3(Br)c(c45)cccc4)C5(Br)c6c3cccc6)C2=O,0.0
70470,CO-ADD:0291206,-4.32,C(c(ccc(c12)OCO1)c2)(Oc(cccc3)c3C4=O)=C4O,0.0
70471,CO-ADD:0292213,-4.33,C(=C\c(cc(OC)c(c1[N+](=O)[O-])O)c1)(/C(=O)NN2c3ccc(cc3)F)\C2=O,0.0
70472,CO-ADD:0294410,-4.33,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)NC(C)c4ccccc4)c1Cl,0.0
70473,CO-ADD:0294713,-4.33,c1(ccc(C(C)(C)O)s1)C(=O)C(C2CCN3CC2)C3.Cl,0.0
70474,CO-ADD:0293228,-4.33,n1c(c2ccccc2)c([nH]c1c(c3)cc(c(O)c3C(C)(C)C)C(C)(C)C)c(cc4)ccc4C(=O)c5ccc(cc5)F,0.0
70475,CO-ADD:0293538,-4.33,c1(C(O)c2ccc(cc2)OCc3ccccc3)n(C(C)C)c4c(cccc4)n1,0.0
70476,CO-ADD:0294586,-4.33,[N+](=O)([O-])c1ccc(c2c1cccn2)NCCOc3ccccc3C,0.0
70477,CO-ADD:0283361,-4.33,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CNCC(OCC)=O,0.0
70478,CO-ADD:0283568,-4.33,c1(C(OCC)=O)c2c(n(c3ccccc3)c1CN4CCCCC4)cc(Br)c(O)c2CN(C)C,0.0
70479,CO-ADD:0283418,-4.33,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(CSCC(=O)Nc4ccccc4)=O)n1,0.0
70480,CO-ADD:0283434,-4.33,C1(c2ccccc2OC)=N\C(\C(=O)O1)=C/c3cc(OC)ccc3OC,0.0
70481,CO-ADD:0283506,-4.33,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c(ccc(c4OC)OCc5ccccc5)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70482,CO-ADD:0283316,-4.33,n12c(ccc(cccc3)c13)nnc2c4ccc(cc4)Br,0.0
70483,CO-ADD:0279075,-4.33,n1c(c2ccc(cc2)F)csc1\C(\C#N)=C\c(cc3)ccc3OC,0.0
70484,CO-ADD:0278892,-4.33,c1(c2ccc(cc2OC)OC)nnc(ccc(cccc3)c34)n14,0.0
70485,CO-ADD:0284461,-4.33,n1(c2c(nn1)cccc2)C(=O)c3cccc(cccc4)c34,0.0
70486,CO-ADD:0283221,-4.33,C(C(c1ccccc1)=O)(C2c3ccccc3OC)=C(O)C(N2CCc4ccccc4)=O,0.0
70487,CO-ADD:0278437,-4.33,C(C#N)(C(c1cccs1)C2C(=O)Nc3ccccc3C)=C(SCC(=O)Nc(cc4)ccc4Br)NC2(C)O,0.0
70488,CO-ADD:0284910,-4.33,C(C(c1ccccc1)=O)(C2c3ccc(cc3)C)=C(O)C(N2CCc4ccccc4)=O,0.0
70489,CO-ADD:0259369,-4.33,C1(C#N)=C(N)Oc(c2C1c3cccc(OC)c3)ccc(cccc4)c24,0.0
70490,CO-ADD:0259777,-4.33,N1(CCCOC)C(=O)c2c(N=C1c3ccco3)cccc2,0.0
70491,CO-ADD:0277575,-4.33,C(C#N)(C1c2ccccc2Cl)=C(SCC(=O)Nc(cc3)ccc3Br)NC(C)=C1C(C)=O,0.0
70492,CO-ADD:0283243,-4.33,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Cl)c4sc(c5c4C(OC)=O)CCCC5,0.0
70493,CO-ADD:0277994,-4.33,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C/c(ccc3c4ccccc4Cl)o3)\C1=O)C,0.0
70494,CO-ADD:0283630,-4.33,N1(c(cc2)ccc2C(C)CC)C(c3ccc(cc3)OCCC)Nc(c4C1=O)cccc4,0.0
70495,CO-ADD:0283987,-4.33,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4ccccc4OC,0.0
70496,CO-ADD:0257724,-4.34,C(NCC=C)(=O)C(NCCCCCCCCCCCC)=O,0.0
70497,CO-ADD:0258397,-4.34,c1(cc(OCCO2)c2cc1C(C)=O)NC(c3ccccc3)=O,0.0
70498,CO-ADD:0283881,-4.34,C(=O)(c1cccc(c1)NCc2ccccc2OCC(=O)N3CCCCC3)Nc4cccc(cccc5)c45,0.0
70499,CO-ADD:0257338,-4.34,N1(C(=O)C=CC1=O)c(ccc(c2C(=O)Nc(ccc(c3C)C)c3)Cl)c2,0.0
70500,CO-ADD:0258074,-4.34,c1(N\N=C\c(cc2OC)cc(c2OC)OC)c(F)c(F)c(c(F)c1F)F,0.0
70501,CO-ADD:0259520,-4.34,C(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3F,0.0
70502,CO-ADD:0284690,-4.34,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2Cl)C(=O)NCC(C)C,0.0
70503,CO-ADD:0299386,-4.34,N1(c2ccc(cc2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C,0.0
70504,CO-ADD:0287581,-4.34,c1(SCc(cc2OC)c(OC)cc2CSc3oc(c4n3)cccc4)oc(c5n1)cccc5,0.0
70505,CO-ADD:0286212,-4.34,C(=C/c(ccc1c2ccc(cc2Cl)Cl)o1)(/C(C)=NN3c4cccc(Cl)c4)\C3=O,0.0
70507,CO-ADD:0288815,-4.34,C(CC(=O)OC)C(NCC#C)=O,0.0
70508,CO-ADD:0290370,-4.34,s1c(C)nnc1SCC(=O)Nc(c(Cl)c2)ncc2C(F)(F)F,0.0
70509,CO-ADD:0286239,-4.34,N(CC(=O)N(CC)CC)(c(cccc1)c1C2(O)CC(c3ccccc3)=O)C2=O,0.0
70510,CO-ADD:0285333,-4.34,c12c(n(c(Sc3nc(c4n3Cc5ccccc5)cccc4)n1)C)C(N(C)C(=O)N2C)=O,0.0
70511,CO-ADD:0285373,-4.34,c1(nnc(SCC(=O)Nc2cccc(OC)c2)s1)NS(C)(=O)=O,0.0
70512,CO-ADD:0285366,-4.34,c1(O2)c(c([nH]n1)C)C(C(C#N)=C2N)C3CCCCC3,0.0
70513,CO-ADD:0285382,-4.34,C(/c1c(C2=O)cccc1)(=C/c3ccccc3OCCO)\C2=O,0.0
70514,CO-ADD:0285112,-4.34,C(O)(C(F)(F)F)(C(F)(F)F)c(c1)cc(c(C)c1[N+](=O)[O-])[N+](=O)[O-],0.0
70515,CO-ADD:0286991,-4.34,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)NC(NCCC)=O,0.0
70516,CO-ADD:0299983,-4.34,N(C(=O)C(C)c1ccc(cc1)CC(C)C)c2sccn2,0.0
70517,CO-ADD:0286584,-4.35,c1(cnn(C)c1C(=O)Nc2ccccc2C#N)[N+](=O)[O-],0.0
70518,CO-ADD:0286569,-4.35,S1(=O)(=O)c(cccc2)c2C(N(C)\N=C(/c3c(N4)cccc3)\C4=O)=N1,0.0
70519,CO-ADD:0286778,-4.35,N1(C(CCCCl)=O)c2c([C@]([H])(CN(C)CC3)[C@]13[H])cc(C)cc2.Cl,0.0
70520,CO-ADD:0299969,-4.35,[N+](=O)([O-])c(c1)cc(cc1C(=O)N(CC2)CCO2)C(=O)N(CC3)CCO3,0.0
70521,CO-ADD:0285463,-4.35,n1(c2ccccc2)c(S)nnc1C(CCCC)CC(COCCC)O,0.0
70522,CO-ADD:0285505,-4.35,c1(C(=O)OCc2c(C)cc(cc2C)C)nonc1N,0.0
70523,CO-ADD:0299169,-4.35,N1(C)c2c(cccc2)Oc(nnc(N(CC3)CCN3C(c4ccccc4)c5ccccc5)c6)c16,0.0
70524,CO-ADD:0290575,-4.35,c1(C(OCC)=O)c(c(cc2)ccc2c3ccccc3)csc1NC(CSc4ccccc4)=O,0.0
70525,CO-ADD:0285468,-4.35,C12(CC(OC1=O)COCCCC)CC(OC2=O)(C)c3csc(Nc(cc4)ccc4C)n3,0.0
70526,CO-ADD:0291773,-4.35,N1(C2c3cccs3)C(S\C(=C\c(ccc4[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70527,CO-ADD:0286114,-4.35,c1(c2c(sc1NC(=O)c3ccccc3F)CCC2)C(=O)NC(C)C,0.0
70528,CO-ADD:0286717,-4.35,c1(cc(ccc1NC(CSc2nnc(C)s2)=O)Cc(ccc(c3C(O)=O)NC(CSc4nnc(C)s4)=O)c3)C(O)=O,0.0
70529,CO-ADD:0285543,-4.35,C1(c2ccccc2)=C(C)SSC1=S,0.0
70530,CO-ADD:0286882,-4.35,n1(c2ccccc2)c(COc(ccc(c3C)C)c3)nnc1SCC(=O)Nc(ccc(c4s5)nc5SCC(=O)Nc6ccccc6)c4,0.0
70531,CO-ADD:0292748,-4.35,C(C(=O)c1ccc(cc1)C)(=C(O)C(N2CCCCCC(O)=O)=O)C2c3ccccc3[N+](=O)[O-],0.0
70532,CO-ADD:0296148,-4.35,[N+](=O)([O-])\C=C\c(ccc(c1O)OC)c1,0.0
70533,CO-ADD:0292535,-4.35,N1(C)c2c(cccc2)N(C(C)CC1=O)C.Cl,0.0
70534,CO-ADD:0295676,-4.35,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(c4c3)OCO4)=C(O)C(N2c(cccn5)c5)=O,0.0
70535,CO-ADD:0295636,-4.35,C1(=O)NCCSC1CC(=O)Nc(cc2)ccc2C(OC)=O,0.0
70536,CO-ADD:0294607,-4.36,n1(c2ccc(cc2)OCC)nc(c3n1)ccc(NC(COc4ccccc4C)=O)c3,0.0
70537,CO-ADD:0279187,-4.36,C(COc1ccccc1)(=O)N\N=C\c2ccc[nH]2,0.0
70538,CO-ADD:0284134,-4.36,C1(C(OCCSC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OC,0.0
70539,CO-ADD:0279013,-4.36,n1(c2ccccc2)c(COc(cc3)ccc3C(C)(C)C)nnc1SCC(=O)Nc4sccn4,0.0
70540,CO-ADD:0284854,-4.36,N1(N=C(CC1(O)c2ccc(cc2)Cl)C)C(=O)c3ccccc3OC,0.0
70541,CO-ADD:0284878,-4.36,C12=C(CC(C)(C)CC1=O)NC(=S)NC2c3ccccc3,0.0
70542,CO-ADD:0284814,-4.36,N1(c2c(C)ccc(Cl)c2)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
70543,CO-ADD:0284768,-4.36,c1(C(=O)N2CCCC2)c3c(sc1NC(=O)c4ccc(cc4)C)CC(C)CC3,0.0
70544,CO-ADD:0257705,-4.36,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3cccs3)c4sc(c5c4C#N)CCCCC5,0.0
70545,CO-ADD:0257241,-4.36,N1C(=O)\C(\SC1=S)=C/c(cc2)ccc2OCC(C)C,0.0
70546,CO-ADD:0257666,-4.36,C(=O)(C(NCCCOC(C)C)=O)Nc1cccc(C)c1C,0.0
70547,CO-ADD:0284369,-4.36,S1(=O)(=O)c(cccc2)c2C(N\N=C(/c3c(N4C)cccc3)\C4=O)=N1,0.0
70548,CO-ADD:0258783,-4.36,C(=O)(Nc(cc(C)cc1C)c1)C2CC=CCC2C(O)=O,0.0
70549,CO-ADD:0258808,-4.36,N(CC(OCC)=O)(C(=O)C(C1C2(Br)c3c4cccc3)C4(Br)c5c2cccc5)C1=O,0.0
70550,CO-ADD:0258690,-4.36,c1(SCC(=O)Nc(cc2)ccc2C(C)C)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
70551,CO-ADD:0258715,-4.36,c1(cc(ccc1N(CC2)CCN2Cc3ccccc3)\C=N\O)[N+](=O)[O-],0.0
70552,CO-ADD:0277977,-4.36,C(c1c(cccc1)C(N2)=O)(=N2)C(C(=O)N\N=C\c3cc(sc3SC)I)NC(c4ccccc4)=O,0.0
70553,CO-ADD:0277706,-4.36,c1(cccc(C)c1NC(=O)c2ccc(cc2)F)C(O)=O,0.0
70554,CO-ADD:0257245,-4.36,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4cccs4)\C1=O)=NC(C)=C2C(C)=O,0.0
70555,CO-ADD:0257686,-4.36,s1c(nnc1C23CC4CC(CC(C4)C2)C3)NC(c5ccccc5)=O,0.0
70556,CO-ADD:0257246,-4.36,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(ccc4c5ccc(cc5Br)[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70557,CO-ADD:0257862,-4.36,C12(\C=N/c3cccc(Cl)c3)c4c(cccc4)C(C(C1C5=O)C(N5c6ccc(cc6)OC)=O)c(cccc7)c27,0.0
70558,CO-ADD:0257287,-4.37,C(C(OCC)=O)(C1c2ccc(Br)s2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,0.0
70559,CO-ADD:0257303,-4.37,c1(\C=N\c(cccc2C(C)=O)c2)c3c([nH]c1C)cccc3,0.0
70560,CO-ADD:0283958,-4.37,N(Cc1ccccc1)(C(c2ccc(cc2)Cl)=NN3CN(CC4)CCN4C(OCC)=O)C3=S,0.0
70561,CO-ADD:0278196,-4.37,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(=O)c(ccc(c4Cl)Cl)c4)n1,0.0
70562,CO-ADD:0283654,-4.37,S(=O)(=O)(N1CCCC1)c(ccc(c2C(=O)Nc(cc3)ccc3C(O)=O)Cl)c2,0.0
70563,CO-ADD:0259541,-4.37,C(C(OCC)=O)(C1c2ccc(cc2)C)=C(CC(OCC)=O)OC(N)=C1C#N,0.0
70564,CO-ADD:0277935,-4.37,C(=O)(Nc1cccc(Br)c1)c2ccccc2Br,0.0
70565,CO-ADD:0277337,-4.37,n(c(cc1)ccc1[N+](=O)[O-])(c2C)c(C)cc2\C=C(\SC(N3)=S)/C3=O,0.0
70566,CO-ADD:0289071,-4.37,c1(C(=O)N2CCC(CC2)CC(O)=O)c(C)[nH]c(C(OCC)=O)c1C,0.0
70567,CO-ADD:0289129,-4.37,c1(C(=O)Nc2nnc(C)s2)sc(nn1)CCC(O)=O,0.0
70568,CO-ADD:0291201,-4.37,S(=O)(=O)(c1ccc(cc1)Cl)N(C(=O)\C=C\c2ccccc2)c(ccc(c34)oc(c5ccccc5)c3C(OCC)=O)c4,0.0
70569,CO-ADD:0290833,-4.37,S(=O)(=O)(N1CCC(CC1)Cc2ccccc2)c3c(C)ccc(c3)[N+](=O)[O-],0.0
70570,CO-ADD:0290780,-4.37,C(=N\c1ccccc1Cl)(/S\C(\C2=O)=C\c3cccc(c3)OCC(O)=O)\N2,0.0
70571,CO-ADD:0290796,-4.38,c1(cc(C#N)c(cc1N2CCCC2C(O)=O)C#N)[N+](=O)[O-],0.0
70572,CO-ADD:0291204,-4.38,n1(c2ccccc2)c(SCC(=O)Nc3c(C)cc(cc3C)C)nnc1c4ccco4,0.0
70573,CO-ADD:0286826,-4.38,N1(Nc2ccccc2)C(=O)OC3(CCCCC3)C1(C)O,0.0
70574,CO-ADD:0287010,-4.38,c1(C(NCCCC)=O)c(C)c(Cl)c(nc1Cl)C,0.0
70575,CO-ADD:0299266,-4.38,C(C(OCC)=O)(C(F)(F)F)(Nc1sc(c2c1C(OC)=O)CCCCC2)NC(=O)N(C)C,0.0
70576,CO-ADD:0291257,-4.38,C(/C(=O)NCc(cco1)c1)(\NC(=O)c(cc2)ccc2C(C)(C)C)=C/c3cccs3,0.0
70577,CO-ADD:0292157,-4.38,N1(c2ccccc2C)C(=O)CSC1=O,0.0
70578,CO-ADD:0299675,-4.38,C1(C(c2ccccc2)=O)=C(Nc(cc3)ccc3Br)C(NC1c4ccccc4)=O,0.0
70579,CO-ADD:0299668,-4.38,c12c(ccc(C(O)=O)c1NCCCO)C(=O)c(c3C2=O)cccc3,0.0
70580,CO-ADD:0287939,-4.38,N1(C(C)=O)C(c2ccc(cc2)F)CC(c3ccccc3)=N1,0.0
70581,CO-ADD:0292186,-4.38,N1(NC(=O)c2ccccc2Cl)C(=S)S\C(\C1=O)=C(\c3c(N4)ccc(Br)c3)/C4=O,0.0
70582,CO-ADD:0287965,-4.38,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5cccc(OC)c5)cccc4,0.0
70583,CO-ADD:0287365,-4.38,C(=C/c1cccc(c1)OCc2ccccc2F)(/C(=O)NC(N3)=O)\C3=O,0.0
70584,CO-ADD:0286768,-4.38,c1(nn(cc1[N+](=O)[O-])C)C(=O)n(c(C)cc2[N+](=O)[O-])n2,0.0
70585,CO-ADD:0286784,-4.38,N1=C(c2ccccc2)c(cccc3)c3C(=O)N1CCOC(C)=O,0.0
70586,CO-ADD:0299967,-4.38,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccccc2OCC)N3CCCCC3C,0.0
70587,CO-ADD:0285738,-4.39,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C/C=C(\C(C)(C)c(c34)cccc3)/N4C,0.0
70588,CO-ADD:0289152,-4.39,c1(C2CCCN2C(=O)OC(C)(C)C)noc(CCC(O)=O)n1,0.0
70589,CO-ADD:0289117,-4.39,C(=O)(OC(C)(C)C)N1CCCC(COc(ccc2C(O)=O)cc2)C1,0.0
70590,CO-ADD:0284760,-4.39,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(N)(=O)=O)n1)c(c4n2C(C)C)cccc4,0.0
70591,CO-ADD:0284864,-4.39,N1(c2ccccc2C#N)C(=O)C(C3C1=O)C(C=C4)\C(\C34)=C(\C)/C,0.0
70592,CO-ADD:0283968,-4.39,C(C(=O)OCc1ccccc1)(C2c(cc3)ccc3N(CC)CC)=C(C)NC(CC(c4ccc(cc4)Cl)CC5=O)=C25,0.0
70593,CO-ADD:0284769,-4.39,c1(C(=O)N(CC2)CCN2C)c3c(sc1NC(=O)c4ccc(cc4)C)CC(C)CC3,0.0
70594,CO-ADD:0278809,-4.39,N1(c(cc2)ccc2c3oc(c4n3)cccc4)C(=O)c5c(cccn5)C1=O,0.0
70595,CO-ADD:0278609,-4.39,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c(cccc4C(F)(F)F)c4)\SC=C1c(cccc5[N+](=O)[O-])c5.Br,0.0
70596,CO-ADD:0279070,-4.39,C(C(=O)OC(C)C)(=C(C)OC(=C1C#N)N)C1c(cc2OC)cc(c2OC)OC,0.0
70597,CO-ADD:0279063,-4.39,C(C(=O)OC(C)(C)C)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2Cl)Cl,0.0
70598,CO-ADD:0278840,-4.39,N(C(CCC(O)=O)=O)c1ccc(cc1Cl)NC(CCC(O)=O)=O,0.0
70599,CO-ADD:0283508,-4.39,N12C(S\C(=C\c(cc3)ccc3Cl)\C1=O)=NC(C)=C(C(OCC)=O)C2c4ccc(c(cccc5)c45)OC,0.0
70600,CO-ADD:0283564,-4.39,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)NC4CCCCC4)c2)sc5c(ccc(N)c5)n1,0.0
70601,CO-ADD:0283509,-4.39,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c(ccc(c4OCC)OCc5cccc(cccc6)c56)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70602,CO-ADD:0277746,-4.39,n1c(c(cc2)ccc2C(O)=O)[nH]c(c3ccccc3)c1c4ccc(cc4)Cl,0.0
70603,CO-ADD:0277603,-4.39,n(nnc1C(=O)N2CCCCC2)(c1c(cc3)ccc3[N+](=O)[O-])c4nonc4N,0.0
70604,CO-ADD:0277339,-4.39,N1(c2ccccc2)C(C(SC1=S)(C)C)\[N+](\[O-])=C\c(cccn3)c3,0.0
70605,CO-ADD:0259400,-4.39,c1(N(CC)CC)nc(Nc(ccc(c2C)C)c2)nc(Nc3cc(C)ccc3C)n1.Cl,0.0
70606,CO-ADD:0259416,-4.39,c12c(nnc(SCCN(CC3)CCO3)n1)c4c(cccc4)n2CCc5ccccc5,0.0
70607,CO-ADD:0259794,-4.39,C(=O)(Nc(cc1)ccc1OCCCCC)C(NCCCO)=O,0.0
70608,CO-ADD:0257631,-4.4,N1(c2ccc(cc2C)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(c4)cc(cc4C(O)=O)C(O)=O,0.0
70609,CO-ADD:0259729,-4.4,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(cc4OC)cc(c4OCC)I)nc(Nc(cc5)ccc5C)n1,0.0
70610,CO-ADD:0284197,-4.4,n(c(OC)ncc1NC(=O)C2CC=CCC2C(=O)OC\C(\Cl)=C(/Cl)\Cl)c1OC,0.0
70611,CO-ADD:0283837,-4.4,C(=O)(Nc(cc1)ccc1C(C)C)c(cc(cc2C(=O)Nc(cc3)ccc3C(C)C)NC(c4ccccc4)=O)c2,0.0
70612,CO-ADD:0257809,-4.4,n1(N)c(C)nnc1N\N=C/c2c[nH]nc2c3ccccc3.Cl.Cl,0.0
70613,CO-ADD:0277579,-4.4,C1(C#N)=C(SCc2ccccc2)NC(=O)CC1c3ccccc3OC,0.0
70614,CO-ADD:0284642,-4.4,c1(cc(no1)\C=C\c2ccccc2)C(F)(F)F,0.0
70615,CO-ADD:0278485,-4.4,c1(C2c3cccs3)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
70616,CO-ADD:0300086,-4.4,n(CC(O)=O)(c1c(n2)cccc1)c2CC,0.0
70617,CO-ADD:0288771,-4.4,C12(OCCC(C1)CC(NCc3cnccc3)=O)CCN(CC2)C(c(c4)oc([N+](=O)[O-])c4)=O,0.0
70618,CO-ADD:0291666,-4.4,c1(NC(C)=O)sc2c(cccc2O)c1C(OCC)=O,0.0
70619,CO-ADD:0291730,-4.4,C(=C/c1cc(ccc1N(CC2)CCO2)[N+](=O)[O-])(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
70620,CO-ADD:0289387,-4.4,C(=O)(OC(C)(C)C)N1CCC(Oc(ccc2\C(\N)=N\O)cc2)C1,0.0
70621,CO-ADD:0289007,-4.4,c1(C(=O)Nc(cc2)ccc2OC)sc(nn1)COCC(O)=O,0.0
70622,CO-ADD:0291839,-4.4,c1(cnc(NC(COc2c(Cl)ccc(Cl)c2)=O)s1)S(=O)(=O)c(cc3)ccc3[N+](=O)[O-],0.0
70623,CO-ADD:0291590,-4.4,C1(=Cc2c(OC1=O)ccc(cccc3)c23)c4scc(n4)C5=Cc6c(OC5=O)ccc(cccc7)c67,0.0
70624,CO-ADD:0291446,-4.4,c1(C(=O)Nc2cccc(cccc3)c23)c4c(sc1N)CC(C)CC4,0.0
70625,CO-ADD:0292123,-4.4,C(/C1)(=C/c(cc2)ccc2OCc3ccccc3)\C(=O)\C(\CN1C)=C\c(cc4)ccc4OCc5ccccc5,0.0
70626,CO-ADD:0291507,-4.4,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(=O)Nc(cc4)ccc4C(C)=O)c1Cl,0.0
70627,CO-ADD:0292117,-4.4,n1c2c(oc1c(ccc(c3NC(=O)c4cc(I)ccc4I)C)c3)cccn2,0.0
70628,CO-ADD:0287359,-4.4,N1(c2ccc(cc2)OC)C(=O)CC(N(CCc(cc3)ccc3S(N)(=O)=O)C(CCC(O)=O)=O)C1=O,0.0
70629,CO-ADD:0287391,-4.4,c1(N(CC2)CCN2C(=O)c3ccc(cc3)C)sc(c4n1)cccc4,0.0
70630,CO-ADD:0287912,-4.41,C12(Nc(cccc3)c3C(=O)N1c(cccc4C(F)(F)F)c4)c5c(N(Cc6ccccc6F)C2=O)cccc5,0.0
70631,CO-ADD:0287234,-4.41,C12=C(C(N(c3ccccc3)C1=O)c4ccccc4F)\C(\C(=O)N2c5ccccc5)=C\c6ccccc6,0.0
70632,CO-ADD:0287980,-4.41,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cc(OC)c(cc3OC)OC,0.0
70633,CO-ADD:0287941,-4.41,C(c1ccccc1)(=O)NC(Cc(cc2)ccc2F)C(OCC#C)=O,0.0
70634,CO-ADD:0291958,-4.41,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Br)=C(O)C(N2c4ccc(cc4)F)=O,0.0
70635,CO-ADD:0299939,-4.41,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2CC)(C(=O)Nc3ccccc3OC)C1c4ccccc4,0.0
70636,CO-ADD:0292143,-4.41,c1(c2cccc(cccc3)c23)[nH]c(c(c4cccc(I)c4)n1)c5cccc(I)c5,0.0
70637,CO-ADD:0291635,-4.41,C1(=C(C)NC(NC1c2cccc(OC)c2OC)=O)C(=O)Nc(cc3)ccc3C,0.0
70638,CO-ADD:0299924,-4.41,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3CC)C2c4cccs4,0.0
70639,CO-ADD:0291480,-4.41,n1(n2)c(nc(cc1C(F)(F)F)c(ccc(c3Cl)Cl)c3)cc2C(=O)N(CC4)CCN4c5ccccc5OC,0.0
70640,CO-ADD:0284783,-4.41,C(C(OC)=O)(S\C(\S1)=C\C(c2ccccc2)=S)=C1C(OC)=O,0.0
70641,CO-ADD:0283895,-4.41,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=S)=C/c(cc3)ccc3OCc4ccccc4F,0.0
70642,CO-ADD:0277700,-4.41,C(F)(F)(C(F)F)C(NCCN=C1c2cc(Cl)ccc2O)=C1,0.0
70643,CO-ADD:0277726,-4.41,N(c1c(Cl)ccc(c1)C(F)(F)F)(C(=O)C(C2C3(Br)c(c45)cccc4)C5(Br)c(c36)cccc6)C2=O,0.0
70644,CO-ADD:0277934,-4.41,C(=O)(Nc1cccc(Cl)c1)c2ccccc2Br,0.0
70645,CO-ADD:0277750,-4.41,C(COc(cc1)ccc1F)(=O)Nc(cc2)ccc2OCC,0.0
70646,CO-ADD:0283517,-4.41,c1(SCC(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
70647,CO-ADD:0278662,-4.41,N(C(=O)c1ccc(cc1)OC)c2c(C)cc(cc2C)O,0.0
70648,CO-ADD:0278678,-4.41,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(cc3OC)cc(c3O)Br)\C1=O)C,0.0
70649,CO-ADD:0283926,-4.41,n1(c2ccccc2)c(SCC(O)=O)nnc1c3ccccc3,0.0
70650,CO-ADD:0284267,-4.41,N12C(S\C(=C\c(ccc3c(cccc4C(F)(F)F)c4)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)c(cc5Br)OC,0.0
70651,CO-ADD:0284286,-4.41,c1(NC(=O)c(cc2)ccc2C(C)(C)C)sc3c(CCC(C(C)(C)C)C3)c1C#N,0.0
70652,CO-ADD:0277866,-4.41,c1(C2=O)c(sc(COC(C)(C)C3)c13)N=C(SCCN(CC)CC)N2c4ccccc4,0.0
70653,CO-ADD:0259118,-4.41,C1(C(OC\C=C\C)=O)=C(C)NC(=O)NC1c2ccccc2,0.0
70654,CO-ADD:0278008,-4.41,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)NC(C4CCCCC4)=O)n1,0.0
70655,CO-ADD:0278048,-4.41,C(C(O)(c1ccccc1)c2ccccc2)#CC(C)(O)c3cccs3,0.0
70656,CO-ADD:0277930,-4.41,c1(c(N)ncnc1N2CCCCC2)[N+](=O)[O-],0.0
70657,CO-ADD:0258697,-4.41,c1(SCC(=O)Nc(cc2)ccc2C(C)C)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
70658,CO-ADD:0278740,-4.41,N(c1ccc(cc1)CC)(C(c2ccc(cc2)OCCCC)C=C3Nc(cc4)ccc4CC)C3=O,0.0
70659,CO-ADD:0279181,-4.42,c1(SC)sc2c(ccc(c2)NC(=O)c3cccc(C)c3)n1,0.0
70660,CO-ADD:0258922,-4.42,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(cc3)Cl)\N2CCc(ccc(c4OC)OC)c4.Br,0.0
70661,CO-ADD:0279054,-4.42,n1c(c2ccc(cc2C)C)csc1\C(\C#N)=N\Nc(cc3)ccc3OC,0.0
70662,CO-ADD:0278580,-4.42,C(/C#N)(=C/c(cc1)ccc1C)\C(=O)Nc2cc(C)ccc2C,0.0
70664,CO-ADD:0288995,-4.42,N1(OC)C(=O)c2c(Oc(cc(cn3)C(F)(F)F)c13)cccc2,0.0
70665,CO-ADD:0288796,-4.42,c1(nnc(cn1)C)C2CCCCC2,0.0
70666,CO-ADD:0285042,-4.42,N1(CNc(ccc(c2Cl)C)c2)N=C(OC1=S)c3ccc(cc3)C,0.0
70667,CO-ADD:0291768,-4.42,N1(c2ccc(c(C)c2)C)C(=O)\C(=C/c(ccc3c4ccc(cc4)Cl)o3)\C(N(c5ccccc5)C1=S)=O,0.0
70668,CO-ADD:0291232,-4.42,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc3)cc(c3OC(C)C)OC,0.0
70669,CO-ADD:0288472,-4.42,c1(C(CCCN2)C2)ncc(C)n1C(CC3)CCO3.Cl.Cl,0.0
70670,CO-ADD:0288492,-4.42,c1(C2CCCCN2)ncc(C)n1C(CC3)CCO3.Cl.Cl,0.0
70671,CO-ADD:0291228,-4.42,N1(c2cccc(C)c2)C(=O)\C(=C/Nc3sc(c(C)c3C#N)C(OCC)=O)\C(NC1=O)=O,0.0
70672,CO-ADD:0290766,-4.42,C(C(N)=O)(SC(N1CC)=S)=C1N,0.0
70673,CO-ADD:0290814,-4.42,C1(C2c3ccccc3)=C(NCCN=C1c4ccc(cc4)Cl)C(N2c5ccccc5)=O,0.0
70674,CO-ADD:0291230,-4.42,N1(c2ccc(cc2)Cl)C(=O)\C(=C/Nc3sc(c4c3C(OCC)=O)CCCC4)\C(NC1=O)=O,0.0
70675,CO-ADD:0291728,-4.43,s1c(SCC(=O)Nc(cc2)ccc2C(C)=O)nnc1SCC(=O)Nc(cc3)ccc3C(C)=O,0.0
70676,CO-ADD:0292040,-4.43,s1c(c2ccc(cc2)OCC)nnc1NC(C)=O,0.0
70677,CO-ADD:0291461,-4.43,c1(c2ccc(c1)OC(=O)c3cccc(Cl)c3)OC(C=C2C)=O,0.0
70678,CO-ADD:0291455,-4.43,[N+](=O)([O-])c1cccc(c1)\C=C\C(=O)N2CCCCCC2,0.0
70679,CO-ADD:0292120,-4.43,c1(oc(c2n1)cccn2)c3cc(ccc3Cl)NC(=O)c4cccc(OCC)c4,0.0
70680,CO-ADD:0292128,-4.43,n1(c2ccc(c(C)c2)C)nc(c3n1)ccc(NC(=O)c4ccc(c(cccc5[N+](=O)[O-])c5)o4)c3,0.0
70681,CO-ADD:0291512,-4.43,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(=O)NCc(cc4)ccc4OC)c1Cl,0.0
70682,CO-ADD:0292106,-4.43,N1(C(=O)c2c(c(ccc3C(C)=O)C1=O)c3ccc2)c4c(C)n(nc4C)C,0.0
70683,CO-ADD:0299706,-4.43,n1c(N2CCC(CC2)C)c(Nc(ccc(c34)OCO3)c4)nc(non5)c15,0.0
70684,CO-ADD:0299187,-4.43,c(c1c([nH]2)cccc1)(c2)\C=C(/NC(C)=O)\C(OC)=O,0.0
70685,CO-ADD:0285446,-4.43,c12c(c3c(cccc3)OC1c4ccccc4)cc(c5ccccc5)n2Cc6ccccc6,0.0
70686,CO-ADD:0299221,-4.43,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCCc(cc3)ccc3Cl,0.0
70687,CO-ADD:0290606,-4.43,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(cc3)F)=C(O)C(N2CC=C)=O,0.0
70688,CO-ADD:0299689,-4.43,N1(Cc2ccccc2)C(=O)c(c3C1(O)Cc4ccccc4)cccc3,0.0
70689,CO-ADD:0287968,-4.43,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccccc5OCc6ccccc6)cccc4,0.0
70690,CO-ADD:0287022,-4.43,c1(NC(=O)Nc2cccc(Cl)c2)n[nH]c3c1c(C)cc(n3)C,0.0
70691,CO-ADD:0290539,-4.43,C(=C/c(ccc1c2ccccc2F)o1)(/C3=O)\C(=O)NC(=O)N3,0.0
70692,CO-ADD:0290556,-4.43,C1(CC(C)(C)NC2=S)(CC(c3ccccc3Cl)Oc4c1ccc(c4)O)N2,0.0
70693,CO-ADD:0290388,-4.43,N1(CN(CC2)CCN2c3ccc(cc3)F)c(cccc4)c4\C(=N\c(cc5)ccc5OCC)\C1=O,0.0
70694,CO-ADD:0291613,-4.43,N12C(S\C(=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cc(OC)c(cc5Br)OC,0.0
70695,CO-ADD:0277950,-4.43,N1(C2c3ccccc3OC)C(S\C(=C\c(ccc(c4OC)O)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70696,CO-ADD:0277321,-4.44,N1(c2ccc(cc2)OCCCC)C(=O)CC(N(CC3)CCN3C\C=C\c4ccccc4)C1=O,0.0
70697,CO-ADD:0277841,-4.44,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc4OC)cc(c4OCc5cccc(cccc6)c56)I)\C1=O)=NC(C)=C2C(C)=O,0.0
70698,CO-ADD:0278139,-4.44,C(/C#N)(=C\c(cc1OCC)cc(c1OCc2ccc(cc2Cl)Cl)Br)\C(=O)Nc3cccc(C)c3,0.0
70699,CO-ADD:0277683,-4.44,N1(C2c3cccs3)C(S\C(=C\c4cc(Cl)ccc4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70700,CO-ADD:0259760,-4.44,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)C(CC)Sc4sc(c5n4)cccc5,0.0
70701,CO-ADD:0283176,-4.44,c12c(ccc(cccc3)c13)nc(C)cc2O,0.0
70702,CO-ADD:0283443,-4.44,n1c2c(sc1c3ccc(cc3)NCc4ccccc4OCC(=O)N(CC5)CCO5)ccc(C)c2,0.0
70703,CO-ADD:0283724,-4.44,N1(c2ccccc2)CC(C(=O)N1)C,0.0
70704,CO-ADD:0283732,-4.44,C1(C(OCC)=O)=C(C)NC(NC1c2ccco2)=S,0.0
70705,CO-ADD:0283460,-4.44,S(=O)(=O)(c1ccc(cc1)C)n2ccc3c2cc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
70706,CO-ADD:0278661,-4.44,S(=O)(=O)(c1ccc(cc1)Cl)\N=C(/C(C)=C2)\C=C(C2=O)C,0.0
70707,CO-ADD:0258766,-4.44,C(/N1CCC2CC1)(\C2=O)=C/c3ccccc3O,0.0
70708,CO-ADD:0258912,-4.44,n1(c2ccccc2)c(COc(cc3)ccc3C4CCCCC4)nnc1CSC(=O)c5ccc(c(O)c5)O,0.0
70709,CO-ADD:0259513,-4.44,C(/C#N)(=C/c(cc1)ccc1N(C)C)\C(=O)Nc2ccc(cc2C)C,0.0
70710,CO-ADD:0260145,-4.44,C(=S)(c1cccc(c1)OC(=O)c(cc2OC)cc(c2OC)OC)N(CC3)CCO3,0.0
70711,CO-ADD:0259609,-4.44,c12n(c3c(cccc3)n1)cc(c4ccccc4)n2C.Cl,0.0
70712,CO-ADD:0278106,-4.44,c(c1ncn2)(c2c3c(C4=O)cccc3)c4ccc1Nc(cc5)ccc5OC,0.0
70713,CO-ADD:0257956,-4.44,C(=O)(c1ccc(cc1)OC)N(CC2)CCN2CCNC(=O)C(=O)Nc(ccc(c3Cl)C)c3,0.0
70714,CO-ADD:0257501,-4.44,S(=O)(=O)(N(CC(C)C)CC(C)C)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c2ccccc2Cl,0.0
70715,CO-ADD:0278440,-4.44,C(C#N)(C(c1ccc(cc1)OCC)CC(N2)=O)=C2SCCCCCC,0.0
70716,CO-ADD:0259235,-4.44,C1(C#N)=C(N)Oc(c2C1c3ccccc3F)ccc(cccc4)c24,0.0
70717,CO-ADD:0284739,-4.44,n12c(ccc(cccc3)c13)nnc2c4ccc(cc4)OCc5ccccc5,0.0
70718,CO-ADD:0285716,-4.45,C(=O)(c1ccc(cc1)Cl)OC(C)(C)C#C,0.0
70719,CO-ADD:0285796,-4.45,n1(C2CCCCC2)c(S)nnc1c(cc3)ccc3C(C)(C)C,0.0
70720,CO-ADD:0291955,-4.45,C(C(=O)c1ccc(cc1)Br)(C2c3ccccc3)=C(O)C(N2CCO)=O,0.0
70721,CO-ADD:0292075,-4.45,c(Sc1nc(C)cc(C)n1)(nc(Nc2ccccc2C(F)(F)F)nc3Sc4nc(C)cc(C)n4)n3,0.0
70722,CO-ADD:0291995,-4.45,N1(C2c3ccccc3Cl)C(S\C(=C/c(ccc4c(cc5)c(OC)cc5[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70723,CO-ADD:0288904,-4.45,c(C)(n(c(c1[N+](=O)[O-])C)CC2CNCCC2)n1.Cl.Cl,0.0
70724,CO-ADD:0288825,-4.45,C1(CC1)C(=O)NCC#C,0.0
70725,CO-ADD:0291233,-4.45,n1c(cc(C)cc2C)c2oc1c(ccc(c3NC(=O)c4ccccc4[N+](=O)[O-])C)c3,0.0
70726,CO-ADD:0291961,-4.45,o1c(C)ccc1CCC(=O)Nc2cccc(C)c2,0.0
70727,CO-ADD:0292091,-4.45,C12(C=Cc(c3O1)cc(cc3C=O)C)Oc(cccc4)c4C(=O)N2C,0.0
70728,CO-ADD:0291997,-4.45,C(/N)(\c1ccccn1)=N/OC(=O)c2ccc(cc2)OC,0.0
70729,CO-ADD:0291919,-4.45,N1(C2c3ccc(cc3)C)C(S\C(=C/c(cc(n4c5ccc(cc5)I)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70730,CO-ADD:0291738,-4.45,c12c(n(c(NC)n1)CCOC)C(NC(=O)N2C)=O,0.0
70731,CO-ADD:0291458,-4.45,c1(NC(=S)NC(=O)c2ccc(cc2)F)sc(c3c1C(OCC)=O)CCC3,0.0
70732,CO-ADD:0291541,-4.45,c1(sc2c(ccc(OCC)c2)n1)Sc(nc(Nc3ccccc3C)nc4Nc5ccccc5C)n4,0.0
70733,CO-ADD:0299351,-4.45,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(c(O)c4)OC)c3C#N)C#N,0.0
70734,CO-ADD:0299375,-4.45,c12c(n(cn1)Cc3cccc(F)c3)C(N(C)C(=O)N2C)=O,0.0
70735,CO-ADD:0285477,-4.45,c1(NC(=O)c2cccc(C)c2)n(c3ccccc3)ncc1C(=O)Nc4cccc(cccc5)c45,0.0
70736,CO-ADD:0289214,-4.45,n1c(C)onc1C(CCCN2)C2.Cl,0.0
70737,CO-ADD:0286564,-4.45,S(=O)(=O)(N(CC)CC)c1c(Br)ccc(c1)C(=O)Nc2cc(on2)C,0.0
70738,CO-ADD:0287630,-4.45,c(C(=O)c1ccc(cc1)Cl)(sc(c23)nc(c(C(=O)Nc4ccccc4)c2c5ccccc5Cl)C)c3N,0.0
70739,CO-ADD:0287342,-4.45,C(N(C1CCCCC1)C(C)=O)(C(=O)c(cccc2)c2C3=O)=C3N4CCCCCC4,0.0
70740,CO-ADD:0287328,-4.45,c1(onc(c2ccccc2)c1)c3ccc(cc3O)C,0.0
70741,CO-ADD:0291079,-4.45,N1(c2ccc(c(Cl)c2)C)CC(CC1=O)C(NCCCN(CC3)CCO3)=O,0.0
70742,CO-ADD:0299978,-4.45,c1(c2)c(cc(OC)c2NC(=O)NC3CCCCC3)c4c(cccc4)o1,0.0
70743,CO-ADD:0287019,-4.45,n1c(Cl)cc(c(NC(=O)Nc2ccccc2)c1Cl)C,0.0
70744,CO-ADD:0299931,-4.45,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cccc(Cl)c2C)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
70745,CO-ADD:0286850,-4.45,C(/SC=C1c2ccc(cc2)Cl)(=N/c3c(Cl)ccc(Cl)c3)\N1c4ccccc4,0.0
70746,CO-ADD:0277757,-4.45,N1(c2ccc(cc2Br)Br)C(=O)CC(N(CC3)CCN3CC)C1=O,0.0
70747,CO-ADD:0277982,-4.46,N1(CCCc(cccc2)c12)C(=O)CSc3nc(c4ccccc4)cc(c5ccccc5)n3,0.0
70748,CO-ADD:0278102,-4.46,C(=O)(N\N=C\c(cc1)ccc1Br)C(=O)NC(CC2(C)C)CC(N2)(C)C,0.0
70749,CO-ADD:0260017,-4.46,C(=O)(NC1CCCCCCC1)c2ccccc2O,0.0
70750,CO-ADD:0260098,-4.46,C1(C(OCCSCC)=O)=C(C)NC(NC1c2ccc(c(OCC)c2)O)=O,0.0
70751,CO-ADD:0283566,-4.46,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(CSCC(=O)Nc(ccc(c45)cccc4)c5)=O)n1,0.0
70752,CO-ADD:0283456,-4.46,c12c([nH]nc1C(C)(C)C)OC(=C(C#N)C23c4c(NC3=O)cccc4)N,0.0
70753,CO-ADD:0283505,-4.46,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c(ccc(c4OCC)O)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70754,CO-ADD:0283691,-4.46,[N+](=O)([O-])c1ccc(cc1)NC(=O)C(Cc2ccccc2)NC(c3ccccc3)=O,0.0
70755,CO-ADD:0283755,-4.46,c1(N2CCCC2)nc(NNC(CC)=O)cc(N3CCCC3)n1,0.0
70756,CO-ADD:0278245,-4.46,C12(O)C(c(c3N1C(C)=O)cccc3)=NNC(=S)N2,0.0
70757,CO-ADD:0277501,-4.46,C1(C(=O)OC(C)C)=C(C)NC(NC1c(cc2)cc(c2OC(F)F)OC)=O,0.0
70758,CO-ADD:0277737,-4.46,C1(C(OCCOC(C)C)=O)=C(C)NC(NC1c2cccc(cccc3)c23)=O,0.0
70759,CO-ADD:0260181,-4.46,C(=C/c(cc(I)c(c1[N+](=O)[O-])OC)c1)(/C2=O)\C(=O)NC(=O)N2,0.0
70760,CO-ADD:0259629,-4.46,c1(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCCCCCCCC)n1,0.0
70761,CO-ADD:0260166,-4.46,N1(c2ccc(c(Cl)c2)Cl)C(c3ccc(cc3)OCCC)Nc(c4C1=O)cccc4,0.0
70762,CO-ADD:0260143,-4.46,c1(c2ccccc2Cl)noc(C)c1C(=O)NCc(ccc(c34)OCO3)c4,0.0
70763,CO-ADD:0278169,-4.46,s1c(COc(ccc(c2C)C)c2)nnc1N,0.0
70764,CO-ADD:0278793,-4.46,C(/S\C(\C1=O)=C/c(c(cccc2)c2n3Cc(ccc(c4Cl)Cl)c4)c3)(=N\C(C)=O)\N1,0.0
70765,CO-ADD:0278345,-4.46,N1(CNc2ccccc2C)N=C(OC1=S)c3ccc(cc3)C,0.0
70766,CO-ADD:0258038,-4.46,S(c1ccccc1)(=O)(=O)N(CC(NCCSc2sc(c3n2)cccc3)=O)c4c(OC)ccc(Cl)c4,0.0
70767,CO-ADD:0277338,-4.46,n(c(cc1)ccc1[N+](=O)[O-])(c2C)c(C)cc2\C=C(/c3ccc(cc3)Br)\C#N,0.0
70768,CO-ADD:0259961,-4.46,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCc(cc4)ccc4C(O)=O)N3c5ccccc5,0.0
70769,CO-ADD:0285988,-4.46,O=C(C1=CC=NC=C1)N/N=C2C[C@@H]3[C@@H]([C@@H](C[C@@H]3COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C\2,0.0
70770,CO-ADD:0288471,-4.46,c1(C(CCN2)CC2)ncc(C)n1C(CC3)CCO3.Cl.Cl,0.0
70771,CO-ADD:0289200,-4.46,C(=O)(c1cccc(c1)OCC(CCCN2)C2)NC3CC3.Cl,0.0
70773,CO-ADD:0288494,-4.47,n(Cc1ccccc1)(c(C)cn2)c2CCC(CCCN3)C3.Cl.Cl,0.0
70774,CO-ADD:0289274,-4.47,C(CC(CC1)CCN1)(=O)NCc(cc2)ccc2C.Cl,0.0
70775,CO-ADD:0289300,-4.47,C(NC)(=O)C(C)(CCN1)CC1.Cl,0.0
70776,CO-ADD:0290732,-4.47,S(=O)(=O)(Oc1c(Br)cc(c(cccn2)c12)Br)c3c(OC)ccc(Br)c3,0.0
70777,CO-ADD:0290540,-4.47,n1(C)cnnc1SCC(=O)Nc2ccccc2F,0.0
70778,CO-ADD:0291916,-4.47,S(=O)(=O)(c1ccccc1[N+](=O)[O-])N(c2ccc(cc2OC)OC)CC(=O)N(CC3)CCO3,0.0
70779,CO-ADD:0285209,-4.47,C(=N/c(cc1)ccc1OCC)(/SC=C2c(cc3)ccc3[N+](=O)[O-])\N2CCO.Br,0.0
70780,CO-ADD:0290510,-4.47,c1(nnc(COc(cc2)ccc2C(C)(C)C)n1c3ccccc3)Sc4ncc(cc4[N+](=O)[O-])Br,0.0
70781,CO-ADD:0291344,-4.47,C1(=Cc(cc(Br)cc2Br)c2OC1=O)c3csc(N\N=C(\C4)/CCC4)n3,0.0
70782,CO-ADD:0299407,-4.47,N1(c2ccccc2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C(O)=O,0.0
70783,CO-ADD:0289127,-4.47,c(CCC(O)=O)(cn(n1)C)c1c2ccccc2,0.0
70784,CO-ADD:0291646,-4.47,c(c1c(s2)CCC1)(C3=O)c2N=C(SCC(=O)Nc4ccccc4[N+](=O)[O-])N3c5ccccc5,0.0
70786,CO-ADD:0287910,-4.47,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c(cc5OC)cc(c5OC)OC)cccc4,0.0
70787,CO-ADD:0287231,-4.47,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCCC2)C(=O)N4CCC(CC4)Cc5ccccc5,0.0
70788,CO-ADD:0287249,-4.47,N(C(=O)\C=C\c1cccs1)C(NCc2ccccn2)=S,0.0
70789,CO-ADD:0286877,-4.47,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)sc3c(ccc(c3)NC(CSc4sc(c5n4)cccc5)=O)n1,0.0
70790,CO-ADD:0299238,-4.47,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CC3)CCC3(C(N)=O)N4CCCCC4)C1=O,0.0
70791,CO-ADD:0286650,-4.47,n1(cc(cn1)Cl)C(=O)c(cccc2[N+](=O)[O-])c2,0.0
70792,CO-ADD:0286198,-4.48,c1(O2)c(c([nH]n1)C)C(C(C#N)=C2N)C(C)CC,0.0
70793,CO-ADD:0287763,-4.48,C1(C#N)(C#N)C(c2ccc(c(OCC)c2)OCCC)C(C3)C(C(C#N)=C1N)=CCN3C,0.0
70794,CO-ADD:0299369,-4.48,c12c(non1)nc(Nc(cc3)ccc3O)c(Nc(cc4)ccc4O)n2,0.0
70795,CO-ADD:0288079,-4.48,[N+](=O)([O-])c(ccc(c1C2SCc3c(cc(c(C)c3)C)CS2)O)c1,0.0
70796,CO-ADD:0284723,-4.48,c1(c(F)ccc(c1)[N+](=O)[O-])C(=O)N(CC2)CCN2c(cc3C)c(F)cc3[N+](=O)[O-],0.0
70797,CO-ADD:0284844,-4.48,c1(SCc2cc(Cl)ccc2Cl)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
70798,CO-ADD:0284860,-4.48,N1(C(=O)Cc(ccc(c2OC)OC)c2)C(O)(c3ccc(cc3)F)CC(C(F)(F)F)=N1,0.0
70799,CO-ADD:0284692,-4.48,n(CC(=O)NC(c1ccccc1)c2ccccc2)(c(C)nn3)n3,0.0
70800,CO-ADD:0259086,-4.48,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4ccc(cc4OC)OC)\C1=O)=NC(C)=C2C(C)=O,0.0
70801,CO-ADD:0258328,-4.48,c1(SCC(=O)Nc2ccccc2OC)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Cl)n1,0.0
70803,CO-ADD:0260140,-4.48,C(F)(F)(F)c(ccc(c1NC(C)=O)OCc2ccccc2)c1,0.0
70804,CO-ADD:0260156,-4.48,N1(c2cccc(Cl)c2)C(=O)C3C(C(\C(=C(/C4)\CCC4)\C35)C=C5)C1=O,0.0
70805,CO-ADD:0259774,-4.48,C(/Sc(c12)cccc1)(\N2C)=C(\C(=O)N=C3N(c4ccccc4)c5ccccc5)/S3,0.0
70806,CO-ADD:0259782,-4.48,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc3cc(C)ccc3F,0.0
70807,CO-ADD:0259791,-4.48,C1(NC(CSC2=Nc(cccc3)c3C(=O)N2C)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
70808,CO-ADD:0278628,-4.48,n1(c2ccccc2)c(SCC(=O)NC3CCCCC3)nnc1c4ccc(cc4)OC,0.0
70809,CO-ADD:0278798,-4.48,c1(cc(ccc1N(CC2)CCO2)[N+](=O)[O-])c([nH]nn3)n3,0.0
70810,CO-ADD:0278558,-4.48,C1(=O)N(c2ccc(cc2)Br)Sc(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c13,0.0
70811,CO-ADD:0283093,-4.48,N12C(S\C(=C\c(cc3)ccc3O)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)c(cc4Br)OC.CC(=O)O,0.0
70812,CO-ADD:0284022,-4.48,S(=O)(=O)(N1CCCCC1)c2c(Cl)ccc(c2)C(=O)NC(C)(C)CO,0.0
70813,CO-ADD:0278799,-4.49,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(ccc4c(cccc5C(F)(F)F)c5)o4)\C1=O,0.0
70814,CO-ADD:0260183,-4.49,C(=O)(c1ccc(c2c1)nccn2)N(CC3)CCN3c4ccccc4,0.0
70815,CO-ADD:0259320,-4.49,C(CCCC(O)=O)(=O)NCc1cccc(c1)CNC(CCCC(O)=O)=O,0.0
70816,CO-ADD:0259576,-4.49,N12C(S\C(=C\c(ccc(c34)OCO3)c4)\C1=O)=NC(C)=C(C(OCC)=O)C2c5c(OC)ccc(cccc6)c56,0.0
70817,CO-ADD:0259616,-4.49,S(=O)(=O)(Nc1ccccc1C(=O)Nc2sc(c3c2C(OCC)=O)CCCC3)c4cccc(nsn5)c45,0.0
70818,CO-ADD:0259298,-4.49,C(/S1)(=N/c2ccccn2)\C(Cl)=C(S1)Cl,0.0
70819,CO-ADD:0259626,-4.49,c1(SCc(cc2)ccc2I)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
70820,CO-ADD:0257649,-4.49,c1(c2cc(OC)c(OC)c1)C(=O)OC(c3ccc(cc3)NC(C)=O)=N2,0.0
70821,CO-ADD:0283865,-4.49,C(C(OCC=C)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4cc5c(cc4Cl)OCO5,0.0
70822,CO-ADD:0284449,-4.49,c1(NCc2nc(c3n2Cc4ccccc4)cccc3)nc(c5n1CCN6CCCCC6)cccc5,0.0
70823,CO-ADD:0283089,-4.49,c1(c2c3c(cccc3)cc(cccc4)c24)[nH]c(c(c5ccc(cc5)OC)n1)c6ccc(cc6)OC,0.0
70824,CO-ADD:0289363,-4.49,n1c(CCN)n[nH]c1c(ccc(F)c2F)c2,0.0
70825,CO-ADD:0288470,-4.49,c1(C2CC2)ncc(C)n1C(C3)CCN3.Cl.Cl,0.0
70826,CO-ADD:0288439,-4.49,n1(Cc2ccccc2)c(C)cnc1C(CC3)CCN3.Cl.Cl,0.0
70827,CO-ADD:0289263,-4.49,S(c1ccccc1)(=O)(=O)N2CCC(CCN)CC2.Cl,0.0
70828,CO-ADD:0288460,-4.5,c1(C(CCN2)C2)n(CCOC)c(cn1)C.Cl.Cl,0.0
70829,CO-ADD:0289304,-4.5,n1c(CCNC)noc1COc2ccc(Cl)cc2Cl.Cl,0.0
70830,CO-ADD:0288071,-4.5,c1(NC(CSc2ccccc2)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
70831,CO-ADD:0287739,-4.5,C(=C/c(ccc1c2cc(C)c(cc2[N+](=O)[O-])C)o1)(/C(C)=NN3c4cccc(Cl)c4)\C3=O,0.0
70832,CO-ADD:0287529,-4.5,c1(C(c2ccccc2)=O)sc3c(c(COC)cc(C)n3)c1NC(c4ccccc4)=O,0.0
70833,CO-ADD:0290765,-4.5,C1(=O)c2c(cccc2)NC(CCc3ccccc3)N1c4ccccc4,0.0
70834,CO-ADD:0290976,-4.5,S1(=O)(=O)c(cccc2)c2C(N(CCOC(=O)c3ccc(cc3)Cl)c4ccccc4Cl)=N1,0.0
70835,CO-ADD:0291861,-4.5,c1(NC(OCC)=O)nnc(Cc(ccc(c2OC)OC)c2)s1,0.0
70836,CO-ADD:0288075,-4.5,c1(cc(Br)cc(Br)c1O)C2SCc3c(cc(c(C)c3)C)CS2,0.0
70837,CO-ADD:0291870,-4.5,N1(C(=O)c2c(c3C1=O)c(ccc2)c(cc3)Br)c4c(C)n(nc4C)C,0.0
70838,CO-ADD:0291431,-4.5,N1(C)C(C)(O)C2(OC1=O)CCCCC2,0.0
70839,CO-ADD:0291561,-4.5,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(c3ccccc3)=O)C2c4cccs4,0.0
70840,CO-ADD:0291513,-4.5,c(nc(c1ccc(cc1)C)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)C4CCCCC4,0.0
70841,CO-ADD:0291808,-4.5,C(/SC(N1c2ccc(cc2)C)=O)(\C1=O)=C(\c3c(N4)cccc3)/C4=O,0.0
70842,CO-ADD:0286670,-4.5,c1(C(=O)Nc(cc2)ccc2OCC)c(C)c(sc1NC(CCC(O)=O)=O)c3ccccc3,0.0
70843,CO-ADD:0286279,-4.5,c1(O)c(Br)cc(c(cccn2)c12)CN(CC3)CCO3,0.0
70844,CO-ADD:0299565,-4.5,C1(C(=O)OCC(C)C)\C(=N\NC(=O)C(=O)Nc2ccccc2C)\CC(C(=O)OCC(C)C)\C(=N\NC(=O)C(=O)Nc3ccccc3C)\C1,0.0
70845,CO-ADD:0299558,-4.51,c12c(ccc(cccc3)c13)SCCC2=O,0.0
70846,CO-ADD:0287543,-4.51,C(C#N)(C(c1ccc(c2c1)OCO2)C3=C(N4c5ccc(cc5F)Br)CC(C)(C)CC3=O)=C4N,0.0
70847,CO-ADD:0259107,-4.51,C(=C\c(ccc1c2ccc(cc2[N+](=O)[O-])OC)o1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
70848,CO-ADD:0258597,-4.51,n1(cnc(C(NC=N2)=O)c12)C3OC(C(O)C3O)CCl,0.0
70849,CO-ADD:0284795,-4.51,c1(\N=C/c(ccc2c3ccc(cc3)Br)o2)sc(c4c1C(=O)NCc5ccccc5)CCCC4,0.0
70850,CO-ADD:0283883,-4.51,C1(=O)NC(C)=CC(C)=C1N,0.0
70851,CO-ADD:0283956,-4.51,c(c1c(s2)CCC1)(C(=O)N(C)C(=N3)S)c23,0.0
70852,CO-ADD:0284335,-4.51,C(=O)(c1cccnc1Oc(cc2)ccc2Cl)Nc3c(cccc3Cl)Cl,0.0
70853,CO-ADD:0259975,-4.51,C(=O)(Nc(cc1)ccc1I)C2C3CCCC2C3c4ccccc4,0.0
70854,CO-ADD:0260079,-4.51,N1(Cc(cc2)ccc2S(N)(=O)=O)\C(=N\c3ccccc3)\SC=C1c4ccc(c(Br)c4)OC.Br,0.0
70855,CO-ADD:0260016,-4.51,C(=O)(Nc(ccc(c12)OCCO1)c2)c3ccccc3O,0.0
70856,CO-ADD:0259361,-4.51,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c(cc2OC)cc(c2OC)OC,0.0
70857,CO-ADD:0259937,-4.51,C1(=S)N(c(cccc2C(F)(F)F)c2)C3(\C(=N\c4ccccc4)\N1)CCCCC3,0.0
70858,CO-ADD:0258528,-4.51,n1(N)c(CC)nnc1N\N=C\c2ccccc2F.Cl.Cl,0.0
70859,CO-ADD:0278823,-4.51,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(cc4OC)cc(c4O)Br,0.0
70860,CO-ADD:0284133,-4.51,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c3cccc(O)c3)=O,0.0
70861,CO-ADD:0278981,-4.51,N1(CC(CC1C(=O)Nc2cc(C)ccc2C)O)C(=O)OC(C)(C)C,0.0
70862,CO-ADD:0283450,-4.51,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c3cc(OC)ccc3OC)\N2c4ccccc4,0.0
70863,CO-ADD:0279137,-4.51,C(=C\c(cc1I)cc(c1OCc2ccccc2)I)(/C3=O)\C(=O)NC(=O)N3,0.0
70864,CO-ADD:0283370,-4.51,c1(C(c2ccccc2)=O)oc(c3c1N)ccc(OC)c3,0.0
70865,CO-ADD:0259295,-4.51,N12C(C)(C(OC1=O)(C)CC3)C3C(C)(C)N2c4ccccc4,0.0
70866,CO-ADD:0259303,-4.51,C(/C(=O)C(C)(C)C)=C(/N)\c(cc1)ccn1,0.0
70867,CO-ADD:0259291,-4.51,n(c(N)cc(n1)O)c1SCc2c(C)ccc(cccc3)c23,0.0
70868,CO-ADD:0259310,-4.51,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Br)c4sc(c5c4C#N)CCCC5,0.0
70869,CO-ADD:0283396,-4.51,N12C(S\C(=C\c(ccc3c(ccc(c4C(O)=O)Cl)c4)o3)\C1=O)=NC(C)=C(C(C)=O)C2c5ccc(cc5OC)OC,0.0
70870,CO-ADD:0277676,-4.51,c1(cccc(F)c1F)C(=O)N(CC2)CCN2C(=O)c3cccc(F)c3F,0.0
70871,CO-ADD:0278445,-4.51,c1(C2=O)c(N(C=C2C(OCC)=O)CC)sc(C(OCC)=O)c1C,0.0
70872,CO-ADD:0278101,-4.52,C(C(c1ccccc1)=O)(C2c3ccccc3)=NNC2C(OCC)=O,0.0
70873,CO-ADD:0283468,-4.52,c1(c2cccc1)c(Cl)ccn2,0.0
70874,CO-ADD:0283749,-4.52,C1(=NC2=O)C(=Cc(cccc3)c3N1c(cccc4C(F)(F)F)c4)C(N2C)=O,0.0
70875,CO-ADD:0289171,-4.52,N1(C)CCC(CC1)CC(O)=O,0.0
70876,CO-ADD:0288746,-4.52,c(c1C)nc(n1C(CCN2C(c3oc([N+](=O)[O-])cc3)=O)CC2)C,0.0
70877,CO-ADD:0288988,-4.52,N1(c2c(cc(cn2)C(F)(F)F)Oc(ccc(Cl)c3)c34)C4=NCC1,0.0
70878,CO-ADD:0288773,-4.52,C12(CCN(CC1)C(=O)c3oc([N+](=O)[O-])cc3)CC(CCO2)N4CCOCC4,0.0
70879,CO-ADD:0291944,-4.52,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(NCCNC(=O)c4ccc(cc4)CN(CCc(c56)cccc5)C6)=O)C2,0.0
70880,CO-ADD:0291721,-4.52,c12c(C(NC(=O)N1C)=O)n(c(SCCCCCC)n2)Cc(cc3)ccc3C,0.0
70881,CO-ADD:0289312,-4.52,n1(Cc2ccccc2)cnnc1CC(CC3)CCN3,0.0
70882,CO-ADD:0289248,-4.52,n1c(CCOCc2ccccc2)noc1C(C3)CN3.Cl,0.0
70883,CO-ADD:0289306,-4.52,n1c(COC)onc1C(CCCN2)C2.Cl,0.0
70884,CO-ADD:0289258,-4.52,n1(CC2CC2)cnnc1C3CCCCN3.Cl.Cl,0.0
70885,CO-ADD:0291154,-4.52,c1(C2c(cc3)ccc3[N+](=O)[O-])c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
70886,CO-ADD:0291219,-4.52,c1(c2ccc(cc2)NC(=O)c(ccc(c3[N+](=O)[O-])OC)c3)sc4c(ccc(C)c4)n1,0.0
70887,CO-ADD:0290980,-4.52,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3S(=O)(=O)N(CCOC(=O)c4ccc(cc4)Br)c5ccc(cc5)C)=N1,0.0
70888,CO-ADD:0291020,-4.52,S(=O)(=O)(N(CC1)CCN1C)c2ccc(c(cccc3)c23)Cl,0.0
70889,CO-ADD:0290495,-4.52,N1(Cc(cc2)ccc2OC)\C(=N/c3ccccc3)\SC(C(NCCc(cc4)ccc4S(N)(=O)=O)=O)CC1=O,0.0
70890,CO-ADD:0291927,-4.52,S(=O)(=O)(Nc(cc1)ccc1S(=O)(=O)Nc2sccn2)c3ccccc3[N+](=O)[O-],0.0
70891,CO-ADD:0291570,-4.52,N1(C2c3ccccc3Cl)C(S\C(=C\c(ccc4c5cc(Cl)ccc5Cl)o4)\C1=O)=NC(C)=C2C(OC)=O,0.0
70892,CO-ADD:0291610,-4.52,N1(C(C)=O)C(c2ccc(cc2)C)OC(c3cccc(Br)c3)=N1,0.0
70893,CO-ADD:0292162,-4.53,N1(C(=O)c(cc2)ccc2[N+](=O)[O-])c3c(cccc3)C(CC1(C)C)(C)c4ccc(cc4)OC,0.0
70894,CO-ADD:0285674,-4.53,C(C(c1ccccc1)=O)C(=O)Nc2ccccc2OC,0.0
70895,CO-ADD:0291591,-4.53,n1c(c2ccc(cc2)Cl)csc1\C(\C#N)=C\c3ccccc3C,0.0
70896,CO-ADD:0285613,-4.53,n1(c2c(nc1SCC)cccc2)CC(=O)N3CCCCC3,0.0
70897,CO-ADD:0289223,-4.53,C(=O)(OC(C)(C)C)N(CCOc(ccc(c(cc1)ccn1)c2)c23)C3,0.0
70898,CO-ADD:0286523,-4.53,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)S\C(\NCCc(ccc(c3OC)OC)c3)=N/c(cccc4C(F)(F)F)c4,0.0
70900,CO-ADD:0286508,-4.53,S(=O)(=O)(c1c(OC)ccc(OC)c1)n2c(C)cc(C)n2,0.0
70901,CO-ADD:0286605,-4.53,C1(C(=O)NNC(=O)c2cccc(I)c2)=Cc3c(OC1=O)cccc3,0.0
70902,CO-ADD:0290844,-4.53,[nH]1c(C)nnc1SCC(=O)Nc2cc(on2)C,0.0
70903,CO-ADD:0291754,-4.53,C(/N)(\c(cccn1)c1)=N/OC(=O)c2cccc(OC)c2,0.0
70904,CO-ADD:0286937,-4.53,c12c(ccc3c1OC(=O)C=C3C)occ2OC(C)=O,0.0
70905,CO-ADD:0290603,-4.53,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5cc6c(cc5Cl)OCO6)cccc4.Cl,0.0
70906,CO-ADD:0291601,-4.53,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(=O)NC4=C(C)N(N(c5ccccc5)C4=O)C)c1Cl,0.0
70907,CO-ADD:0258558,-4.53,c1(NC(C)(C)C)nc(N\N=C\c2ccccc2F)nc(NCc3ccccc3)n1,0.0
70908,CO-ADD:0259079,-4.53,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4OC)OCc5cccc(C)c5)c4)\C1=O,0.0
70909,CO-ADD:0258615,-4.53,C1(C(=O)OC(C)C)=C(C)NC(=O)NC1c2ccc(cc2)CC,0.0
70910,CO-ADD:0258527,-4.53,n12c(nc(C)cc1O)nnc2c3ccccc3OC,0.0
70911,CO-ADD:0258296,-4.54,n(c(c1)c2ccc1C(O)=O)c(c(cc3)ccc3c4ccccc4)c(n2)c(cc5)ccc5c6ccccc6,0.0
70912,CO-ADD:0283253,-4.54,c1(C(=O)O\N=C(/C)\c2ccc(cc2)F)c(Cl)c3c(cccc3)s1,0.0
70913,CO-ADD:0259331,-4.54,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCOc(ccc(c34)cccc3)c4)c1C,0.0
70914,CO-ADD:0258331,-4.54,c1(SCC(=O)Nc2ccccc2OC)sc3c(ccc(c3)\N=C\c(cc4)ccc4[N+](=O)[O-])n1,0.0
70915,CO-ADD:0260007,-4.54,C12(c(cccc3)c3C(c4ccc(cc4)C)(c5ccc(cc5)C)S1)N(c6cccc(Cl)c6)N=C(C(C)=O)S2,0.0
70916,CO-ADD:0258288,-4.54,n1c(c(cc2)ccc2C(O)=O)[nH]c(c(cc3)ccc3c4ccccc4)c1c(cc5)ccc5c6ccccc6,0.0
70917,CO-ADD:0259065,-4.54,C(OC(N)=C(C1c2cccc(cccc3)c23)C#N)(NC(=O)NC4=O)=C14,0.0
70918,CO-ADD:0259129,-4.54,c1(C#N)c(C)c(C)c(nc1SCC(=O)c(cc2)ccc2C(=O)CSc3nc(C)c(c(C)c3C#N)C)C,0.0
70919,CO-ADD:0279193,-4.54,N1(c2ccccc2)C(=O)CC(N(CCc3ccccc3)C(CC)=O)C1=O,0.0
70920,CO-ADD:0277661,-4.54,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Nc(cc4)ccc4OCC,0.0
70921,CO-ADD:0277797,-4.54,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)Nc5cccc(C)c5C,0.0
70922,CO-ADD:0277821,-4.54,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3OC)\N2C4CCCC4,0.0
70923,CO-ADD:0278752,-4.54,N1(c2ccc(cc2)Cl)C(=O)\C(\SC1=O)=C/c(ccc3c4c(Cl)ccc(c4)[N+](=O)[O-])o3,0.0
70924,CO-ADD:0278760,-4.54,n(CC(=O)Nc1ccccc1)(c(C)nn2)n2,0.0
70925,CO-ADD:0284520,-4.54,N1(c(cccc2C(F)(F)F)c2)C(C)(CC(NC1=S)(C)C)c3ccc(cc3O)O,0.0
70926,CO-ADD:0277677,-4.54,C(=O)(N(CC1)CCN1c(cc2C)c(F)cc2C(C)=O)c3c(cccc3F)F,0.0
70927,CO-ADD:0283302,-4.54,N1(CC=C)C(=O)C(F)=CN(CC=C)C1=O,0.0
70928,CO-ADD:0291929,-4.54,c1(ccc(Br)o1)C(=O)Nc(cc2)ccc2C(OC)=O,0.0
70929,CO-ADD:0292041,-4.54,s1c(c2ccc(cc2)F)nnc1NC(=O)c3ccc(cc3)Br,0.0
70930,CO-ADD:0299199,-4.54,n1c(CN(C)C(c2ccccc2)=O)scc1c3ccccc3,0.0
70931,CO-ADD:0290588,-4.54,C(C(=O)C(C)(C)C)C(C)(O)c1ccc(cc1)Cl,0.0
70932,CO-ADD:0299663,-4.55,c1(C(=O)c2ccc(cc2)C)oc(c3c1NC(C)=O)cccc3,0.0
70933,CO-ADD:0285434,-4.55,c1(NC(=O)c2cccc(C)c2)n(c3ccccc3)ncc1C(=O)N4CCCCCC4,0.0
70934,CO-ADD:0290614,-4.55,c1(c(C)on2)c2CC(C)(O)C(C(C)=O)C1c(cccc3[N+](=O)[O-])c3,0.0
70935,CO-ADD:0290581,-4.55,C(F)(F)(C(F)F)C(O)(c1ccccc1)CC(=O)\C=C(/C)\C,0.0
70936,CO-ADD:0290737,-4.55,S(=O)(=O)(Oc1cccc(ccc(C)n2)c12)c3c(C)ccc(Cl)c3,0.0
70937,CO-ADD:0290401,-4.55,C(=O)(c1c2cccc1C)OC(=N2)c(cccc3[N+](=O)[O-])c3,0.0
70938,CO-ADD:0290417,-4.55,S(C)(=O)(=O)N(Cc(cc1)ccc1C(=O)N(CC2)CCO2)c3ccc(c(C)c3)C,0.0
70939,CO-ADD:0290707,-4.55,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)Br)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
70940,CO-ADD:0285176,-4.55,S1(=O)(=O)c(cccc2)c2C(N(CCC#N)\N=C\c(cc3)ccc3OC)=N1,0.0
70941,CO-ADD:0285145,-4.55,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)S\C(\NC)=N\c(ccc(c34)OCO3)c4,0.0
70942,CO-ADD:0284976,-4.55,C(C(=O)OC1CCCC1)(C2c3ccc(cc3)F)=C(C)NC(CC(c4ccccc4)CC5=O)=C25,0.0
70943,CO-ADD:0285016,-4.55,c1(C2c(cc3)ccc3[N+](=O)[O-])c(CCN2C(=O)c4ccc(c(Cl)c4)Cl)c5c(cccc5)[nH]1,0.0
70944,CO-ADD:0285241,-4.55,c1(c(C)onc1c2ccccc2Cl)C(=O)N(CC3)CCN3c(cc4)c(Cl)cc4[N+](=O)[O-],0.0
70945,CO-ADD:0285873,-4.55,C1(=S)N(c2ccccc2)C3(\C(=N/CC(OCC)=O)\N1)CCCCC3,0.0
70946,CO-ADD:0285689,-4.55,c12c(c3c(cccc3)[nH]1)nnc(SCCN4CCCCC4)n2,0.0
70947,CO-ADD:0287926,-4.55,C1(c(c(C(=O)c(cccc2)c12)ccc3)c3N(C4=O)C)=C4NC5CCCCC5,0.0
70948,CO-ADD:0287270,-4.55,c(N1CCCC1)(cc2C)c(F)cc2C(C)=O,0.0
70949,CO-ADD:0286666,-4.55,S(=O)(=O)(c1ccc(cc1)OC)N(Cc2ccccc2)CC(=O)Nc3ccccc3OC,0.0
70950,CO-ADD:0299474,-4.55,N1(c2ccc(cc2)CC)N=C(CC1=O)C,0.0
70951,CO-ADD:0285504,-4.55,c(c1c([nH]2)cccc1)(C3)c2CCN3C(CCCCl)=O,0.0
70952,CO-ADD:0290332,-4.55,c12c(ccc(c1)c(ccc(c34)N=C(OC3=O)CCCCCCCCC)c4)N=C(OC2=O)CCCCCCCCC,0.0
70953,CO-ADD:0291612,-4.56,C(=C\c(cccn1)c1)(/C=C(O2)c(cc3)ccc3C(C)C)\C2=O,0.0
70954,CO-ADD:0294060,-4.56,N(C(C)(C)CC12C=CC(C=C1)=O)=C2SCc3ccccc3,0.0
70955,CO-ADD:0294406,-4.56,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)Nc(cc4)ccc4Br)c1Cl,0.0
70956,CO-ADD:0258537,-4.56,C(=C\c(ccc1c(cc2)c(OC)cc2[N+](=O)[O-])o1)(/C(=O)NC(N3)=S)\C3=O,0.0
70957,CO-ADD:0283608,-4.56,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OCC)cc(c5O)Br,0.0
70958,CO-ADD:0283664,-4.56,C1(C(OCCOc2ccccc2)=O)=C(C)NC(NC1c3cccc(O)c3)=O,0.0
70959,CO-ADD:0284234,-4.56,c(CC(NC(=O)OC(C)(C)C)C(=O)NC1CCCCCC1)(c2c([nH]3)cccc2)c3,0.0
70960,CO-ADD:0283674,-4.56,C1=C(NCCN=C1c2ccccc2O)C(F)(F)F,0.0
70961,CO-ADD:0284387,-4.56,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c3ccccc3OC,0.0
70962,CO-ADD:0258505,-4.56,c1(N(C)C)nc(N\N=C\c(ccc2c3ccc(cc3[N+](=O)[O-])OC)o2)nc(Nc(cc4)ccc4F)n1,0.0
70963,CO-ADD:0257988,-4.56,N(C(=O)COC(CSc1sc(c2n1)cccc2)=O)(c3c4cccc3)c5c(S4)cccc5,0.0
70964,CO-ADD:0257382,-4.56,c1(nc(c2n1CC(=O)N\N=C/c3ccccc3Cl)cccc2)c4nonc4N,0.0
70965,CO-ADD:0257447,-4.56,C1=C(NCCN(CC)CC)C2(OC1=O)CCCCC2,0.0
70966,CO-ADD:0257480,-4.56,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)NCc(cc3)ccc3OC,0.0
70967,CO-ADD:0259051,-4.56,C(/C1)(=C/c(ccs2)c2)\C(=O)\C(\CN1Cc3ccccc3)=C\c(ccs4)c4,0.0
70968,CO-ADD:0277343,-4.56,C(F)(F)(F)c(ccc(c1NC(c2ccccc2)=O)Oc(cc3)ccc3C(C)(C)C)c1,0.0
70969,CO-ADD:0284001,-4.56,C(C(=O)OCc1ccccc1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)Cl)C3c5cccc(O)c5,0.0
70970,CO-ADD:0283130,-4.56,C1(N(CC2)CCO2)=NC3(Cc(cccc4)c14)CCCCC3,0.0
70971,CO-ADD:0284161,-4.56,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C/c(ccc4c5ccc(cc5[N+](=O)[O-])Cl)o4,0.0
70972,CO-ADD:0278819,-4.56,N1(c(cc2)ccc2C3=Nc(c4C(=O)O3)cccc4)C(=O)c(c5C1=O)ccc(C(O)=O)c5,0.0
70973,CO-ADD:0278579,-4.56,C(/C#N)(=C/c(ccc1c(cc2)ccc2C(O)=O)o1)\C(=O)Nc(ccc(c3C)C)c3,0.0
70974,CO-ADD:0258497,-4.57,c1(non2)c2nc(Nc3ccccc3OC)c(N\N=C(/C)\c4c(C)non4)n1,0.0
70975,CO-ADD:0258562,-4.57,C(=C\c1ccccc1OC(c2ccccc2)=O)(/C3=O)\Sc(c34)cccc4,0.0
70976,CO-ADD:0278713,-4.57,C(/C#N)(=C/c(ccc(c1OC)OCc2cccc(C)c2)c1)\C(=O)Nc(cc3)ccc3OC,0.0
70977,CO-ADD:0283586,-4.57,COc(cc1)ccc1C(N2C)=NN([C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)C2=S,0.0
70978,CO-ADD:0257728,-4.57,C1(C)(OCCCO1)CC(=O)N\N=C\c(ccc(c2OC)OCc3ccc(cc3Cl)Cl)c2,0.0
70979,CO-ADD:0278926,-4.57,C1(C2c3ccc(c(OC)c3)OC)=C(NCCN=C1c4ccccc4)C(N2c5ccccc5)=O,0.0
70980,CO-ADD:0277968,-4.57,C(/C(C)=O)(=N/Nc1ccccc1Cl)\Sc2cccc(cccn3)c23,0.0
70981,CO-ADD:0259412,-4.57,n1(c2cccc(c2)\C=C/C(O)=O)cnnn1,0.0
70982,CO-ADD:0284456,-4.57,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c(cc3)cc(c3OC(=O)c4cccs4)OC,0.0
70983,CO-ADD:0257573,-4.57,N1(C2c3cccs3)C(S\C(=C\c(ccc(c4OC)OCC)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
70984,CO-ADD:0257357,-4.57,C(=C\c(ccc1c2cccc(Cl)c2)o1)(/C(=O)c3c4cccc3)\C4=O,0.0
70985,CO-ADD:0291176,-4.57,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c5c4C#N)CCCC5)c1Cl,0.0
70986,CO-ADD:0290808,-4.58,C1(C2c3ccccc3)=C(c4c(cccc4)C1=O)N(C(CC(C)(C)CC5=O)=C25)CCCC,0.0
70987,CO-ADD:0286989,-4.58,C1(=O)N(c2ccc(cc2)C)C(C)=CC(C)=C1C#N,0.0
70988,CO-ADD:0286285,-4.58,N1(C)C(=O)c2c(N=C1SCC(=O)Nc3ccccc3OC(C)C)cccc2,0.0
70989,CO-ADD:0289087,-4.58,c1(C(=O)Nc2cccc(C)c2)nnc(Oc(ccc3C(OC)=O)cc3)s1,0.0
70990,CO-ADD:0299848,-4.58,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(cc3OC)cc(c3O)OC)\C1=O)=O,0.0
70991,CO-ADD:0289137,-4.58,c(C(=O)Nc(ccc(F)c1F)c1)(nnc2C(OCC)=O)s2,0.0
70992,CO-ADD:0300072,-4.58,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(ccc3[N+](=O)[O-])s3)\C1=O)=O,0.0
70993,CO-ADD:0285153,-4.58,c(C#N)(c(\C(\C#N)=C\c(c(cccc1)c1n2Cc3ccccc3F)c2)nn4c5ccccc5)c4N,0.0
70994,CO-ADD:0290479,-4.58,C(/S(CCC)(=O)=O)(\S(CCC)(=O)=O)=C(/Nc(ccc(c12)cccc1)c2)\Nc(ccc(c34)cccc3)c4,0.0
70995,CO-ADD:0287463,-4.58,C(C#N)(C(c(ccs1)c1)C2=C(N3c4ccccc4C#N)CC(C)(C)CC2=O)=C3N,0.0
70996,CO-ADD:0290504,-4.58,S(=O)(=O)(N(CC)CC)c1cc(ccc1N(CC2)CCN2c3ccccc3)[N+](=O)[O-],0.0
70997,CO-ADD:0290712,-4.58,S(=O)(=O)(c1ccc2c(ccc(OC)c2)c1)N(CC3)CCN3C,0.0
70998,CO-ADD:0290384,-4.58,C(C#N)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CC(C)(C)CC4=O)=C14)c5ccc(c(Cl)c5)C,0.0
70999,CO-ADD:0285866,-4.58,c1(NC(=O)c(c2)cc(cc2[N+](=O)[O-])[N+](=O)[O-])sc(c3c1C(OC)=O)CCCCCC3,0.0
71000,CO-ADD:0288949,-4.58,n12c(c3c(Oc(cc4S(N)(=O)=O)c1cc4)cccc3)cc(CN5CCCCC5)n2,0.0
71001,CO-ADD:0288615,-4.58,C(=O)(OC(C)(C)C)N(CC1Cn2c(C)cnc2c3ccncc3)C1,0.0
71002,CO-ADD:0291241,-4.58,c(nc1C)(N\C(\N)=N\C(c2ccccc2)=O)nc3c1cc(cc3C)C,0.0
71003,CO-ADD:0291259,-4.58,C1(c(c(NC1=O)ccc2)c23)=C(C(O)=O)CC34c5c(NC4=O)cccc5,0.0
71004,CO-ADD:0299296,-4.58,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)c(cc4OC)cc(c4OC)OC)cccc3,0.0
71005,CO-ADD:0293646,-4.58,C(N)(C#N)C(N)=O,0.0
71006,CO-ADD:0294338,-4.58,C12(c3c(NC1=O)ccc(c3)[N+](=O)[O-])C(C#N)=C(N)Oc([nH]n4)c2c4C(C)C,0.0
71007,CO-ADD:0293647,-4.58,c1(Cl)c(cccc1NN)Cl.Cl,0.0
71008,CO-ADD:0294415,-4.58,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Oc(ccc(c4C)Cl)c4)cc5[N+](=O)[O-])c5)c1Cl,0.0
71009,CO-ADD:0293639,-4.59,n1c2c(oc1CCSc(cc3)ccc3Br)cccc2,0.0
71010,CO-ADD:0293661,-4.59,[N+](=O)([O-])c1cccc(\C=N\NC(=O)c2cc(Cl)cc(Cl)c2O)c1O,0.0
71011,CO-ADD:0136727,-4.59,N(c(ccc1CC(O)=O)cc1)=Nc2c3c(cccc3)cc(C(O)=O)c2O,0.0
71012,CO-ADD:0136823,-4.59,Clc(ccc1OC)cc1NC(=O)Oc(ccc(c2)OCCCC)c2,0.0
71013,CO-ADD:0135640,-4.59,n1ccc(CCn2cccc2)cc1,0.0
71014,CO-ADD:0137041,-4.59,o1c(CC)c(C(=O)c(cc(c2O)Br)cc2Br)c(ccc3)c1c3,0.0
71015,CO-ADD:0137081,-4.59,O=C(C=C(CC[C@]([C@@]1([C@@H](O)C2)F)([C@](C[C@H]([C@@]34C(CO)=O)OC(c5ccccc5)(C)O3)([C@]24C)[H])[H])[C@@]16C)C=C6,0.0
71016,CO-ADD:0135673,-4.59,N1(C(CCCCC)=O)CCCC1,0.0
71017,CO-ADD:0136308,-4.59,N1=CN([H])c(c(C1=O)n2)n(Cc(ccc([N+](=O)[O-])c3)c3)c2,0.0
71018,CO-ADD:0136276,-4.59,s1cccc1[As](O)(c(ccc2)s2)=O,0.0
71019,CO-ADD:0136317,-4.59,n12c(c3c(cc1)cccc3)cc(C(N)=O)c2c4ccccc4,0.0
71020,CO-ADD:0136245,-4.59,O1c(cccc2)c2C(NC(OCC(C)C)=O)c3c1cccc3,0.0
71021,CO-ADD:0135597,-4.59,n1nnn(C(CC(C)(C)C)(C)C)c1N,0.0
71022,CO-ADD:0135637,-4.59,n1c(N)nc(SCCCC)cc1C,0.0
71023,CO-ADD:0135645,-4.59,c1nccc(C=Cc(ccnc2)c2)c1,0.0
71024,CO-ADD:0135686,-4.59,N1(C)CCCC1C(=CN2[H])C=CC2=O,0.0
71025,CO-ADD:0135702,-4.6,N1([H])C(O)=CC(N=C1SCC)=O,0.0
71026,CO-ADD:0135630,-4.6,c1c(C(NC(C)CC)=O)cc(C)cc1,0.0
71027,CO-ADD:0136709,-4.6,n1nc(C(N)=O)c(c(ccc2c(c(C(=O)N)nn3)s3)cc2)s1,0.0
71028,CO-ADD:0136717,-4.6,N1(C)C(C(C(C23)N(C)C4c(ccc5)c2c5)c(ccc6)c(C13)c6)C4[N+](=O)[O-],0.0
71029,CO-ADD:0136901,-4.6,[H][C@](CC(=NO)CC1)(CC[C@]([C@@]2([C@](O)(C)C3)[H])([C@](CC4)([C@@]3(C)[C@H]4C(=NO)C)[H])[H])[C@]12C,0.0
71030,CO-ADD:0135848,-4.6,N1=C(N)N=C(C(C1=O)=N2)N([H])N2c(cccc3)c3,0.0
71031,CO-ADD:0135737,-4.6,n1c(c(ccc2OC)c(C)cc1C)n2,0.0
71032,CO-ADD:0136474,-4.6,c1n(C(c2ccccc2)(c3ccccc3)C#C)cnc1,0.0
71033,CO-ADD:0136450,-4.6,Clc(cc1NC(Nc(cc(C)o2)n2)=O)ccc1C,0.0
71034,CO-ADD:0136650,-4.6,S=C(N([H])C(C(=C/c(ccc(N(CC)CC)c1)c1)C2=O)=O)N2[H],0.0
71035,CO-ADD:0137227,-4.6,CC12C(OC(CC(C=C/C(=CCC(O[H])C=C/C(/C)=CC1N([H])C(=O)C(=O)C)/C)O[H])C(C)C2=O)=O,0.0
71037,CO-ADD:0137169,-4.6,N1(C)CCc2c([C@@]1([C@@]3(c4c(c(OC)c(OC)cc4)C(=O)O3)[H])[H])c(OC)c(c5c2)OCO5,0.0
71038,CO-ADD:0137223,-4.6,s1cccc1[C@@]2([H])OC(C(O)C(O)C(O[C@H](c(cc3c(c4)OCO3)c45)[C@@](CO6)([C@](C6=O)([C@@H]5c(cc(OC)c7O)cc7OC)[H])[H])O8)C8CO2,0.0
71039,CO-ADD:0136395,-4.6,O(c1ccc(N)c([N+](=O)[O-])c1)c2ccc(N)c([N+](=O)[O-])c2,0.0
71040,CO-ADD:0137154,-4.6,c1c([N+](=O)[O-])n(C)c(C=C(C2)/C(c3c2ccc(OCCN(C)C)c3)=O)n1.S(O)(=O)(O)=O,0.0
71041,CO-ADD:0136964,-4.6,C1Oc(cc(C(Nc(c(cccc2)c2cc3)c3)=O)c(Br)c4)c4O1,0.0
71042,CO-ADD:0136636,-4.6,n1c(c(ccc1)cc(NC(Nc(cc(ccc2)c(c3)n2)c3)=O)c4)c4,0.0
71043,CO-ADD:0136868,-4.6,c1c(C=C(/C#N)P(OCC)(OCC)=O)ccc(Br)c1,0.0
71044,CO-ADD:0136928,-4.6,C1(N)=NC(c2ccc(Cl)cc2)N(c3ccc(S(N)(=O)=O)cc3)C(N)=N1,0.0
71045,CO-ADD:0137008,-4.6,c12c(C(CN(C)C)=CC(=O)N1C)cc3c(N(CO4)C(=O)C=C3C)c24.Cl,0.0
71046,CO-ADD:0136937,-4.6,O=C1C(OC)=CC(C)C(CC(C(C)(C2C3=O)C(CC4O)C(C)=C3OC)O4)C12C,0.0
71047,CO-ADD:0135690,-4.6,[H]n1cccc1C(=O)c(cccc2)c2,0.0
71048,CO-ADD:0135730,-4.6,N12C(C=CC(C)=C1)=NC(=CC2=O)Cl,0.0
71049,CO-ADD:0135811,-4.6,c1c[n+]([O-])c(S(CC#N)(=O)=O)cc1,0.0
71050,CO-ADD:0136487,-4.6,C1CCC(=C(S[H])SN2C(N)(CCCC3)C3)C2=C1,0.0
71051,CO-ADD:0136511,-4.6,ClCC1C(O)C(O)C(N(C=CC(N)=N2)C2=O)O1,0.0
71052,CO-ADD:0136663,-4.6,C(Nc1cc(OC)cc(cccn2)c12)C(CC)NC3CCCCC3,0.0
71053,CO-ADD:0136865,-4.61,C1(C)(C)CC(Nc2ccc(Nc3ccccc3)cc2)CC(C)(C)N1,0.0
71054,CO-ADD:0136993,-4.61,S1C(=N/C(N(C)C)=S)N(Cc2occc2)C(=S)S1,0.0
71055,CO-ADD:0136370,-4.61,N(=Cc(c(OC)c(CCO1)c1c2OC)c2OC)/NC(=O)N,0.0
71056,CO-ADD:0137260,-4.61,O=C(C(=C(/C1(C(C(=C/C2)C)C=CC(C(C(CC3C)C)OC4OC(C(OC(=O)C)C(OC5CCC(OC6OC(C(OC7CCC(O[H])C(C)O7)C(O[H])C6)C)C(C)O5)C4)C)C13)C)O)C(O8)=O)C89C(C=C(/C2OC%10OC(C(NC(=O)OC)C(C)([N+](=O)[O-])C%10)C)C)C(C=C(C=O)C9)O[H],0.0
71057,CO-ADD:0135941,-4.61,n1cn([H])c(c2ccccc2)c1c(cccc3)c3,0.0
71058,CO-ADD:0136045,-4.61,c1(c2ccccc2)nnc(c3ccccc3)nn1,0.0
71059,CO-ADD:0135798,-4.61,c1(CCC(O)=O)cc(OC)no1,0.0
71060,CO-ADD:0135735,-4.61,[H]n(cc(CC(=NO)C(O)=O)n1)n1,0.0
71061,CO-ADD:0135847,-4.61,Clc(ccc(Cc(c(O)cc(O)c1)c1)c2)c2,0.0
71062,CO-ADD:0135855,-4.61,O1C(C)CC(C)OP1(OCCC#N)=O,0.0
71063,CO-ADD:0135991,-4.61,O1CC(C)([N+](=O)[O-])COP1(N2C(CC)C2)=O,0.0
71064,CO-ADD:0136947,-4.61,O(C(=O)c1ccccc1)c(cc2)cc(OC(Nc(c(OC)ccc3)c3)=O)c2,0.0
71065,CO-ADD:0137043,-4.61,O1CCOC1(CCc(ccc2NCCCC(C(N=C(N)N3[H])=O)=C3C)cc2)CCl,0.0
71066,CO-ADD:0135954,-4.61,c1(C#N)ccc(NC2C(O)Cc(cccc3)c23)cc1,0.0
71067,CO-ADD:0135970,-4.61,[H]N1c2c(c(ccc2)ccc3)c3N([H])C1c(c4)cccn4,0.0
71068,CO-ADD:0136051,-4.61,n1ccccc1C=C(/C#N)c(ccc(OC)c2)c2,0.0
71069,CO-ADD:0136123,-4.61,c1([N+](=O)[O-])cnc(C)n1CCOC(N)=O,0.0
71070,CO-ADD:0136307,-4.61,c1cc(NC(=S)N2CCN(C(C)(C)CO)CC2)ccc1,0.0
71071,CO-ADD:0136339,-4.61,c1cccc(Cl)c1NC=C(/C(OCC)=O)C(OCC)=O,0.0
71072,CO-ADD:0136267,-4.61,C(=NC(C(C=C=Nc(cccc1)c1)=O)=O)=Cc(cccc2)c2,0.0
71073,CO-ADD:0136076,-4.61,c1c2c(cccc2)ccc1NC(CC(C)=O)=O,0.0
71074,CO-ADD:0136759,-4.61,c1cc(OC)c(NC(N(Cc2occc2)C)=O)cc1[N+](=O)[O-],0.0
71075,CO-ADD:0136895,-4.62,[H]n1c(cccc2)c2c(ccc(c3c4)cc(C(Nc(ccc(OC)c5)c5)=O)c4O)c13,0.0
71076,CO-ADD:0136911,-4.62,Clc(ccc(OCC(CN1CCN(CC1)c(cc(C)cc2)c2)O)c3)c3,0.0
71077,CO-ADD:0136712,-4.62,N12C(Cc3c(c(OC)c(O)cc3)C1)c(c(CC2)cc(c4O5)OC5)c4,0.0
71078,CO-ADD:0136936,-4.62,N(c(ccc1S(N)(=O)=O)cc1)=Nc2c3c(cc(C(O)=O)c2O)cccc3,0.0
71079,CO-ADD:0136136,-4.62,c1coc(c2n([H])c(SCC#C)nn2)c1,0.0
71080,CO-ADD:0136192,-4.62,n1n(c(c(Cc2ccccc2)nnc3C)c3c1C)[H],0.0
71081,CO-ADD:0136216,-4.62,O=[As](O)(O)c(cc1)cc(NC(OCC)=O)c1,0.0
71082,CO-ADD:0136224,-4.62,O=C(N(C)c(c1C2=O)nc(Cc(cccc3)c3)n1C)N2C,0.0
71083,CO-ADD:0136137,-4.62,N1C=CN(c2ccccc2Cl)C1=S,0.0
71084,CO-ADD:0136193,-4.62,c1cc(cc(NC(Nn(cnn2)c2)=O)c1)Cl,0.0
71085,CO-ADD:0136329,-4.62,n1nn(c2ccccc2)c(c(ccc3)c(ccc4)c3c4)n1,0.0
71086,CO-ADD:0136257,-4.62,O=C(c(c(C(O)=O)ccc1)c12)c(ccc3)c(c2n4)c3s4,0.0
71087,CO-ADD:0136273,-4.62,c1(C)ccc(C(C)C)cc1NC(Nc(c(OC)ccc2)c2)=O,0.0
71088,CO-ADD:0136066,-4.63,O1C(OC)C(O)C(NC(N(C)N=O)=O)C(O)C1,0.0
71089,CO-ADD:0136477,-4.63,c1ccc(N=CN(c2ccc(Cl)cc2)C3=O)c3c1,0.0
71090,CO-ADD:0136517,-4.63,c1cc2c(c3c(C(=O)C=C(c4cnccc4)O3)cc2)cc1,0.0
71091,CO-ADD:0136374,-4.63,C(NC(C)(C)C)(=O)c(ccc1C(NC(C)(C)C)=O)cc1,0.0
71092,CO-ADD:0137091,-4.63,O=C(C=C(C(C)=CC(C1C(O)C2)C(CC3C)C2(C)C3(C4(COCO4)OC5)O5)C16C)C(=C/O)C6,0.0
71093,CO-ADD:0137027,-4.63,c1c(C(=O)NC(=S)Nc2ccc(C)c(NC(=S)NC(=O)c(cccc3)c3)c2)cccc1,0.0
71094,CO-ADD:0137107,-4.63,N1(C)C(C(C)(C)c(ccc2)c1c2)=C=Cc(cc(c3O)I)cc3I,0.0
71095,CO-ADD:0135683,-4.63,n1cnc(c(c1Cl)cc2)n2[H],0.0
71096,CO-ADD:0135883,-4.63,[H]n1c(cccc2)c2cc1c(ccc(OC)c3)c3,0.0
71097,CO-ADD:0135732,-4.63,N1([H])C(SCC)=NC(C(C)=C1C)=O,0.0
71098,CO-ADD:0135900,-4.63,O=C1C(O)=CC=Cc(cc(O)c2O)c1c2O,0.0
71099,CO-ADD:0136325,-4.63,N(=Nc(c(C)nc1N=Nc(cccc2)c2)n1[H])c(cccc3)c3,0.0
71100,CO-ADD:0136269,-4.63,Clc(cc(c(CSC(C=CN([H])C1=O)=N1)c2)Cl)c2,0.0
71101,CO-ADD:0136142,-4.63,C1(O)=C(C)N2C(=NN(c3ccccc3)C2=N)N=C1,0.0
71102,CO-ADD:0136358,-4.63,O=C(N([H])C(=C1C2=S)N(c(cccc3)c3)C(=S)N1[H])N2[H],0.0
71103,CO-ADD:0137028,-4.63,c1c(nccc2C(C(C3)N(CCC34)CC4C=C)O)c2cc(OC)c1.Br,0.0
71104,CO-ADD:0137108,-4.63,n1c(c2ccc(C(C(OC)=C3N)=O)c(C3=O)n2)c(N)c(c4ccc(OC)c(OC)c4O)c(C)c1C(OC)=O,0.0
71105,CO-ADD:0137060,-4.63,O=C(N(C)c(ncn1CCOC(C(C)(C)Oc2ccc(Cl)cc2)=O)c1C3=O)N3C,0.0
71106,CO-ADD:0137140,-4.63,O=C1C(C(CC2)C(C)(C)C12C)=N/c(ccc3N=C(C(CC4)C(C)(C)C45C)/C5=O)cc3,0.0
71107,CO-ADD:0135588,-4.63,n1c(N)nc(C(C=CCC2)C2)nc1N,0.0
71108,CO-ADD:0135724,-4.64,O=C1C(C)=C(C)C(=N/OC)C=C1C,0.0
71109,CO-ADD:0136472,-4.64,c1ccnc(n1)Sc(c([N+](=O)[O-])cc([N+](=O)[O-])c2)c2,0.0
71110,CO-ADD:0136536,-4.64,c1ccc(n(CC)c(ccc(n2c(ccc2)c3)c4n3)c45)c5c1,0.0
71111,CO-ADD:0136544,-4.64,[H]N1C(SC(=C/c(c(C(O)=O)ccc2)c2)C1=O)=S,0.0
71112,CO-ADD:0136465,-4.64,c1n2c(nc(N3CCN(CCO)CC3)c2[N+](=O)[O-])ccc1,0.0
71113,CO-ADD:0136425,-4.64,N1=C(NC(C)=O)C=CN(CC(N(CC)CC)=O)C1=O,0.0
71114,CO-ADD:0135599,-4.64,[H]N1C(=S)N(CCCC)CC1,0.0
71115,CO-ADD:0136090,-4.64,n1ccc(C=C/c2ccc([N+](=O)[O-])cc2)cc1,0.0
71116,CO-ADD:0136822,-4.64,n1c(c(cc(C(NN=Cc(ccc(N(C)C)c2)c2)=O)c1)ccc3)c3,0.0
71117,CO-ADD:0136870,-4.64,O=C1c(nc(C(OC(COC)=O)CC2)n23)c3C(C(C)=C1NC(C)=O)=O,0.0
71118,CO-ADD:0136950,-4.64,Clc(cc(C(C)C)c(c1)OC(Nc(ccc(C(OCC)=O)c2)c2)=O)c1C,0.0
71119,CO-ADD:0136878,-4.64,n1c(c(ccc2)c(c3ccccc3)cc1C=Cc(ccc(N(CC)CC)c4)c4)c2,0.0
71120,CO-ADD:0218344,-4.64,N(=C\c1cccc(OC)c1)/NC(CCCCC(=O)N\N=C\c2cccc(OC)c2)=O,0.0
71121,CO-ADD:0218272,-4.64,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C\c2ccccc2O,0.0
71122,CO-ADD:0166050,-4.64,C(CSCc1ccccc1Cl)(=O)N\N=C\c(cc2)ccc2Br,0.0
71123,CO-ADD:0166062,-4.64,c(\C=N\NC(COc(ccc(c1C)C)c1)=O)(cc(OCO2)c2c3)c3Br,0.0
71124,CO-ADD:0166739,-4.64,c12c(non1)nc(Nc(ccc(c3C)C)c3)c(Nc(cc4)ccc4O)n2,0.0
71125,CO-ADD:0166781,-4.64,N1(c2ccc(cn2)Br)C(=O)c3c(c(c4)C1=O)c(ccc3)c(c4[N+](=O)[O-])Br,0.0
71126,CO-ADD:0165945,-4.64,c1(c2c(cccc2)ccc1OC(=O)c3ccc(cc3)Br)\C=N\c4ccccc4C,0.0
71127,CO-ADD:0166439,-4.64,C(=O)(N\N=C\c(cc1)ccc1I)C(=O)Nc2ccccc2OCC,0.0
71128,CO-ADD:0215542,-4.64,n1c(c2ccc(cc2)Br)csc1N\N=C\c3ccccc3OC,0.0
71129,CO-ADD:0214949,-4.64,C(=O)(N\N=C\c(ccc(c1OCC)OCc(cc2)ccc2Cl)c1)C(=O)NCc(cc3)ccc3Cl,0.0
71130,CO-ADD:0215637,-4.64,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)I)Nc2cc(C)ccc2OC,0.0
71131,CO-ADD:0215645,-4.64,N1=C(N\N=C\c(ccc(c2OC)OC)c2)SC(C)C1=O,0.0
71132,CO-ADD:0215470,-4.64,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c(cccc3[N+](=O)[O-])c3,0.0
71133,CO-ADD:0215486,-4.64,c1(C(F)(F)F)nc(sc1c2ccc(cc2)Cl)N\N=C\c3ccc(cc3Cl)Cl,0.0
71134,CO-ADD:0222662,-4.65,C1(C(=O)Nc(ccc(c2C)C)c2)C3C1CC\C=C/CC\C=C\CC3,0.0
71135,CO-ADD:0222643,-4.65,c1(Cl)c(ccc(Cl)c1)OCC(NCCc2ccccc2)=O,0.0
71136,CO-ADD:0222406,-4.65,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(c(cc3)ccn3)=O)Br,0.0
71137,CO-ADD:0218970,-4.65,C(NCCOc1ccccc1Cl)(=O)c(cc2)ccc2C(C)(C)C,0.0
71138,CO-ADD:0221018,-4.65,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc2cc(C)ccc2C,0.0
71139,CO-ADD:0221942,-4.65,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc3ccccc3O,0.0
71140,CO-ADD:0220419,-4.65,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
71141,CO-ADD:0220439,-4.65,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(cc3)ccc3N(CC)CC,0.0
71142,CO-ADD:0220793,-4.65,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(CNc3cccc(C)c3)=O,0.0
71143,CO-ADD:0220779,-4.65,c(\C=N/NC(CNc1cccc(C)c1)=O)(c(cccc2)c2n3C)c3,0.0
71144,CO-ADD:0218897,-4.65,c1(cc(O)ccc1O)\C(\C)=N/NC(COc2ccccc2C)=O,0.0
71145,CO-ADD:0231826,-4.66,C(=O)(c1ccc(cc1)Br)Oc2cc(ccc2OC(=O)c3ccc(cc3)Br)\C=N\NC(COc(ccc(c45)cccc4)c5)=O,0.0
71146,CO-ADD:0227794,-4.66,C1(c2ccccc2)(CC1(Cl)Cl)C(=O)Nc(ccc(c3C)C)c3,0.0
71147,CO-ADD:0227716,-4.66,C12c3c(cccc3)C(CC1C(=O)Nc4cccc(OC)c4)c(cccc5)c25,0.0
71148,CO-ADD:0231786,-4.66,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3Cl)c4cccc(Cl)c4Cl,0.0
71149,CO-ADD:0231301,-4.66,N(/c(cc1)ccc1Cl)=C\c(cc2)ccc2OCc(cc3)ccc3F,0.0
71150,CO-ADD:0227994,-4.66,C(=N/NC(COc1ccc(cc1OC)Br)=O)(/c(cccc2C)c2N3)\C3=O,0.0
71151,CO-ADD:0234280,-4.66,c1(c(O)c(\C=N\c(cc2)ccc2c3oc(c4n3)cccc4)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
71152,CO-ADD:0236687,-4.66,n1c(SCC(=O)Nc2cccc(cccc3)c23)[nH]nc1c4ccccc4,0.0
71153,CO-ADD:0229727,-4.66,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2\C=N\NC(COc(cc3)ccc3C)=O)Br,0.0
71154,CO-ADD:0233401,-4.66,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
71155,CO-ADD:0231484,-4.66,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)c3cccc(Br)c3,0.0
71156,CO-ADD:0234295,-4.66,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2\C=N\NC(=O)c(c3)cc(cn3)Br)Br,0.0
71157,CO-ADD:0234937,-4.66,c1(Nc2ccccc2)nc(N\N=C\c3cccc(Cl)c3)nc(NCc4ccccc4)n1,0.0
71158,CO-ADD:0236498,-4.66,C1(C(=O)NNC(=O)c2ccc(cc2)Br)=Cc3c(OC1=O)ccc(OC)c3,0.0
71159,CO-ADD:0234116,-4.66,c1(S2)c(cc(c(O)c1Br)Br)OC2=O,0.0
71160,CO-ADD:0234363,-4.66,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3Cl)CCCC2,0.0
71161,CO-ADD:0234324,-4.66,N(=C\c(cc(Br)cc1Cl)c1O)/c2c(C)cccc2O,0.0
71162,CO-ADD:0221488,-4.66,c1(c(ccc(c1)[N+](=O)[O-])NCC(C)Oc2c(C)non2)[N+](=O)[O-],0.0
71163,CO-ADD:0221455,-4.67,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(cc2)ccc2\C=N\NC(=O)c3ccc(cc3Cl)Cl,0.0
71164,CO-ADD:0220909,-4.67,C1(c2ccc(cc2Cl)Cl)=N\C(\C(=O)O1)=C/c(ccc3c4ccc(cc4Cl)Cl)o3,0.0
71165,CO-ADD:0219284,-4.67,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cc4)ccc4C,0.0
71166,CO-ADD:0220598,-4.67,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(COc3c(Br)cc(cc3Br)Br)=O,0.0
71167,CO-ADD:0221676,-4.67,C(OCCCc1ccccc1)(=O)Nc(cc2)ccc2I,0.0
71168,CO-ADD:0220433,-4.67,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c(ccc(c3OC)O)c3,0.0
71169,CO-ADD:0222559,-4.67,N(c1c(CC)cccc1CC)C(=O)C(NCCC(C)C)=O,0.0
71170,CO-ADD:0220451,-4.67,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3ccccc3,0.0
71171,CO-ADD:0220597,-4.67,C(=C/c1ccccc1O)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(c3c([nH]4)cccc3)c4,0.0
71172,CO-ADD:0220665,-4.67,c1(N(CC2)CCO2)nc(N\N=C\c3cccc(Cl)c3)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
71173,CO-ADD:0222601,-4.67,C(=O)(C\C(\C)=N\NC(COc(cc1)ccc1OC)=O)Nc2ccccc2Cl,0.0
71174,CO-ADD:0226107,-4.67,S(=O)(=O)(N(Cc1ccccc1)c2cc(C)cc(C)c2)c3cccn(cnn4)c34,0.0
71175,CO-ADD:0166750,-4.67,N1(NC(=O)c(cc2)ccc2[N+](=O)[O-])C(=O)c3c(c(c4)C1=O)c(ccc3)c(c4[N+](=O)[O-])Br,0.0
71176,CO-ADD:0165969,-4.67,c(c(Br)c(C)cc1OCC(=O)N\N=C(/C)\CC(NCC=C)=O)c1Br,0.0
71177,CO-ADD:0166011,-4.67,C(/c1ccccc1)(\C(c2ccccc2)=O)=N\NC(Cc(cc3)ccc3Cl)=O,0.0
71178,CO-ADD:0166363,-4.67,c1(O)c(cccc1\C=N\NC(CCc2ccccc2)=O)OC,0.0
71179,CO-ADD:0166295,-4.67,N1(c2cccc(c2)[N+](=O)[O-])CC(CC1=O)C(=O)Nc(cc3)ccc3C,0.0
71180,CO-ADD:0215494,-4.67,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c2cccc(Br)c2,0.0
71181,CO-ADD:0215518,-4.67,C(=O)(N\N=C\c(cc1)ccc1C(O)=O)C(=O)NCc(cccn2)c2,0.0
71182,CO-ADD:0215697,-4.67,c1(ccc(cc1[N+](=O)[O-])F)C(=O)Nc2ccc(cn2)Br,0.0
71183,CO-ADD:0215729,-4.68,c1(C#N)c(C)c(sc1\N=C\c2cc(OC)ccc2O)C,0.0
71184,CO-ADD:0166621,-4.68,c1(ccccc1OCc2cccc(Br)c2)C(=O)N\N=C\c(ccc(c34)OCO3)c4,0.0
71185,CO-ADD:0166617,-4.68,n1c2c(cccc2)ccc1C(=O)N\N=C\c(ccc(c3OC)OC)c3OC,0.0
71186,CO-ADD:0220556,-4.68,c1(OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccc(cc3)Br)OC)c(Br)cc(cc1Br)Br,0.0
71187,CO-ADD:0220230,-4.68,c1(NCC(=O)N\N=C\c(cccn2)c2)c(Br)cc(cc1Br)Br,0.0
71188,CO-ADD:0219461,-4.68,C(=O)(c1ccc(cc1)F)Nc(cccc2C(=O)N\N=C\c3ccc(cc3OC)OC)c2,0.0
71189,CO-ADD:0219324,-4.68,c1(C#N)c(c2ccc(cc2)Br)cc(nc1SCC(OCc3ccccc3)=O)c4ccccc4,0.0
71190,CO-ADD:0222851,-4.68,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NC(C)C(=O)N\N=C\c(cc2)ccc2OC,0.0
71191,CO-ADD:0222407,-4.68,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(=O)c(cccn3)c3)Br,0.0
71192,CO-ADD:0218898,-4.68,C(=O)(N\N=C(\C1)/CCCCC1)C(=O)NC(C)C,0.0
71193,CO-ADD:0222071,-4.68,C12C3C=CC(C(C(O)=O)C3C(=O)Nc(cccc4[N+](=O)[O-])c4)C1C2,0.0
71194,CO-ADD:0222017,-4.68,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c2cccc(cccc3)c23,0.0
71195,CO-ADD:0220808,-4.68,c1(N(CC2)CCO2)nc(N\N=C\c3c4c(cccc4)cc(cccc5)c35)nc(Nc(cc6)ccc6C)n1,0.0
71196,CO-ADD:0220787,-4.68,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(CNc3ccccc3C)=O,0.0
71197,CO-ADD:0222086,-4.68,N1(c2ccc(cc2)Br)CC(CC1=O)C(=O)Nc(cc3)ccc3[N+](=O)[O-],0.0
71198,CO-ADD:0227209,-4.68,c(cc(Cl)cc1I)(\C=N\c2cc(CC)ccc2O)c1O,0.0
71199,CO-ADD:0231272,-4.68,S(=O)(=O)(c1ccc(c2c1)cccc2)Nc3cccc(Cl)c3C,0.0
71200,CO-ADD:0231237,-4.68,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc(cc3)ccc3Br,0.0
71201,CO-ADD:0231210,-4.68,c1(O)c(cccc1\C=N\NC(CCCc(ccc(c2C)OC)c2)=O)OC,0.0
71202,CO-ADD:0227606,-4.68,c1(OC)c(OC)cc(cc1OC)\C=N/NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O,0.0
71204,CO-ADD:0234316,-4.68,c1(c(O)c(\C=N\c(ccc(c2c3oc(c4n3)cccc4)O)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
71205,CO-ADD:0236833,-4.69,c(c1ccc2C(=O)OCC(=O)c(cc3)ccc3c4ccccc4)(c25)N(CC(CC=C6)C16)CC(CC=C7)C57,0.0
71206,CO-ADD:0236826,-4.69,S(=O)(=O)(N(CC)CC)c(ccc(c1c2nnc(c3ccc(cc3)C)o2)Cl)c1,0.0
71207,CO-ADD:0231118,-4.69,C(c1ccccc1)(=O)Oc2ccc(cc2\C=N\c3ccccc3C)Cc(ccc(c4\C=N\c5ccccc5C)OC(c6ccccc6)=O)c4,0.0
71208,CO-ADD:0234546,-4.69,c1(N=Nc2c(C)non2)c(C)non1,0.0
71209,CO-ADD:0233480,-4.69,c1(cccc(cccc2)c12)CC(=O)N\N=C\c3ccc(cc3Cl)Cl,0.0
71210,CO-ADD:0234231,-4.69,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4ccccc4Br,0.0
71211,CO-ADD:0234673,-4.69,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3cccc(F)c3)=O,0.0
71212,CO-ADD:0234284,-4.69,c1(c(O)c(\C=N\c2c(O)ccc(C(C)CCC)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
71213,CO-ADD:0234264,-4.69,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2ccco2)=O)c3ccccc3Br,0.0
71214,CO-ADD:0221326,-4.69,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)N(CC3)CCN3C(=O)CN(c4cccc(Cl)c4)S(=O)(=O)c5ccc(cc5)C,0.0
71215,CO-ADD:0221338,-4.69,C(=O)(Nc(cc1)ccc1Cl)C(=O)NCC2CCCO2,0.0
71216,CO-ADD:0219007,-4.69,N(c(cc1)ccc1\N=C\c2ccccc2O)=Nc3ccccc3,0.0
71217,CO-ADD:0221588,-4.69,N1(OC(N(c2ccccc2)C1=O)=O)C3C(C)(C)SC(=S)N3CCCC,0.0
71218,CO-ADD:0221624,-4.69,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(=O)\C(=C\c(cc2)ccc2OCCC)\NC(c3ccccc3)=O,0.0
71219,CO-ADD:0221046,-4.69,c1(NCC(=O)N\N=C\c(cc2)ccc2N(C)C)c(Br)cc(cc1Br)Br,0.0
71220,CO-ADD:0221190,-4.69,c1(C#N)c(CC(C)(C)OC2)c2c(nc1N3CCCCC3)C,0.0
71221,CO-ADD:0221162,-4.69,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(=O)N(CC3)CCN3c4ccccc4,0.0
71222,CO-ADD:0219360,-4.7,C(=O)(Nc(cc1)ccc1OCC)C\C(\C)=N\NC(CCCC)=O,0.0
71223,CO-ADD:0219411,-4.7,C(C(C)C)(=O)N\N=C\c1ccccc1OCc2ccccc2Cl,0.0
71224,CO-ADD:0220993,-4.7,C(=N/NC(=O)c1ccc(cc1)C)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
71225,CO-ADD:0219668,-4.7,[N+](=O)([O-])c1cc(ccc1C)\C=N\NC(=O)CCSc(cc2)ccc2Cl,0.0
71226,CO-ADD:0226093,-4.7,S(=O)(=O)(N(c1ccc(cc1)C)Cc(cc2F)cc(c2)F)c3cccn(c(nn4)CC)c34,0.0
71227,CO-ADD:0226103,-4.7,S(=O)(=O)(N(Cc1cccc(OC)c1)c2ccc(cc2)F)c3cccn(c(nn4)CC)c34,0.0
71228,CO-ADD:0226078,-4.7,S(=O)(=O)(N(c1ccccc1)Cc(cc2F)cc(c2)F)c3cccn(c(nn4)CC)c34,0.0
71229,CO-ADD:0226097,-4.7,S(=O)(=O)(N(Cc1cccc(OC)c1)c2ccc(cc2)F)c3cccn(cnn4)c34,0.0
71230,CO-ADD:0218268,-4.7,C(=O)(N\N=C\c(cc1)ccn1)c(cccn2)c2,0.0
71231,CO-ADD:0166578,-4.7,C1(C(=O)N\N=C\c2ccc(C)o2)CC1c3ccccc3,0.0
71232,CO-ADD:0166744,-4.7,N1(c(ccc(c2C(O)=O)O)c2)C(=O)c3c(c(c4)C1=O)c(ccc3)c(c4[N+](=O)[O-])Br,0.0
71233,CO-ADD:0166462,-4.7,C(C(c1ccccc1)=O)C(c2ccc(cc2)OCCCC)Nc(cc3)ccc3I,0.0
71234,CO-ADD:0166454,-4.7,[N+](=O)([O-])c1ccc(cc1)\C=N/NC(=O)C(=O)NC(C)c2ccccc2,0.0
71235,CO-ADD:0166436,-4.7,C(=O)(N\N=C\c1c(O)ccc(cccc2)c12)C(=O)NC(C)c3ccccc3,0.0
71236,CO-ADD:0166117,-4.7,c1(O)c(OC)cc(cc1Br)\C=N\NC(CNC(=O)c2ccco2)=O,0.0
71237,CO-ADD:0222266,-4.7,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(CNC(=O)c3ccccc3Br)=O)Br,0.0
71238,CO-ADD:0220990,-4.71,C(=N/NC(COc(cc1)c(C)cc1C(C)(C)C)=O)(/C2=O)\c(c3)c(N2)c(cc3[N+](=O)[O-])C,0.0
71239,CO-ADD:0221019,-4.71,N(c1c(C)cccc1C)C(=O)c2ccc(cc2)NC(CCCCCCCCC)=O,0.0
71240,CO-ADD:0220864,-4.71,N(c1ccccc1)(NC(c2ccccc2)=O)C(=O)c3ccc(cc3)NC(CCCCCCCCC)=O,0.0
71241,CO-ADD:0220221,-4.71,n1c2c([nH]c1c3ccccc3)ccc(c2)\N=C\c(cccc4[N+](=O)[O-])c4,0.0
71242,CO-ADD:0222695,-4.71,c1(ccc(cc1Cl)Cl)C(=O)Nc2ccc(cc2C)Br,0.0
71243,CO-ADD:0219299,-4.71,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c4cccc(Br)c4,0.0
71244,CO-ADD:0219722,-4.71,C(CCC(=O)N\N=C\c1cccc(OC)c1)(=O)Nc2cccc(Br)c2,0.0
71245,CO-ADD:0227155,-4.71,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N/NC(COc3cccc(Cl)c3)=O,0.0
71246,CO-ADD:0229871,-4.71,c1(S(CC)(=O)=O)c(C(OC)=O)n(c2c1S(CC)(=O)=O)cccc2C,0.0
71247,CO-ADD:0229523,-4.71,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3cc(C)ccc3C,0.0
71248,CO-ADD:0227191,-4.71,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3ccccc3O,0.0
71249,CO-ADD:0231244,-4.71,C(=O)(c1cccc(Br)c1)Nc2cccc(Cl)c2C,0.0
71250,CO-ADD:0231238,-4.71,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2F)c3ccc(cc3)Cl,0.0
71251,CO-ADD:0231010,-4.71,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])NC(C)C(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
71252,CO-ADD:0229843,-4.71,n1(nnc(C)c1C(=O)N\N=C(/C2)\c3c(C2)cccc3)c4nonc4N,0.0
71253,CO-ADD:0231391,-4.71,c1(N2CCCCCC2)nc(N\N=C/c(cc3)ccc3Cl)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
71254,CO-ADD:0236652,-4.71,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c3c(OC)ccc(OC)c3,0.0
71255,CO-ADD:0231564,-4.71,C(=C/c(cc1)ccc1Br)(/C(=O)NN2c3ccc(c(C)c3)C)\C2=O,0.0
71256,CO-ADD:0233297,-4.71,N1(CCCCCC(=O)Nc2cccc(C)c2)C(=O)c3c(cccc3)C1=O,0.0
71257,CO-ADD:0233621,-4.71,N(/c1ccccc1O)=C\c2ccc(cc2O)O,0.0
71258,CO-ADD:0233175,-4.71,C(=O)(c1ccccc1C)Nc(cc2)ccc2Cc(cc3)ccc3NC(=O)c4ccccc4C,0.0
71259,CO-ADD:0234797,-4.71,C(CN(CC1)CCN1CC(CNC(c2ccccc2)=O)([N+](=O)[O-])[N+](=O)[O-])(CNC(c3ccccc3)=O)([N+](=O)[O-])[N+](=O)[O-],0.0
71260,CO-ADD:0227685,-4.71,c1(SCCOc2ccccc2)[nH]c(c3n1)cccc3,0.0
71261,CO-ADD:0235975,-4.71,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)NCc(cccn3)c3,0.0
71262,CO-ADD:0233518,-4.71,c1(cc(ccc1N(CC2)CCO2)\C=N\NC(COc3ccccc3OC)=O)[N+](=O)[O-],0.0
71263,CO-ADD:0221065,-4.71,c1(Br)c(Br)c(\C=N\NC(COc2ccc(cc2OC)Br)=O)cc(O)c1O,0.0
71264,CO-ADD:0221383,-4.72,c12c(CCCC(=O)C1)c3c(ccc(C4CCCCC4)c3)[nH]2,0.0
71265,CO-ADD:0221390,-4.72,N(CCOc1cccc(Cl)c1)(CC2)CCN2CCO.Cl.Cl,0.0
71266,CO-ADD:0221407,-4.72,N(C(=O)CS1)(C2c3ccc(cc3OC)OC)C1=NC(C)=C2C(OCC)=O,0.0
71267,CO-ADD:0221279,-4.72,c1(C(OCC)=O)c(cc(O)cc2)c2n(C)c1CSc3ccccc3,0.0
71268,CO-ADD:0221639,-4.72,C(OCCCCCCCCCC)(=O)Nc(cc1)ccc1I,0.0
71269,CO-ADD:0222160,-4.72,c(Nc(ccc(c1C)C)c1)(nc(N\N=C\c2cccc(Br)c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
71270,CO-ADD:0222546,-4.72,[N+](=O)([O-])c(ccc(c1\C=N\c2c(C)cccc2O)O)c1,0.0
71271,CO-ADD:0222292,-4.72,c(cc(Cl)cc1Cl)(\C=N\c(cc2)ccc2NC(C)=O)c1O,0.0
71272,CO-ADD:0220596,-4.72,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O,0.0
71273,CO-ADD:0222826,-4.72,C(/N)(\c1ccc(cc1)Br)=N/O,0.0
71274,CO-ADD:0222152,-4.72,c1(O)c(I)cc(cc1I)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
71275,CO-ADD:0218243,-4.72,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2OC)=O)O)c1,0.0
71276,CO-ADD:0218467,-4.72,C(COc1cccc(C)c1)(=O)N\N=C\c2cccc(OC)c2,0.0
71277,CO-ADD:0218019,-4.72,C(=C(/C=N/Nc(cc1)ccc1OC)\Cc2ccccc2)(/C3=O)\C(=O)N(N3c4ccccc4)c5ccccc5,0.0
71278,CO-ADD:0217948,-4.72,c1(ccc(Cc2ccccc2)o1)C(O)=O,0.0
71279,CO-ADD:0217956,-4.72,C(OC(=O)Nc1c(Cl)cc(cc1Cl)Cl)(C(F)(F)F)(C(F)(F)F)C(OC(=O)Nc2c(Cl)cc(cc2Cl)Cl)(C(F)(F)F)C(F)(F)F,0.0
71280,CO-ADD:0225585,-4.72,N12C(C=CC(Sc3cccc(F)c3)=N1)=NN(CC(=O)NCc(cc4)ccc4Cl)C2=O,0.0
71281,CO-ADD:0222771,-4.72,s1c(N)nnc1CC(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
71282,CO-ADD:0222127,-4.72,n(nc(n1)N)(c(O)c2)c1nc2C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.0
71283,CO-ADD:0222581,-4.72,N(C(=O)c1ccc(cc1)OC)C(C(C)O)C(O)=O,0.0
71284,CO-ADD:0222594,-4.73,C1(CCCC1)(c2ccccc2)CNC(CCl)=O,0.0
71285,CO-ADD:0222620,-4.73,C1(CC(CC1c2ccc(cc2O)C)C3(C)C)C3C,0.0
71286,CO-ADD:0222493,-4.73,c(cc(Cl)cc1Br)(\C=N\c2cccc(Cl)c2Cl)c1O,0.0
71287,CO-ADD:0222655,-4.73,C(F)(F)(F)c1ccccc1NC(=O)C\C(\C)=N\NC(=O)c2ccc(cc2)Br,0.0
71288,CO-ADD:0222233,-4.73,c1(O)c(OCC)cc(cc1I)\C=N\NC(CNc(ccc(c23)cccc2)c3)=O,0.0
71289,CO-ADD:0219825,-4.73,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Nc2c(C)cccc2C,0.0
71290,CO-ADD:0219645,-4.73,C(=O)(N\N=C\c(cc1)ccc1OCCC)C(=O)Nc2ccc(cc2C)Cl,0.0
71291,CO-ADD:0219366,-4.73,C(Oc(cc1)ccc1C(=O)Nc2ccccc2Cl)(=S)Nc(cc3)ccc3Br,0.0
71292,CO-ADD:0219559,-4.73,C1(=C(CCCC1=O)O)C(c2ccccc2)C3=C(CCCC3=O)O,0.0
71293,CO-ADD:0229806,-4.73,s1c(CCOCCOCCc2nnc(N)s2)nnc1N,0.0
71294,CO-ADD:0231625,-4.73,c1([nH]c(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c4cc(Br)ccc4O,0.0
71295,CO-ADD:0233309,-4.73,n1(c2ccccc2)nnnc1SCC(O)=O,0.0
71296,CO-ADD:0234085,-4.73,[N+](=O)([O-])c(cc1)ccc1C(=O)NNC(=O)c2ccc(cc2)Cl,0.0
71297,CO-ADD:0234078,-4.73,c1(ccccc1I)C(NN)=O,0.0
71298,CO-ADD:0236146,-4.74,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
71299,CO-ADD:0236674,-4.74,c1(c(SC)nsc1SC)NC(=O)N2CCCCC2,0.0
71300,CO-ADD:0229277,-4.74,C(=O)(Nc(cc1)ccc1C(c2ccccc2)(c3ccccc3)c(cc4)ccc4NC(=O)c5cccc(cccc6)c56)c7cccc(cccc8)c78,0.0
71301,CO-ADD:0230976,-4.74,c12c(c(nc(C)n1)C)C(C=C(c3ccccc3)N2)=O,0.0
71302,CO-ADD:0231398,-4.74,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(cccc4[N+](=O)[O-])c4O,0.0
71303,CO-ADD:0231183,-4.74,c1(cc(ccc1C(O)=O)Oc(cc2)ccc2NC(CCCCCCCCCCC)=O)C(O)=O,0.0
71304,CO-ADD:0231082,-4.74,C(=S)(Oc(cc1)ccc1C(=O)Nc2ccccc2C)N(CC(C)C)CC(C)C,0.0
71305,CO-ADD:0234588,-4.74,c1(c(Br)cc(cc1\C=N\NC(COc2c(C)cccc2C)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
71306,CO-ADD:0233250,-4.74,C(=O)(c1cccc(Br)c1)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Br,0.0
71307,CO-ADD:0236716,-4.74,n1(nnc(C(OCC)=O)c1CN2CCCCC2)c3nonc3N,0.0
71308,CO-ADD:0234434,-4.74,C1(=CC(=O)C(=C2CBr)CBr)[C@]2(C)CCCC1(C)C,0.0
71309,CO-ADD:0234987,-4.74,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(cc3)cc(c3OC(C)=O)OC,0.0
71310,CO-ADD:0229015,-4.74,S(=O)(=O)(c1ccc(cc1)C)NC(=N)NC(CCCC)=O,0.0
71311,CO-ADD:0229038,-4.74,C(OC)(NCCCCNC(OC)=O)=O,0.0
71312,CO-ADD:0231365,-4.74,N1(c2cccc(C(C)=O)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Oc(cc4)ccc4C5(c6ccc(cc6)OC(=O)c(ccc(c7C8=O)C(N8c9cccc(C(C)=O)c9)=O)c7)c%10c(c(cccc%11)c5%11)cccc%10,0.0
71313,CO-ADD:0234713,-4.74,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccccc2C#N)=O)c3cccc(Br)c3,0.0
71314,CO-ADD:0226125,-4.74,S(=O)(=O)(N(Cc(cc1)ccc1C)c2ccc(c(F)c2)F)c3cccn(cnn4)c34,0.0
71315,CO-ADD:0226181,-4.74,S(=O)(=O)(N(Cc(cc1)ccc1F)c2ccc(c(F)c2)F)c3cccn(c(nn4)C)c34,0.0
71316,CO-ADD:0226895,-4.75,c12n(c3c(cccc3)nc1SCC(=O)Nc4ccc(cc4Br)C)c(nn2)CC,0.0
71317,CO-ADD:0226376,-4.75,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(=O)N(C)c4ccccc4)=O,0.0
71318,CO-ADD:0221672,-4.75,n(C(C)=O)(c1c(c2\C=C(\c(cc3)ccn3)/c4ccc(cc4)Cl)cccc1)c2.OC(C(F)(F)F)=O,0.0
71319,CO-ADD:0221309,-4.75,C(=O)(c1ccc(cc1)Cl)NCC(OCCCl)=O,0.0
71320,CO-ADD:0221411,-4.75,C(=O)(Nc1cccc(c1)\N=C\c(cc(Br)cc2Br)c2O)c3ccco3,0.0
71321,CO-ADD:0221533,-4.75,c1(cc(ccc1C(=O)OCc2ccccc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
71322,CO-ADD:0221540,-4.75,S(=O)(=O)(c1ccc(cc1)N\C=C(/C(C)=NN2c3ccc(cc3)Cl)\C2=O)N(CC4)CCO4,0.0
71323,CO-ADD:0221746,-4.75,C(/C(OCC)=O)(=N/Nc(cc1)ccc1OC)\Nc(c(C)ccc2[N+](=O)[O-])c2,0.0
71324,CO-ADD:0219455,-4.75,C(=O)(C\C(\C)=N\NC(Cc(cc1)ccc1c2ccccc2)=O)NC(C)c3ccccc3,0.0
71325,CO-ADD:0221172,-4.75,n1(\N=C(/C)\c2ccc(cc2)N)nnnc1Nc3ccccc3,0.0
71326,CO-ADD:0220019,-4.75,C(=C\c1ccccc1)(/c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c23)\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
71327,CO-ADD:0220905,-4.75,c1(cc(Br)ccc1O)C(=O)N\N=C\c2ccccc2OCC(O)=O,0.0
71328,CO-ADD:0222492,-4.75,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\c2cccc(Cl)c2Cl)OC,0.0
71329,CO-ADD:0226056,-4.75,C1(=N2)N(C=CN=C1N(CC3)CCN3c4ccccc4C)C(N2CC(=O)NCc(cc5)ccc5OC)=O,0.0
71330,CO-ADD:0225937,-4.75,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)N(CC4)CCN4c5ccccc5OC)C2=O,0.0
71331,CO-ADD:0225250,-4.75,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc4c(C)cc(cc4C)C)C2=O,0.0
71332,CO-ADD:0233563,-4.75,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc3c(ccc(c4Cl)Cl)c4)o3,0.0
71333,CO-ADD:0229775,-4.75,S1C(c2ccccc2)=NNC1c3c(OC)ccc(c3)[N+](=O)[O-],0.0
71334,CO-ADD:0233639,-4.75,c(cc(Br)cc1Cl)(\C=N\c(ccc(c2OC)OC)c2)c1O,0.0
71335,CO-ADD:0234257,-4.75,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3ccccc3Br,0.0
71336,CO-ADD:0234406,-4.75,C(=O)(C(c1ccccc1)c2ccccc2)N3CCCCC3,0.0
71337,CO-ADD:0236442,-4.75,[nH]1c(C)nnc1SCC(c2ccccc2)=O,0.0
71338,CO-ADD:0236821,-4.76,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,0.0
71339,CO-ADD:0234256,-4.76,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4)cccc2,0.0
71340,CO-ADD:0231507,-4.76,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Br)cc3[N+](=O)[O-])c3O)c4ccc(cc4Cl)F,0.0
71341,CO-ADD:0231016,-4.76,S(=O)(=O)(c1ccc(cc1)I)NC(CC(C)C)C(=O)N\N=C(\CCC2)/C2,0.0
71342,CO-ADD:0237060,-4.76,COC1=C(OCCCCOC2=CC=C(C3=NNN=N3)C=C2)C=C(C4=NN(C5CCCCCC5)C(C4(C)C)=O)C=C1,0.0
71343,CO-ADD:0237206,-4.76,Cc1cc(OCC(=O)NCc2ccccc2)c3cc(Br)ccc3n1,0.0
71344,CO-ADD:0237216,-4.76,NCCN(C(=O)c1ccc(Cl)cc1Cl)c2ccc(OCc3ccc(Cl)cc3)cc2,0.0
71345,CO-ADD:0222750,-4.76,[N+](=O)([O-])c1cccc(c1)\C=N\NC(COc2c(C)cc(cc2C)Br)=O,0.0
71346,CO-ADD:0220640,-4.76,C(=N\NC(COc(cc1)c(C)cc1C(C)(C)C)=O)(/c(cccc2C)c2N3)\C3=O,0.0
71347,CO-ADD:0220533,-4.76,N(=C(/CC)\c(cc1)ccc1c2ccccc2)/NC(CNc3cccc(C)c3)=O,0.0
71348,CO-ADD:0219797,-4.76,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(CSc(cc3)ccc3Cl)=O,0.0
71349,CO-ADD:0219487,-4.76,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc2c(OC)ccc(OC)c2,0.0
71350,CO-ADD:0219417,-4.76,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)c3cccc(Br)c3,0.0
71351,CO-ADD:0233671,-4.76,C(=O)(c1ccc(cc1)C)NNC(c2ccccc2)=O,0.0
71352,CO-ADD:0233663,-4.76,n12c(ccc(OC)n1)nnn2,0.0
71353,CO-ADD:0233158,-4.76,S(=O)(=O)(c1ccc(c2c1)cccc2)NC3c4c(cccc4)Oc(cccc5)c35,0.0
71354,CO-ADD:0234435,-4.76,C12(OCCO1)c3c(N(CCCN(c(cccc4)c4C56OCCO5)C6=O)C2=O)cccc3,0.0
71355,CO-ADD:0233506,-4.76,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)ccc4OC(=O)c5ccccc5Br,0.0
71356,CO-ADD:0234769,-4.76,C(C(c1ccccc1)=O)(C2c(cc3)ccc3[N+](=O)[O-])=C(c4ccccc4)OC2(C)\N=C(/C(c5ccccc5)=O)\C(c6ccccc6)=O,0.0
71357,CO-ADD:0234542,-4.76,N(c1c2cccc1)=C(c3ccc(cc3)OC)CC(N2)c4ccccc4,0.0
71358,CO-ADD:0234523,-4.76,c1(\C=N\NC(Cc2ccccc2)=O)c(cccc1Cl)Cl,0.0
71359,CO-ADD:0231103,-4.76,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)Nc3cccc(C)c3,0.0
71360,CO-ADD:0236691,-4.76,c1(NC(COC(=O)\C=C\c(cc2)ccc2[N+](=O)[O-])=O)nnc(SCC)s1,0.0
71361,CO-ADD:0230992,-4.77,N1(c(cc2)ccc2C(O)=O)C(=O)CC(N(CC3)CCN3C(=O)CN4CCCC4)C1=O,0.0
71362,CO-ADD:0227245,-4.77,C(CNc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)ccc2F,0.0
71363,CO-ADD:0231362,-4.77,c1(ccc(cc1Cl)Cl)C(=O)Oc2cc(ccc2\C=N\c(cc3)ccc3Cl)OC(=O)c4ccc(cc4Cl)Cl,0.0
71364,CO-ADD:0229087,-4.77,C(=O)(c1ccccc1C)Nc(cc2)ccc2C(=O)N\N=C\c3ccco3,0.0
71365,CO-ADD:0227861,-4.77,C(=O)(Nc1cccc(Br)c1)CCN2CCCCC2.Cl,0.0
71366,CO-ADD:0229584,-4.77,c1(nc(c2ccccc2)cc3C(F)(F)F)n3nc(C(=O)Nc(c4)cc(cc4Oc(cc5)ccc5F)Oc(cccn6)c6)n1,0.0
71367,CO-ADD:0227203,-4.77,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c2ccccc2Cl,0.0
71368,CO-ADD:0226911,-4.77,n(c1c(cccc1)nc2SCC(=O)Nc3ccc(cc3OC)OC)(c(C(C)C)nn4)c24,0.0
71369,CO-ADD:0225417,-4.77,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5ccccc5C)=O,0.0
71370,CO-ADD:0225425,-4.77,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(cc5)ccc5Br)=O,0.0
71371,CO-ADD:0225754,-4.77,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc4ccccc4CC)=O,0.0
71372,CO-ADD:0221683,-4.77,C(CC(C1)CC1)(=O)Nc2cccc(Br)c2,0.0
71373,CO-ADD:0221614,-4.77,C(\C(\C)=N/NC(CCCC)=O)C(NCC)=O,0.0
71374,CO-ADD:0221619,-4.77,C(OCc1ccccc1)(=O)NC(C(=O)NCC(NCCCCC)=O)CC(N)=O,0.0
71375,CO-ADD:0221349,-4.77,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2C(=O)c3cc(Br)ccc3NS(=O)(=O)c4ccc(cc4)Cl,0.0
71376,CO-ADD:0221361,-4.77,c(C(OCC)=O)(c(cc(cc1)OC(C)=O)c1n2Cc3ccccc3)c2C,0.0
71377,CO-ADD:0221659,-4.77,C(=O)(Nc(cc1)ccc1I)Oc2cccc(cccc3)c23,0.0
71378,CO-ADD:0222040,-4.77,C(c1ccccc1)(=O)NC(c2ccccc2)CC(OCc3ccccc3)=O,0.0
71379,CO-ADD:0220436,-4.77,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3ccc(cc3OC)OC,0.0
71380,CO-ADD:0226818,-4.77,C1(=N2)N(C=Cn(nc(c3ccc(cc3)C)c4)c14)C(N2CC(=O)Nc5c(C)cccc5C)=O,0.0
71381,CO-ADD:0225954,-4.77,N12C(C=CC(c3ccc(cc3)C)=N1)=NN(Cc(cc4)ccc4N5CCCC5=O)C2=O,0.0
71382,CO-ADD:0225962,-4.78,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(Cc4cccc(Cl)c4)C2=O,0.0
71383,CO-ADD:0226861,-4.78,N1(c(ccs2)c2C(N3CCCC)=O)C3=NN(CC(=O)c4ccc(cc4)OC)C1=O,0.0
71384,CO-ADD:0229817,-4.78,c1(CC(=O)Nc(cc2)ccc2C)n(C)c3c(cc(cc3)C)c1Sc4ccccc4,0.0
71385,CO-ADD:0236308,-4.78,N(c1cccc(c1)C(=O)OCC(c2ccccc2)=O)(CC(c3ccccc3)=O)N(c4cccc(c4)C(=O)OCC(c5ccccc5)=O)CC(c6ccccc6)=O,0.0
71386,CO-ADD:0234810,-4.78,c1(NC(COC(=O)C(CCSC)NC(C)=O)=O)sc(c2c1C#N)CCCC2,0.0
71387,CO-ADD:0234923,-4.78,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3Br)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
71388,CO-ADD:0234931,-4.78,c1(Nc2ccccc2)nc(N\N=C\c(cccn3)c3)nc(NCc4ccccc4)n1,0.0
71389,CO-ADD:0234732,-4.78,c(\C=N\NC(=O)Cc1cccc(cccc2)c12)(c(C)c(Br)c(c3C)O)c3O,0.0
71390,CO-ADD:0237394,-4.78,Cc1nc([nH]c1C)c2cccc(NCc3ccccc3)c2,0.0
71391,CO-ADD:0237065,-4.78,OC1=C(C(=O)Nc2cccnc2)C(=O)N3CCc4cccc1c34,0.0
71392,CO-ADD:0237404,-4.78,CCOc1ccccc1NC(C)C(=O)Nc2cc(ccc2N3CCOCC3)C(F)(F)F,0.0
71393,CO-ADD:0237406,-4.78,CCOC(=O)c1c(C)c(sc1NC(=O)c2c(F)c(F)c(F)c(F)c2F)C(=O)N,0.0
71394,CO-ADD:0237102,-4.78,CC1=NN(C(=O)C1Cc2cccc3ccccc23)c4nc5ccccc5s4,0.0
71395,CO-ADD:0237205,-4.78,CC1=C(C)C(NC(N2N=C(C)C=C2NC(C3=CC=C(S(=O)(N(CC)CC)=O)C=C3)=O)=N1)=O,0.0
71396,CO-ADD:0221208,-4.78,C(=N\c(cccn1)c1)(/SC=C2c3ccccc3)\N2CC,0.0
71397,CO-ADD:0220915,-4.78,C(NCCNC(COc1ccccc1)=O)(=O)c2ccc(cc2)C,0.0
71398,CO-ADD:0220884,-4.78,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C(/C)\c3ccc(cc3)N,0.0
71399,CO-ADD:0220752,-4.78,c1(O)c(Br)cc(cc1Br)\C=N\NC(CNc(cc2)ccc2C)=O,0.0
71400,CO-ADD:0220520,-4.78,[N+](=O)([O-])c(cc1)cc(c1N(C)C2CCCCC2)\C=N\NC(COc(cc3)ccc3C)=O,0.0
71401,CO-ADD:0220285,-4.78,C(CNc(cc1)ccc1C)(=O)N\N=C\c(ccc(c2OC)O)c2,0.0
71402,CO-ADD:0233653,-4.78,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(=O)Cc3cccc(cccc4)c34,0.0
71403,CO-ADD:0229831,-4.78,c1(CC(=O)NCc2ccccc2)n(C)c(c3c1Sc4ccccc4)cccc3,0.0
71404,CO-ADD:0234370,-4.78,n1c(C)cc(cc1c2ccc(cc2)OCCC)c3ccc(cc3)OCCC,0.0
71405,CO-ADD:0233437,-4.78,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc3ccc(cc3C)C)=O,0.0
71407,CO-ADD:0231784,-4.78,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3Oc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c5cccc(Cl)c5Cl,0.0
71408,CO-ADD:0233276,-4.78,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])C)c1)N(CC2)CCN2S(=O)(=O)c(ccc(c3[N+](=O)[O-])C)c3,0.0
71409,CO-ADD:0231690,-4.78,n1c2c(sc1c3ccc(cc3)\N=C\c(cc(Cl)cc4Br)c4O)ccc(C)c2,0.0
71410,CO-ADD:0233409,-4.78,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])OC,0.0
71411,CO-ADD:0229704,-4.78,c1(NCC(=O)N\N=C\C=C/c2ccccc2)c(Br)cc(cc1Br)Cl,0.0
71412,CO-ADD:0234238,-4.79,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c3cccc(Br)c3,0.0
71413,CO-ADD:0234198,-4.79,c1(\C=N\NC(=O)Cc2cccc(cccc3)c23)cc(Br)cc(C)c1O,0.0
71414,CO-ADD:0233123,-4.79,c1(nonc1N)C(N\N=C\c(cc2)ccc2OC)=N,0.0
71415,CO-ADD:0233587,-4.79,C(COc(ccc(c1C)C)c1)(=O)N\N=C\c(cc2)ccc2O,0.0
71416,CO-ADD:0234638,-4.79,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(CNC(=O)c3ccco3)=O,0.0
71417,CO-ADD:0229667,-4.79,c1([nH]nc(c2ccc(cc2)F)n1)[N+](=O)[O-],0.0
71418,CO-ADD:0227216,-4.79,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c(cc2)ccc2O,0.0
71419,CO-ADD:0227315,-4.79,N(=C(/C)\c1ccc(cc1)Cl)/NC(COc2ccc(cc2OC)Br)=O,0.0
71420,CO-ADD:0231340,-4.79,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(cc2)ccc2OC(c3ccccc3)=O,0.0
71421,CO-ADD:0231297,-4.79,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)NC3CCCCC3,0.0
71422,CO-ADD:0225791,-4.79,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc4cccc(Cl)c4)=O,0.0
71423,CO-ADD:0225807,-4.79,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4cccc(CC)c4)=O,0.0
71424,CO-ADD:0225815,-4.79,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4cccc(Br)c4)=O,0.0
71425,CO-ADD:0225420,-4.79,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc5ccccc5OC)=O,0.0
71426,CO-ADD:0225760,-4.79,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc(cc4)ccc4OC)=O,0.0
71427,CO-ADD:0219469,-4.79,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2CC,0.0
71428,CO-ADD:0219019,-4.79,C(=C\c1ccccc1)(/C2=O)\N=C(O2)C,0.0
71429,CO-ADD:0221972,-4.79,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(cccc4[N+](=O)[O-])c4O,0.0
71430,CO-ADD:0219300,-4.79,C(=O)(Oc(cc1)ccc1C(C)(C)c2ccc(cc2)OC(=O)Nc3ccccc3)Nc4ccccc4,0.0
71431,CO-ADD:0219412,-4.79,N(/NC(CCCC(=O)Nc(cc1)ccc1I)=O)=C\c2ccco2,0.0
71432,CO-ADD:0226002,-4.79,C1(=N2)N(C=CN=C1N3CCCC3)C(N2CC(=O)Nc(cc4)ccc4OCC)=O,0.0
71433,CO-ADD:0226523,-4.79,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCc4ccccc4C,0.0
71434,CO-ADD:0226595,-4.79,c12n(C=CN(c3ccc(cc3)OCC)C1=O)c(nn2)SCC(=O)NCc4ccccc4Cl,0.0
71435,CO-ADD:0226547,-4.79,c1(nnc2SC(C)C(=O)Nc3cc(OC)cc(OC)c3)n2C=CN(c4ccc(cc4)F)C1=O,0.0
71436,CO-ADD:0226827,-4.8,c12n(cnn1)c3c(cccc3)nc2SCC(=O)NCc4ccccc4Cl,0.0
71437,CO-ADD:0236000,-4.8,c1(cc(c2o1)cccc2)C(=O)Oc(ccc3c4OC(C=C3C)=O)c4,0.0
71438,CO-ADD:0229054,-4.8,n1c[nH]nc1I,0.0
71439,CO-ADD:0229933,-4.8,c1(SCC(=O)N\N=C\c(c2c([nH]3)cccc2)c3)sc(c4n1)cccc4,0.0
71440,CO-ADD:0233711,-4.8,n1nc(oc1C(CC2)CCN2C(=O)c3ccc(cc3)OCCN(C)C)C,0.0
71441,CO-ADD:0227162,-4.8,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc(cc2)ccc2OCC,0.0
71442,CO-ADD:0229838,-4.8,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c4cc(OCO5)c5cc4[N+](=O)[O-])\C1=O,0.0
71443,CO-ADD:0237353,-4.8,FC(F)(F)c1cccc(c1)C(=O)NC2CCN(C2)c3ccnc4ccccc34,0.0
71444,CO-ADD:0237268,-4.8,COc1ccc(cc1OC)-c1nnc2ccc(cn12)-c1cccc(c1)C(C)C,0.0
71445,CO-ADD:0237276,-4.8,Cc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3O)o2)no1,0.0
71446,CO-ADD:0237044,-4.8,Clc1ccc(s1)C(=O)Nc2oc(nn2)c3ccc(Cl)s3,0.0
71447,CO-ADD:0237157,-4.8,Cc1cccc(Cn2ccc(NC(=O)c3ccc4OCOc4c3)n2)c1,0.0
71448,CO-ADD:0237409,-4.8,Cc1ccc(cc1)-c1cc(c2cc(ccc2n1)Br)C(=O)Nc1cccnc1,0.0
71449,CO-ADD:0222334,-4.8,N(/c(cc1)c(OC)cc1c2ccc(c(OC)c2)\N=C\c3cccc(I)c3O)=C\c4cccc(I)c4O,0.0
71450,CO-ADD:0219786,-4.8,[N+](=O)([O-])c1ccccc1\C=N\NC(CCc2ccccc2)=O,0.0
71451,CO-ADD:0220543,-4.8,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(cc(Br)c(c2Br)O)c2O)c1,0.0
71452,CO-ADD:0220288,-4.8,N(/NC(CCCCCCCCCCCCC)=O)=C\c1ccco1,0.0
71453,CO-ADD:0219841,-4.81,c1(cc(C)ccc1C(C)C)OCC(=O)Nc(cc2)ccc2Br,0.0
71454,CO-ADD:0236496,-4.81,c(sc(c1c2ccc(cc2)OC)c(cc3)ccc3[N+](=O)[O-])(NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
71455,CO-ADD:0236504,-4.81,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4c(C)cc(cc4C)C,0.0
71456,CO-ADD:0236507,-4.81,C1(N(c2ccccc2)CCN1c3ccccc3)c4cc(Br)c(cc4OC)OC,0.0
71457,CO-ADD:0231591,-4.81,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\c3ccccc3,0.0
71458,CO-ADD:0233319,-4.81,N#CC(C)(CC#N)c1ccc(cc1)OCCC,0.0
71459,CO-ADD:0233135,-4.81,c12c(CCNC1c3ccccc3)[nH]cn2,0.0
71460,CO-ADD:0232930,-4.81,N1(CC=C)C(=O)\C(\SC1=S)=C\c(ccc2c3cccc(Cl)c3Cl)o2,0.0
71461,CO-ADD:0236184,-4.81,c1(Br)c(C)c(C)c(c(C)c1C)CO\N=C(\c2ccccc2)/c3ccccc3,0.0
71462,CO-ADD:0233070,-4.81,C(c1ccc(cc1Cl)Cl)(Nc(cccc2)c2C3(c4ccccc4)c5ccccc5)O3,0.0
71463,CO-ADD:0236177,-4.81,c1(OCC(=O)OCC(=O)c2ccc(cc2)Cl)c(C)cc(cc1C)C,0.0
71464,CO-ADD:0232993,-4.81,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3CCNC(=O)C(=O)Nc(cc4)ccc4F,0.0
71465,CO-ADD:0229386,-4.81,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(c4)c(O)c(cc4[N+](=O)[O-])Br,0.0
71466,CO-ADD:0227666,-4.81,N1(c2ccccc2OC)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
71467,CO-ADD:0227662,-4.81,n1(Cc2ccccc2)c(cccc3)c3c(SC)c1CC(=O)Nc(cc4)ccc4OC,0.0
71468,CO-ADD:0227325,-4.81,c1(\C=N\NC(CNc2cccc(cccc3)c23)=O)c(O)ccc(cccc4)c14,0.0
71469,CO-ADD:0231798,-4.81,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3C(OC)=O)c4cccc(Cl)c4Cl,0.0
71470,CO-ADD:0231249,-4.81,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc3ccc(cc3C)C,0.0
71471,CO-ADD:0231242,-4.81,N(=C\c(cc1)ccc1OCc(cc2)ccc2F)/Nc3ccccc3,0.0
71472,CO-ADD:0227277,-4.81,c1(\C=N\NC(COc2ccc(cc2OC)Br)=O)cc(Cl)ccc1O,0.0
71473,CO-ADD:0229662,-4.81,C(COc(ccc(c12)cccc1)c2)(=O)N\N=C\c3ccc(cc3OCCC)OCCC,0.0
71474,CO-ADD:0221128,-4.81,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCN3C\C=C\c4ccccc4)C1=O,0.0
71475,CO-ADD:0221095,-4.81,C(=S)(c1ccc(cc1)N)N2CCCCC2,0.0
71476,CO-ADD:0221794,-4.81,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)ccc2F,0.0
71477,CO-ADD:0219052,-4.81,c1(c(C)cc(cc1C)C)NC(=O)C\C(\C)=N\NC(CCCC)=O,0.0
71478,CO-ADD:0221044,-4.81,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
71479,CO-ADD:0220938,-4.81,C(=N/NC(=O)c1ccc(c2n1)cccc2)(/C3=O)\c(cc(Br)cc4C)c4N3,0.0
71480,CO-ADD:0221170,-4.81,C(C(OCC)=O)(C(c1ccccc1)N(CCS2)C2=N3)=C3C.Br,0.0
71481,CO-ADD:0219363,-4.81,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2N(C)C,0.0
71482,CO-ADD:0219389,-4.81,[N+](=O)([O-])c1cccc(c1)NC(=O)C\C(\C)=N\NC(CCCC)=O,0.0
71483,CO-ADD:0219372,-4.81,C(=O)(N\N=C\C=C(/O)\c1ccc(cc1)C)c2ccc(cc2)O,0.0
71484,CO-ADD:0226532,-4.81,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCc4cccc(OC)c4,0.0
71485,CO-ADD:0226580,-4.81,c12n(C=CN(c3ccc(c(C)c3)C)C1=O)c(nn2)SCC(N)=O,0.0
71486,CO-ADD:0226796,-4.82,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4cccc(CC)c4)c(nn1)C(C)C,0.0
71487,CO-ADD:0225983,-4.82,n12c(ccc(c3ccccc3)n1)nnc2CCC(=O)NC(CC4)CCN4C(=O)OC(C)(C)C,0.0
71488,CO-ADD:0225601,-4.82,C1(=N2)N(C=CN=C1Oc3ccccc3)C(N2CC(=O)Nc4cccc(OC)c4)=O,0.0
71489,CO-ADD:0225548,-4.82,n1(c(ccc2C(=O)Nc3cccc(F)c3)nnc1SCC(=O)Nc4c(C)cccc4C)c2,0.0
71490,CO-ADD:0225689,-4.82,C1(=N2)N(C=CN=C1Oc3cccc(C)c3C)C(N2CC(=O)NCc(cc4)ccc4SC)=O,0.0
71491,CO-ADD:0226772,-4.82,c1(C2=O)n(c(nn1)CCC)c3c(cccc3)N2CC(=O)Nc4cccc(Br)c4,0.0
71492,CO-ADD:0237329,-4.82,FC(F)(F)c1nc(oc1C(=O)Nc2ccc(nc2)N3CCNCC3)c4ccccc4.Cl,0.0
71493,CO-ADD:0237112,-4.82,COc1ccc(OC(C)C(=O)Nc2ccc(Cl)cc2C)cc1,0.0
71494,CO-ADD:0237332,-4.82,CN(C)CCNC(=O)N1CCCN(CC1)c2ncnc3cc(sc23)c4ccccc4,0.0
71495,CO-ADD:0234834,-4.82,C(=O)(Oc1cccc(c1)\C=N\NC(COc2c(C)cccc2C)=O)c3cccc(F)c3,0.0
71496,CO-ADD:0230904,-4.82,[N+](=O)([O-])c1c(NCCCN(C)C)ccc(Cl)c1.Cl,0.0
71497,CO-ADD:0232943,-4.82,c1(c2)c(cc(OC)c2NC(=O)C\C(\C)=N\NC(COc3ccc(cc3Cl)Cl)=O)c4c(cccc4)o1,0.0
71498,CO-ADD:0220638,-4.82,C(=N\NC(COc1c(C(C)C)cc(c(C)c1Br)Br)=O)(/c(cccc2C)c2N3)\C3=O,0.0
71499,CO-ADD:0222419,-4.82,C(=O)(N\N=C\c1cc(Br)ccc1OC(=O)c2ccc(cc2)Br)C(O)(c3ccccc3)c4ccccc4,0.0
71500,CO-ADD:0219141,-4.82,C(=O)(N\N=C\c1cccc(Br)c1)C(=O)Nc2cccc(F)c2,0.0
71501,CO-ADD:0219127,-4.82,C(=O)(Nc1cccc(c1)NC(=O)Nc2ccccc2F)Nc3ccccc3F,0.0
71502,CO-ADD:0218906,-4.82,N(=C(/C)\c1cc(C)ccc1C)/NC(=O)c2ccc(cc2)Cl,0.0
71503,CO-ADD:0219607,-4.83,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc(c(C)ccc2[N+](=O)[O-])c2,0.0
71504,CO-ADD:0236289,-4.83,[N+](=O)([O-])c(ccc(c1\C=N\c(c(Cl)cc(c2NC(c3ccccc3)=O)Cl)c2)O)c1,0.0
71505,CO-ADD:0233415,-4.83,c(cc(Br)cc1Cl)(\C=N\c2c(O)ccc(C(C)CCC)c2)c1O,0.0
71506,CO-ADD:0234509,-4.83,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccccc4C(O)=O,0.0
71507,CO-ADD:0229554,-4.83,c1(NC(=O)C2=Cc(cccc3CC=C)c3OC2=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
71508,CO-ADD:0234354,-4.83,c1(C(O)=O)cc(COC(C2)(C)C)c2nc1N,0.0
71509,CO-ADD:0234233,-4.83,C(=O)(Oc1cccc(c1)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4cccc(Br)c4,0.0
71510,CO-ADD:0234437,-4.83,c1(N\N=C\c2cccc(OC)c2OC)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
71511,CO-ADD:0231402,-4.83,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(c(O)ccc4[N+](=O)[O-])c4,0.0
71512,CO-ADD:0227948,-4.83,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/C=C/c4ccccc4[N+](=O)[O-],0.0
71513,CO-ADD:0233594,-4.83,n(c1c([nH]2)cccc1)c2CCCCCCCCCCCCCC,0.0
71514,CO-ADD:0234665,-4.83,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)c4c(O)cc(c5c4)cccc5,0.0
71515,CO-ADD:0227664,-4.83,P(O)(=O)(CN1CCCCC1)CN2CCCCCC2=O,0.0
71516,CO-ADD:0229820,-4.83,S(=O)(=O)(N(CC)CC)c(cc1)ccc1c2csc(Nc(cc3)ccc3F)n2,0.0
71517,CO-ADD:0229772,-4.83,c1(NC(CN(CCCCCC)CCCCCC)=O)c2c(cccc2)nc(CC)c1C,0.0
71518,CO-ADD:0227647,-4.83,N(Cc1ccccc1)(C(=O)C(C23)C(C=C4)OC24CNC(COc5ccc(cc5Cl)Cl)=O)C3=O,0.0
71519,CO-ADD:0227634,-4.83,c1(c2ccc(cc2)Cl)nc(sc1c(cc3)ccc3[N+](=O)[O-])N,0.0
71520,CO-ADD:0236007,-4.83,N1(CC(=O)Oc(cc2)ccc2C(OC)=O)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
71521,CO-ADD:0229601,-4.83,c12c(c(nn1c3ccccc3)C)cc(C(=O)NC4CCCCC4)s2,0.0
71522,CO-ADD:0227821,-4.83,N1\C(=N/N=C/c2ccccc2)\S\C(=C\c(ccc3c(cc4)ccc4C(O)=O)o3)\C1=O,0.0
71523,CO-ADD:0231321,-4.83,S(=O)(=O)(c1ccc(cc1)C)Oc2ccccc2\C=N/c3cccc(C)c3,0.0
71524,CO-ADD:0231227,-4.83,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2cccc(O)c2)c3cccc(cccc4)c34,0.0
71525,CO-ADD:0231199,-4.83,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)NCC(=O)N\N=C(\CC)/CC,0.0
71526,CO-ADD:0231336,-4.83,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(ccc(c2OC)OCC=C)c2,0.0
71527,CO-ADD:0222172,-4.84,c1(cc(Br)cc(\C=N\c(ccc2c3oc(n2)c4ccc(cc4)Cl)c3)c1O)[N+](=O)[O-],0.0
71528,CO-ADD:0222375,-4.84,c1(oc(c2n1)ccc(c2)\N=C\c3c(O)cc(c(Cl)c3C)C)c4ccc(cc4Cl)Cl,0.0
71529,CO-ADD:0225168,-4.84,C1(=N2)N(C=CN(c3ccc(cc3)OCC)C1=O)C(N2CC(=O)Nc(cc4)ccc4Br)=O,0.0
71530,CO-ADD:0226230,-4.84,S(=O)(=O)(N(c1ccc(cc1)OC)Cc2ccccc2F)c(ccc3n4c(CC)nn3)c4,0.0
71531,CO-ADD:0226286,-4.84,S(=O)(=O)(N(Cc1ccccc1F)c2ccc(c(F)c2)F)c(ccc3n4c(C)nn3)c4,0.0
71532,CO-ADD:0220998,-4.84,c1(O)c(Br)c(\C=N\NC(COc2ccc(cc2OC)Br)=O)cc(Br)c1O,0.0
71533,CO-ADD:0220056,-4.84,C(=O)(Nc1ccc(cn1)Cl)c2ccccc2Br,0.0
71534,CO-ADD:0219458,-4.84,C(COC1=CCCC1)(=O)N\N=C\c(cc2)ccc2O,0.0
71535,CO-ADD:0221148,-4.84,[C@@]1(C#N)(C#N)[C@H](c2ccc(cc2)Br)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(c5ccccc5)=O,0.0
71536,CO-ADD:0221131,-4.84,N(\C(=N/c(cccc1C(F)(F)F)c1)\C2(N3c4ccc(cc4)C)CCCCC2)=C3SC.I,0.0
71537,CO-ADD:0226868,-4.84,C1(=N2)N(c3c(cccc3)N=C1N(CC4)CCS4)C(N2CC(=O)Nc5cc(C)ccc5OC)=O,0.0
71538,CO-ADD:0226525,-4.84,c12n(C=CN(c3ccc(cc3)Br)C1=O)c(nn2)SCc4cccc(F)c4,0.0
71539,CO-ADD:0226797,-4.84,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc(cc4)ccc4CC)c(nn1)C(C)C,0.0
71540,CO-ADD:0226856,-4.84,N1(c(ccs2)c2C(N3CCC(C)C)=O)C3=NN(CC(=O)c4ccc(cc4)OCC)C1=O,0.0
71541,CO-ADD:0226642,-4.84,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4cccc(C)c4,0.0
71542,CO-ADD:0226682,-4.84,C1(=NN(C2=O)Cc3cccc(OC)c3)N2C=CN(c4cccc(Cl)c4C)C1=O,0.0
71543,CO-ADD:0226434,-4.84,c12n(C=CN(c3ccccc3OC)C1=O)c(nn2)SCC(=O)NCc(cc4)ccc4Cl,0.0
71544,CO-ADD:0225501,-4.84,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5c(OC)ccc(OC)c5)=O,0.0
71545,CO-ADD:0225645,-4.85,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4c(OC)cc(c(Cl)c4)OC)=O,0.0
71546,CO-ADD:0232863,-4.85,C1(\N=C\c(ccc2Sc3sc(c4n3)cccc4)o2)=C(C)N(N(c5ccccc5)C1=O)C,0.0
71547,CO-ADD:0233097,-4.85,C12(O)C(O)(c3c(cccc3)C1=O)NC(C)=C2C(OC)=O,0.0
71548,CO-ADD:0232887,-4.85,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccccc2)c3ccc(cc3Cl)Cl,0.0
71549,CO-ADD:0237334,-4.85,COC(=O)c1cccc2oc(nc12)c3cccc(OC)c3NC(=O)c4cc(on4)c5ccccc5,0.0
71550,CO-ADD:0237263,-4.85,CC(C)N(Cc1ccccn1)Cc2csc(n2)c3oc(C)cc3,0.0
71551,CO-ADD:0237183,-4.85,Clc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=S)NCc3occc3,0.0
71552,CO-ADD:0220492,-4.85,c1(Br)c(Cl)c(Br)cc(Br)c1OCC(=O)N\N=C\c2cccc(OC)c2,0.0
71553,CO-ADD:0220857,-4.85,C(OCCCCCCCCCC)(=O)c1ccc(cc1)NC(CCCCCCCCC)=O,0.0
71554,CO-ADD:0222218,-4.85,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
71555,CO-ADD:0220009,-4.85,c1(ccccc1Br)C(=O)NCC(=O)N\N=C/c(cc2)ccc2Cl,0.0
71556,CO-ADD:0222498,-4.85,c1(c2ccc(c3c2)cccc3)oc4c(ccc(c4)\N=C\c5cccc(I)c5O)n1,0.0
71557,CO-ADD:0220544,-4.85,c1(\C=N\NC(CNc(cc2)ccc2C)=O)c(OCC)ccc(cccc3)c13,0.0
71558,CO-ADD:0236402,-4.85,[N+](=O)([O-])c1cccc(C(=O)COC(=O)c2ccccc2NC(c3ccccc3)=O)c1,0.0
71559,CO-ADD:0233681,-4.85,c1(ccc(cc1Cl)Cl)C(NN)=O,0.0
71560,CO-ADD:0233435,-4.85,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c(cc3OC)cc(c3OC)OC,0.0
71561,CO-ADD:0233178,-4.85,c1(non2)c2nc(Nc3ccccc3)c(Nc4ccccc4)n1,0.0
71562,CO-ADD:0229611,-4.85,c1(Nc2ccccc2OC)c(c(C)nc(Nc3ccc(cc3C)O)n1)[N+](=O)[O-],0.0
71563,CO-ADD:0227837,-4.85,C1(=Cc2c(OC1=O)ccc(cc3[N+](=O)[O-])c2cc3)c4[nH]c5c(ccc(C)c5)n4,0.0
71564,CO-ADD:0231455,-4.85,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(=O)c(ccc(c34)OCCO3)c4,0.0
71565,CO-ADD:0236222,-4.85,C12(c3c(NC1=O)cccc3)C(C(=O)OCc4ccccc4)=C(C)OC(N)=C2C(=O)OC(C)C,0.0
71566,CO-ADD:0234369,-4.85,C(=C\c(cc1)ccc1OCCCCCCCCC)(/c2c(c34)c(ccc2)ccc3)\C4=O,0.0
71567,CO-ADD:0233523,-4.85,C(=O)(Oc1ccc(cc1\C=N\NC(=O)c(c2)cc(cn2)Br)Br)c3ccco3,0.0
71568,CO-ADD:0234145,-4.85,c(\C=N\NC(=O)c(ccc(n1)C)c1)(cc(I)cc2I)c2O,0.0
71569,CO-ADD:0234082,-4.85,[N+](=O)([O-])c1ccccc1C(NN)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
71570,CO-ADD:0234047,-4.85,C(=O)(C[P+](CCCC)(CCCC)CCCC)c1ccc(cc1)N.[I-],0.0
71571,CO-ADD:0231602,-4.86,n1c2c([nH]c1c3ccc(cc3)F)ccc(c2)\N=C\c4cc(I)ccc4O,0.0
71572,CO-ADD:0227278,-4.86,N(=C(/C)\c1ccc(cc1)Br)/NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
71573,CO-ADD:0229582,-4.86,n1c2c(oc1c3ccc(cc3)C)ccc(c2)NC(=O)c4ccc(cc4Cl)Cl,0.0
71574,CO-ADD:0227582,-4.86,c1(c(Br)cc(cc1\C=N/NC(COc2cccc(Cl)c2)=O)Br)OC(c3ccccc3)=O,0.0
71575,CO-ADD:0231296,-4.86,S(=O)(=O)(c1ccc(cc1)C)Oc2ccccc2\C=N/c3ccccc3,0.0
71576,CO-ADD:0227064,-4.86,c1(SCC(c2ccccc2)=O)sc(c3n1)cccc3,0.0
71577,CO-ADD:0227113,-4.86,c1(NC(CSc2nc(C)cc(C)n2)=O)sc(c3c1C#N)CCCC3,0.0
71578,CO-ADD:0226383,-4.86,N1(C(C)=CC(=N2)Nc(cc3)ccc3F)C2=NN(Cc(cccc4C#N)c4)C1=O,0.0
71579,CO-ADD:0225247,-4.86,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc(cc4)ccc4C)C2=O,0.0
71580,CO-ADD:0225896,-4.86,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)Nc4cccc(C)c4)C2=O,0.0
71581,CO-ADD:0225176,-4.86,c12n(C=CN(c3ccc(c(F)c3)F)C1=O)c(nn2)c(cc4)ccc4[N+](=O)[O-],0.0
71582,CO-ADD:0226260,-4.86,S(=O)(=O)(N(c1cccc(F)c1)Cc2ccccc2Cl)c(ccc3n4c(C)nn3)c4,0.0
71583,CO-ADD:0219325,-4.86,c1(SCC(=O)Nc(cc2)ccc2OC)nc(cc(C)c1C#N)C(F)(F)F,0.0
71584,CO-ADD:0219308,-4.86,C1(N(CC2)CCO2)=N\C(=N/N=C/c(cc3)ccc3C)\NC(Nc4ccccc4)=N1,0.0
71585,CO-ADD:0221812,-4.86,S(CCCCCCCCCC)(=O)(=O)N\N=C\c1c(O)ccc(cccc2)c12,0.0
71586,CO-ADD:0220947,-4.86,C(=N/NC(COc1c(Br)cc(cc1Br)C)=O)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
71587,CO-ADD:0220960,-4.86,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(cc(I)cc3I)c3OC,0.0
71588,CO-ADD:0219407,-4.86,N(C(CCC(OC)=O)=O)c1ccc(cc1C)I,0.0
71589,CO-ADD:0218089,-4.86,n1cc(ccc1N\C=C/C(=O)c2cccc(OC)c2)Cl,0.0
71590,CO-ADD:0218567,-4.86,C(=C/c(ccc(c1OC)OC)c1)(/NC(c2ccccc2)=O)\C(=O)Nc3cccc(C)c3,0.0
71591,CO-ADD:0225555,-4.86,N12C(C=CC(C(=O)Nc(cc3)ccc3OC)=C1)=NN(CC(=O)Nc4ccccc4C(OCC)=O)C2=O,0.0
71592,CO-ADD:0225299,-4.86,c12n(c(nn1)SCC(=O)Nc3c(F)ccc(F)c3)c4c(ccc(c4)C(=O)NC5CCCC5)C(=O)N2C,0.0
71593,CO-ADD:0226616,-4.86,c1(nnc2SC(C)C(=O)Nc3cc(OC)cc(OC)c3)n2C=CN(c4ccc(cc4)OCC)C1=O,0.0
71594,CO-ADD:0225280,-4.86,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc(cc(C)c(c3)Cl)c3OC)C2=O,0.0
71595,CO-ADD:0231081,-4.86,C(c1ccccc1)(=O)NCC(=O)NCC(NC)=O,0.0
71596,CO-ADD:0237264,-4.86,COc1cc(Br)cc2C=C(C(=O)Nc3cccc(c3)C(F)(F)F)C(=O)Oc12,0.0
71597,CO-ADD:0237185,-4.86,CN1CCN(CC1)C(c2cccs2)c3c(C)[nH]c4ccccc34,0.0
71598,CO-ADD:0236202,-4.87,N12C(S\C(=C/c3c(cccc3F)Cl)\C1=O)=C(C(c4c(cccc4Cl)F)C(C#N)=C2N)C#N,0.0
71599,CO-ADD:0231741,-4.87,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(ccc(c4Br)OC)c4,0.0
71600,CO-ADD:0237425,-4.87,Sc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1,0.0
71601,CO-ADD:0232918,-4.87,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)Nc3ccccc3CC,0.0
71602,CO-ADD:0221005,-4.87,o1c(C)ccc1\C=N\NC(COc2ccc(cc2OC)Br)=O,0.0
71603,CO-ADD:0222767,-4.87,C(=N\NC(COc1c(Cl)cc(cc1Cl)Cl)=O)(/c(cc(C)cc2Br)c2N3C)\C3=O,0.0
71604,CO-ADD:0222465,-4.87,c1(non2)c2nc(Nc(cc3)ccc3F)c(N\N=C\c(ccc(c4Br)OC)c4)n1,0.0
71605,CO-ADD:0219104,-4.87,C(=O)(N\N=C\c1ccccc1)N\N=C\c2ccccc2,0.0
71606,CO-ADD:0219728,-4.87,C(=O)(N\N=C(/C)\CC(=O)NCc1ccccc1)C(=O)Nc2cccc(Cl)c2C,0.0
71607,CO-ADD:0219677,-4.87,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(COc3cc(C)ccc3C(C)C)=O,0.0
71608,CO-ADD:0227332,-4.87,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(cc3)ccc3N(C)C,0.0
71609,CO-ADD:0229738,-4.87,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C/Nc4cc(C)ccc4C,0.0
71610,CO-ADD:0231838,-4.88,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c4cc(I)ccc4O,0.0
71611,CO-ADD:0227410,-4.88,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(cc3)ccc3C(O)=O,0.0
71612,CO-ADD:0227979,-4.88,c1(\C=N\NC(COc2ccc(cc2OC)Br)=O)c(OCC)ccc(cccc3)c13,0.0
71613,CO-ADD:0229367,-4.88,N1(CN(c2ccccc2)c3ccccc3)C(=S)OC(c4ccccc4O)=N1,0.0
71614,CO-ADD:0236735,-4.88,c12n(ncn1N)c(nn2)SCC(=O)Nc3nnc(CC)s3,0.0
71615,CO-ADD:0231164,-4.88,C(=O)(N\N=C\c1ccc(cc1OC)O)c2ccc(cc2)Br,0.0
71616,CO-ADD:0231154,-4.88,C(=O)(c1ccc(cc1)Br)Nc2c(C)ccc(Cl)c2,0.0
71617,CO-ADD:0231463,-4.88,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(ccc(c4Cl)Cl)c4,0.0
71618,CO-ADD:0229493,-4.88,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3,0.0
71619,CO-ADD:0232850,-4.88,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2C)N(CC3)CCN3C,0.0
71620,CO-ADD:0231736,-4.88,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(Cl)c2)=O)N(CC(C)C)CC(C)C)c1,0.0
71621,CO-ADD:0227128,-4.88,c12c(c3c(cccc3)[nH]1)nnc(SCC=C)n2,0.0
71622,CO-ADD:0227406,-4.88,C(CNc1ccccc1C)(=O)N\N=C\c(ccc(c2O)O)c2,0.0
71623,CO-ADD:0229252,-4.88,C(=O)(Nc1cccc(N)c1)c2ccccc2OC,0.0
71624,CO-ADD:0231728,-4.88,C1(C(c2cccc(I)c2)C3=C(C)N(N(c4ccccc4)C3=O)C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
71625,CO-ADD:0231748,-4.88,c1(c(ccc(c1)[N+](=O)[O-])Oc2ccc(cc2OCC)\C=N\c(ccc(c34)oc(c5cccc(F)c5)n3)c4)[N+](=O)[O-],0.0
71626,CO-ADD:0226268,-4.88,S(=O)(=O)(N(Cc(cc1)ccc1C=C)c2ccc(cc2)F)c(ccc3n4c(C)nn3)c4,0.0
71627,CO-ADD:0225209,-4.88,N1(c(cccc2)c2C(N3CCC(=O)NC4CCCCC4)=O)C3=NN(CC#N)C1=O,0.0
71628,CO-ADD:0225222,-4.88,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc(cc(C)cc4C)c4)C2=O,0.0
71629,CO-ADD:0225238,-4.88,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)NCc(ccc(c45)OCO4)c5)C2=O,0.0
71630,CO-ADD:0220006,-4.88,N1(CN2CCCCC2)c3c(OC1=O)ccc(Cl)c3,0.0
71631,CO-ADD:0218647,-4.88,C(=O)(c1cccc(Br)c1)N\N=C(/C)\CC(=O)Nc(cc2)ccc2F,0.0
71632,CO-ADD:0218525,-4.89,c1(c(C)ccc(Cl)c1)NC(CCC(=O)N\N=C\c(cc2)ccc2F)=O,0.0
71633,CO-ADD:0218557,-4.89,C(F)(F)(C(CF)(F)F)C(F)(F)C(F)OC(=O)Nc(ccc(c1Cl)OC)c1,0.0
71634,CO-ADD:0218173,-4.89,c1(C(c2ccccc2)=O)csc(C(C)=O)c1,0.0
71635,CO-ADD:0218562,-4.89,C(=O)(Oc(ccc(c1C)C)c1)Nc(ccc(c2Cl)Cl)c2,0.0
71636,CO-ADD:0218610,-4.89,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(\CCCCC)/c2ccccc2)[N+](=O)[O-],0.0
71637,CO-ADD:0226992,-4.89,N1(c(ccs2)c2C(N3CC(C)C)=O)C3=NN(CC(=O)NC(C)C)C1=O,0.0
71638,CO-ADD:0225531,-4.89,n(c1c(cccc1)nc2SCc3c(C)oc(c4ccc(cc4)OCC)n3)(c(C(C)C)nn5)c25,0.0
71639,CO-ADD:0225643,-4.89,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)Nc4ccc(cc4Br)C)=O,0.0
71640,CO-ADD:0225452,-4.89,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)N(CC5)CCN5c6ccc(cc6)F)=O,0.0
71641,CO-ADD:0226413,-4.89,C1(=NN(C2=O)Cc3cccc(Cl)c3)N2C=CN(c4ccccc4)C1=O,0.0
71642,CO-ADD:0232904,-4.89,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(OC)c2)c3ccc(cc3Cl)Cl,0.0
71643,CO-ADD:0233075,-4.89,C(C(OCC)=O)(C1c2ccccc2)=C(C)N(C(C)=C1C(OCC)=O)c3ccc(cc3)OC,0.0
71644,CO-ADD:0233086,-4.89,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(\C2CCN3CC2)/C3)[N+](=O)[O-],0.0
71645,CO-ADD:0234828,-4.89,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)Cc2cccc(cccc3)c23)c4cccc(F)c4,0.0
71646,CO-ADD:0232959,-4.89,C1(NC(=O)c(cc2)ccc2C(C)(C)C)=C(C)N(N(c3ccccc3)C1=O)C,0.0
71647,CO-ADD:0233099,-4.89,c1(N(c2ccccc2)c3ccccc3)nc(Cl)nc(N(CC4)CCO4)n1,0.0
71648,CO-ADD:0218962,-4.89,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/C)\Nc2c(Cl)ccc(Cl)c2)[N+](=O)[O-],0.0
71649,CO-ADD:0219556,-4.89,[N+](=O)([O-])c(cc1)ccc1C(OCCNC(CCCCCCC(NCCOC(=O)c(cc2)ccc2[N+](=O)[O-])=O)=O)=O,0.0
71650,CO-ADD:0219838,-4.89,C(COc1ccccc1)(=O)Nc2cccc(C)c2,0.0
71651,CO-ADD:0219777,-4.89,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(CSCc3cccc(Cl)c3)=O,0.0
71652,CO-ADD:0219086,-4.89,[N+](=O)([O-])c1ccccc1\C=N\NC(COc2cc(C)c(cc2C(C)C)Br)=O,0.0
71653,CO-ADD:0220522,-4.89,c1(Br)ccc(\C=N\NC(CNc2cccc(C)c2)=O)o1,0.0
71654,CO-ADD:0231853,-4.89,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
71655,CO-ADD:0227741,-4.89,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2C)\C(N1c3ccc(cc3)OCC)=O,0.0
71656,CO-ADD:0227092,-4.89,c1(c(C)nn2c3ccccc3)c2OC(=C(C#N)C14c5c(NC4=O)ccc(Cl)c5)N.[Na+],0.0
71657,CO-ADD:0227137,-4.89,C(=O)(N\N=C\c1ccccc1)C(NCCOC)=O,0.0
71658,CO-ADD:0229391,-4.89,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)NC(=O)c4cccc(C)c4,0.0
71659,CO-ADD:0231816,-4.89,c1(OCC(=O)N\N=C\c2cc(Cl)ccc2O)c(OC)cc(cc1Br)Br,0.0
71660,CO-ADD:0236792,-4.89,N1(c2ccc(cc2)F)C(=O)c3c(cc(c(Cl)c3)Cl)C1=O,0.0
71661,CO-ADD:0236210,-4.9,N12C(S\C(=C/c3cc(Br)ccc3F)\C1=O)=C(C(c4cc(Br)ccc4F)C(C#N)=C2N)C#N,0.0
71662,CO-ADD:0231854,-4.9,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(cc4)ccc4\C=N\c(ccc(c5n6)oc6c7ccccc7C)c5,0.0
71663,CO-ADD:0237024,-4.9,O[C@@H](C(N/C=C/C(NCCC1=CC=CC=C1)=O)=O)C(C)(C)CO,0.0
71664,CO-ADD:0234966,-4.9,c1(ccc(C(=O)Oc(cc2)ccc2\C=N\NC(COc3c(C)cccc3C)=O)o1)[N+](=O)[O-],0.0
71665,CO-ADD:0236001,-4.9,n1c(N)c(C#N)cc(C#N)c1SCC(=O)Nc2cccc(OC)c2,0.0
71666,CO-ADD:0229615,-4.9,n1(c(cccc2C(F)(F)F)c2)c(c3ccccc3)cc4c1CC(C)(C)CC4=O,0.0
71667,CO-ADD:0227844,-4.9,C(CSCc1ccccc1)(=O)N\N=C(/C)\C=C\c2ccccc2F,0.0
71668,CO-ADD:0229229,-4.9,N1(c2ccc(cc2)NC(C)=O)C(c3ccccc3)C(=C(Nc(cc4)ccc4NC(C)=O)C1=O)CC(O)=O,0.0
71669,CO-ADD:0227438,-4.9,c1(C)c(Br)cc(cc1Br)NCC(=O)N\N=C(\CCCC2)/C2,0.0
71670,CO-ADD:0231706,-4.9,c1(C(=O)N\N=C\c2cccc(Br)c2)nn(c(c3ccccc3)n1)c4ccccc4,0.0
71671,CO-ADD:0231749,-4.9,N(\C(=C/c1cccc(C)c1)\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
71672,CO-ADD:0226398,-4.9,n(c1c(cccc1)nc2SCC(=O)Nc3ccccc3C(OC)=O)(c(C(C)C)nn4)c24,0.0
71673,CO-ADD:0226250,-4.9,S(=O)(=O)(N(Cc1cccc(C)c1)c2cccc(F)c2)c(ccc(n3c4)nn4)c3,0.0
71674,CO-ADD:0225402,-4.9,c12n(ccn(nc(c3ccc(cc3)F)c4)c14)c(nn2)SCC(=O)Nc5ccccc5C(F)(F)F,0.0
71675,CO-ADD:0219516,-4.9,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(COc2cc(C)ccc2C(C)C)=O,0.0
71676,CO-ADD:0221086,-4.9,c1(\C=N\NC(=O)c(cc2OC)cc(c2OC)OC)c[nH]c(ccc(Br)c3)c13,0.0
71677,CO-ADD:0220943,-4.9,C(=N/NC(COc(cc1)c(C)cc1C(C)(C)C)=O)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
71678,CO-ADD:0220192,-4.9,N(\C(=C/c(ccc(c12)cccc1)c2)\C(O3)=O)=C3c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
71679,CO-ADD:0221879,-4.9,N1(CNc2cccc(Cl)c2)C(=O)\C(\NC1=S)=C/c3ccccc3,0.0
71680,CO-ADD:0219136,-4.9,c1(C)c(cccc1NC(CCC(=O)N\N=C\c(cc2)ccc2Br)=O)Cl,0.0
71681,CO-ADD:0218649,-4.9,C(=O)(N\N=C(/C)\CC(=O)Nc1ccc(cc1Cl)Cl)C(=O)Nc(cc2)ccc2C,0.0
71682,CO-ADD:0218622,-4.9,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C(\CCCC3)/C3)c1,0.0
71683,CO-ADD:0218054,-4.91,c12c(c3c(cccc3)[nH]1)nnc(SCC(OCC)=O)n2,0.0
71684,CO-ADD:0218638,-4.91,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c3ccccc3)c1,0.0
71685,CO-ADD:0218774,-4.91,C(=O)(C\C(\C)=N\NC(CCc1ccccc1)=O)Nc2ccccc2CC,0.0
71686,CO-ADD:0218547,-4.91,C1(=O)N(CC(NN)=O)c(c2N1CC(NN)=O)cccc2,0.0
71687,CO-ADD:0226689,-4.91,C1(=NNC2=S)N2c3c(ccc(c3)C(=O)NC4CCCC4)C(=O)N1CCC(C)C,0.0
71688,CO-ADD:0226445,-4.91,c12n(C=CN(c3cccc(OC)c3)C1=O)c(nn2)SCC(=O)c4ccc(cc4C)C,0.0
71689,CO-ADD:0225294,-4.91,N1(c2c(ccc(c2)C(=O)NC3CCCC3)C(N4C(C)C)=O)C4=NN(Cc(cccc5C(F)(F)F)c5)C1=O,0.0
71690,CO-ADD:0226654,-4.91,c12n(C=CN(c3ccccc3)C1=O)c(nn2)SCC(=O)Nc4ccc(c(OC)c4)OC,0.0
71691,CO-ADD:0236756,-4.91,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2ccc(cc2C)C)c3c(OC)ccc(OC)c3,0.0
71692,CO-ADD:0232920,-4.91,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)Nc3ccccc3,0.0
71693,CO-ADD:0232889,-4.91,S(c1ccccc1)(=O)(=O)N(CC(=O)NC(C)CC)c2ccc(cc2Cl)Cl,0.0
71694,CO-ADD:0234235,-4.91,c1(c(O)c(\C=N\c2ccccc2O)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
71695,CO-ADD:0236569,-4.91,C1(C#N)(C#N)[C@H](c2cccc(Cl)c2Cl)C(C3)C(C(C#N)=C1N)=CCN3C(C)C,0.0
71696,CO-ADD:0236618,-4.91,C(C#N)([C@H](c1cccs1)[C@H]2C(OCC)=O)=C(SCc(cc3)ccc3F)N[C@]2(C)O,0.0
71697,CO-ADD:0220494,-4.91,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2CC)=O)N(CC3)CCO3)c1,0.0
71698,CO-ADD:0219118,-4.91,c1(C(F)(F)F)nnc(N)s1,0.0
71699,CO-ADD:0219167,-4.91,c1(\C=N\NC(CCC(=O)Nc(cc2)ccc2F)=O)c(cccc1Cl)Cl,0.0
71700,CO-ADD:0220594,-4.91,c1(c(Br)cc(cc1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)Br)OC(c3ccccc3)=O,0.0
71701,CO-ADD:0220589,-4.91,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2cc(Br)ccc2OC(=O)c3ccc(cc3)Br,0.0
71702,CO-ADD:0220141,-4.91,c1(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c[nH]nc1c3ccccc3,0.0
71703,CO-ADD:0229842,-4.91,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CNCc4ccccc4,0.0
71704,CO-ADD:0229315,-4.91,c1(c(F)ccc(c1)S(CCCN(CC2)CCO2)(=O)=O)[N+](=O)[O-],0.0
71705,CO-ADD:0229146,-4.91,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(=O)N\N=C\c3ccccc3O,0.0
71706,CO-ADD:0229524,-4.91,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cccc3[N+](=O)[O-])c3,0.0
71707,CO-ADD:0229500,-4.91,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3C,0.0
71708,CO-ADD:0229645,-4.91,N1(CCCC1=O)C(O)C(Cl)(Cl)Cl,0.0
71709,CO-ADD:0235002,-4.91,c12c(cccc1NC(=O)C3(CCCCC3)C)C(=O)c(c4C2=O)cccc4,0.0
71710,CO-ADD:0232966,-4.92,C(=N/Nc(nnc(c12)c3c(cccc3)[nH]1)n2)(/c4c(N5)cccc4)\C5=O,0.0
71711,CO-ADD:0236729,-4.92,c1(nnc2\N=C\c(cc3)ccc3F)n2ncn1\N=C\c(cc4)ccc4F,0.0
71712,CO-ADD:0233514,-4.92,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccccc2C)=O)N(CC(C)C)CC(C)C)c1,0.0
71713,CO-ADD:0233727,-4.92,c1([nH]nc(C(CC2)CCN2C(=O)CC[C@H](N)C(O)=O)c1)C(F)(F)F.Cl,0.0
71714,CO-ADD:0234921,-4.92,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3[N+](=O)[O-])nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
71715,CO-ADD:0229794,-4.92,N1(CCC2=CCCCC2)C(=O)C(C3(C)C1=O)C(c4ccccc4)C=CC3c5ccccc5,0.0
71716,CO-ADD:0229788,-4.92,C(=O)(Nc(cc1)ccc1F)C(=O)NCC(O)c2ccccc2,0.0
71717,CO-ADD:0229026,-4.92,N1(c2ccccn2)C(=O)c3c(cccc3)C1=O,0.0
71718,CO-ADD:0227376,-4.92,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O)Br,0.0
71719,CO-ADD:0227060,-4.92,C(=O)(N\N=C\c(cc1)ccc1C(C)C)C(=O)Nc(cccc2C(F)(F)F)c2,0.0
71720,CO-ADD:0229623,-4.92,c1(C(=O)c2ccc(cc2)C)c(N)c(c3s1)ccc(C)n3,0.0
71721,CO-ADD:0227621,-4.92,n1c2c(oc1c3ccc(cc3)C)ccc(c2)\N=C\c4cccc(F)c4O,0.0
71722,CO-ADD:0227298,-4.92,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(cc3)ccc3Br,0.0
71723,CO-ADD:0227778,-4.92,N1(CN(CC2)CCO2)c(cccc3)c3\C(=N\c(cc4)ccc4[N+](=O)[O-])\C1=O,0.0
71724,CO-ADD:0221782,-4.92,C(=O)(NC(c1ccccc1)c2ccccc2)Nc3c(Cl)cc(c(F)c3)F,0.0
71725,CO-ADD:0219048,-4.92,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3ccccc3O)c1,0.0
71726,CO-ADD:0222297,-4.92,n1c2c(oc1c3cccc(Br)c3)ccc(c2)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
71727,CO-ADD:0219788,-4.92,[N+]([O-])(c1ccc(cc1)OCCCCCCCCC)=Nc(cc2)ccc2OCCCCCCCCC,0.0
71728,CO-ADD:0221263,-4.92,C(=O)(Nc1ccccc1)C(NCCN(CC2)CCN2Cc(cc3)ccc3C)=O,0.0
71729,CO-ADD:0221975,-4.92,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/CC)\Nc(c(C)ccc2[N+](=O)[O-])c2)[N+](=O)[O-],0.0
71730,CO-ADD:0220731,-4.92,C(=N\NC(=O)c1cc(Br)ccc1O)(/c2c(N3C)cccc2)\C3=O,0.0
71731,CO-ADD:0220716,-4.92,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/C)\c3ccc(cc3)CC,0.0
71732,CO-ADD:0222128,-4.92,C(=O)(c1ccc(cc1)N)Nc(cc2)ccc2Oc3ccccc3,0.0
71733,CO-ADD:0222145,-4.92,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(CNc(ccc(c34)cccc3)c4)=O)Br,0.0
71734,CO-ADD:0222535,-4.93,[N+](=O)([O-])c1cc2c(cc1\C=N\c(ccc(c3Cl)OC)c3)OCO2,0.0
71735,CO-ADD:0218729,-4.93,C(=O)(N\N=C\c1ccccc1O)C(=O)Nc2ccccc2C,0.0
71736,CO-ADD:0218769,-4.93,C(=O)(C\C(\C)=N\NC(CC)=O)Nc1ccccc1CC,0.0
71737,CO-ADD:0218777,-4.93,N(=C\c(cc1)ccc1Cl)/NC(CCC(=O)NCc2ccccc2)=O,0.0
71738,CO-ADD:0218411,-4.93,N1(c2ccc(cc2)Br)C(=O)c3c(c4C1=O)c(ccc3)c(cc4)NCCOC(C)=O,0.0
71739,CO-ADD:0218722,-4.93,C(=O)(N\N=C\c1cccc(C)c1)C(=O)Nc2cccc(Cl)c2,0.0
71740,CO-ADD:0227006,-4.93,N(C1=O)(c(ccs2)c2C(N3Cc4cccs4)=O)C3=NN1CC(=O)N5CCC(CC5)C,0.0
71741,CO-ADD:0225279,-4.93,N12C(C=CC(SC(C)(C)C)=N1)=NN(CC(=O)Nc(cc3)ccc3C(OCC)=O)C2=O,0.0
71742,CO-ADD:0225583,-4.93,N12C(C=CC(Sc3cccc(F)c3)=N1)=NN(CC(=O)Nc(cccc4C(F)(F)F)c4)C2=O,0.0
71743,CO-ADD:0225511,-4.93,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5ccccc5Cl)=O,0.0
71744,CO-ADD:0225574,-4.93,N12C(C=CC(Sc(cc3)ccc3C)=N1)=NN(CC(=O)Nc(ccc(c4C)Br)c4)C2=O,0.0
71745,CO-ADD:0234992,-4.93,N(\C(=C/c(cc1)ccc1OC)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
71746,CO-ADD:0232900,-4.93,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)Nc3c(C)cccc3C,0.0
71747,CO-ADD:0234534,-4.93,c1(Nc(cc2)ccc2C)c(CC=C)c(C)nc(SC)n1,0.0
71748,CO-ADD:0233220,-4.93,O=Cc(cc1)ccc1OCCCCCCCCCCOc(cc2)ccc2C=O,0.0
71749,CO-ADD:0233221,-4.93,C1(=O)C(c2ccc(cc2)OCCCCC)CC(=O)N1,0.0
71750,CO-ADD:0231424,-4.93,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(cc4)ccc4Cl,0.0
71751,CO-ADD:0218917,-4.93,C(COc1ccccc1C)(=O)N\N=C\C(c2ccccc2)=O,0.0
71752,CO-ADD:0219612,-4.94,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)C(=O)Nc2ccc(cc2C)Cl,0.0
71753,CO-ADD:0219661,-4.94,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)Nc2ccc(cc2Cl)Cl,0.0
71754,CO-ADD:0220403,-4.94,C(CNc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2F,0.0
71755,CO-ADD:0229395,-4.94,N1(c2ccc(cc2[N+](=O)[O-])C)C(=O)c(c3C1=O)cccc3,0.0
71756,CO-ADD:0229382,-4.94,c1(c(cc2Br)cc(c2N)Br)sc3c(ccc(C)c3)n1,0.0
71757,CO-ADD:0229362,-4.94,n1c(C)c(sc1N\N=C\c2cc(OC)ccc2OC)C,0.0
71758,CO-ADD:0229502,-4.94,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3c(C)cccc3C,0.0
71759,CO-ADD:0229461,-4.94,C(=C/NNc1cccc(C)c1)(/C(=O)NC(N2)=O)\C2=O,0.0
71760,CO-ADD:0231436,-4.94,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3Cl)\N=C\c4cccc(OC)c4O,0.0
71761,CO-ADD:0232852,-4.94,c12c(ccc(OC)c1OC)C(OC2=O)Nc3ccccc3C#N,0.0
71762,CO-ADD:0231437,-4.94,c1(c(Br)cc(cc1\C=N\NC(=O)c(ccc(c23)OCCO2)c3)Br)OC(=O)c4cccc(C)c4,0.0
71763,CO-ADD:0236723,-4.94,c1(c2csc(N)n2)c(no[n+]1[O-])c3csc(N)n3,0.0
71764,CO-ADD:0236717,-4.94,n1(nnc(C(OCC)=O)c1CN2CCCCCC2)c3nonc3N,0.0
71765,CO-ADD:0235977,-4.94,c1(nonc1N)N(CC(=O)Nc2ccccc2)N=Nc3nonc3N,0.0
71766,CO-ADD:0234381,-4.94,P(c1ccccc1)(c2ccccc2)(=O)C(C)(C)C,0.0
71767,CO-ADD:0234200,-4.94,c1(cc(Cl)cc(\C=N\c(ccc(c23)oc(c4cccc(F)c4)n2)c3)c1O)[N+](=O)[O-],0.0
71768,CO-ADD:0234327,-4.94,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccco2)=O)c3ccccc3Cl,0.0
71769,CO-ADD:0234080,-4.94,[N+](=O)([O-])c(cc1)ccc1C(NN)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
71770,CO-ADD:0236384,-4.94,N1(c2ccccc2)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
71771,CO-ADD:0231776,-4.94,N(\C(=C/c(ccc(c12)cccc1)c2)\C(O3)=O)=C3c(ccc(c45)OCO4)c5,0.0
71772,CO-ADD:0229225,-4.94,c1(ccc(\C=N/NC(COc2ccccc2C)=O)o1)Sc3ccccn3,0.0
71773,CO-ADD:0229202,-4.94,N1(CCCC1C(NCC)=O)C(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)OC(C)(C)C,0.0
71774,CO-ADD:0229399,-4.95,N1(NC(=O)CN(C)C(c2ccccc2)=O)C(=O)c3c(cccc3)C1=O,0.0
71775,CO-ADD:0227477,-4.95,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2OC)cc(c2O)Br)=C/c3cccs3,0.0
71776,CO-ADD:0221152,-4.95,N1(C(=O)c2c(C(c3ccc(cc3)CC)=N1)cccc2)c4cc(Cl)ccc4[N+](=O)[O-],0.0
71777,CO-ADD:0222150,-4.95,n1c(ccc(c2)\N=C\c(cccc3[N+](=O)[O-])c3O)c2oc1c(cc4)ccc4C(C)(C)C,0.0
71778,CO-ADD:0220634,-4.95,c1(Br)c(C)oc(\C=N\NC(COc2cccc(Br)c2)=O)c1,0.0
71779,CO-ADD:0225861,-4.95,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)NCc(cc4)ccc4OC)=O,0.0
71780,CO-ADD:0225871,-4.95,C1(=N2)N(C=CN=C1SCc3ccccc3)C(N2CC(=O)Nc4ccccc4OC)=O,0.0
71781,CO-ADD:0222133,-4.95,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(=O)Cc3ccc(c(cccc4)c34)Br,0.0
71782,CO-ADD:0222684,-4.95,N(/c(cc1)ccc1C)=C\c(cc2)ccc2N(CC)CC,0.0
71783,CO-ADD:0220103,-4.95,N1(C(CC)=O)c2c(OC1=O)cccc2,0.0
71784,CO-ADD:0220614,-4.95,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2OC)cc(c2O)OC,0.0
71785,CO-ADD:0220723,-4.95,S(=O)(=O)(c1ccc(cc1)\N=C\c2cc(Br)ccc2O)c3ccc(cc3)\N=C\c(ccc(c45)OCO4)c5,0.0
71786,CO-ADD:0222496,-4.95,c1(c2cccc(Br)c2)oc3c(ccc(c3)\N=C\c4cccc(I)c4O)n1,0.0
71787,CO-ADD:0222251,-4.95,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4cccc(F)c4,0.0
71788,CO-ADD:0220043,-4.95,c1(cccc(cccc2C=O)c12)C(O)=O,0.0
71789,CO-ADD:0219367,-4.95,C(=O)(C\C(\C)=N\NC(CCCC)=O)Nc1c(Cl)ccc(Cl)c1,0.0
71790,CO-ADD:0221158,-4.95,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3C\C=C\c4ccccc4)C1=O,0.0
71791,CO-ADD:0222252,-4.95,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccccc2Br)=O)Br)OC(=O)c3cccc(F)c3,0.0
71792,CO-ADD:0218679,-4.96,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C(/C)\c3ccccc3)c1,0.0
71793,CO-ADD:0218103,-4.96,N(CCNC12CCCCC1)(C(=O)CS3)C23,0.0
71794,CO-ADD:0218544,-4.96,N1(CNc(cc2)ccc2OC)C(=O)\C(\SC1=O)=C\c3ccccc3OC,0.0
71795,CO-ADD:0218620,-4.96,c1(cccc(C)c1O)C(=O)N\N=C(/C)\CC(=O)Nc2ccc(cc2Cl)Cl,0.0
71796,CO-ADD:0225494,-4.96,C1(=N2)N(C=Cn(nc(c3ccc(cc3)OC)c4)c14)C(N2CC(=O)Nc5cc(C)ccc5C)=O,0.0
71797,CO-ADD:0217957,-4.96,[N+](=O)([O-])c1cc(C)ccc1NC(=O)O\N=C(/C)\c2ccccc2,0.0
71798,CO-ADD:0218613,-4.96,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(/C)\c2ccc(c3c2O)cccc3,0.0
71799,CO-ADD:0217958,-4.96,N1(c(cccc2N3C(=O)c(c4C3=O)ccc(c4)C(=O)Nc(ccc(c5C(O)=O)C(O)=O)c5)n2)C(=O)c(c6C1=O)ccc(c6)C(=O)Nc(ccc(c7C(O)=O)C(O)=O)c7,0.0
71800,CO-ADD:0225576,-4.96,N12C(C=CC(Sc(cc3)ccc3C)=N1)=NN(CC(=O)Nc(ccc(c4Cl)F)c4)C2=O,0.0
71801,CO-ADD:0231419,-4.96,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4ccc(cc4O)O,0.0
71802,CO-ADD:0231076,-4.96,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)NCC(NN)=O,0.0
71803,CO-ADD:0231072,-4.96,C(=S)(Oc(cc1)ccc1C(=O)Nc2ccccc2C)N3CCCCC3,0.0
71804,CO-ADD:0234637,-4.96,c1(oc(c2n1)ccc(c2)\N=C\c3c(O)cc(c(Cl)c3C)C)c4c(O)cc(c5c4)cccc5,0.0
71805,CO-ADD:0234842,-4.96,c1(c(Br)cc(cc1\C=N\NC(CNc2cccc(C)c2)=O)Br)OC(c3ccccc3)=O,0.0
71806,CO-ADD:0231487,-4.96,c1(oc(c2n1)ccc(c2)\N=C\c3cc(C)ccc3O)c4ccc(cc4Cl)F,0.0
71807,CO-ADD:0233085,-4.96,N1(c2ccccc2)C(=S)c3c(C(c4ccc(cc4)CC)=N1)cccc3,0.0
71808,CO-ADD:0234866,-4.97,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc2c(C)cccc2C)=O)c3ccccc3Cl,0.0
71809,CO-ADD:0234840,-4.97,c1(c(Br)cc(cc1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)Br)OC(=O)c3cccc(Br)c3,0.0
71810,CO-ADD:0222037,-4.97,N(CC1)(CCO1)CCOC(CCCCCCCCC(OC)=O)=O,0.0
71811,CO-ADD:0219719,-4.97,C(=O)(N\N=C(/C)\CC(NCC)=O)C(=O)Nc1cccc(Cl)c1C,0.0
71812,CO-ADD:0221986,-4.97,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C(/C)\c2ccc(cc2)Br,0.0
71813,CO-ADD:0220768,-4.97,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(CNc2ccccc2C)=O,0.0
71814,CO-ADD:0220626,-4.97,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3cc(OC)ccc3O,0.0
71815,CO-ADD:0219545,-4.97,[N+](=O)([O-])c1ccc(cc1)CC(=O)N\N=C(/C)\C=C\c2ccccc2F,0.0
71816,CO-ADD:0229289,-4.97,N1(CC(OCCCC)=O)C(=O)c(c2C1=O)cccc2,0.0
71817,CO-ADD:0227931,-4.97,[N+](=O)([O-])c(cc1)cc(c1N(C)C2CCCCC2)\C=N\NC(CNc3ccccc3C)=O,0.0
71818,CO-ADD:0229392,-4.97,C(=O)(NCc(ccc(c12)OCO1)c2)C(NCC=C)=O,0.0
71819,CO-ADD:0229376,-4.97,C(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3OC,0.0
71820,CO-ADD:0227484,-4.97,c1(ccc(\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C\c3cccs3)o1)c4ccc(cc4Cl)Cl,0.0
71821,CO-ADD:0229859,-4.97,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC(OCC)=O)=S,0.0
71822,CO-ADD:0233176,-4.97,c(cc(C)cc1C(C)(C)C)(CN(CC2)CCN2Cc(cc(C)cc3C(C)(C)C)c3O)c1O,0.0
71823,CO-ADD:0233395,-4.97,C12(C)c(cccc3)c3C(C(C(OC4=O)=O)C14)(c(cccc5)c25)C,0.0
71824,CO-ADD:0227926,-4.97,c1(oc(c2n1)ccc(CC)c2)c3cc(ccc3O)\N=C/c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4O,0.0
71825,CO-ADD:0231530,-4.97,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(COc3ccc(cc3Br)Cl)=O)Br,0.0
71826,CO-ADD:0234651,-4.98,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(CNC(=O)c2cccc(F)c2)=O,0.0
71827,CO-ADD:0236377,-4.98,N1(CC(=O)OCC(=O)c2ccc(cc2)Br)C(=O)c3c(cccc3)C1=O,0.0
71828,CO-ADD:0236347,-4.98,N1(C=NNC1=S)\N=C/c2ccccc2,0.0
71829,CO-ADD:0234809,-4.98,n1cn[nH]c1SCC(=O)Nc(cc2)ccc2C,0.0
71830,CO-ADD:0235987,-4.98,N1=C(SCC(OCC)=O)S\C(=C\c(cc2)ccc2Cl)\C1=O,0.0
71831,CO-ADD:0229066,-4.98,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c(cc2)ccc2OC)c3ccccc3Cl,0.0
71832,CO-ADD:0227461,-4.98,c(\C=N\NC(CNc1ccccc1OC)=O)(c2c([nH]3)cccc2)c3,0.0
71833,CO-ADD:0226343,-4.98,N1(C2=O)C(C=C(N=C1Nc(ccc(c3C)F)c3)C)=NN2CC(=O)Nc4cccc(C)c4C,0.0
71834,CO-ADD:0221741,-4.98,N1(CNc(cc2)ccc2c3ccccc3)C(=O)\C(\SC1=S)=C\c4cccc(F)c4,0.0
71835,CO-ADD:0219110,-4.98,[N+](=O)([O-])c(ccc(c1\C=N\c2ccc(c(cccn3)c23)Br)O)c1,0.0
71836,CO-ADD:0220189,-4.98,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\c(ccc(c34)oc(c5ccc(cc5)Br)n3)c4)[N+](=O)[O-],0.0
71837,CO-ADD:0222570,-4.98,N1(C(c2ccccc2)c3ccccc3)C(=O)c4c(c5C1=O)c(c(CC6)cc4)c6cc5,0.0
71838,CO-ADD:0221689,-4.98,c1(\C=N\NC(=O)c2ccc(cc2)OCCCCCCCCCC)c(O)ccc(cccc3)c13,0.0
71839,CO-ADD:0220566,-4.98,c1(\C=N\NC(CNc2ccccc2C)=O)c(C)cc(cc1O)O,0.0
71840,CO-ADD:0219270,-4.98,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\c3ccccc3,0.0
71841,CO-ADD:0220104,-4.98,c1(ccccc1Br)C(=O)NCC(=O)N\N=C(\C)/c2ccc(cc2)C,0.0
71842,CO-ADD:0220618,-4.98,c1(\C=N\NC(=O)c2ccc(cc2)O)c(Br)cc(c(O)c1Br)Br,0.0
71843,CO-ADD:0222814,-4.98,C(COc(cc1)ccc1Br)(=O)Nc(cc2)ccc2C(C)C,0.0
71844,CO-ADD:0222300,-4.98,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c3ccc(cc3OC)OC,0.0
71845,CO-ADD:0226076,-4.98,S(=O)(=O)(N(c1ccccc1)Cc2cccc(OC)c2)c3cccn(c(nn4)CC)c34,0.0
71846,CO-ADD:0226083,-4.98,S(=O)(=O)(N(c1cccc(C)c1)CC(=O)OC(C)(C)C)c2cccn(c(nn3)C)c23,0.0
71847,CO-ADD:0226118,-4.99,S(=O)(=O)(N(Cc(cc1)ccc1C=C)c(cc2)ccc2C(C)C)c3cccn(cnn4)c34,0.0
71848,CO-ADD:0218576,-4.99,N(=C(/C)\c1cccc(N)c1)/NC(c2ccccc2)=O,0.0
71849,CO-ADD:0218064,-4.99,C(=O)(NCc(ccc(c12)OCO1)c2)c3cccs3,0.0
71850,CO-ADD:0218075,-4.99,C(=N\NC(=O)c1cccc(O)c1)(/c(cc(C)cc2Br)c2N3C)\C3=O,0.0
71851,CO-ADD:0218083,-4.99,c1(\C(\C)=N\NC(=O)c2ccccc2O)oc(cc1C)C,0.0
71852,CO-ADD:0218556,-4.99,C(OCCCCCCCC)(NCCCCNC(OCCCCCCCC)=O)=O,0.0
71853,CO-ADD:0218295,-4.99,c1(cc(Br)ccc1O)\C=N\c2cccc(OC)c2,0.0
71854,CO-ADD:0225536,-4.99,c12n(c3c(cccc3)nc1SCc4c(C)oc(c5cccc(Cl)c5)n4)c(nn2)C,0.0
71855,CO-ADD:0225702,-4.99,C1(=N2)N(C=CN=C1Oc3ccccc3C)C(N2CC(=O)Nc(ccc(c4F)C)c4)=O,0.0
71856,CO-ADD:0218135,-4.99,C(=O)(Nc(ccc(c12)cccc1)c2)c3occc3C,0.0
71857,CO-ADD:0218007,-4.99,[N+](=O)([O-])c1ccc(c2c1cccn2)N(CC3)CCCN3.Cl,0.0
71858,CO-ADD:0218423,-4.99,c(non1)(nc(Nc(cc2)ccc2C(OCC)=O)c(n3)NC4C(CC(C5)CC6CC45)C6)c13,0.0
71859,CO-ADD:0231528,-4.99,C(/N\N=C\c(ccc(c1O)O)c1O)(\c2ccccn2)=N\c3ccccc3,0.0
71860,CO-ADD:0229481,-4.99,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc3ccccc3[N+](=O)[O-],0.0
71861,CO-ADD:0236666,-4.99,n1c(c(cc2)ccc2[N+](=O)[O-])csc1Nc3ccccc3C,0.0
71862,CO-ADD:0231558,-4.99,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(=O)C3COc(c4O3)cccc4)Br,0.0
71863,CO-ADD:0236791,-4.99,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c(c3C1=O)cc(c(Cl)c3)Cl,0.0
71864,CO-ADD:0231174,-4.99,C(=O)(N\N=C(/C)\CC(=O)Nc1ccc(cc1C)Cl)C(=O)Nc(cc2)ccc2CC,0.0
71865,CO-ADD:0236627,-5.0,C(C#N)(=C(S)NC(=C1C#N)N)C12CCN(CC2)CC,0.0
71866,CO-ADD:0234591,-5.0,N(\C(=C/c(ccc1Br)o1)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
71867,CO-ADD:0236753,-5.0,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c3c(OC)ccc(OC)c3,0.0
71868,CO-ADD:0232916,-5.0,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)Nc(c3)cc(cc3C)C,0.0
71869,CO-ADD:0233104,-5.0,[n+]1(C)cccc(ccc(C)c2)c12.[I-],0.0
71870,CO-ADD:0232872,-5.0,N1(CCCC1=O)CP(O)(CCc2ccccc2)=O,0.0
71871,CO-ADD:0219680,-5.0,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(COc3cccc(Cl)c3)=O,0.0
71872,CO-ADD:0219653,-5.0,C(=O)(NCc(cccn1)c1)C\C(\C)=N/NC(Cc(cc2)ccc2c3ccccc3)=O,0.0
71873,CO-ADD:0218925,-5.0,N(c1ccccc1Br)C(CCC(=O)N\N=C\c(cc2)ccc2Cl)=O,0.0
71874,CO-ADD:0219568,-5.0,N(=C\c1ccccc1F)/NC(CCC(=O)Nc2cccc(Cl)c2)=O,0.0
71875,CO-ADD:0220165,-5.0,c(\C=N\NC(CNc(cc1)ccc1C)=O)(cc(Br)cc2Br)c2O,0.0
71876,CO-ADD:0220718,-5.0,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C(/C)\c(cc3)ccc3C(C)C,0.0
71877,CO-ADD:0229330,-5.0,C(=N/OC(=O)c1ccccc1OC)(/c2c(N3C)cccc2)\C3=O,0.0
71878,CO-ADD:0229326,-5.0,N1(c2cccc(c2)[N+](=O)[O-])CC(CC1=O)C(=O)Nc(ccc(c34)cccc3)c4,0.0
71879,CO-ADD:0229914,-5.0,[N+](=O)([O-])c1ccc(cc1)\C=N\n(cnn2)c2,0.0
71880,CO-ADD:0229486,-5.0,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3[N+](=O)[O-],0.0
71881,CO-ADD:0227786,-5.0,C1(C#N)(C(OCC)=O)C(c2cccc(cccc3)c23)C4C(C(C#N)=C1N)=CCCC4,0.0
71882,CO-ADD:0227752,-5.0,N1(CN(CC2)CCN2Cc3ccccc3)c(cccc4)c4\C(=N\c(ccc(c5C)C)c5)\C1=O,0.0
71883,CO-ADD:0236155,-5.01,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)Nc2nnc(COc(cc3)ccc3Cl)s2)c1,0.0
71884,CO-ADD:0232992,-5.01,c1(ccc(C)o1)C(=O)N\N=C\c2c3c(cccc3)cc(cccc4)c24,0.0
71885,CO-ADD:0234609,-5.01,[N+](=O)([O-])c1ccc(cc1O)\C=N\NC(=O)\C(=C/c(cc2)ccc2N(C)C)\NC(c3ccccc3)=O,0.0
71886,CO-ADD:0236662,-5.01,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cccc2c3csc(C)n3)c2,0.0
71887,CO-ADD:0231177,-5.01,N1(C(=O)C(Cc2ccccc2)NS(=O)(=O)c3ccc(cc3)C)C(N1C(=O)c(cc4)ccc4[N+](=O)[O-])c5ccccc5OCCCCC,0.0
71888,CO-ADD:0231504,-5.01,c1(oc(c2n1)ccc(c2)\N=C\c3ccccc3)c4ccc(cc4Cl)F,0.0
71889,CO-ADD:0229809,-5.01,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)S\C(\N)=N\c(cc3)ccc3Br,0.0
71890,CO-ADD:0229773,-5.01,c12c(ccc(C)c1)nc(c(CC)c2N)CCC,0.0
71891,CO-ADD:0227650,-5.01,N(Cc1ccccc1)(C(=O)C(C23)C(C=C4)OC24CNS(=O)(=O)c(cc5)ccc5[N+](=O)[O-])C3=O,0.0
71892,CO-ADD:0231375,-5.01,c1(N2CCCC2)nc(N\N=C/c3cccc(OC)c3)nc(Nc4ccccc4)n1,0.0
71893,CO-ADD:0233706,-5.01,c1([nH]nc(C(CC2)CCN2C(=O)CC[C@@H](N)C(O)=O)c1)C(F)(F)F.Cl,0.0
71894,CO-ADD:0234978,-5.01,C(=O)(Oc1ccccc1\C=N/NC(COc(ccc(c2C)C)c2)=O)c3ccco3,0.0
71895,CO-ADD:0222364,-5.01,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
71896,CO-ADD:0219294,-5.01,n1c(N2CCCCC2)nc(nc1N3CCCCC3)N\N=C\c(cc4)ccc4Br,0.0
71897,CO-ADD:0222155,-5.01,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(CNc3cccc(cccc4)c34)=O)o2,0.0
71898,CO-ADD:0221076,-5.01,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
71899,CO-ADD:0219471,-5.01,C(=O)(NC1CCCCC1)C\C(\C)=N\NC(Cc(cc2)ccc2c3ccccc3)=O,0.0
71900,CO-ADD:0219277,-5.02,C(NCCSCCCCCCCCCCCCCCCCCC)(NCC=C)=S,0.0
71901,CO-ADD:0222097,-5.02,c1(C(NCCc(cc2)ccc2Cl)=O)cc(c3o1)cccc3,0.0
71902,CO-ADD:0222644,-5.02,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2c(Br)cc(cc2Br)\C=N\c(cc3)ccc3C)c1,0.0
71903,CO-ADD:0219340,-5.02,C(F)(F)(C(F)F)Oc1ccccc1NC(=O)C(=O)N\N=C\c2cccc(OC)c2,0.0
71904,CO-ADD:0221142,-5.02,c1(ccccc1O)C(=O)N\N=C(/CCCCCC)\CCCCCC,0.0
71905,CO-ADD:0221894,-5.02,N1(CNc2ccccc2C)C(=O)\C(\SC1=S)=C\c(cc3)ccc3C(C)C,0.0
71906,CO-ADD:0221886,-5.02,C(=O)(c1cccc(F)c1)NC(C)c2ccccc2,0.0
71907,CO-ADD:0225350,-5.02,c12n(ccn(nc(c3ccc(cc3)OCCCC)c4)c14)c(nn2)SCC(=O)Nc(cc5)ccc5OC,0.0
71908,CO-ADD:0226806,-5.02,c1(C2=O)n(c3c(cccc3)N2CC(=O)Nc4cccc(SC)c4)c(nn1)C(C)C,0.0
71909,CO-ADD:0226878,-5.02,c12n(c3c(cccc3)nc1SCC(=O)Nc4c(C)ccc(F)c4)c(nn2)C,0.0
71910,CO-ADD:0218778,-5.02,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c1Cl)Cl)c1)c2cccc(cccc3)c23,0.0
71911,CO-ADD:0218242,-5.02,C(COc1cccc(Br)c1)(=O)N\N=C\c2ccccc2OC,0.0
71912,CO-ADD:0218394,-5.02,c1(cc(c(cc1[N+](=O)[O-])nc2c3Nc(c4N2)cccc4)n3)[N+](=O)[O-].Cl.Cl,0.0
71913,CO-ADD:0218402,-5.02,n(\N=C\c1ccccc1F)(cnn2)c2,0.0
71914,CO-ADD:0218760,-5.02,c1(\C=N\NC(=O)c2ccc(cc2)OC)cc(ccc1O)Cc(ccc(c3\C=N\NC(=O)c4ccc(cc4)OC)O)c3,0.0
71915,CO-ADD:0225672,-5.02,C1(=N2)N(C=CN=C1Oc(cc3)ccc3C)C(N2CC(=O)NCc(cc4)ccc4SC)=O,0.0
71916,CO-ADD:0226728,-5.03,N1(c(ccs2)c2C(N3CC(C)C)=O)C3=NN(Cc(cc4)ccc4Cl)C1=O,0.0
71917,CO-ADD:0166738,-5.03,C1(Nc(c(Nc(cc2)ccc2C(F)(F)F)n3)nc(c34)non4)=C(C)N(N(c5ccccc5)C1=O)C,0.0
71918,CO-ADD:0165966,-5.03,C(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\c(ccc(c3C)C)c3,0.0
71919,CO-ADD:0166489,-5.03,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)C(=O)Nc2ccccc2OCC,0.0
71920,CO-ADD:0214946,-5.03,C(OCc1ccccc1)(=O)NCC(=O)Nc2cccc(C)c2,0.0
71921,CO-ADD:0214962,-5.03,C(=O)(N1CCC(CC1)C)C(=O)N\N=C\c2ccccc2OC,0.0
71922,CO-ADD:0214970,-5.03,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc2ccc(c3c2\C=N\NC(c4ccccc4)=O)cccc3,0.0
71923,CO-ADD:0220579,-5.03,C(CNc1ccccc1C)(=O)N\N=C(/C)\C=C\c2ccccc2,0.0
71924,CO-ADD:0220711,-5.03,S(=O)(=O)(c1ccc(cc1)\N=C\c2cccc(O)c2)c3ccc(cc3)\N=C\c4cc(Br)ccc4O,0.0
71925,CO-ADD:0218966,-5.03,c1(ccccc1I)C(=O)NCc(cc2)ccc2C(C)C,0.0
71926,CO-ADD:0229532,-5.03,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3OCC,0.0
71927,CO-ADD:0229099,-5.03,C(=O)(Nc(cccc1C(=O)N\N=C\c(ccc(c2O)O)c2)c1)c3ccccc3F,0.0
71928,CO-ADD:0229360,-5.03,S1(=O)(=O)c(cccc2)c2C(SCCOC(c3ccccc3)=O)=N1,0.0
71929,CO-ADD:0229851,-5.03,c(C(=O)c1ccc(cc1)Br)(sc(c23)nc(c(CC(c4ccccc4)=O)c2C)C)c3N,0.0
71930,CO-ADD:0229869,-5.03,C(C#N)([C@@H]1c2ccc(cc2)Cl)=C([S-])N[C@](C)(O)[C@@H]1[n+]3ccccc3C,0.0
71931,CO-ADD:0229371,-5.03,N(c1ccccc1)(C2)C(=O)CC2C(=O)N(Cc3ccccc3)Cc4ccccc4,0.0
71932,CO-ADD:0233430,-5.03,C1(c2c(Cl)ccc(c2)[N+](=O)[O-])=N\C(\C(=O)O1)=C/c(ccc(c3Br)OC)c3,0.0
71933,CO-ADD:0234462,-5.03,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)c(Cl)cc3[N+](=O)[O-],0.0
71934,CO-ADD:0234971,-5.03,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc2c(C)cc(cc2C)Br)=O,0.0
71935,CO-ADD:0235980,-5.03,[N+](=O)([O-])c1cc2c(cc1\C=N\c(cc3)ccc3N(C)C(C)=O)OCO2,0.0
71936,CO-ADD:0234450,-5.03,C1(=CC(c(ccc(OC)c2)c2O1)=O)C(F)(F)C(F)F,0.0
71937,CO-ADD:0222539,-5.03,c1(cc(Br)cc(\C=N\c(ccc(c2Cl)OC)c2)c1O)[N+](=O)[O-],0.0
71938,CO-ADD:0220029,-5.04,n1(C)c(ccc(c2)[N+](=O)[O-])c2c3c1ccc(c3)[N+](=O)[O-],0.0
71939,CO-ADD:0221312,-5.04,c1(c(OC)ccc(\C(\CCC2)=N/OC(c3ccccc3)=O)c12)[N+](=O)[O-],0.0
71940,CO-ADD:0218978,-5.04,c1(OCC(=O)Nc(cc2)ccc2OCC)c(C)cc(cc1C)C,0.0
71941,CO-ADD:0219036,-5.04,c1(OC(N)=C(C2c3c(C)cc(c(C(Cl)Cl)c3C)C)C#N)c2c(n[nH]1)C,0.0
71942,CO-ADD:0219256,-5.04,S1(=O)c2c(cccc2)Oc(cccc3)c13,0.0
71943,CO-ADD:0219409,-5.04,N(=C\c(ccc(c1Br)O)c1)/NC(Cc2ccccc2)=O,0.0
71944,CO-ADD:0221931,-5.04,N1(c2ccccc2C)C(=O)\C(\C(C)=N1)=C\Nc(cccc3[N+](=O)[O-])c3,0.0
71945,CO-ADD:0220781,-5.04,C(CNc1cccc(C)c1)(=O)N\N=C\c(ccc(c2Br)O)c2,0.0
71946,CO-ADD:0222042,-5.04,c1(ccccc1C(OCC#C)=O)C(O)=O,0.0
71947,CO-ADD:0157897,-5.04,[O-][N+](C(C=C1)=CC=C1C2=CC=C(/C=N/C3=CC=C(C=C3)C(O4)=NC5=C4C=C(C)C=C5)O2)=O,0.0
71948,CO-ADD:0157182,-5.04,[O-][N+](C1=CC(C(OC/2=O)=NC2=C/C(C=CC=C3)=C3C)=CC([N+]([O-])=O)=C1)=O,0.0
71949,CO-ADD:0157618,-5.04,OC(N(N=C1C)C2=CC=CC=C2)=C1C(C3=C(OCC)C=C(OCC)C=C3)C4=C(O)N(N=C4C)C5=CC=CC=C5,0.0
71950,CO-ADD:0163261,-5.04,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c2ccc(cc2)NC(CCCCC)=O,0.0
71951,CO-ADD:0163597,-5.04,N(/c1cccc(C)c1)=C\c(cc2)ccc2OCc3ccccc3Cl,0.0
71952,CO-ADD:0163613,-5.04,N(=C(/C)\c(cc1)ccc1c2ccccc2)/NC(COc3c(C)cccc3C)=O,0.0
71953,CO-ADD:0160392,-5.05,O=C(COC1=CC=C(C=C1C)C(C)(C)C)N/N=C/C2=CC=C(C=C2)C(OC)=O,0.0
71954,CO-ADD:0157385,-5.05,O=C(C(C)C)N/N=C/C(C=CC=C1)=C1OCC=C,0.0
71955,CO-ADD:0158335,-5.05,O=C(/C1=C\C2=CC(OC)=C(C(Cl)=C2)O)N(N=C1C)C3=CC=C(Cl)C=C3,0.0
71956,CO-ADD:0158407,-5.05,O=C(C(C=C1)=CC=C1NC(CCCCCC)=O)N(C2=CC=CC=C2)C3=CC=CC=C3,0.0
71957,CO-ADD:0157658,-5.05,N#CC1=C(SCC(NC2=CC(NC(C)=O)=CC=C2)=O)N=C(C3=CC=CS3)C=C1C4=CC=C(F)C=C4,0.0
71958,CO-ADD:0157722,-5.05,O=C(N/N=C/C1=CC=C(C=C1)OCC2=CC=C(Cl)C=C2)C(NCC=C)=O,0.0
71959,CO-ADD:0156966,-5.05,N#CC1=C(C2=CSC=C2)C(CN(C)CC3)=C3NC1=S,0.0
71960,CO-ADD:0155327,-5.05,O=C(C1=CC=C(C)C=C1)N/N=C2C(C=CC=C3)=C3CCCC/2,0.0
71961,CO-ADD:0155343,-5.05,O=C(C(NCCO)=O)NC1=C(C)C=CC=C1C,0.0
71962,CO-ADD:0155351,-5.05,O=C(CNC1=CC(C)=CC=C1)N/N=C(C)/C2=C(O)C=CC(O)=C2,0.0
71963,CO-ADD:0155664,-5.05,O=C(NCC(N/N=C/C1=CC=C(C2=CC=C(Br)C=C2)O1)=O)C3=CC(OC)=C(C(OC)=C3)OC,0.0
71964,CO-ADD:0155672,-5.05,N#CC1=C(SCC(NC2=CC=C(C=C2)[N+]([O-])=O)=O)N=C(C)C=C1C(F)(F)F,0.0
71965,CO-ADD:0165875,-5.05,C(=O)(c1cccc(c1)OC(=S)Nc(ccc(c23)cccc2)c3)Nc4ccccc4Cl,0.0
71966,CO-ADD:0165892,-5.05,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc(ccc(c2C)C)c2,0.0
71967,CO-ADD:0165901,-5.05,C(N(CC)CC)(=S)Oc(cccc1C(=O)Nc(cc2)ccc2Br)c1,0.0
71968,CO-ADD:0164757,-5.05,CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N,0.0
71969,CO-ADD:0164366,-5.05,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc(=O)[nH]c1=O,0.0
71970,CO-ADD:0217154,-5.05,c1(C#N)c(c2cccs2)c(CCC(C3)C(C)(C)C)c3nc1SCC(OC)=O,0.0
71971,CO-ADD:0217016,-5.05,c1(C(F)(F)F)nc(sc1c2ccc(cc2)Cl)\N=C\c3ccc(cc3OC)OC,0.0
71972,CO-ADD:0217336,-5.05,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(cc2)ccc2N(CC3)CCO3,0.0
71973,CO-ADD:0217105,-5.05,C(C(OCC)=O)(=C(CSc1c(ccc(c2cccs2)n1)C#N)OC(=C3C#N)N)C3c4cccc(F)c4,0.0
71974,CO-ADD:0216953,-5.05,C(=O)(N\N=C\c1ccco1)C(NCCC)=O,0.0
71975,CO-ADD:0217077,-5.05,c1(ccccc1Cl)C(=O)N\N=C\c2cccc(Cl)c2Cl,0.0
71976,CO-ADD:0157898,-5.05,[O-][N+](C1=CC(C)=CC(/C=N/C2=CC=C(C)C=C2)=C1O)=O,0.0
71977,CO-ADD:0157753,-5.05,[O-][N+](C(C=C1/C=N/NC(CNC2=CC=CC=C2)=O)=C(C=C1)N3CCOCC3)=O,0.0
71978,CO-ADD:0157777,-5.05,[O-][N+](C1=CC=C(/C=N/NC(CNC(C(C=CC=C2)=C2Br)=O)=O)S1)=O,0.0
71979,CO-ADD:0157798,-5.05,[O-][N+](C1=C(O)C(/C=N/C2=CC(C3=NC(C=C4C)=C(C=C4)O3)=C(Cl)C=C2)=CC(C)=C1)=O,0.0
71980,CO-ADD:0157533,-5.06,[O-][N+](C1=CC(/C=N/C2=C(C(C=C3)=CC=C3N(C)C)N=C4N2C=CC=C4)=CC=C1Br)=O,0.0
71981,CO-ADD:0157781,-5.06,IC1=C(O)C(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=CC(C)=C4)=CC(Br)=C1,0.0
71982,CO-ADD:0163629,-5.06,c1(\C=N\NC(COc2c(C)cccc2C)=O)cc(Br)ccc1OC,0.0
71983,CO-ADD:0157370,-5.06,O=C1C(C(NCCCCCCNC(CCCCCCC)=O)=O)=CC2=CC=CC=C2O1,0.0
71984,CO-ADD:0157378,-5.06,S=C1NC(CCC)C(C(OCC)=O)=C(C)N1,0.0
71985,CO-ADD:0156938,-5.06,O=P1(OCC(C)(C)CO1)C(NC2=CC=C(OC)C=C2)C3=CC(Cl)=CC(Cl)=C3OC,0.0
71986,CO-ADD:0157434,-5.06,O=C(NC(C=C1)=CC=C1Br)CSC2=NC(C3=CC=CC=C3)=CN2,0.0
71987,CO-ADD:0157442,-5.06,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC=C(C(C=C4)=CC=C4Cl)O3)=C(C)N1C,0.0
71988,CO-ADD:0155328,-5.06,O=C(C(C=C1)=CC=C1O)C(C=C2)=CC=C2O,0.0
71989,CO-ADD:0158699,-5.06,[O-][N+](C1=CC=C(C(OC2=C(Br)C=C(/C=N/NC(C3=CC=CC=C3)=O)C=C2Br)=O)O1)=O,0.0
71990,CO-ADD:0158027,-5.06,O=C(NC1=CC=CC=C1)C(NCCN2CCNCC2)=O,0.0
71991,CO-ADD:0155226,-5.06,O=C1C(C(C2=CC(OC)=C(OC)C(OC)=C2)C(C(OCC)=O)=C(N)O3)=C3CC(C)(C)C1,0.0
71992,CO-ADD:0155731,-5.06,ClC1=CC(C2=CSC(NC3=CC(Br)=CC=C3)=N2)=CC=C1Cl,0.0
71993,CO-ADD:0155315,-5.06,S=C(OC1=CC(C(NC2=CC=C(C(C)=C2)C)=O)=CC=C1)NC3=CC=C4C=CC=CC4=C3,0.0
71994,CO-ADD:0164919,-5.06,Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C,0.0
71995,CO-ADD:0164422,-5.06,CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,0.0
71996,CO-ADD:0164884,-5.06,Nc1nc(N)nc(n1)-c1cc(Cl)ccc1Cl.OC(=O)/C=C\C(=O)O,0.0
71997,CO-ADD:0154582,-5.06,O=C(C(C#N)=C1C2=CC=CC=C2)OC3=C1C(C=CC=C4)=C4C=C3,0.0
71998,CO-ADD:0216915,-5.06,C(CSCc1ccccc1C)(=O)N\N=C\c2cccc(OC)c2OC,0.0
71999,CO-ADD:0217118,-5.06,c1(C#N)c(c2cccs2)c3c(nc1SCc(cc4)ccc4C(C)(C)C)CCCC3,0.0
72000,CO-ADD:0217142,-5.07,C1(C#N)(C#N)C(c2ccccc2)C3C(C(C#N)=C1N)=CCC(C(C)(C)C)C3,0.0
72001,CO-ADD:0216939,-5.07,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(cccc3)c23)\C=N\c(cc4)ccc4C,0.0
72002,CO-ADD:0217323,-5.07,C(=C/c(cc1)ccc1Br)(/C(=O)NN2c3ccc(cc3)C)\C2=O,0.0
72003,CO-ADD:0216932,-5.07,C(C(C)SCc1ccccc1)(=O)N\N=C\c(cc2)ccc2Br,0.0
72004,CO-ADD:0157561,-5.07,OC1=C(C(C=O)=C(C2=CC=CC=C2)N3)C3=CC([N+]([O-])=O)=C1,0.0
72005,CO-ADD:0157569,-5.07,O=C(O)[C@H]1NC(C(C=C2)=CC=C2F)SC1,0.0
72006,CO-ADD:0157537,-5.07,O=C1C(C(C2=CC=C(C)C=C2)C(C=C3)=CC=C3C)(Br)C(C4=CC=CC=C14)=O,0.0
72007,CO-ADD:0157491,-5.07,O=C(CC1=CC=CC=C1)N/N=C/C2=CC=C(O)C=C2OC,0.0
72008,CO-ADD:0157312,-5.07,ClC1=CC(Cl)=CC=C1C(N2CC3=CC=CC=C3)N(CC2)CC4=CC=CC=C4,0.0
72009,CO-ADD:0157735,-5.07,[O-][N+](C(C=C1)=CC=C1C(NC2=CC(OC3=C(F)C(F)=C(OC4=CC=CC(NC(C5=CC=C(C=C5)[N+]([O-])=O)=O)=C4)C(F)=C3F)=CC=C2)=O)=O,0.0
72010,CO-ADD:0158048,-5.07,O=C(N/N=C/C1=CC=C(C=C1)OC(C2=CC=C(Br)C=C2)=O)C(C3=CC=CC=C3)(O)C4=CC=CC=C4,0.0
72011,CO-ADD:0158107,-5.07,O=C(N/N=C/C1=CC(Br)=C(OC)C=C1)C(O)C2=CC=CC=C2,0.0
72012,CO-ADD:0157419,-5.07,COC1=CC=CC(/C=N/NC2=NC(NC3=C4C=CC=C3)=C4N=N2)=C1,0.0
72013,CO-ADD:0156963,-5.07,N#CC1=C(SC(C)C(OCC)=O)N=C(CC)C(C)=C1,0.0
72014,CO-ADD:0155661,-5.07,O=C(COC1=CC=C(C)C=C1)N/N=C/C2=CC(Br)=C(Br)O2,0.0
72015,CO-ADD:0155668,-5.07,[O-][N+](C1=CC=CC(/C(C)=N/NC([C@H]2[C@@H](C3=CC=CC=C3)[C@@H](C(N/N=C(C)/C4=CC([N+]([O-])=O)=CC=C4)=O)[C@@H]2C5=CC=CC=C5)=O)=C1)=O,0.0
72016,CO-ADD:0155212,-5.07,N#CC1=C(N)OC2=C(C=C(/C=N/C3=CC(F)=CC=C3)C(O)=C2)C1C4=CC=CC=C4,0.0
72017,CO-ADD:0157648,-5.07,N#CC(C(SCC(C(C=C1)=CC=C1C)=O)=N2)=C(C(C=C3)=CC=C3OC)C=C2C4=CC=CC=C4,0.0
72018,CO-ADD:0159726,-5.08,O=C(COC1=CC=CC=C1)N/N=C/C2=CN(C3=CC=CC=C3)N=C2C4=CC=C(C)C=C4,0.0
72019,CO-ADD:0160038,-5.08,[O-][N+](C(N=C1C)=C(S)N1CC2=CC=C(C([N+]([O-])=O)=C2)OC)=O,0.0
72020,CO-ADD:0160054,-5.08,O=C(O1)N(CNCCCC)C2=C1C=CC(Cl)=C2,0.0
72021,CO-ADD:0154573,-5.08,N#CC(C#N)=C(CC#N)C1=CC=CC=C1,0.0
72022,CO-ADD:0217101,-5.08,c1(c(C)ccc(Cl)c1)\N=C\C=C(/O)\c2ccc(cc2)C,0.0
72023,CO-ADD:0158152,-5.08,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1CC(N/N=C(C)\C2=CC=C(C=C2)C(C)(C)C)=O)=O,0.0
72024,CO-ADD:0216887,-5.08,C(C(C)SCc1ccccc1)(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
72025,CO-ADD:0217655,-5.08,N(c1c2cccc1)C(=O)CS2,0.0
72026,CO-ADD:0217135,-5.08,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)SC,0.0
72027,CO-ADD:0217175,-5.08,n(c(N(C)C)nc(n1)N(C)C)c1N(C)C,0.0
72028,CO-ADD:0217340,-5.08,n1c2c(oc1c3ccc(cc3)OC)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
72029,CO-ADD:0217496,-5.08,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N/c(cc3)ccc3Br)o2)Cl)c1,0.0
72030,CO-ADD:0217560,-5.08,c1(ccc(\C=N\NC(CNC(=O)c2ccco2)=O)o1)c3ccc(cc3Cl)Cl,0.0
72031,CO-ADD:0164008,-5.08,O=C(N(CC1CC2=CC=CC=C2)OC1=O)OCC3=CC=CC=C3,0.0
72032,CO-ADD:0155181,-5.08,S=C(OC1=CC=C(C=C1)C(NC2=CC(C)=CC=C2)=O)N(C(C)C)C(C)C,0.0
72033,CO-ADD:0157653,-5.08,N#CC1=C(N=C(C2=CC=CS2)C=C1C(C=C3)=CC=C3F)SCC(NC4=NN=C(CC)S4)=O,0.0
72034,CO-ADD:0157373,-5.08,N#CC1=C(N)OC(C=C2O)=C(C=C2/C=N/C3=CC=CC(OC)=C3)C1C(C=CC=C4)=C4OC,0.0
72035,CO-ADD:0156957,-5.08,N#CC1=C(SC(C)C(OCC)=O)N=C(C)C=C1C,0.0
72036,CO-ADD:0158046,-5.08,[O-][N+](C1=CC([N+]([O-])=O)=CC(C(OC2=CC=CC(/C=N/C(C=C3)=CC=C3OC)=C2)=O)=C1)=O,0.0
72037,CO-ADD:0157361,-5.09,[O-][N+](C1=CC=C(/C=N/NC(C2=CC=C(OCCC)C=C2)=O)S1)=O,0.0
72038,CO-ADD:0164896,-5.09,COc1ccc(CCN)cc1OC,0.0
72039,CO-ADD:0164393,-5.09,CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O,0.0
72040,CO-ADD:0164849,-5.09,CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)CC(C)=C[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC,0.0
72041,CO-ADD:0164511,-5.09,CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](Cc1ccccc1)C(O)=O,0.0
72042,CO-ADD:0158011,-5.09,O=C(N)N1C2C3=C(CCC2)C4=C(C=CC(C)=C4)N3CC1,0.0
72043,CO-ADD:0158259,-5.09,[O-][N+](C1=CC=C(C(/C=N/NC(C(C=C2)=CC=C2F)=O)=C1)N3CCCCCC3)=O,0.0
72044,CO-ADD:0158156,-5.09,O=C(S/1)N(CNC(C=C2)=CC=C2C)C(C1=C([H])\C3=C(OC)C=C(OC)C=C3)=O,0.0
72045,CO-ADD:0154544,-5.09,O=C(/C(C#N)=C/C1=CC=C(C=C1)[N+]([O-])=O)C2=CC=CC=C2,0.0
72046,CO-ADD:0217423,-5.09,c1(SCc(cc2)ccc2F)nnnn1C,0.0
72047,CO-ADD:0217455,-5.09,S(=O)(=O)(Nc(cc1)ccc1I)c2c(C)ccc(C(=O)c3ccc(cc3)Br)c2,0.0
72048,CO-ADD:0157328,-5.09,O=C(COC1=CC(C)=CC=C1C(C)C)N/N=C/C2=CC(Br)=C(O)C(Br)=C2,0.0
72049,CO-ADD:0157843,-5.09,OC1=CC=C(C=C1)/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCCC4)=N2,0.0
72050,CO-ADD:0157851,-5.09,[O-][N+](C(C=C1)=CC=C1/C(C)=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCCC4)=N2)=O,0.0
72051,CO-ADD:0157867,-5.09,[O-][N+](C1=C(O)C(/C=N/C2=CC3=C(C=C2)OC(C(C=C4)=CC=C4C(C)(C)C)=N3)=CC(Cl)=C1)=O,0.0
72052,CO-ADD:0164786,-5.09,Cc1cccc(Nc2ccccc2C(O)=O)c1C,0.0
72053,CO-ADD:0166650,-5.09,C1(C2c3ccc(cc3)SC)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
72054,CO-ADD:0166530,-5.09,C(=O)(N\N=C\c(cc1)ccc1C#N)c(cccn2)c2,0.0
72056,CO-ADD:0166447,-5.1,N1(CNc2cccc(Br)c2)C(=O)\C(\SC1=O)=C\c(cc3)ccc3C(OC)=O,0.0
72057,CO-ADD:0166759,-5.1,N1(Cc2ccccc2)C(=O)CC(SC(=N)N\N=C(/C)\c3ccccc3)C1=O,0.0
72058,CO-ADD:0166707,-5.1,C1(C#N)(C#N)C(c(cc2)ccc2C(C)C)C(C3)C(C(C#N)=C1N)=CCN3C(C)C.[Na+],0.0
72059,CO-ADD:0166045,-5.1,C(CSCc1ccccc1Cl)(=O)N\N=C\c2ccccc2,0.0
72060,CO-ADD:0164779,-5.1,Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl.[Na+],0.0
72061,CO-ADD:0215349,-5.1,C(C(OCCOC)=O)(C1c2ccccc2[N+](=O)[O-])=C(N)OC(CC(C)(C)CC3=O)=C13.[Na+],0.0
72062,CO-ADD:0154547,-5.1,ClC1=CC=CC=C1/C=C(C#N)/C(C2=CC=CC=C2)=O,0.0
72063,CO-ADD:0154548,-5.1,BrC1=C(Br)NC(Br)=N1,0.0
72064,CO-ADD:0154590,-5.1,ClC(C(C=O)=C1)=NC(C1=C2)=CC=C2OC,0.0
72065,CO-ADD:0157883,-5.1,O=C(COC(C=C1)=CC=C1Cl)N/N=C/C(C=C2)=C(OC(C)=O)C=C2OC(C)=O,0.0
72066,CO-ADD:0157819,-5.1,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C2=CC=CC=C2O,0.0
72068,CO-ADD:0157895,-5.1,[O-][N+](C1=CC(C)=CC(/C=N/C2=CC=C(OC)C=C2)=C1O)=O,0.0
72069,CO-ADD:0157823,-5.1,[O-][N+](C1=C(O)C(/C=N/C(C=C2)=CC=C2NC3=CC=CC=C3)=CC(C)=C1)=O,0.0
72070,CO-ADD:0157089,-5.1,N#CC1=C(/C=C/C2=CC=CC=C2)C(CN3C)=C(CC3)NC1=S,0.0
72071,CO-ADD:0164480,-5.1,CC(=O)OCC[N+](C)(C)C.[Cl-],0.0
72072,CO-ADD:0166057,-5.1,[N+](=O)([O-])c1cccc(\C=N\NC(=O)Cc2cccc(cccc3)c23)c1O,0.0
72073,CO-ADD:0166463,-5.1,N(c1c(C)cc(cc1C)Br)C(=O)c(cc2OC)cc(c2OC)OC,0.0
72074,CO-ADD:0166498,-5.1,c1(c(C)cc(cc1C)Br)NC(NCCCCCCNC(=O)Nc2c(C)cc(cc2C)Br)=O,0.0
72075,CO-ADD:0166553,-5.11,c1(ccc(\C=N\NC(=O)c2ccc(cc2)OCCCCCCCCCC)o1)N3CCCCCC3,0.0
72076,CO-ADD:0166349,-5.11,C(=O)(N\N=C\c1ccco1)C(=O)Nc2c(C)cccc2C,0.0
72077,CO-ADD:0166357,-5.11,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)Nc2c(C)cccc2C,0.0
72078,CO-ADD:0215166,-5.11,S(CCCCCCCCCC)(=O)(=O)N\N=C\c(ccc(c1OC)OC)c1,0.0
72079,CO-ADD:0215319,-5.11,c(C#N)(c1c2cccs2)c(SCC(=O)C(C)(C)C)nc(N)c1C#N,0.0
72080,CO-ADD:0215095,-5.11,C(=C\Nc1ccc(cc1Cl)Cl)(/C2=O)\C(=O)NC(=S)N2,0.0
72082,CO-ADD:0217573,-5.11,c1(csc(\C=N\NC(=O)C(C)Oc(cc2)ccc2Br)c1)[N+](=O)[O-],0.0
72083,CO-ADD:0158252,-5.11,[O-][N+](C1=CC=CC(C2=CC=C(/C=N/NC(COC(C=CC=C3)=C3C)=O)O2)=C1)=O,0.0
72084,CO-ADD:0157957,-5.11,O=C(OCC)C(C1=C2C=CC(O)=C1CN(C)C)=C(CSC3=CC=CC=C3)N2C,0.0
72085,CO-ADD:0158150,-5.11,O=C(CSCC1=CC=C(C=C1)Cl)N/N=C/C(C(Cl)=C2)=CC=C2Cl,0.0
72086,CO-ADD:0157097,-5.11,O=C(CSCC1=CC=C(C=C1)Cl)N/N=C/C2=CC=C(SCC(NC3=CC=CC=C3)=O)O2,0.0
72087,CO-ADD:0157860,-5.11,O=C1/C(N=C(C(C=C2)=CC=C2C)O1)=C/C3=CC=C(C(Br)=C3)OC,0.0
72088,CO-ADD:0157177,-5.11,O=C(O1)C(Br)=C(Br)C1CC(C2=CC=CC=C2)=O,0.0
72089,CO-ADD:0157201,-5.11,ClC1=CC=CC(C2=NC3=CC=C(C4)C(C5=C4C=CC=C5)=C3C(/C=C/C6=CC=CC=C6)=C2)=C1,0.0
72090,CO-ADD:0157241,-5.11,O=C1/C(N=C(C2=CC=C(F)C=C2)O1)=C/C3=CC=CC(C)=C3,0.0
72091,CO-ADD:0157796,-5.11,[O-][N+](C1=C(O)C(/C=N/C2=CC3=C(C=C2)OC(C(C=C4)=CC=C4OC)=N3)=CC(C)=C1)=O,0.0
72092,CO-ADD:0163995,-5.11,O=C(N1OC(O)C2C1CCCC2)OCC3=CC=CC=C3,0.0
72093,CO-ADD:0215299,-5.11,c(C(=O)c1ccc(cc1)Br)(c2N)sc3c2cc(c(C)n3)C(C)=O,0.0
72094,CO-ADD:0215803,-5.11,C(=O)(N\N=C(/C)\CC(=O)NC(C)C)C(NCCO)=O,0.0
72095,CO-ADD:0215767,-5.12,N1(c2cccc(C)c2)C(=O)CC(N(CC3)CCN3c4ccc(cc4)Cl)C1=O,0.0
72096,CO-ADD:0215151,-5.12,C1(C#N)(C#N)[C@H](c(cc2OC)cc(c2OC)OC)[C@H](N3[C@]1([H])C=Cc(c34)cc(cc4)Cl)C(c5ccccc5)=O,0.0
72097,CO-ADD:0156645,-5.12,O=C(C(NC(C1=CC=C(C=C1)[N+]#[C-])=O)CC2=CC=C(C=C2)F)NCCC,0.0
72098,CO-ADD:0217519,-5.12,c1(c2ccccc2C)oc(c3n1)ccc(c3)\N=C\c(cc(Cl)cc4[N+](=O)[O-])c4O,0.0
72099,CO-ADD:0217575,-5.12,C(=O)(N\N=C\c(cc(OC)c(c1)OC)c1OC)C(C)Oc2cccc(cccc3)c23,0.0
72100,CO-ADD:0217597,-5.12,C(=O)(N\N=C\c1ccc(C)o1)C(C)Oc2ccccc2Br,0.0
72101,CO-ADD:0216901,-5.12,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(CSCc3ccccc3C)=O,0.0
72102,CO-ADD:0217669,-5.12,n1c(c2ccc(cc2)C)c(cn1c3ccccc3)\C=N\NC(=O)C(C)Oc(ccc(c45)cccc4)c5,0.0
72103,CO-ADD:0157557,-5.12,CC1=C(C2=CC=CC=C2)NC3=CC(Br)=CC(O)=C31,0.0
72104,CO-ADD:0157082,-5.12,N#CC1=C(N)SC(N)=C(C#N)C1C(C=C2Br)=CC=C2F,0.0
72105,CO-ADD:0163062,-5.12,c1(nonc1N)\C(\N(CC)CC)=N\OC(=O)c2ccc(cc2)C,0.0
72106,CO-ADD:0163094,-5.12,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OC)cc(c5OC)OC,0.0
72107,CO-ADD:0166573,-5.12,C(=C\c1ccccc1)(/NC(C)=O)\C(NCCCCCCCCC)=O,0.0
72108,CO-ADD:0165844,-5.12,C(C)(=C(C(=O)C)C1C(C(C(C)(C)C23)C2)=CC3)NC(=O)N1,0.0
72109,CO-ADD:0165893,-5.12,C(=N/Nc1ccccc1[N+](=O)[O-])(/C(=O)NC(N2)=O)\C2=O,0.0
72110,CO-ADD:0166627,-5.12,C(COc(cc1)ccc1CCC)(=O)N\N=C\c(cccc2Oc3ccccc3)c2,0.0
72111,CO-ADD:0217905,-5.12,C(=O)(c1ccc(cc1)Br)OC\C(\c2ccccc2)=N/O,0.0
72112,CO-ADD:0218137,-5.12,C(F)(F)(F)c(cc(cc1C(F)(F)F)NC(=O)Nc2ccc(c(OC)c2)OC)c1,0.0
72113,CO-ADD:0157315,-5.12,O=C(N/N=C/C1=CC=C(OCCCC)C=C1)C(CC)OC2=C(Br)C(C=CC=C3)=C3C=C2,0.0
72114,CO-ADD:0157147,-5.12,O=C(NC1=CC=C(OC)C=C1)C2C3CC/C=C\CCC23,0.0
72115,CO-ADD:0157155,-5.12,N#CCC(N/N=C/C1=CC(OC)=C(OCC2=CC=CC=C2)C=C1)=O,0.0
72116,CO-ADD:0157171,-5.12,O=C(COC1=CC=CC=C1CC=C)N/N=C/C(C=C(OC)C=C2)=C2OC(C)=O,0.0
72117,CO-ADD:0215548,-5.12,n1c(c(cc2)ccc2c3ccccc3)csc1N\N=C\c(ccc(c4OC)OC)c4,0.0
72118,CO-ADD:0215568,-5.13,C(=O)(c1ccc(cc1)OC)Oc2cc(ccc2\C=N\c(cc3)ccc3Cl)OC(=O)c4ccc(cc4)OC,0.0
72119,CO-ADD:0215493,-5.13,C(F)(F)(F)c1cccc(c1)NC(=O)CC(=O)N\N=C\c(cc2)ccc2Cl,0.0
72120,CO-ADD:0165879,-5.13,C(=O)(C\C(\C)=N\NC(COc(ccc(c1C)Br)c1)=O)Nc2ccccc2F,0.0
72121,CO-ADD:0166653,-5.13,C1(C2c3ccc(cc3)OCC=C)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
72122,CO-ADD:0218809,-5.13,[N+](=O)([O-])c(cc1)ccc1C(=O)NC(CSCc2ccccc2)C(=O)N\N=C(/C)\c3ccccc3,0.0
72123,CO-ADD:0218498,-5.13,C(CSc1ccccc1C)(=O)N\N=C\c(cc2)ccc2Cl,0.0
72124,CO-ADD:0218618,-5.13,N1C(C)(C)CC(CC1(C)C)OC(CCCCCCCCC(=O)OC(CC2(C)C)CC(N2)(C)C)=O,0.0
72125,CO-ADD:0218464,-5.13,c1(OCC(=O)N\N=C\c(cc2)ccc2Br)c(Br)cc(cc1Br)Br,0.0
72126,CO-ADD:0217716,-5.13,C(=O)(N\N=C/c1cccc(Br)c1)c2ccc(cc2)NC(C)=O,0.0
72127,CO-ADD:0215181,-5.13,c1(c2ccccc2)cc(ccc1C(=O)OCC(=O)c3ccc(cc3)Cl)C(=O)OCC(=O)c4ccc(cc4)Cl,0.0
72128,CO-ADD:0157284,-5.13,O=C(N/N=C/C1=CC(OC)=CC=C1OC(C)=O)COC2=CC(C)=C(Br)C=C2C(C)C,0.0
72129,CO-ADD:0157020,-5.13,N#CC1=C(SCC(NC(C=CC=C2)=C2I)=O)N=C(C(C=C3)=CC=C3Br)C=C1C4=CC=CC=C4,0.0
72130,CO-ADD:0157236,-5.13,N#CC1=C(OCC(N/N=C/C2=CC=NC=C2)=O)N=C(C)C=C1COC,0.0
72131,CO-ADD:0157133,-5.13,O=C(C(C=CC=C1)=C1Cl)N/C(C(N/N=C/C2=CC=NC=C2)=O)=C/C3=CC=CS3,0.0
72132,CO-ADD:0157181,-5.13,O=C(NC1=C/2C=CC=C1)C2=N\NC(COC3=CC(Cl)=CC=C3)=O,0.0
72133,CO-ADD:0157197,-5.13,[O-][N+](C1=CC(/C=N/NC(C(C=C2)=CC=C2OCC3=CC=C(C=C3)Br)=O)=C(OCC)C=C1)=O,0.0
72134,CO-ADD:0163055,-5.13,C(=O)(N\N=C(/C)\CC(=O)NC(C)(C)C)c1cnccn1,0.0
72135,CO-ADD:0166536,-5.13,N1(\N=C\c(cc2)ccc2Cl)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
72136,CO-ADD:0166146,-5.14,c1(c(\C=N\NC(COc(cc2)c(Br)cc2[N+](=O)[O-])=O)ccc(OC(C)=O)c1OC)[N+](=O)[O-],0.0
72137,CO-ADD:0166492,-5.14,c1(c(ccc(c1)[N+](=O)[O-])SCC(O)=O)[N+](=O)[O-],0.0
72138,CO-ADD:0165930,-5.14,[N+](=O)([O-])c(cccc1C(=O)Oc2ccc(c3c2\C=N\c(ccc(c4C)C)c4)cccc3)c1,0.0
72139,CO-ADD:0166311,-5.14,N1=C(N\N=C\c2cc(OC)ccc2O)SC(C)C1=O,0.0
72140,CO-ADD:0166538,-5.14,C(=O)(N\N=C\c(ccc(c1Cl)Cl)c1)C(=O)Nc(cc2)ccc2CC,0.0
72141,CO-ADD:0166350,-5.14,C(=O)(C(c1ccccc1)c2ccccc2)NCc(cccn3)c3,0.0
72142,CO-ADD:0164586,-5.14,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,0.0
72143,CO-ADD:0164990,-5.14,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,0.0
72144,CO-ADD:0165016,-5.14,CC(CN1c2ccccc2Sc2ccccc12)N(C)C.Cl,0.0
72145,CO-ADD:0164949,-5.14,NC(=N)Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1,0.0
72146,CO-ADD:0158001,-5.14,N#CC1=C(N)SC(N)=C(C#N)C1C2=CC=CS2,0.0
72147,CO-ADD:0217685,-5.14,N1(c2ccc(c(C)c2)C)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
72148,CO-ADD:0217693,-5.14,N1(c2ccc(cc2)\C=C\C(c3ccccc3)=O)C(=O)c(c4C1=O)ccc(c4)C(=O)Oc(cc5)ccc5Oc(cc6)ccc6OC(=O)c(ccc(c7C8=O)C(N8c9ccc(cc9)\C=C\C(c%10ccccc%10)=O)=O)c7,0.0
72149,CO-ADD:0215037,-5.14,C1(=C(c2c(cccc2)CC13CCCCC3)NC(N4c5ccc(cc5)OC)=S)C4=O,0.0
72150,CO-ADD:0217757,-5.14,N(=C\c(cc1)ccc1OCc2ccccc2)/NC(CCCC(=O)Nc(cc3)ccc3Br)=O,0.0
72151,CO-ADD:0157037,-5.14,N#CC1=C(SCC(NC2=C(C=CC=C2)[N+]([O-])=O)=O)N=C(C3=CC=CS3)C=C1C4=CC=CC=C4,0.0
72152,CO-ADD:0163520,-5.14,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccccc2C)=O)c3ccco3,0.0
72153,CO-ADD:0163232,-5.15,c1(C(=O)c2ccc(cc2)C)sc3c(c(C)cc(C)n3)c1N,0.0
72154,CO-ADD:0163288,-5.15,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\c(cc2)ccc2C,0.0
72155,CO-ADD:0163624,-5.15,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(COc2ccc(cc2Br)OC)=O)C(C)(C)C,0.0
72156,CO-ADD:0163538,-5.15,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cc(I)ccc3O,0.0
72157,CO-ADD:0163258,-5.15,C(COc1ccccc1Br)(=O)N\N=C\c2ccccc2OCC#C,0.0
72158,CO-ADD:0166180,-5.15,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc2c(C)cccc2C)=O,0.0
72159,CO-ADD:0166628,-5.15,C(CNc1ccccc1)(=O)N\N=C\c2cccc(OC)c2O,0.0
72160,CO-ADD:0165881,-5.15,C(=O)(Nc(cc1)ccc1F)C\C(\C)=N\NC(COc(ccc(c2C)Br)c2)=O,0.0
72161,CO-ADD:0166514,-5.15,C(=O)(N\N=C\c1ccccc1OCc2ccccc2Cl)C(=O)Nc3ccccc3C,0.0
72162,CO-ADD:0165889,-5.15,C(=N/Nc(cccc1[N+](=O)[O-])c1)(/C(=O)NC(N2)=O)\C2=O,0.0
72163,CO-ADD:0164531,-5.15,OC(=O)CCCc1ccccc1,0.0
72164,CO-ADD:0164647,-5.15,Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1,0.0
72165,CO-ADD:0164663,-5.15,O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12.Cl,0.0
72166,CO-ADD:0164581,-5.15,C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0.0
72167,CO-ADD:0164605,-5.15,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,0.0
72168,CO-ADD:0164645,-5.15,CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF,0.0
72169,CO-ADD:0159672,-5.15,O=Cl(=O)([O-])=O.O=Cl(=O)([O-])=O.O=C(C1=CC=C(C2=CC=CC3=C12)N4N=[N+]5C(C[N+]67CC[N+]8(CCC[N+]9%10CC%11=CN(N=[N+]%11[Cu]8695[N+]([H])(CCC7)CC%10)C%12=CC=C(C%13=C(C%14=O)C=CC=C%13%12)C(N%14CC)=O)[H])=C4)N(C3=O)CC.O,0.0
72170,CO-ADD:0217482,-5.15,N1\C(=N/N=C/c(ccc(c2[N+](=O)[O-])Cl)c2)\S\C(=C\c(ccc(c3OC)OC)c3)\C1=O,0.0
72171,CO-ADD:0217690,-5.15,N1(c2ccc(cc2)Sc(cc3)ccc3Oc(cc4)ccc4Sc(cc5)ccc5N6C(=O)C=CC6=O)C(=O)C=CC1=O,0.0
72172,CO-ADD:0215066,-5.15,C(/C(OCC)=O)(\C(OCC)=O)=C/Nc1ccc(cc1OC)OC,0.0
72173,CO-ADD:0215267,-5.15,c1(c(ccc(c1)[N+](=O)[O-])NC(C)(CO)CO)[N+](=O)[O-],0.0
72174,CO-ADD:0163266,-5.15,c1(ccc(CCl)o1)C(OC)=O,0.0
72175,CO-ADD:0163282,-5.16,c1(\C=N\NC(COc2cccc(Cl)c2)=O)cc(OC)ccc1O,0.0
72176,CO-ADD:0163298,-5.16,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c2cccc(cccc3)c23)c1,0.0
72177,CO-ADD:0163058,-5.16,c1(c(C)non1)N(Cc2ccc(cc2Cl)Cl)N=Nc3c(C)non3,0.0
72178,CO-ADD:0163650,-5.16,c1(\C=N\NC(COc(ccc(c2C)C)c2)=O)cc(Br)cc(C)c1O,0.0
72179,CO-ADD:0164677,-5.16,CN[C@@H]1C[C@H](c2ccccc12)c1ccc(Cl)c(Cl)c1.Cl,0.0
72180,CO-ADD:0164688,-5.16,CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1.Br,0.0
72181,CO-ADD:0164707,-5.16,CC[C@H](N1CCCC1=O)C(N)=O,0.0
72182,CO-ADD:0164452,-5.16,Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F,0.0
72183,CO-ADD:0164468,-5.16,CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O,0.0
72184,CO-ADD:0164783,-5.16,C[N+]1(C)CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1.[Br-],0.0
72185,CO-ADD:0216846,-5.16,C(C(NCC=C)=O)C(=O)N\N=C\c(cc1)ccc1OCc(cc2)ccc2C,0.0
72186,CO-ADD:0215195,-5.16,c1(c(ccc(c1)[N+](=O)[O-])Nc(cc2)ccc2C(OCCC(C)C)=O)[N+](=O)[O-],0.0
72187,CO-ADD:0215259,-5.16,C1(NC(=O)C23CC(CC4C2)CC(C4)C3)=C(C)N(N(c5ccccc5)C1=O)C,0.0
72188,CO-ADD:0215206,-5.16,c1(N(CC2)CCO2)nc(N\N=C\c3cccc(Br)c3)nc(Nc4cc(C)ccc4C)n1,0.0
72189,CO-ADD:0217710,-5.16,c1(ccccc1Br)C(=O)N\N=C(\C)/c2ccc(cc2)CCCC(OCC)=O,0.0
72190,CO-ADD:0215183,-5.16,N1(c(cc2)ccc2C(OCCC(C)C)=O)C(=O)c(c3C1=O)ccc(C(OC)=O)c3,0.0
72191,CO-ADD:0215271,-5.16,N1(c2cccc(cccc3)c23)C(=O)C(C4C1=O)C(c5ccccc5)C=CC4c6ccccc6,0.0
72192,CO-ADD:0163666,-5.16,C(=O)(O\N=C(/C)\c1ccccc1)Nc2ccccc2Cl,0.0
72193,CO-ADD:0163106,-5.16,c1(C#N)c(SCC)nc(cc1C(F)(F)F)c2cccs2,0.0
72194,CO-ADD:0163531,-5.16,C(=O)(N\N=C\c1ccc(cc1O)C)c(ccc(c23)OCCO2)c3,0.0
72195,CO-ADD:0160591,-5.16,[O-][N+](C(C=C1)=CC=C1CSCC(N/N=C/C2=CC(OC)=C(OC)C(OC)=C2)=O)=O,0.0
72196,CO-ADD:0158605,-5.16,O=C(C1=C2C=CC(C(O)=O)=C1)N(C(C=C3)=CC=C3C(OCCCCC)=O)C2=O,0.0
72197,CO-ADD:0158701,-5.17,O=C(C(C=C1)=CC=C1C(C)(C)C)N/N=C(C)/CC(NC2=CC3=C(C=C2)N(CC)C4=C3C=CC=C4)=O,0.0
72198,CO-ADD:0215433,-5.17,C(=O)(C\C(\C)=N\NC=O)Nc1cc(C)ccc1OC,0.0
72199,CO-ADD:0215441,-5.17,C(CSCc1ccccc1C)(=O)N\N=C\c(cc2)ccc2C,0.0
72200,CO-ADD:0215561,-5.17,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\NC(=O)C(=O)NC(C)(C)C,0.0
72201,CO-ADD:0214929,-5.17,C(=O)(N\N=C\c(cc1)ccc1OCc(cc2)ccc2C)C(NCC=C)=O,0.0
72202,CO-ADD:0215617,-5.17,[N+](=O)([O-])c(ccc(c1\C=N\NC(CSCc2cccc(Cl)c2)=O)OC)c1,0.0
72203,CO-ADD:0164741,-5.17,CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C,0.0
72204,CO-ADD:0164713,-5.17,Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C.Cl,0.0
72205,CO-ADD:0164811,-5.17,CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,0.0
72206,CO-ADD:0164489,-5.17,CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]1O.Cl,0.0
72207,CO-ADD:0164457,-5.17,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O,0.0
72208,CO-ADD:0164796,-5.17,CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1.Cl,0.0
72209,CO-ADD:0217594,-5.17,c(cc1C)(c2c(n1)cccc2)C(=O)N\N=C\c3ccccc3OCC,0.0
72210,CO-ADD:0216858,-5.17,n1(cnc(c1)n2nnc(c3ccc(Cl)cc3Cl)c2)C(C)(C)C,0.0
72211,CO-ADD:0216820,-5.17,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2cccc(c2)\C=N\c(ccc(c3Cl)Cl)c3)c1,0.0
72212,CO-ADD:0216836,-5.17,C(=O)(C(NCCc(ccc(c1OC)OC)c1)=O)Nc2cc(C)ccc2C,0.0
72213,CO-ADD:0217620,-5.17,C(=O)(N\N=C\c1ccccc1OCC#C)c2ccc(cc2)OC,0.0
72214,CO-ADD:0215199,-5.17,c1(c(NCCN(C)C)ccc(c1)[N+](=O)[O-])[N+](=O)[O-].Cl,0.0
72215,CO-ADD:0215072,-5.17,C(/C(OCC)=O)(\C(OCC)=O)=C/Nc(c(OC)cc(c12)c3c(cccc3)o1)c2,0.0
72216,CO-ADD:0215265,-5.17,c1(ccccc1Cl)C(NCCc(cc2)ccc2Cl)=O,0.0
72217,CO-ADD:0158397,-5.17,FC(C(F)(F)C(NC1=C(Cl)C=CC(C(F)(F)F)=C1)=O)(F)C(F)(F)C(F)(F)C(NC2=C(Cl)C=CC(C(F)(F)F)=C2)=O,0.0
72218,CO-ADD:0157165,-5.17,O=C(NC1=C/2C=CC=C1)C2=N\C3=CC=C(C=C3)C4=CC=CC=C4,0.0
72219,CO-ADD:0158432,-5.17,O=C(NC1=CC=C(OC)C=C1)C(C=C2)=CC=C2NC(C3=CC=C(Cl)C=C3)=O,0.0
72220,CO-ADD:0158440,-5.17,O=C(N(CC)C1=CC=CC=C1)C(C=C2)=CC=C2NC(C3=CC=CC=C3NC(C4=CC=CC=C4)=O)=O,0.0
72221,CO-ADD:0158480,-5.17,O=S(C1=CC(C(NC(C=CC=C2)=C2C)=O)=CC=C1C)(NC(C=C3)=CC=C3CC)=O,0.0
72222,CO-ADD:0158793,-5.17,[O-][N+](C1=CC=C(C(/C=N/NC(C(C)OC(C=CC=C2)=C2Br)=O)=C1)O)=O,0.0
72223,CO-ADD:0215786,-5.18,C(=O)(N\N=C\c(cc1)ccc1Cl)OC(C)(C)C,0.0
72224,CO-ADD:0166005,-5.18,C(=O)(C\C(\C)=N\NC(COc(cc(C)c(c1)Br)c1Br)=O)Nc2c(Cl)ccc(Cl)c2,0.0
72225,CO-ADD:0166546,-5.18,C(=O)(N\N=C\c1c(cccc1Cl)Cl)C(=O)Nc2cc(C)ccc2C,0.0
72226,CO-ADD:0166265,-5.18,N(c1ccccc1C)(C(=O)C2C3C4OC2C=C4)C3=O,0.0
72227,CO-ADD:0166606,-5.18,[N+](=O)([O-])c(cccc1C(=O)Oc(ccc(c23)OC(C=C2C)=O)c3)c1,0.0
72228,CO-ADD:0166540,-5.18,C(=O)(N\N=C\c(cc1)ccc1OC)C(=O)Nc2cc(C)ccc2C,0.0
72229,CO-ADD:0164404,-5.18,CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12.OC(=O)CCC(=O)O,0.0
72230,CO-ADD:0164844,-5.18,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O,0.0
72231,CO-ADD:0164934,-5.18,Oc1ccc2CC3N(CC4CC4)CC[C@]5([C@H]6Oc1c25)[C@@]3(O)Cc7c6[nH]c8ccccc78.O.Cl,0.0
72232,CO-ADD:0164974,-5.18,CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C([O-])=O.[Na+],0.0
72233,CO-ADD:0164982,-5.18,OC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O,0.0
72234,CO-ADD:0164617,-5.18,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,0.0
72235,CO-ADD:0215361,-5.19,c1(C#N)c(C)c(C)c(nc1SCC(=O)CC(OC(C)C)=O)C,0.0
72236,CO-ADD:0217755,-5.19,C(CSCc1cccc(cccc2)c12)(=O)Nc(ccc(c34)cccc3)c4,0.0
72237,CO-ADD:0215268,-5.19,C(F)(F)(COc1ccc(cc1NC(=O)c2cccc(cccc3)c23)C(F)(F)F)C(F)F,0.0
72238,CO-ADD:0215196,-5.19,C(CCC(OC)=O)(=O)Nc(cc1)ccc1C(C)=O,0.0
72239,CO-ADD:0215260,-5.19,C1(NC(CCc2ccccc2)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
72240,CO-ADD:0217711,-5.19,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OC(c3ccccc3)=O)c4ccccc4OC,0.0
72241,CO-ADD:0158345,-5.19,[O-][N+](C1=CC=C(C=C1)N(N=C/2C)C(C2=C\C3=CC(OCO4)=C4C=C3)=O)=O,0.0
72242,CO-ADD:0158125,-5.19,O=C(N/N=C(C)/CC(NC1=CC=CN=C1)=O)C(NC(C=CC=C2)=C2OC)=O,0.0
72243,CO-ADD:0158445,-5.19,O=C(NC1=CC=C(C=C1)C(N/N=C/C(C=CC=C2)=C2OC)=O)C(C=CC=C3)=C3Br,0.0
72244,CO-ADD:0158604,-5.19,O=C(C1=C2C=CC(C(O)=O)=C1)NC2=O,0.0
72245,CO-ADD:0157932,-5.19,O=C(N/N=C(C)/C(C=C1)=CC=C1N)C2=CC(OC)=C(OC)C(OC)=C2,0.0
72246,CO-ADD:0158380,-5.19,[O-][N+](C1=CC=CC(C2=NNC(C3=CC=C(C=C3)[N+]([O-])=O)C2)=C1)=O,0.0
72247,CO-ADD:0166384,-5.19,[N+](=O)([O-])c1ccc(cc1)COc(cc2)ccc2\C=N\c(cc3)ccc3Br,0.0
72248,CO-ADD:0164936,-5.19,O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC([O-])=O.O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC([O-])=O.[Ca+2],0.0
72249,CO-ADD:0164592,-5.19,COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC.Cl.Cl,0.0
72250,CO-ADD:0217484,-5.19,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c(ccc4c(cccc5C(O)=O)c5)o4,0.0
72251,CO-ADD:0215031,-5.19,c1(ccccc1NC(=O)C\C(\C)=N\NC(COc(cc2)ccc2C)=O)C(OC)=O,0.0
72252,CO-ADD:0217727,-5.19,C(=O)(c1ccc(cc1)C)CCN(C)C.Cl,0.0
72253,CO-ADD:0217743,-5.2,N1(CNc2cccc(Cl)c2C)C(=O)\C(\SC1=S)=C/c(cc3)ccc3OC,0.0
72254,CO-ADD:0215553,-5.2,C(C(C)SCc1ccccc1)(=O)N\N=C\c(cc2)ccc2C#N,0.0
72255,CO-ADD:0215057,-5.2,C(=O)(Nc(cc1)ccc1\C=C\C(c2ccccc2)=O)c(c3)cc(cc3NC(c4ccccc4)=O)NC(c5ccccc5)=O,0.0
72256,CO-ADD:0157271,-5.2,O=S(NC(C)C(C=C1)=CC=C1OC)(C(C=C2)=CC=C2C)=O,0.0
72257,CO-ADD:0158404,-5.2,[O-][N+](C1=CC=CC(/C=N/NC(C2=CC(Br)=C(OC)C=C2)=O)=C1)=O,0.0
72258,CO-ADD:0157550,-5.2,O=C(C1)N(C(C=C2)=CC=C2C)CC1C(NC3=CC=C(OCC)C=C3)=O,0.0
72259,CO-ADD:0158486,-5.2,O=S(C(C=C1)=CC=C1C(NC2=CC=CC=C2OC)=O)(C3=CC=CC=C3)=O,0.0
72260,CO-ADD:0158362,-5.2,O=C(NC1=C(OC)C=CC(C(NC2=CC=CC=C2)=O)=C1)C3(CC4C5)CC5C[C@@H](C4)C3,0.0
72261,CO-ADD:0158378,-5.2,CCCCCCCCN1CCN(CC1)CC2=CC=CC=C2.Cl.Cl,0.0
72262,CO-ADD:0158426,-5.2,O=C(C(C=C1)=CC=C1NC(CCCC(OC)=O)=O)NC2=CC=C(OC)C=C2,0.0
72263,CO-ADD:0158100,-5.2,[O-]S(C(C=C1)=CC=C1NC(C2=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C2)=O)(=O)=O.[Na+],0.0
72264,CO-ADD:0157372,-5.2,[O-][N+](C1=CC=CC=C1/C=N/NC(CSCC2=CC(C)=C(C(C)=C2)O)=O)=O,0.0
72265,CO-ADD:0156924,-5.2,O=C(C1=CC=CC=C1)N(CC2)CCN2CC(NC3=NC=CS3)=O,0.0
72266,CO-ADD:0155206,-5.2,ClC1=CC(C2=NC3=CC(/N=C/C4=CC=C(C(C=C5)=CC=C5F)O4)=CC=C3O2)=CC=C1,0.0
72267,CO-ADD:0155310,-5.2,S=C(OC1=CC(C(NC2=C(C=CC=C3)C3=CC=C2)=O)=CC=C1)NC4=CC=CC5=C4C=CC=C5,0.0
72268,CO-ADD:0157718,-5.2,[O-][N+](C1=CC2=C(C=C1)N=C(SCC(N3C(C)CC(C)CC3)=O)S2)=O,0.0
72269,CO-ADD:0215275,-5.2,N1(c2ccc(cc2)Cl)C(=O)C3C(C(c4ccccc4)C=CC3c5ccccc5)C1=O,0.0
72270,CO-ADD:0166246,-5.2,c1(ccccc1OC)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2Nc3ccccc3,0.0
72271,CO-ADD:0166600,-5.2,c1(Br)c(ccc(cccc2)c12)OCC(=O)N\N=C\c(cccn3)c3,0.0
72272,CO-ADD:0164991,-5.2,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,0.0
72273,CO-ADD:0165055,-5.21,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,0.0
72274,CO-ADD:0164596,-5.21,CCN(C(=O)\C=C\C)c1ccccc1C,0.0
72275,CO-ADD:0158302,-5.21,O=C(CCN1CCCCC1)C2=C(CC)OC3=C2C=CC=C3.Cl,0.0
72276,CO-ADD:0158135,-5.21,O=C(C(C=C1)=CC=C1Br)OC(C=C2)=CC=C2/C=N/NC(C3=CC=NC=C3)=O,0.0
72277,CO-ADD:0158007,-5.21,N=C(SC1CC(C2=CC(CCCC3)=C3C=C2)=O)NC1=O,0.0
72278,CO-ADD:0158146,-5.21,N#CC1=CC=CC=C1OCC(N/N=C/C2=CC(Br)=C(OC)C=C2)=O,0.0
72279,CO-ADD:0158202,-5.21,[O-][N+](C(C=C1)=CC(C)=C1NC(C(C2=CC=CC=C2)C3=CC=CC=C3)=O)=O.O,0.0
72280,CO-ADD:0217392,-5.21,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OC)\C=N\NC(=O)c(ccc(n3)C)c3,0.0
72281,CO-ADD:0217240,-5.21,[N+](=O)([O-])c1cccc(c1)NCC(=O)c2ccc(c(C)c2)F,0.0
72282,CO-ADD:0216944,-5.21,n1c(c2ccc(cc2)I)csc1Nc(cc3)ccc3C,0.0
72283,CO-ADD:0217160,-5.21,c1(C#N)c(c2ccc(cc2)OC)c3c(nc1SCC(=O)c4ccc(cc4)F)CCCC3,0.0
72284,CO-ADD:0217157,-5.21,C(C(OCCOC)=O)(C1c(cccn2)c2)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
72285,CO-ADD:0217114,-5.21,c1(c(CCN(C)C1)nc(c2C#N)SCC(OCc3ccccc3)=O)c2c4cccs4,0.0
72286,CO-ADD:0157026,-5.21,N#CC1=C(SCC(C(C)(C)C)=O)N=C(C(C=C2)=CC=C2Br)C=C1C3=CC=CC=C3,0.0
72287,CO-ADD:0149452,-5.21,c(c(C(\C=C\c(cc1OC)cc2c1OCO2)=O)ccc3OC)c3,0.0
72288,CO-ADD:0149468,-5.21,c1(N)c(c(cc2)ccc2)n(c(cc3Cl)ccc3)nn1,0.0
72289,CO-ADD:0149512,-5.21,C(O)c(cc(OC)c(OC1)c2NC1=O)c2,0.0
72290,CO-ADD:0149325,-5.21,COc(c(c(cc(c1)F)cc1)cc(C(c(ccc(c2)N)c2)=O)c3)c3,0.0
72291,CO-ADD:0148622,-5.21,n(n1)(c(N2)c(C(c3cc(OC)c(OCO4)c4c3OC)CC2=O)c1C)c(nnc5N6CCOCC6)cc5,0.0
72292,CO-ADD:0149015,-5.21,c(C(c(cc1Br)ccc1)=O)(c(N)c2)cc3c2OCCO3,0.0
72293,CO-ADD:0149148,-5.21,c(c(OC)cc1C(Nc2c(C(Nc3cccnc3)=O)cccc2)=O)(c(c1)OC)OC,0.0
72295,CO-ADD:0149164,-5.21,c(c1)c([nH]2)c(c(C(=O)C(=O)Nc(c3)cc(OC)c(OC)c3OC)c2)cc1F,0.0
72296,CO-ADD:0163424,-5.22,c1(c2ccc(cc2)I)ccc(\C=N\NC(=O)c(ccc(c34)OCCO3)c4)o1,0.0
72297,CO-ADD:0163936,-5.22,N1(CCCC)C=CC(C=C1)=N.I,0.0
72298,CO-ADD:0163704,-5.22,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc(cc2)ccc2OCCCCC)c1,0.0
72299,CO-ADD:0163763,-5.22,C(=O)(Nc1cccc(Cl)c1)CC(=O)N\N=C\c2cc(OC)ccc2OC,0.0
72300,CO-ADD:0163387,-5.22,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O)[N+](=O)[O-],0.0
72301,CO-ADD:0163771,-5.23,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3c(cccc3Cl)Cl)C(=O)Oc(cc4)ccc4\C=N\c5c(cccc5Cl)Cl,0.0
72302,CO-ADD:0161756,-5.23,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c2cc(Cl)ccc2O)nc3Nc4ccccc4)n3,0.0
72303,CO-ADD:0161764,-5.23,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(cccc2[N+](=O)[O-])c2)nc3Nc(cc4)ccc4OC)n3,0.0
72304,CO-ADD:0161788,-5.23,C(CNc1ccccc1)(=O)N\N=C/c(ccc(c2O)O)c2,0.0
72305,CO-ADD:0161416,-5.23,[N+](=O)([O-])c(cc1)cc(c1N(C)C2CCCCC2)\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
72306,CO-ADD:0161440,-5.23,n1c(c(ccc(c2Cl)Cl)c2)csc1Nc(cc3)ccc3O.Br,0.0
72307,CO-ADD:0161353,-5.23,n(c1c(CCCC1)cc2C#N)c2SCC(=O)CC(OCC)=O,0.0
72308,CO-ADD:0137656,-5.23,c1(C(=O)NN=Cc(cc2OC)cc(c2OC)OC)nonc1N,0.0
72309,CO-ADD:0137869,-5.23,O=C1CC(C(C(C)=N2)=C(N1)N2C3=NC4=C(N3)C=CC=C4)C5=CC(OC)=C(O)C=C5,0.0
72311,CO-ADD:0149249,-5.23,C(=C/c(ccc(c1OC)OC)c1OC)(/Oc2c3ccc(O)c2)\C3=O,0.0
72312,CO-ADD:0149207,-5.23,s1c(C(c(c2)cccc2OC)CC3=O)c(N3)c(c1)c4ccc(OC)c(OC)c4,0.0
72314,CO-ADD:0137881,-5.23,COC1=CC(C2C(C#N)=C(N)OC3=C2C(CCC3)=O)=C(OC)C4=C1OCO4,0.0
72315,CO-ADD:0148745,-5.23,c1(c[nH]nc1c2ccc(cc2O)O)c3ccccc3OC,0.0
72316,CO-ADD:0148930,-5.23,c12c(CCNC1c3ccc(cc3)Cl)cc(c4c2)OCCO4.Cl,0.0
72318,CO-ADD:0148863,-5.23,o(c(c1ccc(c(OC)c1)OC)nn2)c2c3ccc(c(OC)c3)OC,0.0
72319,CO-ADD:0148887,-5.23,C(C#N)(C(c1ccc(cc1)F)c(ccc(c2)N)c2O3)=C3N,0.0
72320,CO-ADD:0148981,-5.23,C12=C(CCC1=O)Nc(ccc(cccc3)c34)c4C2c5ccc(c6c5)OCO6,0.0
72321,CO-ADD:0163760,-5.23,C(N(CC)CC)(=S)Oc(cccc1C(=O)Nc(cc2)ccc2I)c1,0.0
72322,CO-ADD:0163753,-5.23,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2N(C)C)c3ccccc3Cl,0.0
72323,CO-ADD:0163441,-5.23,C(=O)(N\N=C\c(cc1)ccc1\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c(ccc(c45)OCCO4)c5,0.0
72324,CO-ADD:0162731,-5.23,C(=O)(Nc(cc1)ccc1Cl)Nc(ccc(c2Cl)Cl)c2,0.0
72325,CO-ADD:0162339,-5.23,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(cc(Br)cc2Br)c2O)c1,0.0
72326,CO-ADD:0137694,-5.23,C1Oc(ccc2CNc3csnc3C(=O)Nc4cc(C(F)(F)F)ccc4)c(O1)c2,0.0
72327,CO-ADD:0137727,-5.23,O=C(c1n(C)c([N+](=O)[O-])cn1)N(Cc2ccccc2)C,0.0
72328,CO-ADD:0137712,-5.23,c(c(nc(NCc(ccc1c2OCO1)c2)o3)n3)(c4N)non4,0.0
72330,CO-ADD:0149212,-5.24,s1c2c(NC(=O)CC2c(cncc3)c3)c(c1)c4ccc(OC)c(c4)OC,0.0
72332,CO-ADD:0149253,-5.24,c1(C(c(cc(OC2)c3O2)cc3)=O)c(N)c(c(C(F)(F)F)c4c(CCCC4)n5)c5s1,0.0
72334,CO-ADD:0137832,-5.24,O=S(C1=CSC(C(C2=CC=C(C=C2)C(F)(F)F)C3)=C1NC3=O)(C(C=C4)=CC=C4Cl)=O,0.0
72335,CO-ADD:0148718,-5.24,C1(c2ccc(c(OC)c2)OC)=COc(c3C1=O)cc(cc3)OCC(OC)=O,0.0
72339,CO-ADD:0137836,-5.24,O=S(C1=CSC(C(C2)C3=CC(OC)=C(O)C(OC)=C3)=C1NC2=O)(C4=CC=C(Cl)C=C4)=O,0.0
72340,CO-ADD:0148692,-5.24,n1(c(O)cc(c2ccc(c(OC)c2)OC)n1)c3[nH]c(c4n3)cccc4,0.0
72341,CO-ADD:0162264,-5.24,c1(N(CC2)CCO2)nc(N\N=C/c3ccccc3Cl)nc(Nc4cccc(Br)c4)n1,0.0
72342,CO-ADD:0162716,-5.24,C1(\N=C\c2ccccc2OC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
72343,CO-ADD:0162704,-5.24,C(=O)(Oc(cc1)ccc1OC(=O)c2ccccc2C)c3ccccc3C,0.0
72344,CO-ADD:0162248,-5.24,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3OC)nc(Nc4cccc(Br)c4)n1,0.0
72345,CO-ADD:0162569,-5.24,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2)N(CC3)CCN3CCO,0.0
72346,CO-ADD:0162721,-5.25,N(=C\c(ccc(c1OC)OC)c1)/NC(CCCCC(=O)N\N=C\c(ccc(c2OC)OC)c2)=O,0.0
72347,CO-ADD:0137640,-5.25,c1(cc(cccc2)c2n3)c3c4c(cc(cc4)C)C1=O,0.0
72348,CO-ADD:0137701,-5.25,c1(C(=O)C(O)=CC(C(OC)=O)=C2)c2c(Br)c(c(O)c1O)OC,0.0
72349,CO-ADD:0137705,-5.25,c1(nonc1N)c(cccn2)c2,0.0
72350,CO-ADD:0137728,-5.25,O=C(c1n(C)c([N+](=O)[O-])cn1)NC2CC2,0.0
72351,CO-ADD:0137647,-5.25,c1(C(=O)NN=Cc(cc2)ccc2C(C)(C)C)nonc1N,0.0
72352,CO-ADD:0137651,-5.25,c1(C(=O)NN=Cc2c(cccc2Cl)Cl)nonc1N,0.0
72353,CO-ADD:0137840,-5.25,CC1C(C2=CC=C(OC)C=C2)=NOC1C(C=C3OC)=C(OC)C4=C3OCO4,0.0
72354,CO-ADD:0149514,-5.25,c(c(OC(N)=C(C#N)C1c(cc(OCCO2)c23)cc3OC)c1cc4)c4OC,0.0
72355,CO-ADD:0149210,-5.25,s(cc1c(c2)ccc(OC)c2OC)c3c1NC(CC3c(cc(OC)c4O)cc4OC)=O,0.0
72357,CO-ADD:0137827,-5.25,NC(C1=CC=CN=C1S2)=C2C(C3=CC=C(Br)C=C3)=O,0.0
72358,CO-ADD:0155483,-5.25,N#CC1=C(N)OC(C=C2[N+]([O-])=O)=C(C=C2)C1C3=C(C=CC=C4)C4=CC=C3O,0.0
72359,CO-ADD:0156116,-5.25,O=C(C1=CC=CC=C21)N(/N=C/C3=CC=C(C=C3)OC(C4=CC=C(OC)C=C4)=O)C2=O,0.0
72360,CO-ADD:0156153,-5.25,[O-][N+](C1=C(O)C(OC)=CC(/C=N/C(C=C2)=CC=C2C)=C1)=O,0.0
72361,CO-ADD:0156353,-5.25,O=C(/C(C1=C2C(C)=CC(Br)=C1)=N/NC(COC(C=C3)=CC=C3OC)=O)N2C,0.0
72362,CO-ADD:0156472,-5.25,O=C(NCC(N/N=C/C1=CC=CC=C1OC)=O)C2=CC=CO2,0.0
72363,CO-ADD:0156077,-5.25,O=C1/C(N=C(C2=CC=C(I)C=C2)O1)=C\C3=CC(OC)=C(C(OC)=C3)OC,0.0
72364,CO-ADD:0162678,-5.25,c(C#N)(cc(C(C)=O)c(n1)C)c1SCc(ccc(c2Cl)Cl)c2,0.0
72365,CO-ADD:0162710,-5.25,N1(c2cccc(Br)c2)C(=O)c3c(c4C1=O)c(ccc3)c(cc4)NCCO,0.0
72366,CO-ADD:0162180,-5.25,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cc4)ccc4C(OC)=O,0.0
72367,CO-ADD:0162302,-5.25,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c2cc(Br)ccc2OC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
72368,CO-ADD:0162326,-5.26,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2Br)\C=N\NC(COc3c(C(C)C)cc(c(C)c3Br)Br)=O,0.0
72369,CO-ADD:0162663,-5.26,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)CC(OC(C)C)=O)c3ccccc3,0.0
72370,CO-ADD:0163208,-5.26,c1(cccc(cccc2)c12)CC(=O)N\N=C\c(cc3)ccc3C(C)(C)C,0.0
72371,CO-ADD:0163833,-5.26,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
72372,CO-ADD:0162545,-5.26,c(c(\C=C/c1ccccc1Cl)nc(n2)O)([N+](=O)[O-])c2O,0.0
72373,CO-ADD:0162929,-5.26,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)Nc3ccccc3F,0.0
72374,CO-ADD:0162449,-5.26,c1(C(=O)c2ccc(cc2)Br)c(N)c(c3s1)ccc(CC(C)C)n3,0.0
72375,CO-ADD:0162645,-5.26,c1(OC(N)=C(C2c3ccc(C)o3)C#N)c2c(n[nH]1)C,0.0
72376,CO-ADD:0160347,-5.26,[O-][N+](C1=CC=CC=C1OCC(N/N=C/C2=C(C)N(C3=CC=CC=C32)C)=O)=O,0.0
72377,CO-ADD:0159955,-5.26,[O-][N+](C1=CC(C2=CC=C(/C=N/C3=CC(N=C(C(C=C4)=CC=C4C)O5)=C5C=C3)O2)=CC=C1)=O,0.0
72378,CO-ADD:0160335,-5.26,[O-][N+](C1=CC=C(C(/C=N/NC(C2=CC(Br)=CC=C2)=O)=C1)N(CCC3)CC3C(N(CC)CC)=O)=O,0.0
72379,CO-ADD:0160351,-5.26,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC=C(C4=C(Cl)C=C(Cl)C=C4)O3)=C(C)N1C,0.0
72380,CO-ADD:0160499,-5.26,BrC1=CC(Br)=CC=C1N(C(C(C=C2)=CC=C2OC)C3)N=C3/C=C/C(C=C4)=CC=C4OC,0.0
72381,CO-ADD:0160331,-5.26,O=S(OC1=CC=C(C=C1)C(C2=C3C=CC=C2)(C4=C3C=CC=C4)C(C=C5)=CC=C5OS(C(C=C6)=CC=C6[N+]([O-])=O)(=O)=O)(C(C=C7)=CC=C7[N+]([O-])=O)=O,0.0
72382,CO-ADD:0160062,-5.26,ClC1=CC(N=C(C2=CC=CC(/N=C/C3=C(O)C=CC(Br)=C3)=C2)O4)=C4C=C1,0.0
72383,CO-ADD:0161311,-5.26,C1(C2c3ccc(cc3)F)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
72384,CO-ADD:0161599,-5.26,N(\C(=C/c(ccc1c(cccc2[N+](=O)[O-])c2)o1)\C(O3)=O)=C3c4cccc(Br)c4,0.0
72385,CO-ADD:0161104,-5.26,C(=O)(NCC(=O)N\N=C\c(cc1)ccc1C(O)=O)c2ccco2,0.0
72386,CO-ADD:0160047,-5.26,O=C([C@H]1[C@H]2C=C[C@@H]3C2=C(C4=CC=CC=C4)C5=CC=CC=C5)N(C6=CC=CC=C6Cl)C([C@H]31)=O,0.0
72387,CO-ADD:0154951,-5.26,N#CC(C(C1=CC(Cl)=C(Cl)C=C1)C(C2=O)=C(C(C=CC=C3)=C3O2)O4)=C4N,0.0
72388,CO-ADD:0156237,-5.26,ClC1=CC(C2=CSC(NC3=CC=CC(Cl)=C3)=N2)=CC=C1Cl,0.0
72389,CO-ADD:0156285,-5.26,O=C(N1)C(N2C[C@@]3(C)CNC[C@@](C3=O)(C)C2)(O)C4=C1C=CC(Br)=C4,0.0
72390,CO-ADD:0156309,-5.27,O=C(COC(C(Br)=C1)=CC=C1OC)N/N=C/C2=CC=C(I)O2,0.0
72391,CO-ADD:0156458,-5.27,[O-][N+](C1=CC(/C=N/C2=CC(N=C(C3=CC(C)=C(C)C=C3)O4)=C4C=C2)=C(O)C=C1)=O,0.0
72392,CO-ADD:0162218,-5.27,c1(N2CCCC2)nc(N\N=C(/C)\c3ccccc3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
72393,CO-ADD:0162191,-5.27,C(CNc1cccc(C)c1)(=O)N\N=C\c(cc2)ccc2Cl,0.0
72394,CO-ADD:0162319,-5.27,c1(Br)c(Cl)c(Br)cc(Br)c1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c(cc3)ccc3[N+](=O)[O-])Br,0.0
72395,CO-ADD:0154526,-5.27,NC(N/N=C(C)C1=CNC2=CC=CC=C21)=O,0.0
72396,CO-ADD:0162470,-5.27,N1(c(ccc(c2)Cl)c2OC1=O)S(=O)(=O)c(cc3)ccc3[N+](=O)[O-],0.0
72397,CO-ADD:0154328,-5.27,SC(N=C(N)C(C#N)=C1C2=CC=CC=C2)=C1C#N,0.0
72398,CO-ADD:0140036,-5.27,O=[N+](C1=CC=C(C2=C(OC)C=CC=C2N(C3=CC=CC(OC)=C3)C)C(C)=C1)[O-],0.0
72399,CO-ADD:0163177,-5.27,c1(ccc(C=O)o1)c2cccc(Cl)c2Cl,0.0
72400,CO-ADD:0163176,-5.27,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Cl)cc3Cl)c3O)c4ccc(cc4Cl)Cl,0.0
72401,CO-ADD:0163509,-5.27,c(\C=N\NC(COc1ccc(cc1Br)OC)=O)(cc(OCO2)c2c3)c3Cl,0.0
72402,CO-ADD:0163893,-5.27,N1(c(cc2)ccc2C(OC)=O)C(=O)c3c(cc(c4c3)cccc4)C1=O,0.0
72403,CO-ADD:0162836,-5.27,C(=O)(N\N=C\c(cc1)ccc1OCCCC)C(C)Oc(cc2)ccc2Cl,0.0
72404,CO-ADD:0163695,-5.27,c1(c2ccc(cc2)Br)ccc(\C=N\NC(=O)c3ccccc3F)o1,0.0
72405,CO-ADD:0160221,-5.27,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=CC=C(Br)C=C3)=NC(N4CCOCC4)=N2)=O,0.0
72406,CO-ADD:0160127,-5.27,O=C(N/N=C/C1=CC(I)=CC=C1O)CN2C(C3=NON=C3N)=NC4=C2C=CC=C4,0.0
72407,CO-ADD:0161470,-5.27,C1(=O)N(c2ccc(cc2)C)C(=O)\C(\C(=O)N1c3ccc(cc3)C)=C/c4ccco4,0.0
72408,CO-ADD:0161566,-5.27,[N+](=O)([O-])c(cc(Oc(cc1)ccc1NC(C)=O)cc2NC(=O)c3ccc(cc3Cl)Cl)c2,0.0
72409,CO-ADD:0156025,-5.27,NC1=NC=NC(NCCC2=CC=C(C=C2)OCCC)=N1,0.0
72410,CO-ADD:0160653,-5.27,O=CC1=C(C)OC2=C1C=CC=C2,0.0
72411,CO-ADD:0159899,-5.27,O=S(N1CCN(CC1)S(C2=CC=CC([N+]([O-])=O)=C2)(=O)=O)(C3=CC([N+]([O-])=O)=CC=C3)=O,0.0
72412,CO-ADD:0160325,-5.28,NC1=CC=C(C=C1)N(C2=C3C=CC=C2)C4=C3C=CC=C4,0.0
72413,CO-ADD:0160352,-5.28,[O-][N+](C1=CC(/N=C/C(C(O)=C2)=C(C)C=C2O)=C(C)C=C1)=O,0.0
72414,CO-ADD:0160408,-5.28,O=C(C1=C2C=CC(C(NN(C(C3=C4C=CC=C3)=O)C4=O)=O)=C1)N(C2=O)C5=CC=CC(C(NN(C6=O)C(C7=C6C=CC=C7)=O)=O)=C5,0.0
72415,CO-ADD:0159992,-5.28,O=C(N/N=C/C=C/C1=CC=CO1)COC2=C(Br)C=C(Br)C=C2Br,0.0
72416,CO-ADD:0160497,-5.28,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCC(N/N=C/C3=CC=C(C=C3)N(CCC)CCC)=O,0.0
72417,CO-ADD:0156130,-5.28,O=C(NC1=CC=C(OC)C=C1)CCC(N/N=C/C2=CC=C(C=C2)Cl)=O,0.0
72418,CO-ADD:0156413,-5.28,COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3)SC(NC(C=C4)=CC=C4OCC)=N2,0.0
72419,CO-ADD:0156454,-5.28,O=C(CNC1=C(C=CC=C2)C2=CC=C1)N/N=C(C)/C3=CC=C(C=C3)C(C)(C)C,0.0
72420,CO-ADD:0158718,-5.28,OC1(C2=O)C(C3=C2C=CC=C3)=NC(C=CC=C4)=C4O1,0.0
72421,CO-ADD:0155763,-5.28,[O-][N+](C1=CC(NC2=NC(N/N=C/C3=CC=C(C(OC)=C3)OC)=NC(N4CCOCC4)=N2)=CC=C1)=O,0.0
72422,CO-ADD:0161710,-5.28,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\C=C\c4ccccc4[N+](=O)[O-],0.0
72423,CO-ADD:0162081,-5.28,c1(c2ccccc2Cl)nnc(S)[nH]1,0.0
72424,CO-ADD:0162841,-5.28,[N+](=O)([O-])c(ccc(c1NC(=O)c(cc2)ccc2[N+](=O)[O-])OC)c1,0.0
72425,CO-ADD:0162785,-5.28,C(=O)(N\N=C(/C)\CC(=O)Nc(ccc(c1Cl)Cl)c1)C(=O)NC(C)C,0.0
72426,CO-ADD:0162897,-5.29,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)C)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4Cl,0.0
72427,CO-ADD:0162809,-5.29,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCC(=O)Nc2ccccc2Br)=O,0.0
72428,CO-ADD:0140038,-5.29,O=[N+](C1=CC(N(C2=CC=CC=C2)C3=C4C=CC=C3)=C4C=C1)[O-],0.0
72429,CO-ADD:0163311,-5.29,[N+](=O)([O-])c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc(cccc3NC(=O)c4ccc(cc4)Oc(cc5)ccc5[N+](=O)[O-])c3,0.0
72430,CO-ADD:0162928,-5.29,C(=O)(N\N=C\c1cccc(Br)c1)C(=O)NCC2CCCO2,0.0
72431,CO-ADD:0163155,-5.29,C(F)(F)(C(F)(F)COc(cc1)ccc1NC(=O)Nc2cccc(cccc3)c23)C(F)(F)C(F)F,0.0
72432,CO-ADD:0163206,-5.29,C(=O)(c1cccc(c1)NC(=O)\C=C\c2ccccc2)c3cccc(c3)NC(=O)\C=C\c4ccccc4,0.0
72433,CO-ADD:0162735,-5.29,C(=O)(Nc(cccc1C(=O)N\N=C\c2cccc(OC)c2O)c1)c3ccccc3F,0.0
72434,CO-ADD:0163879,-5.29,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)N\N=C(/C)\c3ccc(cc3)I,0.0
72435,CO-ADD:0160255,-5.29,[O-][N+](C(C=C1[N+]([O-])=O)=C(C=C1)N/N=C(CC(C)OC)/C2=CCCCC2)=O,0.0
72436,CO-ADD:0160489,-5.29,O=C1C(C(C2=C1C=CC=C2)=N3)=NC4=C3C=CC=C4,0.0
72437,CO-ADD:0159833,-5.29,FC1(F)C(C(NC2=NC=CC=N2)=O)(F)C(C(F)(F)C(F)(F)C1(F)F)(F)F,0.0
72438,CO-ADD:0159781,-5.29,O=C(C1=CC=CC=C1)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3,0.0
72439,CO-ADD:0160224,-5.29,O=C(C)C1=CC(CN2CCCCC2)=C(OCC)C=C1.Cl,0.0
72440,CO-ADD:0160329,-5.29,O=C(C1=C2[N+]([O-])=O)N(C(C=C3)=CC=C3C(N(C4=CC=CC=C4C)C5=CC=C6C=CC=CC6=C5)=O)C(C1=CC=C2)=O,0.0
72441,CO-ADD:0160324,-5.29,O=CC1=CC2=C(C(C)=C1)N(C)C3=C2C=CC=C3,0.0
72442,CO-ADD:0160115,-5.29,O=C(N/N=C\C(C=CC=C1)=C1O)CSC2=NC(C=CC=C3)=C3O2,0.0
72443,CO-ADD:0159959,-5.29,COC1=CC(OC)=CC=C1/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCCCC4)=N2,0.0
72444,CO-ADD:0159975,-5.29,CC(C=C(C(C=C1)=CC(C)=C1/N=C/C2=CC=CO2)C=C3)=C3/N=C/C4=CC=CO4,0.0
72445,CO-ADD:0161562,-5.29,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc2ccccc2)=O,0.0
72446,CO-ADD:0155803,-5.29,O=C(NCCCCCCCC)OCC1C2=C(C3=C1C=CC=C3)C=CC=C2,0.0
72447,CO-ADD:0156075,-5.29,O=S(N=C1OC2=CC=C(C=C2)C(OC)=O)(C3=C1C=CC([N+]([O-])=O)=C3)=O,0.0
72448,CO-ADD:0156083,-5.29,O=C(C(C1=CC=CC=C1)(O)C2=CC=CC=C2)N/N=C/C3=CC=C(N(C)C)O3,0.0
72449,CO-ADD:0155587,-5.3,CC1=CC=C(C=C1)N(C(C2=CC=C(C3=CC=CC=C3)C=C2)=CS/4)C4=N/C5=CC=C(C)C=C5,0.0
72450,CO-ADD:0158783,-5.3,O=C(C1=C2C=CC=C1)C(C(NC(C3=CC=CC=C3O)=O)=CC=C4)=C4C2=O,0.0
72451,CO-ADD:0155816,-5.3,O=S(NC(C=CC=C1)=C1OC)(C2=CC=CC(S(NC3=CC=CC=C3OC)(=O)=O)=C2)=O,0.0
72452,CO-ADD:0162484,-5.3,c1(c(c2ccccc2)csc1NC(C)=O)C(=O)N3CCCCCC3,0.0
72453,CO-ADD:0154351,-5.3,C#CCN(C(C(C#N)=C1C2=CC=CC=C2)=NC(NCC3CCN(CC4=CC=CC=C4)CC3)=C1C#N)C,0.0
72454,CO-ADD:0154354,-5.3,NC(C(C#N)=C1C2=CC=CC=C2)=NC(N(C)C)=C1C#N,0.0
72455,CO-ADD:0154448,-5.3,[H]N(C(C1=CC=CO1)=O)/N=C/C2=CNC3=C2C=CC=C3,0.0
72456,CO-ADD:0154451,-5.3,[H]NNC(CC1=CNC2=C1C=CC=C2)=O,0.0
72457,CO-ADD:0162469,-5.3,c1(C(NCCCNc(cc2)c(Cl)cc2[N+](=O)[O-])=O)cc(F)c(cc1Cl)F,0.0
72458,CO-ADD:0163866,-5.3,S(=O)(=O)(c1ccc(cc1)C)NCC(=O)NCC(=O)N\N=C\c(cccc2[N+](=O)[O-])c2,0.0
72459,CO-ADD:0163154,-5.3,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)NCC3CCCO3,0.0
72460,CO-ADD:0163406,-5.3,C(C(=O)N\N=C\c(c(OC)cc(c1[N+](=O)[O-])OC)c1)(C2)=NNC2(c3ccccc3)c4ccccc4,0.0
72461,CO-ADD:0163150,-5.3,N(c1c(CC)cccc1CC)C(=O)C(NCCc2ccccc2)=O,0.0
72462,CO-ADD:0161918,-5.3,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c4ccccc4,0.0
72463,CO-ADD:0159834,-5.3,FC1(F)C(C(NC2=CN=CC=C2)=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)1F,0.0
72464,CO-ADD:0160640,-5.3,ClC1=CC(NC2=NC(C(C=C3)=CC=C3Cl)=C(C)S2)=CC=C1,0.0
72465,CO-ADD:0160633,-5.3,O=C(NC1=C/2C=CC=C1)C2=N\NC(C3=CC=CC(C)=C3OC)=O,0.0
72466,CO-ADD:0160673,-5.3,O=C(N/N=C/C1=C(O)C=CC2=CC=CC=C12)C(C3)C3C4=CC=CC=C4,0.0
72467,CO-ADD:0160018,-5.3,[O-][N+](C(C=C1)=CC=C1/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N(CC)CC)=N2)=O,0.0
72468,CO-ADD:0159826,-5.3,BrC1=CC=CC(N(C(C(C=C2)=CC=C2Cl)C3)N=C3C4=CC=C(OC)C=C4)=C1,0.0
72469,CO-ADD:0156013,-5.3,[O-][N+](C1=C(C)C=CC(C2=CC=C(/C=N/C3=CC(O)=C(C=C3)C4=NC5=CC(C)=CC=C5O4)O2)=C1)=O,0.0
72470,CO-ADD:0160235,-5.3,[O-][N+](C1=C(NC(C=C2)=CC=C2NC(C)=O)N=C(NC3=CC=C(N(C)C)C=C3)N=C1C)=O,0.0
72471,CO-ADD:0161578,-5.31,C(COc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
72472,CO-ADD:0161320,-5.31,C(C#N)(=C(N)SC(=C1C#N)N)C1c2cc(Br)ccc2F,0.0
72473,CO-ADD:0161476,-5.31,c12c(C(NC=N1)=O)c3c(CCCC3)s2,0.0
72474,CO-ADD:0161500,-5.31,N1(c2cccc(N)c2)C(=O)c3c(cc(cc3)Oc4cccc(N)c4)C1=O,0.0
72475,CO-ADD:0158722,-5.31,O=C(C1=CC=CC(C)=C1)N(CC2)C(C3=CC=C(Cl)C=C3)C4=C2C(C=CC=C5)=C5N4,0.0
72476,CO-ADD:0156289,-5.31,O=C(CC1=CC=CC=C1)N/N=C/C2=CC(OC)=C(OC)C(OC)=C2,0.0
72477,CO-ADD:0155577,-5.31,O=C(N/C(S/1)=N\N=C\C2=CC=CC=C2)C1=C\C3=C(O)C=C(O)C=C3C,0.0
72478,CO-ADD:0156295,-5.31,[O-][N+](C1=CC(/C=N/NC2=NN=C(C)N2N)=CC=C1Br)=O.Cl,0.0
72479,CO-ADD:0155839,-5.31,S=C(OC1=CC=C(C=C1)C(NC2=CC=C(C(C)=C2)C)=O)NC3=CC=CC=C3F,0.0
72480,CO-ADD:0158715,-5.31,O=C(NC1=CC=C(OC)C=C1)C2=C(N)C(C(C(F)(F)F)=CC(C3=CC=CS3)=N4)=C4S2,0.0
72481,CO-ADD:0154398,-5.31,O=C(N/N=C/C1=CC(Cl)=CC=C1)C2=CC3=CC=CC=C3N2,0.0
72482,CO-ADD:0154301,-5.31,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC(Cl)=C(Cl)C=C4)C#N,0.0
72483,CO-ADD:0162496,-5.31,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(ccc(c2Cl)Cl)c2)c3ccc(cc3Cl)Cl,0.0
72484,CO-ADD:0154309,-5.31,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC=C(C)C=C4)C#N,0.0
72485,CO-ADD:0154310,-5.31,NC1=C2C(CCCC2)=NC3=C1C(C4=CC(OC)=C(O)C=C4)C5=C(O3)C6=C(C=CC=C6)C=C5.Cl,0.0
72486,CO-ADD:0161655,-5.31,C(CNc1ccccc1)(=O)N\N=C\c2cccc(Br)c2,0.0
72487,CO-ADD:0161703,-5.31,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(ccc2c3cc(Cl)ccc3Cl)o2,0.0
72488,CO-ADD:0161941,-5.31,[N+](=O)([O-])c(cc1Cl)cc(c1NC(=O)c2ccc(cc2)NC(C)=O)Cl,0.0
72489,CO-ADD:0161677,-5.31,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\C=C\c4ccccc4,0.0
72490,CO-ADD:0161714,-5.31,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccccc3Cl)OCC,0.0
72491,CO-ADD:0161722,-5.32,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\c2cccc(O)c2,0.0
72492,CO-ADD:0158551,-5.32,O=C(N/N=C/C(C=CC=C1)=C1O)CN2N=NC3=C2C=CC=C3,0.0
72493,CO-ADD:0155427,-5.32,O=C(C(NCCC1=CC=CC=C1)=O)NC(C)C2=CC=CC=C2,0.0
72494,CO-ADD:0155424,-5.32,O=C(C1=C2C=CC(OC3=CC=C(C=C3)C(O)=O)=C1)N(C4=CC(C)=C(C)C=C4)C2=O,0.0
72495,CO-ADD:0155791,-5.32,ClC1=CC(N(C(C2=CC=C(OC)C=C2)C3)N=C3C(C=C4)=CC=C4OC)=CC=C1,0.0
72496,CO-ADD:0155799,-5.32,O=C(C(C1)C1C2=CC=CC=C2)N(CC3)C4=C3C=CC=C4,0.0
72497,CO-ADD:0155956,-5.32,CC1=C(C2=CC=CC=C2C=C1)CSC3=NC(C4=CC=CC=C4)=CN3,0.0
72498,CO-ADD:0159871,-5.32,CC1=CC=C(C=C1)NC2=NC3=NSN=C3N=C2NC(C=C4)=CC=C4C,0.0
72499,CO-ADD:0161089,-5.32,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNC(=O)c2ccco2)=O,0.0
72500,CO-ADD:0161473,-5.32,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3Cl,0.0
72501,CO-ADD:0161105,-5.32,C(=O)(NCC(=O)N\N=C\c1ccc(cc1Cl)Cl)c2ccco2,0.0
72503,CO-ADD:0160064,-5.32,OC1=C(C=CC=C1)/C=N/NC2=NC(N3CCOCC3)=NC(NC4=CC=C5C=CC=CC5=C4)=N2,0.0
72504,CO-ADD:0155820,-5.32,S=C(N/N=C/C1=C(O)N(C2=CC=CC=C2)N=C1C)C3=CC=CC=C3O,0.0
72505,CO-ADD:0155844,-5.32,S=C(OC1=CC=C(C=C1)C(NC2=CC=CC3=C2C=CC=C3)=O)N(C4CCCCC4)C5CCCCC5,0.0
72506,CO-ADD:0158744,-5.32,[O-][N+](C1=CC(OC)=C(O)C(/C=N/C2=CC(N=C(C(C=C3)=CC=C3C)O4)=C4C=C2)=C1)=O,0.0
72507,CO-ADD:0155652,-5.32,O=C(C1=CC=CC=C21)N(C(C=C3)=CC=C3C(OCCCCCCCCCC)=O)C2=O,0.0
72508,CO-ADD:0155649,-5.32,N#CC1(C#N)[C@@]2([H])N([C@@H](C(C3=CC=C(C)C=C3)=O)[C@@H]1C4=CC=C(OCC)C=C4)C=CC5=C2C=CC=C5,0.0
72509,CO-ADD:0155599,-5.32,[O-][N+](C1=C(OC)C=CC(C(NCC2=CC=CC3=C2C=CC=C3)=O)=C1)=O,0.0
72510,CO-ADD:0154468,-5.32,O=C(C1=CC2=CC=CC=C2N1)O,0.0
72511,CO-ADD:0154473,-5.32,O=C([H])C1=CNC2=CC=CC=C21,0.0
72512,CO-ADD:0154533,-5.32,N#CC(C#N)=CC1=CC([N+]([O-])=O)=CC=C1,0.0
72513,CO-ADD:0154386,-5.32,O=C(NNC(C)CCC)C1=CC2=CC=CC=C2N1,0.0
72514,CO-ADD:0154387,-5.33,O=C(NNCCCC)C1=CC2=CC=CC=C2N1,0.0
72515,CO-ADD:0161217,-5.33,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c(cccn2)c2,0.0
72516,CO-ADD:0161728,-5.33,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc(cc3)ccc3C)=O,0.0
72517,CO-ADD:0161888,-5.33,C(COc(cc1)ccc1Cl)(=O)N\N=C\c2ccccc2OCC=C,0.0
72518,CO-ADD:0161705,-5.33,C(c(cc1)ccn1)(=O)N\N=C\c(ccc(c2Cl)OC)c2,0.0
72519,CO-ADD:0161939,-5.33,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
72520,CO-ADD:0161699,-5.33,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c4cccc(I)c4,0.0
72521,CO-ADD:0161995,-5.33,c1(SCc2cscn2)[nH]c(c3n1)cccc3,0.0
72522,CO-ADD:0156279,-5.33,CN1CCN(CC1)C2=NC(C3=CC=CC=C3)=NC4=C2OC5=C4C=CC=C5,0.0
72523,CO-ADD:0158616,-5.33,O=C(C1=C2C=CC(C(O)=O)=C1)N(C(C=C3)=CC=C3C(OCCC(C)C)=O)C2=O,0.0
72524,CO-ADD:0155476,-5.33,O=C(N(C1=CC=C(C)C=C1)N=C/2C)C2=C/NC3=CC=C(C(N/C=C4C(N(N=C\4C)C5=CC=C(C)C=C5)=O)=C3)O,0.0
72525,CO-ADD:0154761,-5.33,OCCCNC1=NC2=NON=C2N=C1NC3=CC=CC=C3,0.0
72526,CO-ADD:0156486,-5.33,O=S(C1=CC(C(OC2=CC(NC(C3=CC=CO3)=O)=CC=C2)=O)=C(Cl)C=C1Cl)(N4CCOCC4)=O,0.0
72527,CO-ADD:0160080,-5.33,S=C(NC(C=C1)=CC=C1OCCCCC)NC2=CC=C(C=C2)C3=CC=CC=C3,0.0
72528,CO-ADD:0160481,-5.33,O=C(C1=CC=CC=C1)NC2=C(C=CC=C2)C(OCC(C3=CC=C(Br)C=C3)=O)=O,0.0
72529,CO-ADD:0160346,-5.33,N#CC1=C(N)OC2=CC(O)=C(/C=N/C3=CC=C(OC)C=C3)C=C2C1C4=CC=CO4,0.0
72530,CO-ADD:0160474,-5.33,[O-][N+](C1=C(N)C(C(N(CCO)CCO)=O)=CC([N+]([O-])=O)=C1)=O,0.0
72531,CO-ADD:0160482,-5.33,O=C1C(C(C2=C(Cl)C=C(Cl)C=C2)C(C3=O)C(CC(C)(C)C3)=O)=C(O)CC(C)(C)C1,0.0
72532,CO-ADD:0155786,-5.34,O=C(NNC(CCCCC(NNC(C(C1)C1C2=CC=CC=C2)=O)=O)=O)C(C3)C3C4=CC=CC=C4,0.0
72533,CO-ADD:0156306,-5.34,O=C(COC1=C(Br)C=C(OC)C=C1)N/N=C/C2=CC=C(OCC=C)C=C2,0.0
72534,CO-ADD:0155578,-5.34,[O-][N+](C1=CC=C(C(Cl)=C1)N2CC(NC(C)C2)C)=O,0.0
72535,CO-ADD:0155880,-5.34,O=C(C1=C2C=CC=C1)N([C@@H](C3)[C@@H](CO4)O[C@@H]4C3=O)S2(=O)=O,0.0
72536,CO-ADD:0155168,-5.34,O=C(N/N=C/C1=C(O)C=CC2=CC=CC=C12)C3=C(C)N=C(N)S3,0.0
72537,CO-ADD:0154469,-5.34,CN1C2=CC=CC=C2C=C1C(O)=O,0.0
72538,CO-ADD:0161245,-5.34,C(O)(c1ccccc1)(c2ccccc2)C3CCCN3CCCC.Cl,0.0
72539,CO-ADD:0163014,-5.34,c1(O)c(OCC)cc(cc1I)\C=N\NC(=O)C(O)c2ccccc2,0.0
72540,CO-ADD:0161162,-5.34,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc(Br)cc2I)c2O)=C\c3cccs3,0.0
72541,CO-ADD:0162986,-5.34,C1(C(c2ccccc2Cl)C3=C(C)N(N(c4ccccc4)C3=O)C)=C(C)N(N(c5ccccc5)C1=O)C,0.0
72542,CO-ADD:0161797,-5.34,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C\c(cc2)ccc2N(C)C,0.0
72543,CO-ADD:0156366,-5.34,O=S1(N=C(C2=CC=CC=C21)NC(C(C)=C3)=CC=C3Cl)=O,0.0
72544,CO-ADD:0156374,-5.34,O=C(C)N(C1(CCCC1)O2)N=C2C3=CC=C(C)C=C3,0.0
72545,CO-ADD:0154884,-5.34,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C3=CC=CS3,0.0
72546,CO-ADD:0154898,-5.34,CC1=C(C)C=C[N+](CCC2=CC=CC=C2)=C1.[Br-],0.0
72547,CO-ADD:0154808,-5.34,NC1=NC=NC2=C1N=C(N3CCOCC3)N2,0.0
72548,CO-ADD:0159989,-5.34,O=C(OC1=CC=CC=C1Cl)C(C(Br)=C2)=C(Br)C=C2C3=CC(Br)=C(C(OC4=CC=CC=C4Cl)=O)C(Br)=C3,0.0
72549,CO-ADD:0160302,-5.34,CC1=CC=C(C=C1)NC2=NC3=NON=C3N=C2NC4=CC(C)=CC=C4,0.0
72550,CO-ADD:0160449,-5.34,[O-][N+](C1=C(Cl)C=C(Cl)C(/C=C2C(N/C(S\2)=N/N=C/C3=CC(I)=CC(I)=C3O)=O)=C1)=O,0.0
72551,CO-ADD:0160284,-5.34,ClC1=C(OC)C=CC(/C=N/C2=CC(N=C(C(C=C3)=CC=C3C)O4)=C4C=C2)=C1,0.0
72552,CO-ADD:0160125,-5.34,[O-][N+](C1=C(C=CC=C1)C2=CC=C(/C=C3C(N4C(S/3)=NC5=CC=CC=C45)=O)O2)=O,0.0
72553,CO-ADD:0161604,-5.34,[N+](=O)([O-])c1cccc(c1C)\N=C\c(c2)c(O)c(cc2[N+](=O)[O-])Br,0.0
72554,CO-ADD:0156524,-5.35,O=C(N/N=C(C)/CC(NC1=C(OC)C=CC(C)=C1)=O)C(NC2CCCCC2)=O,0.0
72555,CO-ADD:0155116,-5.35,N#CC(C(C1=CSC=C1)C(C(OCC)=O)=C(C2=CC=CC=C2)O3)=C3N.C(=O)O,0.0
72556,CO-ADD:0155915,-5.35,FC(OC(F)1F)(C(F)(F)C(NC2=CC=C(C=C2)C(NC(C)C)=O)=O)C(F)(F)C1(F)F,0.0
72557,CO-ADD:0155923,-5.35,O=C(N1C2=CC=CC=C2)C(C3(C(NC4=C3C=C(Br)C=C4Br)=O)C(C(N5C6=CC=CC=C6)=O)=C(C)N5C)=C(C)N1C,0.0
72558,CO-ADD:0155659,-5.35,C1(C2=CC(OCO3)=C3C=C2)=NC4=C(C(C=CC=C5)=C5C=C4)C6=C1CCC6,0.0
72559,CO-ADD:0154793,-5.35,[O-][N+](CC(C1=C2C=CC=C1)=NNC2=O)=O,0.0
72560,CO-ADD:0161374,-5.35,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCc3c(cccc3Cl)F)c4cccs4,0.0
72561,CO-ADD:0161390,-5.35,N1(c2ccccc2C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4[N+](=O)[O-],0.0
72562,CO-ADD:0162108,-5.35,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)NC2CCCC2,0.0
72563,CO-ADD:0162744,-5.35,c1(ccccc1Br)C(=O)N\N=C\c2cccc(Cl)c2,0.0
72564,CO-ADD:0162752,-5.35,C(=O)(Nc(cc1)ccc1OC)C(NCCc(ccc(c2OC)OC)c2)=O,0.0
72565,CO-ADD:0162792,-5.35,C(=O)(C\C(\C)=N/NC(=O)c1ccc(cc1)I)Nc2ccccc2CC,0.0
72566,CO-ADD:0140015,-5.35,CC(C1=CC=C(C2=CC=CC=C2NC3=CC=CC=C3)C=C1)=O,0.0
72567,CO-ADD:0154756,-5.35,NC1=NN(C(C(F)(F)F)=CC(C2=CC=CC=C2)=N3)C3=N1,0.0
72568,CO-ADD:0154764,-5.35,[O-][N+](C(C=C1)=CC=C1C(C[N+]2=CC=CC(C(N)=O)=C2)=O)=O.Br,0.0
72569,CO-ADD:0158589,-5.35,O=C(COC1=C(Br)C=C(C)C=C1)N/N=C/C2=CC=C(C=C2)OCC3=CC=CC=C3,0.0
72570,CO-ADD:0158538,-5.36,O=C(N/N=C/C1=CC(Br)=CC=C1)CN2N=NC3=C2C=CC=C3,0.0
72571,CO-ADD:0155430,-5.36,ClC1=CC(C2=CSC(NC3=CC=CC(C)=C3)=N2)=CC=C1Cl,0.0
72572,CO-ADD:0161501,-5.36,c1(O)c(cc(cc1C(C)(C)C)CCC(=O)N\N=C(/c2ccccc2)\c3ccccc3)C(C)(C)C,0.0
72573,CO-ADD:0155984,-5.36,C1(C(C2=CC=CC=C2)(CCC3)N3CC4)=C4C5=C(C=CC=C5)N1CC6=CC=CC=C6.Cl,0.0
72574,CO-ADD:0156000,-5.36,O=C(N1C2=CC=CC=C2)C(/N=C/C3=CC=C(O3)SC4=NC(C=C5)=C(C=C5[N+]([O-])=O)S4)=C(C)N1C,0.0
72575,CO-ADD:0161090,-5.36,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNC(=O)c2ccco2)=O,0.0
72576,CO-ADD:0161482,-5.36,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C\c2ccc(C)o2,0.0
72577,CO-ADD:0161573,-5.36,c1(\C=N\NC(COc(cc2)ccc2Cl)=O)cc(OC)ccc1O,0.0
72578,CO-ADD:0155921,-5.36,O=C(NC1=NC=C(Br)C=C1)C2(C[C@@H]3C4)C[C@@H]4C[C@@H](C3)C2,0.0
72579,CO-ADD:0156137,-5.36,O=C(OCCNC(C1=CC=CC=C1)=O)C2=CC(OC)=C(OC)C(OC)=C2,0.0
72580,CO-ADD:0155753,-5.36,O=C(C1=CC=CC2=CC=CC=C12)NC3=CC=C(C=C3)C(NC4=C(Cl)C=C(C=C4)C5=NC(C=C6)=C(C(Cl)=C6NC(C(C=C7)=CC=C7NC(C8=CC=CC9=CC=CC=C89)=O)=O)N5)=O,0.0
72581,CO-ADD:0155145,-5.36,[O-][N+](C1=C(/C=C/C(C=C2)=CC=C2/C=N/C3=CC(C)=CC=C3C)NC(N=C1O)=O)=O,0.0
72582,CO-ADD:0154981,-5.36,N#CC1=C(N)OC(CC(C)(C)C2)=C(C2=O)[C@H]1C(C=C3)=CC=C3OC(C)=O,0.0
72583,CO-ADD:0162114,-5.36,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)O,0.0
72584,CO-ADD:0162746,-5.36,C(C(c1ccccc1)=O)(C2c3ccccc3Cl)=C(c4ccccc4)OC(N)=C2C#N,0.0
72585,CO-ADD:0162794,-5.36,C(=O)(C\C(\C)=N/NC(=O)c1ccc(cc1)O)Nc2ccccc2CC,0.0
72586,CO-ADD:0162375,-5.36,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c4ccc(cc4Cl)Cl,0.0
72587,CO-ADD:0162407,-5.36,n1(\N=C\c(c(O)ccc2[N+](=O)[O-])c2)c(CCl)nnc1CCl,0.0
72588,CO-ADD:0162144,-5.36,c1(OC)cc(CCNCCC(c2ccccc2)c3ccccc3)ccc1OC.Cl,0.0
72589,CO-ADD:0158619,-5.36,[O-][N+](C(C=C1)=CC=C1C(COC(C2=CC(C(C)(C)C)=CC(C(C)(C)C)=C2)=O)=O)=O,0.0
72590,CO-ADD:0155503,-5.37,S=C(S/1)N(CNC2=CC=C(C(Cl)=C2)Cl)C(C1=C\C(C(Cl)=C3)=CC=C3Cl)=O,0.0
72591,CO-ADD:0155381,-5.37,[O-][N+](C(C=C1)=CC=C1NC(C(C=C2)=CC=C2NC(C)=O)=O)=O,0.0
72592,CO-ADD:0155413,-5.37,ClC1=C(Cl)C=CC(C2=CSC(NC3=CC=C(Cl)C=C3)=N2)=C1,0.0
72593,CO-ADD:0158534,-5.37,[O-][N+](C1=CC(/C=N/NC(CN2N=NC3=C2C=CC=C3)=O)=CC=C1)=O,0.0
72594,CO-ADD:0158558,-5.37,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C(C(O)=C(Br)C(O)=C2Br)=C2C,0.0
72595,CO-ADD:0160642,-5.37,[O-]S(C(C=C1)=CC=C1N/N=C/C2=NC=CC=C2)(=O)=O.[K+],0.0
72596,CO-ADD:0158595,-5.37,O=S(N1CCOCC1)(C2=CC=C(C(C(NC3=CC=C(I)C=C3)=O)=C2)Cl)=O,0.0
72597,CO-ADD:0158544,-5.37,O=C(NCC1=CC=CO1)C2=CC=CS2,0.0
72598,CO-ADD:0158560,-5.37,[O-][N+](C1=CC(Br)=C(O)C(/C=N/NC(COC(C(Br)=C2)=CC=C2Cl)=O)=C1)=O,0.0
72599,CO-ADD:0155485,-5.37,[O-][N+](C(C=C1)=CC=C1NC(N=C(NC2=CC(C)=C(C)C=C2)N/3)=NC3=N\N)=O,0.0
72600,CO-ADD:0158649,-5.37,O=C(N1CCN(C2=CC=CC=C2)CC1)C3=C(C)C(C=C4OCC5=CC=CC=C5)=C(C=C4)N3,0.0
72601,CO-ADD:0155749,-5.37,O=C1N(C(C=C2)=CC=C2Br)C(C(C=C3)=CC=C3C(OC)=O)SC1,0.0
72602,CO-ADD:0155117,-5.37,N#CC1=C(N)OC(C)=C(C(OC)=O)C1C2=CSC=C2,0.0
72603,CO-ADD:0155269,-5.37,O=C(NCN(CC(NCC(O)=O)=O)CNC(C1[C@@H](C2)C[C@@H]3C[C@H]1C[C@H]2C3)=O)C4[C@H]5C[C@H](C6)C[C@@H]4C[C@H]6C5,0.0
72604,CO-ADD:0155461,-5.37,OC(C(OC)=CC=C1)=C1/C=N/NC2=NC(N3CCOCC3)=NC(NC)=N2,0.0
72605,CO-ADD:0154982,-5.37,N#CC1=C(N)OC(NN=C2C)=C2C1C(C=C3)=CC=C3OC(C)=O,0.0
72606,CO-ADD:0162924,-5.37,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(NCCC)=O,0.0
72607,CO-ADD:0161716,-5.37,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\C=C\c3ccc(C)o3,0.0
72608,CO-ADD:0161897,-5.37,N1(CNc2cccc(Cl)c2)C(=O)\C(\SC1=S)=C/c(cc3)ccc3C(C)C,0.0
72609,CO-ADD:0161913,-5.37,c1(N(CC)CC)nc(N\N=C\c(ccc(c23)OCO2)c3)nc(Nc4cc(C)ccc4C)n1,0.0
72610,CO-ADD:0162758,-5.37,C(CSc1ccccc1C)(=O)N\N=C\c(cc2)ccc2Br,0.0
72611,CO-ADD:0162906,-5.37,N(=C(/C)\c1ccc(c(OC)c1)OC)/NC(=O)c2ccc(cc2)OC,0.0
72612,CO-ADD:0155473,-5.37,N#CC1=C(C)C(C=NC2=CC=CC(Br)=C2)=C(O)N3C1=NC4=C3C=CC=C4,0.0
72613,CO-ADD:0158549,-5.37,O=C(N/N=C/C1=CC=CC=C1O)C(C=CC=C2)=C2/N=C/C3=CC=CC=C3O,0.0
72614,CO-ADD:0156063,-5.38,FC1=C(C=CC=C1)/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=CC(C)=C4,0.0
72615,CO-ADD:0156487,-5.38,O=S(N1CCOCC1)(C2=CC(C(OC3=C(C=C(C)C=C3)N4N=C5C=CC=CC5=N4)=O)=CC=C2)=O,0.0
72616,CO-ADD:0156511,-5.38,O=C(CCCCCCC(NC1=C(Cl)C=C(Cl)C=C1Cl)=O)NC(C(Cl)=C2)=C(Cl)C=C2Cl,0.0
72617,CO-ADD:0156419,-5.38,CC1=C(C)C=CC(/N=C/C2=CC=C(SC3=NC=CC=C3)O2)=C1,0.0
72618,CO-ADD:0155658,-5.38,O=C(CCCCCCC)N/N=C/C1=C(C=CC=C2)C2=CC3=C1C=CC=C3,0.0
72619,CO-ADD:0155370,-5.38,O=C(C1=CC=CC=C1C(O)=O)OC2=C(C(C=CC=C3)=C3C=C2)/C=N/C4=C(C(OCC)=O)C(CCCC5)=C5S4,0.0
72620,CO-ADD:0155883,-5.38,[O-][N+](C1=NN2[C@H]([C@@H]3O[C@H]4OC3)C[C@@]4(O)NC2=N1)=O,0.0
72621,CO-ADD:0155158,-5.38,BrC1=CC(C)=CC(/C=N/C2=CC=C(C=C2)C3=NC(C=CC=C4)=C4S3)=C1O,0.0
72622,CO-ADD:0163906,-5.38,S(c1ccccc1)(=O)(=O)C(C(C)=C)Cc2cccs2,0.0
72623,CO-ADD:0163927,-5.38,c1(cccs1)C(NCCOc2ccccc2OC)=O,0.0
72624,CO-ADD:0162363,-5.38,C(F)(C(F)(F)F)(C(=O)Nc(cc1)ccc1C(=O)Nc2ccccc2C)OC(F)(F)C(F)(F)C(F)(F)F,0.0
72625,CO-ADD:0154412,-5.38,O=C(C)N/C(C(OC)=O)=CC1=CC=C(C=C1)OC,0.0
72626,CO-ADD:0161802,-5.38,c(Nc(cc1)ccc1OC)(nc(N\N=C\c2ccc(cc2O)O)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
72627,CO-ADD:0162999,-5.38,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c3ccco3,0.0
72628,CO-ADD:0161163,-5.38,c1(Br)oc(cc1Br)\C=N\NC(COc(ccc(c2C)C)c2)=O,0.0
72629,CO-ADD:0156076,-5.38,O=C1/C(N=C(C2=CC=C(F)C=C2)O1)=C\C3=CC(OC)=C(C(OC)=C3)OC,0.0
72630,CO-ADD:0154947,-5.38,N#CC([C@H](C(C=C1Cl)=CC=C1Cl)[C@H]2C(C3=CC=CC=C3)=O)(C#N)[C@]4([H])N2C5=CC=CC=C5C=C4,0.0
72631,CO-ADD:0158615,-5.38,O=S(C1=CC(C(NC2=C(C)C=CC([N+]([O-])=O)=C2)=O)=CC=C1C)(N3CCOCC3)=O,0.0
72632,CO-ADD:0163479,-5.38,c1(ccccc1O)C(=O)N\N=C\c(ccc(c2OCC(O)=O)OCC(O)=O)c2,0.0
72633,CO-ADD:0163495,-5.38,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)c(ccc(c23)OCCO2)c3,0.0
72634,CO-ADD:0163733,-5.38,C(=O)(Nc(cc1)ccc1C(N)=O)C\C(\C)=N\NC(COc2ccc(cc2C)Br)=O,0.0
72635,CO-ADD:0163394,-5.38,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
72636,CO-ADD:0163497,-5.39,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c3cccc(C)c3O,0.0
72637,CO-ADD:0163422,-5.39,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
72638,CO-ADD:0161814,-5.39,c(Nc(cc1)ccc1OC)(nc(N\N=C\c2cc(F)ccc2O)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
72639,CO-ADD:0162944,-5.39,C(=O)(N\N=C\c1c(cccc1F)Cl)C(=O)Nc2ccccc2CC,0.0
72640,CO-ADD:0162368,-5.39,c1(N(CC2)CCO2)nc(N\N=C\c3cccc(I)c3)nc(Nc(cccc4[N+](=O)[O-])c4)n1,0.0
72641,CO-ADD:0162392,-5.39,c1(\C=N\NC(=O)C(C)Oc(cc2)ccc2OCc3ccccc3)c(cccc1Cl)Cl,0.0
72642,CO-ADD:0162893,-5.39,N(/c(cc1)ccc1Br)=C\c(cc2)ccc2OCc(cc3)ccc3F,0.0
72643,CO-ADD:0162374,-5.39,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2OCC)cc(c2O)I,0.0
72644,CO-ADD:0137866,-5.39,O=C(NC1=C2C(C)=NN1C(N3)=NC4=C3C=CC=C4)CC2C5=CC=C(OCC6=CC=C(F)C=C6)C=C5,0.0
72649,CO-ADD:0163430,-5.39,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(COc2ccc(cc2Br)Cl)=O,0.0
72650,CO-ADD:0163918,-5.39,S(c1ccccc1)(=O)(=O)N(CC(NCCOc2ccccc2)=O)c3c(C)ccc(Cl)c3,0.0
72651,CO-ADD:0163947,-5.39,[N+](=O)([O-])c1ccccc1C(=O)Nc2c(C)ccc(Cl)c2,0.0
72652,CO-ADD:0163460,-5.4,N(=C(/C)\c1ccc(cc1)OC)/NC(=O)c(ccc(c23)OCCO2)c3,0.0
72653,CO-ADD:0163716,-5.4,C(=O)(N\N=C\c1cc(OC)ccc1OC)C(=O)Nc2ccc(cc2C)Cl,0.0
72654,CO-ADD:0163724,-5.4,C(Oc(cccc1C(=O)Nc(ccc(c23)cccc2)c3)c1)(=S)Nc4cccc(C)c4C,0.0
72655,CO-ADD:0161188,-5.4,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cc2)ccc2c3nccc(c(cc4)ccc4NC(=O)c(cc5)ccc5[N+](=O)[O-])n3,0.0
72656,CO-ADD:0161191,-5.4,S(=O)(=O)(c1cccc2c1cccc2S(=O)(=O)Nc3cncc(cccc4)c34)Nc5cncc(cccc6)c56,0.0
72657,CO-ADD:0161223,-5.4,N1(c2ccc(c(C)c2)C)C(=O)c(c3C1=O)ccc(C(=O)c(cccc4[N+](=O)[O-])c4)c3,0.0
72658,CO-ADD:0161799,-5.4,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(c2c([nH]3)cccc2)c3)nc4Nc(cc5)ccc5OC)n4,0.0
72659,CO-ADD:0161384,-5.4,c1(CN(CC2)CCN2C)c3c(oc1C(OCC)=O)cccc3.Cl.Cl,0.0
72660,CO-ADD:0161740,-5.4,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\C(\C)=C\c(ccc(c2OC)OC)c2,0.0
72661,CO-ADD:0244305,-5.4,c1(C(OCC)=O)c(cc(O)cc2)c2n(c3ccc(cc3)C)c1C,0.0
72662,CO-ADD:0244271,-5.4,C(=O)(C(=O)NCc(cc1)ccc1C)Nc2ccc(cc2C)I,0.0
72663,CO-ADD:0244259,-5.4,[N+](=O)([O-])c1ccccc1C(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccccc3Cl,0.0
72664,CO-ADD:0242947,-5.41,C1(C(N)=O)=C2C(=CNC1=O)CCCC2,0.0
72665,CO-ADD:0242782,-5.41,N(C(CSCC(=O)Nc(ccc(c12)cccc1)c2)=O)c3ccccc3OC(C)C,0.0
72666,CO-ADD:0244850,-5.41,C(N(c(c1)cccc1)C(=O)N2C)(C2N3)N=C4N3C(=O)\C(=C\c(ccc([N+](=O)[O-])c5)c5)\S4,0.0
72667,CO-ADD:0244813,-5.41,n1(nnc(C(=O)N\N=C\c(cc2)ccc2OCC)c1CN3CCCCC3)c4nonc4N,0.0
72668,CO-ADD:0245497,-5.41,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c3ccccc3,0.0
72669,CO-ADD:0245598,-5.41,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Cl)n1,0.0
72670,CO-ADD:0245682,-5.41,c1(CC(=O)Nc(cc2)ccc2C)n(C)c3c(cc(cc3)OC)c1Sc4ccccc4,0.0
72671,CO-ADD:0241722,-5.41,C(O1)(\C(\C2)=C\c3cccc(Br)c3)=C(CN2Cc4ccccc4)C(C(C#N)=C1N)c5cccc(Br)c5,0.0
72672,CO-ADD:0246062,-5.41,N1=C(SCC(=O)Nc2ccccn2)NC(C(c3ccccc3)C1=O)=O,0.0
72673,CO-ADD:0241098,-5.41,c1(ccc(cc1OC)SC)C(=O)Nc(ccc(c23)c4c(cccc4)o2)c3,0.0
72674,CO-ADD:0244326,-5.41,c1(cc(c2ccccc2)c3c(ccc(Cl)c3)n1)N(C(C)=O)\N=C\c(ccc4[N+](=O)[O-])o4,0.0
72675,CO-ADD:0241175,-5.41,N1=C(c(cccc2[N+](=O)[O-])c2)OC(=O)c(cc(Br)cc3Br)c13,0.0
72676,CO-ADD:0240250,-5.41,[n+]1([O-])onc2c1CCCNC2=O,0.0
72677,CO-ADD:0242604,-5.42,C(NC(CC(C)C)=O)(Nc1ccc(cc1F)F)(C(F)(F)F)C(F)(F)F,0.0
72678,CO-ADD:0240866,-5.42,c1(C(=O)NNC(=O)c2cccc(c2C(=O)[O-])[N+](=O)[O-])sc(nc1C)C,0.0
72679,CO-ADD:0240478,-5.42,c1(SCC(=O)Nc(ccc(c2Cl)F)c2)sc(c3n1)cccc3,0.0
72680,CO-ADD:0245595,-5.42,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C/c(cc6)ccc6[N+](=O)[O-])n1,0.0
72681,CO-ADD:0241353,-5.42,S(=O)(=O)(N(CC1)CCO1)c(c(C)ccc2S(=O)(=O)c(ccc(c3S(=O)(=O)N(CC4)CCO4)C)c3)c2,0.0
72682,CO-ADD:0240969,-5.42,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc2cccc(Cl)c2C,0.0
72683,CO-ADD:0240361,-5.42,C1=C(c2ccccc2)CNC(C)(C)C1=O.Cl,0.0
72684,CO-ADD:0240432,-5.42,n(c1C)(nnc1C(=O)N\N=C(/C)\c2ccc(cc2F)F)c3nonc3N,0.0
72685,CO-ADD:0242761,-5.42,c1(sc2c(ccc(C)c2)n1)NC(=O)c3cccc(Br)c3,0.0
72686,CO-ADD:0242755,-5.42,C(F)(F)(C(=O)C1=C(CCC1)NNC(=O)c(cc2)ccc2[N+](=O)[O-])C(F)(F)C(F)(F)F,0.0
72687,CO-ADD:0242718,-5.42,n1c2c([nH]c1c(cc3)ccn3)ccc(c2)\N=C\c(ccc(c4OC)OC)c4,0.0
72688,CO-ADD:0242746,-5.42,N1C(=O)C(SC1=N)CC(=O)Nc2ccc(cc2C)C,0.0
72689,CO-ADD:0242709,-5.42,N12C(C=CC=C1)=Nc3c(c(ccc4)ccc3)c24.Cl,0.0
72690,CO-ADD:0244188,-5.42,C(=O)(N\N=C\c1ccc(c2n1)cccc2O)c3ccco3,0.0
72691,CO-ADD:0242200,-5.42,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
72692,CO-ADD:0241820,-5.42,c1(N(CC2)CCO2)nc(N\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])nc(Nc5ccc(cc5Br)C)n1,0.0
72693,CO-ADD:0242981,-5.42,c1(ccccc1c2ccccc2)OC(CCC(=O)OC3CCCCCCCCCCC3)=O,0.0
72694,CO-ADD:0241021,-5.42,C(=C/c(ccc(c1OC)OCc2ccccc2)c1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
72695,CO-ADD:0245088,-5.42,c1(ccc(c2c1OC)cccc2)C(=O)Nc3ccc(cn3)Cl,0.0
72696,CO-ADD:0245086,-5.42,c1(c2ccccc2[N+](=O)[O-])c(C)[nH]c(C)c1C(C)=O,0.0
72697,CO-ADD:0242467,-5.42,C12(c3c(cccc3)C(=NN1c4ccccc4)c(cc5)ccc5C(C)C)SC(=NN2c6ccc(cc6)Cl)C(C)=O,0.0
72698,CO-ADD:0242440,-5.43,C(=O)(c1ccc(cc1)OCCC(C)C)NC(c2ccccc2)CC(=O)[O-],0.0
72699,CO-ADD:0242603,-5.43,N1C(=S)NN=C1c2ccc(cc2)OCC,0.0
72700,CO-ADD:0242576,-5.43,C(F)(F)(COC(CCC(=O)Nc(cc1)ccc1I)=O)C(F)F,0.0
72701,CO-ADD:0240303,-5.43,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCSC3c(ccc(c4[N+](=O)[O-])OC)c4,0.0
72702,CO-ADD:0244733,-5.43,C(OCCCCCCCCC)(=O)NC(CC1)CCC1CC(CC2)CCC2NC(OCCCCCCCCC)=O,0.0
72703,CO-ADD:0244516,-5.43,C(=O)(c1ccccc1C)Nc(cccc2C(=O)N\N=C/CCc3ccccc3)c2,0.0
72704,CO-ADD:0241575,-5.43,n1c2c(oc1c(cc3)ccc3N(C)C)ccc(c2)\N=C\c4cc(Cl)ccc4O,0.0
72705,CO-ADD:0241596,-5.43,N1(C2c3ccccc3)C(S\C(=C\c(cc4)ccc4Br)\C1=O)NC(\C(\CCC5)=C/c6ccccc6)=C25,0.0
72706,CO-ADD:0244499,-5.43,C(NCCCCCCCC)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2OC,0.0
72707,CO-ADD:0240136,-5.43,C(C(OCC)=O)(=C1C)\C(=C\c2cccc(cccc3)c23)\C(N1c4ccccc4)=O,0.0
72708,CO-ADD:0242258,-5.43,C(=O)(N\N=C\c(cc1)ccn1)Nc2ccccc2,0.0
72709,CO-ADD:0244827,-5.43,C(C)N(C(=O)N1CC)C(C1N2)N=C3N2C(=O)\C(=C(\C4=O)/c(cc5)c(cc5)N4C(C)C)\S3,0.0
72710,CO-ADD:0244856,-5.43,C(N(CC)C(=O)N1CC)(C1N2)N=C3N2C(=O)\C(=C\c(c(F)ccc4)c4)\S3,0.0
72711,CO-ADD:0241849,-5.43,c(Nc1ccccc1)(nc(N\N=C\c(cc2)ccc2\C=N\Nc(nc(Nc3ccccc3)nc4Nc5ccccc5)n4)nc6Nc7ccccc7)n6.CC(=O)O,0.0
72712,CO-ADD:0242359,-5.43,c1(C#N)c(SCCN2CCCCCC2)nc(cc1c3ccccc3OC)c4ccccc4,0.0
72713,CO-ADD:0242407,-5.43,C(=C\c(ccc(c1OC)OCc(cc2)ccc2[N+](=O)[O-])c1)(/C(=O)NC(N3)=O)\C3=O,0.0
72714,CO-ADD:0246136,-5.43,C(=O)(c(cc1)ccc1C(=O)N(CCC)CCC)N(C2CCCCC2)C3CCCCC3,0.0
72715,CO-ADD:0245703,-5.43,N1(C(c2ccc(c(OC)c2)OC)CC(c3cccs3)=N1)c4scc(c5ccc(cc5)F)n4.Br,0.0
72716,CO-ADD:0245686,-5.43,c1(C(=O)c2ccc(cc2)C)c(C)[nH]c(C(OCC)=O)c1C,0.0
72717,CO-ADD:0244683,-5.43,C1(N(CC2)CCO2)=CC(C(C)=CC1=O)=O,0.0
72718,CO-ADD:0244447,-5.43,N#CCC(=O)N\N=C(\C)/C,0.0
72719,CO-ADD:0242162,-5.43,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
72720,CO-ADD:0240547,-5.43,C(C(=O)c1ccc(cc1)Cl)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2c4ccccc4C)=O,0.0
72721,CO-ADD:0240731,-5.43,n1c2c(oc1c3cccc(C)c3)ccc(c2)\N=C\c(cccc4[N+](=O)[O-])c4,0.0
72722,CO-ADD:0240344,-5.43,c(C(=O)c1c(C2=O)cccc1)(c3c4ccccc4)c2c(n3c(cc5)ccc5C(C)C)c6ccc(cc6)Cl,0.0
72723,CO-ADD:0240842,-5.43,N1(c2cccc(C)c2C)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
72724,CO-ADD:0240324,-5.43,S(=O)(=O)(c1ccc(cc1)C)N(c2ccc(cc2)OC)CC(=O)NCc3ccco3,0.0
72725,CO-ADD:0240851,-5.44,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2OC)N3CCCC3,0.0
72726,CO-ADD:0240195,-5.44,n(\N=C\c1cc(Br)cc(Br)c1OCc2ccc(cc2Cl)Cl)(c3)cnn3,0.0
72727,CO-ADD:0240147,-5.44,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)cccc3,0.0
72728,CO-ADD:0242204,-5.44,N1(c(cc2)c(Cl)cc2C(c(cccc3[N+](=O)[O-])c3)c(cc4)cc(c4N5C(=O)c6c(cc(c(Cl)c6)Cl)C5=O)Cl)C(=O)c7c(cc(c(Cl)c7)Cl)C1=O,0.0
72729,CO-ADD:0244753,-5.44,c1(NC(CSC2=NN=C(C(=O)N2)C)=O)sc(c(ccc3C(OCC)=O)n1)c3,0.0
72730,CO-ADD:0240222,-5.44,C1(N=Nc2ccccc2[N+](=O)[O-])C(=N)C(C)=CC(N=Nc3ccccc3[N+](=O)[O-])C1=N,0.0
72731,CO-ADD:0240797,-5.44,c1(nnc(CC(C)C)s1)NC(=O)c2ccc(cc2)OC,0.0
72732,CO-ADD:0245849,-5.44,c1(\C=N\NC(CCC(=O)NC2CCCCC2)=O)c3c(cccc3)cc(cccc4)c14,0.0
72733,CO-ADD:0242417,-5.44,c(Nc1ccccc1)(nc(N\N=C\c(ccc2c3ccc(cc3Cl)Cl)o2)nc4Nc5ccccc5)n4,0.0
72734,CO-ADD:0246036,-5.44,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc(Br)c(c4)OC)c4OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
72735,CO-ADD:0244742,-5.44,S(=O)(=O)(NCC(C)c1ccccc1)c2cccc3c2cccc3S(=O)(=O)NCC(C)c4ccccc4,0.0
72736,CO-ADD:0244731,-5.44,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
72737,CO-ADD:0244469,-5.44,C(=O)(c(cc1)ccc1C2CCCCC2)Nc3ccccc3CC,0.0
72738,CO-ADD:0240397,-5.44,C(C#N)(C(c1ccc(cc1)Cl)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
72739,CO-ADD:0153105,-5.44,O=C(NC1=CN(C)C(C(NC2=CN(C)C(C(NC3=NC(C(NCCCN(C)C)=O)=C(C(C)C)S3)=O)=C2)=O)=C1)C4=CC(Cl)=C(Cl)N=C4.OC(C(F)(F)F)=O,0.0
72740,CO-ADD:0149823,-5.44,NC1=C(C=C(C(N2CCC(O)CC2)=N1)C#N)C#N,0.0
72741,CO-ADD:0149772,-5.44,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC(OC)=C(C=C4)OC)C#N,0.0
72742,CO-ADD:0153064,-5.44,CC(C)CCC1=C(C(NCCCN(C)C)=O)N=C(NC(C2=CC(NC(C3=CC(NC(C4=C(C(F)(F)F)N=C(N)S4)=O)=CN3C)=O)=CN2C)=O)S1.OC(C(F)(F)F)=O,0.0
72743,CO-ADD:0246061,-5.44,c1(scc(c2ccc(cc2)Br)n1)NC(COc(cc3)ccc3C(OC)=O)=O,0.0
72744,CO-ADD:0244852,-5.44,C(N(C)C(=O)N1C)(C1N2)N=C3N2C(=O)\C(=C\c(ccc([N+](=O)[O-])c4)c4)\S3,0.0
72745,CO-ADD:0241806,-5.44,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccccc2I)Nc3cc(OC)nc(OC)n3,0.0
72746,CO-ADD:0242737,-5.45,c(cc(C(O)=O)cc1[N+](=O)[O-])([N+](=O)[O-])c1NCCCO,0.0
72747,CO-ADD:0244902,-5.45,C1(C2NC(=S)N1)N(C)C(=S)N2C,0.0
72748,CO-ADD:0241277,-5.45,S(=O)(=O)(c1ccc(cc1)C)N(C)C(NC(C)=O)C(Cl)(Cl)Cl,0.0
72749,CO-ADD:0245649,-5.45,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2O)cc(c2)O)n(c3c1S(CCC)(=O)=O)cccc3C,0.0
72750,CO-ADD:0241486,-5.45,c12c(c(ccc1OC)OC)c(cc(C)n2)C,0.0
72751,CO-ADD:0244454,-5.45,C(/C=O)(\c(cc1)ccn1)=C\O,0.0
72752,CO-ADD:0241761,-5.45,C12(c3c(NC1=O)cccc3)C(C(=O)OCc4ccccc4)=C(C)OC(N)=C2C(=O)OC(C)(C)C,0.0
72753,CO-ADD:0241746,-5.45,C(C#N)(C1c2ccc(cc2)Br)=C(N)OC(CC(c3ccccc3)CC4=O)=C14,0.0
72754,CO-ADD:0244423,-5.45,N1(C)CC(C)CC([H])(O)C1C.Cl,0.0
72755,CO-ADD:0240878,-5.45,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\C=C\c5cccc(Br)c5,0.0
72756,CO-ADD:0245828,-5.45,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)N\N=C\c(cc4)ccc4\C=N\Nc(nc5N(CC6)CCO6)nc(n5)N(CC7)CCO7,0.0
72757,CO-ADD:0244627,-5.45,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)SC(N\N=C\c3ccccc3F)=N,0.0
72758,CO-ADD:0240161,-5.45,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c6ccc(cc6)Br)C(C)=O,0.0
72759,CO-ADD:0240891,-5.45,C(F)(F)(F)c(ccc(c1\N=C\c(ccc(c2OC)O)c2)Oc3ccccc3)c1,0.0
72760,CO-ADD:0240272,-5.45,N1(CC(=O)NCC(=O)OCc2ccccc2Cl)C(=O)c(c3C1=O)cccc3,0.0
72761,CO-ADD:0149294,-5.45,COc(ccc(c(c(c1cc(c(c(OC)c1)OC)OC)n2)c(o2)N)c3)c3,0.0
72762,CO-ADD:0149090,-5.45,c(N)(c1C(c(ccc(OC)c2)c2)=O)cc3c(OCCO3)c1,0.0
72765,CO-ADD:0148956,-5.46,c1(cc(OCO2)c2c3)c3C(CC(=O)N1)c(cc4OC)cc(c4OC)OC,0.0
72766,CO-ADD:0148980,-5.46,c1(nc(c2n1Cc(cc3)ccc3OC)cccc2)c4nonc4NC(C)=O,0.0
72767,CO-ADD:0240651,-5.46,n1(nnc(C(OCC)=O)c1COc2ccccc2)c3nonc3N,0.0
72768,CO-ADD:0240943,-5.46,c1(nonc1N)\C(=N\OCc2cccc(Br)c2)\Nc(cc3)ccc3C,0.0
72769,CO-ADD:0240723,-5.46,P(c1ccccc1)(c2ccccc2)(=S)Oc(cc3)ccc3C,0.0
72770,CO-ADD:0242122,-5.46,N1C(SCC(=O)OC2CC(C(C)(C)C23C)CC3)=NN=C(C)C1=O,0.0
72771,CO-ADD:0241671,-5.46,c1(C#N)c(SCc2cccc(C)c2)nsc1SCc3cccc(C)c3,0.0
72772,CO-ADD:0241450,-5.46,n1(c2c(n3)cccc2)c3S\C(=C/c(cc(I)cc4I)c4OC)\C1=O,0.0
72773,CO-ADD:0149815,-5.46,CC1=C(C(C2=CC=C(C=C2)[N+]([O-])=O)C(C#N)=C(N)O1)C(OCC)=O,0.0
72774,CO-ADD:0149837,-5.46,C#CCNC(C(C#N)=C1)=NC(NC2CCN(CC3=CC=CC=C3)CC2)=C1C#N.Cl,0.0
72775,CO-ADD:0148589,-5.46,OC(C=CC(O)=C1)=C1C2=CN(C3=CC=C(O)C=C3)N=N2,0.0
72776,CO-ADD:0245840,-5.46,n1(c2ccccc2)ncc3c1ncnc3NCCc(ccc(c4OC)OC)c4,0.0
72777,CO-ADD:0246050,-5.46,n(nnc1C(=O)N\N=C\c(c(O)ccc2[N+](=O)[O-])c2)(c1COC)c3nonc3N,0.0
72778,CO-ADD:0244593,-5.46,[N+](=O)([O-])c(cc(OC)cc1NC(COc2ccccc2C)=O)c1,0.0
72779,CO-ADD:0245506,-5.46,C12=C(CC(C)(C)CC1=O)NC(=O)CC2c(cccc3[N+](=O)[O-])c3,0.0
72780,CO-ADD:0244543,-5.47,[N+](=O)([O-])c(ccc(c1\C=N\c(cc2)ccc2c3ccccc3)O)c1,0.0
72781,CO-ADD:0241420,-5.47,N(C(=O)\C(\S1)=C/c(cc2)ccc2OCC)=C1N3CCCCC3,0.0
72782,CO-ADD:0244947,-5.47,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n1,0.0
72783,CO-ADD:0245073,-5.47,C12(CCCCC1)SC(C(C)N2c3cccc(C)c3)=O,0.0
72784,CO-ADD:0244426,-5.47,C(C(C)(C)C)(C1)=CC(CN1C)=O.Br,0.0
72785,CO-ADD:0241800,-5.47,c1(n[nH]cc1C#N)[N+](=O)[O-],0.0
72786,CO-ADD:0242412,-5.47,c1(N2CCCCC2)nc(N\N=C\c(cc3)ccc3OCc4ccccc4Cl)nc(Nc5ccccc5)n1,0.0
72787,CO-ADD:0241935,-5.47,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2cccc(OC)c2)=O)c3cccs3,0.0
72789,CO-ADD:0149157,-5.47,c1c(cc2c(c1)oc(n2)c(cc(c(c3OC)OC)OC)c3)NC(=O)c4cc(OC)ccc4,0.0
72791,CO-ADD:0148910,-5.47,c1(nc(c2n1Cc(cc3)ccc3C(C)(C)C)cccc2)c4nonc4N,0.0
72792,CO-ADD:0148841,-5.47,c(C(=O)c1ccc(cc1C)C)(c2N)sc3c2cc(c4n3)CCCC4,0.0
72793,CO-ADD:0148931,-5.47,c12c(CCNC1c(ccc(c34)OCO3)c4)cc(c(OC)c2)OCC.Cl,0.0
72794,CO-ADD:0241899,-5.47,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C/c(ccc4c5ccc(cc5)Br)o4,0.0
72795,CO-ADD:0242842,-5.47,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\n(cnn3)c3)sc(c4n1)cccc4,0.0
72796,CO-ADD:0245584,-5.48,c1(c2)c(N(CCC1(c3ccccc3)c4ccccc4)CCC5(c6ccccc6)c7ccccc7)c5cc2[N+](=O)[O-],0.0
72797,CO-ADD:0241578,-5.48,n1c(ccc(c2)\N=C\c(ccc3c4ccc(cc4)Cl)o3)c2oc1c5ccccc5,0.0
72798,CO-ADD:0242579,-5.48,[N+](=O)([O-])c1c(\C=N\NC(c(cc2)ccn2)=O)cc(c(OCc3ccccc3)c1)OC,0.0
72799,CO-ADD:0244840,-5.48,CN(C(=S)N1C)C(C1N2)N3C(S\C(=C(/C4=O)\c5c(cccc5)N4Cc(cc6)ccc6Cl)\C3=O)=N2,0.0
72800,CO-ADD:0147065,-5.48,c1(ccccc1n2)nc3c2c(cccn4)c4c5ncccc53,0.0
72801,CO-ADD:0241394,-5.48,C1(C(=O)Nc2ccccc2)=C(C)NC(C(C#N)=C1c3cccs3)=S,0.0
72802,CO-ADD:0241274,-5.48,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(c(cccc3)c3n4C(C)=O)c4)\C1=O)=O,0.0
72803,CO-ADD:0242018,-5.48,N1(C=O)N=C(CC1(O)c2ccccc2)CC,0.0
72804,CO-ADD:0246008,-5.48,c1(C#N)c2c(sc1\N=C\c(cc3)cc(c3OC(=O)c4cc(F)c(cc4Cl)F)OC)CCCC2,0.0
72805,CO-ADD:0241588,-5.48,n(c1C)(nnc1C(=O)N\N=C\c2ccccc2[N+](=O)[O-])c3nonc3N,0.0
72806,CO-ADD:0246182,-5.48,N1(c2ccccc2OCC)C(=O)C(C(C1=O)C34\C=N\c(cc5)ccc5CC)C(c(c36)cccc6)c(c47)cccc7,0.0
72807,CO-ADD:0241448,-5.48,n1(c2c(n3)cccc2)c3S\C(=C/c4cc(Br)ccc4O)\C1=O,0.0
72808,CO-ADD:0241408,-5.48,C(C(OCC)=O)(=C(C)NC(=C1C(OCC)=O)C)C1c2ccc(cc2)OCCCC,0.0
72809,CO-ADD:0244611,-5.48,C(=O)(N\N=C(\C)/c1ccccc1)C(O)(c2ccccc2)c3ccccc3,0.0
72810,CO-ADD:0241955,-5.48,N1(N=C(CC1(O)c2ccccc2)CC)C(=O)c3ccccc3F,0.0
72811,CO-ADD:0242327,-5.48,N1C(=O)\C(\NC1=S)=C/c2c(cccc2Cl)Cl,0.0
72812,CO-ADD:0240548,-5.48,C(C(C)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(O)C(N1Cc3ccccc3)=O,0.0
72813,CO-ADD:0149013,-5.48,c1ccc([nH]cc2C(=O)C(Nc(c(CCCC3)c34)ccc4)=O)c2c1,0.0
72814,CO-ADD:0149189,-5.48,COc(c1OC)c(\C=C\C(c(cc2)cc(OC)c2OC)=O)ccc1OC,0.0
72817,CO-ADD:0149281,-5.49,c1(c2ccccc2OC)nc(s3)c(c(N)c3C(c(cc(OCO4)c45)cc5)=O)cc1,0.0
72819,CO-ADD:0242233,-5.49,C(=O)(N\N=C\c(ccc(c1OCC)O)c1)Nc2ccccc2,0.0
72820,CO-ADD:0242245,-5.49,C(=C/c1cccc(cccc2)c12)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
72821,CO-ADD:0242496,-5.49,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCCNC(=O)c2cccc(Br)c2,0.0
72822,CO-ADD:0242452,-5.49,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c4c5c(cccc5)cc(cccc6)c46)n1,0.0
72823,CO-ADD:0242506,-5.49,[N+](=O)([O-])c1ccccc1C(=O)NNC(=O)c(cc2)ccc2c3ccccc3,0.0
72824,CO-ADD:0240829,-5.49,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Br)SC(=NN2c6ccccc6Cl)C(C)=O,0.0
72825,CO-ADD:0147073,-5.49,CC(C12C(c3c(O2)cccc3)N1N4C(c5c(C4=O)cccc5)=O)=O,0.0
72826,CO-ADD:0245917,-5.49,S(c1ccccc1)(=O)(=O)C\N=C(/c2ccc(cc2)C)\NC(=S)Nc(cc3)ccc3OC,0.0
72827,CO-ADD:0246143,-5.49,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c5ccccc5O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
72828,CO-ADD:0245630,-5.49,N(\C(=N/c1cccc(C)c1)\C2(N3c(cc4)ccc4C(OCC)=O)CCCCC2)=C3SC.I,0.0
72829,CO-ADD:0245632,-5.49,C1(O)(CC(=O)c(c2O1)ccc(cccc3)c23)C(F)(F)C(F)(F)OC(F)(F)F,0.0
72830,CO-ADD:0242632,-5.49,S(=O)(=O)(c1ccc(cc1)OC)N2CCSC2c3ccc(c(Br)c3)OC,0.0
72831,CO-ADD:0241334,-5.5,C(=O)(N(c1ccccc1)c2ccccc2)c3ccccc3C(O)=O,0.0
72832,CO-ADD:0245536,-5.5,N1c(ccc(c2)C(OC)=O)c2C3C(CC=C3)C1c(cc4)ccc4[N+](=O)[O-],0.0
72833,CO-ADD:0245316,-5.5,C1(c(cccc2[N+](=O)[O-])c2)(NN=C3C(OC)=O)C3C(N(c4ccccc4)C1=O)=O,0.0
72834,CO-ADD:0245057,-5.5,c1([N+](=O)[O-])nnn(C\C(\C)=N\NC(=O)c2n[nH]cc2[N+](=O)[O-])n1,0.0
72835,CO-ADD:0246176,-5.5,c1(cc(C)nc(ccc(OC)c2)c12)Nc3cccc(Cl)c3,0.0
72836,CO-ADD:0244596,-5.5,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc(cc2)c(C)cc2c3cccc(C)c3,0.0
72837,CO-ADD:0246226,-5.5,C(=C(/C)\NNC(C)=O)/C(=O)C(C)(C)C,0.0
72838,CO-ADD:0149306,-5.5,c(Cl)(cc1)ccc1Nc(n2)oc(c(c3NCc4cccnc4)nsc3)n2,0.0
72840,CO-ADD:0148705,-5.5,c1(C(c(cc(OC2)c3O2)cc3)=O)c(N)c(cc4c(CCCC4)n5)c5s1,0.0
72841,CO-ADD:0149057,-5.5,c(c1)c(n2Cc(cc3)ccc3Cl)c(c(C(=O)C(=O)Nc(c4)ccc(OC(F)(F)F)c4)c2)cc1,0.0
72843,CO-ADD:0244763,-5.5,n1(nnc(C(NN)=O)c1CN(CC2)CCO2)c3nonc3N,0.0
72844,CO-ADD:0241939,-5.5,n1c2c(oc1c3cccc(Br)c3)ccc(c2)\N=C\C=C\c4cccc(Br)c4,0.0
72845,CO-ADD:0242254,-5.5,C(=C/c1cc(Br)cc(Br)c1OC)(/C(=O)c2c3cccc2)\C3=O,0.0
72846,CO-ADD:0240590,-5.5,C(=N/c(cc1)ccc1Cl)(/S2)\C(Cl)=NS2,0.0
72847,CO-ADD:0242459,-5.5,c1(C#N)c2c(sc1\N=C\c3scc(Br)c3)CC(C)CC2,0.0
72848,CO-ADD:0245022,-5.5,c1(C(=O)Oc2ccc(cc2OC)\C=N\c(cc3)ccc3OC)c(Cl)c4c(cccc4)s1,0.0
72849,CO-ADD:0149742,-5.5,S=C1C(C#N)=CC(C#N)=C2N1C(CN2C)=C,0.0
72850,CO-ADD:0241203,-5.5,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\C(C)C)n(c2c1S(CCC)(=O)=O)cccc2C,0.0
72851,CO-ADD:0242683,-5.5,S(=O)(=O)(c1ccc(cc1)CC)Oc2c(Br)cc(c(cccn3)c23)Br,0.0
72852,CO-ADD:0242757,-5.5,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-],0.0
72853,CO-ADD:0245612,-5.51,N(CN(CC1)CCO1)(N=C(N2C)c3ccccc3Cl)C2=S,0.0
72854,CO-ADD:0241603,-5.51,n1(nnc(C(=O)N\N=C\c(ccc(c2[N+](=O)[O-])OC)c2)c1CN(CC)CC)c3nonc3N,0.0
72855,CO-ADD:0242948,-5.51,P1(=O)(OCC(F)(F)F)C=C(c2ccccc2)N(N=C1C(OCC)=O)c(cc3)ccc3[N+](=O)[O-],0.0
72856,CO-ADD:0245517,-5.51,C(C#N)(C1c(cccc2[N+](=O)[O-])c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C.[Na+],0.0
72857,CO-ADD:0244549,-5.51,S(=O)(=O)(c1ccc(cc1)NC(=O)c2ccc(cc2)C)Nc3sccn3,0.0
72858,CO-ADD:0244558,-5.51,c1(ccc(cc1Cl)Cl)C(=O)Nc2cc(C)ccc2C,0.0
72859,CO-ADD:0242660,-5.51,N1(c2cccc(Cl)c2C)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
72860,CO-ADD:0245511,-5.51,S(=O)(=O)(Cc(cc1)ccc1Cl)C2CCCCC2OC(=O)CCN(C)C,0.0
72861,CO-ADD:0245315,-5.51,c1(C(=O)c2cc(OC)ccc2OC)oc(c3c1NC(C)=O)cccc3,0.0
72862,CO-ADD:0240154,-5.51,c(c(F)c1F)(c(F)c(c1C(=O)Nc2sccn2)F)C(=O)Nc3sccn3,0.0
72863,CO-ADD:0240940,-5.51,S(=O)(=O)(c(ccc(c12)c3c(cccc3)o1)c2)N(CC4)CCO4,0.0
72864,CO-ADD:0240603,-5.51,n(c1C)(nnc1C(=O)OC(C)(C)C)c2nonc2N,0.0
72865,CO-ADD:0240683,-5.51,c1(\C=N\NC(=O)c2ccc(cc2)F)c(O)ccc(cccc3)c13,0.0
72866,CO-ADD:0240835,-5.52,N1(\N=C\c2cccc(cccc3)c23)C(=O)c4c(c5C1=O)c(ccc4)ccc5,0.0
72867,CO-ADD:0242260,-5.52,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c(cccc4[N+](=O)[O-])c4O)nc(Nc(cc5)ccc5C)n1.Cl,0.0
72868,CO-ADD:0149840,-5.52,BrC(/C(OC1=C2C=CC3=C1C=CC=C3)=NBr)(C2C4=CC=CC=C4OC)C#N,0.0
72870,CO-ADD:0149727,-5.52,O=C1NC(C2=CC=C(C=C2)OC)=CC(C3=C(Cl)N=C(C=CC=C4)C4=C3)=C1,0.0
72871,CO-ADD:0149728,-5.52,O=C1NC(C2=CC=C(C=C2)OC)=CC(C3=C(Cl)N=C(C=C(C=C4)OC)C4=C3)=C1,0.0
72872,CO-ADD:0149664,-5.52,NC(C(C#N)=C1C2=CC=CC=C2)=NC(NCCCC3CCN(CC4=CC=CC=C4)CC3)=C1C#N,0.0
72873,CO-ADD:0241304,-5.52,N1(c2ccccc2)C(=O)c3c(cc(cc3)Oc(cccc4NC(=O)c5cccs5)c4)C1=O,0.0
72874,CO-ADD:0241232,-5.52,C1(C#N)=C(N)OC(=C2C1c3ccc(CCCC)s3)CCCC2=O,0.0
72875,CO-ADD:0246213,-5.52,C(COc1ccccc1)(CO2)(COC2(C)C)NC(NCCCl)=O,0.0
72876,CO-ADD:0246131,-5.52,c1(SCC(=O)Nc2ccccc2C(F)(F)F)[nH]c(c3n1)ccc(C)c3,0.0
72877,CO-ADD:0241618,-5.52,N1(C(c2ccc(cc2)Cl)CC(c3ccc(cc3)C)=N1)c4scc(c(ccc(c5Br)OC)c5)n4.Br,0.0
72878,CO-ADD:0242799,-5.52,S(C)(=O)(=O)N(c1ccc(cc1)OC)C(C)C(=O)N\N=C\c(ccc(c2OCC)OCc(cc3)ccc3Cl)c2,0.0
72879,CO-ADD:0244532,-5.52,C(=O)(N\N=C\c1ccccc1OCc2ccccc2)c3cccc(c3)NC(CCCC)=O,0.0
72880,CO-ADD:0244620,-5.52,C(=O)(NNc1ccccc1)C(O)(c2ccccc2)c3ccccc3,0.0
72881,CO-ADD:0246230,-5.53,c1(c(C)cc(cc1C)C)NC(CCC(=O)N\N=C\c(cc2)ccc2Br)=O,0.0
72882,CO-ADD:0244979,-5.53,[N+](=O)([O-])c(ccc(c1\C=N\c(cc2)ccc2CC(OCC)=O)N(CC3)CCO3)c1,0.0
72883,CO-ADD:0245026,-5.53,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
72884,CO-ADD:0245435,-5.53,c1(nc(c2n1CC(=O)N\N=C\c(ccc3c(cc4)ccc4[N+](=O)[O-])o3)cccc2)c5nonc5N,0.0
72885,CO-ADD:0242469,-5.53,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c4cc(Cl)ccc4O)n1,0.0
72886,CO-ADD:0244510,-5.53,C(/C(=O)c1ccc(cc1)Br)(\C(\C(OC)=O)=N\c2ccccc2)=C(/C3=O)\Sc4c(cccc4)N3,0.0
72887,CO-ADD:0245615,-5.53,c1(C(=O)Oc2ccc(cc2OC)\C=N\NC(=O)c3ccccc3OC)c(Cl)c4c(cccc4)s1,0.0
72888,CO-ADD:0244908,-5.53,C1(C2NC(=[Se])N1)N(C)C(=O)N2C,0.0
72889,CO-ADD:0245283,-5.53,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
72890,CO-ADD:0241009,-5.53,S(=O)(=O)(c(cc1)ccc1N2C(=O)CCC2=O)Nc(cc3)ccc3OC,0.0
72891,CO-ADD:0149674,-5.53,NC(C(C#N)=C1C2=CC=CC=C2)=NC(NCCO)=C1C#N.Cl,0.0
72892,CO-ADD:0245778,-5.53,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccccc4O,0.0
72893,CO-ADD:0241574,-5.53,c1(c2ccccc2F)oc(c3n1)ccc(c3)\N=C\C=C\c4cccc(Br)c4,0.0
72894,CO-ADD:0241605,-5.53,n1(nnc(C(=O)N\N=C\c2cccc(Cl)c2Cl)c1CN(CC)CC)c3nonc3N,0.0
72895,CO-ADD:0242872,-5.53,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)S\C(\Nc3ccccc3)=N/c4ccccc4,0.0
72896,CO-ADD:0242852,-5.53,C(C#N)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)OC,0.0
72897,CO-ADD:0245757,-5.53,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N/NC(=O)c3ccc(cc3)Br)Br,0.0
72898,CO-ADD:0244997,-5.53,c1(\C(\C)=N\N=C(/SCC2=O)\N2)c(C)non1,0.0
72899,CO-ADD:0244413,-5.53,N(CC(=O)C=C1C)(C1)C(C)(C)C.Cl,0.0
72900,CO-ADD:0245596,-5.54,C1(=O)OC2C3C1C(C(O)=O)C(CC3)C2Cl,0.0
72901,CO-ADD:0245841,-5.54,c(C(C(O)=O)C\C(\c1ccccc1)=N\NCc2ccccc2)(c3c(n4Cc5ccccc5)cccc3)c4,0.0
72902,CO-ADD:0241548,-5.54,c1(c(C)non1)N(Cc(cc2)ccc2Cl)N=Nc3c(C)non3,0.0
72903,CO-ADD:0241144,-5.54,c1(c2ccc(cc2Cl)Cl)[nH]c3c(ccc(c3)\N=C\c4cc(OC)ccc4O)n1,0.0
72904,CO-ADD:0245025,-5.54,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n1,0.0
72905,CO-ADD:0242414,-5.54,N1(CC=C)C(=O)\C(\SC1=S)=C/c(c(Cl)ccc2[N+](=O)[O-])c2,0.0
72906,CO-ADD:0240299,-5.54,N1(c(cc2)ccc2C(O)=O)C(=O)CC(N3CCC(CC3)Cc4ccccc4)C1=O,0.0
72907,CO-ADD:0242529,-5.54,n1(c2c(n3)cccc2)c3S\C(=C/c4cc(OC)c(cc4[N+](=O)[O-])OCc5ccccc5)\C1=O,0.0
72908,CO-ADD:0240934,-5.54,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)\N=C\c4c(cccc4Cl)Cl)n1,0.0
72909,CO-ADD:0242324,-5.54,c1(\N=C\c(ccc2c(cc3)ccc3[N+](=O)[O-])o2)c(c4ccc(c(OC)c4)O)nc(cccc5)n15,0.0
72910,CO-ADD:0245775,-5.54,N1(c2ccc(c(C)c2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C(O)=O,0.0
72911,CO-ADD:0245442,-5.54,n12c(nnn1)c(Nc3ccccc3Cl)nc(non4)c24,0.0
72912,CO-ADD:0241125,-5.54,N(c1cc(C)ccc1C)(C(=O)C(C23)C(C=C4)OC24)C3=O,0.0
72913,CO-ADD:0241684,-5.54,C1(C2c3cccc(Cl)c3)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
72914,CO-ADD:0241824,-5.54,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(cc(Br)c(c3)O)c3O)n1,0.0
72915,CO-ADD:0240541,-5.54,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(cc6)cc(c6[N+](=O)[O-])C)o5,0.0
72916,CO-ADD:0241904,-5.54,C(=O)(NC(=O)C=C1C(O)=O)N1CCCC,0.0
72917,CO-ADD:0242837,-5.54,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)NC(=O)c4ccc(cc4Cl)Cl)n1,0.0
72918,CO-ADD:0241490,-5.54,n1(CC)c2c(c(cc(cc3)NC(=O)C\C(\C)=N\NC(COc4ccccc4C)=O)c13)cccc2,0.0
72919,CO-ADD:0241469,-5.55,c1(Nc(cccc2C(F)(F)F)c2)nc(NC)nc(N\N=C\c(cc(I)cc3I)c3C)n1.Cl,0.0
72920,CO-ADD:0242344,-5.55,C1(C#N)(C#N)[C@@H](c(cc2OC)cc(c2OC)OC)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C(C)(C)C,0.0
72921,CO-ADD:0242312,-5.55,c1(\N=C\c2ccccc2O)c(c(cccc3[N+](=O)[O-])c3)nc(cccc4)n14,0.0
72922,CO-ADD:0240215,-5.55,C1(=C(O)CC(C)(C)CC1=O)C(C2C(=O)CC(CC2=O)(C)C)c3cc(OC)c(cc3[N+](=O)[O-])OC,0.0
72923,CO-ADD:0240834,-5.55,N1(c2ccccc2)CC(CC1=O)C(NCCCO)=O,0.0
72924,CO-ADD:0240609,-5.55,P(C)(O)(=O)CN(CC)CCC(O)=O,0.0
72925,CO-ADD:0240703,-5.55,c1(cc(OCC)ccc1NC(C)=O)[N+](=O)[O-],0.0
72926,CO-ADD:0241152,-5.55,C(=C/c(ccc(c12)OCO1)c2)(/C(NCCNC(=O)\C(=C\c(ccc(c34)OCO3)c4)\NC(c5ccccc5)=O)=O)\NC(c6ccccc6)=O,0.0
72927,CO-ADD:0242893,-5.55,C1(C(OCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OC)=O,0.0
72928,CO-ADD:0245439,-5.55,c1(\C(\C)=N/N=C(/SC=C2c3ccccc3)\N2)c(C)non1,0.0
72929,CO-ADD:0245763,-5.55,n1(c(C)c(nn1)\C(\C)=N\NC(=O)c2ccc(cc2)OC)c3nonc3N,0.0
72930,CO-ADD:0245054,-5.56,C(C1)(CC2CC1CC3C2)(C3)NC(=O)C\C(\C)=N\NC(OCc(cc4)ccc4OC)=O,0.0
72931,CO-ADD:0245094,-5.56,s1c(N)nnc1SCC(=O)Nc2sccn2,0.0
72932,CO-ADD:0245651,-5.56,S(=O)(=O)(NCc(cccn1)c1)c(ccc(c23)C(=O)c4c(cccc4)C2=O)c3,0.0
72933,CO-ADD:0245510,-5.56,C(/C#N)(=C/c(cc1)ccc1N(C)C)\C(OC)=O,0.0
72934,CO-ADD:0245314,-5.56,c1(C(=O)C2CC2)oc(c3c1NC(C)=O)cccc3,0.0
72935,CO-ADD:0244429,-5.56,C1(NC(CCl)=O)=C(C)N(N(c2ccccc2)C1=O)C,0.0
72936,CO-ADD:0242716,-5.56,c12c(ccc(cccc3)c13)c(C)cc(\C=C\c4ccccc4)n2.Cl,0.0
72937,CO-ADD:0149780,-5.56,ClC(C(C#N)=C1)=NC(Cl)=C1C#N,0.0
72938,CO-ADD:0246011,-5.56,c1(cc(ccc1N(CC2)CCO2)n3cnnn3)[N+](=O)[O-],0.0
72939,CO-ADD:0241590,-5.56,n(c1C)(nnc1C(=O)N\N=C\c(cc2)ccc2SC)c3nonc3N,0.0
72940,CO-ADD:0246001,-5.56,c1(\N=C\c(c(O)ccc2[N+](=O)[O-])c2)c(c3ccc(c(OCC)c3)O)nc(cccc4)n14,0.0
72941,CO-ADD:0241022,-5.56,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\NC(c3ccccc3)=O)o2)Cl)c1,0.0
72942,CO-ADD:0245749,-5.56,C(=C/Nc(cc1)ccc1Oc(cc2)ccc2Br)(/C3=O)\C(C(F)(F)F)=NN3c(cc4)ccc4[N+](=O)[O-],0.0
72943,CO-ADD:0245089,-5.56,C(=O)(C(NCCOC)=O)Nc1cccc(Cl)c1Cl,0.0
72944,CO-ADD:0244670,-5.56,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OCC)CC(=O)N\N=C(/C)\c3ccc(cc3)OC,0.0
72945,CO-ADD:0240574,-5.56,S(=O)(=O)(c(cc1)ccc1c2csc(Nc(cc3)ccc3F)n2)N4CCCC4.Br,0.0
72946,CO-ADD:0241057,-5.56,C(=N\c1ccccc1OC)(/c2c(N3)ccc(C)c2)\C3=O,0.0
72947,CO-ADD:0241050,-5.56,C(/c1c2cccc1)(\c3c2cccc3)=N\NC(=O)c4ccccc4F,0.0
72948,CO-ADD:0240508,-5.57,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(cccn2)c2,0.0
72949,CO-ADD:0245505,-5.57,N(=C\c(ccc1c(cccc2C(O)=O)c2)o1)/N(c3ccccc3)c4ccccc4,0.0
72950,CO-ADD:0240560,-5.57,C(/c1c(N2)cccc1)(=N\N=C(\SCC3=O)/N3)\C2=O,0.0
72951,CO-ADD:0242563,-5.57,n1(c2c(nc1)cccc2)S(=O)(=O)c3ccc(c(OC)c3)OC,0.0
72952,CO-ADD:0242444,-5.57,C(=O)(c1ccc(cc1)OCC(C)C)NC(c2ccccc2)CC(=O)[O-],0.0
72953,CO-ADD:0241427,-5.57,c1(N(CC2)CCO2)nc(OC)nc(N\N=C\c(ccc3c(ccc(c4[N+](=O)[O-])Cl)c4)o3)n1,0.0
72954,CO-ADD:0149789,-5.57,NC1=C2C(CCN(CC#C)C2)=NC3=NC=CC=C31.Cl,0.0
72955,CO-ADD:0153043,-5.57,O=C(N([H])C1=CN(C)C(C(N(C2=CN(C)C(C(N([H])CCCN(C)C)=O)=C2)[H])=O)=C1)C3=CC=C(C(OC)=O)C=C3.OC(C(F)(F)F)=O,0.0
72956,CO-ADD:0149582,-5.57,ClC(C(C#N)=C1)=NC(OC)=C1C#N,0.0
72957,CO-ADD:0149640,-5.57,O=C(OC1=CC=C(C=C1)[N+]([O-])=O)OC2=CC=C(NC(C(OCC)=O)=C3)C3=C2,0.0
72958,CO-ADD:0245945,-5.57,N1(C(=O)c2ccccc2F)N=C(CC1(O)C(C)(C)C)C(F)(F)F,0.0
72959,CO-ADD:0244260,-5.57,C(=O)(c(cc1)ccc1N(C)C)Oc(cc2)ccc2\C=N\NC(c3ccccc3)=O,0.0
72960,CO-ADD:0244676,-5.57,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)C(Cc2ccccc2)Cc3ccccc3,0.0
72961,CO-ADD:0245747,-5.58,C(=C/Nc(cc1)ccc1[N+](=O)[O-])(/C2=O)\C(C(F)(F)F)=NN2c(cc3)ccc3[N+](=O)[O-],0.0
72962,CO-ADD:0241422,-5.58,N1(c2ccc(cc2)Br)C(c3ccccc3)Nc(c4C1=O)cccc4,0.0
72963,CO-ADD:0245834,-5.58,N1(C(c2ccccc2)=O)C3C1C4CC3C(N4C(F)(F)F)(F)F,0.0
72964,CO-ADD:0245669,-5.58,S(C)(=O)(=O)N(c1ccc(cc1)C)CC(=O)N\N=C(\C2)/CCCCCCCCCC2,0.0
72965,CO-ADD:0244282,-5.58,C(/CC(C)=O)(=N\NC(N)=S)\C(F)(F)F,0.0
72966,CO-ADD:0245696,-5.58,N(\C(=C/c(cc1)ccc1OCc(cc2)ccc2C)\C(O3)=O)=C3c(cc4)ccc4C(C)(C)C,0.0
72967,CO-ADD:0244949,-5.58,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Cl)n1,0.0
72968,CO-ADD:0245750,-5.58,C(C(F)(F)F)(N1)=C(\C=N\Cc2ccco2)C(N1c(cc3)ccc3[N+](=O)[O-])=O,0.0
72969,CO-ADD:0241012,-5.58,N1(c(cc2)ccc2C(=O)Nc(cc3)ccc3OC)C(=O)CCC1=O,0.0
72970,CO-ADD:0242292,-5.58,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3Br)cc(c3O)Br,0.0
72971,CO-ADD:0242243,-5.58,[N+](=O)([O-])c(cc(C)cc1c2ccc(\C=N\NC(=O)c(cccn3)c3)o2)c1C,0.0
72972,CO-ADD:0241425,-5.58,c1(N(CC)CC)nc(N\N=C\c(ccc2c(cc3)ccc3[N+](=O)[O-])o2)nc(Nc(ccc(c4Cl)C)c4)n1.Cl,0.0
72973,CO-ADD:0242223,-5.58,C(=O)(N\N=C\c(ccc(c1OC)OCc2ccccc2Cl)c1)c(cccn3)c3,0.0
72974,CO-ADD:0242490,-5.59,[N+](=O)([O-])c1c(NCCNC(=O)c2cccc(Br)c2)ccc(Cl)c1,0.0
72975,CO-ADD:0242726,-5.59,C(=N\c1c(C)cc(cc1C)C)(/c(cc(C)cc2)c23)\c(c4C)c3c(cn4)C,0.0
72976,CO-ADD:0153039,-5.59,O=C(N([H])C1=CN(C)C(C(N(C2=CN(C)C(C(N([H])CCCN(C)C)=O)=C2)[H])=O)=C1)CCC(O)=O.OC(C(F)(F)F)=O,0.0
72977,CO-ADD:0153042,-5.59,O=C(N([H])C1=CN(C)C(C(N(C2=CN(C)C(C(N([H])CCC(N)=N)=O)=C2)[H])=O)=C1)CCC(OC)=O.OC(C(F)(F)F)=O,0.0
72978,CO-ADD:0241868,-5.59,c1(non2)c2nc(Nc3ccccc3OC)c(N\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-])n1,0.0
72979,CO-ADD:0241256,-5.59,S(=O)(=O)(c1ccc(cc1)C)\N=C(\NC2)/NCN2c(cccc3[N+](=O)[O-])c3,0.0
72980,CO-ADD:0242211,-5.59,C(CC)(CC)(c1ccccc1)C(OCCOCCN(CC)CC)=O,0.0
72981,CO-ADD:0245295,-5.59,c1(SCC(=O)Nc2ccc(cc2C)C)sc3c(ccc(c3)\N=C\c4cc(Cl)ccc4O)n1,0.0
72982,CO-ADD:0242203,-5.59,C(=O)(c1ccc(cc1)N)Nc2ccccc2OCCC,0.0
72983,CO-ADD:0241485,-5.59,o(c1c2ccccc2)c(c3ccc(cc3)\N=C\c(cccc4[N+](=O)[O-])c4)nn1,0.0
72984,CO-ADD:0241831,-5.59,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3OC)nc(Nc(ccc(c4Cl)C)c4)n1.Cl,0.0
72985,CO-ADD:0242622,-5.59,c(N(CC1)CCO1)(nc(N(C)N)nc2N(CC3)CCO3)n2,0.0
72986,CO-ADD:0246159,-5.59,C(=C/c(cc1OCC)cc(c1O)I)(/C2=O)\Sc(c23)cccc3,0.0
72987,CO-ADD:0244883,-5.59,[C@@]([H])(N(CC)C(=O)N1CC)([C@@]1([H])N2)N3C(SC4([C@H](c(c5)ccc(Br)c5)CN(C)[C@@]4(C6=O)c(cc7)c(cc7)N6)C3=O)=N2,0.0
72988,CO-ADD:0244819,-5.59,C(C)(C)N(CN(C1=O)C(N23)C(N4C2=S)N1CN(C(C)C)C4)C3,0.0
72989,CO-ADD:0242006,-5.59,S(=O)(=O)(c(cccc1C(=O)Oc2cccc(cccn3)c23)c1)N4CCCCC4,0.0
72990,CO-ADD:0244968,-5.6,S(=O)(=O)(N(CC)CC)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c(cc2)ccc2N(C)C,0.0
72991,CO-ADD:0242420,-5.6,c1(NC(=O)c(cccc2[N+](=O)[O-])c2C)sc(c3c1C(OCC)=O)CCCC3,0.0
72992,CO-ADD:0246167,-5.6,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c3ccccc3OCc4ccc(cc4Cl)Cl)\N2c5ccccc5,0.0
72993,CO-ADD:0242261,-5.6,c1(N(C)C)nc(N\N=C\c(c(O)ccc2[N+](=O)[O-])c2)nc(Nc(cc3)ccc3F)n1.CC(=O)O,0.0
72994,CO-ADD:0240539,-5.6,c1(\N=C\c(c(Cl)cc(c2[N+](=O)[O-])O)c2)c(c3ccc(c(OC)c3)O)nc(cccc4)n14,0.0
72995,CO-ADD:0241331,-5.6,c(cc(C(OCC)=O)c(n1)C)(c12)\C(\c3c2cccc3)=N/c4cccc(cccc5)c45,0.0
72996,CO-ADD:0244795,-5.6,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Br)SC(=NN2c6ccc(cc6)Cl)C(C)=O,0.0
72997,CO-ADD:0242861,-5.6,C(C#N)(C(c1ccc(cc1)CC)C2=C(N3c4ccc(cn4)Br)CCCC2=O)=C3N,0.0
72998,CO-ADD:0244321,-5.6,n1c(c2ccccc2)csc1N\N=C/c(cc3)ccc3Cl,0.0
72999,CO-ADD:0244248,-5.6,C(COc1ccccc1C#N)(=O)N\N=C(/C)\C=C\c2ccccc2,0.0
73000,CO-ADD:0244659,-5.6,[N+](=O)([O-])c1ccccc1\C=N\NC(CO)=O,0.0
73001,CO-ADD:0244910,-5.6,C1(C2NC(SC)=[N+]1[H])N(C)C(=S)N2C.[I-],0.0
73002,CO-ADD:0241979,-5.6,S(=O)(=O)(N1CCC(CC1)Cc2ccccc2)c3cccc(nsn4)c34,0.0
73003,CO-ADD:0245631,-5.6,C1(=S)N(c2cccc(C)c2)C3(\C(=N\c4cccc(C)c4)\N1)CCCC3,0.0
73004,CO-ADD:0242411,-5.6,N1C(=O)\C(\SC1=N)=C/c(ccc(c2OC)OCc(cc3)ccc3[N+](=O)[O-])c2,0.0
73005,CO-ADD:0241651,-5.6,N1(CC(CC1C(=O)Nc2cccc(C)c2)O)C(=O)Oc3ccccc3,0.0
73006,CO-ADD:0241430,-5.6,c(Nc1ccccc1)(nc(N\N=C(/C)\c2ccc(cc2)NC(C)=O)nc3Nc4ccccc4)n3,0.0
73007,CO-ADD:0241431,-5.6,c1(N(CC2)CCO2)nc(N\N=C\c3ccc(cc3OC)OC)nc(Nc(cc4)ccc4F)n1.Cl,0.0
73008,CO-ADD:0240522,-5.6,c1(N([H])C(=O)c2cc(Cl)cc(Cl)c2OC)sc(c(C)c1C(OCC)=O)C,0.0
73009,CO-ADD:0240401,-5.6,C(C#N)(C1c2cccs2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Br,0.0
73010,CO-ADD:0240855,-5.6,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2C(C)(C)C)N(CC3)CCO3,0.0
73011,CO-ADD:0240843,-5.6,N(=C\c(ccc(c12)cccn1)c2)/NC(Cc3ccccc3)=O,0.0
73012,CO-ADD:0242499,-5.61,[N+](=O)([O-])c1c(NCCNC(=O)c2ccc(cc2)C)ccc(Cl)c1,0.0
73013,CO-ADD:0242561,-5.61,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCO2,0.0
73014,CO-ADD:0228807,-5.61,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3OCC,0.0
73015,CO-ADD:0223101,-5.61,c1(c(O)c(\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
73016,CO-ADD:0230618,-5.61,C(C(OCC)=O)(=C(C)NC(=C1C(OCC)=O)C)C1c2ccccc2,0.0
73017,CO-ADD:0230582,-5.61,C(c1ccccc1)(=O)N\N=C\c2ccccc2OCCCCCCC,0.0
73018,CO-ADD:0223201,-5.61,C(=O)(Oc1ccc(cc1\C=N\NC(COc2c(C)cccc2C)=O)Br)c3ccco3,0.0
73019,CO-ADD:0228548,-5.61,C(c1ccccc1)(CN2CCCCCC2)C(=O)c3ccc(cc3)Cl.Cl,0.0
73020,CO-ADD:0223084,-5.61,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cccc2C(F)(F)F)c2)c3cc(C)ccc3C,0.0
73021,CO-ADD:0228544,-5.61,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(ccc3c4cccc(Cl)c4)o3,0.0
73022,CO-ADD:0228766,-5.61,[N+](=O)([O-])c(cccc1C(=O)Nc(cc2)ccc2C(OCCCCC)=O)c1,0.0
73023,CO-ADD:0223468,-5.61,N(=C\c(cc1)ccc1OCCC)/NC(Cc(cc2)ccc2OC)=O,0.0
73024,CO-ADD:0230551,-5.61,n1c2c([nH]c1\C=N\NC(CCCCCCCC(=O)N\N=C\c3[nH]c(c4n3)cccc4)=O)cccc2,0.0
73025,CO-ADD:0223564,-5.61,P(=O)(Oc1ccccc1)(N(CCCl)CCCl)N(C2)CC(C(=O)C2(C)C3)(C)CN3,0.0
73026,CO-ADD:0232405,-5.61,C(=N/c(cc1)ccc1C(O)=O)(/c2c(N3)cccc2)\C3=O,0.0
73027,CO-ADD:0235141,-5.61,C(=O)(c1ccc(cc1)Cl)Oc(cc2)ccc2C=O,0.0
73028,CO-ADD:0235880,-5.61,c1(ccccc1c2ccccc2)C(=O)OCC(=O)c3ccc(cc3)Br,0.0
73029,CO-ADD:0235494,-5.62,C1(c2cccc(cccc3)c23)N(c4ccccc4)CCN1c5ccccc5,0.0
73030,CO-ADD:0235274,-5.62,S(=O)(=O)(NCc(cc1OC)cc(c1OC)OC)c2cccc3c2cccc3S(=O)(=O)NCc(cc4OC)cc(c4OC)OC,0.0
73031,CO-ADD:0232368,-5.62,C1(=Cc2c(OC1=O)cccc2)c3csc(\N=C\c4cc(Br)ccc4O)n3,0.0
73032,CO-ADD:0235065,-5.62,C1(c2ccc(cc2)NC(CCl)=O)(c3ccc(cc3)NC(CCl)=O)c4c(cccc4)C(c(cccc5)c15)=O,0.0
73033,CO-ADD:0232288,-5.62,C1(C(=O)OCc2ccccc2)=C(C)NC(=O)NC1c3ccc(cc3)C,0.0
73034,CO-ADD:0232037,-5.62,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cc(Cl)cc4Br)c4O,0.0
73035,CO-ADD:0232787,-5.62,n1(c(C)c(nn1)\C(\C)=N\N=C\c(ccc(c2OC)O)c2)c3nonc3N,0.0
73036,CO-ADD:0235111,-5.62,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c2ccccc2I,0.0
73037,CO-ADD:0230456,-5.62,[C-](C#N)([S+](C)C)[N+](=O)[O-],0.0
73038,CO-ADD:0230531,-5.62,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1Br)C)=O)N2CCCCC2,0.0
73039,CO-ADD:0223536,-5.62,C(/C(C)=NO1)(\C1=O)=C\c2ccccc2OC,0.0
73040,CO-ADD:0223126,-5.62,c1(O)c(I)cc(cc1I)\C=N\NC(COc(cc2)ccc2Cl)=O,0.0
73041,CO-ADD:0230533,-5.62,N(C(CCCCCCCCCCC(=O)Nc1ccc(cc1OC)OC)=O)c2ccc(cc2OC)OC,0.0
73042,CO-ADD:0230532,-5.62,N(=C\c(cc1)ccc1OCc2ccccc2)/NC(CCC(=O)Nc(cc3)ccc3OC)=O,0.0
73043,CO-ADD:0223149,-5.62,N(\C(=C/c(cc1)ccc1F)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
73044,CO-ADD:0230818,-5.63,c1(OCCNC(=O)Cc2cccc(cccc3)c23)cc(C)ccc1C(C)C,0.0
73045,CO-ADD:0228908,-5.63,c1(c(ccc(c1)[N+](=O)[O-])Oc(cc2)ccc2\C=N\c(ccc(c34)oc(c5ccc(c6c5)cccc6)n3)c4)[N+](=O)[O-],0.0
73046,CO-ADD:0228971,-5.63,C(=C/c1ccco1)(/C(=O)c(c23)cccc2)\C3=O,0.0
73047,CO-ADD:0230334,-5.63,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc(cc2)ccc2\C(\C)=N\NC(CSCC(=O)N\N=C(/C)\c(cc3)ccc3NC(=O)c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4)=O)c1,0.0
73048,CO-ADD:0228592,-5.63,c1(cc(ccc1N2CCc(cccc3)c23)[N+](=O)[O-])[N+](=O)[O-],0.0
73049,CO-ADD:0232685,-5.63,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCC(OCC)=O,0.0
73050,CO-ADD:0231888,-5.63,c1(OCC(=O)N\N=C(/C)\c2ccc(cc2)F)c(OC)cc(cc1Br)Br,0.0
73051,CO-ADD:0232325,-5.63,C1(C(OCC)=O)=C(C)NC(NC1c2cccs2)=O,0.0
73052,CO-ADD:0223001,-5.63,c1(SCC(=O)Nc(ccc(c23)cccc2)c3)ccc(\C=N\NC(=O)c4cccc(Br)c4)o1,0.0
73053,CO-ADD:0235082,-5.63,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(CNc3ccccc3C)=O)Br,0.0
73054,CO-ADD:0235075,-5.63,c1(c(Br)cc(cc1\C=N\NC(COc(cc2)ccc2Cl)=O)Br)OC(=O)c3cccc(C)c3,0.0
73055,CO-ADD:0232705,-5.63,c1(\C(\CCC2)=N\Cc3ccccc3)c2c4c(ccc(c4)[N+](=O)[O-])[nH]1,0.0
73056,CO-ADD:0223377,-5.63,c1(\C=N\NC(=O)c2ccc(cc2)N)c(cccc1F)Cl,0.0
73057,CO-ADD:0235054,-5.63,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Br)cc3[N+](=O)[O-])c3O)c4c(O)cc(c5c4)cccc5,0.0
73058,CO-ADD:0232213,-5.64,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(COc3cccc(C)c3)=O,0.0
73059,CO-ADD:0235730,-5.64,N1(c(cc2)ccc2C(OCC)=O)C(=O)c3c(cc(c(Cl)c3)Cl)C1=O,0.0
73060,CO-ADD:0232514,-5.64,C(c1ccccc1)(=O)Oc2cc(ccc2OC(c3ccccc3)=O)\C=N\NC(COc(ccc(c4C)C)c4)=O,0.0
73061,CO-ADD:0248378,-5.64,ClC1=CC=C(N(C)C(C2=CSC=N2)=N3)C3=C1,0.0
73062,CO-ADD:0223589,-5.64,C12(CCCCC1)OC(CC2C(CBr)=O)=O,0.0
73063,CO-ADD:0223704,-5.64,N(c1ccccc1OC)C(COc(cc2)ccc2Cl)=O,0.0
73064,CO-ADD:0223156,-5.64,C(=C\c1cc(OC)ccc1OC)(/C(=O)NN2c3ccc(c(C)c3)C)\C2=O,0.0
73065,CO-ADD:0230338,-5.64,c1(c2ccccc2)nc([nH]c1c3ccccc3)SCC(=O)Nc4ccccc4c5ccccc5,0.0
73066,CO-ADD:0228633,-5.64,n1(nnc(C)c1C(=O)N\N=C\c2cc(OC)ccc2O)c3nonc3N,0.0
73067,CO-ADD:0230129,-5.64,c1(c(ccc(c1)[N+](=O)[O-])Oc2ccc(cc2OC)\C=N\N=C(\c3ccccc3)/c4ccccc4)[N+](=O)[O-],0.0
73068,CO-ADD:0228909,-5.64,C(=N\NC(=O)Cc1ccc(c(cccc2)c12)Br)(/C3=O)\c(cc(Br)cc4Br)c4N3,0.0
73069,CO-ADD:0228635,-5.64,n1(nnc(C)c1C(=O)N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-])c3nonc3N,0.0
73070,CO-ADD:0230282,-5.64,C(c1ccccc1)(=O)NC(CCC(OC)=O)C(OC)=O,0.0
73071,CO-ADD:0232439,-5.64,c1(c(O)c(\C=N\c(cc2)c(OC)cc2c3ccc(c(OC)c3)\N=C\c(c(C)c(Cl)c(c4[N+](=O)[O-])C)c4O)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
73072,CO-ADD:0232215,-5.64,c1(\C=N\c(cc2)ccc2Cc(cc3)ccc3\N=C\c4c(O)c(OC)cc(Br)c4Br)c(O)c(OC)cc(Br)c1Br,0.0
73073,CO-ADD:0228824,-5.64,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3c4ccc(cc4)N\C=C(\C(C)=NN5c6cccc(Cl)c6)/C5=O,0.0
73074,CO-ADD:0222867,-5.64,C(=O)(c1ccc(cc1)Cl)Nc2c(Cl)ccc(c2)OC(=O)c3ccc(cc3)Cl,0.0
73075,CO-ADD:0235860,-5.64,N1(c(cc2)ccc2C(OCCCCCCCCCC)=O)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
73076,CO-ADD:0235241,-5.64,N#Cc(cc1)ccc1\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
73077,CO-ADD:0235653,-5.65,C(=O)(C1CCCN1Cc2ccccc2)Nc3c(C)cc(cc3C)C.Cl,0.0
73078,CO-ADD:0232203,-5.65,c1(\C=N\c(ccc(c23)OCCO2)c3)c(O)c(OC)cc(Br)c1Br,0.0
73079,CO-ADD:0235146,-5.65,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Cl)cc3Cl)c3O)c4c(O)cc(c5c4)cccc5,0.0
73080,CO-ADD:0235036,-5.65,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2C(=O)\C=C\c3ccccc3)c4cccc(Br)c4,0.0
73081,CO-ADD:0232772,-5.65,c1(ccccc1OCC(=O)N\N=C\c(ccc(c2O)O)c2)C(=O)N\N=C/c(ccc(c3O)O)c3,0.0
73082,CO-ADD:0230768,-5.65,c1(ccc(cc1OCC=C)OCC=C)\C=N\c(cc2)ccc2Cl,0.0
73083,CO-ADD:0222878,-5.65,N(/c(cc1)ccc1c2ccc(cc2)\N=C\c(ccc(c3O)OC)c3)=C\c(ccc(c4O)OC)c4,0.0
73084,CO-ADD:0235840,-5.65,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2ccccc2C(OCCCC)=O,0.0
73085,CO-ADD:0228380,-5.65,c1(csc(Nc2ccccc2)n1)c3cc(c4o3)cccc4,0.0
73086,CO-ADD:0228748,-5.65,C1(=C2C(=C3)C=CC=C2)C3=Nc(cccc4)c14,0.0
73087,CO-ADD:0228672,-5.65,N1(c2ccccc2OC)C(=O)C3C(C4C=CC3CC4)C1=O,0.0
73088,CO-ADD:0230161,-5.65,[N+](=O)([O-])c1cccc(c1)NC(=O)\C=C\c2ccccc2,0.0
73089,CO-ADD:0230152,-5.65,C(C1)(C2)(CC(CC2CC13)C3)\N=C\c4ccc(cc4Cl)Cl,0.0
73090,CO-ADD:0230268,-5.66,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)c2ccccc2OCc3cccc(Br)c3,0.0
73091,CO-ADD:0223618,-5.66,C(COc1cccc(C)c1)(=O)N\N=C\c2ccccc2Cl,0.0
73092,CO-ADD:0230598,-5.66,N1(CNc2c(C)ccc(Cl)c2)C(=O)\C(\SC1=O)=C\c3ccccc3O,0.0
73093,CO-ADD:0223611,-5.66,s1c(C(C)=O)ccc1C(C)=O,0.0
73094,CO-ADD:0228795,-5.66,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\Nc3ccc(cc3[N+](=O)[O-])OC,0.0
73095,CO-ADD:0228546,-5.66,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)S\C(\N)=N\c3ccccc3,0.0
73096,CO-ADD:0232598,-5.66,C1(C(OCCSc2ccccc2)=O)=C(C)NC(NC1c3ccc(cc3OC)OC)=O,0.0
73097,CO-ADD:0232421,-5.66,N(CC(=O)N\N=C\c(c1)c(N(C)C)ccc1[N+](=O)[O-])(c(cccc2)c23)c(cccc4)c4C3=O,0.0
73098,CO-ADD:0235813,-5.66,c1(C(Br)C(C)(C)CC2=O)c2cnn1c3ccccc3,0.0
73099,CO-ADD:0235903,-5.66,c1(ccccc1C(OCCCCCCCCCC)=O)C(O)=O,0.0
73100,CO-ADD:0235950,-5.66,N#Cc1ccccc1OCC(=O)N\N=C\c(cc2)ccc2O,0.0
73101,CO-ADD:0230264,-5.66,N(=C\c1ccco1)/c2cccc3c2cccc3\N=C\c4ccco4,0.0
73102,CO-ADD:0223592,-5.66,O1C(=O)CC(C#N)C1(C)C,0.0
73103,CO-ADD:0235189,-5.67,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(cc4)ccc4OCc5ccccc5,0.0
73104,CO-ADD:0228054,-5.67,n1c2c(oc1c3ccccc3)ccc(c2)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
73105,CO-ADD:0228917,-5.67,N1(c2ccc(cc2)Oc(ccc(c3C4=O)C(O4)=O)c3)C(=O)c(c(c5C(c6ccccc6)=O)C1=O)cc(c5C(N7c8ccc(cc8)Oc(ccc(c9C%10=O)C(O%10)=O)c9)=O)C7=O,0.0
73106,CO-ADD:0230016,-5.67,c1(NC(=O)c2ccccc2Br)sc(c(C)c1C#N)C,0.0
73107,CO-ADD:0228356,-5.67,N1(C(=O)c2ccc(cc2)F)C(C)(C)C=C(c(cc3C(C)(C(C)C4(C)C)c5c(N4)cccc5)c1cc3)C,0.0
73108,CO-ADD:0223694,-5.67,c(cc1C)(c2c(n1)cccc2)C(=O)N\N=C\c3c(cccc3Cl)Cl,0.0
73109,CO-ADD:0228161,-5.67,c1(\C=N\NC(CNc2cccc(cccc3)c23)=O)cc(OC)ccc1O,0.0
73110,CO-ADD:0228169,-5.67,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3Cl)=N1,0.0
73111,CO-ADD:0228303,-5.67,C1(C2=O)C(C(C=C3)OC13CNS(=O)(=O)c4c(C)cc(cc4C)C)C(N2c5ccc(cc5)Cl)=O,0.0
73112,CO-ADD:0230455,-5.67,c1(scc(c2ccc(c(O)c2)O)n1)NC(N)=N.Cl,0.0
73113,CO-ADD:0235299,-5.67,c1(N(CC)N=Nc2nonc2c3ccccc3)nonc1c4ccccc4,0.0
73114,CO-ADD:0235830,-5.67,N1(c(ccc(c2[N+](=O)[O-])C(O)=O)c2)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
73115,CO-ADD:0235815,-5.67,C1(C(=O)OCC(=O)c(cc2)ccc2[N+](=O)[O-])=Cc3c(OC1=O)cccc3,0.0
73116,CO-ADD:0235636,-5.67,O1C(c2ccccc2)CC(C(C)C1c3ccccc3)=O,0.0
73117,CO-ADD:0232188,-5.67,c1(\C=N\c(ccc(c23)oc(c4ccc(c(Cl)c4)Cl)n2)c3)c(O)c(OC)cc(Br)c1Br,0.0
73118,CO-ADD:0235961,-5.67,c1(ccc(cc1Cl)Cl)C(=O)Oc2ccccc2\C=N\c3ccc(cc3C)C,0.0
73119,CO-ADD:0230247,-5.68,C(=O)(N\N=C\c1cccc(Br)c1)c(cccc2C(=O)N\N=C\c3cccc(Br)c3)c2,0.0
73120,CO-ADD:0228779,-5.68,[N+](=O)([O-])c1c(Br)ccc(c1)C(=O)Oc(cc2)ccc2c3ccc(cc3)OC(=O)c(ccc(c4[N+](=O)[O-])Br)c4,0.0
73121,CO-ADD:0232016,-5.68,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
73122,CO-ADD:0230431,-5.68,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cc3)ccc3C,0.0
73123,CO-ADD:0232239,-5.68,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
73124,CO-ADD:0228057,-5.68,c1(\C=N\NC(CNc2ccccc2OC)=O)cc(OC)ccc1O,0.0
73125,CO-ADD:0235831,-5.68,C(=O)(OCC(=O)c1ccc(cc1)Br)c2cccc(c(cc3)ccc3C(=O)OCC(=O)c4ccc(cc4)Br)c2,0.0
73126,CO-ADD:0223638,-5.68,c1(\C=N\NC(COc(cc2)ccc2OCc3ccccc3)=O)cc(Br)ccc1OCC,0.0
73127,CO-ADD:0228165,-5.68,N(=C(/C)\c1ccccc1)/NC(CNc2ccc(cc2Br)Cl)=O,0.0
73128,CO-ADD:0228487,-5.68,N1(\N=C\C=C\c(ccc2[N+](=O)[O-])o2)C(=S)SC(C)(C)C1N(O)C(=O)NC3CCCCC3,0.0
73129,CO-ADD:0235826,-5.68,N1(c2cccc(cccc3)c23)C(=O)c4c(cc(cc4)Oc(cc5)ccc5[N+](=O)[O-])C1=O,0.0
73130,CO-ADD:0235796,-5.68,C(=O)(N\N=C(/C)\CC(=O)Nc1cc(C)ccn1)c2cc(OC)cc(OC)c2,0.0
73131,CO-ADD:0222933,-5.68,c1(\C=N\NC(=O)c2ccc(cc2)Br)cc(Br)ccc1OC,0.0
73132,CO-ADD:0222921,-5.68,C(=O)(Oc(cc1)ccc1C(C)=O)c2ccccc2C,0.0
73133,CO-ADD:0235601,-5.68,n1(c2cc(C)ccc2OC(=O)c3ccc(cc3)COc(cc4)ccc4OC)nc(c5n1)cccc5,0.0
73134,CO-ADD:0235605,-5.68,C(=O)(Nc(cc1)ccc1C)C(CC(C(C)(C)C)CC2C(C)(C)C)C2,0.0
73135,CO-ADD:0228723,-5.68,c(cc(C(OCC)=O)c(n1)C)(c12)\C(=N\C3CCCCC3)\c4c2cccc4,0.0
73136,CO-ADD:0232020,-5.68,c1(oc(c2n1)cccc2)c3cc(ccc3O)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br,0.0
73137,CO-ADD:0223065,-5.69,C(NCCCCc1ccccc1)(=O)Nc(cc2)ccc2OCCCCCCCCCC,0.0
73138,CO-ADD:0223058,-5.69,C(NCCC(c1ccccc1)c2ccccc2)(=O)Nc(cc3)ccc3OCCCCCCCCCC,0.0
73139,CO-ADD:0230590,-5.69,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\c(cc2)ccc2OC(F)(F)C([H])(F)F)Br,0.0
73140,CO-ADD:0232492,-5.69,c(\C=N\c(cc1)ccc1Br)(c(C)c2Cl)c(O)c(c2C)Br,0.0
73141,CO-ADD:0230394,-5.69,N1(c(cccc2N3C(=O)c4c(cc(cc4)Oc(cc5)ccc5[N+](=O)[O-])C3=O)n2)C(=O)c6c(cc(cc6)Oc(cc7)ccc7[N+](=O)[O-])C1=O,0.0
73142,CO-ADD:0228480,-5.69,N1(\N=C\c2ccco2)C(=S)SC(C)(C)C1N(O)C(NC)=O,0.0
73143,CO-ADD:0230066,-5.69,N1(C[P+](c2ccccc2)(c3ccccc3)CN4C(=O)c5c(cccc5)C4=O)C(=O)c6c(cccc6)C1=O.[Cl-],0.0
73144,CO-ADD:0230094,-5.69,C(C)(NCCOc(cc1)ccc1C)=O,0.0
73145,CO-ADD:0228118,-5.69,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNc2cccc(cccc3)c23)=O)c(cc4OC)cc(c4OC)OC,0.0
73146,CO-ADD:0223395,-5.69,C(=O)(Nc(cc1)ccc1CC)C(NCCc(cc2)ccc2Cl)=O,0.0
73147,CO-ADD:0235669,-5.69,C(F)(F)(C(=O)Nc(cc1)ccc1NC(=O)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)OC(F)(F)F,0.0
73148,CO-ADD:0232523,-5.69,c(c(O)ccc1C(O)=O)(c1)\C=N\c(cc2)ccc2C(OCC)=O,0.0
73149,CO-ADD:0235136,-5.69,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
73151,CO-ADD:0232349,-5.7,C1(C(=O)Nc2ccccc2)=Cc(cccc3CC=C)c3OC1=O,0.0
73152,CO-ADD:0232401,-5.7,c(CC(NC(OCc1ccccc1)=O)C(=O)NC(CO)C(OC)=O)(c2c([nH]3)cccc2)c3,0.0
73153,CO-ADD:0230591,-5.7,C(=O)(c1ccc(cc1)F)N\N=C(/CCCCCCCCCC2)\C2,0.0
73154,CO-ADD:0230003,-5.7,C(F)(F)(F)c(ccc(c1NC(=O)C\C(\C)=N\NC(=O)c2cc(OC)cc(OC)c2)Cl)c1,0.0
73155,CO-ADD:0228888,-5.7,C(F)(F)(F)C(=O)Nc(cc1)ccc1C(C)(C)c(cc2)ccc2NC(=O)C(F)(F)F,0.0
73156,CO-ADD:0223380,-5.7,N1(C)C(=O)c2c(c3C1=O)c(ccc2)c(cc3)N\C=C(\C(C)=NN4c5ccccc5)/C4=O,0.0
73157,CO-ADD:0235397,-5.7,C(=C(\C(OCC)=O)/C(OCC)=O)(/N\C(=C(/C(OCC)=O)\C(OCC)=O)\N\C\1=C(/C(OCC)=O)\C(OCC)=O)\N1,0.0
73158,CO-ADD:0223792,-5.7,c(C(C)(C)C)(cc(c1ccccc1)cc2C(C)(C)C)c2O,0.0
73159,CO-ADD:0235471,-5.7,C(c1ccccc1)(=O)NC(CSCc2ccccc2)C(=O)OCC(=O)Nc3cccc(cccc4)c34,0.0
73160,CO-ADD:0235400,-5.7,c12n(ncn1N)c(nn2)SCC(=O)N(CC3)CCN3C(=O)CSc4nnc5n4ncn5N,0.0
73161,CO-ADD:0223008,-5.7,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(=O)NCc2ccco2,0.0
73162,CO-ADD:0222978,-5.7,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)NCC2CCCO2,0.0
73163,CO-ADD:0235761,-5.7,n1(c2cc(C)ccc2OS(=O)(=O)c3ccc(cc3)NC(OC)=O)nc(c4n1)cccc4,0.0
73164,CO-ADD:0235119,-5.7,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(COc(ccc(c3C)C)c3)=O,0.0
73165,CO-ADD:0228040,-5.7,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
73166,CO-ADD:0230310,-5.71,c1(c2ccccc2)cc(c3[nH]1)cccc3,0.0
73167,CO-ADD:0232639,-5.71,[N+](=O)([O-])c1ccc(cc1)\C=C\C(=O)Nc2ccc(cn2)Br,0.0
73168,CO-ADD:0223199,-5.71,c1(OCC(=O)N\N=C\c2cc(Cl)ccc2OC)c(Br)cc(cc1Br)Br,0.0
73169,CO-ADD:0228347,-5.71,C12(OCCO1)c3c(N(CC)C2=O)cccc3,0.0
73170,CO-ADD:0223770,-5.71,C12C(NC(=O)N1CC(CBr)Br)N(CCN2S(C)(=O)=O)S(C)(=O)=O,0.0
73171,CO-ADD:0223338,-5.71,c1(N=Nc(ccc(c2\C=N\c3cc(C)ccc3O)O)c2)c(C)non1,0.0
73172,CO-ADD:0232117,-5.71,C(=O)(NCC(=O)N\N=C\c1cc(Br)ccc1O)c2ccco2,0.0
73173,CO-ADD:0232102,-5.71,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C(/C)\c2ccc(c3c2)CCCC3,0.0
73174,CO-ADD:0232307,-5.71,c1(c2c(s3)CCCC2)c3N=C(C)N(N)C1=O,0.0
73175,CO-ADD:0235235,-5.71,c1(ccc(\C=N\c(cc2)ccc2N(CC)CC)s1)[N+](=O)[O-],0.0
73176,CO-ADD:0223747,-5.71,C(=O)(N\N=C\c1ccc(Br)s1)C(C)Oc2cccc(Cl)c2,0.0
73177,CO-ADD:0230289,-5.71,N(=C(/C)\CC(=O)NNC(COc(ccc(c12)cccc1)c2)=O)/c3ccccc3C,0.0
73178,CO-ADD:0223457,-5.71,[N+](=O)([O-])c(cccc1C(=O)N\N=C(/C)\C2CC2)c1,0.0
73179,CO-ADD:0223293,-5.71,C(=O)(c(cc1)ccc1C(=O)Nc2ccc(cc2Cl)\N=C\c3ccccc3)Nc4ccc(cc4Cl)\N=C\c5ccccc5,0.0
73180,CO-ADD:0231884,-5.71,c1(oc(c2n1)cccc2)c3cc(ccc3O)\N=C\c(cccc4OC(=O)c(c5)cc(cc5[N+](=O)[O-])[N+](=O)[O-])c4,0.0
73181,CO-ADD:0230498,-5.71,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(CCCc(ccc(c2C)OC)c2)=O,0.0
73182,CO-ADD:0223304,-5.71,S(=O)(=O)(c1ccc(cc1)Cl)CC(C)=O,0.0
73183,CO-ADD:0223029,-5.71,N(c1c(C)cccc1C)C(=O)C(NCCCC)=O,0.0
73184,CO-ADD:0235259,-5.72,N1(C=C(C)C(NC1=O)=O)C2CC(C(CO)O2)OC(C(C)C)=O,0.0
73185,CO-ADD:0232015,-5.72,[N+](=O)([O-])c(cc1\C=N\NC(c(cc2)ccn2)=O)cc(c1OC(c3ccccc3)=O)Br,0.0
73186,CO-ADD:0231995,-5.72,c1([Ge](CC)(CC)CC)nn[nH]c1CNc2ccccc2,0.0
73187,CO-ADD:0232811,-5.72,N1(\N=C(/CCCC2)\C2)C(=O)c3c(c4C1=O)c(c5cc3)c(cc4)CC5,0.0
73188,CO-ADD:0228713,-5.72,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)Nc(cc3)ccc3OC,0.0
73189,CO-ADD:0228271,-5.72,c1(csc(Nc(cc2)ccc2C)n1)C3(C)CC(C(=O)O3)CCC.Br,0.0
73190,CO-ADD:0230567,-5.72,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)Nc2cccc(C)c2,0.0
73191,CO-ADD:0230888,-5.72,C(=C/c(cc1)ccc1[N+](=O)[O-])(/c2c3ccc(c2)[N+](=O)[O-])\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c34,0.0
73192,CO-ADD:0230228,-5.72,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c(cc3OC)cc(c3O)I)c2,0.0
73193,CO-ADD:0228931,-5.72,C(=O)(Nc1cccc(Br)c1)C(NCCc(ccc(c2OC)OC)c2)=O,0.0
73194,CO-ADD:0232192,-5.72,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(=O)c(ccc(n3)C)c3)Br,0.0
73195,CO-ADD:0232111,-5.72,c1(cc(n[nH]1)C)C(=O)N\N=C\c2cccc(C)c2O,0.0
73196,CO-ADD:0235678,-5.72,C1(C(=O)Nc(ccc(c23)cccc2)c3)CC1c4ccccc4,0.0
73197,CO-ADD:0235923,-5.72,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(ccc(c2C)C)c2)c3ccc(cc3C)Cl,0.0
73198,CO-ADD:0232011,-5.72,[N+](=O)([O-])c(cc1\C=N/NC(=O)\C(=C\c(ccc(c23)OCO2)c3)\NC(c4ccccc4)=O)cc(c1OC(c5ccccc5)=O)Br,0.0
73199,CO-ADD:0232321,-5.72,c1(N\N=C\c(cc2)ccc2F)c(Cl)c(Cl)c(c(Cl)n1)C#N,0.0
73200,CO-ADD:0232257,-5.72,c1(N2CCCCCC2)nc(N\N=C/c(ccc(c3Cl)Cl)c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
73201,CO-ADD:0230543,-5.72,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1CC)C(=O)Nc(cc2)ccc2CC,0.0
73202,CO-ADD:0223739,-5.72,c1(\C=N\NC(COc2cc(C)ccc2C(C)C)=O)c(ccc(cccc3)c13)OCc4cccc(Br)c4,0.0
73203,CO-ADD:0223726,-5.72,C(=O)(N\N=C\c(cc1)ccc1OCCCC)c2ccc(cc2)OCc3cccc(OC)c3,0.0
73204,CO-ADD:0230398,-5.72,N(c1ccccc1OC)(C(=O)C(C23)C(C=C4)OC24C)C3=O,0.0
73205,CO-ADD:0223627,-5.72,c1(OC(C)=O)cc(ccc1\C=N\NC(COc2cccc(Br)c2)=O)OC(C)=O,0.0
73206,CO-ADD:0228749,-5.72,C(/c1c2cccc1)(\c(cccn3)c23)=N\c4ccccc4C,0.0
73207,CO-ADD:0230229,-5.72,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c(cc3)ccc3C#N)c2,0.0
73208,CO-ADD:0228077,-5.72,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)c(cc4OC)cc(c4OC)OC,0.0
73209,CO-ADD:0223440,-5.72,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C\C=C\c2ccccc2,0.0
73210,CO-ADD:0223797,-5.73,C(O)(=O)c(cc1)ccc1C2CCC(CC2)CCCCC,0.0
73211,CO-ADD:0228104,-5.73,N(\C(=C/c(cc1)ccc1C(C)C)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])Cl)c3,0.0
73212,CO-ADD:0235662,-5.73,c1(NC(Cc2ccccc2)=O)c3c(cccc3)nc(CCC4)c14,0.0
73213,CO-ADD:0232193,-5.73,C(=O)(Oc1ccc(cc1OC)\C=N\NC(c(cc2)ccn2)=O)c3ccccc3Br,0.0
73214,CO-ADD:0232556,-5.73,C(C(=O)OCc1ccccc1)(=C(C)NC(=C23)CC(CC2(C)C)=O)C3c4cccc(I)c4,0.0
73215,CO-ADD:0235646,-5.73,C12(CC(CC3C1)CC(C3)C2)C(=O)Nc(cc4C)c5c(n4)cccc5,0.0
73216,CO-ADD:0223297,-5.73,C(=N\NC(N)=S)(/c1c2cccc1)\c3c2cccc3,0.0
73217,CO-ADD:0232409,-5.73,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(ccc(c23)c4c(cccc4)o2)c3,0.0
73218,CO-ADD:0235062,-5.73,C(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\c(cccc3C(=O)c4ccc(cc4)F)c3,0.0
73219,CO-ADD:0235409,-5.73,n([C@H]1C(=O)C=C(C[C@@H]1c2cccs2)c3ccccc3)(nnc4[N+](=O)[O-])n4,0.0
73220,CO-ADD:0235759,-5.74,C1(=S)NC(C)(C)C=C(C)N1c2ccccc2OS(=O)(=O)c3ccc(cc3)C,0.0
73221,CO-ADD:0222919,-5.74,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc(cc2)ccc2C,0.0
73222,CO-ADD:0232154,-5.74,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(COc3ccc(cc3Br)OC)=O,0.0
73223,CO-ADD:0230751,-5.74,N(=C(/C)\c1ccc(cc1)CC)/NC(COc2ccc(cc2Br)Cl)=O,0.0
73224,CO-ADD:0230514,-5.74,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(ccc(c2OC)OCc3ccccc3)c2,0.0
73225,CO-ADD:0223801,-5.74,C(O)(C1=O)=C(C(C)(C)C)C(C=C1C(C)(C)C)=O,0.0
73226,CO-ADD:0230106,-5.74,C(COc(cc1)ccc1OCCCCCCCC)(=O)N\N=C\c(cc2)ccc2I,0.0
73227,CO-ADD:0223161,-5.74,N(/NC(CNC(=O)c1cccc(F)c1)=O)=C(\c2ccccc2)/CC(C)C,0.0
73228,CO-ADD:0223196,-5.74,c1(c(\C=N\NC(COc2ccccc2[N+](=O)[O-])=O)ccc(O)c1OC)[N+](=O)[O-],0.0
73229,CO-ADD:0223730,-5.74,C(=O)(N\N=C\c1ccccc1Br)c2ccc(cc2)OCc3cccc(OC)c3,0.0
73230,CO-ADD:0228686,-5.74,C1(=S)NC(C)(C)C=C(C)N1c(cc2)ccc2C(=O)\C=C\c(cccc3[N+](=O)[O-])c3,0.0
73231,CO-ADD:0228847,-5.74,C12(CC(CC(C3)C1)CC3C2)c(c4)nc(c5c4C(=O)OC(C)C)ccc(Br)c5,0.0
73232,CO-ADD:0228445,-5.74,c1(SCc(c(C)c2C)c(C)c(c2Br)C)sc(c3n1)cccc3,0.0
73233,CO-ADD:0232507,-5.74,n1c2c(oc1c3ccc(cc3)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br)cc(C)c(C)c2,0.0
73234,CO-ADD:0228885,-5.74,c1(O)c(cc(cc1C(C)(C)C)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br)C(C)(C)C,0.0
73235,CO-ADD:0223455,-5.74,[N+](=O)([O-])c1ccc(cc1)COC(=O)c2cccc(C)c2,0.0
73236,CO-ADD:0231932,-5.74,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(cc3)ccc3N(CCC)CCC,0.0
73237,CO-ADD:0235928,-5.74,C1(=C(O)CC(C)(C)CC1=O)C(c2ccc(c(OC)c2)OCC(OCC)=O)C3C(=O)CC(CC3=O)(C)C,0.0
73238,CO-ADD:0232164,-5.74,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)c3cccc(Br)c3,0.0
73239,CO-ADD:0232558,-5.74,n1(CC(O)CN2CCCCC2)c3c(c(cccc4)c14)cccc3,0.0
73240,CO-ADD:0232551,-5.74,c1(C(C)=O)coc(ccc(OCC(OC)=O)c2)c12,0.0
73241,CO-ADD:0230702,-5.74,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc(c2OC)OCC=C)c2)c3ccc(cc3C)C,0.0
73242,CO-ADD:0235199,-5.74,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c(cc4)ccc4OCc5ccccc5,0.0
73243,CO-ADD:0235178,-5.75,n1c2c(oc1c3ccc(cc3)C)ccc(c2)\N=C\c(cc4)ccc4C(OC)=O,0.0
73244,CO-ADD:0231892,-5.75,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(c(cc3)ccn3)=O)Br,0.0
73245,CO-ADD:0232316,-5.75,C(/C(=O)c1ccc(cc1)C)=C\C(O)=O,0.0
73246,CO-ADD:0232045,-5.75,N1\C(=N\N=C/c(ccc(c2[N+](=O)[O-])Cl)c2)\S\C(=C\c(cccc3[N+](=O)[O-])c3)\C1=O,0.0
73247,CO-ADD:0232264,-5.75,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(cccc2C(O)=O)c2,0.0
73248,CO-ADD:0223111,-5.75,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc2c(C)cccc2C)=O)O,0.0
73249,CO-ADD:0223543,-5.75,n1(c2)c(cccc1)cc2c3ccc(cc3)OC,0.0
73250,CO-ADD:0228791,-5.75,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3[N+](=O)[O-])[N+](=O)[O-])c3,0.0
73251,CO-ADD:0228444,-5.75,N1(C(c2ccc(cc2)F)CC(c(cccc3[N+](=O)[O-])c3)=N1)c4scc(c5ccc(cc5)Br)n4.Br,0.0
73252,CO-ADD:0223727,-5.75,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c2cc(Br)ccc2OCC,0.0
73253,CO-ADD:0235490,-5.75,N1(C(c2ccc(c(OC)c2)OC)CC(c3ccc(cc3)Cl)=N1)c4scc(c5ccc(cc5)C)n4.Br,0.0
73254,CO-ADD:0228154,-5.75,C(CNc1ccc(cc1Br)Br)(=O)N\N=C\c(cc2)ccc2F,0.0
73255,CO-ADD:0230863,-5.75,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])\C(\c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c23)=C\OCCCCCCCCCCCC,0.0
73256,CO-ADD:0230159,-5.75,N1(c2ccccc2)C(c3ccccc3)CC(C)=N1,0.0
73257,CO-ADD:0230215,-5.75,c1(ccccc1NC(=O)c2ccc(cc2)OC)C(=O)N\N=C\c3ccc(cc3Cl)Cl,0.0
73258,CO-ADD:0230084,-5.76,N1C(=O)NC=C(I)C1=O,0.0
73259,CO-ADD:0230056,-5.76,N1(c(cc2)ccc2C(OC)=O)C(=O)c3c(cc(cc3)NC(C)=O)C1=O,0.0
73260,CO-ADD:0230719,-5.76,N(C(c1ccccc1)C(=O)N\N=C(\C)/CC)C(c2ccccc2)=O,0.0
73261,CO-ADD:0230746,-5.76,S(=O)(=O)(c1ccc(cc1)C)NC(Cc(cc2)ccc2OS(=O)(=O)c3ccc(cc3)C)C(=O)N\N=C(/C)\c4ccc(cc4)Br,0.0
73262,CO-ADD:0235934,-5.76,C(C#N)(C1c2cccs2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
73263,CO-ADD:0230690,-5.76,C(=O)(NC(C)(C)C)C\C(\C)=N\NC(COc1ccc(cc1Br)C)=O,0.0
73264,CO-ADD:0230742,-5.76,S(=O)(=O)(c1ccc(cc1)C)NC(Cc(cc2)ccc2OS(=O)(=O)c3ccc(cc3)C)C(=O)N\N=C(/C)\c4ccc(cc4)C,0.0
73265,CO-ADD:0232580,-5.76,S1(=O)(=O)c(cccc2)c2C(NCCOS(=O)(=O)c3ccc(cc3C)C)=N1,0.0
73266,CO-ADD:0222871,-5.76,N(c1c(C)cccc1C)C(=O)c2ccc(cc2)F,0.0
73267,CO-ADD:0235858,-5.76,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(=O)C(c2ccccc2)c3ccccc3,0.0
73268,CO-ADD:0235233,-5.76,c1(ccc(cc1OC)\C=N\c(cc2)ccc2Cl)OC(C)=O,0.0
73269,CO-ADD:0223048,-5.76,C(NCCC1=CCCCC1)(=O)Nc(cc2)ccc2OCCCCCCCCCC,0.0
73270,CO-ADD:0235748,-5.76,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O,0.0
73271,CO-ADD:0223472,-5.76,N(C(c1ccccc1)C(OCCCCCC)=O)C(c2ccccc2)=O,0.0
73272,CO-ADD:0235668,-5.76,c1(c2c(C3=O)cccc2)c3ccc(c1)C(=O)OCC(c4ccccc4)=O,0.0
73273,CO-ADD:0223433,-5.76,C(Cc(cc1)ccc1OC)(=O)N\N=C\C=C/c2ccccc2,0.0
73274,CO-ADD:0230399,-5.76,C(=S)(Oc(cc1)ccc1C(=O)Nc2cccc(C)c2)N(C)c3ccc(c4c3)cccc4,0.0
73275,CO-ADD:0228432,-5.76,N1(C(C)=O)N=C(SC1(C)c2ccc(cc2)OC)NC(C)=O,0.0
73276,CO-ADD:0228804,-5.76,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3,0.0
73277,CO-ADD:0228114,-5.76,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c3ccc(cc3O)C,0.0
73278,CO-ADD:0229949,-5.77,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C\c3ccc(C)o3,0.0
73279,CO-ADD:0223764,-5.77,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(\C)/CCCO)[N+](=O)[O-],0.0
73280,CO-ADD:0228707,-5.77,N1(c2cccc(c2)c3csc(Nc4cccc(OC)c4)n3)C(=O)c(c5C1=O)cccc5.Br,0.0
73281,CO-ADD:0228205,-5.77,S(=O)(=O)(N(CC)CC)c(cccc1C(=O)Nc2sccn2)c1,0.0
73282,CO-ADD:0228190,-5.77,N(CCc(c12)cccc1)(CCC(=O)Nc(cc3)ccc3OCC)C2.Cl,0.0
73283,CO-ADD:0231945,-5.77,C(=O)(c1cccc(Br)c1)Oc2ccc(cc2OC)\C=N\NC(=O)c(ccc(n3)C)c3,0.0
73284,CO-ADD:0230760,-5.77,S(NCCC(=O)N\N=C\c1ccccc1)(=O)(=O)c2ccc(cc2)Cl,0.0
73285,CO-ADD:0222882,-5.77,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(cc2)ccn2)c1,0.0
73286,CO-ADD:0235196,-5.77,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c3ccco3)=O,0.0
73287,CO-ADD:0223005,-5.77,c1(SCC(=O)Nc(ccc(c23)cccc2)c3)ccc(\C=N\NC(CCCCCCC)=O)o1,0.0
73288,CO-ADD:0235447,-5.77,c1(SCC(=O)Nc2cccc(cccc3)c23)sc(c4n1)cccc4,0.0
73289,CO-ADD:0232404,-5.77,[N+](=O)([O-])c(ccc(c1\C=N\Nc2ccccc2C)N(CC(C)C)CC(C)C)c1,0.0
73290,CO-ADD:0232460,-5.77,C(=O)(c1ccc(cc1)Br)Oc2cc(ccc2OC(=O)c3ccc(cc3)Br)\C=N\NC(COc4ccc(cc4Br)OC)=O,0.0
73291,CO-ADD:0232370,-5.77,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)Nc3ccccc3C(O)=O,0.0
73292,CO-ADD:0230715,-5.77,C(CSc(cc1)ccc1Cl)(=O)N\N=C\c(ccc(c2OCC)OCC=C)c2,0.0
73293,CO-ADD:0232205,-5.77,C(=O)(Oc1cccc(c1)\C=N\NC(COc2ccccc2C)=O)c3cccc(Br)c3,0.0
73294,CO-ADD:0235822,-5.77,[n+]1([O-])cc(c2ccc(cc2)OC)nc(Cc3ccccc3)c1N,0.0
73295,CO-ADD:0223085,-5.77,N1=C(N\N=C\c(cc2)ccc2OC)SCC1=O,0.0
73296,CO-ADD:0230635,-5.77,c1(c2ccc(cc2)\N=C\c3cc(OCO4)c4cc3[N+](=O)[O-])sc5c(ccc(C)c5)n1,0.0
73297,CO-ADD:0228790,-5.77,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(cccc3Nc4ccccc4)c3,0.0
73298,CO-ADD:0223100,-5.77,c(\C=N\NC(COc(cc1)ccc1Cl)=O)(cc(Br)cc2Br)c2OC,0.0
73299,CO-ADD:0228490,-5.77,C(=C(/C)\C=C\N(C)C)(/C(=O)N(C)c1c(cccc1)N2C)\C2=O,0.0
73300,CO-ADD:0230204,-5.77,C(=O)(N\N=C\c1cccc(OC)c1)c2ccc(cc2)OCCCCCCCCCC,0.0
73301,CO-ADD:0230281,-5.77,N(=C\c(ccc(c1Br)O)c1)/NC(CCCC(=O)Nc(cc2)ccc2Br)=O,0.0
73302,CO-ADD:0228102,-5.77,c1(OC)c(OC)cc(cc1OC)\C=N\NC(=O)Cc2ccc(c(cccc3)c23)Br,0.0
73303,CO-ADD:0228877,-5.77,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)c(C)cc3C(C)(C)C)=O,0.0
73304,CO-ADD:0228513,-5.78,C1(C#N)(C#N)C(c2cccc(Cl)c2)C3C(C(C#N)=C1N)=CCC(C)C3.[Na+],0.0
73305,CO-ADD:0230664,-5.78,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
73306,CO-ADD:0230594,-5.78,C(=O)(N\N=C\c1ccccc1OCCCCCCC)c(cc2)ccc2N(C)C,0.0
73307,CO-ADD:0235398,-5.78,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C\Nc(cc3)ccc3[N+](=O)[O-],0.0
73308,CO-ADD:0235283,-5.78,c1(nonc1N)N(CC(=O)Nc(cc2)ccc2[N+](=O)[O-])N=Nc3nonc3N,0.0
73309,CO-ADD:0232704,-5.78,c1(\C(\CCC2)=N\NC(=S)Nc3ccccc3)c2c4c(ccc(Br)c4)[nH]1,0.0
73310,CO-ADD:0235733,-5.78,c(c(Br)c1)(c(Br)cc1C(C)(C)c(cc2Br)cc(c2OC(=O)c3ccco3)Br)OC(=O)c4ccco4,0.0
73311,CO-ADD:0235367,-5.78,c1(NC(CCC(=O)OCC(F)(F)C(F)F)=O)sc(c2n1)cccc2,0.0
73312,CO-ADD:0235741,-5.78,C1(=O)N(c2ccccc2)N=CC(N\N=C(\CCC3)/C3)=C1Cl,0.0
73313,CO-ADD:0232165,-5.78,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3cccc(Br)c3,0.0
73314,CO-ADD:0235551,-5.78,c1(OC)cc(C)ccc1OCC(CNCC)O,0.0
73315,CO-ADD:0223043,-5.78,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(ccc2SCC(=O)Nc(ccc(c34)cccc3)c4)o2,0.0
73316,CO-ADD:0235521,-5.78,c1(nc(c2n1CC(=O)N\N=C\c(c3)c(N4CCCCC4)cc(N5CCCCC5)c3[N+](=O)[O-])cccc2)c6nonc6N,0.0
73317,CO-ADD:0235250,-5.78,s1c(\C=N\NC(CCc2ccccc2)=O)ccc1Br,0.0
73318,CO-ADD:0222880,-5.78,N(/c(cc1)ccc1OC)=C\c(cc2)ccn2,0.0
73319,CO-ADD:0287549,-5.78,C(=N/c(cc1)ccc1OCC)(/SC=C2c3ccc(cc3)F)\N2CCCO.Br,0.0
73320,CO-ADD:0291399,-5.78,c12c(ccc(O)c1C(C)O)C=CC(=O)O2,0.0
73321,CO-ADD:0291681,-5.78,c1(NC(=O)CN2CCCCC2)sc(c3c1C#N)CCCC3,0.0
73322,CO-ADD:0291041,-5.79,S(=O)(=O)(c1c(C)ccc(Cl)c1)Oc2c(Br)cc(c(cccn3)c23)Br,0.0
73323,CO-ADD:0288671,-5.79,C(=O)(OC(C)(C)C)N1CCCCC1c(n(Cc2ccco2)c(c3)C)n3,0.0
73324,CO-ADD:0285894,-5.79,c1(SCC(=O)c2ccc(cc2)F)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
73326,CO-ADD:0285400,-5.79,C1(C(=O)c2ccc(cc2)C)=C(O)C(NC1c3ccc(cc3)Cl)=O,0.0
73327,CO-ADD:0285737,-5.79,c1(nc(c2C(OC)=O)CSC(N)=[N+]([H])[H])n2c3c(cccc3)n1Cc4ccccc4.[Br-],0.0
73328,CO-ADD:0285761,-5.79,n1(c2ccccc2)nnnc1SCCSc3nnnn3c4ccccc4,0.0
73329,CO-ADD:0286928,-5.79,C(=O)(c1cccc(Br)c1)N\N=C(/CC2)\CCC2c3ccccc3,0.0
73330,CO-ADD:0286905,-5.79,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(N)(=O)=O)n1)c(c4n2C)cc(cc4)Br,0.0
73331,CO-ADD:0291742,-5.79,N1(c2ccccc2)C(=O)CSC1c3ccc(cc3)C,0.0
73332,CO-ADD:0292007,-5.79,N1(C(=O)c2ccc(cc2)OC)N=C(CC1(O)c3ccc(cc3)Br)C,0.0
73333,CO-ADD:0290553,-5.79,c(cc1Cl)(c2c(n1)cccc2)C(N)=O,0.0
73334,CO-ADD:0290411,-5.79,S(C)(=O)(=O)N(Cc(cc1)ccc1C(=O)Nc(cccc2C(C)=O)c2)c3ccc(c(C)c3)C,0.0
73335,CO-ADD:0290692,-5.79,c1(cc(Br)ccc1O)C(=O)c2cccs2,0.0
73336,CO-ADD:0290396,-5.79,C(=O)(Nc(c1)cc(cc1C(O)=O)C(O)=O)c2ccco2,0.0
73337,CO-ADD:0279002,-5.79,N1(c(cc2)ccc2C(O)=O)C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(/C)\C,0.0
73338,CO-ADD:0278971,-5.79,N1(c2ccc(cc2)Sc(cc3)ccc3[N+](=O)[O-])C(=O)\C(\C=C1c4ccccc4)=C\c(ccc5c(ccc(c6Cl)Cl)c6)o5,0.0
73339,CO-ADD:0284124,-5.79,c12c(c3c(cccc3)o1)N=C(C)OC2=O,0.0
73340,CO-ADD:0279011,-5.79,c1(NC(=O)CCN2C(C)=O)c2cc(cc1[N+](=O)[O-])Br,0.0
73341,CO-ADD:0284886,-5.79,c1(nnc(SCc2ccc(cc2Cl)Cl)s1)NC(=O)c3ccc(cc3)F,0.0
73342,CO-ADD:0283918,-5.79,N1(CN2CCc(c3C2)cccc3)C(=O)CCC1=O,0.0
73343,CO-ADD:0277443,-5.79,c1(C(=O)NNC(Cc2ccccc2)=O)c(Cl)c3c(cccc3)s1,0.0
73344,CO-ADD:0279068,-5.79,C(C(=O)OC(C)(C)C)(=C(C)OC(=C1C#N)N)C1c2cccs2,0.0
73345,CO-ADD:0283500,-5.79,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c5cccc(OC)c5)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
73346,CO-ADD:0278707,-5.79,C(OCC(F)(F)F)(C(OCC)=O)(C(F)(F)F)NC(=O)Nc1sc(c2n1)cccc2,0.0
73347,CO-ADD:0283765,-5.8,C(CN1CCCCC1)#CC2(CCCCC2)O,0.0
73348,CO-ADD:0278660,-5.8,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3OC(=O)c4ccccc4F)=N1,0.0
73349,CO-ADD:0259157,-5.8,S(=O)(=O)(N(CC)CC)c1c(Cl)ccc(c1)C(=O)Nc2ccccc2[N+](=O)[O-],0.0
73350,CO-ADD:0277704,-5.8,N(c(cccc1)c12)=C(CC(=N2)c3cccs3)C(F)(F)F,0.0
73351,CO-ADD:0278146,-5.8,c1(NC(CSc2sc(c3n2)cccc3)=O)n(c4ccccc4)ncc1C(OCC)=O,0.0
73352,CO-ADD:0260048,-5.8,N(c1ccccc1C#N)(C(=O)C(C23)C(C=C4)OC24C)C3=O,0.0
73353,CO-ADD:0277366,-5.8,C(/S\C(\N1c2ccccc2)=N/c3ccccc3)(\C1=O)=C(/Sc(c45)ccc(Cl)c4)\N5C,0.0
73354,CO-ADD:0277862,-5.8,c12c(sc(COC(C)(C)C3)c13)ncn(cnn4)c24,0.0
73355,CO-ADD:0278374,-5.8,C12(O)C(O)(c3c(cccc3)C1=O)NC(=N)N2,0.0
73356,CO-ADD:0259091,-5.8,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc(c5Br)OCC=C)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
73357,CO-ADD:0277466,-5.8,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(c(F)c3)OC)\N2CCc4ccccc4.Br,0.0
73358,CO-ADD:0279049,-5.8,c(C(c1ccc(cc1)OC)C(C#N)C#N)(c(C)[nH]n2)c2O,0.0
73359,CO-ADD:0278433,-5.8,c1(c2ccc(cc2)NC(CSc3nncn3C)=O)[nH]c4c(ccc(c4)NC(CSc5nncn5C)=O)n1,0.0
73360,CO-ADD:0259236,-5.8,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2ccccc2,0.0
73361,CO-ADD:0258025,-5.8,c1(cc(Br)ccc1O)C(=S)N(CC2)CCO2,0.0
73362,CO-ADD:0277619,-5.8,c1(NC(CSCc2ccccc2)=O)nnc(COc(cc3)ccc3Cl)s1,0.0
73363,CO-ADD:0257489,-5.8,C1(C(=O)OC(C)C)=C(C)NC(NC1c2cccc(OCC)c2)=O,0.0
73364,CO-ADD:0277814,-5.8,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc4OCC)cc(c4O)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
73365,CO-ADD:0284724,-5.8,C(=O)(N(CC1)CCN1c(cc2)c(F)cc2[N+](=O)[O-])c3c(C)cc(c(F)c3)F,0.0
73366,CO-ADD:0299348,-5.8,c1(non2)c2nc(NCCc3ccccc3)c(Nc(ccc(c4C)C)c4)n1,0.0
73367,CO-ADD:0299413,-5.81,c1(C2c3ccccc3Cl)c([nH]nc1c(cccc4[N+](=O)[O-])c4)OC(N)=C2C#N,0.0
73368,CO-ADD:0299529,-5.81,s1c(c2ccccc2)nnc1NC(CSc3nc(c4cccs4)cc(C(F)(F)F)c3C#N)=O,0.0
73369,CO-ADD:0285507,-5.81,c1([nH]c(c2n1)cccc2)Sc3sc(c(ccc4[N+](=O)[O-])n3)c4,0.0
73370,CO-ADD:0285193,-5.81,n1c(N2CCCCC2)nc(nc1N3CCCCC3)SC(N)=N.Cl,0.0
73371,CO-ADD:0285217,-5.81,C1(=O)NCCSC1CC(=O)Nc(cc2)ccc2Cl,0.0
73372,CO-ADD:0290678,-5.81,[N+](=O)([O-])c1ccc(cc1OCC)Oc2ccc(cc2Oc(cc3)cc(c3[N+](=O)[O-])OCC)C(F)(F)F,0.0
73373,CO-ADD:0290430,-5.81,c1(C2c(cccn3)c3)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
73374,CO-ADD:0292078,-5.81,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)NC(=O)c(ccc4c5cc(Cl)ccc5Cl)o4,0.0
73375,CO-ADD:0283960,-5.81,N(Cc1ccccc1)(C(c2ccc(cc2)Cl)=NN3CN4CCCCC4)C3=S,0.0
73376,CO-ADD:0283953,-5.81,C1(=NNC(=S)N1C)c2c(O)cc(c3c2)cccc3,0.0
73377,CO-ADD:0278337,-5.81,c1(scc(c2ccc(cc2)F)n1)NC(CCc3ccccc3)=O,0.0
73378,CO-ADD:0278282,-5.81,N1(c2ccccc2)C(=O)\C(=C\c3c(OCC)ccc(cccc4)c34)\C(NC1=S)=O,0.0
73379,CO-ADD:0278593,-5.81,C1(CC1)(C(=O)N(CC)CC)P(c2ccccc2)(c3ccccc3)=O,0.0
73380,CO-ADD:0284813,-5.81,c1(NC(CSc(cc2)ccc2C)=O)nnc(CCS(=O)(=O)c3ccc(cc3)C)s1,0.0
73381,CO-ADD:0283542,-5.81,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)OC)C3c5ccc(c(OCC)c5)O,0.0
73382,CO-ADD:0283550,-5.81,c1(c2c3c(cccc3)c(c(cccc4)c24)Cl)[nH]c(c(c5ccc(cc5)Oc6ccccc6)n1)c7ccc(cc7)Oc8ccccc8,0.0
73383,CO-ADD:0278709,-5.81,C1(c2ccccc2)=C(C1C(=O)Nc3ccccc3OCC)c4ccccc4,0.0
73384,CO-ADD:0283735,-5.82,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(NCCc4ccccc4)=O)c1Br,0.0
73385,CO-ADD:0284695,-5.82,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C/c3ccccc3OCc(cc4)ccc4F,0.0
73386,CO-ADD:0284289,-5.82,c1(ccn(C(=O)COc2ccc(cc2Cl)Cl)n1)[N+](=O)[O-],0.0
73387,CO-ADD:0277850,-5.82,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c5cc(Cl)ccc5OC)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
73388,CO-ADD:0259094,-5.82,c1(cc(OC)cc(cccn2)c12)NC(Cc(ccc(c3OC)OC)c3)=O,0.0
73389,CO-ADD:0278128,-5.82,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
73390,CO-ADD:0259535,-5.82,C1(C(=O)c2ccc(cc2)OCC)=C(O)C(N(c3ccccc3)C1(O)C(OC)=O)=O,0.0
73391,CO-ADD:0258791,-5.82,C1(C(OCCOC)=O)=C(C)NC(NC1c2ccccc2OCC)=O,0.0
73392,CO-ADD:0259183,-5.82,S1C(=S)N(C(C)(C)C1\[N+](\[O-])=C\c(cc2)ccc2S(NC)(=O)=O)C,0.0
73393,CO-ADD:0278075,-5.82,C(/S1)(=N/c2ccccc2Nc(cc3)ccc3Cl)\C(Cl)=NS1,0.0
73394,CO-ADD:0278115,-5.82,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4c(O)ccc(cccc5)c45,0.0
73395,CO-ADD:0260033,-5.82,c1(N2CCCCC2)nc(N\N=C\c(ccc(c3[N+](=O)[O-])N4CCC(CC4)C)c3)nc(Nc(cc5)ccc5F)n1,0.0
73396,CO-ADD:0259994,-5.82,s1c(C2CCCCC2)nnc1NC(C3CCCCC3)=O,0.0
73397,CO-ADD:0258725,-5.82,c1(nnc(COc(cc2)ccc2C(C)(C)C)s1)NC(=O)c3ccco3,0.0
73398,CO-ADD:0300014,-5.83,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3C(OC)=O)n2)Cc4ccc(cc4Cl)F,0.0
73399,CO-ADD:0285089,-5.83,n(n(Cc1ccccc1F)nn2)c2c3ccc(cc3)F,0.0
73400,CO-ADD:0291760,-5.83,n12c(NC(COC)=CC1=O)cc(c3ccc(cc3)Br)n2,0.0
73401,CO-ADD:0285331,-5.83,S1(=O)(=O)c(cccc2)c2C(N(CCc(cc3)ccn3)NC(c4ccccc4)=O)=N1,0.0
73402,CO-ADD:0285051,-5.83,S1(=O)(=O)c(cccc2)c2C(N(C)CC(COc3ccccc3)OC(=O)c4cccc(cccc5)c45)=N1,0.0
73403,CO-ADD:0286452,-5.83,c(C(N)=O)(c(C)nc(c1C#N)SCC(=O)c2ccc(c(O)c2)O)c1CC(C)C,0.0
73404,CO-ADD:0291659,-5.83,c1(ncnc2Cl)c2c3c(CCCC3)s1,0.0
73405,CO-ADD:0289165,-5.83,C(=O)(OC(C)(C)C)N(CCOc(ccc1C(O)=O)c2c1)C2,0.0
73406,CO-ADD:0289015,-5.83,c1(C(=O)Nc2cccc(Cl)c2)sc(nn1)COc(cc3)ccc3C(O)=O,0.0
73407,CO-ADD:0289292,-5.83,C(=O)(N(C)C)C(C)(CCN1)CC1.Cl,0.0
73408,CO-ADD:0289256,-5.83,n1c(C)noc1COC(CC2)CCN2.Cl,0.0
73409,CO-ADD:0288509,-5.83,n(C(C)C)(c(C)cn1)c1CCN.Cl.Cl,0.0
73410,CO-ADD:0299896,-5.83,n1(CC#N)ncnn1,0.0
73411,CO-ADD:0288627,-5.83,C1CN(CC1Cn2c(C3CC3)ncc2C)C(OC(C)(C)C)=O,0.0
73412,CO-ADD:0288723,-5.83,c(c(C)ccc1NC(=O)C(N\N=C\c2ccc([N+](=O)[O-])o2)=S)c1,0.0
73413,CO-ADD:0288539,-5.83,n1(CCC(CC2)CCN2)c(C)cnc1C(C3)CC3,0.0
73414,CO-ADD:0287760,-5.83,C1(CC2)(CCN2C(C)=O)C3=C(CC(C)(C)CC3=O)OC(N)=C1C#N,0.0
73415,CO-ADD:0286224,-5.83,c1(SCC(=O)Nc2cc(on2)C)oc(c3n1)cccc3,0.0
73416,CO-ADD:0287464,-5.83,C12=C(c3c(cccc3)CC14CCCCC4)N=C(N(C)C2=O)SCc5ccccc5,0.0
73417,CO-ADD:0290857,-5.83,C(/N)(\c1ccccn1)=N/OC(=O)c2ccc(c(OC)c2)OC,0.0
73418,CO-ADD:0291017,-5.84,S(=O)(=O)(N(CC1)CCN1c2ccc(cc2)F)c3ccc(c(cccc4)c34)Cl,0.0
73419,CO-ADD:0290937,-5.84,N1(CN2CCC(CC2)Cc3ccccc3)c(cccc4)c4\C(=N\c(cc5)ccc5C(C)C)\C1=O,0.0
73420,CO-ADD:0259138,-5.84,c(C(=O)c(cc1)ccc1[N+](=O)[O-])(sc(c23)nc(c(C#N)c2C(C)C)N)c3N,0.0
73421,CO-ADD:0278689,-5.84,c1(cn(nc1c2ccccc2)Cc(ccc(c3Cl)Cl)c3)C4C5=C(CC(C)(C)CC5=O)OC(CC(C)(C)CC6=O)=C46,0.0
73422,CO-ADD:0283435,-5.84,n1(c2ccccc2)c(SCC(O)=O)nnc1c(cc3)ccc3C(C)(C)C,0.0
73423,CO-ADD:0278698,-5.84,C(/C(C)=NN1c2ccccc2)(=C(\C(OC)=O)/C(F)(F)F)\C1=O,0.0
73424,CO-ADD:0283412,-5.84,n1(c2c(n3)cccc2)c3c(c(C)c(\C=C(/C(=O)NN4c5ccc(c(C)c5)C)\C4=O)c1O)C#N,0.0
73425,CO-ADD:0277900,-5.84,n1(c2c(nn1)cccc2)C(=C(C)OC(=C3C#N)N)C3c4ccccc4,0.0
73426,CO-ADD:0277740,-5.84,C1(C(OCCOC(C)C)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCCC)=O,0.0
73427,CO-ADD:0277702,-5.84,c1(onc(c2ccccc2O)c1)C(F)(F)F,0.0
73428,CO-ADD:0277743,-5.84,n1c(c2ccc(cc2)SC)[nH]c(c3ccccc3)c1c(cc4)ccc4C(c5ccccc5)=O,0.0
73429,CO-ADD:0277856,-5.84,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c5ccccc5OC)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
73430,CO-ADD:0283864,-5.84,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4cc5c(cc4Cl)OCO5,0.0
73431,CO-ADD:0284632,-5.84,c1(c(C)onc1c2ccccc2Cl)C(=O)n3cccn3,0.0
73432,CO-ADD:0284049,-5.85,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cccc3C(F)(F)F)c3)\N2CCc(cc4)ccc4S(N)(=O)=O)N5CCCC5.Br,0.0
73433,CO-ADD:0278481,-5.85,c1(C2c3ccc(cc3)F)c([nH]nc1C(F)(F)F)OC(N)=C2C#N,0.0
73434,CO-ADD:0284034,-5.85,C(/S\C(\C1=O)=C/c2c(C)cc(c(C)c2)C)(=N\C(C)=O)\N1,0.0
73435,CO-ADD:0283715,-5.85,N1C(=O)c2c(cc(cc2)N)C1=O,0.0
73436,CO-ADD:0258864,-5.85,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/C)\c2ccc(cc2)OCCCCCC(C)C)[N+](=O)[O-],0.0
73437,CO-ADD:0258672,-5.85,C1(NC(CSc2sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
73438,CO-ADD:0258896,-5.85,c1(C2=O)c(sc3c1CCC(C3)C(C)(C)C)N=C(SCc(cc4)ccc4F)N2c5ccccc5,0.0
73439,CO-ADD:0278051,-5.85,C(C(O)(c1ccccc1)c2ccccc2)#CC(O)c3ccc(cc3)F,0.0
73440,CO-ADD:0277843,-5.85,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)OC)n(c(c3)c1S(CCC)(=O)=O)ccn3,0.0
73441,CO-ADD:0283064,-5.85,C1(C)(C(C)(C)N(C(=S)S1)C)\[N+](\[O-])=C\c(cc2)ccc2Cl,0.0
73442,CO-ADD:0284060,-5.85,N1(C2c3ccccc3OC)C(S\C(=C\c(cc(n4c5ccc(cc5)F)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
73443,CO-ADD:0283780,-5.85,c1(c2c(OC)ccc(cccc3)c23)nnc(ccc(cccc4)c45)n15,0.0
73444,CO-ADD:0285780,-5.85,c1(c2ccccc2O)nc(c3n1c(c4)cc(c(O)c4C(C)(C)C)C(C)(C)C)cc(c(OC)c3)OC,0.0
73445,CO-ADD:0288846,-5.85,C(C(C(=O)NCC#C)CC1)N1C(=O)OC(C)(C)C,0.0
73446,CO-ADD:0288887,-5.85,c(n1CCNC(Nc2cc(F)cc(F)c2)=O)(nc([N+](=O)[O-])c1C)C,0.0
73447,CO-ADD:0291970,-5.85,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)CN4CCCCC4)cc(cc3C)C,0.0
73448,CO-ADD:0291747,-5.85,C1(c2ccc(cc2C)C)=C\C(\C(=O)O1)=C\c(ccc3[N+](=O)[O-])o3,0.0
73449,CO-ADD:0289236,-5.85,C(=O)(OC(C)(C)C)N1CCC(CC1)C(NN)=O,0.0
73450,CO-ADD:0289065,-5.85,c1(C(=O)Nc2nnc(c3ccccc3)s2)sc(nn1)CCC(O)=O,0.0
73451,CO-ADD:0289081,-5.85,c(C(=O)Nc(cc1)ccc1OC)(nnc2C(OCC)=O)s2,0.0
73452,CO-ADD:0300013,-5.86,n1c(N2CCCCC2)c(Nc(ccc(c3C)C)c3)nc(non4)c14,0.0
73453,CO-ADD:0291363,-5.86,c1(NC(=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)sc(c2c1C(OCC)=O)CCC2,0.0
73454,CO-ADD:0290923,-5.86,c1(C2=O)c(sc(CC(C)CC3)c13)N=C(S)N2c4ccccc4,0.0
73455,CO-ADD:0285711,-5.86,n1(nnc(C(=O)OC(C)C)c1CN(CCCC)CCCC)c2nonc2N,0.0
73456,CO-ADD:0290805,-5.86,c(c1c2ccccc2)(C3c(cc4)ccc4N(CC)CC)c([nH]n1)OC(N)=C3C#N,0.0
73457,CO-ADD:0290713,-5.86,S(=O)(=O)(Oc1c(Cl)cc(c(cccn2)c12)Cl)c3cc(C)c(cc3Cl)Cl,0.0
73458,CO-ADD:0290498,-5.86,c1(cc(C#N)c(cc1Oc(cc2C)cc(c2Cl)C)C#N)[N+](=O)[O-],0.0
73459,CO-ADD:0285214,-5.86,N1(c(cc2)ccc2S(=O)(=O)Nc3nccc(C)n3)C(=O)C(C4C1=O)CCCC4,0.0
73460,CO-ADD:0290675,-5.86,c(c1CC(C)C)(C(=O)SC(=O)c(c2CC(C)C)c(C(F)(F)F)nc(C([H])(F)F)c2C(SC)=O)c(C(F)(F)F)nc(C([H])(F)F)c1C(SC)=O,0.0
73461,CO-ADD:0277609,-5.86,N1(c2ccccc2F)C(=O)C(CC1=O)S\C(\NC)=N\C,0.0
73462,CO-ADD:0277377,-5.86,c1(c2cc(OC)ccc2O)cc([nH]n1)c3ccc(cc3)OC,0.0
73463,CO-ADD:0277370,-5.86,c1(N2CCC(CC2)C)nc(N\N=C\c(c(O)ccc3[N+](=O)[O-])c3)nc(Nc4cccc(C)c4C)n1.CC(=O)O,0.0
73464,CO-ADD:0277763,-5.86,n1(nnc(C(OCC)=O)c1CSc2nc(C)cc(C)n2)c3nonc3N,0.0
73465,CO-ADD:0278004,-5.86,S1(=O)(=O)c(cccc2)c2C(=NN3C(=O)c4cccc(cccc5)c45)N1C3N(C)C,0.0
73466,CO-ADD:0259368,-5.86,c1(OC(N)=C(C2c3ccc(c(Cl)c3)Cl)C#N)c2c(n[nH]1)CCC,0.0
73467,CO-ADD:0283747,-5.86,[n+]1(CC)c2c(n(CC)c1C)ccc(c2)S(=O)(=O)Nc3ccccc3.S(=O)(=O)([O-])c4ccc(cc4)C,0.0
73468,CO-ADD:0283476,-5.86,n1ncn(CC(=O)[O-])n1.[K+],0.0
73469,CO-ADD:0283446,-5.86,c1(SCC(=O)Nc(cc2)ccc2OC)sc3c(ccc(c3)NC(=O)c4ccccc4F)n1,0.0
73470,CO-ADD:0283470,-5.86,c1(c(cccc1[N+](=O)[O-])[nH]n2)n2,0.0
73471,CO-ADD:0283720,-5.86,c1(C(C)C)c(O)cc(c(N)c1)C.Cl,0.0
73472,CO-ADD:0277623,-5.86,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(OCc3ccccc3)=O)C2c4ccccc4Cl,0.0
73473,CO-ADD:0277367,-5.86,c1(C(=O)Oc(cccc2\C=C(\C#N)/C#N)c2)nn(cc1Br)C,0.0
73474,CO-ADD:0277953,-5.86,N1(C2c3ccccc3)C(S\C(=C\c4c5c([nH]c4C)cccc5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
73475,CO-ADD:0260175,-5.86,N1(CN2CCC(CC2)C)N=C(N(C)C1=S)COc(ccc(c3C)C)c3,0.0
73476,CO-ADD:0259312,-5.87,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3sccc3C)c4sc(c5c4C#N)CCCCC5,0.0
73477,CO-ADD:0259506,-5.87,C(=O)(c1cccc(C)c1)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3OC,0.0
73478,CO-ADD:0277354,-5.87,C(C#N)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc(cc5)ccc5[N+](=O)[O-])C24,0.0
73479,CO-ADD:0257224,-5.87,N1(CCc2ccccc2)C(=O)C(CC1=O)NCCc(cc3)ccc3OC,0.0
73480,CO-ADD:0259191,-5.87,S1C(=S)N(C(C)(C)C1\[N+](\[O-])=C\c2c(cccc2Cl)F)C,0.0
73481,CO-ADD:0258110,-5.87,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(ccc(c3OC)OCc4cccc(cccc5)c45)c3)\N2,0.0
73482,CO-ADD:0279212,-5.87,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)S\C(\NCCc(ccc(c3OC)OC)c3)=N\c(cc4)ccc4F,0.0
73483,CO-ADD:0283205,-5.87,c1(N2CCCCC2)nnc(c3ccccc3N)o1,0.0
73484,CO-ADD:0278659,-5.87,S1(=O)(=O)c(cccc2)c2C(=NN3C(=O)c4ccccc4Br)N1C3N(C)C,0.0
73485,CO-ADD:0259675,-5.87,N1(C=C(C)C(NC1=O)=O)c2c(c3ccccc3)oc(c4ccccc4)n2,0.0
73486,CO-ADD:0289356,-5.87,c(C(OC)=O)(c1C)[nH]c(c1CNC(C)C)C.Cl,0.0
73487,CO-ADD:0288889,-5.87,c1(nc(c(n1CCNC(C(F)(F)F)=O)C)[N+](=O)[O-])C2CCC2,0.0
73488,CO-ADD:0288446,-5.87,n(CCOC)(c(C)cn1)c1CCN.Cl.Cl,0.0
73489,CO-ADD:0289245,-5.87,C(=O)(c1ccc(CC(CC2)CCN2)cc1)N3CCCC3.Cl,0.0
73490,CO-ADD:0288891,-5.87,c(n1CCC)(nc([N+](=O)[O-])c1C)C,0.0
73491,CO-ADD:0289382,-5.88,N1(CC)C(=O)N(N=C1C(CCCN2)C2)C.Cl,0.0
73492,CO-ADD:0137564,-5.88,CN1C=C(NC(C2=CC=C(/C=C/C3=CN=C(C=CC=C4)C4=C3)C=C2)=O)C=C1C(NC5=CN(C)C(C(N6CCC(OCCOC)CC6)=O)=C5)=O,0.0
73493,CO-ADD:0259410,-5.88,N(c1c(Cl)cc(c(Cl)c1)Cl)(S(=O)(=O)c2ccccc2Cl)S(=O)(=O)c3ccccc3Cl,0.0
73494,CO-ADD:0259954,-5.88,S(=O)(=O)(N1CCCCCC1)c2c(Cl)ccc(c2)C(=O)Nc(cccc3C(O)=O)c3,0.0
73495,CO-ADD:0260074,-5.88,c1(C(=O)\C=C(/Nc2c(O3)cccc2)\C3=O)c(F)c(F)c(c(F)c1F)OC,0.0
73496,CO-ADD:0259492,-5.88,N1(CN(CC2C)CC(O2)C)c(cccc3)c3\C(=N\c(ccc(c4C)C)c4)\C1=O,0.0
73497,CO-ADD:0259548,-5.88,n12c(S\C(=C\c(cn(n3)C(C)=O)c3c4ccccc4)\C1=O)nc(cc(C)c(C)c5)c25,0.0
73498,CO-ADD:0259469,-5.88,C1(=C(C)N(N(c2ccccc2)C1=O)C)N(C3c(cccc4[N+](=O)[O-])c4)C(=O)C(=C3C(=O)c5ccc(cc5)OC)O,0.0
73499,CO-ADD:0283528,-5.88,N1(c2ccccc2)C(=O)CC(N3CCCCC3CC)C1=O,0.0
73500,CO-ADD:0278727,-5.88,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
73501,CO-ADD:0283538,-5.88,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4ccc(c5c4)OCO5,0.0
73502,CO-ADD:0283472,-5.88,S(Cl)(=O)(=O)c(ccc(c1[N+](=O)[O-])C)c1,0.0
73503,CO-ADD:0278223,-5.88,N1(CN(CC2)CCN2c(cc3)ccc3[N+](=O)[O-])c(cccc4)c4\C(=N/c(cc5)ccc5OCCCCC)\C1=O,0.0
73504,CO-ADD:0278767,-5.88,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)\N=C\c4c(cccc4Cl)F)n1,0.0
73505,CO-ADD:0259514,-5.88,C(=O)(NC1CC1)C(=O)NCc(ccc(c23)OCO2)c3,0.0
73506,CO-ADD:0259338,-5.88,n1(cc(n2)c3ccc(c(O)c3)O)c2ccc(C)c1.Cl,0.0
73507,CO-ADD:0259602,-5.88,c1(SCc(cc2)ccc2I)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
73508,CO-ADD:0259463,-5.88,C1(=C(C)N(N(c2ccccc2)C1=O)C)N(C3c4ccc(cc4)Br)C(=O)C(=C3C(=O)c5ccc(cc5)OC)O,0.0
73509,CO-ADD:0259316,-5.88,c1(OC(=O)C=C2C)c2cc(CC)c(OC(C)=O)c1,0.0
73510,CO-ADD:0259277,-5.88,C(C(C#N)C#N)(C#N)(C#N)C1CCCCC1=O,0.0
73511,CO-ADD:0257641,-5.89,C(=CNC(N1)=O)(NC(=O)c2ccc(cc2)Oc(cccc3C(=O)NC(=CNC(N4)=O)C4=O)c3)C1=O,0.0
73512,CO-ADD:0257586,-5.89,n12c(S\C(=C/c(cc3)ccc3Br)\C1=O)nnc2c4ccccc4,0.0
73514,CO-ADD:0258723,-5.89,C(=C\c(ccc1Sc2sc3c(ccc(OCC)c3)n2)o1)(/C(=O)NC(N4)=S)\C4=O,0.0
73515,CO-ADD:0283110,-5.89,C12(c3c(cccc3)C(C(C1C4=O)C(N4c5ccc(cc5)OCC)=O)c(cccc6)c26)[N+](=O)[O-],0.0
73516,CO-ADD:0283878,-5.89,C(C(=O)OC1CCCCC1)(C2c3ccc(cc3)F)=C(C)NC(CC(c4ccc(cc4)Cl)CC5=O)=C25,0.0
73517,CO-ADD:0288600,-5.89,C(OC(C)(C)C)(N1CC(n2c(C)cnc2c(ccc3)cc3)C1)=O,0.0
73518,CO-ADD:0288945,-5.89,n12c(c3c(Oc(cc4[N+](=O)[O-])c1nc4)cccc3)cc(CN(CCO5)CC5)n2,0.0
73519,CO-ADD:0288961,-5.89,C1(=NCC2)N2c(cc3)c(Oc(cccc4)c14)cc3C(F)(F)F,0.0
73520,CO-ADD:0289207,-5.89,n1cnoc1c(cc2)ccn2.Cl,0.0
73521,CO-ADD:0289287,-5.89,N(CCCN1C)(CC1)CCC2CCCCN2.Cl.Cl.Cl,0.0
73522,CO-ADD:0289323,-5.89,c(C1)(c2COCc3cccc(F)c3)c(CCN1)n(n2)C.Cl,0.0
73523,CO-ADD:0289349,-5.89,c1(C(=O)Nc(ccc2C)cc2)nnc(C(CCCN3)C3)s1,0.0
73524,CO-ADD:0289270,-5.89,C(=O)(c1ccc(cc1)OCC(CC2)CCN2)N3CCCCC3.Cl,0.0
73525,CO-ADD:0288482,-5.89,c1(c(ccn2)cc2)ncc(C)n1C(C3)CN3,0.0
73526,CO-ADD:0133870,-5.89,O=C(c1[nH]c([N+](=O)[O-])cn1)N2CCCC2,0.0
73527,CO-ADD:0259398,-5.9,c1(N(CC2)CCO2)nc(Nc(cc3)ccc3OC)nc(Nc(cccc4C(F)(F)F)c4)n1.Cl,0.0
73528,CO-ADD:0259998,-5.9,c12c(c3c(cccc3)o1)N=C(CN4CCCCC4)NC2=O,0.0
73529,CO-ADD:0259743,-5.9,c1(SC(CC)C(=O)Nc2nnc(C)s2)sc(c3n1)cccc3,0.0
73530,CO-ADD:0259375,-5.9,C(C#N)(=C(N)OC(=C12)CCCC1=O)C2c3cccc(F)c3,0.0
73531,CO-ADD:0259775,-5.9,C(/SC(N1CC)=S)(\C1=O)=C(/Sc(c23)cccc2)\N3C4CCCCC4,0.0
73532,CO-ADD:0260039,-5.9,C(/S\C(\C1=O)=C/c2cccc(OC)c2OCc3ccccc3Cl)(=N\C(C)=O)\N1,0.0
73533,CO-ADD:0284316,-5.9,N(c1c(C)ccc(Cl)c1)(C(=O)C(C23)C(C=C4)OC24CO)C3=O,0.0
73534,CO-ADD:0284016,-5.9,S(=O)(=O)(N(CC1)CCO1)c2c(C)c(C)cc(C(O)=O)c2,0.0
73535,CO-ADD:0283193,-5.9,c(C(=O)Nc(cc1)ccc1Br)(sc(c23)nc(c(C#N)c2c4cccs4)N)c3N,0.0
73536,CO-ADD:0278296,-5.9,C(F)(F)(F)c(ccc(c1NC(=O)c2ccc(cc2)Cl)OCC)c1,0.0
73537,CO-ADD:0283531,-5.9,N1(c2ccc(c(Cl)c2)NC(=O)c3ccc(cc3Cl)Cl)C(=O)c(c4C1=O)ccc(C(O)=O)c4,0.0
73538,CO-ADD:0279162,-5.9,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c(cc4OC)cc(c4O)Br,0.0
73539,CO-ADD:0259605,-5.9,c1(SCc2ccccc2)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
73540,CO-ADD:0259326,-5.9,C12(C=Cc3c(ccc(cccc4)c34)O1)C(C)(C)c(c5N2CC(=O)NCc6ccccc6)cccc5,0.0
73541,CO-ADD:0257594,-5.9,C(/SC=C1c(cc2)ccc2c3ccccc3)(=N/c4scc(c5ccccc5)n4)\N1c6ccccc6,0.0
73542,CO-ADD:0258411,-5.9,N1(c(ccc(c2C(O)=O)Cl)c2)C(=O)c3c(cccc3)C1=O,0.0
73543,CO-ADD:0258988,-5.9,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3ccccc3F.Cl,0.0
73544,CO-ADD:0259028,-5.9,[n+]1(ccc(cc1)C)CC(Br)C(OCC)=O.[Br-],0.0
73545,CO-ADD:0283522,-5.9,c1(SCC(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
73546,CO-ADD:0259332,-5.9,C1(O)(CC(=O)c2ccc(cc2)N)c3c(N(C)C1=O)cccc3,0.0
73547,CO-ADD:0277775,-5.9,n1(c2ccc(cc2)Br)c(c3ccccc3)c(cc1c4ccccc4)\C=N\c5ccccc5,0.0
73548,CO-ADD:0259543,-5.91,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCc3ccccc3)=O,0.0
73549,CO-ADD:0284839,-5.91,c1(SCC(=O)Nc(cccc2C(F)(F)F)c2)sc3c(ccc(c3)\N=C\c4c(cccc4Cl)Cl)n1,0.0
73550,CO-ADD:0279215,-5.91,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cc5)ccc5OCc6ccccc6C#N)\C1=O)=NC(c7ccccc7)=C2C(OCC)=O,0.0
73551,CO-ADD:0277903,-5.91,S(CCCC)(=O)(=O)\N=C(/NC1)\NCN1C(CC2)CCN2Cc3ccccc3,0.0
73552,CO-ADD:0277736,-5.91,c12c(c3c(cccc3)OC1=O)nc(c(cc4)ccc4C(C)C)nc2NC(C)=O,0.0
73553,CO-ADD:0288948,-5.91,N12C(=NCC1)c3c(Oc(cccn4)c24)cccc3,0.0
73554,CO-ADD:0289158,-5.91,N1(C)CCC(CCC(O)=O)CC1,0.0
73555,CO-ADD:0292048,-5.91,C(=C/c(ccc1c2c(O)ccc(c2)[N+](=O)[O-])o1)(/C(C)=NN3c4ccc(cc4)C)\C3=O,0.0
73556,CO-ADD:0291976,-5.91,c1(sc2c(ccc(OC)c2)n1)NC(=O)c3cc(c4o3)cccc4,0.0
73557,CO-ADD:0291159,-5.91,S(=O)(=O)(c1ccc(cc1)C)NC(CC2)CCC2C(O)=O,0.0
73558,CO-ADD:0299850,-5.91,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(ccc(c3OC)O)c3)\C1=O)=O,0.0
73559,CO-ADD:0289378,-5.91,N(C)(C(CC1)CCN1)C(CC2)CCO2.Cl.Cl,0.0
73560,CO-ADD:0289373,-5.91,c1(C(=O)N2CCCC2)nn(c(CN3)c1C3)C.Cl,0.0
73561,CO-ADD:0288883,-5.91,c1(nc(c(n1C2CCN(S(C)(=O)=O)CC2)C)[N+](=O)[O-])C,0.0
73562,CO-ADD:0258540,-5.91,C1(C(OCC)=O)=C(C)NC(=O)NC1c(cc2)ccc2[N+](=O)[O-],0.0
73563,CO-ADD:0283931,-5.92,n1(C)c(SCC(=O)c(ccc2c3Cc(c24)cccc4)c3)nnc1c5ccccc5,0.0
73564,CO-ADD:0284748,-5.92,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Br)cc(C(=O)NC(C)C)n2,0.0
73565,CO-ADD:0284756,-5.92,c12c(nnc(SC(CC)C(=O)Nc3sc(c4c3C(OCC)=O)CCCC4)n1)c(c5n2C(C)C)cccc5,0.0
73566,CO-ADD:0259967,-5.92,C1(c2ccccc2)(c3ccccc3)CC1C(NCC=C)=O,0.0
73567,CO-ADD:0260008,-5.92,C12(c(cccc3)c3C(c4ccc(cc4)C)(c5ccc(cc5)C)S1)SC(=NN2c6ccccc6[N+](=O)[O-])C(C)=O,0.0
73568,CO-ADD:0258608,-5.92,C(C(OCCCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3cccc(I)c3,0.0
73569,CO-ADD:0259341,-5.92,c1(SCC(=O)N\N=C\c2ccccc2Cl)oc(c3n1)cccc3,0.0
73570,CO-ADD:0258612,-5.92,C1(C(=O)OCC(C)C)=C(C)NC(NC1c2cccc(OC)c2OC)=O,0.0
73571,CO-ADD:0258519,-5.92,[N+](=O)([O-])c(cc1)cc(c1c2ccc(\C=N\c(ccc(c3C(F)(F)F)Cl)c3)o2)Cl,0.0
73572,CO-ADD:0278939,-5.92,c1(SCc2ccc(cc2C)C)sc3c(ccc(c3)\N=C\c(cc4)ccc4Cl)n1,0.0
73573,CO-ADD:0284118,-5.92,c1(C(C)=O)cc2c(ccc(c2)N=Nc3ccccc3)o1,0.0
73574,CO-ADD:0284142,-5.92,C1(C(OCCSC)=O)=C(C)NC(=O)NC1c(cc2)ccc2N(C)C,0.0
73575,CO-ADD:0279206,-5.92,N1(c2c(Cl)ccc(C(O)=O)c2)C(=O)C(C3C1=O)C4CC3C=C4,0.0
73576,CO-ADD:0278950,-5.92,N12C(S\C(=C\c(ccc3c(cc4)ccc4C(O)=O)o3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5ccc(c(cccc6)c56)OC,0.0
73577,CO-ADD:0278990,-5.92,n1(c2ccc(cc2)OC)c(c3ccccc3)nnc1c4ccc(cc4)Br,0.0
73578,CO-ADD:0258857,-5.92,N1(C2c3ccccc3)C(S\C(=C\c(cc4OC)cc(c4OC)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
73579,CO-ADD:0257900,-5.92,C1(C(=O)Nc2cccc(Cl)c2)=Cc3c(OC1=O)ccc(Br)c3,0.0
73580,CO-ADD:0259854,-5.92,S(=O)(=O)(N(CC)CC)c(cc1)ccc1C2=CS\C(=N/c3ccccc3)\N2CCc4ccccc4.Br,0.0
73581,CO-ADD:0259878,-5.92,C(C(C)=O)(C1c2ccccc2)=C(O)C(N1c(cccc3C(F)(F)F)c3)=O,0.0
73582,CO-ADD:0259902,-5.92,S(=O)(=O)(c1ccc(cc1)C)N\N=C\c2cc(ccc2N(CCCC3C(=O)N(CC)CC)C3)[N+](=O)[O-],0.0
73583,CO-ADD:0259687,-5.92,C(C(=O)N\N=C\c(ccc(c1OC)O)c1)(C2c3ccccc3)C(C2C(=O)N\N=C\c(ccc(c4OC)O)c4)c5ccccc5,0.0
73584,CO-ADD:0257333,-5.92,C(=C\c1cccc(OC)c1)(/C(=O)NN2c3ccc(cc3)C)\C2=O,0.0
73585,CO-ADD:0258967,-5.93,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccccc5OC,0.0
73586,CO-ADD:0259692,-5.93,C(CC(c1ccccc1)CC2=O)(Nc3ccc(cc3OC)OC)=C2,0.0
73587,CO-ADD:0278831,-5.93,c1(NC(=O)c2ccc(cc2)C)n(c3ccccc3)ncc1C(=O)N4CCCCC4,0.0
73588,CO-ADD:0257532,-5.93,c1(N(CC2)CCO2)nc(N\N=C\c(ccc3c4ccccc4Cl)o3)cc(N(CC5)CCO5)n1,0.0
73589,CO-ADD:0291114,-5.93,c12c(cccc1N(CC3)CCN3C\C=C\c4ccccc4)C(=O)c(c5C2=O)cccc5,0.0
73590,CO-ADD:0291116,-5.93,N1(c2ccc(cc2)C)C(=O)C(CC1=O)Sc3sc(c4n3)cccc4,0.0
73591,CO-ADD:0291133,-5.93,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(O)c4)OC,0.0
73592,CO-ADD:0300082,-5.93,c1(N(CC2)CCO2)nc(Cl)cc(N(CC3)CCO3)n1,0.0
73593,CO-ADD:0289272,-5.93,C(=O)(c1ccc(cc1)OCC(CCN2)CC2)N3CCC(CC3)C.Cl,0.0
73594,CO-ADD:0288517,-5.93,c1(CC(CCN2)C2)ncc(C)n1C3CC3.Cl.Cl,0.0
73595,CO-ADD:0289347,-5.93,c1(C(=O)Nc(ccc2C)cc2)sc(nn1)CN.Cl,0.0
73596,CO-ADD:0283932,-5.93,[N+](=O)([O-])c1ccccc1NC(CSc2sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n2)=O,0.0
73597,CO-ADD:0258616,-5.93,C1(C(OC)=O)=C(C)NC(=O)NC1c2ccc(cc2)CC,0.0
73598,CO-ADD:0258329,-5.93,c1(SCC(=O)Nc2ccccc2OC)sc3c(ccc(c3)\N=C\c4cc(Cl)ccc4O)n1,0.0
73599,CO-ADD:0258626,-5.93,c1(c(F)c(F)c(c(F)c1F)F)C(=O)Nc(cc2)ccc2C(O)(C(OC)=O)C(F)(F)F,0.0
73600,CO-ADD:0259115,-5.93,C(=C\c(ccc1c(ccc(c2C(O)=O)Cl)c2)o1)(/C(=O)NN3c4ccc(cc4)Cl)\C3=O,0.0
73601,CO-ADD:0258531,-5.93,c1(N\N=C\c(ccc2c(ccc(c3C(O)=O)Cl)c3)o2)nncn1N.Cl.Cl,0.0
73602,CO-ADD:0258297,-5.93,n(c1c2ccc(Oc(cc3)ccc3N)c1)c(c4ccccc4)c(n2)c5ccc(cc5)Oc6ccccc6,0.0
73603,CO-ADD:0259105,-5.93,C(=O)(c1ccccc1C)NNC(=O)c2cccc(O)c2,0.0
73604,CO-ADD:0257397,-5.93,n1(nc(n2)c3ccc(cc3Cl)Cl)c2sc(nc(cccc4)c4n5)c15,0.0
73605,CO-ADD:0257437,-5.93,n1(c2ccc(c(Cl)c2)Cl)c(c3ccccc3)nnc1c4ccccc4,0.0
73606,CO-ADD:0258030,-5.93,n12c(NC(COC)=CC1=O)c(c(C)n2)c3ccccc3,0.0
73607,CO-ADD:0257543,-5.94,c1(scc(c2ccccc2)n1)NC(CSC3=NCCS3)=O,0.0
73608,CO-ADD:0278243,-5.94,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(cc6)cc(c67)COC7=O)o5,0.0
73609,CO-ADD:0278562,-5.94,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
73610,CO-ADD:0278586,-5.94,N12c(c(C3C(CC=C3)C1)c4)c(C5C(CC=C5)C2)cc4C(=O)Nc(cc6)ccc6Cl,0.0
73611,CO-ADD:0278315,-5.94,c1(C(=O)NNC(Cc(cc2)ccc2Cl)=O)nn(cc1Br)C,0.0
73612,CO-ADD:0278164,-5.94,C1(C(OCC)=O)=C(c2ccccc2)NC(=O)NC1c3ccc(c(OC)c3)O,0.0
73613,CO-ADD:0278286,-5.94,C1(Cl)(Cl)C(C1CC2)CCC3C2C3C(=O)Nc(cc4)ccc4OCC,0.0
73614,CO-ADD:0259218,-5.94,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2ccc(cc2)OC,0.0
73615,CO-ADD:0257897,-5.94,C(=C\c(cc(OC)c(c1)OC)c1OC)(/C(=O)NC(N2)=S)\C2=O,0.0
73616,CO-ADD:0257921,-5.94,c1(c2ccc(cc2)NC(=O)C(Cc(c3c([nH]4)cccc3)c4)NC(OCC(C)C)=O)sc5c(ccc(C)c5)n1,0.0
73617,CO-ADD:0257882,-5.94,S(=O)(=O)(c1c(Br)ccc(Br)c1)n2ccnc2C,0.0
73618,CO-ADD:0258106,-5.94,C(=N\C1CCCCC1)(/SC(C2=O)CC(=O)Nc3ccc(cc3C)C)\N2,0.0
73619,CO-ADD:0279216,-5.94,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cc(OC)c(c5)OC)c5Br)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
73620,CO-ADD:0260121,-5.94,S(=O)(=O)(N(CC)CC)c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3F)\N2CCCO.Br,0.0
73621,CO-ADD:0283497,-5.94,c1(C(O)=O)nonc1N,0.0
73622,CO-ADD:0258990,-5.94,c1(N\N=C\c2ccc(cc2Cl)Cl)nncn1N.Cl.Cl,0.0
73623,CO-ADD:0259859,-5.94,c(cn(n1)c2ccccc2)(c1c3ccccc3)C4SCC(=O)N4Cc5ccco5,0.0
73624,CO-ADD:0259676,-5.94,N1(C(=O)C=C(N=C1S)C)C(C(c2ccccc2)=O)NC(c3ccccc3)=O,0.0
73625,CO-ADD:0291199,-5.94,[N+](=O)([O-])c(cc1)ccc1N2CCC(CC2)C,0.0
73626,CO-ADD:0290999,-5.94,N1=C(SCCOc2ccc(cc2C(C)C)C)Nc(c3C1=O)cccc3,0.0
73627,CO-ADD:0299231,-5.94,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCCc(ccc(c3O)O)c3,0.0
73628,CO-ADD:0288841,-5.95,C(N(C(=O)OC(C)(C)C)CCC1C(=O)NCC#C)C1,0.0
73629,CO-ADD:0288463,-5.95,c1(c2ccccc2)n(CCN)c(cn1)C.Cl.Cl,0.0
73630,CO-ADD:0285466,-5.95,n1(CC=C)c(S)nnc1C(CCCC)CC(COCC(C)C)O,0.0
73631,CO-ADD:0299209,-5.95,c1(C2c3ccc(c(O)c3)OC)c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
73632,CO-ADD:0299673,-5.95,C(C(=O)c1ccc(cc1)Cl)(C2c(cc3)ccc3N(C)C)=C(O)C(N2Cc4ccccc4)=O,0.0
73633,CO-ADD:0259061,-5.95,[N+](=O)([O-])c1ccc(cc1)N\N=C(\C#N)/C(=N)N2CCCCC2,0.0
73634,CO-ADD:0258325,-5.95,S(=O)(=O)(N1CCCCCC1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c(cc3)ccn3,0.0
73635,CO-ADD:0258637,-5.95,C1(c2ccccc2Cl)=N\C(\C(=O)O1)=C/c3ccccc3OCc(cc4)ccc4Cl,0.0
73636,CO-ADD:0284606,-5.95,c(c1c(Oc(cc2)ccc2C(C)(C)C)cc3Nc4ccccc4)(c(c5c(C6=O)cccc5)on1)c36,0.0
73637,CO-ADD:0259095,-5.95,c1(sc(cc1C(OCC)=O)CC)NC(=O)c(ccc(c23)OCCO2)c3,0.0
73638,CO-ADD:0258487,-5.95,N1(C2CCCCC2)C(=O)\C(\SC1=S)=C/c(ccc3c(cc4)ccc4C(O)=O)o3,0.0
73639,CO-ADD:0257392,-5.95,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(ccc5N(CC6)CCO6)[N+](=O)[O-],0.0
73640,CO-ADD:0259930,-5.95,N12C(S\C(=C\c(cc3OC)cc(c3O)I)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
73641,CO-ADD:0257825,-5.95,C1(C(OCCC#N)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
73642,CO-ADD:0257538,-5.95,N1(C(C)C(=O)OC2CC(C(C)(C)C23C)CC3)C(=O)c4c(cccc4)C1=O,0.0
73643,CO-ADD:0277333,-5.95,C1(C(=O)OCC2CCCO2)=C(C)NC(=O)NC1c3ccc(cc3)Cl,0.0
73644,CO-ADD:0278185,-5.95,c(c1c2cc(OC)c(OC)c1)(c(c3ccccc3)nn4c5ccccc5)c4nc2c6cc(Br)ccc6O,0.0
73645,CO-ADD:0277335,-5.95,n(c1ccccc1)(c2C)c(C)cc2\C=C(/c3ccc(cc3)Br)\C#N,0.0
73646,CO-ADD:0277383,-5.95,n1c2c(oc1c3ccc(cc3)NC(=O)c4ccccc4c5ccccc5C(O)=O)cccc2,0.0
73647,CO-ADD:0277527,-5.95,c1(cc(ccc1N(CC2)CCN2CCOC(=O)c3ccc(c(OC)c3)OC)C(F)(F)F)[N+](=O)[O-],0.0
73648,CO-ADD:0284137,-5.95,C1(C(OCCOC(C)C)=O)=C(C)NC(NC1c2cccc(OC)c2)=O,0.0
73649,CO-ADD:0257930,-5.95,C(C(=O)NC1=O)(C23Br)C1C(c4c2cccc4)(c(cccc5)c35)Br,0.0
73650,CO-ADD:0258059,-5.95,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\c3ccc(cc3)F,0.0
73651,CO-ADD:0257899,-5.95,c1(C#N)c(C)c(sc1\N=C\c(cc2)ccc2CC)C,0.0
73652,CO-ADD:0257923,-5.95,c1(cc(cc(OC)c1O)C2SCC(C(O)=O)N2)[N+](=O)[O-],0.0
73653,CO-ADD:0258131,-5.95,C(S(C)(=O)=O)(C(c1ccccc1)N(C2=O)c3ccc(cc3)C)=C2O,0.0
73654,CO-ADD:0257596,-5.95,C(=N\c1ccccn1)(/N(c2ccccc2)C(=C3Oc(cc4)ccc4Cl)c5ccccc5)\S3,0.0
73655,CO-ADD:0277601,-5.95,N1C(=O)\C(\SC1=S)=C\c(cc2C(C)(C)C)cc(c2O)C(C)(C)C,0.0
73656,CO-ADD:0284841,-5.96,N1(c2ccc(cc2)I)C(=O)c3c(NC1c4ccc(cc4Cl)Cl)cccc3,0.0
73657,CO-ADD:0277490,-5.96,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)NC5CC5)c3)nnc1c6ccccc6,0.0
73658,CO-ADD:0259824,-5.96,C1(=C(C)NC(NC1c2ccccc2OCC)=O)C(=O)OC(C)C(C)(C)C,0.0
73659,CO-ADD:0257863,-5.96,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(cc4)ccc4F)\C1=O,0.0
73660,CO-ADD:0258088,-5.96,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4I)cc(c4OCC=C)I)\C1=O)=NC(C)=C2C(C)=O,0.0
73661,CO-ADD:0290800,-5.96,C(F)(F)(F)c(cn1)cc(c1NC(CSc2nc(C)cc(n2)C(F)(F)F)=O)Cl,0.0
73662,CO-ADD:0290824,-5.96,S(=O)(=O)(Oc1cccc(ccc(C)n2)c12)c3cc(C)c(cc3Cl)Cl,0.0
73663,CO-ADD:0290952,-5.96,c1(c(Br)cc(c(cccn2)c12)Br)OC(=O)c3ccco3,0.0
73664,CO-ADD:0299926,-5.96,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3ccccc3CC)C2c4cccs4,0.0
73665,CO-ADD:0289020,-5.96,c1(C(=O)Nc(cc2)ccc2C(O)=O)sc(nn1)Cc3cccc(OC)c3,0.0
73666,CO-ADD:0299160,-5.96,n1(c2ccccc2OC)c(ccc(c3)Nc4c5c(cccc5)c(nn4)C)c3nc1,0.0
73667,CO-ADD:0299640,-5.96,N1C(=O)c(c2C1=O)ccc(c(cc3)ccc3[N+](=O)[O-])c2,0.0
73668,CO-ADD:0286725,-5.96,n(c(O)c(CCC[Si](C)(C)C)c(n1)O)c1SCC(c2ccccc2)=O,0.0
73669,CO-ADD:0289193,-5.96,c1(C2)c(ccc(COCc3cccc(F)c3)c1)OCCN2.Cl,0.0
73670,CO-ADD:0137616,-5.96,O=C(NC1=CN(C)C(C(NC2=CN(C)C(C(NCCN3CCOCC3)=O)=C2)=O)=C1)C(C=C4)=CC=C4/C=C/C(C=C5)=CC=C5C(F)(F)F.OC(C(F)(F)F)=O,0.0
73671,CO-ADD:0258599,-5.96,n1(nnc(C(=O)N\N=C(\CC2)/c3c(C2)cc(OC)cc3)c1CN(CC4)CCO4)c5nonc5N,0.0
73672,CO-ADD:0258489,-5.96,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3C(C)(C)C)CCCC2,0.0
73673,CO-ADD:0283626,-5.97,n1(c2ccccc2)c(SCc3ccc(c(cccc4)c34)F)nnc1c5ccccc5,0.0
73674,CO-ADD:0284218,-5.97,c1(C2=O)c(cc(c3ccc(cc3)OC)s1)N=C4N2CCCC4C(OCC)=O,0.0
73675,CO-ADD:0283642,-5.97,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cccc3[N+](=O)[O-])c3)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
73676,CO-ADD:0284242,-5.97,S(=O)(=O)(N1CCC(CC1)C(OCC)=O)c2c(Cl)ccc(Cl)c2,0.0
73677,CO-ADD:0257430,-5.97,N(c1ccc(cc1C)Cl)C(=O)\C=C\c(ccc(c2OC)OC)c2,0.0
73678,CO-ADD:0257976,-5.97,C1(c2ccccc2)(O3)C(C(C3=O)(Cl)C14)CCC4,0.0
73679,CO-ADD:0284467,-5.97,c12c(c3c(cccc3)CC14CCCC4)nc(NN)nc2N,0.0
73680,CO-ADD:0284794,-5.97,c1(\N=C/c(cc2)ccc2OCc3ccccc3)sc(c4c1C(=O)NCc5ccccc5)CCCC4,0.0
73681,CO-ADD:0284914,-5.97,n1c(SCC)c2c(c(C)n1)cccc2,0.0
73682,CO-ADD:0257707,-5.97,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cc3OC)cc(c3OC)OC)c4sc(c5c4C#N)CCCCC5,0.0
73683,CO-ADD:0284740,-5.97,c1(c2ccccc2Br)nnc(ccc(cccc3)c34)n14,0.0
73684,CO-ADD:0259846,-5.97,C(O)(=O)c1cccc(c1)NCC(OCC)=O,0.0
73685,CO-ADD:0259482,-5.97,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c(cc4)ccc4F)\SC=C1c(cc5)ccc5c6ccccc6.Br,0.0
73686,CO-ADD:0258758,-5.97,C1(C(OCCCC)=O)=C(C)NC(NC1c2cc(OC)ccc2OC)=O,0.0
73687,CO-ADD:0257848,-5.97,N(C(=O)\C(\S1)=C/c(cc2)ccc2Cl)=C1N3CCCC3,0.0
73688,CO-ADD:0257665,-5.97,S1(=O)(=O)c(cccc2)c2C(N\N=C\c3ccccc3OC)=N1,0.0
73689,CO-ADD:0299982,-5.97,C1(NC(CSC(=N2)N(c3ccccc3)C(c(c4c(CCCC4)s5)c25)=O)=O)=C(C)N(N(c6ccccc6)C1=O)C,0.0
73690,CO-ADD:0286248,-5.97,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4cc(Cl)ccc4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
73691,CO-ADD:0288035,-5.98,n1(c(cc(C)cc2C)c2n3)c3S\C(=C\c4cccc(c4)OCc(ccc(c5Cl)Cl)c5)\C1=O,0.0
73692,CO-ADD:0291055,-5.98,S(=O)(=O)(NCc(cccn1)c1)c2ccc(c(cccc3)c23)Cl,0.0
73693,CO-ADD:0299823,-5.98,C(=C/c1ccc(cc1OC)OC)(/C(=O)NC(N2C)=O)\C2=O,0.0
73694,CO-ADD:0300031,-5.98,n1c(N)scc1c2cccc(Br)c2,0.0
73695,CO-ADD:0300039,-5.98,C(C#N)(C1c2ccccc2Cl)=C(SCc3ccccc3)NC(N)=C1C#N,0.0
73696,CO-ADD:0299833,-5.98,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(cc3)ccc3N(CC)CC)\C1=O)=O,0.0
73698,CO-ADD:0137601,-5.98,CN1C=C(NC(C2=CC(NC(C3=CN=C(/C=C/C4=CC=C(N(C)C)C=C4)C=C3)=O)=CN2C)=O)C=C1C(NCCN5CCC(OC)CC5)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
73699,CO-ADD:0284490,-5.98,n1(nc(s2)SCc(cc3)ccc3Cl)c2nnc1SCc(cc4)ccc4Cl,0.0
73700,CO-ADD:0283811,-5.98,S(=O)(=O)(N1CCC(CC1)C)c(c(Cl)cc(c2C(=O)Oc(cccc3NC(c4ccccc4)=O)c3)Cl)c2,0.0
73701,CO-ADD:0283851,-5.98,N(\C(=C/c(ccc(c1OC)OCc2ccccc2Cl)c1)\C(O3)=O)=C3c4ccc(cc4)F,0.0
73702,CO-ADD:0284270,-5.98,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc(c3OC)OCC)c3)\N2C4CCCCC4,0.0
73703,CO-ADD:0283808,-5.98,S(=O)(=O)(N(CC)CC)c1csc(C(=O)OCC(c2ccccc2)=O)c1,0.0
73704,CO-ADD:0257948,-5.98,N1(c2ccccc2C)C(=O)\C(=C\c(ccc(c3)N(CC)CC)c3OC)\C(NC1=S)=O,0.0
73705,CO-ADD:0259146,-5.99,c1(C#N)c(SC)nsc1N\N=C\c2cccc(OC)c2O,0.0
73706,CO-ADD:0258141,-5.99,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c(cccc3[N+](=O)[O-])c3)=O,0.0
73707,CO-ADD:0257198,-5.99,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c3ccccc3)\N2CCCO)N4CCCCC4.Br,0.0
73708,CO-ADD:0258572,-5.99,n1(CC(=O)N\N=C\c(c(cccc2)c2n3Cc(cc4)ccc4Cl)c3)nnnc1N,0.0
73709,CO-ADD:0284936,-5.99,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)Nc(ccc(c5C)C)c5,0.0
73710,CO-ADD:0283394,-5.99,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c(ccc4c5cc(Cl)ccc5Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
73711,CO-ADD:0284114,-5.99,c1(Sc2ccccc2)c3c([nH]c1CCC(NC)=O)cccc3,0.0
73712,CO-ADD:0278985,-5.99,C(=C\c(ccc(c1OCC)OCc(cc2)ccc2[N+](=O)[O-])c1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
73713,CO-ADD:0277667,-5.99,c1(sc(c2n1)cccc2)NC(=O)c(cccc3C(Cl)(Cl)Cl)c3,0.0
73714,CO-ADD:0277577,-5.99,n1c(csc1\C(\C#N)=C/c(cc2)ccc2c3ccccc3)c4cccs4,0.0
73715,CO-ADD:0257684,-5.99,C(/C(C)=NN1c2ccccc2)(=C\c3cccc(cccc4)c34)\C1=O,0.0
73716,CO-ADD:0258468,-5.99,C1(NC(=O)c2cc(F)cc(F)c2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
73717,CO-ADD:0258965,-5.99,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc(c5[N+](=O)[O-])Br)c5,0.0
73718,CO-ADD:0258981,-5.99,C1(=O)N(C)c2c(cc(cc2)\C=N\NC(=O)Nc3ccccc3)N1C,0.0
73719,CO-ADD:0258878,-5.99,[N+](=O)([O-])c1ccc(cc1)NC(=O)c(cc2)ccc2C(=O)N(C3CCCCC3)C4CCCCC4,0.0
73720,CO-ADD:0259898,-5.99,S(=O)(=O)(c(cc1)ccc1C(O)=O)N2CCCCC2C,0.0
73721,CO-ADD:0258432,-5.99,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4Br)OCc5ccccc5C#N)c4)\C1=O,0.0
73722,CO-ADD:0259042,-6.0,c1(SCC(=O)c2ccc(cc2C)C)sc3c(ccc(OCC)c3)n1,0.0
73723,CO-ADD:0257852,-6.0,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc(n4c(cc5)ccc5[N+](=O)[O-])C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
73724,CO-ADD:0257298,-6.0,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4ccccc4)\N2,0.0
73725,CO-ADD:0286436,-6.0,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)nc(Nc4c(Br)cc(c(Cl)c4)C)n1,0.0
73726,CO-ADD:0286533,-6.0,N1(c(cc2)c(OC1=O)cc2S(=O)(=O)Nc3cccc(C)c3)C(=O)Oc4ccccc4,0.0
73727,CO-ADD:0286126,-6.0,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cccc(c4)OCC(OC)=O,0.0
73728,CO-ADD:0286390,-6.0,c1(O2)c(c([nH]n1)C)C(C(C#N)=C2N)C(CCC=C3)C3,0.0
73729,CO-ADD:0299527,-6.0,N1(C(C)(C)C\C(\CC1(C)C)=N\OC(C)=O)OC(=O)c(cc2)ccc2[N+](=O)[O-],0.0
73730,CO-ADD:0299335,-6.0,N1(c2ccc(cc2C)C)C(=O)c3c(cc(cc3)Oc(cc4)ccc4NC(C)=O)C1=O,0.0
73731,CO-ADD:0135567,-6.0,O[C@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)[C@@H]1O[C@@H]2OC=C3C(OCC[C@@]3(O)[C@H]2C=C)=O,0.0
73732,CO-ADD:0283622,-6.0,N1(c(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4C(OC)=O)c2)C(=O)c(c5C1=O)cccc5,0.0
73733,CO-ADD:0283215,-6.0,C1(C(=O)c2ccc(cc2)C)=C(O)C(NC1c3ccc(cc3)OC)=O,0.0
73734,CO-ADD:0284487,-6.0,c12c(nnc(SCC(=O)Nc3sc(c4c3C(OCC)=O)CCCC4)n1)c5c(cccc5)n2CCC,0.0
73735,CO-ADD:0283288,-6.0,N1(c(ccc(c2NC(c3ccccc3)=O)OC)c2)C(=O)c(c4C1=O)cccc4,0.0
73736,CO-ADD:0278377,-6.0,N1(CSc2nncn2C)C(=O)c3c(cccc3)C1=O,0.0
73737,CO-ADD:0283126,-6.0,c12c(ccc(N)c1C)C(C)=CC(=O)N2,0.0
73738,CO-ADD:0257772,-6.0,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(cc3)ccc3C)\N2,0.0
73739,CO-ADD:0257972,-6.0,N(c1sccn1)C(=O)c2ccccc2C(O)=O,0.0
73740,CO-ADD:0277795,-6.0,c1(C(=O)Oc2ccc(cc2OC)\C=N\c(cc3)ccc3N(CC)CC)c(Cl)c4c(cccc4)s1,0.0
73741,CO-ADD:0277811,-6.01,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc(OCO4)c4c5)c5Br)\C1=O)=NC(C)=C2C(C)=O,0.0
73742,CO-ADD:0277819,-6.01,c([nH]nc1c2cc(C)ccc2O)(C(F)(F)F)c1,0.0
73743,CO-ADD:0277571,-6.01,C1(C#N)=C(SCC=C)NC(=O)CC1c2ccccc2OC,0.0
73744,CO-ADD:0277494,-6.01,C(C(OCC)=O)(C(c(cc1)cc(c1OC(F)F)OC)N2)=C(c3ccccc3)N(C2=O)C,0.0
73745,CO-ADD:0259519,-6.01,N1=C(NC(C)=O)S\C(=C\c2c(cccc2Cl)Cl)\C1=O,0.0
73746,CO-ADD:0260151,-6.01,C(=O)(N\N=C\c(ccc(c1OCC)O)c1)c2ccc(c(O)c2)I,0.0
73747,CO-ADD:0257271,-6.01,C(OCc1ccccc1)(=O)NCC(=O)Nc2ccc(cc2C)I,0.0
73748,CO-ADD:0257630,-6.01,C(=O)(C(C)(C)C)Nc(cccc1C(=O)Nc(cc2)ccc2C(C)C)c1,0.0
73749,CO-ADD:0257350,-6.01,[C@]12(C)C(C(OCC)=O)C(c3c(cccc3)O1)NC(=S)N2,0.0
73750,CO-ADD:0258964,-6.01,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(ccc(c6Cl)OC)c6)o5,0.0
73751,CO-ADD:0257891,-6.01,C(=C\c(cc(OC)c(c1)OC)c1OC)(/C(=O)NC(N2)=O)\C2=O,0.0
73752,CO-ADD:0283395,-6.01,N12C(S\C(=C\c3cccs3)\C1=O)=NC(C)=C(C(OCC)=O)C2c4ccc(c(cccc5)c45)OC,0.0
73753,CO-ADD:0257317,-6.01,C1(C(=O)OCC(F)(F)F)=C(C)NC(NC1c(cc2OC)cc(c2O)Cl)=O,0.0
73754,CO-ADD:0287843,-6.01,c1(OC(N)=C(C2c3ccc(cc3OCC)O)C#N)c2c(n[nH]1)CCC,0.0
73755,CO-ADD:0288020,-6.01,c1(C#N)c(SCC(OC)=O)cc(cc1SCC(OC)=O)SCC(OC)=O,0.0
73756,CO-ADD:0289061,-6.01,c1(C(=O)Nc(ccc2C)cc2)sc(nn1)CCCC(O)=O,0.0
73757,CO-ADD:0288720,-6.01,c1cc(OC)cc(c1)NC(=O)C(N\N=C\c2ccc([N+](=O)[O-])o2)=S,0.0
73758,CO-ADD:0299838,-6.01,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c3ccc[nH]3)\C1=O)=O,0.0
73759,CO-ADD:0299846,-6.01,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(cc3OC)cc(c3O)Br)\C1=O)=O,0.0
73760,CO-ADD:0283166,-6.01,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCCC,0.0
73761,CO-ADD:0278518,-6.01,c1(SC(CC)C(=O)Nc2ccccc2C#N)oc(c3n1)cccc3,0.0
73762,CO-ADD:0278463,-6.01,c(c(C)[nH]n1)(C(C(C#N)C#N)c(cc2OC)cc(c2OC)OC)c1O,0.0
73763,CO-ADD:0284000,-6.02,C(C(=O)OC(C)C)(C1c2ccc(cc2)F)=C(C)NC(CC(c3ccc(cc3)Cl)CC4=O)=C14,0.0
73764,CO-ADD:0279039,-6.02,c(non1)(\C(=N/OCC(=O)Nc2ccccc2)\NC=N3)c13,0.0
73765,CO-ADD:0277441,-6.02,N1(C2c3cccs3)C(S\C(=C\c4cccc(OC)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
73766,CO-ADD:0284251,-6.02,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)CC)n(c(c3)c1S(CCC)(=O)=O)ccn3,0.0
73767,CO-ADD:0279035,-6.02,C(CN([C@@H](C[C@]12O)[C@@H](CO3)O[C@H]13)C4=N2)S4,0.0
73768,CO-ADD:0284253,-6.02,c1([N+](=O)[O-])nn(c(C)c1Cl)Cc2cc(ccc2OC)\C=N\NC(=O)c(nnn3c4nonc4N)c3C,0.0
73769,CO-ADD:0283886,-6.02,n1c(N)scc1C2CC2,0.0
73770,CO-ADD:0277632,-6.02,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n1,0.0
73771,CO-ADD:0259420,-6.02,c12c(nnc(SCC(=O)Nc(cc3)ccc3C(C)=O)n1)c4c(cccc4)n2Cc5ccccc5,0.0
73772,CO-ADD:0259365,-6.02,c(c1c2ccccc2)(C3c4ccco4)c([nH]n1)OC(N)=C3C#N,0.0
73773,CO-ADD:0279209,-6.02,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c3ccccc3OC)\N2C4CCCC4,0.0
73774,CO-ADD:0284106,-6.02,c1(C(OCC)=O)c2c(n(c3ccccc3)c1CSc4ccccc4)cc(Br)c(O)c2CN(C)C.Cl,0.0
73775,CO-ADD:0284540,-6.02,C1(=S)N(c2ccc(cc2)OC)C3(\C(=N\c4ccccc4)\N1)CCCCC3,0.0
73776,CO-ADD:0258436,-6.02,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)NCc3ccco3,0.0
73777,CO-ADD:0258460,-6.02,n(c1ccc(cc1[N+](=O)[O-])C(F)(F)F)(c2C)nnc2C(OCC)=O,0.0
73778,CO-ADD:0283220,-6.02,C(C(C)=O)(C1c2ccc(cc2)OC)=C(O)C(N1CCc3ccccc3)=O,0.0
73779,CO-ADD:0284302,-6.02,N1(NC(=O)c2ccc(cc2)O)C(=O)c(c(c3)C1=O)cc(c3C(N4NC(=O)c5ccc(cc5)O)=O)C4=O,0.0
73780,CO-ADD:0279037,-6.02,N1C(=O)\C(\SC1=O)=C\NCCCCCCCCCCCCCCCCCC,0.0
73781,CO-ADD:0284076,-6.02,c1(C(=O)\C=C(/[N+]([H])([H])[H])\C(=O)[O-])c(O)c(F)c(c(F)c1F)F,0.0
73782,CO-ADD:0278317,-6.02,N1(CC=C)C(=O)\C(\SC1=S)=C/c(ccc(c2OC)OCc3ccccc3F)c2,0.0
73783,CO-ADD:0257907,-6.02,N1(c2ccc(cc2)CC)C(=O)C(C(C34)C1=O)C(c(c35)cccc5)c6c4cccc6,0.0
73784,CO-ADD:0257924,-6.02,c(CC(C(=O)OCC(=O)c(cc1)ccc1c2ccccc2)NC(=O)Oc3ccccc3)(c4c([nH]5)cccc4)c5,0.0
73785,CO-ADD:0257925,-6.02,C(=C\c(cc(OC)c(c1)OCC)c1Br)(/C(=O)NC(N2)=S)\C2=O,0.0
73786,CO-ADD:0260208,-6.02,n1(nnc(CN2CCC(CC2)C)c1CN3CCC(CC3)C)c4nonc4N,0.0
73787,CO-ADD:0286218,-6.03,c1(NC(CSc2nc(c3ccccc3)cc(c4ccccc4)n2)=O)cc(on1)C,0.0
73788,CO-ADD:0287829,-6.03,C1(CC2)(CCN2C(OCC)=O)C(C#N)=C(N)Oc3c1c(C)n[nH]3,0.0
73789,CO-ADD:0287197,-6.03,c12c(c(ccc1Nc3c(C)cc(cc3C)C)N)C(c(cccc4)c4C2=O)=O,0.0
73790,CO-ADD:0288592,-6.03,c1ccc(c2ncc(C)n2CC3CN(C(OC(C)(C)C)=O)CCC3)cc1,0.0
73791,CO-ADD:0289141,-6.03,c1(C2)c(CN2C(=O)OC(C)(C)C)n(nc1C(O)=O)C,0.0
73792,CO-ADD:0289036,-6.03,c(c1)(C(CC(=O)O)c2ccccc2)c(Cl)ccc1,0.0
73793,CO-ADD:0288582,-6.03,C(=O)(OC(C)(C)C)N(CC1c2n(c(cn2)C)Cc3ccncc3)C1,0.0
73794,CO-ADD:0288959,-6.03,C(=NCC1)(c2c(cccc2)Oc(cc(C#N)c(F)c3)c34)N14,0.0
73795,CO-ADD:0299875,-6.03,c1(N2CCC(CC2)CCc(cc3)ccc3OC)scc(c4ccc(cc4)Cl)n1,0.0
73796,CO-ADD:0277481,-6.03,c1(c(C)cc(nc1Cl)C)C(=O)Nc2cccc(F)c2,0.0
73797,CO-ADD:0278384,-6.03,N1(CC(=O)OC(CC)C(=O)Nc2sc(c3c2C#N)CCCC3)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
73798,CO-ADD:0278416,-6.03,c(NC1CCCCC1)(nc(NCCC)nc2OC(C)C)n2,0.0
73799,CO-ADD:0278905,-6.03,n1(c(ccc2C(F)(F)F)nnc1c3cccc(Cl)c3Cl)c2,0.0
73800,CO-ADD:0283099,-6.03,c1(coc(ccc(O)c2CN(CC3)CCO3)c12)C(=O)c4cc(OC)ccc4OC.Cl,0.0
73801,CO-ADD:0278475,-6.04,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c(cc3)ccc3N(C)C,0.0
73802,CO-ADD:0284849,-6.04,C1(O)(CC(=NN1C(=O)Cc(ccc(c2OC)OC)c2)CCC)C(F)(F)F,0.0
73803,CO-ADD:0284889,-6.04,c(\C(\c1ccccc1)=N\O)(c(C)c(c2c3C)cc4c3OC(C=C4C)=O)o2,0.0
73804,CO-ADD:0257202,-6.04,N1(c2ccccc2C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)OCC,0.0
73805,CO-ADD:0258568,-6.04,c1(c2ccco2)nc(n3c1\N=C\c(cc(OCO4)c4c5)c5Br)cccc3,0.0
73806,CO-ADD:0258760,-6.04,C1(C(OCCC)=O)=C(C)NC(NC1c2ccccc2F)=O,0.0
73807,CO-ADD:0257732,-6.04,N1(c2ccccc2F)C(=O)C3C(C4\C(=C(\C)/C)\C3C=C4)C1=O,0.0
73808,CO-ADD:0283231,-6.04,C(C)(O)(CC(=O)C(C1c(cc2)ccc2C(C)C)C(C)=O)C1C(C)=O,0.0
73809,CO-ADD:0258818,-6.04,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(ccc(c3OC)OCc(cc4)ccc4C)c3)\N2c5ccccc5,0.0
73810,CO-ADD:0258772,-6.04,c(cc(cc1C(O)=O)[N+](=O)[O-])([N+](=O)[O-])c1N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-].CC(=O)O,0.0
73811,CO-ADD:0258757,-6.04,C(=O)(N\N=C\c1ccccc1OC)C(=O)N2CCCCCC2,0.0
73812,CO-ADD:0259955,-6.04,S(=O)(=O)(N1CCCCCC1)c(ccc(c2C(=O)Nc3ccccc3C(O)=O)Cl)c2,0.0
73813,CO-ADD:0259965,-6.04,c12c(c3c(NC(c(cc4)ccc4C(C)(C)C)O1)cccc3)nnc(SCC)n2,0.0
73814,CO-ADD:0259737,-6.04,c(C#N)(c(\C(\C#N)=C\c1cc(I)cc(I)c1OC(C)C)nn2c3ccccc3)c2N,0.0
73815,CO-ADD:0259216,-6.04,C1(C#N)(C#N)C(c2cccc(F)c2)C3C(C(C#N)=C1N)=CCCC3,0.0
73816,CO-ADD:0258479,-6.04,c(c(C)c(s1)C)(C2=O)c1N=C(SC)N2c3ccccc3,0.0
73817,CO-ADD:0283325,-6.04,N1(C(=O)c2ccc(cc2)N)C(O)(c3ccc(cc3)F)CC(C(F)(F)F)=N1,0.0
73818,CO-ADD:0258753,-6.04,N1(CN(CC=C)CC=C)C(=O)C=CC(O)=N1,0.0
73819,CO-ADD:0283285,-6.04,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)CC)SC(=NN2c6ccccc6)c7ccccc7,0.0
73820,CO-ADD:0284483,-6.04,c1(cc(ccc1N(C)C)\C=N\c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c(ccc(c4[N+](=O)[O-])N(C)C)c4)[N+](=O)[O-],0.0
73821,CO-ADD:0287599,-6.04,N1=C(C(C)C)NN(c2ccccc2)C1=S,0.0
73822,CO-ADD:0288704,-6.05,N(CCC1n(c2C)c(C3OCCC3)nc2)CC1,0.0
73823,CO-ADD:0289388,-6.05,N1(Cc2cccc(F)c2)C(=O)C=CC(CN3)=C1CC3,0.0
73824,CO-ADD:0290852,-6.05,C1(NC(CSc(nnc(c23)c(c4n2C(C)C)cccc4)n3)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
73825,CO-ADD:0290304,-6.05,N12C(S\C(=C\c(ccc(c3OC)OCc(cc4)ccc4F)c3)\C1=O)=NC(C)=C(C(C)=O)C2c5c(OC)ccc(cccc6)c56,0.0
73826,CO-ADD:0300036,-6.05,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(OC)=O)C1c2ccc(cc2)Cl,0.0
73827,CO-ADD:0299821,-6.05,C(=C/c(ccc(c1O)O)c1)(/C(=O)NC(N2C)=O)\C2=O,0.0
73828,CO-ADD:0299893,-6.05,n(c1)(C(C)Oc2cccc(Cl)c2)ncn1,0.0
73829,CO-ADD:0300021,-6.05,C(=CC(\C=C\c(ccc1c(c(C)c2)cc(c2[N+](=O)[O-])C)o1)=NC3=O)(C(F)(F)F)N3,0.0
73830,CO-ADD:0137592,-6.05,CN1C=C(NC(C2=CC(NC(C3=CC=C(/C=C/C4=CC=C(OC)C=C4)C=C3)=O)=CN2C)=O)C=C1C(NCCN5CCC(OC)CC5)=O.OC(C(F)(F)F)=O,0.0
73831,CO-ADD:0278499,-6.05,C(C#N)(C1c(cc2)ccc2N(C)C)=C(N)OC(CCCC3=O)=C13,0.0
73832,CO-ADD:0278507,-6.05,n1c(c2ccccc2)csc1\C(\C#N)=N\Nc(cccc3C(F)(F)F)c3,0.0
73833,CO-ADD:0283347,-6.05,c1(cc(ccc1N(CC2)CCO2)C(O)=O)[N+](=O)[O-],0.0
73834,CO-ADD:0279178,-6.05,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C\c(ccc(c4[N+](=O)[O-])N(C)C)c4,0.0
73835,CO-ADD:0284131,-6.05,C1(C(OCCOC(C)C)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCC,0.0
73836,CO-ADD:0283373,-6.05,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(CCCC)c1C,0.0
73837,CO-ADD:0284313,-6.05,c1(N\N=C(/CC)\N=Nc(cc2)ccc2Br)nc(c3n1Cc4ccccc4)cccc3,0.0
73838,CO-ADD:0284377,-6.05,c1(C(=O)Oc2cccc(c2)\C=N\NC(=O)c3ccccc3OC)c(Cl)c4c(cccc4)s1,0.0
73839,CO-ADD:0284417,-6.05,C(/S\C(\C1=O)=C/c(cc2OC)cc(c2OCc3ccccc3)Br)(=N\C(C)=O)\N1,0.0
73840,CO-ADD:0284346,-6.05,N(c1ccccc1)(CC2)CCN2CCOc3ccccc3.Cl.Cl,0.0
73841,CO-ADD:0277420,-6.05,c1(ccccc1O)C(=O)NCc(cc2)ccc2OC,0.0
73842,CO-ADD:0279076,-6.05,n1c(c2ccc(cc2)F)csc1\C(\C#N)=C\c(cc3OC)cc(c3OC)OC,0.0
73843,CO-ADD:0277307,-6.05,c12c(c(cc(Oc(c3N4)cccc3C)c14)NCCO)C(c5c(cccc5)C2=O)=O,0.0
73844,CO-ADD:0259367,-6.05,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c2ccccc2Cl,0.0
73845,CO-ADD:0277540,-6.06,N1(c(ccc(c2s3)nc3SCC(=O)NC4CC4)c2)C(=O)c5c(cccc5)C1=O,0.0
73846,CO-ADD:0259995,-6.06,c1(c(Cl)cc(cc1Cl)Cl)NNC(COc2ccc(cc2Cl)Cl)=O,0.0
73847,CO-ADD:0259388,-6.06,N1(C(C)=O)C(=O)C(CC(=O)Nc2ccccc2)c3c(cc(c(OC)c3)OC)C(C)=N1,0.0
73848,CO-ADD:0259789,-6.06,C(=O)(N(CC1)CCN1CCNC(=O)C(NC)=O)c2ccccc2Cl,0.0
73849,CO-ADD:0259202,-6.06,C1(C#N)=C(N)Oc(c2C1c3ccccc3OC)cc(c4c2)cccc4,0.0
73850,CO-ADD:0283673,-6.06,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc2c(Br)cc(cc2Br)O,0.0
73851,CO-ADD:0259637,-6.06,C(/C#N)(=C/c(cc1)ccc1O)\C(=O)NCc2ccccc2,0.0
73852,CO-ADD:0259446,-6.06,c12c(nnc(SCC(N3)=C(C(CCCCC(OCC)=O)=O)NC3=O)n1)c4c(cccc4)n2CCc5ccccc5,0.0
73853,CO-ADD:0278446,-6.06,C1(N(CC)C(N2)=O)C2N(C(=O)N1)CC,0.0
73854,CO-ADD:0284478,-6.06,c1(C(O)=O)c(cccc1[N+](=O)[O-])C(=O)Nc2scc(c3ccccc3)n2,0.0
73855,CO-ADD:0287419,-6.06,C(C#N)(C1c2ccc(cc2)SC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
73856,CO-ADD:0287595,-6.06,C12(N(CC3)CCO3)C(CCCC1)=Cc(c4O2)cc(cc4Br)Br,0.0
73857,CO-ADD:0287476,-6.06,c1(cc(ccc1Oc2ccc(cc2OC)\C=N\NC(N)=S)C(F)(F)F)[N+](=O)[O-],0.0
73858,CO-ADD:0299822,-6.07,N1(C)C(=O)\C(=C\C=C\c2ccccc2[N+](=O)[O-])\C(NC1=O)=O,0.0
73859,CO-ADD:0286886,-6.07,s1c(N)nnc1SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc4ccccc4)c2,0.0
73860,CO-ADD:0286510,-6.07,c1(SCC(=O)Nc(cc2)ccc2C(C)C)sc3c(ccc(c3)NC(=O)Cc4cccc(cccc5)c45)n1,0.0
73861,CO-ADD:0286879,-6.07,N1(c2ccccc2)C(=O)\C(\SC1=S)=C/c3sccc3C,0.0
73862,CO-ADD:0290955,-6.07,S(=O)(=O)(c1ccc(cc1)Cl)Oc2ccc(cc2C(OCC)=O)[N+](=O)[O-],0.0
73863,CO-ADD:0291521,-6.07,[N+](=O)([O-])c1cc(C)ccc1NC(=O)c2ccco2,0.0
73864,CO-ADD:0290693,-6.07,[N+](=O)([O-])c(cc1)ccc1C2OCOCC2Br,0.0
73865,CO-ADD:0290501,-6.07,C(=O)(N(c1ccccc1)c2ccccc2)c3ccccc3C(=O)N4CCCCC4,0.0
73866,CO-ADD:0290949,-6.07,c1(NC(CSc2sc3c(ccc(OCC)c3)n2)=O)sc4c(CCC(C(C)(C)C)C4)c1C(OC)=O,0.0
73867,CO-ADD:0292077,-6.07,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(ccc3c(cccc4[N+](=O)[O-])c4)o3,0.0
73868,CO-ADD:0134094,-6.07,O=C(c1[nH]c([N+](=O)[O-])cn1)NC2CC2,0.0
73869,CO-ADD:0279188,-6.07,c1(SCC(=O)Nc(cc2)ccc2C(C)C)sc3c(ccc(N)c3)n1,0.0
73870,CO-ADD:0284141,-6.07,C1(C(OCCOC)=O)=C(C)NC(=O)NC1c2ccc(cc2)OCCC,0.0
73871,CO-ADD:0283321,-6.07,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c4ccccc4O)\C1=O,0.0
73872,CO-ADD:0283377,-6.07,N(c1ccccc1)(CC2)CCN2CCSc3ccccc3.Cl.Cl,0.0
73873,CO-ADD:0283745,-6.07,N1(c2cccc(c2)C(=O)Nc(cc(cc3C(O)=O)C(O)=O)c3)C(=O)c4c(c(ccc5[N+](=O)[O-])C1=O)c5ccc4,0.0
73874,CO-ADD:0283466,-6.07,n1(c2ccccc2C(O)=O)ncc3c1cc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
73875,CO-ADD:0278861,-6.07,N1(CC(C)C)C(=O)c(c2C1=O)ccc(C(=O)c(cc3)ccc3C(O)=O)c2,0.0
73876,CO-ADD:0279062,-6.07,C(C(=O)OC(C)(C)C)(=C(C)OC(=C1C#N)N)C1c2ccco2,0.0
73877,CO-ADD:0278438,-6.08,C(C#N)(C(c1ccccc1[N+](=O)[O-])C2C(OCC)=O)=C(SCc3ccccc3)NC2=O,0.0
73878,CO-ADD:0277400,-6.08,c12c(n(c(Oc3ccc(cc3OC)\C=C(/Sc(n45)nc(c46)cc(c(C)c6)C)\C5=O)n1)C)C(N(C)C(=O)N2C)=O,0.0
73879,CO-ADD:0278871,-6.08,c1(SCC(O)COc(cc2)ccc2C(C)(C)C)nc(C)cc(C)n1,0.0
73880,CO-ADD:0278904,-6.08,N1(C(=O)C23CC(CC4C2)CC(C4)C3)c5c([C@]([H])(CN(C)CC6)[C@@]16[H])cc(C)cc5.Cl,0.0
73881,CO-ADD:0259192,-6.08,N1(C)C(=S)SC(C)(C)C1\[N+](\[O-])=C\c(cccn2)c2,0.0
73882,CO-ADD:0258801,-6.08,c1(c(cccc2OC)c23)c(CC(C)S1)c(n3)C,0.0
73883,CO-ADD:0258882,-6.08,N1(CC(=O)N2CCCCC2)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
73884,CO-ADD:0258699,-6.08,c1(SCC(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
73885,CO-ADD:0258868,-6.08,c1(nnc(CCCCCCCC)s1)NC(=O)c(cc2)ccc2C(C)(C)C,0.0
73886,CO-ADD:0258884,-6.08,N(C(=O)\C(\S1)=C/c(cc2)ccc2C(C)(C)C)=C1N3CCCC3,0.0
73887,CO-ADD:0292153,-6.08,C(=C/C(=O)c1ccc(cc1)C)(/Nc2c(N3)cccc2)\C3=O,0.0
73888,CO-ADD:0291594,-6.08,N1(C(C)=O)C(c2ccc(cc2)OC)C(C(OCC)=O)=C(NC1=O)C,0.0
73889,CO-ADD:0291556,-6.08,[N+](=O)([O-])c(cccc1c2ccc(o2)\C=C(/C(NCCC)=O)\NC(c3ccccc3)=O)c1,0.0
73890,CO-ADD:0285282,-6.08,N(CC1)(CCN1c2ccccc2)C(=O)COc3cccc(cccc4)c34,0.0
73891,CO-ADD:0285290,-6.08,C1(C2OC(C=C2)C1C(O)=O)C(=O)NC(c3ccccc3)c4ccccc4,0.0
73892,CO-ADD:0299543,-6.08,C(C)(O)(Cc1ccccc1)CCN(C)C.Cl,0.0
73893,CO-ADD:0285356,-6.08,c12c(c3c(cccc3)o1)nc(c4ccccc4)nc2NC5CCCCC5.Cl,0.0
73894,CO-ADD:0286869,-6.08,n1(c2ccccc2)c(COc3ccccc3)nnc1SCC(=O)Nc(ccc(c4s5)nc5SCC(=O)Nc6c(C)cc(cc6C)C)c4,0.0
73895,CO-ADD:0287768,-6.08,c1(nnc(ccc(Cl)n2)n12)C(F)(F)C(F)(F)C(F)(F)F,0.0
73896,CO-ADD:0287410,-6.08,c1(c2c(sc1NC(Cc(cc3)ccc3Cl)=O)CCCCC2)C(=O)OC(C)C,0.0
73897,CO-ADD:0287506,-6.08,C(/c(cccc1OCC)c12)(\C(=S)C(N2C(=O)Cc(cc3)ccc3F)(C)C)=C(/SC(=C4C(OC)=O)C(OC)=O)\S4,0.0
73898,CO-ADD:0292602,-6.08,c1(C#N)c(N)[nH]nc1\C(\C#N)=C\c(ccc(c2)N(CC)CC)c2OC,0.0
73899,CO-ADD:0295623,-6.08,c12c(c3c(CCCC3)s1)c(nc(c4ccc(c(OCC)c4)OCC)n2)O,0.0
73900,CO-ADD:0295165,-6.09,n1(c2ccc(cn2)C)cnnn1,0.0
73901,CO-ADD:0296144,-6.09,C1(=O)N(C)Sc2c1ccc(c2)[N+](=O)[O-],0.0
73902,CO-ADD:0292568,-6.09,n12c(cc(c3ccc(cc3)Br)n1)nc(cc2C(F)(F)F)c4ccccc4,0.0
73903,CO-ADD:0295497,-6.09,c1(C2c3ccc(c(Br)c3)F)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
73904,CO-ADD:0293139,-6.09,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(ccc4c(cc5)ccc5C(C)=O)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
73905,CO-ADD:0293193,-6.09,n12c(S\C(=C\c(c(cccc3)c3n4C)c4)\C1=O)nc(cc(C)c(C)c5)c25,0.0
73906,CO-ADD:0292615,-6.09,N1(c2cccc(Cl)c2)C(=O)\C(=C/Nc(nnc3c4ccc(cc4Cl)Cl)s3)\C(NC1=O)=O,0.0
73907,CO-ADD:0295023,-6.09,c(C(=O)N(CC1)CCO1)(c2N)sc3c2cc(c4n3)CCCC4,0.0
73908,CO-ADD:0293955,-6.09,c1(Sc2ccc(cc2Cl)NC(COc3ccccc3)=O)sc(c4n1)cccc4,0.0
73909,CO-ADD:0294035,-6.09,C(/C#N)(\C(OCC)=O)=C/c1cc(OCC)ccc1OCC,0.0
73910,CO-ADD:0285634,-6.09,n1(c2c(n3)cccc2)c3S\C(=C/c(cn(n4)c5ccccc5)c4c6ccc(cc6)Cl)\C1=O,0.0
73911,CO-ADD:0285650,-6.09,[n+]1(ccccc1)[C-](C=O)C=O,0.0
73912,CO-ADD:0285850,-6.09,C(/c(cc(OC)cc1)c12)(\C(=S)C(N2C(C(C)C)=O)(C)C)=C(\S3)/SC(=C3C(OCC)=O)C(OCC)=O,0.0
73913,CO-ADD:0291543,-6.09,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)CSc4nncn4C)cc(cc3)OC,0.0
73914,CO-ADD:0285676,-6.1,n1c(C)ccc2c1ccc(c2)N,0.0
73915,CO-ADD:0284949,-6.1,c1(N(CC2)CCN2C(=O)c3cccc(OC)c3)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
73916,CO-ADD:0287508,-6.1,c1(C(=O)c2ccc(cc2)Cl)c(C)[nH]c(C(OCC)=O)c1C,0.0
73917,CO-ADD:0287986,-6.1,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CCCC2=O)C3c4ccc(c(O)c4)OC,0.0
73918,CO-ADD:0286271,-6.1,n1(C)cnnc1SCC(=O)Nc2ccc(cc2F)Cl,0.0
73919,CO-ADD:0299788,-6.1,N1(c2cccc(C)c2)C(=O)\C(=C\C=C\c3ccco3)\C(NC1=O)=O,0.0
73920,CO-ADD:0295036,-6.1,C(/CCC1)(\C1=O)=C/c(ccc(c2OC)OCc3ccccc3)c2,0.0
73921,CO-ADD:0295397,-6.1,c1(C2c3cccc(O)c3)c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
73922,CO-ADD:0295599,-6.1,C(C(=O)c1ccc(cc1)C)(C2c3ccc(c4c3)OCO4)=C(O)C(N2CCCC(O)=O)=O,0.0
73923,CO-ADD:0295178,-6.1,N1(CC(c2ccccc2)=O)c3c(N(CC)C1=N)cccc3,0.0
73924,CO-ADD:0295621,-6.1,N1C(c2ccc(cc2)OCc3cccc(cccc4)c34)SCC1C(O)=O,0.0
73925,CO-ADD:0292862,-6.1,c1(C(=O)N\N=C\c(ccc(c2CN3CCCc(cccc4)c34)OC)c2)nn(cc1I)C,0.0
73926,CO-ADD:0295232,-6.1,C(C(C)=O)(C1c2ccc(c(OC)c2)OC)=C(O)C(N1Cc3ccco3)=O,0.0
73927,CO-ADD:0295293,-6.1,C1(=C(C)N(N(c2ccccc2)C1=O)C)N3\C(=N\C)\SC=C3c4ccccc4.Br,0.0
73928,CO-ADD:0295516,-6.1,C1(SCC(C(O)=O)N1)c2ccc(cc2Cl)Cl.Cl,0.0
73929,CO-ADD:0292886,-6.1,n12c(nc(cc1C(F)(F)F)c3ccccc3)cc(C(=O)Nc4c(Br)cc(cc4F)F)n2,0.0
73930,CO-ADD:0295288,-6.1,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCN3C(c4ccc(cc4)F)c5ccc(cc5)F)C1=O,0.0
73931,CO-ADD:0285805,-6.1,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(ccc(c3OCC)OCc4ccccc4F)c3,0.0
73932,CO-ADD:0285271,-6.1,[N+](=O)([O-])c1cc(ccc1Oc(cc(C)cc2Oc3ccc(cc3[N+](=O)[O-])C#N)c2)C#N,0.0
73933,CO-ADD:0285248,-6.11,N1(c2cccc(F)c2)C(=O)\C(\SC1=S)=C/c3cc(Br)ccc3OCc4ccccc4F,0.0
73934,CO-ADD:0285264,-6.11,c1(C(=O)c(cc2)ccc2c(cc3)ccc3C(=O)c4c(N)c(c5s4)ccc(CCC)n5)c(N)c(c6s1)ccc(CCC)n6,0.0
73935,CO-ADD:0285666,-6.11,n(n(C)nn1)c1N,0.0
73936,CO-ADD:0285590,-6.11,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(C)=O)n1,0.0
73937,CO-ADD:0299774,-6.11,c1(c2c([nH]c1)cccc2)C(c(cc3)ccn3)c4c5c([nH]c4)cccc5,0.0
73938,CO-ADD:0299542,-6.11,c12c(cccc1[N+](=O)[O-])c(Br)ccc2[N+](=O)[O-],0.0
73939,CO-ADD:0285571,-6.11,P(O)(O)(=O)C(C)(C)NCCNC(C)(C)P(O)(O)=O,0.0
73940,CO-ADD:0299547,-6.11,c1(C(OCC)=O)cc2c(ccc(OC)c2)[nH]1,0.0
73941,CO-ADD:0292666,-6.11,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(NCCC)=O)n2,0.0
73942,CO-ADD:0293676,-6.11,[nH]1c(C)c(c(cccc2F)c12)CCN,0.0
73943,CO-ADD:0295155,-6.11,[N+](=O)([O-])c(cc1)ccc1C(NC(CCC)=O)NC(CCC)=O,0.0
73944,CO-ADD:0292544,-6.11,N(Cc1ccccc1)(C(C)CC(=N2)NC3CCCCC3)c4c2cccc4,0.0
73945,CO-ADD:0293560,-6.11,c1(OC(N)=C(C2c3c(cccc3Cl)Cl)C#N)c2c(n[nH]1)CCC,0.0
73946,CO-ADD:0294694,-6.11,N1c(ccc(c2)OC(F)(F)F)c2C3C(CC=C3)C1c4ccc(cc4)Br,0.0
73947,CO-ADD:0294335,-6.11,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(c(OCC)c5)O)cccc4,0.0
73948,CO-ADD:0292780,-6.11,c1(ccc(cc1N2CCCC2)N(CC3)CCO3)[N+](=O)[O-],0.0
73949,CO-ADD:0293675,-6.11,c12c(cccc1C(C)C)c(c(C)[nH]2)CCN,0.0
73950,CO-ADD:0292246,-6.11,N(Cc1ccccc1Cl)(c(cccc2)c2C3(O)CC(c4ccccc4)=O)C3=O,0.0
73951,CO-ADD:0292441,-6.11,c12c(C(N(C)C(=O)N1C)=O)n(c(N3CCCCC3)n2)CC(c4ccccc4)=O,0.0
73952,CO-ADD:0294546,-6.12,C(/c1c(N2CC(O)=O)cccc1)(\C2=O)=C(\Sc3n4c5c(cccc5)n3)/C4=O,0.0
73953,CO-ADD:0291361,-6.12,c12c(c(c(Br)cc1Nc(cc3)ccc3C)N)C(c4c(cccc4)C2=O)=O,0.0
73954,CO-ADD:0288056,-6.12,c12c(c3c(cccc3)OC1c4ccccc4)c(c(c5ccc(cc5)OC)n2C6CCCCC6)C,0.0
73955,CO-ADD:0291421,-6.12,S(=O)(=O)(c1ccc(cc1)OC)N2CCSC2c3ccc(cc3)OC,0.0
73956,CO-ADD:0286234,-6.12,c1(NC(CSC2=NC(C)=CC(=O)N2)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
73957,CO-ADD:0291464,-6.12,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc3cccc(F)c3,0.0
73958,CO-ADD:0285641,-6.12,S(CCCCCCCC)(CCl)(=O)=O,0.0
73959,CO-ADD:0299800,-6.12,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c3ccc(cc3OC)OC)\C1=O)=O,0.0
73960,CO-ADD:0286456,-6.12,C(C#N)(C(c1ccc(cc1)Cl)C2C(OC)=O)=C(SC)NC2=O,0.0
73961,CO-ADD:0286672,-6.12,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCCC2)C(=O)N(CC4)CCO4,0.0
73962,CO-ADD:0287412,-6.12,c1(c2c(sc1NC(=O)C3C(C3(C)C)\C=C(\Cl)/Cl)CCCC2)C(=O)OC(C)C,0.0
73963,CO-ADD:0286640,-6.12,C1(=Cc2c(OC1=O)cccc2)C(=O)N3CCCCC3,0.0
73964,CO-ADD:0299581,-6.12,S(N)(=O)(=O)c(ccc(c1NC(=O)c2cc(ccc2Cl)SC)C)c1,0.0
73965,CO-ADD:0294685,-6.12,N1(c2ccc(cc2)C)C(C)=Nc3c(ccc(c3)[N+](=O)[O-])C1=O,0.0
73966,CO-ADD:0295088,-6.12,c1(cc(n2)c3ccccc3)n2c(cc(C)n1)CC,0.0
73967,CO-ADD:0295499,-6.13,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1Cl)Cl)Nc2sc(c3c2C(N)=O)CCCC3,0.0
73968,CO-ADD:0295474,-6.13,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cccc(Cl)c5Cl)cccc4,0.0
73969,CO-ADD:0292462,-6.13,C1(C(c2ccccc2)N3)=C(CN(c4ccc(cc4)O)C1=O)N(C3=O)C,0.0
73970,CO-ADD:0293734,-6.13,C1(C2=O)C(C(N(CCC3)N13)c4ccc(cc4)OC)C(N2c(cc5)ccc5[N+](=O)[O-])=O,0.0
73971,CO-ADD:0292354,-6.13,n12c(S\C(=C/c(ccc3c(ccc(c4[N+](=O)[O-])Cl)c4)o3)\C1=O)nc(cc(Br)cn5)c25,0.0
73972,CO-ADD:0294500,-6.13,c12c(c(n[nH]1)c3ccc(cc3)C)C(N(c4ccc(cc4)F)C2=O)c5ccc(c6c5)OCO6,0.0
73973,CO-ADD:0295368,-6.13,c1(C2c3ccc(cc3)OC(=O)c4ccco4)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
73974,CO-ADD:0293860,-6.13,S(=O)(=O)(c1ccc(cc1)F)Nc(ccc(c2O3)OC34CCCCC4)c2,0.0
73975,CO-ADD:0293852,-6.13,c(C(OC)=O)(c1CC(C)C)c(C(F)(F)F)nc(C([H])(F)F)c1C(O)=O,0.0
73976,CO-ADD:0295757,-6.13,c1(NC(COc2c(F)c(F)cc(F)c2F)=O)sc(c3c1C(OC)=O)CCCC3,0.0
73977,CO-ADD:0296135,-6.13,S(C)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NC(C)C34C[C@]5([H])C[C@](C[C@](C5)([H])C3)([H])C4,0.0
73978,CO-ADD:0292896,-6.13,n12c(cc(C(=O)Nc(cc3)ccc3O)n1)nc4c(CCc(cccc5)c45)c2C(F)(F)F,0.0
73979,CO-ADD:0292668,-6.13,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc(cc4)ccc4Cl)n2,0.0
73980,CO-ADD:0295025,-6.13,c(C(=O)Nc1ccccc1C#N)(c2N)sc3c2cc(c4n3)CCC4,0.0
73981,CO-ADD:0292864,-6.13,[N+](=O)([O-])c1cccc(c1)\C=C\C(=O)NC2C(C3)CC(CC3C4)CC24,0.0
73982,CO-ADD:0292428,-6.14,c1(nnc(c23)cc(c(OC)c2)OC)c3c(nn1c4ccccc4)c5ccccc5,0.0
73983,CO-ADD:0285200,-6.14,N1(C)C(=O)\C(\OC1=S)=C/C=C/C=C/N(c2ccccc2)C(C)=O,0.0
73984,CO-ADD:0290437,-6.14,N(C(=O)CSc(nnc1NC(CSc2nnc(N)s2)=O)s1)(c3c4cccc3)c5c(S4)cccc5.O,0.0
73985,CO-ADD:0290691,-6.14,c1(c2ccccc2O)sc(c3n1)cccc3,0.0
73986,CO-ADD:0287156,-6.14,c12c(c(ccc1N=NN(O)c3ccccc3)Cl)C(c4c(cccc4)C2=O)=O,0.0
73987,CO-ADD:0290517,-6.14,[n+]1(c2c(s3)cccc2)c3SCC1(C)CI.[I-],0.0
73988,CO-ADD:0290429,-6.14,C(c1ccccc1)(c2ccccc2)(c3ccccc3)SCC(N)=O,0.0
73989,CO-ADD:0285881,-6.14,C1(CC(C)=O)(C#N)C(N)=C(CC1(C#N)C#N)C=O,0.0
73990,CO-ADD:0285267,-6.14,N1(CC(=O)N(CC)CC)c(cccc2)c2\C(=N\NC(=O)c3ccccc3C)\C1=O,0.0
73991,CO-ADD:0285019,-6.14,n1c(c2ccc(cc2)F)[nH]c(c3ccccc3)c1c(cc4)ccc4c5c(c6ccccc6)[nH]c(c7ccc(cc7)F)n5,0.0
73992,CO-ADD:0284948,-6.14,c1(SCC(=O)Nc2c(OC)ccc(OC)c2)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
73993,CO-ADD:0285270,-6.14,N1(c(cccc2C(F)(F)F)c2)C(C)(CC(NC1=S)(C)C)c3ccc(cc3OC(C)=O)OC(C)=O,0.0
73994,CO-ADD:0291628,-6.14,c1(NC(CCCC)=O)nnc(CC(C)C)s1,0.0
73995,CO-ADD:0289197,-6.14,C(=O)(c1ccc(cc1)OCC2CCCN2)NC(C)C.Cl,0.0
73996,CO-ADD:0290794,-6.14,c1(cc(C#N)c(cc1Sc2oc(c3n2)cccc3)C#N)[N+](=O)[O-],0.0
73997,CO-ADD:0291999,-6.14,c1(ccc(cc1Cl)[N+](=O)[O-])C(=O)N(CC2)CCO2,0.0
73998,CO-ADD:0299970,-6.14,N1(CC(CC1C2)(C)CC2(C)C)C(=O)c(cc3)ccc3[N+](=O)[O-],0.0
73999,CO-ADD:0286947,-6.15,n1(c2ccc(cc2)C)c(c3ccccc3)c(cc1c4ccccc4)\C=N\NC(=O)c5ccc(cc5)Cl,0.0
74000,CO-ADD:0295958,-6.15,C(C(=O)c1ccc(cc1)C)(C2c3ccc(c4c3)OCO4)=C(O)C(N2Cc(cccn5)c5)=O,0.0
74001,CO-ADD:0294734,-6.15,C(C(c1ccccc1)=O)(=C(O)C(N2CCOC)=O)C2c3cc(OC)ccc3OC,0.0
74002,CO-ADD:0293218,-6.15,S(NCCC(O)=O)(=O)(=O)c1ccc(c2c1)cccc2,0.0
74003,CO-ADD:0294376,-6.15,n1c2c(oc1c3ccc(cc3)I)ccc(c2)NC(=O)c4cc(c5o4)cccc5,0.0
74004,CO-ADD:0294361,-6.15,c1(c2ccccc2Br)oc(c3n1)ccc(c3)NC(=O)c4cc(Br)ccc4Cl,0.0
74005,CO-ADD:0292297,-6.15,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(CC)=O)n1,0.0
74006,CO-ADD:0293403,-6.15,C1(\C(=N\c(cc2)ccc2S(N)(=O)=O)\SS3)=C3C(Nc(cc(C)c(C)c4)c14)(C)C,0.0
74007,CO-ADD:0295108,-6.15,N1C(C(Cl)(Cl)Cl)OC(c(cc(Br)cc2Br)c12)(C)C,0.0
74008,CO-ADD:0294006,-6.15,c1(cc(ccc1N(CC2)CCN2C)\C=C\c3nc(O)nc(O)c3[N+](=O)[O-])[N+](=O)[O-],0.0
74009,CO-ADD:0293996,-6.15,c1(cc(C#N)c(cc1N(CC2)CCN2c3cc(C#N)c(cc3[N+](=O)[O-])C#N)C#N)[N+](=O)[O-],0.0
74010,CO-ADD:0293820,-6.15,c1(c(C)nn(c2ccccc2)c1Cl)C(=O)Nc3sc(c(C)c3C(OC)=O)C,0.0
74011,CO-ADD:0292405,-6.15,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(c(cccc4)c4n5Cc6ccccc6)c5)\C1=O,0.0
74012,CO-ADD:0292856,-6.15,n1(c2ccccc2)c(C)c(c(C)n1)CNC(=O)c(ccc(c34)OCO3)c4,0.0
74013,CO-ADD:0295026,-6.15,c(C(=O)Nc1scc(c2ccccc2)n1)(c3N)sc4c3cc(c5n4)CCCC5,0.0
74014,CO-ADD:0293031,-6.16,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1cccc(Cl)c1)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
74015,CO-ADD:0295257,-6.16,c12c(n(c(NCCOc3cc(C)ccc3C(C)C)n1)C)C(N(C)C(=O)N2C)=O,0.0
74016,CO-ADD:0293840,-6.16,[C@]123[C@](c4c(cccc4)C1=O)(OC(C)=C2C(OCCC)=O)OC(N)=C3C#N,0.0
74017,CO-ADD:0293807,-6.16,c1(c(O)cc(c(C#N)c1)C#N)[N+](=O)[O-],0.0
74018,CO-ADD:0286182,-6.16,c1(cc(oc1C)C)C(=O)Nc(cccc2\C=C\C(O)=O)c2,0.0
74019,CO-ADD:0287527,-6.16,C(C(=O)c1ccc(cc1)Br)(C2c(cccn3)c3)=C(O)C(N2c4ccccn4)=O,0.0
74020,CO-ADD:0286575,-6.16,C(/C(C)=NN1c2ccccc2)(=C(/c3c(cccc3)CC45CCCCC4)\N5)\C1=O,0.0
74021,CO-ADD:0290828,-6.16,S(=O)(=O)(c1ccc(cc1C)C)N(CC2)CCN2c3ccc(cc3)F,0.0
74022,CO-ADD:0299275,-6.16,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1F)Nc2sc(c3c2C(N)=O)CCCC3,0.0
74023,CO-ADD:0299461,-6.16,c1(cc(ccc1N(CC2)CCN2c3cc(C)nc(cccc4)c34)C(F)(F)F)[N+](=O)[O-],0.0
74024,CO-ADD:0299359,-6.16,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(O)=O)n2)Cc3ccc(cc3Cl)F,0.0
74025,CO-ADD:0285235,-6.16,C1(N(c2ccc(cc2)C)CCN1c3ccc(cc3)C)c4c(OC)ccc(cccc5)c45,0.0
74026,CO-ADD:0285021,-6.16,c1(C2c3ccccc3)c(CCN2C(=O)c(cc4)ccc4[N+](=O)[O-])c5c(cccc5)[nH]1,0.0
74027,CO-ADD:0285671,-6.16,[N+](=O)([O-])c(cc1)ccc1c2ccc(cc2)N,0.0
74028,CO-ADD:0285232,-6.16,c1(c(NCCOc2cccc(cccc3)c23)ccc(c1)[N+](=O)[O-])C(F)(F)F,0.0
74029,CO-ADD:0292102,-6.16,N1(C(=O)c2c(c3C1=O)c(ccc2)c(cc3)Br)c4c(C)nn(c(cc5)ccc5[N+](=O)[O-])c4C,0.0
74030,CO-ADD:0299997,-6.16,C(=C\c(ccc(c1[N+](=O)[O-])C)c1)(/C2=O)\Sc(c23)cccc3,0.0
74031,CO-ADD:0285039,-6.16,S1(=O)(=O)c(cccc2)c2C(Nc(c(C)c3)cc(c3OC(=O)c4ccccc4F)C(C)C)=N1,0.0
74032,CO-ADD:0292035,-6.16,c1(nnc(CSCc2ccccc2)s1)NC(=O)c3ccc(cc3)Br,0.0
74033,CO-ADD:0285226,-6.16,C(c1ccc(cc1)OC)(CC(c2ccccc2)NC3=S)(N3)c4ccc(cc4OC(C)=O)OC(C)=O,0.0
74034,CO-ADD:0289295,-6.16,C(=O)(NCc(ccc(c1C)C)c1)C(C)(CC2)CCN2.Cl,0.0
74035,CO-ADD:0285310,-6.17,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c3ccccc3)\C1=O)C,0.0
74036,CO-ADD:0295219,-6.17,N1=C(c2ccc(cc2)Br)CC(c3ccc(cc3)Cl)N1c4ccccc4,0.0
74037,CO-ADD:0292518,-6.17,N(CCC(N1CCC)=O)(C(C)=O)c2c1cccc2,0.0
74038,CO-ADD:0293033,-6.17,C(NC(CCCC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C#N)CCCC2,0.0
74039,CO-ADD:0292929,-6.17,S(CCCCCCCCCC)(CCO)=O,0.0
74040,CO-ADD:0292895,-6.17,n12c(cc(C(=O)Nc(cc3)ccc3OC(F)(F)F)n1)nc4c(CCc(cccc5)c45)c2C(F)(F)F,0.0
74041,CO-ADD:0295666,-6.17,n1(c2ccccc2OC)c(ccc(c3)NCc(cc4)ccc4N(C)C)c3nc1,0.0
74042,CO-ADD:0294007,-6.17,c1(c(C)nn(c2ccccc2)c1O)C(c3ccccc3OCc(cc4)ccc4F)c5c(C)nn(c6ccccc6)c5O,0.0
74043,CO-ADD:0294955,-6.17,N1(c(ccc(c2S3)NC3=S)c2)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
74044,CO-ADD:0295008,-6.17,c(Br)(c1Br)c(O)c(cc1\C=C(\c(cc2)ccc2[N+](=O)[O-])/C#N)OC,0.0
74045,CO-ADD:0292303,-6.17,N1C(c2ccc(cc2)CC)Oc(c3C1=O)cccc3,0.0
74046,CO-ADD:0293095,-6.17,c1(C(=O)Nc2ccccn2)c3c(sc1NC(=O)c4cccc(C)c4)CC(C)CC3,0.0
74047,CO-ADD:0296117,-6.18,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2C(=O)CN(CC3)CCN3c(cc4)ccc4[N+](=O)[O-],0.0
74048,CO-ADD:0292713,-6.18,C12(c(cccc3)c3C(c4ccc(cc4)CC)(c5ccc(cc5)CC)S1)N(c(cc6)ccc6[N+](=O)[O-])N=C(C(C)=O)S2,0.0
74049,CO-ADD:0295579,-6.18,S(=O)(=O)(Nc(cc1)ccc1OC)c2cc(ccc2N3CCCCC3)[N+](=O)[O-],0.0
74050,CO-ADD:0292728,-6.18,N1(c2ccccc2C)C(=O)NC(\C(=C/c(ccc(c34)OCO3)c4)\C1=O)=O,0.0
74051,CO-ADD:0293272,-6.18,n1(CC2CO2)c3c(c(cc(Br)cc4Br)c14)cc(Br)cc3,0.0
74052,CO-ADD:0295688,-6.18,C(C(OCC=C)=O)(C1c2ccco2)=C(C)N(C3=C1C#N)CCS3,0.0
74053,CO-ADD:0296151,-6.18,c1(C(O)=O)cc(nn1C)CCC,0.0
74054,CO-ADD:0291242,-6.18,c1(SC(C)C)sc2c(ccc(c2)NC(=O)c3ccccc3C(O)=O)n1,0.0
74055,CO-ADD:0299478,-6.18,n1(c2ccc(cc2C)C)c(c3ccc(cc3)Cl)cc(c4ccc(cc4)Cl)n1,0.0
74056,CO-ADD:0291269,-6.18,n1(nnc(C(=O)OC(C)C)c1CN2CCc(cccc3)c23)c4nonc4N,0.0
74057,CO-ADD:0285131,-6.19,C(=C\c(ccc1c(ccc(c2C(O)=O)Cl)c2)o1)(/C(=O)NN3c4cccc(Cl)c4)\C3=O,0.0
74058,CO-ADD:0287537,-6.19,C(C#N)(C(c(ccs1)c1)C2=C(N3c4ccc(cc4F)Br)CCCC2=O)=C3N,0.0
74059,CO-ADD:0300002,-6.19,c12c(C(N(C)C(=O)N1C)=O)n(c(Sc3nncn3C)n2)Cc(ccc(c4Cl)Cl)c4,0.0
74060,CO-ADD:0290331,-6.19,C(=C/C#N)(/N1)\c2c(CC1(C)C)cc(OC)c(OC)c2,0.0
74061,CO-ADD:0290284,-6.19,N1(C2c3c(OC)ccc(cccc4)c34)C(S\C(=C\c(cc5)ccc5O)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
74062,CO-ADD:0290308,-6.19,N12C(S\C(=C\c(ccc(c3)N(CC)CC)c3OC)\C1=O)=NC(C)=C(C(C)=O)C2c4c(OC)ccc(cccc5)c45,0.0
74063,CO-ADD:0286266,-6.19,n1(nnc(C(OCC)=O)c1CN(CC2)CCN2c3ccccn3)c4nonc4N,0.0
74064,CO-ADD:0291072,-6.19,C(C(=O)c1ccc(cc1)C)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2CCCn(ccn4)c4)=O,0.0
74065,CO-ADD:0286892,-6.19,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)NC4CCCCC4)c2)nnnn1C,0.0
74066,CO-ADD:0291888,-6.19,C(/C(=S)C1(C)C)(\c2c(N1)ccc(C)c2)=C(\SC=C3C(OCC)=O)/S3,0.0
74067,CO-ADD:0292160,-6.19,C(/c(cccc1)c12)(\C(=S)C(N2C(=O)c3ccc(cc3)F)(C)C)=C(/SC(=C4C(OC)=O)C(OC)=O)\S4,0.0
74068,CO-ADD:0291504,-6.19,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(=O)NC(C)CC)c1Cl,0.0
74069,CO-ADD:0291609,-6.19,N1(c2ccc(cc2)Cl)CC(CC1=O)C(=O)Nc3c(C)cc(cc3C)C,0.0
74070,CO-ADD:0292137,-6.19,n1c2c(oc1c(ccc(c3NC(=O)c4cccc(OCC)c4)C)c3)cccn2,0.0
74071,CO-ADD:0293858,-6.19,[N+](=O)([O-])c(ccc(n1)NCc(cc2)ccc2OC)c1,0.0
74072,CO-ADD:0294108,-6.19,N1(C2CCCCCC2)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
74073,CO-ADD:0293231,-6.19,c12c(cc(cc1C(c3ccccc3)=O)Cl)C4C(C(c5ccc(cc5)F)N2)CC=C4,0.0
74074,CO-ADD:0293573,-6.19,C(=O)(N1CCC(CC1)C)c2ccccc2NC(=O)c3ccco3,0.0
74075,CO-ADD:0292689,-6.19,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccc(c4c3[N+](=O)[O-])OCO4,0.0
74076,CO-ADD:0296025,-6.19,c1(c2c([nH]c1O)cccc2)N=NC(=O)C(O)(c3ccc(cc3)C)c4ccc(cc4)C,0.0
74077,CO-ADD:0295102,-6.19,C(=S)(Nc1ccccc1)NC(c2ccccc2)CC(c3ccccc3)=O,0.0
74078,CO-ADD:0292860,-6.19,c1(NC(CSc2nncn2C)=O)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
74079,CO-ADD:0294019,-6.19,c12c(cccc1)ccc(COc(cc3)ccc3C=O)c2,0.0
74080,CO-ADD:0295444,-6.19,C(C(OCC)=O)(C1c(cc2)ccc2C(F)(F)F)=CN(C=C1C(OCC)=O)c3ccc(cc3)OCC,0.0
74081,CO-ADD:0293740,-6.19,n(CC(=O)Nc(c1)cc(cc1C)C)(c2c(c3C=O)cccc2)c3C,0.0
74082,CO-ADD:0295980,-6.19,C(C(OCC)=O)(NC(CC(C)C)=O)(C(F)(F)F)Nc1sc(c2c1C#N)CCCCC2,0.0
74083,CO-ADD:0293126,-6.19,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CCCC2=O)C3c(ccs4)c4,0.0
74084,CO-ADD:0293581,-6.19,c12c(cc(cc1C(c3ccccc3)=O)Cl)C(C4Cl)C(C(c5ccccc5F)N2)CC4Sc6ccccc6[N+](=O)[O-],0.0
74085,CO-ADD:0293199,-6.19,c1(c(C)nc2n1cccn2)c3csc(Nc(cccc4C(C)=O)c4)n3.Br,0.0
74086,CO-ADD:0293709,-6.2,N1(c2ccc(cc2)OC(F)(F)Cl)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
74087,CO-ADD:0295744,-6.2,C(=O)(c1ccc(cc1)N)N(CC2)CCO2,0.0
74088,CO-ADD:0295836,-6.2,c12c(n(cn1)CC(=O)NCc3ccccc3)C(N(C)C(=O)N2C)=O,0.0
74089,CO-ADD:0287563,-6.2,c1(c2c([nH]c1C)cccc2)C(c3ccc(Br)o3)c4c5c([nH]c4C)cccc5,0.0
74090,CO-ADD:0287864,-6.2,c1(n(CC(=O)N1c2ccc(c(C)c2)C)c(c34)C(=O)N(C(=O)N3C)C)n4,0.0
74091,CO-ADD:0287448,-6.2,c12c(ccc(C)c1N=NN(O)c3ccccc3)C(=O)c(c4C2=O)cccc4,0.0
74092,CO-ADD:0287456,-6.2,c1(OC(N)=C(C2c3cc(OC)c(cc3OC)OC)C#N)c2c(n[nH]1)C,0.0
74093,CO-ADD:0292177,-6.2,C(/c1c(N2CC(OCC)=O)cccc1)(\C2=O)=C(\SC(N3c4ccccc4)=S)/C3=O,0.0
74094,CO-ADD:0287427,-6.2,C1(C)(NN=C2C(OC)=O)C2C(N(c3ccc(cc3)C)C1=O)=O,0.0
74095,CO-ADD:0290355,-6.2,C(C#N)(C(c1ccc(c2c1)OCO2)C3=C(N4c5ccc(cc5OC)OC)CC(C)(C)CC3=O)=C4N,0.0
74096,CO-ADD:0287635,-6.2,c1(ccc(cc1Cl)Cl)C(=O)Nc(cc2)ccc2NCc(cccn3)c3,0.0
74097,CO-ADD:0299691,-6.2,n1(cnnn1)c2ccc(cc2OC)OC,0.0
74098,CO-ADD:0299156,-6.2,n1(C)cnnc1SCC(=O)Nc2cc(on2)C,0.0
74099,CO-ADD:0299214,-6.2,C(C(OCC)=O)(NC(CC(C)C)=O)(C(F)(F)F)Nc1sc(c(CC)c1C#N)C,0.0
74100,CO-ADD:0299230,-6.2,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)Nc(cc3)ccc3O,0.0
74101,CO-ADD:0289178,-6.2,c1(C(OCC)=O)c(C)c(c(C)[nH]1)\C=C\C(O)=O,0.0
74102,CO-ADD:0287674,-6.2,N1(c2ccc(c(C)c2)C)C(=O)C(C3C1=O)C(C=C4)\C(\C34)=C(\C)/C,0.0
74103,CO-ADD:0299432,-6.2,N1(c2cccc(OC(C)=O)c2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C(OC)=O,0.0
74104,CO-ADD:0286208,-6.2,C(C(C)=O)(C1c2ccccc2Cl)=C(O)C(N1c3ccccc3)=O,0.0
74105,CO-ADD:0290515,-6.2,c12n(cc(c3ccc(cc3)N)n1)nc(C)s2,0.0
74106,CO-ADD:0285168,-6.2,C1(=C(c2c(cccc2)CC13CCCCC3)NC(N4c5ccc(cc5)C)=S)C4=O,0.0
74107,CO-ADD:0295816,-6.21,N1(c2ccc(cc2)OCC)C(=O)CC(N(CC3)CCC3C(O)(c4ccccc4)c5ccccc5)C1=O,0.0
74108,CO-ADD:0295363,-6.21,c1(OC(N)=C(C2c3ccccc3[N+](=O)[O-])C#N)c2c(n[nH]1)CC,0.0
74109,CO-ADD:0293000,-6.21,c1(ccccc1C(O)=O)\C(\c2ccc(cc2)O)=C(/C=C3)\C=CC3=O,0.0
74110,CO-ADD:0295825,-6.21,N1(c2ccccc2)C(=O)C(CC1=O)NCC3CCCCC3,0.0
74111,CO-ADD:0292636,-6.21,c1(NC(=O)Cn(c2c(n3)cccc2)c3)sc(c4c1C(OCC)=O)CCCC4,0.0
74112,CO-ADD:0293044,-6.21,S(=O)(=O)(N(CC)C1C2OC(C(O1)O3)OC(C3N4CC)N(S4(=O)=O)CC)N2CC,0.0
74113,CO-ADD:0295241,-6.21,c1(cn(nc1C(=O)Nc2sc(c3c2C(=O)OC(C)C)CCCC3)C)[N+](=O)[O-],0.0
74114,CO-ADD:0296136,-6.21,[N+](=O)([O-])c1ccc(cc1NC(C)C23C[C@]([H])(C[C@](C4)([H])C2)C[C@@]4([H])C3)N(CC5)CCN5C(=O)c6ccc(cc6)Cl,0.0
74115,CO-ADD:0292855,-6.21,[N+](=O)([O-])c(cc1)cc(c1C(=O)N\N=C\c(c2)c(C)n(n2)C)Cl,0.0
74116,CO-ADD:0295894,-6.21,c1(OC(N)=C(C2c3cc(OC)c(cc3OC)OC)C#N)c2c(n[nH]1)COC,0.0
74117,CO-ADD:0294810,-6.21,[N+]([O-])(=Nc1nonc1O)c2nonc2O,0.0
74118,CO-ADD:0294456,-6.21,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc(cc3)ccc3OCC(=O)N(CC4)CCO4,0.0
74119,CO-ADD:0292804,-6.21,S(=O)(=O)(NCc1ccccn1)c(cccc2[N+](=O)[O-])c2,0.0
74120,CO-ADD:0293578,-6.21,C(=N/NC(=O)Cc1csc(N)n1)(/c2c(N3CC=C)cccc2)\C3=O,0.0
74121,CO-ADD:0292680,-6.21,c12c(n(c(SCC(=O)NC(C)(C)C)n1)CC)C(N(C)C(=O)N2C)=O,0.0
74122,CO-ADD:0294838,-6.21,c1(CC2(C)C)c(ccc(cccc3)c13)C(=N2)CCl,0.0
74123,CO-ADD:0296094,-6.21,c(ncn1c2nc(OC)nc(OC)n2)(n1)S(N)(=O)=O,0.0
74124,CO-ADD:0296146,-6.21,c1(C(=O)N(CC2)CCO2)c(cc(cc1[N+](=O)[O-])OC)[N+](=O)[O-],0.0
74125,CO-ADD:0287181,-6.22,C(C(OCC)=O)(=C(CCC)OC(=C1C#N)N)C1c(ccc(c2CSc3ccccn3)OC)c2,0.0
74126,CO-ADD:0291879,-6.22,c1(sc2c(ccc(OC)c2)n1)NC(=O)c3ccccc3[N+](=O)[O-],0.0
74127,CO-ADD:0291438,-6.22,c1(c2c(sc1NC(=O)c3ccccc3Cl)CCCC2)C(=O)Nc(cc4)ccc4Br,0.0
74128,CO-ADD:0287158,-6.22,n12c(nc(cc1C(F)(F)F)c3ccccc3)cc(C(=O)NNC(=O)c4cccc(OC)c4)n2,0.0
74129,CO-ADD:0299374,-6.22,C(=C/c(ccc1c2ccc(cc2C(O)=O)Cl)o1)(/C(=O)NC(N3)=O)\C3=O,0.0
74130,CO-ADD:0299816,-6.22,N1(c(cccc2C(F)(F)F)c2)C(=O)NC(\C(=C/c(ccc(c3OC)O)c3)\C1=O)=O,0.0
74131,CO-ADD:0299630,-6.22,N1(c2ccc(cc2C)C)C(=O)c3c(cc(cc3)Oc4cccc(N)c4)C1=O,0.0
74132,CO-ADD:0285442,-6.22,c(C(=O)Nc1cccc(OC)c1)(n(C)nc2C(=O)Nc3cccc(OC)c3)c2,0.0
74133,CO-ADD:0290302,-6.22,N12C(S\C(=C\c(c3c([nH]4)cccc3)c4)\C1=O)=NC(C)=C(C(C)=O)C2c5c(OC)ccc(cccc6)c56,0.0
74134,CO-ADD:0290591,-6.22,C1(O)(CC(=O)c2c(ccc(OC)c2)O1)C(F)(F)F,0.0
74135,CO-ADD:0290599,-6.23,c12c(nnc(SCC(=O)N(c3ccccc3)c4ccccc4)n1)c(c5n2C)cc(cc5)Br,0.0
74136,CO-ADD:0290428,-6.23,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3sccc3C)c4sc(c5c4C#N)CCCC5,0.0
74137,CO-ADD:0299935,-6.23,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(C)c3C)C2c4cccs4,0.0
74138,CO-ADD:0290303,-6.23,N12C(S\C(=C\c(ccc(c3OC)OC)c3)\C1=O)=NC(C)=C(C(C)=O)C2c4c(OC)ccc(cccc5)c45,0.0
74139,CO-ADD:0299460,-6.23,c1(cc(ccc1N(CC2)CCN2C)C(=O)N(CC3)CCO3)[N+](=O)[O-],0.0
74140,CO-ADD:0299900,-6.23,n1(CC(OCC)=O)nc(nn1)CC(OCC)=O,0.0
74141,CO-ADD:0296081,-6.23,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cccc(c5)OCc6ccccc6)cccc4,0.0
74142,CO-ADD:0293913,-6.23,C(/C(=O)C(=O)OC(C)C)=C(\c1ccccc1)/Nc(cc2)ccc2Br,0.0
74143,CO-ADD:0293898,-6.23,c1(cc(ccc1N(CC2)CCC2C(=O)Nc(c(OC)ccc3C(F)(F)F)c3)C(F)(F)F)[N+](=O)[O-],0.0
74144,CO-ADD:0292835,-6.23,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c(cc3)cc(c3OC(=O)N(CC4)CCO4)OCC,0.0
74145,CO-ADD:0294121,-6.23,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(CCC)=O)F,0.0
74146,CO-ADD:0294105,-6.23,C1(=C2O)C(c(c23)cccc3)=Nc4c(cccc4)SC1c5ccco5,0.0
74147,CO-ADD:0295240,-6.23,c(cnn1CC(=O)NCC2CCCO2)(c1)[N+](=O)[O-],0.0
74148,CO-ADD:0295262,-6.24,C(C#N)(C1c2ccc(cc2)OCCC)=C(N)OC(CCCC3=O)=C13,0.0
74149,CO-ADD:0294655,-6.24,c1(C(OCC)=O)c2c([nH]c1C)ccc(OC)c2,0.0
74150,CO-ADD:0294317,-6.24,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc5)ccn5)cccc4,0.0
74152,CO-ADD:0295585,-6.24,S(=O)(=O)(c1c(N2C(OC)=O)ccc(c1)[N+](=O)[O-])C2C(OC)=O,0.0
74153,CO-ADD:0293596,-6.24,C(C(F)(F)F)(C(F)(F)F)(NC(c1ccccc1)=O)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
74154,CO-ADD:0292432,-6.24,c1(cn(c(C)n1)CC(NCCO)=O)[N+](=O)[O-],0.0
74155,CO-ADD:0293390,-6.24,S(=O)(=O)(N(CC1)CCO1)c2cc(ccc2N(CC3)CCN3CC)[N+](=O)[O-],0.0
74156,CO-ADD:0295459,-6.24,C12(c3c(C(=O)O1)cccc3)c(ccc(c4)N(CC)CC)c4Oc(cc(C)c(Nc5ccccc5)c6)c26,0.0
74157,CO-ADD:0295694,-6.24,c1(c2c(sc1NC(=O)c(cccc3C(F)(F)F)c3)CCCC2)C(=O)OC(C)C,0.0
74158,CO-ADD:0299720,-6.24,S(C)(=O)(=O)N(CC1)C(C)CN1c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],0.0
74159,CO-ADD:0299999,-6.24,N1(c2ccc(c(C)c2)C)C(=O)\C(\SC1=N)=C\c(cc(OCO3)c3c4)c4Cl,0.0
74160,CO-ADD:0299936,-6.24,C(=C(C)NC(=C1C#N)SCC(=O)Nc(cc2)ccc2OCC)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
74161,CO-ADD:0299976,-6.24,N1(C(C)CCCC1C)C(=O)c2ccc(cc2)NC(=O)c3ccccc3OC,0.0
74162,CO-ADD:0285462,-6.24,n1(CC=C)c(S)nnc1C(CCCC)CC(COCCC)O,0.0
74163,CO-ADD:0285478,-6.24,c1(NC(=O)c2cccc(C)c2)n(c3ccccc3)ncc1C(=O)Nc(cc4)ccc4C,0.0
74164,CO-ADD:0287402,-6.24,N1(C2c3cccc(OC)c3)C(S\C(=C/c4ccccc4Cl)\C1=O)=NC(C)=C2C(OCC)=O,0.0
74165,CO-ADD:0291867,-6.24,C1([N+](=O)[O-])=C(Nc2cccc(OC)c2)c3c(cccc3)OC1=O,0.0
74166,CO-ADD:0286724,-6.24,n1(c(cc2)ccc2C(N)=O)nnnc1SCc(cc3)ccc3Cl,0.0
74167,CO-ADD:0286734,-6.24,N1(c2ccccc2)C(=O)\C(\NC1=S)=C/C=C(/C(C)(C)c(c34)cccc3)\N4C,0.0
74168,CO-ADD:0290529,-6.24,c12c(ccc3c1OC(=O)C=C3C)O\C(=N/Nc4cccc(C)c4)\C2=O,0.0
74169,CO-ADD:0299775,-6.24,N1(c2ccccc2C)C(=O)NC(\C(=C/c3cc(OC)ccc3OC)\C1=O)=O,0.0
74170,CO-ADD:0285584,-6.25,C12c(cccc3)c3C(C(C)C1C(=O)Nc4cccc(C)c4C)c(cccc5)c25,0.0
74171,CO-ADD:0295618,-6.25,c12c(nnc(SC(CC)C(=O)Nc(cc3)ccc3OC(F)(F)F)n1)c4c(cccc4)n2CCC,0.0
74172,CO-ADD:0294312,-6.25,c1(cc(ccc1N2CCCCCC2)[N+](=O)[O-])C(=O)Nc3ccccc3OCC,0.0
74173,CO-ADD:0294370,-6.25,c1(c(cccc2NC(=O)c3ccccc3[N+](=O)[O-])c2)[nH]c(c4n1)cccc4,0.0
74174,CO-ADD:0294056,-6.25,C1=C(NCc(cccn2)c2)C3(OC1=O)CCCCC3,0.0
74175,CO-ADD:0293752,-6.25,C(C(c1ccccc1)=O)(C2c3ccccc3)=C(O)C(N2CCNC(C)=O)=O,0.0
74176,CO-ADD:0293303,-6.25,c(c(C)nc1NC(CC)=O)(s1)c2csc(Nc3cccc(O)c3)n2,0.0
74177,CO-ADD:0295686,-6.25,C1(C(C)=O)=C(Nc(cc2)ccc2OC)CC(C)(O)C(C(C)=O)C1c3ccc(cc3)C,0.0
74178,CO-ADD:0293463,-6.25,N1(C(Cc2ccccc2)C(=O)N3C(C)(C)C=C(c(ccc(OCC)c4)c34)C)C(=O)c5c(cccc5)C1=O,0.0
74179,CO-ADD:0292393,-6.25,n1(c2ccccc2)nnnc1SCc(cc(OCO3)c3c4)c4Cl,0.0
74180,CO-ADD:0294669,-6.25,c1(C(CCC(O)=O)=O)oc(c2c1N)ccc(Cl)c2,0.0
74181,CO-ADD:0295936,-6.25,C1(C#N)=C(N)OC(=C2C1c(ccc(c3[N+](=O)[O-])N(CC4)CCO4)c3)CCCC2=O,0.0
74182,CO-ADD:0286994,-6.25,c1(c(C)cc(nc1Cl)Cl)C(=O)Nc(cc2)ccc2OC,0.0
74183,CO-ADD:0299298,-6.26,N1(c2ccc(cc2Cl)C)C(=O)c3c(cc(cc3)Br)C1=O,0.0
74184,CO-ADD:0291239,-6.26,c1(N(CC2)CCN2C(=O)c3ccc(cc3)Cl)sc(c4n1)cccc4,0.0
74185,CO-ADD:0291272,-6.26,N1(c2cc(OC)nc(OC)n2)C(=O)C3C(C4CC3C=C4)C1=O,0.0
74186,CO-ADD:0299492,-6.26,N1(c2c(C)ccc(Cl)c2)C(=O)c3c(C(C)=N1)cccc3,0.0
74187,CO-ADD:0287901,-6.26,C(C(OCC)=O)(C(F)(F)F)(NC(OCC)=O)Nc1sc(c2c1C(OC)=O)CCCC2,0.0
74188,CO-ADD:0287253,-6.26,C(C(F)(F)F)(C(F)(F)F)(NS(c1ccccc1)(=O)=O)c2c(C)nn(c3ccccc3)c2O,0.0
74189,CO-ADD:0287663,-6.26,C(C(C)=O)(C1c2ccc(cc2)Cl)=C(O)C(N1Cc3ccccc3)=O,0.0
74190,CO-ADD:0287920,-6.26,c1(C#N)c(cc(nc1SCC(=O)NC(C)C23CC4CC(CC(C4)C2)C3)C)C(F)(F)F,0.0
74191,CO-ADD:0287664,-6.26,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)Br)=C(O)C(N2c(cc4)ccc4S(=O)(=O)Nc5sccn5)=O,0.0
74192,CO-ADD:0287384,-6.26,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCCCO,0.0
74193,CO-ADD:0291043,-6.26,S(=O)(=O)(c1ccc(cc1C)Cl)Oc2c(Br)cc(c(cccn3)c23)Br,0.0
74194,CO-ADD:0285045,-6.26,c1(NC(=O)c(cc2)ccc2[N+](=O)[O-])sc(c(CCN3C(OCC)=O)c1C(OCC)=O)C3,0.0
74195,CO-ADD:0285405,-6.26,C(C(=O)c1ccc(cc1)Br)(C2c3ccccc3F)=C(O)C(N2CCO)=O,0.0
74196,CO-ADD:0285470,-6.27,C1(=Cc2c(OC1=O)ccc(OC)c2)c3csc(Nc4ccccc4OC)n3,0.0
74197,CO-ADD:0285717,-6.27,C1(=O)N(c2ccc(cc2)OC(Cl)(F)F)Sc(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c13,0.0
74198,CO-ADD:0285397,-6.27,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Cl)=C(O)C(N2CCc4ccccc4)=O,0.0
74199,CO-ADD:0292604,-6.27,N1(N=C(\C(=C\c(cc2)ccc2N(CC)CC)\C1=O)c3ccccc3)c4scc(c5ccc(cc5)Cl)n4,0.0
74200,CO-ADD:0295567,-6.27,c1(cn[nH]c1C(NCCCC)=O)[N+](=O)[O-],0.0
74201,CO-ADD:0292854,-6.27,c1(cc(F)ccc1F)C(=O)N\N=C\c(c2)c(C)n(n2)C,0.0
74202,CO-ADD:0295239,-6.27,c1(NC(=O)Cn(ccc2[N+](=O)[O-])n2)sc(c3c1C(OC)=O)CC(CC3)CC,0.0
74203,CO-ADD:0293525,-6.27,c1(C2c3ccc(c(Cl)c3)Cl)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
74204,CO-ADD:0292248,-6.27,N(C)(C(OC(C)=O)C(N1C)OC(C)=O)C1=O,0.0
74205,CO-ADD:0293564,-6.27,N1(c2ccccc2)C(=O)C(CC1=O)S\C(=N\c(cc3)ccc3Cl)\NC(c4ccccc4)c5ccccc5,0.0
74206,CO-ADD:0293414,-6.28,n1(c(cccc2C)c2n3)c3S\C(=C/c(cc4OCC)cc(c4OCC(O)=O)Br)\C1=O,0.0
74207,CO-ADD:0292403,-6.28,n12c(S\C(=C\c(ccc3c4ccc(cc4F)F)o3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
74208,CO-ADD:0293065,-6.28,[N+](=O)([O-])c(cc1)cc(c1C(=O)Oc(cc2)c(OC)cc2C(OC)=O)Cl,0.0
74209,CO-ADD:0294957,-6.28,c1(scc(c2ccc(cc2)Br)n1)N3CCc(c4C3)cccc4,0.0
74210,CO-ADD:0293961,-6.28,C(C(F)(F)F)(C(F)(F)F)(NC(OC)=O)Nc1sc(c2c1C(N)=O)CCCC2,0.0
74211,CO-ADD:0299437,-6.28,N1=C(c(cc2)ccc2C(O)=O)c3c(cccc3)C(=O)N1,0.0
74212,CO-ADD:0287831,-6.28,C1(C#N)(C#N)[C@H](c(cc2)ccn2)[C@@]([H])(C3)C(C(C#N)=C1N)=CCN3C(C)C,0.0
74213,CO-ADD:0292171,-6.28,C(C(OCC)=O)(C(OCC)=O)C(c1ccccc1)CC(=O)C2CC2,0.0
74214,CO-ADD:0292159,-6.28,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)c(cc4OC)cc(c4OC)OC)cc(cc3)C,0.0
74215,CO-ADD:0292175,-6.28,S(=O)(=O)(c1ccc(cc1)NC(COc2cc(C)ccc2C(C)C)=O)Nc3onc(C)c3C,0.0
74216,CO-ADD:0287649,-6.28,N1(C(=O)\C(\SC1=N)=C\c(cc2)ccc2OC)c3nonc3N,0.0
74217,CO-ADD:0287385,-6.28,c1(SCC(=O)N\N=C(/C)\c2ccccc2OC)sc(c3n1)cccc3,0.0
74218,CO-ADD:0287348,-6.28,C(=N\c(ccc(c1C(O)=O)Cl)c1)(/S\C(\C2=O)=C\c(ccc(c3Br)OCc4cccc(cccc5)c45)c3)\N2,0.0
74219,CO-ADD:0290647,-6.28,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)F)Nc2sc(c3c2C#N)CCCC3,0.0
74220,CO-ADD:0288654,-6.29,C(OC(C)(C)C)(=O)N(CCC(C1)CCn2c(COC)ncc2C)C1,0.0
74221,CO-ADD:0289042,-6.29,n(c1CCN(C(=O)OC(C)(C)C)C)oc(n1)c2ccc(C(=O)O)cc2,0.0
74222,CO-ADD:0290611,-6.29,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CBr,0.0
74223,CO-ADD:0287494,-6.29,S(=O)(=O)(c1ccc(cc1)NC(CSc2ccccc2)=O)Nc3cc(OC)ncn3,0.0
74224,CO-ADD:0290456,-6.29,c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])(c1CCO)[N+](=O)[O-],0.0
74225,CO-ADD:0294053,-6.29,c1(c2c3ccccc3)c([nH]n2)OC(=C(C#N)C14c5c(c(cccc6)c46)cccc5)N,0.0
74226,CO-ADD:0293781,-6.29,N1(C)C(=O)c2c(N=C1SCC(N)=O)cccc2,0.0
74227,CO-ADD:0295641,-6.29,C(/C(C)=NN1c2ccccc2)(=C\c(cc(n3c(cc4)ccc4N(C)C)C)c3C)\C1=O,0.0
74228,CO-ADD:0296046,-6.29,c12c(C(N(C)C(=O)N1C)=O)n(c(Br)n2)CC(=O)c3ccc(cc3)C,0.0
74229,CO-ADD:0295848,-6.29,c1(N(c2ccccc2)c3ccccc3)nc(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(N(CC4)CCO4)n1,0.0
74230,CO-ADD:0295821,-6.29,N1(c(ccc(c2C(F)(F)F)Cl)c2)C(=O)C(CC1=O)Nc(cc3)ccc3OC,0.0
74231,CO-ADD:0294924,-6.29,C1(N(CC2)CCO2)=NC(NC(OC)=N1)=O,0.0
74232,CO-ADD:0293354,-6.29,c1(NC(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
74233,CO-ADD:0293278,-6.29,C12(C#N)C(CCCC3)C3(OC1=N)OC(C)C2(C#N)C#N,0.0
74234,CO-ADD:0295807,-6.29,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)NCC4CCCCC4,0.0
74235,CO-ADD:0295384,-6.29,N1(\N=C\c(cc2)ccc2OC)C(=S)NN=C1c3ccccc3,0.0
74236,CO-ADD:0296016,-6.3,C(C(c1ccccc1)=O)(C2c3ccc(c4c3)OCO4)=C(O)C(N2CCN(C)C)=O,0.0
74237,CO-ADD:0292917,-6.3,C(=C/c(ccc(c12)OCO1)c2)(/C(=O)NN3c4ccc(c(Cl)c4)Cl)\C3=O,0.0
74238,CO-ADD:0291552,-6.3,C12(Cl)C(Cl)(Cl)C(C(C(O)=O)C1C(=O)Nc(cc3)ccc3OCC)(C(Cl)=C2Cl)Cl,0.0
74239,CO-ADD:0291896,-6.3,n1(c2ccc(cc2)C=O)nncc1c3ccccc3,0.0
74240,CO-ADD:0292104,-6.3,n(c1c(n2)cccc1)(c3N)c2c(c(c(cc4)ccc4C(OC)=O)c3C#N)C#N,0.0
74241,CO-ADD:0291472,-6.3,c12c(ccc(c1)NC(CC)=O)OCCO2,0.0
74242,CO-ADD:0291474,-6.3,C(/c1c(N2CC)cccc1)(\C2=O)=C(\SC(N3Cc4ccccc4)=O)/C3=O,0.0
74243,CO-ADD:0291547,-6.3,c(cc(C(O)=O)cc1[N+](=O)[O-])([N+](=O)[O-])c1NCc(cccn2)c2,0.0
74244,CO-ADD:0287605,-6.3,C(C#N)(C(c(ccs1)c1)C2=C(N3c4ccc(cc4OC)OC)CC(C)(C)CC2=O)=C3N,0.0
74245,CO-ADD:0299713,-6.3,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(cc3)F)=C(O)C(N2CCCCCC(O)=O)=O,0.0
74246,CO-ADD:0290571,-6.3,c1(cc(Cl)ccc1O)C2SCc(c3CS2)cc(c(C)c3)C,0.0
74247,CO-ADD:0299923,-6.3,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3OCC)C2c4cccs4,0.0
74248,CO-ADD:0286828,-6.31,C(C#N)(C(c(cccn1)c1)C2=C(N3c4ccc(c(Cl)c4)Cl)CCCC2=O)=C3N,0.0
74249,CO-ADD:0290788,-6.31,C(C(OCC)=O)(NNc1ccccc1)(C(F)(F)F)NC(=O)N(C)C,0.0
74250,CO-ADD:0294801,-6.31,n(c1c(n2C)ccc(c1)NCc3n(C)c4c(cccc4)n3)c2C,0.0
74251,CO-ADD:0294291,-6.31,c1(c(C)nc2n1cccn2)c3csc(Nc4ccccn4)n3.Br,0.0
74252,CO-ADD:0294399,-6.31,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)NC(C)CC)c1Cl,0.0
74253,CO-ADD:0294075,-6.31,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)F)=C(O)C(N2c4ccccn4)=O,0.0
74254,CO-ADD:0294292,-6.31,c12c(c(c(C)s1)C)c(nc(SCC(=O)c3ccc(cc3C)C)n2)O,0.0
74255,CO-ADD:0295203,-6.31,C12(C=Cc(c(ccc3[N+](=O)[O-])O1)c3)C(C)(C)c(c4N2CC(N)=O)cccc4,0.0
74256,CO-ADD:0292976,-6.31,c1(ccn(CC(=O)Nc(cc2)ccc2I)n1)[N+](=O)[O-],0.0
74257,CO-ADD:0293361,-6.31,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5cccc(Cl)c5Cl)cccc4,0.0
74258,CO-ADD:0292723,-6.31,N1(c(cccc2C(F)(F)F)c2)C(CSc3[nH]c(c4n3)ccc(N)c4)=Nc(c5C1=O)cccc5,0.0
74259,CO-ADD:0292293,-6.31,c12c(n(c(SCc3ccccn3)n1)C)C(N(C)C(=O)N2C)=O,0.0
74260,CO-ADD:0294642,-6.31,c1(cc(Cl)ccc1N2CCCCC2)[N+](=O)[O-],0.0
74261,CO-ADD:0294336,-6.31,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cccn5)c5)cccc4,0.0
74262,CO-ADD:0295049,-6.31,c1(C(=O)N(C)C(N2C)=O)c2nc(oc(c3ccc(cc3)F)c4)n14,0.0
74263,CO-ADD:0295564,-6.31,c1(C(=O)NCc2ccccc2)nonc1N,0.0
74264,CO-ADD:0293223,-6.31,c12c(cc(cc1C(c3ccccc3)=O)Cl)C4C(C(C(CCC=C5)C5)N2)CC=C4,0.0
74265,CO-ADD:0292318,-6.31,S1(=O)(=O)c(cccc2)c2C(N(N)CCc3ccccn3)=N1,0.0
74266,CO-ADD:0296021,-6.31,C(=O)(c1ccco1)N(c2ccc(cc2)C)NC(=O)C(CCCCC)(CCCCC)O,0.0
74267,CO-ADD:0295260,-6.31,c1(NC(=O)c2cc(ccc2N3CCCCCC3)[N+](=O)[O-])sc(c4c1C(OCC)=O)CCCC4,0.0
74268,CO-ADD:0291851,-6.32,n(c1c2cccc1)c(c3ccc(cc3)OC(CCCCC)=O)cn2,0.0
74269,CO-ADD:0291515,-6.32,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)NC(=O)c(ccc4c5cc(Cl)ccc5Cl)o4,0.0
74270,CO-ADD:0291460,-6.32,c1(NC(=O)c(cc2)ccc2C(C)(C)C)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
74271,CO-ADD:0292188,-6.32,C(=C/c(cc(n1c2ccc(cc2)F)C)c1C)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
74272,CO-ADD:0291660,-6.32,c1(NC(N)=O)sc(c(C)c1C(OCC)=O)C,0.0
74273,CO-ADD:0299391,-6.32,N1(c2cc(C)ccc2C)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
74274,CO-ADD:0287267,-6.32,c(c(C)c1)(cc(c1N2CCCCC2)F)C(c3ccccc3)=O,0.0
74275,CO-ADD:0291110,-6.32,C1(\C(=N\c2ccc(cc2OC)OC)\SS3)=C3C(Nc(ccc(OC)c4)c14)(C)C,0.0
74276,CO-ADD:0287913,-6.32,c1(N(c2ccccc2)c3ccccc3)nc(Nc4cccc(N)c4)nc(N5CCCCC5)n1,0.0
74277,CO-ADD:0289028,-6.32,c1(C(=O)Nc(cc2)ccc2OC)sc(nn1)CCCC(O)=O,0.0
74278,CO-ADD:0286535,-6.32,N1(CC(O)=O)C(=O)\C(\SC1=S)=C\C=C(\C(C)(C)c(c23)cccc2)/N3C,0.0
74279,CO-ADD:0295312,-6.32,N1(c2ccc(cc2)C)C(=O)\C(=C\Nc(cc3)ccc3OC)\C(NC1=O)=O,0.0
74280,CO-ADD:0294800,-6.32,c1(C(O)c2ccc(c(OC)c2)OCc3ccccc3)nccn1C,0.0
74281,CO-ADD:0294321,-6.33,C(C(OC)=O)(C1c2cccs2)=C(C)N(C(C)=C1C(OC)=O)C,0.0
74282,CO-ADD:0294816,-6.33,C1(C(F)(F)F)(C(F)(F)F)C=C(C)N(C(N)=C1C#N)c2ccc(c(Cl)c2)F,0.0
74283,CO-ADD:0294983,-6.33,n1c2c(CCCCC2)cc(C#N)c1SCC(=O)N(CC3)CCO3,0.0
74284,CO-ADD:0294310,-6.33,C(=N\Nc1ccccc1)(/C(c2ccc(cc2)Cl)=NNC3=O)\C3=O,0.0
74285,CO-ADD:0294958,-6.33,S1(=O)(=O)c(cccc2)c2C(Nc(c(C)c3)cc(c3OC(=O)C(CC(N4c5ccc(c6c5)cccc6)=O)C4)C(C)C)=N1,0.0
74286,CO-ADD:0293099,-6.33,C(c1ccccc1)(=C(C)N(c2ccc(cc2)OC)C(=N3)\C=C\c(cc4)ccc4O)C3=O,0.0
74287,CO-ADD:0294437,-6.33,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4ccc(c(OC)c4)O,0.0
74288,CO-ADD:0295278,-6.33,c1(cc(ccc1N(CC2)CCN2C(=O)c3ccc(cc3)Cl)C(F)(F)F)[N+](=O)[O-],0.0
74289,CO-ADD:0295320,-6.33,N1(CC)C(=O)\C(=C/C=C\c2ccccc2[N+](=O)[O-])\C(NC1=S)=O,0.0
74290,CO-ADD:0292637,-6.33,C1([N+](=O)[O-])=C(N(CC)CC)c2c(N(C)C1=O)cccc2,0.0
74291,CO-ADD:0293849,-6.33,[N+](=O)([O-])Nc1c(Br)cc(cn1)Br,0.0
74292,CO-ADD:0293277,-6.33,c1(NC(=O)c2ccccc2F)n(c3ccccc3)ncc1C(=O)Nc(cc4)ccc4OCC,0.0
74293,CO-ADD:0293256,-6.33,S1(=O)(=O)c(cccc2)c2C(N(CCOC(=O)c3ccc(cc3)C)Cc4ccccc4)=N1,0.0
74294,CO-ADD:0294886,-6.33,[N+](=O)([O-])c1cccc(c1)N=Nc(cc2)ccc2N(C)C,0.0
74295,CO-ADD:0294878,-6.33,C1(C(C)=O)=C(C)NC(=S)NC1c2ccccc2,0.0
74296,CO-ADD:0295904,-6.33,c1(OC(N)=C(C2c3ccc(c(Br)c3)OCC)C#N)c2c(n[nH]1)C,0.0
74297,CO-ADD:0289180,-6.33,c(C(=O)Nc1ccccc1)(nnc2C(O)=O)s2,0.0
74298,CO-ADD:0291630,-6.33,c1(ncnc2NCCCCCC(O)=O)c2c3c(CCCC3)s1,0.0
74299,CO-ADD:0291694,-6.33,c(C1CCC2)(c23)n(CCN1C(=S)Nc4ccccc4)c(c35)ccc(C6CCCCC6)c5,0.0
74300,CO-ADD:0299913,-6.33,N1(c2ccccc2)N=C(C(N)C1=O)C.Cl,0.0
74301,CO-ADD:0288029,-6.33,n(c1c(n2)cccc1)(C(=O)\C(\S3)=N\O)c23,0.0
74302,CO-ADD:0286957,-6.34,n1c(c(cc2)ccc2C(O)=O)[nH]c(c3ccccc3)c1c4ccc(cc4)Sc5ccccc5,0.0
74303,CO-ADD:0286750,-6.34,N1(C(c2ccccc2)=O)N=C(CC1(O)C(F)(F)F)CCC,0.0
74304,CO-ADD:0299933,-6.34,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3ccccc3C)C2c4cccs4,0.0
74305,CO-ADD:0285792,-6.34,C1(C(CC(NC1(C)C)(C)C)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F,0.0
74306,CO-ADD:0290797,-6.34,c1(NC(CSc2ncccn2)=O)sc(c3c1C(OCC)=O)CCC3,0.0
74307,CO-ADD:0290821,-6.34,C1(C#N)(C#N)[C@H](c2ccc(c(OC)c2)OC)C(C3)C(C(C#N)=C1N)=CCN3C(OCC)=O,0.0
74308,CO-ADD:0296007,-6.34,C(=CC(\C=C\c(cc1)ccc1N2CCCC2)=NC3=O)(C(F)(F)F)N3,0.0
74309,CO-ADD:0292315,-6.34,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c4cc(Br)ccc4O)\C1=O,0.0
74310,CO-ADD:0292205,-6.34,N(C(C)(C)Cc(c12)cc(c(OC)c1)OC)=C2CC#N,0.0
74311,CO-ADD:0293400,-6.34,c(Sc1nnc(C)s1)(n2)nc(nc2Nc(cc3)ccc3OC)Nc(cc4)ccc4OC,0.0
74312,CO-ADD:0295811,-6.34,c1(NC(C2CCCC2)=O)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
74313,CO-ADD:0293784,-6.34,N1(CC(=O)Nc2cccc(O)c2)C(=O)c3c(C(C)=N1)cccc3,0.0
74314,CO-ADD:0294535,-6.35,C1(CCNC(CCCC2)C12)OC(C)=O,0.0
74315,CO-ADD:0295853,-6.35,c(OC(C(F)(F)F)C(F)(F)F)(nc(Nc1ccccc1)nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
74316,CO-ADD:0294861,-6.35,C(=C/c(ccc(c1OC)OC)c1OC)(/C(=O)NC(N2C)=O)\C2=O,0.0
74317,CO-ADD:0293942,-6.35,N1(CC(=O)N(C)C)C(=O)c2c(C(C)=N1)cccc2,0.0
74318,CO-ADD:0293923,-6.35,c1(nonc1N)\C(\N)=N\OCc(cc2)ccc2F,0.0
74319,CO-ADD:0292650,-6.35,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc(cc4)ccc4C)n2,0.0
74320,CO-ADD:0287808,-6.35,c(c(COC)[nH]n1)(C2c(cc3OC)cc(c3OC)OC)c1OC(N)=C2C#N,0.0
74321,CO-ADD:0291452,-6.35,C(/c1c(N2CCCCCC)cccc1)(\C2=O)=C(\SC(N3NC(c4ccccc4)=O)=S)/C3=O,0.0
74322,CO-ADD:0291830,-6.35,C(/c1c(N2CCCC)cccc1)(\C2=O)=C(\SC(N3NC(=O)c4ccccc4C)=S)/C3=O,0.0
74323,CO-ADD:0292103,-6.35,N1(C(=O)c2c(c(c3)C1=O)c(ccc2)cc3[N+](=O)[O-])c4c(C)n(nc4C)C,0.0
74324,CO-ADD:0291537,-6.35,C(/c(cc(OCC)cc1)c12)(\C(=S)C(N2C(CCCC)=O)(C)C)=C(/S3)\SC(=C3C(OC)=O)C(OC)=O,0.0
74325,CO-ADD:0291865,-6.35,N1(c2ccccc2OC)C(=O)NC(\C(=C\c(c(cccc3)c3n4C)c4)\C1=O)=O,0.0
74326,CO-ADD:0287246,-6.35,C1(C)(CC1)C(=O)Nc(cc2)ccc2F,0.0
74327,CO-ADD:0286274,-6.35,N1(C2c3cccs3)C(S\C(=C\c(cc4I)cc(c4O)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
74328,CO-ADD:0291317,-6.35,C1(NC(=S)NNC(c(cc2)ccn2)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
74329,CO-ADD:0286494,-6.35,C(=N\N=C(/C)\c1ccc(Br)s1)(/SC(C(O)=O)CC2=O)\N2,0.0
74330,CO-ADD:0292879,-6.35,c1(c(ccc(c1)C(F)(F)F)Oc(ccc(c2O3)C4=C(C3=O)CCC4)c2)[N+](=O)[O-],0.0
74331,CO-ADD:0293943,-6.35,N1(c2ccc(cc2)Br)C(c3ccc(c(OC)c3)OC)CC(c4ccc(cc4)Cl)=N1,0.0
74332,CO-ADD:0293937,-6.35,C1(c2ccccc2C)=N\C(\C(=O)O1)=C\c(cc3)ccc3C(F)(F)F,0.0
74333,CO-ADD:0295387,-6.35,[n+]([O-])(c1c2ccc(Br)c1)c(C#N)c([n+]2[O-])N,0.0
74334,CO-ADD:0295343,-6.35,c1(cc(Br)ccc1OCc2ccccc2Cl)C(OCC)=O,0.0
74335,CO-ADD:0292646,-6.35,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc4c(cccc4Cl)Cl)n2,0.0
74336,CO-ADD:0292532,-6.35,N1(CC=C)c2c(cccc2)NCCC1=O.Cl,0.0
74337,CO-ADD:0295667,-6.35,C1(C(C)=O)=C(Nc(cc2)ccc2OC)CC(C)(O)C(C(C)=O)C1c3ccc(cc3)OC,0.0
74338,CO-ADD:0296111,-6.35,c1(nonc1N)\C(\NCCNc(cc2)c(Cl)cc2[N+](=O)[O-])=N\O,0.0
74339,CO-ADD:0294671,-6.35,c12c(N=CNC1=O)c3c(cccc3)o2,0.0
74340,CO-ADD:0295955,-6.35,s1c(N)nnc1SCC(=O)Nc(ccc(c2Cl)Cl)c2,0.0
74341,CO-ADD:0319045,-6.35,c(cc1C)(c(F)cc1C(C)=O)N(CC2)CCN2C(CCC)=O,0.0
74342,CO-ADD:0319494,-6.35,C(NCCOc1cccc(cccc2)c12)(=O)c3ccc(cc3)CSC4CCCCC4,0.0
74343,CO-ADD:0318729,-6.36,C(=N\c(cc1)ccc1OC(F)(Cl)F)(/SC(C(=O)Nc(cc2)ccc2C(O)=O)CC3=O)\N3CCc4ccccc4,0.0
74344,CO-ADD:0304524,-6.36,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(N)=O)C2c3ccco3,0.0
74345,CO-ADD:0304460,-6.36,c1(cn(nc1C(=O)NCc2ccccc2)C)[N+](=O)[O-],0.0
74346,CO-ADD:0300682,-6.36,c(c1C(C)C)(C2c3cccc(c3)OC(=O)N(CC4)CCO4)c([nH]n1)OC(N)=C2C#N,0.0
74347,CO-ADD:0300714,-6.36,c12c(c3c(cccc3)[nH]1)nnc(SCc4cccc(C)c4)n2,0.0
74348,CO-ADD:0301084,-6.36,C1(O)(C(F)(F)F)NC(SCC(=O)Nc2cccc(C)c2C)=C(C(c3ccccc3Cl)C1C(=O)c4cccs4)C#N,0.0
74349,CO-ADD:0301109,-6.36,N1(c2ccccc2)C(c3cccc(OC)c3OCc4ccccc4Cl)N(N=C1C(C)=O)c5ccccc5,0.0
74350,CO-ADD:0301071,-6.36,C(C)(C1C)([N+](=O)[O-])C(N)=C(C1(C#N)C#N)C#N,0.0
74351,CO-ADD:0301103,-6.36,C1(C(OCC)=O)=NN(C(c2c3c([nH]c2)cccc3)N1c(cc4)ccc4N(CC5)CCO5)c6ccccc6,0.0
74352,CO-ADD:0301339,-6.36,n1(N)c(C)nnc1N\N=C/c(cccc2OCc(ccc(c3Cl)Cl)c3)c2.Cl.Cl,0.0
74353,CO-ADD:0303463,-6.36,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc(OC)c(c5)O)c5Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
74354,CO-ADD:0303827,-6.36,[N+](=O)([O-])c1ccc(c2c1cccn2)N(CC3)CCN3C(=O)c4cccc(F)c4,0.0
74355,CO-ADD:0303796,-6.36,N1(C(c2ccccc2)CC(C)=N1)C(C#N)c3ccc(c(OC)c3)OC,0.0
74356,CO-ADD:0302371,-6.36,c1(C(c2ccccc2)=O)oc(c3c1N)ccc(c3)[N+](=O)[O-],0.0
74357,CO-ADD:0301610,-6.36,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c3cccc(O)c3)\C1=O)=O,0.0
74358,CO-ADD:0301448,-6.36,c(C(=O)N1CCCCC1)(s2)c(C)c(c2NC(COc3ccccc3C)=O)C(OCC)=O,0.0
74359,CO-ADD:0302117,-6.36,c1(C(O)=O)cc(ccc1NC(Cc(cc2)ccc2OC)=O)c(ccc(c3C(O)=O)NC(Cc(cc4)ccc4OC)=O)c3,0.0
74360,CO-ADD:0302138,-6.36,N1(CC2CCCO2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4OCC(O)=O,0.0
74361,CO-ADD:0302144,-6.36,C(c(cccc1NC(COc2ccccc2OC)=O)c1)#C,0.0
74362,CO-ADD:0304001,-6.36,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c3ccc(cc3[N+](=O)[O-])Cl,0.0
74363,CO-ADD:0301380,-6.37,C(C(F)(F)F)(C(F)(F)F)(Nc1sc(c2n1)CCCC2)NC(c3ccccc3)=O,0.0
74364,CO-ADD:0306765,-6.37,C(C(OCCSCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c(F)c3)F,0.0
74365,CO-ADD:0306757,-6.37,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CCCC1=O)C2c3cccc(c3)OCc4ccccc4,0.0
74366,CO-ADD:0306719,-6.37,C(C(c1ccccc1)=O)C(c2ccc(cc2)OC)Nc(cc3)ccc3F.Cl,0.0
74367,CO-ADD:0306265,-6.37,c(C(=O)N(CC)CC)(s1)c(C)c(c1NC(COc2ccc(cc2Cl)Cl)=O)C(OCC)=O,0.0
74368,CO-ADD:0307372,-6.37,n12c(cccc1)cc(c3ccccc3)c2C=O,0.0
74369,CO-ADD:0307096,-6.37,C(=O)(N(CC1)CCN1c(cc2)c(F)cc2C(=O)c3ccc(c(Br)c3)OC)c4ccccc4F,0.0
74370,CO-ADD:0306995,-6.37,c1(NC(C)=O)nc(c2ccccc2)cc(c3ccco3)c1C#N,0.0
74371,CO-ADD:0310895,-6.37,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3,0.0
74372,CO-ADD:0311748,-6.37,c1(c2c(cc3)ccn3)c([nH]n2)OC(N)=C(C#N)C1c4c[nH]nc4c5ccc(cc5)F,0.0
74373,CO-ADD:0312398,-6.37,C1(NC(CCC1[N+](=O)[O-])=O)c2cc(Br)ccc2F,0.0
74374,CO-ADD:0312426,-6.38,C1(c(cccc2)c2N3C(C)=O)(C(C#N)=C(N)Oc([nH]nc4c5cccs5)c14)C3=O,0.0
74375,CO-ADD:0324438,-6.38,n1c(c2ccc(cc2)OC)nnn1CC(NCCc(ccc(c3OCC)OCC)c3)=O,0.0
74376,CO-ADD:0320126,-6.38,n1(CC(=O)N(CC)C2(CCCCC2)C(=O)Nc(cc3)ccc3C)nnnc1N,0.0
74377,CO-ADD:0320607,-6.38,N(CN1CCCCC1)(N=C(N2c3ccccc3)c4ccccc4)C2=S,0.0
74378,CO-ADD:0320249,-6.38,N(c(cccc1)c1C(O2)(CC)CC)C2C3CCCCC3,0.0
74379,CO-ADD:0320272,-6.38,c1(C#N)c(C)c(Cl)c(nc1SCc(ccc2[N+](=O)[O-])o2)C,0.0
74380,CO-ADD:0320799,-6.38,C1(SCC(=O)N1c2ccc(cc2)OCC)(c3c(N4CN(CC5)CCN5c6ccc(cc6)F)cccc3)C4=O,0.0
74381,CO-ADD:0323762,-6.38,C1(c2ccccc2)(CC1)NC(=O)Nc(cccc3C(=O)Nc4cccc(Cl)c4)c3,0.0
74382,CO-ADD:0323603,-6.38,N1(CC2c3c(cccc3)CCN2C(=O)C45CC(CC6C4)CC(C6)C5)C(=O)c7c(cccc7)C1=O,0.0
74383,CO-ADD:0323627,-6.38,C1(NCC(O)=O)=NC2(Cc3c1cccc3)CCCCC2,0.0
74384,CO-ADD:0323138,-6.38,c1(NNC(=O)Nc2ccccc2)nc(C)cc(C)c1C#N,0.0
74385,CO-ADD:0323297,-6.38,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3OC)C2c(cc4OC)cc(c4OC)OC,0.0
74386,CO-ADD:0323522,-6.38,C1(NC(=O)c2ccc(cc2)OCc3c(cccc3F)Cl)=C(C)N(N(c4ccccc4)C1=O)C,0.0
74387,CO-ADD:0323562,-6.38,S(c1ccccc1)(=O)(=O)N2CCCC2C(NCCOc(cc3)ccc3C4CCCCC4)=O,0.0
74388,CO-ADD:0324637,-6.38,C1(CC(OC12CCCCC2)=O)C(=O)N([H])Cc3ccco3,0.0
74389,CO-ADD:0320873,-6.38,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCc(ccc(c4OC)OC)c4)c5ccc(cc5)OC,0.0
74390,CO-ADD:0324401,-6.38,c1(c(C)ccc(nsn2)c12)S(=O)(=O)NCc(cc3)ccn3,0.0
74391,CO-ADD:0323900,-6.38,c1(C2OCCO2)c3c(n(c4ccccc4)n1)cc(cc3SCc(cc5)ccc5Cl)[N+](=O)[O-],0.0
74392,CO-ADD:0323677,-6.38,c1(C2=O)c(NC(c3ccc(cc3)NC(C)=O)N2Cc4ccccc4)c(c5s1)c(COC)cc(C)n5,0.0
74393,CO-ADD:0319073,-6.39,c1(C2c3ccc(cc3)OC(=O)N(CC4)CCO4)c([nH]nc1c5ccc(cc5)F)OC(N)=C2C#N,0.0
74394,CO-ADD:0300955,-6.39,C(=O)(Nc(cc1C)cc(c1OCC(=O)N(CC2)CCO2)C)c3cccc(cccc4)c34,0.0
74395,CO-ADD:0301147,-6.39,N1(C(=O)c2cccc(C)c2)N=C(CC1(O)C(F)(F)F)C3CCCCC3,0.0
74396,CO-ADD:0300684,-6.39,C12(c3c(NC1=O)ccc(F)c3)C(C#N)=C(N)Oc([nH]n4)c2c4C(C)C,0.0
74397,CO-ADD:0301204,-6.39,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)NC(C)C,0.0
74398,CO-ADD:0300957,-6.39,S(c1ccccc1)(=O)(=O)N2CCCC2C(=O)NCc(cc3)ccc3C(C)C,0.0
74399,CO-ADD:0300726,-6.39,[N+](=O)([O-])c1ccc(cc1Sc2cccc(cccn3)c23)N(CC4)CCN4C(=O)c5ccc(cc5)Cl,0.0
74400,CO-ADD:0300816,-6.39,[C@@](C)(CCC1C2CCc(cc(O)cc3)c13)(\C(\CC4)=N\N)C24,0.0
74401,CO-ADD:0300609,-6.39,C(C(OCCSCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c(ccs3)c3,0.0
74402,CO-ADD:0303261,-6.39,c1(ccc(cc1N(CC2)CCN2C)N(CC3)CCN3C)[N+](=O)[O-],0.0
74403,CO-ADD:0301488,-6.39,c1(N(CC2)CCO2)nc(NCCO)nc(Nc(cc3)ccc3OCC)n1,0.0
74404,CO-ADD:0303204,-6.39,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)CC1c3ccc(cc3Cl)Cl,0.0
74405,CO-ADD:0303168,-6.39,n(\N=C\c(ccc1Br)o1)(cnn2)c2,0.0
74406,CO-ADD:0301316,-6.39,C(=O)(Nc(cc1)ccc1OCC=C)C(OCC)=O,0.0
74407,CO-ADD:0304364,-6.39,[n+]1([O-])onc(cc(Cl)c(Cl)c2)c12,0.0
74408,CO-ADD:0301472,-6.39,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c(cccc3C(F)(F)F)c3,0.0
74409,CO-ADD:0302641,-6.39,C(Sc(cc1)ccc1NC)#N.Cl,0.0
74410,CO-ADD:0303214,-6.39,C(C(OC)=O)(C1c2cccc(Oc3ccccc3)c2)=C(C)N(C(C)=C1C(OC)=O)C,0.0
74411,CO-ADD:0303483,-6.39,C(=O)(Nc1c(C)cccc1C)C2(CCCCC2)N(Cc3ccccc3)C(CO)=O,0.0
74412,CO-ADD:0301942,-6.39,N1(c2cccc(c2)[N+](=O)[O-])CC(CC1=O)C(=O)Nc(cc(C)cc3C)c3,0.0
74413,CO-ADD:0301401,-6.4,C(C)(C)(C(=O)OC(C12CCCCC1)c3ccc(cc3)F)C2=O,0.0
74414,CO-ADD:0307645,-6.4,S(=O)(=O)(N(CC)CC)c(cc1)ccc1C(=O)Nc(ccc(c2O3)OC3(C)C)c2,0.0
74415,CO-ADD:0306880,-6.4,c1(noc(COc(cc2)cc(c2[N+](=O)[O-])C)n1)c3nonc3N,0.0
74416,CO-ADD:0311690,-6.4,C(=C/c1c[nH]nc1c2ccccc2)(/C(=O)NN3c4ccccc4)\C3=O,0.0
74417,CO-ADD:0311306,-6.4,C(=C\c1ccccc1OCC)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
74418,CO-ADD:0312201,-6.4,N1(Cc(ccc(c23)OCO2)c3)\C(=N/c4ccccc4)\SC(C(N)=O)CC1=O,0.0
74419,CO-ADD:0307010,-6.4,N1(C(=O)C=CC1=O)c2ccccc2N3C(=O)C=CC3=O,0.0
74420,CO-ADD:0310874,-6.4,C(=O)(NC1CC1)c(c2)cc(cn2)Br,0.0
74421,CO-ADD:0312316,-6.4,C(C(=O)c1cccs1)(C2c3ccc(cc3)OC)=C(O)C(N2CCc4ccccc4)=O,0.0
74422,CO-ADD:0307477,-6.4,C(C(OCCOc1ccccc1)=O)(C2c(cc3)ccc3C(OC)=O)=C(C)NC(CCCC4=O)=C24,0.0
74423,CO-ADD:0305981,-6.4,c12c(c3c(OC1=O)cccc3)c4c(CCC(C(C)(C)C)C4)nc2NC(CC)=O,0.0
74424,CO-ADD:0306291,-6.4,c1(cn(n2)c3ccc(cc3)C)c2cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
74425,CO-ADD:0311964,-6.4,n1(Cc2ccccc2)nnnc1SCc(nc(N)nc3N(CC4)CCO4)n3,0.0
74426,CO-ADD:0320776,-6.4,N1(C(=O)CSC12CCC(CC2)CC)c3ccc(c(Cl)c3)F,0.0
74427,CO-ADD:0320840,-6.4,N1=C(C=CC(=O)N1)C(O)=O,0.0
74428,CO-ADD:0323500,-6.4,[s+]1c(SCCC(O)=O)c(sc1N2CCCCC2)C.[Br-],0.0
74429,CO-ADD:0324010,-6.4,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2c(C)cc(c(OC)c2)C,0.0
74430,CO-ADD:0323629,-6.41,c1(c(C)[nH]n2)c2CC(C)(O)C(C(C)=O)C1c3ccc(cc3)CC,0.0
74431,CO-ADD:0323643,-6.41,N(CCc(c1c([nH]2)cccc1)c2C)(C(=O)c3ccc(cc3)NC(C)=O)C4(CCCCC4)C(=O)Nc5c(C)cccc5C,0.0
74432,CO-ADD:0320655,-6.41,n1(CC(=O)N(c2ccccc2)C3(CCCCC3)C(=O)Nc(cc4)ccc4OC)nnnc1N,0.0
74433,CO-ADD:0320772,-6.41,c1(c(C)nn2c3ccc(cc3)OC(F)(F)F)c2CC(C)(C)CC1=O,0.0
74434,CO-ADD:0320813,-6.41,c1(c2c(cs1)CCCC2)C(=O)Nc(cccn3)c3,0.0
74435,CO-ADD:0321389,-6.41,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)C)c5ccccc5,0.0
74436,CO-ADD:0319074,-6.41,C12(c3c(N(CC)C1=O)cccc3)C(C#N)=C(N)OC(NC(=O)NC4=O)=C24,0.0
74437,CO-ADD:0319090,-6.41,C(NCCOc1cccc(OC)c1)(=O)c2ccc(cc2)OCCCC,0.0
74438,CO-ADD:0319098,-6.41,c12c(ccc(CNC(COc(cc3)ccc3C4CCCCC4)=O)c1)OCO2,0.0
74439,CO-ADD:0300845,-6.41,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)OCc2ccccc2OC,0.0
74440,CO-ADD:0300982,-6.41,N1(CN(CC2)CCN2C(c3ccccc3)c4ccccc4)c(ccc(c5)OCC)c5SC1=S,0.0
74441,CO-ADD:0301086,-6.41,C1(O)(C(F)(F)F)NC(SCC(=O)Nc(cc2)ccc2CC)=C(C(c3ccccc3Cl)C1C(=O)c4cccs4)C#N,0.0
74442,CO-ADD:0300295,-6.42,N(C)(C(=O)C(Cc1cccc(cccc2)c12)C(N3C)=O)C3=O,0.0
74443,CO-ADD:0301040,-6.42,[n+]([O-])(c(ccc(c1)Cl)c12)c(C(c3ccccc3)=O)c([n+]2[O-])c4ccccc4,0.0
74444,CO-ADD:0305247,-6.42,n1c(c2)c(sc1S)ccc2C(=O)N3CCCC3,0.0
74445,CO-ADD:0303604,-6.42,c(cc(CCCC1)c1n2)(c(N)c(s3)c(cc4)ccc4[N+](=O)[O-])c23,0.0
74446,CO-ADD:0302097,-6.42,N1(CCCO)C(=O)c2c(cc(cc2)Oc(ccc(c3C4=O)C(N4CCCO)=O)c3)C1=O,0.0
74447,CO-ADD:0302657,-6.42,c1(C#N)c(cc(cc1SCc2ccccc2)N=[N+]=[N-])N=[N+]=[N-],0.0
74448,CO-ADD:0304264,-6.42,N1(c2ccccc2)C(=O)C(CC)=C(N=C1SCC(=O)Nc(cc3)ccc3OCC)O,0.0
74449,CO-ADD:0302834,-6.42,N1(CCc2ccccc2)\C(=N\CCc3ccccc3)\SC(C(O)=O)CC1=O,0.0
74450,CO-ADD:0301642,-6.42,C(C(OCCOC(C)C)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(Br)s3,0.0
74451,CO-ADD:0303161,-6.42,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C\c(ccc(c3OC)OCCOc(cc4)ccc4C(C)(C)C)c3)\C1=O)=O,0.0
74452,CO-ADD:0304124,-6.42,C(CNc(nc1NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])nc(n1)NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.0
74453,CO-ADD:0301481,-6.42,C(=C(C)NC(=C12)CC(CC1=O)(C)C)(C(=O)Nc3ccccc3OC)C2c4ccccc4OCC,0.0
74454,CO-ADD:0303714,-6.43,n1(c2ccccc2)nnnc1SCc(cc3)ccc3C#N,0.0
74455,CO-ADD:0303177,-6.43,[N+](=O)([O-])c(cc1)ccc1C(=O)c2ccc(cc2)OC,0.0
74456,CO-ADD:0301463,-6.43,C1(c2cc(Br)ccc2OC)C(=CNC=C1C(OC)=O)C(OC)=O,0.0
74457,CO-ADD:0307420,-6.43,N(CC1N2CCc(cccc3)c13)(C2C(C)C)S(=O)(=O)c4ccc(cc4)C,0.0
74458,CO-ADD:0307214,-6.43,C1(C2c(cc3)cc(c3OC(=O)N(CC4)CCO4)OC)=C(C=C(C)OC1=O)OC(N)=C2C#N,0.0
74459,CO-ADD:0311934,-6.43,C1(c(cc2)ccc2C(OC)=O)OCC(CO1)(C)C,0.0
74460,CO-ADD:0305679,-6.43,C(=C(C)NC(=C1C#N)SCC(=O)Nc2ccc(cc2C)C)(C(=O)Nc3ccccc3OC)C1c4ccco4,0.0
74461,CO-ADD:0305913,-6.43,c1(NC(C2CCCCC2)=O)sc(c3c1C(N)=O)CCCC3,0.0
74462,CO-ADD:0306047,-6.43,C1(C2=O)C(C(NC1(C)C(O)=O)c3ccc(cc3O)O)C(N2c4ccc(cc4)Br)=O,0.0
74463,CO-ADD:0312517,-6.43,[C@]12(O[C@@]3(CC1)[C@@H](C2)CN(C3)S(=O)(=O)c4cc(N)ccc4)C,0.0
74464,CO-ADD:0312526,-6.43,c1(ccc(F)cc1)S(N2C[C@](O[C@@]3(C)C4)(C=C3)[C@@H]4C2)(=O)=O,0.0
74465,CO-ADD:0305623,-6.43,N1(c(c2)c(C)c(cc2N3C(=O)c4c(cccc4)C3=O)[N+](=O)[O-])C(=O)c(c5C1=O)cccc5,0.0
74466,CO-ADD:0310919,-6.43,c1(c(NCCNC(=O)c2cc(F)c(cc2Cl)F)ccc(c1)[N+](=O)[O-])C(F)(F)F,0.0
74467,CO-ADD:0306071,-6.44,c1(NC(CSc2cccc(cccn3)c23)=O)sc(c4n1)ccc(cccc5)c45,0.0
74468,CO-ADD:0319824,-6.44,C(/Nc1ccccc1OCCC)(\Nc2nc(C)cc(C)n2)=N\C(=O)Nc(cc3)ccc3Cl,0.0
74469,CO-ADD:0319832,-6.44,c1(OC(=O)C=C2C)c2cc(OCC=C)c(Cl)c1,0.0
74470,CO-ADD:0319833,-6.44,c(cc1Cl)(OC(=O)C=C2C)c2cc1OC(=O)c3ccc(c(OC)c3)OC,0.0
74471,CO-ADD:0320089,-6.44,c1(nc(c2n1CC(=O)Nc3cccc(OCCCCCC)c3)cccc2)c4nonc4N,0.0
74472,CO-ADD:0320681,-6.44,[nH](c(ccc(c1)OC(F)(F)F)c1c2CCNC(=O)c(cc3)ccc3C(OC)=O)c2C,0.0
74473,CO-ADD:0319682,-6.44,C1(C2c3ccc(cc3)F)=C(CC(c(cc4)ccc4C(C)(C)C)CC1=O)Nc(c5N2C(CCC(O)=O)=O)cccc5,0.0
74474,CO-ADD:0323008,-6.44,[nH]1c2c(nc1SCc3cccc(Cl)c3)cccn2,0.0
74475,CO-ADD:0323016,-6.44,N1(c2ccc(c(C)c2)C)\C(=N\c(ccc(c3C)C)c3)\S\C(=C/c(ccc4c5ccccc5F)o4)\C1=O.CC(=O)O,0.0
74476,CO-ADD:0321382,-6.44,S(=O)([O-])(c1ccc(cc1)NC(=O)CN(CC2)CCC2C(N)=O)=Nc3nccc(C)n3,0.0
74477,CO-ADD:0323002,-6.44,N1(Cc(cc2)ccc2F)C(=O)NC(\C(=C\c3cccc(OC)c3)\C1=O)=O,0.0
74478,CO-ADD:0324162,-6.44,c1(nc(c2n1CC(NCCc(ccc(c3OCC)OCC)c3)=O)cccc2)c4nonc4N,0.0
74479,CO-ADD:0323834,-6.44,c1(S[C@@H](CC2=O)[C@@H](C3)O[C@H]2O3)nc(C(C)C)cc(n1)C(F)(F)F,0.0
74480,CO-ADD:0300827,-6.44,c1(SCC(=O)N2CCCCC2)sc3c(ccc(N)c3)n1,0.0
74481,CO-ADD:0304661,-6.44,N1(c2ccc(cc2)OCC)CC(CC1=O)C(NCCCOC)=O,0.0
74482,CO-ADD:0304693,-6.44,n1c(CO)n[nH]c1N,0.0
74483,CO-ADD:0304227,-6.44,c1(SCC(=O)Nc(cc2)cc(c2N(CC3)CCO3)Cl)[nH]c(c4n1)cccc4,0.0
74484,CO-ADD:0302691,-6.44,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c(c4)c(C)n(n4)C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
74485,CO-ADD:0302544,-6.44,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccccc5[N+](=O)[O-])cccc4,0.0
74486,CO-ADD:0303300,-6.45,C(=O)(c1ccc(cc1)CSC2CCCCC2)NCc(ccc(c34)OCO3)c4,0.0
74487,CO-ADD:0303102,-6.45,c12c(n(c(SCC(=O)c(cc3)ccc3[N+](=O)[O-])n1)C)C(N(C)C(=O)N2C)=O,0.0
74488,CO-ADD:0302784,-6.45,n1c(c2ccc(cc2)OCc3ccc(cc3Cl)F)[nH]c(c4ccccc4)c1c5ccccc5,0.0
74489,CO-ADD:0302381,-6.45,C(=C(C)NC(=C1C#N)SCC(=O)Nc(ccc(c23)cccc2)c3)(C(=O)Nc4ccccc4C)C1c5cccs5,0.0
74490,CO-ADD:0302443,-6.45,C12=C(C(=C(C)NC1=O)C)C(N(N)C2=O)=O,0.0
74491,CO-ADD:0305656,-6.45,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc3cccc(OC)c3)C2c4ccccc4,0.0
74492,CO-ADD:0307143,-6.45,C(OC)(F)(C(F)(F)F)C(=O)Nc(c(OCC)c1)cc(c1NC(c2ccccc2)=O)OCC,0.0
74493,CO-ADD:0311973,-6.45,c1(cc(oc1C)CC(C)C)C(=O)Nc2ccccc2C(O)=O,0.0
74494,CO-ADD:0305577,-6.45,C1(C)(C)C(c2ccccc2)Nc(c3C1OC(C)=O)ccc(OC)c3,0.0
74495,CO-ADD:0306176,-6.45,c1(noc(c2ccc(cc2Cl)[N+](=O)[O-])n1)c3nonc3N,0.0
74496,CO-ADD:0306018,-6.45,S(=O)(=O)(N(C)C)c(cc1)ccc1C(=O)Nc(cc2)ccc2Cc(cc3)ccn3,0.0
74497,CO-ADD:0310880,-6.46,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)c4ccc(c(Cl)c4)OC,0.0
74498,CO-ADD:0310849,-6.46,c12c(CC(C)(C)CC1=O)oc(C)c2CC(O)=O,0.0
74499,CO-ADD:0305461,-6.46,C(=O)(NC(C)c1ccc(cc1)CC)c(c2)cc(cn2)Br,0.0
74500,CO-ADD:0305421,-6.46,C(=O)(NCc(cc1)ccc1Cl)C(NCCCn(ccn2)c2)=O,0.0
74501,CO-ADD:0312039,-6.46,C(Cl)(F)(F)Oc(cc1)ccc1NC(=O)CN(CC2)CCN2CCO.Cl,0.0
74502,CO-ADD:0305899,-6.46,N(C(COc1ccc(cc1Br)Cl)=O)c2cccc(C)n2,0.0
74503,CO-ADD:0319785,-6.46,c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc(c(C)c1C(OCC)=O)C,0.0
74504,CO-ADD:0320633,-6.46,C12(C)CC(C(C13)C(OC3=O)=O)(CC2=O)C,0.0
74505,CO-ADD:0320634,-6.46,N(CCCN1Cc2ccccc2)(Cc3ccccc3)C1c4cccc(C)n4,0.0
74506,CO-ADD:0320114,-6.46,S(NCCOc1ccccc1C)(=O)(=O)c(cccc2[N+](=O)[O-])c2,0.0
74507,CO-ADD:0324039,-6.46,c1(cc(F)c(cc1[N+](=O)[O-])F)C(=O)N(CC2)CCN2C,0.0
74508,CO-ADD:0321045,-6.46,C(c1ccccc1)(CC2)(CCN2CC(=O)Nc3cccc(Br)c3)C(OCC)=O,0.0
74509,CO-ADD:0321053,-6.47,c1(C(F)(F)F)c(Cl)c(SC)c(c(Cl)n1)Cl,0.0
74510,CO-ADD:0324335,-6.47,S(NC)(=O)(=O)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4OC(F)(F)F)c1,0.0
74511,CO-ADD:0324171,-6.47,N1(C(=O)\C(\SC1=N)=C\c(ccc2c3ccccc3F)o2)c4nonc4NC(C)=O,0.0
74512,CO-ADD:0323051,-6.47,P(=O)([O-])(CN(CC1)CCO1)C(Cc2ccco2)C(=O)[O-].C(=O)O,0.0
74513,CO-ADD:0323036,-6.47,[n+]([O-])(c1c2ccc(OC)c1)c(C(OCC)=O)c([n+]2[O-])O,0.0
74514,CO-ADD:0324316,-6.47,n1(N)c(C)nnc1N\N=C\c2c[nH]nc2c3ccc(cc3)F.Cl.Cl,0.0
74515,CO-ADD:0324261,-6.47,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCc(ccc(c34)OCO3)c4,0.0
74516,CO-ADD:0323838,-6.47,c1([N+](=O)[O-])nc(n(CC)c1Sc2c3c([nH]cn3)nc(N)n2)C,0.0
74517,CO-ADD:0305312,-6.47,[N+](=O)([O-])c(cc1C)cc(c1OCC(=O)N(CC2)CCO2)C,0.0
74518,CO-ADD:0304727,-6.47,C(=O)(N(CC1)CCO1)Oc2c(Br)cc(cc2Br)C=O,0.0
74519,CO-ADD:0304816,-6.47,N1(\N=C\c2ccco2)C(=O)c(ccc(c3)[N+](=O)[O-])c3NC1c4ccco4,0.0
74520,CO-ADD:0304588,-6.47,N1C(CSCC(=O)Nc(cc2)ccc2C(OCCCC)=O)=NNC1=O,0.0
74521,CO-ADD:0305151,-6.47,C(C(=O)OCc1ccccc1)(=C(C)NC(=C23)CCCC2=O)C3c4ccccc4Br,0.0
74522,CO-ADD:0305109,-6.47,C1(=O)Nc(c2N1)ccc(c2)NC(CCC)=O,0.0
74523,CO-ADD:0305125,-6.47,c1(c2c3ccc(cccc4)c24)c(CC(C)CC1)c(n3)c5ccc(cc5)SC.Cl,0.0
74524,CO-ADD:0304767,-6.47,c1(C(O)=O)cc(c(cc2OC)cc(c2O)Cl)nc(ccc(cccc3)c34)c14,0.0
74525,CO-ADD:0305293,-6.48,C(=O)(C(CCC)(CCC)O)NN1CCCCC1,0.0
74526,CO-ADD:0303317,-6.48,C(C#N)(C(c(cc1)ccc1C(C)C)CC(N2)=O)=C2SCC(OC(C)C)=O,0.0
74527,CO-ADD:0301417,-6.48,C12=C(CC(c3ccc(cc3)OC)CC1=O)c4c(ccc(cccc5)c45)NC2c6cccc(Br)c6,0.0
74528,CO-ADD:0302808,-6.48,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(ccc4c5ccccc5F)o4)\C1=O,0.0
74529,CO-ADD:0301645,-6.48,c1(cc(C#N)c(cc1N2CCc(c3C2)cccc3)C#N)[N+](=O)[O-],0.0
74530,CO-ADD:0302974,-6.48,C1([N+](=O)[O-])=C(NCCc(ccc(c2OC)OC)c2)c3c(cccc3)OC1=O,0.0
74531,CO-ADD:0304181,-6.48,N1\C(=N/N=C(\C)/c(cc2OC)cc(c2OC)OC)\SC(CC(O)=O)C1=O,0.0
74532,CO-ADD:0306908,-6.48,c1(C2c3ccccc3OCCC)c([nH]nc1c4ccc(cc4Cl)Cl)OC(N)=C2C#N,0.0
74533,CO-ADD:0307178,-6.48,C1(=O)Nc2c(Oc(cc(cc3Oc(cc4)ccc4CCC(C)=O)[N+](=O)[O-])c13)cccc2,0.0
74534,CO-ADD:0305867,-6.48,c1(NC(=O)c2ccc(c(OC)c2)OC)sc(c3c1C(OC)=O)CCCC3,0.0
74535,CO-ADD:0305505,-6.48,[N+](=O)([O-])c1ccc(cc1NC2CC2)NCCN,0.0
74536,CO-ADD:0307136,-6.49,c(c1c(cc2)ccn2)(C3c4ccc(c5c4)OCO5)c([nH]n1)OC(N)=C3C#N,0.0
74537,CO-ADD:0307098,-6.49,c1(ccc(cc1Cl)Cl)C(=O)N(CC2)CCN2c(cc3)c(F)cc3C(=O)c4ccc(c(Br)c4)OC,0.0
74538,CO-ADD:0311485,-6.49,C1(=NCC(C)S1)N(CCc2ccccc2)C(=O)Nc3cccc(Cl)c3,0.0
74539,CO-ADD:0311142,-6.49,c1(cc(ccc1N2CCCCC2)c3oc(nn3)C)[N+](=O)[O-],0.0
74540,CO-ADD:0310918,-6.49,[N+](=O)([O-])c1c(OCC)ccc(c1)C(NCCNc2c(cccc2[N+](=O)[O-])Cl)=O,0.0
74541,CO-ADD:0310959,-6.49,C(Nc(cc1)ccc1OC(F)(F)F)(C(OC)=O)(C(F)(F)F)NC(=O)c2ccccc2OC,0.0
74542,CO-ADD:0312317,-6.49,C(C(=O)c1cccs1)(C2c3cccc(OC)c3)=C(O)C(N2CCc4ccccc4)=O,0.0
74543,CO-ADD:0307598,-6.49,c1(SCC(NCCOC)=O)n(c2ccccc2)c(c(c3ccccc3)n1)c4ccccc4,0.0
74544,CO-ADD:0320667,-6.49,c1(c(C)[nH]c(C(OCC)=O)c1C)C2C(C#N)=C(N)Oc3c2c(C)n[nH]3,0.0
74545,CO-ADD:0319860,-6.49,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCCN(CC)CC,0.0
74547,CO-ADD:0320588,-6.5,[N+](=O)([O-])c1cccc(c1)C(N)CC(OCC)=O,0.0
74548,CO-ADD:0324008,-6.5,S(=O)(=O)(NC(c1ccc(cc1)C)CC(OCC)=O)c2c(C)cc(cc2C)C,0.0
74549,CO-ADD:0324770,-6.5,C(C(c1ccccc1)=O)(C2c3ccc(cc3)F)=C(O)C(N2CCNCCO)=O,0.0
74550,CO-ADD:0323107,-6.5,N(CC1)(CCN1CCC(=O)Nc(ccc(c2Br)C)c2)c3ccc(cc3)Cl,0.0
74551,CO-ADD:0323331,-6.5,c1(nc(C)c(n2)C)n2cc(c3ccc(cc3)F)n1,0.0
74552,CO-ADD:0324459,-6.5,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc(cc3)ccc3OC(F)(F)Cl,0.0
74553,CO-ADD:0323244,-6.5,c1(C#N)c(C)c(Cl)c(nc1SCC(O)=O)C,0.0
74554,CO-ADD:0320723,-6.5,C(C(OC)=O)(C(F)(F)F)(Nc1c(Cl)cc(cn1)Cl)NC(=O)c2ccccc2OC,0.0
74555,CO-ADD:0321435,-6.5,c1(N2CCCCC2)nc(NCc3ccco3)nc(Nc4scc(c5ccccc5)n4)n1,0.0
74556,CO-ADD:0324120,-6.5,C1(c2ccc(cc2)OC)=C(NCCc(cc3)ccc3S(N)(=O)=O)c4c(cccc4)C1=O,0.0
74557,CO-ADD:0324416,-6.5,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(ccc3c4ccccc4[N+](=O)[O-])o3,0.0
74558,CO-ADD:0324585,-6.5,[N+](=O)([O-])c1cccc(CNCCc2ccccc2)c1.Cl,0.0
74559,CO-ADD:0324881,-6.5,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(cc3)ccc3OCCOc4cccc(OC)c4)\C1=N,0.0
74560,CO-ADD:0324890,-6.5,C1(=NCCc(cccc2)c12)c3c(Cl)ccc(c3)[N+](=O)[O-],0.0
74561,CO-ADD:0324547,-6.5,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(cc3)ccc3OC(F)(Cl)F)n2)CC(CCCC)CC,0.0
74562,CO-ADD:0323050,-6.5,n1(CCP(=O)([O-])CN(C)C)c2c(c(cccc3)c13)cccc2.[Na+],0.0
74563,CO-ADD:0324179,-6.5,c1(NC(=S)NC(=O)c2ccccc2Cl)sc(c(C)c1C(OCC)=O)C,0.0
74564,CO-ADD:0323815,-6.51,S(=O)(=O)(c1ccc(cc1)C)OC(CC2(C)C)CC(N2OC(=O)c3ccco3)(C)C,0.0
74565,CO-ADD:0304842,-6.51,c1(C#N)c(SCC(=O)Nc2ccccc2C#N)nc(cc1C(F)(F)F)c3cccs3,0.0
74566,CO-ADD:0304753,-6.51,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(ccc(c34)OCO3)c4)n2)Cc5cccc(Cl)c5,0.0
74567,CO-ADD:0300768,-6.51,N(CN1CCC(CC1)C)(N=C(N2C)c3ccco3)C2=S,0.0
74568,CO-ADD:0305070,-6.51,c1(NC(c2ccccc2)=O)c(c(cc3)ccc3[N+](=O)[O-])sc4c1c(COC)cc(n4)C,0.0
74569,CO-ADD:0304574,-6.51,C(N(CC1)CCN1CC)(C2=O)=C(Cl)C(C(N(CC3)CCN3CC)=C2Cl)=O,0.0
74570,CO-ADD:0305071,-6.51,c1(sc2c(c(COC)cc(C)n2)c1N)c3[nH]c(c(c4)n3)cc(c4[N+](=O)[O-])[N+](=O)[O-],0.0
74571,CO-ADD:0304511,-6.51,[N+](=O)([O-])c1ccc(c(SCC(OC)=O)c1)NC(OC)=O,0.0
74572,CO-ADD:0305279,-6.51,c12c(n(c(N\N=C\c3ccccc3O)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
74573,CO-ADD:0305294,-6.51,C(=O)(C(CC)(CC)O)NN1CCCCC1,0.0
74574,CO-ADD:0305303,-6.51,C(=O)(NNc1cccc(cccc2)c12)C(O)(c3ccccc3)c4ccccc4,0.0
74575,CO-ADD:0304655,-6.51,C(=C\c(cc1)ccc1SC)(/C(C)=NO2)\C2=O,0.0
74576,CO-ADD:0304813,-6.51,C(C1(CCCCC1)O)#Cc(cc2)ccc2C(=O)NCC(c3ccccc3)c4ccccc4,0.0
74577,CO-ADD:0301263,-6.51,N1(c2sccn2)C(=O)\C(\SC1=N)=C\c(cc3)ccc3N(C)C,0.0
74578,CO-ADD:0302056,-6.51,C1(=NC(=O)NC2=O)C2=Cc3c(cccc3Cl)N1c4ccc(cc4)Br,0.0
74579,CO-ADD:0302863,-6.51,N(c1cccc(cccc2)c12)=Nc(ccc(c3\C=N\c4ccccc4C)O)c3,0.0
74580,CO-ADD:0301537,-6.51,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)Oc5ccccc5)c6ccc(cc6)Br,0.0
74581,CO-ADD:0301418,-6.52,n1c(ccc(c23)cccc2)c3c4c(CCC4)c1c5ccco5.Cl,0.0
74582,CO-ADD:0302966,-6.52,c12c(c(ncn1)O)c3c(CCCC3)s2,0.0
74583,CO-ADD:0311691,-6.52,C(=C/c(c(cccc1)c1n2CC(O)=O)c2)(/C(=O)NN3c4ccccc4)\C3=O,0.0
74584,CO-ADD:0311256,-6.52,c12c(c(ccn1)O)ccc(c(ccn3)O)c23.Cl,0.0
74585,CO-ADD:0311251,-6.52,c1(NC(=O)c2ccccc2C)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
74586,CO-ADD:0305779,-6.52,c1(NC(COc2cccc(Br)c2)=O)sc(c3c1C#N)CCC3,0.0
74587,CO-ADD:0305723,-6.52,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c(cc3OC)cc(c3O)OC,0.0
74588,CO-ADD:0307113,-6.52,c1(noc(c2cc(Br)ccc2OCc3ccccc3Cl)n1)c4nonc4N,0.0
74589,CO-ADD:0307377,-6.52,S(N)(=O)(=O)c1ccc(cc1)NC(COC(=O)\C(\C#N)=C\c(cc2)ccc2N(C)C)=O,0.0
74590,CO-ADD:0312079,-6.52,n1(c2ccccc2)c(SCC(=O)Nc3ccccc3OC(C)C)nnc1c4cccc(F)c4,0.0
74591,CO-ADD:0307040,-6.52,c(cc1C)(c(F)cc1C(C)=O)N(CC2)CCN2C(=O)c3ccc(cc3)F,0.0
74592,CO-ADD:0307650,-6.52,N1C(=O)CSc(ccc(N)c2)c12,0.0
74593,CO-ADD:0311896,-6.52,C(=O)(C(=O)NCc1ccco1)c2ccccc2NC(C)=O,0.0
74594,CO-ADD:0307510,-6.52,C(=C(\Oc(cc(N)cc1OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1)/C(F)(F)F)(/C(F)(C(F)(F)F)C(F)(F)F)\C(F)(C(F)(F)F)C(F)(F)F,0.0
74595,CO-ADD:0323502,-6.52,c1(SCN2CCCCCC2=O)oc(c3n1)cccc3,0.0
74596,CO-ADD:0323679,-6.53,c12n(c(cc(C)n1)C)nc(SCC=C)n2,0.0
74597,CO-ADD:0323727,-6.53,n1c(SCc(cc2)ccc2Br)nnc(C)c1O,0.0
74598,CO-ADD:0324524,-6.53,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(N(CCC(C3)(CC4CC3CC5C4)C5)C1=S)CC(=O)Nc(cc6)ccc6OC,0.0
74599,CO-ADD:0321482,-6.53,c1(\N=C\c(cc2)ccc2C)c(c(cc3)ccc3[N+](=O)[O-])sc4c1c(COC)cc(n4)C,0.0
74600,CO-ADD:0321522,-6.53,N1(c2ccccc2OC)C(=O)C(C3C1=O)C(C)(CC4=O)CC34C,0.0
74601,CO-ADD:0321339,-6.53,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc(c3OC)OCc4ccccc4Cl)c3)\C1=N,0.0
74602,CO-ADD:0321275,-6.53,N1(c2ccccc2OCCCC)C(=O)c(c3C1=O)ccc(c3)C45CC(CC6C4)CC(C6)C5,0.0
74603,CO-ADD:0321326,-6.53,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OCC)OCCOCCOc(ccc(c4C)C)c4)c3)\C2=N,0.0
74604,CO-ADD:0324802,-6.53,S(=O)(=O)(CCC(O)=O)c(ccc(c12)NC(C(=O)N1)=O)c2,0.0
74605,CO-ADD:0324889,-6.53,c1(cc(ccc1N(CC2)CCO2)[N+](=O)[O-])C3=NCCc(cccc4)c34,0.0
74606,CO-ADD:0324394,-6.53,c1(C(OC)=O)oc(c2c1NC(Cc(ccc(c3OCC)OCC)c3)=O)cccc2,0.0
74607,CO-ADD:0323646,-6.53,n1(CC(=O)N(c2cccc(Cl)c2)C3(CCCCC3)C(=O)Nc4ccccc4C)nnnc1N,0.0
74608,CO-ADD:0319087,-6.53,c1(ccco1)C(NCCOc(cc2)ccc2OCCCC)=O,0.0
74609,CO-ADD:0319560,-6.53,c12c(nnc(SCc(cccc3C(F)(F)F)c3)n1)c4c(cccc4)n2C,0.0
74610,CO-ADD:0304549,-6.53,c1(Nc(cc2)ccc2F)nc(Cl)nc(NCCC3=CCCCC3)n1,0.0
74611,CO-ADD:0304952,-6.53,c1(SC(C)C(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc4ccccc4)c2)nnnn1c5ccccc5,0.0
74612,CO-ADD:0304505,-6.53,C1(=O)Nc2c(Oc(cc(cc3OCC)[N+](=O)[O-])c13)cccc2,0.0
74613,CO-ADD:0304921,-6.53,N1(c2cccc(COC)c2)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
74614,CO-ADD:0304937,-6.53,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(CSC(N(CC)CC)=S)=O)n1,0.0
74615,CO-ADD:0300471,-6.53,N1(c2ccc(cc2[N+](=O)[O-])C#N)C(=O)c3c(C(c4ccccc4)=N1)cccc3,0.0
74616,CO-ADD:0303912,-6.53,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3cccc(OC)c3,0.0
74617,CO-ADD:0301565,-6.53,C1(SC(S2)=O)=C2SC\C(=N\NC(COc3ccccc3)=O)\CS1,0.0
74618,CO-ADD:0303868,-6.53,N1(CC(CC1=O)c2ccccc2)C(=O)c3ccccc3[N+](=O)[O-],0.0
74619,CO-ADD:0303860,-6.54,N(CC1C)(CC(O1)C)C(=S)c2ccc(cc2)Cl,0.0
74620,CO-ADD:0301865,-6.54,C(C(OC)=O)(C1c2ccc(c(Cl)c2)Cl)=C(C)N(C(C)=C1C(OC)=O)C,0.0
74621,CO-ADD:0301364,-6.54,n1(c2c(n3)cccc2)c3S\C(=C/c(c(cccc4)c4n5CC(O)=O)c5)\C1=O,0.0
74622,CO-ADD:0301473,-6.54,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3cc(Br)ccc3OC,0.0
74623,CO-ADD:0304403,-6.54,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4ccccc4C(=O)N(CC5)CCO5)n1,0.0
74624,CO-ADD:0304372,-6.54,n1(c2c(nc1SC)cccc2)C(=O)Oc3ccccc3,0.0
74625,CO-ADD:0302400,-6.54,C(N)(=O)NC(CCC(N)=O)C(O)=O,0.0
74626,CO-ADD:0303142,-6.54,C(=O)(c1c2cccc1)OC(=N2)C,0.0
74627,CO-ADD:0302734,-6.54,N1(C2c3ccc(cc3)OC)C(S\C(=C\c4ccc5c(ccc(C)c5)n4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
74628,CO-ADD:0302816,-6.54,n(c1ccc(c(C)c1)C)(c2C)nc(c2\C=C(/C#N)\c3[nH]c(c4n3)cccc4)C.Cl,0.0
74629,CO-ADD:0307603,-6.54,C(=O)(N1CCCCC1C)c2cccc(F)c2F,0.0
74630,CO-ADD:0307301,-6.54,N(C(=O)c1ccccc1Cl)C(=S)N(CC2)CCN2C,0.0
74631,CO-ADD:0306165,-6.54,C([C@@H](C)C)(C(SC[C@H](N)C(=O)O)C1)CC[C@H]1C,0.0
74632,CO-ADD:0306125,-6.55,c1(cc(F)c(cc1N(CC2)CCN2C(CCC)=O)N3CCC(CC3)C)[N+](=O)[O-],0.0
74633,CO-ADD:0311503,-6.55,N1(c2ccc(cc2)OC)C(=O)CC(N(Cc(ccc(c34)OCO3)c4)C(CC)=O)C1=O,0.0
74634,CO-ADD:0310976,-6.55,C(C(OC)=O)(C(F)(F)F)(NC(c1ccccc1)=O)Nc2sc3c(CCC(C(C)(C)C)C3)c2C#N,0.0
74635,CO-ADD:0312337,-6.55,c1(SCc2ccccc2)cc(ccc1C#N)SCc3ccccc3,0.0
74636,CO-ADD:0307568,-6.55,C(/C#N)(=C/c(ccc1c2ccc(cc2)F)o1)\C(=O)Nc3ccccc3C(OCC)=O,0.0
74637,CO-ADD:0305790,-6.55,c1(NC(COc(cc2)ccc2I)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
74638,CO-ADD:0311342,-6.55,c1(OC(=O)C=C2C)c2cc(OCC)c(Cl)c1,0.0
74639,CO-ADD:0311918,-6.55,C(C=CC(N1)=O)(=C1)C(=O)NCc2ccco2,0.0
74640,CO-ADD:0310968,-6.55,C(C(OC)=O)(C(F)(F)F)(NC(=O)c1ccccc1Cl)Nc2sc(c(C)c2C(OCC)=O)c3ccccc3,0.0
74641,CO-ADD:0320706,-6.55,c1(ccccc1NC(=O)c2ccc(cc2)OCc3ccccc3Cl)C(OC)=O,0.0
74642,CO-ADD:0321438,-6.55,n1c(c2ccc(cc2)OCc3ccccc3F)cc(c4c1ccc(c45)cccc5)C,0.0
74643,CO-ADD:0321425,-6.55,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/NCCCn(ccn3)c3,0.0
74644,CO-ADD:0321215,-6.55,n1c(SCc2ccccc2)nc(c3c1SCC(O)=O)cccc3,0.0
74645,CO-ADD:0321511,-6.55,c(Sc(cc1C(C)(C)C)cc(c1O)C(C)(C)C)(c(F)c(F)nc2N3CCCC3)c2F,0.0
74646,CO-ADD:0324069,-6.55,n1c(O)cc(nc1SCC(=O)Nc2ccccc2C(F)(F)F)CCC,0.0
74647,CO-ADD:0324446,-6.55,S(NCCOC(C1)(C2)CC(CC2C3)CC13)(=O)(=O)c4ccc(c(cccc5)c45)OC,0.0
74648,CO-ADD:0323404,-6.55,N1(c2ccccc2C(F)(F)F)C(=O)\C(\SC1=N)=C\c(cc3)ccc3OCc4ccccc4F,0.0
74649,CO-ADD:0324901,-6.55,S(=O)(=O)(NC(CC)C12CC3CC(CC(C3)C1)C2)c4c(Cl)ccc(Cl)c4,0.0
74650,CO-ADD:0324669,-6.55,S(=O)(=O)(c1ccc(cc1)F)N(CC2)CCN2c3ccc(cc3)C,0.0
74651,CO-ADD:0324654,-6.55,C1(=C(O)CC(C)(C)CC1=O)C(c(ccc(c2CO)OC)c2)C3C(=O)CC(CC3=O)(C)C,0.0
74652,CO-ADD:0324058,-6.56,C12(CC3CC(CC(C3)C1)C2)C(=O)NC(CCSC)C(=O)OCC(=O)c4ccc(cc4)Br,0.0
74653,CO-ADD:0323610,-6.56,C(NCCC(CC1CC2CC3C1)(C3)C2)(C(F)(F)F)(C(F)(F)F)NC(=O)c4cccc(Cl)c4,0.0
74654,CO-ADD:0324869,-6.56,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c3ccccc3OCCOc(cc4)ccc4C)\C2=N,0.0
74655,CO-ADD:0319592,-6.56,C12=C(CC(C)(C)CC1=O)Nc(c3C2c4cc(OC)ccc4OC)ccc5c3cccn5,0.0
74656,CO-ADD:0304891,-6.56,c1(F)cc(Br)ccc1NN.Cl,0.0
74657,CO-ADD:0305164,-6.56,C1(CC(=O)Nc(cc(C)c(C)c2)c12)c3cc4c(cc3Br)OCO4,0.0
74658,CO-ADD:0305103,-6.56,[n+]1([O-])ccn(O)c1C#N,0.0
74659,CO-ADD:0304595,-6.56,c1(OC(CC)=O)c(OC)cc(cc1Br)C=O,0.0
74660,CO-ADD:0304930,-6.56,c1(SCC(=O)Nc(cc2)ccc2Br)nnnn1CC,0.0
74662,CO-ADD:0301000,-6.56,S(=O)(=O)(N(CC1)CCO1)c2c(ccc(c2)[N+](=O)[O-])Sc3nnc(Cc4ccccc4)n3C,0.0
74663,CO-ADD:0300720,-6.57,c(N(CC1)CCN1CCO)(n2)nc(nc2N3CCCCC3)N4CCCCC4,0.0
74664,CO-ADD:0300850,-6.57,[N+](=O)([O-])c1ccc(cc1NCc(cc2)ccc2C(C)(C)C)Cl,0.0
74665,CO-ADD:0300978,-6.57,C(=O)(c1ccc(cc1)N)NCC2CCCO2,0.0
74666,CO-ADD:0301352,-6.57,n1(CC(=O)N\N=C\c2cccc(F)c2F)nnnc1N,0.0
74667,CO-ADD:0303121,-6.57,C(C(F)(F)F)(C(F)(F)F)(NC(=O)c(cccn1)c1)Nc2sc(c3c2C(OC)=O)CCCCC3,0.0
74668,CO-ADD:0302880,-6.57,C(=O)(c(cccc1NC(C(C)C)=O)c1)Nc(cc2)ccc2C(O)=O,0.0
74669,CO-ADD:0301559,-6.57,c(cc(n1)C)(nc2O)n1c(c2CC(OCC)=O)C,0.0
74670,CO-ADD:0301333,-6.57,c12c(n(cn1)Cc(cc3)ccc3C(C)(C)C)C(N(C)C(=O)N2C)=O,0.0
74671,CO-ADD:0301849,-6.57,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(OCC)=O,0.0
74672,CO-ADD:0301476,-6.57,c(NC(=O)c1ccccc1OC)(s2)c(C(OCC)=O)c(c2C(=O)N3CCCCC3)C,0.0
74673,CO-ADD:0301824,-6.57,c1(c2c(sc1NC(COc3cc(C)ccc3C(C)C)=O)CCCC2)C(=O)OC(C)C,0.0
74674,CO-ADD:0304329,-6.57,n(c1c(CCCCC1)cc2C#N)c2SCC(=O)Nc3ccccc3OC,0.0
74675,CO-ADD:0302503,-6.57,C(=O)(c1cccc(c1)NC(=O)c2ccc(cc2)Cl)N3CCCCC3,0.0
74676,CO-ADD:0303249,-6.57,c1(c2c(sc1NC(=O)c3ccccc3C)CCCCC2)C(=O)Nc4ccccc4OCC,0.0
74677,CO-ADD:0301492,-6.57,C(C)(C)(C(=O)OC(C1(C)C)c(cc2)ccc2[N+](=O)[O-])C1=O,0.0
74678,CO-ADD:0301778,-6.57,c1(C(O)=O)cc(c(cc2)cc(c2OC(C)C(O)=O)OC)nc(ccc(cccc3)c34)c14,0.0
74679,CO-ADD:0312159,-6.57,n(c1c(CCC1)cc2C#N)c2SCC(NCCc3ccccc3)=O,0.0
74680,CO-ADD:0307549,-6.57,c12c(cc(C)c(C)c1)NC(CC2c3cc(Br)ccc3OC)=O,0.0
74681,CO-ADD:0311581,-6.57,c1(N)sc2c(ccc(F)c2)n1,0.0
74682,CO-ADD:0312196,-6.57,C(c1ccccc1)(CC2)(CCN2Cc(cc3)ccc3C(O)=O)C(OCC)=O,0.0
74683,CO-ADD:0305454,-6.57,N1(c2ccccc2)C(=O)c3c(N=C1SCC(NCCCC)=O)ccc(I)c3,0.0
74684,CO-ADD:0312272,-6.58,n1(c2ccccc2)c(SCC(=O)NC(c3ccccc3)c4ccccc4)nnc1c5cccc(F)c5,0.0
74685,CO-ADD:0311753,-6.58,c1(nc(OCC(F)(F)F)nc(Nc(cc2)ccc2OC(F)(F)F)n1)n3c(C)cc(C)n3,0.0
74686,CO-ADD:0311341,-6.58,S(=O)(=O)(c1ccc(c(C)c1)Cl)N(CCCN2S(=O)(=O)c3ccc(c(C)c3)Cl)CC2,0.0
74687,CO-ADD:0311715,-6.58,N1(c2cc(Cl)ccc2[N+](=O)[O-])N=C(\C(=C/c(cc3)ccc3C(C)(C)C)\C1=O)C,0.0
74688,CO-ADD:0305898,-6.58,c1(C(=O)Nc(ccc(c23)CCC2)c3)c(Cl)c4c(cccc4)s1,0.0
74689,CO-ADD:0306342,-6.58,[N+](=O)([O-])c(ccc(c1NC(=O)c2ccco2)C(O)=O)c1,0.0
74690,CO-ADD:0307211,-6.58,n1c(O)cc(nc1SCC(=O)Nc(cc2)ccc2OC(F)(F)F)CCC,0.0
74691,CO-ADD:0305953,-6.58,c1(c2c(sc1NC(COc(cc3)ccc3Cl)=O)CCCC2)C(=O)OC(C)C,0.0
74692,CO-ADD:0305536,-6.58,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCOc4ccccc4C,0.0
74693,CO-ADD:0305402,-6.58,c1(NC(c2ccccc2)=O)sc3c(CCC(C(C)(C)C)C3)c1C(OCC)=O,0.0
74694,CO-ADD:0311693,-6.58,c1(SCC(=O)Nc(ccc(c2C)C)c2)[nH]c(c3n1)ccc(C)c3,0.0
74695,CO-ADD:0305758,-6.58,c(N(CC(CC1C(N23)=CC=CC2=O)C3)C1)(nc(N(CC4)CCO4)nc5N(CC6)CCO6)n5,0.0
74696,CO-ADD:0321465,-6.58,S(=O)(=O)(NC(CC1(C)C)CC(N1)(C)C)c(c(C)ccc2c3c4c(cccc4)c(nn3)Cl)c2,0.0
74697,CO-ADD:0320921,-6.58,n1c(c2ccccc2)csc1\C(\CNC(=O)c(cccc3[N+](=O)[O-])c3C)=C\c4ccccc4Cl,0.0
74698,CO-ADD:0320722,-6.58,C(C(OC)=O)(NNc1ccccc1)(C(F)(F)F)NC(=O)c2ccccc2OC,0.0
74699,CO-ADD:0324300,-6.58,c1(N2CCCCC2)nc(COc3ccccc3Cl)nc(N)n1,0.0
74700,CO-ADD:0320754,-6.58,c1(nc(c2n1Cc(nc(NC(C)=O)nc3NC(C)=O)n3)cccc2)c4nonc4NC(C)=O,0.0
74701,CO-ADD:0321387,-6.58,S(=O)(=O)(CC(C1CC(=O)NCc2ccccc2)CC(=O)NCc3ccccc3)C1,0.0
74702,CO-ADD:0323667,-6.58,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(c5cccs5)CC4=O)NC(C)=C3C(OCC)=O,0.0
74703,CO-ADD:0321474,-6.59,n1(CC(=O)N(Cc2ccccc2)C3(CCCCC3)C(=O)Nc4ccccc4)nnnc1N,0.0
74704,CO-ADD:0323749,-6.59,c(C(F)(F)F)(c(Br)c(n1CC(=O)NC(C)c2ccccc2)C)n1,0.0
74705,CO-ADD:0320994,-6.59,C(=C/c(cc(ccc(c1)C)c1n2)c2O)(/C(=O)NC(N3)=O)\C3=O,0.0
74706,CO-ADD:0323549,-6.59,n(CC(=O)NCC1CCCO1)(c2c(c3\C=C(/C#N)\C(=O)N4CCCC4)cccc2)c3,0.0
74707,CO-ADD:0319652,-6.59,N1(c2ccc(cc2)Cl)C(=O)C(N(Cc3ccco3)C1=S)CC(=O)Nc4ccccc4,0.0
74708,CO-ADD:0319716,-6.59,c12c(nnc(SCC(=O)NC(C)(C)C)n1)c3c(cccc3)n2CC=C,0.0
74709,CO-ADD:0320045,-6.59,N1C(c2cccc(c2)OCc3c(cccc3Cl)Cl)SCC1C(O)=O,0.0
74710,CO-ADD:0321322,-6.59,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)ccc3OCCOc4cccc(C)c4)\C2=N,0.0
74711,CO-ADD:0324209,-6.59,C(C(OCC)=O)(C1c(cc2)ccc2C(F)(F)F)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
74712,CO-ADD:0323037,-6.59,c1(c2ccccc2)nc(O)cnc1c3ccccc3,0.0
74713,CO-ADD:0304456,-6.59,C(=C\NCc1ccccc1)(/C#N)\C#N,0.0
74714,CO-ADD:0300629,-6.59,C1(c2ccccc2C(F)(F)F)C(=CNC=C1C(OC)=O)C(OC)=O,0.0
74715,CO-ADD:0305143,-6.59,c1(cnc(C)n1CCSc2nnnn2c3ccc(cc3)OC)[N+](=O)[O-],0.0
74716,CO-ADD:0304640,-6.59,c1(N(CC2)CCN2C)nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1,0.0
74717,CO-ADD:0300623,-6.59,c1(NC(=O)c2ccc(c(OC)c2)OC)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccc(cc3C)C,0.0
74718,CO-ADD:0300888,-6.59,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4ccccc4F,0.0
74719,CO-ADD:0301202,-6.59,N1(c2ccc(cc2)OCC)CC(CC1=O)C(NCCc3ccccc3)=O,0.0
74720,CO-ADD:0301114,-6.59,N1(c(cc2)ccc2N(C)C)C(c3c(ccc(cccc4)c34)OCc(cc5)ccc5Cl)N(N=C1C(C)=O)c6ccc(cc6)C,0.0
74721,CO-ADD:0304745,-6.59,c1(n(CCCc(nnc2NC(CC)=O)s2)c3c(cccc3)n1)c4nonc4NC(CC)=O,0.0
74722,CO-ADD:0305225,-6.59,c1(c(NCCN2CCOC2=O)ccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
74723,CO-ADD:0305249,-6.59,S(=O)(=O)(N1CCCC1)c2cccc(cccc3Cl)c23,0.0
74724,CO-ADD:0302921,-6.59,N1(c2ccc(cc2)OCC)C(c3ccc(c4c3)OCO4)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
74725,CO-ADD:0301599,-6.6,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cccc(OCC)c5)cccc4,0.0
74726,CO-ADD:0303517,-6.6,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c(cc4OC)cc(c4OC)OC,0.0
74727,CO-ADD:0302849,-6.6,N1(CCC(O)=O)C(=O)\C(\SC1=S)=C\c2cccs2,0.0
74728,CO-ADD:0302614,-6.6,N1(c2ccccc2OC)C(\C=C\c(cc3)ccc3Cl)=Nc(c4C1=O)cccc4,0.0
74729,CO-ADD:0304306,-6.6,N12C(S\C(=C/c3ccccc3O)\C1=O)=NCN(c4ccc(cc4)OCC)C2,0.0
74730,CO-ADD:0302749,-6.6,c12c(C(N(C)C(=O)N1C)=O)n(c(SCCn3c(C)ncc3[N+](=O)[O-])n2)Cc4ccccc4Cl,0.0
74731,CO-ADD:0302082,-6.6,c1(cc(ccc1C(O)=O)Oc(cc2)ccc2NC(C(C)C)=O)C(O)=O,0.0
74732,CO-ADD:0303080,-6.6,C1(O)(CC(=O)c(ccc(c2[N+](=O)[O-])C)c2)c3c(NC1=O)cccc3,0.0
74733,CO-ADD:0301994,-6.6,C(C(N)=O)(=C(C)NC(=C1C(N)=O)C)C1c2ccco2,0.0
74734,CO-ADD:0301981,-6.6,c12c(ccc(cccc3)c13)NC(CC2c(cc4)ccc4c5ccccc5)=O,0.0
74735,CO-ADD:0301447,-6.6,C(C(OCC)=O)(C1c2ccc(cc2)F)=CN(C=C1C(OCC)=O)c3ccc(cc3)C,0.0
74736,CO-ADD:0305856,-6.6,c1(c2c(sc1NC(=O)c3cc(Cl)ccc3OC)CCCC2)C(=O)OC(C)C,0.0
74737,CO-ADD:0305516,-6.6,c1(cc(C)c(cc1N(CC2)CCN2C)N)[N+](=O)[O-],0.0
74738,CO-ADD:0306214,-6.61,N1(c2ccc(c3c2)OCO3)\C(=N\c(ccc(c45)OCO4)c5)\S\C(=C/c(ccc6c(cccc7[N+](=O)[O-])c7)o6)\C1=O,0.0
74739,CO-ADD:0310753,-6.61,c12c(cc(C)c(C)c1)NC(CC2c3ccccc3C)=O,0.0
74740,CO-ADD:0311248,-6.61,c1(NC(COc(cc2)ccc2I)=O)sc(c(C)c1C(OCC)=O)C,0.0
74741,CO-ADD:0305857,-6.61,c1(NC(=O)C(c2ccccc2)c3ccccc3)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
74742,CO-ADD:0311925,-6.61,C(CC(CC12)CC3C1)(C2)(C3)NC(C)(C)CO,0.0
74743,CO-ADD:0311615,-6.61,C(=N/c(cc1)ccc1OC(F)(Cl)F)(/SC(C(=O)Nc2ccccc2Cl)CC3=O)\N3CCc4ccccc4,0.0
74744,CO-ADD:0306177,-6.61,c1(noc(COc2ccc(cc2Br)Cl)n1)c3nonc3N,0.0
74745,CO-ADD:0311542,-6.61,C(/SC=C1c2ccccc2)(=N/c3ccccc3C)\N1Cc4ccco4.Br,0.0
74746,CO-ADD:0312420,-6.61,c1(C2c3ccccc3OC(=O)N(CC4)CCO4)c([nH]nc1c5cccs5)OC(N)=C2C#N,0.0
74747,CO-ADD:0305945,-6.61,c1(NC(=O)c2ccccc2Br)sc(c(C)c1C(OC)=O)C,0.0
74748,CO-ADD:0307630,-6.61,c1(c(OC)ccc(cccc2)c12)C3N(CCN3Cc(cc4)ccc4Cl)Cc(cc5)ccc5Cl,0.0
74749,CO-ADD:0311579,-6.61,C1(C(OC)=O)(C(F)(F)F)N=C(C=CC(=C2)Br)N2C(c3cccc(Cl)c3)=N1,0.0
74750,CO-ADD:0312576,-6.61,C([C@H]1O[C@@]23[C@]([C@@]14[H])([H])[C@@]5(O[C@H]4C(C56)C(N(C6=O)C)=O)CN(C(c7ccccc7)=O)C2)=C3,0.0
74751,CO-ADD:0312651,-6.61,C1=C[C@@H]2O[C@@]13[C@@]([C@]24[H])([H])[C@]([C@H](N([C@@H]35)C(=O)C(F)(F)F)C(C([C@H]5CC)=O)CC)(C(=C6C(OC)=O)C(OC)=O)O[C@@H]46,0.0
74752,CO-ADD:0307639,-6.61,S(=O)(=O)(NC1CCCCC1)c2ccc(c(cccc3)c23)F,0.0
74753,CO-ADD:0311318,-6.61,S(=O)(=O)(c1ccc(c(cccc2)c12)OCC)N(CC3)C(C)CN3S(=O)(=O)c4ccc(c(cccc5)c45)OCC,0.0
74754,CO-ADD:0320528,-6.61,N1(Cc2ccccn2)C(C)(O)C(OC1=O)(CC3(C)C)CC(N3)(C)C,0.0
74755,CO-ADD:0320168,-6.61,c(C#N)(c(\C(\C#N)=C\c1c[nH]nc1c2ccc(cc2)F)nn3c4ccccc4)c3N,0.0
74756,CO-ADD:0321395,-6.61,C1(C2c3ccc(cc3)Cl)=C(CCCC1=O)Nc(ccc4c5ccc(n4)C)c25,0.0
74757,CO-ADD:0320795,-6.61,N1(c(cccc2C(F)(F)F)c2)C(=O)NC(\C(=C/c3c4c([nH]c3C)cccc4)\C1=O)=O,0.0
74758,CO-ADD:0321188,-6.62,c1(c2NCCO)c(ccc2C(=O)N(CC3)CCO3)C(=O)c(c4C1=O)cccc4,0.0
74759,CO-ADD:0321532,-6.62,c1(nccn1C)Sc2cc(Cl)ccc2[N+](=O)[O-],0.0
74760,CO-ADD:0319260,-6.62,c1(c2c(cs1)CCCC2)C(=O)Nc(cccc3C(F)(F)F)c3,0.0
74761,CO-ADD:0321349,-6.62,n1(c2c(n3)cccc2)c3S\C(=C/c4cc(Cl)ccc4OS(=O)(=O)c5ccc(cc5)C)\C1=O,0.0
74762,CO-ADD:0323032,-6.62,C(F)(F)(F)c(cc1)ccc1C(=O)Nc(cc2)ccc2C(OCC)=O,0.0
74763,CO-ADD:0324184,-6.62,c12c(nnc(SCc3ccccc3F)n1)c4c(cccc4)n2CC(O)=O,0.0
74764,CO-ADD:0323056,-6.62,c12c(CCNC1c3ccc(c(cccc4)c34)OC)cc(c(OCC)c2)OCC.Cl,0.0
74765,CO-ADD:0324256,-6.62,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NCCc(cc3)ccc3Cl,0.0
74766,CO-ADD:0323995,-6.62,S(=O)(=O)(c1ccc(cc1)OC)NC(CC)C23CC4CC(CC(C4)C2)C3,0.0
74767,CO-ADD:0324006,-6.62,S(=O)(=O)(c1ccc(cc1)OCC)NC(c2ccc(cc2)C)CC(OCC)=O,0.0
74768,CO-ADD:0319805,-6.62,c1(NC(=O)c(cccc2[N+](=O)[O-])c2C)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
74769,CO-ADD:0304466,-6.62,c1(C(NCCCN(CC)CC)=O)nnn(Cc2ccccc2)c1N,0.0
74770,CO-ADD:0300549,-6.62,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)CC)cccc4,0.0
74771,CO-ADD:0300695,-6.62,c1(ccc(cc1OC)SC)C(NCCOc(ccc(c2C)C)c2)=O,0.0
74772,CO-ADD:0301088,-6.62,c1(SCC(=O)Nc2cccc(SC)c2)oc(c3n1)cccc3,0.0
74773,CO-ADD:0300912,-6.62,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3C(=O)c4ccccc4Cl)[N+](=O)[O-],0.0
74774,CO-ADD:0304971,-6.62,c(Nc(cc1)ccc1Cl)(nc(Cl)nc2Oc3ccccc3)n2,0.0
74775,CO-ADD:0301641,-6.62,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(ccc(c5[N+](=O)[O-])O)c5)cccc4,0.0
74776,CO-ADD:0302531,-6.62,c1(cc(ccc1N(CC2)CCO2)[N+](=O)[O-])C(c3ccccc3)=O,0.0
74777,CO-ADD:0302591,-6.63,N1(c(cc2)ccc2C(=O)N(C)c3ccccc3)C(=O)C(C4C1=O)C5CC4C=C5,0.0
74778,CO-ADD:0303486,-6.63,C(=O)(Nc1c(C)cccc1C)C2(CCCCC2)N(c3ccccc3)C(=O)CNC(C)=O,0.0
74779,CO-ADD:0303805,-6.63,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)c4ccccc4OC,0.0
74780,CO-ADD:0302556,-6.63,c1(c(ccc(c1)[N+](=O)[O-])[nH]n2)c2N,0.0
74781,CO-ADD:0302413,-6.63,N1(c2ccccc2OC)C(c(cc3)ccn3)Nc(c4C1=O)cccc4,0.0
74782,CO-ADD:0303295,-6.63,c1(C(O)=O)c2c(oc1C)CCCC2,0.0
74783,CO-ADD:0302820,-6.63,C(=O)(NC(C)(C)Cc(cc1)ccc1O)CC(=O)N\N=C\c(cc2)ccc2F,0.0
74784,CO-ADD:0303704,-6.63,c1(SCC(=O)NC2CC2)sc3c(ccc(OCC)c3)n1,0.0
74785,CO-ADD:0303690,-6.63,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(NCCOc4cccc(Cl)c4Cl)=O,0.0
74786,CO-ADD:0303775,-6.63,C1(=Cc(cc(Cl)cc2Cl)c2OC1=O)c3csc(\C(\C#N)=C\c(cc4)ccc4O)n3,0.0
74787,CO-ADD:0311304,-6.63,S(=O)(=O)(N1CCCCC1CC)c2c(Br)ccc(Br)c2,0.0
74788,CO-ADD:0311299,-6.63,S(=O)(=O)(c1ccc(cc1)OCC)N(CC2)C(C)CN2S(=O)(=O)c3ccc(cc3)OCC,0.0
74789,CO-ADD:0307578,-6.63,C(/C#N)(=C/c1ccc(C)o1)\C(=O)Nc2c(Cl)ccc(Cl)c2,0.0
74790,CO-ADD:0305751,-6.63,c1(ccccc1\N=C/c(cc2)ccc2Cl)C(=O)NCc3ccco3,0.0
74791,CO-ADD:0306972,-6.64,c1(C2c3cc(Br)ccc3OC(=O)N(CC4)CCO4)c([nH]nc1c5ccc(cc5)OCCCC)OC(N)=C2C#N,0.0
74792,CO-ADD:0305925,-6.64,n1(CCN(C)C)c2c(cc1C#N)cccc2.Cl,0.0
74793,CO-ADD:0312018,-6.64,c1(SCC(=O)Nc(cc2)ccc2OC(F)(Cl)F)[nH]c(c3n1)ccc(OC)c3,0.0
74794,CO-ADD:0312613,-6.64,c1ccc2c(n(ccc3)c3C(C4(OC(C=C4)(C5C(=O)O)c6ccc([N+](=O)[O-])cc6)C5C7=O)N27)c1,0.0
74795,CO-ADD:0312497,-6.64,C1(=CCC2([C@@H](C1)C(=O)N(C2)c3ccccc3)OC(=O)C)CCC,0.0
74796,CO-ADD:0312545,-6.64,c1(ccc(c2ccc(C)cc2)cc1)S(N3C[C@](O[C@H]4C5)(C=C4)[C@@H]5C3)(=O)=O,0.0
74797,CO-ADD:0306267,-6.64,[N+](=O)([O-])c1c(Cl)ccc(c1)C2CC(=O)Nc(cc(C)c(C)c3)c23,0.0
74798,CO-ADD:0311478,-6.64,N1(NC(=C(\C(\C)=N\c(cc2)ccc2C)C1=O)CCC)c3sc(c4n3)cccc4,0.0
74799,CO-ADD:0306832,-6.64,C1(C(OCCc2ccccc2)=O)=C(C)NC(=C3C1c4cc(OC)ccc4OC)CCCC3=O,0.0
74800,CO-ADD:0306824,-6.65,C1(CCC(NC1c2ccc(c(Br)c2)F)=O)[N+](=O)[O-],0.0
74801,CO-ADD:0306179,-6.65,c(ncnc1N)(s2)c1c3c2CC(CC3)C,0.0
74802,CO-ADD:0305923,-6.65,c1(c2c(sc1NC(=O)c3ccc(c(OC)c3)OC)CCCC2)C(=O)OC(C)C,0.0
74803,CO-ADD:0307083,-6.65,C12(C#N)C(c3cccc(F)c3)OC4(C(CCCC4)C1(C#N)C#N)OC2=N,0.0
74804,CO-ADD:0320216,-6.65,c12c(CCNC1c3ccc(c(OC)c3)OC)cc(c(OC)c2)OCC,0.0
74805,CO-ADD:0319857,-6.65,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NC3CC3,0.0
74806,CO-ADD:0319897,-6.65,S(=O)(=O)(c1ccnc2c1cccc2OC)N3CCC(C(CCCC4)C34)=O,0.0
74807,CO-ADD:0319921,-6.65,C1(=O)Nc2c(Oc(cc(Sc(cc3)ccc3C)cc4Sc(cc5)ccc5C)c14)cccc2,0.0
74808,CO-ADD:0320396,-6.65,N1C(COc(ccc2C(O)=O)c1c2)=O,0.0
74809,CO-ADD:0323927,-6.65,C1(c2ccccc2)(CC1)NC(=O)Nc(cc3)ccc3NC(C)=O,0.0
74810,CO-ADD:0323124,-6.65,S(=O)(=O)(Nc1ccccc1C)c2ccc(c3c2cccn3)OC,0.0
74811,CO-ADD:0323921,-6.65,[N+](=O)([O-])c(cc1)cc(c1C(=O)NCc2ccccc2)SCCO,0.0
74812,CO-ADD:0323580,-6.65,c1(ccccc1OC)C(NCCOc(ccc(c2C)C)c2)=O,0.0
74813,CO-ADD:0323734,-6.65,n(c(OCC)nc(n1)OCC)c1NCCC2=CCCCC2,0.0
74814,CO-ADD:0324067,-6.65,c1(cccc(cccc2)c12)NC(CSCC(=O)Nc(cc3)ccc3Br)=O,0.0
74815,CO-ADD:0323219,-6.66,N1(CCc(c2c([nH]3)ccc(c2)OC(F)(F)F)c3C)C(C)(O)C(OC1=O)(CC4(C)C)CC(N4)(C)C,0.0
74816,CO-ADD:0324660,-6.66,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3ccc(c(Cl)c3)Cl,0.0
74817,CO-ADD:0304668,-6.66,N1(c2ccc(cc2)CCCC)CC(CC1=O)C(=O)Nc3ccccc3C(OC)=O,0.0
74818,CO-ADD:0302525,-6.66,n1(c(cc2)ccc2C(O)=O)c(C)ccc1C,0.0
74819,CO-ADD:0301703,-6.66,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(ccc(c3OC)OCCOc(cc4)ccc4C(C)CC)c3)\C1=O)=O,0.0
74820,CO-ADD:0302835,-6.66,N1(c2ccc(cc2)F)C(=O)C(CC1=O)Nc(cc3)ccc3OC(F)(F)Cl,0.0
74821,CO-ADD:0304897,-6.66,c1(cccc(N)c1O)C(O)=O,0.0
74822,CO-ADD:0304536,-6.66,C(=C(C)NC(=C1C#N)SCc2ccccc2)(C(=O)Nc3ccccc3OC)C1c(cco4)c4,0.0
74823,CO-ADD:0305026,-6.66,c1(onc(c(cccc2[N+](=O)[O-])c2)n1)C(F)(F)F,0.0
74824,CO-ADD:0304475,-6.66,P(N(C)C)(N(C)C)(N(C)C)=NN=Nc1sc(c2n1)cccc2,0.0
74825,CO-ADD:0303781,-6.66,c1(c2N)c(nc(CCC3)c3c1C(CCC=C4)C4)sc2C#N,0.0
74826,CO-ADD:0302886,-6.66,c1(c2ccccc2)nc(c(cc3)ccc3NC(C(C)C)=O)cc(c(cc4)ccc4NC(C(C)C)=O)n1,0.0
74827,CO-ADD:0303504,-6.66,c1(C2(CCCCC2)N(C)C)nnnn1c3ccc(cc3)Cl,0.0
74828,CO-ADD:0302573,-6.66,c1(c2cccc(OC)c2OCC(O)=O)[nH]c(c(c3ccccc3)n1)c4ccccc4,0.0
74829,CO-ADD:0302919,-6.66,N1(c2ccc(c(Cl)c2)Cl)C(c(cc3)ccc3N(CC4)CCO4)N(N=C1C(C)=O)c5ccccc5,0.0
74830,CO-ADD:0302894,-6.66,C1(SCC(=O)N1c2ccc(c(Cl)c2)C)(c3c(N4CN5CCC(CC5)C)cccc3)C4=O,0.0
74831,CO-ADD:0303007,-6.66,C1(C#N)=C(N)OC(=C2C13CCCC3)CCCC2=O,0.0
74832,CO-ADD:0302770,-6.67,n1(c(cc2)ccc2C(N)=O)nnnc1SCc3nnc(N)s3,0.0
74833,CO-ADD:0303008,-6.67,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c3ccc(Br)s3)\C1=O)=O,0.0
74834,CO-ADD:0304018,-6.67,N(\C(=C\c(cc1OC)cc(c1OC(c2ccccc2)=O)Cl)\C(O3)=O)=C3c4ccc(cc4)Cl,0.0
74835,CO-ADD:0302030,-6.67,[N+](=O)([O-])c1ccc(c2c1cccn2)N(CC3)CCN3c4cc(C)nc(cccc5)c45,0.0
74836,CO-ADD:0301269,-6.67,N1(C(=O)\C(\SC1=N)=C\c(ccc(c2OCC)OCCN(CC3)CCO3)c2)c4nonc4N,0.0
74837,CO-ADD:0311877,-6.67,C(C)(C)(C(=O)OC(C12CCCCC1)c3ccc(c(OC)c3)OC)C2=O,0.0
74838,CO-ADD:0305817,-6.67,c1(NC(=O)c(cccc2[N+](=O)[O-])c2C)sc(c(C)c1C(OC)=O)C,0.0
74839,CO-ADD:0312229,-6.67,C(C(OCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(c(OCC)c4)O,0.0
74840,CO-ADD:0312110,-6.67,C12(C#N)C(c3cccs3)OC4(C(CCCC4)C1(C#N)C#N)OC2=N,0.0
74841,CO-ADD:0306083,-6.67,n1c(O)cc(nc1SCc2c(C)cc(cc2C)C)C,0.0
74842,CO-ADD:0306163,-6.67,[C@@H]1(C[C@@H]2SC[C@H](C(=O)O)N)[C@@H](C1(C)C)C[C@H]2C,0.0
74843,CO-ADD:0306284,-6.67,C1(=O)Nc2c(Oc(cc(cc3Oc4ccccc4)[N+](=O)[O-])c13)cccc2,0.0
74844,CO-ADD:0312622,-6.67,c1ccc(C(C(C(=O)O)CC(=O)N(C\C=C\c2ccccc2)c3ccccc3)C4C(C5C(=O)O)C(=O)N(c6ccccc6)C4)c5c1,0.0
74845,CO-ADD:0312586,-6.67,C1=C[C@@](CN2C(C)=O)([C@]([C@@]3(O[C@H]4C=C3)C2)([C@]45C(OC)=O)C(OC)=O)O[C@H]15,0.0
74846,CO-ADD:0311308,-6.68,S(=O)(=O)(N(CCCN1S(=O)(=O)c2ccc(cc2C)C)CC1)c3ccc(cc3C)C,0.0
74847,CO-ADD:0307188,-6.68,n1(c(C)c(c2c1CC(C)(C)CC2=O)CC(Cl)(Cl)Cl)N3C(C)=CC(=C(C#N)C3=O)C,0.0
74848,CO-ADD:0306768,-6.68,C(C(OCCOC)=O)(C1c2ccc(cc2)SC)=C(C)NC(CCCC3=O)=C13,0.0
74849,CO-ADD:0307457,-6.68,c(S(NCCC)(=O)=O)(nn(c12)c(C)cc(C)n1)n2,0.0
74850,CO-ADD:0311613,-6.68,N1(Cc2ccccc2)\C(=N\c(cc3)ccc3OC(Cl)(F)F)\SC(C(=O)Nc4ccccc4Cl)CC1=O,0.0
74851,CO-ADD:0311616,-6.68,N1(Cc2ccccc2)\C(=N\c(cc3)ccc3OC(F)(Cl)F)\SC(C(=O)Nc(cc4)ccc4Cl)CC1=O,0.0
74852,CO-ADD:0306857,-6.68,n1c(OC)cc(nc1Cl)C(O)=O,0.0
74853,CO-ADD:0311860,-6.68,C(Nc(cc1)ccc1OC(Cl)(F)F)(C(OC)=O)(NC(C)=O)C(F)(F)F,0.0
74854,CO-ADD:0311837,-6.68,c1(N(CC2)CCO2)nc(OCC(F)(F)F)nc(Nc(cc3)ccc3OC(F)(F)F)n1,0.0
74855,CO-ADD:0320204,-6.68,[N+](=O)([O-])c(cc1)cc(c1C(=O)Nc(cc2)ccc2OC)SCc3ccccc3,0.0
74856,CO-ADD:0320549,-6.68,n1(cccc1C(N)CC(O)=O)c(cc2)ccc2[N+](=O)[O-],0.0
74857,CO-ADD:0319885,-6.68,c1(N(CC2)CCO2)nc(Nc(cc3)ccc3OC(F)(F)F)nc(NC(C)(C)C)n1,0.0
74858,CO-ADD:0320218,-6.68,C12=C(CCCC1=O)Nc(c3C2c4cccc(Cl)c4Cl)ccc5c3ccc(n5)C,0.0
74859,CO-ADD:0323759,-6.68,c(c1c(s2)CCC1)(C3=O)c2N=C(SCc4[nH]c(c5n4)cccc5)N3c6ccccc6,0.0
74860,CO-ADD:0323111,-6.68,C(OCCNC(=S)Nc(cc1)ccc1C(OCC)=O)(CC(CC2C3)CC34)(C4)C2,0.0
74861,CO-ADD:0323487,-6.68,c1(C(F)(F)F)nnc(SCC(=O)Nc2c(cccc2Cl)Cl)n1N,0.0
74862,CO-ADD:0320317,-6.68,N1(CCCC2COC(=O)Nc(cc3)ccc3Cl)C2CCCC1,0.0
74863,CO-ADD:0323324,-6.68,C1(=C(CC(c2ccc(cc2)Cl)CC1=O)Nc(c3N4C(CCC(O)=O)=O)cccc3)C4c(cccc5[N+](=O)[O-])c5,0.0
74864,CO-ADD:0321072,-6.68,C(C(OC)=O)(=CN(CCOC(C1)(C2)CC(CC2C3)CC13)C=C4C(OC)=O)C4c5cccc(Cl)c5Cl,0.0
74865,CO-ADD:0324019,-6.68,C1(C(NCCOC(C2)(C3)CC(C4)CC2CC34)=O)=Cc5c(OC1=O)cccc5,0.0
74866,CO-ADD:0323117,-6.68,N1(CC)C(=O)C(N(CCC(C2)(CC(CC23)CC4C3)C4)C1=S)CC(=O)Nc(cc5)ccc5OCCC,0.0
74867,CO-ADD:0323691,-6.68,c1(cccnc1N)C(OC)=O,0.0
74868,CO-ADD:0323896,-6.69,C(F)(F)(F)c(cc1)ccc1C(=O)Nc2ccccc2\N=C/c(ccc(c3OCC)OCC)c3,0.0
74869,CO-ADD:0320839,-6.69,S(c1ccccc1)(=O)(=O)N2CCCC2C(=O)NC(CC(CC34)CC5C3)(C4)C5,0.0
74870,CO-ADD:0301658,-6.69,C(C(OCC)=O)(C1c2cccc(OC)c2OC)=C(c3ccccc3)N=C4N1C(=O)CS4,0.0
74871,CO-ADD:0304302,-6.69,c1(cnn2CN3CCCOC3)c2cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
74872,CO-ADD:0302932,-6.69,N1(c2ccc(c(Cl)c2)N(CC3)CCO3)C(c4ccc(cc4)OCc(cc5)ccc5Cl)N(N=C1C(C)=O)c6ccccc6,0.0
74873,CO-ADD:0304303,-6.69,C(CNc(cc1)ccc1OC(F)(F)Cl)(CNC(c2ccccc2)=O)([N+](=O)[O-])[N+](=O)[O-],0.0
74874,CO-ADD:0302520,-6.69,c12c(ccc(N)c1)c3c(cccc3)o2,0.0
74875,CO-ADD:0304355,-6.69,c1([N+](=O)[O-])c(N)n(cn1)CCO,0.0
74876,CO-ADD:0304733,-6.69,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)Nc2cc(on2)C,0.0
74877,CO-ADD:0305253,-6.69,S(=O)(=O)(c(cc1)ccc1C(=O)N2CCCCC2C)N3CCCCC3C,0.0
74878,CO-ADD:0304833,-6.69,N(CC(COc1ccccc1)OC2c3ccccc3O)(C(c4ccccc4)=O)O2,0.0
74879,CO-ADD:0305105,-6.69,[N+](=O)([O-])c(ccc(c1c2)[nH]n2)c1,0.0
74880,CO-ADD:0305052,-6.7,c1(C2c(cc3OCC)cc(c3O)Br)c([nH]nc1c(ccc(c45)OCO4)c5)OC(N)=C2C#N.[Na+],0.0
74881,CO-ADD:0304439,-6.7,n1(nc(n2)CC(O)=O)c2NC(C)=C(Oc3ccccc3)C1=O,0.0
74882,CO-ADD:0303460,-6.7,C(=S)(NC1CCCCC1)NNC(=O)c2cccc(OC)c2,0.0
74883,CO-ADD:0303093,-6.7,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])\C=N\N(C)C,0.0
74884,CO-ADD:0303670,-6.7,N1(c2ccc(cc2)OC(C)C)CC(CC1=O)C(=O)Nc(cc3)ccc3C,0.0
74885,CO-ADD:0302830,-6.7,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)Nc(cc3)ccc3OC(F)(F)F,0.0
74886,CO-ADD:0302773,-6.7,n1(c(cc2)cc(c23)COC3=O)nnnc1S,0.0
74887,CO-ADD:0301792,-6.7,[N+](=O)([O-])c1ccc(c(O)c1)Nc2nc(C)cc(C)n2,0.0
74888,CO-ADD:0302954,-6.7,C1(c2ccccc2)=NC(Nc(ccc(Cl)c3)c13)=O,0.0
74889,CO-ADD:0303009,-6.7,C1(C(=O)c(c2C1=O)cccc2)(Nc3c(C)non3)Nc4c(C)non4,0.0
74890,CO-ADD:0303928,-6.7,C(C(OCC)=O)(=CN(c1ccc(c(C)c1)C)C=C2C(OCC)=O)C2c3ccc(c(Br)c3)OC,0.0
74891,CO-ADD:0301812,-6.7,c1(NC(COc(cc2)ccc2Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
74892,CO-ADD:0302581,-6.7,[N+](=O)([O-])c(cccc1\C=C(\c(cc2)ccc2[N+](=O)[O-])/C#N)c1,0.0
74893,CO-ADD:0303776,-6.7,c(C#N)(c1c2ccc(cc2)O)c(SCc3ccccc3)nc(N)c1C#N,0.0
74894,CO-ADD:0306835,-6.7,C(C(OCCc1ccccc1)=O)(C2c(cc3)ccc3C(OC)=O)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
74895,CO-ADD:0307444,-6.7,C(=O)(NC(=O)NCc(cc1)ccc1Cl)c2c(C)cc(nc2Cl)Cl,0.0
74896,CO-ADD:0311454,-6.7,C(F)(F)(C(F)F)C(NCCN=C1c2ccccc2)=C1,0.0
74897,CO-ADD:0312305,-6.7,c12c(c(ccc1)CC3)c3ccc2C(=O)NCc(ccc(c45)OCO4)c5,0.0
74898,CO-ADD:0307520,-6.71,C1(C(OC)=O)(C(OC)=O)C(C1(CC)C(c2ccccc2)=O)c3ccc(c(OC)c3)OC,0.0
74899,CO-ADD:0311469,-6.71,c1(c2ccccc2Cl)nnn(CC(=O)Nc(cc3)ccc3OC(F)(F)F)n1,0.0
74900,CO-ADD:0305826,-6.71,c1(NC(=O)C(C)Oc(ccc(c2C)C)c2)sc(c3c1C(N)=O)CCCC3,0.0
74901,CO-ADD:0305428,-6.71,C1(C2c(cc3OCC)cc(c3OC)Br)=C(CC(C)(C)CC1=O)N(C(CC(C)(C)CC4=O)=C24)C,0.0
74902,CO-ADD:0311850,-6.71,C1(C(O)=O)(CC1)S(=O)(=O)c2ccc(c(Cl)c2)Cl,0.0
74903,CO-ADD:0307238,-6.71,c12c(n(c(N3CCCCC3)n1)CCC\N=C/N(C)C)C(N(C)C(=O)N2C)=O.Cl,0.0
74904,CO-ADD:0307490,-6.71,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cc(Br)ccc3OC,0.0
74905,CO-ADD:0311323,-6.71,n1(c2c(nn1)cccc2)S(=O)(=O)c3ccc(c(C)c3)OC,0.0
74906,CO-ADD:0311322,-6.71,n1(c2c(nn1)cccc2)S(=O)(=O)c3ccc(c(OC)c3)Cl,0.0
74907,CO-ADD:0311986,-6.71,S(=O)(=O)(c1ccc(cc1)OC)NNC(=O)C(O)(c2ccc(cc2)Cl)c3ccc(cc3)Cl,0.0
74908,CO-ADD:0311154,-6.71,n12c(ncc3c1CC(C)(C)CC3=O)c(c(C)n2)c4ccccc4,0.0
74909,CO-ADD:0311846,-6.71,C1(C#N)(CC(N2)(N)C(C(c3ccc(cc3)OC)C1(C#N)C#N)CCC)C2=O,0.0
74910,CO-ADD:0310771,-6.71,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(c(Br)c5)F)cccc4,0.0
74911,CO-ADD:0320374,-6.71,[nH](c(ccc(c1)OC)c1c2CCNC(=O)c3ccc(cc3)F)c2C,0.0
74912,CO-ADD:0320527,-6.71,C1(C)(C(C)(C)OC2=O)N2CCc(c([nH]3)C)c(c3ccc4)c14,0.0
74913,CO-ADD:0320335,-6.71,c1(OC(N)=C(C2c3c(C)c([nH]c3C)C#N)C#N)c2c(nn1c4ccccc4)C,0.0
74914,CO-ADD:0323160,-6.71,c1(C2OCCS2)c3c(n(c4ccccc4)n1)cc(cc3Sc5ccccc5)[N+](=O)[O-],0.0
74915,CO-ADD:0323192,-6.72,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CCC(C3)(CC(C4)CC5CC34)C5)C(C)=O)C1=O,0.0
74916,CO-ADD:0320861,-6.72,N1(c2ccc(cc2)OC)C(=O)C(N(Cc(cc3)ccc3OC)C1=S)CC(=O)Nc(cc4)ccc4OC(F)(F)Cl,0.0
74917,CO-ADD:0320710,-6.72,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)N(C)C)cccc3,0.0
74918,CO-ADD:0320846,-6.72,N1(c(cccc2C(F)(F)F)c2)C(=O)NC(\C(=C/c(ccc(c3)N(CC)CC)c3O)\C1=O)=O,0.0
74919,CO-ADD:0323357,-6.72,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(cc5)ccc5C(NC)=O)c2,0.0
74920,CO-ADD:0323543,-6.72,n12c(ccc(cccc3)c13)nnc2c(cccc4[N+](=O)[O-])c4,0.0
74921,CO-ADD:0324783,-6.72,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)Nc(cc7)ccc7OC(F)(F)Cl,0.0
74922,CO-ADD:0324481,-6.72,C1(C(=O)CSc2nc(N)c(c(C(C)C)c2C#N)C#N)=Cc3c(OC1=O)cccc3,0.0
74923,CO-ADD:0324777,-6.72,c(n(ccn1)c1)(nc(Nc(cc2)ccc2OC(F)(F)Cl)nc3n(ccn4)c4)n3,0.0
74924,CO-ADD:0321551,-6.72,C1(COc(c2O1)cccc2)C(NCCO)=O,0.0
74925,CO-ADD:0320893,-6.72,C1(C2c(cccn3)c3)=C(CC(c(cc4)ccc4C(C)(C)C)CC1=O)Nc(c5N2C(=O)\C=C\c6ccccc6)cccc5,0.0
74926,CO-ADD:0320319,-6.72,C(=O)(OCC1CCCN2C1CCCC2)Nc3ccccc3F,0.0
74927,CO-ADD:0320108,-6.72,n(c1ccccc1)(c2C)nc(c2C(O)=O)C,0.0
74928,CO-ADD:0320069,-6.72,S(=O)(=O)(Cc1ccccc1)c2cc(ccc2C#N)N=[N+]=[N-],0.0
74929,CO-ADD:0319830,-6.72,n1(c2ccccc2)nnnc1SCC(NCCc3ccccc3)=O,0.0
74930,CO-ADD:0319758,-6.72,C(=CNC=C1C(OC)=O)(C(OC)=O)C1c2ccc(cc2)SC,0.0
74931,CO-ADD:0319720,-6.72,c1(cc(Cl)ccc1NC(CSc2nc(cc(O)n2)C(F)(F)F)=O)C(c3ccccc3)=O,0.0
74932,CO-ADD:0318851,-6.73,C(Nc(cc1)ccc1OC(F)(F)F)(C(OC)=O)(C(F)(F)F)NC(=O)c2cccc(C)c2,0.0
74933,CO-ADD:0318860,-6.73,c1(C2c(cc3OC)cc(c3OCC)OC)c([nH]nc1c(ccc(c45)OCO4)c5)OC(N)=C2C#N,0.0
74934,CO-ADD:0319459,-6.73,C1(=O)N(c2ccc(cc2)C)C(C)=CC(C)=C1C(N)=O,0.0
74935,CO-ADD:0301683,-6.73,C(=O)(N1CCC(CC1)Cc2ccccc2)c3ccccc3NC(=O)c4ccc(cc4)C,0.0
74936,CO-ADD:0303033,-6.73,n1(C)cnnc1SCC(=O)c2ccc(cc2)OC,0.0
74937,CO-ADD:0301978,-6.73,c1(C(OCC)=O)c2c(oc1COc(cc3)ccc3OC)ccc(OC)c2,0.0
74938,CO-ADD:0302465,-6.73,c1([N+](=O)[O-])c(N(C)C)n(cn1)C,0.0
74939,CO-ADD:0303175,-6.73,c1(ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N2CCCCC2,0.0
74940,CO-ADD:0302365,-6.73,c1(CC(=O)Nc2ccccc2Cl)c(Sc3ccccc3)c4c(cccc4)n1Cc5ccccc5,0.0
74941,CO-ADD:0300336,-6.73,N1(c2ccc(cc2)OC)CC(CC1=O)C(=O)Nc3ccccc3C(OC)=O,0.0
74942,CO-ADD:0300344,-6.74,n1c(c2ccccc2)cc(O)n1c(cc3)ccc3[N+](=O)[O-],0.0
74943,CO-ADD:0300297,-6.74,N(C)(C(=O)C(Cc(ccc(c1OC)OC)c1OC)C(N2C)=O)C2=O,0.0
74944,CO-ADD:0300993,-6.74,C(=O)(Nc(cc1C)cc(c1OCC(=O)N(CC2)CCO2)C)c3cccs3,0.0
74945,CO-ADD:0300548,-6.74,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(cc5)C)cccc4,0.0
74946,CO-ADD:0300692,-6.74,C1(C#N)=C(N)OC(=C2C1c(cc3)cc(c3OC(=O)c4cccs4)OC)CCCC2=O,0.0
74947,CO-ADD:0300427,-6.74,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3C(=O)c4ccccc4F)C1=O,0.0
74948,CO-ADD:0304398,-6.74,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3cc(Cl)cc(Cl)c3OC(=O)N(CC4)CCO4,0.0
74949,CO-ADD:0303579,-6.74,N(C(CSCCc1ccccn1)=O)c2ccccc2Br,0.0
74950,CO-ADD:0304154,-6.74,C(C(OC)=O)(=CN(Cc(cc1)ccc1Cl)C=C2C(OC)=O)C2c(cc3OC)cc(c3OC)OC,0.0
74951,CO-ADD:0303582,-6.75,c1(N(CC2)CCO2)nc(NCCCC)nc(Nc(cc3)ccc3Cl)n1,0.0
74952,CO-ADD:0301718,-6.75,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(ccc(c3OC)OCCSCC(OCC)=O)c3)\C1=O)=O,0.0
74953,CO-ADD:0302608,-6.75,C1(=C(c2c(cccc2)CC1(C)C)N=C(N3c4ccccc4)NCCO)C3=O,0.0
74954,CO-ADD:0301846,-6.75,C1(=COc(c2C1=O)cccc2)C3C4=C(CCCC4=O)NC(C)=C3C(OCC)=O,0.0
74955,CO-ADD:0303929,-6.75,C(C(OC)=O)(=CN(Cc(cc1)ccc1C)C=C2C(OC)=O)C2c(ccc(c34)OCO3)c4,0.0
74956,CO-ADD:0303674,-6.75,N(C1c2ccc(cc2)Cl)C(=O)NC(=O)N1,0.0
74957,CO-ADD:0301796,-6.75,c1(Oc2ccc(cc2Br)Br)nc(C)cc(C)n1,0.0
74958,CO-ADD:0303313,-6.75,C1(C#N)=C(SCc2cccc(cccc3)c23)NC(=O)CC1c4ccccc4C,0.0
74959,CO-ADD:0301485,-6.76,C1(=NC(Cc(cc(OC)c(OC)c2)c12)(C)C)C3=NC(Cc(cccc4)c34)(C)C,0.0
74960,CO-ADD:0311339,-6.76,c1(c2ccc(cc2)NC(=O)C3CC(C)=CCC3C(O)=O)sc4c(ccc(C)c4)n1,0.0
74961,CO-ADD:0312372,-6.76,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c5cc(Br)ccc5OC,0.0
74962,CO-ADD:0311373,-6.76,c1(NC(=S)NC(=O)c2cccc(Cl)c2)sc(c3c1C#N)CCCC3,0.0
74963,CO-ADD:0311752,-6.76,c1(Nc(cc2)ccc2OC(F)(F)F)nc(NCCO)nc(OCC(F)(F)F)n1,0.0
74964,CO-ADD:0305628,-6.76,C(C#N)(C(c1ccc(cc1)C)CC(N2)=O)=C2SCC(=O)Nc3cc(Cl)cc(Cl)c3,0.0
74965,CO-ADD:0305604,-6.76,c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])c1NC(=O)OC(C)(C)C#C,0.0
74966,CO-ADD:0311739,-6.76,c1(nnnn1CC(=O)Nc2cccc(cccc3)c23)c4nonc4N,0.0
74967,CO-ADD:0306159,-6.76,N1(c2c(OC)ccc(OC)c2)C(=S)SC(C(OCC)=O)=C1N,0.0
74968,CO-ADD:0306127,-6.76,c(C(=O)C12CC3CC(CC(C3)C1)C2)(c(N)c(c4Nc5ccccc5)C#N)s4,0.0
74969,CO-ADD:0306807,-6.76,C1(C(OCCOC)=O)=C(C)NC(=C2C1c3c(Cl)ccc(c3)[N+](=O)[O-])CCCC2=O,0.0
74970,CO-ADD:0310858,-6.76,[N+](=O)([O-])c1c(Cl)ccc(c1)c2nnc(c3ccccc3)o2,0.0
74971,CO-ADD:0312088,-6.76,C12=C(C=C(C)NC1=O)\C(\OC2=O)=C/c(ccc(c3OC)OCC)c3,0.0
74972,CO-ADD:0310947,-6.76,C1(C2c3ccc(cc3)Cl)=C(CC(c(cccc4[N+](=O)[O-])c4)CC1=O)Nc(c5N2C(CC)=O)cccc5,0.0
74973,CO-ADD:0311413,-6.76,n1(c2ccccc2OC)cc(c(c3)n1)ccc3[N+](=O)[O-],0.0
74974,CO-ADD:0307282,-6.76,n1(Cc2ccccc2)c3c(c(CCNC(CCC(O)=O)=O)c1C)cccc3,0.0
74975,CO-ADD:0311599,-6.76,C1(=S)N(Cc(ccc(c2OC)OC)c2)C(C(=O)N1c3ccccc3)CC(=O)Nc(cc4)ccc4C(OC)=O,0.0
74976,CO-ADD:0306162,-6.76,C([C@@H](C)C)(C(SC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C1)CC[C@H]1C,0.0
74977,CO-ADD:0306138,-6.76,N(c1ccc(cc1)C)(C(c(cccc2[N+](=O)[O-])c2)C=C3Nc(cc4)ccc4C)C3=O,0.0
74978,CO-ADD:0320903,-6.76,N1(c2ccccc2)C(=O)C(C3C1=O)C(C)(CC4=O)CC34C,0.0
74979,CO-ADD:0320943,-6.76,c1(ccccc1NC(=O)c2ccc(cc2)Br)C(NCCN(CC3)CCO3)=O,0.0
74980,CO-ADD:0324269,-6.76,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C\NN(CC3)CCN3C,0.0
74981,CO-ADD:0323821,-6.77,n1c(N2CCCCC2)nc(nc1N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)Nc(cc7)ccc7OC(F)(F)F,0.0
74982,CO-ADD:0323855,-6.77,S(=O)(=O)(c1ccc(c(OC)c1)Cl)N(CC2)CCN2C34CC(CC5C3)CC(C5)C4,0.0
74983,CO-ADD:0323320,-6.77,C1(C(F)(F)F)=CC(=O)NC(SCC(=O)Nc(cc2)ccc2c3sc4c(ccc(C)c4)n3)=N1,0.0
74984,CO-ADD:0319263,-6.77,c1(c2c(cs1)CCCC2)C(=O)Nc3cccc(O)c3,0.0
74985,CO-ADD:0319279,-6.77,C(NCCOc1ccccc1Cl)(=O)c2ccc(cc2)OCCCC,0.0
74986,CO-ADD:0319265,-6.77,c1(SCC(=O)Nc(cc2)ccc2Br)nnc[nH]1,0.0
74987,CO-ADD:0321546,-6.77,N1(C(C)(C)CC(CC1(C)C)OC(C)=O)OC(c2ccccc2)=O,0.0
74988,CO-ADD:0320808,-6.77,C1(Nc(cc2)ccc2OC(F)(F)F)OC(CO)C(C(O)C1O)O,0.0
74989,CO-ADD:0320086,-6.77,c12c(CCNC1c3ccc(cc3F)F)cc(c(OCC)c2)OCC,0.0
74990,CO-ADD:0320686,-6.77,S(NCCc(c1c([nH]2)cccc1)c2C)(=O)(=O)c3ccc(cc3)OC,0.0
74991,CO-ADD:0319767,-6.77,C12(C(=O)Nc(ccc(C)c3Br)c13)C(C#N)=C(N)Oc([nH]nc4c(ccc(c56)OCO5)c6)c24,0.0
74992,CO-ADD:0319735,-6.78,c1(N(CC2)CCO2)nc(Cn3nnc(c4ccc(c(OC)c4)OC)n3)nc(N)n1,0.0
74993,CO-ADD:0319657,-6.78,N1(CC2N(CCc(cccc3)c23)C1c(c4)c(c5ccc(cc5)F)nn4S(c6ccccc6)(=O)=O)S(c7ccccc7)(=O)=O,0.0
74994,CO-ADD:0303635,-6.78,n1c(c2ccc(cc2)C)onc1c3ccccc3,0.0
74995,CO-ADD:0304136,-6.78,c1(OCc(cc2)ccc2Cl)c(I)cc(cc1I)C=O,0.0
74996,CO-ADD:0304166,-6.78,N1(c2ccc(cc2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4ccc(cc4[N+](=O)[O-])OC,0.0
74997,CO-ADD:0304173,-6.78,N1(C(CCSC)C(=O)N2CCCCC2)C(=O)c(c3C1=O)cc(c(Cl)c3)Cl,0.0
74998,CO-ADD:0301282,-6.78,c1(SCCOc2ccccc2OC)nc(c3n1CC(N)=O)cccc3,0.0
74999,CO-ADD:0301771,-6.78,[N+](=O)([O-])\C=C\c(cc1)ccc1N(C)C,0.0
75000,CO-ADD:0300513,-6.78,[N+](=O)([O-])c1c(NCCNC(=O)c2cccs2)ccc(c1)C(F)(F)F,0.0
75001,CO-ADD:0300299,-6.78,N(C)(C(=O)C(Cc(cc1)ccc1OC(C)C)C(N2C)=O)C2=O,0.0
75002,CO-ADD:0300387,-6.78,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc(cc2)ccc2NC(=O)C(O)=O,0.0
75003,CO-ADD:0300852,-6.78,S(=O)(=O)(Cc1ccccc1)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC4CC4,0.0
75004,CO-ADD:0300892,-6.78,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC(C)CCc4ccccc4,0.0
75005,CO-ADD:0300652,-6.78,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5OC)cc(c5OC)Br)cccc4,0.0
75006,CO-ADD:0300435,-6.78,N1(c2ccc(cc2)Cl)C(=O)C(N(Cc3cccs3)C1=S)CC(=O)Nc(cc4)ccc4F,0.0
75007,CO-ADD:0305084,-6.79,c1(Nc(cc2)ccc2OC(Cl)(F)F)nc(NCC(OCC)=O)nc(NCC(OCC)=O)n1,0.0
75008,CO-ADD:0304565,-6.79,C1(C(OC)=O)=C(C)N(C(=O)NC1c2cc(F)ccc2F)C,0.0
75009,CO-ADD:0305014,-6.79,c12c([nH]nc1c3ccc(cc3Cl)Cl)OC(N)=C(C#N)C2c4cc5c(cc4Br)OCO5,0.0
75010,CO-ADD:0303625,-6.79,N1(Cc(cc2)ccc2F)C(=O)\C(=C\Nc(cccc3N(C)C)c3)\C(NC1=O)=O,0.0
75011,CO-ADD:0301250,-6.79,C1(=S)N(Nc2c(F)c(F)c(c(F)c2F)F)C(C(=O)N1c(cc3)ccc3C(OCC)=O)CC(=O)Nc(cc4)ccc4OC,0.0
75012,CO-ADD:0304278,-6.79,N1(N=CC(=C(Cl)C1=O)Cl)C23CC4CC(CC(C4)C2)C3,0.0
75013,CO-ADD:0302522,-6.79,c1(C(OCC)=O)c(C)c(c(C)[nH]1)CCC(OC)=O,0.0
75014,CO-ADD:0304283,-6.79,n(c(ccc(c12)cccc1)c23)c(c(cc4)ccc4N(C)C)c(c35)CCC5.Cl.Cl,0.0
75015,CO-ADD:0302397,-6.79,C1(C(NC)=O)=CC(NC1(C)C)(C)C,0.0
75016,CO-ADD:0302362,-6.79,S(=O)(=O)(c(cc1)ccc1C(C)=O)N(CC2)CCN2Cc3ccccc3,0.0
75017,CO-ADD:0304377,-6.79,C1(=O)Oc(c(cc(c2OC(=O)Oc3ccccc3)Br)S1)c2,0.0
75018,CO-ADD:0303662,-6.79,N1(CC(CC1=O)C(=O)Nc2ccc(cc2Cl)Cl)c3cccc(C)c3C,0.0
75019,CO-ADD:0301788,-6.8,C1(=O)N(CCCCCCOc(cccc2[N+](=O)[O-])c2)C(C)=CC(=O)N1C,0.0
75020,CO-ADD:0301435,-6.8,C1(c2cccc(cccc3)c23)C(=CNC=C1C(OC)=O)C(OC)=O,0.0
75021,CO-ADD:0306061,-6.8,N1C(=O)C(C#N)C(C([n+]2ccccc2)C1=O)c3ccc(cc3)C.[Cl-],0.0
75022,CO-ADD:0312142,-6.8,n1c(c2ccc(c(OC)c2)OCC(NCCc3ccccc3)=O)[nH]c(c4ccccc4)c1c5ccccc5,0.0
75023,CO-ADD:0305566,-6.8,n1(c(cc2)ccc2C(O)=O)nnnc1SCC(=O)Nc3cccc(O)c3,0.0
75024,CO-ADD:0306750,-6.8,C(C(=O)OCC(C)C)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cc(OC)c(cc3OC)OC,0.0
75025,CO-ADD:0310798,-6.8,N1(c(cc2)ccc2S(O)(=O)=O)N=C(CC1=O)C,0.0
75026,CO-ADD:0311796,-6.8,C(=O)(N1CCCC1)c2c(cccc2F)F,0.0
75027,CO-ADD:0305946,-6.8,c1(NC(=O)c2cccs2)sc(c(C)c1C(OC)=O)C,0.0
75028,CO-ADD:0305910,-6.8,c1(NC(=O)c2ccc(cc2)C)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
75029,CO-ADD:0306306,-6.8,N1(C(c2ccccc2)CC(C)=N1)C(C#N)c3cccc(OC)c3O,0.0
75030,CO-ADD:0305971,-6.8,N(c1c(cccc1)C=C2)(C(C(=O)c3cccs3)C(C4[N+](=O)[O-])c5ccccc5)C24,0.0
75031,CO-ADD:0305963,-6.8,C1(=Cc2c(OC1=O)cccc2)c3csc(CC(N)=S)n3,0.0
75032,CO-ADD:0305989,-6.8,C(=O)(c1ccc(cc1)NC(=O)CC(=O)Nc(cc2)ccc2C(=O)NC3CCCCC3)NC4CCCCC4,0.0
75033,CO-ADD:0306175,-6.8,c1(noc(c2ccccc2OCC)n1)c3nonc3N,0.0
75034,CO-ADD:0310772,-6.8,C(C(OCCOCCC)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
75035,CO-ADD:0311385,-6.8,N1(C(=O)c2ccc(cc2)OC)C(=S)N=C(C=CC(Cl)=C3)N13,0.0
75036,CO-ADD:0311235,-6.8,N1(c(cc2)ccc2S(N)(=O)=O)C(=O)C(CC3)C(C3(C)C1=O)(C)C,0.0
75037,CO-ADD:0311792,-6.8,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccccc3Br)N4CCCC4)[N+](=O)[O-],0.0
75038,CO-ADD:0306113,-6.8,N(CC1)(CCN1c2ccc(cc2F)C(CC)=O)C(C)=O,0.0
75039,CO-ADD:0324519,-6.81,C1(=O)N(c2ccc(cc2)OC(F)(F)F)Cc(ccc(OC)c3OC)c13,0.0
75040,CO-ADD:0324664,-6.81,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c3c(C)cc(c(C)c3)OC,0.0
75041,CO-ADD:0324520,-6.81,c12c(ccc(OC)c1OC)C(OC2=O)Nc3sc4c(ccc(c4)OC(F)(F)F)n3,0.0
75042,CO-ADD:0324673,-6.81,c(Oc(cc1)ccc1N)(cc(N)cc2Oc3ccccc3)c2,0.0
75043,CO-ADD:0323264,-6.81,n1c(N)n[nH]c1CC(=O)N(C)C2(CCCCC2)C(=O)Nc3ccccc3,0.0
75044,CO-ADD:0324775,-6.81,c1(c2c(cs1)CCCC2)C(=O)Nc(cc3)ccc3c4ccccc4,0.0
75045,CO-ADD:0323638,-6.81,C(/Nc(cc1)ccc1OC(F)(F)F)(\C(O)=O)=C/C(c2ccccc2)=O,0.0
75046,CO-ADD:0323918,-6.81,c12c(ccc(C(=O)Nc3cccc(Cl)c3)c1SCCO)C(=O)c(c4C2=O)cccc4,0.0
75047,CO-ADD:0319799,-6.81,c1(c2c(sc1NC(COc3cccc(Br)c3)=O)CCCC2)C(=O)OC(C)C,0.0
75048,CO-ADD:0324061,-6.81,c1(nonc1N)\C(\N)=N\N=C\c(cc2OCC)cc(c2O)Br,0.0
75049,CO-ADD:0301730,-6.81,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C\c(cc3OC)cc(c3OCCOc4ccccc4CC=C)Br)\C1=O)=O,0.0
75050,CO-ADD:0301722,-6.81,C(=C\c(ccc(c1OC)OCCOc(cc2)ccc2C(C)(C)C)c1)(/C(=O)NC(N3)=S)\C3=O,0.0
75051,CO-ADD:0302642,-6.81,c1(c(cccc1[N+](=O)[O-])C(O)=O)C(=O)Nc(cc2)ccc2C(O)=O,0.0
75052,CO-ADD:0302627,-6.81,N1(c2cccc(OC)c2)C(\C=C\c3ccccc3)=Nc(c4C1=O)cccc4,0.0
75053,CO-ADD:0301234,-6.81,C(C(=O)OCc(cc1)ccc1OC)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccs4,0.0
75054,CO-ADD:0301774,-6.81,C1(NC(=O)\C(\C#N)=C\c(ccc2c3ccc(cc3)Cl)o2)=C(C)N(N(c4ccccc4)C1=O)C,0.0
75055,CO-ADD:0300340,-6.81,N1=C(c2ccc(cc2)C)C=CC(=O)N1c3ccccc3,0.0
75057,CO-ADD:0305000,-6.82,C(F)(F)(F)c(cc1)ccc1C(=O)Nc(cc2)ccc2F,0.0
75058,CO-ADD:0305056,-6.82,c1(C2c3cc4c(cc3Br)OCO4)c([nH]nc1c5ccc(c(Cl)c5)Cl)OC(N)=C2C#N,0.0
75059,CO-ADD:0304584,-6.82,n1(C)c(SCc(cc2)ccc2Cl)nnc1c3ccco3,0.0
75060,CO-ADD:0300716,-6.82,P(c1ccc(cc1)C)(c2ccc(cc2)C)(=[Se])\C(\C(C)(C)C)=C/Sc3[nH]c(c4n3)cccc4,0.0
75061,CO-ADD:0301212,-6.82,N1(CC2(C)CC2(Cl)Cl)C(=O)NC(c3ccccc3)(c4ccccc4)C1=O,0.0
75062,CO-ADD:0302174,-6.82,C(=O)(Oc(cc1)ccc1C=O)c2cccs2,0.0
75063,CO-ADD:0303914,-6.82,C1(C(OC)=O)=C(C)NC(CC1c(cc(OC)c(c2OC)OC)c2Br)=O,0.0
75064,CO-ADD:0303998,-6.82,c12c(C(N(C)C(=O)N1C)=O)n(c(Cl)n2)Cc(cc3)ccc3Cl,0.0
75065,CO-ADD:0302482,-6.82,c1(c(ccc(c1)[N+](=O)[O-])OCc2c(cccc2Cl)Cl)C3SCC(C(O)=O)N3,0.0
75066,CO-ADD:0304095,-6.82,C(C(c1ccccc1)=O)(C2c3ccc(cc3)O)=C(O)C(N2Cc(cccn4)c4)=O,0.0
75067,CO-ADD:0304030,-6.82,c1(SC(C)C(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc4ccccc4)c2)nnc(COc(cc5)ccc5C6CCCCC6)n1c7ccccc7,0.0
75068,CO-ADD:0301782,-6.82,S(C)(=O)(=O)N(CC1)CCN1.Cl,0.0
75069,CO-ADD:0301934,-6.82,N(CCS1)(C2=O)C1=NC(c3ccc(cc3)OCC)=C2C#N,0.0
75070,CO-ADD:0301470,-6.82,c(NC(=O)c1ccc(c(OC)c1)OC)(s2)c(C(OCC)=O)c(c2C(=O)N3CCCCC3)C,0.0
75071,CO-ADD:0301415,-6.82,c1(C2)c(cnc(ccc(cccc3)c34)c14)\C(\CC2(C)C)=N/O,0.0
75072,CO-ADD:0301409,-6.82,C1(C(OCC)=O)=C(Nc(ccc(c23)cccc2)c3)\C(\CC1)=C\c(ccc(c4OC)OC)c4,0.0
75073,CO-ADD:0304297,-6.83,N1(c2c(cccc2)N=C(c3ccccc3)CC1c4ccccc4)C(=O)c5ccc(cc5)C,0.0
75074,CO-ADD:0310760,-6.83,C(C(OCCOCCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cc4c(cc3Br)OCO4,0.0
75075,CO-ADD:0312151,-6.83,c12c(nnc(SCC(=O)Nc(cc3)ccc3F)n1)c4c(cccc4)n2C,0.0
75076,CO-ADD:0307334,-6.83,N1C(=O)C=C(N=C1SCC(=O)Nc2cccc(F)c2)C,0.0
75077,CO-ADD:0307162,-6.83,n1c(c2ccc(cc2)F)nnn1CC(=O)N\N=C\c(cc3)ccc3OCc4ccccc4F,0.0
75078,CO-ADD:0306050,-6.83,O=Cc(cc1)ccc1OCc2cccc(F)c2,0.0
75079,CO-ADD:0306255,-6.83,C(C(OCCOC(C)C)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c(cc3OC)cc(c3O)Br,0.0
75080,CO-ADD:0312555,-6.83,c(ccc1c2C(=O)N(CC)C(C(Cc(occ3)c3[C@H]4C(O)=O)C4C5=O)N15)c2,0.0
75081,CO-ADD:0312634,-6.83,c(cc1c(C(C(CC(=O)N(C\C=C\c2ccccc2)c3ccc(OC)cc3)C(=O)O)C4C(C1C(=O)O)C(=O)N(c5ccc(OC)cc5)C4)c6)c6,0.0
75082,CO-ADD:0312468,-6.83,[C@@H]1([C@H]2C(=O)O)O[C@@]3(C=C1)[C@@H]2C(N(C3)c4ccccc4)=O,0.0
75083,CO-ADD:0312564,-6.83,C1=C[C@]2(O[C@H]13)[C@]([C@@](CN(C2)C(C(F)(F)F)=O)(C(C(OC)=O)=C4C(OC)=O)O[C@@H]45)([C@@]35[H])[H],0.0
75084,CO-ADD:0312580,-6.83,C1=C[C@@]2([C@]([C@]34[H])([H])[C@@]5(O[C@H]3C(C56)C(OC6=O)=O)CN(C(c7ccccc7)=O)C2)O[C@H]14,0.0
75085,CO-ADD:0306269,-6.83,c(NC(=O)c(cc1OC)cc(c1OC)OC)(s2)c(C(OCC)=O)c(c2C(=O)N(CC)CC)C,0.0
75086,CO-ADD:0306860,-6.83,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)C)c5cccc(OC)c5,0.0
75087,CO-ADD:0311184,-6.83,[B-]123[N+](CCO1)(CCO2)CC(COc(cc4)ccc4OC)O3,0.0
75088,CO-ADD:0307503,-6.83,C(C(OC)=O)(C1c2ccc(cc2)Cl)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
75089,CO-ADD:0324430,-6.83,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(=O)Nc(cc3)ccc3OC(F)(F)F)n2)Cc4cccc(Cl)c4,0.0
75090,CO-ADD:0320604,-6.83,n1(c2ccccc2)c(SCc(cccc3C(OC)=O)c3)nnc1c4ccco4,0.0
75091,CO-ADD:0319741,-6.84,n1c(c(ccc(c23)OCO2)c3)nnn1CC(=O)Nc(cc4)ccc4OC(F)(F)F,0.0
75092,CO-ADD:0321238,-6.84,C12(OCCO1)C(Cl)C(C(Cl)=C2OC)=O,0.0
75093,CO-ADD:0321526,-6.84,S(=O)(=O)(c1ccc(cc1)C)OC(CC2(C)C)CC(N2OC(C)=O)(C)C,0.0
75094,CO-ADD:0319238,-6.84,P(=O)(N(C)C)(Nc(cc1)ccc1Cl)Nc(cc2)ccc2Cl,0.0
75095,CO-ADD:0321223,-6.84,c1(C2c3ccccc3C(O)=O)c([nH]nc1c4cccs4)OC(N)=C2C#N,0.0
75096,CO-ADD:0321288,-6.84,N1(C(Cc2ccccc2)C(=O)Nc3ccccc3C(O)=O)C(=O)c(c4C1=O)cccc4,0.0
75097,CO-ADD:0321264,-6.84,[N+](=O)([O-])c(cc(SCCO)cc1NC(Cc(cc2)ccc2F)=O)c1,0.0
75098,CO-ADD:0324434,-6.84,c12c(n(c(SCC(NCCc3ccccc3)=O)n1)CC)C(N(C)C(=O)N2C)=O,0.0
75099,CO-ADD:0324819,-6.84,C(C(N)=O)(=CC(N1OC(=O)c2ccco2)(C)C)C1(C)C,0.0
75100,CO-ADD:0324831,-6.84,c1(SC(C)CN(C)C)nc(C)cc(N)n1,0.0
75101,CO-ADD:0320455,-6.84,n1(N)c(Cc(ccc(c2OCC)OCC)c2)nnc1Cc(ccc(c3OCC)OCC)c3,0.0
75102,CO-ADD:0319172,-6.85,N1(C(C)(C)CC(CC1(C)C)NC(=O)C(F)(F)F)OC(=O)c2ccco2,0.0
75103,CO-ADD:0319453,-6.85,c1(N(CC2)CCO2)nc(OC)nc(N=[N+]=[N-])n1,0.0
75104,CO-ADD:0302695,-6.85,C1(=C(C)NC(NC1c2ccc(c(OC)c2)O)=S)C(=O)Nc3ccccc3,0.0
75105,CO-ADD:0302831,-6.85,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)Nc(cc3)ccc3OC(F)(F)Cl,0.0
75106,CO-ADD:0304084,-6.85,c1(\C=C\C(O)=O)n(C)c2c(cccc2)n1,0.0
75107,CO-ADD:0302137,-6.85,N1(c2ccc(cc2C)OC(C)=O)C(=O)c3c(cccn3)C1=O,0.0
75108,CO-ADD:0302167,-6.85,C1(CCC(NC1c(ccc(c23)OCO2)c3)=O)[N+](=O)[O-],0.0
75109,CO-ADD:0302182,-6.85,n1(c2c(nc1C(F)(F)F)cccc2)c(nc(NC(C)(C)C)nc3n4c5c(nc4C(F)(F)F)cccc5)n3,0.0
75110,CO-ADD:0304758,-6.85,n(c1c(c2\C=C(\C3=O)/Sc(c34)cccc4)cccc1)(Cc5c(cccc5Cl)F)c2,0.0
75111,CO-ADD:0304939,-6.86,N1(c(ccc(c2s3)nc3SCC(=O)Nc4ccccc4OCC)c2)C(=O)c(c5C1=O)cccc5,0.0
75112,CO-ADD:0304904,-6.86,C(C#N)(=C(C)\C(=C\c(ccc1c2cccc(Cl)c2)o1)\C(=N3)O)C3=O,0.0
75113,CO-ADD:0301069,-6.86,c1(NNC(=O)c2cccc(OC)c2)nc(C)cc(C)n1,0.0
75114,CO-ADD:0301094,-6.86,N1(c(cc2)ccc2N(CC)CC)C(N(N=C1C(C)=O)c3ccc(cc3)Cl)c4c5c([nH]c4)cccc5,0.0
75115,CO-ADD:0300910,-6.86,S(=O)(=O)(N(CC1)CCO1)c2cc(ccc2N(CC3)CCN3C(=O)c4ccccc4Cl)[N+](=O)[O-],0.0
75116,CO-ADD:0302169,-6.86,S(=O)(=O)(c(ccc(c1C(N)=O)Sc2ccccc2N)c1)N(CC3)CCO3,0.0
75117,CO-ADD:0301342,-6.86,c12c(C(N(C)C(=O)N1C)=O)n(c(Sc3nccn3C)n2)Cc(cc4)ccc4Cl,0.0
75118,CO-ADD:0301343,-6.86,c(NC(C)c1ccccc1)(nc(NN)nc2Nc(cc3)ccc3F)n2.Cl,0.0
75119,CO-ADD:0301319,-6.86,N1(CCc2cccc(cccc3)c23)C(=O)c(c4C1(C)O)cccc4,0.0
75120,CO-ADD:0301289,-6.86,C1(=O)OC(CCC1(CCC(N2)=O)C2)=O,0.0
75121,CO-ADD:0301280,-6.86,c1(SCCC(O)=O)nc(c2n1c3ccccc3)cccc2,0.0
75122,CO-ADD:0301997,-6.86,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C\c4ccc(C)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
75123,CO-ADD:0302978,-6.86,C(=O)(Nc(cc1)ccc1F)C(NCCN(CC2)CCN2Cc3ccccc3)=O,0.0
75124,CO-ADD:0303006,-6.86,C1(=S)N(c2ccc(cc2)C)NC(CC(C)CC3(C)C)(C3)N1,0.0
75125,CO-ADD:0303758,-6.86,c1(NC(=O)\C(\C#N)=C/c(ccc2c(cccc3C(F)(F)F)c3)o2)sc(c4c1C(OCC)=O)CCCC4,0.0
75126,CO-ADD:0303160,-6.87,C(=C\c(cc1)ccc1OCCOc(cc2)ccc2C(C)(C)C)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
75127,CO-ADD:0303767,-6.87,c(C#N)(c1c2ccc(cc2)OC)c(SCC(=O)c3ccc(c(O)c3)O)nc(N)c1C#N,0.0
75128,CO-ADD:0306272,-6.87,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c(ccc(c2[N+](=O)[O-])C)c2,0.0
75129,CO-ADD:0311888,-6.87,n12c(S\C(=C/c(ccc(c3OCC)OCc4ccccc4)c3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
75130,CO-ADD:0311655,-6.87,c1(n(C)c2c(cccc2)n1)c3nonc3NC(=O)c(cc4)ccc4C(C)(C)C,0.0
75131,CO-ADD:0311181,-6.87,N(CC1)(CCN1CC(O)COc(cc2)ccc2C(C)C)CC(O)COc(cc3)ccc3C(C)C,0.0
75132,CO-ADD:0312221,-6.87,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(cc3OC)OC,0.0
75133,CO-ADD:0306184,-6.87,c1(C(=O)c2sc(c3n2)cccc3)cn(nc1C(C)=O)c4ccccc4,0.0
75134,CO-ADD:0305557,-6.87,[N+](=O)([O-])c1ccc(cc1NCc(cc2)ccc2Cl)N(CC3)CCN3C(=O)c4ccccc4F,0.0
75135,CO-ADD:0305848,-6.87,C(/C(C)=NN1c2ccc(cc2)C)(=C/c3sccc3C)\C1=O,0.0
75136,CO-ADD:0305842,-6.87,c1(NC(=O)C(C)Oc(ccc(c2C)Cl)c2)sc(c3c1C(OC)=O)CCCC3,0.0
75137,CO-ADD:0306277,-6.87,c(C(=O)N(CC)CC)(s1)c(C)c(c1NC(COc2ccccc2C)=O)C(OCC)=O,0.0
75138,CO-ADD:0307604,-6.87,n1(c2c(nn1)cccc2)C(=O)c3ccc(c(F)c3)F,0.0
75139,CO-ADD:0307523,-6.87,C1(C)(C)C(=O)C(C)C(OC1=O)c(cc2)ccc2[N+](=O)[O-],0.0
75140,CO-ADD:0321277,-6.87,n1(N)c(SCC(=O)Nc2ccc(cc2Cl)Cl)nnc1c(cccn3)c3,0.0
75141,CO-ADD:0323464,-6.87,N1(CCCC1=N)c2ccc(cc2OC)OC.Cl,0.0
75142,CO-ADD:0318748,-6.88,N(C(C)(C)C(N1CC(O)COc(cc2)ccc2C)=O)(CN(C(C)(C)C(N3CC(O)COc(cc4)ccc4C)=O)C3=O)C1=O,0.0
75143,CO-ADD:0323385,-6.88,n1(nc(c2n1)cccc2)c3cc(C)cc(N)c3O,0.0
75144,CO-ADD:0319613,-6.88,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/Nc3ccc(cc3C)Cl,0.0
75145,CO-ADD:0324342,-6.88,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c(c3c4cccc3)nnc4Nc5ccccc5C)c2,0.0
75146,CO-ADD:0324060,-6.88,c1(nonc1N)\C(\N)=N\N=C\c(cc(Cl)cc2Cl)c2OC,0.0
75147,CO-ADD:0323625,-6.88,C(C(=O)c1ccc(cc1)OC)(C2c3ccccc3F)=C(O)C(N2CCCCCC(O)=O)=O,0.0
75148,CO-ADD:0323649,-6.88,C(c1ccccc1)(=O)NC(C)C(=O)OCC(=O)c2ccc(cc2)Br,0.0
75149,CO-ADD:0323537,-6.88,N1(c2c(cccc2Cl)Cl)c3c(\C(=C\O)\C1=O)cccc3,0.0
75150,CO-ADD:0323278,-6.88,c1(\N=C\c2c[nH]nc2c3ccc(cc3)F)c(c4ccc(c(OC)c4)O)nc(cccc5)n15,0.0
75151,CO-ADD:0324022,-6.88,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3ccccc3NC(=O)c(cc4)ccc4C(F)(F)F,0.0
75152,CO-ADD:0323112,-6.88,C(=N\c1ccccc1)(/SC(C(=O)Nc(cc2)ccc2OC)CC3=O)\N3CCOC(C4)(C5)CC(CC5CC46)C6,0.0
75153,CO-ADD:0324887,-6.88,c1(c2c(cs1)CCCC2)C(=O)Nc(cccc3C(C)=O)c3,0.0
75154,CO-ADD:0324080,-6.88,C12(CC3CC(CC(C3)C1)C2)C(=O)NCN4CCCCC4,0.0
75155,CO-ADD:0320599,-6.88,c1(ccc(cc1O)O)CN(CC(O)=O)CC(O)=O,0.0
75156,CO-ADD:0320375,-6.88,[nH](c(ccc(c1)OC)c1c2CCNC(=O)c3ccc(cc3)C)c2C,0.0
75157,CO-ADD:0135792,-6.88,c1([N+](=O)[O-])ccc(n([H])c(N)n2)c2c1,0.0
75158,CO-ADD:0135984,-6.88,N1=C(OC)C=CN(C1=O)C(CCCC2)O2,0.0
75159,CO-ADD:0136577,-6.88,O(P(Oc(cccc1)c1)(c(cccc2)c2)=O)c(ccc3)cc3,0.0
75160,CO-ADD:0136482,-6.88,O=C1N([H])C2(CCCC2)SC(Nc3cccc(C)c3)=C1C#N,0.0
75161,CO-ADD:0136618,-6.89,C(=N)(Nc(ccc1Cl)cc1)N2CCCc(cc(OC)c3)c2c3,0.0
75162,CO-ADD:0136372,-6.89,[H]N1C(C)=C(Cc2c3c(cccc3)ccc2O)C(=O)N([H])C1=S,0.0
75163,CO-ADD:0136380,-6.89,O=C(C(CC=CC1OC(C)=O)C1C2O)c(ccc3)c2c3O,0.0
75164,CO-ADD:0136404,-6.89,c1c(NC(=O)CN)c(C(c2[nH]ccc2)=O)cc(Cl)c1,0.0
75165,CO-ADD:0136588,-6.89,Clc(c(ccc1NC(COc(c(C(N)=O)ccc2)c2)=O)Cl)c1,0.0
75167,CO-ADD:0136604,-6.89,n1c(N)nc(Nc(ccc(C#N)c2)c2)c(c1C)Br,0.0
75168,CO-ADD:0136385,-6.89,n1cnc(c(c1N)n2)n(C(C(N)C(O)C3CO)O3)c2,0.0
75169,CO-ADD:0136785,-6.89,c1ccc2c(C(CSC2)=NOCc3cc(C(C)=O)ccc3OC)c1,0.0
75170,CO-ADD:0136729,-6.89,Clc(cc(c1)Cl)c(C(=O)Nc2ccc(cccc3)c3c2)c1,0.0
75171,CO-ADD:0136849,-6.89,C1=CC2(C3(CCC4(C=CC5(C(C6CCCCC6)O5)C4)CC3)O2)C=C1,0.0
75172,CO-ADD:0136226,-6.89,c1c(Nc(c(S(O)(=O)=O)cc(N)c2)c2)cccc1,0.0
75173,CO-ADD:0136306,-6.9,n1c(SC)nc(c2c1)nc(C(O)c(cccc3)c3)n2[H],0.0
75174,CO-ADD:0136330,-6.9,N1(C)CCC2(C(CC(O)C=C2)O3)c(c3c(OC)cc4)c4C1,0.0
75175,CO-ADD:0137266,-6.9,[H][C@@]1([C@](c2c(cc(OC)cc2)O1)(CO3)[H])c(ccc(O)c4)c34,0.0
75176,CO-ADD:0135773,-6.9,N1=C(C(N)=O)C(=O)N([H])C(CCCC2)=C12,0.0
75177,CO-ADD:0135973,-6.9,O(CC=C)c1ccc(S(=O)(=O)C)cc1,0.0
75178,CO-ADD:0135933,-6.9,C1OCCN(C(CN(CCOC2)C2)=O)C1,0.0
75179,CO-ADD:0136279,-6.9,c1(OC)cc(OC)cc(O)c1C(C=Cc(cccc2)c2)=O,0.0
75180,CO-ADD:0137030,-6.9,Clc(cc1)cc(c1)N=C(/C(N2c3cccc(c3)Cl)=O)CC2c4ccc(cc4)Cl,0.0
75181,CO-ADD:0135713,-6.9,S=C(C(C)(C)N1N=O)N([H])C1(C)C,0.0
75182,CO-ADD:0137034,-6.9,N(C)(C(CC(OC(c1ccccc1)c2ccccc2)C3)CC4)C34.CS(O)(=O)=O,0.0
75183,CO-ADD:0137146,-6.91,c1cc(CCN(C)C2Cc3ccccc3NC(c4sc5c(cccc5)c4Cl)=O)c2cc1,0.0
75184,CO-ADD:0137082,-6.91,[As](c(cc(NC(C)=O)cc1)c1)(c(cc(NC(C)=O)cc2)c2)(c(ccc3)cc3NC(C)=O)=O,0.0
75185,CO-ADD:0135722,-6.91,Clc1c(c(c(O)cc2)ccc1)n2,0.0
75186,CO-ADD:0135771,-6.91,[H]N1C(OC(COC(C)C#C)C1)=S,0.0
75187,CO-ADD:0135654,-6.91,N(C(=N/N=C(/C)C)c1c2ncn1[H])=CN2[H],0.0
75188,CO-ADD:0137088,-6.91,n1n(c2ccccc2)c(C=C(C(C)=C[C@]([C@@]3([C@@H](O)C4)[H])([C@](C[C@@H](C)[C@]5(O)C(C)=O)([C@]45C)[H])[H])[C@@]36C)c(c1)C6,0.0
75189,CO-ADD:0135664,-6.91,N1=C(C)C(C(O)CC2)C2CC1(C)C,0.0
75190,CO-ADD:0135949,-6.91,n1cccc(C=C(/C#N)c(ccc(OC)c2)c2)c1,0.0
75191,CO-ADD:0136017,-6.91,O=C(C=C(C)N1C(C)CC)N1C(C)CC,0.0
75192,CO-ADD:0136711,-6.91,O=C(C(C)C1)N(C(=S)N1[H])c(ccc(c2)OCCCCC)c2,0.0
75193,CO-ADD:0136614,-6.91,C1CCCCC1NCc2c(O)cc(CNC(CCCC3)C3)c(O)c2,0.0
75194,CO-ADD:0136574,-6.91,N1(CCN(CC)CC)c(c(ccc2)Sc(ccc(c3c4)ccc4)c13)c2,0.0
75196,CO-ADD:0136375,-6.91,[H]n1c(c(cccc2)c2)cc(C#N)c1c3c(ccc4)c(ccn3)c4,0.0
75197,CO-ADD:0136407,-6.92,n1ccc(C=C(/C(N)=O)c2c3c(cccc3)ccc2)cc1,0.0
75198,CO-ADD:0136527,-6.92,n1cc(CO)n(Cc2c(cccc2Cl)Cl)c1C(C)C,0.0
75199,CO-ADD:0135998,-6.92,[H]n1c(cccc2)c2c(ccc3CC(N)=O)c1c3,0.0
75200,CO-ADD:0136046,-6.92,O=C1C(O)=C(CN2CCCCC2)N([H])C=N1,0.0
75201,CO-ADD:0135927,-6.92,[H]N1CCN([H])c(cc(c2ccccc2)c3)c1c3,0.0
75202,CO-ADD:0136763,-6.92,c1ccc(c(Cl)cc(C(NC(C(O)=O)(C)C)=O)c2O)c2c1,0.0
75203,CO-ADD:0136692,-6.92,N1=C(C=C/c2ccccn2)N(c(c(C)ccc3)c3)C(c(ccc4)c1c4)=O,0.0
75204,CO-ADD:0136708,-6.92,O1C2(CCC(C(Cc(ccc(OC)c3)c34)N5C)C4(CC5)C2)OCC1,0.0
75205,CO-ADD:0136796,-6.92,c1ccc(sc(NC(Nc2cc(SC)ccc2)=O)n3)c3c1C,0.0
75206,CO-ADD:0135930,-6.92,S1CS(=O)(=O)CS(=O)(=O)C1,0.0
75207,CO-ADD:0136091,-6.92,n1ccc(C(N(C)c(cccc2)c2)=O)cc1,0.0
75208,CO-ADD:0136187,-6.92,O=C(N(C)c(c1C2=O)nc(OCCCC)n1C)N2C,0.0
75209,CO-ADD:0136303,-6.92,[H]n1c(C)c(C=C(C(C)=N2)/c(ccc3)c2c3)c(ccc4)c1c4,0.0
75210,CO-ADD:0136327,-6.93,n1c(cccc2)c2c(O)cc1c(ccc(c3)Cl)c3,0.0
75211,CO-ADD:0136263,-6.93,c1c(CNCC(CCl)c(cccc2)c2)cccc1,0.0
75212,CO-ADD:0136072,-6.93,[H]n1cc(C=C(C(N)=O)/C#N)c(ccc2)c1c2,0.0
75213,CO-ADD:0136233,-6.93,C1(CC)=C(CCC(C(O)=O)C1C)c2ccc(OC)cc2,0.0
75214,CO-ADD:0136493,-6.93,c1ccc(N)c(C(Nc2ccc(Cl)cc2Cl)=O)c1,0.0
75215,CO-ADD:0136549,-6.93,C1(=O)C(=Cc(cccc2OC)c2)CCc3c1cccc3,0.0
75216,CO-ADD:0136685,-6.93,c1(OC)c(OC)cc(C(C2(CCCCC2)O)NCC3)c3c1,0.0
75217,CO-ADD:0136454,-6.93,c1cc(Sc2c(non3)c3c([N+](=O)[O-])cc2)[n+]([O-])cc1,0.0
75218,CO-ADD:0136390,-6.93,O1C(CO)C(O)C(C1N(C2=N3)C=CC3=N)O2.CC(O)=O,0.0
75219,CO-ADD:0136836,-6.93,Clc(ccc(SC(Sc(ccc(c1)Cl)c1)=S)c2)c2,0.0
75220,CO-ADD:0136754,-6.93,Fc(ccc(NC(=O)OCCOc(ccc([N+](=O)[O-])c1)c1)c2)c2,0.0
75221,CO-ADD:0137019,-6.93,c1c(N)c2c(nc(C(=CC3=C(COC(=O)[C@]3(O)CC)C4=O)N4C5)c5c2)cc1,0.0
75222,CO-ADD:0135931,-6.93,c1c(NC(CC(C)=O)=O)c(OC)cc(OC)c1,0.0
75223,CO-ADD:0135939,-6.93,N1=C(N)N([H])c(c(C1=O)n2)n(C(CCC3)C3)c2,0.0
75224,CO-ADD:0135812,-6.93,S=C1C(SC)=C(N(C)C)C1=O,0.0
75225,CO-ADD:0135892,-6.93,O=[As](O)(O)c(c(O)cc(N)c1)c1,0.0
75226,CO-ADD:0135924,-6.93,n1cnc(c(cn2)c1NC)n2C(CCCC3)O3,0.0
75227,CO-ADD:0136174,-6.93,O=C(C(C(=O)c(cccc1)c1)C(O2)=O)C=C2c(cccc3)c3,0.0
75228,CO-ADD:0136126,-6.94,c1ccc(C(=O)N2C3=C4C(=NN=C4O)CC2)c3c1,0.0
75229,CO-ADD:0136278,-6.94,c1c(c(ccc1)NC(=O)c2c(O)cc(ccc3)c(c3)c2)OC,0.0
75230,CO-ADD:0135596,-6.94,NC(NC(Cc1ccccc1)C)=O,0.0
75231,CO-ADD:0135620,-6.94,[H][C@@](C)(C[C@]1([C@@](C2)(N([H])CCN1[H])[H])[H])C2,0.0
75232,CO-ADD:0135716,-6.94,O=C1N([H])c2n(ncn2)C(N)=C1,0.0
75233,CO-ADD:0136363,-6.94,O=[As](O)(O)c1c2c(c(N)ccc2)ccc1,0.0
75234,CO-ADD:0136164,-6.94,N(=Nc(cccc1)c1)c(ccc(S(O)(=O)=O)c2)c2,0.0
75235,CO-ADD:0136393,-6.94,O=C(N([H])N=C1c(c2c(cccc2)n3)cc3c(cccc4)c4)O1,0.0
75237,CO-ADD:0135655,-6.94,ClC1=CC(N=C(SC)N1[H])=O,0.0
75238,CO-ADD:0135631,-6.94,O=C1N=C(C(=C(C=N/O)N1[H])N=N2)O2,0.0
75239,CO-ADD:0135727,-6.94,c1c(NCCO)c(C(OC)=O)ccc1,0.0
75240,CO-ADD:0135956,-6.94,Clc(cc1)cc(NC(OC(C(O)=O)C)=O)c1,0.0
75241,CO-ADD:0135871,-6.94,[H]n1c(N)c(c(N)n1)N=Nc(ccc(OC)c2)c2,0.0
75242,CO-ADD:0136172,-6.94,c1c(C(=O)Oc(ccc(C(C)(C)C)c2)c2)cccc1,0.0
75243,CO-ADD:0136162,-6.94,C1CC(=O)N(c2ccc([N+](=O)[O-])cc2N)C(=O)C1,0.0
75244,CO-ADD:0136806,-6.94,Brc1c(C)cc(n(c(nn2)SCC#C)n2)cc1,0.0
75245,CO-ADD:0136846,-6.94,Clc(cc([N+](=O)[O-])c1)c(c1)OCC(=O)N2CCOCC2,0.0
75246,CO-ADD:0135617,-6.94,N1(N=O)C(C)CCC(CC)C1,0.0
75247,CO-ADD:0136356,-6.95,O=C(N(C)c(c1C2=O)nc(OCC(C)C)n1C)N2C,0.0
75248,CO-ADD:0136085,-6.95,Brc(cc1)cc(NCC(NN)=O)c1,0.0
75249,CO-ADD:0137070,-6.95,N1=C(N)N=C(NCCCOc2ccc([N+](=O)[O-])cc2)N([H])C1(C)C.C(S(O)(=O)=O)C,0.0
75250,CO-ADD:0135582,-6.95,C(NC(NCC=C)=S)C,0.0
75251,CO-ADD:0135670,-6.95,n1c(NC(C)=O)cc(NC(C)=O)nc1,0.0
75252,CO-ADD:0136150,-6.95,C1CCCC2(N([H])C(=S)C(CCCC3)(N2[H])C3)C1,0.0
75253,CO-ADD:0136286,-6.95,O=C(N(C)C(C(C1=O)N=Nc(ccc(c2)Cl)c2)=O)N1[H],0.0
75254,CO-ADD:0136789,-6.95,C1=CC(=O)N(c2ccc(I)cc2Cl)C1=O,0.0
75255,CO-ADD:0136813,-6.95,C1CCN(c2nn(CC(NN=Cc3ccccc3O)=O)nn2)CC1,0.0
75256,CO-ADD:0136877,-6.95,c1(Nc2cc(Cl)ccc2)nc(n(C)nc3)c3c(Nc4cc(Cl)ccc4)n1,0.0
75257,CO-ADD:0136925,-6.95,N(=NC(C(C)=N1)C(N1c(cccc2)c2)=O)c(ccc(S(=O)(=O)N)c3)c3,0.0
75258,CO-ADD:0136694,-6.95,N1(C)C(=S)c([nH]c(SC2CCCN(CC)C2)n3)c3N(C)C1=O,0.0
75259,CO-ADD:0243912,-6.95,C(C(NC=C1C(OCC)=O)=O)(C(CC(NCCc(ccc(c2OCC)OCC)c2)=O)c3cc(OC)c(OCO4)c4c3OC)=C1O,0.0
75260,CO-ADD:0243136,-6.95,c1(c2OC)c(OCO1)c(OC)cc2CC(CC(=N3)CNC(=O)c4cccc(F)c4)O3,0.0
75261,CO-ADD:0243926,-6.95,c(cccc1)(c12)OC(=O)C(C(c(c(OC)c(OCO3)c34)cc4OC)CC(=O)NCCc(cc5)ccc5OC)=C2O,0.0
75262,CO-ADD:0243873,-6.95,c(Br)(c(C=O)c1OC)c(OCO2)c2c1OC,0.0
75263,CO-ADD:0243017,-6.95,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CN(CCO4)CC4)O3)OC,0.0
75264,CO-ADD:0243924,-6.95,c(cccc1)(c12)OC(=O)C(C(c(cc3c4OCO3)cc4OC)CC(=O)NCCc5nc[nH]c5)=C2O,0.0
75265,CO-ADD:0243036,-6.95,N1=C(CO)C(C(c(cc2OC)cc(c23)OCO3)O1)C,0.0
75266,CO-ADD:0243044,-6.96,c(CC(C1)ON=C1C(O)=O)(c(OC)c(c2c3OCO2)OC)c3Br,0.0
75268,CO-ADD:0243602,-6.96,c1c(C)nc2c(c(n(ccc3)c3)c(C(=O)N\N=C\c(c(OC)c4c(OCO4)c5OC)c5CCC)s2)c1COC,0.0
75269,CO-ADD:0243898,-6.96,C(C(=O)N1)(C(c(c2)cc(OC)c(OCO3)c23)CC(NCc4ccc(F)cc4)=O)=C(O)C(C(OCC)=O)=C1,0.0
75270,CO-ADD:0242994,-6.96,[nH](c(ccc(c1)OC)c1c2CCNCc(cc3OC)cc(c34)OCO4)c2C,0.0
75271,CO-ADD:0243098,-6.96,c(\C=N\NC(C(C(=O)NCC1)C1)=O)(c2OC)c(CCC)c(OC)c(OCO3)c23,0.0
75272,CO-ADD:0243106,-6.96,c(\C=N\NC(C(=CC1=O)N=C2N1C=CS2)=O)(c3OC)c(CCC)c(OC)c(OCO4)c34,0.0
75273,CO-ADD:0243138,-6.96,C(C(OC)=O)(C1C)=NOC1c(cc(OC)c(c23)OCO2)c3OC,0.0
75274,CO-ADD:0243107,-6.96,c(OC)(c1OC)c(CC2CC(C(OCC)=O)=NO2)c(\C=N/NC(c(c(O)c3)ccc3)=O)c(OCO4)c14,0.0
75275,CO-ADD:0243793,-6.96,c(cc1)(OC(=O)C(C(c(cc2c(OCO2)c3OC)c3)C(C(=O)Nc(cc(OC)c(OC)c4OC)c4)O5)=C56)c6cc1,0.0
75276,CO-ADD:0243298,-6.96,C(C(OC)=O)(=C(CC(OC)=O)OC(=C1C#N)N)C1c(cc(c2c3OCO2)OC)c3,0.0
75279,CO-ADD:0243775,-6.97,c(c1)(OC2)c(ccc1CN(C(=O)C(O)=C3C(=O)c4cc(OC)ccc4)C3c5cc(OCO6)c6c(OC)c5)O2,0.0
75280,CO-ADD:0243792,-6.97,c(cc1)(OC(=O)C(C(c(cc2c(OCO2)c3OC)c3)C(C(=O)Nc4cc(C)on4)O5)=C56)c6cc1,0.0
75281,CO-ADD:0243278,-6.97,c1([N+](=O)[O-])c(OC)c2c(OCO2)c(OC)c1[N+](=O)[O-],0.0
75282,CO-ADD:0243686,-6.97,n(c1c(c2c3c(OC)c(OCO4)c4c(OC)c3)N(C(N1)=O)C)c(c2c5)n(C(C)C)n5,0.0
75284,CO-ADD:0243790,-6.97,c(cc1)(OC(=O)C(C(c(c(OC)c2c(OCO2)c3OC)c3)C(C(=O)Nc(ccc(OC)c4)c4)O5)=C56)c6cc1,0.0
75285,CO-ADD:0243502,-6.97,c(OC1)(c(OC)c(OC)c2c(nc(CCC(=O)O)o3)n3)c(O1)c2,0.0
75286,CO-ADD:0243518,-6.97,C12=C(C(CC(=O)N1c3cccc(Cl)c3)c(cc(OCO4)c4c5OC)c5OC)SC(=O)N2CC(OC)=O,0.0
75288,CO-ADD:0243542,-6.97,c(OC)(c([N+](=O)[O-])c1C=O)c(OC2)c(O2)c1,0.0
75289,CO-ADD:0243668,-6.97,C1(SC(C)=NC(N(C2CCCCC2)NC3=O)=C13)c4c(c(c5c(c4)OCO5)OC)OC,0.0
75290,CO-ADD:0243732,-6.97,c(c1)(OC2)c(ccc1CN(C(=O)C(O)=C3C(=O)c4cc(OCO5)c5cc4)C3c6cc(OCO7)c7c(OC)c6)O2,0.0
75291,CO-ADD:0243853,-6.97,C1=C(C)OC(=O)C(C(c(cc2c3OCO2)cc3OC)CC(=O)Nc(cc4)cc(OCO5)c45)=C1O,0.0
75292,CO-ADD:0243565,-6.97,CC(C)(C)n(nc1)c2c1C(c3cc(OC)c(OCO4)c4c3)C(N(C(N5)=O)c6ccccc6)C5=N2,0.0
75293,CO-ADD:0243261,-6.97,c(OC1)(c(OC)c(OC)c2CC(=O)O)c(O1)c2,0.0
75294,CO-ADD:0243879,-6.97,c(cc1)(OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)NCc(cc4)ccc4OC)=C5O)c5cc1,0.0
75295,CO-ADD:0243887,-6.97,c(cc1)(OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)NCc(occ4)c4)=C5O)c5cc1,0.0
75296,CO-ADD:0243895,-6.98,C(C(=O)N1)(C(c(cc2c(OCO2)c3OC)c3)CC(NCc4ccc(OC)cc4)=O)=C(O)C(C(OCC)=O)=C1,0.0
75297,CO-ADD:0243607,-6.98,c1c(C)nc2c(c(n(ccc3)c3)c(C(=O)N\N=C\c(cc4c(OCO4)c5OC)c5OC)s2)c1COC,0.0
75300,CO-ADD:0243204,-6.98,c(C=O)(c1OC)c(CC2CC(c(cc3)ccc3F)=NO2)c(OC)c(OCO4)c14,0.0
75302,CO-ADD:0243189,-6.98,Cc(cc(\C=N\NC(C1=NOC(c(c(Br)c2OC)c(Br)c(OCO3)c23)C1C)=O)cc4)c4,0.0
75303,CO-ADD:0243454,-6.98,c(OC1)(c(OC)c([N+](=O)[O-])c2C#N)c(O1)c2,0.0
75304,CO-ADD:0243186,-6.98,C(C1ON=C(CNC(CCC2)(C2)CN3CCOCC3)C1)c(c4OC)cc(OC)c5c4OCO5,0.0
75305,CO-ADD:0243218,-6.98,c1(c(OCO1)c2\C=N\NC(=O)c3ccccc3[N+](=O)[O-])c(OC)c(c2CC(C4)ON=C4C(OCC)=O)OC,0.0
75306,CO-ADD:0243701,-6.98,N(CCO1)(CC1)CCN(C(=O)C(O)=C2C(=O)c3cc(OCO4)c4cc3)C2c(cc5c6OCO5)c(OC)c6OC,0.0
75307,CO-ADD:0243315,-6.98,C12[C@@](C)(C(=O)\C(=C\c3cc(OC)c(OC4)c(O4)c3)\C1)CCC5C2CC[C@@]([H])(CC(O)C6)[C@]5(C)C6,0.0
75308,CO-ADD:0243041,-6.98,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CNCCCc(c4c([nH]5)cccc4)c5C)O3)OC,0.0
75309,CO-ADD:0243145,-6.98,c1(c(OC)c(c(OCO2)c2c1Br)OC)C(ON=C3C(NN)=O)C3C,0.0
75310,CO-ADD:0240102,-6.98,C[C@]1(CC2)[C@@]3([H])[C@@](C=C[C@@H]3OC(C4=CC=CC=C4)=O)([H])[C@]2(C5CCCC5)O1,0.0
75312,CO-ADD:0243463,-6.99,c(C(C1)c2cc(OC)c3c(OCO3)c2OC)(c(NC1=O)c4C(O)=O)n(c(cccc5C(F)(F)F)c5)c4,0.0
75314,CO-ADD:0243065,-6.99,c1(c(Br)c(OC)c(c2c1Br)OCO2)C(ON=C3C(N)=O)C3C,0.0
75315,CO-ADD:0243933,-6.99,C(C)(=C1)OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)NCCc(cc4)ccc4OC)=C1O,0.0
75316,CO-ADD:0243658,-6.99,c(OCO1)(c1c2)c(OC)cc2C(=O)C[N+](=O)[O-],0.0
75317,CO-ADD:0243434,-6.99,c(OC1)(c(OC)c(C=O)c2Br)c(O1)c2OC,0.0
75318,CO-ADD:0243235,-6.99,COc1cc(C2c(c3CC(=O)OC)c(n[nH]3)OC(N)=C2C#N)c(OC)c(O4)c1OC4,0.0
75319,CO-ADD:0243216,-6.99,N1(C=CS2)C2=NC(C(=O)N\N=C\c(c3OC)c(CC(CC(=N4)c5ccc(cc5)F)O4)c(c(OCO6)c36)OC)=CC1=O,0.0
75324,CO-ADD:0236956,-6.99,O=C(C(C=C(OC)C=C1)=C1CC/2)C2=CC3=CC=CC(/C=C4CCC(C=CC(OC)=C5)=C5C4=O)=C3,0.0
75325,CO-ADD:0236931,-7.0,O=C(C1=CC=C(OC)C=C1CC/2)C2=CC3=COC=C3,0.0
75326,CO-ADD:0244007,-7.0,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)Oc2ccc(CCO[N+]([O-])=O)cc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1O,0.0
75327,CO-ADD:0236939,-7.0,O=C(C1=CC=C(OC)C=C1CC/2)C2=CC3=CC=CN=C3,0.0
75328,CO-ADD:0243996,-7.0,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1O,0.0
75329,CO-ADD:0244016,-7.0,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(=O)CO[N+]([O-])=O,0.0
75330,CO-ADD:0236954,-7.0,O=C(/C=C/C1=CC=C(OC)C(OC)=C1)C2=CC=C(OCC3=CC=C(Br)C=C3)C=C2,0.0
75331,CO-ADD:0243143,-7.0,c(cc(OC)c(c12)OCO1)(c2OC)C(C(C)C(=N3)CNCc(ccc4Cl)cc4)O3.Cl,0.0
75332,CO-ADD:0243159,-7.0,c(OC)(c(OC)c1C=O)c(OCO2)c2c1[N+](=O)[O-],0.0
75333,CO-ADD:0243896,-7.0,C(C(=O)N1)(C(c(cc2c3OCO2)cc3OC)CC(NCc4cc(OCO5)c5cc4)=O)=C(O)C(C(OCC)=O)=C1,0.0
75334,CO-ADD:0222187,-7.0,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C/c(cc3)ccc3Cl,0.0
75335,CO-ADD:0222129,-7.0,C(=O)(c1ccc(cc1)Oc(cc2)ccc2C#N)OCC(c3ccccc3)=O,0.0
75336,CO-ADD:0222554,-7.0,N(=C\c(cc(Br)cc1Br)c1O)/c2c(C)cccc2O,0.0
75337,CO-ADD:0222088,-7.0,C12(CC1)C3C(C(C4(Cl)Cl)C24)C3C(O)=O,0.0
75338,CO-ADD:0222000,-7.0,S(=O)(=O)(c(ccc(c1C(=O)Nc(cccc2C(C)=O)c2)Cl)c1)N(CC3)CCO3,0.0
75339,CO-ADD:0220821,-7.0,c(Nc1ccccc1)(nc(N\N=C\c(ccc(c2OC)OC)c2)nc3Nc(cc4)ccc4OC)n3,0.0
75340,CO-ADD:0220290,-7.0,C(=O)(OC1CCCCCCCCCCC1)c2ccccc2C(c3ccccc3)=O,0.0
75341,CO-ADD:0219221,-7.01,C(COc(cc1)ccc1C(C)C)(=O)N\N=C\C=C\c2ccccc2,0.0
75342,CO-ADD:0219220,-7.01,O1C(=O)c(cc2)c(c(ccc3C(=O)C(c4ccccc4)=O)C1=O)c3c2,0.0
75343,CO-ADD:0220100,-7.01,c1(C#N)c2c(sc1\N=C\c(cc3)ccc3O)CCCC2,0.0
75344,CO-ADD:0221949,-7.01,N(c1ccc(cn1)Br)C(OC)=O,0.0
75345,CO-ADD:0219062,-7.01,C(=O)(N\N=C\c1ccccc1Cl)C(=O)Nc2c(C)ccc(Cl)c2,0.0
75346,CO-ADD:0219051,-7.01,C(=O)(N\N=C\c1ccccc1OC)C(=O)Nc2c(C)ccc(Cl)c2,0.0
75347,CO-ADD:0221469,-7.01,N1(CNc2cccc(cccc3)c23)C(=O)c(c4C1=O)ccc(c4)[N+](=O)[O-],0.0
75348,CO-ADD:0221151,-7.01,c1(nc(c2ccccc2)cc3C(F)(F)F)n3nc(C(=O)Nc(c4)cc(cc4Oc5ccccc5C)Oc6ccccc6C)c1Br,0.0
75349,CO-ADD:0221434,-7.01,n1(c2cc(C)ccc2OS(=O)(=O)c(cc3)ccc3N4C(=O)c5c(cccc5)C4=O)nc6c(cccc6)n1,0.0
75350,CO-ADD:0221122,-7.01,c1(C(OCC)=O)c(C)c(sc1N)C(OCC)=O,0.0
75351,CO-ADD:0234579,-7.01,N(\C(=C/c(cc1)ccc1\C=C(\C2=O)/N=C(O2)c(ccc(c3[N+](=O)[O-])C)c3)\C(O4)=O)=C4c(ccc(c5[N+](=O)[O-])C)c5,0.0
75352,CO-ADD:0231088,-7.01,N(=C\c1ccccc1Cl)/NC(CCC(=O)Nc2cccc(Br)c2)=O,0.0
75353,CO-ADD:0231080,-7.02,C(=O)(Nc1ccccc1)C\C(\C)=N\NC(COc2ccccc2C)=O,0.0
75354,CO-ADD:0234526,-7.02,[N+](=O)([O-])c1ccc(c(Cl)c1)NCCN,0.0
75355,CO-ADD:0231100,-7.02,C(N(CCC)CCC)(=S)Oc(cc1)ccc1C(=O)Nc(cc2)ccc2Br,0.0
75356,CO-ADD:0231120,-7.02,C(=O)(Nc(cc1)ccc1CC)C\C(\C)=N\NC(COc2ccc(cc2Br)C)=O,0.0
75357,CO-ADD:0236836,-7.02,n1(CC2CCCCC2)c(N)cc(c3ccc(cc3)C)n1,0.0
75358,CO-ADD:0231490,-7.02,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cc3)cc(c3OC(=O)c4ccc(cc4)Br)OC,0.0
75359,CO-ADD:0233429,-7.02,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c(cc3OC)cc(c3OC)OC,0.0
75360,CO-ADD:0236386,-7.02,c1(NC(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)sc(c3c1C#N)CCCC3,0.0
75361,CO-ADD:0234683,-7.02,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccccc3I,0.0
75362,CO-ADD:0233612,-7.02,C(=O)(Oc(cccc1OC(=O)c2ccccc2F)c1)c3ccccc3F,0.0
75363,CO-ADD:0233168,-7.02,c1(SCC)[nH]c(c2n1)cccc2,0.0
75364,CO-ADD:0234253,-7.02,N(=C(/CCCC)\c1ccccc1)/NC(CNC(=O)c2ccc(cc2)Cl)=O,0.0
75365,CO-ADD:0227766,-7.02,N1(NC(O)C(Cl)(Cl)Cl)C(C)=Nc(c2C1=O)cccc2,0.0
75366,CO-ADD:0227746,-7.02,c1(cc(cc(nn2)c1n2c3ccccc3)C(F)(F)F)[N+](=O)[O-],0.0
75367,CO-ADD:0227464,-7.02,c1(NCC(=O)N\N=C(/C)\C(CCC(=C2)C)C2)c(Br)cc(cc1Br)Br,0.0
75368,CO-ADD:0229090,-7.02,C(=O)(c1ccccc1C)Nc(cc2)ccc2C(=O)N\N=C\c3cccc(OC)c3,0.0
75369,CO-ADD:0229353,-7.03,N1C(=O)C(SC1=N)CC(=O)Nc(cc2)ccc2Cl,0.0
75370,CO-ADD:0229142,-7.03,N(/c(cc1)ccc1I)=C\c(cc2)ccc2F,0.0
75371,CO-ADD:0221233,-7.03,S(=O)(=O)(c1ccc(cc1)C)N(C)CCOC(=O)Nc2cccc(Cl)c2,0.0
75372,CO-ADD:0219396,-7.03,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(=O)NCc2ccc(cc2Cl)Cl,0.0
75373,CO-ADD:0222353,-7.03,n1c2c(oc1c3cccc(Br)c3)ccc(c2)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4,0.0
75374,CO-ADD:0222176,-7.03,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(=O)Cc3ccc(c(cccc4)c34)Br)o1,0.0
75375,CO-ADD:0221385,-7.03,c1(c2ccc(cc2)NC(=O)C(C)(C)C)nc(c(cc3)ccc3NC(=O)C(C)(C)C)cc(c4ccccc4)n1,0.0
75377,CO-ADD:0222489,-7.03,C(=O)(Oc1ccc(cc1OC)C=O)c2ccccc2Br,0.0
75378,CO-ADD:0222810,-7.03,c1(OC(=O)\C=C\c(cc2)ccc2Br)c(Br)cc(cc1Br)\C=N\c3cccc(Cl)c3,0.0
75379,CO-ADD:0219561,-7.03,N(=C(/CCC)\c1ccc(cc1)C)/NC(Cc2ccccc2)=O,0.0
75380,CO-ADD:0219454,-7.03,c1(ccc(cc1OC)OC)\C(\C)=N\NC(COc2ccc(cc2Cl)Cl)=O,0.0
75381,CO-ADD:0222369,-7.03,c1(N(CC2)CCO2)nc(N\N=C/c3ccccc3Br)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
75382,CO-ADD:0221870,-7.03,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)Nc3cccc(Cl)c3Cl,0.0
75383,CO-ADD:0219518,-7.03,[N+](=O)([O-])c1ccccc1NC(=O)C\C(\C)=N\NC(=O)Cc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],0.0
75384,CO-ADD:0220765,-7.03,[N+](=O)([O-])c1c(\C=N\NC(CNc2ccccc2C)=O)cc(c3c1)OCO3,0.0
75385,CO-ADD:0222030,-7.03,c1(c(OC)cc(c(\C=N\NC(COc2cccc(C)c2)=O)c1)OC)[N+](=O)[O-],0.0
75386,CO-ADD:0220456,-7.04,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C\c3cc(C)ccc3O,0.0
75387,CO-ADD:0220836,-7.04,c(Nc1ccccc1)(nc(N\N=C\c(cc2)ccc2OC)nc3Nc(cc4)ccc4OC)n3,0.0
75388,CO-ADD:0220809,-7.04,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3I)nc(Nc(cc4)ccc4C)n1,0.0
75389,CO-ADD:0220373,-7.04,c1(cc(C)cc(I)c1O)\C=N\c(cc2)ccc2C(OCC)=O,0.0
75390,CO-ADD:0221958,-7.04,c1(ccccc1c2ccccc2)C(NCCOCCCCCCCC)=O,0.0
75391,CO-ADD:0220773,-7.04,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNc2cccc(C)c2)=O)c(cc3OC)cc(c3OC)OC,0.0
75392,CO-ADD:0221944,-7.04,N1(c(ccc(c2C(O)=O)Cl)c2)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
75393,CO-ADD:0221061,-7.04,c(\C=N\c(ccc(c1C)C)c1)(c2C)c3c(n2C)ccc(c3)[N+](=O)[O-],0.0
75394,CO-ADD:0221113,-7.04,n(\N=C\c(ccc1c2ccc(cc2)Br)o1)(cnn3)c3,0.0
75395,CO-ADD:0219077,-7.05,c1(C(C)C)cc(Br)c(cc1OCC(=O)N\N=C\c2cccc(OC)c2OC)C,0.0
75396,CO-ADD:0221497,-7.05,C(=N/NC(CSc1sc(c2n1)cccc2)=O)(/c3c(N4)cccc3)\C4=O,0.0
75397,CO-ADD:0221474,-7.05,N1(CNc(cc2)ccc2OC)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
75398,CO-ADD:0234475,-7.05,N1(CCc2ccccc2)C(=O)CC(S\C(\NCC)=N\CC)C1=O,0.0
75399,CO-ADD:0233201,-7.05,C1(CCOC(=O)Nc(cc2)ccc2Cl)(c3ccccc3)C(=O)c4c(cccc4)C1=O,0.0
75400,CO-ADD:0233613,-7.05,C(=O)(Oc(cc1)ccc1OC(=O)c2ccccc2F)c3ccccc3F,0.0
75401,CO-ADD:0233746,-7.05,c1([nH]nc(C(CC2)CCN2C(=O)[C@@H]3CCCN3)c1)C(F)(F)F.Cl,0.0
75402,CO-ADD:0227701,-7.05,S(=O)(=O)(N(CC1)CCO1)c2cccc(nsn3)c23,0.0
75403,CO-ADD:0231276,-7.05,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3Cl,0.0
75404,CO-ADD:0229083,-7.05,c1(ccccc1NC(=O)c2ccc(cc2)F)C(=O)N\N=C\c3ccc(cc3O)O,0.0
75405,CO-ADD:0229649,-7.05,N1(c2ccccn2)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4OC,0.0
75406,CO-ADD:0227813,-7.05,C(OC)(=O)c1ccc(cc1)NC(CCCCCCCC(=O)Nc(cc2)ccc2C(OC)=O)=O,0.0
75407,CO-ADD:0227717,-7.06,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)Nc4ccccc4OC,0.0
75408,CO-ADD:0229378,-7.06,c1(S(CCC)(=O)=O)c(C(c2ccccc2)=O)n3c(cccc3)c1S(CCC)(=O)=O,0.0
75409,CO-ADD:0227815,-7.06,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCCCCC,0.0
75410,CO-ADD:0231312,-7.06,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c3ccc(cc3C)C,0.0
75411,CO-ADD:0226973,-7.06,N1(c(ccs2)c2C(N3CC(C)C)=O)C3=NN(CC(NCCC(C)C)=O)C1=O,0.0
75412,CO-ADD:0225821,-7.06,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4ccc(cc4Br)C)=O,0.0
75413,CO-ADD:0226149,-7.06,S(=O)(=O)(N(Cc(cc1)ccc1C)c2cc(C)cc(C)c2)c3cccn(c(nn4)C)c34,0.0
75414,CO-ADD:0226173,-7.06,S(=O)(=O)(N(c(cc1)ccc1C(C)C)Cc2ccccc2C)c3cccn(c(nn4)C)c34,0.0
75415,CO-ADD:0219706,-7.06,N1(c2ccc(cc2)N=Nc(cc3)ccc3C)C(=O)c(c(cc(c4C5=O)C(N5c6ccc(cc6)N=Nc(cc7)ccc7C)=O)C1=O)c4,0.0
75416,CO-ADD:0221043,-7.06,C(=O)(c(cccc1C(=O)Nc(cc2)ccc2\C=C/c3ccccc3)c1)Nc(cc4)ccc4\C=C/c5ccccc5,0.0
75417,CO-ADD:0222499,-7.06,c1(c2cccc(I)c2)oc3c(ccc(c3)\N=C\c4cccc(I)c4O)n1,0.0
75418,CO-ADD:0221604,-7.06,C(C(OC)=O)(=C(C)OC(=C1C#N)N)C1c2cccc(c2)OCc3ccccc3,0.0
75419,CO-ADD:0221636,-7.06,C(NCCCCCCCCCCNC(=O)Nc1ccccc1OC)(=O)Nc2ccccc2OC,0.0
75420,CO-ADD:0221712,-7.07,N1(CNc2ccc(cc2C)I)C(=O)\C(\SC1=S)=C/c3cccc(F)c3,0.0
75421,CO-ADD:0221933,-7.07,N1(c(cc2)ccc2N(C)C)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
75422,CO-ADD:0220593,-7.07,c1(OCC(=O)N\N=C\c(cc2OC)cc(c2O)OC)c(Br)cc(cc1Br)Br,0.0
75423,CO-ADD:0220740,-7.07,C(CNc(cc1)ccc1C)(=O)N\N=C\c(ccc(c2OCC)O)c2,0.0
75424,CO-ADD:0219574,-7.07,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\NC(COc3ccccc3C)=O,0.0
75425,CO-ADD:0222647,-7.07,N1(C(C)=O)C2(CCCC2)OC(c3cccc(Cl)c3)=N1,0.0
75426,CO-ADD:0221191,-7.07,c1(C#N)c(CC(C)(C)OC2)c2c(nc1N(CC3)CCO3)CC,0.0
75427,CO-ADD:0220830,-7.07,c(Nc1ccccc1)(nc(N\N=C(/C)\c2ccc(cc2)Br)nc3Nc(cc4)ccc4OC)n3,0.0
75428,CO-ADD:0220810,-7.07,c1(N(CC2)CCO2)nc(N\N=C\c(cccc3[N+](=O)[O-])c3O)nc(Nc(cc4)ccc4C)n1,0.0
75429,CO-ADD:0222775,-7.07,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C\c(cccc4OC(=O)c5ccco5)c4,0.0
75430,CO-ADD:0219478,-7.07,C(=O)(N\N=C\c(cc1)ccc1O)CN(C)c2ccccc2,0.0
75431,CO-ADD:0219617,-7.07,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CCC(=O)Nc2ccc(cc2C)I)=O,0.0
75432,CO-ADD:0220656,-7.07,C(=N/NC(=O)c1ccccc1Cl)(/C2=O)\c(cc(Br)cc3C)c3N2,0.0
75433,CO-ADD:0219017,-7.07,N(c1ccccc1)(CCN2c3ccccc3)C2CO,0.0
75434,CO-ADD:0219000,-7.07,c1(C(=O)N\N=C\c2ccccc2[N+](=O)[O-])c(O)cc(c3c1)cccc3,0.0
75435,CO-ADD:0221315,-7.07,C(/S\C(\C1=O)=C\c2ccc(C)o2)(=N/C(C)=O)\N1,0.0
75436,CO-ADD:0221842,-7.08,c1(C#N)c(c2ccccc2)cc(nc1SCC(OCc3ccccc3)=O)c4ccccc4,0.0
75437,CO-ADD:0221829,-7.08,S(=O)(=O)(Nc(cc1)ccc1SCCCCCCCCCCCCCCCC)c2ccccc2[N+](=O)[O-],0.0
75438,CO-ADD:0225920,-7.08,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc(cc4)ccc4C(C)=O)C2=O,0.0
75439,CO-ADD:0236408,-7.08,C(=O)(c1ccc(cc1)C)c(cccc2C(=O)c3ccc(cc3)C)c2,0.0
75440,CO-ADD:0234487,-7.08,C(=N\c(cc1)ccc1N(C)C(C)=O)(/C2=O)\c3c(N2)ccc(C)c3Br,0.0
75441,CO-ADD:0236373,-7.08,N(C(=O)\C(\S1)=C\c2cccc(Br)c2)=C1N(CC3)CCO3,0.0
75442,CO-ADD:0236358,-7.08,n12c(ccc(N\N=C\c(ccc(c3OC)OC)c3)n1)nnc2C(F)(F)F,0.0
75443,CO-ADD:0229804,-7.08,c12c(cc(cccc3)c3c1)NC(C(CC)C2Nc(ccc(c45)cccc4)c5)CCC,0.0
75444,CO-ADD:0234996,-7.08,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(COc3c(C)cccc3C)=O)o1,0.0
75445,CO-ADD:0233546,-7.08,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(COc3ccc(cc3Cl)Cl)=O,0.0
75446,CO-ADD:0234868,-7.08,C(=O)(Oc1cccc(c1)\C=N\NC(c(cc2)ccn2)=O)c3ccccc3Cl,0.0
75447,CO-ADD:0234285,-7.08,C(=O)(NCC(=O)N\N=C\c(cc(OCO1)c1c2)c2Cl)c3ccc(c(OC)c3)OC,0.0
75448,CO-ADD:0234174,-7.08,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(COc3cc(C)ccc3C(C)C)=O)Br,0.0
75449,CO-ADD:0227468,-7.08,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccccc3Cl)=C/c4cccs4,0.0
75450,CO-ADD:0231258,-7.08,C(=O)(Nc1ccccc1)\C(\C)=C\c2cccc(OC)c2,0.0
75451,CO-ADD:0227541,-7.08,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(COc3cc(C)ccc3C(C)C)=O,0.0
75452,CO-ADD:0231229,-7.08,C(=O)(c1ccc(cc1)CSc(cc2)ccc2Cl)Nc3cccc(C)c3,0.0
75453,CO-ADD:0229290,-7.08,C(=C\N(C)C)(/C1=O)\C(=O)c(c12)cccc2,0.0
75454,CO-ADD:0225758,-7.08,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc4cc(C)ccc4C)=O,0.0
75455,CO-ADD:0225384,-7.09,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc5ccccc5C(F)(F)F,0.0
75456,CO-ADD:0226160,-7.09,S(=O)(=O)(N(Cc1cccc(C)c1)c2ccc(cc2)CC)c3cccn(c(nn4)C)c34,0.0
75457,CO-ADD:0225400,-7.09,C1(=N2)N(C=Cn(nc(c3ccc(cc3)F)c4)c14)C(N2CC(=O)Nc5ccccc5)=O,0.0
75458,CO-ADD:0221731,-7.09,C(F)(F)(F)c1ccccc1NC(=O)Nc2c(Cl)cc(c(F)c2)F,0.0
75459,CO-ADD:0221747,-7.09,C(CSCC(=O)Nc1ccccc1)(=O)N\N=C\c2cccc(OC)c2OC,0.0
75460,CO-ADD:0221753,-7.09,C(NCCOc1ccccc1F)(=O)Nc(cc2)ccc2Br,0.0
75461,CO-ADD:0221793,-7.09,N(=C\c(ccc(c1Br)OC)c1)/Nc2ccccn2,0.0
75462,CO-ADD:0219038,-7.09,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccc(cc3OC)OC,0.0
75463,CO-ADD:0219034,-7.09,C(=O)(c1c(C2=O)c(ccc1SCC)C)O2,0.0
75464,CO-ADD:0221808,-7.09,C(Cl)(Cl)(Cl)C(O)c1ccc(cc1)OC,0.0
75465,CO-ADD:0219386,-7.09,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CCC(=O)Nc2cccc(Cl)c2)=O,0.0
75466,CO-ADD:0219378,-7.09,C(CCC(=O)N\N=C\c(ccc(c1OC)OC)c1)(=O)Nc2cccc(Cl)c2,0.0
75467,CO-ADD:0222540,-7.09,c(\C=N\NC(CNC(=O)c1cccc(F)c1)=O)(cc(Br)cc2Br)c2O,0.0
75468,CO-ADD:0222558,-7.09,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(=O)Nc2ccccc2F,0.0
75469,CO-ADD:0222538,-7.09,[N+](=O)([O-])c1c(Cl)ccc(c1)\N=C\c(ccc(c2Cl)OC)c2,0.0
75470,CO-ADD:0219701,-7.1,C(COc1ccc(cc1Cl)Cl)(=O)N\N=C\c(ccc(c2Br)OC)c2,0.0
75471,CO-ADD:0219521,-7.1,C(/O)(\c1ccc(cc1)Br)=C/C=N/c2ccccc2OC,0.0
75472,CO-ADD:0219499,-7.1,C(NN)(=O)C(Cc1ccccc1)NC(CC)=O,0.0
75473,CO-ADD:0221860,-7.1,N1(CNc2ccccc2)C(=O)\C(\SC1=O)=C/c3ccc(C)o3,0.0
75474,CO-ADD:0222337,-7.1,n1c2c(oc1c3ccc(cc3)\N=C\c4c(O)cc(c(Cl)c4C)C)ccc(Cl)c2,0.0
75475,CO-ADD:0219208,-7.1,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c2ccc(cc2)OCCC,0.0
75476,CO-ADD:0220823,-7.1,c(Nc1ccccc1)(nc(N\N=C\c2cccc(Cl)c2)nc3Nc(cc4)ccc4OC)n3,0.0
75477,CO-ADD:0220815,-7.1,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])Oc(cc2)ccc2\C=N/NC(=O)CN(CC3)CCN3CC(=O)N\N=C/c(cc4)ccc4OS(=O)(=O)c(cc5)ccc5[N+](=O)[O-],0.0
75478,CO-ADD:0222763,-7.1,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4ccco4,0.0
75479,CO-ADD:0220384,-7.1,C(=O)(c1cccc(C)c1)Nc(cc2)ccc2C(=O)Nc(cc3)ccc3C(=O)Nc(cc4)ccc4OC,0.0
75480,CO-ADD:0220826,-7.1,c(Nc1ccccc1)(nc(N\N=C\c2cc(Cl)ccc2O)nc3Nc(cc4)ccc4OC)n3,0.0
75481,CO-ADD:0230960,-7.1,C(=C/c(cc1)cc(c1OC(C)=O)OC)(/NC(c2ccccc2)=O)\C(=O)Nc3ccccc3C,0.0
75482,CO-ADD:0234819,-7.1,c1(c(Br)cc(cc1\C=N\NC(CNc(cc2)ccc2C)=O)Br)OC(c3ccccc3)=O,0.0
75483,CO-ADD:0236250,-7.1,c(cc(c1N(C(C(=O)c2ccc(cc2)F)[C@@]([C@@]34[H])([H])[C@H](C5)O[C@H](O5)C3=O)C46[H])C=C6)cc1,0.0
75484,CO-ADD:0236547,-7.1,c1(C#N)c(SCc(cc2)ccc2F)nc(cc1c3ccccc3F)c4ccccc4,0.0
75485,CO-ADD:0237174,-7.1,CN(c1ccc(F)cc1)S(=O)(=O)c2ccc(Cl)c(c2)C(=O)Nc3cccc(C)n3,0.0
75486,CO-ADD:0237255,-7.1,Cc1cc(C)nc(n1)n2nc(C)cc2Nc3ccccc3,0.0
75487,CO-ADD:0234603,-7.1,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(COc3c(C)cccc3C)=O)Br,0.0
75488,CO-ADD:0234670,-7.1,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2cccc(F)c2)=O)Br)OC(=O)c3cccc(F)c3,0.0
75489,CO-ADD:0234666,-7.1,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)Br)OC(=O)c4cccc(Br)c4,0.0
75490,CO-ADD:0234658,-7.11,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccco2)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
75491,CO-ADD:0234518,-7.11,c1(\C=N\NC(COc(ccc(c23)cccc2)c3)=O)c4c(cccc4)cc(Br)c1O,0.0
75492,CO-ADD:0234143,-7.11,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccccc3I)OC)=C\c4cccs4,0.0
75493,CO-ADD:0236092,-7.11,c1(ccc[nH]1)\C=N\NC(CCc2ccccc2)=O,0.0
75494,CO-ADD:0236076,-7.11,C1(C(=O)N\N=C\c2ccc(Br)s2)CC1c3ccccc3,0.0
75495,CO-ADD:0233163,-7.11,S1(=O)(=O)c(cccc2)c2C(=O)C1,0.0
75496,CO-ADD:0234645,-7.11,c1(oc(c2n1)ccc(c2)\N=C\c3cccc(OC)c3O)c4c(O)cc(c5c4)cccc5,0.0
75498,CO-ADD:0229916,-7.11,S(N)(=O)(=O)c1ccc(cc1)\N=C\c(cc2)ccc2[N+](=O)[O-],0.0
75499,CO-ADD:0229548,-7.11,c1(cc(ccc1C(O)=O)Oc2ccccc2NC(=O)c3ccc(cc3)Oc(cc4)ccc4C(=O)Nc5ccccc5Oc(ccc(c6C(O)=O)C(O)=O)c6)C(O)=O,0.0
75500,CO-ADD:0231236,-7.11,S(=O)(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2cccc(O)c2)c(ccc(c3[N+](=O)[O-])C)c3,0.0
75501,CO-ADD:0231350,-7.11,C(c1ccccc1)(=O)N\N=C\c2ccccc2OC(=O)\C=C\c3ccccc3,0.0
75502,CO-ADD:0227601,-7.11,C(=O)(C(c1ccccc1)c2ccccc2)NCC(=O)N\N=C/c3ccc(cc3O)C,0.0
75503,CO-ADD:0229306,-7.12,S(=O)(=O)(Nc1ccc(cc1C(=O)Nc(cc2)cc(c2Oc3ccc(c4c3Cl)cccc4)Cl)Cl)c5cccc(nsn6)c56,0.0
75504,CO-ADD:0225432,-7.12,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(ccc(c5Cl)OC)c5)=O,0.0
75505,CO-ADD:0225438,-7.12,C1(=N2)N(C=Cn(nc(c3ccc(c(C)c3)C)c4)c14)C(N2CC(=O)Nc(cc(C)cc5C)c5)=O,0.0
75506,CO-ADD:0225387,-7.12,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc5cccc(Cl)c5C,0.0
75507,CO-ADD:0225788,-7.12,C1(=N2)N(C=CN=C1SC3CCCCC3)C(N2CC(=O)Nc(cc4)ccc4C(OCC)=O)=O,0.0
75508,CO-ADD:0226368,-7.12,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(=O)Nc(cc4)ccc4F)=O,0.0
75509,CO-ADD:0219027,-7.12,C1(C#N)=C(COC)C=C(NC1=O)C,0.0
75510,CO-ADD:0221352,-7.12,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc4cccc(Cl)c4C,0.0
75511,CO-ADD:0219040,-7.12,c1(c(C)cc(c(\C=N\NC(N)=O)c1C)C)Cc2c(C)cc(c(\C=N\NC(N)=O)c2C)C,0.0
75512,CO-ADD:0221227,-7.12,N1(c2c(OC1=O)cccc2)CN(C)C3CCCCC3,0.0
75513,CO-ADD:0221634,-7.12,[N+](=O)([O-])c1c(NCCCN)ccc(Cl)c1.Cl,0.0
75514,CO-ADD:0221650,-7.12,C(=O)(Oc1cccc(C)c1)Nc(cc2)ccc2I,0.0
75515,CO-ADD:0222131,-7.12,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c(cc(Cl)cc5I)c5O,0.0
75516,CO-ADD:0222824,-7.12,C(/C(OCC)=O)(\C(OCC)=O)=C/Nc(cc(C)cc1C)c1,0.0
75517,CO-ADD:0220735,-7.12,c1(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)cc(C)ccc1O,0.0
75518,CO-ADD:0220160,-7.12,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c2cccc(O)c2,0.0
75519,CO-ADD:0222361,-7.12,n1c2c(oc1c3cccc(c3)\N=C\c(ccc(c4[N+](=O)[O-])Cl)c4)cc(C)c(C)c2,0.0
75520,CO-ADD:0222508,-7.13,n1c(ccc(c2)\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)c2oc1c4ccc(cc4)OC,0.0
75521,CO-ADD:0237176,-7.13,Clc1ccc(cc1)S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N4CCCCC4,0.0
75522,CO-ADD:0237349,-7.13,NS(=O)(=O)c1cncc(c1)c2ccc3nccc(c4cn[nH]c4)c3n2.Cl.Cl.Cl,0.0
75523,CO-ADD:0231492,-7.13,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3Cl)OC)c3)c4ccc(cc4Cl)F,0.0
75524,CO-ADD:0237177,-7.13,FC(F)(F)c1nnc2ccc(Cl)nn12,0.0
75525,CO-ADD:0234837,-7.13,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2c(C)cccc2C)=O)c3cccc(F)c3,0.0
75526,CO-ADD:0229417,-7.13,N(\C(\C(O1)=O)=C/c2c3c(cccc3)cc(cccc4)c24)=C1c(ccc(c5[N+](=O)[O-])C)c5,0.0
75527,CO-ADD:0236638,-7.13,c1(C#N)c(SCC(=O)NC(C)(C)C)nsc1SCC(=O)NC(C)(C)C,0.0
75528,CO-ADD:0231469,-7.13,C1(COc(c2O1)cccc2)C(=O)N\N=C/c3cc(Br)cc(Br)c3OC(c4ccccc4)=O,0.0
75529,CO-ADD:0231543,-7.13,C(=O)(c1ccccc1I)Oc2c(Br)cc(cc2\C=N\NC(COc3ccccc3C)=O)Br,0.0
75530,CO-ADD:0231095,-7.13,C(OCc1ccccc1)(=O)NCC(NCC)=O,0.0
75531,CO-ADD:0233295,-7.13,c12c(ccc(OC)c1C)\C(\CCC2)=N/OC(=O)c3ccccc3OC,0.0
75532,CO-ADD:0236818,-7.13,C(C#N)(C1c2ccc(cc2)Br)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
75533,CO-ADD:0233495,-7.13,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(=O)\C(=C/c(cc3)ccc3N(CC)CC)\NC(c4ccccc4)=O,0.0
75534,CO-ADD:0233450,-7.13,c(cc(Br)cc1Cl)(\C=N\c2cccc(C)c2)c1O,0.0
75535,CO-ADD:0233118,-7.13,N1C(=O)c2c(cc(cc2)NC(=O)c3ccco3)C1=O,0.0
75536,CO-ADD:0236286,-7.13,c1(SCC(=O)c2cccc(cccc3)c23)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
75537,CO-ADD:0227686,-7.13,S(=O)(=O)(c(cccn1)c1)Nc2ccc(cc2C(=O)Nc(cc3)ccc3Cl)Cl,0.0
75538,CO-ADD:0234760,-7.13,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(NCCSc(cc3)ccc3Cl)=O,0.0
75539,CO-ADD:0234967,-7.13,c1(ccc(C(=O)Oc2ccc(cc2\C=N/NC(COc3ccccc3C#N)=O)Br)o1)[N+](=O)[O-],0.0
75540,CO-ADD:0229300,-7.13,S(=O)(=O)(CCC(=O)NC(C1)(C2)CC(CC2C3)CC13)c4ccc(cc4)C,0.0
75541,CO-ADD:0227211,-7.14,c(cc(Br)cc1Br)(\C=N\c2cc(CC)ccc2O)c1O,0.0
75542,CO-ADD:0227912,-7.14,c12c(sc(SC)n1)c(nc(N)n2)N.Cl,0.0
75543,CO-ADD:0227880,-7.14,S(NCCNc1ccc(cc1[N+](=O)[O-])Cl)(c2ccccc2)(=O)=O,0.0
75544,CO-ADD:0229558,-7.14,n1c(ccc(C#N)c1SCc2ccccc2)c(cccn3)c3,0.0
75545,CO-ADD:0227173,-7.14,c1(cc(Br)cc(\C=N\c2cc(ccc2O)Cc(ccc(c3\N=C\c(cc(Br)cc4[N+](=O)[O-])c4O)O)c3)c1O)[N+](=O)[O-],0.0
75546,CO-ADD:0226153,-7.14,S(=O)(=O)(N(Cc1ccccc1F)c2cc(C)cc(C)c2)c3cccn(c(nn4)C)c34,0.0
75547,CO-ADD:0226898,-7.14,c12n(c3c(cccc3)nc1SCC(=O)Nc(cc4)ccc4CCCC)c(nn2)CC,0.0
75548,CO-ADD:0226930,-7.14,C1(=N2)N(c3c(cccc3)N=C1Sc4cccc(C)c4)C(N2CC(=O)Nc5c(C)cc(cc5C)C)=O,0.0
75549,CO-ADD:0226938,-7.14,C1(=N2)N(c3c(cccc3)N=C1Sc4cccc(OC)c4)C(N2CC(=O)Nc5c(C)cc(cc5C)C)=O,0.0
75550,CO-ADD:0221414,-7.14,[N+](=O)([O-])c1ccccc1C(=O)N\N=C(/C(C)C)\c2ccccc2,0.0
75551,CO-ADD:0221245,-7.14,C(/C1)(\c2c(C1)cc(OC)cc2)=N/c3ccc(cn3)Br,0.0
75552,CO-ADD:0221778,-7.15,C(=O)(Nc(cc1)ccc1Br)NC(c2ccccc2)c3ccccc3,0.0
75553,CO-ADD:0219063,-7.15,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)NC(CSCc2ccccc2)C(=O)N\N=C\c(cc3)ccc3Br)c1,0.0
75554,CO-ADD:0221331,-7.15,N(\C(=C/c(cccc1Oc2ccccc2)c1)\C(O3)=O)=C3c4ccc(cc4)Br,0.0
75555,CO-ADD:0221202,-7.15,n1c2c(cccc2)ccc1SCC(=O)N\N=C\c3cc(OC)ccc3O,0.0
75556,CO-ADD:0219361,-7.15,C(CCC(NCC=C)=O)(=O)Nc(cc1)ccc1OC,0.0
75557,CO-ADD:0219357,-7.15,C(F)(F)(C(F)F)Oc1ccccc1NC(=O)C(=O)N\N=C\c2cccc(OC)c2O,0.0
75558,CO-ADD:0219335,-7.15,C(=O)(C\C(\C)=N\NC(CCCC)=O)Nc1ccccc1C,0.0
75559,CO-ADD:0219327,-7.15,[n+]1(c2c(O)ccc(cccc3)c23)nc(c4[n-]1)non4,0.0
75560,CO-ADD:0222308,-7.15,c1(Nc(cc2)ccc2[N+](=O)[O-])nc(N\N=C\c3c(cccc3Cl)Cl)nc(NCc4ccccc4)n1,0.0
75561,CO-ADD:0233251,-7.15,C(CSCc1ccccc1)(=O)Nc(cc2)ccc2I,0.0
75562,CO-ADD:0236766,-7.15,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc(ccc(c2Cl)Cl)c2)c3ccc(cc3OC)OC,0.0
75563,CO-ADD:0234873,-7.15,c1(c(Br)cc(cc1\C=N\NC(CNc2ccccc2C)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
75564,CO-ADD:0231070,-7.16,C(=O)(Oc(cc1)ccc1\C=N\c2ccccc2)\C=C\c(cc3)ccc3Br,0.0
75565,CO-ADD:0230942,-7.16,S(c1ccccc1)(=O)(=O)N(CC(NCCc(cc2)ccc2F)=O)c3ccc(cc3OC)OC,0.0
75566,CO-ADD:0234826,-7.16,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(c2)c(ccc2[N+](=O)[O-])OC(=O)c3cccc(Br)c3,0.0
75567,CO-ADD:0231795,-7.16,c1(oc(c2n1)ccc(c2)\N=C\c3ccccc3[N+](=O)[O-])c4cccc(Cl)c4Cl,0.0
75568,CO-ADD:0227309,-7.16,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C/c3ccccc3\C=N/NC(=O)Cc4ccc(c(cccc5)c45)Br,0.0
75569,CO-ADD:0231823,-7.16,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3C(OC)=O)c4ccc(cc4Cl)Cl,0.0
75570,CO-ADD:0231387,-7.16,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C/c(ccc(c3OC)O)c3,0.0
75571,CO-ADD:0228010,-7.16,n1c2c(oc1c3cccc(Br)c3)ccc(c2)\N=C\c4cc(I)ccc4O,0.0
75572,CO-ADD:0227758,-7.16,C(CNc(cc1)ccc1OC)(=O)N\N=C\c2cccc(Br)c2,0.0
75573,CO-ADD:0233542,-7.16,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)cc(c3OC(c4ccccc4)=O)OC,0.0
75574,CO-ADD:0233553,-7.16,c1(\C=N\NC(COc2ccc(cc2Cl)Cl)=O)cc(Cl)ccc1OC,0.0
75575,CO-ADD:0229061,-7.16,c1(c(OC)cc(c2c1)cccc2)C(=O)N\N=C\c(c(OCC=C)ccc3[N+](=O)[O-])c3,0.0
75576,CO-ADD:0233748,-7.16,n1nc(oc1C(CC2)CCN2C(CCc3ccccc3)=O)C,0.0
75577,CO-ADD:0236484,-7.16,C(/CC1C)(=N/NC(=O)Cc2cccc(cccc3)c23)\c4c(C1)cc(OC)cc4,0.0
75578,CO-ADD:0234066,-7.16,N#Cc(cc1)ccc1c2ccc(cc2)OCCCCCCC,0.0
75579,CO-ADD:0236898,-7.16,C(=O)(NCc1cccc(c1)CNC(=O)C(=O)NCc2ccco2)C(=O)NCc3ccco3,0.0
75580,CO-ADD:0227154,-7.17,C(=O)(Oc(cc1)ccc1\C=N/NC(COc2cccc(Cl)c2)=O)c3ccccc3Cl,0.0
75581,CO-ADD:0227284,-7.17,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc(ccc(c23)cccc2)c3)=O)O)c1,0.0
75582,CO-ADD:0228004,-7.17,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C/C=C/c3ccco3,0.0
75583,CO-ADD:0227174,-7.17,N(=C\c1cc(Br)ccc1O)/c2cc(ccc2O)Cc(ccc(c3\N=C\c4cc(Br)ccc4O)O)c3,0.0
75584,CO-ADD:0229610,-7.17,c1(Nc2ccccc2OC)c(c(C)nc(Nc(cc3)ccc3OCC)n1)[N+](=O)[O-],0.0
75585,CO-ADD:0227855,-7.17,c1(N(CC2)CCO2)nc(N\N=C\c(cc(Cl)cc3Br)c3O)nc(Nc(cccc4C(F)(F)F)c4)n1,0.0
75586,CO-ADD:0225818,-7.17,C1(=N2)N(C=CN=C1Sc3ccc(cc3C)C)C(N2CC(=O)Nc4c(C)ccc(Cl)c4)=O,0.0
75587,CO-ADD:0226951,-7.17,c12n(c(nn1)CCC(=O)Nc(cc3)ccc3OC(F)(F)F)c(c4C(=O)N2CCCC)ccs4,0.0
75588,CO-ADD:0226135,-7.17,S(=O)(=O)(N(Cc(cc1)ccc1C)c2ccc(cc2)CC)c3cccn(c(nn4)CC)c34,0.0
75589,CO-ADD:0226180,-7.17,S(=O)(=O)(N(Cc1cccc(OC)c1)c2ccc(c(F)c2)F)c3cccn(c(nn4)C)c34,0.0
75590,CO-ADD:0221379,-7.17,N(\C(=C/c(cc1)ccc1C)\C(O2)=O)=C2c3ccc(cc3)OC,0.0
75591,CO-ADD:0221330,-7.17,N1(NC(=C(\C=N/CCCCC)C1=O)C)c2c(F)c(F)c(c(F)c2F)F,0.0
75592,CO-ADD:0219071,-7.17,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3Sc(cc4)ccc4\N=C\c(cc5)ccc5OC(=O)c(cc(cc6[N+](=O)[O-])[N+](=O)[O-])c6)c1,0.0
75593,CO-ADD:0221597,-7.17,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc(cc4)ccc4C(C)=O)n2,0.0
75594,CO-ADD:0219050,-7.17,C(=C\c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4Br)cc(c4O)Br,0.0
75596,CO-ADD:0222575,-7.17,N1(C(CCC)=O)c(ccc(c2)Cl)c2OC1=S,0.0
75597,CO-ADD:0222673,-7.17,C12(CC3CC(CC(C3)C1)C2)C(=O)NCc(cc4)ccc4Cl,0.0
75598,CO-ADD:0222791,-7.17,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNC(=O)C(c2ccccc2)c3ccccc3)=O)c4ccco4,0.0
75599,CO-ADD:0222135,-7.17,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c5cc(Cl)ccc5O,0.0
75600,CO-ADD:0232948,-7.18,c1(c(O)ccc(cccc2)c12)C(c3ccccc3)CC(=O)NCC(C)C,0.0
75601,CO-ADD:0234407,-7.18,N1(C(=O)c(c2C1=O)ccc(c2)C(O3)=Nc(c4C3=O)ccc(C)c4)N5C(=O)c6c(cccc6)C5=O,0.0
75602,CO-ADD:0231427,-7.18,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4ccccc4,0.0
75603,CO-ADD:0234823,-7.18,c1(c(Br)cc(cc1\C=N\NC(CNc2cccc(C)c2)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
75604,CO-ADD:0232952,-7.18,N1(NC(=O)c2ccc(cc2)C)C(=O)C(C3C1=O)C(C=C4)C5(C34)CC5,0.0
75605,CO-ADD:0232954,-7.18,C(=C/c1ccccc1OC)(/C(=O)NC(N2)=S)\C2=O,0.0
75606,CO-ADD:0231003,-7.18,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2ccccc2\C=N/NC(=O)c3ccc(cc3)OC)c1,0.0
75607,CO-ADD:0236592,-7.18,C1(C#N)=C(N)OC(=C2C1c3c(Cl)ccc(c3)[N+](=O)[O-])CCCC2=O,0.0
75608,CO-ADD:0233643,-7.18,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C\c(cc(Br)cc4Cl)c4O,0.0
75609,CO-ADD:0233170,-7.18,c12c(c(ccc1NC(=O)c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3)C)nsn2,0.0
75610,CO-ADD:0233179,-7.18,n1(CN(CC2)CCN2Cn3c4c(nn3)cccc4)c5c(nn1)cccc5,0.0
75611,CO-ADD:0234160,-7.18,n1c2c(oc1c3cccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)cccc2C,0.0
75612,CO-ADD:0234358,-7.18,N1(CCc2c3c([nH]c2C(OCC)=O)ccc(Cl)c3)C(=O)c(c4C1=O)cccc4,0.0
75613,CO-ADD:0234234,-7.19,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cccc2OC(=O)c3cccc(Br)c3)c2,0.0
75614,CO-ADD:0234197,-7.19,c(\C=N\NC(COc(ccc(c1C)C)c1)=O)(cc(I)cc2I)c2O,0.0
75615,CO-ADD:0233147,-7.19,c12c(C(NC(=O)N1C)=O)n(c(SCC(c3ccccc3)=O)n2)Cc4ccccc4,0.0
75616,CO-ADD:0233114,-7.19,c1(c(N)ccc(C(=O)c(ccc(c2C(=O)Oc3ccccc3)N)c2)c1)C(=O)Oc4ccccc4,0.0
75617,CO-ADD:0234432,-7.19,N(CC(=O)c1ccc(cc1)Cl)(c(cccc2)c2C34OCCO3)C4=O,0.0
75618,CO-ADD:0227465,-7.19,c1(NCC(=O)N\N=C\c2cccc(Br)c2)c(Br)cc(cc1Br)Cl,0.0
75619,CO-ADD:0227159,-7.19,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc2ccccc2Cl,0.0
75620,CO-ADD:0227333,-7.19,C(CNc1cccc(cccc2)c12)(=O)N\N=C\c(ccc(c3O)O)c3,0.0
75621,CO-ADD:0231219,-7.19,c1(ccc(cc1Cl)Cl)C(=O)N\N=C(\CCC)/c2ccc(cc2)OCC,0.0
75622,CO-ADD:0231213,-7.19,S(=O)(=O)(c1ccc(cc1)C)Oc2ccccc2\C=N\c(cc3)ccc3O,0.0
75623,CO-ADD:0231198,-7.19,N(=C\c(ccc(c1OC)C)c1)/NC(CCCc(ccc(c2C)OC)c2)=O,0.0
75624,CO-ADD:0225909,-7.19,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc(c4)cc(cc4C)C)C2=O,0.0
75625,CO-ADD:0226325,-7.19,N1(C2=O)C(C=C(N=C1Nc(cc(C)cc3C)c3)C)=NN2CC(=O)Nc4c(F)ccc(F)c4,0.0
75626,CO-ADD:0225213,-7.19,N1(c(cccc2)c2C(N3CCC(=O)NC(C)CC)=O)C3=NN(CC(=O)NCc4cccs4)C1=O,0.0
75627,CO-ADD:0226373,-7.2,C1(=N2)N(C=CC(Nc(cc3)ccc3F)=N1)C(N2CC(=O)NC(C)C)=O,0.0
75628,CO-ADD:0225245,-7.2,N12C(C=CC(SC3CCCCC3)=N1)=NN(CC(=O)Nc4ccc(c(OC)c4)OC)C2=O,0.0
75629,CO-ADD:0220209,-7.2,C(CNc(cc1)ccc1C)(=O)N\N=C\c(cc2)ccc2\C=N\NC(CNc(cc3)ccc3C)=O,0.0
75630,CO-ADD:0220964,-7.2,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c(cc3)ccc3I,0.0
75631,CO-ADD:0219368,-7.2,C(CCC(=O)N\N=C\c1cccc(I)c1)(=O)Nc2cccc(Cl)c2,0.0
75632,CO-ADD:0222246,-7.2,c1(c(Br)cc(cc1\C=N\NC(CNc2cccc(cccc3)c23)=O)Br)OC(c4ccccc4)=O,0.0
75633,CO-ADD:0219135,-7.2,C(=O)(N\N=C\c1c(cccc1Cl)Cl)C(=O)Nc2cccc(F)c2,0.0
75634,CO-ADD:0236732,-7.2,n1(nc[nH]2)c2nnc1\N=C\c(cc3)ccc3F,0.0
75635,CO-ADD:0231055,-7.2,S(=O)(=O)(c1ccc(cc1)C)N2CCCC2C(=O)N\N=C\c3cccc(OC)c3,0.0
75636,CO-ADD:0234577,-7.2,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(ccc(c2C)C)c2)=O)c3cccc(F)c3,0.0
75637,CO-ADD:0236215,-7.2,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)OC(CCC)=C2C(OCC)=O,0.0
75638,CO-ADD:0231458,-7.2,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c(cc4OC)cc(c4OC)OC,0.0
75639,CO-ADD:0236875,-7.2,C1(C(=O)OCC(=O)c2ccc(cc2)I)=Cc3c(OC1=O)cccc3,0.0
75640,CO-ADD:0229830,-7.2,N(C(C)C(N1c2ccc(c(Cl)c2)Cl)=O)(c3nc(OC)nc(N(C)C)n3)C1=N,0.0
75641,CO-ADD:0231489,-7.21,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3C(OC)=O)c4ccc(cc4Cl)F,0.0
75642,CO-ADD:0234582,-7.21,N(\C(=C/c1ccc(cc1Cl)Cl)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
75643,CO-ADD:0236582,-7.21,N12C(S\C(=C/c(cc3)ccc3F)\C1=O)=C(C(c4ccc(cc4)F)C(C(OCC)=O)=C2N)C#N,0.0
75644,CO-ADD:0234605,-7.21,N(\C(=C/c1ccc(cc1OC)OC)\C(O2)=O)=C2c(ccc(c3[N+](=O)[O-])C)c3,0.0
75645,CO-ADD:0236803,-7.21,c1(C#N)c2c(sc1\N=C\c3c(cccc3Cl)F)CCC2,0.0
75646,CO-ADD:0234458,-7.21,N(c1cccc(Cl)c1)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
75647,CO-ADD:0235979,-7.21,c1(nonc1N)\C(=N\OCc(cc2)ccc2OC)\Nc(cc3)ccc3C,0.0
75648,CO-ADD:0234872,-7.21,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(ccc(c2C)C)c2)=O)c3ccccc3Cl,0.0
75649,CO-ADD:0233190,-7.21,n1c(c2)c(sc1N)ccc2[N+](=O)[O-],0.0
75650,CO-ADD:0233614,-7.21,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2CCO)Cl,0.0
75651,CO-ADD:0233132,-7.21,c1(ccc(cc1Cl)Cl)C(=O)Nc(cc2)ccc2C(OCC)=O,0.0
75652,CO-ADD:0227679,-7.21,c1(nc(c2n1CC(=O)N\N=C\c(cccc3[N+](=O)[O-])c3O)cccc2)c4nonc4N,0.0
75653,CO-ADD:0229071,-7.21,C(=O)(c1ccc(cc1)OC)Nc(cccc2C(=O)N\N=C\c(cc(I)cc3I)c3O)c2,0.0
75654,CO-ADD:0227290,-7.21,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(ccc(c3OC)O)c3,0.0
75655,CO-ADD:0229566,-7.21,S(NCCCNc(cc1)ccc1[N+](=O)[O-])(=O)(=O)c2ccc(c3c2)cccc3,0.0
75656,CO-ADD:0229732,-7.21,[N+](=O)([O-])c1cc(ccc1O)\C=N\NC(COc2ccc(cc2Br)Cl)=O,0.0
75657,CO-ADD:0227524,-7.21,n1c2c(oc1c3cccc(I)c3)ccc(c2)\N=C\c4cc(Br)ccc4O,0.0
75658,CO-ADD:0227178,-7.22,c(cc(Cl)cc1Br)(\C=N\c2cc(ccc2O)Cc(ccc(c3\N=C\c(cc(Cl)cc4Br)c4O)O)c3)c1O,0.0
75659,CO-ADD:0231769,-7.22,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/C)\Nc2cccc(OC)c2)[N+](=O)[O-],0.0
75660,CO-ADD:0226222,-7.22,S(=O)(=O)(N(Cc1cccc(C)c1)c2ccc(cc2)OC)c(ccc3n4c(C)nn3)c4,0.0
75661,CO-ADD:0226314,-7.22,N1(C2=O)C(C=C(N=C1Nc(cc3)ccc3F)C)=NN2CC(=O)Nc4ccc(cc4C)F,0.0
75662,CO-ADD:0226267,-7.22,S(=O)(=O)(N(Cc(cc1)ccc1C)c2ccc(cc2)F)c(ccc3n4c(C)nn3)c4,0.0
75663,CO-ADD:0225891,-7.22,N12C(C=CC(c3ccc(cc3)C)=N1)=NN(CC(=O)Nc4c(OC)ccc(OC)c4)C2=O,0.0
75664,CO-ADD:0219803,-7.22,C(CCCc(ccc(c1C)OC)c1)(=O)Nc(cc2)ccc2C,0.0
75665,CO-ADD:0220891,-7.22,n1c(N(C)C)nc(nc1N(CC2)CCO2)N\N=C\c3ccc(cc3O)O,0.0
75666,CO-ADD:0222219,-7.22,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(CNc(ccc(c34)cccc3)c4)=O,0.0
75667,CO-ADD:0222394,-7.22,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\NC(=O)c3c(O)cc(c4c3)cccc4,0.0
75668,CO-ADD:0220487,-7.22,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2ccc(cc2)Br)N(CCCC)CC)c1,0.0
75669,CO-ADD:0219738,-7.22,C(/O)(\c1ccc(cc1)OC)=C/C=N/c2cccc(O)c2,0.0
75670,CO-ADD:0231209,-7.22,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc(cccc2C(=O)\C=C\c3ccccc3)c2)c1,0.0
75671,CO-ADD:0233509,-7.22,N(\C(=C/c(cc1)ccc1OCc2ccccc2)\C(O3)=O)=C3c(cc4)ccc4C(C)(C)C,0.0
75672,CO-ADD:0233069,-7.22,C1(c2ccccc2)(c3ccccc3)OC(CCl)=Nc(cccc4)c14,0.0
75673,CO-ADD:0234847,-7.23,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)OC(c3ccccc3)=O)c1,0.0
75674,CO-ADD:0231460,-7.23,N(=C\c(ccc(c1Cl)Cl)c1)/c2cc(C)ccc2O,0.0
75675,CO-ADD:0236175,-7.23,N1(c(cc2)ccc2C(O)=O)C(=O)C(CC1=O)SCC(=O)Nc(ccc(c34)cccc3)c4,0.0
75676,CO-ADD:0233436,-7.23,c(cc(Br)cc1Cl)(\C=N\c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c(cc(Br)cc4Cl)c4O)c1O,0.0
75677,CO-ADD:0231735,-7.23,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(cc(Br)cc4Br)c4O,0.0
75678,CO-ADD:0234119,-7.23,c12c(c3c(cccc3)[nH]1)nnc(N\N=C\c(ccc(c45)OCO4)c5)n2,0.0
75679,CO-ADD:0232826,-7.23,o1c(S)nnc1c(cccc2NC(N(C)C)=S)c2,0.0
75680,CO-ADD:0236733,-7.23,c12n(c(nn1)SC)ncn2\N=C\c(cc3)ccc3F,0.0
75681,CO-ADD:0233522,-7.23,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)cc(c3OC(=O)c4ccccc4Cl)OC,0.0
75682,CO-ADD:0235964,-7.23,c(CC(C(NCC)=O)NC(=O)OC(C)(C)C)(c1c([nH]2)cccc1)c2,0.0
75683,CO-ADD:0234719,-7.24,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C\c2ccccc2OC,0.0
75684,CO-ADD:0234955,-7.24,c1(cc(cc(OC)c1OCC(=O)N\N=C\c2ccccc2Cl)[N+](=O)[O-])[N+](=O)[O-],0.0
75685,CO-ADD:0229816,-7.24,c(C#N)(c(cccc1)c1n2C)c2CSCc3ccccc3,0.0
75686,CO-ADD:0231374,-7.24,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\Nc3ccccc3)o2)Cl)c1,0.0
75687,CO-ADD:0236895,-7.24,c1(cccs1)C(NCCOc(cc2)ccc2Cl)=O,0.0
75688,CO-ADD:0236080,-7.24,c1(Nc2ccccc2\N=C\c(cc3)ccc3OC)c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0.0
75689,CO-ADD:0236131,-7.24,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
75690,CO-ADD:0236049,-7.24,c1(NC(COC(=O)C(CC(C)C)NC(c2ccccc2)=O)=O)sc(c3c1C(OCC)=O)CCC3,0.0
75691,CO-ADD:0233334,-7.24,N1C(=O)NC(c2ccc(cc2)OCC(C)C)C1=O,0.0
75692,CO-ADD:0236528,-7.25,N1(c2ccc(cc2)O)C(=O)c3c(cc(cc3)Oc4cccc(c4)Oc(ccc(c5C6=O)C(N6c7ccc(cc7)O)=O)c5)C1=O,0.0
75693,CO-ADD:0231269,-7.25,S(c1ccccc1)(=O)(=O)Oc(cc2)ccc2\C=N\NC(=O)c3cccc(C)c3,0.0
75694,CO-ADD:0227312,-7.25,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c2cc(Br)ccc2OC(c3ccccc3)=O,0.0
75695,CO-ADD:0228015,-7.25,C(c1ccccc1)(=O)Oc2ccc(cc2OC)\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O,0.0
75696,CO-ADD:0227396,-7.25,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccc(c(OC)c2)OC)=O)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
75697,CO-ADD:0227380,-7.25,[N+](=O)([O-])c1ccc(cc1\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)O,0.0
75698,CO-ADD:0229258,-7.25,C(/C(=O)c(cccn1)c1)=C\N(CC2)CCO2,0.0
75699,CO-ADD:0226248,-7.25,S(=O)(=O)(N(Cc1cccc(F)c1)c2ccc(c3c2)OCCO3)c(ccc(n4c5)nn5)c4,0.0
75700,CO-ADD:0225912,-7.25,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc(cc4)ccc4CCCC)C2=O,0.0
75701,CO-ADD:0226304,-7.26,N1(C2=O)C(C=C(N=C1Nc3ccccc3C)C)=NN2CC(=O)Nc(ccc(c45)OCCO4)c5,0.0
75702,CO-ADD:0225192,-7.26,N12C(C=CC(C(=O)NCc(cc3)ccc3C)=C1)=NN(CC(=O)Nc(cc4)ccc4C(F)(F)F)C2=O,0.0
75703,CO-ADD:0225868,-7.26,C1(=N2)N(C=CN=C1SCc3ccccc3)C(N2CC(=O)Nc(ccc(c4C)C)c4)=O,0.0
75704,CO-ADD:0222335,-7.26,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3C)nc(Nc4cccc(cccc5)c45)n1,0.0
75705,CO-ADD:0220749,-7.26,C(CNc(cc1)ccc1C)(=O)N\N=C\c(ccc(c2O)O)c2,0.0
75706,CO-ADD:0220368,-7.26,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(CNc3cccc(C)c3)=O,0.0
75707,CO-ADD:0219162,-7.26,N(=C\c(cc1)ccc1I)/NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
75708,CO-ADD:0219082,-7.26,C(COC(CCCC(=O)Nc(cc1)ccc1C)=O)#C,0.0
75709,CO-ADD:0219506,-7.26,C(COC1=CCCC1)(=O)N\N=C\c2ccccc2Cl,0.0
75710,CO-ADD:0236570,-7.26,C1(C#N)=C(N)OC(=C2C1c3cccc(Cl)c3Cl)CCCC2=O,0.0
75711,CO-ADD:0236708,-7.26,C1(=C(C)NC(NC1=O)=O)S(=O)(=O)NCc(cccn2)c2,0.0
75712,CO-ADD:0234788,-7.26,c12c(nnc(SCC(=O)Nc3cccc(cccc4)c34)n1)c5c(cccc5)n2CC,0.0
75713,CO-ADD:0231092,-7.26,c1(Cl)cc(Cl)ccc1\C=N\NC(CCC(=O)Nc2cccc(Br)c2)=O,0.0
75714,CO-ADD:0232935,-7.26,c1(C#N)c2c(sc1\N=C\c(scc3[N+](=O)[O-])c3)CC(C)CC2,0.0
75715,CO-ADD:0229296,-7.26,C(=O)(N\N=C\c(cc1)ccc1OCCCCC)c2ccc(cc2)OCc3ccccc3,0.0
75716,CO-ADD:0227761,-7.26,c1(c(O)c(\C=N\c(ccc(c2n3)oc3c4ccccc4C)c2)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
75717,CO-ADD:0234385,-7.26,C(OCCCCCCCCOC(=O)Nc(cc1)ccc1Cl)(=O)Nc(cc2)ccc2Cl,0.0
75718,CO-ADD:0234388,-7.26,c1(Oc2ccccc2)nc(C)cc(COC)c1C#N,0.0
75719,CO-ADD:0234287,-7.26,c1(\C=N\NC(COc(ccc(c2C)C)c2)=O)cc(Br)ccc1O,0.0
75720,CO-ADD:0234146,-7.27,c1(oc(c2n1)ccc(c2)\N=C\c(cccc3Oc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c3)c5cc(Cl)ccc5Cl,0.0
75721,CO-ADD:0236491,-7.27,P(O)(=O)(CN(CC1)CCO1)CCN2CCCC2=O,0.0
75722,CO-ADD:0234067,-7.27,[N+](=O)([O-])c(ccc1c2[nH]cc1CN(C)C)c2,0.0
75723,CO-ADD:0231585,-7.27,N1(c2ccccc2OCC)C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(\C)/C,0.0
75724,CO-ADD:0233489,-7.27,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(=O)c(c3)cc(cn3)Br)o1,0.0
75725,CO-ADD:0234641,-7.27,C(=O)(c1ccc(cc1)Br)Oc(cc2)ccc2\C=N\c3ccc(cc3O)C,0.0
75726,CO-ADD:0229835,-7.27,C(/C(C)=NO1)(\C1=O)=C/c2ccccc2O,0.0
75727,CO-ADD:0234424,-7.27,c1(OC(=O)C=C2C)c2ccc(O)c1C(CC)=O,0.0
75728,CO-ADD:0236899,-7.27,C(=O)(Nc(cc1)ccc1Cl)C(NCCOc2ccccc2)=O,0.0
75729,CO-ADD:0227076,-7.27,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Nc2cc(C)ccc2OC,0.0
75730,CO-ADD:0227085,-7.27,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)OC(C)=C2C(c4ccccc4)=O,0.0
75731,CO-ADD:0229198,-7.27,n1(nnc(C)c1C(=O)N\N=C\c(cc2)ccc2N(CC)CC)c3nonc3N,0.0
75732,CO-ADD:0227075,-7.27,C(=O)(C(c1ccccc1)c2ccccc2)Nc3ccc(cc3OC)OC,0.0
75733,CO-ADD:0229206,-7.27,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CN(CC3)CCN3C,0.0
75734,CO-ADD:0231202,-7.27,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3F)c1,0.0
75735,CO-ADD:0225900,-7.27,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)Nc(cc4)ccc4OC)C2=O,0.0
75736,CO-ADD:0225177,-7.27,n1(c(ccc2C(=O)Nc3cccc(C)c3)nnc1SCC(=O)Nc(cc4)ccc4Br)c2,0.0
75737,CO-ADD:0225193,-7.27,c12n(C=CN(Cc(cc3)ccc3F)C1=O)c(nn2)SCC(NCCC(C)C)=O,0.0
75738,CO-ADD:0226226,-7.28,S(=O)(=O)(N(c1ccc(cc1)OC)Cc2ccccc2F)c(ccc3n4c(C)nn3)c4,0.0
75739,CO-ADD:0220550,-7.28,c1(Br)c(O)c(\C=N\NC(CNc(cc2)ccc2C)=O)cc(Br)c1O,0.0
75740,CO-ADD:0220515,-7.28,[N+](=O)([O-])c(cc1)cc(c1N(C)C2CCCCC2)\C=N\NC(COc3ccccc3Br)=O,0.0
75741,CO-ADD:0220058,-7.28,C(=O)(Nc(cccn1)c1)c2ccccc2Br,0.0
75742,CO-ADD:0220892,-7.28,[N+](=O)([O-])c1cccc(c1)\C(\C)=N\NC(=O)c2ccc(cc2)C,0.0
75743,CO-ADD:0220340,-7.28,C(CNc(cc1)ccc1C)(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
75744,CO-ADD:0220337,-7.28,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(CNc(cc3)ccc3C)=O,0.0
75745,CO-ADD:0231049,-7.28,C(=O)(C\C(\C)=N\NC(COc1ccc(cc1Br)C)=O)Nc2c(OC)ccc(OC)c2,0.0
75746,CO-ADD:0231035,-7.28,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2ccccc2O)c3ccccc3Cl,0.0
75747,CO-ADD:0227871,-7.28,c1(c2ccc(cc2)Cl)nc(sc1c(cc3)ccc3[N+](=O)[O-])\N=C/c4cccc(OC)c4O,0.0
75748,CO-ADD:0231020,-7.28,C(F)(F)(Oc1ccccc1NC(=O)c2ccc(cc2Cl)Cl)C(F)C(F)(F)F,0.0
75749,CO-ADD:0233266,-7.29,C(=O)(Nc(cc1)ccc1Br)C\C(\C)=N\NC(=O)c(cc2)ccc2C(C)(C)C,0.0
75750,CO-ADD:0231657,-7.29,n1c(ccc(c2)C)c2oc1c3ccc(cc3)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
75751,CO-ADD:0236216,-7.29,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)OC(C)=C2C(=O)OC(C)C,0.0
75752,CO-ADD:0236702,-7.29,c1(C(=O)N\N=C\c(cc2)ccc2Cl)c(C)nc(cc(C)cc3)n13,0.0
75753,CO-ADD:0232983,-7.29,n1c(c(cc2)ccc2c3ccccc3)csc1Nc(cc4)ccc4F.Br,0.0
75754,CO-ADD:0236610,-7.29,C12=C(C(C(C#N)=C(N)O1)c3ccc(cc3)Cl)C(N(C)C(=O)N2C)=O,0.0
75755,CO-ADD:0234331,-7.29,C1(C)(CCC(C2(C)C)=O)C2CC=C(C)C1COc(ccc(c34)C=CC(=O)O3)c4,0.0
75756,CO-ADD:0236258,-7.29,C1(=Cc2c(OC1=O)ccc(Br)c2)c3csc(Nc4ccccc4)n3,0.0
75757,CO-ADD:0233386,-7.3,[N+](=O)([O-])c1ccc(cc1)\C=N\c(cc2)ccc2C(C)=O,0.0
75758,CO-ADD:0231586,-7.3,C1(c2cccc(C)c2)(c3cccc(C)c3)CC1C(=O)Nc4c(C)cc(cc4C)C,0.0
75759,CO-ADD:0234297,-7.3,N#Cc1ccccc1OCC(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
75760,CO-ADD:0233180,-7.3,C(O)(c1ccccc1)(CC2)CCN2C,0.0
75761,CO-ADD:0233664,-7.3,[N+](=O)([O-])\C(\Br)=C/c(cccc1[N+](=O)[O-])c1,0.0
75762,CO-ADD:0233645,-7.3,[N+](=O)([O-])c(cc1\C=N\NC(COc(cc2)c(Br)cc2[N+](=O)[O-])=O)cc(c1OC(=O)c3ccc(cc3)Br)Br,0.0
75763,CO-ADD:0231793,-7.3,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3Br)OC)c3)c4cccc(Cl)c4Cl,0.0
75764,CO-ADD:0227196,-7.3,c1(NCC(=O)N\N=C\c2cccc(CC=C)c2O)c(Br)cc(cc1Br)Br,0.0
75765,CO-ADD:0227243,-7.3,C(CNc1cccc(Br)c1)(=O)N\N=C\c2cccc(Br)c2,0.0
75766,CO-ADD:0227904,-7.3,N(c1ccccc1)(C2)C(=O)CC2C(=O)N(CC3)CCN3CCNC(=O)C(=O)Nc(cc4)ccc4C,0.0
75767,CO-ADD:0231719,-7.3,c1(c(O)c(\C=N\NC(COc2c(OC)cc(cc2Br)Br)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
75768,CO-ADD:0227390,-7.3,c1(c(Br)cc(cc1\C=N\NC(CNC(=O)c2ccccc2Br)=O)Br)OC(c3ccccc3)=O,0.0
75769,CO-ADD:0227062,-7.3,s1c(SCc2ccccc2)nnc1SCc3ccccc3,0.0
75770,CO-ADD:0231668,-7.3,c1(OCC(=O)N\N=C\c2ccc(cc2O)OC)c(OC)cc(cc1Br)Br,0.0
75771,CO-ADD:0227399,-7.3,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3cccc(F)c3,0.0
75772,CO-ADD:0227671,-7.3,N1(CC(=O)[O-])C(C)(O)CC(NC1=S)(C)C.[Na+],0.0
75773,CO-ADD:0225866,-7.3,C1(=N2)N(C=CN=C1Sc3ccccc3CC)C(N2CC(=O)NCc4cccs4)=O,0.0
75774,CO-ADD:0226274,-7.3,S(=O)(=O)(N(Cc1cccc(Cl)c1)c2ccc(cc2)F)c(ccc3n4c(C)nn3)c4,0.0
75775,CO-ADD:0225383,-7.3,c12n(ccn(nc(c3ccc(cc3)OC)c4)c14)c(nn2)SCC(=O)Nc5ccccc5Cl,0.0
75776,CO-ADD:0226891,-7.3,c12n(c3c(cccc3)nc1SCC(=O)Nc(cc4)ccc4C(OC)=O)c(nn2)CC,0.0
75777,CO-ADD:0218960,-7.3,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/C)\Nc(c(C)ccc2[N+](=O)[O-])c2)[N+](=O)[O-],0.0
75778,CO-ADD:0222191,-7.31,C(=N\NC(CNc1cccc(cccc2)c12)=O)(/C3=O)\c(cc(Br)cc4Br)c4N3,0.0
75779,CO-ADD:0219998,-7.31,c1(c(NCCN(CC)CC)ccc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
75780,CO-ADD:0222426,-7.31,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(=O)c(ccc(n3)C)c3,0.0
75781,CO-ADD:0222418,-7.31,c(Nc1ccccc1)(nc(N\N=C\c2ccccc2Br)nc3Nc4ccccc4)n3,0.0
75782,CO-ADD:0222313,-7.31,c1(c2cccc(c2)\N=C\c(cc(Cl)cc3Cl)c3O)sc(c4n1)cccc4,0.0
75783,CO-ADD:0222325,-7.31,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c5cccc(I)c5O,0.0
75784,CO-ADD:0227446,-7.31,C(c(cc1)ccc1\C=N\c(cc2)ccc2N=Nc3ccccc3)#Cc4ccccc4,0.0
75785,CO-ADD:0234169,-7.31,n1c2c(oc1c3ccc(cc3)\N=C\c(cccc4[N+](=O)[O-])c4)cccc2C,0.0
75786,CO-ADD:0227220,-7.31,C(F)(F)(C(F)(F)C(=O)NC(CO)C(=O)[O-])C(F)(F)C(F)(F)C(=O)NC(CO)C(=O)[O-].C(=O)O,0.0
75787,CO-ADD:0231394,-7.31,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)\N=C\c4ccc(cc4Cl)Cl,0.0
75788,CO-ADD:0231562,-7.31,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(COc3ccc(cc3Cl)Cl)=O,0.0
75789,CO-ADD:0234804,-7.31,c1(SCC(=O)Nc2ccc(cn2)Cl)sc(c3n1)cccc3,0.0
75790,CO-ADD:0227070,-7.31,C(=O)(Nc(cc1)ccc1CCCC)C(NCCc(cc2)ccc2F)=O,0.0
75791,CO-ADD:0236150,-7.31,C(C#N)(C1c(ccs2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
75792,CO-ADD:0233398,-7.31,C(F)(C(F)(F)F)(C(=O)NC(N)=O)OC(F)(F)C(F)(F)C(F)(F)F,0.0
75793,CO-ADD:0233502,-7.31,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2CC)=O)N(CC(C)C)CC(C)C)c1,0.0
75794,CO-ADD:0227529,-7.31,c(c(Br)c1Br)c(NCC(=O)N\N=C\c2ccc(C)o2)c(c1)Br,0.0
75796,CO-ADD:0229703,-7.31,c1(NCC(=O)N\N=C(/C)\CCC)c(Br)cc(cc1Br)Br,0.0
75797,CO-ADD:0229612,-7.31,c1(Nc2ccccc2OC)c(c(C)nc(Nc3ccc(cc3C)C)n1)[N+](=O)[O-],0.0
75798,CO-ADD:0227726,-7.32,c1(nnc(CC(OCC)=O)s1)NC(=O)c2ccc(cc2)OC,0.0
75799,CO-ADD:0227878,-7.32,S(NCCCNc1ccc(cc1[N+](=O)[O-])Cl)(=O)(=O)c2ccc(c3c2)cccc3,0.0
75800,CO-ADD:0227082,-7.32,c1(s2)c(N=CNC1=O)c(c23)ccc(c4ccccc4)n3,0.0
75801,CO-ADD:0229720,-7.32,[N+](=O)([O-])c1ccc(cc1\C=N\NC(COc(cc2)ccc2C)=O)O,0.0
75802,CO-ADD:0227271,-7.32,C(COc1ccc(cc1OC)Br)(=O)N\N=C\c2cccc(I)c2,0.0
75803,CO-ADD:0229452,-7.32,C(CCCc1ccccc1)(=O)Nc2cccc(Br)c2,0.0
75804,CO-ADD:0221102,-7.32,c1(C#N)c(C)cc(nc1SCC(=O)Nc2ccccc2)C,0.0
75805,CO-ADD:0219468,-7.32,C(=O)(c1ccc(cc1)F)Nc(cccc2C(=O)N\N=C\c3cccc(Br)c3)c2,0.0
75806,CO-ADD:0222340,-7.32,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)\N=C\c4cccc(I)c4O,0.0
75807,CO-ADD:0220621,-7.32,c1(Br)c(C)oc(\C=N\NC(COc2c(Cl)cc(cc2Cl)Cl)=O)c1,0.0
75808,CO-ADD:0221534,-7.32,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])COC(=O)c(cc2)ccc2C(=O)OCc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
75809,CO-ADD:0222199,-7.32,c1(c2cccc(Br)c2)oc3c(ccc(c3)\N=C\c4cccc(I)c4)n1,0.0
75810,CO-ADD:0219809,-7.32,c(C([H])=O)(c(cccc1)c1n2C)c2C,0.0
75811,CO-ADD:0219593,-7.33,C(=O)(N\N=C\c(cc1)ccc1F)C(=O)Nc2ccc(cc2C)Cl,0.0
75812,CO-ADD:0219533,-7.33,C(=O)(c1cccc(Cl)c1)N\N=C(/C)\C=C\c2ccccc2F,0.0
75813,CO-ADD:0219515,-7.33,[N+](=O)([O-])c1c(ccc(c1)[N+](=O)[O-])CC(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2I,0.0
75814,CO-ADD:0220307,-7.33,[N+](=O)([O-])c1cccc(\C=N\NC(CNc2cccc(C)c2)=O)c1O,0.0
75815,CO-ADD:0236208,-7.33,C12(c3c(NC1=O)cccc3)C(C(=O)OC(C)(C)C)=C(C)OC(N)=C2C(=O)OC(C)(C)C,0.0
75816,CO-ADD:0231176,-7.33,S(=O)(=O)(Oc(cc1)ccc1\C=N\NC(=O)c2cccc(Cl)c2)c(ccc(c3[N+](=O)[O-])C)c3,0.0
75817,CO-ADD:0236207,-7.33,c(c(C)[nH]n1)(c1O)C(C(C#N)C#N)c2ccccc2OC,0.0
75818,CO-ADD:0236234,-7.33,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCc(cc3)ccc3Cl)c4ccccc4,0.0
75819,CO-ADD:0231497,-7.33,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(ccc(c23)OCCO2)c3)OC(c4ccccc4)=O)c1,0.0
75820,CO-ADD:0234590,-7.33,c1(OC)c(OC)cc(cc1OC)\C=N\NC(COc(cc2)ccc2Cl)=O,0.0
75821,CO-ADD:0234916,-7.33,c1(cc(cc(OC)c1OCC(=O)N\N=C\c(cc(Br)c(c2Br)O)c2O)[N+](=O)[O-])[N+](=O)[O-],0.0
75822,CO-ADD:0233751,-7.33,c1([nH]nc(C(CC2)CCN2C(=O)[C@@H](N)CC(O)=O)c1)C(F)(F)F.Cl,0.0
75823,CO-ADD:0231348,-7.33,C(c1ccccc1)(=O)Nc(cc2)ccc2C(=O)NNC(=O)c3ccc(cc3)OC,0.0
75824,CO-ADD:0234959,-7.33,c1(cc(cc(OC)c1OCC(=O)N\N=C\c2ccccc2F)[N+](=O)[O-])[N+](=O)[O-],0.0
75825,CO-ADD:0233525,-7.33,c1(c(C)cccc1C)OCC(=O)N\N=C\C(\Br)=C\c2ccccc2,0.0
75826,CO-ADD:0229240,-7.33,c1(coc(ccc(O)c2CN(CC3)CCN3C)c12)C(=O)c4cc(OC)ccc4OC,0.0
75827,CO-ADD:0227098,-7.33,c1(c(C)nn2c3ccccc3)c2OC(=C(C#N)C14c5c(NC4=O)ccc(Br)c5)N.[Na+],0.0
75828,CO-ADD:0227736,-7.33,N(C(=O)\C(\S1)=C/c2ccccc2O)=C1N3CCCCC3,0.0
75829,CO-ADD:0231743,-7.34,c1(c(ccc(c1)[N+](=O)[O-])Oc(cc2)ccc2\C=N\c(ccc(c34)oc(c5cccc(F)c5)n3)c4)[N+](=O)[O-],0.0
75830,CO-ADD:0229265,-7.34,c12c(c3c(c(O)c1Cc(cc4)ccc4N(C)C)cccc3)nc5c(cccc5)n2,0.0
75831,CO-ADD:0229249,-7.34,c(CSc1nc(C)cc(C)n1)(c(C)c2C)c(C)c(c2Br)C,0.0
75832,CO-ADD:0231684,-7.34,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)c(OC)cc2c3ccc(c(OC)c3)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4,0.0
75833,CO-ADD:0227313,-7.34,c(\C=N\NC(CNc1cccc(cccc2)c12)=O)(cc(Br)cc3Br)c3O,0.0
75834,CO-ADD:0227887,-7.34,c1(nnc(CC(OCC)=O)s1)NC(=O)c2ccc(cc2)Br,0.0
75835,CO-ADD:0229595,-7.34,n1c2c(CCCC2)cc(C#N)c1SCC(=O)c3ccc(cc3)Br,0.0
75836,CO-ADD:0227329,-7.34,N(=C(/C)\c1ccc(c2c1)cccc2)/NC(CNc3cccc(cccc4)c34)=O,0.0
75837,CO-ADD:0229743,-7.34,c1(c(Br)cc(cc1\C=N\NC(COc2ccc(cc2Br)Cl)=O)Br)OC(c3ccccc3)=O,0.0
75838,CO-ADD:0220871,-7.34,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc2ccc(cc2C)C,0.0
75839,CO-ADD:0221479,-7.34,S(=O)(=O)(c1cccc2c1cccc2S(=O)(=O)Nc3cccc(cccc4)c34)Nc5cccc(cccc6)c56,0.0
75840,CO-ADD:0221272,-7.34,c(C(OCC)=O)(c(cc(OC)cc1)c1n2c3cccc(C)c3)c2C,0.0
75841,CO-ADD:0226247,-7.34,S(=O)(=O)(N(Cc1ccccc1F)c2ccc(c3c2)OCCO3)c(ccc(n4c5)nn5)c4,0.0
75842,CO-ADD:0225895,-7.34,N12C(C=CC(c3ccc(cc3)Cl)=N1)=NN(CC(=O)Nc4ccccc4)C2=O,0.0
75843,CO-ADD:0219840,-7.34,c1(cc(C)ccc1C(C)C)OCC(=O)Nc(cc2)ccc2OC,0.0
75844,CO-ADD:0219792,-7.34,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2OCCCC,0.0
75845,CO-ADD:0219242,-7.34,c(cc(I)cc1I)(\C=N\c2cccc(C)c2)c1O,0.0
75846,CO-ADD:0219760,-7.34,C(CSCc(cc1)ccc1Cl)(=O)N\N=C\c2cccc(OC)c2O,0.0
75847,CO-ADD:0220463,-7.34,N(=C(/C)\c1ccccc1)/NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O,0.0
75848,CO-ADD:0220324,-7.35,c1(I)ccc(\C=N\NC(CNc2ccccc2C)=O)o1,0.0
75849,CO-ADD:0237293,-7.35,CC(=O)N(CCN(C(=O)c1ccc(F)cc1)c2ccccc2)c3ccccc3,0.0
75850,CO-ADD:0237313,-7.35,COc1cc(ccc1c2cn(nn2)c3cccc(c3)C4=NCCN4)C5=NCCN5,0.0
75851,CO-ADD:0237236,-7.35,CCCn1c(NC(=O)c2ccc3ccccc3n2)nc4ccccc14,0.0
75852,CO-ADD:0229539,-7.35,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/NNC(=O)c(cccc3[N+](=O)[O-])c3,0.0
75853,CO-ADD:0227627,-7.35,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c(cc(I)cc5I)c5O,0.0
75854,CO-ADD:0236156,-7.35,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)Nc2nnc(c3ccccc3)s2)Cl)c1,0.0
75855,CO-ADD:0234766,-7.35,c1(c2cccc(cccc3)c23)c(C)[nH]c(C)c1C(OC)=O,0.0
75856,CO-ADD:0229431,-7.35,C(=O)(Nc(cc1)ccc1C(=O)N\N=C\c(ccc(c2Br)O)c2)c3ccccc3Br,0.0
75857,CO-ADD:0229370,-7.35,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)OCC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
75858,CO-ADD:0227820,-7.35,c1(c(O)c(cc(c1)[N+](=O)[O-])\C=C(/S\C(\N2)=N/N=C/c3ccccc3)\C2=O)[N+](=O)[O-],0.0
75859,CO-ADD:0227495,-7.35,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OC)\C=N\NC(=O)\C(=C\c(ccc(c34)OCO3)c4)\NC(c5ccccc5)=O,0.0
75860,CO-ADD:0227487,-7.36,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)ccc4OC(=O)c5ccccc5Cl,0.0
75861,CO-ADD:0227457,-7.36,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(CNc2ccccc2OC)=O,0.0
75863,CO-ADD:0227377,-7.36,C(=O)(c1ccc(cc1)Br)Oc2ccc(cc2OCC)\C=N\NC(CNC(=O)c(cc3OC)cc(c3OC)OC)=O,0.0
75864,CO-ADD:0229179,-7.36,C(=O)(c(cc1)ccc1C(=O)N(C(C)C)C(C)C)N(C2CCCCC2)C3CCCCC3,0.0
75865,CO-ADD:0229400,-7.36,C(C(C)(O)CNC(Cc1ccccc1)C(O)=O)#CCCC,0.0
75866,CO-ADD:0231818,-7.36,N(=C\c(cc1)ccc1C(OC)=O)/c2cc(C)ccc2O,0.0
75867,CO-ADD:0227501,-7.36,C(=O)(Oc1ccc(cc1OC)\C=N/NC(COc2ccc(cc2Br)Cl)=O)c3ccccc3Cl,0.0
75868,CO-ADD:0225919,-7.36,N12C(C=CC(c3ccc(c(C)c3)C)=N1)=NN(CC(=O)Nc4cccc(SC)c4)C2=O,0.0
75869,CO-ADD:0226359,-7.36,N1(C2=O)C(C=C(N=C1Nc(ccc(c3F)C)c3)C)=NN2CC(=O)Nc4c(C)ccc(F)c4,0.0
75870,CO-ADD:0225231,-7.36,N12C(C=CC(SCc(cc3)ccc3Cl)=N1)=NN(CC(=O)Nc4c(OC)ccc(OC)c4)C2=O,0.0
75871,CO-ADD:0222324,-7.36,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c5c(O)cc(c(Cl)c5C)C,0.0
75872,CO-ADD:0221111,-7.36,[C@@]1(C#N)(C#N)[C@@H]([C@H]1c2ccccc2Cl)C(N)=O,0.0
75873,CO-ADD:0220920,-7.36,C(F)(F)(C(F)(F)F)C(F)(F)C(=O)NC(CC(C)C)C(O)=O,0.0
75874,CO-ADD:0221028,-7.36,C(=O)(c1ccc(cc1)NC(CCCCCCCCC)=O)Nc(cc2)ccc2O,0.0
75875,CO-ADD:0222230,-7.36,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(ccc(c3I)O)c3,0.0
75876,CO-ADD:0222387,-7.37,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\NC(=O)c3ccc(cc3)O,0.0
75877,CO-ADD:0222329,-7.37,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3[N+](=O)[O-])nc(Nc4cccc(cccc5)c45)n1,0.0
75878,CO-ADD:0237401,-7.37,FC(F)(F)c1ccc(cc1)N(C2CCN(CC2)c3ccc(cn3)C(F)(F)F)c4cccnc4,0.0
75879,CO-ADD:0237041,-7.37,Fc1ccc(cc1)c2oc(cc2)C(=O)NCc3nnc4CCCCCn34,0.0
75880,CO-ADD:0237049,-7.37,Clc1ccc(CCNc2cc(nc3ncnn23)c4ccccc4)cc1,0.0
75881,CO-ADD:0237071,-7.37,CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3,0.0
75882,CO-ADD:0237217,-7.37,CC(=O)NCC1CN(C(=O)O1)c2ccc(c(F)c2)c3ccc(CO)cc3,0.0
75883,CO-ADD:0231099,-7.37,C(OCc1ccccc1)(=O)NCC(NCCC)=O,0.0
75884,CO-ADD:0234196,-7.37,c1(oc(c2n1)ccc(c2)\N=C\c(ccc(c3[N+](=O)[O-])Br)c3)c4cc(Cl)ccc4Cl,0.0
75885,CO-ADD:0229608,-7.37,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc5c(c(C)cc(c6[N+](=O)[O-])C)c6)o5,0.0
75886,CO-ADD:0231813,-7.37,n1c(ccc(c2)C)c2oc1c3ccc(cc3)\N=C\c(cc4)ccc4C(OC)=O,0.0
75887,CO-ADD:0236471,-7.37,c1(SCC(=O)Nc(cc2)ccc2C#N)[nH]c(c3n1)cccc3,0.0
75888,CO-ADD:0234752,-7.38,C1(=O)c2c(CN1c3cccc(F)c3)ccc(OC)c2OC,0.0
75889,CO-ADD:0236903,-7.38,o1c(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)nnc1c3cccc(Br)c3,0.0
75890,CO-ADD:0233349,-7.38,N1(CCc(c2c([nH]3)cccc2)c3)C(=O)c4c(cccc4)C1=O,0.0
75891,CO-ADD:0236499,-7.38,C1(=Cc2c(OC1=O)ccc(Br)c2)c3csc(Nc4cccc(cccc5)c45)n3,0.0
75892,CO-ADD:0236916,-7.38,c1(C2(CCCCC2)\N=C\c(cc3)ccc3[N+](=O)[O-])nnnn1c4cccc(C)c4,0.0
75893,CO-ADD:0229175,-7.38,C(C(C)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(O)C(N1c(cc3)ccc3C(O)=O)=O,0.0
75894,CO-ADD:0227965,-7.38,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C\c(cc3)ccc3Br,0.0
75895,CO-ADD:0229508,-7.38,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3O,0.0
75896,CO-ADD:0229496,-7.38,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(ccc(c3N\C=C(\C(C)=NN4c5ccc(c(C)c5)C)/C4=O)O)c3,0.0
75897,CO-ADD:0229477,-7.38,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3c(O)ccc(Cl)c3,0.0
75898,CO-ADD:0229458,-7.38,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3cccc(C)c3,0.0
75899,CO-ADD:0221437,-7.38,c1(C(OC)=O)oc(c2c1NC(C)=O)cccc2,0.0
75900,CO-ADD:0219046,-7.38,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c2cccc(O)c2)N(C)C)c1,0.0
75901,CO-ADD:0219301,-7.39,C(NCCCCCCCCCCNC(=O)Nc1cc(C)ccc1C)(=O)Nc2cc(C)ccc2C,0.0
75902,CO-ADD:0219991,-7.39,c1(\C=N\CCCCCCCCCCCCCCCCCC)c(O)ccc(cccc2)c12,0.0
75903,CO-ADD:0221070,-7.39,C(=N\NC(COc1ccc(cc1OC)Br)=O)(/c2c(N3)ccc(C)c2)\C3=O,0.0
75904,CO-ADD:0221752,-7.39,C(COc(cc1)ccc1C(C)(C)CC(C)(C)C)(=O)N\N=C\c(ccc(c23)OCO2)c3,0.0
75905,CO-ADD:0219203,-7.39,C(COc(cc1)ccc1CCC)(=O)N\N=C\c(cc2)ccc2OCCCC,0.0
75906,CO-ADD:0220604,-7.39,c1(OCC(=O)N\N=C\c2cc(Br)ccc2OC(=O)c3ccc(cc3)Br)c(Br)cc(cc1Br)Br,0.0
75907,CO-ADD:0222812,-7.39,C(COc(cc1)ccc1C)(=O)NCc2ccccc2OC,0.0
75908,CO-ADD:0222580,-7.39,C(=N\O)(/CN(c1ccccc1)c2ccccc2)\C(=O)Nc(cc3)ccc3OC,0.0
75909,CO-ADD:0222846,-7.39,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)N\N=C\C=C\c4ccccc4,0.0
75910,CO-ADD:0222198,-7.39,c1(c2cccc(Br)c2)oc3c(ccc(c3)\N=C\c(ccc(c4Cl)OC)c4)n1,0.0
75911,CO-ADD:0222753,-7.39,C(=N\NC(COc1ccccc1OC)=O)(/c(cc(C)cc2Br)c2N3C)\C3=O,0.0
75912,CO-ADD:0221999,-7.39,S(=O)(=O)(c(ccc(c1C(=O)Nc(c(C)ccc2[N+](=O)[O-])c2)Cl)c1)N(CC3)CCO3,0.0
75913,CO-ADD:0222721,-7.39,[N+](=O)([O-])c1ccc(cc1)CC(=O)N\N=C\c(cc2)ccc2OC\C=C\Cl,0.0
75914,CO-ADD:0220442,-7.39,c(\C=N\NC(CNC(=O)C(c1ccccc1)c2ccccc2)=O)(cc(Br)cc3Br)c3OC,0.0
75915,CO-ADD:0219476,-7.39,C(=O)(N\N=C\c(cc1)ccc1OCc2cccc(cccc3)c23)C(=O)Nc4ccc(cc4C)Cl,0.0
75916,CO-ADD:0237242,-7.39,COc1ccc(Cn2cnc3c(nc(Cl)nc23)c4occc4)cc1,0.0
75917,CO-ADD:0237162,-7.39,CC(C)c1ncc(c2ccncc2)c(n1)[C@@H]3CC[C@@H](CNC(=O)c4cccnc4)CC3,0.0
75918,CO-ADD:0237079,-7.39,CS(=O)(=O)CC1=Nc2ccccc2OC1=O,0.0
75919,CO-ADD:0237082,-7.39,CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2,0.0
75920,CO-ADD:0237331,-7.39,COc1ccc(cc1OC)c2cnc3ccc(nn23)N4CCCC4,0.0
75922,CO-ADD:0226904,-7.4,n(c1c(cccc1)nc2SCC(=O)Nc(cc3)ccc3Br)(c(C(C)C)nn4)c24,0.0
75923,CO-ADD:0225752,-7.4,C1(=N2)N(C=CN=C1Sc3cccc(C)c3)C(N2CC(=O)N(CC4)CCN4c5ccc(cc5)F)=O,0.0
75924,CO-ADD:0226912,-7.4,n(c1c(cccc1)nc2SCC(=O)Nc(ccc(c3Cl)OC)c3)(c(C(C)C)nn4)c24,0.0
75925,CO-ADD:0226920,-7.4,n(c1c(cccc1)nc2SCC(=O)Nc3ccc(cc3Cl)C)(c(C(C)C)nn4)c24,0.0
75926,CO-ADD:0225768,-7.4,C1(=N2)N(C=CN=C1SCc(cc3)ccc3Cl)C(N2CC(=O)Nc4ccccc4F)=O,0.0
75927,CO-ADD:0236695,-7.4,n1(cc(nn1)C(C)(C)O)c2nonc2N,0.0
75928,CO-ADD:0231554,-7.4,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\NC(=O)c(ccc(c34)OCCO3)c4,0.0
75929,CO-ADD:0230961,-7.4,c1(ccccc1NC(CSc2nc(C)cc(C)n2)=O)C(OC)=O,0.0
75930,CO-ADD:0233234,-7.4,N1(C)C(=O)C(NC1=O)(C)c2ccc(cc2)OCCCC,0.0
75931,CO-ADD:0231104,-7.4,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)Nc3ccc(cc3C)C,0.0
75932,CO-ADD:0232849,-7.4,N1(\N=C\c2ccccc2C)C(=O)c3c(c4C1=O)c(c(CC5)cc3)c5cc4,0.0
75933,CO-ADD:0236885,-7.4,N1(N=C(CC1(O)c(cccc2[N+](=O)[O-])c2)C)C(=O)C(F)(F)F,0.0
75934,CO-ADD:0231600,-7.41,n1c2c([nH]c1c3ccc(cc3)F)ccc(c2)\N=C\c(cc(Cl)cc4Br)c4O,0.0
75935,CO-ADD:0231571,-7.41,n1(CC)c2c(c(cc(cc3)\C=N\NC(=O)C4CC4c5ccccc5)c13)cccc2,0.0
75936,CO-ADD:0236153,-7.41,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
75937,CO-ADD:0233113,-7.41,N(N1)=C(c2ccc(cc2)OC)c3c(N=C1c4ccccc4)cccc3,0.0
75938,CO-ADD:0233441,-7.41,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2cc(Br)cc(Br)c2OC(=O)c3cccc(F)c3,0.0
75939,CO-ADD:0231797,-7.41,c1(OCC(=O)N\N=C\c(cc2)ccc2C(OC)=O)c(OC)cc(cc1Br)Br,0.0
75940,CO-ADD:0229478,-7.41,N1(c2ccc(cc2)C)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3,0.0
75941,CO-ADD:0229906,-7.41,C(=O)(Nc1ccc(cn1)Cl)c2ccc(cc2Cl)Cl,0.0
75942,CO-ADD:0229424,-7.41,C1(=C(c2c(cccc2)CC13CCCC3)NC(N4c5ccc(cc5)OC)=S)C4=O,0.0
75943,CO-ADD:0227708,-7.41,c1(C#N)c(N)nc(c2c1c(ccc(c34)OCO3)c4)CCCCC2,0.0
75944,CO-ADD:0229446,-7.41,c(\C=N\NC(COc(cc1)ccc1CCCC)=O)(cc(Br)cc2Br)c2O,0.0
75945,CO-ADD:0220296,-7.41,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c5cc(C)cc(I)c5O,0.0
75946,CO-ADD:0219393,-7.41,C(=O)(N\N=C\c(ccc(c1OCC)OCC=C)c1)C(=O)NCc(cc2)ccc2Cl,0.0
75947,CO-ADD:0220033,-7.41,N(\C(=C\c(cc1)ccc1Br)\C(O2)=O)=C2c3ccccc3,0.0
75948,CO-ADD:0220975,-7.42,n(Cc1ccccc1)(c2c(c3\C=N\NC(COc4c(C(C)C)cc(c(C)c4Br)Br)=O)cccc2)c3C,0.0
75949,CO-ADD:0221749,-7.42,C(CCCCCCCCCCC(=O)Nc(cc1)ccc1OCCCC)(=O)Nc(cc2)ccc2OCCCC,0.0
75950,CO-ADD:0221692,-7.42,C(=O)(N\N=C\c1ccccc1F)c2ccc(cc2)OCCCCCCCCCC,0.0
75951,CO-ADD:0220620,-7.42,C(=O)(N\N=C\c1ccccc1OCC(O)=O)c2ccc(cc2)O,0.0
75952,CO-ADD:0220583,-7.42,C(=N\NC(CNc1ccccc1C)=O)(/c2c(N3)ccc(C)c2)\C3=O,0.0
75953,CO-ADD:0222319,-7.42,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C\c4c(O)cc(c(Cl)c4C)C,0.0
75954,CO-ADD:0219247,-7.42,C(=O)(c1ccc(cc1)OC)Nc(cccc2C(=O)N\N=C\c(cc3)ccc3Br)c2,0.0
75955,CO-ADD:0137847,-7.42,BrC1=CC2=NC(C(C=C3)=CC=C3Cl)=C(C4=CC=C(Cl)C=C4)N=C2N=C1,0.0
75956,CO-ADD:0137871,-7.42,O=C(C1)NC(N2C3=NC(C=CC=C4)=C4N3)=C(C(C)=N2)C1C5=CC(OC)=C(OC)C(OC)=C5,0.0
75957,CO-ADD:0137887,-7.42,O=C(NC1=CC=C(OC)C=C1)C2=C(OC)C(OCO3)=C3C(OC)=C2,0.0
75958,CO-ADD:0148854,-7.42,c1(C(=O)c2ccc(cc2)Cl)c(N)c(c3s1)ccc(C)n3,0.0
75963,CO-ADD:0148906,-7.43,c1(c(C)nc2n1ccs2)c3csc(Nc(cc4)ccc4OCC)n3.Br,0.0
75964,CO-ADD:0149131,-7.43,COc(cc(NC(=O)C(=O)c(c(cc1)c([nH]2)cc1F)c2)cc3)c3,0.0
75965,CO-ADD:0148935,-7.43,c(c(OC)c1)(cc([nH]2)c3ccccc3)c2cc1[N+](=O)[O-],0.0
75966,CO-ADD:0154825,-7.43,O=C(C1=C2C=CC(C(NC3=CC=CC=C3C(O)=O)=O)=C1)N(C(C=C4)=CC=C4OC5=CC=C(C=C5)N(C6=O)C(C7=C6C=CC(NC(C(C=CC=C8)=C8C(O)=O)=O)=C7)=O)C2=O,0.0
75967,CO-ADD:0154833,-7.43,O=S(NC1=NC(OC)=NC(OC)=C1)(C(C=C2)=CC=C2NC(C3=CC=C(C=C3)[N+]([O-])=O)NC4=CC=C(C=C4)S(NC5=NC(OC)=NC(OC)=C5)(=O)=O)=O,0.0
75968,CO-ADD:0156094,-7.43,O=C1OC(C2=CC(OC)=C(C(OC)=C2)OC)=N/C1=C/C3=CC=C(C(OCC)=C3)OC(C)=O,0.0
75969,CO-ADD:0156142,-7.43,O=C(NC1=CC=C(OCCCCCCCCCC)C=C1)NC2=CC=C(OC)C=C2,0.0
75970,CO-ADD:0155171,-7.43,S=C(N(C)C)OC1=CC=C(C=C1)C(NC2=CC=C(C)C=C2)=O,0.0
75971,CO-ADD:0155892,-7.43,O=C(N[C@@]1(C[C@@H]2C3)CC3CC(C2)C1)C4=C(N)C(C=C5)=C(N=C5[C@@]6(C[C@H]7C8)C[C@H]8C[C@H](C7)C6)S4,0.0
75972,CO-ADD:0155092,-7.43,N#CC1(C#N)[C@]2([H])N([C@H](C(C3=CC=CC=C3)=O)[C@H]1C(C=C4)=CC=C4OC(C)=O)C(C=CC(Cl)=C5)=C5C=C2,0.0
75973,CO-ADD:0155100,-7.43,N#CC([C@H](C(C=CC=C1)=C1I)[C@H]2C(C)=O)(C#N)[C@]3([H])N2C(C=CC=C4)=C4C=C3,0.0
75974,CO-ADD:0155130,-7.44,O=C(COC(C(Cl)=C1)=CC=C1Cl)N/N=C/C2=CN(CC3=CC=CC=C3)C4=C2C=CC=C4,0.0
75975,CO-ADD:0149462,-7.44,C(c(c1O2)ccc(OC)c1)(c(cc(OCCO3)c3c4OC)c4)C(=C2C5)C(O5)=O,0.0
75976,CO-ADD:0137894,-7.44,COC1=C2C(OCO2)=CC(CC3ON=C(C4=CC=C(F)C=C4)C3)=C1OC,0.0
75977,CO-ADD:0149217,-7.44,c(cc(c1c2)oc(n1)c3cc(OC)c(OC)c(OC)c3)c2N,0.0
75978,CO-ADD:0148943,-7.44,c1(nc(c2n1Cc(cc3)ccc3C#N)cccc2)c4nonc4N,0.0
75979,CO-ADD:0148871,-7.44,C1(C#N)=C(N)Oc2c(ccc(c2)O)C1c(cc3OC)cc(c3OC)OC,0.0
75980,CO-ADD:0149127,-7.44,c(c1)c([nH]2)c(c(C(=O)C(=O)Nc(cc3)ccc3OC)c2)cc1F,0.0
75981,CO-ADD:0148824,-7.44,c1(cc2)n(n2)c(c(cc3OC)cc(OC)c3OC)c(c(cc4)ccc4OC)cn1,0.0
75982,CO-ADD:0148920,-7.44,c(OC)(c(OC)c1)c(OC)cc1C(=O)\C=C\c(cc2)ccc2OCC(N)=O,0.0
75983,CO-ADD:0154893,-7.44,NC1=C(OC2=CC=CC=C2)C(N)=C(OC3=CC=CC=C3)C(N)=C1OC4=CC=CC=C4,0.0
75984,CO-ADD:0154765,-7.44,O=S(NC(C(N1CCCCC1)=N2)=NC3=C2C=C(C)C=C3)(C(C=C4)=CC=C4C)=O,0.0
75985,CO-ADD:0154781,-7.45,[O-][N+](C1=CC(C(NC2=CC(C(OCC(C)C)=O)=CC=C2)=O)=CC=C1)=O,0.0
75986,CO-ADD:0154906,-7.45,O=C1C2=NON=C2CCCN1,0.0
75987,CO-ADD:0154880,-7.45,N#CC1(C#N)C(N)=C(C2=CCSCC2C1C3=CC=CS3)C#N,0.0
75988,CO-ADD:0155887,-7.45,O=C([C@@]1([H])[C@@]2([H])[C@H](CO3)O[C@H]3C([C@]([H])2[C@]4([H])N1C5=C(C=CC=C5)C=C4)=O)C6(CC7C8)CC8C[C@@H](C7)C6,0.0
75989,CO-ADD:0155895,-7.45,N#CC(C(C1=CC=C([N+]([O-])=O)S1)C(C2=O)=C(C(C=CC=C3)=C3O2)O4)=C4N,0.0
75990,CO-ADD:0155657,-7.45,O=C(NC(C=C1)=CC=C1NC(C2=CC=CC=C2)=O)C3CC3CCCCCCCC,0.0
75991,CO-ADD:0155169,-7.45,O=S1(N=C(C2=C1C=CC=C2)NC3=CC=CC4=CC=CC=C34)=O,0.0
75992,CO-ADD:0158512,-7.45,CC1=CC=C(C)C=C1NC2=NC(NC3=CC=CC(C)=C3)=NC(N(CC)CC)=N2,0.0
75993,CO-ADD:0154885,-7.45,N#CC1=C(SCC(C2=CC=C(Br)C=C2)=O)N=C(C3=CC=CC=C3)C=C1C4=CC=CC=C4,0.0
75995,CO-ADD:0137858,-7.45,O=C1NC(N2C3=NC4=C(N3)C=CC=C4)=C(C(C)=N2)C(C5=CC(OC)=CC=C5)C1,0.0
75996,CO-ADD:0149273,-7.45,COc(cc(c(c(c(n1)c2)cc(c2O3)OC3)c(c1C4)C(O4)=O)cc5)c5,0.0
75997,CO-ADD:0149465,-7.45,c1(C(=O)OCC)c(c(cc2)ccc2)n(c(cc3Cl)ccc3)nn1,0.0
75998,CO-ADD:0148667,-7.45,c12c(C(CC(=O)N1)c3ccc(cc3)F)snc2c4cccc(F)c4,0.0
76000,CO-ADD:0148936,-7.45,c1(C(c2ccccc2)=O)onc(C(N)=O)c1N,0.0
76003,CO-ADD:0149407,-7.46,c(c(OC)c1OC)c(c2onc(Cc(cc3)ccc3OC)n2)cc1OC,0.0
76004,CO-ADD:0149004,-7.46,c1(nc(c2n1Cc3cccc(OC)c3)cccc2)c4nonc4N,0.0
76005,CO-ADD:0149012,-7.46,c(cc1c(CN(C(C(C2)N(C3=O)Cc(c2ccc4)c4)=O)C3C1)c5)c5,0.0
76006,CO-ADD:0154897,-7.46,O=C1N(CC2=CC=CC=C2)C(C3C4C=CC(C4)C13)=O,0.0
76007,CO-ADD:0154867,-7.46,N#CC1=C(C(C=CC=C2)=C2F)C(C(C(C#N)=C1N)=CC3)CN3C(OC(C)(C)C)=O,0.0
76008,CO-ADD:0154956,-7.46,N#CC1=C(N)OC(CC(C)(C)C2)=C(C2=O)C1C(C=C3)=CC=C3OCC,0.0
76009,CO-ADD:0155893,-7.46,N#CC1(C#N)[C@H](C2=CC=C([N+]([O-])=O)S2)[C@H](N3[C@]1([H])C=CC4=C3C=CC=C4)C(C5=CC=CC=C5)=O,0.0
76010,CO-ADD:0155146,-7.46,O=C(N(C1=CC=CC(Cl)=C1)N=C/2C)C2=C/NC3=CC=CC=N3,0.0
76011,CO-ADD:0155878,-7.46,[O-][N+]([C@H]1[C@H]([C@@H]2O[C@H]3OC2)C[C@@]3(O)NC1=O)=O,0.0
76012,CO-ADD:0155654,-7.46,O=C(C1=CC(Br)=CC=C21)N(C(C=C3)=CC=C3C(OCCCCCCCCCC)=O)C2=O,0.0
76013,CO-ADD:0163914,-7.46,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3[N+](=O)[O-])N(CC)CC)c3,0.0
76014,CO-ADD:0163474,-7.46,[N+](=O)([O-])c1c(OC)ccc(\C(\C)=N\NC(=O)\C(=C/c(cc2)ccc2N(CC)CC)\NC(c3ccccc3)=O)c1,0.0
76015,CO-ADD:0149083,-7.46,c([nH]nn1)(c2ccccc2NCc(ccn3)cc3)n1,0.0
76018,CO-ADD:0149328,-7.47,C(c(c1O2)ccc(OC)c1)(c(cc(OC)cc3OC)c3)C(=C2C4)C(O4)=O,0.0
76021,CO-ADD:0148620,-7.47,s1cc(c2c1C(c3ccc(OCc4cc(F)ccc4)cc3)CC(=O)N2)c(cc(c5OC)OC)cc5,0.0
76022,CO-ADD:0148946,-7.47,c1(nc(c2n1Cc(ccc(c3OCC)OCC)c3)cccc2)c4nonc4N,0.0
76023,CO-ADD:0149130,-7.47,COc1ccc(NC(=O)C(=O)c(c(cc2)c([nH]3)cc2F)c3)cc1,0.0
76024,CO-ADD:0149034,-7.47,c1(c2c([nH]c1)cccc2)C(=O)C(=O)NCc(ccc(c34)OCO3)c4,0.0
76025,CO-ADD:0149120,-7.47,c1(c2ccccc2NCc(ccn3)cc3)nnc(Nc(ccc(c45)OCO4)c5)o1,0.0
76026,CO-ADD:0148940,-7.47,c1(nc(c2n1CC(=O)Nc(cc3)ccc3OC(F)(F)F)cccc2)c4nonc4N,0.0
76027,CO-ADD:0154871,-7.47,N#CC(C(C1=C(C)C=CS1)C(C2=O)=C(C(C=CC=C3)=C3O2)O4)=C4N,0.0
76028,CO-ADD:0155415,-7.47,O=C(C1=C2C=CC(OC3=CC4=C(C=C3)C(N(C5=CC=CC(C(O)=O)=C5)C4=O)=O)=C1)N(C2=O)C6=CC(C(O)=O)=CC=C6,0.0
76029,CO-ADD:0158658,-7.47,O=C(CC1=CC=CC=C1)NC(C=CC=C2)=C2NC(CC3=CC=CC=C3)=O,0.0
76030,CO-ADD:0158537,-7.47,[O-][N+](C(C=C1)=CC=C1/C=N/NC(CN2N=NC3=C2C=CC=C3)=O)=O,0.0
76031,CO-ADD:0163350,-7.48,c1(\C=N\NC(COc2ccc(cc2Br)OC)=O)c(OCC)ccc(cccc3)c13,0.0
76032,CO-ADD:0163358,-7.48,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccc(cc2Br)OC)=O)OC)c1,0.0
76033,CO-ADD:0163415,-7.48,c(\C=N\NC(=O)\C(=C/c(ccc(c12)OCO1)c2)\NC(c3ccccc3)=O)(c(C)c(Br)c(c4C)O)c4O,0.0
76034,CO-ADD:0163423,-7.48,C(CNc1cccc(C)c1)(=O)N\N=C\c2cccc(cccc3)c23,0.0
76035,CO-ADD:0163911,-7.48,C(=O)(Nc(cc1)ccc1Cl)CCN(CC2)CCO2.Cl,0.0
76036,CO-ADD:0163725,-7.48,C(C(C)C)(=O)N\N=C/c1ccccc1OCCCCCC,0.0
76037,CO-ADD:0140042,-7.48,O=[N+](C1=CC=C(C2=C(NC3=CC=CC=C3)C=CC4=C2C=CC=C4)C=C1)[O-],0.0
76038,CO-ADD:0154297,-7.48,CC(C=C1)=CC=C1C(SNNC2=NC(C)=NC3=C2C(C)=NN3C4=CC=CC=C4)O,0.0
76039,CO-ADD:0154334,-7.48,NC(N=C(NCC#C)C(C#N)=C1C2=CC=CC=C2)=C1C#N,0.0
76040,CO-ADD:0154391,-7.48,O=C(NNC(C)CC(C)C)C1=CC2=CC=CC=C2N1,0.0
76041,CO-ADD:0154339,-7.48,NC(OC1=NNC(C)=C1C2C3=CC(OC)=CC=C3)=C2C#N,0.0
76042,CO-ADD:0154340,-7.48,NC(OC1=NNC(C)=C1C2C3=CC(O)=C(O)C=C3)=C2C#N,0.0
76043,CO-ADD:0154422,-7.49,O=C(N/N=C/C1=CC=C(C)C=C1)C2=CNC3=C2C=CC=C3,0.0
76044,CO-ADD:0160312,-7.49,[O-][N+](C(C=C(C=C1)[N+]([O-])=O)=C1N/N=C/C(C)=C/C2=CC=C(C=C2)C(OC)=O)=O,0.0
76045,CO-ADD:0156005,-7.49,[O-][N+](C1=CC(C)=CC(C)=C1NC(C(C(O2)=O)=CC3=C2C=CC=C3)=O)=O,0.0
76046,CO-ADD:0156021,-7.49,BrC1=CC2=C(C=C1)N(CN3CCOCC3)C4=C2C=CC=C4,0.0
76047,CO-ADD:0160283,-7.49,ClC1=C(OC)C=CC(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=CC=C4)=C1,0.0
76048,CO-ADD:0161586,-7.49,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2C)=O)N3CCCC3)c1,0.0
76049,CO-ADD:0161459,-7.49,S(=O)(=O)(c1ccc(cc1)N)Nc2cc(OC)nc(OC)n2,0.0
76050,CO-ADD:0158646,-7.49,O=C(COC1=CC=CC=C1)NC(C(Br)=C2)=C(Br)C=C2OC,0.0
76051,CO-ADD:0158518,-7.49,BrC1=CC(Cl)=CC(/C=N/C2=CC=C(C=C2)C3=NC4=CC(C)=CC=C4O3)=C1O,0.0
76052,CO-ADD:0158550,-7.49,O=C(N/N=C/C1=CC=CC(OC)=C1)CN2N=NC3=C2C=CC=C3,0.0
76053,CO-ADD:0155426,-7.49,FC(F)(F)C1=C(C2=CC=C(Cl)C=C2)SC(NC3=C(C)C=CC(C)=C3)=N1,0.0
76054,CO-ADD:0158574,-7.49,[O-][N+](C(C=C1)=CC=C1/C=N/NC2=NC(NC3=CC=C(C=C3)[N+]([O-])=O)=NC(N(CCCC)CCCC)=N2)=O,0.0
76055,CO-ADD:0155448,-7.49,C1(C2=CC(C#CC(C=C3)=CC=C3SC4=CC=CC=C4)=CC=C2)=NC5=C(C=CC=C5)N=C1C6=CC=CC(C#CC(C=C7)=CC=C7SC8=CC=CC=C8)=C6,0.0
76056,CO-ADD:0163365,-7.49,c1(c(O)c(\C=N\NC(COc2ccc(cc2Br)OC)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
76057,CO-ADD:0163482,-7.49,[nH]1c2c(c(cc(Br)cc3Br)c13)cc(Br)cc2Br,0.0
76058,CO-ADD:0163322,-7.5,n1c(c(ccc(c2Cl)Cl)c2)csc1Nc(cc3)ccc3Br.Br,0.0
76059,CO-ADD:0163754,-7.5,C(=O)(N\N=C\c(ccc(c1OCC)OCCC)c1)C(=O)Nc2cccc(OC)c2,0.0
76060,CO-ADD:0163402,-7.5,c1(c(OC)cc(c(\C=N\NC(CNC(=O)c2cccc(F)c2)=O)c1)OC)[N+](=O)[O-],0.0
76061,CO-ADD:0163915,-7.5,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(cc2)ccc2Br,0.0
76062,CO-ADD:0140019,-7.5,O=[N+](C1=CC=CC=C1C2=CC=CC=C2NC3=CC=CC=C3)[O-],0.0
76063,CO-ADD:0154294,-7.5,CC1=NC2=C(C(NCC3=CC=CC=C3)=N1)C=NN2C4=CC=CC=C4,0.0
76064,CO-ADD:0154295,-7.5,CC1=NN(C2=CC=CC=C2)C3=C1C(NC4=CC=CC=C4)=NC=N3,0.0
76065,CO-ADD:0154296,-7.5,CC1=NN(C2=CC=CC=C2)C3=C1C(NO)=NC(C)=N3,0.0
76066,CO-ADD:0162934,-7.5,C(=O)(N\N=C\c(cc1)ccc1C(C)C)C(=O)Nc2cccc(C)c2,0.0
76067,CO-ADD:0162958,-7.5,c1(O)c(OC)cc(cc1Br)\C=N\NC(CNc2cccc(cccc3)c23)=O,0.0
76068,CO-ADD:0161777,-7.5,C(CNc1ccccc1)(=O)N\N=C/c2ccc(cc2Cl)Cl,0.0
76069,CO-ADD:0161296,-7.5,c(C(=O)Nc(cccc1C(F)(F)F)c1)(c2N)sc3c2cc(c4n3)CCC4,0.0
76070,CO-ADD:0161600,-7.5,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)F)c1,0.0
76071,CO-ADD:0161564,-7.5,C(COc(cc1)ccc1F)(=O)N\N=C\c2ccccc2OCCCCCCCC,0.0
76072,CO-ADD:0161284,-7.5,C(C(OCC)=O)(C1c2ccccc2)=C(CSc3c(cc(c4n3)CCCCCC4)C#N)OC(N)=C1C#N,0.0
76073,CO-ADD:0161300,-7.5,c12c(nc(c3cccs3)cc1c4cccs4)sc(c(cc([O-])n5)O)c25.[Na+],0.0
76074,CO-ADD:0159767,-7.51,O=C(O1)C(OC2=CC=CC=C2)=C(Br)C1CN.Cl,0.0
76075,CO-ADD:0158661,-7.51,CC1=CC=C(C)C=C1NC2=NC(N/N=C/C3=CC=C(C(OC)=C3)OC)=NC(N4CCOCC4)=N2,0.0
76076,CO-ADD:0158685,-7.51,O=C(/C(C1=CC(C)=CC(Br)=C12)=N\NC(COC(C(OC)=C3)=CC=C3Br)=O)N2C,0.0
76077,CO-ADD:0155470,-7.51,[O-][N+](C(C=CC=C1)=C1N(C2=CC=CC=C2)/C=C3C(N(N=C/3C)C(C=C4C)=CC=C4C)=O)=O,0.0
76078,CO-ADD:0155409,-7.51,O=C(NC1=C/2C=CC=C1)C2=N\NC(CNC3=CC=C4C=CC=CC4=C3)=O,0.0
76079,CO-ADD:0156398,-7.51,[O-][N+](C1=CC=C(Cl)C=C1N(C(C2=C3C=CC=C2)=O)N=C3C)=O,0.0
76080,CO-ADD:0156103,-7.51,[O-][N+](C1=CC=CC=C1OCC(N/N=C(C)/C(C=C2)=CC=C2OC)=O)=O,0.0
76081,CO-ADD:0163705,-7.51,C(CCc1ccccc1)(=O)Nc(cc2)ccc2OCCCCC,0.0
76082,CO-ADD:0163318,-7.51,C(=O)(NCC(=O)N\N=C\c(cc1)ccc1N(C)C)c2ccco2,0.0
76083,CO-ADD:0163710,-7.51,c1(c2ccccc2)nn[nH]c1\C=N\NC(=O)c3ccc(cc3)OCCCCCCCCCC,0.0
76084,CO-ADD:0163475,-7.51,C(=C\c(cc1)ccc1N(CC)CC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc(OCO3)c3c4)c4Br,0.0
76085,CO-ADD:0163483,-7.51,C(=N\NC(=O)c(cccc1[N+](=O)[O-])c1)(/c(cc(C)cc2)c2N3C)\C3=O,0.0
76086,CO-ADD:0163723,-7.51,C(=O)(N\N=C\c1cccc(cccc2)c12)C(=O)Nc3cccc(Cl)c3,0.0
76087,CO-ADD:0137726,-7.52,Cn1c([N+](=O)[O-])cnc1C(=O)N2CCOCC2,0.0
76088,CO-ADD:0137626,-7.52,c(C(c1ccccc1)=O)(c(N)c(c23)ccc(c4cccs4)n2)s3,0.0
76089,CO-ADD:0154511,-7.52,O=C(/C(N1)=C/C2=CN(C)C3=C2C=CC=C3)NC1=S,0.0
76090,CO-ADD:0162954,-7.52,S(=O)(=O)(CCC(C)=O)c1ccc(cc1)Cc(cc2)ccc2S(=O)(=O)CCC(C)=O,0.0
76091,CO-ADD:0162124,-7.52,c1(ccc(\C=N\NC(c(cc2)ccn2)=O)o1)N(CC3)CCO3,0.0
76092,CO-ADD:0162420,-7.52,C(=O)(c1ccc(cc1)NC(=O)c2ccc(cc2)NC(CCCCC)=O)Nc3ccccc3C,0.0
76093,CO-ADD:0162428,-7.52,N1(C(=O)c2ccc(cc2)Cl)C(O)(c3ccc(cc3)Br)CC(C(OC)=O)=N1,0.0
76094,CO-ADD:0162920,-7.52,C(COc(cc1)ccc1Br)(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
76095,CO-ADD:0159807,-7.52,O=C(C1=CC=CC=C1)N/N=C/C2=CC=C(N3CCOCC3)O2,0.0
76096,CO-ADD:0161465,-7.52,C1(=O)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C/c(cc4)ccc4OC,0.0
76097,CO-ADD:0161257,-7.52,C1(=O)N(\N=C\c(cccc2[N+](=O)[O-])c2)C(C)=CC(C)=C1C(N)=O,0.0
76098,CO-ADD:0161265,-7.52,C(C#N)(C1c2ccc(cc2)OCc3ccccc3)=C(N)OC(CCCC4=O)=C14,0.0
76099,CO-ADD:0160084,-7.52,[O-][N+](C1=CC(C(N2CCN(CCNC(C(NC3=CC=C(C)C=C3)=O)=O)CC2)=O)=CC=C1)=O,0.0
76100,CO-ADD:0160484,-7.53,ClC(C=C(Cl)C=C1)=C1/C=N/C2=C(O)C=C(C)C=C2,0.0
76101,CO-ADD:0156119,-7.53,O=C(C1=CC=C(Cl)C=C1)OC2=C(C3=CC=CC=C3C=C2)/C=N/C4=CC=CC=C4,0.0
76102,CO-ADD:0156395,-7.53,O=C1C(C(C2=C(Cl)C(Cl)=CC=C2)C(C(CC3(C)C)=O)C(C3)=O)=C(O)CC(C)(C)C1,0.0
76103,CO-ADD:0156068,-7.53,ClC1=C(C=CC(Cl)=C1)C2=NC(C=C3/N=C/C4=CC=CC=C4Cl)=C(C=C3)O2,0.0
76104,CO-ADD:0154931,-7.53,N#CC1=C(SC)N=C(C2CC2)C=C1C3=CC=CC=C3,0.0
76105,CO-ADD:0154854,-7.53,OC(N(C1=CC=CC=C1)N=C2C)=C2/C=N/NC(CSCC3=CC=C(C=C3)Cl)=O,0.0
76106,CO-ADD:0163363,-7.53,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(COc3ccc(cc3Br)OC)=O)o1,0.0
76107,CO-ADD:0163492,-7.53,c1(\C=N\NC(COc2ccc(cc2Br)OC)=O)cc(Cl)ccc1O,0.0
76108,CO-ADD:0163464,-7.53,C(COc1cccc(C)c1)(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
76109,CO-ADD:0163944,-7.53,C(=C/c(cc1)ccc1[N+](=O)[O-])(/C(=O)N\N=C\c(cc2)ccc2F)\C(=O)N\N=C\c(cc3)ccc3F,0.0
76110,CO-ADD:0163916,-7.53,C1(C2=O)C(C(C=C3)OC13CNC(=O)c(cc4)ccc4C(C)(C)C)C(N2c(cc5)ccc5[N+](=O)[O-])=O,0.0
76111,CO-ADD:0162079,-7.53,C(=C/c(cc(OCO1)c1c2)c2Cl)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
76112,CO-ADD:0162439,-7.53,N(\C(=C\c(cc1)cc(c1OC(C)=O)OCC)\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
76113,CO-ADD:0162413,-7.53,C(=O)(c1ccc(cc1)NC(c2ccccc2)=O)Nc3ccc(cc3C)Cl,0.0
76114,CO-ADD:0162885,-7.53,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(=O)C(O)c2ccccc2,0.0
76115,CO-ADD:0162780,-7.54,N(c(cc1)ccc1NC(=O)\C=C\c(cc2)ccc2Br)=Nc3ccccc3,0.0
76116,CO-ADD:0162876,-7.54,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)Nc2ccc(cc2C)Cl,0.0
76117,CO-ADD:0160088,-7.54,O=C(C(C=C1)=CC=C1C(C)(C)C)NC2=NC=C(C)C=C2,0.0
76118,CO-ADD:0159941,-7.54,[O-][N+](C1=CC(C(OC/2=O)=NC2=C/C3=CC=C(C)C=C3)=CC=C1)=O,0.0
76119,CO-ADD:0160001,-7.54,OC(C(OC)=CC=C1)=C1/C=N/C2=CC(N=C(C(C=C3)=CC=C3OC)O4)=C4C=C2,0.0
76120,CO-ADD:0160385,-7.54,O=C(COC1=CC=C(C)C=C1)N/N=C/C2=CC=C(C3=CC=C(Cl)C=C3)O2,0.0
76121,CO-ADD:0159981,-7.54,ClC1=C(C=CC(Cl)=C1)C2=NC3=CC(/N=C/C4=C(O)C=CC(Br)=C4)=CC=C3O2,0.0
76122,CO-ADD:0160526,-7.54,O=C(N/N=C(C)/C=N/NC(CNC1=CC(Br)=C(Br)C=C1Br)=O)CNC2=CC(Br)=C(Br)C=C2Br,0.0
76123,CO-ADD:0154903,-7.54,C(C1=C2NN=N1)(N=NN3)=C3C4=C2N=NN4.Cl,0.0
76124,CO-ADD:0155527,-7.54,O=C(S/1)N(CNC2=CC=C(CCCC)C=C2)C(C1=C\C3=CC=CC=C3O)=O,0.0
76125,CO-ADD:0158523,-7.54,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C(C)/C2=CC=C(C3=CC=CC=C3)C=C2,0.0
76126,CO-ADD:0158623,-7.54,O=S(N1CCOCC1)(C2=CC(C(NC3=CC=C(C=C3)C(C)=O)=O)=CC=C2)=O,0.0
76127,CO-ADD:0163421,-7.54,c1(c2ccc(cc2)I)ccc(\C=N/NC(COc3cccc(C)c3)=O)o1,0.0
76128,CO-ADD:0163453,-7.54,c1(O)c(Br)cc(cc1Br)\C=N\NC(=O)c(ccc(c23)OCCO2)c3,0.0
76129,CO-ADD:0163469,-7.54,C(=O)(Oc1ccc(cc1\C=N\NC(COc2ccc(cc2Br)Cl)=O)Br)c3ccco3,0.0
76130,CO-ADD:0163333,-7.55,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(cc2)ccn2,0.0
76131,CO-ADD:0163905,-7.55,C1(=S)N(c2ccc(cc2)Br)C3(\C(=N\c(cc4)ccc4C(OCC)=O)\N1)CCCCC3,0.0
76132,CO-ADD:0162250,-7.55,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3Br)nc(Nc4cccc(Br)c4)n1,0.0
76133,CO-ADD:0161956,-7.55,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
76134,CO-ADD:0161996,-7.55,c1(coc(ccc(O)c2)c12)C(=O)c3ccco3,0.0
76135,CO-ADD:0161650,-7.55,c1(\C=N\NC(COc(cc2)ccc2I)=O)cc(OC)ccc1OCc3cccc(Br)c3,0.0
76136,CO-ADD:0162902,-7.55,C(O)(=O)c1cccc(c1)\N=C\c(cc2)ccc2OCc(cc3)ccc3Br,0.0
76137,CO-ADD:0154322,-7.55,NC1=C2C(CCCC2)=NC3=C1C(C4=CC=C(C=C4)OC)C5=C(O3)C=CC6=C5C=CC=C6,0.0
76138,CO-ADD:0160574,-7.55,O=S(NC(CC1=CC=CC=C1)C(N/N=C/C2=CC=C(C=C2)OCC3=C(C=CC=C4)C4=CC=C3)=O)(C5=CC=C(C)C=C5)=O,0.0
76139,CO-ADD:0160204,-7.55,O=C([H])C1=CC=C(C2=CC=C(C(Cl)=C2)Cl)O1,0.0
76140,CO-ADD:0160644,-7.55,O=C(COC1=CC=CC=C1C)N/N=C/C2=CC=CC(OC)=C2O,0.0
76141,CO-ADD:0156015,-7.55,O=C1OC(C(C(Cl)=C2)=CC=C2Cl)=N/C1=C\C3=C(Cl)N(N=C3C)C4=CC=CC=C4,0.0
76142,CO-ADD:0161332,-7.55,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCCN(C)C)c3cccs3,0.0
76143,CO-ADD:0155531,-7.55,IC1=CC=C(C=C1)/C=N/C2=CC(C(O3)=NC4=C3C=C(C)C(C)=C4)=CC=C2,0.0
76144,CO-ADD:0156176,-7.55,O=C(COC1=C(Cl)C=C(Cl)C=C1)NC2=CC=CC=C2OC,0.0
76145,CO-ADD:0156416,-7.56,[O-][N+](C(C=C1)=CC=C1C(OC2=CC=CC=C2/C=N/C3=CC=C(C=C3)N4CCOCC4)=O)=O,0.0
76146,CO-ADD:0156465,-7.56,ClC1=C(C)C(/C=N/C2=CC3=C(C=C2)OC(C4=C(Cl)C=CC(Cl)=C4)=N3)=C(O)C=C1C,0.0
76147,CO-ADD:0156348,-7.56,O=C([C@H]1C2C34CC3)N(C5=C(C)C=C(C)C=C5)C([C@@H]1[C@H]4C=C2)=O,0.0
76148,CO-ADD:0156172,-7.56,IC1=CC=C(C=C1)/C=N/C2=CC=CC(C(O3)=NC4=C3C=CC(C)=C4)=C2,0.0
76149,CO-ADD:0162659,-7.56,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(=O)CC(OC(C)C)=O)c3ccccc3,0.0
76150,CO-ADD:0162195,-7.56,C(COc(cc1)ccc1CCCC)(=O)N\N=C\c2cccc(OC)c2OC,0.0
76151,CO-ADD:0162580,-7.56,c1(ccc(COC)o1)C(=O)Nc2ccccc2C(O)=O,0.0
76152,CO-ADD:0162312,-7.56,[N+](=O)([O-])c(cccc1C(=O)N\N=C(/C)\c2ccc(C)o2)c1,0.0
76153,CO-ADD:0162608,-7.56,C(C(OCC)=O)(=C(CSc1nc(C)c(c(C)c1C#N)C)OC(=C2C#N)N)C2c3ccccc3OC,0.0
76154,CO-ADD:0162277,-7.56,c1(N(CC2)CCO2)nc(N\N=C/c(cccc3[N+](=O)[O-])c3OC)nc(Nc4cccc(Br)c4)n1,0.0
76155,CO-ADD:0154475,-7.56,CC(CCC1=CNC2=CC=CC=C21)=O,0.0
76156,CO-ADD:0163015,-7.56,C(=C\c(ccc(c1OC)OC)c1)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3cc(C)ccc3O,0.0
76157,CO-ADD:0161422,-7.56,S(=O)(=O)(Nc(cc1)ccc1OC)c2c(C)ccc(c2)C(=O)Nc(cc3)ccc3OC,0.0
76158,CO-ADD:0161750,-7.56,C(c1ccccc1)(=O)Oc2cc(ccc2OC(c3ccccc3)=O)\C=N\NC(CNC(=O)c4ccc(c(OC)c4)OC)=O,0.0
76159,CO-ADD:0162936,-7.56,C(=O)(N\N=C\c1c(cccc1Cl)F)C(=O)Nc2c(C)cccc2C,0.0
76160,CO-ADD:0162815,-7.57,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c3ccccc3Br)c1,0.0
76161,CO-ADD:0160118,-7.57,O=S(C1=C(Cl)C=CC(C(NC(C=C2)=CC=C2NC(C3=CC=CC=C3)=O)=O)=C1)(N(CC)CC)=O,0.0
76162,CO-ADD:0156008,-7.57,O=C(C(C=CC=C1)=C1C)NC2=C(C(OCC)=O)C(CCCC3)=C3S2,0.0
76163,CO-ADD:0161617,-7.57,C(c(cc1)ccn1)(=O)N\N=C\c(ccc(c2I)OC)c2,0.0
76164,CO-ADD:0160323,-7.57,O=C(N/N=C/C1=CC(OCC2=CC=CC=C2)=CC=C1)CC3(CCCCC3)O,0.0
76165,CO-ADD:0160539,-7.57,O=C(C)OC(C(Br)=C1)=C(Br)C=C1/C=N/C2=CC=CC3=C2C=CC=C3,0.0
76166,CO-ADD:0160511,-7.57,O=S(OC1=C(Br)C=C(Br)C=C1C)(C2=CC=CC3=CC=CC=C23)=O,0.0
76167,CO-ADD:0156396,-7.57,O=C1C2=C(CC(C)(C)C1)OC(CC3(C)C)=C(C(C3)=O)C2C4=CC(Cl)=C(C(Cl)=C4)O,0.0
76168,CO-ADD:0154851,-7.57,[O-][N+](C1=CC=C(C(/C=N/NC(C2=CN=CC=C2)=O)=C1)F)=O,0.0
76169,CO-ADD:0158713,-7.57,N#CC(C(C(F)(F)F)=C1)=C(SCC(NC2=CC=C(OC)C=C2)=O)N=C1C3=CC=CS3,0.0
76170,CO-ADD:0156074,-7.57,O=C1/C(N=C(C2=CC=CC(Cl)=C2)O1)=C\C3=CC(OC)=C(OC)C(OC)=C3,0.0
76171,CO-ADD:0162209,-7.57,c1(N(CC2)CCO2)nc(N\N=C\c(cccc3[N+](=O)[O-])c3)nc(Nc4cc(C)ccc4C)n1,0.0
76172,CO-ADD:0162574,-7.57,N1(c2cccc(C)c2C)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
76173,CO-ADD:0162694,-7.58,C(C1)(C2c3ccc(cc3)F)=C(OC(N)=C2C#N)\C(\CN1C(C)C)=C\c(cc4)ccc4F,0.0
76174,CO-ADD:0162284,-7.58,c1(N(CC2)CCO2)nc(N\N=C/c3ccc(cc3OCC)OCC)nc(Nc4cccc(Br)c4)n1,0.0
76175,CO-ADD:0162300,-7.58,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2Br)\C=N\NC(=O)c3ccccc3OC,0.0
76176,CO-ADD:0162324,-7.58,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O)o2,0.0
76177,CO-ADD:0162360,-7.58,C(=O)(c1ccc(cc1)NC(CCCCC)=O)NC(C)(C)C,0.0
76178,CO-ADD:0162093,-7.58,N(CC(C)(C1)CC2(C)CN1Cc3cccc(Br)c3)(C2)C(=S)Nc4ccccc4,0.0
76179,CO-ADD:0161811,-7.58,c(Nc(cc1)ccc1OC)(nc(N\N=C\c2cccc(F)c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
76180,CO-ADD:0161380,-7.58,N1=C(c2ccccc2)CC(C#N)N1c3ccccc3,0.0
76181,CO-ADD:0161212,-7.58,c(c1c(s2)CCCC1)(C(=O)N3N)c2N=C3c4ccccc4C,0.0
76182,CO-ADD:0161412,-7.58,c1c(cccc1N(C)C)NC(CCc2ccccc2)=O,0.0
76183,CO-ADD:0160646,-7.58,O[C@H]([C@H]1O)[C@@H](NC(C=C2)=CC=C2Br)O[C@@H]1[C@@H](CO)O,0.0
76184,CO-ADD:0160151,-7.58,O=C(O1)C(C2=CSC(/N=C/C(C=CC=C3)=C3O)=N2)=CC4=C1C=CC=C4,0.0
76185,CO-ADD:0156001,-7.58,[O-][N+](C(C=C1)=C(NCC(C)O)C=C1N2CCN(C)CC2)=O,0.0
76186,CO-ADD:0161118,-7.58,C(=O)(NCC(=O)N\N=C\c(cc1)cc(c1OC(C)=O)OC)c2ccco2,0.0
76187,CO-ADD:0160191,-7.58,[O-][N+](C1=CC(C(O2)=O)=C(C=C1)N=C2/C=C/C3=CC=C(C=C3)[N+]([O-])=O)=O,0.0
76188,CO-ADD:0155986,-7.58,O=C(NC1=CC=C(OC)C=C1)CCN2CCN(C)CC2.Cl.Cl,0.0
76189,CO-ADD:0156514,-7.58,[O-][N+](C(C=C1)=CC=C1C(C(C2=CC=C(C=C2)[N+]([O-])=O)=O)=O)=O,0.0
76190,CO-ADD:0156146,-7.58,O=C(CSC1=CC=CC=C1C)N/N=C/C2=CC=C(C(OC)=C2)OC,0.0
76191,CO-ADD:0156338,-7.58,O=C1/C(C2=CC(C)=CC=C2N1C)=N\NC(COC(C=C3)=CC=C3OC)=O,0.0
76192,CO-ADD:0156346,-7.58,O=C(N1C)/C(C2=C1C=CC(C)=C2)=N/NC(C3=CN=CC=C3)=O,0.0
76193,CO-ADD:0156178,-7.59,O=C(C1=C2C=CC=C1)N(/N=C/C3=CC=CC=C3C)C2=O,0.0
76194,CO-ADD:0156186,-7.59,O=C(N/N=C/C1=CC=CC(Cl)=C1)C(C)OC2=CC=CC3=C2C=CC=C3,0.0
76195,CO-ADD:0162581,-7.59,c1(ccc(COC)o1)C(=O)Nc(cc2)ccc2C(O)=O,0.0
76196,CO-ADD:0162605,-7.59,C(C(OCC)=O)(=C(CSc1c(cc(c2n1)CCC2)C#N)OC(=C3C#N)N)C3c4cccc(c4)OCc5ccccc5,0.0
76197,CO-ADD:0162690,-7.59,C(O1)(\C(\C2)=C\c(cc3)ccc3F)=C(CN2Cc4ccccc4)C(C(C#N)=C1N)c5ccc(cc5)F,0.0
76198,CO-ADD:0162575,-7.59,C(=C\c1ccccc1)(/NC(C)=O)\C(O)=O,0.0
76199,CO-ADD:0162263,-7.59,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c2cccc(O)c2,0.0
76200,CO-ADD:0162175,-7.59,C(c1ccccc1)(=O)Oc2ccc(cc2OCC)\C=N\NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O,0.0
76201,CO-ADD:0162956,-7.59,c1(ccc(c(cccc2)c12)Br)CC(=O)N\N=C(/C)\C=C\c3ccco3,0.0
76202,CO-ADD:0163004,-7.59,[N+](=O)([O-])c1ccc(cc1\C=N\NC(=O)c(ccc(n2)C)c2)O,0.0
76203,CO-ADD:0161216,-7.59,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)NCc4ccccc4)n2,0.0
76204,CO-ADD:0163005,-7.59,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C\C=C\c2ccccc2,0.0
76205,CO-ADD:0161161,-7.6,c1(c(Br)cc(cc1\C=N\NC(=O)c(c2)cc(cn2)Br)Br)OC(=O)c3ccco3,0.0
76206,CO-ADD:0163121,-7.6,N1(c2ccc(cc2)Br)C(=O)CC(N3CCC(CC3)C)C1=O,0.0
76207,CO-ADD:0160168,-7.6,O=S(C1=CC=C(C([N+]([O-])=O)=C1)C)(NC2=CC=C(C=C2)C3=NC(C=C4)=C(C=C4C)S3)=O,0.0
76208,CO-ADD:0160051,-7.6,OC1=CC=CC=C1C2=NNC(C3=C(C=CC=C4)C4=CC5=C3C=CC=C5)S2,0.0
76209,CO-ADD:0159840,-7.6,O=S(N(CC(NCC1=CC=C(OC)C=C1)=O)C(C=C2Cl)=CC=C2C)(C3=CC=CC=C3)=O,0.0
76210,CO-ADD:0160033,-7.6,C1(N2CCCCC2)=NC(NC3=CC=CC=C3)=NC(N/N=C/C4=CC=CC=C4)=N1,0.0
76211,CO-ADD:0160057,-7.6,NC1=C(C(C2=CC=CC=C2)=O)SC3=C1C(C4=CC=C(C)C=C4)=CC(C5=CC=C(I)C=C5)=N3,0.0
76212,CO-ADD:0160073,-7.6,O=C1NC(C(C)=CC=C2)=C2/C1=N/NC(C(C=C3)=CC=C3OC)=O,0.0
76213,CO-ADD:0156373,-7.6,O=C(O)C1=CC(C2=CC=C(/C=N/N3C=NN=C3)O2)=CC=C1Cl,0.0
76214,CO-ADD:0155629,-7.6,O=C(NC1=CC=CC(C(O)=O)=C1)C2CC2CCCCCCCC,0.0
76215,CO-ADD:0158769,-7.6,O=C(COC1=CC=C(C=C1)C(C)CCC)N/N=C/C2=C(Cl)C=C(Cl)C=C2,0.0
76216,CO-ADD:0158758,-7.6,O=C(OC1=C(OC)C=C(C=O)C=C1)C(C(Cl)=C2)=CC=C2Cl,0.0
76217,CO-ADD:0156243,-7.6,O=S(C(C=C1C)=CC=C1C)(CCC(C)=O)=O,0.0
76218,CO-ADD:0156459,-7.6,BrC1=CC(/C=N/C2=CC(N=C(C3=CC(C)=C(C)C=C3)O4)=C4C=C2)=C(O)C=C1,0.0
76219,CO-ADD:0162295,-7.61,c(\C=N\NC(COc(cc1)ccc1C(C)(C)CC(C)(C)C)=O)(cc(Br)cc2Br)c2OC,0.0
76220,CO-ADD:0162199,-7.61,C(CNc(cc1)ccc1C)(=O)N\N=C\c2ccccc2F,0.0
76221,CO-ADD:0162478,-7.61,S1(=O)(=O)c2c(C(N(C)\N=C\c(ccc(c3Br)OC)c3)=N1)ccc(c2)[N+](=O)[O-],0.0
76222,CO-ADD:0162755,-7.61,N(=C\c1ccccc1Br)/NC(CCCc2ccccc2)=O,0.0
76223,CO-ADD:0162907,-7.61,N(=C\c1ccccc1Cl)/NC(CCCC(=O)Nc(cc2)ccc2Br)=O,0.0
76224,CO-ADD:0154418,-7.61,CC(OC1=O)(C)OC(C1=CC2=CC=C(C=C2)[N+]([O-])=O)=O,0.0
76225,CO-ADD:0162258,-7.61,n1c2c(oc1c3ccc(c4c3)cccc4)ccc(c2)\N=C\c5cc(Br)cc(OC)c5O,0.0
76226,CO-ADD:0163317,-7.61,[N+](=O)([O-])c1cccc(\C(\C)=N\NC(=O)Cc2cccc(cccc3)c23)c1,0.0
76227,CO-ADD:0163828,-7.62,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3C)C(=O)Oc(cc4)ccc4\C=N\c(cc5)ccc5C,0.0
76228,CO-ADD:0163852,-7.62,C(=O)(c1cccc(c1)OC(NCC=C)=S)Nc2ccccc2,0.0
76229,CO-ADD:0162544,-7.62,C(=C/c(ccc1c2ccccc2[N+](=O)[O-])o1)(/C(=O)NC(N3)=O)\C3=O,0.0
76230,CO-ADD:0163872,-7.62,C(=O)(N\N=C(/C)\CC(=O)Nc1cccc(C)c1)C(NCCOC)=O,0.0
76231,CO-ADD:0159849,-7.62,[O-][N+](C1=CC2=C(C=C1)N=C(SC3=CC=C(/C=N/NC(C4=CC=CO4)=O)O3)S2)=O,0.0
76232,CO-ADD:0160077,-7.62,O=C(N1)C2(C3=C1C=CC(CC)=C3)SC(C4=CC=CC=C4)=NN2,0.0
76233,CO-ADD:0159746,-7.62,O=C(N/N=C/C1=CC2=C(N=C1Cl)C=CC=C2)C3=NON=C3N,0.0
76234,CO-ADD:0159805,-7.62,ClC(C=C1)=C(C=C1Cl)N(C(C2=CC=CC=C2OC)C3)N=C3C(C=C4)=CC=C4Cl,0.0
76235,CO-ADD:0159853,-7.63,[O-][N+](C1=CC2=C(C=C1)N=C(SC3=CC=C(/C=N/C4=CC=C(C=C4)C5=CC=CC=C5)O3)S2)=O,0.0
76236,CO-ADD:0159869,-7.63,S=C1NC(/C=C/C2=CC=CC=C2)C(C(OCC)=O)=C(C)N1,0.0
76237,CO-ADD:0156131,-7.63,O=C(N/N=C/C1=CC=C(Br)C=C1)C2=CC3=C(C=C2)CN(C4=CC=CC=C4)C3,0.0
76238,CO-ADD:0156347,-7.63,O=C1N(C)C2=CC(/N=C/C3=CC=CC([N+]([O-])=O)=C3)=CC=C2N1C,0.0
76239,CO-ADD:0155843,-7.63,O=C(C)NC1=CC(OC2=CC=C(C=C2)C(C)(C)C(C=C3)=CC=C3OC4=CC=CC(NC(C)=O)=C4)=CC=C1,0.0
76240,CO-ADD:0155571,-7.63,O=C(C1=CC=CC(Br)=C1)N(C(C2=CC=C(Cl)C=C2)(O)C3)N=C3C(F)(F)F,0.0
76241,CO-ADD:0158735,-7.63,O=C(COC(C=C1)=CC=C1C)N/N=C/C2=CC(OC)=C(O)C(I)=C2,0.0
76242,CO-ADD:0158743,-7.63,O=C(OC1=C(/C=N/NC(CC2=C(C=CC=C3)C3=CC=C2)=O)C=C(Br)C=C1)C(C=CC=C4)=C4Cl,0.0
76243,CO-ADD:0154478,-7.63,CN(C=C1)C(C1=C2)=CC=C2OC,0.0
76244,CO-ADD:0154327,-7.63,C#CCN(C(C(C#N)=C1C2=CC=CC=C2)=NC(SC3=CC=CC=C3)=C1C#N)C,0.0
76245,CO-ADD:0154330,-7.64,NC1=NC2=C(CN(CC3=CC=CC=C3)CC2)C(C4=CC=CC=C4)=C1C#N,0.0
76246,CO-ADD:0154288,-7.64,CC1=NC2=C(C3=NC(C4=CC=CC=C4)=NN31)C(C)=NN2C5=CC=CC=C5,0.0
76247,CO-ADD:0154490,-7.64,O=C1OC(C2=CC=CC=C2)=NC1=CC3=CC=C(C=C3)[N+]([O-])=O,0.0
76248,CO-ADD:0161678,-7.64,o1c(C)ccc1\C=C\C=N\NC(COc2ccc(cc2Cl)Cl)=O,0.0
76249,CO-ADD:0161647,-7.64,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc2c(Br)cc(cc2Br)C)=O,0.0
76250,CO-ADD:0161839,-7.64,[N+](=O)([O-])c1cccc(\C=N\Nc(nc(Nc(cc2)ccc2[N+](=O)[O-])nc3Nc(cc4)ccc4OC)n3)c1O,0.0
76251,CO-ADD:0161701,-7.64,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2c(OCC)ccc(cccc3)c23,0.0
76252,CO-ADD:0161690,-7.64,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2OCC)cc(c2O)Br,0.0
76253,CO-ADD:0161698,-7.64,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)ccc2OC(=O)c3ccc(cc3)Br,0.0
76254,CO-ADD:0161986,-7.64,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\CCCCCCCCCCC,0.0
76255,CO-ADD:0161622,-7.64,N1\C(=N/N=C/c2ccc(cc2OC)OC)\S\C(=C\c(c(O)ccc3[N+](=O)[O-])c3)\C1=O,0.0
76256,CO-ADD:0160672,-7.64,O=C(N/N=C(CCCCC)/C1=CC=CC=C1)C(C2)C2C3=CC=CC=C3,0.0
76257,CO-ADD:0155995,-7.64,O=C(C1)N(C(C=C2)=CC=C2C)CC1C(NC(C(C)=C3)=CC=C3C)=O,0.0
76258,CO-ADD:0160641,-7.64,O=C1C2=C(N=C(C)O1)C(C(COC)=C3)=C(N=C3C)S2,0.0
76259,CO-ADD:0155996,-7.64,N#CC(C(N)=N1)=C(C(C=C2)=CC=C2C(C)C)C=C1C(C=C3)=CC=C3OC,0.0
76260,CO-ADD:0160186,-7.65,O=C(N/N=C/C1=CN=CC=C1)CN2N=NC3=C2C=CC=C3,0.0
76261,CO-ADD:0158740,-7.65,[O-][N+](C1=C(Br)C=CC(/C=N/C2=CC(N=C(C(C=C3)=CC=C3C)O4)=C4C=C2)=C1)=O,0.0
76262,CO-ADD:0156302,-7.65,O=C(NC1=C/2C=CC=C1)C2=N\NC(COC3=C(Br)C=C(Br)C=C3OC)=O,0.0
76263,CO-ADD:0158714,-7.65,N#CC(C(C(F)(F)F)=C1)=C(SCC(C2=CC=C(Br)C=C2)=O)N=C1C3=CC=CS3,0.0
76264,CO-ADD:0158738,-7.65,O=C(N/N=C/C1=CC(OC)=C(C(I)=C1)O)C(C2=CC=CC=C2)(O)C3=CC=CC=C3,0.0
76265,CO-ADD:0155606,-7.65,[O-][N+](C1=CC=CC(OCC(N/N=C2C(NC3=C\2C=CC=C3)=O)=O)=C1)=O,0.0
76266,CO-ADD:0156257,-7.65,O=C(C1=CC(C(OCC(C2=CC=CC=C2)=O)=O)=CC=C31)N(C(C=C4)=CC=C4OC5=CC=CC=C5)C3=O,0.0
76267,CO-ADD:0161718,-7.65,c1(O)c(OCC)cc(cc1I)\C=N\NC(COc2ccc(cc2Cl)Cl)=O,0.0
76268,CO-ADD:0161899,-7.65,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(C)c2)=O)F)c1,0.0
76269,CO-ADD:0162745,-7.65,C1(C#N)=C(N)OC(=C2C1c(ccc3c4ccccc4Cl)o3)CCCC2=O,0.0
76270,CO-ADD:0162913,-7.65,n1c(cc(cc1c2ccc(c3c2)cccc3)c4ccc(cc4)Cl)c5ccc(c6c5)cccc6,0.0
76271,CO-ADD:0162370,-7.66,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c34)OCO3)c4)nc(Nc(cccc5[N+](=O)[O-])c5)n1,0.0
76272,CO-ADD:0149252,-7.66,c1(c2cc(c(cccc3)c3)[nH]1)cc([N+](=O)[O-])cc2O,0.0
76274,CO-ADD:0162002,-7.66,n1(c2ccccc2)c(S)nnc1c(cc3)ccc3[N+](=O)[O-],0.0
76275,CO-ADD:0161872,-7.66,N(=C(/CC)\c1ccccc1)/NC(CNc(cc2)ccc2C)=O,0.0
76276,CO-ADD:0162011,-7.66,c1(C#N)c(C)cc(nc1SCC(=O)Nc2cccc(OCCCC)c2)C,0.0
76277,CO-ADD:0161920,-7.66,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c(cc4)ccc4Cl,0.0
76278,CO-ADD:0161681,-7.66,c1(O)c(OCC)cc(cc1I)\C=N\NC(=O)C(c2ccccc2)c3ccccc3,0.0
76279,CO-ADD:0160610,-7.66,O=C(NCCCC(O)=O)C1=CC=CC=C1Cl,0.0
76280,CO-ADD:0160258,-7.66,CN(C)C(C=C1)=CC=C1/C=N/NC2=NC(N3CCOCC3)=NC(N4CCCC4)=N2,0.0
76281,CO-ADD:0160282,-7.66,ClC1=C(OC)C=CC(/C=N/C2=CC(N=C(C3=CC=CC(C)=C3)O4)=C4C=C2)=C1,0.0
76282,CO-ADD:0158612,-7.66,O=C(C1=C2C=CC(C(O)=O)=C1)N(C(C=C3)=CC=C3C(OCCCC)=O)C2=O,0.0
76283,CO-ADD:0155436,-7.67,S=C(N(CC)CC)OC1=CC=C(C=C1)C(NC2=CC=CC(C)=C2C)=O,0.0
76284,CO-ADD:0155569,-7.67,COC1=CC=C(C=C1)C2=NC3=C(C(C=CC=C4)=C4C=C3)C(C5=CC6=C(C=CC=C6)O5)=C2,0.0
76285,CO-ADD:0158717,-7.67,[O-][N+](C1=CC(Cl)=CC=C1N[C@H](O[C@@H](C)[C@@H]2O)[C@H](O)[C@@H]2O)=O,0.0
76286,CO-ADD:0155831,-7.67,N#CC1=C(C)C=C(NC2=CC=C(C=C2)S(CCO)(=O)=O)N3C1=NC4=C3C=CC(C)=C4,0.0
76287,CO-ADD:0155780,-7.67,O=C(OCC)CC1=NN=C(N)S1,0.0
76288,CO-ADD:0155620,-7.67,O=C(C(C=C1)=CC=C1NC(CCCCCCCCC)=O)NC2=CC=C(O)C(C(O)=O)=C2,0.0
76289,CO-ADD:0158784,-7.67,[O-][N+](C1=CC=CC=C1/C=N/NC(C2=CC(C)=CC=C2)=O)=O,0.0
76290,CO-ADD:0162422,-7.67,C(=O)(c1ccc(cc1)NC(CCCCC)=O)Nc2cccc(CC)c2,0.0
76291,CO-ADD:0154514,-7.67,[H]N(C(C)=O)CCC1=CC=CC=C1,0.0
76292,CO-ADD:0154452,-7.67,O=C(NNC(CC)CC)C1=CC(C=CC=C2)=C2N1C,0.0
76293,CO-ADD:0162098,-7.67,N1(c(c(ccc2N3C(=O)c(c4C3=O)ccc(c4)[N+](=O)[O-])OC(F)(F)C([H])(F)F)c2)C(=O)c(c5C1=O)ccc(c5)[N+](=O)[O-],0.0
76294,CO-ADD:0154302,-7.67,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC=C(C=C4OC)OC)C#N,0.0
76295,CO-ADD:0154308,-7.67,NC1=C2C(CCCC2)=NC3=C1C(C4=CC=C(C=C4)[N+]([O-])=O)C5=C(O3)C6=C(C=CC=C6)C=C5,0.0
76296,CO-ADD:0137865,-7.67,O=C1NC(N2C3=NC4=C(N3)C=CC=C4)=C(C(C)=N2)C(C5=CC=C(OC)C=C5)C1,0.0
76298,CO-ADD:0137896,-7.67,O=C(C1)NC(N2C3=NC4=C(N3)C=CC=C4)=C(C(C)=N2)C1C5=CC=C(OCC(N)=O)C=C5,0.0
76299,CO-ADD:0161936,-7.67,c1(c(O)c(\C=N\c(ccc(c2OC)OC)c2)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
76300,CO-ADD:0158600,-7.67,O=C(C1CCC(CC)CC1)NC2=CC=C(C)C=C2,0.0
76301,CO-ADD:0155477,-7.68,O=S(NC1=NC(OC)=NC(OC)=C1)(C(C=C2)=CC=C2N/C=C3C(N(N=C\3C)C4=CC=C(C)C=C4)=O)=O,0.0
76302,CO-ADD:0155488,-7.68,BrC(C=C(OCO1)C1=C2)=C2/C=N/C3=CC(C4=NC(C=C5)=C(C=C5C)O4)=C(Cl)C=C3,0.0
76303,CO-ADD:0158532,-7.68,O=C(COC(C(Br)=C1)=CC=C1Cl)N/N=C/C2=CC=CC3=CC=CC=C23,0.0
76304,CO-ADD:0155783,-7.68,O=C(NCCN1CCCCC1)C2=CC=CC=C2C.Cl,0.0
76305,CO-ADD:0158632,-7.68,O=C(C1=C2C=CC(Br)=C1)N(C3=CC(C(OCC(C)C)=O)=CC=C3)C2=O,0.0
76306,CO-ADD:0155607,-7.68,O=C(OC1CCCCCCCCCCC1)C2=CC=CC=C2NC(C3=CC=CC=C3)=O,0.0
76307,CO-ADD:0158787,-7.68,O=C(CCCCCCCCC(N/N=C(C)\C(C=C1)=CC=C1Br)=O)N/N=C(C)\C(C=C2)=CC=C2Br,0.0
76308,CO-ADD:0155570,-7.68,OC(C(/C=N/C1=CC=C(C=C1)C(O2)=NC3=C2C=C(C)C(C)=C3)=CC(Br)=C4)=C4OC,0.0
76309,CO-ADD:0155904,-7.68,N#CC1=C(N)OC(NN=C2C)=C2C1C3=CC=C([N+]([O-])=O)S3,0.0
76310,CO-ADD:0158508,-7.68,CC1=CC(C)=CC=C1NC2=NC(N3CCOCC3)=NC(NC4=CC(C)=CC=C4C)=N2,0.0
76311,CO-ADD:0149711,-7.68,O=C1CC(C2=CC=CC=C2)C(C#N)=C(N)N1,0.0
76312,CO-ADD:0149687,-7.68,Cl/C=C(C1)/N2C(C(C#N)=CC(C#N)=C2N1C)=O,0.0
76313,CO-ADD:0240634,-7.68,c12c(c3c(cccc3)c(cccc4)c14)nc(ccc5C(=O)N(CC6)CCN6c7ccccc7)c(c5)n2,0.0
76314,CO-ADD:0242510,-7.68,N1(C(C)c2ccccc2)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
76315,CO-ADD:0240789,-7.68,S(NCCCCCC(OC)=O)(=O)(=O)c(cc1)ccc1[N+](=O)[O-],0.0
76316,CO-ADD:0242056,-7.69,c12c(nnc(SCC(=O)N(c3c4cccc3)c5c(S4)cccc5)n1)c6c(cccc6)n2CC,0.0
76317,CO-ADD:0242702,-7.69,c(cc(cccc1)c1n2)(c23)\C(=N\c4cccc(C)c4)\c5c3cccc5,0.0
76318,CO-ADD:0242524,-7.69,S(=O)(=O)(c1ccc(cc1)NS(c2ccccc2)(=O)=O)Nc3nccc(C)n3,0.0
76319,CO-ADD:0244263,-7.69,C(=C(/O)\c1ccccc1)/C(=O)C(c2ccccc2)c3ccccc3,0.0
76320,CO-ADD:0245742,-7.69,n1nc(c2n1c(ccc(c3C#N)C#N)c3)cccc2,0.0
76321,CO-ADD:0244904,-7.69,C1(C2NC(=S)N1)N(C)C(=S)N2,0.0
76322,CO-ADD:0242969,-7.69,O1C(=O)c(c2C1=O)ccc(C(=O)c3ccc(cc3)Oc(cc4)ccc4C(O)=O)c2,0.0
76323,CO-ADD:0245872,-7.69,C1(C(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)CC1C(=O)N\N=C\c(cccc3[N+](=O)[O-])c3,0.0
76324,CO-ADD:0244694,-7.69,C(/C#N)(=C/c1ccccc1)\C(=O)Nc2ccccc2OC,0.0
76325,CO-ADD:0240995,-7.69,C(C#N)(C1c2scc(Br)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)C,0.0
76326,CO-ADD:0240980,-7.69,S(c1ccccc1)(=O)(=O)N(c2c(OC)ccc(OC)c2)CC(=O)N3CCCCC3,0.0
76327,CO-ADD:0241033,-7.69,[N+](=O)([O-])c1c(NCCOc2ccccc2)ccc(c1)C(F)(F)F,0.0
76328,CO-ADD:0246105,-7.69,C(C(F)(F)F)(N1)=C(\C=N\C2CC2)C(N1c(cc3)ccc3[N+](=O)[O-])=O,0.0
76329,CO-ADD:0244213,-7.69,N1(c2cccc(c2)c3csc(Nc(cc4)ccc4Br)n3)C(=O)c5c(cccc5)C1=O.Br,0.0
76330,CO-ADD:0244201,-7.69,n1c2c([nH]c1c3ccc(cc3)N)cc4c(cccc4)c2,0.0
76331,CO-ADD:0245572,-7.69,C(=C\c(cc1)ccc1OCc(cc2)ccc2Cl)/C(=O)c3ccc(cc3)OC,0.0
76332,CO-ADD:0245039,-7.7,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCC(OCC)=O,0.0
76333,CO-ADD:0241646,-7.7,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)\N=C\c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)n1,0.0
76334,CO-ADD:0242234,-7.7,c1(cc(C)c(cc1[N+](=O)[O-])C)c2ccc(\C=N\NC(N)=O)o2,0.0
76335,CO-ADD:0242042,-7.7,S1(=O)(=O)c(cccc2)c2C(NCC(CCCC)CC)=N1,0.0
76336,CO-ADD:0242627,-7.7,c1(\N=C\c(cc(Br)cc2Br)c2O)sc(c(CCN3Cc4ccccc4)c1C(OCC)=O)C3,0.0
76337,CO-ADD:0240211,-7.7,c1(c2ccccc2C#N)nnn(CC(NN)=O)n1,0.0
76338,CO-ADD:0241598,-7.7,N1(C2c3ccccc3)C(S\C(=C\c(cc4)ccc4OC)\C1=O)=NC(\C(\CCC5)=C/c6ccccc6)=C25,0.0
76339,CO-ADD:0240670,-7.7,C(=N/c1ccccc1)(/S\C(\C2=O)=C/c(cc3)ccc3Cl)\N2,0.0
76340,CO-ADD:0244513,-7.71,c1(OCC(=O)N\N=C(/C)\c2ccccc2)c(Br)cc(cc1Br)Br,0.0
76341,CO-ADD:0244779,-7.71,[N+](=O)([O-])c(cc1)cc(c1N2CCCCC2CC)\C=N\c(ccc(c34)c5c(cccc5)o3)c4,0.0
76342,CO-ADD:0244842,-7.71,C(C)N(C(=S)N1CC)C(C1N2)N3C(S\C(=C(/C4=O)\c5c(cccc5)N4CCCC)\C3=O)=N2,0.0
76343,CO-ADD:0244713,-7.71,C(/C(C(F)(F)F)C(F)(F)F)(=N\N=C/1\C(F)(F)F)\C(\C(F)(F)F)=N/N=C\1/C(C(F)(F)F)C(F)(F)F,0.0
76344,CO-ADD:0244830,-7.71,C(C)N(C(=O)N1CC)C(C1N2)N3C(S\C(=C(/C4=O)\c5c(cccc5)N4CC)\C3=O)=N2,0.0
76345,CO-ADD:0244323,-7.71,C1(c2ccc(cc2)C)(c3ccc(cc3)C)CC1C(=O)Nc(ccc(c4Cl)Cl)c4,0.0
76346,CO-ADD:0242759,-7.71,N1(NC(=O)c2ccccc2Cl)C(=O)C(C3C1=O)C4C5(C3C=C4)CC5,0.0
76347,CO-ADD:0242754,-7.71,N1(CNc(cccc2C(F)(F)F)c2)C(=S)OC(c3ccccc3Cl)=N1,0.0
76348,CO-ADD:0242008,-7.71,S(=O)(=O)(N1CCCCC1)c2c(C)ccc(c2)C(=O)Nc3sc(c4c3C#N)CCC4,0.0
76349,CO-ADD:0241282,-7.71,[nH]1c(cccc2)c2c(CCNC(c3ccccc3)=O)c1,0.0
76350,CO-ADD:0241999,-7.71,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(C3(C)C1=O)C(CC34)C=C4,0.0
76351,CO-ADD:0245284,-7.71,c1(SCC(=O)Nc2ccc(cc2C)C)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
76352,CO-ADD:0245417,-7.71,c1(N2CCCCC2)nc(N\N=C\c(c(cccc3)c3n4Cc5ccc(cc5Cl)Cl)c4)nc(Nc(cc6)ccc6F)n1,0.0
76353,CO-ADD:0246181,-7.71,N1(c2ccccc2[N+](=O)[O-])C(=O)C(C(C1=O)C34\C=N\c5cccc(C)c5C)C(c(c36)cccc6)c(c47)cccc7,0.0
76354,CO-ADD:0242600,-7.71,[N+](=O)([O-])c(ccc(c1C(=O)NCc2ccco2)Cl)c1,0.0
76355,CO-ADD:0242560,-7.71,n1(c2c(nc1)cccc2)S(=O)(=O)c3ccc(cc3)F,0.0
76356,CO-ADD:0242489,-7.71,[N+](=O)([O-])c1ccc(cc1)NCCNC(=O)c2cccc(Br)c2,0.0
76357,CO-ADD:0242556,-7.71,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(cc3)ccc3OC)\C1=O)=O,0.0
76359,CO-ADD:0242569,-7.72,S(=O)(=O)(Oc(cc1)ccc1Cl)c2ccc(cc2C)Br,0.0
76360,CO-ADD:0240275,-7.72,C(=O)(NC1CC1)C(=O)Nc(cc2)ccc2Cl,0.0
76361,CO-ADD:0240111,-7.72,C(=O)(C(CCCC)(CCCC)O)NNc(cc1)ccc1C,0.0
76362,CO-ADD:0240227,-7.72,N1(c(cc2)ccc2S(=O)(=O)Nc(ccc(c3C)C)c3)C(=O)c4c(cccc4)C1=O,0.0
76363,CO-ADD:0240752,-7.72,n1(c2ccccc2OC)c(c3ccc(cc3)Br)cc4c1CC(C)(C)CC4=O,0.0
76365,CO-ADD:0240440,-7.72,c1(N\N=C/c(cc2OC)cc(c2O)Br)[nH]c(c3n1)cccc3,0.0
76366,CO-ADD:0244851,-7.72,C(N(c(c1)cccc1)C(=O)N2C)(C2N3)N=C4N3C(=O)\C(=C\c(ccc(Br)c5)c5)\S4,0.0
76367,CO-ADD:0241767,-7.72,C1(C#N)(C#N)[C@@H](c2ccc(c(Cl)c2)Cl)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C(C)(C)C,0.0
76368,CO-ADD:0244900,-7.72,C1(C2N(C)C(=S)N1C)N(C)C(=S)N2C,0.0
76369,CO-ADD:0242611,-7.72,c1(SCC(=O)NCc2ccccc2)sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n1,0.0
76370,CO-ADD:0241807,-7.73,c1(NC(=O)CC(c2ccccc2)NC(=O)C(F)(F)F)nnc(CCc3ccccc3)s1,0.0
76371,CO-ADD:0242763,-7.73,[N+](=O)([O-])c1ccc(cc1C)C(=O)Nc(cccc2NC(=O)c3ccccc3Cl)c2,0.0
76372,CO-ADD:0245372,-7.73,S(c1ccccc1)(=O)(=O)N(c2ccccc2)Cc(cc3)ccc3C(=O)NC(C)(C)C#C,0.0
76373,CO-ADD:0244785,-7.73,N1(c(cc2)ccc2C(=O)NNc3c(Cl)cc(cc3Cl)Cl)C(=O)c(c4C1=O)cccc4,0.0
76374,CO-ADD:0242970,-7.73,O1C(=O)CC(Cc2ccccc2)C1=O,0.0
76375,CO-ADD:0242932,-7.73,c1(nonc1N)\C(\c2ccccc2)=N/NC(=O)C(C)Oc(ccc(c34)cccc3)c4,0.0
76376,CO-ADD:0241254,-7.73,s1c(N)nnc1SCC(=O)Nc(cccc2[N+](=O)[O-])c2,0.0
76377,CO-ADD:0242317,-7.73,c1(c2ccco2)nc(n3c1\N=C\c(ccc4c(cc5)c(OC)cc5[N+](=O)[O-])o4)cccc3,0.0
76378,CO-ADD:0242301,-7.73,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc(OCO3)c3c4)c4Br,0.0
76379,CO-ADD:0242498,-7.73,[N+](=O)([O-])c1ccc(cc1)NCCCNC(=O)c2ccc(cc2)F,0.0
76380,CO-ADD:0242084,-7.73,C(c1ccc(cc1Cl)Cl)(OC(N2CO)=S)=N2,0.0
76381,CO-ADD:0242298,-7.74,c1(\C(\C#N)=C\c2cccs2)nc(c3n1Cc4ccc(cc4Cl)Cl)cccc3,0.0
76382,CO-ADD:0242055,-7.74,N(C(CSCCSCC(=O)N(c1c2cccc1)c3c(S2)cccc3)=O)(c4c5cccc4)c6c(S5)cccc6,0.0
76383,CO-ADD:0244172,-7.74,N(=C\c1cccc(cccc2)c12)/NC(CCc3ccccc3)=O,0.0
76384,CO-ADD:0242765,-7.74,N(=C(N\N=C\c1ccc(cc1O)O)NN=C2Cc3ccccc3)C2=O,0.0
76385,CO-ADD:0242643,-7.74,S(=O)(=O)(c1c(Cl)ccc(Cl)c1)n2c3c(nc2)cccc3,0.0
76386,CO-ADD:0241781,-7.74,C1(C#N)(C#N)[C@H](c2ccccc2)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C(C)(C)C,0.0
76387,CO-ADD:0242007,-7.74,S(=O)(=O)(c(cccc1C(=O)Oc(cccc2NC(=O)c3cccs3)c2)c1)N(CC4)CCO4,0.0
76388,CO-ADD:0241986,-7.74,C(C#N)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cccc4C(F)(F)F)c4,0.0
76389,CO-ADD:0245079,-7.74,c1(SCC(=O)NCc2ccccc2)[nH]c(c3n1)ccc(OC)c3,0.0
76390,CO-ADD:0245759,-7.74,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)F,0.0
76391,CO-ADD:0245702,-7.74,n1c(c(ccc(c2F)OC)c2)csc1Nc(cc3)ccc3OCC.Br,0.0
76392,CO-ADD:0242214,-7.74,C(=O)(C1CCCN1CCN(C)C)Nc2c(C)cc(cc2C)C,0.0
76393,CO-ADD:0242875,-7.74,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c3ccccc3OC)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
76394,CO-ADD:0242843,-7.74,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)\N=C\c4cc(Br)ccc4O)n1,0.0
76395,CO-ADD:0240879,-7.74,n1c2c(oc1c(cc3)ccc3N(C)C)ccc(c2)\N=C\c(cccc4[N+](=O)[O-])c4,0.0
76396,CO-ADD:0242599,-7.74,P(c1ccccc1)(c2ccccc2)(c3ccccc3)=Nc4ccccc4Br,0.0
76397,CO-ADD:0240902,-7.74,S(=O)(=O)(c1ccccc1Cl)NC(OC)=O,0.0
76398,CO-ADD:0240421,-7.74,n(c1C)(nnc1C(=O)N\N=C(/C)\c(cc2)cc(c2N3CCCCC3)F)c4nonc4N,0.0
76399,CO-ADD:0240233,-7.74,c12c(c3c(cccc3)c(cccc4)c14)nc(ccc5C(=O)Nc6cccc(Br)c6)c(c5)n2,0.0
76400,CO-ADD:0240793,-7.74,c1(c2ccc(cc2)OC)nc(sc1c(cc3)ccc3[N+](=O)[O-])\N=C/c(ccc(c4OC)OC)c4,0.0
76401,CO-ADD:0148884,-7.74,c1(C(=O)c2cc(OC)ccc2OC)oc(c3c1N)ccc(Br)c3,0.0
76402,CO-ADD:0148918,-7.75,c1(nc(c2n1CC(=O)Nc(ccc(c3F)C)c3)cccc2)c4nonc4NC(=O)c5ccc(cc5)F,0.0
76403,CO-ADD:0148851,-7.75,n1c(c2ccccc2)[nH]c(c3ccccc3)c1c4ccccc4,0.0
76404,CO-ADD:0148715,-7.75,c1(n[nH]cc1c2ccc(cc2)Cl)c3ccc(cc3O)OC,0.0
76406,CO-ADD:0149017,-7.75,c1(Nc(cc2)ccc2OC)sc(C(c(cc3)ccc3OC)=O)c(N)n1,0.0
76407,CO-ADD:0244590,-7.75,[N+](=O)([O-])c1ccccc1NC(=O)Nc(cc(C(C)(C)C)cc2NC(=O)Nc3ccccc3[N+](=O)[O-])c2CC,0.0
76408,CO-ADD:0241365,-7.75,[N+](=O)([O-])c1ccccc1NC(COC(=O)C(CCSC)NC(c2ccccc2)=O)=O,0.0
76409,CO-ADD:0246202,-7.75,[N+](=O)([O-])c(cc1)ccc1C2SCCN2,0.0
76410,CO-ADD:0246195,-7.75,C(C#N)(C(C#N)(C#N)C1C(N2c3ccc(cc3)OCCCC)=CCCC1)=C2N,0.0
76411,CO-ADD:0241191,-7.75,[N+](=O)([O-])c1ccccc1C(=O)Nc2cc(C)ccn2,0.0
76412,CO-ADD:0241344,-7.75,N1(CCc(ccc(c2OC)OC)c2)C(=S)SC(C)(C)C1N(O)C(NCCCC)=O,0.0
76413,CO-ADD:0241121,-7.75,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3cccc(F)c3)c4nonc4N,0.0
76414,CO-ADD:0244427,-7.75,n1c(C)nc(c(N)c1O)C.Cl,0.0
76415,CO-ADD:0241163,-7.75,C(=O)(N(C(C)C)C(C)C)C\C(\C)=N\NC(COc1ccc(cc1Cl)Cl)=O,0.0
76416,CO-ADD:0245727,-7.75,N1(C(c2ccccc2)=O)NC(=O)C(=C(c3ccccc3)C1(O)c4ccccc4)O,0.0
76418,CO-ADD:0244653,-7.75,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)OC)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4Br,0.0
76419,CO-ADD:0242237,-7.75,[N+](=O)([O-])c(cccc1c2ccc(\C=N\NC(N)=S)o2)c1,0.0
76420,CO-ADD:0240257,-7.76,c1(NC(C)=O)nc(nn1C(C)=O)SC,0.0
76421,CO-ADD:0240729,-7.76,C1(C#N)=C(N)NC(C(C#N)=C1CC(C)C)=S,0.0
76422,CO-ADD:0240328,-7.76,S(=O)(=O)(c1ccc(cc1)C)N(c2cccc(Cl)c2)CC(=O)Nc(cccn3)c3,0.0
76423,CO-ADD:0240719,-7.76,c1(C(=O)Nc2ccccc2[N+](=O)[O-])c(Cl)c3c(cccc3)s1,0.0
76424,CO-ADD:0242483,-7.76,C(C(OCC)=O)(=C1C)\C(=C\c2cccc(cccc3)c23)\C(N1c4ccc(cc4)OCC)=O,0.0
76425,CO-ADD:0149282,-7.76,c(N)(n1)c(C#N)c(N)c(c1Oc(cc2N)c3cc2)C3c(cc4OC)ccc4OC,0.0
76426,CO-ADD:0148801,-7.76,c(c(cc1)ccc1OC)(c2)n(c3c(N)non3)nn2,0.0
76427,CO-ADD:0153078,-7.76,O=C(C1=CC2=C(C=CC=C2)C=N1)NC3=CN(C)C(C(NC4=CN(C)C(C(NC5=CN(CCCN(C)C)C=N5)=O)=C4)=O)=C3.OC(C(F)(F)F)=O,0.0
76428,CO-ADD:0149608,-7.76,O=C(NC1CCN(CC2=CC=CC=C2)CC1)OC3=CC=C(NC(C(OCC)=O)=C4)C4=C3,0.0
76429,CO-ADD:0153054,-7.76,NC1=C(CN2N=NC(CO)=C2)C=NC(C)=N1,0.0
76430,CO-ADD:0242630,-7.76,c1(scc(c2ccc(cc2)Cl)n1)NC(=O)c(cccn3)c3,0.0
76431,CO-ADD:0242714,-7.76,c1(c(cccn2)c2)cc(c3[nH]1)ccc(C)c3,0.0
76432,CO-ADD:0246047,-7.76,n1(nnc(C(=O)N\N=C\c2cccc(Cl)c2)c1CN(CC)CC)c3nonc3N,0.0
76433,CO-ADD:0242648,-7.76,C(=C\c(cc1)ccc1F)(/NC(c2ccccc2)=O)\C(=O)NC(Cc3ccccc3)C(O)=O,0.0
76434,CO-ADD:0241770,-7.77,c(C(=O)c1ccc(cc1)C)(sc(c23)snc2SCC(=O)c4ccc(cc4)C)c3N,0.0
76435,CO-ADD:0245969,-7.77,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(N)c3)n1,0.0
76436,CO-ADD:0245299,-7.77,c1(SCC(=O)Nc2c(C)cccc2C)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
76437,CO-ADD:0242130,-7.77,c1(NC(CSc2nnc(C)[nH]2)=O)nnc(C)s1,0.0
76438,CO-ADD:0242129,-7.77,c1(SCC(=O)Nc2cc(on2)C)[nH]c(c3n1)cccc3,0.0
76439,CO-ADD:0242219,-7.77,S(C[C@@H]([C@@H]1N)O)C1.Br,0.0
76440,CO-ADD:0241478,-7.77,c1(N(C)C)nc(N\N=C\c(cc2)ccc2F)nc(NCc3ccccc3)n1.Cl,0.0
76441,CO-ADD:0241964,-7.77,C(C#N)(C1c2ccc(cc2)F)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
76442,CO-ADD:0240563,-7.77,C(=N/c1ccccc1)(/S\C(\C2=O)=C/c(ccc3c4cccc(Cl)c4Cl)o3)\N2,0.0
76443,CO-ADD:0240813,-7.77,c1(nonc1N)\C(=N\OCC(=O)Nc(cc2)ccc2F)\Nc(cc3)ccc3C,0.0
76444,CO-ADD:0240253,-7.77,S1(=O)(=O)c(cccc2)c2C(Nc3ccccc3C(C)C)=N1,0.0
76445,CO-ADD:0240795,-7.77,C(=C/c(cccc1[N+](=O)[O-])c1)(/n(c2)ncn2)\C(=O)c3ccc(cc3Cl)Cl,0.0
76446,CO-ADD:0240753,-7.77,c1(cc(ccc1Sc2nnc(N)s2)C(F)(F)F)[N+](=O)[O-],0.0
76447,CO-ADD:0240241,-7.77,c1(N(CC2)CCO2)nc(N\N=C\c3c4c([nH]c3C)cccc4)nc(Nc(ccc(c56)cccc5)c6)n1,0.0
76448,CO-ADD:0149763,-7.77,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC=CC=C4)C#N,0.0
76449,CO-ADD:0149802,-7.77,O=C(N[C@H](CC1)CC[C@@H]1OC(C)=O)C2=CC=CC=C2,0.0
76450,CO-ADD:0153096,-7.77,CN1C=C(NC(C2=CC=C(/C=C/C3=CC=C(C=CC=C4)C4=N3)C=C2)=O)C=C1C(NC5=CN(C)C(C(NCCN6CCOCC6)=O)=C5)=O.OC(C(F)(F)F)=O,0.0
76451,CO-ADD:0241985,-7.77,N1(c2ccccc2C(F)(F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(Br)s4,0.0
76452,CO-ADD:0246098,-7.77,n1c(c2ccc(cc2)CC(C)C)csc1Nc(cc3)ccc3F.Br,0.0
76453,CO-ADD:0246057,-7.78,n1(nnc(C(=O)N\N=C(\C2)/CCCC2)c1c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
76454,CO-ADD:0241557,-7.78,C(=O)(N\N=C\c1cccc(cccc2)c12)c3cccc(I)c3,0.0
76455,CO-ADD:0245786,-7.78,N1(c2cccc(c2)[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C(O)=O,0.0
76456,CO-ADD:0241990,-7.78,N1(c2cccc(Cl)c2C)C(CCCC3=O)=C3C(C(C#N)=C1N)c(ccs4)c4,0.0
76457,CO-ADD:0245641,-7.78,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c2cccc(OC)c2)n3c(cccc3)c1S(CCC)(=O)=O,0.0
76458,CO-ADD:0241854,-7.78,c1(N(CC2)CCO2)nc(N\N=C\c(cc3)ccc3N(C)C)nc(Nc4ccc(cc4Br)C)n1.Cl,0.0
76459,CO-ADD:0241136,-7.78,c1(cc(C)c(cc1[N+](=O)[O-])C)c2ccc(\C=N\N(c3ccccc3)c4ccccc4)o2,0.0
76460,CO-ADD:0244985,-7.78,N(C(=O)\C(\S1)=C\c2ccccc2)=C1N3CCCC3,0.0
76461,CO-ADD:0244388,-7.78,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(cc4)cc(c4OC(C)=O)OC)\C1=O,0.0
76462,CO-ADD:0244962,-7.78,N1(c2cccc(c2)C(=O)Nc(ccc(c34)cccc3)c4)C(=O)c(c5C1=O)ccc(c5)C(=O)Nc(ccc(c67)cccc6)c7,0.0
76463,CO-ADD:0240185,-7.78,N(C)(c1ccc(cc1)NC(=O)\C=C/C(O)=O)C(C)=O,0.0
76464,CO-ADD:0240174,-7.78,N1(CNc2cccc(Cl)c2)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
76465,CO-ADD:0240626,-7.78,N1(c2ccccc2C)C(=O)NC(\C(=C/c(c(cccc3)c3n4C)c4)\C1=O)=O,0.0
76466,CO-ADD:0240385,-7.78,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c(c3c([nH]4)cccc3)c4)c5nonc5N,0.0
76467,CO-ADD:0240419,-7.79,C(=O)(N\N=C\c1c(cccc1Cl)F)C(O)(c2ccccc2)c3ccccc3,0.0
76468,CO-ADD:0240403,-7.79,n(c1C)(nnc1C(=O)N\N=C(/C)\c(cccc2[N+](=O)[O-])c2)c3nonc3N,0.0
76469,CO-ADD:0149767,-7.79,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC=C(C=C4)[N+]([O-])=O)C#N,0.0
76470,CO-ADD:0153069,-7.79,CN1C=C(NC(C2=C(C(F)(F)F)N=C(N)S2)=O)C=C1C(NC3=CN(C)C(C(NCCC(N)=N)=O)=C3)=O.OC(C(F)(F)F)=O,0.0
76471,CO-ADD:0241568,-7.79,[C@H]1(C(=O)NNC(=O)c2cccs2)C[C@H]1c3ccccc3,0.0
76472,CO-ADD:0246051,-7.79,n1(nnc(C(=O)N\N=C\c2ccc(cc2Cl)Cl)c1CN3CCCCC3)c4nonc4N,0.0
76473,CO-ADD:0245972,-7.79,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCC(O)=O,0.0
76474,CO-ADD:0245324,-7.79,n(c(c1ccccc1)c2)c3c(c2C(=O)Nc(cc4)ccc4[N+](=O)[O-])cccc3Cl,0.0
76475,CO-ADD:0245556,-7.79,C(O)(C(OCC)=O)(NC(Cc1ccccc1)=O)C(F)(F)F,0.0
76476,CO-ADD:0244552,-7.79,C(=O)(c1ccc(cc1)Br)Nc2cc(C)ccc2C,0.0
76477,CO-ADD:0244989,-7.79,C(Nc(cc1)ccc1C(O)(C(OC)=O)C(F)(F)F)(C(OCC)=O)(C(F)(F)F)NC(OCC)=O,0.0
76478,CO-ADD:0242706,-7.79,C(=N/c1ccccc1)(/c(cccc2C)c23)\c(cccn4)c34,0.0
76479,CO-ADD:0241549,-7.79,c1(c(C)non1)N(Cc2ccccc2Cl)N=Nc3c(C)non3,0.0
76480,CO-ADD:0245715,-7.8,S(c1ccccc1)(=O)(=O)N(CC(=O)NC2CCCC2)c3c(OC)ccc(OC)c3,0.0
76481,CO-ADD:0241464,-7.8,c1(Nc(cccc2C(F)(F)F)c2)nc(NC)nc(N\N=C\c3ccccc3Cl)n1.Cl,0.0
76482,CO-ADD:0242350,-7.8,c1(C#N)c(SCc(cc2)ccn2)nc(cc1c3ccccc3OC)c4ccccc4,0.0
76483,CO-ADD:0240598,-7.8,N1(c2cccc(C)c2)C(=O)NC(\C(=C/c(c(cccc3)c3n4C)c4)\C1=O)=O,0.0
76484,CO-ADD:0240640,-7.8,n(c(NCC)nc(n1)NCC)c1C(O)=O,0.0
76485,CO-ADD:0240916,-7.81,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)Cc4ccccc4)(C)C)=C1c(cccc5C)c35,0.0
76486,CO-ADD:0240278,-7.81,n1(c2ccccc2)c(SCC(=O)Nc3cccc(C)c3C)nnc1c4ccc(c(OC)c4)OC,0.0
76487,CO-ADD:0244762,-7.81,n1(nnc(C(NN)=O)c1CN(CC)CC)c2nonc2N,0.0
76488,CO-ADD:0240558,-7.81,c(C(OCC)=O)(cnn1Cc2cccc(Cl)c2)c1C,0.0
76489,CO-ADD:0149597,-7.81,C#CCN(CC1=CC2=CC(OCCCC3CCN(CC4=CC=C(C5=C4C=CC=N5)OC)CC3)=CC=C2N1C)C,0.0
76490,CO-ADD:0149599,-7.81,C#CCN(CC1=CC2=CC(OCCCC3CCN(CC4=CC=C(OC(N(C)C)=O)C5=C4C=CC=N5)CC3)=CC=C2N1C)C,0.0
76491,CO-ADD:0149830,-7.81,NC(C(C#N)=C1)=NC(OCC)=C1C#N.Cl,0.0
76492,CO-ADD:0245392,-7.81,c1(N2CCCCC2)nc(N\N=C\c(cc3)ccc3Cl)nc(Nc(cc4)ccc4F)n1,0.0
76493,CO-ADD:0245949,-7.81,C(C(OCC)=O)(C1c2ccc(cc2)SC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
76494,CO-ADD:0242020,-7.81,S(=O)(=O)(c1ccc(cc1)Br)Nc2cccc(Cl)c2C,0.0
76495,CO-ADD:0246083,-7.81,S(=O)(=O)(c1ccc(cc1)NC(=O)C23CC(CC4C2)CC(C4)C3)Nc5nccc(C)n5,0.0
76496,CO-ADD:0242029,-7.82,C(C#N)(C(c(cc1OC)cc(c1OC)OC)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
76497,CO-ADD:0241959,-7.82,N1(c2ccc(cc2)OCC)C(=O)C(C3(C)C1=O)C(CC34)C=C4,0.0
76498,CO-ADD:0242385,-7.82,C1(C#N)(C#N)[C@H]([C@]([H])(C2)C(C(C(O)=O)=C1N)=CCN2Cc3ccccc3)c4ccc(C)o4,0.0
76499,CO-ADD:0240531,-7.82,S1(=O)(=O)c2c(C(Nc3cccc(Cl)c3C)=N1)ccc(c2)[N+](=O)[O-],0.0
76500,CO-ADD:0241896,-7.82,C(=C\c(c(O)ccc1[N+](=O)[O-])c1)(/C2=O)\C(=O)N(C(=O)N2C)C,0.0
76501,CO-ADD:0241912,-7.82,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)NC(C)(C)CC(C)(C)C,0.0
76502,CO-ADD:0242679,-7.82,c1(C#N)c2c(sc1\N=C\c3cccs3)CCCC2,0.0
76503,CO-ADD:0245732,-7.82,n1(c(C)c(nn1)\C(\C)=N\N=C\c2cccs2)c3nonc3N,0.0
76504,CO-ADD:0244764,-7.82,c12c(nnc(SCC(=O)Nc(cc3)ccc3Br)n1)c4c(cccc4)n2C,0.0
76505,CO-ADD:0240270,-7.82,N1=C(SCC(OCC)=O)S\C(=C\c(cccc2[N+](=O)[O-])c2)\C1=O,0.0
76506,CO-ADD:0240138,-7.82,[C@@](C)(CC1)([C@H]2\C(\C)=N\O)C(C[C@H]2C(C)[N+](=O)[O-])C(C13)CC=C(C[C@H](CC4)OC(C)=O)[C@@]34C,0.0
76507,CO-ADD:0240750,-7.82,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5c(cccc5Cl)Cl,0.0
76508,CO-ADD:0242468,-7.82,S(=O)(=O)(N(CC1)CCO1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c3ccccc3F,0.0
76509,CO-ADD:0246020,-7.83,N1(c(cc2)ccc2C(=O)N(C)c3ccc(c(C)c3)C)C(=O)c4c(cccn4)C1=O,0.0
76510,CO-ADD:0245935,-7.83,c1(C(C)C)cc(Br)c(cc1OCC(=O)N\N=C\c2ccccc2OCC)C,0.0
76511,CO-ADD:0246127,-7.83,C(C(OCC)=O)(C1c2ccc(cc2)SC)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
76512,CO-ADD:0245938,-7.83,c1(\C=N\NC(=O)c2ccccc2OCc3ccccc3)c[nH]c(ccc(Br)c4)c14,0.0
76513,CO-ADD:0241166,-7.83,S(c1ccccc1)(=O)(=O)N2CCSC2c(ccc(c3[N+](=O)[O-])OC)c3,0.0
76514,CO-ADD:0245656,-7.83,N1(CC=C)C(=O)\C(\SC1=S)=C/c2cccc(c2)OCc3ccc(cc3Cl)Cl,0.0
76515,CO-ADD:0240511,-7.83,N(C)(c1c(cc(C(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])c(C)n1)C(N3C)=O)C3=O,0.0
76516,CO-ADD:0242390,-7.83,C1(C#N)=C(N)Oc2c(ccc(c2)N)C1c3cccc(Br)c3,0.0
76517,CO-ADD:0244583,-7.83,N1(c2cccc(c2)NC(CCCCCCCCCCC)=O)C(=O)c3c(cc(cc3)Br)C1=O,0.0
76518,CO-ADD:0244435,-7.83,n(c1C)[nH]c(c1Cl)C,0.0
76519,CO-ADD:0245323,-7.84,[N+](=O)([O-])c1ccccc1NC(=O)c(cc2c3ccccc3)c(cccc4Cl)c4n2,0.0
76520,CO-ADD:0244953,-7.84,N1(CCCC1=O)CP(O)(=O)CCN2CCCC2=O,0.0
76521,CO-ADD:0240217,-7.84,n1(c(cc(C)cc2C)c2n3)c3S\C(=C/c(ccc(c4OC)OCc5ccc(cc5Cl)Cl)c4)\C1=O,0.0
76522,CO-ADD:0241564,-7.84,n1c2c(oc1c(cc3)ccc3N(C)C)ccc(c2)\N=C\c4cccc(OCC)c4O,0.0
76523,CO-ADD:0242296,-7.84,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c(c(C)c4)cc(c4[N+](=O)[O-])C)o3,0.0
76524,CO-ADD:0242578,-7.84,N(C(=O)\C(\S1)=C/c(cc2)ccc2C)=C1N3CCCCC3,0.0
76525,CO-ADD:0240758,-7.84,c1(c2ccccc2O)cc(c3ccccc3)nc(N\N=C\c(ccc(c4C)O)c4O)n1,0.0
76526,CO-ADD:0240672,-7.84,N(\C(=C/c1cccc(Cl)c1)\C(N2)=O)=C2c3ccccc3,0.0
76527,CO-ADD:0245636,-7.84,C(C#N)(C1c2cccs2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
76528,CO-ADD:0242157,-7.84,C(c1c(cccc1)NC2(C)C)(\C(=N\c3cccc(F)c3)\SS4)=C24,0.0
76529,CO-ADD:0242156,-7.84,c1(C(O)=O)c(Cl)c(c2s1)ccc(c2)[N+](=O)[O-],0.0
76530,CO-ADD:0246210,-7.84,[N+](=O)([O-])c(cccc1C(=O)Nc2cc(ccc2N3CCCCC3)C(F)(F)F)c1,0.0
76531,CO-ADD:0246198,-7.84,c1(Nc(cc2)ccc2\N=C\c(cc3)ccc3[N+](=O)[O-])nc(c4ccccc4)cc(c5ccccc5)n1,0.0
76532,CO-ADD:0246170,-7.85,c1(c2ccccc2Cl)nnn(CC(=O)N\N=C\c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3O)n1,0.0
76533,CO-ADD:0245076,-7.85,n1(c2cccc(cccc3)c23)nnnc1SCC(=O)Nc(cc4)ccc4CC,0.0
76534,CO-ADD:0244379,-7.85,S1(=O)(=O)c2c(C(NC(CC)CC)=N1)ccc(c2)[N+](=O)[O-],0.0
76535,CO-ADD:0241244,-7.85,N1(c2cc(OC)c(cc2C(O)=O)OC)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
76536,CO-ADD:0241197,-7.85,S(=O)(=O)(Nc1cccc(Cl)c1C)c2c(C(C)C)cc(cc2C(C)C)C(C)C,0.0
76537,CO-ADD:0240530,-7.85,C(=O)(OC(C)(C)C)NC(C)C(=O)Nc1ccc(cc1C)C,0.0
76538,CO-ADD:0241362,-7.85,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c(ccc(c3OC)OC)c3,0.0
76539,CO-ADD:0242811,-7.85,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(=O)c3ccco3)sc(c(ccc4[N+](=O)[O-])n1)c4,0.0
76540,CO-ADD:0241444,-7.85,n1(c2c(n3)cccc2)c3S\C(=C/c4cccc(cccc5)c45)\C1=O,0.0
76541,CO-ADD:0240936,-7.86,s1c(c2ccc(cc2)Br)nnc1NC(=O)c3ccc(c(OC)c3)OC,0.0
76542,CO-ADD:0244512,-7.86,N1(CN(CC)c2ccccc2)C(=O)\C(\SC1=O)=C\c3ccccc3,0.0
76543,CO-ADD:0240316,-7.86,N1(CN(CC2)CCN2Cc3ccccc3)c(cccc4)c4\C(=N\c5cccc(Cl)c5)\C1=O,0.0
76544,CO-ADD:0242984,-7.86,N(=C\c(cc1)ccc1N(CC)CC)/NC(Cc2ccccc2)=O,0.0
76545,CO-ADD:0240802,-7.86,c1(SCC(=O)Nc2c(C)cc(cc2C)C)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
76546,CO-ADD:0240218,-7.86,n1(\N=C/c2ccccc2C(F)(F)F)c(C)nnc1N\N=C\c3ccccc3C(F)(F)F,0.0
76547,CO-ADD:0245438,-7.86,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cccc(I)c5OC,0.0
76548,CO-ADD:0241694,-7.86,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccccc3)C2c4cccc(Cl)c4,0.0
76549,CO-ADD:0245414,-7.86,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2ccccc2Cl,0.0
76550,CO-ADD:0242856,-7.86,C(C#N)(C1c2sccc2C)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl.C(=O)O,0.0
76551,CO-ADD:0241261,-7.86,s1c(c2ccccc2)nnc1NC(CSc3nnc(C)[nH]3)=O,0.0
76552,CO-ADD:0241745,-7.86,C(C#N)(=C(N)OC(=C12)CC(CC1=O)c3ccccc3)C2c4ccccc4Br,0.0
76553,CO-ADD:0241435,-7.87,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3O)nc(Nc(cc4)ccc4F)n1,0.0
76554,CO-ADD:0244574,-7.87,C(=O)(Nc(cc1)ccc1NC(=O)Nc2c(C)cc(cc2C)C)Nc3c(C)cc(cc3C)C,0.0
76555,CO-ADD:0241378,-7.87,c1([N+](=O)[O-])nnn(CC(=O)N(c2ccccc2)c3ccccc3)n1,0.0
76556,CO-ADD:0245689,-7.87,C(C#N)(C1c2ccc(cc2)CC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
76557,CO-ADD:0245772,-7.87,N1(c2cccc(c2)C(=O)Nc(cc3)ccc3\C=C/C(c4ccccc4)=O)C(=O)c(c5C1=O)ccc(c5)C(=O)Nc(cc6)ccc6\C=C/C(c7ccccc7)=O,0.0
76558,CO-ADD:0244608,-7.87,n1(C)c2c(c(cccc3)c13)cccc2,0.0
76559,CO-ADD:0149715,-7.87,NC1=C2C(CCCC2)=NC(C1=C3)=NC(Cl)=C3C#N,0.0
76560,CO-ADD:0240473,-7.87,C1(=O)c2c(CN1CCSC(=S)N(CC3)CCS3)cccc2,0.0
76561,CO-ADD:0240756,-7.88,c1(N\N=C\c(cc(Cl)cc2Cl)c2O)nc(c3ccc(cc3)Br)cc(c4ccccc4)n1,0.0
76562,CO-ADD:0244601,-7.88,[N+](=O)([O-])c1c(C)ccc(c1)C(=O)Oc2ccc(cc2Cl)OC(=O)c(ccc(c3[N+](=O)[O-])C)c3,0.0
76563,CO-ADD:0242669,-7.88,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)O1)=C\c(cc3)ccc3C(C)(C)C,0.0
76564,CO-ADD:0240861,-7.88,C(=N/c(cc1)ccc1C(OCC)=O)(/c(cccc2)c23)\C=C(C3=O)O,0.0
76565,CO-ADD:0240760,-7.88,c1(N\N=C\c(cc2)ccc2Br)nc(c3ccccc3)cc(c4ccc(c(OC)c4)OC)n1,0.0
76566,CO-ADD:0241967,-7.88,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)Nc(ccc(c34)OCCO3)c4,0.0
76567,CO-ADD:0246055,-7.88,n1(nnc(C(=O)N\N=C\C=C(/C)\CC\C=C(/C)\C)c1c(cccc2[N+](=O)[O-])c2)c3nonc3N,0.0
76568,CO-ADD:0245811,-7.88,C12C(C1C(=O)N\N=C\c3ccccc3Br)CC\C=C/CC\C=C\CC2,0.0
76569,CO-ADD:0241278,-7.88,S(=O)(=O)(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccccc2[N+](=O)[O-],0.0
76570,CO-ADD:0245773,-7.88,N1(c2cccc(C)c2C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cccc(O)c4,0.0
76571,CO-ADD:0246108,-7.88,c(C(=O)c1ccc(cc1)Br)(sc(c23)nc(c(CC(=O)c4ccc(cc4)Br)c2C)C)c3N,0.0
76572,CO-ADD:0245690,-7.88,C(F)(F)(C(F)(F)C(F)F)C(F)(F)C(CC1=O)=Nc2c(N1)cccc2,0.0
76573,CO-ADD:0242878,-7.88,S(=O)(=O)(c(ccc(c12)C(=O)c3c(cccc3)C1=O)c2)NC(Cc(cc4)ccc4O)C(OCC)=O,0.0
76574,CO-ADD:0245441,-7.88,c(non1)(nc(OC)c(n2)N)c12,0.0
76575,CO-ADD:0241691,-7.88,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2cccc(Cl)c2,0.0
76576,CO-ADD:0242193,-7.88,N1(C(=O)CSC1c2ccc(cc2)Cl)c3ccc(c(Cl)c3)Cl,0.0
76577,CO-ADD:0242913,-7.89,c1(c2ccccn2)cc(c3[nH]1)ccc(C)c3,0.0
76578,CO-ADD:0245627,-7.89,c1(C2(CCCCC2)\N=C\c(cccc3[N+](=O)[O-])c3)nnnn1c4cccc(C)c4,0.0
76579,CO-ADD:0241465,-7.89,c1(N(C)C)nc(N\N=C\c(cc2)ccc2OC)nc(Nc(cc3)ccc3F)n1.Cl,0.0
76580,CO-ADD:0242403,-7.89,c1(cc(ccc1N2CCCC2)\C=N\NC(COc(cc3)ccc3C(C)(C)C)=O)[N+](=O)[O-],0.0
76581,CO-ADD:0241946,-7.89,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(CNC(c(cc2)ccn2)=O)=O)c3cccs3,0.0
76582,CO-ADD:0149669,-7.89,ClC(N=C(Cl)C(C#N)=C1C2=CC=CC=C2)=C1C#N,0.0
76583,CO-ADD:0240909,-7.89,N1(C(=O)c2c(C(c3ccccc3)=N1)cccc2)c4cc(ccc4[N+](=O)[O-])N5CCCCC5,0.0
76584,CO-ADD:0240413,-7.89,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(\CC3)/CCC3c4ccccc4)c5nonc5N,0.0
76585,CO-ADD:0240930,-7.89,N1(CN(c2ccccc2)C(=O)C(F)(F)F)C(=O)C(C(C(c3c4cccc3)c5c6cccc5)C1=O)C46,0.0
76586,CO-ADD:0240708,-7.89,C(NCCCC)(=O)C(NCCCC)=O,0.0
76587,CO-ADD:0240680,-7.89,C(=O)(Nc1ccc(cn1)C)NC(OCCCC)=O,0.0
76588,CO-ADD:0240485,-7.89,N1\C(=N/c2cccc(C)c2)\C3(N(CC#N)C1=S)CCCCC3,0.0
76589,CO-ADD:0245486,-7.89,C(SC(N1c2ccccc2)=S)(c3[nH]c(c4n3)cccc4)=C1N,0.0
76590,CO-ADD:0245735,-7.89,n1(nnc(C(=O)N\N=C\c2cccc(Cl)c2Cl)c1c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
76591,CO-ADD:0241594,-7.9,C(CSCc1ccccc1Cl)(=O)N\N=C\c(cc2)ccc2OC(C3)CS3,0.0
76592,CO-ADD:0241587,-7.9,C1([N+](=O)[O-])=C(O)N=C(\C=C\c(cc2)ccc2Br)NC1=O,0.0
76593,CO-ADD:0246078,-7.9,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c(cccc2NC(=O)c3ccc(cc3)F)c2,0.0
76595,CO-ADD:0245431,-7.9,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(cc3)ccc3OC)nc(NCc4ccco4)n1,0.0
76596,CO-ADD:0241131,-7.9,c1(ccc(cc1F)F)C(=O)N\N=C(\c(ccc(c2F)F)c2)/Cn(c3)ncn3,0.0
76597,CO-ADD:0245458,-7.9,c1(N(C)C)nc(N\N=C\c(c(Cl)ccc2[N+](=O)[O-])c2)nc(Nc(cc3)ccc3F)n1,0.0
76598,CO-ADD:0245053,-7.9,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc(c(OC)ccc2[N+](=O)[O-])c2,0.0
76599,CO-ADD:0241162,-7.9,C(=C(\Cl)/Cl)(/c(cc1)cc(c1OC(c2ccccc2)=O)C)\c(cc3)cc(c3OC(c4ccccc4)=O)C,0.0
76600,CO-ADD:0241656,-7.91,C12(c3c(NC1=O)cccc3)C(C(OCC=C)=O)=C(N)OC(C)=C2C(=O)OC(C)(C)C,0.0
76601,CO-ADD:0241963,-7.91,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cccc4C(F)(F)F)c4,0.0
76602,CO-ADD:0242345,-7.91,C(C#N)(C1c(cccn2)c2)=C(N)Oc(ccc(ccc(O)c3)c34)c14,0.0
76603,CO-ADD:0241477,-7.91,c1(N(C)C)nc(N\N=C\c(cccc2[N+](=O)[O-])c2O)nc(NCc3ccccc3)n1.CC(=O)O,0.0
76604,CO-ADD:0244463,-7.91,C(Cl)(Cl)(Cl)C(=O)Nc1cc(Br)cc(cccn2)c12,0.0
76605,CO-ADD:0244534,-7.91,c1(c(cccc1Cl)O)\C=N\c(cc2)ccc2C(=O)N3CCCCC3,0.0
76606,CO-ADD:0242960,-7.91,N#CC(C)(C)OC(CCC(OC(C)C)=O)=O,0.0
76607,CO-ADD:0149873,-7.91,C#CCN(CC1=CC2=CC(OCC3=CC=CC=C3)=CC=C2N1[H])C.O=C(O)C(O)=O,0.0
76608,CO-ADD:0244797,-7.91,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)\N=C\c4c(cccc4F)Cl)n1,0.0
76609,CO-ADD:0240162,-7.91,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c6cccc(Cl)c6C)C(C)=O,0.0
76610,CO-ADD:0244458,-7.91,[N+](=O)([O-])c(cccc1C(=O)Oc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)C)c1,0.0
76611,CO-ADD:0244520,-7.92,C(=O)(c1ccccc1C)Nc(cccc2C(=O)N\N=C/c3cccc(OC)c3)c2,0.0
76612,CO-ADD:0240144,-7.92,C(=O)(C(NCCOC=C)=O)Nc1cccc(C)c1C,0.0
76613,CO-ADD:0241884,-7.92,C(=C\c(ccc1c2cccc(Cl)c2Cl)o1)(/C3=O)\C(=O)NC(=S)N3.CC(=O)O,0.0
76614,CO-ADD:0244911,-7.92,[C@@H](O)([C@H]1O)N(C)C(=S)N1,0.0
76615,CO-ADD:0245721,-7.92,C(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3CC,0.0
76616,CO-ADD:0241563,-7.92,C(=O)(Nc(cc1)ccc1\N=C\c2cc(Br)cc(OCC)c2O)c3ccccc3Br,0.0
76617,CO-ADD:0241736,-7.92,C1(C#N)(C#N)C(C(C2)C(C(C#N)=C1N)=CCN2C)c3scc(Cl)c3,0.0
76618,CO-ADD:0242179,-7.92,n(nnc1C(=O)N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-])(c1COC)c3nonc3N,0.0
76619,CO-ADD:0245704,-7.93,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C\c6cc(Br)ccc6O)n1,0.0
76620,CO-ADD:0241158,-7.93,n1cn[nH]c1SCC(=O)NC2CCCCC2,0.0
76621,CO-ADD:0245780,-7.93,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4\C=C\C(c5ccccc5)=O,0.0
76622,CO-ADD:0244696,-7.93,C(/c1ccccc1)(\Nc2ccccc2Cl)=N/c3ccccc3Cl,0.0
76623,CO-ADD:0241007,-7.93,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c(cc4)ccc4[N+](=O)[O-])n1,0.0
76624,CO-ADD:0244265,-7.93,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3Cl)c1,0.0
76625,CO-ADD:0245092,-7.93,[N+](=O)([O-])c1ccc(cc1NCCOc(cc2)ccc2C(C)(C)C)Cl,0.0
76626,CO-ADD:0240580,-7.93,c1(scc(c2ccc(cc2)Br)n1)NC(CSCC(=O)OCC(=O)c3ccc(cc3)Br)=O,0.0
76627,CO-ADD:0244400,-7.93,c1(NC(C)=O)oc(c(c2ccc(cc2)OC)c1C#N)c3ccc(cc3)OC,0.0
76628,CO-ADD:0246077,-7.93,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)N1)=C\c(ccc(c3OC)OC)c3,0.0
76629,CO-ADD:0244957,-7.93,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c3ccco3)c4nonc4N,0.0
76630,CO-ADD:0244959,-7.93,c(C(=O)CC(C)(C)C)(c(C)[nH]c1C(OCC)=O)c1C,0.0
76631,CO-ADD:0245382,-7.94,N1(C(=O)c2cccc(Br)c2)N=C(CC1(O)C(OCC)=O)CC,0.0
76632,CO-ADD:0149734,-7.94,CN1C(C2C3=C(N=C(CCCCC4)C4=C3N)OC5=C2C=CC6=C5N=CC=C6)=NC=C1,0.0
76633,CO-ADD:0149859,-7.94,BrC(/C(OC1=C2C(C=CC=C3)=C3C=C1)=NBr)(C2C4=C(C=CC=C4)[N+]([O-])=O)C#N,0.0
76634,CO-ADD:0149863,-7.94,ClC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=CC=C(C=C4)[N+]([O-])=O)C#N,0.0
76635,CO-ADD:0148574,-7.94,O=C(C1=CC(O)=CC=C1O)/C=C/C2=CNC3=CC=C(O)C=C32,0.0
76636,CO-ADD:0242355,-7.94,c1(C#N)c(c2ccc(cc2)Cl)cc(nc1SCc3cccc(OC)c3)c4cccs4,0.0
76637,CO-ADD:0240908,-7.94,c1(nonc1N)\C(\N(CC2)CCO2)=N\OC(=O)c3ccc(cc3)C,0.0
76638,CO-ADD:0241878,-7.94,c12c(non1)nc(Nc(cc3)ccc3C)c(N\N=C\c4ccc(cc4Cl)Cl)n2,0.0
76639,CO-ADD:0242601,-7.94,n1(c2c(nn1)cccc2)S(=O)(=O)c3ccc(cc3)F,0.0
76640,CO-ADD:0244756,-7.94,N(c1ccccc1)(c2ccccc2)C(=O)COc(ccc(c34)cccc3)c4,0.0
76641,CO-ADD:0241060,-7.95,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4ccc(cc4Cl)Cl)\C1=O)=NC(C)=C2C(OCC)=O,0.0
76642,CO-ADD:0242926,-7.95,N(/C(/CC)=C(/C)\C#N)=C(/C)\N(C)C,0.0
76643,CO-ADD:0245875,-7.95,[N+](=O)([O-])c1ccccc1Oc2ccccc2\C=N\n(cnn3)c3,0.0
76644,CO-ADD:0244629,-7.95,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\c3ccc(cc3O)C,0.0
76645,CO-ADD:0244242,-7.95,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\NC(=O)c3ccc(cc3)OC)c1,0.0
76647,CO-ADD:0244311,-7.95,C1(=C(O)CC(C)(C)CC1=O)C(c2cccc(OC)c2O)C3C(=O)CC(CC3=O)(C)C,0.0
76648,CO-ADD:0245532,-7.95,C(C#N)(=C(C)C=C(N1\N=C\c2sccc2C)C)C1=O,0.0
76649,CO-ADD:0244417,-7.95,C(/c1ccc(cc1)C)(\OB(F)F)=C\C(C)=O,0.0
76650,CO-ADD:0244950,-7.95,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
76651,CO-ADD:0245096,-7.95,n1(nnc(C(=O)N\N=C\c2cccc(Cl)c2Cl)c1CN(CC3)CCO3)c4nonc4N,0.0
76652,CO-ADD:0244345,-7.95,C(F)(F)(C(F)(F)c1[nH]nc(c2ccccc2)c1)C(F)(F)C(F)(F)\C(\O)=C\C(c3ccccc3)=O,0.0
76653,CO-ADD:0245090,-7.95,C(=O)(N\N=C\c(cc1)ccc1C)c(ccc(c2Cl)Cl)c2,0.0
76654,CO-ADD:0223575,-7.95,S(=O)(=O)(Nc1ccccc1OC)c2c(C)ccc(c2)C(=O)Nc3ccccc3OC,0.0
76655,CO-ADD:0223552,-7.95,S(=O)(=O)(Nc(cc1)ccc1OC)c2c(C)ccc(c2)C(=O)Nc(cc3)ccc3[N+](=O)[O-],0.0
76656,CO-ADD:0228436,-7.96,N1(c2ccccc2)CC(CC1=O)C(=O)Nc3sccn3,0.0
76657,CO-ADD:0228448,-7.96,S(c1ccccc1)(=O)(=O)Nc(cccc2c3csc(C)n3)c2,0.0
76658,CO-ADD:0228403,-7.96,N1(c2ccccc2)CC(CC1=O)C(=O)OCC(=O)c(cc3)ccc3c4ccccc4,0.0
76659,CO-ADD:0230311,-7.96,C1(C(C)=O)=C(C)NC(=O)NC1c2ccccc2,0.0
76660,CO-ADD:0228433,-7.96,N1C(=S)NN=C1c2cccc(C)c2,0.0
76661,CO-ADD:0228019,-7.96,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O)o1,0.0
76662,CO-ADD:0228666,-7.96,c1(cc(ccc1N2CCCCCC2)[N+](=O)[O-])[N+](=O)[O-],0.0
76663,CO-ADD:0230286,-7.96,C(=O)(Nc(cc1)ccc1CCCC)c2ccccc2Cl,0.0
76664,CO-ADD:0229985,-7.96,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cc3)ccc3OCCOCCOc(cc4)ccc4NC(=O)C(c5ccccc5)c6ccccc6,0.0
76665,CO-ADD:0229953,-7.96,C1(c(ccc(c23)OCO2)c3)OCC(CO1)(C)C,0.0
76666,CO-ADD:0232557,-7.96,c1(\C(\CCC2)=N/Cc3ccccc3)c2[nH]c(ccc(Br)c4)c14,0.0
76667,CO-ADD:0232367,-7.97,C1(\N=C\c(ccc(c2[N+](=O)[O-])N(C)C)c2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
76668,CO-ADD:0230725,-7.97,C(COc1ccc(cc1Br)Cl)(=O)N\N=C\c2cccs2,0.0
76669,CO-ADD:0235807,-7.97,C(COc(ccc(c12)cccc1)c2)(=O)N\N=C\c3cccc(Cl)c3,0.0
76670,CO-ADD:0232220,-7.97,C(=O)(Oc(cc1)ccc1\C=N\NC(COc2ccc(cc2Cl)Cl)=O)c3ccccc3Br,0.0
76671,CO-ADD:0232430,-7.97,C(=O)(Nc(c(Cl)ccc1C(F)(F)F)c1)C(=O)Nc(c(Cl)ccc2C(F)(F)F)c2,0.0
76672,CO-ADD:0230265,-7.97,c1(ccc(c2c1O)cccc2)\C(\C)=N\Nc3ccccc3,0.0
76673,CO-ADD:0228846,-7.97,N1=C(c2ccccc2)CC(c(ccc(c34)OCO3)c4)N1c5ccccc5,0.0
76674,CO-ADD:0228654,-7.97,c1(Sc2c(O)ccc(O)c2)nnnn1c3ccccc3,0.0
76675,CO-ADD:0223600,-7.98,C(=O)(Nc(cc1)ccc1N(C)C)C(OCC)=O,0.0
76676,CO-ADD:0223707,-7.98,N(/c(cc1)ccc1Nc2ccccc2)=C/c(ccc(c3OC)OCCCCC)c3,0.0
76677,CO-ADD:0223563,-7.98,C(C)(C1)(CN(C2c3ccc(cc3)O)CC4(CN12)C)C4=O,0.0
76678,CO-ADD:0223677,-7.98,C(=O)(N\N=C\c1cccc(OC)c1OC)c2ccc(cc2)OCC=C,0.0
76679,CO-ADD:0228862,-7.98,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)C)CC(=O)N\N=C(/C)\c3ccc(cc3)I,0.0
76680,CO-ADD:0228529,-7.98,c(C(=O)Nc1cccc(C)n1)(sc(c23)nc(cc2C(F)(F)F)C)c3N,0.0
76681,CO-ADD:0223055,-7.98,C(NCCOc1ccccc1F)(=O)c2ccc(cc2)CSc(cc3)ccc3Cl,0.0
76682,CO-ADD:0230087,-7.98,P(=O)(N(C)C)(N(C)C)N=P(c1ccccc1)(c2ccccc2)c3ccccc3,0.0
76683,CO-ADD:0230866,-7.98,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])\C(\c3c2ccc(c3)[N+](=O)[O-])=C\OCC,0.0
76684,CO-ADD:0232343,-7.98,C1(C(=O)Nc(cc2)ccc2I)=Cc3c(OC1=O)ccc(OC)c3,0.0
76685,CO-ADD:0235627,-7.98,c1(ccccc1c2ccccc2)C(NCCOCc3ccccc3)=O,0.0
76686,CO-ADD:0232228,-7.99,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c4cccc(Br)c4,0.0
76687,CO-ADD:0232527,-7.99,c(c(O)ccc1C(O)=O)(c1)\C=N\c(cc2)ccc2Br,0.0
76688,CO-ADD:0232642,-7.99,c1(cc(ccc1Cl)SC)C(=O)O\N=C(\C2)/c3c(CC2)ccc(OC)c3,0.0
76689,CO-ADD:0232413,-7.99,N1(c2ccccc2)C(=O)C(=CC1=O)Nc3ccccc3,0.0
76690,CO-ADD:0223692,-7.99,c1(\C=N\NC(=O)C(C)Oc(cc2)ccc2OCCCCC)c(cccc1Cl)Cl,0.0
76691,CO-ADD:0223679,-7.99,C(COc(cc1)ccc1OCc2ccccc2)(=O)N\N=C\c3ccccc3Cl,0.0
76692,CO-ADD:0223152,-7.99,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)c3ccco3,0.0
76693,CO-ADD:0230256,-7.99,C(=O)(N\N=C\c1ccccc1)c2cccc(c2)NC(CCCCCC)=O,0.0
76694,CO-ADD:0223546,-7.99,C(=O)(N\N=C\c1ccc(C)o1)C(=O)Nc2c(C)cccc2C,0.0
76695,CO-ADD:0223317,-7.99,n1c(cccc1c2ccc(cc2)OC(=O)c3ccc(cc3)F)c4ccc(cc4)OC(=O)c5ccc(cc5)F,0.0
76696,CO-ADD:0228084,-7.99,C(CNc1cccc(cccc2)c12)(=O)N\N=C(\C3)/CCCC3,0.0
76697,CO-ADD:0228224,-7.99,N1(c2ccc(cc2)Cl)C(=O)NC(\C(=C/c(c(OC)ccc3[N+](=O)[O-])c3)\C1=O)=O,0.0
76698,CO-ADD:0223700,-7.99,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)C(C)Oc(ccc(c23)cccc2)c3,0.0
76699,CO-ADD:0230483,-7.99,C(F)(F)(F)C(=O)Nc(cc1)ccc1Sc(cc2)ccc2Oc(cc3)ccc3Sc(cc4)ccc4NC(=O)C(F)(F)F,0.0
76700,CO-ADD:0228724,-8.0,n1c(c2)c([nH]c1c(cc3)ccn3)ccc2[N+](=O)[O-],0.0
76701,CO-ADD:0230212,-8.0,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)c2ccc(cc2)OCCCCCCCCCC,0.0
76702,CO-ADD:0232402,-8.0,c(CC(NC(OCc1ccccc1)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCCCNC(=O)OC(C)(C)C)C(=O)NC(C(C)C)C(OC)=O)(c2c([nH]3)cccc2)c3,0.0
76703,CO-ADD:0235432,-8.0,C(C(OC)=O)(C1c2cccs2)=C(N)OC(CCCC3=O)=C13,0.0
76704,CO-ADD:0235224,-8.0,C(C#N)(C1c2ccccc2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
76705,CO-ADD:0232498,-8.0,n1c2c(oc1c3ccc(cc3)NC(=O)c4ccc(cc4)Cl)cccc2,0.0
76706,CO-ADD:0232698,-8.0,n1(C)c(ccc(c2)C3CCCCC3)c2c4c1\C(\CCC4)=N\O,0.0
76707,CO-ADD:0232018,-8.0,c(\C=N\c(ccc(c1Cl)Cl)c1)(c(C)c2Cl)c(O)c(c2C)Br,0.0
76708,CO-ADD:0230471,-8.0,[N+](=O)([O-])c1ccc(cc1)Oc(cc2)ccc2C(=O)Nc(cc3)ccc3c4nc(c(cc5)ccc5NC(=O)c6ccc(cc6)Oc(cc7)ccc7[N+](=O)[O-])cc(c8ccccc8)n4,0.0
76709,CO-ADD:0232240,-8.0,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-],0.0
76710,CO-ADD:0235609,-8.0,c1(c2ccco2)nc(n3c1\N=C\c(ccc(c4[N+](=O)[O-])Br)c4)cccc3,0.0
76711,CO-ADD:0228955,-8.0,c1(C(OCC)=O)c(C)nc(nc1c2ccccc2)SC,0.0
76712,CO-ADD:0232043,-8.0,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c4ccc(cc4Cl)Cl,0.0
76713,CO-ADD:0230847,-8.0,P(OCC)(OCC)(=O)C(c1ccccc1)C[N+](=O)[O-],0.0
76714,CO-ADD:0232513,-8.0,c1(c(O)c(\C=N\c(cc2)ccc2c3oc(c4n3)cccn4)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
76715,CO-ADD:0230817,-8.0,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)Nc2ccc(cc2C)C,0.0
76716,CO-ADD:0232201,-8.0,c1(oc(c2n1)ccc(C)c2)c3cc(ccc3O)\N=C\c4c(O)c(OC)cc(Br)c4Br,0.0
76717,CO-ADD:0230033,-8.01,N1(c2ccc(c(Cl)c2)Cl)C(C)(O)CC(N(C(C)CC)C1=O)(C)C,0.0
76718,CO-ADD:0235416,-8.01,c(C(=O)Nc1ccccn1)(sc(c23)nc(cc2C(F)(F)F)c4cccs4)c3N,0.0
76719,CO-ADD:0235166,-8.01,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(cccn2)c2)c3ccccc3Cl,0.0
76720,CO-ADD:0235767,-8.01,N1(c2ccc(cc2C)C)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
76721,CO-ADD:0235702,-8.01,C(=O)(c1ccc(cc1)OCCCCCC)NCc2ccccc2,0.0
76722,CO-ADD:0235583,-8.01,c1(OCc2ccccc2)c(OCc3ccccc3)cc(cc1OCc4ccccc4)C(=O)[O-].[K+],0.0
76723,CO-ADD:0223387,-8.01,C(=N/NC(=O)CC#N)(/c1c(N2C)cccc1)\C2=O,0.0
76724,CO-ADD:0228761,-8.01,C(=O)(Oc(cc1)ccc1OC(=O)c2cccc(I)c2)c3cccc(I)c3,0.0
76725,CO-ADD:0232500,-8.01,c1(c2cccc(c2)\N=C\c(c(C)c3Cl)c(O)c(c3C)Br)sc(c4n1)cccc4,0.0
76726,CO-ADD:0228952,-8.01,N(/c1ccccc1C)=C\c2ccco2,0.0
76727,CO-ADD:0223117,-8.01,[N+](=O)([O-])c1ccc(cc1\C=N\NC(=O)Cc2cccc(cccc3)c23)O,0.0
76728,CO-ADD:0223102,-8.01,C(=O)(Oc1ccc(cc1OCC)\C=N\NC(COc(ccc(c2C)C)c2)=O)c3ccccc3Cl,0.0
76729,CO-ADD:0223088,-8.01,N1=C(N\N=C\c2ccccc2)SCC1=O,0.0
76730,CO-ADD:0228458,-8.01,N(c1cc(C)ccc1C)(C(=O)C(C2C3(Br)c4c5cccc4)C5(Br)c(c36)cccc6)C2=O,0.0
76731,CO-ADD:0230175,-8.01,N(=C\c1ccccc1O)/NC(CCCCC(=O)N\N=C\c2ccccc2O)=O,0.0
76732,CO-ADD:0228111,-8.01,N(\C(=C/c(cc1)ccc1C(C)C)\C(O2)=O)=C2c(cccc3[N+](=O)[O-])c3,0.0
76733,CO-ADD:0229942,-8.01,c1(C(OCC)=O)sc2c(c(COC)cc(C)n2)c1N,0.0
76734,CO-ADD:0228974,-8.01,C(=O)(N\N=C\c1ccccc1Cl)C(C)Oc2cccc(cccc3)c23,0.0
76735,CO-ADD:0228969,-8.02,c1(c2cccs2)cc(c3[nH]1)ccc(C)c3,0.0
76736,CO-ADD:0223313,-8.02,c12c(ccc(Br)c1)noc2c3ccccc3,0.0
76737,CO-ADD:0235094,-8.02,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cccc2OC(=O)c3ccccc3Cl)c2,0.0
76738,CO-ADD:0222876,-8.02,C(=O)(c1ccc(cc1)F)Oc(cc2)ccc2NC(C)=O,0.0
76739,CO-ADD:0235282,-8.02,c12c(ccc(c1)NC(=O)c3cc(OC)cc(OC)c3)c4c(cccc4)o2,0.0
76740,CO-ADD:0232755,-8.02,N(CC(=O)N\N=C\c(ccc(c1[N+](=O)[O-])N2CCCC2)c1)(c(cccc3)c34)c(cccc5)c5C4=O,0.0
76741,CO-ADD:0232290,-8.02,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3OC,0.0
76742,CO-ADD:0223339,-8.02,c1(ccc(C)o1)C(c2ccccc2)(c3ccccc3)c4ccccc4,0.0
76743,CO-ADD:0232522,-8.02,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Cl)cc4Cl)c4O)cccn2,0.0
76744,CO-ADD:0223394,-8.02,c1(c2ccc(cc2)Br)ccc(\C=N\c(cc3)ccc3c4ccccc4)o1,0.0
76745,CO-ADD:0223103,-8.02,C(=C/c1cccc(C)c1O)(/C(=O)NN2c3ccc(c(C)c3)C)\C2=O,0.0
76746,CO-ADD:0228555,-8.03,c1(nnc(Cc2ccccc2)s1)NC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
76747,CO-ADD:0232315,-8.03,C(/C(=O)c1ccc(cc1)C)=C/C(O)=O,0.0
76748,CO-ADD:0230187,-8.03,C(=O)(c1ccco1)N2CCCCC2,0.0
76749,CO-ADD:0228132,-8.03,C(CNc1ccccc1OC)(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
76750,CO-ADD:0228200,-8.03,S(=O)(=O)(Nc1ccccc1)c2c(C)ccc(c2)C(=O)Nc3ccccc3,0.0
76751,CO-ADD:0228630,-8.03,C(CN(CN1C2)CN23)(C3)(C1)\C(\c4ccc(cc4)C)=N/NC(=O)c5ccc(cc5)C,0.0
76752,CO-ADD:0230860,-8.03,N(=C(/CC1)\CCC1c2ccccc2)/NC(CCCCCCCC(=O)N\N=C(\CC3)/CCC3c4ccccc4)=O,0.0
76753,CO-ADD:0232780,-8.03,N1(C)C(=O)CC(N(CC2)CCN2C(=O)CN3CCCC3)C1=O,0.0
76754,CO-ADD:0232767,-8.03,C1(C2=O)C(NN=C1C(OCC)=O)C(N2c3ccc(cc3)OCC)=O,0.0
76755,CO-ADD:0232692,-8.03,C1(C(OCCCCCC)=O)=C(C)NC(NC1c2ccccc2Br)=O,0.0
76756,CO-ADD:0222995,-8.03,N1(c2ccc(cc2)C)CC(CC1=O)C(=O)Nc3ccccc3I,0.0
76757,CO-ADD:0223389,-8.03,N1(CCN2CCCc(cccc3)c23)C(=O)c4c(cccc4)C1=O,0.0
76758,CO-ADD:0235363,-8.03,N1(c2cc(C)ccc2C)C(=O)C3C(C(c4ccccc4)C=CC3c5ccccc5)C1=O,0.0
76759,CO-ADD:0223773,-8.03,C(/NCN(C1)C)(=N/[N+](=O)[O-])\N1C,0.0
76760,CO-ADD:0230616,-8.03,C1(=O)c(cccc2)c2c3c(c(ccc4)ccc3)c14,0.0
76761,CO-ADD:0230658,-8.04,c(cc(C)cc1)(c12)c3c(c4C2=O)c(ccc3)ccc4,0.0
76762,CO-ADD:0223135,-8.04,C(=C\c(cc1)ccc1N(C)C)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3OCC)cc(c3O)I,0.0
76763,CO-ADD:0228682,-8.04,S(=O)(=O)(N\N=C\c(cccn1)c1)c(ccc(c2[N+](=O)[O-])C)c2,0.0
76764,CO-ADD:0228919,-8.04,C(F)(F)(C(F)(F)COc(cc1)c(cc1C(F)(F)F)\N=C\c2c(O)ccc(cccc3)c23)C(F)(F)C(F)F,0.0
76765,CO-ADD:0229939,-8.04,S(=O)(=O)(c(cc1)ccc1C(=O)Oc2ccccc2)c(cc3)ccc3C(=O)Oc4ccccc4,0.0
76766,CO-ADD:0228488,-8.04,N1(\N=C\C=C\c(ccc2[N+](=O)[O-])o2)C(=S)SC(C)(C)C1N(O)C(=O)Nc3ccccc3,0.0
76767,CO-ADD:0223128,-8.04,c1(c(O)c(\C=N\NC(COc2ccccc2C#N)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
76768,CO-ADD:0235353,-8.04,c1(c2ccco2)nnc(SCc(ccc(c3[N+](=O)[O-])OC)c3)o1,0.0
76769,CO-ADD:0232505,-8.04,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc(ccc(c2C)C)c2)=O)c(cc3OC)cc(c3OC)OC,0.0
76770,CO-ADD:0232395,-8.04,C(=N/O)(/CC1C)\C(C)C(S1)CC,0.0
76771,CO-ADD:0232496,-8.04,n1c2c(oc1c3ccc(cc3)NC(=O)c4ccc(cc4)Cl)cccc2C,0.0
76772,CO-ADD:0223421,-8.04,C(=O)(N\N=C\c1cccs1)C(=O)Nc2cccc(C)c2,0.0
76773,CO-ADD:0235197,-8.04,c1(ccccc1Br)C(=O)NCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3cccc(Br)c3)OC,0.0
76774,CO-ADD:0230535,-8.04,C(=O)(N\N=C(/C)\CC(NCCC)=O)C(=O)Nc(cc1)ccc1CC,0.0
76775,CO-ADD:0232335,-8.04,c1(C#N)c(C)c(sc1\N=C\c(ccc(c2Cl)Cl)c2)C,0.0
76776,CO-ADD:0230226,-8.04,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c(cccc2NC(=O)c3ccc(cc3)C)c2,0.0
76777,CO-ADD:0228740,-8.04,C(=C/c(ccc(c1OC)OC)c1)(/c(cccn2)c23)\c(cc(C)cc4)c34.Cl,0.0
76778,CO-ADD:0223473,-8.04,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c3ccccc3O,0.0
76779,CO-ADD:0230593,-8.04,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)Nc2ccccc2Cl,0.0
76780,CO-ADD:0223475,-8.04,N1(c2ccccc2)C(=O)\C(\C(C)=N1)=C/Nc3cccc(Cl)c3,0.0
76781,CO-ADD:0223815,-8.04,[N+](=O)([O-])c1ccccc1\C=C/C(=O)N2CCCCC2,0.0
76782,CO-ADD:0232303,-8.05,c1(ncnc2N)c2c3c(CCCC3)s1,0.0
76783,CO-ADD:0232283,-8.05,C1(C(=O)OCC(F)(F)C(F)(F)F)=C(C)NC(NC1c(ccc(c23)OCO2)c3)=O,0.0
76784,CO-ADD:0235504,-8.05,C(=N\c(cc1)ccc1Oc2ccccc2)(/C3=O)\c4c(N3)cc(Br)c(C)c4,0.0
76785,CO-ADD:0235260,-8.05,n1(CC)c2c(c(cc(cc3)\C=N\c(cc4)ccc4c5ccc(cc5)\N=C\c(ccc6c7c(cccc8)c8n6CC)c7)c13)cccc2,0.0
76786,CO-ADD:0235533,-8.05,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OCc5ccc(cc5Cl)Cl,0.0
76787,CO-ADD:0235512,-8.05,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(ccc(c3OC)OCC(OCC)=O)c3,0.0
76788,CO-ADD:0228678,-8.05,s1c(Cc2ccc(cc2Cl)Cl)nnc1N,0.0
76789,CO-ADD:0230378,-8.05,c(C(=O)Nc1ccccc1)(c(N)c(c23)ccc(c4cccs4)n2)s3,0.0
76790,CO-ADD:0228857,-8.05,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O)o1,0.0
76791,CO-ADD:0228405,-8.05,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)Nc(cccc3C(F)(F)F)c3,0.0
76792,CO-ADD:0230412,-8.06,C1(=C(O)CC(C)(C)CC1=O)C(C2C(=O)CC(CC2=O)(C)C)c3ccc(C)o3,0.0
76793,CO-ADD:0228652,-8.06,N1(\N=C\c2ccco2)C(=S)SC(C)(C)C1N(O)C(=O)NC3CCCCC3,0.0
76794,CO-ADD:0228074,-8.06,C(=N/NC(=O)Cc1ccc(c(cccc2)c12)Br)(/c3c(N4)cccc3)\C4=O,0.0
76795,CO-ADD:0223664,-8.06,s1c(\C=N\NC(=O)c2ccc(cc2)OCc3cccc(OC)c3)ccc1Br,0.0
76796,CO-ADD:0228388,-8.06,c1(C(=O)c2ccc(Br)s2)oc(c3c1N)ccc(Br)c3,0.0
76797,CO-ADD:0223480,-8.06,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc3ccccc3Br,0.0
76798,CO-ADD:0235463,-8.06,c12c(nnc(SCC(=O)Nc3sc(c(ccc4[N+](=O)[O-])n3)c4)n1)c5c(cccc5)n2CC,0.0
76799,CO-ADD:0223510,-8.06,C1(C(N)=O)=C(C)\C(=C\c(c(C)nn2c3ccc(cc3)C)c2O)\C(N(C)C1=O)=O,0.0
76800,CO-ADD:0232333,-8.06,c1(cc(c(C)o1)C)\C=C(/C=CC2=O)\O2,0.0
76801,CO-ADD:0231873,-8.06,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c(cc2)ccc2C,0.0
76802,CO-ADD:0235851,-8.06,C(c1ccccc1)(=O)Nc(cc2)ccc2C(OCCCCCCC)=O,0.0
76803,CO-ADD:0235556,-8.06,c1(c2ccc(OCC(=O)OCC(=O)c3ccc(cc3)Br)c1)OC(C=C2C)=O,0.0
76804,CO-ADD:0223272,-8.06,[N+](=O)([O-])c1ccc(c(c1)\N=C\c2ccc(cc2Cl)Cl)N,0.0
76805,CO-ADD:0228645,-8.07,n1(nnc(C)c1C(NN)=O)c2nonc2N,0.0
76806,CO-ADD:0231960,-8.07,c1(oc(c2n1)ccc(c2)\N=C\c(cc(Cl)cc3Cl)c3O)c4cc(Cl)ccc4Cl,0.0
76807,CO-ADD:0230377,-8.07,N(\C(=C/c(cc1OCC)cc(c1OC(C)=O)I)\C(O2)=O)=C2c3ccc(cc3)I,0.0
76808,CO-ADD:0228504,-8.07,C12(c3c(NC1=O)ccc(Cl)c3)C(C#N)=C(N)OC(C)=C2C(=O)OC(C)(C)C,0.0
76809,CO-ADD:0228620,-8.07,c1(\C=N\NC(COc2ccccc2)=O)c3c([nH]c1C)cccc3,0.0
76810,CO-ADD:0228392,-8.07,c1(c2ccc(cc2Cl)Cl)nnc(SCc(cc3)ccc3F)o1,0.0
76811,CO-ADD:0223762,-8.07,C(C(CO)NCc1ccccc1)#C,0.0
76812,CO-ADD:0230516,-8.07,c1(O)cc(O)ccc1\C=N/NC(CCCc(ccc(c2C)OC)c2)=O,0.0
76813,CO-ADD:0223735,-8.07,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)c2ccc(cc2)OCc3cccc(OC)c3,0.0
76814,CO-ADD:0232485,-8.07,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cc(I)cc4I)c4O,0.0
76815,CO-ADD:0223462,-8.07,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)C(Cc2ccccc2)NC(c3ccccc3)=O,0.0
76816,CO-ADD:0228418,-8.08,N1C(=O)\C(\SC1=N)=C/c(ccc(c2OC)OCc3ccc(cc3Cl)Cl)c2,0.0
76817,CO-ADD:0235794,-8.08,C(c1ccccc1)(=O)N\N=C(/C)\C=C\c2ccccc2F,0.0
76818,CO-ADD:0235489,-8.08,N1(C(CC(c(ccc(c2F)OC)c2)=N1)c3ccc(cc3Cl)Cl)c4scc(c5ccc(cc5)C)n4.Br,0.0
76819,CO-ADD:0230756,-8.08,C(F)(F)(C(F)F)Oc1ccccc1NC(=O)C(=O)N\N=C\c(cc2)ccc2OCc3ccccc3,0.0
76820,CO-ADD:0223257,-8.08,[N+](=O)([O-])c1c(Cl)ccc(c1)\N=C\c2ccc(cc2Cl)Cl,0.0
76821,CO-ADD:0222974,-8.08,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(NCCC)=O,0.0
76822,CO-ADD:0235306,-8.08,C(C(F)(F)F)(O1)=CC(c(ccc(OC)c2)c12)=O,0.0
76823,CO-ADD:0232736,-8.08,c1(c(C)cccc1C)NC(COc2ccccc2OCC(C)C)=O,0.0
76824,CO-ADD:0232800,-8.08,c1(ccc(\C=N\NC(=O)c2ccc(cc2)OC)o1)Sc3cccc(cccn4)c34,0.0
76825,CO-ADD:0232100,-8.08,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(COc3ccccc3C)=O,0.0
76826,CO-ADD:0232059,-8.08,C(=O)(Oc1cccc(c1)\C=N\NC(COc2cccc(C)c2)=O)c3cccc(Br)c3,0.0
76827,CO-ADD:0228447,-8.08,[N+](=O)([O-])c1ccc(cc1NCCOc2ccccc2C)N(CC3)CCO3,0.0
76828,CO-ADD:0223191,-8.08,c1(c2ccc(cc2)I)ccc(\C=N\NC(CNc(cc3)ccc3C)=O)o1,0.0
76829,CO-ADD:0230634,-8.08,C1(c(ccc2c3c(cccc4)c4n2CC)c3)N(c5ccccc5)CCN1c6ccccc6,0.0
76830,CO-ADD:0228856,-8.09,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2\C=N\NC(=O)\C(=C/c(ccc(c34)OCO3)c4)\NC(c5ccccc5)=O)Br,0.0
76831,CO-ADD:0228220,-8.09,N1(c2ccc(cc2)OC)C(=O)\C(=C\c(ccc(c3[N+](=O)[O-])N(C)C)c3)\C(NC1=S)=O,0.0
76832,CO-ADD:0228311,-8.09,c1(SC)sc2c(ccc(c2)NC(CCc3ccccc3)=O)n1,0.0
76833,CO-ADD:0230839,-8.09,N1(C(C)=O)[C@@H](c2ccc(cc2)Br)SC[C@H]1C(O)=O,0.0
76834,CO-ADD:0230506,-8.09,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(ccc(c2OCC)OCc(cc3)ccc3Br)c2,0.0
76835,CO-ADD:0228957,-8.09,c1(Cc(c23)cccc2)c3ccc(C(CCCCN4CCCCC4)=O)c1,0.0
76836,CO-ADD:0228051,-8.09,c1(oc(c2n1)ccc(C)c2)c3ccc(cc3O)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
76837,CO-ADD:0230824,-8.09,C(=O)(Nc(cc1)ccc1CC)C(NCCC)=O,0.0
76838,CO-ADD:0230717,-8.1,c1(ccccc1Br)C(=O)N\N=C\c(cc2)ccc2OCc(cc3)ccc3Cl,0.0
76839,CO-ADD:0231907,-8.1,C(=O)(Oc(cc1)ccc1\C=N\NC(=O)c(cccn2)c2)c3ccccc3Br,0.0
76840,CO-ADD:0235667,-8.1,c1(C(=O)Nc2ccccc2I)sc3c(c(C)cc(n3)C(F)(F)F)c1N,0.0
76841,CO-ADD:0222993,-8.1,C(=O)(N\N=C\c1cccc(Cl)c1Cl)C(=O)Nc2ccccc2OCC,0.0
76842,CO-ADD:0235684,-8.1,N1(c2ccccc2O)C(=O)c3c(cc(cc3)Oc(cc4)ccc4C(O)=O)C1=O,0.0
76843,CO-ADD:0232794,-8.1,C1(C)(C)C(CCC1(C)C(O)=O)C(=O)Nc(cc2)ccc2Nc3ccccc3,0.0
76844,CO-ADD:0223383,-8.1,C(=O)(C(=O)NCC(C)O)Nc1ccccc1F,0.0
76845,CO-ADD:0235801,-8.1,C(=C\c(cc1)ccc1OC)(/c2c3cccc2)\c4c3ccc(C(CCCCN5CCCCC5)=O)c4,0.0
76846,CO-ADD:0235309,-8.1,c1(C(=O)N(CC2)CCN2C)c(Cl)c3c(cccc3)s1,0.0
76847,CO-ADD:0235307,-8.1,C(O)(CC(=O)c(c12)ccc(cccc3)c13)(C(F)(F)F)O2,0.0
76848,CO-ADD:0230713,-8.1,N(=C\c(cc1)ccc1OCc2ccccc2)/NCC3CCCCC3,0.0
76849,CO-ADD:0248383,-8.1,N=C(C1=CSC=N1)NC2=C(Cl)C=CC=C2,0.0
76850,CO-ADD:0223565,-8.1,C(C)(CN1CC2(CN3C1c4ccc(cc4)Cl)C)(C3)C2=O,0.0
76851,CO-ADD:0228564,-8.11,N1(c2cccc(Cl)c2)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
76852,CO-ADD:0235535,-8.11,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c3cc(Br)cc(Br)c3OCc4ccc(cc4Cl)Cl,0.0
76853,CO-ADD:0232441,-8.11,c1(c(O)c(\C=N\c(ccc(c2n3)oc3c4ccc(cc4Cl)F)c2)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
76854,CO-ADD:0223223,-8.11,c1(OCC(=O)N\N=C\c2ccccc2OC(=O)c3ccco3)c(Br)cc(cc1Br)Br,0.0
76855,CO-ADD:0223220,-8.11,C(COc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)cc(c2OC(C)=O)OC,0.0
76856,CO-ADD:0228943,-8.11,C(C(OCC)=O)(=C(C)NC(=C1C(OCC)=O)C)C1c(cc2)ccc2N(C)C,0.0
76858,CO-ADD:0230026,-8.11,N1=C(NC(C(C)(C)C)\C=C\c2ccc(cc2Cl)Cl)C3(N(c4cccc(O)c4)C1=S)CCCCC3,0.0
76859,CO-ADD:0223147,-8.11,c1(ccc(cc1OC)OC)\C(\C)=N\NC(COc(cc2)ccc2Cl)=O,0.0
76860,CO-ADD:0230230,-8.11,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c3cccc(OC)c3O)c2,0.0
76861,CO-ADD:0228731,-8.11,c1(nccc(cccc2)c12)c3ccccc3C,0.0
76862,CO-ADD:0235824,-8.12,C12=C(CCCC1=O)NC(=O)CC2c3ccccc3,0.0
76863,CO-ADD:0232597,-8.12,C1(C(=O)OC2CCCCC2)=C(C)NC(=O)NC1c3ccc(cc3)OCc4ccccc4,0.0
76864,CO-ADD:0232149,-8.12,C(c1ccccc1)(=O)Oc2cc(ccc2OC(c3ccccc3)=O)\C=N\NC(COc4ccc(cc4Br)OC)=O,0.0
76865,CO-ADD:0235644,-8.12,N(CCc(c12)cccc1)(C(=O)CN(C3=O)CCc4ccccc4)C23,0.0
76866,CO-ADD:0230727,-8.12,c1(Br)ccc(\C=N\NC(COc2ccc(cc2Br)Cl)=O)o1,0.0
76867,CO-ADD:0232585,-8.12,N(/NC(=O)c(cccn1)c1)=C(\C)/C(/C)=N/O,0.0
76868,CO-ADD:0235050,-8.13,c1(oc(c2n1)ccc(c2)\N=C\c(cc3)ccc3Oc4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])c5c(O)cc(c6c5)cccc6,0.0
76869,CO-ADD:0235057,-8.13,[N+](=O)([O-])c(cc1\C=N\NC(=O)C2COc(c3O2)cccc3)cc(c1OC(=O)c4ccc(cc4)Br)Br,0.0
76870,CO-ADD:0235185,-8.13,n1c2c(oc1c3cccc(C)c3)ccc(c2)\N=C\c(c(O)ccc4C(O)=O)c4,0.0
76871,CO-ADD:0235597,-8.13,S(=O)(=O)(N(CC1)CCO1)c2c(OC)ccc(c2)C(=O)Nc3sccn3,0.0
76872,CO-ADD:0223241,-8.13,C(=C(/C=N/Nc1ccccc1Br)\Cc2ccccc2)(/C3=O)\C(=O)N(N3c4ccccc4)c5ccccc5,0.0
76873,CO-ADD:0232128,-8.13,C(=O)(c1ccc(cc1)Cl)NCC(=O)N\N=C\c(cc2)ccc2C(O)=O,0.0
76874,CO-ADD:0248700,-8.13,Cl(=O)(=O)(=O)O.Cl(=O)(=O)(=O)[O-].CCN1C(C(C2=C(C1=O)C=CC=C23)=CC=C3N(N=N4)C=C4C[N@@+]56CCCN7CCN8[Zn]75N(CCC8)CC6)=O,0.0
76875,CO-ADD:0223064,-8.13,C(=O)(N\N=C\c(cc1)ccc1C(C)C)C(=O)Nc2c(C)cccc2C,0.0
76876,CO-ADD:0228850,-8.13,c1(\C=N/NC(COc(cc2)ccc2I)=O)c(ccc(cccc3)c13)OCc4cccc(Br)c4,0.0
76877,CO-ADD:0228582,-8.13,n1c(c(ccc(c2F)OC)c2)csc1Nc(ccc(c3C)C)c3.Br,0.0
76878,CO-ADD:0232237,-8.13,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(cc4)ccc4[N+](=O)[O-],0.0
76879,CO-ADD:0228789,-8.14,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/Nc3c(C)cccc3C,0.0
76880,CO-ADD:0223208,-8.14,[N+](=O)([O-])c1cc(ccc1Cl)\C=N\NC(COc(cc2)ccc2Cl)=O,0.0
76881,CO-ADD:0228729,-8.14,C(/c1c2cccc1)(\c(cccn3)c23)=N/c4c(C)cc(cc4C)C,0.0
76882,CO-ADD:0223779,-8.14,C(C1CCCCC1)(=O)N(c2ccccc2)c3ccccc3,0.0
76883,CO-ADD:0230536,-8.14,C(N(CCC)CCC)(=S)Oc(cc1)ccc1C(=O)Nc2cccc(C)c2,0.0
76884,CO-ADD:0230317,-8.14,c1(c(cc2)ccn2)cc(c3[nH]1)ccc(C)c3,0.0
76886,CO-ADD:0230426,-8.14,C(=C\c(ccc(c1OC)OC)c1)/C(=O)c(ccc(c23)OCCO2)c3,0.0
76887,CO-ADD:0223286,-8.14,C(N)(=S)N\N=C(\C1)/CCCCCCCCCC1,0.0
76888,CO-ADD:0232608,-8.14,n1c(c2ccccc2)csc1N\N=C\c3ccc(cc3Cl)Cl,0.0
76889,CO-ADD:0231952,-8.14,N(=C(/C)\c1cccc(Br)c1)/NC(CNc2ccccc2C)=O,0.0
76890,CO-ADD:0230759,-8.14,C(COc1ccc(cc1Br)C)(=O)N\N=C(/C)\CC(NCCc(ccc(c2OC)OC)c2)=O,0.0
76891,CO-ADD:0223294,-8.15,N1(c(cccc2C(F)(F)F)c2)C(=O)c(cc3)c(c(ccc4[N+](=O)[O-])C1=O)c4c3[N+](=O)[O-],0.0
76892,CO-ADD:0222990,-8.15,C(=O)(N\N=C/c1cccs1)C(=O)Nc2ccccc2F,0.0
76893,CO-ADD:0232099,-8.15,c(\C=N\NC(=O)C(O)c1ccccc1)(cc(Br)cc2I)c2O,0.0
76894,CO-ADD:0223218,-8.15,c1(cc(\C=N\NC(COc(ccc(c2C)C)c2)=O)cc(OC)c1O)[N+](=O)[O-],0.0
76895,CO-ADD:0230046,-8.15,c1(\C=N\Nc2ccccc2)c3c(oc1C)cccc3,0.0
76896,CO-ADD:0223057,-8.15,C(=O)(C(=O)NCc1ccccc1Cl)Nc2ccccc2OCC,0.0
76897,CO-ADD:0230586,-8.15,[N+](=O)([O-])c1c(NCC\N=C\c2cc(Cl)ccc2O)ccc(c1)C(F)(F)F,0.0
76898,CO-ADD:0228519,-8.15,C1(C#N)(C#N)[C@H](c2ccc(cc2)Cl)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(C)=O,0.0
76899,CO-ADD:0230434,-8.15,C(=O)(C(c1ccccc1)c2ccccc2)Nc3ccccc3C,0.0
76900,CO-ADD:0230419,-8.15,C(=O)(c1ccc(cc1)C)Nc(cccc2C(=O)N\N=C\c(cc3)ccc3Br)c2,0.0
76901,CO-ADD:0230889,-8.15,C(=C(/C#N)\C#N)(/c(cccc1[N+](=O)[O-])c12)\c3c2ccc(c3)[N+](=O)[O-],0.0
76902,CO-ADD:0228135,-8.15,c1(NCC(=O)N\N=C(\C)/CCC=C)c(Br)cc(cc1Br)Br,0.0
76903,CO-ADD:0228071,-8.15,N(=C1c2ccccc2)\C(=C(\C)/c(cccc3[N+](=O)[O-])c3)\C(O1)=O,0.0
76904,CO-ADD:0228020,-8.16,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3O)\N=C\c4cc(I)ccc4O,0.0
76905,CO-ADD:0230028,-8.16,c1(ccc(\C=N\NC(=O)c2ccc(c(OC)c2)OC)o1)N(CC3)CCO3,0.0
76906,CO-ADD:0235460,-8.16,N(c1ccccc1)(c2ccccc2)C(=O)COC(=O)C(C(C)C)NC(C)=O,0.0
76907,CO-ADD:0232426,-8.16,C(=O)(NC1CCCCCCC1)c(cc2OC)cc(c2OC)OC,0.0
76908,CO-ADD:0232631,-8.16,s1c(CCCCCCCC)nnc1N,0.0
76909,CO-ADD:0232346,-8.16,n1c(c2ccc(cc2)Br)cn3c1cccc3,0.0
76910,CO-ADD:0223000,-8.16,N1(CNc(cc2)ccc2C(OC)=O)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OC)OC,0.0
76911,CO-ADD:0222932,-8.16,C(=O)(N\N=C\c1cc(Br)ccc1OC)c2cccc(Br)c2,0.0
76912,CO-ADD:0228274,-8.16,c1(C(c2ccccc2)=O)coc(ccc(OC)c3)c13,0.0
76913,CO-ADD:0228088,-8.17,c(\C=N\NC(CNc(ccc(c12)cccc1)c2)=O)(c(cccc3)c3n4C)c4,0.0
76914,CO-ADD:0232177,-8.17,c1(\C=N\c2cc(C)ccc2O)c(O)c(OC)cc(Br)c1Br,0.0
76915,CO-ADD:0230587,-8.17,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)Nc(cc3)ccc3CC,0.0
76916,CO-ADD:0223759,-8.17,C(=O)(NC1CC1)c2ccccc2Br,0.0
76917,CO-ADD:0232519,-8.17,n1c2c(oc1c3ccc(cc3)\N=C\c(cc(Br)cc4Cl)c4O)cccn2,0.0
76918,CO-ADD:0228912,-8.17,N1(\N=C\c2ccc(cc2OS(=O)(=O)c3ccc(cc3)C)OS(=O)(=O)c4ccc(cc4)C)C(=O)c5c(cccc5)C1=O,0.0
76919,CO-ADD:0230015,-8.17,c1(c(cc(Br)cc2Br)c2oc1CCC(C)=O)c3ccc(C)o3,0.0
76920,CO-ADD:0230553,-8.17,c1(\C=N\NC(=O)c(cc2OC)cc(c2OC)OC)c3c(cccc3)cc(cccc4)c14,0.0
76921,CO-ADD:0230325,-8.17,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)=O)O)c1,0.0
76922,CO-ADD:0228596,-8.17,C12(CCC1)CC2C(=O)N\N=C\c3ccc(Br)s3,0.0
76923,CO-ADD:0228155,-8.18,c1(NCC(=O)N\N=C\c(cccc2Oc3ccccc3)c2)c(Br)cc(cc1Br)Cl,0.0
76924,CO-ADD:0232366,-8.18,C1(C(=O)NNC(c2ccccc2)=O)=Cc3c(OC1=O)cccc3,0.0
76925,CO-ADD:0232720,-8.18,n1c(c(ccc(c2Cl)Cl)c2)csc1Nc3ccccc3OC.Br,0.0
76927,CO-ADD:0235167,-8.18,C(=O)(Oc1cccc(c1)\C=N\NC(COc(ccc(c2C)C)c2)=O)c3ccccc3Cl,0.0
76928,CO-ADD:0235027,-8.18,[N+](=O)([O-])c1cc(ccc1Br)\C=N\c(cc2)ccc2OC,0.0
76929,CO-ADD:0232673,-8.18,c1(\C(\CCC2)=N\O)c2oc(C(OCC)=O)c1C,0.0
76930,CO-ADD:0228918,-8.18,C(F)(F)(C(F)(F)COc(cc1)c(cc1C(F)(F)F)\N=C\c(cc(Br)cc2Br)c2O)C(F)(F)C(F)F,0.0
76931,CO-ADD:0228301,-8.18,S1(=O)(=O)c(cccc2)c2C(N(CCOCC=C)CCOCC=C)=N1,0.0
76932,CO-ADD:0230266,-8.18,[N+](=O)([O-])c1ccc(cc1)N\N=C(\CCCCC)/c2ccccc2,0.0
76933,CO-ADD:0223497,-8.18,c1(N=Nc(ccc(c2\C=N/c(cc3)ccc3OC)O)c2)nonc1N,0.0
76934,CO-ADD:0223419,-8.19,C(=O)(N\N=C\c1c(cccc1Cl)Cl)C(=O)NCC2CCCO2,0.0
76935,CO-ADD:0230262,-8.19,[N+](=O)([O-])c1ccc(cc1)N\N=C(/C)\c2ccc(c3c2O)cccc3,0.0
76936,CO-ADD:0228206,-8.19,S(=O)(=O)(N(CC1)CCO1)c2c(OC)ccc(c2)C(=O)Nc(cc3)ccc3NC(c4ccccc4)=O,0.0
76937,CO-ADD:0230091,-8.19,N1(CNc(cc2)ccc2Oc(cc3)ccc3NCN4C(=O)CCC4=O)C(=O)CCC1=O,0.0
76938,CO-ADD:0230465,-8.19,c1(cc(Br)cc(\C=N\c(ccc(c23)oc(c4ccc(c5c4)cccc5)n2)c3)c1O)[N+](=O)[O-],0.0
76939,CO-ADD:0228170,-8.19,S1(=O)(=O)c2c(C(Nc3cccc(C)c3)=N1)ccc(c2)[N+](=O)[O-],0.0
76940,CO-ADD:0228934,-8.19,c12c(cc(C)c(Br)c1)c3c(cccc3)C2=O,0.0
76941,CO-ADD:0228892,-8.19,C(/c1ccccc1Br)=N\C2CCCCC2,0.0
76942,CO-ADD:0232271,-8.19,c1(c(O)cc(c(Cl)c1C)C)\C=N\c2ccc(cc2C)Cl,0.0
76943,CO-ADD:0231869,-8.19,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c2cccc(OC)c2,0.0
76944,CO-ADD:0235081,-8.19,C(=O)(Oc(cc1)ccc1\C=N\NC(CNc(cc2)ccc2C)=O)c3ccccc3I,0.0
76945,CO-ADD:0235519,-8.19,c1(nonc1N)\C(=N\OC(=O)c2ccc(cc2)C)\Nc3ccccc3C,0.0
76946,CO-ADD:0235240,-8.19,c1(ccc(\C=N\NC(=O)c(cc2)ccc2[N+](=O)[O-])s1)[N+](=O)[O-],0.0
76947,CO-ADD:0235242,-8.19,c1(OC)c(OC)cc(cc1OC)\C=N\c(cc2)ccc2N(C)C(C)=O,0.0
76949,CO-ADD:0299882,-8.2,S(c1ccccc1)(=O)(=O)N2CCCC2C(OCC)=O,0.0
76950,CO-ADD:0288583,-8.2,C(N(CC1Cc2ncc(C)n2Cc3ccccc3)CCC1)(=O)OC(C)(C)C,0.0
76951,CO-ADD:0288799,-8.2,c(nc1)(nnc1C)Cc2ccccc2,0.0
76952,CO-ADD:0291185,-8.2,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc4c(Br)cc(cc4F)F)c1Cl,0.0
76953,CO-ADD:0291308,-8.2,c1(C(=O)c2ccc(cc2)C)cc(c3o1)ccc(OC)c3,0.0
76954,CO-ADD:0299440,-8.2,c1(NC(CSc2nc(C)cc(C)c2C#N)=O)nnc(CC)s1,0.0
76955,CO-ADD:0299312,-8.2,N1(CCC#N)C(c2ccccc2)CC(C)=N1,0.0
76956,CO-ADD:0278498,-8.2,C(C#N)(C1c2ccc(cc2)Br)=C(N)OC(CCCC3=O)=C13,0.0
76957,CO-ADD:0283171,-8.2,n1c(N)[nH]nc1SCSc2n[nH]c(N)n2,0.0
76958,CO-ADD:0279010,-8.2,c1(cc2c(cc1Cl)OCCO2)C(c3ccccc3)=O,0.0
76959,CO-ADD:0259841,-8.2,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(cc4)cc(c4OC(=O)C5CC5)OCC,0.0
76960,CO-ADD:0259005,-8.2,N1(C(C)=O)c2c(\C(=C\C(OCC)=O)\C1=O)cc(Br)cc2,0.0
76961,CO-ADD:0258128,-8.2,N1(C)C(=S)SC(C)(C)C1\[N+](\[O-])=C\c(cccc2[N+](=O)[O-])c2,0.0
76962,CO-ADD:0258427,-8.2,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)S1)=C\c3cccc(Cl)c3,0.0
76963,CO-ADD:0259040,-8.21,n1(nnc(C(N)=O)c1CN2CCCCC2)c3nonc3N,0.0
76964,CO-ADD:0257504,-8.21,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)NCC(N)=O,0.0
76965,CO-ADD:0257464,-8.21,n1(c2c(nc1)cccc2)C(=O)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
76966,CO-ADD:0259678,-8.21,C(/c1c(cccc1)CC23CCCCC2)(\N3)=C(/c4ccccc4)\C#N,0.0
76967,CO-ADD:0286232,-8.21,c12c(nnc(SCC(=O)Nc3nnc(C)s3)n1)c4c(cccc4)n2CC=C,0.0
76968,CO-ADD:0284980,-8.21,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccccc4)C3c5ccccc5F,0.0
76969,CO-ADD:0285024,-8.21,c1(C2c3ccccc3)c(CCN2C(=O)c4ccc(c(Cl)c4)Cl)c5c(cccc5)[nH]1,0.0
76970,CO-ADD:0285848,-8.21,C(/c(cccc1)c12)(\C(=S)C(N2C(C(C)C)=O)(C)C)=C(/SC(=C3C(OCC)=O)C(OCC)=O)\S3,0.0
76971,CO-ADD:0284969,-8.21,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)Cl)C3c5cccc(cccc6)c56,0.0
76972,CO-ADD:0284939,-8.21,N1(CN2CCC(CC2)C)C(=O)\C(\SC1=S)=C/c(cc3)ccc3OC,0.0
76973,CO-ADD:0285747,-8.21,N(NC(=O)c1ccccc1C)(C(=O)C(C2C3(Br)c4c5cccc4)C5(Br)c6c3cccc6)C2=O,0.0
76974,CO-ADD:0286125,-8.21,s1c(C)nnc1SCC(=O)c2ccc(c(OC)c2)OC,0.0
76975,CO-ADD:0290659,-8.21,c1(NC(C(C)C)=O)sc(c(C)c1C(OC)=O)C(N)=O,0.0
76976,CO-ADD:0285793,-8.21,N(CC1)(CCN1C(C#N)c2ccco2)C(C#N)c3ccco3,0.0
76977,CO-ADD:0286230,-8.21,c12c(nnc(SCC(=O)Nc3cc(on3)C)n1)c4c(cccc4)n2CC=C,0.0
76978,CO-ADD:0287314,-8.22,c1(ccc(c2ccccc2)o1)C(=S)N(CC3)CCN3c4ccccc4,0.0
76979,CO-ADD:0294314,-8.22,[C@]123[C@](c4c(cccc4)C1=O)(OC(C)=C2C(=O)OC(C)CC)OC(N)=C3C#N,0.0
76980,CO-ADD:0292768,-8.22,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(cc5)ccn5)cccc4,0.0
76981,CO-ADD:0293947,-8.22,c12c(ccc(c1)C(=O)N3CCC(CC3)c4ccccc4)C(=O)c(c5C2=O)cccc5,0.0
76982,CO-ADD:0296023,-8.22,c1(c2c([nH]c1O)cccc2)N=NC(=O)C(CCC)(CCC)O,0.0
76983,CO-ADD:0296024,-8.23,c1(N=NC(=O)C(O)(c2cccc(C)c2)c3cccc(C)c3)c4c(n(CC)c1O)cccc4,0.0
76984,CO-ADD:0294730,-8.23,N(C1c2ccc(c(OC)c2)OC)(C(=O)C(=C1C(c3ccccc3)=O)O)c4sc5c(ccc(Br)c5)n4,0.0
76985,CO-ADD:0292437,-8.23,n12c(S\C(=C\c(cc3OC)cc(c3O)Br)\C1=O)nc(cc(C)c(C)c4)c24,0.0
76986,CO-ADD:0295501,-8.23,C(C(OCC)=O)(C(F)(F)F)(NC(OCC)=O)Nc1sc(c2c1C#N)CCCCC2,0.0
76987,CO-ADD:0293557,-8.23,C(=C\c(ccc(c1OC)OC)c1)(/NC(=O)c(cc2)ccc2C(C)(C)C)\C(=O)N3CCCCCC3,0.0
76988,CO-ADD:0293729,-8.23,C(=O)(c1ccc(cc1)NC(C)=O)N(c2ccccc2)c3ccc(c4c3)cccc4,0.0
76989,CO-ADD:0293523,-8.23,c1(NC(COc(cc2)ccc2F)=O)sc3c(CCC(C(C)(C)C)C3)c1C(N)=O,0.0
76990,CO-ADD:0295132,-8.23,N1(CC=C)C(=O)C2C(C3C(C4C2C=C3)C(C4C5=O)C(N5CC=C)=O)C1=O,0.0
76991,CO-ADD:0295286,-8.23,c(C(O)=O)(c1c2cccc1)cc(n2)c3ccc(cc3)SC,0.0
76992,CO-ADD:0295539,-8.23,n1c(cccc2)n2cc1C(C)(C)O,0.0
76993,CO-ADD:0295761,-8.23,c1(C(OC)=O)cc2c(cc1NC(C3CCCCC3)=O)OCO2,0.0
76994,CO-ADD:0292334,-8.23,N1(C2CCCCC2)C(=O)C3C(C4C(C5C3C=C4)C(C5C6=O)C(N6C7CCCCC7)=O)C1=O,0.0
76995,CO-ADD:0295805,-8.24,c1(scc(c2ccccc2)c1C(OCC)=O)NC(=O)c3cc(F)c(cc3Cl)F,0.0
76996,CO-ADD:0292665,-8.24,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(OC)=O)n2,0.0
76997,CO-ADD:0299892,-8.24,N(CC1CI)(c2c([n+]13)c(ccc2)ccc3)S(=O)(=O)c4ccc(cc4)C,0.0
76998,CO-ADD:0300092,-8.24,C1(CC(C)C)=C(C)c(ccc(c2)OCCCC)c2OC1=O,0.0
76999,CO-ADD:0286119,-8.24,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCCC2)C(=O)Nc4cccc(cccc5)c45,0.0
77000,CO-ADD:0286167,-8.24,N1(c2ccccc2)C(c3ccc(c(OC)c3)OCc4c(cccc4Cl)Cl)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
77001,CO-ADD:0286863,-8.24,c1(N2CCC(CC2)c3ccccc3)scc(c4ccccc4)n1,0.0
77002,CO-ADD:0291325,-8.24,C1(Oc2cccc(OC)c2)=C(I)C(=O)NC(N)=N1,0.0
77003,CO-ADD:0299481,-8.24,N1(c2ccc(cc2C)C)C(c3ccc(cc3)Br)CC(c4ccc(cc4)Cl)=N1,0.0
77004,CO-ADD:0285195,-8.24,N1(c2cc(C)ccc2C)C(=O)\C(\SC1=N)=C/c(ccc(c3OCC)OCc4ccccc4F)c3,0.0
77005,CO-ADD:0287585,-8.24,C(C#N)(C(c1ccc(cc1Cl)Cl)C2=C(N3c4ccc(c(Cl)c4)Cl)CCCC2=O)=C3N,0.0
77006,CO-ADD:0287814,-8.25,c(C#N)(c1c2ccccc2)c(SCc3ccccc3Cl)nc(CCC(C(C)(C)C)C4)c14,0.0
77007,CO-ADD:0287150,-8.25,N1(c2ccccc2Oc(ccc(c3C4=O)C(O4)=O)c3)C(=O)c5c(cc(cc5)Oc(cc6)ccc6C(O)=O)C1=O,0.0
77008,CO-ADD:0259045,-8.25,C(C#N)(C1CCC)=C(SCC(=O)c2ccc(cc2)Br)NC(C)=C1C(C)=O,0.0
77009,CO-ADD:0257213,-8.25,n1(nnc(C(OCC)=O)c1CSc2n[nH]cn2)c3nonc3N,0.0
77010,CO-ADD:0258378,-8.25,c1(Sc2ccc(\C=N\NC(=O)c3ccccc3O)o2)sc4c(ccc(OCC)c4)n1,0.0
77011,CO-ADD:0257694,-8.25,N1(c2ccccc2C)C(=O)c(c3C1=O)ccc(c3)C(=O)OC(CCl)CCl,0.0
77012,CO-ADD:0259487,-8.25,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4Br)O)c4)\C1=O,0.0
77013,CO-ADD:0258125,-8.25,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4cccc(C)c4)\N2,0.0
77014,CO-ADD:0278720,-8.25,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)S\C(\NC)=N\c3cccc(Cl)c3,0.0
77015,CO-ADD:0259004,-8.25,c1(cc(cc(N)c1C(N)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
77016,CO-ADD:0259044,-8.25,S(=O)(=O)(c1ccc(cc1)OC)C(c2ccccc2)CC(c3ccccc3)=O,0.0
77017,CO-ADD:0257563,-8.25,c(\C=N/NC(=O)c1cccc(c1)NC(CCCC)=O)(c2c([nH]3)cccc2)c3,0.0
77018,CO-ADD:0257237,-8.26,N1(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C(=C/c4c(OC)ccc(cccc5)c45)\C1=O,0.0
77019,CO-ADD:0257757,-8.26,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c4cccc(OC)c4)\C1=O,0.0
77020,CO-ADD:0287803,-8.26,C(C(OCC)=O)(C1c(cc2)ccn2)=C(CC(OCC)=O)OC(N)=C1C#N,0.0
77021,CO-ADD:0287996,-8.26,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(cc4)ccc4C(F)(F)F)cc(c(C)c3)C,0.0
77022,CO-ADD:0287869,-8.26,c1(C#N)c(\C(\C#N)=C\c2cc(OC)ccc2OC)nn(CCO)c1\N=C\c(cc3)ccc3C,0.0
77023,CO-ADD:0288943,-8.26,n12c(c3c(Oc(cc(C(OC)=O)cn4)c14)cccc3)cc(CN(CCO5)CC5)n2,0.0
77024,CO-ADD:0285883,-8.26,N(CN(CC1C)CC(O1)C)(N=C(N2CC=C)c3ccccc3)C2=S,0.0
77025,CO-ADD:0291661,-8.26,c1(Oc(cc2)ccc2O)c(Cl)cc(cn1)Cl,0.0
77026,CO-ADD:0285807,-8.26,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3cc(Cl)ccc3OCc4c(cccc4F)Cl,0.0
77027,CO-ADD:0284946,-8.26,N1(CC(OC)OC)C(=O)c2c(cc(cc2)F)C1=O,0.0
77028,CO-ADD:0287890,-8.26,C1(C(=O)Nc(cccc2C(F)(F)F)c2)C(C13)CC\C=C/CC3,0.0
77029,CO-ADD:0286449,-8.26,c12n(CC(C)S1)cc(c(cc3)ccc3[N+](=O)[O-])n2,0.0
77030,CO-ADD:0286348,-8.26,P(CCOCCP(c1ccccc1)(c2ccccc2)=O)(c3ccccc3)(c4ccccc4)=O,0.0
77031,CO-ADD:0292098,-8.27,c1(sc(c2n1)ccc(OC)c2)NC(=O)c(ccc(c3[N+](=O)[O-])OC)c3,0.0
77032,CO-ADD:0288084,-8.27,c1(ccc(cc1O)C)C2SCc3c(cc(c(C)c3)C)CS2,0.0
77033,CO-ADD:0292474,-8.27,c(n1)(C2=O)c([nH]n1)C(c([nH]n3)c2n3)=O,0.0
77034,CO-ADD:0292584,-8.27,N1(c(cc2)ccc2C(OCCC)=O)C(=O)c3c(c4C1=O)c(ccc3)cc(Br)c4,0.0
77035,CO-ADD:0292751,-8.27,n12c(S\C(=C/c(ccc(c3OC)OC)c3)\C1=O)nnc2c4ccc(cc4)C,0.0
77036,CO-ADD:0295230,-8.27,C(C(=O)c1ccc(cc1)C)(C2c3cccc(OC)c3)=C(O)C(N2Cc(cccn4)c4)=O,0.0
77037,CO-ADD:0296003,-8.27,n1(c2ccc(c3c2)OCO3)nnnc1SCc4cccc(F)c4,0.0
77038,CO-ADD:0294421,-8.27,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)NC(C)(C)C)c1Cl,0.0
77039,CO-ADD:0293625,-8.27,C1(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)NC(=O)CC1c3ccccc3[N+](=O)[O-],0.0
77040,CO-ADD:0293262,-8.27,N1(c2cccc(c2)C(OCC)=O)C(=O)C(C(C1=O)C34CC)C(c(c35)cccc5)c(c46)cccc6,0.0
77041,CO-ADD:0295514,-8.27,N1c2c(cccn2)NC(=O)C1=O,0.0
77042,CO-ADD:0292327,-8.27,c1(C(=O)N(C)C(=N2)S)c2sc(CC(C)CC3)c13,0.0
77043,CO-ADD:0293349,-8.27,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(c(OC)c5)OC)cccc4,0.0
77044,CO-ADD:0293048,-8.27,N(CC1)(CCN1c(cc2)c(F)cc2C(c3ccccc3)=O)C(CC)=O,0.0
77045,CO-ADD:0292271,-8.27,C(/c1ccccc1)(=C/Sc2sc(c3n2)cccc3)\[N+](=O)[O-],0.0
77046,CO-ADD:0293688,-8.27,N1(C(c2ccc(cc2)OC)N(CC1=O)Cc3ccccc3)\N=C(/C)\c(cc4)ccc4[N+](=O)[O-],0.0
77047,CO-ADD:0295408,-8.27,c1(C2c(cc3)ccc3C(F)(F)F)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
77048,CO-ADD:0295457,-8.28,c1(Sc2cc(ccc2[N+](=O)[O-])N(CC3)CCO3)nncn1C,0.0
77049,CO-ADD:0293082,-8.28,c1(NC(Cc(cc2)ccc2Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
77050,CO-ADD:0295092,-8.28,N1(C(=O)c2c(cccc2)C1=O)c3nnc(SCC(=O)NC4CC4)s3,0.0
77051,CO-ADD:0286503,-8.28,S(C)(=O)(=O)N(Cc(cc1)ccc1C(NCCOc2ccccc2C(C)C)=O)c3ccc(c(C)c3)C,0.0
77052,CO-ADD:0291333,-8.28,N12C(S\C(=C\c(cc3)ccc3O)\C1=O)=NC(c4ccc(c(OC)c4)O)C(C(OCC)=O)=C2C,0.0
77053,CO-ADD:0286857,-8.29,N1(c2ccc(cc2)OC)C(c3ccc(c(OC)c3)OCc(cc4)ccc4Cl)N(N=C1C(C)=O)c5ccc(cc5)Cl,0.0
77054,CO-ADD:0286929,-8.29,C(COc(cc1)ccc1F)(=O)Nc(cc2)ccc2I,0.0
77055,CO-ADD:0286090,-8.29,c(cc(cc1C(O)=O)NC(COc2c(C)cccc2C)=O)(c1)C(O)=O,0.0
77056,CO-ADD:0287854,-8.29,N1(c2ccc(c3c2)OCO3)C(=O)\C(\SC1=N)=C\c4ccccc4F,0.0
77057,CO-ADD:0287144,-8.29,S(=O)(=O)(c1ccc(cc1)C)Nc2c(Cl)cc(c(Cl)c2)Cl,0.0
77058,CO-ADD:0287440,-8.29,c(c1c(s2)CCCC1)(C3=O)c2NC(=O)N3c4ccccc4,0.0
77059,CO-ADD:0291852,-8.29,C(/S\C(\N1CC)=C(/C(Nc2ccccc2)=NN3c4ccccc4)\C3=O)(\C1=O)=C(/Sc(c56)ccc(OC)c5)\N6CC,0.0
77060,CO-ADD:0287154,-8.29,C1(=C(C)NC(C(C(OCC)=O)=C1)=O)C(=O)NC(C)c2ccccc2,0.0
77061,CO-ADD:0291606,-8.29,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)N(CC4)CCN4C(c5ccccc5)c6ccccc6,0.0
77062,CO-ADD:0257286,-8.29,C(C(OC)=O)(C1c2ccc(cc2)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)C,0.0
77063,CO-ADD:0257926,-8.29,C(=C/c(cc(OC)c(c1)OCC)c1Br)(/C(=O)N2C)\C(=O)N(C2=S)C,0.0
77064,CO-ADD:0257624,-8.29,N12C(S\C(=C\c3cccs3)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
77065,CO-ADD:0257896,-8.29,C1(C(=O)Nc(cc2)ccc2CC)=Cc3c(OC1=O)ccc(Br)c3,0.0
77066,CO-ADD:0258104,-8.29,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(\C=C1c3ccccc3)=C\c(ccc4c(ccc(c5Cl)Cl)c5)o4,0.0
77067,CO-ADD:0259220,-8.29,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c(cc3)ccc3[N+](=O)[O-],0.0
77068,CO-ADD:0259558,-8.29,n12c(nc(cc1C(F)(F)F)c3cccs3)cc(C(=O)NNC(=O)c4ccco4)n2,0.0
77069,CO-ADD:0257914,-8.29,c1(C(OCC)=O)oc(c2c1NC(=O)CN(CC3)CCO3)cccc2,0.0
77070,CO-ADD:0278755,-8.3,s1c(CCN2CCCCC2)nnc1N,0.0
77071,CO-ADD:0259874,-8.3,C1(C)(C(OCC)=O)C=C(C(=O)N1c2ccccc2)Nc(cc3)ccc3OCC,0.0
77072,CO-ADD:0277388,-8.3,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c3cc(OCO4)c4cc3[N+](=O)[O-])\N2C5CCCCC5,0.0
77073,CO-ADD:0278828,-8.3,C(C(OCCCCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4cc(OC)ccc4OC,0.0
77076,CO-ADD:0288812,-8.3,CC(NCC#C)=O,0.0
77077,CO-ADD:0290368,-8.3,C1(NC(CSc2nc(C)cc(n2)C(F)(F)F)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
77078,CO-ADD:0290371,-8.3,c(cnn1CC(=O)N(CC2C)CC(O2)C)(c1)[N+](=O)[O-],0.0
77079,CO-ADD:0285895,-8.3,N1(c2ccc(cc2)F)C(=O)C(CC1=O)SCC(N)C(OCC)=O.Cl,0.0
77080,CO-ADD:0287893,-8.3,C(C(F)(F)F)(C(F)(F)F)(NC(OCC)=O)Nc1c(cccn1)C,0.0
77081,CO-ADD:0286843,-8.31,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCC2)C(=O)N(CC4)CCN4Cc5ccccc5,0.0
77082,CO-ADD:0291130,-8.31,C(=O)(Nc1ccccc1C(=O)Nc2ccccc2C)C(O)(c3ccccc3)c4ccccc4,0.0
77083,CO-ADD:0291766,-8.31,N1(c2ccc(c(C)c2)C)C(=O)\C(=C/c(ccc3c4c(OC)ccc(c4)[N+](=O)[O-])o3)\C(N(c5ccccc5)C1=S)=O,0.0
77084,CO-ADD:0299903,-8.31,n1c(c2ccccc2)nnn1CC(OCC)=O,0.0
77085,CO-ADD:0286345,-8.31,P(O)(O)(=O)c1ccccc1OCCOCCOCCOCCOc2ccccc2P(O)(O)=O,0.0
77086,CO-ADD:0285526,-8.31,C12(O)C(O)(c3c(cccc3)C1=O)N(C(=O)N2)CCC,0.0
77087,CO-ADD:0285552,-8.31,C12=C(C=C(C#N)C(=N)N1Cc3ccco3)C(N4C(C=CC=C4)=N2)=O,0.0
77088,CO-ADD:0285554,-8.31,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(c3ccccc3)c1CSc4ccccc4,0.0
77089,CO-ADD:0299795,-8.31,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c(cc3)ccc3O)\C1=O)=O,0.0
77090,CO-ADD:0293792,-8.31,C1(O)(CC(=O)c2ccc(cc2)OC)c(cc(Br)cc3)c3N(C)C1=O,0.0
77091,CO-ADD:0293771,-8.31,C(=N/c(cc(C)cc1C)c1)(/S\C(\C2=O)=C\c(cc(I)c(c3[N+](=O)[O-])O)c3)\N2C4CCCCC4,0.0
77092,CO-ADD:0295868,-8.31,C(C#N)(C1c2ccc(cc2)OC(c3ccccc3)=O)=C(N)OC(CCCC4=O)=C14,0.0
77093,CO-ADD:0295796,-8.31,n1c(SCC(=O)N(CC)CC)snc1SCC(=O)N(CC)CC,0.0
77094,CO-ADD:0292546,-8.32,N1(C=O)C(C)CC(Nc(ccc(N)c2)c12)=O,0.0
77095,CO-ADD:0294422,-8.32,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc(ccc(c4Cl)F)c4)c1Cl,0.0
77096,CO-ADD:0293054,-8.32,n1c(c(cc2OC)cc(c2O)OC)[nH]c(c3c(cccc3)c(cccc4)c45)c15.Cl,0.0
77097,CO-ADD:0292756,-8.32,C1(=Cc(cccc2OC)c2OC1=O)C(=O)Nc3ccccc3OCC,0.0
77098,CO-ADD:0294617,-8.32,c1(c(cccn2)c2)oc(c3n1)ccc(c3)NC(=O)c4ccc(c5ccc(cc5)Cl)o4,0.0
77100,CO-ADD:0292947,-8.33,C12(c(cccc3)c3C(c4ccc(cc4)C)(c5ccc(cc5)C)S1)N(c6ccccc6)N=C(C(C)=O)S2,0.0
77101,CO-ADD:0293389,-8.33,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c4ccc(cc4F)F)\C1=O,0.0
77102,CO-ADD:0292272,-8.33,C(/c1ccccc1)(=C/Sc2sc3c(ccc(OCC)c3)n2)\[N+](=O)[O-],0.0
77103,CO-ADD:0292362,-8.33,C1(C2Cl)C(CC2Sc3ccccc3[N+](=O)[O-])C(c4ccc(cc4)Br)Nc(ccc(C(O)=O)c5)c15,0.0
77104,CO-ADD:0294028,-8.33,C(OC(O1)(C)C)(C2O)C1OC2C3COC(C)(C)O3,0.0
77105,CO-ADD:0292341,-8.33,C(=C\c1ccccc1)(/NC(C)=O)\C(NCCCO)=O,0.0
77106,CO-ADD:0299909,-8.33,C12(c(cccc3)c3C(c4ccc(cc4)Cl)(c5ccc(cc5)Cl)S1)N(c6ccc(cc6)Br)N=C(C(c7ccccc7)=O)S2,0.0
77107,CO-ADD:0288963,-8.33,S(=O)(=O)(N1CCCC1)c(cn2)cc(c23)Oc(cccc4)c4C(=NCC5)N35,0.0
77108,CO-ADD:0289054,-8.33,S(c1ccccc1)(=O)(=O)N2CCC(CC2)CC(O)=O,0.0
77109,CO-ADD:0288714,-8.33,Cn(c1C)c(COC2CNCCC2)nc1.Cl.Cl,0.0
77110,CO-ADD:0289072,-8.33,c1(C(=O)Nc(cc2)ccc2F)sc(nn1)CCC(O)=O,0.0
77111,CO-ADD:0285898,-8.33,C(C(c1ccccc1)=O)(C(CC)N2)=C(C)NC2=S,0.0
77112,CO-ADD:0279154,-8.33,C(=C\c(ccc1c2cc(Cl)cc(Cl)c2)o1)(/C3=O)\Sc(c34)cccc4,0.0
77113,CO-ADD:0259181,-8.33,C(C(OCC)=O)(=CN(CC)c1c2cc(c(N(CC3)CCO3)c1)F)C2=O,0.0
77114,CO-ADD:0258679,-8.33,c(c1c2cccc1)(cc(n2)c3ccc(cc3)OC)C(=O)Nc(cc4)ccc4Br,0.0
77115,CO-ADD:0283291,-8.34,C(=O)(OC(C)C)C1C(C(NCC=C)=O)C2CC1C=C2,0.0
77116,CO-ADD:0283301,-8.34,N1(C(C)OC)C=C(F)C(NC1=O)=O,0.0
77117,CO-ADD:0260213,-8.34,C(c(cc1)ccn1)(=O)N\N=C\c(ccc(c23)cccn2)c3,0.0
77118,CO-ADD:0284529,-8.34,n12c(S\C(=C/c3ccco3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
77119,CO-ADD:0259584,-8.34,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c5cc(Cl)ccc5O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
77120,CO-ADD:0260192,-8.34,C(=C\c1cccc(c1)OCc(cc2)ccc2Cl)(/C3=O)\Sc(c34)cccc4,0.0
77121,CO-ADD:0283782,-8.34,n1nc(c2n1OCc(cc3)ccc3Br)ccc(c2)[N+](=O)[O-],0.0
77122,CO-ADD:0288817,-8.34,c1(cccnc1)C(NCC#C)=O,0.0
77123,CO-ADD:0288484,-8.34,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N2CCC(CC2)CC(O)=O,0.0
77124,CO-ADD:0291044,-8.34,c1(C(NCCCN(CC2)CCO2)=O)c(C)cc(cc1C)C,0.0
77125,CO-ADD:0291096,-8.34,C(=C/c1cccc(c1)OCc2ccccc2F)(/C(=O)NC(N3CC=C)=O)\C3=O,0.0
77126,CO-ADD:0291890,-8.34,c1(c2ccc(OCC(=O)Nc(cccc3C(OCCCC)=O)c3)c1)OC(C=C2C)=O,0.0
77127,CO-ADD:0287305,-8.34,c1(cc(F)c(cc1[N+](=O)[O-])F)C(=O)N(CC2)CCO2,0.0
77128,CO-ADD:0287619,-8.34,c1(c(ccc(C(OCC)=O)c1)nc(c2C\C=C(\C)/Cl)C)c2O,0.0
77129,CO-ADD:0287395,-8.34,N(C(=O)\C(\S1)=C/c2cc(OC)ccc2OC)=C1N3CCC(CC3)C,0.0
77130,CO-ADD:0299603,-8.34,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c5ccc(cc5)F,0.0
77131,CO-ADD:0299580,-8.34,N1(CN2CCC(CC2)C)C(=S)SC=C1c3ccc(cc3)Cl,0.0
77132,CO-ADD:0299589,-8.34,S(=O)(=O)(c1ccc(cc1)NC(C)=O)Nc(cccc2NC(=O)c3cc(F)c(cc3Cl)F)c2,0.0
77133,CO-ADD:0290855,-8.34,N1(c2ccc(cc2)I)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3F,0.0
77134,CO-ADD:0286936,-8.34,S(=O)(=O)(NCc1ccccc1)c(ccc(c2C(=O)N3CCCCCC3)C)c2,0.0
77135,CO-ADD:0295594,-8.35,N1(c2c(Br)ccc(C(O)=O)c2)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
77136,CO-ADD:0294574,-8.35,[N+](=O)([O-])c1ccc(cc1NC(C)C23CC4CC(CC(C4)C2)C3)N(CC5)CCO5,0.0
77137,CO-ADD:0295056,-8.35,c1(nc(c2n1Cc(cc3)ccc3C(C)(C)C)cccc2)c4nonc4NC(C)=O,0.0
77138,CO-ADD:0292560,-8.35,c1(cc(ccc1N(CC2)CCN2S(C)(=O)=O)C(F)(F)F)[N+](=O)[O-],0.0
77139,CO-ADD:0295252,-8.35,c1(cc(ccc1N2CCCC(O)C2)[N+](=O)[O-])C(F)(F)F,0.0
77140,CO-ADD:0294737,-8.35,c(c1cccs1)([nH]nc2c3cc(OC)ccc3O)c2,0.0
77141,CO-ADD:0292261,-8.35,C(/C(C)=NN1c2cccc(c2)C(O)=O)(=C/c3sccc3C)\C1=O,0.0
77142,CO-ADD:0292371,-8.35,C1(SCC(=O)N1c2ccc(c(C)c2)C)(c3c(N4CN(CC5)CCN5c6ccccc6)cccc3)C4=O,0.0
77143,CO-ADD:0294030,-8.35,P(=O)(Oc(ccc(c12)cccc1)c2)(Oc(ccc(c34)cccc3)c4)Oc(ccc(c56)cccc5)c6,0.0
77144,CO-ADD:0292356,-8.35,C(=C(/C1)\CCCC1)(/C#N)\C(=O)Nc2ccccc2,0.0
77145,CO-ADD:0294545,-8.35,c1(nc(C)c(n2)C)n2cc(c3ccc(cc3)C)n1,0.0
77146,CO-ADD:0294619,-8.35,n1c2c(oc1c3ccc(cc3)NC(=O)c(cc4OCC)cc(c4OCC)OCC)ccc(C)c2,0.0
77147,CO-ADD:0295787,-8.35,n1c(SCC(=O)N2CCCCC2)snc1SCC(=O)N3CCCCC3,0.0
77148,CO-ADD:0293342,-8.35,C(=C(C)NC(=C1C#N)SCC(=O)Nc2ccccc2C)(C(=O)Nc3ccccc3OC)C1c4cccs4,0.0
77149,CO-ADD:0293306,-8.36,[N+](=O)([O-])\N=C(/N)\Nc(cc1)ccc1NC(C2CCCCC2)=O,0.0
77150,CO-ADD:0295289,-8.36,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCN3C(c4ccc(cc4)F)c5ccc(cc5)F)C1=O,0.0
77151,CO-ADD:0295018,-8.36,c1(C2c3ccccc3OCC)c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
77152,CO-ADD:0295780,-8.36,C(=O)(NC1CCCCCC1)c(ccc(c23)OCO2)c3,0.0
77153,CO-ADD:0289222,-8.36,C(=O)(OC(C)(C)C)N\N=C(/CCCN1Cc2ccccc2)\C1,0.0
77154,CO-ADD:0288835,-8.36,c(c([N+](=O)[O-])cc1)cc1CC(=O)NCC#C,0.0
77155,CO-ADD:0289334,-8.36,c1(onc(CCNC)n1)C(=O)Nc(ccc(OCO2)c23)c3.Cl,0.0
77156,CO-ADD:0288821,-8.36,c1(cnccn1)C(NCC#C)=O,0.0
77157,CO-ADD:0289376,-8.36,C(=O)(OC(C)(C)C)N(CCC1(CCOC)\C(\N)=N/O)CC1,0.0
77159,CO-ADD:0287745,-8.37,c1(nonc1N)N(CC(=O)Nc2c(cccc2Cl)Cl)N=Nc3nonc3N,0.0
77160,CO-ADD:0288009,-8.37,C(=C\c1cc(ccc1N(CC2)CCC2C(N)=O)[N+](=O)[O-])(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
77161,CO-ADD:0288065,-8.37,c1(cc(Br)ccc1O)C2SCc(c3CS2)cc(c(C)c3)C,0.0
77162,CO-ADD:0287722,-8.37,n1c(c2ccc(cc2)CC)csc1N\N=C(\C)/c3ccc(Br)s3.Br,0.0
77163,CO-ADD:0291163,-8.37,C1(C#N)(C#N)[C@H](c2ccc(cc2F)F)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(c5ccccc5)=O,0.0
77164,CO-ADD:0290811,-8.37,C1(C)(C(OCC)=O)\C(=N/Nc2ccccc2Cl)\C(C(=O)N1c3ccccc3)=O,0.0
77165,CO-ADD:0283636,-8.37,n1(c2ccccc2)c(COc(ccc(c3C)C)c3)nnc1SCc(cc4)ccc4OC,0.0
77166,CO-ADD:0284309,-8.37,c1(N\N=C(/c2ccccc2)\N=Nc3ccccc3Cl)sc(c4n1)cccc4,0.0
77167,CO-ADD:0283830,-8.37,c(c1Cl)([N+](=O)[O-])c(Cl)nc(Cl)c1C(O)=O,0.0
77168,CO-ADD:0279077,-8.38,c(C(=O)c1ccc(cc1)F)(sc(c23)nc(c4c2c5ccccc5)\C(\CCC4)=C\c6ccccc6)c3N,0.0
77169,CO-ADD:0278421,-8.38,C1(C#N)=C(SCC(OCc2ccccc2)=O)NC(=O)CC1c3ccccc3[N+](=O)[O-],0.0
77170,CO-ADD:0283164,-8.38,c1(c2c(sc1NC(=O)c3ccccc3F)CCCCC2)C(=O)Nc4cccc(cccc5)c45,0.0
77171,CO-ADD:0277778,-8.38,[N+](=O)([O-])c(cc1)cc(c1C(=O)N\N=C(/C)\c2ccc(cc2O)O)Cl,0.0
77172,CO-ADD:0258115,-8.38,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c(cc3)ccc3OCc4ccccc4)\N2,0.0
77173,CO-ADD:0258085,-8.38,C(=C\c(cc1)ccc1O)(/C(=O)N2CC)\C(=O)N(C2=S)CC,0.0
77174,CO-ADD:0258461,-8.38,C1(C)(C(C)(C)OC2=O)N2CCN3C(C(C)(C)OC3=O)=C1,0.0
77175,CO-ADD:0283082,-8.38,n1c(csc1\C(\C#N)=C/c2ccccc2)c3cccs3,0.0
77176,CO-ADD:0287523,-8.38,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccccc5OCc6ccccc6)cccc4,0.0
77177,CO-ADD:0287555,-8.39,C(=O)(c1cccc(c1)C#CC2(CCCCC2)O)Nc(cc3)ccc3OC,0.0
77178,CO-ADD:0287357,-8.39,c1(SCc2ccc(cc2Cl)Cl)ncccn1,0.0
77179,CO-ADD:0287677,-8.39,N1(C2c3ccccc3OC)C(S\C(=C\c(cc4OC)cc(c4OCc5ccccc5C#N)I)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
77180,CO-ADD:0285459,-8.39,c1(c2c3ccc(cc3)Cl)c(C(c4c(cccc4)C1=O)=O)c(n2c(cc5)ccc5S(N)(=O)=O)c6ccccc6,0.0
77181,CO-ADD:0299210,-8.39,c1(C2c3ccc(cc3Cl)Cl)c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
77182,CO-ADD:0285499,-8.39,N(N=C(S1)CC)(C2=O)C1=NC(O)=C2C(c(cc3)ccc3[N+](=O)[O-])C(=C(O)N=C4N5N=C(S4)CC)C5=O,0.0
77183,CO-ADD:0299628,-8.39,N1(c2cccc(c2)C(=O)Nc(cc3)ccc3C(O)=O)C(=O)c(c4C1=O)cccc4,0.0
77184,CO-ADD:0290798,-8.39,n(ccn1CCCNC(=O)c2ccc(cc2)Cl)c1,0.0
77185,CO-ADD:0291030,-8.39,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)C(C)CN2S(=O)(=O)c3ccc(cc3)Cl,0.0
77186,CO-ADD:0285886,-8.39,C(=C\c1cc(Br)ccc1OCc(cc2)ccc2F)(/C(=O)NC(N3CC=C)=O)\C3=O,0.0
77187,CO-ADD:0287999,-8.39,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5ccccc5OCc6ccccc6)cccc4,0.0
77188,CO-ADD:0286688,-8.4,c1(c(O)ccc2\C=N\NC(=O)c3ccc(cc3)F)c2cccn1,0.0
77189,CO-ADD:0286106,-8.4,c12c(nnc(N\N=C\c(ccc(c3[N+](=O)[O-])O)c3)n1)c(c4[nH]2)cccc4C,0.0
77190,CO-ADD:0295112,-8.4,C(=O)(NC(=O)NN(C)C)c1c(Cl)cc(nc1Cl)Cl,0.0
77191,CO-ADD:0294697,-8.4,N1C(c2ccc(cc2)O)SCC1C(O)=O,0.0
77192,CO-ADD:0295985,-8.4,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)Nc(cc3)ccc3OC(F)(F)F,0.0
77193,CO-ADD:0295945,-8.4,c(Nc1nc(C)cc(C)n1)(n2)nc(nc2OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F,0.0
77194,CO-ADD:0295246,-8.4,S(N)(=O)(=O)c1ccc(cc1)NC(CSc2nc(c3cccs3)cc(C(F)(F)F)c2C#N)=O,0.0
77195,CO-ADD:0294799,-8.4,n1(c2ccccc2OC)c(ccc(c3)NCc4cccc(OC)c4OC)c3nc1,0.0
77196,CO-ADD:0292846,-8.4,C(=C\c(cc1OC)cc(c1OC)OC)(/C2=O)\C(c3ccccc3)=NO2,0.0
77197,CO-ADD:0292800,-8.4,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCC2)C(=O)N(CC4)CCN4Cc5ccccc5,0.0
77198,CO-ADD:0293127,-8.4,N(\C(=C/c(cc1)ccc1OC(c2ccccc2)=O)\C(O3)=O)=C3c4cccc(C)c4,0.0
77199,CO-ADD:0293938,-8.4,C(C(=O)c1ccc(cc1)Br)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCO)=O,0.0
77200,CO-ADD:0294902,-8.41,C1(C)(C(NN)=O)CC1(Br)Br,0.0
77201,CO-ADD:0295920,-8.41,c(c1c2ccccc2)(C3c4cccc(c4)OC(=O)N(CC5)CCO5)c([nH]n1)OC(N)=C3C#N,0.0
77202,CO-ADD:0295759,-8.41,c1(c(C)c(sc1NC(COc(cc2)ccc2CCC)=O)C)C(=O)OC(C)C,0.0
77203,CO-ADD:0292784,-8.41,n12c(S\C(=C/c3ccccc3Cl)\C1=O)nnc2c(cc4)ccc4C(C)(C)C,0.0
77204,CO-ADD:0293866,-8.41,c1(cc(ccc1SC2CCCCC2)C(=O)Nc3ccccc3C(F)(F)F)[N+](=O)[O-],0.0
77205,CO-ADD:0294134,-8.41,C(=C\c(cc1)ccc1OCc2ccccc2)/C(=O)c(ccc(c34)OCO3)c4,0.0
77206,CO-ADD:0295908,-8.41,c1(OC(N)=C(C2c3ccccc3OCC)C#N)c2c(n[nH]1)CCC,0.0
77207,CO-ADD:0296118,-8.41,[N+](=O)([O-])c1ccc(cc1SCCOc2nonc2c3ccccc3)N4CCCCC4,0.0
77208,CO-ADD:0289329,-8.41,n1c(CCNC)noc1COc2cc(ccc2C)C.Cl,0.0
77209,CO-ADD:0288894,-8.41,c(n1CCC)(nc([N+](=O)[O-])c1C)C2CCN(C(=O)C(F)(F)F)CC2,0.0
77210,CO-ADD:0288436,-8.42,c1(C(CCN2)C2)ncc(C)n1Cc(ccc3F)cc3.Cl.Cl,0.0
77211,CO-ADD:0291203,-8.42,[N+](=O)([O-])c1ccc(c(NC)c1)N\C=C/C(=O)c2cccs2,0.0
77212,CO-ADD:0290963,-8.42,C1(=Cc(cccc2OC)c2OC1=O)C(=O)Nc3cccc(C(=O)c(c4C5=O)cccc4)c35,0.0
77213,CO-ADD:0285781,-8.42,c1(c2c(sc1NC(=O)C(C)Oc3cccc(Cl)c3)CCCC2)C(=O)Nc4cccc(cccc5)c45,0.0
77214,CO-ADD:0285053,-8.42,C(=C\NNC(=O)c(cc1)ccc1[N+](=O)[O-])(/C(C)=O)\C(OCC)=O,0.0
77215,CO-ADD:0285077,-8.42,N1(c2cccc(Cl)c2C)C(=O)C3C(C(\C(=C(/C4)\CCCC4)\C35)C=C5)C1=O,0.0
77216,CO-ADD:0258847,-8.42,c1(cc(ccc1N(CC2)CCN2c3ccccc3OC)C(O)=O)[N+](=O)[O-],0.0
77217,CO-ADD:0278292,-8.42,N12C(S\C(=C\c3cccc(Br)c3)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
77218,CO-ADD:0257648,-8.42,N1(c2ccc(cc2)Sc(cc3)ccc3[N+](=O)[O-])C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5c(C)cc(cc5C)C,0.0
77219,CO-ADD:0257963,-8.43,N1\C(=N/N=C(\C)/CCCCCC)\SC(CC(O)=O)C1=O,0.0
77220,CO-ADD:0257987,-8.43,c1(SCC(OCC(=O)Nc2cccc(cccc3)c23)=O)sc(c4n1)cccc4,0.0
77221,CO-ADD:0257605,-8.43,N1(C(=O)CCC1C(=O)Nc(cc2)ccc2c3sc4c(ccc(C)c4)n3)C(=O)OCc5ccccc5,0.0
77222,CO-ADD:0283652,-8.43,S(=O)(=O)(Nc(cccc1C(O)=O)c1)c(ccc(c2C(N)=O)C)c2,0.0
77223,CO-ADD:0259733,-8.43,n1(\N=C\c(cc2)ccc2SC)nnnc1N,0.0
77224,CO-ADD:0259622,-8.43,c1(nc(C)cc2O)c2c(nn1c3ccccc3)C,0.0
77225,CO-ADD:0287483,-8.43,c1(nonc1N)\C(\N)=N\OC(=O)c2ccccc2F,0.0
77226,CO-ADD:0287597,-8.43,C(C(OCC)=O)(C(CC)N1)=C(c2ccccc2)NC1=S,0.0
77227,CO-ADD:0291367,-8.43,S(=O)(=O)(N1CCCCC1)c2c(OCC)ccc(OCC)c2,0.0
77228,CO-ADD:0286188,-8.43,C(C#N)(C(c1ccccc1C)C2C(OC)=O)=C(SCC(N)=O)NC2=O,0.0
77229,CO-ADD:0287735,-8.43,[n+]1(cnn(CC(=O)Nc(cc(cc2NC(=O)Cn(nc[n+]3[N-][N+](=O)[O-])c3)C(F)(F)F)c2Cl)c1)[N-][N+](=O)[O-],0.0
77230,CO-ADD:0289135,-8.43,C(OC)(=O)C1(CCCN1)CC,0.0
77231,CO-ADD:0299150,-8.44,n1(C)cnnc1SCC(=O)Nc2ccc(cc2C(F)(F)F)Br,0.0
77232,CO-ADD:0285424,-8.44,C1(c(cccc2)c2C3(c4ccccc4C)c5ccccc5C)(S3)N(c6cccc(Cl)c6)N=C(C(C)=O)S1,0.0
77233,CO-ADD:0285428,-8.44,N1(C(CC)=O)C(c2ccccc2)C(C3=N1)COC(C)(C)C3,0.0
77234,CO-ADD:0299219,-8.44,c1(OC(N)=C(C2c3cccc(cccc4)c34)C#N)c2c(n[nH]1)COC,0.0
77235,CO-ADD:0299659,-8.44,N(CC1)(CCN1CC(=O)Nc(cc2)ccc2F)c3ccccc3C,0.0
77236,CO-ADD:0290649,-8.44,C(=O)(N\N=C(/CC1(C)C)\CC(N1)(C)C)C(=O)N\N=C(\CC2(C)C)/CC(N2)(C)C,0.0
77237,CO-ADD:0286354,-8.44,c1(C(=O)NNC(=O)c2ccc(cc2)CSc3ncccn3)nn(cc1Br)C,0.0
77238,CO-ADD:0287982,-8.44,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccc(C)c4,0.0
77239,CO-ADD:0286992,-8.44,c(c1C)(c(Cl)nc(C)c1[N+](=O)[O-])C(=O)NC(=O)Nc(cccc2C(F)(F)F)c2,0.0
77240,CO-ADD:0299570,-8.44,C(/c(cccc1)c1CC2(C)C)(=N/Nc(cc3)ccc3[N+](=O)[O-])\N2,0.0
77241,CO-ADD:0292062,-8.44,C(/S\C(\C1=O)=C(/C=Cc(c23)cccc2)\N3CC)(\N1Cc4ccccc4)=C(/SC(N5CCC)=S)\C5=O,0.0
77242,CO-ADD:0299946,-8.45,C(C#N)(C(c1ccccc1)CC(N2)=O)=C2SCC(=O)Nc3ccc(cc3C)C,0.0
77243,CO-ADD:0294741,-8.45,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Br)=C(O)C(N2CCN(C)C)=O,0.0
77244,CO-ADD:0292580,-8.45,C12(Nc(cccc3)c3C(=O)N1c4ccccc4)C(=O)Nc(ccc(OC)c5)c25,0.0
77245,CO-ADD:0292543,-8.45,N(Cc1ccccc1)(CCC(N2)=S)c(cccc3)c23,0.0
77246,CO-ADD:0296170,-8.45,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)c4ccccc4C(=O)N5CCC(CC5)C)n1,0.0
77247,CO-ADD:0294602,-8.45,c1(c2ccc(cc2)OC(=O)c3cccc(I)c3)sc4c(ccc(C)c4)n1,0.0
77248,CO-ADD:0295087,-8.45,c1(sc(cn1)CN(CC2)CCN2C(c3ccccc3)c4ccccc4)NC(C)=O,0.0
77249,CO-ADD:0294116,-8.45,C1(OCC(CO1)(C)c2ccccc2)(c3c(N4CN(CC5)CCC5C(OCC)=O)cccc3)C4=O,0.0
77250,CO-ADD:0295574,-8.46,C1(C)(C(C)(C)OC2=O)N2CCc(c([nH]3)C)c(c3c(CC)cc4)c14,0.0
77251,CO-ADD:0292634,-8.46,n1(cccc1C(O)=O)c2cccc(c2)[N+](=O)[O-],0.0
77252,CO-ADD:0294521,-8.46,[N+](=O)([O-])c1ccc(c2c1cccn2)N(CC3)CCN3C(=O)c4ccccc4F,0.0
77253,CO-ADD:0294522,-8.46,C1(=C(C)N(N(c2ccccc2)C1=O)C)N3C(=O)C(SC34c5c(NC4=O)cccc5)C,0.0
77254,CO-ADD:0293890,-8.46,n1c(c(cc2)ccc2[N+](=O)[O-])csc1NCCc(ccc(c3OC)OC)c3,0.0
77255,CO-ADD:0292905,-8.46,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Oc(cccc4C(F)(F)F)c4)cc5[N+](=O)[O-])c5)c1Cl,0.0
77256,CO-ADD:0293119,-8.46,C(=COc1c2cc(cc1Cl)Cl)(C2=O)C3Nc4c(NC(CC(C)(C)CC5=O)=C35)cccc4,0.0
77257,CO-ADD:0293609,-8.46,n(C(C)C(=C1C)C)(c2CCCCCCC)c1cc3c2c(C)c(n3)C(OCC)=O,0.0
77258,CO-ADD:0293443,-8.46,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)C#N)c5ccccc5,0.0
77259,CO-ADD:0295106,-8.46,C(c1ccccc1[N+](=O)[O-])(=Nc(cccc2)c2C3(c4ccccc4)c5ccccc5)O3,0.0
77260,CO-ADD:0292430,-8.46,c1(C(=O)Nc2ccccc2C)c3c(sc1NC(=O)c4ccc(cc4)C)CC(C)CC3,0.0
77261,CO-ADD:0292010,-8.47,C(=C/c(cc(n1c(cc2)ccc2[N+](=O)[O-])C)c1C)(/C(=O)N3c4ccccc4)\C(=O)N(C3=S)c5ccccc5,0.0
77262,CO-ADD:0292074,-8.47,C(/SC(N1CC=C)=O)(\C1=O)=C(/Sc(c23)cccc2)\N3C,0.0
77263,CO-ADD:0291779,-8.47,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc(n4c5ccc(c(C)c5)I)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
77264,CO-ADD:0289252,-8.47,N1CCC(CCOc(ccc2C)cc2)C1.Cl,0.0
77265,CO-ADD:0285093,-8.47,N1(NC(c2ccccc2)=O)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
77266,CO-ADD:0285389,-8.47,c12c(c(n[nH]1)c3ccc(cc3)C)C(N(c4ccccc4)C2=O)c5ccc(cc5)F,0.0
77267,CO-ADD:0285750,-8.47,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
77268,CO-ADD:0285758,-8.47,c12c(ccc3c1OC(=O)C=C3C)O\C(=N/Nc(cc4)ccc4N(CC)CC)\C2=O,0.0
77269,CO-ADD:0285326,-8.47,C1(SCc2c(cccc2Cl)Cl)=NC(C)(C)C=C(C)N1c3ccccc3OC,0.0
77270,CO-ADD:0285094,-8.48,N1(Cc(cccn2)c2)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
77271,CO-ADD:0283061,-8.48,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(Cc2ccccc2)CC(=O)Nc(cccc3C(F)(F)F)c3,0.0
77272,CO-ADD:0257957,-8.48,c1(C#N)c(c2ccccc2)cc(nc1SCC3(CCCCC3SC)O)c4ccccc4,0.0
77273,CO-ADD:0257781,-8.48,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c3ccccc3OC)\N2,0.0
77274,CO-ADD:0258021,-8.48,c1(cc(Br)ccc1OC(=O)c2ccccc2Cl)C(=S)N3CCCCC3,0.0
77275,CO-ADD:0259296,-8.48,s1c(CSc2sc(c3n2)cccc3)nnc1NCC,0.0
77276,CO-ADD:0283240,-8.48,C(C(OCC)=O)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(C)c4,0.0
77277,CO-ADD:0285893,-8.48,c1(c2ccc(cc2)NCc(ccc(c3OC)OCC(=O)N(CC4)CCO4)c3)sc(c5n1)cccc5,0.0
77278,CO-ADD:0289386,-8.48,C(=O)(OC(C)(C)C)N(C)C\C(\N)=N\O,0.0
77279,CO-ADD:0289291,-8.48,n1conc1CCN.Cl,0.0
77280,CO-ADD:0291688,-8.49,c1(NC(C)=O)sc2c(ccc(Br)c2OCC(O)CN(CC)CC)c1C(OCC)=O,0.0
77281,CO-ADD:0299669,-8.49,S(C)(=O)(=O)N(c1ccccc1C)CC(=O)N2CCc(c3C2)cccc3,0.0
77282,CO-ADD:0292138,-8.49,n1(c2ccc(c(C)c2)C)nc(c3n1)ccc(NC(=O)c4cccc(OCC)c4)c3,0.0
77283,CO-ADD:0287909,-8.49,C(C(OCC)=O)(Nn(cnn1)c1)(C(F)(F)F)NC(c2ccccc2)=O,0.0
77284,CO-ADD:0287933,-8.49,N1(NC(=O)c(ccc(c2C3=O)C(N3c4ccc(c(C)c4)C)=O)c2)C(=O)c5c(cccc5)C1=O,0.0
77285,CO-ADD:0299954,-8.49,c1(scc(c2ccc(cc2)OC)n1)\C(=C(\CCCC3)/C3)\C#N,0.0
77286,CO-ADD:0286787,-8.49,S(=O)(=O)(C(C)C(N1c2ccc(cc2)Cl)=O)C1c3ccc(cc3)OC,0.0
77287,CO-ADD:0286587,-8.49,c1(C#N)c(N)nc(c(C)c1c2ccccc2Cl)CC(C)C,0.0
77288,CO-ADD:0286595,-8.49,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c3cccc(Oc4ccccc4)c3,0.0
77289,CO-ADD:0285119,-8.49,C(c1cccc(Br)c1)(NC(Cc2ccccc2)=O)NC(Cc3ccccc3)=O,0.0
77290,CO-ADD:0285081,-8.49,n1(nnc(C(=O)OC(C)C)c1CSC2=NCCS2)c3nonc3N,0.0
77291,CO-ADD:0295040,-8.49,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)Sc3c(ccc(CC(C)C)n3)C#N,0.0
77292,CO-ADD:0295480,-8.49,c1(nc2c(n3)NC(OC(C)=O)C(OC(C)=O)N2)c3non1,0.0
77293,CO-ADD:0295041,-8.5,n(c(F)c1F)c(F)c(c1NCCCNc(c(F)c2F)c(F)c(n2)F)F,0.0
77294,CO-ADD:0293425,-8.5,C(COC(CCCC(=O)Nc1cccc(C)c1)=O)#C,0.0
77295,CO-ADD:0294294,-8.5,C1(=NCCC2)N2c(c3N1CC(O)c4ccc(c(OC)c4)OC)cccc3.Cl,0.0
77296,CO-ADD:0293711,-8.5,N1(c2ccc(cc2)OC(Cl)(F)F)C(=O)CC(N(CC3)CCN3c4ncccn4)C1=O,0.0
77297,CO-ADD:0295892,-8.5,c1(C2c3ccccc3F)c([nH]nc1c(cccc4[N+](=O)[O-])c4)OC(N)=C2C#N,0.0
77298,CO-ADD:0295765,-8.5,c1(C(OC)=O)cc(ccc1N(CC2)CCO2)[N+](=O)[O-],0.0
77299,CO-ADD:0294867,-8.5,C(=C\c1ccc(Br)s1)(/C(=O)NC(N2C)=O)\C2=O,0.0
77300,CO-ADD:0295909,-8.5,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccccc3OCC,0.0
77301,CO-ADD:0292981,-8.51,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(cc4OC)cc(c4O)OC,0.0
77302,CO-ADD:0292743,-8.51,N1(C(C)=O)c2c(cccc2)N(C(C)CC1=O)C(C)=O,0.0
77303,CO-ADD:0295083,-8.51,c1(c2c(sc1NC(=O)c3c(Cl)ccc(c3)[N+](=O)[O-])CCCCC2)C(=O)Nc4ccccc4OCC,0.0
77304,CO-ADD:0294623,-8.51,c(C(OCC)=O)(c(C)nc1NC(=O)c(cc2)ccc2[N+](=O)[O-])s1,0.0
77305,CO-ADD:0293093,-8.51,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCC2)C(=O)N(CC4)CCO4,0.0
77306,CO-ADD:0294423,-8.51,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3nc(C(=O)Nc4ccccc4C(F)(F)F)c1Cl,0.0
77307,CO-ADD:0292880,-8.51,c1(c(I)cc(c2c1)OCO2)[N+](=O)[O-],0.0
77308,CO-ADD:0292999,-8.51,C(=O)(Nc1ccccc1OCCCC)c(cc2OC)cc(c2OC)OC,0.0
77309,CO-ADD:0288505,-8.51,c1(c2ccccc2)ncc(C)n1C(C3)CCN3,0.0
77310,CO-ADD:0289309,-8.51,n1c(OCCOC)ccc(C2)c1CCN2.Cl,0.0
77311,CO-ADD:0289316,-8.51,n1(c2ccccc2)cnnc1C3CCCCN3.Cl.Cl,0.0
77312,CO-ADD:0288849,-8.51,C(CC(=O)NCC#C)NC(OC(C)(C)C)=O,0.0
77313,CO-ADD:0288875,-8.52,c1(c2oc([N+](=O)[O-])cc2)n(Cc(c3)cccc3)c(cn1)C,0.0
77314,CO-ADD:0288836,-8.52,c(c(Cl)c1)cc(c1)CC(=O)NCC#C,0.0
77315,CO-ADD:0291331,-8.52,c1(C2=O)c(sc3c1CCC(C3)C(C)(C)C)N=C(SCC(=O)N(CC)CC)N2c4ccccc4,0.0
77316,CO-ADD:0291332,-8.52,n1(C(=O)CSc2sc3c(ccc(c3)NC(=O)C(C)Sc4nnc(C)s4)n2)c5c(c(CCCC6)c16)cccc5,0.0
77317,CO-ADD:0285776,-8.52,N(C(=O)\C(\S1)=C/c2cccc(OC)c2O)=C1N3CCCCC3,0.0
77318,CO-ADD:0285408,-8.52,c12c(c(n[nH]1)c3ccccc3)C(N(c4ccc(cc4)Cl)C2=O)c5ccc(cc5)OC,0.0
77319,CO-ADD:0290817,-8.52,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCc(cc3)ccc3F)C2c4cccs4,0.0
77320,CO-ADD:0290867,-8.52,N(c1c(cccc1)NCC2C)=C2N(CC3)CCO3,0.0
77321,CO-ADD:0283662,-8.52,c1(C#N)c2c(sc1\N=C\c3cc(c4s3)cccc4)CC(C)CC2,0.0
77322,CO-ADD:0278305,-8.52,S(=O)(=O)(N1CCCCCC1)c(ccc(c2C(=O)Nc3ccccc3O)Cl)c2,0.0
77323,CO-ADD:0257974,-8.53,C1(Br)(C(OC)=O)C2CCCC1C2(OC)c3ccccc3,0.0
77324,CO-ADD:0278850,-8.53,c1(nnc(C)s1)S\C(\c2cccc(Br)c2)=N\c(cc3)ccc3OC,0.0
77325,CO-ADD:0283707,-8.53,C1(=S)N(c2ccccc2)C(=O)CC(=O)N1c3ccccc3,0.0
77326,CO-ADD:0259351,-8.53,c12c(c3c(cccc3)OC1=O)nc(c4ccccc4)nc2NC(C)=O,0.0
77327,CO-ADD:0284455,-8.53,C12(O)C(O)(c3c(cccc3)C1=O)NC(C)=C2C(=O)OCC4CCCO4,0.0
77328,CO-ADD:0284657,-8.53,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cccc3C(F)(F)F)c3)\N2CC(OCC)=O)N(CC4)CCO4.Br,0.0
77329,CO-ADD:0277716,-8.53,n1c(SC)[nH]nc1c2ccccc2,0.0
77330,CO-ADD:0283175,-8.53,N1(C=O)c2c([C@]([H])(CN(C)CC3)[C@@]13[H])cc(C)cc2.Cl,0.0
77331,CO-ADD:0287862,-8.53,c(C(c1ccccc1)=O)(c2)c(O)c(c(OC(=O)C=C3C)c23)C,0.0
77332,CO-ADD:0287176,-8.53,C(/C(=O)c1c2cccc1)(\C2=O)=C(/Sc(c34)cccc3)\N4CC,0.0
77333,CO-ADD:0299416,-8.53,C(=S)(NC(c1ccccc1Cl)C=C2c3ccccc3)N2,0.0
77334,CO-ADD:0299424,-8.53,N1(c2ccc(cc2C)C)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
77335,CO-ADD:0299951,-8.53,C(C#N)(C(c1ccccc1OCC)C(C#N)C(N2)=O)=C2SC,0.0
77336,CO-ADD:0287903,-8.53,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccccc1Cl)Nc2sc(c3c2C(N)=O)CCCC3,0.0
77337,CO-ADD:0287240,-8.54,N1(C(OCCCC)=O)c(cc2)c(OC1=O)cc2S(=O)(=O)Nc(cc3)ccc3Cl,0.0
77338,CO-ADD:0287344,-8.54,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5ccc(c(OC)c5)OCc6ccccc6)C7=C2CCCC7=O)C#N,0.0
77339,CO-ADD:0287665,-8.54,C(C(=O)c1ccc(cc1)Cl)(C2c3ccccc3)=C(O)C(N2c(cc4)ccc4S(=O)(=O)Nc5sccn5)=O,0.0
77340,CO-ADD:0287226,-8.54,c1(C(F)(F)F)nnc(NC(CSc2ccccc2)=O)s1,0.0
77341,CO-ADD:0287978,-8.54,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccccc5Cl)cccc4,0.0
77342,CO-ADD:0286264,-8.54,C(=N/c(cc1)ccc1C(OC)=O)(/SC(C(O)=O)CC2=O)\N2C,0.0
77343,CO-ADD:0286563,-8.54,S1(=O)(=O)OC(C)=Cc(cc(OC)c(OC)c2)c12,0.0
77344,CO-ADD:0291045,-8.54,S(=O)(=O)(N1CCCCC1C)c2c(OCC)ccc(OCC)c2,0.0
77345,CO-ADD:0291599,-8.54,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(=O)NC(C)c4ccccc4)c1Cl,0.0
77346,CO-ADD:0288635,-8.54,C(=O)(OC(C)(C)C)N(CCC1)CC1Cn2c(C3CC3)ncc2C,0.0
77347,CO-ADD:0287295,-8.54,S(C1=O)C(SCC(OC)=O)=C(S1)SCC#N,0.0
77348,CO-ADD:0295934,-8.54,c(c1c2ccccc2)(C3c4ccc(cc4)OC(=O)c5ccco5)c([nH]n1)OC(N)=C3C#N,0.0
77349,CO-ADD:0295983,-8.55,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1cccc(F)c1)C2C(C)=NN(c3ccccc3)C2=O,0.0
77350,CO-ADD:0294400,-8.55,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)Nc(cc4)ccc4Cl)c1Cl,0.0
77351,CO-ADD:0293655,-8.55,c1(ccccc1C)NN.Cl,0.0
77352,CO-ADD:0294778,-8.55,c1(c(C)oc(C(C)(C)C)c1)C(=O)Nc2cccc(cccc3)c23,0.0
77353,CO-ADD:0294393,-8.55,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc(cc4)ccc4C)c1Cl,0.0
77354,CO-ADD:0293138,-8.55,N1(C2c3cccc(OC)c3)C(S\C(=C\c(ccc(c4OC)O)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
77355,CO-ADD:0294763,-8.55,C1(C2c(cc3)ccc3N(CC)CC)=C(CC(c4ccco4)CC1=O)Nc(c5N2C(CC)=O)cccc5,0.0
77356,CO-ADD:0294304,-8.55,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCN3C(c4ccc(cc4)F)c5ccc(cc5)F)C1=O,0.0
77357,CO-ADD:0293634,-8.55,C(=N/NC(CNc1ccccc1)=O)(/c2c(N3CC(O)=O)cccc2)\C3=O,0.0
77358,CO-ADD:0294033,-8.55,c(\C=C(\C#N)/C#N)(c1C)c(C)c(c(C)c1[N+](=O)[O-])[N+](=O)[O-],0.0
77359,CO-ADD:0294017,-8.56,c1(CN(C)C)c(O)ccc(CN(C)C)n1.Cl.Cl,0.0
77360,CO-ADD:0293310,-8.56,c1(C#N)c2c(sc1N)CCC2,0.0
77361,CO-ADD:0295197,-8.56,c1(N2)n(CC(c3ccccc3)=N2)c(c4n1)ccc(cccc5)c45,0.0
77362,CO-ADD:0294986,-8.56,n(c1c(CCCC1)cc2C#N)c2SCC(=O)Nc3ccccc3F,0.0
77363,CO-ADD:0292694,-8.56,s1c(N)nnc1SCc(cc2)ccc2C#N,0.0
77364,CO-ADD:0292470,-8.56,N(C(=O)C1CC1)c2c(C)ccc3c2ccc(n3)C,0.0
77365,CO-ADD:0292940,-8.56,c1([N+](=O)[O-])nn(cn1)\C(\C=[N+](/C)\C)=C/N(C)C,0.0
77366,CO-ADD:0288457,-8.56,n1(CC2CC2)c(C)cnc1C(C3)CN3.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
77367,CO-ADD:0289240,-8.56,C1(CCN2)(CC2)CC(CCO1)CC(NC)=O.Cl,0.0
77368,CO-ADD:0288865,-8.56,c1(ccncc1)c(n2CCC)ncc2C,0.0
77369,CO-ADD:0288866,-8.56,c1(ccccc1)c(n2CCC)ncc2C,0.0
77370,CO-ADD:0288906,-8.56,c1(nc([N+](=O)[O-])cn1Cc2ncc(C)n2Cc3ccccc3)C,0.0
77371,CO-ADD:0299834,-8.57,N1(c2ccccc2)C(=O)NC(\C(=C/c(ccc(c3OC)OC)c3)\C1=O)=O,0.0
77372,CO-ADD:0291222,-8.57,c1(oc2c(ccc(C)c2)n1)c3cc(ccc3Cl)NC(=O)c4ccc(cc4)OC,0.0
77373,CO-ADD:0290525,-8.57,n1(c2cccc(cccc3)c23)nnnc1SC(C)C(=O)Nc(cc4)ccc4OCC,0.0
77374,CO-ADD:0291917,-8.57,n1(CC)c(S)nnc1c2ccccc2,0.0
77375,CO-ADD:0290511,-8.57,C(=S)(Nc1ccccc1)NNC(COc(cccc2N(C)C)c2)=O,0.0
77376,CO-ADD:0290743,-8.57,S(=O)(=O)(c1ccc(cc1C)I)N(CC2)CCN2c3ccc(cc3)F,0.0
77377,CO-ADD:0292047,-8.57,s1c(c(ccc(c23)OCO2)c3)nnc1NC(=O)c4ccco4,0.0
77378,CO-ADD:0258530,-8.57,c1(N\N=C\c(cc2Br)cc(c2O)Br)nncn1N.Cl.Cl,0.0
77379,CO-ADD:0278673,-8.57,s1c(c(cc2)ccc2[N+](=O)[O-])nnc1NC(=O)C34CC(CC5C3)CC(C5)C4,0.0
77380,CO-ADD:0278674,-8.57,n12c(S\C(=C/c(ccc(c3[N+](=O)[O-])N(CC4)CCO4)c3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
77381,CO-ADD:0259778,-8.57,C(=C/c(cn(n1)c2ccccc2)c1c3ccc(cc3)F)(/C4=O)\C(C(F)(F)F)=NN4c5ccccc5,0.0
77382,CO-ADD:0284625,-8.57,c1(sc(c23)nc(c(C)c2C)C)c3N=C(C)OC1=O,0.0
77383,CO-ADD:0283834,-8.57,C(=O)(NC(=S)NC1=O)C1C(c(cccc2[N+](=O)[O-])c2)C3C(=O)NC(NC3=O)=S,0.0
77384,CO-ADD:0283153,-8.58,C1(C(C=C)Oc(c2N1)ccc(Cl)c2)(C=C3C(C)(C)C)C=C(C3=O)C(C)(C)C,0.0
77385,CO-ADD:0258073,-8.58,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3Br)cc(c3OCc(cc4)ccc4C)Br,0.0
77386,CO-ADD:0283151,-8.58,n1(c(C)nn2)c2ccc(cccc3)c13,0.0
77387,CO-ADD:0283071,-8.58,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c3cccc(c3)OCc4ccccc4)=O,0.0
77388,CO-ADD:0299870,-8.58,n12c(cc(c3ccc(cc3)C)n1)nc(cc2C(F)(F)F)c4ccc(cc4)C,0.0
77389,CO-ADD:0289105,-8.58,C(=O)(OC(C)(C)C)N1CCC\C(\C1)=N/NC(=O)OC(C)(C)C,0.0
77390,CO-ADD:0286832,-8.58,C1(C(=O)Nc2cccc(Br)c2)C3C1C(CC34)CC4,0.0
77391,CO-ADD:0286793,-8.59,C1(C(OCCOC)=O)=C(C)NC(=O)CC1c2ccccc2Br,0.0
77392,CO-ADD:0286561,-8.59,C(=C(\Cl)/Cl)(/c1c(cc(OC)c(OC)c1)C=C2c3ccc(cc3)OCC)\O2,0.0
77393,CO-ADD:0286577,-8.59,c12c(ccc(C(N3CC(C)C)=O)c1N3)C(=O)c(c4C2=O)cccc4,0.0
77394,CO-ADD:0299929,-8.59,C(=C(C)NC(=C1C#N)SCC(=O)Nc(ccc(c2C)C)c2)(C(=O)Nc3ccccc3OC)C1c4ccccc4,0.0
77395,CO-ADD:0286946,-8.59,c12c(ccc3c1OC(=O)C=C3C)O\C(=N/Nc(cc4)ccc4C)\C2=O,0.0
77396,CO-ADD:0287957,-8.59,C(c1ccc(cc1)OC)(CC(c2ccco2)NC3=S)(c4ccc(cc4O)O)N3,0.0
77397,CO-ADD:0299227,-8.59,N1(c2ccc(cc2)OCCC)C(=O)CC(N(CCc(ccc(c3OC)OC)c3)C(=O)Cc4ccccc4)C1=O,0.0
77398,CO-ADD:0290753,-8.59,S(=O)(=O)(c1ccc(cc1)C)Oc2ccc(cc2C(OCC)=O)[N+](=O)[O-],0.0
77399,CO-ADD:0299181,-8.59,[nH]1c(CC)nnc1SCC(=O)Nc2nncs2,0.0
77400,CO-ADD:0299701,-8.59,N1(O)C(C)(C)C\C(\CC1(C)C)=N/OC(c(cc2)ccn2)=O,0.0
77401,CO-ADD:0299183,-8.59,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)NCCCCCCC,0.0
77402,CO-ADD:0287615,-8.6,c12c(ccc3c1OC(=O)C=C3C)O\C(=C/c(cccc4[N+](=O)[O-])c4)\C2=O,0.0
77403,CO-ADD:0287335,-8.6,C(C(C)=O)(C1c2ccc(cc2)OC)=C(O)C(N1c(cccn3)c3)=O,0.0
77404,CO-ADD:0299908,-8.6,C1(c(cccc2)c2C3(c4ccccc4C)c5ccccc5C)(S3)N(c6ccc(cc6)Br)N=C(C(c7ccccc7)=O)S1,0.0
77405,CO-ADD:0287337,-8.6,C(C(c1ccccc1)=O)(C2c3ccc(cc3)F)=C(O)C(N2CC4CCCO4)=O,0.0
77406,CO-ADD:0288602,-8.6,C(OC(C)(C)C)(NCCn1c(C)cnc1c2cccnc2)=O,0.0
77407,CO-ADD:0293975,-8.6,C(/C(=O)C(=O)OC(C)C)=C(\c1ccccc1)/Nc(cc2)ccc2OC,0.0
77408,CO-ADD:0293339,-8.6,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(=O)Nc2cccc(Cl)c2)C1c3ccc(cc3)Cl,0.0
77409,CO-ADD:0294478,-8.6,N1(c2ccccc2Cl)C(=O)C(CC1=O)S\C(=N/C)\Nc(cc3)ccc3OC(F)(F)Cl,0.0
77410,CO-ADD:0292337,-8.6,C12=C(c3c(cccc3)CC1(C)C)NC(N(C)C2=O)=S,0.0
77411,CO-ADD:0293982,-8.6,N1(CC(=O)Nc2ccc(cc2C)C)C(=O)c3c(C(C)=N1)cccc3,0.0
77412,CO-ADD:0292306,-8.6,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c(ccc(c3O)O)c3)\C1=O)=O,0.0
77413,CO-ADD:0294491,-8.6,C(C(c1ccccc1)=O)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2CCN(C)C)=O,0.0
77414,CO-ADD:0293334,-8.6,C(C(=O)OC(C)(C)C)(=C(C)NC(=C1C#N)SCC(=O)Nc2ccccc2C)C1c3ccc(cc3)Cl,0.0
77415,CO-ADD:0294487,-8.61,c1(ccc(c(cccc2)c12)O)NC(C)=O,0.0
77416,CO-ADD:0292263,-8.61,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OC)cc(c5OC(C)=O)Br,0.0
77417,CO-ADD:0292357,-8.61,c1(NC(=O)CN(CC2)CCO2)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
77418,CO-ADD:0294842,-8.61,c1(O2)c(cc(OC(=O)\C=C\c(cc3)ccc3OC)cc1c4ccc(cc4)Br)SC2=S,0.0
77419,CO-ADD:0292358,-8.61,N(C(C)C1)(C(=O)c2ccc(cc2)Cl)c3c(C1N(c4ccccc4)C(=O)c5ccc(cc5Cl)Cl)cccc3,0.0
77420,CO-ADD:0294779,-8.61,c1(cn[nH]c1C(=O)Nc(cccc2[N+](=O)[O-])c2)[N+](=O)[O-],0.0
77421,CO-ADD:0294610,-8.61,c1([nH]c(c2n1)cccc2)c3cc(ccc3Cl)NC(=O)c4cccc(F)c4,0.0
77422,CO-ADD:0292534,-8.61,N1(C)c2c(cccc2)N(CC(C)C1=O)C.Cl,0.0
77423,CO-ADD:0293200,-8.61,c1(c(C)nc2n1ccs2)c3csc(Nc(cc4)ccc4C(O)=O)n3.Br,0.0
77424,CO-ADD:0295972,-8.61,c(C1)(c2c([nH]3)cccc2)c3CCN1.Cl,0.0
77425,CO-ADD:0288852,-8.61,C(c1c[nH]c(cccc2)c12)(NCC#C)=O,0.0
77426,CO-ADD:0289377,-8.61,C(=O)(OC(C)(C)C)N(CC1)CCC1(C)C#N,0.0
77427,CO-ADD:0289242,-8.61,C(O)(=O)c1ccc(cc1)OC(CCN2)CC2.Cl,0.0
77428,CO-ADD:0289235,-8.61,C(CC1(C#N)CC)CNC1.Cl,0.0
77429,CO-ADD:0300090,-8.61,c1(SC)nc(c2n1C3CCCCC3)cccc2,0.0
77430,CO-ADD:0285173,-8.62,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c(ccc(c2OCC)OCc(cc3)ccc3Cl)c2,0.0
77431,CO-ADD:0290722,-8.62,S(=O)(=O)(c1ccc(c2c1)cccc2)Oc3c(Cl)cc(c(cccn4)c34)Cl,0.0
77432,CO-ADD:0290516,-8.62,c1(c(Nc2ccccc2C)nc(c3n1)non3)n4c(C)cc(C)n4,0.0
77433,CO-ADD:0291908,-8.62,C(=O)(c1c(cccc1OC)OC)N2CCCCC2C,0.0
77434,CO-ADD:0292052,-8.62,n(c(c1ccc(c(C)c1)C)c2)c3c(c2C(=O)Nc4cccc(C)c4)cccc3Cl,0.0
77435,CO-ADD:0292076,-8.62,N1(CCCC)C(=O)\C(\SC1=S)=C\C=C(\Sc(c23)cccc2)/N3CC,0.0
77436,CO-ADD:0257376,-8.62,N1\C(=N\N=C\c2cc(Br)ccc2O)\SCC1=O,0.0
77437,CO-ADD:0283203,-8.62,C(/S\C(\C1=O)=C(\c2c(N3)ccc(Br)c2)/C3=O)(=N/S(=O)(=O)c4ccc(cc4)C)\N1C,0.0
77438,CO-ADD:0258662,-8.62,c1(c2ccccc2Cl)nnc(SCC(=O)c(ccc3c4Cc(c35)cccc5)c4)n1c6ccccc6,0.0
77439,CO-ADD:0257218,-8.62,C(=O)(n1cccn1)c2ccccc2I,0.0
77440,CO-ADD:0258831,-8.62,C1(\N=C\c(cc2OC)cc(c2OC(C)=O)OC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
77441,CO-ADD:0258904,-8.62,n1(C)cnnc1SCc(cc2)ccc2C(O)=O,0.0
77442,CO-ADD:0278348,-8.62,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc(OC)c(c4)O)c4Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
77443,CO-ADD:0279117,-8.63,C(=O)(c1ccc(cc1)C)Nc(ccc(c2C)O)c2,0.0
77444,CO-ADD:0278045,-8.63,C(c1ccccc1)(=O)Nc2cccc(c2)NC(C)=O,0.0
77445,CO-ADD:0277685,-8.63,C(/c(cccc1C)c1CC2(C)C)(\N2)=C\C(N)=O,0.0
77446,CO-ADD:0285409,-8.63,N12C(S\C(=C\c(cc3OC)cc(c3OC)OC)\C1=O)=NC(C)=C(C(C)=O)C2c4c(OC)ccc(cccc5)c45,0.0
77447,CO-ADD:0285770,-8.63,c1(N(CC2)CCN2C(=O)c3ccccc3C)sc(c4n1)cccc4,0.0
77448,CO-ADD:0285370,-8.63,C12(CC(C)(C)NC(=O)N1)CC(C)(C)NC(=O)N2,0.0
77449,CO-ADD:0291967,-8.63,c1(c(Cl)c2c(cccc2)s1)C(=O)N(c(cc(C)cc3)c3C(=C45)C(SS4)=S)C5(C)C,0.0
77450,CO-ADD:0285508,-8.63,c1(N(CC2)CCN2C(CCc3ccccc3)=O)sc(c4n1)cccc4,0.0
77451,CO-ADD:0285036,-8.63,c12c(c(nn1c3ccccc3)C)cc(C(=O)Nc4cccc(C)c4)s2,0.0
77452,CO-ADD:0286562,-8.63,c(cc(OC)c(c1)OC)(C2)c1C(O)Cc3c2cc(OC)c(c3)OC,0.0
77453,CO-ADD:0299482,-8.64,N1(c2ccccc2Cl)C(c3ccc(cc3)Br)CC(c4ccc(cc4)Cl)=N1,0.0
77454,CO-ADD:0292173,-8.64,n1(c2ccccc2)nnnc1SCC(=O)Nc3ccccc3,0.0
77455,CO-ADD:0292118,-8.64,n1c2c(oc1c3cccc(Cl)c3)ccc(c2)NC(=O)c4cccc(Br)c4,0.0
77456,CO-ADD:0291475,-8.64,c1(c2ccc(OC)c1NC(C)=O)sc(n2)C,0.0
77457,CO-ADD:0299639,-8.64,N1(c2ccccc2OC)C(=O)c(c3C1=O)ccc(c4ccccc4[N+](=O)[O-])c3,0.0
77458,CO-ADD:0289018,-8.64,c1(C(=O)Nc(cc2)ccc2C)sc(nn1)CSCC(O)=O,0.0
77459,CO-ADD:0290566,-8.64,N1(CC(C)OC(c2ccc(cc2)OC)O1)C(c3ccccc3)=O,0.0
77460,CO-ADD:0287956,-8.64,N1(CCCl)C(=O)c2c(N=C1O)cccc2,0.0
77461,CO-ADD:0287332,-8.64,C12=C(C(N(c3ccccc3)C1=O)c4ccc(cc4)Br)\C(\C(=O)N2c5ccccc5)=C\c(cc6)ccc6OC,0.0
77462,CO-ADD:0287012,-8.64,c(c1C)([N+](=O)[O-])c(Cl)nc(Cl)c1C(=O)NC(=O)Nc(cc2)ccc2Cl,0.0
77463,CO-ADD:0290451,-8.64,c1([nH]nc(N)n1)C(F)(F)F,0.0
77464,CO-ADD:0286193,-8.65,C(C#N)(C(CC(N1)=O)c2ccc(C)o2)=C1SCC(OCc3ccccc3)=O,0.0
77465,CO-ADD:0291580,-8.65,C(C#N)(C(c1ccc(cc1)F)CC(N2)=O)=C2SCCC,0.0
77466,CO-ADD:0287925,-8.65,C(c1c2cccc1)(=C3)c(c4N(C5CCCCC5)C3=O)c(C2=O)c(cc4)Br,0.0
77467,CO-ADD:0299462,-8.65,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N3CCCC3,0.0
77468,CO-ADD:0291706,-8.65,n1(c2ccc(cc2)OCC)nc(c3n1)ccc(NC(=O)c4ccc(cc4)OC)c3,0.0
77469,CO-ADD:0292451,-8.65,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C/c(cc5)ccc5OC)\C6=O)N36)N(C(=O)N1C)C,0.0
77470,CO-ADD:0295275,-8.65,c1(cc(ccc1N2CCCCCC2)[N+](=O)[O-])C(=O)Nc3cc(OC)cc(cccn4)c34,0.0
77471,CO-ADD:0295649,-8.65,c12c(c3c(CCCC3)s1)c(nc(c4ccc(c(OC)c4)OCC(OCC)=O)n2)O,0.0
77472,CO-ADD:0293040,-8.65,N1(c2ccc(cc2)OC(F)(F)F)C(=O)CC(N(CCCCCCC)C(C)=O)C1=O,0.0
77473,CO-ADD:0295361,-8.65,c1(C2c3ccc(c(Cl)c3)Cl)c([nH]nc1c(cccc4[N+](=O)[O-])c4)OC(N)=C2C#N,0.0
77474,CO-ADD:0292541,-8.65,N1(C)C(C)CC(Nc(ccc(c2)[N+](=O)[O-])c12)=O,0.0
77475,CO-ADD:0294864,-8.65,N1(c2ccc(cc2)C)C(=O)\C(=C\C=C\c3ccco3)\C(NC1=S)=O,0.0
77476,CO-ADD:0295699,-8.66,c1(NC(COc(cc2)ccc2CCC)=O)sc(c3c1C(N)=O)CCC3,0.0
77477,CO-ADD:0294910,-8.66,S(=O)(=O)(Nc(c1)cc(cc1C(F)(F)F)C(F)(F)F)c2cccc(cccc3Cl)c23,0.0
77478,CO-ADD:0294133,-8.66,c1(C2c3ccc(cc3)Cl)c(ncnc1N)Oc(ccc(cccc4)c45)c25,0.0
77479,CO-ADD:0295707,-8.66,C(OCC(F)(F)F)(C(OCC)=O)(C(F)(F)F)NC(=O)Nc1sc(c2c1C(OC)=O)CCCC2,0.0
77480,CO-ADD:0294919,-8.66,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)O,0.0
77481,CO-ADD:0295423,-8.66,C(C(OC)=O)(NC(C)=O)(C(F)(F)F)Nc1sc(c2c1C#N)CCCC2,0.0
77482,CO-ADD:0293030,-8.66,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1cccc(F)c1)Nc2sc(c3c2C(N)=O)CCCC3,0.0
77483,CO-ADD:0294677,-8.66,c1(\C=N\NC(c2ccccc2)=O)c3c([nH]c1C)cccc3,0.0
77484,CO-ADD:0294742,-8.66,C1(=COc(c2C1=O)ccc(Cl)c2)C(=O)c3cccs3,0.0
77485,CO-ADD:0295941,-8.67,c1(OC(N)=C(C2c3sccc3C)C#N)c2c(n[nH]1)CCC,0.0
77486,CO-ADD:0295263,-8.67,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccc(cc1)F)Nc2sc(c3c2C#N)CCCCC3,0.0
77487,CO-ADD:0288449,-8.67,c1(C(CCO2)CC2)n(CCN)c(cn1)C.Cl.Cl,0.0
77488,CO-ADD:0288466,-8.67,c1(C(CCCN2)C2)ncc(C)n1C(C3)CC3.Cl.Cl,0.0
77489,CO-ADD:0289331,-8.67,n1c(CCNC)noc1COc(ccc(c23)CCC2)c3.Cl,0.0
77490,CO-ADD:0299207,-8.67,N1(c2ccc(cc2)I)C(=O)CC(N(CC3)CCN3Cc(cc4)ccc4Cl)C1=O,0.0
77491,CO-ADD:0288905,-8.67,c1(nc([N+](=O)[O-])c(n1C2CN(C(=O)C(F)(F)F)CCC2)C)C,0.0
77492,CO-ADD:0289221,-8.67,N1(C(C)C)C(CNC(=O)OC(C)(C)C)=NNC1=S,0.0
77493,CO-ADD:0290702,-8.67,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)Br)n3c(c4c(cc3)cccc4)c1S(CCC)(=O)=O,0.0
77494,CO-ADD:0287736,-8.68,[n+]1(cnn(Cc2ccccc2)c1)[N-][N+](=O)[O-],0.0
77495,CO-ADD:0287707,-8.68,N1(c2cccc(F)c2)C(=O)\C(\SC1=S)=C/c(cc3OC)cc(c3OC(C)=O)OC,0.0
77496,CO-ADD:0287723,-8.68,P(c1ccccc1)(c2ccccc2)(=O)C(c3ccccc3)C[N+](=O)[O-],0.0
77497,CO-ADD:0287129,-8.68,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Nc(ccc(c3Cl)Cl)c3)n1c4ccc(c(Cl)c4)Cl,0.0
77498,CO-ADD:0287209,-8.68,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5ccccc5C)C6=C2CC(C)(C)CC6=O)C#N,0.0
77499,CO-ADD:0257607,-8.68,C(C)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc5c(OC)ccc(OC)c5)C24,0.0
77500,CO-ADD:0257343,-8.68,C1(CCC(CC1)C)(NC(COc2ccc(cc2Cl)Cl)=O)C(=O)Nc3cccc(Cl)c3,0.0
77501,CO-ADD:0257871,-8.68,n12c(S\C(=C\c(cc(OCO3)c3c4)c4Br)\C1=O)nc(cc(C)c(C)c5)c25,0.0
77502,CO-ADD:0257321,-8.68,C(=C\c(ccc1c(ccc(c2C(O)=O)Cl)c2)o1)(/C(=O)NN3c4ccc(cc4)F)\C3=O,0.0
77503,CO-ADD:0259981,-8.68,n1c(N2CCC(CC2)C)c(Nc3ccccc3OC)nc(non4)c14,0.0
77504,CO-ADD:0283709,-8.68,N(c(cc1)ccc1OC)C(C)c2ccccc2,0.0
77505,CO-ADD:0284742,-8.68,c1(cc(ccc1N2CCC(CC2)C)\C=N\NC(=O)c(cccn3)c3)[N+](=O)[O-],0.0
77506,CO-ADD:0285324,-8.69,C(=O)(c1ccc(cc1)Br)N(CC2)CCN2c3ccccn3,0.0
77507,CO-ADD:0285116,-8.69,C(c1ccc(cc1)OCc2cccc(cccc3)c23)(NC(CCc4ccccc4)=O)NC(CCc5ccccc5)=O,0.0
77508,CO-ADD:0291479,-8.69,n1(n2)c(nc(cc1C(F)(F)F)c(ccc(c3Cl)Cl)c3)cc2C(=O)N(CC4)CCN4Cc5ccccc5,0.0
77509,CO-ADD:0291872,-8.69,c1(NC(=O)\C=C\c(cc2)ccc2OC)sc3c(ccc(OC)c3)n1,0.0
77510,CO-ADD:0291880,-8.69,c1(c(ccc(c2NC(=O)c(ccc(c3[N+](=O)[O-])Cl)c3)C)c2)[nH]c(c4n1)cccc4,0.0
77511,CO-ADD:0292144,-8.69,c1(SCC(=O)c2ccc(c(OC)c2)OC)nc(C)cc(C)n1,0.0
77512,CO-ADD:0291488,-8.69,n12c(cc(C(NCCCn(ccn3)c3)=O)n1)nc4c(CCc(cccc5)c45)c2C(F)(F)F,0.0
77513,CO-ADD:0291825,-8.7,c1(NC(=O)\C=C\c2ccccc2)sc(c3c1C(N)=O)CCC3,0.0
77514,CO-ADD:0286628,-8.7,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2Cc3ccccc3)Cl,0.0
77515,CO-ADD:0292129,-8.7,n1(c2cccc(Cl)c2)nc(c3n1)ccc(NC(=O)c4ccc(c(cccc5[N+](=O)[O-])c5)o4)c3,0.0
77516,CO-ADD:0287366,-8.7,c1(c(cccc1F)Cl)COc2ccccc2C=O,0.0
77517,CO-ADD:0287398,-8.7,C1(c2ccc(cc2)OCC(N)=O)N(c3ccc(cc3)C)CCN1c4ccc(cc4)C,0.0
77518,CO-ADD:0287223,-8.7,n1c(csc1\C(\C#N)=C\c2cccn2C)c3cccs3,0.0
77519,CO-ADD:0291417,-8.7,C1(=NCC(=O)N1c(cc2)ccc2c3ccccc3)Nc4nc(C)cc(C)n4,0.0
77520,CO-ADD:0285539,-8.7,C1(C2c3ccc(cc3)OC)=C(NCCN=C1c4ccc(cc4)Cl)C(N2c5ccccc5)=O,0.0
77521,CO-ADD:0290543,-8.7,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc5c6ccccc6F)o5,0.0
77522,CO-ADD:0286785,-8.7,N1(CCOC(C)=O)C(=O)c2c(C(C)=N1)cccc2,0.0
77523,CO-ADD:0286407,-8.7,c1(c(C)on2)c2CC(C)(O)C(C(C)=O)C1c3ccc(cc3)C,0.0
77524,CO-ADD:0292533,-8.7,N1(C)c2c(cccc2)NC(c3ccccc3)CC1=O.Cl,0.0
77525,CO-ADD:0296120,-8.7,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3CC(=O)N(CC4)CCO4)[N+](=O)[O-],0.0
77526,CO-ADD:0296128,-8.71,C(=O)(Nc(cc1)ccc1Cc(cc2)ccn2)c3ccco3,0.0
77527,CO-ADD:0295658,-8.71,N1(c2ccccc2F)C(=O)\C(=C\c(cc(n3c4ccccc4)c5ccccc5)c3c6ccccc6)\C(NC1=S)=O,0.0
77528,CO-ADD:0296141,-8.71,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N3CCCC3,0.0
77529,CO-ADD:0295604,-8.71,C(C(c1ccccc1)=O)(C2c3cccc(F)c3)=C(O)C(N2CCC(O)=O)=O,0.0
77530,CO-ADD:0293903,-8.71,C(=O)(C(OC)c1ccccc1)NCc(cc2)ccc2C(C)(C)C,0.0
77531,CO-ADD:0294119,-8.71,C1(SCC(=O)Nc2ccc(cc2F)F)=NCCS1,0.0
77532,CO-ADD:0292345,-8.71,n12c(S\C(=C/c(ccc3c(cccc4[N+](=O)[O-])c4)o3)\C1=O)nc(cc(Br)cn5)c25,0.0
77533,CO-ADD:0292897,-8.71,n1(n2)c(cc2C(=O)N(CC3)CCN3c4ccccc4OC)nc5c(CCc(cccc6)c56)c1C(F)(F)F,0.0
77534,CO-ADD:0295228,-8.71,c1(c(OC)ccc(Cl)c1)NC(=O)CCN(CC2)CCN2Cc3ccccc3,0.0
77535,CO-ADD:0295277,-8.71,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c4ccc(cc4)Cl,0.0
77536,CO-ADD:0293529,-8.71,C(C(c1ccccc1)=O)(C2c(cccc3[N+](=O)[O-])c3)=C(O)C(N2CCCC(O)=O)=O,0.0
77537,CO-ADD:0295932,-8.72,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c(cc3)ccc3c4ccccc4,0.0
77538,CO-ADD:0294407,-8.72,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)Nc(c(Cl)ccc4C(F)(F)F)c4)c1Cl,0.0
77539,CO-ADD:0295788,-8.72,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(=O)N3CCCCC3)c4ccccc4,0.0
77540,CO-ADD:0295535,-8.72,N1(CCCN(CC2)CCO2)C(C)(O)C(OC1=O)(C)C,0.0
77541,CO-ADD:0292553,-8.72,c1(c(C)nn(c2ccc(cc2)CC)c1O)C(c3ccccc3O)c4c(C)nn(c5ccc(cc5)CC)c4O,0.0
77542,CO-ADD:0289025,-8.72,c(C(=O)N(CCCC1C(O)=O)C1)(nnc2C(=O)Nc(cc3)ccc3OC)s2,0.0
77543,CO-ADD:0299168,-8.72,C12(C#N)C(Cc3ccccc3)OC4(C(CCCC4)C1(C#N)C#N)OC2=N,0.0
77544,CO-ADD:0299704,-8.72,C(=O)(Nc(cc1)ccc1OC(F)(F)F)c2ccco2,0.0
77545,CO-ADD:0286363,-8.73,n1(CC(=O)NNC(COc2ccc(cc2Cl)Cl)=O)c(C)c(c(C)n1)Br,0.0
77546,CO-ADD:0287312,-8.73,c1(C(=O)Nc2ccccc2C)c3c(sc1NC(=O)C(C)Oc4cccc(Cl)c4)CC(C)CC3,0.0
77547,CO-ADD:0288642,-8.73,C(CNC(=O)OC(C)(C)C)n(c(cn1)C)c1C2CCC2,0.0
77548,CO-ADD:0287545,-8.73,c1(N(CC2)CCO2)nc(CSCc3ccccc3)nc(N)n1,0.0
77549,CO-ADD:0291002,-8.73,N1=C(SCCOc2ccc(cc2C(C)C)C)NC(C)=CC1=O,0.0
77550,CO-ADD:0291213,-8.74,n1c2c(oc1c3ccccc3)ccc(c2)NC(=O)c4ccc(c(cccc5[N+](=O)[O-])c5)o4,0.0
77551,CO-ADD:0290823,-8.74,c1(OC(N)=C(C2c3ccc(cc3F)Br)C#N)c2c([nH]n1)C,0.0
77552,CO-ADD:0290865,-8.74,c1(c2c([nH]c1C)cccc2)C(c3cc(Cl)cc(Cl)c3N(CC4)CCO4)c5c6c([nH]c5C)cccc6,0.0
77553,CO-ADD:0290897,-8.74,N(C(C)=O)(NC(N1C(C)=O)=S)C1c2ccc(cc2Cl)Cl,0.0
77554,CO-ADD:0284442,-8.74,N1(C(=O)COc2ccccc2)N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
77555,CO-ADD:0283795,-8.74,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)Nc4cc(on4)C)c1Br,0.0
77556,CO-ADD:0278387,-8.74,c12c(nnc(SCC(=O)Nc(cccc3C(C)=O)c3)n1)c(c4n2C(C)C)cccc4,0.0
77557,CO-ADD:0259896,-8.75,C(=O)(NCc(ccc(c12)OCO1)c2)C(NCCCCCCC)=O,0.0
77558,CO-ADD:0283975,-8.75,C(C(OCC=C)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4ccc(c(OC)c4)OCC,0.0
77559,CO-ADD:0284454,-8.75,C12(O)C(O)(c3c(cccc3)C1=O)NC(C)=C2C(=O)OCC(C)C,0.0
77560,CO-ADD:0277776,-8.75,N1(c(cccc2C(=O)N\N=C/c(cc3)ccc3Cl)c2)Cc4c(cccc4)C1,0.0
77561,CO-ADD:0291960,-8.75,C1(NC(CCc2ccc(C)o2)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
77562,CO-ADD:0292072,-8.75,C(/S\C(\N1CC)=C(\C(C)=NN2c(cc3)ccc3C(O)=O)/C2=O)(\C1=O)=C(/Sc(c45)ccc(OC)c4)\N5C,0.0
77563,CO-ADD:0291577,-8.75,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC=C)C2c3cccs3,0.0
77564,CO-ADD:0291663,-8.75,C(/C#N)(\C(OCC)=O)=C(\CCCCC1)/N1,0.0
77565,CO-ADD:0299394,-8.75,N1(c2ccccc2C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4NC(C)=O,0.0
77566,CO-ADD:0291686,-8.75,c1(C(=O)N(C)CCO)c2c(sc1NC(c3ccccc3)=O)CCCC2,0.0
77567,CO-ADD:0291358,-8.75,c1(C(OCC)=O)c(c2ccc(cc2)Br)csc1NC(CSc3ccccc3)=O,0.0
77568,CO-ADD:0287648,-8.75,C(/S\C(\N1C)=C(/C(C)=NN2c3ccccc3Cl)\C2=O)(\C1=O)=C(/Sc(c45)cccc4)\N5C,0.0
77569,CO-ADD:0289090,-8.75,c(C(=O)OC(C)C)(c(C)[nH]c1C(=O)N2CCC(CC2)CC(O)=O)c1C,0.0
77570,CO-ADD:0288701,-8.75,n1(c(ncc1C)CCNC(=O)OC(C)(C)C)C2CCCCCCC2,0.0
77571,CO-ADD:0287600,-8.76,C(=N/NC(=O)c1ccccc1[N+](=O)[O-])(/C2(C)C)\C3(C)CC2CC3,0.0
77572,CO-ADD:0289084,-8.76,c1(C(=O)Nc2ccccc2)sc(nn1)COc(ccc3C(OC)=O)cc3,0.0
77573,CO-ADD:0299280,-8.76,c1(C(=O)Nc2ccccc2OCC)c3c(sc1NC(=O)c4ccccc4C)CC(C)CC3,0.0
77574,CO-ADD:0299325,-8.76,c(c1c2ccccc2)(C3c4ccc(c(OCC)c4)O)c([nH]n1)OC(N)=C3C#N,0.0
77575,CO-ADD:0299733,-8.76,N(CC1C)(CC(O1)C)C(=O)c(cc2)ccc2[N+](=O)[O-],0.0
77576,CO-ADD:0291122,-8.76,C1(C#N)(C#N)C(c2cccc(OC)c2O)C3C(C(C#N)=C1N)=CCC(C(C)(C)C)C3,0.0
77577,CO-ADD:0299855,-8.76,N1(c2cccc(OC)c2)C(=O)NC(\C(=C/c(ccc(c3OC)OC)c3OC)\C1=O)=O,0.0
77578,CO-ADD:0292873,-8.76,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc4c(Br)cc(cc4F)F)n2,0.0
77579,CO-ADD:0295295,-8.76,[N+](=O)([O-])c1ccc(cc1C)C(O\N=C\c(ccc(c2OC)OC)c2)=O,0.0
77580,CO-ADD:0293059,-8.76,N1(CN2CCCCC2)c(cccc3)c3\C(=N\c(cc4)ccc4Oc5ccccc5)\C1=O,0.0
77581,CO-ADD:0292715,-8.76,s1c(c(cc2)ccc2C(C)(C)C)nnc1NC(C(C)C)=O,0.0
77582,CO-ADD:0292707,-8.76,n1(c2c(nn1)cccc2)C(=O)c3ccccc3C(OCCCC(F)(F)C(F)(F)F)=O,0.0
77583,CO-ADD:0296130,-8.76,c1(ccc(cc1N2CCCCC2)N(CC3)CCN3C(=O)c4ccc(cc4)F)[N+](=O)[O-],0.0
77584,CO-ADD:0295554,-8.76,[C-]([S+](c1ccccc1)c2ccccc2)([N+](=O)[O-])[N+](=O)[O-],0.0
77585,CO-ADD:0296041,-8.76,C(C(OCC)=O)(C(c1ccccc1Br)N2)=C(C)N(C2=O)CCO,0.0
77586,CO-ADD:0292993,-8.77,C1(C(=O)[O-])=C(Cl)C=C(C(=O)N1)C(N)=O.[K+],0.0
77587,CO-ADD:0293613,-8.77,c(C(=O)OCC(=O)c1ccc(c(C)c1)C)(cn(n2)c3ccccc3)c2c4ccccc4,0.0
77588,CO-ADD:0293830,-8.77,n1(c(cc2)ccc2C(N)=O)nnnc1SCC(=O)Nc(cc3)ccc3OCC,0.0
77589,CO-ADD:0295315,-8.77,N1(c2ccc(cc2)C)C(=O)\C(=C\Nc(cc3)ccc3Cl)\C(NC1=O)=O,0.0
77590,CO-ADD:0294746,-8.77,c1(NC(=O)c2ccc(cc2)OCCC)sc(c3c1C#N)COC(C)(C)C3,0.0
77591,CO-ADD:0288658,-8.77,C(=O)(N1CC(CC1)Cn2c(C3CCC3)ncc2C)OC(C)(C)C,0.0
77592,CO-ADD:0299871,-8.77,n12c(cc(c3ccccc3)n1)nc(cc2C(F)(F)F)C(F)(F)F,0.0
77593,CO-ADD:0286652,-8.77,N1(Cc2ccco2)C(=O)\C(\SC1=S)=C(/c3c(N4)ccc(Br)c3)\C4=O,0.0
77594,CO-ADD:0286732,-8.78,C(/C(=O)N(C1=S)C)(\N1c2ccccc2)=C(\S\C(\C3=O)=C(/Sc(c45)ccc(OC)c4)\N5C)/N3C6CCCCC6,0.0
77595,CO-ADD:0286372,-8.78,N12C(NC(=O)c(c3c(CCCC3)s4)c14)=C(C(c(cccn5)c5)C6=C2CC(C)(C)CC6=O)C#N,0.0
77596,CO-ADD:0290900,-8.78,c1(ccoc1C)C(=O)Nc(cccc2C(O)=O)c2,0.0
77597,CO-ADD:0291911,-8.78,C(C(O)=O)(C1c2ccccc2)C(C1C(OCCCCCCCC)=O)c3ccccc3,0.0
77598,CO-ADD:0285181,-8.78,S(=O)(=O)(N(CC1)CCO1)c2csc(C(=O)NC3CCCCC3)c2,0.0
77599,CO-ADD:0285213,-8.78,c(cn(n1)c2ccccc2)(c1c3ccc(cc3)Cl)C4SCC(=O)N4Cc5ccco5,0.0
77600,CO-ADD:0290507,-8.78,N1(C)C(=O)c2c(N=C1SCc(cc3)ccc3OCC(OC)=O)cccc2,0.0
77601,CO-ADD:0290444,-8.78,C(C#N)(C(c(cc1)ccc1[N+](=O)[O-])c(ccc(c2)N)c2O3)=C3N,0.0
77602,CO-ADD:0259657,-8.78,c1(C#N)c(NCc2ccccc2)oc(c3ccccc3)n1,0.0
77603,CO-ADD:0259697,-8.78,S(c1ccccc1)(=O)(=O)N(c2ccccc2)CC(NCCSc3sc(c4n3)cccc4)=O,0.0
77604,CO-ADD:0257691,-8.78,N1(c(cc2)ccc2C(=O)OCc3ccccc3)C(=O)C(C(C(c4c5cccc4)c6c7cccc6)C1=O)C57,0.0
77605,CO-ADD:0259317,-8.79,c1(OC(=O)C=C2C)c2ccc(OCC(OCC)=O)c1C,0.0
77606,CO-ADD:0259294,-8.79,C12(CCCN(Cc3ccccc3)C1=O)CCCN(Cc4ccccc4)C2=O,0.0
77607,CO-ADD:0259566,-8.79,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
77608,CO-ADD:0283784,-8.79,c1(c2nc(cccc3)c3n1)\C(=N/C4CCCCC4)\c5c2cccc5,0.0
77609,CO-ADD:0260120,-8.79,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(c(C)c3)C)\N2CCc(cc4)ccc4S(N)(=O)=O.Br,0.0
77610,CO-ADD:0284072,-8.79,N1(c2ccccc2)C(=O)C(CC1=O)NCCCC(O)=O,0.0
77611,CO-ADD:0259448,-8.79,c12c(nnc(SCC(=O)Nc3cc(on3)C)n1)c4c(cccc4)n2C,0.0
77612,CO-ADD:0278088,-8.79,s1c(c(cc2)ccc2[N+](=O)[O-])nnc1NC(=O)c3ccccc3F,0.0
77613,CO-ADD:0291425,-8.79,S(=O)(=O)(c1ccc(cc1)OCC)N2CCSC2c3ccc4c(c(ccc5)CC4)c35,0.0
77614,CO-ADD:0292049,-8.79,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(ccc3c(cc4)ccc4C(=O)OC(C)C)o3,0.0
77615,CO-ADD:0291098,-8.79,C(Cc1ccc(C)s1)(CCc(cc2)ccn2)(C(=O)N(C)C(N3C)=O)C3=O,0.0
77616,CO-ADD:0290291,-8.79,N12C(S\C(=C\c(ccc(c3OCC)OCc4ccccc4Cl)c3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5ccc(c(cccc6)c56)OC,0.0
77617,CO-ADD:0288061,-8.79,c1(C(O)c(cc2OC)cc(c2OC)OC)n(CC)c3c(cccc3)n1,0.0
77618,CO-ADD:0287822,-8.79,c(c(COC)[nH]n1)(C2c3ccccc3OC)c1OC(N)=C2C#N,0.0
77619,CO-ADD:0287552,-8.79,N12C(N=C(N)c(c3c(CCCCC3)s4)c14)=C(C(c5ccc(cc5)C)C6=C2CC(C)(C)CC6=O)C#N,0.0
77620,CO-ADD:0291476,-8.79,n12c(nc(cc1C(F)(F)F)c3cccs3)cc(C(=O)Nc4ccc(cn4)Br)n2,0.0
77621,CO-ADD:0291500,-8.79,c1(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Sc(cc4)ccc4Br)cc5[N+](=O)[O-])c5)c1Cl,0.0
77622,CO-ADD:0288051,-8.79,C1(C(OCC)=O)=C(N)Oc(ccc(cccc2)c23)c3C1c4ccc(cc4)C,0.0
77623,CO-ADD:0299330,-8.8,C(C#N)(C1c2ccc(cc2)OC(=O)N(CC3)CCO3)=C(N)OC(CCCC4=O)=C14,0.0
77624,CO-ADD:0288884,-8.8,c(n1CCN)(nc([N+](=O)[O-])c1C)C.Cl.Cl,0.0
77625,CO-ADD:0286479,-8.8,N1(c(cccc2C(F)(F)F)c2)C(=O)c(c(c3)C1=O)ccc3S(=O)(=O)c(cc4)ccc4C(O)=O,0.0
77626,CO-ADD:0286554,-8.8,C(C(c1ccccc1)=O)(C(c2ccccc2)=O)C(c3ccc(cc3)OC)NC(OCC)=O,0.0
77627,CO-ADD:0286923,-8.8,C(=N/O)(/C(OCC)=O)\C(\C)=N\NC(=O)c1c(cccc1F)F,0.0
77628,CO-ADD:0286484,-8.8,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
77629,CO-ADD:0290741,-8.8,n1(c(C)ncc1[N+](=O)[O-])S(=O)(=O)c2ccc(c(C)c2)C,0.0
77630,CO-ADD:0285430,-8.8,C1(SC)=NC2(Cc(cc(OC)c(OC)c3)c13)CCCC2,0.0
77631,CO-ADD:0299174,-8.8,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)NCCCCCCC,0.0
77632,CO-ADD:0287885,-8.8,c12c(n(cn1)Cc(cc3)ccc3F)C(N(C)C(=O)N2C)=O,0.0
77633,CO-ADD:0285719,-8.8,c12c(cc(cc1Oc3ccccc3)[N+](=O)[O-])SN(C)C2=O,0.0
77634,CO-ADD:0285111,-8.8,n1(NC(COc2ccccc2C)=O)nnnc1Nc3ccccc3,0.0
77635,CO-ADD:0292729,-8.8,N(C=O)(CC(C)C(N1)=O)c(cccc2)c12,0.0
77636,CO-ADD:0293583,-8.8,C1(c2ccccc2F)Nc(ccc(c3)NC(C)=O)c3C(C(C4Sc5ccccc5[N+](=O)[O-])Cl)C1C4,0.0
77637,CO-ADD:0292540,-8.81,N1(C)c(cc2)c(cc2[N+](=O)[O-])NC(C)CC1=O,0.0
77638,CO-ADD:0296121,-8.81,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3CC(=O)N(CC4)CCO4)[N+](=O)[O-],0.0
77639,CO-ADD:0293674,-8.81,c(cc(C(OCC)=O)c(n1)C)(\C(=N/NC(N)=S)\c(c23)cccc2)c13,0.0
77640,CO-ADD:0293723,-8.81,C1(C2c3ccccc3O)=C(CC(C)(C)CC1=O)N(C(CC(C)(C)CC4=O)=C24)CC5CCCO5,0.0
77641,CO-ADD:0292871,-8.81,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc2C(=O)N4CCCCC4C,0.0
77642,CO-ADD:0292644,-8.81,C(=O)(N(CC1)CCN1C)c2cc(OC)cc(OC)c2,0.0
77643,CO-ADD:0295867,-8.81,C1(C#N)=C(N)OC(=C2C1c(cc3OC)cc(c3OC(C)=O)OC)CCCC2=O,0.0
77644,CO-ADD:0294908,-8.81,C12(\C=C\c3cccc(Br)c3)N(CC(=O)N1)c4c(cccc4)C2(C)C,0.0
77645,CO-ADD:0295573,-8.81,c1(cc(cc2c1cc3c(n2)ccc(OC)c3)[N+](=O)[O-])[N+](=O)[O-],0.0
77646,CO-ADD:0292788,-8.81,c1(C(=O)N(C)C)c2c(sc1NC(=O)c3ccc(cc3)C)CC(C)CC2,0.0
77647,CO-ADD:0286078,-8.81,N1(C(CCCCCCCCC)=O)c2c([C@]([H])(CN(C)CC3)[C@]13[H])cc(C)cc2.Cl,0.0
77648,CO-ADD:0286470,-8.81,C(/S\C(\C1=O)=C\c(ccc(c2OC)OC)c2)(=N\S(Cc3ccccc3)(=O)=O)\N1,0.0
77649,CO-ADD:0287313,-8.81,c1(c2c(sc1NC(=O)C(C)Oc3cccc(Cl)c3)CCCC2)C(=O)Nc4ccccc4C,0.0
77650,CO-ADD:0286686,-8.81,N1(NC(NC1=S)(C)C)c2sc(c3n2)cccc3,0.0
77651,CO-ADD:0286702,-8.81,N(c1cccc(cccc2)c12)(C3=O)C(SCC(=O)N(CC4)CCO4)=Nc5c3c6c(s5)CCCC6,0.0
77652,CO-ADD:0290381,-8.81,c(Sc1nccn1C)(n2)nc(nc2Nc3ccccc3)Nc4ccccc4,0.0
77653,CO-ADD:0290480,-8.82,C(/S(CC)(=O)=O)(\S(CC)(=O)=O)=C(\Nc(cc1)ccc1OC)/Nc(cc2)ccc2OC,0.0
77654,CO-ADD:0287580,-8.82,n(c1c(n2)cccc1)(Cc(cc3OC)c(OC)cc3Cn(c4c(n5)cccc4)c5C)c2C,0.0
77655,CO-ADD:0287821,-8.82,c1(O2)c(c([nH]n1)CCC)C(C(C#N)=C2N)c3ccc(cc3)F,0.0
77656,CO-ADD:0287776,-8.82,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)N2CCC(CC2)C(OCC)=O,0.0
77657,CO-ADD:0257628,-8.82,N1(c2ccccc2Oc(c(F)c3F)c(F)c(c3Oc4ccccc4N5C(=O)C6C(C7CC6C=C7)C5=O)F)C(=O)C8C(C9CC8C=C9)C1=O,0.0
77658,CO-ADD:0257340,-8.82,N1(OC(=O)c(cccc2N3C(=O)c4c(cccc4)C3=O)c2)C(=O)c5c(cccc5)C1=O,0.0
77659,CO-ADD:0258068,-8.82,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(cc4)ccc4OC(C)=O)\C1=O,0.0
77660,CO-ADD:0258393,-8.82,N1(c2ccc(cc2)OC)C(=O)C(C(C1=O)C34CO)C(c(c35)cccc5)c(c46)cccc6,0.0
77661,CO-ADD:0278646,-8.82,c1(nc(c2n1Cc(ccc(c3Cl)Cl)c3)cccc2)c4nonc4N,0.0
77662,CO-ADD:0277798,-8.83,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)Nc5c(C)cc(cc5C)I,0.0
77663,CO-ADD:0257581,-8.83,N1(c2ccc(c(C)c2)C)C(=O)\C(=C\c3cc(Br)cc(I)c3O)\C(NC1=S)=O,0.0
77664,CO-ADD:0257933,-8.83,N1(CNc2cccc(Br)c2)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
77665,CO-ADD:0259660,-8.83,c1(sc(c2n1)cccc2)NC(=O)C(CC)(C(F)(F)F)C(F)(F)F,0.0
77666,CO-ADD:0259668,-8.83,N1(c2ccccc2)C(=O)C(CC1=O)Sc3sc(c4n3)cccc4,0.0
77667,CO-ADD:0259852,-8.83,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c4ccccc4)\SC=C1c(cc5)ccc5[N+](=O)[O-].Br,0.0
77668,CO-ADD:0291223,-8.83,c1(oc(c2n1)ccc(C)c2)c3cc(ccc3Cl)NC(=O)c(ccc4[N+](=O)[O-])o4,0.0
77669,CO-ADD:0291192,-8.83,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)Nc4cccc(C)c4Cl,0.0
77670,CO-ADD:0290339,-8.83,c1(c2ccc(cc2)NC(=O)C(F)(F)F)sc(c3n1)cccc3,0.0
77671,CO-ADD:0288077,-8.83,c1(cc(OC)ccc1O)C2SCc(c3CS2)cc(c(C)c3)C,0.0
77672,CO-ADD:0291546,-8.83,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3cccc(O)c3,0.0
77673,CO-ADD:0291874,-8.83,n1c(c2ccccc2)nnn1CC(NN)=O,0.0
77674,CO-ADD:0291882,-8.83,n1c(C2CCC(CC2)CCC)onc1c3ccc(cc3)Br,0.0
77675,CO-ADD:0285812,-8.84,N1(CC(C)C)C(=O)c(c2C1=O)ccc(c2)C(=O)Nc3sccn3,0.0
77676,CO-ADD:0285852,-8.84,C1(S2)(SC(=C2C(OCC)=O)C(OCC)=O)C(C(OCC)=O)=C(C(OCC)=O)SC(C(N3C(CCCC)=O)(C)C)=C1c(cc(OC)cc4)c34,0.0
77677,CO-ADD:0300004,-8.84,n1(c2ccc(c3c2)OCO3)nnnc1SCc4ccccc4F,0.0
77678,CO-ADD:0286981,-8.84,N1(N=C(S2)N)C2=NC(C)=CC1=O.Cl,0.0
77679,CO-ADD:0287256,-8.84,N(C(=S)NNC(=O)c1cccs1)C(=O)c(cccn2)c2,0.0
77680,CO-ADD:0287970,-8.84,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5cc6c(cc5Br)OCO6)cccc4,0.0
77681,CO-ADD:0299284,-8.84,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)NCCc3ccccc3F,0.0
77682,CO-ADD:0285105,-8.84,N1(NC(Cc2ccccc2)=O)C(=O)C(C(C1=O)C34C)C(c(c35)cccc5)c(c46)cccc6,0.0
77683,CO-ADD:0285034,-8.85,c1(ccoc1C)C(=O)N\N=C(/C)\CC,0.0
77684,CO-ADD:0286164,-8.85,N(c1ccccc1)(C(c2ccccc2)=NN3c4ccccc4)C3c5ccccc5OCc(cc6)ccc6Cl,0.0
77685,CO-ADD:0286956,-8.85,C1(C(=O)OCc(ccc(c23)OCO2)c3)=C(C)NC(NC1c4ccc(c(OC)c4)OCc5ccccc5)=O,0.0
77686,CO-ADD:0286499,-8.85,c(C(=O)Nc1ccccc1C)(n(C)nc2C(=O)Nc3ccccc3C)c2,0.0
77687,CO-ADD:0286976,-8.85,c1(C(OCC)=O)c(cc(OC(C)=O)c(c2)Br)c2n(C)c1CSc3nc(C)c(c(C)c3C#N)CC,0.0
77688,CO-ADD:0294837,-8.85,C(c1c2cccc1)(=N3)c(c(C(=O)N3)ccc4N5CCCCC5)c4C2=O,0.0
77689,CO-ADD:0295701,-8.85,c1(NC(CSc(cc2)ccc2Cl)=O)sc(c3c1C#N)CCC3,0.0
77690,CO-ADD:0294912,-8.85,c1(N(CC2)CCO2)nc(CSc3nnc(C)s3)nc(N)n1,0.0
77691,CO-ADD:0293897,-8.85,c1(cc(ccc1N(CC2)CCC2C(=O)Nc(c3)c(ccc3C(F)(F)F)Oc(cc4)ccc4C)C(F)(F)F)[N+](=O)[O-],0.0
77692,CO-ADD:0294111,-8.85,C(/SC=C1c2ccc(cc2)OC)(=N/c(c(C)ccc3C(O)=O)c3)\O1,0.0
77693,CO-ADD:0293267,-8.85,c1(NC(CCCC(OCC#C)=O)=O)sc(c2n1)cccc2,0.0
77694,CO-ADD:0292444,-8.85,c12c(C(N(C)C(=O)N1C)=O)n(c(N3)n2)CC(=N3)c4ccccc4,0.0
77695,CO-ADD:0295144,-8.85,n1(Cc2ccccc2)c(cccc3)c3c(SC)c1CC(=O)Nc4ccccc4Cl,0.0
77696,CO-ADD:0292930,-8.85,C1(c2ccc(cc2)C)(c3ccc(cc3)C)c4c(C(=O)O1)cccc4,0.0
77697,CO-ADD:0292550,-8.85,N(C(C)=O)(c1c2cccc1)C(=O)C(C)CN2C(C)=O,0.0
77698,CO-ADD:0292759,-8.86,S(=O)(=O)(c1ccc(cc1)Cl)N2CCSC2c3ccc(c(OC)c3)OC,0.0
77699,CO-ADD:0286278,-8.86,N1(\N=C(/CCCCC2)\C2)C(c3cccc(Cl)c3)Nc(c4C1=O)cccc4,0.0
77700,CO-ADD:0286422,-8.86,c1(cc(cc2c1cc3c(n2)ccc(C)c3)[N+](=O)[O-])[N+](=O)[O-],0.0
77701,CO-ADD:0286430,-8.86,[N+](=O)([O-])\C=C/Nc1ccccc1C(O)=O,0.0
77702,CO-ADD:0288695,-8.86,n1(c(ncc1C)CCNC(=O)OC(C)(C)C)Cc2ccccc2,0.0
77703,CO-ADD:0288912,-8.86,n12c(cc(C)n1)c3c(Oc4c2ccc(c4)C(OC)=O)ccc(Cl)c3,0.0
77704,CO-ADD:0288000,-8.86,C1(C(=O)OC2CCCCCC2)=C(C)NC(=O)CC1c3cccc(Cl)c3Cl,0.0
77705,CO-ADD:0288008,-8.86,n1(Cc(c(C)c2)cc(c2Cn3c(C)cc(C)n3)C)c(C)cc(C)n1,0.0
77706,CO-ADD:0291401,-8.86,N1(c2ccc(c(Cl)c2)C)C(=O)CC(N(CC3)CCN3CC)C1=O,0.0
77707,CO-ADD:0287127,-8.86,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccc(c4c3)OCO4.O,0.0
77708,CO-ADD:0287151,-8.86,c1([N+](=O)[O-])nnn(C\C(\C)=N/NC(=O)c(cccn2)c2)n1,0.0
77709,CO-ADD:0287415,-8.86,c1(O)c(I)cc(cc1I)CC(C(O)=O)NC(OCc2ccccc2)=O,0.0
77710,CO-ADD:0258105,-8.86,C(=N\C1CCCCC1)(/SC(C2=O)CC(=O)Nc3ccccc3)\N2,0.0
77711,CO-ADD:0258891,-8.87,C(=O)(Nc1cccc(SC)c1)\C=C/C(O)=O,0.0
77712,CO-ADD:0258803,-8.87,c1(c(cccc2C)c23)c(CC(C)S1)c(n3)C,0.0
77713,CO-ADD:0258708,-8.87,S1(=O)(=O)c(cccc2)c2C(NCCN)=N1,0.0
77714,CO-ADD:0257898,-8.87,c1(C(O)=O)c(cccc1[N+](=O)[O-])C(=O)Nc2ccccc2F,0.0
77715,CO-ADD:0257580,-8.87,C(=O)(OCC(c1ccccc1)=O)c2cccc(Cl)c2,0.0
77716,CO-ADD:0259940,-8.87,C(=N\c(cc1)ccc1F)(/SC(C2=O)CC(=O)Nc3ccccc3C)\N2C,0.0
77717,CO-ADD:0259798,-8.87,C1(C(=O)OCC(C)C)=C(C)NC(NC1c2cccc(O)c2)=O,0.0
77718,CO-ADD:0277873,-8.87,N1(c2ccccc2)C(=O)CC(N(C)CCCC)C1=O,0.0
77719,CO-ADD:0283593,-8.87,C(=O)(c1cccc(N)c1)Nc2cccc(Cl)c2,0.0
77720,CO-ADD:0278354,-8.87,N1(c2ccccc2OC)C(=O)C3C(C(\C(=C(\C)/C)\C34)C=C4)C1=O,0.0
77721,CO-ADD:0286638,-8.87,c1(\N=C/c(cccc2[N+](=O)[O-])c2)sc(c3c1C(=O)NCc4ccccc4)CCCC3,0.0
77722,CO-ADD:0299934,-8.87,C(=C(C)NC(=C1C#N)SCC(=O)Nc(ccc(c2Cl)Cl)c2)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
77723,CO-ADD:0285277,-8.87,[N+](=O)([O-])c(cccc1C(NCCCCc2ccccc2)=O)c1,0.0
77724,CO-ADD:0285637,-8.87,S(CCCC)(CCCCl)(=O)=[25O],0.0
77725,CO-ADD:0284985,-8.87,C(=N/c(cc1)ccc1Cl)(/SC=C2c3ccc(cc3)F)\N2CCCO.Br,0.0
77726,CO-ADD:0285313,-8.87,S(=O)(=O)(N(CC1)CCS1)c2ccccc2[N+](=O)[O-],0.0
77727,CO-ADD:0284962,-8.87,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccccc4)C3c5cccc(OC)c5,0.0
77728,CO-ADD:0285826,-8.88,C(/SC=C1c2ccccc2)(=N/C(c3ccccc3)=O)\N1CCc4ccccc4.Br,0.0
77729,CO-ADD:0291307,-8.88,N1(C(=O)CCC1=O)NC(=O)\C(\C#N)=C(/O)\c(cc2)ccc2[N+](=O)[O-],0.0
77730,CO-ADD:0299273,-8.88,C1(OC(CO1)COC(NC(CC)=O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F,0.0
77731,CO-ADD:0299723,-8.88,[N+](=O)([O-])c1ccc(cc1NC(CC)CO)N(CC2)CCO2,0.0
77732,CO-ADD:0285540,-8.88,c1([nH]c(c2n1)cccc2)Sc(c(cccc3)c3c(n4)c5ccccc5)n4,0.0
77733,CO-ADD:0291597,-8.88,c1(nc(c2ccc(cc2)OC)cc3C(F)(F)F)n3nc(C(NCCC)=O)c1Cl,0.0
77734,CO-ADD:0299233,-8.88,N1(c2cccc(C)c2)C(=O)CC(N(CC3)CCN3Cc(cc4)ccc4Cl)C1=O,0.0
77735,CO-ADD:0291450,-8.88,C(/c1c(N2CC)cccc1)(\C2=O)=C(\SC(N3c4ccccc4)=S)/C3=O,0.0
77736,CO-ADD:0290932,-8.88,c1(C2=O)c(sc3c1CCC(C3)C(C)(C)C)N=C(SCC(=O)C(C)(C)C)N2c4ccccc4,0.0
77737,CO-ADD:0287766,-8.88,[N+](=O)([O-])c1cccc(c1)\C=C\C(=O)\C=C\c2ccco2,0.0
77738,CO-ADD:0286492,-8.88,N1(c2ccc(cc2)F)C(=O)C(CC1=O)NCCc(cc3)ccc3Cl,0.0
77739,CO-ADD:0292775,-8.88,N(C)(C(NNC(N)=S)C(N1C)NNC(N)=S)C1=O,0.0
77740,CO-ADD:0293116,-8.89,c1(c2c(sc1NC(=O)c3cccs3)CCCCC2)C(=O)Nc4ccccc4CC,0.0
77741,CO-ADD:0292704,-8.89,n(c1OC)c(cc(OC)n1)NC(=O)c2ccc(cc2)OC,0.0
77742,CO-ADD:0293921,-8.89,c1(ccc(cc1OC)OC)C(=S)N2CCCC2,0.0
77743,CO-ADD:0295622,-8.89,c12c(c3c(CCCC3)s1)c(nc(c4ccc(cc4)C)n2)O,0.0
77744,CO-ADD:0292955,-8.89,N(c1ccc(cn1)Br)(C2c(cccc3[N+](=O)[O-])c3)C(=O)C(=C2C(C)=O)O,0.0
77745,CO-ADD:0294643,-8.89,n12c(nc(cc(C)c(C)c3)c13)S\C(\C2=O)=C(\c4c(N5CC(O)=O)cccc4)/C5=O,0.0
77746,CO-ADD:0294647,-8.89,C(/c1c2cccc1)(=N/C(c3ccccc3)=O)\C(Cl)=C(C2=O)Cl,0.0
77747,CO-ADD:0292244,-8.89,c(NC(=O)CC(c1ccccc1)c2ccccc2)(sc(c3c4ccc(cc4)OC)c5ccc(cc5)OC)n3,0.0
77748,CO-ADD:0292245,-8.9,c1(cc(CN2CCCC2)c(c3c1O)cccn3)[N+](=O)[O-],0.0
77749,CO-ADD:0293446,-8.9,N1(C(C)CC(c(cccc2)c12)Nc3ccccc3)C(=O)c4ccc(cc4)NS(C)(=O)=O,0.0
77750,CO-ADD:0292475,-8.9,c1(N2CCC(CC2)Cc3ccccc3)nc(OC)nc(NCC=C)n1,0.0
77751,CO-ADD:0288980,-8.9,S1(=O)(=O)c2c(ccc(F)c2)Oc(cccc3C#N)c3N1C4CC4,0.0
77752,CO-ADD:0288996,-8.9,c1(nc(C)nc2C(F)(F)F)c2Oc(c3C(=O)N1OC)cccc3,0.0
77753,CO-ADD:0288933,-8.9,n12c(c3c(Oc(cccn4)c14)cccc3)cc(C(F)(F)F)n2,0.0
77754,CO-ADD:0289130,-8.9,C(=O)(OC(C)(C)C)N1CC\C(\CC1)=C\c(ccc2C(OC)=O)cc2,0.0
77755,CO-ADD:0287583,-8.91,c1(SCC(OCC(=O)Nc(cc2)ccc2C(OC)=O)=O)nc(c3ccccc3)cc(c4ccccc4)n1,0.0
77756,CO-ADD:0290883,-8.91,s1c(C)nnc1SCC(=O)N(C)c2ccccc2,0.0
77757,CO-ADD:0291172,-8.91,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Cl)=C(O)C(N2CC4CCCO4)=O,0.0
77758,CO-ADD:0290996,-8.91,N1=C(SCCOc2ccccc2C)Nc(c3C1=O)cccc3,0.0
77759,CO-ADD:0291012,-8.91,C(C#N)(C(c1ccc(c2c1)OCO2)C3=C(N4c5ccc(c(Cl)c5)C)CCCC3=O)=C4N,0.0
77760,CO-ADD:0299475,-8.91,N1(C(c2ccc(cc2)Cl)CC(c3ccc(cc3)Br)=N1)c4ccc(cc4F)Br,0.0
77761,CO-ADD:0278833,-8.91,c1(NC(=O)c2ccc(cc2)C)n(c3ccccc3)ncc1C(=O)NCc4ccco4,0.0
77762,CO-ADD:0258454,-8.91,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cccc3[N+](=O)[O-])c3)c4sc(c5c4C#N)CCCCC5,0.0
77763,CO-ADD:0259669,-8.91,c1(C#N)c(C)c(CC(=O)c2ccc(cc2)Br)c(nc1SCC(=O)c3ccc(cc3)Br)C,0.0
77764,CO-ADD:0260193,-8.91,C(=N\c1ccccc1)(/N(CCO)C(=C2Oc(cc3)ccc3[N+](=O)[O-])c4ccccc4)\S2,0.0
77765,CO-ADD:0257847,-8.91,N1(C2c3ccccc3)C(S\C(=C\c(cc(n4c(cc5)ccc5[N+](=O)[O-])C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
77766,CO-ADD:0277467,-8.91,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)F)\N2CCc(ccc(c4OC)OC)c4.Br,0.0
77767,CO-ADD:0299998,-8.92,c1(cnc(C)n1Cc2ccc(cc2Cl)Cl)[N+](=O)[O-],0.0
77768,CO-ADD:0286943,-8.92,N1(\N=C(\CCCCC2)/C2)C(c(cccc3[N+](=O)[O-])c3)Nc(c4C1=O)cccc4,0.0
77769,CO-ADD:0287995,-8.92,C12(O)C(O)(c3c(cccc3)C1=O)NC(C)=C2C(=O)OC4CCCCCC4,0.0
77770,CO-ADD:0285642,-8.92,S(CCCCCCCCCCCC)(=O)C(CCl)CCl,0.0
77771,CO-ADD:0291385,-8.92,C12(c(cccc3)c3C(c4ccc(cc4)Br)(c5ccc(cc5)Br)S1)N(c(cc6)ccc6[N+](=O)[O-])N=C(C(C)=O)S2,0.0
77772,CO-ADD:0286238,-8.93,c1(SCC(=O)NC(C)(C)C)sc2c(ccc(c2)NC(C3CCCCC3)=O)n1,0.0
77773,CO-ADD:0288002,-8.93,C12(O)C(O)(c3c(cccc3)C1=O)NC(C)=C2C(=O)OCc(cc4)ccc4OC,0.0
77774,CO-ADD:0287731,-8.93,c1(OC(N)=C(C2\C(\C)=C\c3ccccc3)C#N)c2c(n[nH]1)C,0.0
77775,CO-ADD:0287755,-8.93,c1(sc(cc1C(OCC)=O)CC)NC(=O)c2cc(ccc2N(CC3)CCO3)[N+](=O)[O-],0.0
77776,CO-ADD:0286550,-8.93,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cc3)ccc3Cl)\N2CCc(ccc(c4OC)OC)c4)N5CCCCC5.Br,0.0
77777,CO-ADD:0286478,-8.93,C(c1ccco1)(O2)=Nc(c3C2=O)ccc(Cl)c3,0.0
77778,CO-ADD:0285602,-8.93,C(=CC(\C=C\c(ccc1c(ccc(c2C(O)=O)Cl)c2)o1)=NC3=O)(C(F)(F)F)N3,0.0
77779,CO-ADD:0299577,-8.93,c1(SCC(=O)Nc2cccc(O)c2)[nH]c(c3n1)cccc3,0.0
77780,CO-ADD:0299601,-8.93,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c5ccc(cc5OC)OC,0.0
77781,CO-ADD:0286739,-8.93,C1(C(C)=NN(c2ccccc2)C1=O)C(c3ccc(c4c3)OCO4)C5C(C)=NN(c6ccccc6)C5=O,0.0
77782,CO-ADD:0294414,-8.93,c1(nc(c2ccc(cc2)Cl)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Oc(cc4)ccc4Br)cc5[N+](=O)[O-])c5)c1Cl,0.0
77783,CO-ADD:0293630,-8.93,C(C#N)(C(CC(N1)=O)c(cc2OC)cc(c2O)Br)=C1SCC(=O)Nc3ccccc3C,0.0
77784,CO-ADD:0294773,-8.93,C(=C\C1=Nc(cccc2)c2C(=O)N1C)(/c(cc(C)cc3)c3N4C)\C4=O,0.0
77785,CO-ADD:0294379,-8.93,c1(scc(c2ccccc2)n1)NC(=O)c(cc3)cc(c3[N+](=O)[O-])C,0.0
77786,CO-ADD:0295991,-8.93,N1(CCCC(O)=O)C(=O)c2c(cc(cc2)C)C1=O,0.0
77787,CO-ADD:0293643,-8.93,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3Br)C2c4ccccc4OCC,0.0
77788,CO-ADD:0292758,-8.93,S(=O)(=O)(c1ccc(cc1)OC)N2CCSC2c3ccc(cc3)Cl,0.0
77789,CO-ADD:0295677,-8.93,C(C(C)=O)(C1c2ccccc2Cl)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
77790,CO-ADD:0295671,-8.93,C1(C(=O)OCc2ccccc2)=C(C)NC(=O)CC1c(cc3)ccc3C(OC)=O,0.0
77791,CO-ADD:0295137,-8.93,N1(c(ccc(c2C(F)(F)F)Cl)c2)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
77792,CO-ADD:0295259,-8.93,C(/C)(\C(=O)\C=C\c1ccccc1Cl)=C/c2ccccc2,0.0
77793,CO-ADD:0292200,-8.93,c1(C(OCC)=O)[nH]c(c(C(C)=O)c1C)C=O,0.0
77794,CO-ADD:0295698,-8.93,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c3c1C(N)=O)CCC3,0.0
77795,CO-ADD:0294013,-8.93,C1(c2ccccc2Br)N(CCCN1Cc3ccccc3)Cc4ccccc4,0.0
77796,CO-ADD:0293363,-8.94,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cccc(OC)c5OC)cccc4,0.0
77797,CO-ADD:0295430,-8.94,C(=O)(C(Cl)c1ccccc1)Nc(cc2OC)cc(c2OC)OC,0.0
77798,CO-ADD:0293102,-8.94,C(/c1c(N2)cccc1)(=N/NC(=O)c3[nH]ncc3Br)\C2=O,0.0
77799,CO-ADD:0292870,-8.94,c1(OC)c(OC)cc(cc1OC)CNC(C2CCCC2)=O,0.0
77800,CO-ADD:0255742,-8.94,n1(nnc(C(OCC)=O)c1CN(CCCC2C(OCC)=O)C2)c3nonc3N,0.0
77801,CO-ADD:0250359,-8.94,P(O)(O)(=O)c1cccc(OCCOCCOCCOc(cccc2P(O)(O)=O)c2)c1,0.0
77802,CO-ADD:0249937,-8.94,C(/CC1)(=C/c2cccs2)\C(=O)\C(\C1)=C\c3cccs3,0.0
77803,CO-ADD:0255526,-8.95,C1(c2ccccc2)=C(C1C(=O)Nc(ccc(c3Cl)Cl)c3)c4ccccc4,0.0
77804,CO-ADD:0250486,-8.95,c1(c2)c(N(CCC1(c3ccccc3)c4ccccc4)CCC5(c6ccccc6)c7ccccc7)c5cc2C(=O)OCC(=O)c(cc8)ccc8c9ccccc9,0.0
77805,CO-ADD:0250509,-8.95,N(CN1CCC(CC1)C)(N=C(N2C)c3ccccc3)C2=S,0.0
77806,CO-ADD:0253974,-8.95,N1(C2c3ccc(cc3)OC)C(S\C(=C\c4cccs4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
77807,CO-ADD:0255429,-8.95,[N+](=O)([O-])c1ccc(cc1C)C(=O)Nc2ccccc2O,0.0
77808,CO-ADD:0255654,-8.95,S(=O)(=O)(N(CC1)CCO1)c2csc(C(=O)Nc(cccc3[N+](=O)[O-])c3)c2,0.0
77809,CO-ADD:0250115,-8.95,C1(=O)C(C(C)C)CCC(C)C1C(C(C#N)C#N)(C#N)C#N,0.0
77810,CO-ADD:0255644,-8.95,c1(SCC(=O)Nc2ccccc2F)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
77811,CO-ADD:0250340,-8.95,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)Nc2ccc(c(OC)c2)OC,0.0
77812,CO-ADD:0258641,-8.95,C1(c2ccccc2Cl)=N\C(\C(=O)O1)=C/c(cc3)ccc3Br,0.0
77813,CO-ADD:0257477,-8.95,C(c1ccc(cc1)OCC(C)C)(NC(=O)\C=C\c2ccccc2)NC(=O)\C=C\c3ccccc3,0.0
77814,CO-ADD:0257390,-8.96,N1=C(C=C(\C=C\c(ccc(c23)OCO2)c3)NC1=O)C(F)(F)F,0.0
77815,CO-ADD:0257830,-8.96,C1(C(=O)OCC(F)(F)F)=C(C)NC(=O)NC1c2ccc(cc2)O,0.0
77816,CO-ADD:0257519,-8.96,c1(c(O)c(\C=N\Nc(cc2)ccc2Br)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
77817,CO-ADD:0257512,-8.96,N1(c2cccc(F)c2)C(=O)\C(\SC1=S)=C\C(\C)=C\c3ccccc3,0.0
77818,CO-ADD:0249467,-8.96,S(C)(=O)(=O)O[C@H]1CSC[C@H]1NC(OC)=O,0.0
77819,CO-ADD:0255116,-8.96,C(=O)(Oc1ccccc1)N2CCCC2C(=O)Nc(c(C)ccc3[N+](=O)[O-])c3,0.0
77820,CO-ADD:0255108,-8.96,S(=O)(=O)(c1ccc(cc1)\N=C\c2ccc(cc2Cl)Cl)Nc3ccccn3,0.0
77821,CO-ADD:0254337,-8.96,C(COc1ccc(cc1OC)CC=C)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
77822,CO-ADD:0249314,-8.96,N(c1cccc(C)c1C)(C(=O)C(C23)NN=C2C(OCC)=O)C3=O,0.0
77823,CO-ADD:0252828,-8.96,N1(\N=C\c(ccc(c2Br)OC)c2)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
77824,CO-ADD:0278383,-8.97,C(/N1CCCCC1)(=N/OC(C)=O)\c2ccc(cc2Cl)Cl,0.0
77825,CO-ADD:0278848,-8.97,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(cc3)ccc3OC)\C1=O)C,0.0
77826,CO-ADD:0279104,-8.97,C(=O)(Nc1ccccc1O)c(c2c3cccc2)c4c(n3)CCCC4,0.0
77827,CO-ADD:0284003,-8.97,C(C(=O)OCc1ccccc1)(=C(C)NC(=C23)CC(CC2=O)c4ccccc4)C3c5cccc(F)c5,0.0
77828,CO-ADD:0283075,-8.97,N1(C)C(=O)\C(\SC1=O)=C/c(cc(n2c(cc3)ccc3[N+](=O)[O-])C)c2C,0.0
77829,CO-ADD:0278954,-8.97,C1(CN(C)C)=C(C(O)=O)NC(=O)NC1=O,0.0
77830,CO-ADD:0283751,-8.97,C1(=NC2=O)C(=Cc(cccc3)c3N1c4ccc(cc4)I)C(N2C)=O,0.0
77831,CO-ADD:0283551,-8.97,n1c(c2ccc(cc2)O)[nH]c(c3ccccc3)c1c4ccc(cc4)Sc5ccccc5,0.0
77832,CO-ADD:0283575,-8.97,S(=O)(=O)(c(ccc(c1NC(=O)c2cccs2)Cl)c1)Nc(c3)cc(cc3C(OC)=O)C(OC)=O,0.0
77833,CO-ADD:0284887,-8.97,c1(nnc(Cc(cc2)ccc2F)s1)NC(C3CCCCC3)=O,0.0
77834,CO-ADD:0284635,-8.98,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c3ccc(c(OC)c3)OCCC,0.0
77835,CO-ADD:0283989,-8.98,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)OC)C3c5ccc(cc5OC)OC,0.0
77836,CO-ADD:0259973,-8.98,C1(=S)NC(C)CC(C(C(OCC)=O)C(c2ccccc2)=O)N1C,0.0
77837,CO-ADD:0277323,-8.98,N1(c2ccc(cc2)OCCCC)C(=O)CC(N(CC3)CCN3c(cccc4C(F)(F)F)c4)C1=O,0.0
77838,CO-ADD:0277635,-8.98,n1(nnc(C(OCC)=O)c1CSc2[nH]c(c3n2)ccc(OC)c3)c4nonc4N,0.0
77839,CO-ADD:0260102,-8.98,c12c(c(cc(Oc(c3N4)cccc3C)c14)NCCCN(C)C)C(c5c(cccc5)C2=O)=O,0.0
77840,CO-ADD:0259383,-8.98,c1(OC(N)=C(C2c3ccccc3Cl)C#N)c2c(n[nH]1)CCC,0.0
77841,CO-ADD:0255329,-8.98,c1(C(OC)=O)c2c(n(C)c1C(=O)c3ccc(cc3)Br)cccc2,0.0
77842,CO-ADD:0250303,-8.98,N1(c2ccccc2[N+](=O)[O-])C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(cc4)OC,0.0
77843,CO-ADD:0256583,-8.99,O1C(C(C)(C)O)Cc(cc(C=CC(=O)O2)c23)c1c3,0.0
77844,CO-ADD:0256951,-8.99,N1(c(ccc(c2s3)nc3SCC(=O)NC(c4ccccc4)c5ccccc5)c2)C(=O)c(c6C1=O)cccc6,0.0
77845,CO-ADD:0257097,-8.99,C12(COc3c(ccc(OC(C)=O)c3)C1(C)C)COc4c(ccc(OC(C)=O)c4)C2(C)C,0.0
77846,CO-ADD:0256627,-8.99,C(=O)(c1cccc(I)c1)NNC(=O)c2cccc(C)c2,0.0
77847,CO-ADD:0255699,-8.99,C(/c(cccc1)c1CC23CCCCC2)(=N\c(cc4)ccc4C(OCC)=O)\N3,0.0
77848,CO-ADD:0253275,-8.99,n1(C(=O)C(CC2)CCN2S(=O)(=O)c3ccc(cc3)C)c(c4ccccc4)cc(c5ccccc5)n1,0.0
77849,CO-ADD:0256706,-8.99,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(C)=O)n1,0.0
77850,CO-ADD:0249942,-8.99,C1(C#N)=C(N)Oc(ccc(cccc2)c23)c3C1c4ccc(cc4)OC,0.0
77851,CO-ADD:0256194,-8.99,s1c(c2ccc(cc2)Br)nnc1NC(=O)c(cc3)ccc3C(C)(C)C,0.0
77852,CO-ADD:0256131,-8.99,c1(ccc(cc1OC(=O)c2ccc(cc2)OCCCCCCCCCC)OC)C(c3ccccc3)=O,0.0
77853,CO-ADD:0257401,-8.99,c12c(nnc(S)n1)c3c(cccc3)n2Cc4ccccc4,0.0
77854,CO-ADD:0257505,-9.0,S(=O)(=O)(N(CC(C)C)CC(C)C)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c(ccc(c2[N+](=O)[O-])N(CC3)CCO3)c2,0.0
77855,CO-ADD:0257537,-9.0,C(/S1)(\C(Cl)=C(S1)c2ccccc2)=N\S(c3ccccc3)(=O)=O,0.0
77856,CO-ADD:0258026,-9.0,N1=C(c2ccccc2)c(cccc3)c3C(=O)N1CCc4ccccn4,0.0
77857,CO-ADD:0249788,-9.0,N1(c2ccc(cc2)I)C(c3cccc(Br)c3)Nc(c4C1=O)cccc4,0.0
77858,CO-ADD:0249456,-9.0,N1(NC(=O)c(cccc2N3C(=O)c4c(cc(cc4)Oc(cccc5[N+](=O)[O-])c5)C3=O)c2)C(=O)c6c(cccc6)C1=O,0.0
77859,CO-ADD:0254745,-9.0,C1(C(OCCOCC)=O)=C(C)Nc(c2S1)cccc2,0.0
77860,CO-ADD:0254724,-9.0,n1c(N)c(C#N)cc(C#N)c1SCC(=O)c(cc2)ccc2c3ccccc3,0.0
77861,CO-ADD:0254712,-9.0,n1(CC(=O)N\N=C\c(cc2OC)cc(c2OCC#C)I)nnnc1N,0.0
77862,CO-ADD:0284006,-9.0,C(C(OCCC)=O)(C1c(cc2)ccn2)=C(C)NC(CC(c3ccc(cc3)OC)CC4=O)=C14,0.0
77863,CO-ADD:0284030,-9.01,N1(C)\C(=N/C)\S\C(=C/c(cc(Cl)cc2Cl)c2OC)\C1=O,0.0
77864,CO-ADD:0278940,-9.01,[N+](=O)([O-])c1c(OC)ccc(c1)\C=C(/C2)\C(=O)\C(\CC2C(C)(C)C)=C\c(ccc(c3[N+](=O)[O-])OC)c3,0.0
77865,CO-ADD:0284117,-9.01,c1(C(c2ccccc2)=O)cc3c(ccc(c3)N=Nc4ccccc4)o1,0.0
77866,CO-ADD:0283382,-9.01,N(=C1SCC(=O)Nc2cccc(cccc3)c23)C(=O)C(C(=O)N1)Cc4ccccc4,0.0
77867,CO-ADD:0284297,-9.01,N1(Nc2cc(Br)ccc2C(CC)=O)c3c(C(=O)C1(C)OCC)ccc(Br)c3,0.0
77868,CO-ADD:0283152,-9.01,C1(C(c2ccccc2)Oc3c(cccc3)N1)(C=C4C(C)(C)C)C=C(C4=O)C(C)(C)C,0.0
77869,CO-ADD:0284033,-9.01,C(=CC(\C=C\c(ccc(c1OC)OCC(OCC)=O)c1)=NC2=O)(C(F)(F)F)N2,0.0
77870,CO-ADD:0278465,-9.01,n1c(c2ccc(cc2)Cl)csc1\C(\C#N)=N\Nc(cc3)ccc3C,0.0
77871,CO-ADD:0278505,-9.01,C(C#N)(C(c1ccc(cc1)C)c(ccc(c2)N)c2O3)=C3N,0.0
77872,CO-ADD:0277559,-9.01,N1(c2ccc(cc2)OC)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
77873,CO-ADD:0277664,-9.01,N1(c2ccc(cc2)OCCCC)C(=O)C(CC1=O)NCCc(ccc(c3OC)OC)c3,0.0
77874,CO-ADD:0277816,-9.01,N1(C2c3cccs3)C(S\C(=C\c(cc4OCC)cc(c4O)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
77875,CO-ADD:0260029,-9.02,C(=N/CC=C)(/SCc1ccccc1)\N2CCCC2.Br,0.0
77876,CO-ADD:0283275,-9.02,C(=O)(C(c1ccccc1)c2ccccc2)NCC(CC3)(CCO3)c4ccc(c(OC)c4)OC,0.0
77877,CO-ADD:0284541,-9.02,c12c(c(cc(Oc3c(ccc(Cl)c3)N4)c14)Nc5ccccc5)C(c(cccc6)c6C2=O)=O,0.0
77878,CO-ADD:0253606,-9.02,C(=S)(c(cc1)cc(c1OC(=O)c2ccc(cc2)Br)OCC)N3CCCCC3,0.0
77879,CO-ADD:0253783,-9.02,n1(c2ccccc2)c(SCC3=Nc(cccc4)c4C(=O)N3c5ccc(cc5)CC)nnc1c6cccc(Br)c6,0.0
77880,CO-ADD:0253431,-9.03,n1c(N(CC2)CCO2)nc(nc1N3CCCC3)N\N=C/c(cc4)ccc4Oc5ccccc5,0.0
77881,CO-ADD:0256581,-9.03,c12c(ccc(C=CC(=O)O3)c13)OC(C(OC(C)=O)C2OC(=O)\C(\C)=C\C)(C)C,0.0
77882,CO-ADD:0256589,-9.03,n1(CC(O)=O)c(c2ccccc2)cc3c1CC(C)(C)CC3=O,0.0
77883,CO-ADD:0256068,-9.03,c1(Nc(cc2)ccc2OC)nc(N\N=C\c3cc(Br)ccc3O)nc(NCc4ccco4)n1.Cl,0.0
77884,CO-ADD:0255490,-9.03,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(c(OC)c3)OC)c4sc(c5c4C#N)CCCC5,0.0
77885,CO-ADD:0255971,-9.03,N1(c2ccc(cc2)OC)C(=O)c(c3C1=O)ccc(OC)c3OC,0.0
77886,CO-ADD:0255494,-9.03,C1(C(=O)OCC(F)(F)F)=C(C)NC(NC1c2ccccc2OCCCC)=O,0.0
77887,CO-ADD:0250449,-9.03,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c3cc(Br)ccc3OC(C)C,0.0
77888,CO-ADD:0255286,-9.03,n1c(Nc(cc2)ccc2C(C)=O)nc(c([N+](=O)[O-])c1Nc(cc3)ccc3OCC)C,0.0
77889,CO-ADD:0256381,-9.03,n1(\N=C\c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2O)nnnc1N,0.0
77890,CO-ADD:0257395,-9.03,c1(C#N)c2c(sc1\N=C\c3cc(Br)ccc3OCc4ccccc4)CCCC2,0.0
77891,CO-ADD:0257771,-9.03,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(cc3)ccc3OCC(C)C)\N2,0.0
77892,CO-ADD:0257806,-9.04,c1(N\N=C/c(ccc(c2[N+](=O)[O-])N3CCC(CC3)C)c2)nncn1N.Cl.Cl,0.0
77893,CO-ADD:0283259,-9.04,C(CCCC)(CC(=O)Nc(cc1)ccc1CC)(C(=O)N(N2c3ccccc3)c4ccccc4)C2=O,0.0
77894,CO-ADD:0284212,-9.04,C(C1Cl)(c(cc(Cl)cc2Cl)c23)C(CC1Sc4ccccc4[N+](=O)[O-])C(N3)c5ccccc5,0.0
77895,CO-ADD:0283660,-9.04,c(cc1c2ccccc2)(c3c(n1)ccc(Cl)c3)C(=O)Nc4ccccc4OC,0.0
77896,CO-ADD:0249441,-9.04,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cc3)ccc3C(OCCCCCC)=O,0.0
77897,CO-ADD:0249093,-9.04,c1(C(OCC)=O)c(C)c(c(COC(C)=O)[nH]1)CC,0.0
77898,CO-ADD:0254734,-9.04,C(C(=O)OC(C)C)(C(c(cc1OC)cc(c1O)Br)N2)=C(C)N(C2=O)CC,0.0
77899,CO-ADD:0254774,-9.04,n1nc(Cl)c(c2c1N\N=C\c(ccc(c3C)O)c3O)cccc2,0.0
77900,CO-ADD:0255028,-9.04,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(=O)N\N=C\c(ccc(c34)OCO3)c4,0.0
77901,CO-ADD:0249571,-9.04,N1(c2ccccc2)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
77902,CO-ADD:0278965,-9.04,n1c(c(cc2)ccc2C3CCCCC3)csc1Nc(cccc4C(F)(F)F)c4.Br,0.0
77903,CO-ADD:0283312,-9.05,n(c1ccccc1)(c2C)c(C)cc2\C=C(\NC(N3)=O)/C3=O,0.0
77904,CO-ADD:0284088,-9.05,C(O)(=O)C(c1ccccc1)Cc2cccs2,0.0
77905,CO-ADD:0279184,-9.05,c1(ccc[nH]1)\C=N\c(cc2)ccc2C(C)=O,0.0
77906,CO-ADD:0279200,-9.05,N1(C(=O)COc2ccccc2)N=C(CC1(O)c(cccn3)c3)C,0.0
77907,CO-ADD:0278711,-9.05,C(/C#N)(=C/c1ccc(c(cccc2)c12)OCC)\C(=O)Nc(cc3)ccc3OC,0.0
77908,CO-ADD:0283202,-9.05,c1(N(CC2)CCO2)nc(NNC(=O)c3ccccc3Cl)cc(N(CC4)CCO4)n1,0.0
77909,CO-ADD:0284042,-9.05,c1(nnc(COc(cc2)ccc2C(C)(C)C)s1)NC(=O)c3ccc(cc3)Cl,0.0
77910,CO-ADD:0283098,-9.05,C(=N/c1ccccc1O)(/C(=O)c(c23)cccc2)\C3=O,0.0
77911,CO-ADD:0283451,-9.05,n(c1c(n2)cccc1)(c3N)c2c(c(c4cccc(Cl)c4Cl)c3C#N)C#N,0.0
77912,CO-ADD:0283739,-9.05,C(=C/c(ccc1c(cccc2C(F)(F)F)c2)o1)(/C(=O)N3C)\C(=O)N(C3=S)C,0.0
77913,CO-ADD:0283579,-9.05,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)NC(C)c4ccccc4)c1Br,0.0
77914,CO-ADD:0258711,-9.05,S(c1ccccc1)(=O)(=O)Nc2cc(cccc3)c3cc2C(=O)Nc(cc4)ccc4Cl,0.0
77915,CO-ADD:0259232,-9.05,c1(OC(N)=C(C2c3ccc(c(OC)c3)OC)C#N)c2c(n[nH]1)CCC,0.0
77916,CO-ADD:0258673,-9.06,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c(cc2)cc(c2OC(c3ccccc3)=O)OCC,0.0
77917,CO-ADD:0258689,-9.06,C12(c3c(cccc3)C(=NN1c4ccccc4)c5cc(C)ccc5C)SC(=NN2c6ccc(cc6)C)C(OCC)=O,0.0
77918,CO-ADD:0258714,-9.06,N1C(=O)\C(\SC1=S)=C\c(ccc(c2OCc(cc3)ccc3Cl)OC)c2,0.0
77920,CO-ADD:0256116,-9.07,c12c(non1)nc(Nc(cc3)ccc3I)c(N\N=C\c(ccc(c4[N+](=O)[O-])N(CC5)CCO5)c4)n2,0.0
77921,CO-ADD:0255493,-9.07,C1(C(=O)OCC(Cl)(Cl)Cl)=C(C)NC(=O)NC1c2ccccc2,0.0
77922,CO-ADD:0257111,-9.07,C(=O)(C(C)Oc1ccc(cc1Cl)Cl)NNC(=O)c2ccc(cc2)F,0.0
77923,CO-ADD:0257143,-9.07,c12c(nnc(SCCCCC(=O)Nc3cccc(cccc4)c34)n1)c5c(cccc5)n2C,0.0
77924,CO-ADD:0256495,-9.07,n1(c2c(n3)cccc2)c3S\C(=C/c4cccc(OC)c4OCC(O)=O)\C1=O,0.0
77925,CO-ADD:0253821,-9.07,N1(c2ccc(cc2)Cl)C(=O)C3C(CC(C=C3C)C(CC(N4c5ccc(cc5)Cl)=O)C4=O)C1=O,0.0
77926,CO-ADD:0250214,-9.07,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(c(OCC)c3)OCc4ccccc4)c5c(C)nn(c6ccccc6)c5O,0.0
77927,CO-ADD:0250369,-9.07,c1(c[nH]nc1c2ccccc2)\C=N\n(c3)cnn3,0.0
77928,CO-ADD:0250433,-9.07,n12c(S\C(=C\C=C\c3ccccc3)\C1=O)nc(cc(C)c(C)c4)c24,0.0
77929,CO-ADD:0253286,-9.07,c1(C#N)c(SC)nsc1N\N=C\c2ccccc2OC,0.0
77930,CO-ADD:0256313,-9.07,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Br)CC(=O)N(CC3)CCN3c4ccccc4OC,0.0
77931,CO-ADD:0253811,-9.07,c1(C(=O)N\N=C\c(cc2)ccc2C(C)C)c(C)nc3n1ccs3,0.0
77932,CO-ADD:0252872,-9.08,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C(/C)\c(cc3)ccc3c4ccccc4)c5nonc5N,0.0
77933,CO-ADD:0254897,-9.08,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(C)o5,0.0
77934,CO-ADD:0255207,-9.08,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cc3OC)cc(c3OC)OC)c4sc(c5c4C#N)CCCCC5,0.0
77935,CO-ADD:0253031,-9.08,C(=O)(Nc(cccc1\C=C\C(c2ccccc2)=O)c1)c(cc(cc3C(=O)Nc(cccc4\C=C\C(c5ccccc5)=O)c4)NC(=O)C(C)(C)C)c3,0.0
77936,CO-ADD:0249209,-9.08,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=C(\C3=O)/N=C(O3)c(cc4)ccc4C(C)(C)C,0.0
77937,CO-ADD:0254359,-9.08,C(C(OCC)=O)(C1c2ccc(c3c2)OCO3)=C(N)N(C(CCCC4=O)=C14)c(cc5)ccc5S(N)(=O)=O.C(=O)O,0.0
77938,CO-ADD:0247440,-9.08,C(=O)(N\N=C(\CC)/Cc1ccccc1)c(cccn2)c2,0.0
77939,CO-ADD:0254616,-9.08,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C/c4c5c(cccc5)cc(cccc6)c46)\C1=O)=NC(C)=C2C(OCC)=O,0.0
77940,CO-ADD:0249080,-9.08,c1(cc(Cl)ccc1N(CC2)CCN2Cc3ccccc3)[N+](=O)[O-],0.0
77941,CO-ADD:0247744,-9.08,S(NCCCN(C)C)(=O)(=O)c(cc1)ccc1N2CCC(c3ccc(cc3)Cl)=N2,0.0
77942,CO-ADD:0254654,-9.09,C1(c2ccccc2C)=Nc(c3C(=O)O1)ccc(C)c3,0.0
77943,CO-ADD:0254296,-9.09,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc2c(cc3)ccc3[N+](=O)[O-])o2)c4cc(C)ccc4C,0.0
77944,CO-ADD:0247461,-9.09,c12c(cccn1)cccc2N\N=C/c3cccc(Cl)c3,0.0
77945,CO-ADD:0283959,-9.09,C(CO)(CO)(CO)C(NCCOc1cccc(cccc2)c12)=O,0.0
77946,CO-ADD:0284888,-9.09,N1(C(C)OC)C=C(Br)C(NC1=O)=O,0.0
77947,CO-ADD:0283928,-9.09,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(NCCOc(cc2)ccc2OC)=O,0.0
77948,CO-ADD:0284720,-9.09,C(N(CC)C(C)=O)(C(=O)c1c(C2=O)cccc1)=C2N(CC3)CCO3,0.0
77949,CO-ADD:0283889,-9.09,N1(CNc(ccc(c2Cl)C)c2)C(=S)OC(c3ccccc3Cl)=N1,0.0
77950,CO-ADD:0278808,-9.09,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(cc3)ccc3N(C)C)\C1=O)C,0.0
77951,CO-ADD:0283772,-9.1,N1(CCN(C(C)=O)C1c2ccc(c(OC)c2)O)S(=O)(=O)c3ccc(cc3)C,0.0
77952,CO-ADD:0283572,-9.1,N1(c2c(cccc2)C(OC1c3ccc(cc3)OC)=O)C(=O)c4cc5c(ccc(Br)c5)o4,0.0
77953,CO-ADD:0278668,-9.1,C(/C(C)=C1)(=N\C(=O)c2ccc(cc2)C)\C=C(C1=O)C(C)C,0.0
77954,CO-ADD:0278645,-9.1,C(=C/c(ccc1c2cc(Cl)cc(Cl)c2)o1)(/C3=O)\C(=O)NC(=O)N3,0.0
77955,CO-ADD:0283535,-9.1,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(=O)Nc3cccc(cccc4)c34,0.0
77956,CO-ADD:0278726,-9.1,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
77957,CO-ADD:0258731,-9.1,n1(Cc2c(cccc2Cl)Cl)c(cccc3)c3c(nc4c(cccc4)n5)c15,0.0
77958,CO-ADD:0258747,-9.1,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(=O)NCc5ccccc5)c3)sc(c6n1)cccc6,0.0
77959,CO-ADD:0259155,-9.1,C(C(=O)OC1CCCCC1)(C2c(cc3)ccc3N(C)C)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
77960,CO-ADD:0259187,-9.1,N1(Cc2ccccc2)C(=S)SC(C)(C)C1\[N+](\[O-])=C\c(cccc3[N+](=O)[O-])c3,0.0
77961,CO-ADD:0277973,-9.1,N1(c(ccc(c2s3)nc3SCc4ccccc4)c2)C(=O)c(c5C1=O)cccc5,0.0
77962,CO-ADD:0252439,-9.11,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C(\C2)/CCCC2)c3ccccc3[N+](=O)[O-],0.0
77963,CO-ADD:0253143,-9.11,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c(cc(I)cc2I)c2OC)F,0.0
77964,CO-ADD:0252753,-9.11,c1(cn(nc1C#N)C)[N+](=O)[O-],0.0
77965,CO-ADD:0248137,-9.11,c12c(nnc(SCC(=O)Nc3cccc(NC(CSc(nnc(c45)c6c(cccc6)n4CC)n5)=O)n3)n1)c7c(cccc7)n2CC,0.0
77966,CO-ADD:0247410,-9.11,c1(ON=C(N2)c(cccc3[N+](=O)[O-])c3)c2c(C)ccc1[N+](=O)[O-],0.0
77967,CO-ADD:0252893,-9.12,C1(CC1)NC(CCCc2ccccc2)=O,0.0
77968,CO-ADD:0254483,-9.12,C(=O)(N\N=C\c(cc1)ccc1N(CC)CC)C(Cc2ccccc2)Cc3ccccc3,0.0
77969,CO-ADD:0247834,-9.12,c1(c2ccccc2)[nH]c(c3c1\C=N\NC(COc(cc4)ccc4CCC)=O)cccc3,0.0
77970,CO-ADD:0250039,-9.12,N(c1ccccc1)(CC2)CCN2CC(=O)Nc(cc3)ccc3C(N)=O,0.0
77971,CO-ADD:0250465,-9.12,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(cc(n5c6ccc(cc6)C)C)c5C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
77972,CO-ADD:0253840,-9.12,[N+](=O)([O-])c(ccc(c1\C=N\Nc2nc(C)cc(COC)c2C#N)O)c1,0.0
77973,CO-ADD:0256176,-9.12,C1(=O)C(C(N)=O)=C(C)C=C(C)N1c2ccccc2F,0.0
77974,CO-ADD:0249949,-9.12,c1(O2)c(c([nH]n1)C)C(C(C#N)=C2N)c3ccc(cc3)OC,0.0
77975,CO-ADD:0250256,-9.13,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4OC)cc(c4OCc5ccccc5Cl)I)\C1=O,0.0
77976,CO-ADD:0256781,-9.13,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(c6[nH]5)cccc6,0.0
77977,CO-ADD:0253435,-9.13,C(=C/c(cc(Br)c(c1[N+](=O)[O-])O)c1)(/C2=O)\C(=O)NC(=O)N2,0.0
77978,CO-ADD:0256748,-9.13,c(C#N)(c(N([H])[H])n(n1)CCO[H])c1\C(\C#N)=C\c(cc2)ccc2SC,0.0
77979,CO-ADD:0250043,-9.13,n1(nnc(C(OCC)=O)c1CN(C)Cc2ccccc2)c3nonc3N,0.0
77980,CO-ADD:0256826,-9.13,S(=O)(=O)(c1ccc(cc1)C)N(c2ccccc2C)CC(=O)N(CC3)CCN3c4ccccc4,0.0
77981,CO-ADD:0257004,-9.13,C1(=S)NC(NN1c2ccc(cc2)C)(C)CCCC,0.0
77982,CO-ADD:0248839,-9.13,[n+]1(ccccc1C)CCCCCCCCCC[n+]2ccccc2C,0.0
77983,CO-ADD:0252367,-9.14,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(/CC2)\C=C([C@]23C)CCC(C3CC4)C5[C@@]4(C)C(CC5)O)[N+](=O)[O-],0.0
77984,CO-ADD:0255143,-9.14,n1c(C)c(sc1N\N=C(/C)\c(cc2)ccc2[N+](=O)[O-])C,0.0
77985,CO-ADD:0252361,-9.14,C(=C/C(CC)=O)(/Sc(c12)ccc(cccc3)c13)\N2C,0.0
77986,CO-ADD:0248948,-9.14,c12c(nnc(SCC=C)n1)c3c(cccc3)n2CC=C,0.0
77987,CO-ADD:0247638,-9.14,P(C(C)C)(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,0.0
77988,CO-ADD:0249756,-9.14,n1(nnc(C(=O)N\N=C\c(ccc(c2OC)OC)c2)c1c(cccc3[N+](=O)[O-])c3)c4nonc4N,0.0
77989,CO-ADD:0249573,-9.14,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
77990,CO-ADD:0247755,-9.14,c1(c2ccccc2)nn[nH]c1\C=N\NC(COc3ccccc3C)=O,0.0
77991,CO-ADD:0247697,-9.14,C([P+](c1ccccc1)(c2ccccc2)c3ccccc3)(C(=O)N4)=C(S)N=C4c5ccc(cc5Cl)Cl.[Cl-],0.0
77992,CO-ADD:0249774,-9.14,C(=C\c(ccc(c1OC)OCC)c1)(/C2=O)\Sc(c23)cccc3,0.0
77993,CO-ADD:0137597,-9.14,CN1C=C(NC(C2=CC=C(/C=C/C3=CN=C(C=CC=C4)C4=C3)C=C2)=O)C=C1C(NC5=CN(C)C(C(NCCN6CCC(CC6)OC)=O)=C5)=O,0.0
77994,CO-ADD:0278233,-9.14,N1(CC(CC1=O)C(=O)Nc2sccn2)c3cccc(Cl)c3C,0.0
77995,CO-ADD:0278297,-9.14,N(CN(CC1)CCO1)(N=C(N2c3ccccc3)Cc4ccccc4)C2=S,0.0
77996,CO-ADD:0278633,-9.14,n(c1C)(nnc1C(=O)N2CCCCC2)c3nonc3N,0.0
77997,CO-ADD:0277818,-9.14,N1(C2c3ccccc3)C(S\C(=C\c(cc4OCC)cc(c4O)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
77998,CO-ADD:0277546,-9.14,C(=O)(Nc(cc1)ccc1OCCCCC)C(=O)NCC(C)C,0.0
77999,CO-ADD:0284823,-9.15,N1(c(cc2)ccc2C(=O)Nc3ccc(cc3C(O)=O)Cl)C(=O)c4c(c(ccc5[N+](=O)[O-])C1=O)c5ccc4,0.0
78000,CO-ADD:0283536,-9.15,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(=O)Nc3cccc(OC)c3,0.0
78001,CO-ADD:0283576,-9.15,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(NCCOC)=O)c1Br,0.0
78002,CO-ADD:0283529,-9.15,C(=O)(c1cccc(c1)C#Cc2ccccc2)N(CC3)CCN3c4ccccc4F,0.0
78003,CO-ADD:0278426,-9.15,C1(C#N)=C(SCC(=O)Nc(cc2)ccc2Br)NC(=O)CC1c3ccccc3OC,0.0
78004,CO-ADD:0283710,-9.16,c1(ccccc1OC)NN.Cl,0.0
78005,CO-ADD:0283462,-9.16,C1(C#N)=C(C)C=C(NC1=O)C(F)(F)F,0.0
78006,CO-ADD:0278127,-9.16,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c(cc3)ccc3c4ccccc4)\N2CCc(cc5)ccc5S(N)(=O)=O.Br,0.0
78007,CO-ADD:0278025,-9.16,C(=O)(NC(C)C)C(=O)NCc(ccc(c12)OCO1)c2,0.0
78008,CO-ADD:0277705,-9.16,N(c1c2cccc1C)=C(c3ccc(cc3)F)OC2=O,0.0
78009,CO-ADD:0277721,-9.16,n1(c2c(n3)cccc2)c3S\C(=C/c(ccc4c(cc5Cl)c(OC)cc5[N+](=O)[O-])o4)\C1=O,0.0
78010,CO-ADD:0278154,-9.16,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)NCc4ccco4)n2,0.0
78011,CO-ADD:0277380,-9.16,c12c(c(cc(N3CCCCCC3)c1N)O)C(c4c(cccc4)C2=O)=O,0.0
78012,CO-ADD:0247819,-9.16,c(cc(I)cc1I)(\C=N\c2ccc(cc2N=Nc(cc3)ccc3C)C)c1O,0.0
78013,CO-ADD:0253026,-9.17,N1(C(=O)c2ccccc2[N+](=O)[O-])N=C(CC1(O)c(cccn3)c3)C(F)(F)F,0.0
78014,CO-ADD:0255173,-9.17,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4\C(=N\c5cccc(F)c5)\C1=O,0.0
78015,CO-ADD:0254474,-9.17,S(=O)(=O)(c1ccc(cc1)C)c2c(N)ccc(N)c2,0.0
78016,CO-ADD:0252407,-9.17,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C\c4cc(I)cc(I)c4OCc5ccccc5)nc(Nc(cc6)ccc6C)n1.Cl,0.0
78017,CO-ADD:0247355,-9.17,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
78018,CO-ADD:0252993,-9.17,c1(NC(CSc2oc(c3n2)cccc3)=O)sc4c(ccc(C)c4)n1,0.0
78019,CO-ADD:0255277,-9.17,C(C(=O)c1ccc(cc1)OC)(C2c3ccccc3)=C(O)C(N2c(cc4)ccc4C(O)=O)=O,0.0
78020,CO-ADD:0255402,-9.17,C(=C\c(ccc1c2ccc(cc2[N+](=O)[O-])Cl)o1)(/C(=O)NC(N3)=S)\C3=O,0.0
78021,CO-ADD:0253240,-9.17,C(C(OCC)=O)(C1c2ccc(cc2)Cl)=C(C)N(C(C)=C1C(OCC)=O)c3ccc(cc3)OCC,0.0
78022,CO-ADD:0250674,-9.17,C1(Cl)(Cl)C(C1CCC(C2C(=O)Nc3ccc(cc3C)C)C24)CC4,0.0
78023,CO-ADD:0250667,-9.17,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(Br)s3)c4sc(c5c4C#N)CCCCC5,0.0
78024,CO-ADD:0256573,-9.17,c(cc1C)(c(C)cn1)Cc2ccc(cc2C)C,0.0
78025,CO-ADD:0256026,-9.17,C(=O)(N\N=C\c(ccc(c1OC)O)c1)CN(CC)c2ccccc2,0.0
78026,CO-ADD:0250334,-9.17,S(c1ccccc1)(=O)(=O)N(CC(NCCSc2sc(c3n2)cccc3)=O)c4cc(C)cc(C)c4,0.0
78027,CO-ADD:0257173,-9.17,c1(N(CC2)CCN2c3cccc(Cl)c3)nc(OCC#C)nc(Nc(cc4)ccc4Br)n1,0.0
78028,CO-ADD:0253995,-9.17,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccc(cc3)F,0.0
78029,CO-ADD:0256256,-9.17,c1(NC(=O)CN2CCCCC2)nnc(SCC(=O)Nc(cc3)ccc3C(C)=O)s1,0.0
78030,CO-ADD:0253808,-9.17,c1(C(=O)N\N=C\c(ccc2c3ccc(cc3)Cl)o2)c(C)[nH]c(C(OCC)=O)c1C,0.0
78031,CO-ADD:0254557,-9.18,N1(C2c3ccc(cc3)OC)C(S\C(=C\c4ccccc4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78032,CO-ADD:0247668,-9.18,C(CC1)CCN1CCNC(=O)c2ccccc2[N+](=O)[O-].Cl,0.0
78034,CO-ADD:0248900,-9.18,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c4ccccc4Cl)C2,0.0
78035,CO-ADD:0248007,-9.18,c1(OC(=O)C=C2C)c2ccc(OC(=O)c3cc(c4o3)cccc4)c1OC(=O)c5cc(c6o5)cccc6,0.0
78036,CO-ADD:0254504,-9.18,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c5cc(Br)ccc5OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78037,CO-ADD:0249767,-9.18,c12c(non1)nc(NC)c(Nc(cc3)ccc3I)n2,0.0
78038,CO-ADD:0249024,-9.18,N1(c2ccccc2)\C(=N\N=C/c(cc3)ccc3Cl)\SCC1=O,0.0
78039,CO-ADD:0249745,-9.18,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5c(O)ccc(c5)[N+](=O)[O-],0.0
78040,CO-ADD:0249737,-9.18,C(F)(F)(F)c1cccc(c1)\C=N\NC(=O)C(OC)c2ccccc2,0.0
78041,CO-ADD:0249001,-9.18,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)CC)SC(=NN2c6ccccc6[N+](=O)[O-])C(C)=O,0.0
78042,CO-ADD:0248994,-9.19,n(Cc1ccccc1)(nc(c2c3ccccc3)C)c2N,0.0
78043,CO-ADD:0283927,-9.19,n1c(ccc(cccc2O)c12)\C=N\NC(=O)c3ccc(cc3)F,0.0
78044,CO-ADD:0277924,-9.19,N1(CC)C(C)(O)C2(OC1=O)CCCCC2,0.0
78045,CO-ADD:0278117,-9.19,c(ccc1C(c2ccccc2)=O)(C(=O)N3CCCC3)o1,0.0
78046,CO-ADD:0278126,-9.19,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c(cccc3[N+](=O)[O-])c3)\N2CCc(cc4)ccc4S(N)(=O)=O.Br,0.0
78047,CO-ADD:0277751,-9.19,c12c(ccc(OC(CC)C(OCC)=O)c1C)C(C)=C(C(=O)O2)Cc3ccccc3,0.0
78048,CO-ADD:0277345,-9.19,c1(cc(ccc1N(CC2)CCN2CCOC(=O)c3ccc(cc3)Cl)C(F)(F)F)[N+](=O)[O-],0.0
78049,CO-ADD:0278181,-9.19,C(C(=O)OC(C)CC)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4ccc(c5c4)OCO5,0.0
78050,CO-ADD:0278269,-9.19,c1(SCC(=O)Nc2ccccc2OC)sc3c(ccc(c3)NC(=O)c(cc4)ccc4C(C)(C)C)n1,0.0
78051,CO-ADD:0278790,-9.19,c12c(n(c(SCC(O)=O)n1)C)C(N(C)C(=O)N2C)=O,0.0
78052,CO-ADD:0278303,-9.2,S(=O)(=O)(N1CCCCCC1)c(ccc(c2C(=O)Oc(cc3)ccc3OC)Cl)c2,0.0
78053,CO-ADD:0278622,-9.2,N1(c2ccccc2)C(=O)CC(N(CC3)CCN3c4ccccc4OCC)C1=O,0.0
78054,CO-ADD:0278343,-9.2,c1(SCC(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
78055,CO-ADD:0260089,-9.2,C1(C(=O)OC(C)C)=C(C)NC(NC1c2cccc(O)c2)=O,0.0
78056,CO-ADD:0277302,-9.21,N1(Cc(cc2)ccc2S(N)(=O)=O)\C(=N\c(cc3)ccc3F)\SC=C1c(cc4)ccc4c5ccccc5.Br,0.0
78057,CO-ADD:0277801,-9.21,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc4)ccc4N(C)C)\C1=O)=NC(C)=C2C(C)=O,0.0
78058,CO-ADD:0259174,-9.21,C1(C(=O)OC2CCCCCC2)=C(C)NC(NC1c3cccc(Br)c3)=O,0.0
78059,CO-ADD:0258798,-9.21,n1(nnc(C(=O)N\N=C\c(ccc2c3ccc(cc3)Br)o2)c1CN(CC)CC)c4nonc4N,0.0
78060,CO-ADD:0259527,-9.21,n1(C(=O)c2ccc(c(Cl)c2)Cl)c(C)c(c(C)n1)Cl,0.0
78061,CO-ADD:0247900,-9.21,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(cc4OC)OC,0.0
78062,CO-ADD:0247867,-9.21,N(C(=O)\C(\S1)=C/c2cccc(cccc3)c23)=C1N4CCC(CC4)C,0.0
78063,CO-ADD:0254489,-9.21,C12(Cl)C(Cl)(Cl)C(C(Cl)=C1Cl)(CC2S(=O)C=C)Cl,0.0
78064,CO-ADD:0254428,-9.22,c1(\C(\C)=N\Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])c(c3ccccc3)c4c(cccc4)[nH]1,0.0
78065,CO-ADD:0254903,-9.22,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc6c(cc5Br)OCO6,0.0
78066,CO-ADD:0252637,-9.22,[N+](=O)([O-])c1ccc(cc1)\C=C\C=N\c(cc2)ccc2NC3CCCCC3,0.0
78067,CO-ADD:0247910,-9.22,N1(NC(=O)c2cccc(Br)c2)C(=O)C(C3C1=O)C(C=C4)C5(C34)CC5,0.0
78068,CO-ADD:0252450,-9.22,S(N)(=O)(=O)c1ccc(cc1)NC(CSC2=NN=C(C(=O)N2)C)=O,0.0
78069,CO-ADD:0255611,-9.22,c12c(c3c(cccc3)C1=O)nc(ccc(OC)c4)c4n2,0.0
78070,CO-ADD:0256570,-9.22,C1(NC(CSc2nnc(COc3ccccc3)n2c4ccccc4)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
78071,CO-ADD:0256644,-9.22,c(OCc1ccccc1)(c(OCc2ccccc2)c3)c(OCc4ccccc4)cc3C(=O)Nc(cc5)ccc5Nc6ccccc6,0.0
78072,CO-ADD:0256364,-9.22,n1(CC(=O)N\N=C\c(ccc(c2OC)OCC(OCC)=O)c2)nnnc1N,0.0
78073,CO-ADD:0255953,-9.22,S(=O)(=O)(c1ccc(cc1)Sc(cc2)ccc2S(=O)(=O)N(CC3)CCN3C)N(CC4)CCN4C,0.0
78074,CO-ADD:0255808,-9.22,s1c(c(cc2)ccc2C(C)(C)C)nnc1NC(=O)c3ccco3,0.0
78075,CO-ADD:0250109,-9.22,c1(NC(CSc2[nH]c(c3n2)cccc3)=O)sc(c4n1)cccc4,0.0
78076,CO-ADD:0256366,-9.22,n1(CC(=O)N\N=C\c(c(cccc2)c2n3Cc4ccc(cc4Cl)Cl)c3)nnnc1N,0.0
78077,CO-ADD:0256127,-9.22,N(=C(/CC)\c1ccc(cc1)OC)/Nc2cccc(cccn3)c23,0.0
78078,CO-ADD:0256556,-9.22,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc(c5[N+](=O)[O-])Sc6nnc(C)s6)c5,0.0
78079,CO-ADD:0247649,-9.22,C1(c2ccccc2)(c3ccccc3)CC1C(=O)N\N=C/c(ccc(c45)OCO4)c5,0.0
78080,CO-ADD:0255176,-9.22,c1(non2)c2nc(Nc(ccc(c3N4)NC4=O)c3)c(N\N=C\c5cc(I)cc(I)c5OCc6ccc(cc6Cl)Cl)n1,0.0
78081,CO-ADD:0252490,-9.22,N1(CN2CCC(CC2)Cc3ccccc3)c4c(OC1=O)ccc(Cl)c4,0.0
78082,CO-ADD:0255052,-9.22,c(cc1c2ccccc2)(c3c(n1)ccc(Cl)c3)C(=O)Nc(cc4)ccc4C,0.0
78083,CO-ADD:0252829,-9.22,N1(c2ccc(cc2)Cl)C(c(cc3)ccc3C(C)C)Nc(c4C1=O)cccc4,0.0
78084,CO-ADD:0249064,-9.23,c1(SCC(=O)NCc2ccccc2)[nH]c(c3n1)ccc(C)c3,0.0
78085,CO-ADD:0252492,-9.23,c1(CCN2C)c2nc(cccc3)c3c1NC(=O)CN4CCCC4,0.0
78086,CO-ADD:0254782,-9.23,c1(NC(CCC)=O)nnc(CC)s1,0.0
78087,CO-ADD:0254659,-9.23,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
78088,CO-ADD:0247799,-9.23,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=S)N(CC2)CCO2,0.0
78089,CO-ADD:0247845,-9.23,c1(cc(C)ccc1NC(=O)c2ccc(cc2)NC(C)=O)C(O)=O,0.0
78090,CO-ADD:0254628,-9.23,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cc3)ccc3c4ccnc(c(cc5)ccc5NC(=O)C(c6ccccc6)c7ccccc7)n4,0.0
78091,CO-ADD:0277641,-9.23,C1(C)(C(C)(CC)OC2=O)N2CCc(cc(OC)c(OC)c3)c13,0.0
78092,CO-ADD:0277649,-9.23,N(C(=O)COC(=O)C(C(C)C)NC(c1ccccc1)=O)(c2c3cccc2)c4c(S3)cccc4,0.0
78093,CO-ADD:0277346,-9.24,S(C1=S)C(SCC(OC)=O)=C(S1)SCC(N)=O,0.0
78094,CO-ADD:0277362,-9.24,C(/C#N)(=C/c(ccc1c2c(Cl)ccc(c2)[N+](=O)[O-])o1)\C(=O)Nc(ccc(c3C)C)c3,0.0
78095,CO-ADD:0278131,-9.24,c1(NC(CSc2ncccn2)=O)sc(c3c1C#N)CCC3,0.0
78096,CO-ADD:0277907,-9.24,c1(Nc2scc(c3ccccc3)n2)nc(Cl)nc(NCc4ccco4)n1,0.0
78097,CO-ADD:0278184,-9.24,C1(c2cccc(Cl)c2)c3c(cccc3)CC(=O)N1,0.0
78098,CO-ADD:0278216,-9.24,c1(SCC(=O)Nc2c(OC)ccc(OC)c2)sc3c(ccc(N)c3)n1,0.0
78099,CO-ADD:0278456,-9.24,C(/S\C(\N1CC)=N/c(cc2)ccc2OC)(=C(/C=Cc(c34)cccc3)\N4CC)\C1=O,0.0
78100,CO-ADD:0284014,-9.25,N12C(S\C(=C\c(ccc(c3OCC)OC)c3)\C1=O)=C(C(c4ccc(c(OCC)c4)OC)C(C#N)=C2N)C#N,0.0
78101,CO-ADD:0279204,-9.25,N1(C(=O)c2cccc(C)c2O)N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
78102,CO-ADD:0283367,-9.25,c1(C(=O)c2ccc(cc2)OC)coc(ccc(O)c3)c13,0.0
78103,CO-ADD:0260127,-9.25,C(F)(F)(F)c(ccc(c1NC(=O)c2ccc(c(OC)c2)OC)OCC)c1,0.0
78104,CO-ADD:0259551,-9.25,C(/S\C(\C1=O)=C/c(ccc2c3ccccc3C(O)=O)o2)(=N\C(C)=O)\N1,0.0
78105,CO-ADD:0259207,-9.25,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(OC)c3)O,0.0
78106,CO-ADD:0259633,-9.25,c1(c2ccccc2Cl)noc(C)c1C(=O)NNC(=O)c3cccc(Br)c3,0.0
78107,CO-ADD:0277931,-9.25,S(c1ccccc1)(=O)(=O)Nc2cccc(c2)NC(C)=O,0.0
78108,CO-ADD:0277955,-9.25,C1(C2c3ccc(cc3)Br)=C(c4c(cccc4)OC1=O)OC(N)=C2c5scc(c6ccccc6)n5,0.0
78109,CO-ADD:0248214,-9.25,N1(c2ccccc2Cl)C(=O)\C(\C=C1c3ccccc3)=C\c(ccc(c4Br)OC)c4,0.0
78110,CO-ADD:0248217,-9.25,N(c1ccc(c(C)c1)C)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
78111,CO-ADD:0253090,-9.25,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccc(cc4)C)n1,0.0
78112,CO-ADD:0247360,-9.25,c12c(cccn1)cccc2SCC(=O)Nc(cc3)ccc3OC,0.0
78113,CO-ADD:0252943,-9.25,S(CCCCCCCCCC)(=O)(=O)N\N=C\c1ccccc1I,0.0
78114,CO-ADD:0247981,-9.26,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc5c6ccccc6C(O)=O)o5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78115,CO-ADD:0247942,-9.26,c1(SCC(NCCc(ccc(c2OC)OC)c2)=O)sc3c(ccc(c3)\N=C\c4ccc(cc4Cl)Cl)n1,0.0
78116,CO-ADD:0254008,-9.26,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc4I)cc(c4OC)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78117,CO-ADD:0250642,-9.26,C(=O)(Nc(cc1)ccc1N(C)C(C)=O)c2ccccc2C(O)=O,0.0
78118,CO-ADD:0250235,-9.26,n1(c2c(n3)cccc2)c3S\C(=C/c(cc(I)c(c4[N+](=O)[O-])O)c4)\C1=O,0.0
78119,CO-ADD:0256721,-9.26,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(=O)Nc3ccccc3Cl)[N+](=O)[O-],0.0
78120,CO-ADD:0256359,-9.26,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c(c3c([nH]4)cccc3)c4,0.0
78121,CO-ADD:0257128,-9.26,c1(c2ccc(OCC(=O)Oc3ccccc3C(OC)=O)c1)OC(C=C2C)=O,0.0
78122,CO-ADD:0256640,-9.26,c1(c2ccccc2)nc(c(cc3)ccc3NC(=O)c4ccc(cc4)NC(C)=O)cc(c(cc5)ccc5NC(=O)c6ccc(cc6)NC(C)=O)n1,0.0
78123,CO-ADD:0250535,-9.26,c1(SCC)nc(c2n1CC(=O)Nc3ccccc3[N+](=O)[O-])cccc2,0.0
78124,CO-ADD:0255989,-9.27,c1(c(Br)cc(cc1\C=N/NC(=O)c(ccc(c23)OCO2)c3)Br)OC(=O)c4cccc(F)c4,0.0
78125,CO-ADD:0256815,-9.27,c1(c2ccc(OCC(=O)c3ccc(cc3)OC)c1)OC(C=C2C)=O,0.0
78126,CO-ADD:0253546,-9.27,S(=O)(=O)(N(CC1)CCN1C)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c3ccccc3N(CCCC4C(=O)N(CC)CC)C4,0.0
78127,CO-ADD:0250481,-9.27,C1(C(OCC=C)=O)=C(C)NC(NC1c2cccc(OC)c2)=O,0.0
78128,CO-ADD:0250466,-9.27,N1(c(cc2)ccc2C(O)=O)C(=O)C(C(C1=O)C3(C)c4c5cccc4)C5(C)c(c36)cccc6,0.0
78129,CO-ADD:0249986,-9.27,N1=C(SCC(c2ccccc2)=O)NC(C(c3ccccc3)C1=O)=O,0.0
78130,CO-ADD:0255821,-9.27,N1(c2c(Cl)ccc(C(O)=O)c2)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
78131,CO-ADD:0255113,-9.28,S(=O)(=O)(c1ccc(cc1)\N=C\c(cc(OCO2)c2c3)c3Br)Nc4ccccn4,0.0
78132,CO-ADD:0249198,-9.28,n12c(cc(c3ccc(cc3)C)n1)nc(c4ccc(cc4)C)cc2N,0.0
78133,CO-ADD:0249653,-9.28,c1(C#N)c2c(sc1\N=C\c3ccccc3OCC(O)=O)CCCC2,0.0
78134,CO-ADD:0249191,-9.28,C(=O)(c1ccc(cc1)OC)NNC(CCC(OC)=O)=O,0.0
78135,CO-ADD:0249564,-9.28,[N+](=O)([O-])c1ccc(cc1)COc2ccc(cc2OCC)\C=N\NC(=O)CC3(C)OCCCO3,0.0
78136,CO-ADD:0249138,-9.28,c1(Sc2ccc(\C=N\NC(=O)c3ccc(cc3Cl)Cl)o2)nnc(c4ccccc4)n1c5ccccc5,0.0
78137,CO-ADD:0248047,-9.28,S(=O)(=O)(c1ccc(cc1)Cl)Nc2c(cccn2)O,0.0
78138,CO-ADD:0254979,-9.28,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Br)CC(NCCSCc(cc3)ccc3Cl)=O,0.0
78139,CO-ADD:0254575,-9.28,C(=O)(N\N=C\c1ccccc1OCc2cccc(OC)c2)C(CC)Oc3cccc(Br)c3,0.0
78140,CO-ADD:0254816,-9.28,C(C(OCC)=O)(C1c(cccn2)c2)=C(CC(OCC)=O)OC(N)=C1C#N,0.0
78141,CO-ADD:0248042,-9.29,S(=O)(=O)(c1ccc(cc1)OCC)N2CCSC2c3ccc(cc3)Cl,0.0
78142,CO-ADD:0249294,-9.29,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(NCCOc3ccccc3C)=O)[N+](=O)[O-],0.0
78143,CO-ADD:0284460,-9.29,N1(c(cc2)ccc2C(O)=O)N=C(CC1=O)C,0.0
78144,CO-ADD:0284658,-9.29,N1(C(=O)c2ccc(cc2)O)N=C(CC1(O)c3ccc(cc3)Cl)C,0.0
78145,CO-ADD:0283898,-9.29,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=S)=C\c3ccc(C)o3,0.0
78146,CO-ADD:0257730,-9.29,c1(N\N=C\c(ccc2c(cccc3[N+](=O)[O-])c3)o2)[nH]c(c4n1)cccc4,0.0
78147,CO-ADD:0257749,-9.29,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc(c4OC)OCc5cccc(cccc6)c56)c4)\C1=O,0.0
78148,CO-ADD:0257214,-9.29,n1(nnc(C(OCC)=O)c1CSc2nnc(N)s2)c3nonc3N,0.0
78149,CO-ADD:0279135,-9.29,N1(CNc2ccccc2C(OCC)=O)c3c(OC1=S)cccc3,0.0
78150,CO-ADD:0278968,-9.3,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(NCCOC)=O)c2cc(C)cc(C)c2,0.0
78151,CO-ADD:0278802,-9.3,[N+](=O)([O-])\C(\C)=C/c(ccc1c(cc2)ccc2C(OCC)=O)o1,0.0
78152,CO-ADD:0278594,-9.3,C12(CCCC1)NN2CCNC(C)=O,0.0
78153,CO-ADD:0278739,-9.3,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)NC(CSc4sc5c(ccc(N)c5)n4)=O)n1,0.0
78154,CO-ADD:0278750,-9.3,N1(CC=C)C(=O)\C(\SC1=S)=C/c(ccc2c(cc3)ccc3C(OCC)=O)o2,0.0
78155,CO-ADD:0277511,-9.3,C(=O)(NC1CC1)C(=O)Nc(cc2)ccc2OCCCCC,0.0
78156,CO-ADD:0260133,-9.3,C(F)(F)(F)c(ccc(c1NC(=O)c2ccc(cc2)Br)OCc3ccccc3)c1,0.0
78157,CO-ADD:0260165,-9.3,N1(c2ccc(cc2)C)CC(CC1=O)C(NCC)=O,0.0
78158,CO-ADD:0260167,-9.3,N1(c(cc2)ccc2C(OCC)=O)C(c3ccc(cc3)OCC(C)C)Nc(c4C1=O)cccc4,0.0
78159,CO-ADD:0259604,-9.3,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)c4ccccc4OC)n1,0.0
78160,CO-ADD:0259306,-9.3,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)F)c4sc(c5c4C#N)CCCC5,0.0
78161,CO-ADD:0252923,-9.3,c1(C(OCC)=O)[nH]c(c(\C(\Cl)=C\CCCCCCCC)c1C)C,0.0
78162,CO-ADD:0247368,-9.3,c1(\N=C\c(cc2)ccc2Cl)c(c3ccc(c(OCC)c3)O)nc(cccc4)n14,0.0
78163,CO-ADD:0252994,-9.3,c1(N(CCCC)CCCC)nc(Cl)nc(Nc2ccc(cc2OC)OC)n1,0.0
78164,CO-ADD:0248148,-9.3,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc(cccc4C(F)(F)F)c4)n2,0.0
78165,CO-ADD:0247597,-9.31,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(C(C)(C)C)s4,0.0
78166,CO-ADD:0254905,-9.31,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc(c4[N+](=O)[O-])N(C)C)c4,0.0
78167,CO-ADD:0247535,-9.31,n1(nnc(C(=O)N\N=C\c2cccc(F)c2)c1CN3CCCC3)c4nonc4N,0.0
78168,CO-ADD:0247559,-9.31,c1(NC(=O)c2ccc(cc2)Cl)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3,0.0
78169,CO-ADD:0253512,-9.32,[B-]1(c2ccccc2)(c3ccccc3)Oc(ccc(c4N)C#N)c4C(C)=[NH+]1,0.0
78170,CO-ADD:0253818,-9.32,c(C#N)(c1C)c(N)sc1C(=O)N\N=C\c2c(OC)ccc(cccc3)c23,0.0
78171,CO-ADD:0253834,-9.32,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(c(OCC)c3)OC)c4c(C)nn(c5ccccc5)c4O,0.0
78172,CO-ADD:0255775,-9.32,C1(C(=O)OC2CCCCCCC2)=C(C)NC(NC1c3ccccc3F)=O,0.0
78173,CO-ADD:0253494,-9.32,N1(C(=O)c2cccc(Cl)c2)N=C(CC1(O)C(C)(C)C)C(F)(F)F,0.0
78174,CO-ADD:0256789,-9.32,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(=O)Nc2ccccc2Cl,0.0
78175,CO-ADD:0255974,-9.32,C(=C\c(cc1)ccc1F)(/C=C(O2)c3ccccc3)\C2=O,0.0
78176,CO-ADD:0250042,-9.32,n1(nnc(C(OC)=O)c1CSc2ccccn2)c3nonc3N,0.0
78177,CO-ADD:0253889,-9.32,N(CN1CCCc(cc(OC)cc2)c12)(N=C(N3C)c4ccccc4)C3=S,0.0
78178,CO-ADD:0250539,-9.33,C1(CC(=O)c2ccc(cc2)Cl)(NN=C(c3ccccc3)S1)C(F)(F)F,0.0
78179,CO-ADD:0256389,-9.33,c(\C=N\N=C(/N)\SC)(cc(C)cc1C=O)c1O,0.0
78180,CO-ADD:0255985,-9.33,S(=O)(=O)(c1ccc(cc1)F)Nc2ccc(cc2Cl)Cl,0.0
78181,CO-ADD:0250380,-9.33,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2ccccc2OC,0.0
78182,CO-ADD:0255555,-9.33,c1(cc(n2c(cc3)ccc3S(N)(=O)=O)c4ccccc4)c2CC(C)(C)CC1=O,0.0
78183,CO-ADD:0257036,-9.33,n12c(NC(C)=CC1=O)cc(c3cccc(Br)c3)n2,0.0
78184,CO-ADD:0257060,-9.33,C(=O)(Nc(ccc(c1Cl)F)c1)C2CC=CCC2C(O)=O,0.0
78185,CO-ADD:0249939,-9.33,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)c3ccc(cc3)F)c4ccccc4,0.0
78186,CO-ADD:0247454,-9.34,N1(C(C)(C)CO)CC1C(OCCCCCC)=O,0.0
78187,CO-ADD:0254886,-9.34,n1(c2c(n3)cccc2)c3S\C(=C/c(c(OC)ccc4N(CC)CC)c4)\C1=O,0.0
78188,CO-ADD:0254784,-9.34,C(C(OCC)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
78189,CO-ADD:0254436,-9.34,N(/C(N)=S)=C(\CC1)/C(/CC1)=C(/C2)\CCCC2,0.0
78190,CO-ADD:0249354,-9.34,S(=O)(=O)(c1ccc(cc1)OCCCC)N2CCCCCC2,0.0
78191,CO-ADD:0254552,-9.34,N1(c2ccc(c(I)c2)C)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
78192,CO-ADD:0254967,-9.34,[C@]1(C#N)(C#N)[C@@H](c2ccccc2Br)[C@@H](N3[C@@]1([H])c4c(cccc4)C=C3)C(=O)C56CC7CC(CC(C7)C5)C6,0.0
78193,CO-ADD:0252590,-9.34,[N+](=O)([O-])c1ccccc1C(=O)Oc(cc2)ccc2NC(CCCCCCCCCCC)=O,0.0
78194,CO-ADD:0254608,-9.34,N1(C2c3ccccc3)C(S\C(=C\c(ccc4c5ccc(cc5)Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78195,CO-ADD:0249539,-9.35,N(\C(=C/c(cc1)ccc1OCc2ccccc2Cl)\C(O3)=O)=C3c4ccc(cc4)C,0.0
78196,CO-ADD:0249081,-9.35,c1(cc(ccc1O)\N=C\c(cccn2)c2)C(O)=O,0.0
78197,CO-ADD:0255019,-9.35,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(ccc3c4ccc(cc4)Br)o3)\N2CC=C,0.0
78200,CO-ADD:0258588,-9.35,C(=N/c1ccccc1)(/SC=C2c(cc3)ccc3c4ccccc4)\N2CCO.Br,0.0
78201,CO-ADD:0284900,-9.36,N(C(=O)c(cccc1NC(=O)c2cccc(OCCC)c2)c1)c3sccn3,0.0
78202,CO-ADD:0284668,-9.36,c1(SCC(=O)Nc(cc2)ccc2OC)sc3c(ccc(c3)NC(C4CCCCC4)=O)n1,0.0
78203,CO-ADD:0258763,-9.36,C(=O)(N\N=C\c1ccco1)C(=O)N2CCCCCC2,0.0
78204,CO-ADD:0257727,-9.36,c1(OCc2ccc(cc2Cl)Cl)c(OC)cc(cc1Br)\C=N\NC(=O)CC3(C)OCCCO3,0.0
78205,CO-ADD:0257375,-9.36,c(C#N)(c(N([H])[H])n(n1)CCO[H])c1\C(\C#N)=C\c(cc2)ccc2C(C)C,0.0
78206,CO-ADD:0257672,-9.36,S1(=O)(=O)c(cccc2)c2C(N(C)c3ccc(cc3)OC(=O)c4ccccc4OC)=N1,0.0
78207,CO-ADD:0257680,-9.36,n1(Cc2ccccc2Cl)c3c(nc1S)cccc3,0.0
78208,CO-ADD:0257208,-9.36,N1(C(c(cccc2[N+](=O)[O-])c2)CC(c3cc(C)ccc3C)=N1)c4scc(c5ccc(c(C)c5)C)n4.Br,0.0
78209,CO-ADD:0277325,-9.36,C(C(=O)OCC1CCCO1)(C2c3ccc(cc3)O)=C(C)NC(CCCC4=O)=C24,0.0
78210,CO-ADD:0277565,-9.36,C(C#N)(C1c2ccccc2Cl)=C(SCC(=O)Nc3ccccc3)NC(C)=C1C(C)=O,0.0
78211,CO-ADD:0278240,-9.36,c(NC(=O)c(ccc(c1Br)OC)c1)(sc(c2c3ccc(cc3)OC)c4ccc(cc4)OC)n2,0.0
78212,CO-ADD:0277319,-9.37,N1(c2ccc(cc2)OCCCC)C(=O)CC(N(CC3)CCC3C(O)=O)C1=O,0.0
78213,CO-ADD:0283042,-9.37,n1c(c(cc2)ccc2c3[nH]c(c(c4ccccc4)n3)c5ccc(cc5)F)[nH]c(c6ccc(cc6)F)c1c7ccccc7,0.0
78214,CO-ADD:0279016,-9.37,C(=C/c(ccc(c1OCC)OCc2ccccc2F)c1)(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
78215,CO-ADD:0260146,-9.37,C(=S)(c(ccc(c1OC(CCc2ccccc2)=O)OC)c1)N3CCCCC3,0.0
78216,CO-ADD:0259610,-9.37,c1(Oc2ccccc2)ccc(CN3CCCCC3)o1,0.0
78217,CO-ADD:0258565,-9.37,C1(Nc(c(Nc(cc2)ccc2OC)nc3c4non3)n4)=C(C)N(N(c5ccccc5)C1=O)C,0.0
78218,CO-ADD:0260189,-9.38,N1(C(c2ccc(cc2)C)N(CC1=O)Cc3ccccc3)\N=C(/C)\c4ccccc4,0.0
78219,CO-ADD:0259470,-9.38,C1(=C(C)N(N(c2ccccc2)C1=O)C)N(C3c(cc4)ccc4[N+](=O)[O-])C(=O)C(=C3C(c5ccccc5)=O)O,0.0
78220,CO-ADD:0254912,-9.38,c1(ccccc1O)C(=O)N\N=C\c(cc2)ccc2SC,0.0
78221,CO-ADD:0253147,-9.38,S(c1ccccc1)(=O)(=O)N(c(cccc2C(F)(F)F)c2)CC(=O)N\N=C\c3ccc(c(C)c3C)C,0.0
78222,CO-ADD:0252307,-9.38,C(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=N\NC(COc3ccccc3C)=O,0.0
78223,CO-ADD:0248213,-9.38,C(c(cc1)ccn1)(=O)N\N=C\c2cccc(OCC=C)c2,0.0
78224,CO-ADD:0247406,-9.38,n(c(NCC=C)nc(n1)Cl)c1NCc2ccco2,0.0
78225,CO-ADD:0252906,-9.38,c1(NNC(Cc2ccccc2)=O)sc(c3n1)cccc3,0.0
78226,CO-ADD:0247411,-9.38,N(CCN1C(=O)CN2CCCC2)(C1C(C)C)S(=O)(=O)c3ccc(cc3)C,0.0
78227,CO-ADD:0250665,-9.38,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)Cl)c4sc(c5c4C(OCC)=O)CCCC5,0.0
78228,CO-ADD:0253600,-9.39,C1(C#N)(C#N)C(C#N)(C#N)C(=C2C1=NN(C)CN2)C,0.0
78229,CO-ADD:0253770,-9.39,N(c1ccc(cc1)OC)(C(c2cccc(OC)c2)C=C3Nc(cc4)ccc4OC)C3=O,0.0
78230,CO-ADD:0255669,-9.39,c1(C(OCC)=O)c2c(oc1CN(C)C)ccc(O)c2.Cl,0.0
78231,CO-ADD:0255727,-9.39,N(c1c(ccc(OC(C)=O)c1)C(O2)=O)=C2c3ccccc3,0.0
78232,CO-ADD:0255623,-9.39,N1(c(ccc(c2C3=O)C(N3C)=O)c2)C(=O)c4c(cc(cc4)N)C1=O,0.0
78233,CO-ADD:0256615,-9.39,n1(c2ccc(cc2)Br)c(c3ccccc3)c(cc1c4ccccc4)\C=N\NC(=O)Cc5cccc(cccc6)c56,0.0
78234,CO-ADD:0256679,-9.4,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(cc3)ccc3N(C)C)\N2,0.0
78235,CO-ADD:0256464,-9.4,c1(cnc(C)n1CC(NN)=O)[N+](=O)[O-],0.0
78236,CO-ADD:0250073,-9.4,c1(SCC(NCCCC)=O)sc2c(ccc(c2)NC(=O)c3cccc(cccc4)c34)n1,0.0
78237,CO-ADD:0255423,-9.4,[N+](=O)([O-])c1cccc(c1C)C(=O)Nc(cc2)ccc2Br,0.0
78238,CO-ADD:0253490,-9.4,[C@H]12[C@H](C1C(=O)c3ccc(cc3)Br)[C@H](O[C@@H]4C2=O)CO4,0.0
78239,CO-ADD:0256167,-9.41,S(=O)(=O)(c1ccc(cc1)\N=C\c2c3c(cccc3)cc(cccc4)c24)Nc5ccccn5,0.0
78240,CO-ADD:0250223,-9.41,S(=O)(=O)(c1ccc(cc1)C)N(CC(=O)NC(C)(C)C#C)c2c(OC)ccc(Cl)c2,0.0
78241,CO-ADD:0253958,-9.41,C(C#N)(C1c2ccccc2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
78242,CO-ADD:0250242,-9.41,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc(n4c5ccc(cc5)F)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78243,CO-ADD:0253213,-9.41,S(N)(=O)(=O)c1ccc(cc1)NC(=O)C(CC)SC2=NCCS2,0.0
78244,CO-ADD:0256107,-9.41,c1(N(C)C)nc(N\N=C/c(c(Cl)ccc2[N+](=O)[O-])c2Cl)nc(Nc(cc3)ccc3F)n1.Cl,0.0
78245,CO-ADD:0247724,-9.41,S(c1ccccc1N)C(c(cc2)ccc2N(C)C)CC(=O)c3ccc(cc3)Br,0.0
78246,CO-ADD:0249368,-9.41,C(=O)(N\N=C(/C)\CC(NCC)=O)C(=O)Nc(cc1)ccc1CC,0.0
78247,CO-ADD:0254639,-9.41,N1(c2ccc(cc2)Cl)C(c3ccc(cc3)OC)Nc(c4C1=O)cccc4,0.0
78248,CO-ADD:0248896,-9.41,C(F)(F)(F)c1cccc(c1)\C=N\NC(=O)c2ccc(cc2)CN(CCc(c34)cccc3)C4,0.0
78249,CO-ADD:0254440,-9.42,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(CCCCC)=O)cc(cc3)OCC,0.0
78250,CO-ADD:0248920,-9.42,c1(SCC(=O)N(CC2)CCO2)sc3c(ccc(c3)\N=C\c(cc4)ccc4F)n1,0.0
78251,CO-ADD:0254894,-9.42,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(c(Cl)cc(c4[N+](=O)[O-])Cl)c4,0.0
78252,CO-ADD:0254618,-9.42,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc4OC)cc(c4OCc5ccccc5)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78253,CO-ADD:0252611,-9.42,C12(c(cccc3)c3C(c4ccc(cc4)C)(c5ccc(cc5)C)S1)N(c6ccccc6)N=C(c7ccccc7)S2,0.0
78254,CO-ADD:0252804,-9.42,c1(SCC(=O)Nc(cc2)ccc2C(OC)=O)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
78255,CO-ADD:0254852,-9.42,N12C(S\C(=C\c3ccccc3F)\C1=O)=C(C(c4ccccc4F)C(C(OC)=O)=C2N)C(OCC)=O,0.0
78256,CO-ADD:0252478,-9.42,C1(C(=O)Nc(cc2)ccc2NC(C)=O)=Cc(cc(Br)cc3Br)c3OC1=O,0.0
78257,CO-ADD:0258337,-9.42,C1(C(OCCC#N)=O)=C(C)NC(NC1c2ccc(c(OC)c2)O)=O,0.0
78258,CO-ADD:0258538,-9.42,C1(C(OCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
78259,CO-ADD:0258499,-9.42,c1(nc(c2n1CC(=O)N\N=C\c3ccc(cc3OC)OC)cccc2)c4nonc4N,0.0
78260,CO-ADD:0258292,-9.42,n1c(c2ccc(cc2)SC)[nH]c(c(cc3)ccc3c4ccccc4)c1c(cc5)ccc5c6ccccc6,0.0
78261,CO-ADD:0258333,-9.42,c1(SCC(=O)Nc2ccccc2OC)sc3c(ccc(c3)\N=C\c(c(O)ccc4[N+](=O)[O-])c4)n1,0.0
78262,CO-ADD:0258581,-9.43,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(C(C)(C)C)s3)c4sc(c5c4C#N)CCCC5,0.0
78263,CO-ADD:0257704,-9.43,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccccc3)c4sc(c5c4C(OCC)=O)CCCC5,0.0
78264,CO-ADD:0257256,-9.44,N(=C(/CC1)\CCC1c2ccccc2)/OC(CCc3ccccc3)=O,0.0
78265,CO-ADD:0283667,-9.44,N1(CC(C)C)\C(=N\c(cc2)ccc2F)\SC=C1c(cc3)ccc3C4CCCCC4.Br,0.0
78266,CO-ADD:0283125,-9.44,C(C(=O)OC1CCCC1)(C2c(cc3)ccc3N(C)C)=C(C)NC(CC(c4ccccc4)CC5=O)=C25,0.0
78267,CO-ADD:0278476,-9.44,c1(OC(N)=C(C2c3cccs3)C#N)c2c(n[nH]1)CCC,0.0
78268,CO-ADD:0278225,-9.44,n1(C)c(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4C(C)C)c2)nnc1Cc(ccc(c56)cccc5)c6,0.0
78269,CO-ADD:0278560,-9.44,n(C(C)=O)(cc(n1)NC(C)=O)c1C,0.0
78270,CO-ADD:0247401,-9.44,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c(ccc(c3OCC)O)c3,0.0
78271,CO-ADD:0252700,-9.44,c1(sc(c2c1C(OCC)=O)CCCC2)NS(=O)(=O)c(cc3)ccc3[N+](=O)[O-],0.0
78272,CO-ADD:0254861,-9.44,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cccc5C(F)(F)F)c5,0.0
78273,CO-ADD:0247611,-9.45,N1(c2ccc(cc2)F)C(c3ccc(cc3)OCc4ccccc4Cl)Nc(c5C1=O)cccc5,0.0
78274,CO-ADD:0252714,-9.45,C(C(C)=O)(C(C)=O)C(c1ccccc1)Nc2ccccc2,0.0
78275,CO-ADD:0248283,-9.45,S(=O)(=O)(NC1CCCCC1)c2cccc(nsn3)c23,0.0
78276,CO-ADD:0252337,-9.45,c1(C(OCC)=O)c(C)n(c(cc(c(O)c2[N+](=O)[O-])[N+](=O)[O-])c12)C,0.0
78277,CO-ADD:0248245,-9.45,s1c(C2CCCCC2)nnc1NC(=O)c3ccccc3Br,0.0
78278,CO-ADD:0255384,-9.45,N1(C2c3ccccc3)C(S\C(=C\c(cc4I)cc(c4O)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78279,CO-ADD:0250175,-9.45,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(NCCc3ccccc3)=O,0.0
78280,CO-ADD:0250207,-9.46,c1(NC(=O)c(ccc(c23)OCO2)c3)sc(c(C)c1C(OCC)=O)C,0.0
78281,CO-ADD:0253487,-9.46,s1c(N)nnc1SCC(=O)N2CCCc(cccc3)c23,0.0
78282,CO-ADD:0250137,-9.46,C(/C1=O)(=C/c2c(O)ccc(cccc3)c23)\C(c4ccccc4)=NO1,0.0
78283,CO-ADD:0253449,-9.46,S(=O)(=O)(N1CCCCCC1)c(ccc(c2C(=O)Oc(ccc(c3C)C)c3)Cl)c2,0.0
78284,CO-ADD:0256041,-9.46,N1(CCCC1C(=O)Nc(cc2)ccc2C)C(=O)C(C)(C)C,0.0
78285,CO-ADD:0255589,-9.46,S(=O)(=O)(N(CC1)CCO1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c(ccc(c3[N+](=O)[O-])N(CC4)CCO4)c3,0.0
78286,CO-ADD:0255380,-9.46,C(=S)(c(ccc(c1OC(=O)c(cc2OC)cc(c2OC)OC)OC)c1)N3CCCCC3,0.0
78287,CO-ADD:0255702,-9.46,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)OC(N(C)C)=N1,0.0
78288,CO-ADD:0250737,-9.46,S(=O)(=O)(N(CC)CC)c1c(C)ccc(c1)C(=O)Nc(cc2)ccc2I,0.0
78289,CO-ADD:0255987,-9.46,S(=O)(=O)(c(cc1)ccc1[N+](=O)[O-])N(CC2)CCN2c3ccc(cc3)F,0.0
78290,CO-ADD:0250561,-9.46,[C@@]1(C#N)(C#N)[C@H](c2ccc(c(OC)c2)OC)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C56CC(CC7C5)CC(C7)C6,0.0
78291,CO-ADD:0253457,-9.46,n1c(SC)nc(cc1OC(F)F)C,0.0
78292,CO-ADD:0253305,-9.47,C(=N\NC(CSCc(cc1)ccc1OC)=O)(/c2c(N3)cccc2)\C3=O,0.0
78293,CO-ADD:0256819,-9.47,c12c(ccc(OC)c1C)C(C)=C(C(=O)O2)CC,0.0
78294,CO-ADD:0253356,-9.47,C(=C/c(cc1OCC)cc(c1O)I)(/C(=O)NN2c3ccccc3)\C2=O,0.0
78295,CO-ADD:0253421,-9.47,S(c1ccccc1)(=O)(=O)N(c2ccccc2)CC(=O)N\N=C/c3cccc(C)c3,0.0
78296,CO-ADD:0249548,-9.47,N1(\N=C\c2ccco2)C(=O)c3c(NC1(C)c(cccc4[N+](=O)[O-])c4)cccc3,0.0
78297,CO-ADD:0249382,-9.47,[N+](=O)([O-])c(cc1)cc(c1C(=O)NC(C)CC)Cl,0.0
78298,CO-ADD:0249558,-9.47,[N+](=O)([O-])\C=C\c1c2c(cccc2)ccc1OC(C)=O,0.0
78299,CO-ADD:0249175,-9.47,S(=O)(=O)(c1ccc(cc1)\N=C\c(cc2)ccc2C(OC)=O)Nc3ccccn3,0.0
78300,CO-ADD:0254624,-9.48,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3OC)\N2CC=C,0.0
78301,CO-ADD:0249327,-9.48,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c(cc2)ccc2OCc(cc3)ccc3[N+](=O)[O-],0.0
78302,CO-ADD:0247806,-9.48,C(=O)(N\N=C/c(cc1)ccc1OC(=O)\C=C/C(=O)Oc(cc2)ccc2\C=N/NC(=O)c3cccc(Br)c3)c4cccc(Br)c4,0.0
78303,CO-ADD:0249100,-9.48,c1(nc(c(C(C)=O)s1)C)N2C(c(cccc3[N+](=O)[O-])c3)CC(c4cc(C)ccc4C)=N2.Cl,0.0
78304,CO-ADD:0252894,-9.48,S(=O)(=O)(c(cccc1C(=O)N(CC2)CCN2C(=O)c(cccc3S(=O)(=O)N4CCCCC4)c3)c1)N5CCCCC5,0.0
78305,CO-ADD:0249710,-9.49,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2Cl)Cl)CC(=O)N(CC3)CCN3C(=O)CN(c4ccc(cc4Cl)Cl)S(c5ccccc5)(=O)=O,0.0
78306,CO-ADD:0247754,-9.49,c1(c(Cl)cc(c(F)c1)F)NC(NCCCCCCCCCCCCCCCCCC)=O,0.0
78307,CO-ADD:0247707,-9.49,c1(\C=N\NC(C2CCCCC2)=O)c(cccc1Cl)Cl,0.0
78308,CO-ADD:0284708,-9.49,N#Cc(cc1)ccc1\C=N\NC(CNc(ccc(c23)OCO2)c3)=O,0.0
78309,CO-ADD:0283885,-9.49,c1(N)nonc1OC,0.0
78310,CO-ADD:0283815,-9.49,S(=O)(=O)(N1CCCCC1)c2csc(C(=O)Nc(cc3)ccc3C)c2,0.0
78311,CO-ADD:0258526,-9.49,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\c(ccc(c3Cl)C)c3)o2)Cl)c1,0.0
78312,CO-ADD:0259103,-9.5,C12(CC(CC(C3)C1)CC3C2)C(=O)NNC(=O)c4ccc(cc4OC)OC,0.0
78313,CO-ADD:0284493,-9.5,c12c(nnc(SCC(=O)N(c3ccccc3)c4ccccc4)n1)c5c(cccc5)n2CCC,0.0
78314,CO-ADD:0279091,-9.5,S(=O)(=O)(Nc(cc1)ccc1Cl)c(c(Cl)cc(c2C(=O)Nc3ccccc3)Cl)c2.CC(=O)O,0.0
78315,CO-ADD:0278852,-9.5,C1(C(c2ccccc2)Oc(c3N1)ccc(Cl)c3)(C=C4C(C)(C)C)C=C(C4=O)C(C)(C)C,0.0
78316,CO-ADD:0284221,-9.5,c1(ccn(C(=O)c(cc2OC)cc(c2OC)OC)n1)[N+](=O)[O-],0.0
78317,CO-ADD:0284477,-9.5,c1(C(O)=O)c(cc(OCC)cc2)c2n(C)c1C,0.0
78318,CO-ADD:0277399,-9.5,n12c(S\C(=C/c(ccc3c4ccccc4C(O)=O)o3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
78319,CO-ADD:0278902,-9.5,c12n(c(cs1)C)cnc3c2ncn3,0.0
78320,CO-ADD:0284741,-9.5,n12c(ccc(cccc3)c13)nnc2c4ccc(c(OC)c4)OC,0.0
78322,CO-ADD:0248286,-9.51,c1(cc(F)ccc1F)C(=O)Nc(cc(cc2NC(=O)c3cc(F)ccc3F)Oc4ccccc4C)c2,0.0
78323,CO-ADD:0248195,-9.51,c1(nonc1N)N(Cc2ccccc2[N+](=O)[O-])N=Nc3nonc3N,0.0
78324,CO-ADD:0247914,-9.51,C(=O)(Oc(cc1)ccc1\C=N/NC(=O)c(ccc(c23)OCO2)c3)c4cccc(cccc5)c45,0.0
78325,CO-ADD:0252285,-9.51,C(Br)(C(Br)c(cccc1C(F)(F)F)c1)C(=O)C(C)(C)C,0.0
78326,CO-ADD:0247609,-9.51,N1(c2cc(C)cc(C)c2)C(c3ccc(cc3)Cl)Nc(c4C1=O)cccc4,0.0
78327,CO-ADD:0254952,-9.51,C1(=O)N(C)C(=O)C=C(N\N=C(/c2c(N3)cccc2)\C3=O)N1C,0.0
78328,CO-ADD:0253282,-9.51,c(ccc1C(C)c(ccc2C(=O)C(F)(F)F)o2)(o1)C(=O)C(F)(F)F,0.0
78329,CO-ADD:0253194,-9.51,N1(c2ccc(cc2)I)C(=O)CC(N(CC3)CCN3Cc4ccccc4)C1=O,0.0
78330,CO-ADD:0253569,-9.51,n1(c2ccccc2)c(COc3ccccc3)nnc1SCC(=O)c(ccc4c5Cc(c46)cccc6)c5,0.0
78331,CO-ADD:0255499,-9.52,C(=O)(c1ccccc1C(=O)NCc2ccco2)c3[nH]ccn3,0.0
78332,CO-ADD:0256067,-9.52,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c34)OCO3)c4)nc(NCc5ccccc5)n1.Cl,0.0
78333,CO-ADD:0249981,-9.52,c1(SCC(=O)Nc2ccccn2)nccn1C,0.0
78334,CO-ADD:0257155,-9.52,c(Nc(cc1)ccc1OC)(nc(Cl)nc2NC3CCCC3)n2,0.0
78335,CO-ADD:0256491,-9.52,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c4cccc(Cl)c4Cl)\C1=O,0.0
78336,CO-ADD:0250186,-9.52,n1(c(C)c(nn1)C(N)=O)c2nonc2N,0.0
78337,CO-ADD:0255943,-9.52,S(=O)(=O)(Nc1cccc(F)c1)c2c(Br)ccc(c2)C(=O)Nc(cc3)ccc3Br,0.0
78338,CO-ADD:0256007,-9.52,C1(C(=O)N\N=C\c2ccccc2)CC1(OC)c3ccccc3,0.0
78339,CO-ADD:0255911,-9.52,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(NCCSc4sc(c5n4)cccc5)=O,0.0
78340,CO-ADD:0253269,-9.52,N(c1c(OC)ccc(OC)c1)(C(=O)C(C2C34Br)C(Br)(c(c35)cccc5)c6c4cccc6)C2=O,0.0
78341,CO-ADD:0253279,-9.53,c1(C#N)c(SC)nsc1N\N=C\c2cccc(C)n2,0.0
78342,CO-ADD:0250618,-9.53,N1(CC)C(=O)\C(\SC1=S)=C/c2c3c([nH]c2C)cccc3,0.0
78343,CO-ADD:0255310,-9.53,C(=N/Nc(cc1)ccc1F)(/C(N)=NN2)\C2=N,0.0
78344,CO-ADD:0250639,-9.53,[N+](=O)([O-])c1c(\C=N\NC(=O)c2ccccc2C)cc(c(OC)c1)OC,0.0
78345,CO-ADD:0256998,-9.53,C(COc(cc1)ccc1C2CCCCC2)(NCCOc3ccccc3)=O,0.0
78346,CO-ADD:0247664,-9.53,C(C(C)(C)C)(=C\C(=N/Nc1ccc(nn1)Cl)\C=C2C(C)(C)C)C2=O,0.0
78347,CO-ADD:0254827,-9.53,c(c1c2ccccc2)(C3c(ccc(c4[N+](=O)[O-])Cl)c4)c([nH]n1)OC(N)=C3C#N,0.0
78348,CO-ADD:0254811,-9.53,C1(C#N)(C#N)[C@H](c2cccc(C)c2)[C@H](N(c3c(cccc3)C=C4)[C@@]14[H])C(=O)C(C)(C)C,0.0
78349,CO-ADD:0254647,-9.54,N1(c(cc2)ccc2C(OCC)=O)C(c3ccc(cc3)Cl)Nc(c4C1=O)cccc4,0.0
78350,CO-ADD:0249528,-9.54,n1(nnc(C(=O)N\N=C\c2ccccc2F)c1CN(CC3)CCO3)c4nonc4N,0.0
78351,CO-ADD:0249684,-9.54,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)OCc(cc3)ccc3[N+](=O)[O-],0.0
78352,CO-ADD:0252390,-9.55,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c(c2)c(N(CC3)CCO3)cc(N(CC4)CCO4)c2[N+](=O)[O-])F,0.0
78353,CO-ADD:0247362,-9.55,c1(\N=C\c(ccc2c3cccc(Cl)c3Cl)o2)sc(c4c1C(OCC)=O)CCCC4,0.0
78354,CO-ADD:0248068,-9.55,N1(c(cc2)ccc2C(=O)Nc(ccc(c34)cccc3)c4)C(=O)c(c5C1=O)ccc(c5)C(=O)Nc(ccc(c67)cccc6)c7,0.0
78355,CO-ADD:0254882,-9.55,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)ccc4N(CC5)CCO5)\C1=O,0.0
78356,CO-ADD:0252737,-9.55,N(=C\c1ccccc1OCc2ccccc2)/NC(CCCCC(=O)N\N=C\c3ccccc3OCc4ccccc4)=O,0.0
78357,CO-ADD:0254407,-9.56,C(=O)(C1CCC(CC1)CCCCCCCCC)Nc(cc2)ccc2C(OC)=O,0.0
78358,CO-ADD:0284509,-9.56,c1(N(CC)\N=C\c2c(O)ccc(cccc3)c23)[nH]c(c4n1)cccc4,0.0
78359,CO-ADD:0258361,-9.56,c1(SCc(cc2)ccc2I)sc3c(ccc(c3)\N=C\c4c(O)ccc(cccc5)c45)n1,0.0
78360,CO-ADD:0284480,-9.56,s1c(Cc(cc2)ccc2[N+](=O)[O-])nnc1N,0.0
78361,CO-ADD:0284482,-9.56,c1(ccc(cc1[N+](=O)[O-])Cl)C(=O)Nc2ccccn2,0.0
78362,CO-ADD:0283298,-9.56,N1(Cc2ccccc2)C(=O)C(C)=NN(Cc3ccccc3)C1=S,0.0
78363,CO-ADD:0283827,-9.56,C(=O)(N\N=C\c(cc1)ccc1OC)C(=O)NC(CC2(C)C)CC(N2)(C)C,0.0
78364,CO-ADD:0277471,-9.56,c1(c2c3c(cccc3)c(c(cccc4)c24)Cl)[nH]c(c(c5ccc(cc5)OC)n1)c6ccccc6,0.0
78365,CO-ADD:0284913,-9.56,c1(sc(c2n1)cccc2)Sc3c4c(cccc4)c(nn3)C,0.0
78366,CO-ADD:0257657,-9.56,N1(c2c(C)cc(cc2C)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4sccn4,0.0
78367,CO-ADD:0259925,-9.56,C1(C(OCCSC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)O)=O,0.0
78368,CO-ADD:0257188,-9.56,c1(nnc2SC(C(c3ccccc3)=O)Sc4nnc5n4ncn5N)n2ncn1N,0.0
78369,CO-ADD:0284615,-9.56,C(SC(CC)C(C(CC)S1)=O)(SC(S2)=S)=C12,0.0
78370,CO-ADD:0284080,-9.57,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c3ccccc3)\N2Cc(ccc(c45)OCO4)c5)N6CCCC6.Br,0.0
78371,CO-ADD:0284122,-9.57,n1(Cc2ccccc2)c3c(cc1CC(=O)Nc(cc4)ccc4C)cccc3,0.0
78372,CO-ADD:0277499,-9.57,N1=C2N(C=CC=C2C)C(C(C=O)=C1Nc(cc3)ccc3Cl)=O,0.0
78373,CO-ADD:0277827,-9.57,N12C(S\C(=C\c(c(cccc3)c3n4Cc5ccccc5Cl)c4)\C1=O)=NC(C)=C(C(OCC)=O)C2c6cc(OC)c(cc6Br)OC,0.0
78374,CO-ADD:0277588,-9.57,c1(ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Oc(c(Br)c2)c(Br)cc2C(=S)N(CC3)CCO3,0.0
78375,CO-ADD:0252660,-9.57,c1(c2c([nH]c1)cccc2)C(O)(C(OC)=O)C(F)(F)F,0.0
78376,CO-ADD:0247547,-9.58,c1(SC(C)C(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
78377,CO-ADD:0247554,-9.58,C1(C(=O)OCc2ccccc2)=C(C)Nc(c3S1)cccc3,0.0
78378,CO-ADD:0252678,-9.58,C(F)(F)(C1(F)C(=O)NCc2ccccc2)C(F)(F)C(C(F)(F)C1(F)F)(F)C(=O)NCc3ccccc3,0.0
78379,CO-ADD:0254522,-9.58,C1(C2=O)C(C(C=C3)OC13CO)C(N2c4ccc(cc4)C#N)=O,0.0
78380,CO-ADD:0252972,-9.58,[N+](=O)([O-])c(ccc(c12)[nH]c(C)n1)c2,0.0
78381,CO-ADD:0247583,-9.58,n1(c2ccccc2)c(SCc(cc3)ccc3F)nnc1c4ccc(c(OC)c4)OC,0.0
78382,CO-ADD:0252202,-9.58,[N+](=O)([O-])c1ccc(cc1O)\C=N/NC(=O)c2ccc(cc2)Br,0.0
78383,CO-ADD:0255764,-9.58,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)F)c4sc(c5c4C#N)CCCC5,0.0
78384,CO-ADD:0250009,-9.58,c1(C#N)c2c(sc1\N=C\c3c[nH]nc3c4ccccc4)CCCC2,0.0
78385,CO-ADD:0249988,-9.59,c1(NC(CCCOc2ccc(cc2Cl)Cl)=O)nnc(SCC)s1,0.0
78386,CO-ADD:0255930,-9.59,[N+](=O)([O-])c1ccc(cc1)\N=C\c(cc(Cl)cc2Cl)c2O,0.0
78387,CO-ADD:0250275,-9.59,N1(c2ccc(cc2)Sc(cc3)ccc3[N+](=O)[O-])C(=O)c(c4C1=O)ccc(c4)c5oc(c6n5)cccc6,0.0
78388,CO-ADD:0256309,-9.59,C1(C(=O)OC2CCCCCCC2)=C(C)NC(NC1c(cc3OC)cc(c3O)Cl)=O,0.0
78389,CO-ADD:0253987,-9.59,c1(cc(\C=N\NC(=O)c2ccc(cc2)Oc(cc3)ccc3O)cc(OC)c1O)[N+](=O)[O-],0.0
78390,CO-ADD:0256070,-9.59,c1(N(CC2)CCO2)nc(N\N=C/c(ccc3c(cccc4[N+](=O)[O-])c4)o3)nc(Nc(cc5)ccc5F)n1.Cl,0.0
78391,CO-ADD:0256466,-9.59,C(CSCc1cccc(Cl)c1)(=O)N\N=C\c(cc2)ccc2OC(C)C,0.0
78392,CO-ADD:0256355,-9.59,c12c(non1)nc(Nc(cc3)ccc3I)c(N\N=C\c(ccc(c4Br)OC)c4)n2.Cl.Cl,0.0
78393,CO-ADD:0256022,-9.59,S(=O)(=O)(N1CCCCC1)c2c(Cl)ccc(c2)S(=O)(=O)c(cccc3S(=O)(=O)N4CCCCC4)c3,0.0
78394,CO-ADD:0253575,-9.59,N(CN(CC1)CCN1c(cccc2C(F)(F)F)c2)(N=C(N3C)c4ccccc4Cl)C3=S,0.0
78395,CO-ADD:0250357,-9.6,S(C)(=O)(=O)N(c1c(C)cccc1C)CC(=O)Nc2ccccc2OCC,0.0
78396,CO-ADD:0256880,-9.6,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(cc4)ccc4Cl)\C1=O,0.0
78397,CO-ADD:0256208,-9.6,C1(=Cc2c(OC1=O)ccc(Br)c2)C(=O)N3CCSC3c4ccc(cc4)Br,0.0
78398,CO-ADD:0250216,-9.6,c1(c(C)onc1c2ccccc2Cl)C(=O)Oc3ccc(c4c3Cc5c6c(cccc6)ccc5OC(=O)c7c(C)onc7c8ccccc8Cl)cccc4,0.0
78399,CO-ADD:0247588,-9.6,c1(SCC(=O)c(cc2)ccc2[N+](=O)[O-])sc3c(ccc(N)c3)n1,0.0
78400,CO-ADD:0253052,-9.6,c12c(ccc(cccc3)c13)C(CC(=O)N2)c4ccc(c(OC)c4)OCCO,0.0
78401,CO-ADD:0254528,-9.6,N1(C(=O)Cc(cc2)ccc2[N+](=O)[O-])C(O)(c3ccc(cc3)CC)CC(C(F)(F)F)=N1,0.0
78402,CO-ADD:0249768,-9.61,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(OCO6)c6cc5[N+](=O)[O-],0.0
78403,CO-ADD:0249445,-9.61,C1(C(=O)NCc2ccco2)=Cc(cc(Br)cc3Br)c3OC1=O,0.0
78404,CO-ADD:0249423,-9.61,S(=O)(=O)(N(CCO)Cc1ccccc1)c(ccc(c23)C(=O)c4c(cccc4)C2=O)c3,0.0
78405,CO-ADD:0249769,-9.61,n1(C)c(SCc2cccc(Br)c2)nnc1c(cc3)ccc3C(C)(C)C,0.0
78406,CO-ADD:0248997,-9.61,S(=O)(=O)(c1ccc(cc1)C)Oc(cc2)ccc2\C=C(\C3=O)/N=C(O3)c4ccc(cc4)Cl,0.0
78407,CO-ADD:0254351,-9.61,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C/c(ccc(c3OCC)OCc4ccc(cc4Cl)Cl)c3.Cl,0.0
78408,CO-ADD:0284420,-9.62,c1(C#N)c2c(sc1\N=C\c(ccc(c3[N+](=O)[O-])N4CCC(CC4)C)c3)CCCC2,0.0
78409,CO-ADD:0284325,-9.62,C12=C(c3c(cccc3)C1=O)OC(c4ccc(cc4)Cl)c(cc(OC)c(OC)c5)c25,0.0
78410,CO-ADD:0284573,-9.62,S(=O)(=O)(N1CCC(CC1)C)c2c(C)ccc(c2)C(=O)Nc3cccc(O)c3,0.0
78411,CO-ADD:0283798,-9.62,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c(C)c4C(OC)=O)C(OC)=O)c1Br,0.0
78412,CO-ADD:0283814,-9.62,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)Oc(cccc2NC(c3ccccc3)=O)c2)C)c1,0.0
78413,CO-ADD:0283792,-9.62,c1(c2c(OC)ccc(cccc3)c23)nnc(ccc4C(F)(F)F)n1c4,0.0
78414,CO-ADD:0257742,-9.62,c(cc(Br)cc1Br)(c12)\C(=N\c(cc3)ccc3C)\C(N2)=O,0.0
78415,CO-ADD:0257374,-9.62,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc4c(cc5)cc(c5[N+](=O)[O-])C)o4)\C1=O,0.0
78416,CO-ADD:0283857,-9.63,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)OC)C2c4cccc(O)c4,0.0
78417,CO-ADD:0284633,-9.63,c1(NC(=O)c2c(C)onc2c3ccccc3Cl)sc(c4c1C#N)CCCC4,0.0
78418,CO-ADD:0283810,-9.63,S(=O)(=O)(c(cccc1C(=O)Nc2cccc(c2)OC(=O)c(cccc3S(=O)(=O)N4CCCCCC4)c3)c1)N(CC5)CCO5,0.0
78419,CO-ADD:0284394,-9.63,C(=O)(C(c1ccccc1)c2ccccc2)Nc3ccccc3C#Cc4ccccc4NC(=O)C(c5ccccc5)c6ccccc6,0.0
78420,CO-ADD:0277604,-9.63,n1(nnc(C(OCC)=O)c1CSC(=NN(C2=S)c3ccccc3)S2)c4nonc4N,0.0
78421,CO-ADD:0277620,-9.63,N1(c(cccc2C3=CS\C(=N/c4ccccc4)\N3CC(OCC)=O)c2)C(=O)c(c5C1=O)cccc5.Br,0.0
78422,CO-ADD:0277630,-9.63,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(C4CCCCC4)=O)n1,0.0
78423,CO-ADD:0277526,-9.64,N1(c2ccc(cc2)C)C(c(cc3)ccc3N(C)C)N(N=C1C(C)=O)c4ccccc4,0.0
78424,CO-ADD:0277592,-9.64,c1(cc(Br)cc(Br)c1O)C(=O)N\N=C\c(cc2I)cc(c2OCC=C)I,0.0
78425,CO-ADD:0277808,-9.64,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c4ccccc4OC)\C1=O,0.0
78426,CO-ADD:0247618,-9.64,C(=O)(NCc(cc1)ccc1C(C)C)Nc(cc2)ccc2OCCCCCCCCCC,0.0
78427,CO-ADD:0252410,-9.64,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C/c4c(OCC)ccc(cccc5)c45)\C1=O)=NC(C)=C2C(OCC)=O.Cl,0.0
78428,CO-ADD:0248291,-9.64,C(C#N)(C1(CCCCC1)C(C#N)C(N2)=O)=C2SCc3ccccc3,0.0
78429,CO-ADD:0252346,-9.64,N(C)(C(=O)c(c(O)c(N)c(n1)NNC(=O)C(F)(F)F)c1N2C)C2=O,0.0
78430,CO-ADD:0252232,-9.64,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(c(cccc3)c3n4Cc(cc5)ccc5Cl)c4,0.0
78431,CO-ADD:0254476,-9.64,C(NCCOc(cc1)ccc1C)(=O)c2ccc(cc2)Br,0.0
78432,CO-ADD:0247875,-9.64,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(NCCOc3cccc(C)c3)=O)[N+](=O)[O-],0.0
78433,CO-ADD:0256695,-9.65,c1(NC(CCC(OCC(F)(F)F)=O)=O)sc2c(ccc(OCC)c2)n1,0.0
78434,CO-ADD:0256344,-9.66,c1(SCC(=O)Nc2c(Br)cc(cn2)Br)nccn1C,0.0
78435,CO-ADD:0256696,-9.66,P(OCC)(OCC)(=O)c1ccc(cc1)O,0.0
78436,CO-ADD:0255280,-9.66,C(C(=O)c(cc1)ccc1[N+](=O)[O-])(C2c3ccccc3F)=C(O)C(N2c4ccc(cc4)C)=O,0.0
78437,CO-ADD:0255550,-9.66,C(=O)(N\N=C/C(/Br)=C/c1ccccc1)c2ccc(cc2)F,0.0
78438,CO-ADD:0253549,-9.66,s1c(c2ccccc2)nnc1NC(=O)c(ccc(c3Cl)Cl)c3,0.0
78439,CO-ADD:0253737,-9.66,N1(Cc2ccccc2)C(=O)\C(\SC1=S)=C/c(ccs3)c3,0.0
78440,CO-ADD:0256024,-9.66,c1(N\N=C\c(ccc2c(cccc3[N+](=O)[O-])c3)o2)sc(c4n1)cccc4,0.0
78441,CO-ADD:0255938,-9.66,S(=O)(=O)(Nc(cc1)ccc1C)c2csc(C(=O)Nc3ccccc3)c2,0.0
78442,CO-ADD:0253405,-9.66,c1(C#N)c(SC)nsc1N\N=C\c(cc2OC)cc(c2OC)OC,0.0
78443,CO-ADD:0253638,-9.66,c(non1)(nc(Nc(cc2)ccc2F)c(n3)Nc(cc4)ccc4I)c13,0.0
78444,CO-ADD:0256673,-9.66,C1(C(OC\C=C\C)=O)=C(C)NC(=O)NC1c2ccc(cc2)CC,0.0
78445,CO-ADD:0260001,-9.66,c1(C2=O)c(sc3c1CCC(C3)C(C)(C)C)N=C(SCc(cc4)ccc4OC)N2c5ccccc5,0.0
78446,CO-ADD:0260114,-9.66,N1(Cc(ccc(c23)OCO2)c3)\C(=N\c(cc4)ccc4F)\SC=C1c5ccc(c(C)c5)C.Br,0.0
78447,CO-ADD:0260171,-9.67,N1(CNc(ccc(c2Cl)F)c2)N=C(OC1=S)c(cc3)ccc3C(C)(C)C,0.0
78448,CO-ADD:0259619,-9.67,N1(C)C(=O)\C(\SC1=S)=C/c(cc2OC)cc(c2O)OC,0.0
78449,CO-ADD:0259308,-9.67,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cccc3[N+](=O)[O-])c3)c4sc(c5c4C#N)CCCC5,0.0
78450,CO-ADD:0260188,-9.67,C(=O)(NCc(cc1)ccn1)C(NCCO)=O,0.0
78451,CO-ADD:0254605,-9.67,N1(C(c2ccc(cc2)F)CC(c3cccs3)=N1)c4scc(c5ccc(cc5)Br)n4.Br,0.0
78452,CO-ADD:0247640,-9.67,P(N(C)C)(N(C)C)(N(C)C)=NC(=O)C(Br)(Br)Br,0.0
78453,CO-ADD:0247770,-9.67,c1(ccccc1Cl)C(=O)N\N=C\c(cc2)ccc2OC(=O)\C=C\c3ccco3,0.0
78454,CO-ADD:0254834,-9.68,C12(c3c(NC1=O)ccc(C)c3)C4=C(CCCC4=O)OC(N)=C2C#N,0.0
78455,CO-ADD:0247778,-9.68,S(N)(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)\C=C\c(cc2)ccc2F,0.0
78456,CO-ADD:0254802,-9.68,C(c1ccccc1)(=O)Nc(cc2)ccc2Oc(cc3)ccc3NC(c4ccccc4)=O,0.0
78457,CO-ADD:0137549,-9.68,O=C(NCCN1CCOCC1)C2=C(C3CCCCC3)SC(NC(C4=CC(NC(C5=CN=C(/C=C/C6=CC=C(OC)C=C6)C=C5)=O)=CN4C)=O)=N2.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
78458,CO-ADD:0283872,-9.68,C1(C2c3ccc(cc3)F)=C(CC(c4ccccc4)CC1=O)NC(C)=C2C#N,0.0
78459,CO-ADD:0283614,-9.68,N1(CN(CC2)CCC2C(OCC)=O)c(cccc3)c3\C(=N\c(cccc4C(F)(F)F)c4)\C1=O,0.0
78460,CO-ADD:0283679,-9.68,N1(c2ccc(cc2)OCCCC)C(=O)CC(N(CC3)CCN3Cc4ccccc4)C1=O,0.0
78461,CO-ADD:0284249,-9.69,S1(=O)(=O)C(C=C)C(C1(C)C)N(CC2)CCO2,0.0
78462,CO-ADD:0278409,-9.69,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(NCCN(CC4)CCO4)=O)c1Br,0.0
78463,CO-ADD:0283187,-9.69,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(c3ccccc3)=O)F,0.0
78464,CO-ADD:0284586,-9.69,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c3ccccc3OC)\N2C)N(CC4)CCO4.Br,0.0
78465,CO-ADD:0278908,-9.69,n1(c2c(n3)cccc2)c3C(C(CCCC4)C14N(CC5)CCO5)N(CC6)CCO6,0.0
78466,CO-ADD:0279028,-9.69,c1(c([nH]cn1)N=CN2Cc(cc3)ccc3[N+](=O)[O-])C2=O,0.0
78467,CO-ADD:0278845,-9.7,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)Cl)\N2CCC.Br,0.0
78468,CO-ADD:0278853,-9.7,C1(C(C=C)Oc(c2N1)ccc(Br)c2)(C=C3C(C)(C)C)C=C(C3=O)C(C)(C)C,0.0
78469,CO-ADD:0279053,-9.7,n1c(c2ccc(cc2)F)csc1\C(\C#N)=N\Nc(cc3)ccc3OC,0.0
78470,CO-ADD:0277528,-9.7,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)NC4CC4)c2)sc5c(ccc(N)c5)n1,0.0
78471,CO-ADD:0259381,-9.7,c1(OC(N)=C(C2c3cccc(cccc4)c34)C#N)c2c(n[nH]1)CCC,0.0
78472,CO-ADD:0284503,-9.7,N1(C2=O)C(SC(C(C)C)=N1)=NC(O)=C2C(c3cccs3)C(=C(O)N=C(N45)SC(C(C)C)=N4)C5=O,0.0
78473,CO-ADD:0259154,-9.7,C(/c1c(N2)cccc1)(=N/NC(=O)c(cccc3S(N)(=O)=O)c3)\C2=O,0.0
78474,CO-ADD:0258794,-9.71,N(CC1)(CCN1c2ccccc2OC)C(=O)\C=C\c3ccccc3,0.0
78475,CO-ADD:0254453,-9.71,N1(C\C(\C)=N\NC(=O)c2ccccc2O)C(=O)CCC1=O,0.0
78476,CO-ADD:0247817,-9.71,C1(NC(N2)=O)C2N(CN1S(CCCC)(=O)=O)S(CCCC)(=O)=O,0.0
78477,CO-ADD:0247415,-9.71,n(c1C)(nnc1C(=O)N\N=C(/C)\CC)c2nonc2N,0.0
78478,CO-ADD:0252903,-9.71,C(=O)(c1cccc(c1C)[N+](=O)[O-])N2CCCCC2CC,0.0
78479,CO-ADD:0255228,-9.71,N1(c2ccc(cc2)Cl)C(=O)CC(N(CCc3ccccc3)C(CC)=O)C1=O,0.0
78480,CO-ADD:0253030,-9.71,N1C(=O)\C(\SC1=S)=C\c(ccc(c2I)OC)c2,0.0
78481,CO-ADD:0247546,-9.72,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n1,0.0
78482,CO-ADD:0252241,-9.72,[C@@]1(C)(CC2)C(C[C@@H](C[N+](=O)[O-])[C@@H]1\C(\C)=N/OC(C)=O)C(C23)CC=C(C[C@H](CC4)OC(C)=O)[C@@]34C,0.0
78483,CO-ADD:0253581,-9.72,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)Nc5ccccc5,0.0
78484,CO-ADD:0256896,-9.72,N(\C(=C\c(ccc(c1OCC)OCc(cc2)ccc2Cl)c1)\C(O3)=O)=C3c4ccc(cc4)Cl,0.0
78485,CO-ADD:0256810,-9.72,n1c(c2ccc(cc2)OC)[nH]c(c3ccc(cc3)F)c1c4ccccc4,0.0
78486,CO-ADD:0253471,-9.72,c1(Nc(ccc(c2N3)NC3=O)c2)c(c(C)nc(Nc(ccc(c4N5)NC5=O)c4)n1)[N+](=O)[O-],0.0
78487,CO-ADD:0253183,-9.72,N1(c2ccccc2)C(=O)C(CC1=O)NCc(ccc(c34)OCO3)c4,0.0
78488,CO-ADD:0249998,-9.72,C(C1)(C2)(CN(CN2C3)CN13)\C(=N/N=C/c4ccccc4OCC)\c(cccc5[N+](=O)[O-])c5,0.0
78489,CO-ADD:0257061,-9.72,C(=O)(Nc1cccc(Cl)c1)C(NCCC(C)C)=O,0.0
78490,CO-ADD:0250213,-9.72,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2Oc3ccc(cc3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0.0
78491,CO-ADD:0255425,-9.72,[N+](=O)([O-])c1ccc(cc1C)C(=O)Oc(ccc(c23)cccc2)c3,0.0
78492,CO-ADD:0255569,-9.72,[N+](=O)([O-])c(cc1)ccc1C(=O)NC2CCCCCC2,0.0
78493,CO-ADD:0255865,-9.73,c1(SC\C=C\c(cc2)ccc2[N+](=O)[O-])nnnn1C,0.0
78494,CO-ADD:0259525,-9.73,C(/C#N)(\C(=O)Nc1cccc(C)c1C)=C/c2c(O)ccc(cccc3)c23,0.0
78495,CO-ADD:0260063,-9.73,N12C(S\C(=C/c(cc(Br)c(c3)OC)c3OC)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)c(cc4Br)OC,0.0
78496,CO-ADD:0260096,-9.73,C1(C(OCCOCC)=O)=C(C)NC(NC1c2ccccc2OCc3ccccc3)=O,0.0
78497,CO-ADD:0260112,-9.73,N1(Cc2ccccc2)\C(=N\c3ccccc3)\SC=C1c4cc(C)ccc4C.Br,0.0
78498,CO-ADD:0259769,-9.73,C(/SC(N1C)=S)(\C1=O)=C(/Sc(c23)ccc(Cl)c2)\N3C4CCCCC4,0.0
78499,CO-ADD:0248056,-9.73,N1(C=O)N=C(CC1(O)c2ccc(cc2)Cl)CC,0.0
78500,CO-ADD:0248978,-9.73,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(c(OC)c4)OC,0.0
78501,CO-ADD:0248970,-9.73,c1(SCC(=O)c(cc2)ccc2c3ccccc3)oc(c4n1)cccc4.Br,0.0
78502,CO-ADD:0248853,-9.73,C(=N/c1ccccc1)(/SC(C2=O)CC(=O)Nc(cc3)ccc3Cl)\N2CCCO,0.0
78503,CO-ADD:0249489,-9.74,C(=O)(c1ccc(cc1)Cl)Nc(cc2)ccc2C(OC)=O,0.0
78504,CO-ADD:0247437,-9.74,N1(CCCCC1)CC(O)CNc2ccccc2,0.0
78505,CO-ADD:0134093,-9.74,O=C(c1[nH]c([N+](=O)[O-])cn1)NCc2ccccn2,0.0
78506,CO-ADD:0284004,-9.74,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4ccc(c5c4)OCO5,0.0
78507,CO-ADD:0283133,-9.74,C1(O)(NN=C(c2c(cc(c(OC)c2)OC)CC3(C)C)N13)C(F)(F)C(F)(F)C(F)(F)F,0.0
78508,CO-ADD:0283029,-9.74,C1(Cc2ccccc2)=C(C)c(ccc(c3)OC\C(\c4ccc(cc4)C)=N/O)c3OC1=O,0.0
78509,CO-ADD:0278461,-9.75,c1(C#N)c(c2ccccc2)cc(nc1SCC(=O)c3ccc(cc3)OC)c4ccccc4,0.0
78510,CO-ADD:0283983,-9.75,C(C(=O)OC(C)C)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c4ccccc4OCc5ccccc5,0.0
78511,CO-ADD:0278495,-9.75,C(C(OCC=C)=O)(=C(C)OC(=C1C#N)N)C1c2cccs2,0.0
78512,CO-ADD:0278361,-9.75,c(cc1)ccc1CC(N(c2ccccc2)C3=S)=NN3[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5,0.0
78513,CO-ADD:0277395,-9.75,C(/S\C(\C1=O)=C/c2ccccc2F)(=N\C(C)=O)\N1,0.0
78514,CO-ADD:0283540,-9.75,C(C(OCCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccccc3)C2c(cc4OCC)cc(c4O)Br,0.0
78515,CO-ADD:0283741,-9.75,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(c(cccc4)c4n5Cc6ccccc6F)c5)\C1=O,0.0
78516,CO-ADD:0279102,-9.75,C1(SC)=NC(Cc2c1cccc2C)(C)C,0.0
78517,CO-ADD:0283727,-9.75,c12c(CCN=C1Cc(ccc(c3OCC)OCC)c3)cc(c(OCC)c2)OCC.Cl,0.0
78518,CO-ADD:0258756,-9.75,C1(NC(CSc2sc3c(ccc(c3)NC(=O)c4cccc(C)c4)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
78519,CO-ADD:0259372,-9.75,C1(C#N)(C#N)C(c(cc2)ccn2)C3C(C(C#N)=C1N)=CCCC3,0.0
78520,CO-ADD:0259932,-9.75,N(\C(=N/c1ccccc1)\C2(N3c4ccc(cc4)Cl)CCCCC2)=C3SC.I,0.0
78521,CO-ADD:0259389,-9.75,c12c(C(C)=NNC(=O)C1CC(=O)Nc3ccccc3)cc(OC)c(OC)c2,0.0
78522,CO-ADD:0253144,-9.75,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c(cc2)ccc2Br)F,0.0
78523,CO-ADD:0254432,-9.76,C(F)(F)(C(F)(F)F)\C(\NC(=O)SCC1Cc(c2O1)cccc2)=C(/C(F)(F)F)\C(F)(F)F,0.0
78524,CO-ADD:0252920,-9.76,C(=C/c1ccc(cc1OC)OC)(/C(=O)N2CC)\C(=O)N(C2=S)CC,0.0
78525,CO-ADD:0252912,-9.76,C(=C\c1cc(Br)cc(Br)c1OCc2ccccc2)(/C3=O)\Sc(c34)cccc4,0.0
78526,CO-ADD:0247983,-9.76,n1c(c2ccc(c(C)c2)C)csc1Nc(cc3)ccc3Cl.Br,0.0
78527,CO-ADD:0248186,-9.76,S1(=O)(=O)c(cccc2)c2C(Nc3ccc(cc3[N+](=O)[O-])C)=N1,0.0
78528,CO-ADD:0247922,-9.76,N1(c2ccc(c(C)c2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)NC(C)C,0.0
78529,CO-ADD:0247390,-9.76,n1(nncc1C(=O)N\N=C\c2ccccc2)c3nonc3N,0.0
78530,CO-ADD:0253861,-9.76,c(c1)(OC(=O)C=C2C)c2cc3c1OC(=O)C=C3C,0.0
78531,CO-ADD:0255787,-9.76,C1(C(OCCOc2ccccc2)=O)=C(C)NC(NC1c3ccc(c(OC)c3)OC)=O,0.0
78532,CO-ADD:0249967,-9.77,P(c1ccccc1)(c2ccccc2)(=O)Cc(cc3)cc[n+]3[O-],0.0
78533,CO-ADD:0255271,-9.77,C(C(OCCOc1ccccc1)=O)(C2c3ccc(cc3)SC)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
78534,CO-ADD:0255311,-9.77,C(=N)(N(CC1)CCO1)\C(\C#N)=N\Nc(cc2)ccc2F,0.0
78535,CO-ADD:0253466,-9.77,N1(c(cccc2C(c3ccccc3)=O)c2)C(=O)c(c4C1=O)ccc(c4)C(=O)Nc5ccccc5O,0.0
78536,CO-ADD:0250533,-9.77,C12(c3c(NC1=O)cccc3)SC(C(=O)N2c4ccc(cc4)C)C,0.0
78537,CO-ADD:0256201,-9.77,N1(c2ccc(c(Cl)c2)Cl)C(=O)C(=CC1=O)C,0.0
78538,CO-ADD:0255753,-9.77,C1(C(OC\C=C\C)=O)=C(C)NC(=O)NC1c2ccc(cc2)OC,0.0
78539,CO-ADD:0256419,-9.78,C1(\N=C\c(cc(I)c(c2[N+](=O)[O-])O)c2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
78540,CO-ADD:0253399,-9.78,c1(n2cccc2CNC(C)(C)C)sc(c3c1C#N)CCCC3,0.0
78541,CO-ADD:0259409,-9.78,S(=O)(=O)(Cc1ccccc1Cl)Nc2c(C)cccc2C,0.0
78542,CO-ADD:0260073,-9.78,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CCCC2=O)C3c4cccc(Br)c4,0.0
78543,CO-ADD:0259985,-9.79,c1(SCC(=O)Nc(cc2)ccc2OCC)oc(c3n1)cccc3,0.0
78544,CO-ADD:0259475,-9.79,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(NCCOc2cccc(OC)c2)=O,0.0
78545,CO-ADD:0259499,-9.79,c12c(c3c(cccc3)OC1=O)oc(C)c2c4ccccc4,0.0
78546,CO-ADD:0259087,-9.79,N1(C(=O)c2ccc(cc2)OC)N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
78547,CO-ADD:0255114,-9.79,S(=O)(=O)(c1ccc(cc1)\N=C\c2cc(OC)ccc2OC)Nc3ccccn3,0.0
78548,CO-ADD:0253131,-9.79,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c2cc(Br)ccc2OCc3ccccc3)F,0.0
78549,CO-ADD:0248854,-9.79,C(COc1ccccc1)(=O)N\N=C\c2cccc(OC)c2OC,0.0
78550,CO-ADD:0254356,-9.79,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc3c(cc4)c(C)c(c4[N+](=O)[O-])C)o3.Cl,0.0
78551,CO-ADD:0249505,-9.79,C(=C\c(cc1)ccc1OCc2ccccc2)(/C=C(O3)c4ccccc4)\C3=O,0.0
78552,CO-ADD:0255086,-9.8,c1(c(OC)ccc(Cl)c1)NC(=O)CN(CC2)CCN2Cc3ccccc3,0.0
78553,CO-ADD:0259850,-9.8,C(=O)(N(CC1)CCN1Cc2ccccc2)c3ccccc3NC(=O)c4ccco4,0.0
78554,CO-ADD:0259102,-9.8,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(ccc(c3OCC)OCc4ccccc4C#N)c3)\N2,0.0
78555,CO-ADD:0258335,-9.8,c1(NC(CCCCCC)=O)nnc(COc(cc2)ccc2C(C)(C)C)s1,0.0
78556,CO-ADD:0283676,-9.8,N1(c2cccc(c2)C(=O)Nc3cccc(O)c3)C(=O)c(c4C1=O)ccc(C(O)=O)c4,0.0
78557,CO-ADD:0284326,-9.8,C1(Cc2cccc(Br)c2)(Cc3cccc(Br)c3)C(=O)OC(OC1=O)(C)C,0.0
78558,CO-ADD:0259706,-9.8,N12C(S\C(=C\c(cc3)ccc3C(C)C)\C1=O)=NC(C)=C(C(OCC)=O)C2c4c(OC)ccc(cccc5)c45,0.0
78559,CO-ADD:0257220,-9.8,c12n(ncn1N)c(nn2)SCC(=O)Nc(cc3)ccc3CC,0.0
78560,CO-ADD:0278614,-9.81,c1(NC(=O)c2cnccn2)sc(c3c1C(OC)=O)CCC3,0.0
78561,CO-ADD:0258410,-9.81,C12=C(C(NC(c3ccc(cc3)OCc4ccc(cc4Cl)Cl)N1)=O)SC(=S)N2c5ccccc5,0.0
78562,CO-ADD:0278747,-9.81,c1(nonc1c2ccccc2)N(Cc3ccccc3[N+](=O)[O-])N=Nc4nonc4c5ccccc5,0.0
78563,CO-ADD:0291167,-9.81,C12=C(C(N(c3ccccc3)C1=O)c4ccc(cc4)Br)\C(\C(=O)N2c5ccccc5)=C\c(ccc(c6OC)OC)c6,0.0
78564,CO-ADD:0290911,-9.81,N(C(=O)\C(\S1)=C/c(cc2)ccc2Br)=C1N3CCCC(C)C3,0.0
78565,CO-ADD:0291200,-9.81,[N+](=O)([O-])c(cc1)ccc1N2CCC(CC2)Cc3ccccc3,0.0
78566,CO-ADD:0291216,-9.81,c(ccc(c1)OC)(\C(\CCO2)=N/OC(=O)c3ccccc3SC)c12,0.0
78567,CO-ADD:0299988,-9.82,c1(cc(c2o1)cccc2)C(=O)Nc(c(C)cc(c3C(C)C)OC)c3,0.0
78568,CO-ADD:0299996,-9.82,c12c(C(N(C)C(=O)N1C)=O)n(c(Sc3nncn3C)n2)Cc4c(cccc4Cl)Cl,0.0
78569,CO-ADD:0287861,-9.82,S(=O)(=O)(c(ccc(c1C(=O)OC(CC2)CCN2C)Cl)c1)N(CC3)CCO3,0.0
78570,CO-ADD:0291470,-9.82,N1c2c(cccc2)NC(CC(=O)Nc3cccc(Cl)c3)C1=O,0.0
78571,CO-ADD:0292158,-9.82,C(C(c1ccccc1)=O)(C2c3cccc(F)c3)=C(O)C(N2CCCn(ccn4)c4)=O,0.0
78572,CO-ADD:0291502,-9.82,c1(nc(c2ccc(cc2)F)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c(C)c4C(OCC)=O)C(OCC)=O)c1Cl,0.0
78573,CO-ADD:0287424,-9.82,C(C(OCC)=O)(C1c2ccc(cc2)SC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
78574,CO-ADD:0286583,-9.83,c12c(cccc1C(O)=O)C3C(C(c4ccc(cc4)F)N2)CC=C3,0.0
78575,CO-ADD:0287688,-9.83,n1(cc(nc1C)C)C(=O)\C=C\c(ccc(c2OC)OC)c2,0.0
78576,CO-ADD:0287329,-9.83,N(C(=O)CSc1sc(c2n1)cccc2)(c3c4cccc3)C(C)(C)CC4(C)c5cccc(C)c5,0.0
78577,CO-ADD:0287266,-9.83,C(/C(=O)c(c12)cccc1)(\C2=O)=C(\S\C(\C3=O)=C(/C=Cc(c45)cccc4)\N5CC)/N3CC,0.0
78578,CO-ADD:0287938,-9.83,N1(NC(=O)CN2C(=O)c(c3C2=O)ccc(c3)[N+](=O)[O-])C(=O)c4c(cccc4)C1=O,0.0
78579,CO-ADD:0287259,-9.83,c1(SCC(=O)c2cccs2)nc(C)cc(C)c1C#N,0.0
78580,CO-ADD:0288674,-9.83,C(=O)(OC(C)(C)C)N(CCCC1c2n(Cc3ccccc3)c(cn2)C)C1,0.0
78581,CO-ADD:0291544,-9.84,C1(C2(C)C)=C(C(SS1)=S)c3c(cc(cc3)C)N2C(=O)CSc4oc(c5n4)cccc5,0.0
78582,CO-ADD:0288699,-9.84,n1(c(ncc1C)CCNC(=O)OC(C)(C)C)C2CCCCC2,0.0
78583,CO-ADD:0291105,-9.84,C1(\C(=N\c2ccc(cc2OC)OC)\SS3)=C3C(Nc(ccc(OCC)c4)c14)(C)C,0.0
78584,CO-ADD:0299715,-9.84,c12c(c(cc(Oc(c3N4)cccc3)c14)OC)C(c(cccc5)c5C2=O)=O,0.0
78585,CO-ADD:0285594,-9.84,c1(SCc(c(OC)ccc2[N+](=O)[O-])c2)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
78586,CO-ADD:0292755,-9.84,c1(C2c3ccc(cc3)O)c([nH]nc1c4ccc(c(OC)c4)OC)OC(N)=C2C#N,0.0
78587,CO-ADD:0292945,-9.84,c1(C(OCC)=O)c(c2ccccc2)c(sc1N)CC,0.0
78588,CO-ADD:0295606,-9.84,C(C(=O)c1ccc(cc1)C)(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2Cc(cccn4)c4)=O,0.0
78589,CO-ADD:0295660,-9.84,C(C(c1ccccc1)=O)(C2c3ccc(c4c3)OCO4)=C(O)C(N2Cc(cccn5)c5)=O,0.0
78590,CO-ADD:0296132,-9.85,S(C)(=O)(=O)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NCCc(ccc(c3OC)OC)c3,0.0
78591,CO-ADD:0293448,-9.85,C(C(F)(F)F)(C(F)(F)F)(NC(C(C)C)=O)Nc1sc(c2c1C(N)=O)CCCC2,0.0
78592,CO-ADD:0294394,-9.85,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)Nc4ccc(cc4F)F)c1Cl,0.0
78593,CO-ADD:0292255,-9.85,c1(c2ccccc2Cl)nnn(CC(=O)Nc(ccc(c3C)C)c3)n1,0.0
78594,CO-ADD:0293873,-9.86,c1(SC2c3c(c(cccc4)c24)cccc3)nc(c5n1Cc6ccccc6Cl)cc(c(C)c5)C,0.0
78595,CO-ADD:0294815,-9.86,C(=O)(NC1CCCCC1)c(ccc(c23)OCO2)c3,0.0
78596,CO-ADD:0295544,-9.86,n1(c2ccc(cc2)Cl)nnnc1SCc(nc(N)nc3N(CC4)CCO4)n3,0.0
78597,CO-ADD:0295537,-9.86,c1(scc(c2ccc(cc2)C)n1)NC(=O)CN3CCCCC3,0.0
78598,CO-ADD:0293504,-9.86,C(/C(=O)c1ccc(cc1)OC)=C(/NCCO2)\C2=O,0.0
78599,CO-ADD:0295249,-9.86,c1(\N=C\c(cc(I)cc2I)c2O)nonc1N,0.0
78600,CO-ADD:0293187,-9.86,n1(c2c(n3)cccc2)c3S\C(=C/c(cc4)ccc4OC(=O)N(C)C)\C1=O,0.0
78601,CO-ADD:0259615,-9.86,S(=O)(=O)(Nc1ccccc1C(=O)Nc2sc(cc2C(OCC)=O)CC)c3cccc(nsn4)c34,0.0
78602,CO-ADD:0278030,-9.86,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(cc4OCC)cc(c4O)Cl,0.0
78603,CO-ADD:0284547,-9.86,c1(C(O)c2cccc(cccc3)c23)n(CCC)c4c(cccc4)n1,0.0
78604,CO-ADD:0278444,-9.86,C1(C2CC3C4C2CC5C4O5)C3O1,0.0
78605,CO-ADD:0283589,-9.86,c1(nc(c2ccc(Br)o2)cc3C(F)(F)F)n3nc(C(=O)Nc4sc(c(C)c4C(OCC)=O)C(OCC)=O)c1Br,0.0
78606,CO-ADD:0290307,-9.86,C(=N/c1ccccc1)(/S\C(\C2=O)=C\c(c(C)cc(c3C(C)C)OC)c3)\N2C4CCCC4,0.0
78607,CO-ADD:0290323,-9.86,C(c1cccc(OCCC)c1)(O2)=Nc(c3C2=O)ccc(Cl)c3,0.0
78608,CO-ADD:0290364,-9.86,C(=CC(\C=C\c(ccc1c2cc(Cl)cc(Cl)c2)o1)=NC3=O)(C(F)(F)F)N3,0.0
78609,CO-ADD:0285985,-9.86,O[C@@H](C1)[C@H](CC=NNC(C2=CC=NC=C2)=O)[C@@H](/C=C/[C@H](CCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C,0.0
78610,CO-ADD:0287024,-9.87,c1(Cl)nc(Cl)cc(C)c1C(=O)NCc(cc2)ccc2Cl,0.0
78611,CO-ADD:0286753,-9.87,N1(N=C(CC1(O)C(F)(F)F)CCC)C(=O)c2ccccc2Cl,0.0
78612,CO-ADD:0286817,-9.87,S(=O)(=O)(CCc1oc(c2n1)cccc2)c3ccc(cc3)Cl,0.0
78613,CO-ADD:0299452,-9.87,c(c(NCCNC(=O)c1nonc1N)c(C)c(c2[N+](=O)[O-])Cl)(c2)[N+](=O)[O-],0.0
78614,CO-ADD:0299276,-9.87,C(=S)(N(CC1)CCO1)C(=O)Nc(cc2)ccc2C,0.0
78615,CO-ADD:0291291,-9.87,C12(c3ccccc3)C(C(C(=O)N1Cc4ccccc4)=O)=C(c5ccccc5)Nc(cccc6)c6N2,0.0
78616,CO-ADD:0287292,-9.87,N(\C(=C/c1ccccc1OC(=O)c(cc2)ccc2[N+](=O)[O-])\C(O3)=O)=C3c(cc4)ccc4C(C)(C)C,0.0
78617,CO-ADD:0287301,-9.87,c1(C(=O)N2CCCCCC2)c3c(sc1NC(=O)c4ccccc4Cl)CC(C)CC3,0.0
78618,CO-ADD:0290634,-9.88,C1(C)(CC2)C(CC(CC(C)=C(C)C3)C13C(C)=O)C(C24)CCC(=CC(=O)CC5)C45C,0.0
78619,CO-ADD:0290582,-9.88,C(O)(c1ccccc1)(CC(=O)\C=C\c2ccccc2)C(F)(F)F,0.0
78620,CO-ADD:0288901,-9.88,c(n1CCOC)(CC2CCN(C(C(F)(F)F)=O)CC2)nc([N+](=O)[O-])c1C,0.0
78621,CO-ADD:0289381,-9.88,S(C)(=O)(=O)N(Cc(cc1)ccn1)C(CN2)C2.Cl.Cl,0.0
78622,CO-ADD:0299382,-9.88,n1(c2ccc(cc2)F)nnnc1SCc([nH]nn3)n3,0.0
78623,CO-ADD:0299941,-9.88,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(ccc(c3Cl)C)c3)C2c4cccs4,0.0
78624,CO-ADD:0285263,-9.89,c1(C(=O)c(cc2)ccc2C(=O)c3c(N)c(c4s3)ccc(CCC)n4)c(N)c(c5s1)ccc(CCC)n5,0.0
78625,CO-ADD:0285615,-9.89,c1(cc(oc1c2ccccc2)C)C(=O)N(CC3)CCN3c(cc4)ccc4[N+](=O)[O-],0.0
78626,CO-ADD:0286080,-9.89,C12(O)C(=NNC(=S)N1)c(c3N2C(C)=O)cc(cc3)Br,0.0
78627,CO-ADD:0287784,-9.89,S1C(c2cccc(OC)c2)NCC1C(O)=O,0.0
78628,CO-ADD:0293548,-9.89,C1(c2ccccc2)=C(\C=N\NC(=O)c3ccccc3O)C(C=C4)CC14,0.0
78629,CO-ADD:0295067,-9.89,N1C(c(cc2)ccc2C(OC)=O)SCC1C(O)=O,0.0
78630,CO-ADD:0295494,-9.89,c1(O2)c(c(n[nH]1)C)C(C(C#N)=C2N)c3ccc(cc3)OC(=O)c4c(C)onc4c5c(cccc5Cl)Cl,0.0
78631,CO-ADD:0295982,-9.9,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c(cccc1C(F)(F)F)c1)Nc2sc(c3c2C#N)CCCC3,0.0
78632,CO-ADD:0295942,-9.9,c1(C2c(cc3)cc(c3OC(=O)N(CC4)CCO4)OCC)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
78633,CO-ADD:0293705,-9.9,c1(c(C)c(s2)C)c2ncnc1Nc(cc3)ccc3Cl,0.0
78634,CO-ADD:0293247,-9.9,S(=O)(=O)(N(CC1)CCN1c(cc2)ccc2[N+](=O)[O-])c3cccc(cccc4Cl)c34,0.0
78635,CO-ADD:0294715,-9.9,[N+](=O)([O-])c(cc1)cc(c1C(N)=O)SCC(OC)=O,0.0
78636,CO-ADD:0294470,-9.9,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)Nc4c(cccn4)C)c1C)cc(OC)cc3,0.0
78637,CO-ADD:0293366,-9.9,c1(cc(Br)c(c23)cccc2)c3NC(=O)CC1c4cc(OC)ccc4OC,0.0
78638,CO-ADD:0292586,-9.91,c1([nH]c(c2n1)cccc2)\C(=C\c(cc3)ccc3C)\NC(=O)c4ccc(cc4)C,0.0
78639,CO-ADD:0292991,-9.91,c12c(ccc(OC)c1OC)C(OC2=O)Nc3sccn3,0.0
78640,CO-ADD:0277752,-9.91,c1(cc(C)ccc1C)NC(COc(cc2)ccc2F)=O,0.0
78641,CO-ADD:0260022,-9.91,C(=O)(c1ccccc1O)Nc2c(C)cc(cc2C)C,0.0
78642,CO-ADD:0258051,-9.92,n12c(S\C(=C/c3ccco3)\C1=O)nnc2c4ccccc4,0.0
78643,CO-ADD:0277353,-9.92,c1(C(=O)NNC(=O)c2ccoc2C)c(Cl)c3c(cccc3)s1,0.0
78644,CO-ADD:0284319,-9.92,C12(c3c(cccc3)C(=NN1c4ccccc4)c5cc(C)ccc5C)SC(=NN2c(cc6)ccc6[N+](=O)[O-])c7ccccc7,0.0
78645,CO-ADD:0286758,-9.92,S(=O)(=O)(c1ccc(cc1)C)n2c3c(c(\C=N\NC(=O)c4ccccc4N)c2)cccc3,0.0
78646,CO-ADD:0286950,-9.92,c1(C(=O)Oc2cccc(c2)\C=N\c(cc3)ccc3OC)c(Cl)c4c(cccc4)s1,0.0
78647,CO-ADD:0286982,-9.92,C(=O)(Nc1cccc(Cl)c1)CC(C)=O,0.0
78648,CO-ADD:0288043,-9.92,c1(c(cccn2)c2)nc(c3n1c(cc(C(C)(C)C)c(c4C(C)(C)C)O)c4)ccc(c3)[N+](=O)[O-],0.0
78649,CO-ADD:0291388,-9.92,C(=O)(Nc(cc1)cc(c1NC(C)=O)Cl)c2ccco2,0.0
78650,CO-ADD:0285998,-9.93,O=C(C1=CC=NC=C1)N/N=C2C[C@@H]3[C@H](OC(C4=CC=CC=C4)=O)C[C@H](OC(C5=CC=CC=C5)=O)[C@@H]3C\2,0.0
78651,CO-ADD:0291510,-9.93,c(nc(c1ccc(cc1)C)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(CC4)CCN4c5ccc(cc5)F,0.0
78652,CO-ADD:0292190,-9.93,N1(C2c3ccccc3Cl)C(S\C(=C/c(ccc4c5c(Cl)ccc(c5)[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78653,CO-ADD:0291579,-9.93,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)c3ccc(cc3)OC)C2c4ccco4,0.0
78654,CO-ADD:0292181,-9.93,C(NC(C)C(=O)OC(C)C)(=NNC(N1)=O)C1=O,0.0
78655,CO-ADD:0291542,-9.93,c1(c(Cl)c2c(cccc2)s1)C(=O)N(c3c(cc(C)cc3)C(=C45)C(SS4)=S)C5(C)C,0.0
78656,CO-ADD:0291847,-9.93,n(CC(Cl)CS1)(c(c2ccccc2)c(n3)c4ccccc4)c13,0.0
78657,CO-ADD:0299947,-9.93,C(C#N)(C(c1ccccc1OCC)C(C#N)C(N2)=O)=C2SCC=C,0.0
78658,CO-ADD:0286804,-9.93,C(=C/c(ccc1c2cc(Cl)cc(Cl)c2)o1)(/C(=O)N3C)\C(=O)N(C3=S)C,0.0
78659,CO-ADD:0286948,-9.93,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)Nc5ccccc5C,0.0
78660,CO-ADD:0286612,-9.94,c12c(CCNC1c(cc3)ccc3[N+](=O)[O-])c4c(cccc4)[nH]2.Cl,0.0
78661,CO-ADD:0287372,-9.94,N1(c2ccccc2OC)C(=O)C(CCc(cc3)ccn3)(CCc(cc4)ccn4)C(NC1=O)=O,0.0
78662,CO-ADD:0287952,-9.94,N1(c2ccccc2)C(=O)C(CC1=O)Sc3nc(C)cc(C)c3C#N,0.0
78663,CO-ADD:0287352,-9.94,N1(C2c3ccc(cc3)OC)C(S\C(=C/c(ccc(c45)OCO4)c5)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
78664,CO-ADD:0299920,-9.94,C(=C(C)NC(=C1C#N)SCC(=O)Nc2ccc(cc2C)C)(C(=O)Nc3ccccc3C)C1c4cccs4,0.0
78665,CO-ADD:0299295,-9.94,N1(C(=O)c2ccc(cc2)NS(C)(=O)=O)C(C)(C)C=C(c(cc(C)cc3)c13)C,0.0
78666,CO-ADD:0299248,-9.94,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCC3(C(N)=O)N4CCCCC4)C1=O,0.0
78667,CO-ADD:0299794,-9.94,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c(ccc(c34)OCO3)c4)\C1=O)=O,0.0
78668,CO-ADD:0294790,-9.95,c1(c(C)cc(cc1C)C)\C=C(\C#N)/C#N,0.0
78669,CO-ADD:0295173,-9.95,c1(SC(C)C(=O)c2ccc(cc2)OC)[nH]c(c3n1)cccc3,0.0
78670,CO-ADD:0294062,-9.95,c(c1c(SCCCC)cc2)(c23)c(c4c(cccc4)C3=O)on1,0.0
78671,CO-ADD:0294385,-9.95,c1(C(=O)Nc(cc2)ccc2OCC)c3c(sc1N)CC(C)CC3,0.0
78672,CO-ADD:0295118,-9.95,c1(C(N)=O)c(OC)ncc(Cl)c1OC,0.0
78673,CO-ADD:0292379,-9.95,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)Nc(ccc(c3s4)nc4SCc5ccc(c(cccc6)c56)F)c3)n1C,0.0
78674,CO-ADD:0293946,-9.96,c1(nc(C)cc(C)n1)Sc2c3c(cccc3)c(nn2)C,0.0
78675,CO-ADD:0293888,-9.96,N1(Cc2ccccc2)C(=O)\C(=C/Nc3c(OC)c(OC)c(cc3C(OC)=O)OC)\C(NC1=O)=O,0.0
78676,CO-ADD:0294991,-9.96,c1(NC(CSc2oc(c3n2)cccc3)=O)nnc(SCC)s1,0.0
78677,CO-ADD:0295022,-9.96,c1(C2c3cccc(c3)OC(=O)N(CC4)CCO4)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
78678,CO-ADD:0295515,-9.96,C1(SCC(C(O)=O)N1)c2ccccc2Cl,0.0
78679,CO-ADD:0294635,-9.96,N1(C(=O)\C(\SC1=S)=C(/c2c(N3C(C)=O)cccc2)\C3=O)C4=C(C)N(N(c5ccccc5)C4=O)C,0.0
78680,CO-ADD:0283920,-9.97,C(=O)(Nc(cc1)ccc1OCC)C(NCCN(CC2)CCN2Cc3ccc(cc3Cl)Cl)=O,0.0
78681,CO-ADD:0284673,-9.97,c1(C(OCC)=O)cc2c(ccc(OCc3ccccc3)c2)[nH]1,0.0
78682,CO-ADD:0284804,-9.97,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=C\C(C)=O)o2,0.0
78683,CO-ADD:0283908,-9.97,C(C(OCC)=O)(C1c2ccc(c(Br)c2)OC)=C(C)N(C(C)=C1C(OCC)=O)c3ccc(cc3)OCC,0.0
78684,CO-ADD:0277460,-9.97,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(cc3)Br)\N2CCc4ccccc4.Br,0.0
78685,CO-ADD:0291719,-9.97,c12c(n(c(SCC(OCCCCC)=O)n1)CCCC)C(NC(=O)N2C)=O,0.0
78686,CO-ADD:0291793,-9.97,N1(C2c3ccccc3)C(S\C(=C\c(cc(n4c5ccc(cc5)Br)C)c4C)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78687,CO-ADD:0290485,-9.97,c1(S(CCC)(=O)=O)c(C(OC)=O)n(c2c1S(CCC)(=O)=O)cccc2N,0.0
78688,CO-ADD:0290725,-9.98,n1(cnc(cc(C)c(C)c2)c12)S(=O)(=O)c3ccc(cc3)OCCCC,0.0
78689,CO-ADD:0291749,-9.98,C(=O)(NNC(=O)c(cccn1)c1)c2cccs2,0.0
78690,CO-ADD:0291576,-9.98,C1(C2C(CCC=C3)C3)=C(c4c(cccc4)OC1=O)OC(N)=C2C#N,0.0
78691,CO-ADD:0291545,-9.98,c1(\C(=N/O)\C#N)sc(c2n1)cccc2,0.0
78692,CO-ADD:0292105,-9.98,c1(cnc(C)n1Cc2ccccc2Cl)[N+](=O)[O-],0.0
78693,CO-ADD:0292146,-9.98,C(C(c1ccccc1)=O)(C2c3ccc(c(OC)c3)O)=C(O)C(N2CCCCCC)=O,0.0
78694,CO-ADD:0285864,-9.98,C1(=Cc2c(OC1=O)cccc2)C(=O)NC(=S)NNC(=O)c(cc3OC)cc(c3OC)OC,0.0
78695,CO-ADD:0292148,-9.98,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(cc3)Br)=C(O)C(N2c(cc4)ccc4C(OCC)=O)=O,0.0
78696,CO-ADD:0287894,-9.99,C(C(F)(F)F)(C(F)(F)F)(P(OCCCCC)(OCCCCC)=O)NS(c1ccccc1)(=O)=O,0.0
78697,CO-ADD:0287662,-9.99,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)Cl)=C(O)C(N2c4ccccn4)=O,0.0
78698,CO-ADD:0289035,-9.99,c1(C2)c(CCN2C(=O)OC(C)(C)C)n(nc1C(O)=O)C,0.0
78699,CO-ADD:0288685,-10.0,C(N(CCC1c(n2Cc3cc(OC)c(OC)cc3)ncc2C)CC1)(=O)OC(C)(C)C,0.0
78700,CO-ADD:0286101,-10.0,C1(C2OC(C=C2)C1C(O)=O)C(=O)Nc(cc3)ccc3C(OCCCC)=O,0.0
78701,CO-ADD:0299602,-10.0,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c5ccc(cc5)O,0.0
78702,CO-ADD:0285139,-10.0,N1(c2ccc(cc2)I)C(=O)C(CC1=O)S\C(\NCC)=N\c(ccc(c34)OCO3)c4,0.0
78703,CO-ADD:0290415,-10.0,S(C)(=O)(=O)N(Cc(cc1)ccc1C(=O)Nc2c(C)cccc2C)c3ccc(c(C)c3)C,0.0
78704,CO-ADD:0287438,-10.0,N1(CN2CCc(c3C2)cccc3)c(cccc4)c4\C(=N\c(cccc5C(F)(F)F)c5)\C1=O,0.0
78705,CO-ADD:0291975,-10.0,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4cc(OC)ccc4OC)cccc3,0.0
78706,CO-ADD:0299944,-10.01,C(C#N)(C(c1ccccc1)CC(N2)=O)=C2SCC(=O)Nc3ccccc3CC,0.0
78707,CO-ADD:0294024,-10.01,C(=O)(Oc(ccc(c1C)C)c1)Nc2cccc3c2cccc3NC(=O)Oc(ccc(c4C)C)c4,0.0
78708,CO-ADD:0292330,-10.01,N1(Cc2ccco2)C(=O)C3C(C4C(C5C3C=C4)C(C5C6=O)C(N6Cc7ccco7)=O)C1=O,0.0
78709,CO-ADD:0293976,-10.01,c1(NC(=O)c2ccccc2F)n(c3ccccc3)ncc1C(=O)N4CCC(CC4)C(N)=O,0.0
78710,CO-ADD:0296022,-10.01,c1(c2c([nH]c1O)cccc2)N=NC(=O)C(O)(c3cccc(C)c3)c4cccc(C)c4,0.0
78711,CO-ADD:0294949,-10.01,c(N=Nc(cc1)ccc1C(OCC)=O)(c(C)nn2c3ccccc3)c2C,0.0
78712,CO-ADD:0295168,-10.01,c1(cnn(C)c1C(OC)=O)[N+](=O)[O-],0.0
78713,CO-ADD:0294553,-10.02,c(cn(n1)c2ccccc2)(c1c3ccccc3)C4CC(=NN4C(C)=O)c5ccc(cc5)Br,0.0
78714,CO-ADD:0293555,-10.02,c1(c(C)cc(n2)C)c2Nc3c(cc(C)cc3C)C1=O,0.0
78715,CO-ADD:0294046,-10.02,N(\C(=C\c(cccc1[N+](=O)[O-])c1)\C(O2)=O)=C2c3ccc(cc3)Br,0.0
78716,CO-ADD:0293777,-10.02,C(/C)(=N\N=C\c1cccc(c1)\C=N\N=C(\C)/C(/C)=N/O)\C(\C)=N\O,0.0
78717,CO-ADD:0295802,-10.02,s1c(C)nnc1SCc(cccc2C(=O)Nc3ccccc3C(OC)=O)c2,0.0
78718,CO-ADD:0293823,-10.02,C(c1ccc(cc1)OC)(CC(c2ccccc2Cl)NC3=S)(c4ccc(cc4O)O)N3,0.0
78719,CO-ADD:0288513,-10.02,c1(CC(CCN2)C2)ncc(C)n1CCC.Cl.Cl,0.0
78720,CO-ADD:0285450,-10.02,n(c1c2ccc(Oc(cc3)ccc3N)c1)c(c(cc4)ccc4C(=O)c(cc5)ccc5c6c(c7ccccc7)nc(c8n6)ccc(Oc(cc9)ccc9N)c8)c(n2)c%10ccccc%10,0.0
78721,CO-ADD:0285490,-10.02,C(C(=O)c1ccc(cc1)Br)(C2c3ccccc3F)=C(O)C(N2CCCCCC(O)=O)=O,0.0
78722,CO-ADD:0289048,-10.02,c(C(=O)Nc1nnc(C)s1)(nnc2C(OCC)=O)s2,0.0
78723,CO-ADD:0299687,-10.02,N1(c(c2)cc(cc2C(OC)=O)C(OC)=O)C(=O)c(c3C1=O)cccc3N,0.0
78724,CO-ADD:0290580,-10.02,C(/c1ccccc1)(=C/C(=O)c2cccs2)\C(F)(F)C(F)F,0.0
78725,CO-ADD:0284051,-10.02,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)S\C(\NCC)=N\c(ccc(c34)OCO3)c4,0.0
78726,CO-ADD:0258793,-10.03,C1(C(OCCBr)=O)=C(C)NC(NC1c2cccc(cccc3)c23)=O,0.0
78727,CO-ADD:0278203,-10.03,N1(c(ccc(c2s3)nc3SCC(=O)N(CC)CC)c2)C(=O)c(c4C1=O)cccc4,0.0
78728,CO-ADD:0278268,-10.03,c1(SCc(cc2)ccc2I)sc3c(ccc(c3)NC(C4CCCCC4)=O)n1,0.0
78729,CO-ADD:0259112,-10.04,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OC)cc(c5O)OC,0.0
78730,CO-ADD:0283236,-10.04,C(C#N)(C1c(cc2)ccc2N(C)C)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
78731,CO-ADD:0284822,-10.04,N(C1c(cccc2[N+](=O)[O-])c2)(c3noc(C(C)(C)C)c3)C(=O)C(=C1C(c4ccccc4)=O)O,0.0
78732,CO-ADD:0283966,-10.04,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2=O)c4ccc(cc4)Cl)C3c5cc(OCO6)c6cc5[N+](=O)[O-],0.0
78733,CO-ADD:0287725,-10.04,N1(c2ccc(cc2)Oc3ccc(cc3[N+](=O)[O-])C#N)C(=O)C4C(CCCC4)C1=O,0.0
78734,CO-ADD:0288991,-10.04,N1(OC)c2c(cc(C#N)c(F)c2)Oc(cccc3)c3C1=O,0.0
78735,CO-ADD:0291621,-10.04,c12c(n(c(SCCC(C)C)n1)CCCC)C(NC(=O)N2C)=O,0.0
78736,CO-ADD:0291781,-10.04,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(ccc4c5cccc(Cl)c5Cl)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78737,CO-ADD:0292021,-10.04,C12C(OC3(CCCCC3)O1)C(OC4C2OC5(O4)CCCCC5)C(O)=O,0.0
78738,CO-ADD:0292198,-10.05,C(/S\C(\N1CC=C)=C(/SC(N2C)=S)\C2=O)(\C1=O)=C(/Sc(c34)ccc(OC)c3)\N4C,0.0
78739,CO-ADD:0290711,-10.05,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)Cl)=C(O)C(N2CCc4ccccc4)=O,0.0
78740,CO-ADD:0285163,-10.05,C(=C\c(ccc1c2c(OC)ccc(c2)[N+](=O)[O-])o1)(/C3=O)\Sc(c34)cccc4,0.0
78741,CO-ADD:0291549,-10.05,c1(C(=O)Nc(cc2)ccc2NC(C)=O)nn(cc1Br)C,0.0
78742,CO-ADD:0291647,-10.05,C1(c2ccccc2[N+](=O)[O-])=C(Cl)c3c(N(C)C1=O)cccc3,0.0
78743,CO-ADD:0291703,-10.05,n1(c2ccc(cc2)OCC)nc(c3n1)ccc(NC(=O)c4ccccc4Cl)c3,0.0
78744,CO-ADD:0291656,-10.05,N(C(CCCOc1ccc(cc1Cl)Cl)=O)c2cccc(C)n2,0.0
78745,CO-ADD:0289123,-10.05,n1c(CCN(C)C(=O)Nc(cc2)ccc2Cl)noc1c(cc3)ccc3C(O)=O,0.0
78746,CO-ADD:0286887,-10.06,n1(c2ccccc2)c(COc(ccc(c3C)C)c3)nnc1SCC(=O)Nc(ccc(c4s5)nc5SCC(=O)NC6CCCCC6)c4,0.0
78747,CO-ADD:0286511,-10.06,C1(C#N)=C(SCC(=O)Nc(cc2)ccc2Br)NC(C(C#N)C13CCCC(C)C3)=O,0.0
78748,CO-ADD:0300007,-10.06,c1(Nc2ccccc2)nc(Cl)nc(NCc3ccccc3)n1,0.0
78749,CO-ADD:0287034,-10.06,[N+](=O)([O-])c1ccccc1c2ccc(\C=C(\C=C(O3)C)/C3=O)o2,0.0
78750,CO-ADD:0286162,-10.06,C(C(=O)OC(C)CC)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4cccc(OC)c4OC,0.0
78751,CO-ADD:0285560,-10.06,C(=O)(Nc(cc1)ccc1Cl)CCN2CCC(CC2)C,0.0
78752,CO-ADD:0285561,-10.06,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(c3ccccc3)c1CN4CCCCC4,0.0
78753,CO-ADD:0285742,-10.06,C(C(c1ccccc1)=O)(C2c3ccc(c(OC)c3)OC)=C(Nc4ccccc4)C(N2c5ccccc5)=O,0.0
78754,CO-ADD:0299803,-10.06,N1(c2ccc(cc2)Cl)C(=O)NC(\C(=C/c3ccc(cc3OC)OC)\C1=O)=O,0.0
78755,CO-ADD:0295814,-10.06,N1(c2ccc(cc2)Cl)C(=O)CC(N(CC3)CCC3C(O)(c4ccccc4)c5ccccc5)C1=O,0.0
78756,CO-ADD:0293047,-10.06,C(c1ccccc1)(=O)N(CC2)CCN2c3ccc(cc3F)C(CC)=O,0.0
78757,CO-ADD:0294512,-10.07,c1(scc(c2ccccc2)n1)NC(CSc3c(cc(c4n3)CCCC4)C#N)=O,0.0
78758,CO-ADD:0292992,-10.07,C1(Br)(C(=O)c2c(cccc2)C1=O)C3OC(C(Br)=C3Br)=O,0.0
78759,CO-ADD:0293362,-10.07,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5)cc(c5OC(C)=O)OCC)cccc4,0.0
78760,CO-ADD:0296178,-10.07,C1(SCC(C(O)=O)N1)c2cccc(O)c2O,0.0
78761,CO-ADD:0293900,-10.07,c1(cc(ccc1N(CC2)CCO2)NC(=O)c3cccc(c3)Oc4ccc(cc4[N+](=O)[O-])C(F)(F)F)C(F)(F)F,0.0
78762,CO-ADD:0292616,-10.07,N1(c2ccc(cc2)Cl)C(=O)\C(=C/Nc(cc3)ccc3C(=O)N(C)C)\C(NC1=O)=O,0.0
78763,CO-ADD:0295969,-10.07,N1(c2ccc(cc2)Br)C(=O)C(CC1=O)NCc(cc3)ccc3F,0.0
78764,CO-ADD:0292565,-10.07,n12c(cc(c3ccccc3)n1)nc(cc2C(F)(F)F)c4ccccc4,0.0
78765,CO-ADD:0294675,-10.07,c1(cc(OC(C)=O)c(c2Cl)Cl)c2occ1C(C)=O,0.0
78766,CO-ADD:0294659,-10.07,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CSCc3ccccc3,0.0
78767,CO-ADD:0290637,-10.08,N1(C(=O)COc(cc2)ccc2C)c3c(cccc3)C(CC1(C)C)(C)c4ccc(cc4)Cl,0.0
78768,CO-ADD:0286675,-10.08,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCCC2)C(=O)N(CC4)CCN4C,0.0
78769,CO-ADD:0292095,-10.08,c1(C(OCC)=O)c(cc(cc2)OC(=O)c3ccc(cc3)C)c2n(C)c1C,0.0
78770,CO-ADD:0286267,-10.08,N12C(CSC1c3ccc(cc3)Cl)C(N(c4ccc(cc4)Cl)C2=S)=O,0.0
78771,CO-ADD:0290319,-10.09,C(=N\c(cc1)ccc1OC(F)(F)Cl)(/SC=C2c3ccc(Cl)s3)\N2CCc(cc4)ccc4S(N)(=O)=O.Br,0.0
78772,CO-ADD:0290605,-10.09,C(=N/NC(=O)c(cccc1N2CCCC2=O)c1)(/c3c(N4CC(OC)=O)cccc3)\C4=O,0.0
78773,CO-ADD:0259599,-10.09,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
78774,CO-ADD:0284357,-10.09,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)NC4CCCC4)c1Br,0.0
78775,CO-ADD:0284896,-10.09,c1(ccccc1NC(=O)c2cccc(c2)NC(COc(ccc(c3C)C)c3)=O)C(O)=O,0.0
78776,CO-ADD:0288620,-10.09,C(=O)(OC(C)(C)C)N(CCC1n2c(C)cnc2C3CCOCC3)C1,0.0
78777,CO-ADD:0288908,-10.1,c1(nc([N+](=O)[O-])cn1Cc(n2Cc3ccc(Cl)cc3)ncc2C)C,0.0
78778,CO-ADD:0288628,-10.1,C1C(CN(C1)C(OC(C)(C)C)=O)Cn2c(C)ncc2C,0.0
78779,CO-ADD:0288644,-10.1,C(OC(C)(C)C)(=O)N(CC1n(c2C)c(COC)nc2)CCC1,0.0
78780,CO-ADD:0288629,-10.1,C(NC(OC(C)(C)C)=O)Cn(c1C)c(C)nc1,0.0
78781,CO-ADD:0290755,-10.1,S(=O)(=O)(Oc1cccc(cccn2)c12)c3c(Cl)ccc(c3)[N+](=O)[O-],0.0
78782,CO-ADD:0285187,-10.1,c1(C#N)c(C)c(CC(c2ccccc2)=O)c(nc1SCC(O)=O)C,0.0
78783,CO-ADD:0292031,-10.1,c1(NC(=O)Nc2ccccc2)nnc(Cc(cc3)ccc3Cl)s1,0.0
78784,CO-ADD:0292071,-10.11,C(/OC(N1C)=S)(=C(\C=Cc(c23)cc(cc2)C)/N3CC)\C1=O,0.0
78785,CO-ADD:0290377,-10.11,C(C(c1ccccc1)=O)(C2c3cccc(F)c3)=C(O)C(N2CC4CCCO4)=O,0.0
78786,CO-ADD:0290443,-10.11,c1(N)nc(c2n1CCN(CC)CC)cccc2,0.0
78787,CO-ADD:0290724,-10.11,S(=O)(=O)(c1c(Cl)ccc(c1)[N+](=O)[O-])n2cnc(cc(C)c(C)c3)c23,0.0
78788,CO-ADD:0288531,-10.11,c1(C(C2)CC2)ncc(C)n1C(CCCN3)C3.Cl.Cl,0.0
78789,CO-ADD:0291374,-10.11,C(=O)(N(CC1)CCC1(c2ccccc2)C(OCC)=O)c3ccccc3O,0.0
78790,CO-ADD:0291390,-10.12,N1(C(=O)CCC1=O)c(cc2Br)cc(c2NC(C)=O)Br,0.0
78791,CO-ADD:0291604,-10.12,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)Nc4cccc(Cl)c4Cl,0.0
78792,CO-ADD:0287005,-10.12,C(=O)(Nc1ccccc1Cl)Nc2ccc(cn2)Cl,0.0
78793,CO-ADD:0290781,-10.12,C1(=S)c2c(cccc2)OC3(CCCCC3)N1,0.0
78794,CO-ADD:0290320,-10.12,C(=N\c(cc1)ccc1OC(F)(F)F)(/SC=C2c3ccc(Cl)s3)\N2CCc(cc4)ccc4S(N)(=O)=O.Br,0.0
78795,CO-ADD:0286696,-10.12,N(c1cccc(cccc2)c12)(C3=O)C(SCC(=O)c4ccc(cc4)Cl)=Nc5c3c6c(s5)CCCC6,0.0
78796,CO-ADD:0299490,-10.12,N1(c2ccc(cc2)Br)C(=O)c3c(C(C)=N1)cccc3,0.0
78797,CO-ADD:0285380,-10.12,C1(NC(=O)CSS(=O)(=O)[O-])=C(C)N(N(c2ccccc2)C1=O)C.[Na+],0.0
78798,CO-ADD:0285457,-10.12,C1(C(c2ccc(cc2)Cl)OC34C(=O)c(c5C3=O)cccc5)(C4c6ccc(cc6)F)C(=O)c7c(cccc7)C1=O,0.0
78799,CO-ADD:0290573,-10.12,N1(Cc2ccco2)C(=O)\C(\SC1=S)=C(/c3c(N4)cccc3)\C4=O,0.0
78800,CO-ADD:0299354,-10.13,c1(n(CCCc2nnc(N)s2)c3c(cccc3)n1)c4nonc4N,0.0
78801,CO-ADD:0292491,-10.13,c1(nc(C)cc2C(F)(F)F)n2ncc1c3ccccc3,0.0
78802,CO-ADD:0292563,-10.13,N1(c2ccccc2)C(=O)c3c(N=C1SCc(n4)oc(n4)c5ccccc5)cccc3,0.0
78803,CO-ADD:0296089,-10.13,c(S(NCCCC)(=O)=O)(nn(c12)c(C)cc(C)n1)n2,0.0
78804,CO-ADD:0294970,-10.13,N1(C(=O)c2c(cccc2)C1=O)c3nnc(SCC(=O)NCc(cc4)ccc4C)s3,0.0
78805,CO-ADD:0295330,-10.13,n(c1c(n2)cccc1)(c3N)c2c(c(c4cccc(c4)OC(=O)N(C)C)c3C#N)C#N,0.0
78806,CO-ADD:0293786,-10.13,N1(CC(OC)=O)C(=O)c2c(C(C)=N1)cccc2,0.0
78807,CO-ADD:0295963,-10.13,c12c(c(cc3c1oc(c3C#N)N)O)C(c(cccc4)c4C2=O)=O,0.0
78808,CO-ADD:0292386,-10.14,c1(N(CC2)CCN2C(=O)CSc3sc4c(ccc(OCC)c4)n3)sc(c5n1)cccc5,0.0
78809,CO-ADD:0292238,-10.14,[N+](=O)([O-])c1ccc(cc1)C\C(\N)=N\OC(=O)c2ccc(c(OC)c2)OC,0.0
78810,CO-ADD:0293407,-10.14,c1(cc(ccc1N2CCCC(C)C2)[N+](=O)[O-])c([nH]nn3)n3,0.0
78811,CO-ADD:0292352,-10.15,N1(c2ccc(cc2)OCCCC)CC(CC1=O)C(O)=O,0.0
78812,CO-ADD:0292252,-10.15,n(c(c1ccccc1)c2)c3c(c2C(=O)Nc(cc4)ccc4Oc(cc5)ccc5Cl)cc(Br)cc3Br,0.0
78813,CO-ADD:0287984,-10.15,C(C(OCCOC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(c(O)c3)OC,0.0
78814,CO-ADD:0288631,-10.15,C(=O)(OC(C)(C)C)N(CC1n(c2C)c(C3CC3)nc2)CCC1,0.0
78815,CO-ADD:0290757,-10.15,S(=O)(=O)(N(CC1)CCN1c2ccccc2)c3c(OC)ccc(Br)c3,0.0
78816,CO-ADD:0299895,-10.15,S(F)(=O)(=O)CC(SCCSC(Oc1ccccc1)CS(F)(=O)=O)Oc2ccccc2,0.0
78817,CO-ADD:0300055,-10.15,s1c(C)nnc1SCc(c(OC)ccc2C(C)=O)c2,0.0
78818,CO-ADD:0290288,-10.16,N1(C2c3ccccc3OC)C(S\C(=C\c(ccc(c4OCC)OCc(cc5)ccc5F)c4)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
78819,CO-ADD:0283980,-10.16,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3ccc(cc3)Cl)C2c4cc5c(cc4Br)OCO5,0.0
78820,CO-ADD:0259234,-10.16,C(C#N)(C1c2ccc(cc2)F)=C(N)OC(CCCC3=O)=C13,0.0
78821,CO-ADD:0257380,-10.17,c(C#N)(c(\C(\C#N)=C\c(ccc1c2ccc(cc2)Cl)o1)nn3c4ccccc4)c3N([H])[H],0.0
78822,CO-ADD:0257404,-10.17,N(NC(=O)c1cccc(Br)c1)(C(=O)C(C23)C(C=C4)OC24)C3=O,0.0
78823,CO-ADD:0278232,-10.18,C1(=S)NC(NN1c2ccc(cc2)Cl)(C)CCC(C)C,0.0
78824,CO-ADD:0258332,-10.18,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(=O)Nc(cc5)ccc5F)c3)sc6c(ccc(OCC)c6)n1,0.0
78825,CO-ADD:0283888,-10.18,n1(c2ccccc2)c(SCCN(CC3)CCN3CCSc4nnc(c5ccccc5)n4c6ccccc6)nnc1c7ccccc7,0.0
78826,CO-ADD:0257482,-10.18,N1(c2ccccc2)C(=O)CC(N(CCc(cc3)ccc3OC)C(CCC(O)=O)=O)C1=O,0.0
78827,CO-ADD:0257442,-10.18,N1=C(c2ccc(cc2)Br)NN=C(c3ccccc3)c(cc(Cl)cc4C)c14,0.0
78828,CO-ADD:0257402,-10.19,c1(c2Cl)c(cc(cc1SCc3ccccc3)[N+](=O)[O-])sn2,0.0
78829,CO-ADD:0283779,-10.19,c1(nnc(ccc(cccc2)c23)n13)c4c[nH]c(ccc(Br)c5)c45,0.0
78830,CO-ADD:0257488,-10.19,C1(C(OC)=O)=C(C)NC(NC1c2ccc(c(OCC)c2)O)=O,0.0
78831,CO-ADD:0291087,-10.19,C(C(=O)c1ccc(cc1)C)(C2c3ccc(cc3)F)=C(O)C(N2CCCn(ccn4)c4)=O,0.0
78832,CO-ADD:0290948,-10.2,c1(NC(=O)c2cccnc2Cl)sc(c3c1C(OCC)=O)CCCC3,0.0
78833,CO-ADD:0285201,-10.2,C(/SC=C1c2ccc(cc2)C)(=N\c3c(OC)cc(c(OC)c3)Cl)\N1CC.Br,0.0
78834,CO-ADD:0290406,-10.2,c1(NC(=O)c(cccc2C(F)(F)F)c2)sc(c3c1C(OC)=O)CCCCC3,0.0
78835,CO-ADD:0290422,-10.2,C(=C/C=C/c1ccccc1)(/C#N)\C(=O)Nc(cc(C)cc2C)c2,0.0
78836,CO-ADD:0290462,-10.2,c([N+](=O)[O-])(n(CC(C)=O)nc1[N+](=O)[O-])n1,0.0
78837,CO-ADD:0299914,-10.2,S(=O)(=O)(c1ccc(cc1)NC(C)=O)NC(C)(C)Cc(cc2)ccc2Cl,0.0
78838,CO-ADD:0292156,-10.2,c1(scc(c(ccs2)c2)c1C(OCC)=O)NC(NCC(C)=C)=S,0.0
78839,CO-ADD:0291822,-10.2,c(Nc(cc1)ccc1C(OCC)=O)(c2c3cccc2)c4c(n3)cccc4,0.0
78840,CO-ADD:0291559,-10.2,N1(C(C)=O)C(c2cccc(Oc3ccccc3)c2)C(C(OC)=O)=C(NC1=O)C,0.0
78841,CO-ADD:0291473,-10.21,c1(c(C)onc1c2ccccc2Cl)C(=O)Nc3ccccc3C(O)=O,0.0
78842,CO-ADD:0291826,-10.21,c1(NC(COc2ccc(cc2Br)C)=O)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
78843,CO-ADD:0292122,-10.21,c(C(OCC)=O)(c(C)nc1NC(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)s1,0.0
78844,CO-ADD:0299507,-10.21,C(C)(=O)NNc(cc1)ccc1C,0.0
78845,CO-ADD:0299436,-10.21,C(/C(=O)C1)(\C(=O)CC1(C)C)=C(/N2)\c(cccc3C)c3CC2(C)C,0.0
78846,CO-ADD:0299253,-10.21,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCCCCCCC,0.0
78847,CO-ADD:0285516,-10.21,c1(c(OC)cc(c(OC)c1)Cl)NC(CCCCCCCCC)=O,0.0
78848,CO-ADD:0286518,-10.21,C1(C(C(C#N)C#N)c2ccccc2Cl)C(C)=NN(c3ccccc3)C1=O,0.0
78849,CO-ADD:0285794,-10.21,C(c1ccccc1)(=O)N(CC2)CCN2C3(CCCCC3)C#N,0.0
78850,CO-ADD:0286875,-10.21,c1(SCC(=O)Nc2c(C)cc(cc2C)C)sc3c(ccc(c3)NC(CSc4nnc(C)s4)=O)n1,0.0
78851,CO-ADD:0286151,-10.22,C1(=O)OCc(cc(cc2)NC(=O)c3ccc(cc3)F)c12,0.0
78852,CO-ADD:0286468,-10.22,C1(c2ccccc2O)Nc(c3O1)cc(cc3C(C)(C)C)C(C)(C)C,0.0
78853,CO-ADD:0286868,-10.22,c1(c(C)nn(c2ccccc2)c1O)C(c3ccc(cc3)OC(=O)c4ccc(cc4)Cl)c5c(C)nn(c6ccccc6)c5O,0.0
78854,CO-ADD:0299626,-10.22,N1(c(cc2)ccc2C(=O)Nc(cc3)ccc3C(OCC)=O)C(=O)c(c4C1=O)cccc4,0.0
78855,CO-ADD:0293772,-10.22,C1(Nc(cc2)ccc2[N+](=O)[O-])(C(OC)=O)N(c3ccc(cc3)OCC)C(C(O)=C1C(c4ccccc4)=O)=O,0.0
78856,CO-ADD:0296037,-10.22,N1(CC(=O)c2ccc(cc2)C)c3c(N(C)C1=N)cccc3.Br,0.0
78857,CO-ADD:0293103,-10.23,c1(cc(C)c(c2n1)cccc2)Nc3cc(C)ccc3OC,0.0
78858,CO-ADD:0295762,-10.23,C(CCC(N1)=O)(CCC(=O)NCc2ccccc2)(C1)C(=O)NCc3ccccc3,0.0
78859,CO-ADD:0294856,-10.23,C(C)(C)(C(=O)OC(C1(C)C)c2ccccc2)C1=O,0.0
78860,CO-ADD:0295633,-10.23,n1(Cc2ccccc2)c3c(c(CCNC(C)=O)c1C)cccc3,0.0
78861,CO-ADD:0292348,-10.23,S1(=O)(=O)c(cccc2)c2C(N(C)CCOC(=O)CN3C(=O)c(c4C3=O)cccc4)=N1,0.0
78862,CO-ADD:0294931,-10.23,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CC(N2C(C)=O)C)Cl,0.0
78863,CO-ADD:0295747,-10.23,c1(NC(COc2ccc(cc2C)C)=O)sc(c(C)c1C(OCC)=O)C,0.0
78864,CO-ADD:0294879,-10.23,[n+]1([O-])onc(C)c1COc2ccc(cc2OC)C=O,0.0
78865,CO-ADD:0295727,-10.23,c1(SCC(=O)Nc(ccc(c23)OCO2)c3)nccn1C,0.0
78866,CO-ADD:0293895,-10.23,C(/C1)(=C/c(cc2OC)cc(c2OC)OC)\C(=O)\C(\CC1C(C)(C)CC)=C\c(cc3OC)cc(c3OC)OC,0.0
78867,CO-ADD:0286308,-10.24,C(=O)(C(O)(c1ccc(cc1)F)c2ccc(cc2)F)NN(c3ccccc3)C(C)=O,0.0
78868,CO-ADD:0299333,-10.24,N1(c(cc(cc2C(OC)=O)C(OC)=O)c2)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
78869,CO-ADD:0287697,-10.24,N1(CC(=O)Oc(ccc(c23)NC(C=C2C)(C)C)c3)C(=O)C(C4C1=O)CCCC4,0.0
78870,CO-ADD:0286382,-10.24,C1(=COc(c2C1=O)cccc2)C3C4=C(CC(C)(C)CC4=O)NC(C)=C3C(OC)=O,0.0
78871,CO-ADD:0287218,-10.24,N1(c(cccc2C(F)(F)F)c2)C(c3ccccc3)Nc(c4C1=O)cccc4,0.0
78872,CO-ADD:0258795,-10.24,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C(\CC2)/CCC2C(C)(C)C)c3c(OC)ccc(Cl)c3,0.0
78873,CO-ADD:0283118,-10.24,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CCCC2=O)C3c4ccccc4F,0.0
78874,CO-ADD:0278577,-10.24,C(/C#N)(=C/c1cccc(cccc2)c12)\C(=O)Nc(cc3)ccc3C,0.0
78875,CO-ADD:0278298,-10.24,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c3c(cccc3[N+](=O)[O-])Cl,0.0
78876,CO-ADD:0284018,-10.25,S(=O)(=O)(N1CCCC1)c(c(Cl)cc(c2C(=O)NCc(cccn3)c3)Cl)c2,0.0
78877,CO-ADD:0277834,-10.25,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)Nc(cc3)ccc3F,0.0
78878,CO-ADD:0277964,-10.25,n1(nnc(C(OC)=O)c1CNCC(O)c2ccccc2)c3nonc3N,0.0
78879,CO-ADD:0257529,-10.25,c1(nnc(\C=C\c2ccccc2)s1)NC(c3ccccc3)=O,0.0
78880,CO-ADD:0258317,-10.25,N(C(=O)c(cccc1NC(=O)c2cccc(c2)OC(C)=O)c1)c3sccn3,0.0
78881,CO-ADD:0277598,-10.25,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c3ccc(c4c3)cccc4)\N2CCO.Br,0.0
78882,CO-ADD:0259438,-10.26,c1(scc(c2ccc(cc2)Br)n1)NC(CSc3oc(c4n3)cccc4)=O,0.0
78883,CO-ADD:0257885,-10.26,N(CC1)(CCN1Cc2ccccc2)CC(O)COc(cc3)ccc3OCC(O)CN(CC4)CCN4Cc5ccccc5,0.0
78884,CO-ADD:0287547,-10.26,C(=N/c(cc1)ccc1OC)(/SC=C2c3ccc(cc3)I)\N2CCO.Br,0.0
78885,CO-ADD:0287148,-10.26,S(=O)(=O)(C1=C(C)NC(NC1=O)=O)N2c3c([C@]([H])(CN(C)CC4)[C@]24[H])cc(C)cc3.Cl,0.0
78886,CO-ADD:0287759,-10.26,c(C(NCCOc1ccccc1)=O)(cc2c3ccccc3)c4c(n2)ccc(C)c4,0.0
78887,CO-ADD:0291416,-10.26,C(/SC(=C1C(C)=O)c2ccccc2)(\S1)=C(\C(=S)C3(C)C)/c4c(N3)ccc(C)c4,0.0
78888,CO-ADD:0286192,-10.26,C(C#N)(C(c1ccccc1OC)C2C(OC)=O)=C(SCC(N)=O)NC2=O,0.0
78889,CO-ADD:0287825,-10.26,c1(c(C)nn(c2ccccc2)c1Cl)C3C(C#N)=C(N)Oc4c3c(C)[nH]n4,0.0
78890,CO-ADD:0287177,-10.27,c1(ccnn1C)C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2,0.0
78891,CO-ADD:0287553,-10.27,C(=O)(N(CC1)CCN1c2ccccc2Cl)C(O)(c3ccccc3)c4ccccc4,0.0
78892,CO-ADD:0284994,-10.27,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c(ccc(c4OC(C)=O)OCC)c4)cccc3,0.0
78893,CO-ADD:0291527,-10.28,C1(c(cc(Cl)cc2)c2N(C3(C)C)C)=C3SN(c4cccc(C)c4)C1=S,0.0
78894,CO-ADD:0291439,-10.28,c(sc(c12)CC(CC1)C)(N=C(C)OC3=O)c23,0.0
78895,CO-ADD:0285005,-10.28,c1(C2=O)c(sc(COC(C)(C)C3)c13)NC(=S)N2C4CCCCC4,0.0
78896,CO-ADD:0285861,-10.28,C1(S2)(SC(=C2C(OC)=O)C(OC)=O)C(C(OC)=O)=C(C(OC)=O)SC(C(N3C(=O)COc4sc(c5n4)cccc5)(C)C)=C1c6c3cc(C)c(C)c6,0.0
78897,CO-ADD:0291481,-10.28,n12c(nc(cc1C(F)(F)F)c(ccc(c3Cl)Cl)c3)cc(C(=O)Nc(cc4)ccc4Cl)n2,0.0
78898,CO-ADD:0285520,-10.28,N1(c(cc2)ccc2N3C(=O)C(SC3c4ccc(cc4)OC)C)C(=O)C(SC1c5ccc(cc5)OC)C,0.0
78899,CO-ADD:0299751,-10.28,C1(=O)OCc(cc(Br)cc2)c12,0.0
78900,CO-ADD:0299791,-10.28,N1(Cc(cc2)ccc2OC)C(=O)NC(\C(=C/c3cc(OCO4)c4cc3[N+](=O)[O-])\C1=O)=O,0.0
78901,CO-ADD:0286496,-10.28,C1(NP(C)(=O)Oc(cc2)ccc2CC)=C(C)N(N(c3ccccc3)C1=O)C,0.0
78902,CO-ADD:0286922,-10.29,[N+](=O)([O-])c(cccc1C(=O)O\N=C(/C)\c2cccs2)c1,0.0
78903,CO-ADD:0285070,-10.29,C(=O)(N(CC1)CCN1c2ccccc2)C(O)(c3ccccc3)c4ccccc4,0.0
78904,CO-ADD:0285487,-10.29,C(C(c1ccccc1)=O)(C2c3ccc(cc3)C)=C(O)C(N2CCCn(ccn4)c4)=O,0.0
78905,CO-ADD:0289078,-10.29,n(c1ccccc1)(nc(n2)CC)c2CCC(O)=O,0.0
78906,CO-ADD:0290838,-10.29,S(=O)(=O)(N(CC1)CCN1c2ccccc2)c3c(OCC)ccc(OCC)c3,0.0
78907,CO-ADD:0286733,-10.29,C(/S\C(\N1CC=C)=N/c(cc2)ccc2C(C)=O)(\C1=O)=C(/Sc(c34)cccc3)\N4C,0.0
78908,CO-ADD:0284991,-10.29,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccc(c(OC)c4OC)OC)cccc3,0.0
78909,CO-ADD:0296166,-10.29,n1c(csc1C2COc(c3O2)cccc3)c4ccc(cc4OC)OC,0.0
78910,CO-ADD:0294333,-10.29,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccccn5)cccc4,0.0
78911,CO-ADD:0292792,-10.29,c1([N+](=O)[O-])nn(cc1Br)CC(=O)Nc2ccc(cc2C)I,0.0
78912,CO-ADD:0292737,-10.29,N(CCC(N1)=O)(C(=O)CCCl)c2c1cccc2,0.0
78913,CO-ADD:0292919,-10.29,C(O)(=O)CCSCCCCCCCC,0.0
78914,CO-ADD:0292909,-10.3,c(nc(c1ccc(cc1)OC)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)Cc4ccccc4,0.0
78915,CO-ADD:0295897,-10.3,c1(C2c3cccc(Cl)c3Cl)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
78916,CO-ADD:0295470,-10.3,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc5)ccc5[N+](=O)[O-])cccc4,0.0
78917,CO-ADD:0293150,-10.3,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(ccc4N5CCCCC5)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78918,CO-ADD:0295099,-10.3,c1(cc(ccc1N(CC2)CCC2C(=O)Nc3cc(ccc3N4CCCCC4)C(F)(F)F)C(F)(F)F)[N+](=O)[O-],0.0
78919,CO-ADD:0295465,-10.3,c1(N2CCC(CC2)Cc3ccccc3)nc(Cl)nc(NCCO)n1,0.0
78920,CO-ADD:0292923,-10.3,C(O)(CSc1ccccc1)=O,0.0
78921,CO-ADD:0300077,-10.3,n1(c2c(n3)cccc2)c3S\C(=C/c(cc(OC)c(c4Br)O)c4Br)\C1=O,0.0
78922,CO-ADD:0289194,-10.31,[nH](c(C(CCN1)CC1)nn2)c2c3ccccc3.Cl,0.0
78923,CO-ADD:0259826,-10.31,C1(C(=O)OCC2CCCCC2)=C(C)NC(NC1c(ccc(c34)OCO3)c4)=O,0.0
78924,CO-ADD:0257905,-10.31,C(F)(F)(F)c(ccc(n1)N\N=C\c(cc2)ccc2Cl)c1,0.0
78925,CO-ADD:0259166,-10.31,C(=N/c1ccccc1)(/SC=C2c3ccc(cc3)C)\N2CCc4ccccc4.Br,0.0
78926,CO-ADD:0279115,-10.32,S(=O)(=O)(c1ccc(cc1)Cl)Nc(c(C)cc(c2C(C)C)O)c2,0.0
78927,CO-ADD:0277580,-10.32,C1(C#N)=C(SCC(OCc2ccccc2)=O)NC(=O)CC1c3ccccc3OC,0.0
78928,CO-ADD:0284032,-10.32,C(/S\C(\C1=O)=C\c(ccc(c2OCC)OCc(cc3)ccc3F)c2)(=N\C(C)=O)\N1,0.0
78929,CO-ADD:0278526,-10.32,[nH]1c(C)c(c(C)c1C=O)C,0.0
78930,CO-ADD:0300046,-10.32,C(C#N)(C(CC(N1)=O)c(ccc(c2OCc3ccccc3)OC)c2)=C1SCC,0.0
78931,CO-ADD:0289151,-10.32,N(C1)(CC1NC(CC2)CCO2)C(=O)OC(C)(C)C,0.0
78932,CO-ADD:0288540,-10.32,c1(C(CC2)C2)ncc(C)n1C(CC3)CCN3.Cl.Cl,0.0
78933,CO-ADD:0287452,-10.32,C(=N/c1ccccc1)(/SC=C2c3ccc(cc3)OC)\N2CCO,0.0
78934,CO-ADD:0299370,-10.33,C(=C/c(ccc(c1[N+](=O)[O-])O)c1)(/C2=O)\Sc(c23)cccc3,0.0
78935,CO-ADD:0288006,-10.33,[N+](=O)([O-])c1ccc(cc1)N\N=C(/C)\c2ccco2,0.0
78936,CO-ADD:0288762,-10.33,C1(CC(CC2)N(C3CC3)C(=O)c4ccccc4)(O2)CCN(CC1)C(c(c5)oc([N+](=O)[O-])c5)=O,0.0
78937,CO-ADD:0289009,-10.33,c1(C(=O)Nc2cccc(F)c2)sc(nn1)COCC(O)=O,0.0
78938,CO-ADD:0287465,-10.33,N1(N(C)C)\C(=N\c2ccccc2)\S\C(=C\c(cc(OCO3)c3c4)c4Br)\C1=O,0.0
78939,CO-ADD:0291018,-10.33,S(=O)(=O)(N(CC1)CCN1C)c2cc(C)ccc2OC,0.0
78940,CO-ADD:0291036,-10.34,c1(N2CCCCC2C)nc(non3)c3nc1N4CCCCC4C,0.0
78941,CO-ADD:0290813,-10.34,C1(C#N)(C#N)C(N)=C(C#N)C(C2C1c3c4c([nH]c3)cccc4)=CCC(C(C)(C)C)C2,0.0
78942,CO-ADD:0291205,-10.34,c1(C2=O)c(sc(CC(CC)CC3)c13)N=C(SCC(=O)Nc(cc4)ccc4F)N2c5ccccc5,0.0
78943,CO-ADD:0291202,-10.34,C1(C(c2ccccc2)=O)=C(O)C(N(c3ccc(cc3)OC)C1(O)C(OC)=O)=O,0.0
78944,CO-ADD:0285240,-10.35,C1(=NC(=O)NC2=O)C2=Cc(cccc3)c3N1c4ccc(cc4)I,0.0
78945,CO-ADD:0289166,-10.35,C1(=O)OCc(cc2C(O)=O)c1cc2,0.0
78946,CO-ADD:0288730,-10.35,c1nc([N+](=O)[O-])cn1Cc2sc(nn2)C(Nc3cc(Cl)ccc3)=O,0.0
78947,CO-ADD:0288063,-10.35,C1(=Cc2c(OC1=O)cccc2)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
78948,CO-ADD:0288004,-10.35,C(NC(CC)=O)(C(F)(F)F)(C(F)(F)F)Nc1sc(c2c1C(N)=O)CCCC2,0.0
78949,CO-ADD:0291397,-10.35,n(c1C)c2c(c(O)c1CCC(O)=O)cccc2C,0.0
78950,CO-ADD:0285374,-10.35,c1(NC(CSc2nnc(N)s2)=O)nnc(SCC(=O)Nc3ccccc3)s1,0.0
78951,CO-ADD:0285767,-10.35,n(Cc1ccccc1F)(c2c(c3\C=C(\C4=O)/Sc(c45)cccc5)cccc2)c3,0.0
78952,CO-ADD:0285391,-10.35,S(=O)(=O)(N1CCCC1)c2cc(ccc2N3CCC(CC3)c4ccccc4)[N+](=O)[O-],0.0
78953,CO-ADD:0287794,-10.35,c1(OC(N)=C(C2c3cccc(Cl)c3)C#N)c2c([nH]n1)C,0.0
78954,CO-ADD:0286321,-10.35,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4ccc(c(OC)c4)OC(=O)Nc5cccc(Cl)c5,0.0
78955,CO-ADD:0286371,-10.35,N1(C2c3ccc(cc3OC)OC)C(S\C(=C\c(ccc4c(cc5)ccc5C(O)=O)o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
78956,CO-ADD:0285697,-10.35,N1(c2cc(C)ccc2C)C(=O)\C(\SC1=N)=C/c(c(cccc3)c3n4Cc(ccc(c5Cl)Cl)c5)c4,0.0
78957,CO-ADD:0291189,-10.35,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)NC(C)C,0.0
78958,CO-ADD:0292765,-10.36,c12c(c(cc(C)n1)C)c(c(cc(C)cc3C)c3n2)N,0.0
78959,CO-ADD:0294077,-10.36,n12c(nc(cc1C(F)(F)F)c3ccccc3)cc(C(=O)NNC(=O)C(C)Oc4c(Cl)ccc(Cl)c4)n2,0.0
78960,CO-ADD:0294061,-10.36,C(/N1)(\c2c(CC13CCCCC3)cc(OC)c(OC)c2)=C\C(OCC)=O,0.0
78961,CO-ADD:0293623,-10.36,C(C#N)(C1c2ccccc2Cl)=C(SCC)NC(CCCC3=O)=C13,0.0
78962,CO-ADD:0293190,-10.36,c12c(C(N(C)C(=O)N1C)=O)nc(SCC(O)=O)n2Cc3ccc(cc3Cl)Cl,0.0
78963,CO-ADD:0295059,-10.36,c12c(n(c(Cl)n1)CCCCCCCCC)C(N(C)C(=O)N2C)=O,0.0
78964,CO-ADD:0294118,-10.37,c(C(OC)c1ccccc1)(o2)c(c3ccccc3)c(c2c4C)cc5c4OC(C=C5C)=O,0.0
78965,CO-ADD:0292655,-10.37,n1(n2)c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc2C(=O)N(CC4)CCN4c5ccccc5,0.0
78966,CO-ADD:0292582,-10.37,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2C(=O)c3ccc(cc3)Br)F,0.0
78967,CO-ADD:0295495,-10.37,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c(ccc(c3[N+](=O)[O-])N(CC4)CCO4)c3,0.0
78968,CO-ADD:0294071,-10.37,C(C(OCC)=O)(C1c2ccc(c(OC)c2)O)=C(O)C(N1c3ccccc3)=O,0.0
78969,CO-ADD:0293297,-10.37,C12=C(CCCC1=O)c3c(ccc4c3cccn4)NC2c(cc5OC)cc(c5OC)OC,0.0
78970,CO-ADD:0292404,-10.37,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c4cccc(F)c4)\C1=O,0.0
78971,CO-ADD:0292247,-10.37,c(C(=O)c1ccc(cc1)Cl)(c(C)c(c2c3C)cc4c3OC(C=C4C)=O)o2,0.0
78972,CO-ADD:0293244,-10.37,c12c(cc(cc1C(c3ccccc3)=O)Cl)C(C4Cl)C(C(c5ccc(cc5)Br)N2)CC4Sc6ccccc6[N+](=O)[O-],0.0
78973,CO-ADD:0294036,-10.37,C(/C(O)=O)(\NC(c1ccccc1)=O)=C/c(cc(OCO2)c2c3)c3Cl,0.0
78974,CO-ADD:0299866,-10.38,C(=C/c(ccc1c(cccc2C(OCCCC)=O)c2)o1)(/C(=O)NC(N3)=S)\C3=O,0.0
78975,CO-ADD:0300028,-10.38,C1(c2ccc(cc2)OC)=Cc3c(OC1=O)ccc(Br)c3,0.0
78976,CO-ADD:0285417,-10.38,n1(c2ccccc2)c(COc3ccccc3)nnc1SCC(=O)c4cccs4,0.0
78977,CO-ADD:0283108,-10.38,C(=O)(CN(CC1)CCN1CC#N)Nc(cc2)ccc2C(OC)=O,0.0
78978,CO-ADD:0278060,-10.38,c1(NC(=O)c2ccc(cc2)C)n(c3ccccc3)ncc1C(=O)N4CCCCCC4,0.0
78979,CO-ADD:0279020,-10.38,N1(C)C(=O)\C(\SC1=S)=C/c(cc2)ccc2NC(C)=O,0.0
78980,CO-ADD:0278349,-10.38,N1(CC(CC1C(=O)NC2CCCCCC2)O)C(=O)OC(C)(C)C,0.0
78981,CO-ADD:0278254,-10.38,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(cc4OCC)cc(c4O)Cl)\C1=O,0.0
78982,CO-ADD:0288526,-10.38,n1(Cc(ccc(c2OC)OC)c2)c(C)cnc1C(CC3)CCN3.Cl.Cl,0.0
78983,CO-ADD:0285345,-10.38,n1(c2c(n3)cccc2)c3S\C(=C\c4ccco4)\C1=O,0.0
78984,CO-ADD:0285746,-10.38,C1(C)(C)C(C1(C)C)C(=O)Nc2ccc(cn2)Cl,0.0
78985,CO-ADD:0285066,-10.38,N1(c2ccc(cc2)OC)C(C(OCC)=O)C(=C(Nc(cc3)ccc3OC)C1=O)C,0.0
78986,CO-ADD:0292079,-10.38,n1(ncn2)c2nc(C)cc1Nc(c(C)ccc3[N+](=O)[O-])c3,0.0
78987,CO-ADD:0285372,-10.38,C(C(OCC)=O)(C(c1ccccc1)N2)=C(CN(CC)CC)N(C2=O)C,0.0
78988,CO-ADD:0299426,-10.38,N1(c2ccc(cc2)Cl)C(=O)c3c(cc(cc3)Oc(cc4)ccc4[N+](=O)[O-])C1=O,0.0
78989,CO-ADD:0291624,-10.38,c(ncn1CC(NN)=O)(C(=O)N(C)C(N2C)=O)c12,0.0
78990,CO-ADD:0299355,-10.39,C(=CC(\C=C\c(cc1)ccc1C#N)=NC2=O)(C(F)(F)F)N2,0.0
78991,CO-ADD:0299363,-10.39,c1(c2ccccc2Cl)nnn(CC(=O)Nc(cc3)ccc3Br)n1,0.0
78992,CO-ADD:0299403,-10.39,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C,0.0
78993,CO-ADD:0290962,-10.39,n1(c2c(nn1)cccc2)S(=O)(=O)c3ccc(c(Cl)c3Cl)Cl,0.0
78994,CO-ADD:0290876,-10.39,n1(c2ccccc2)c(COc(cccc3N(C)C)c3)nnc1S,0.0
78995,CO-ADD:0291286,-10.39,n12c(S\C(=C/c3c4c([nH]c3C)cccc4)\C1=O)nc(cc(Br)cn5)c25,0.0
78996,CO-ADD:0290665,-10.39,S(=O)(=O)(c1ccc(cc1)C)\N=C(/N)\SC,0.0
78997,CO-ADD:0290545,-10.4,C(=C\c(ccc1c2ccccc2F)o1)(/C3=O)\Sc(c34)cccc4,0.0
78998,CO-ADD:0290425,-10.4,c1(c2c(sc1NC(=O)c3ccc(cc3)C)CCCCC2)C(=O)Nc4ccccc4Cl,0.0
78999,CO-ADD:0285675,-10.4,[N+](=O)([O-])c1ccc(cc1)\C=C\c2ccccc2,0.0
79000,CO-ADD:0285691,-10.4,s1c(C(C)C)nnc1NC(CSc2ccccc2)=O,0.0
79001,CO-ADD:0285244,-10.4,c1(c(C)oc(c2ccccc2)c1)C(=O)N(CC3)CCN3c(cc4)cc(c4[N+](=O)[O-])N5CCCC5,0.0
79002,CO-ADD:0284942,-10.4,N1(c2cccc(F)c2)C(=O)\C(\SC1=S)=C/c(cc(Br)cc3Br)c3OC,0.0
79003,CO-ADD:0285249,-10.4,c(cc(C(OCCCC)=O)cc1[N+](=O)[O-])([N+](=O)[O-])c1N(CC2)CCN2CCO,0.0
79004,CO-ADD:0284955,-10.4,S1(=O)(=O)c(cccc2)c2C(Nc(cc3)ccc3S(=O)(=O)N(CCOC(=O)c4ccc(cc4)Cl)c5ccc(cc5)C)=N1,0.0
79005,CO-ADD:0286339,-10.4,C12(N(CC3)CCN3C)C(CCCC1)=Cc(c(ccc4[N+](=O)[O-])O2)c4,0.0
79006,CO-ADD:0286444,-10.41,c1(N2CCC(CC2)Cc3ccccc3)nc(N\N=C/c(ccc(c4OC)OCC#N)c4)nc(Nc(cc5)ccc5C)n1.Cl,0.0
79007,CO-ADD:0287793,-10.41,c1(c(C)nn(c2ccccc2)c1Cl)C3C(C#N)=C(N)OC(C)=C3C(OCC=C)=O,0.0
79008,CO-ADD:0286398,-10.41,C(C#N)(C(CC(N1)=O)c(ccs2)c2)=C1SCC(N)=O,0.0
79009,CO-ADD:0286335,-10.41,P(CC)(CC)(CCc1ccccc1O)=O,0.0
79010,CO-ADD:0286320,-10.41,c1(OC(=O)C=C2c3ccccc3)c2ccc(OC(c4ccccc4)=O)c1C,0.0
79011,CO-ADD:0294796,-10.41,c1(nccn1CC)C(O)c2cc(OC)ccc2OC,0.0
79012,CO-ADD:0295210,-10.41,S1(=O)c(cc(N=[N+]=[N-])cc2N=[N+]=[N-])c2C(=O)N1C,0.0
79013,CO-ADD:0292769,-10.42,c1(CN(c2ccccc2)C(=O)CN(CC3)CCO3)n(C)c4c(cccc4)c1C#N,0.0
79014,CO-ADD:0294357,-10.42,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3C(=O)N(C)C,0.0
79015,CO-ADD:0293659,-10.42,C(OCc1ccccc1)(=O)Nc(cc2)ccc2C,0.0
79016,CO-ADD:0294809,-10.42,N1(c2ccc(cc2)Oc3ccccc3)C(=O)C(C(C4)C1=O)CC=C4,0.0
79017,CO-ADD:0295646,-10.43,C(=C\c(cc(n1C2CCCCC2)C)c1C)(/C(=O)NC(N3)=S)\C3=O,0.0
79018,CO-ADD:0295161,-10.43,N1(CCNC(CCc(cc2C(C)(C)C)cc(c2O)C(C)(C)C)=O)C(C)(O)C3(OC1=O)CCCCC3,0.0
79019,CO-ADD:0293728,-10.43,S(c1ccccc1)(=O)(=O)N(c2ccc(c(C)c2)C)CC(NCCCC3CCCCC34OCCO4)=O,0.0
79020,CO-ADD:0292455,-10.43,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C/c(cc5OC)cc(c5O)Br)\C6=O)N36)N(C(=O)N1C)C,0.0
79021,CO-ADD:0292448,-10.43,c12c(C(N(C)C(=O)N1C)=O)n(c(N(CC3)CCO3)n2)CC(=O)c4ccc(cc4)Cl,0.0
79022,CO-ADD:0294736,-10.43,C(C(c1ccccc1)=O)(C2c3ccccc3Cl)=C(O)C(N2CCN(C)C)=O,0.0
79023,CO-ADD:0294495,-10.43,C(C(c1ccccc1)=O)(C2c3ccc(cc3)F)=C(O)C(N2CCCC(O)=O)=O,0.0
79024,CO-ADD:0292290,-10.43,N1(c2ccccc2)C3(CCC(CC3)C)Nc(c4C1=O)cccc4,0.0
79025,CO-ADD:0294037,-10.43,C(/C(O)=O)(=C/c1ccccc1OC)\NC(c2ccccc2)=O,0.0
79026,CO-ADD:0293787,-10.43,N1(CC(=O)N(CC)CC)C(=O)c2c(C(C)=N1)cccc2,0.0
79027,CO-ADD:0295914,-10.44,C(C#N)(C1c2ccc(cc2)OCCCC)=C(N)OC(CCCC3=O)=C13,0.0
79028,CO-ADD:0292676,-10.44,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc4cccc(cccc5)c45)n2,0.0
79029,CO-ADD:0290661,-10.44,c1(C(=O)OC(C)C)c(C)c(sc1NC(=O)c(ccc(c23)OCO2)c3)C(=O)N(CC)CC,0.0
79030,CO-ADD:0286113,-10.44,c1(C(=O)N(CC2)CCN2C)c3c(sc1NC(=O)c4cccc(C)c4)CC(C)CC3,0.0
79031,CO-ADD:0286897,-10.44,C12(c(cccc3)c3C(c4ccc(cc4)Br)(c5ccc(cc5)Br)S1)N(c6ccccc6)N=C(C(C)=O)S2,0.0
79032,CO-ADD:0286921,-10.44,C(=O)(O\N=C(/C)\c1cccs1)c2ccco2,0.0
79033,CO-ADD:0285739,-10.44,C12=C(c3c(cccc3)CC1(CC)C4CCCCC4)N=C(SCc5ccccc5)NC2=O,0.0
79034,CO-ADD:0286544,-10.44,N12C(COC(=O)Nc3ccccc3)(COC1c4ccccc4)COC2c5ccccc5,0.0
79035,CO-ADD:0278086,-10.44,C1(CC(CC12)CC2)NC(=O)\C=C\c3ccccc3Cl,0.0
79036,CO-ADD:0258052,-10.44,N1C(=O)\C(\SC1=S)=C/c(cc2OC)cc(c2OC)Br,0.0
79037,CO-ADD:0285388,-10.45,c12c(c(n[nH]1)c3ccc(cc3)C)C(N(c4ccccc4)C2=O)c5ccc(cc5)OC,0.0
79038,CO-ADD:0285997,-10.45,O=C(NNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=NC=C4,0.0
79039,CO-ADD:0299373,-10.45,c1(nc(c2n1Cc3cccc(cccc4)c34)cccc2)c5nonc5NC(CC)=O,0.0
79040,CO-ADD:0299397,-10.45,N1(c(cc2)ccc2C(=O)Nc(cccc3C(C)=O)c3)C(=O)c4c(cccc4)C1=O,0.0
79041,CO-ADD:0299398,-10.45,N1(c(cc2)ccc2C(=O)Nc3cccc(cccc4)c34)C(=O)c5c(cccc5)C1=O,0.0
79042,CO-ADD:0288987,-10.45,N1(Cc2c(Oc(nccn3)c13)cccc2)C(OC)=O,0.0
79043,CO-ADD:0289262,-10.45,S(=O)(=O)(N1CCC(CC1)CC(=O)N(CC2)CCN2)c(c3C)c(C)on3.Cl,0.0
79045,CO-ADD:0290483,-10.46,c1(S(CCC)(=O)=O)c(C(c2ccccc2)=O)n(c3c1S(CCC)(=O)=O)cccc3C,0.0
79046,CO-ADD:0290477,-10.46,C(=C(\N1)/NCC1)(/S(CCCC)(=O)=O)\S(CCCC)(=O)=O,0.0
79047,CO-ADD:0290695,-10.46,C1(OC(c2ccccc2)=O)C(OC(c3ccccc3)=O)C(OC1OC(C)=O)COC(c4ccccc4)=O,0.0
79048,CO-ADD:0287591,-10.46,C1(c2ccccc2)(C(C[N+](=O)[O-])c(ccc(c34)OCO3)c4)C(=O)c(c5C1=O)cccc5,0.0
79049,CO-ADD:0285275,-10.46,c1(NC(=O)c2cccc(C)c2)sc(c(C)c1C#N)C(OCC)=O,0.0
79050,CO-ADD:0285819,-10.46,C(F)(F)(F)C(=O)Nc(cccc1C(=O)\C=C\c(cccc2NC(=O)C(F)(F)F)c2)c1,0.0
79051,CO-ADD:0285806,-10.46,c1(ccc(C=O)o1)c2cc(OC)c(cc2OC)Cl,0.0
79052,CO-ADD:0285656,-10.46,c12c(nnc(SCC(=O)Nc(cc3)ccc3OC(F)(F)Cl)n1)c4c(cccc4)n2C,0.0
79054,CO-ADD:0285020,-10.46,n1(nnc(C(=O)N\N=C\c(ccc(c2CSc3oc(c4n3)cccc4)OC)c2)c1CN(CC5)CCO5)c6nonc6N,0.0
79055,CO-ADD:0285541,-10.46,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(cc4)cc(c4OC(=O)c5cccs5)OC,0.0
79056,CO-ADD:0299532,-10.46,c1(NC(=O)C23CC(CC4C2)CC(C4)C3)sc(c(C)c1C(OCC)=O)C(=O)Nc5ccc(cc5OC)OC,0.0
79057,CO-ADD:0299566,-10.47,C(=O)(N\N=C(/C)\CC(=O)Nc1ccccc1C)C(=O)Nc2ccccc2C,0.0
79058,CO-ADD:0299606,-10.47,C(C(c1ccccc1)=O)(=C(O)C(N2CCOC)=O)C2c3ccccc3[N+](=O)[O-],0.0
79059,CO-ADD:0285529,-10.47,c1(c2nc(cccc3)c3n1)\C(=N/OC(=O)c4ccc(c(OC)c4)OC)\c5c2cccc5,0.0
79060,CO-ADD:0294603,-10.47,c1(c2ccc(cc2)OC(=O)c3ccc(cc3)C)sc4c(ccc(C)c4)n1,0.0
79061,CO-ADD:0295841,-10.47,c1(C(=O)Nc2ccccc2OCC)c3c(sc1NC(=O)C45CC(CC6C4)CC(C6)C5)CC(C)CC3,0.0
79062,CO-ADD:0294735,-10.47,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Cl)=C(O)C(N2CCOC)=O,0.0
79063,CO-ADD:0293666,-10.47,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5)ccc5C(C)C)cccc4,0.0
79064,CO-ADD:0295406,-10.47,c1(OC(N)=C(C2c3ccc(c(OC)c3)OC)C#N)c2c(n[nH]1)CC,0.0
79065,CO-ADD:0293406,-10.48,C(/c(cc(C)cc1)c12)(\C(=S)C(N2C(C(C)CC)=O)(C)C)=C(/S3)\SC(=C3C(OC)=O)C(OC)=O,0.0
79066,CO-ADD:0295968,-10.48,c(c1c([nH]2)cccc1)(c2)\C=C(\C(OC)=O)/NC(=O)C(F)(F)F,0.0
79067,CO-ADD:0293721,-10.48,C(=O)(c1c2cccc1)OC(=N2)\C=C\c3ccccc3OC(C)=O,0.0
79068,CO-ADD:0292601,-10.48,N1(C)C(=O)\C(\N(C)C1=S)=C\C=C(/Oc(c23)cccc2)\N3CC,0.0
79069,CO-ADD:0293454,-10.48,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1cccc(F)c1)Nc2sc(c3c2C(OC)=O)CCCC3,0.0
79070,CO-ADD:0293641,-10.48,C1(=C(C)NC(C(C#N)=C1c2cccc(F)c2)=S)C(=O)Nc3ccccc3C,0.0
79071,CO-ADD:0295529,-10.49,S1(=O)c(cc(cc2NCc3ccccc3)[N+](=O)[O-])c2C(=O)N1C,0.0
79072,CO-ADD:0294126,-10.49,c1(sc(c2n1)cccc2)NC(=O)\C(\C#N)=C/c(ccc3c(cccc4C(F)(F)F)c4)o3,0.0
79073,CO-ADD:0292500,-10.49,N1(CCSC1C(N)=O)c2ccccc2,0.0
79074,CO-ADD:0294662,-10.49,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(C)c1CNCCN(CC)CC.Cl.Cl,0.0
79075,CO-ADD:0296133,-10.49,S(=O)(=O)(N(C)C)N(CC1)CCN1c(cc2)cc(c2[N+](=O)[O-])NCCc(ccc(c3OC)OC)c3,0.0
79076,CO-ADD:0292657,-10.5,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)Nc(cc4)ccc4OC(F)(F)F)n2,0.0
79077,CO-ADD:0293417,-10.5,c1(N(CC2)CCO2)nc(NC3CCCC3)nc(NC(C)C)n1,0.0
79078,CO-ADD:0284550,-10.5,c1(C(O)c(cc(C(C)(C)C)c(c2C(C)(C)C)O)c2)n(C(C)C)c3c(cccc3)n1,0.0
79079,CO-ADD:0277871,-10.5,C1(C)(C(NCCc(ccc(c2OC)OC)c2)=O)CC1(Br)Br,0.0
79080,CO-ADD:0278830,-10.5,c1(NC(=O)c2ccc(cc2)C)n(c3ccccc3)ncc1C(=O)Nc(cc4)ccc4C,0.0
79081,CO-ADD:0277487,-10.5,N1(CN2CCCC2)C(=O)\C(\SC1=S)=C\c(cc3)ccc3C,0.0
79082,CO-ADD:0277919,-10.5,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4c5ccccc5,0.0
79083,CO-ADD:0277912,-10.51,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)NCc4cccs4)c1Br,0.0
79084,CO-ADD:0288760,-10.51,C12(CCN(CC1)C(c3oc([N+](=O)[O-])cc3)=O)CC(CCO2)Cc4ccc(C)cc4,0.0
79085,CO-ADD:0289170,-10.51,C(=O)(OC(C)(C)C)N(CCC1=C2C=CC(N1)=O)C2,0.0
79086,CO-ADD:0288859,-10.51,CC(C)NC(NCC#C)=O,0.0
79087,CO-ADD:0288853,-10.51,C(CCc(n1)[nH]c(cccc2)c12)(NCC#C)=O,0.0
79089,CO-ADD:0289346,-10.51,c1(C(=O)Nc2cccc(Cl)c2)nnc(C(CCCN3)C3)s1.Cl,0.0
79090,CO-ADD:0290505,-10.52,N(/C#N)=C(/Nc1ccccc1)\SCSCCCCCCCC,0.0
79091,CO-ADD:0290410,-10.52,S(C)(=O)(=O)N(Cc(cc1)ccc1C(=O)Nc2c(C)ccc(Cl)c2)c3ccc(c(C)c3)C,0.0
79092,CO-ADD:0287468,-10.52,C(=C(\C1)/CCCCC1)(/C#N)\C(=O)Nc2ccccc2Cl,0.0
79093,CO-ADD:0287726,-10.52,n1(nnc(C(=O)OC(C)C)c1CN(CC2)CCC2C(N)=O)c3nonc3N,0.0
79094,CO-ADD:0291369,-10.52,N1(c2ccccc2)C(=O)CC(NC(COc(cc3)ccc3Cl)=O)=N1,0.0
79095,CO-ADD:0287422,-10.52,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
79096,CO-ADD:0285829,-10.52,S(=O)(=O)(N(CC1)CCO1)c2cc(ccc2N(CC3)CCN3CCO)[N+](=O)[O-],0.0
79097,CO-ADD:0285855,-10.52,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(CC)=O)cc(cc3C)C,0.0
79098,CO-ADD:0287027,-10.52,c1(nn(cn1)Cc2ccccc2)S(=O)(=O)NC(=O)NC3CCCCC3,0.0
79099,CO-ADD:0286547,-10.52,C(=N/c(cc1)ccc1Cl)(/SC=C2c3ccc(cc3)CC(C)C)\N2CCCO.Br,0.0
79100,CO-ADD:0286507,-10.53,c(c1c([nH]2)cccc1)(C3)c2CCN3C(CCC)=O,0.0
79101,CO-ADD:0291796,-10.53,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc4c5ccc(cc5Br)[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
79102,CO-ADD:0299611,-10.53,C(C(C)=O)(C1c2ccccc2F)=C(O)C(N1CCN(CC3)CCO3)=O,0.0
79103,CO-ADD:0299724,-10.53,N(CC1)(CCN1C(c2ccccc2)c3ccc(cc3)Cl)C(c4ccccc4)c5ccc(cc5)Cl,0.0
79104,CO-ADD:0299804,-10.53,N1(c2ccc(cc2)C)C(=O)\C(=C\C=C\c3ccco3)\C(NC1=O)=O,0.0
79105,CO-ADD:0285339,-10.53,c12c(n(c(SCC(=O)Nc3c(CC)cccc3C)n1)C)C(N(C)C(=O)N2C)=O,0.0
79106,CO-ADD:0285744,-10.54,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(Nc4ccccc4)C(N2c5ccccc5)=O,0.0
79107,CO-ADD:0290878,-10.54,n1(C)c(SCC(=O)c2ccc(c3c2)CCCC3)nnc1c4ccccc4,0.0
79108,CO-ADD:0292678,-10.54,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc4ccccc4SC)n2,0.0
79109,CO-ADD:0294523,-10.54,c12c(c3c(OC1=O)cccc3)c4c(nc2NC(C)=O)CCCC4,0.0
79110,CO-ADD:0295988,-10.55,c12n(cc(c3ccc(cc3)Br)n1)nc(CC)s2,0.0
79111,CO-ADD:0293847,-10.55,[N+](=O)([O-])Nc1ccc(cn1)Br,0.0
79112,CO-ADD:0293839,-10.55,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(ccc5c6c(cccc7)c7n5CC)c6)cccc4,0.0
79113,CO-ADD:0293827,-10.55,N1(c(ccc(c2s3)nc3SCC(=O)Nc4c(CC)cccc4CC)c2)C(=O)C5C(C6CC5C=C6)C1=O,0.0
79114,CO-ADD:0295283,-10.55,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3,0.0
79115,CO-ADD:0295413,-10.55,c1(C2c3c(cccc3F)Cl)c([nH]nc1c(cccc4[N+](=O)[O-])c4)OC(N)=C2C#N,0.0
79116,CO-ADD:0294506,-10.56,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2CCOC)=O,0.0
79117,CO-ADD:0295831,-10.56,c1(cc(cc2)NC(CSc3[nH]c(c4n3)ccc(OC)c4)=O)c2C(=O)c5c(cccc5)C1=O,0.0
79118,CO-ADD:0292588,-10.56,[N+](=O)([O-])c(cc1)c(C)cc1C(=O)N(CC2)CCO2,0.0
79119,CO-ADD:0293034,-10.56,c1(Sc2ccc(cc2[N+](=O)[O-])n3cnnn3)nnnn1c4ccccc4,0.0
79120,CO-ADD:0292344,-10.56,N1(CN2CCC(CC2)Cc3ccccc3)c(cccc4)c4\C(=N\c(ccc(c5Br)C)c5)\C1=O,0.0
79121,CO-ADD:0293075,-10.56,C12(Sc(c3N1)cccc3)N(c4ccccc4)N=C(c5ccccc5)S2,0.0
79122,CO-ADD:0295194,-10.56,c1(nc(c2ccccc2)c(n3)c4ccccc4)n3cc(c5ccc(cc5)Br)n1,0.0
79123,CO-ADD:0292598,-10.56,C(/S\C(\N1CC=C)=C(/SC(N2CCCC)=S)\C2=O)(\C1=O)=C(/Sc(c34)ccc(OC)c3)\N4CC,0.0
79124,CO-ADD:0295282,-10.57,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N3CCCCC3,0.0
79125,CO-ADD:0294988,-10.57,n1(C)c(SCC(O)=O)nnc1c2ccc(cc2)OC,0.0
79126,CO-ADD:0288606,-10.57,C(=O)(OC(C)(C)C)N(CCCC1n2c(C)cnc2c3cnccc3)C1,0.0
79127,CO-ADD:0288707,-10.57,C(N)Cn(c(cn1)C)c1C2CC2.Cl.Cl,0.0
79128,CO-ADD:0289027,-10.57,c(C(=O)N(CCCC1C(O)=O)C1)(nnc2C(=O)Nc(cc3)ccc3F)s2,0.0
79129,CO-ADD:0288525,-10.58,c1(CC(CC2)CCN2)ncc(C)n1CCOC.Cl.Cl,0.0
79130,CO-ADD:0287737,-10.58,c1(nn(cn1)CC(=O)Nc2nncs2)[N+](=O)[O-],0.0
79131,CO-ADD:0299872,-10.58,S1(=O)(=O)c(cccc2)c2C(NCCN3C(=O)c4c(cccc4)C3=O)=N1,0.0
79132,CO-ADD:0257876,-10.59,[N+](=O)([O-])c1ccc(cc1C)C(=O)Nc2cccc(OCCCC)c2,0.0
79133,CO-ADD:0258960,-10.59,C(=C\c1ccc(cc1OCC)OCC)(/C2=O)\C(=O)NC(=S)N2,0.0
79134,CO-ADD:0260092,-10.59,C1(C(OCCCl)=O)=C(C)NC(NC1c2cccc(OCC)c2)=O,0.0
79135,CO-ADD:0279024,-10.59,N1(C)C(=O)\C(\SC1=S)=C\c2cccc(OC)c2OC,0.0
79136,CO-ADD:0277777,-10.59,C1(C(OCC)=O)=C(C)NC(=O)CC1c2ccc(c(Cl)c2)Cl,0.0
79137,CO-ADD:0288594,-10.59,C(N(CCC(CCn1c(C)cnc1c(ccc2)cc2)C3)C3)(=O)OC(C)(C)C,0.0
79138,CO-ADD:0288810,-10.59,c1(C(NCC#C)=O)ccc(Br)cc1,0.0
79139,CO-ADD:0288962,-10.59,C1(=NCC2)N2c3c(Oc(cccc4)c14)cc(cc3)C#N,0.0
79140,CO-ADD:0291770,-10.6,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(c4c([nH]5)cccc4)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
79141,CO-ADD:0291755,-10.6,C(=O)(Nc1ccc(c(OC)c1)OC)C(NCCc2ccccc2)=O,0.0
79142,CO-ADD:0292019,-10.6,S(=O)(=O)(c1ccc(cc1)CC)Oc2cccc(cccn3)c23,0.0
79143,CO-ADD:0292027,-10.6,s1c(C(C)(C)C)nnc1NC(CC)=O,0.0
79144,CO-ADD:0289212,-10.6,N(Cc(cc1)ccc1C)(Cc(ccc(c2C3)OCCN3)c2)C(C)=O.Cl,0.0
79145,CO-ADD:0287526,-10.6,c1(c(cccc1NC(=O)c2cccs2)ns3)n3,0.0
79146,CO-ADD:0287534,-10.61,c1(cc(Cl)cc(Cl)c1O)C2SCc3c(cc(c(C)c3)C)CS2,0.0
79147,CO-ADD:0287566,-10.61,n(c1c(n2)cccc1)(Cc(c(C)c3)cc(c3Cn(c4c(n5)cccc4)c5)C)c2,0.0
79148,CO-ADD:0287823,-10.61,c1(C#N)c(c2ccccc2)cc(nc1SCCN3CCCCC3)c4ccccc4,0.0
79149,CO-ADD:0287551,-10.61,N1(c2ccccc2)C(=O)C(CC1=O)S\C(\NCCc(ccc(c3OC)OC)c3)=N/c(cccc4C(F)(F)F)c4,0.0
79150,CO-ADD:0290953,-10.62,C1(=Cc(cccc2CC=C)c2OC1=O)C(=O)Nc3cccc(C)c3C,0.0
79151,CO-ADD:0291091,-10.62,c1(cc(ccc1N(CC2)CCC2C(N)=O)C(F)(F)F)[N+](=O)[O-],0.0
79152,CO-ADD:0299889,-10.62,c1(N(CC2)CCO2)nsnc1OCC(OCC)=O,0.0
79153,CO-ADD:0290336,-10.62,C(OC)(=O)c1cccc(c1)NC(CSCc2ccccc2)=O,0.0
79154,CO-ADD:0291061,-10.62,S(=O)(=O)(c1c(OCC)ccc(OCC)c1)n2ccnc2C,0.0
79155,CO-ADD:0291077,-10.62,N1(CN(Cc2ccccc2OC)CN3C(=O)c(c4C3=O)cccc4)C(=O)c(c5C1=O)cccc5,0.0
79156,CO-ADD:0287727,-10.62,S(=O)(=O)(N(CC1)CCN1c2ccccn2)c3ccccc3[N+](=O)[O-],0.0
79157,CO-ADD:0287315,-10.62,c1(ccc(c2ccc(cc2)Cl)o1)C(=S)N(CC3)CCN3c4ccccc4,0.0
79158,CO-ADD:0286400,-10.62,c1(C#N)c(C)cc(nc1SCC#C)C,0.0
79159,CO-ADD:0286667,-10.62,S(=O)(=O)(c1ccc(cc1)OC)N(Cc2ccccc2)CC(=O)Nc(cc3)ccc3OCC,0.0
79160,CO-ADD:0286707,-10.62,n1(c(cc2)ccc2C(O)=O)nnnc1SCc3ccccc3,0.0
79161,CO-ADD:0293785,-10.62,n1c(SCC(=O)Nc(cc2)ccc2C)c3c(c(C)n1)cccc3,0.0
79162,CO-ADD:0295719,-10.63,c1(NC(=S)NC(=O)c2ccc(cc2Cl)Cl)sc(c3c1C(N)=O)CCCC3,0.0
79163,CO-ADD:0293036,-10.63,C(Oc1ccccc1)(C(F)(F)F)(C(F)(F)F)NC(=O)Nc2sc(c3c2C(N)=O)CCCC3,0.0
79164,CO-ADD:0293016,-10.63,c(c(N)c1N)c(OCCO2)c2c1,0.0
79165,CO-ADD:0293010,-10.63,C(=O)(N(CC1)CCO1)Oc2c(Cl)cc(cc2C=O)Cl,0.0
79166,CO-ADD:0292522,-10.64,N(Cc1ccccc1)(c2c3cccc2)C(=O)C(C)CN3C(CC)=O,0.0
79167,CO-ADD:0296047,-10.64,c12c(n(c(N(CC3)CCO3)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
79168,CO-ADD:0293821,-10.64,n1c(SCC(=O)Nc(cc2)ccc2C(OC)=O)c3c(c(C)n1)cccc3,0.0
79169,CO-ADD:0294745,-10.64,N1(Cc2ccccc2)C(=O)c3c(N=C1\C=C(/c(cccc4)c4N5C)\C5=O)cccc3,0.0
79170,CO-ADD:0292492,-10.64,N(CN1CCCCC1)(c(cccc2)c2C34OCCCO3)C4=O,0.0
79171,CO-ADD:0293265,-10.64,N(\C(=C\c(cc1OC)cc(c1)OC)\C(O2)=O)=C2c3cccc(F)c3,0.0
79172,CO-ADD:0292291,-10.65,C1(=O)c2c(cccc2)Sc3c1c(C)ccc3C,0.0
79173,CO-ADD:0293658,-10.65,P(CCCCCCCC)(CCCCCCCC)(O)=O,0.0
79174,CO-ADD:0294952,-10.65,n1(c2ccc(cc2)OC)nc(c3n1)ccc(NC(=O)c4ccc(c(OC)c4)OC)c3,0.0
79175,CO-ADD:0293007,-10.65,C1(SC(C(=O)N1c2ccc(c(Cl)c2)C)C)(c3c(N4CN(CC5)CCN5C(c6ccccc6)c7ccccc7)cccc3)C4=O,0.0
79176,CO-ADD:0296169,-10.65,N(C(=O)C(S1)Cc(cc2)ccc2C)=C1N(CC3)CCN3c4ccccc4,0.0
79177,CO-ADD:0292949,-10.65,C1(=S)N(Cc2ccccc2)c(c3N1[C@H]4CC(=O)[C@H](O5)O[C@@H]4C5)cccc3,0.0
79178,CO-ADD:0294504,-10.65,C(C(c1ccccc1)=O)(C2c3ccc(c4c3)OCO4)=C(O)C(N2CCOC)=O,0.0
79179,CO-ADD:0287777,-10.66,S(c1ccccc1)(=O)(=O)NC(C(Cl)(Cl)Cl)c2c3c([nH]c2C)cccc3,0.0
79180,CO-ADD:0291346,-10.66,n1(c(cc2)ccc2C(OC)=O)nnnc1SCC(=O)Nc(ccc(c3C)C)c3,0.0
79181,CO-ADD:0291370,-10.67,c1(C#N)c(cc(nc1N)C)c(cc2)ccc2C(C)C,0.0
79182,CO-ADD:0291394,-10.67,N1(c(cc2)ccc2C(OCC)=O)C(=O)CC(N3CCC(CC3)O)C1=O,0.0
79183,CO-ADD:0290858,-10.67,C(C(OCC)=O)(C(=O)\C(\N1)=C/c2ccccc2)=C1C,0.0
79184,CO-ADD:0286214,-10.67,C(/S\C(\C1=O)=C/c(ccc2c3ccc(cc3)F)o2)(=N\C(C)=O)\N1,0.0
79185,CO-ADD:0259641,-10.67,n1(C)c(SCc(c2)oc(c2C(O)=O)C)nnc1c3ccccc3,0.0
79186,CO-ADD:0259942,-10.67,C(=N\c(cc1)ccc1OC)(/SC(C2=O)CC(=O)Nc(cc3)ccc3C(O)=O)\N2C,0.0
79187,CO-ADD:0278081,-10.67,C1(=C(N)C(NC(=O)N1)=O)S(O)(=O)=O,0.0
79188,CO-ADD:0259642,-10.67,C(/C#N)(=C/c1cccc(cccc2)c12)\C(=O)Nc3ccccc3,0.0
79189,CO-ADD:0259715,-10.67,N12C(S\C(=C/c(ccc(c3OC)OCc4ccccc4Cl)c3)\C1=O)=NC(C)=C(C(OCC)=O)C2c5c(OC)ccc(cccc6)c56,0.0
79190,CO-ADD:0259709,-10.68,N12C(S\C(=C\c3cc(Cl)cc(Cl)c3O)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)ccc4OC,0.0
79191,CO-ADD:0288739,-10.68,c1(cnc(n1CC23CC(CC(C2)C4)CC4C3)c(cnc5)cc5)C,0.0
79192,CO-ADD:0288519,-10.68,n1(Cc(ccc2F)cc2)c(C)cnc1CC(CC3)CCN3.Cl.Cl,0.0
79193,CO-ADD:0291137,-10.68,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)F)=C(O)C(N2CCc4ccccc4)=O,0.0
79194,CO-ADD:0291977,-10.68,n1c2c(oc1c3ccc(cc3)CC)ccc(c2)NC(=O)c4ccc(c(C)c4)C,0.0
79195,CO-ADD:0289220,-10.68,S(C)(=O)(=O)NC(CCN1)(CC1)CCOC.Cl,0.0
79196,CO-ADD:0288479,-10.68,c1(C2CC2)ncc(C)n1CC(CCN3)CC3.Cl.Cl,0.0
79197,CO-ADD:0288552,-10.68,n(CC(C1)CN1)(c(C)cn2)c2COC.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
79198,CO-ADD:0288833,-10.69,c1cc(ccc1)CC(=O)NCC#C,0.0
79199,CO-ADD:0289205,-10.69,C(=O)(NC(CC1)(CCN1)CCOC)C2CC2.Cl,0.0
79200,CO-ADD:0288844,-10.69,C(C1)(C(NCC#C)=O)N(C(=O)OC(C)(C)C)CC1,0.0
79201,CO-ADD:0290818,-10.69,c1(C2c3cccc(OC)c3OC)c(n[nH]c1C(C)(C)C)OC(N)=C2C#N,0.0
79202,CO-ADD:0299259,-10.7,C(C(F)(F)F)(C(F)(F)F)(NC(C(C)C)=O)Nc1sc(c2c1C#N)CCCC2,0.0
79203,CO-ADD:0299291,-10.7,C(=C\c1ccccc1)(/Nc2c(S3)cccc2)\C3=O,0.0
79204,CO-ADD:0291256,-10.7,N1(Cc2ccco2)C(=O)\C(\SC1=S)=C/c3ccccc3O,0.0
79205,CO-ADD:0290920,-10.7,N1(CN(CC2)CCC2c3ccccc3)N=C(N(C)C1=S)COc(ccc(c4C)C)c4,0.0
79206,CO-ADD:0291101,-10.7,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C/c(cc5)ccc5O)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
79207,CO-ADD:0300018,-10.7,c1(n(CCCC#N)c2c(cccc2)n1)c3nonc3NC(C)=O,0.0
79208,CO-ADD:0299170,-10.7,N1(C)c2c(cccc2)Oc(nnc(N(CC3)CCN3Cc4ccccc4)c5)c15,0.0
79209,CO-ADD:0285451,-10.7,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4Cc5n(c6ccccc6)c7c(cc(c(Br)c7)OC)c5C(OCC)=O,0.0
79210,CO-ADD:0290593,-10.71,c(C(NN)=O)(cc1c(n2)ccc(OC)c1)c2C,0.0
79211,CO-ADD:0291049,-10.71,S(=O)(=O)(n(ccn1)c1)c2cc(C)c(cc2Cl)Cl,0.0
79212,CO-ADD:0286998,-10.71,N(c1c(cccn1)C)C(=O)Nc(cc2)ccc2F,0.0
79213,CO-ADD:0299605,-10.71,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c5sccc5C,0.0
79214,CO-ADD:0288570,-10.71,C1CN(CC1c2ncc(C)n2CCC)C(OC(C)(C)C)=O,0.0
79215,CO-ADD:0290466,-10.71,n1c(C(O)=O)cc(C23CC4CC(CC(C4)C2)C3)n1c5ccccc5,0.0
79216,CO-ADD:0290727,-10.71,S(=O)(=O)(Oc1cccc(ccc(C)n2)c12)c3ccc(c(Cl)c3Cl)Cl,0.0
79217,CO-ADD:0286803,-10.71,s1c(c(ccc(c23)OCO2)c3)nnc1NC(C4CCCCC4)=O,0.0
79218,CO-ADD:0293574,-10.71,c1(O2)c(c(n[nH]1)CCC)C(C(C(OCC)=O)=C2N)c3cccc(I)c3,0.0
79219,CO-ADD:0294636,-10.71,N1(C2c3ccccc3)C(S\C(=C/c4cccs4)\C1=O)=NC(C)=C2C(OC)=O,0.0
79220,CO-ADD:0294348,-10.71,C1(C#N)=C(N)OC(=C2C1c(cc3OC)cc(c3OC(=O)N(CC4)CCO4)OC)CCCC2=O,0.0
79221,CO-ADD:0293699,-10.72,N1(c2ccc(cc2)F)C(=O)C(C3C1=O)C4C(C(C3C=C4)C(N5c6ccc(cc6)F)=O)C5=O,0.0
79222,CO-ADD:0295639,-10.72,n(c1ccc(c(C)c1)C)(c2C)c(C)cc2\C=C(/SC(N3)=O)\C3=O,0.0
79223,CO-ADD:0294477,-10.72,c1(nc(N)nc(N)n1)c2nonc2N,0.0
79224,CO-ADD:0293878,-10.72,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(=O)Nc2cc(ccc2N3CCCCC3)C(F)(F)F,0.0
79225,CO-ADD:0292968,-10.72,C(C(c1ccccc1)=O)(C2c3ccc(cc3)Cl)=C(O)C(N2CC(c4ccccc4)CC(O)=O)=O,0.0
79226,CO-ADD:0294616,-10.72,n1c2c(oc1c3ccc(c(Cl)c3)Cl)ccc(c2)NC(=O)c4ccc(c5ccc(cc5)Cl)o4,0.0
79227,CO-ADD:0293944,-10.72,C1(C(=O)C(C)(O)CC(C(=O)OC(C)C)C1c(cc2)ccc2[N+](=O)[O-])C(=O)OC(C)C,0.0
79228,CO-ADD:0295896,-10.72,c1(ccc(Br)o1)C(=O)N(CC2)CCN2c3ccccc3,0.0
79229,CO-ADD:0295221,-10.73,c1(SCc(cc2)ccc2OC)oc(c3n1)cccc3,0.0
79230,CO-ADD:0293483,-10.73,c1(c2c(sc1NC(C)=O)CCC2)C(=O)Nc(cc3)ccc3OCC,0.0
79231,CO-ADD:0293956,-10.73,c1(OC(=O)C=C2C)c2ccc(OCC3=O)c13,0.0
79232,CO-ADD:0294494,-10.73,C(C(c1ccccc1)=O)(C2c3ccccc3OC)=C(O)C(N2Cc(cccn4)c4)=O,0.0
79233,CO-ADD:0292286,-10.73,c1(NC(=S)Nc2ccccc2)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
79234,CO-ADD:0294600,-10.73,n1c(cc(C)cc2C)c2oc1c3ccc(cc3)NC(=O)c4ccc(c5ccc(cc5)Cl)o4,0.0
79235,CO-ADD:0291171,-10.74,C(C(C)=O)(C1c2ccccc2F)=C(O)C(N1c3ccc(cc3)F)=O,0.0
79236,CO-ADD:0290803,-10.74,c1(OC(N)=C(C2c(cc3OC)cc(c3OC(C)=O)OC)C#N)c2c(n[nH]1)C,0.0
79237,CO-ADD:0285765,-10.74,C1(=Cc2c(OC1=O)cccc2)c3csc(\C(\C#N)=C/c4ccc(C)o4)n3,0.0
79238,CO-ADD:0285509,-10.74,N1(c(ccc(c2s3)nc3SCC(=O)c4ccc(cc4)F)c2)C(=O)c5c(c6C1=O)c(ccc5)ccc6,0.0
79239,CO-ADD:0285342,-10.74,n1c(c2ccc(cc2)C)cc(\N=C\c(cc3)ccc3N(CC)CC)n1c4ccccc4,0.0
79240,CO-ADD:0291026,-10.74,S(=O)(=O)(N(CC1)CCN1c2ccccc2OC)c3c(OC)ccc(OC)c3,0.0
79241,CO-ADD:0259069,-10.74,c(c1c2ccccc2)(C3c4ccccc4OC)c([nH]n1)OC(N)=C3C#N,0.0
79242,CO-ADD:0257415,-10.74,c1(c(F)c(F)c(c(F)c1F)OC)C(=O)C2C(=O)C=C(OC2=O)c3c(F)c(F)c(c(F)c3F)OC.O,0.0
79243,CO-ADD:0259431,-10.74,N1(CCN(C(C)=O)C1c(cc2)ccc2N(CC)CC)S(=O)(=O)c3ccc(cc3)C,0.0
79244,CO-ADD:0258031,-10.74,C(N)(=O)SCC(=O)Nc1ccccc1C,0.0
79245,CO-ADD:0259844,-10.75,N1(c2cccc(c2)C(=O)Nc3ccccc3C(O)=O)C(=O)c(c4C1=O)cccc4[N+](=O)[O-],0.0
79246,CO-ADD:0259695,-10.75,S(NCCSc1ccccn1)(=O)(=O)c2ccc(cc2)NC(C)=O,0.0
79247,CO-ADD:0290912,-10.75,N1(Cc(cc2)ccc2C)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
79248,CO-ADD:0290801,-10.75,C1(C#N)(C#N)C(c2ccc(cc2)Cl)C3C(C(C#N)=C1NC(=O)Nc(cc4)ccc4Cl)=CCC(C(C)(C)C)C3,0.0
79249,CO-ADD:0291132,-10.75,C1(C(=O)OC2CCCC2)=C(C)NC(=C3C1c4ccc(c(O)c4)OC)CCCC3=O,0.0
79250,CO-ADD:0288860,-10.75,c1(ccccc1)CNC(=O)NCC#C,0.0
79251,CO-ADD:0289232,-10.76,n1c(CC(CCOC2(CCN3)CC3)C2)onc1c(cccn4)c4.Cl,0.0
79252,CO-ADD:0288445,-10.76,c1(C(CCCN2)C2)n(CCOC)c(cn1)C.Cl.Cl,0.0
79253,CO-ADD:0289325,-10.76,c1(C(=O)NCc2cccc(C)c2)nn(c(CCN3)c1C3)C.Cl,0.0
79254,CO-ADD:0288447,-10.77,c1(C(CCN2)CC2)n(CCOC)c(cn1)C.Cl.Cl,0.0
79255,CO-ADD:0299818,-10.77,C(=C/c1cccs1)(/C(=O)N2C)\C(=O)N(C2=S)C,0.0
79256,CO-ADD:0299286,-10.77,c1(cc(c(C)o1)C)C(=O)Nc(ccc(c2C(O)=O)O)c2,0.0
79257,CO-ADD:0299502,-10.78,[N+](=O)([O-])c1ccc(cc1)\C=N\Nc(cc2)ccc2Br,0.0
79258,CO-ADD:0299329,-10.78,c(c1c2ccccc2)(C3c4ccc(c(OCC)c4)OC)c([nH]n1)OC(N)=C3C#N,0.0
79259,CO-ADD:0285155,-10.78,c1(C(=O)C2CC2)oc(c3c1NC(C)=O)ccc(Br)c3,0.0
79260,CO-ADD:0290595,-10.78,N1(CSc(nnc(c23)c(c4n2C)cc(cc4)Br)n3)C(=O)c5c(cccc5)C1=O,0.0
79261,CO-ADD:0290613,-10.78,c1(C(OCC)=O)c2c(oc1CN(CC3)CCN3Cc4oc(c5c4C(OCC)=O)ccc(OC)c5)ccc(OC)c2,0.0
79262,CO-ADD:0299696,-10.78,c1(NC(c2ccccc2)CC3c4cccs4)n3ncn1,0.0
79263,CO-ADD:0299698,-10.78,c1(c2ccccc2)c(C)n[nH]c1N,0.0
79264,CO-ADD:0299155,-10.78,c1(SCC(=O)Nc2ccccc2SC)ncccn1,0.0
79265,CO-ADD:0299171,-10.78,s1c(N)nnc1SCC(=O)Nc2c(Br)cc(cn2)Br,0.0
79266,CO-ADD:0286781,-10.79,N1(C(C2CCCC2)=O)c3c([C@]([H])(CN(C)CC4)[C@]14[H])cc(C)cc3.Cl,0.0
79267,CO-ADD:0285335,-10.79,n1(c2ccccc2)c(c3ccccc3)nnc1SC(C)C(O)=O,0.0
79268,CO-ADD:0299927,-10.79,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(ccc(c3C)C)c3)C2c4cccs4,0.0
79269,CO-ADD:0291772,-10.79,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(c4c([nH]5)cccc4)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
79270,CO-ADD:0291725,-10.79,C12(O)C(O)(c3c(cccc3)C1=O)N(C(=S)N2CC)CC,0.0
79271,CO-ADD:0291731,-10.79,c12c(n(c(SCC)n1)C\C=C\C)C(NC(=O)N2C)=O,0.0
79272,CO-ADD:0295617,-10.79,c1(cnn(C)c1C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)[N+](=O)[O-],0.0
79273,CO-ADD:0292957,-10.79,C(C(=O)c(cc1)ccc1[N+](=O)[O-])(C2c(cc3)ccc3[N+](=O)[O-])=C(O)C(N2CCCO)=O,0.0
79274,CO-ADD:0292942,-10.79,n1cc(Cl)cc(Cl)c1Cl,0.0
79275,CO-ADD:0293457,-10.79,c1(non2)c2nc(Nc(ccc(c3C)C)c3)c(NC4CCCCC4)n1,0.0
79276,CO-ADD:0293398,-10.79,C(=N)(N1CCc(c2C1)cccc2)Nc3nc(C)cc(C)n3,0.0
79277,CO-ADD:0295057,-10.8,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(ccc(c4OCC)O)c4)\C1=O,0.0
79278,CO-ADD:0294592,-10.8,C1(c2ccccc2OC)Nc(ccc(c3)Br)c3C(c4ccccc4)N1CC(OCC)=O,0.0
79279,CO-ADD:0295865,-10.8,c1(OC(N)=C(C2c3ccc(c(OCC)c3)OC)C#N)c2c(n[nH]1)CCC,0.0
79280,CO-ADD:0295824,-10.8,c(n(Cc1ccccc1)nc2[N+](=O)[O-])(C(=O)N3c4c(CC3C)cccc4)c2,0.0
79281,CO-ADD:0295401,-10.81,n1(c(C(C)(C)C)c(nn1)C(NN)=O)c2nonc2N,0.0
79282,CO-ADD:0295917,-10.81,c1(OC(N)=C(C2c3c(OC)cc(cc3OC)OC)C#N)c2c(n[nH]1)C,0.0
79283,CO-ADD:0295711,-10.81,c1(NC(CSc2nc(C)cc(n2)C(F)(F)F)=O)sc(c3c1C(OCC)=O)CCC3,0.0
79284,CO-ADD:0294347,-10.81,C12(c3c(NC1=O)cccc3)C(C#N)=C(N)Oc4c2c(CC)n[nH]4,0.0
79285,CO-ADD:0293540,-10.81,n(Cc1ccccc1)(c(ccc(c2)NCc3ccccc3O)c2n4)c4C,0.0
79286,CO-ADD:0292391,-10.81,n1(c2c(n3)cccc2)c3S\C(=C/c(c(cccc4)c4n5Cc6c(cccc6Cl)F)c5)\C1=O,0.0
79287,CO-ADD:0293474,-10.82,[N+](=O)([O-])c(cc1)ccc1C(=O)Nc(ccc(c23)OCO2)c3,0.0
79288,CO-ADD:0285800,-10.82,C(=C/c(cc1)ccc1N(C)C)(/C2=O)\C(C(=O)Nc3ccccc3)=NN2c4ccccc4,0.0
79289,CO-ADD:0285064,-10.82,C(C(c1ccccc1)=O)(C(c2ccccc2)=O)C(c3ccccc3)NC(OCCc4ccccc4)=O,0.0
79290,CO-ADD:0290941,-10.82,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C/c(cccn5)c5)\C1=O)=NC(c6ccccc6)=C2C(OCC)=O,0.0
79291,CO-ADD:0290806,-10.82,c(c1c2ccccc2)(C3c4cc(OC)c(cc4OC)OC)c([nH]n1)OC(N)=C3C#N,0.0
79292,CO-ADD:0290862,-10.82,C(C1Cl)(c(cccc2OC)c23)C(CC1Sc4ccccc4[N+](=O)[O-])C(N3)c(cc5)ccc5[N+](=O)[O-],0.0
79293,CO-ADD:0285078,-10.82,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)Br)=C(O)C(N2c4cccc(C)c4)=O,0.0
79294,CO-ADD:0258451,-10.83,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(cc3)ccc3[N+](=O)[O-])c4sc(c5c4C(OCC)=O)CCCCC5,0.0
79295,CO-ADD:0258375,-10.83,[N+](=O)([O-])c1cc(ccc1Sc2nnc(C)s2)\C=N\c(ccc(c3s4)nc4SCC(NCCc(ccc(c5OC)OC)c5)=O)c3,0.0
79296,CO-ADD:0259909,-10.83,C(C(C)=O)(C1c(cc2)ccc2[N+](=O)[O-])=C(O)C(N1c(cc3)ccc3S(=O)(=O)Nc4sccn4)=O,0.0
79297,CO-ADD:0257424,-10.83,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)OC)CC(=O)Nc(cc3)ccc3OC,0.0
79298,CO-ADD:0279043,-10.83,C(/S\C(\N1Cc2ccccc2)=N/c3cc(ccc3NCC)C#N)(\C1=O)=C(/Sc(c45)ccc(Cl)c4)\N5C,0.0
79299,CO-ADD:0259862,-10.83,C(=C/Nc(cc1)ccc1F)(/C2=O)\C(C(F)(F)F)=NN2c3ccccc3,0.0
79300,CO-ADD:0289375,-10.83,C(O)(=O)C1(CCCN1)C.Cl,0.0
79301,CO-ADD:0288895,-10.84,c(c1ccncc1)(n(CCC)c(c2[N+](=O)[O-])C)n2,0.0
79302,CO-ADD:0289201,-10.84,C(CC(CCN1)CC1)(=O)NCc2ccccc2.Cl,0.0
79303,CO-ADD:0288888,-10.84,c1(nc([N+](=O)[O-])c(n1CCNS(c2ccccc2F)(=O)=O)C)C,0.0
79304,CO-ADD:0285432,-10.84,C12(c3ccccc3)C(C1)C(c4c(cccc4)O2)c5ccccc5,0.0
79305,CO-ADD:0285496,-10.84,C(C(C)=O)(C1c2ccccc2OC)=C(O)C(N1c3ccc(cc3)O)=O,0.0
79306,CO-ADD:0287878,-10.84,C12(SCC(=O)N1c(cc3)ccc3C(OCC)=O)c4c(NC2=O)cccc4,0.0
79307,CO-ADD:0287423,-10.84,C(C#N)(C1c2ccc(Br)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
79308,CO-ADD:0287848,-10.84,c1(OC(N)=C(C2c3ccc(c(OCC)c3)O)C#N)c2c(n[nH]1)COC,0.0
79309,CO-ADD:0287184,-10.85,c(c(COC)[nH]n1)(C2c3c(cccc3Cl)F)c1OC(N)=C2C#N,0.0
79310,CO-ADD:0287480,-10.85,C(/N)(\c1ccccn1)=N/OC(=O)c2cccc(cccc3)c23,0.0
79311,CO-ADD:0287859,-10.85,c12c(cc(C)c(C)c1Br)[nH]c(S)n2,0.0
79312,CO-ADD:0299627,-10.85,N1(c(cc2)ccc2C(=O)Nc(cccc3C(O)=O)c3)C(=O)c4c(cccc4)C1=O,0.0
79313,CO-ADD:0290592,-10.85,C1(C2=O)C(CC(C(C(OCC)=O)C1c(cccc3[N+](=O)[O-])c3)(C)O)=NN2,0.0
79314,CO-ADD:0287642,-10.85,P(O)(=O)(CN1CCCCCC1)CCN2CCCC2=O,0.0
79315,CO-ADD:0287963,-10.85,c1(cn(c(C)n1)Cc2nnc(N)s2)[N+](=O)[O-],0.0
79316,CO-ADD:0291603,-10.85,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3nc(C(=O)Nc(cc(Oc(cccc4C(F)(F)F)c4)cc5[N+](=O)[O-])c5)c1Cl,0.0
79317,CO-ADD:0287383,-10.85,[N+](=O)([O-])c(cc1)ccc1N(CC2)CCN2C(=O)c(cc3)ccc3C#CC(C)(C)O,0.0
79318,CO-ADD:0291619,-10.85,c12c(C(NC(=O)N1C)=O)n(c(N(C)C)n2)CC(O)COc3ccc(cc3Cl)Cl,0.0
79319,CO-ADD:0291139,-10.86,n(c1c(n2)cccc1)(c3N)c2c(c(c(cc4)cc(c4OC(=O)N(C)C)OC)c3C#N)C#N,0.0
79320,CO-ADD:0287003,-10.86,N(c1c(cccn1)C)C(=O)Nc2ccccc2Cl,0.0
79321,CO-ADD:0287011,-10.86,c1(c(C)c(Cl)c(nc1Cl)C)C(=O)NC(=O)Nc(cc2)ccc2Cl,0.0
79322,CO-ADD:0286556,-10.86,C1(NC(CSc2sc3c(ccc(c3)NC(CC)=O)n2)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
79323,CO-ADD:0286620,-10.86,C1(C(=O)NNC(=O)C(C)Oc(ccc(c23)cccc2)c3)=Cc4c(OC1=O)ccc(Br)c4,0.0
79324,CO-ADD:0294646,-10.86,C(/C(C)=NN1c2cccc(Cl)c2)(=C/c3sccc3C)\C1=O,0.0
79325,CO-ADD:0293714,-10.86,c(C1c2ccccc2Cl)(c3N)c(NC(C)=C1C(=O)Nc4ccccc4C)sc3C(=O)c5ccc(cc5)C,0.0
79326,CO-ADD:0294706,-10.86,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c(cc5OC)cc(c5O)OC,0.0
79327,CO-ADD:0293620,-10.87,C1(C#N)=C(SC)NC(CCC2)=C2C13CCCCC3,0.0
79328,CO-ADD:0294593,-10.87,S(=O)(=O)(c1ccc(cc1)Cl)NC(C)(C)CN(CC2)CCN2C(c3ccccc3)c4ccccc4,0.0
79329,CO-ADD:0294578,-10.87,c1(c2c(sc1N)CCC2)C(=O)Nc(cc3)ccc3C,0.0
79330,CO-ADD:0295901,-10.87,c1(OC(N)=C(C2c(cc3OC)cc(c3OC(C)=O)OC)C#N)c2c(n[nH]1)CCC,0.0
79331,CO-ADD:0294580,-10.87,c1(c2c(sc1NC(Cc3ccccc3)=O)CCC2)C(=O)Nc4ccccc4C,0.0
79332,CO-ADD:0292820,-10.87,c1(cc(n2c(cc3)ccc3C(O)=O)c4ccccc4)c2CC(C)(C)CC1=O,0.0
79333,CO-ADD:0296167,-10.87,c1(S(CCCCCCCC)=O)c(N)c(c2s1)c(C)cc(C)n2,0.0
79334,CO-ADD:0295454,-10.87,C12(CC3CC(CC(C3)C1)C2)c4cc(ccc4N(CC)CC)C=O,0.0
79335,CO-ADD:0294757,-10.88,c12c(ncnc1SCC(=O)NCC3CCCO3)[nH]cn2,0.0
79336,CO-ADD:0294660,-10.88,c1(C(OCC)=O)c(cc(cc2)OC(C)=O)c2n(c3ccccc3)c1CN4CCCCC4,0.0
79337,CO-ADD:0293838,-10.88,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(ccs5)c5)cccc4,0.0
79338,CO-ADD:0296099,-10.88,C(=O)(Nc1c(Cl)ccc(Cl)c1)c2cccnc2Oc(cc3)ccc3Cl,0.0
79339,CO-ADD:0294818,-10.88,c1(nc(NCc2ccco2)c(n3)NCc4ccco4)c3non1,0.0
79341,CO-ADD:0293561,-10.88,c1(c2c3ccccc3)c([nH]n2)OC(N)=C(C#N)C1c(ccc4c5ccccc5Cl)o4,0.0
79342,CO-ADD:0320876,-10.88,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c(cccc4C(F)(F)F)c4)c5ccc(cc5)OC,0.0
79343,CO-ADD:0320790,-10.88,C(=C\c1ccc(C)o1)(/C(=O)NC(N2CC)=S)\C2=O,0.0
79344,CO-ADD:0320738,-10.88,N1(c2ccc(c(Cl)c2)C)C(c3ccc(c(OC)c3)OC)C(C1=O)Oc4ccccc4,0.0
79345,CO-ADD:0320794,-10.88,N1(c2cccc(Cl)c2)C(=O)\C(=C\c3cccn3C)\C(NC1=S)=O,0.0
79346,CO-ADD:0323597,-10.89,N1(CCCCCC(=O)NC(c2ccc(cc2)C)CC(OCC)=O)C(=O)c3c(cccc3)C1=O,0.0
79347,CO-ADD:0323165,-10.89,c1(C2OCCO2)c3c(n(c4ccccc4)n1)cc(cc3SCCC(OC)=O)[N+](=O)[O-],0.0
79348,CO-ADD:0323557,-10.89,n(c(N)cc(n1)O)c1SCC(=O)NC2CCCCC2,0.0
79349,CO-ADD:0323031,-10.89,C1(NC(C)C(O)=O)=NC(=CC(=O)N1)F,0.0
79350,CO-ADD:0321301,-10.89,S(c1ccccc1)(=O)(=O)\N=C(/Nc2ccccc2)\Nc3nc(C)cc(C)n3,0.0
79351,CO-ADD:0300425,-10.89,N1(c2cccc(OCC)c2)C(=O)C(CC1=O)NNC(c3ccccc3)=O,0.0
79352,CO-ADD:0305377,-10.89,N1(C(=O)c(c2C1=O)cccc2)C3=NNC(=S)S3,0.0
79353,CO-ADD:0304725,-10.89,n1(c(cc2Cl)cc(c2N)Cl)c(S)nnc1c3ccccc3,0.0
79354,CO-ADD:0305213,-10.89,c1(C(OC)=O)c(cc(O)cc2)c2n(CCOc3c(C)cc(cc3C)C)c1C,0.0
79355,CO-ADD:0300639,-10.9,C1(C(OCCc2ccccc2)=O)=C(C)NC(=C3C1c4ccc(C)o4)CCCC3=O,0.0
79356,CO-ADD:0304592,-10.9,N(\C(=C\c(c(C)cc(c1C(C)C)OC)c1)\C(O2)=O)=C2c3ccccc3,0.0
79357,CO-ADD:0304553,-10.9,N1=C(c2ccccc2)CCN1C(c3ccc(cc3)OC)C#N,0.0
79358,CO-ADD:0304802,-10.9,C(/C#N)(\C(OCC)=O)=C\c1cccn1c2cccc(c2)[N+](=O)[O-],0.0
79359,CO-ADD:0304947,-10.9,N1(c(ccc(c2s3)nc3SCC(=O)Nc(cc4)ccc4F)c2)C(=O)c(c5C1=O)ccc(c5)[N+](=O)[O-],0.0
79360,CO-ADD:0304691,-10.9,S(=O)(=O)(c(cc1)cc(c12)CCN2S(C)(=O)=O)Nc(ccc(c3Cl)F)c3,0.0
79361,CO-ADD:0301178,-10.9,c1(SCC(=O)Nc2ccc(cc2OC)OC)sc(c3n1)cccc3,0.0
79362,CO-ADD:0302852,-10.9,N1(Cc2ccccc2)c(cc3)c(cc3C(F)(F)F)NC(=O)C1=O,0.0
79363,CO-ADD:0303539,-10.9,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(C)s4,0.0
79364,CO-ADD:0303811,-10.91,[N+](=O)([O-])c1cccc(Cl)c1NCCNC(=O)c2cccc(Br)c2,0.0
79365,CO-ADD:0304117,-10.91,[N+](=O)([O-])c1cc(ccc1SCC(O)=O)C=O,0.0
79366,CO-ADD:0302458,-10.91,N1(CC(COc2ccccc2)OC(c3ccc(c(OC)c3)OC)O1)C(c4ccccc4)=O,0.0
79367,CO-ADD:0303187,-10.91,C(C(OCCc1ccccc1)=O)(C(c2ccc(C)s2)N3)=C(C)N(C3=O)C,0.0
79368,CO-ADD:0303956,-10.91,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c(ccs5)c5)cccc4,0.0
79369,CO-ADD:0303139,-10.91,s1c(C)nnc1SCC(=O)Nc2ccc(cc2F)Cl,0.0
79370,CO-ADD:0302395,-10.92,C1(C(=O)N(C)C(N2C)=O)=C2NC(=NC1(C(F)(F)F)C(F)(F)F)CC,0.0
79371,CO-ADD:0303264,-10.92,c1(ccc(cc1N(CC2)CCO2)N3CCCCC3)[N+](=O)[O-],0.0
79372,CO-ADD:0304164,-10.92,N1(c2ccc(cc2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc4cccc(C)c4,0.0
79373,CO-ADD:0307304,-10.92,N1(c2ccccc2OC)C(=S)NN=C1c(c3c4cccc3)cc(n4)c5ccccc5,0.0
79374,CO-ADD:0306059,-10.92,N1C(=O)C(C#N)C(C([n+]2ccccc2)C1=O)c3ccc(cc3)F.[Cl-],0.0
79375,CO-ADD:0305561,-10.93,c1(C(c2ccccc2)OC(=O)c3ccccc3[N+](=O)[O-])nc(c4n1Cc5ccccc5F)cccc4,0.0
79376,CO-ADD:0305643,-10.93,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC)C2c3ccccc3OCC,0.0
79377,CO-ADD:0306728,-10.93,c(c1)(cc(cn1)Br)C(NCCSc2ccccc2)=O,0.0
79378,CO-ADD:0307346,-10.93,C(=S)(Nc(ccc(c1Cl)F)c1)N(Cc(cc2)ccc2N(C)C)Cc3ccco3,0.0
79379,CO-ADD:0305517,-10.93,[N+](=O)([O-])c1ccc(cc1NCc2ccco2)N3CCCCC3,0.0
79380,CO-ADD:0305556,-10.93,[N+](=O)([O-])c1ccc(cc1NCc(cc2)ccc2Cl)N(CC3)CCN3C(=O)c4ccccc4Br,0.0
79381,CO-ADD:0312591,-10.93,C1=C[C@@]2([C@]([C@]3(CN(C2)C(c4ccco4)=O)O[C@H]5C=C3)([C@]56C(OC)=O)C(OC)=O)O[C@H]16,0.0
79382,CO-ADD:0312649,-10.93,C1=C[C@@]2(O[C@@]13[C@@]([C@]24[H])([H])[C@]([C@H](N([C@@H]35)C(=O)C(F)(F)F)C(C([C@H]5C)=O)C)(C(=C6C(OC)=O)C(OC)=O)O[C@@]46C)C,0.0
79383,CO-ADD:0307233,-10.93,S(=O)(=O)(NC(C)(C)C#C)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4Br)c1,0.0
79384,CO-ADD:0320580,-10.93,N1(CCC[C@H]2CO)[C@]2([H])CCCC1,0.0
79385,CO-ADD:0320340,-10.93,C(=O)(N(CC1)CCN1CC)c2ccccc2NC(=O)c3ccc(cc3)F,0.0
79386,CO-ADD:0320148,-10.94,C1(C2c3ccc(cc3)SC)=C(CCCC1=O)Nc(ccc4c5cccn4)c25,0.0
79387,CO-ADD:0320970,-10.94,S(NCCc1scc(c2ccccc2)n1)(=O)(=O)c3ccc(cc3)NC(C)=O,0.0
79388,CO-ADD:0320811,-10.94,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C/c3cc(Cl)cc(COCO4)c34,0.0
79389,CO-ADD:0324695,-10.94,C1(CCN(CC)CC)=C(C)c(ccc(c2)O)c2OC1=O.Cl,0.0
79390,CO-ADD:0324735,-10.94,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4ccccc4Cl)cc(c(C)c3)C,0.0
79391,CO-ADD:0324751,-10.94,N1(C2(CCCCC2)C(=O)Nc(cc3)ccc3C)C(c4ccc(c(OC)c4)OCC)CC1=O,0.0
79392,CO-ADD:0323318,-10.95,C(=C/NCCN(CC1)CCN1CC(=O)Nc(cc2)ccc2c3sc4c(ccc(C)c4)n3)(/C(=O)C5)\C(=O)CC5c6ccco6,0.0
79393,CO-ADD:0323567,-10.95,c1(cc(C)c(cc1N2CCCC2)NC(C)=O)[N+](=O)[O-],0.0
79394,CO-ADD:0324687,-10.95,C1(=O)NC(=S)C2=C(CCC2)N1N(CC3)CCO3,0.0
79395,CO-ADD:0324656,-10.95,C(N)(=O)NCc1ccccn1,0.0
79396,CO-ADD:0324450,-10.95,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4cc(C)ccc4OC,0.0
79397,CO-ADD:0324020,-10.95,C1(C(NCCOC(CC(CC23)CC4C2)(C3)C4)=O)=Cc5c(OC1=O)ccc(Br)c5,0.0
79398,CO-ADD:0311437,-10.95,C1(Nc(cc2)ccc2OC(F)(F)F)=NCC(C)S1,0.0
79399,CO-ADD:0312422,-10.95,c1(C2c(ccc(c3[N+](=O)[O-])Cl)c3)c([nH]nc1c(ccc(c45)OCO4)c5)OC(N)=C2C#N,0.0
79400,CO-ADD:0312370,-10.96,C1(C(OCC)=O)=C(CCC)N(C(=O)NC1c2c(cccc2Cl)F)C,0.0
79401,CO-ADD:0310893,-10.96,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCN2c(cc3)c(Cl)cc3[N+](=O)[O-],0.0
79402,CO-ADD:0306334,-10.96,S(=O)(=O)(c1ccc(cc1)Cl)NCC(c2ccccc2)Nc3ccccc3,0.0
79403,CO-ADD:0306158,-10.96,N1(c(cccc2C(F)(F)F)c2)C(=S)SC(C(OCC)=O)=C1N,0.0
79404,CO-ADD:0304749,-10.96,c1(nc(c2n1CC(=O)NC(C)(C)C)cccc2)c3nonc3N,0.0
79405,CO-ADD:0304901,-10.96,N1(C(C)C(=O)NC2CC2)C(=O)c3c(cccc3)C1=O,0.0
79406,CO-ADD:0301107,-10.96,N1(c2ccc(cc2)OC)C(c3ccccc3OCc4ccccc4Cl)N(N=C1C(C)=O)c5ccccc5,0.0
79408,CO-ADD:0300532,-10.97,S(NCCOc(cc1)ccc1C(C)(C)C)(=O)(=O)c2c(OC)cc(c(OC)c2)Cl,0.0
79409,CO-ADD:0304889,-10.97,N(N)c(cc1)ccc1OC,0.0
79410,CO-ADD:0305349,-10.97,C(/NC(c1ccccc1)=O)(=C\c2ccco2)\C(=O)NC(CC(C)C)C(=O)OCc3ccccc3,0.0
79411,CO-ADD:0304345,-10.97,[N+](=O)([O-])c1ccc(cc1)Oc2ccc(cc2OC)\C=N\Nc(cc3)ncc3C(F)(F)F,0.0
79412,CO-ADD:0302825,-10.97,C1(C(F)(F)F)(C(F)(F)F)NC(=O)N(C2=N1)C=CS2,0.0
79413,CO-ADD:0303513,-10.98,C(C(OC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(C)o4,0.0
79414,CO-ADD:0302708,-10.98,c1(OC(N)=C(C2c3cccc(O)c3)C#N)c2c(n[nH]1)COC,0.0
79415,CO-ADD:0303243,-10.98,c1(c2c(sc1NC(=O)C(C)Oc(cc3)ccc3Cl)CCCCC2)C(=O)Nc4ccccc4OCC,0.0
79416,CO-ADD:0304373,-10.98,n1(c2c(nc1SCC)cccc2)C(=O)Oc3ccccc3,0.0
79417,CO-ADD:0302456,-10.98,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c5ccccc5C,0.0
79418,CO-ADD:0301257,-10.99,N1(c2ccc(cc2)Cl)C(=O)C(N(CC=C)C1=S)CC(=O)Nc(cc3)ccc3OCCC,0.0
79419,CO-ADD:0303612,-10.99,C1(C(=O)N(C)C(N2C)=O)=C2Oc(c3NC1c(cccc4[N+](=O)[O-])c4)cccc3,0.0
79420,CO-ADD:0301622,-10.99,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(c(OC)c5OC)OC)cccc4,0.0
79421,CO-ADD:0312404,-10.99,N1(C(=O)c2ccc(cc2)OC)N3C(=NC1=S)C=CC=C3.Cl,0.0
79422,CO-ADD:0311163,-10.99,c1(NC(=O)C(C)Oc2ccccc2Br)sc(c3c1C(OC)=O)CCCC3,0.0
79423,CO-ADD:0311295,-11.0,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CCCN2S(=O)(=O)c3ccc(c(OC)c3)OC)CC2,0.0
79424,CO-ADD:0307586,-11.0,C(/C#N)(=C/c1ccc(C)o1)\C(=O)Nc2ccc(cc2Cl)Cl,0.0
79425,CO-ADD:0305759,-11.0,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc4c2c(C)nn4c5ccccc5,0.0
79426,CO-ADD:0306713,-11.0,c1(c(cccn2)c2)cc(c3ccc(cc3)SC)nc(ccc(cccc4)c45)c15,0.0
79427,CO-ADD:0305445,-11.0,C1(NC(=O)NC2c3ccccc3OC)=C2CCc(cccc4)c14,0.0
79428,CO-ADD:0305665,-11.0,C(=C(C)NC(=C1C#N)SCC(=O)Nc2c(OC)ccc(Cl)c2)(C(=O)Nc3ccccc3C)C1c4ccccc4,0.0
79429,CO-ADD:0307508,-11.0,c1(C#N)c(cc(nc1SCC(=O)Nc2nnc(C)s2)c3ccccc3)c(cc4OC)cc(c4OC)OC,0.0
79430,CO-ADD:0311457,-11.0,c1([nH]nc(C(C)(C)CO)c1)C(F)(F)F,0.0
79431,CO-ADD:0311565,-11.0,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4ccc(cc4)Br)n1c5cccc(cccc6)c56,0.0
79432,CO-ADD:0307002,-11.01,c12c(CCNC1c3cc(Cl)ccc3O)cc(c(OC)c2)OC,0.0
79433,CO-ADD:0323903,-11.01,N(C(N)=CC(N1)=O)=C1S\C=C\c2ccccc2,0.0
79434,CO-ADD:0321372,-11.01,C(=O)(NC(CC1(C)C)CC(N1)(C)C)c(c2)cc(cn2)Br,0.0
79435,CO-ADD:0323375,-11.01,S(=O)(=O)(N1CCCCC1)c(c(C)ccc2C(c(cccc3)c3C(N4CC(=O)Nc(cc5)ccc5OC(F)(Cl)F)=O)=N4)c2,0.0
79436,CO-ADD:0324668,-11.01,S(=O)(=O)(c1ccc(c(C)c1)OC)N(CC2)CCN2c3ccc(cc3)C,0.0
79437,CO-ADD:0319273,-11.01,N(Cc(cc(OCO1)c1c2)c2Cl)(C3=O)C(=O)N(c4c3n(Cc5ccccc5)cn4)C,0.0
79438,CO-ADD:0321234,-11.01,[n+]1([O-])cc(Cl)cc(Cl)c1NCCCN(CC2)CCO2,0.0
79439,CO-ADD:0323534,-11.02,C(=O)(Nc(cc1)ccc1Br)c2ccc(c(OC)c2)OCc3cccc(F)c3,0.0
79440,CO-ADD:0324014,-11.02,C1(C(NCCOC(C2)(C3)CC(CC3CC24)C4)=O)=Cc(cccc5CC=C)c5OC1=O,0.0
79441,CO-ADD:0324038,-11.02,c1(c2ccc(c(F)c2)F)c(C)sc(N)n1,0.0
79442,CO-ADD:0323121,-11.03,S(=O)(=O)(NCc1ccccc1Cl)c2ccc(c3c2cccn3)OC,0.0
79443,CO-ADD:0312423,-11.03,C(Nc(cc1)ccc1OC(F)(Cl)F)(C(OC)=O)(C(F)(F)F)NC(=O)c2ccc(cc2)OC,0.0
79444,CO-ADD:0311545,-11.03,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2CCc(cc4)ccc4O)=O,0.0
79445,CO-ADD:0312336,-11.03,[N+](=O)([O-])c(cc1)cc(c1C(NCCCCCCCC)=O)SCc2ccccc2,0.0
79446,CO-ADD:0312396,-11.03,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3cccc(F)c3,0.0
79447,CO-ADD:0312391,-11.03,C(C(OC)=O)(=CN(CC(OC)=O)C=C1C(OC)=O)C1c2ccc(cc2Cl)Cl,0.0
79448,CO-ADD:0312428,-11.04,C12(c3c(N(CC)C1=O)cccc3)C(C#N)=C(N)Oc([nH]n4)c2c4c(cc5)ccn5,0.0
79449,CO-ADD:0305154,-11.04,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c4ccc(c(OCc5ccccc5)c4)OC,0.0
79450,CO-ADD:0300536,-11.04,c1(NC(COc(cc2)ccc2Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OC,0.0
79451,CO-ADD:0300320,-11.04,N1(c2ccc(cc2)CC)CC(CC1=O)C(=O)Nc(cc3)ccc3C#N,0.0
79452,CO-ADD:0301065,-11.04,c1(c(ccc(c1)[N+](=O)[O-])OC(C)C)[N+](=O)[O-],0.0
79453,CO-ADD:0301097,-11.04,N1(c2ccc(cc2)F)C(N(N=C1C(C)=O)c3ccc(cc3)C)c4c5c([nH]c4)cccc5,0.0
79454,CO-ADD:0300505,-11.04,C1(C)=CC(=O)Oc(cc(OCC(=O)c2ccc(cc2)C)cc3OCC(=O)c4ccc(cc4)C)c13,0.0
79455,CO-ADD:0301148,-11.05,N1(C(=O)c2ccccc2Cl)N=C(CC1(O)C(F)(F)F)C3CCCCC3,0.0
79456,CO-ADD:0300276,-11.05,N1(c2ccc(cc2)Cl)C(=O)\C(=C\c(ccc(c3OC)OC)c3OC)\C(NC1=S)=O,0.0
79457,CO-ADD:0300873,-11.05,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N4CCCCC4,0.0
79458,CO-ADD:0301074,-11.05,c1(C#N)c(C#N)c(n(c2ccc(cc2)OC)c1N)c(cccc3[N+](=O)[O-])c3,0.0
79459,CO-ADD:0301659,-11.06,C1(C(OCC)=O)=C(c2ccccc2)NC(=S)NC1c3cc(OC)ccc3OC,0.0
79460,CO-ADD:0302826,-11.06,C1(C(F)(F)F)(C(F)(F)F)N=C(C=CC(=C2)Cl)N2C(=O)N1,0.0
79461,CO-ADD:0302545,-11.06,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c5ccccc5F)cccc4,0.0
79462,CO-ADD:0301674,-11.06,C1(c2ccccc2[N+](=O)[O-])=N\C(\C(=O)O1)=C/c3ccc(cc3Cl)Cl,0.0
79463,CO-ADD:0302827,-11.06,n1(c2ccc(cc2)OC)c(S)nnc1c(cc3)ccn3,0.0
79464,CO-ADD:0302488,-11.06,C(O)(c1cccc(C)c1)(c2cccc(C)c2)C(=O)N\N=C(\CCCC3)/C3,0.0
79465,CO-ADD:0304256,-11.06,N12c(c(CCC1)ccc3)c3C(=CC2=O)C,0.0
79466,CO-ADD:0304240,-11.07,c1(c(OC)ccc(cccc2)c12)C3N(CCCN3Cc(cc4)ccc4OC)Cc(cc5)ccc5OC,0.0
79467,CO-ADD:0302491,-11.07,C1(=O)\C(=N/C)\c2c(cccc2)N1,0.0
79468,CO-ADD:0304351,-11.07,C(=O)(Oc(cc1)ccc1Cl)c2ccccc2N,0.0
79469,CO-ADD:0301693,-11.07,c1(C(OC)=O)c(C)c(sc1N)\C(\C)=C\C#N,0.0
79470,CO-ADD:0302833,-11.07,N1(CCc2ccccc2)\C(=N\CCc3ccccc3)\SC(C(=O)Nc(cc4)ccc4C(O)=O)CC1=O,0.0
79471,CO-ADD:0305497,-11.07,c1(C(OCC)=O)c(CN)oc(C(C)(C)C)c1.Cl,0.0
79472,CO-ADD:0305528,-11.08,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)NCC(C)O,0.0
79473,CO-ADD:0312264,-11.08,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4ccc(C)o4,0.0
79474,CO-ADD:0305426,-11.08,S(=O)(=O)(c1ccc(cc1)C)NC2CCCC2Cl,0.0
79475,CO-ADD:0305707,-11.08,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3OCC)C2c4ccco4,0.0
79476,CO-ADD:0307616,-11.09,c1(cccc(F)c1F)C(=O)N(CC2)CCN2c3ccc(cc3F)C(CCC)=O,0.0
79477,CO-ADD:0306988,-11.09,C(OC)(F)(C(F)(F)F)C(=O)Nc1ccc(c(Br)c1C(O)=O)C,0.0
79478,CO-ADD:0312283,-11.09,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)NC4CCCC4)ccc(Br)c3,0.0
79479,CO-ADD:0305749,-11.09,C1(=Cc(c2OC1c3ccccc3)cccc2OC)[N+](=O)[O-],0.0
79480,CO-ADD:0312219,-11.09,C1(CCC(NC1c2ccccc2OCCCC)=O)[N+](=O)[O-],0.0
79481,CO-ADD:0306946,-11.09,c1(N(C)C)nc(OCC(F)(F)F)nc(Nc(cc2)ccc2OC(F)(F)Cl)n1,0.0
79482,CO-ADD:0307148,-11.1,n1c(O)cc(nc1SCC(=O)Nc(cc2)ccc2OC(F)(F)Cl)CCC,0.0
79483,CO-ADD:0323451,-11.1,c1(cc([nH]2)c3ccccc3)c2cc(cc1Oc(c(Cl)c4)ncc4C(F)(F)F)[N+](=O)[O-],0.0
79484,CO-ADD:0323696,-11.1,c1(OC)cc(CNCCc2ccccc2)ccc1O.Cl,0.0
79485,CO-ADD:0319838,-11.11,C(F)(F)(F)c1cccc(c1)NC(CSCC(=O)Nc2ccccc2)=O,0.0
79486,CO-ADD:0323143,-11.11,c(c(C)nc(c1C(O)=O)Cl)(c1C)[N+](=O)[O-],0.0
79487,CO-ADD:0323136,-11.11,c1(NC(=O)Nc2cccc(Cl)c2)c(Cl)nc(c(Cl)c1C)C,0.0
79488,CO-ADD:0320805,-11.11,C1(Nc(cc2)ccc2OC(F)(Cl)F)OC(CO)C(C(O)C1O)O,0.0
79489,CO-ADD:0320419,-11.12,S(=O)(=O)(NCc1ccccn1)c(c(C)ccc2c3c4c(cccc4)c(nn3)Nc(ccc(c5C(N)=O)OC)c5)c2,0.0
79490,CO-ADD:0320515,-11.12,S(=O)(=O)(N(CC)CC)c(cc1)ccc1C(=O)Nc(cc2)ccc2Cc(cc3)ccn3,0.0
79491,CO-ADD:0320322,-11.12,c12c(C(N(C)C(=O)N1C)=O)n(c(NC(CO)CO)n2)Cc(cc3)ccc3Br,0.0
79492,CO-ADD:0321244,-11.12,n1(N)c(SCC(=O)Nc(cccc2[N+](=O)[O-])c2)nnc1c(cccn3)c3,0.0
79493,CO-ADD:0324452,-11.12,S(NCCC(C1)(CC(CC12)CC3C2)C3)(=O)(=O)c4c(C)cc(c(OC)c4)C,0.0
79494,CO-ADD:0324804,-11.12,S(=O)(=O)(c(cc1)ccc1S(NCCc(c2c([nH]3)cccc2)c3)(=O)=O)N(CC4)CCO4,0.0
79495,CO-ADD:0320769,-11.12,c1(nc(N[N+](=O)[O-])nc2N)n2c(nn1)C,0.0
79496,CO-ADD:0320833,-11.12,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1N(CC2)CCN2S(C)(=O)=O,0.0
79497,CO-ADD:0301025,-11.12,n1(CC(=O)N\N=C\c(cc2)ccc2OC)c(C)cc(C)n1,0.0
79498,CO-ADD:0300906,-11.12,[N+](=O)([O-])c1ccc(cc1NCCNC(=O)c2ccccc2Cl)Cl,0.0
79499,CO-ADD:0301115,-11.12,c1(ccc(cc1Cl)NCc(ccc(c2OC)OCc3ccccc3Cl)c2)N4CCCCC4,0.0
79500,CO-ADD:0301092,-11.13,N1(c2ccc(cc2)C)C(N(N=C1C(C)=O)c3ccccc3)c4c5c([nH]c4)cccc5,0.0
79501,CO-ADD:0300924,-11.13,c1(SC(c2ccccc2)c3ccc(cc3)Cl)[nH]c(c4n1)cccc4,0.0
79502,CO-ADD:0304556,-11.13,C1(C(OC)=O)=C(C)N(C(=O)NC1c2cc(Br)ccc2F)C,0.0
79503,CO-ADD:0305029,-11.13,c1(cc(F)c(cc1N(CC2)CCN2C(CCC)=O)N3CCCC3)[N+](=O)[O-],0.0
79504,CO-ADD:0305039,-11.13,C1(Nc(cccc2)c2C(=O)N1)(c3c(N4Cc5ccccc5F)cccc3)C4=O,0.0
79505,CO-ADD:0304544,-11.13,N1(c2ccc(cc2)C)C(=O)c(c3C1=O)ccc(c3)C(=O)Nc(cc4)ccc4C(OC)=O,0.0
79506,CO-ADD:0305376,-11.14,S(=O)(=O)(c(ccc1c2c3c(o1)cccc3)c2)Nc4ccccc4OCCCC,0.0
79507,CO-ADD:0301189,-11.14,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(cc(n4c(cc5)ccc5C(O)=O)C)c4C)\C1=O)=NC(C)=C2C(OC)=O,0.0
79508,CO-ADD:0304347,-11.14,n12c(ccc(cccc3)c13)nnc2c(cc4)cc(c4Oc5ccc(cc5[N+](=O)[O-])[N+](=O)[O-])OC,0.0
79509,CO-ADD:0301654,-11.14,C1(C#N)=C(N)OC(=C2C1c3c(cccc3F)Cl)CCCC2=O,0.0
79510,CO-ADD:0304405,-11.15,N1(CCC2=CCCCC2)C(=O)\C(=C\NCCN(C)C)\C(NC1=O)=O,0.0
79511,CO-ADD:0303208,-11.15,c1(cc(Br)c(c23)cccc2)c3NC(=O)CC1c4cccc(OC)c4OC,0.0
79512,CO-ADD:0303278,-11.15,n1(CC=C)c(SCC(=O)c2cccs2)nnc1c3cccc(OC)c3,0.0
79513,CO-ADD:0303270,-11.15,[N+](=O)([O-])c(cc1)cc(c1N(CC2)CCN2C(=O)c3cccc(Br)c3)Cl,0.0
79514,CO-ADD:0302810,-11.16,n1(c2c(n3)cccn2)c3S\C(=C/c(ccc4c(cc5)cc(c56)COC6=O)o4)\C1=O,0.0
79515,CO-ADD:0302732,-11.16,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4)ccc4N5C(c6ccccc6)CC(c7ccccc7)=N5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
79516,CO-ADD:0301440,-11.16,c1(NC(=O)c2ccccc2Cl)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OCC,0.0
79517,CO-ADD:0302763,-11.16,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cnn3c4ccc(c(C)c4)C)c3,0.0
79518,CO-ADD:0303068,-11.16,[N+](=O)([O-])c(ccc1c2c(CCN)c([nH]1)C)c2.Cl,0.0
79519,CO-ADD:0301910,-11.17,c1(c2c(sc1NC(=S)Nc3ccccc3)CCCCC2)C(=O)Nc4ccccc4C,0.0
79520,CO-ADD:0312244,-11.17,C1(CCC(NC1c2ccccc2F)=O)[N+](=O)[O-],0.0
79521,CO-ADD:0307029,-11.17,c1(OC(=O)C=C2C)c2ccc(O)c1OC(C)=O,0.0
79522,CO-ADD:0307121,-11.17,S(=O)(=O)(NC(C)(C)C)c(c(C)ccc1c2c3c(cccc3)c(nn2)Nc(cc4)ccc4OC(Cl)(F)F)c1,0.0
79523,CO-ADD:0306828,-11.17,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3cccc(OCC)c3,0.0
79524,CO-ADD:0306116,-11.17,C(=O)(c1ccc(cc1)Br)N(CC2)CCN2c3ccc(cc3F)C(CC)=O,0.0
79525,CO-ADD:0306093,-11.17,C(C(F)(F)F)(C(F)(F)F)(NC(c(cc1)ccn1)=O)Nc2sc(c3c2C#N)CCCCC3,0.0
79526,CO-ADD:0307386,-11.17,N1(CC2=NCCc(cccc3)c23)C(=O)c(c4C1=O)cccc4,0.0
79527,CO-ADD:0307643,-11.18,S(=O)(=O)(c(cc1)ccc1N2CCCC2=O)Nc(cc3)ccc3OCCCCC,0.0
79528,CO-ADD:0307309,-11.18,N(c1c(cccc1)NC(CC(C)(C)CC2=O)=C23)(C(=O)c(cc4OC)cc(c4OC)OC)C3c5cccc(Br)c5,0.0
79529,CO-ADD:0306921,-11.18,c12c(n(c(N\N=C/c3ccc(cc3OC)OC)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
79530,CO-ADD:0311963,-11.18,C(/C(=O)NN1c2ccccc2)(\C1=O)=C(/c3c(N4Cc5cccc(cccc6)c56)cccc3)\C4=O,0.0
79531,CO-ADD:0311971,-11.18,c1(cc(oc1C)CC(C)C)C(=O)Nc2cccc(OCCC)c2,0.0
79532,CO-ADD:0320886,-11.18,C1(=C(Nc(cc2)ccc2Cl)C(c(cccc3)c3C1=O)=O)n4c5c(nn4)cccc5,0.0
79533,CO-ADD:0320759,-11.18,C1(C(OC)=O)(C(F)(F)F)N=C(C=CC(=C2)Br)N2C(c3ccc(cc3)F)=N1,0.0
79534,CO-ADD:0300372,-11.18,n1(C(OCC)=O)ncc(C#N)c1N,0.0
79535,CO-ADD:0300396,-11.18,c(C(=O)Nc1cccc(C)c1C)(sc(c23)nc(c(C#N)c2c(cc4)ccc4C(C)C)N)c3N,0.0
79536,CO-ADD:0301125,-11.18,N1(Nc2c(F)c(F)c(c(F)c2F)F)\C(=N\c(cc3)ccc3Cl)\SC(C(=O)Nc(cc4)ccc4C(OC)=O)CC1=O,0.0
79537,CO-ADD:0301070,-11.18,C1(Cl)(C(C)C(C(C#N)=C1N)(C#N)C#N)[N+](=O)[O-],0.0
79538,CO-ADD:0300338,-11.19,N1(c2ccc(cc2)O)C(c3ccccc3)Nc(c4C1=O)cccc4,0.0
79539,CO-ADD:0305375,-11.19,N1(c(ccc(c2s3)nc3SCC(=O)N4CCc(cccc5)c45)c2)C(=O)c(c6C1=O)cccc6[N+](=O)[O-],0.0
79540,CO-ADD:0301444,-11.19,C(C(OCC)=O)(=CN(c1ccc(cc1)C)C=C2C(OCC)=O)C2c3cccc(OCC)c3,0.0
79541,CO-ADD:0304186,-11.19,C(/CC1CC)(=C/c(cc2)ccc2OCC(N)=O)\C(=O)\C(\C1)=C\c(cc3)ccc3OCC(N)=O,0.0
79542,CO-ADD:0301751,-11.2,N(CCC)CC1CCCCC1.Cl,0.0
79543,CO-ADD:0301721,-11.2,N1(c2ccc(cc2)C)C(=O)NC(\C(=C\c(ccc(c3OC)OCCOc(cc4)ccc4C(C)(C)C)c3)\C1=O)=O,0.0
79544,CO-ADD:0302635,-11.2,C(=C\c(cc1)ccc1F)(/NC(c2ccccc2)=O)\C(=O)Nc(cc3)ccc3C,0.0
79545,CO-ADD:0303572,-11.2,N1(c2ccc(cc2)Cl)C(=O)\C(=C\c(cc3OC)cc(c3O)OC)\C(NC1=S)=O,0.0
79546,CO-ADD:0301442,-11.2,c1(NC(=O)c2ccc(cc2)Cl)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OCC,0.0
79547,CO-ADD:0302973,-11.21,N1(CN(Cc2cccs2)CN3C(=O)c4c(cccc4)C3=O)C(=O)c(c5C1=O)cccc5,0.0
79548,CO-ADD:0304209,-11.21,C(=O)(Nc(ccc(c1C)Br)c1)C(=O)NC2CCC(CC2)C,0.0
79549,CO-ADD:0301823,-11.21,c1(NC(COc(cc2)ccc2CCC)=O)sc3c(CCC(C(C)(C)C)C3)c1C(OCC)=O,0.0
79550,CO-ADD:0302976,-11.21,C1(=O)\C(=C(\C)/C)\C(NN1c2ccc(c(Cl)c2)F)=O,0.0
79551,CO-ADD:0301847,-11.21,c1(NC(=O)c(ccc(c2[N+](=O)[O-])C)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3F,0.0
79552,CO-ADD:0311794,-11.21,C(=O)(c1ccc(c(F)c1)F)N2CCC(CC2)C,0.0
79553,CO-ADD:0311603,-11.22,C1(=NCC(C)(C)S1)N(c2ccc(cc2)OC(F)(F)F)C(=O)Nc3ccccc3,0.0
79554,CO-ADD:0311627,-11.22,N1(c2ccc(cc2)OC)C(=O)CC(N(Cc(ccc(c34)OCO3)c4)C(=O)c5cccc(F)c5)C1=O,0.0
79555,CO-ADD:0306845,-11.22,n1(nc(n2)NC(CC)=O)c2nc(COC)cc1O,0.0
79556,CO-ADD:0307018,-11.22,N1(c2ccc(cc2)OCC)C(=O)C(C(C1=O)C34CO)C(c(c35)cccc5)c(c46)cccc6,0.0
79557,CO-ADD:0312311,-11.22,C(=O)(c1ccc(cc1)Oc2ccccc2)NCc(ccc(c34)OCO3)c4,0.0
79558,CO-ADD:0307522,-11.22,C(C(OC)=O)(C(OC)=O)C(Br)C(=O)c1ccc(cc1)Br,0.0
79559,CO-ADD:0305571,-11.22,c1(c(cccc2N(C(C)=O)Cc3ccccc3OCc(cc4)ccc4Cl)c2)sc(c5n1)cccc5,0.0
79560,CO-ADD:0311455,-11.22,C(N)(C(Cl)(Cl)Cl)(C1)Oc(c2C1=O)cc(cc2C)C,0.0
79561,CO-ADD:0306872,-11.22,c1(c2C(C)C)c([nH]n2)OC(=C(C#N)C13CCN(CC3)C)N,0.0
79562,CO-ADD:0305672,-11.24,C(C(=O)Nc(cc1)ccc1Cl)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3Br)C2c4ccccc4,0.0
79563,CO-ADD:0312281,-11.24,n1(c2ccccc2)nnnc1SCC(=O)c(ccc3c4Cc(c35)cccc5)c4,0.0
79564,CO-ADD:0311424,-11.24,N1(C(OCC)=O)c(cc2)c(OC1=O)cc2S(=O)(=O)N(CC3)CCO3,0.0
79565,CO-ADD:0320576,-11.24,N1(C(CCSC)C(O)=O)C(=O)c(c2C1=O)cccc2,0.0
79566,CO-ADD:0320911,-11.24,S(=O)(=O)(N(CC1)CCN1C23CC(CC4C2)CC(C4)C3)c5c(C)ccc(nsn6)c56,0.0
79567,CO-ADD:0320831,-11.25,S(N)(=O)(=O)c(c(Cl)cc(c1C(NCCOc(cc2)ccc2Cl)=O)Cl)c1,0.0
79568,CO-ADD:0320967,-11.25,N1(C)C(C)(C)CC(CC1(C)C)N(C)C(=O)c2ccco2,0.0
79569,CO-ADD:0321424,-11.25,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/N,0.0
79570,CO-ADD:0324158,-11.25,n1(c2ccc(c3c2)OCO3)nnnc1SCC(=O)N4c5c(C(CN(C)CC6)C46)cc(C)cc5,0.0
79571,CO-ADD:0323022,-11.26,N1(c2ccccc2)C(=O)CC(N(CC3)CCN3C45CC6CC(CC(C6)C4)C5)C1=O,0.0
79572,CO-ADD:0300407,-11.26,C12(C)C(CC(O)CC1)=CCC(C2CC3)C4C3(C)C(CC4)N,0.0
79573,CO-ADD:0300455,-11.26,c1(nnc(Cc(cc2)ccc2C)s1)NC(=O)c3cccs3,0.0
79574,CO-ADD:0305199,-11.26,N(C(=O)C=C(N1)N)=C1SCCC(O)=O,0.0
79575,CO-ADD:0305370,-11.26,N1(CCO)C(=O)C(C(C(c(c23)cccc2)c(c45)cccc4)C1=O)C35,0.0
79576,CO-ADD:0304818,-11.26,C(C(=O)c1ccc(cc1)C)(C2c3ccc(c(OC)c3)OC)=C(O)C(N2CCCn(ccn4)c4)=O,0.0
79577,CO-ADD:0304906,-11.26,C(C#N)(=C(C)\C(=C\c(ccc1c(cc2)cc(c2C(O)=O)Cl)o1)\C(=N3)O)C3=O,0.0
79578,CO-ADD:0301292,-11.27,c1(c(N)cc(c(C#N)c1)C#N)[N+](=O)[O-],0.0
79579,CO-ADD:0302636,-11.27,C1(=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O)C(=O)OC(C)C(OCC)=O,0.0
79580,CO-ADD:0304148,-11.28,S(=O)(=O)(Nc1ccccc1C(O)=O)c2c(C)ccc(nsn3)c23,0.0
79581,CO-ADD:0304199,-11.28,N1(c(cc2)ccc2N(C)C)C(=O)c3c(NC1c4ccccc4Cl)cccc3,0.0
79582,CO-ADD:0301739,-11.28,N1(c2cccc(C)c2)C(=O)NC(\C(=C\c(cc3OC)cc(c3OCCOc(ccc(c4C)C)c4)Cl)\C1=O)=O,0.0
79583,CO-ADD:0301235,-11.28,C1(C(=O)OCC2CCCO2)=C(C)NC(=C3C1c4cc(Br)ccc4OC)CCCC3=O,0.0
79584,CO-ADD:0302509,-11.28,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C/c(ccc(c3OCC)OCc4ccccc4Cl)c3,0.0
79585,CO-ADD:0303181,-11.28,C1(=COc(c2C1=O)ccc(Cl)c2)C3C4=C(CCCC4=O)NC(C)=C3C(=O)OC5CCCC5,0.0
79586,CO-ADD:0301452,-11.28,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c3ccc(c(OC)c3)OC,0.0
79587,CO-ADD:0302737,-11.28,N1(c2cc(C)ccc2C)C(=O)\C(\C=C1c3ccccc3)=C\c(cc4)ccc4[N+](=O)[O-],0.0
79588,CO-ADD:0302424,-11.28,C(COCCCCCCCC)(CO)(CO)N,0.0
79589,CO-ADD:0302452,-11.29,C(=O)(Nc(cc1)ccc1C(C)(C)C)C(=O)NC(CC2)CCC2C(C)(C)CC,0.0
79590,CO-ADD:0305619,-11.29,c1(cn(n2)c3ccccc3)c2cc(cc1[N+](=O)[O-])[N+](=O)[O-],0.0
79591,CO-ADD:0311936,-11.29,c1(ccc(cc1OCC(=O)NC2CC2)OC)C(c3ccccc3)=O,0.0
79592,CO-ADD:0310825,-11.3,c1(nc2c3C(=O)N(C(=O)N2C)C)n3cc(c4cccc(OC)c4)n1c5c(C)cc(c(C(C)C)c5)O,0.0
79593,CO-ADD:0305422,-11.3,N1(c2ccc(cc2)OC)CC(CC1=O)C(NCCc(cc3)ccc3Cl)=O,0.0
79594,CO-ADD:0306246,-11.3,C1(C(=O)OC(C)C)=C(C)NC(NC1c(cc(OC)c(c2[N+](=O)[O-])O)c2)=O,0.0
79595,CO-ADD:0305531,-11.3,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3)c4c(c3[N+](=O)[O-])cccn4,0.0
79596,CO-ADD:0311697,-11.3,C(CSCC(=O)OCC(=O)c1ccc(cc1)Br)(=O)Nc(cc2)ccc2Br,0.0
79597,CO-ADD:0311387,-11.3,N(CC1C)(CC(O1)C)C(=O)\C(=C/c2ccccc2)\NC(c3ccccc3)=O,0.0
79598,CO-ADD:0311967,-11.3,c1(C(N)=O)cc(oc1C)CC(C)C,0.0
79599,CO-ADD:0306345,-11.31,C1(C#N)=C(c2ccccc2)C=C(c3ccc(cc3)CC)NC1=O,0.0
79600,CO-ADD:0312600,-11.31,C1=C[C@@]2([C@]([C@]34C(F)(F)F)(C(F)(F)F)[C@@]5(O[C@H]3C=C5)CSC2)O[C@H]14,0.0
79601,CO-ADD:0312650,-11.31,C1=C[C@@H]2O[C@@]13[C@@]([C@]24[H])([H])[C@]([C@H](N([C@@H]35)C(=O)c6occc6)C(C([C@H]5C)=O)C)(C(=C7C(OC)=O)C(OC)=O)O[C@@H]47,0.0
79602,CO-ADD:0311118,-11.31,C(=O)(Nc(cccc1C(C)O)c1)c2ccccc2SC,0.0
79603,CO-ADD:0306336,-11.31,C12(C(=O)Nc(ccc(C)c3Br)c13)C(C#N)=C(N)Oc([nH]nc4c(cc5OC)cc(c5OC)OC)c24,0.0
79604,CO-ADD:0305979,-11.31,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCOc3cccc(Cl)c3Cl)c1C,0.0
79605,CO-ADD:0305805,-11.31,c1(NC(=O)c2ccc(c(OC)c2)OCc3cccc(F)c3)sc(c(C)c1C(OC)=O)C,0.0
79606,CO-ADD:0311376,-11.31,C(C(OC)=O)(Nc1ccccn1)(C(F)(F)F)NC(=O)c2ccc(cc2)OC,0.0
79607,CO-ADD:0311780,-11.31,C(=O)(C(O)(c1ccc(cc1)OCC)c2ccc(cc2)OCC)NN(C(C)c3ccc(cc3)OCC)C(c4ccccc4)=O,0.0
79608,CO-ADD:0320582,-11.31,c1(c[nH]nc1N)C#N,0.0
79609,CO-ADD:0320367,-11.32,N1(O)C(C)(C)CC(CC1(C)C)NC(=O)N(C)C,0.0
79610,CO-ADD:0320276,-11.33,n1(CC=C)c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1c3ccco3,0.0
79611,CO-ADD:0324270,-11.33,N1(c2ccc(cc2)F)C(=O)\C(\C(CCC)=N1)=C/NCCN(CC3)CCN3,0.0
79612,CO-ADD:0323798,-11.33,S(=O)(=O)(Oc1ccccc1F)NC(=O)Nc(cc2)ccc2OC(Cl)(F)F,0.0
79613,CO-ADD:0323311,-11.33,c1(Sc2c(c3ccccc3)c4c(nc2O)cccc4)nnc(c(cc5)ccn5)n1c6ccccc6,0.0
79614,CO-ADD:0324472,-11.34,N(C(=O)CC(S1)C(=O)Nc2cccc(C)c2)=C1Nc(ccc(c3C)C)c3,0.0
79615,CO-ADD:0324488,-11.34,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(=O)Nc(c(Cl)ccc4C(F)(F)F)c4)n2,0.0
79616,CO-ADD:0324504,-11.34,C1(CC2CC=C(C)C2(C)C)N(c3ccc(cc3)C)CCN1c4ccc(cc4)C,0.0
79617,CO-ADD:0304882,-11.34,c1(c(NN)ccc(c1)C(F)(F)F)[N+](=O)[O-],0.0
79618,CO-ADD:0304795,-11.34,n1(c(c2ccc(cc2)C)c(nn1)C(NN)=O)c3nonc3N,0.0
79619,CO-ADD:0305036,-11.34,N1(CCNC(=O)CC(c(cccc2)c2C(N3C)=O)=N3)C(=O)CSC1=O,0.0
79620,CO-ADD:0305044,-11.34,c(C(=O)N1CCCCC1)(sc(c23)nc(cc2C(F)(F)F)c4ccccc4)c3N,0.0
79621,CO-ADD:0304962,-11.35,N(C(=O)\C(\S1)=C/c2ccc(cc2OCC)OCC)=C1N3CCCCC3,0.0
79622,CO-ADD:0304978,-11.35,N1(CCc(cc(Br)cc2)c12)C(=O)c(ccc(c3[N+](=O)[O-])SCC)c3,0.0
79623,CO-ADD:0300302,-11.35,N(C)(C(=O)C(Cc1cc(OC)ccc1OC)C(N2C)=O)C2=O,0.0
79624,CO-ADD:0300559,-11.35,C12=C(CC(c(ccc(c34)OCO3)c4)CC1=O)Nc(c5NC2c(cc6)ccc6c7ccccc7)cccc5,0.0
79625,CO-ADD:0305171,-11.35,C(C(=O)OCc1ccccc1)(=C(C)NC(=C23)CCCC2=O)C3c4cccc(C)c4,0.0
79626,CO-ADD:0301390,-11.35,C(C(=O)c1ccc(cc1)Cl)(C2c3cccc(OC)c3)=C(O)C(N2CCO)=O,0.0
79627,CO-ADD:0302108,-11.35,C(=O)(Nc(cc1)ccc1C(O)=O)c2ccccc2NC(COc(cc3)ccc3C(C)(C)C)=O,0.0
79628,CO-ADD:0303873,-11.36,N1C(c(cc2OC)cc(c2O)Cl)SCC1C(O)=O,0.0
79629,CO-ADD:0304315,-11.36,C(C(C)=O)(C1c2ccc(c(OC)c2)O)=C(O)C(N1c3ccc(cc3)Br)=O,0.0
79630,CO-ADD:0301820,-11.36,n1(c2ccc(cc2)Oc(cc3)ccc3OC)c(C)ccc1C,0.0
79631,CO-ADD:0302982,-11.36,c(cc1O)(C(OCCC)=O)c2c(n1)cccc2,0.0
79632,CO-ADD:0302660,-11.36,[n+]1([O-])c(cc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(Nc(cc3)ccc3C)n1c4ccc(cc4)C,0.0
79633,CO-ADD:0304339,-11.36,n1c(c(cc2)ccc2NC(=O)c3ccccc3OC)csc1c4ccccc4,0.0
79634,CO-ADD:0303671,-11.36,N1(c2ccc(cc2)OC(C)C)CC(CC1=O)C(=O)Nc3cccc(OC)c3,0.0
79635,CO-ADD:0301777,-11.36,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OCC)c5)OCc6ccccc6,0.0
79636,CO-ADD:0303176,-11.37,C(c1ccccc1)(=O)Oc(ccc(c2C#N)C#N)c2,0.0
79637,CO-ADD:0306190,-11.37,c1(conc1C(c2ccccc2)=O)C(=O)c3ccc(cc3)Cl,0.0
79638,CO-ADD:0311250,-11.37,c1(NC(=O)c2cc(Cl)ccc2OC)sc(c(C)c1C(OCC)=O)C,0.0
79639,CO-ADD:0306947,-11.37,c1(Nc(cc2)ccc2OC(F)(F)F)nc(NC)nc(OCC(F)(F)F)n1,0.0
79640,CO-ADD:0305799,-11.37,c1(scc(c2ccccc2)c1C(OCC)=O)NC(=O)c3ccccc3[N+](=O)[O-],0.0
79641,CO-ADD:0307387,-11.37,C(=C(\N)/N)(/[N+](=O)[O-])\[N+](=O)[O-],0.0
79642,CO-ADD:0312621,-11.37,c(cc1c(C(C(CC(=O)N(c2cccc(C(F)(F)F)c2)C\C=C\c3ccccc3)C(=O)O)C4C(C1C(=O)O)C(=O)N(c5cccc(C(F)(F)F)c5)C4)c6)c6,0.0
79643,CO-ADD:0312140,-11.38,C(C(OCC)=O)(C(F)(F)F)(NC(OCC)=O)Nc1sc(c2c1C#N)CC(CC2)C,0.0
79644,CO-ADD:0312630,-11.38,C(C1C2C(=O)N(Cc3ccccc3)C1)c(c4C2C(=O)O)scc4,0.0
79645,CO-ADD:0305806,-11.38,c1(NC(=O)c(ccc(c2[N+](=O)[O-])Cl)c2)sc(c(C)c1C(OC)=O)C,0.0
79646,CO-ADD:0306268,-11.38,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c(cc2)ccc2C(F)(F)F,0.0
79647,CO-ADD:0305739,-11.38,C1(C(OC)=O)=C(C)N(C(=O)NC1c2cc(OC)c(cc2OC)Br)C,0.0
79648,CO-ADD:0310851,-11.38,C1(OC)(c2c(cccc2)CC(C)(C)N1)C(=O)C(=O)Nc3ccccc3Cl,0.0
79649,CO-ADD:0311446,-11.38,n1(Cc(cc2)ccc2OC)nc(cc1c3ccccc3O)c4ccccc4,0.0
79650,CO-ADD:0306721,-11.39,C(C(c1ccccc1)=O)C(c2ccc(cc2)Br)Nc(cc3)ccc3C(OCC)=O,0.0
79651,CO-ADD:0311275,-11.39,c(C(=O)Nc1ccccc1)(c2N)sc3c2cc(c4n3)CCCCC4,0.0
79652,CO-ADD:0307270,-11.39,c(sc1c2c(COC)cc(C)n1)(C3=O)c2N=NN3c4ccc(cc4C)C,0.0
79653,CO-ADD:0305889,-11.39,c1(NC(=O)c2ccc(c(OC)c2)OC)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
79654,CO-ADD:0323345,-11.39,c12c(ccc(c1)N(CC3)CCN3C(CCCC(O)=O)=O)C(=O)c4c(cccc4)C2=O,0.0
79655,CO-ADD:0321261,-11.39,C12(c3c(cccc3)C(=NN1c4ccccc4)C)SC(=NN2c5ccccc5OC)C(=O)Nc6ccccc6,0.0
79656,CO-ADD:0319237,-11.39,S(=O)(=O)(c1ccc(cc1)NC(COc(ccc(c23)cccc2)c3)=O)N4CCCCC4C,0.0
79657,CO-ADD:0319277,-11.39,c1(c2ccc(cc2Cl)Cl)nnc(SCC(=O)Nc(cccc3[N+](=O)[O-])c3)o1,0.0
79658,CO-ADD:0324497,-11.4,c1(c(C)cc(cc1C)C)C(=O)c(cc2)ccc2C(=O)Nc3ccccc3C(N)=O,0.0
79659,CO-ADD:0323090,-11.4,c1(sc(c23)nc(c(Cl)c2C)C)c3nc(n(c4c(cccc4)n5)c15)C,0.0
79660,CO-ADD:0304924,-11.4,[N+](=O)([O-])c(cc(C#N)c(c12)C=Cc(cccc3)c3O1)c2,0.0
79661,CO-ADD:0304477,-11.4,P(c1ccccc1)(N(CC)CC)(N(CC)CC)=NN=Nc2sc(c3n2)cccc3,0.0
79662,CO-ADD:0304909,-11.4,n1(c2ccccc2)c(SCC(=O)N(C)C)nnc1c3cccc(F)c3,0.0
79663,CO-ADD:0300753,-11.4,C1(C)(C)C(c2ccccc2)OC(C([H])(CC)C1=O)=O,0.0
79664,CO-ADD:0300785,-11.41,C(/C#N)(=C/c(ccc1c2ccc(cc2Cl)Cl)o1)\C(=O)OC(C)CC,0.0
79665,CO-ADD:0305101,-11.41,[n+]1([O-])cn(cc1C)O,0.0
79666,CO-ADD:0303968,-11.41,C(=O)(c1ccc(c(OC)c1)OC)N(CC2)CCN2CCNC(=O)C(=O)Nc(cc3)ccc3CC,0.0
79667,CO-ADD:0301880,-11.42,N1(CC(C)C)C(=O)c2c(C(c3ccccc3)=N1)cccc2,0.0
79668,CO-ADD:0304127,-11.42,[n+]1([O-])onc(C)c1COc2ccccc2\C=C(/C3=O)\N=C(O3)c4ccccc4,0.0
79669,CO-ADD:0303731,-11.42,c1(c2ccc(c(OC)c2)O)[nH]c(c3n1)cccc3,0.0
79670,CO-ADD:0301843,-11.42,c1(O)nonc1O,0.0
79671,CO-ADD:0302902,-11.43,N1(Nc2ccccc2)C(=O)\C(\N=C1c3ccccc3)=C/c(cc4)ccc4Br,0.0
79672,CO-ADD:0301239,-11.43,C(C(OCCOc1ccccc1)=O)(=C(C)NC(=C23)CCCC2=O)C3c(ccs4)c4,0.0
79673,CO-ADD:0303191,-11.43,N1(c2ccc(cc2)N)C(=O)c3c(cccc3)C1=O,0.0
79674,CO-ADD:0301938,-11.43,N1(CN(CCCC2C(=O)N(CC)CC)C2)C(=O)c(c3C1=O)cccc3,0.0
79675,CO-ADD:0301736,-11.43,N1(C2c3ccc(cc3)OC)C(S\C(=C/c4ccccc4OCCOc5ccccc5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
79676,CO-ADD:0303657,-11.44,C1(C)(c2ccco2)NN(C(=S)N1)c3ccccc3,0.0
79677,CO-ADD:0303076,-11.44,c1(scc(c2ccc(cc2Cl)Cl)n1)N3CCc(cccc4)c34,0.0
79678,CO-ADD:0310763,-11.44,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c5ccc(C)o5)cccc4,0.0
79679,CO-ADD:0310831,-11.45,C(=O)(N(CC1)CCN1c2ccc(cc2F)C(CC)=O)c3ccccc3Br,0.0
79680,CO-ADD:0310809,-11.45,c1(C2c(cc3OCC)cc(c3OC(=O)N(CC4)CCO4)Br)c([nH]nc1c5ccc(cc5)OC)OC(N)=C2C#N,0.0
79681,CO-ADD:0311347,-11.45,c1(OC(=O)C=C2C)c2cc(OCCCC)c(Cl)c1,0.0
79682,CO-ADD:0312065,-11.45,c1(SCc(cc2)ccc2CSc3nnc[nH]3)nnc[nH]1,0.0
79683,CO-ADD:0312181,-11.45,S(=O)(=O)(Cc1ccccc1)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NC(C)c4ccccc4,0.0
79684,CO-ADD:0306928,-11.45,C(/N1)(\c2c(CC13CCCCC3)cc(OCO4)c4c2)=C\C(OCC)=O.Cl,0.0
79685,CO-ADD:0311309,-11.46,S(=O)(=O)(N(CC1)CCN1c2ccccc2)c3c(OC)cc(c(C)c3)C,0.0
79686,CO-ADD:0305412,-11.46,c(c1c(s2)CCCCC1)(C3=O)c2N=C(SCC)N3c4ccc(cc4)C,0.0
79687,CO-ADD:0307597,-11.46,c1(SCC(=O)NCc2ccco2)[nH]c3c(ccc(Br)c3)n1,0.0
79688,CO-ADD:0306070,-11.46,C(C(=O)c1ccc(cc1)Cl)(C2c3ccc(cc3)F)=C(O)C(N2CCCCCC(O)=O)=O,0.0
79689,CO-ADD:0310865,-11.46,c1(nncn1C)S\C(=N/Nc(cc2)ccc2C)\C(=O)Nc3ccccc3,0.0
79690,CO-ADD:0312220,-11.46,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c3ccc(cc3)C,0.0
79691,CO-ADD:0306128,-11.46,N(C(N)=CC(N1)=O)=C1SCC(=O)c2ccc(c(OC)c2)OC,0.0
79692,CO-ADD:0307297,-11.47,C(=S)(N(CC1)CCN1c2ccccc2OC)NC(=O)c3ccc(cc3)OC,0.0
79693,CO-ADD:0305956,-11.47,N(CC(OCC(=O)NC1CCCCC1)=O)(c(cccc2)c23)c(cccc4)c4C3=O,0.0
79694,CO-ADD:0312266,-11.47,c12c(cc(C)c(C)c1)NC(CC2c3ccccc3OC(C)C)=O,0.0
79695,CO-ADD:0311861,-11.47,C(Nc(cc1)ccc1OC(Cl)(F)F)(C(OC)=O)(NC(CC)=O)C(F)(F)F,0.0
79696,CO-ADD:0321246,-11.47,n1(N)c(SCC(=O)Nc2sccn2)nnc1c(cccn3)c3,0.0
79697,CO-ADD:0319318,-11.47,S(=O)(=O)(N(CCC)CCC)c(cc1)ccc1C(=O)Nc(ccc(c23)c4c(cccc4)o2)c3,0.0
79698,CO-ADD:0321321,-11.47,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(ccc(c3OCC)OCCOc(ccc(c4C)C)c4)c3)\C2=N,0.0
79699,CO-ADD:0321291,-11.47,C1(C2(C)C)=C(C(SS1)=S)c(c3N2C(=O)Nc(cc4)ccc4Cl)cc(cc3)C,0.0
79700,CO-ADD:0304478,-11.48,n12c(ccc(N=NN=P(N(CC)CC)(N(CC)CC)N(CC)CC)n1)nnn2,0.0
79701,CO-ADD:0300683,-11.48,C12(c3c(NC1=O)ccc(Cl)c3)C(C#N)=C(N)Oc([nH]n4)c2c4C(C)C,0.0
79702,CO-ADD:0300739,-11.48,c1(nonc1N)C(=O)NNC(CC)=O,0.0
79703,CO-ADD:0301172,-11.48,N1(c2ccc(cc2)Oc3ccccc3C)C(=O)C4C(C5CC4C=C5)C1=O,0.0
79704,CO-ADD:0300469,-11.48,N1(CCSC1c2cccs2)c3ccc(cc3)C,0.0
79705,CO-ADD:0304835,-11.48,N1(CC(COc2ccccc2)OC(c(cc3)ccc3N(C)C)O1)C(c4ccccc4)=O,0.0
79706,CO-ADD:0301064,-11.48,c1(Sc(cc2)ccc2[N+](=O)[O-])n(C)c(c(Br)n1)Br,0.0
79707,CO-ADD:0300323,-11.48,n1(c2ccccc2)nnnc1SCc(cc3)ccc3C(c4ccccc4)=O,0.0
79708,CO-ADD:0300451,-11.49,N1(c(cccc2C(F)(F)F)c2)C(=O)C(N(CCc(ccc(c3OC)OC)c3)C1=S)CC(NC)=O,0.0
79709,CO-ADD:0301879,-11.49,N1=C(c2ccccc2)c(cccc3)c3C(=O)N1CCc4ccccc4,0.0
79710,CO-ADD:0303509,-11.49,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c3cccs3,0.0
79711,CO-ADD:0303472,-11.49,C1(C#N)(C#N)C(C)(C)C(C1(C#N)C#N)C\C(\C)=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-],0.0
79712,CO-ADD:0302882,-11.5,N1(C(=O)c(c2C1=O)ccc(c2)[N+](=O)[O-])c3nnc(C)s3,0.0
79713,CO-ADD:0303824,-11.5,S(c1ccccc1)(=O)(=O)N(CC2)CCN2c(cc3)c4c(c3[N+](=O)[O-])cccn4,0.0
79714,CO-ADD:0302567,-11.5,c1(n2cccn2)nnc(C)n1N.Cl.Cl,0.0
79715,CO-ADD:0303070,-11.5,C(C(N)c1ccc(cc1)F)C(OCC)=O.Cl,0.0
79716,CO-ADD:0303303,-11.51,n1(Cc2ccccc2)nnnc1SCC(=O)Nc3c(cccc3Cl)Cl,0.0
79717,CO-ADD:0301995,-11.51,c(C=O)(c(cccc1)c1n2CCOc3ccccc3OC)c2,0.0
79718,CO-ADD:0301990,-11.51,C12=C(OC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5)Cl,0.0
79719,CO-ADD:0302794,-11.51,c1(n(CC(=O)N1c2ccc(c3c2)CCC3)c(c45)C(=O)N(C(=O)N4C)C)n5,0.0
79720,CO-ADD:0311832,-11.52,N1(\N=C\c2cccs2)C(=O)c(ccc(c3)[N+](=O)[O-])c3NC1c4cccs4,0.0
79721,CO-ADD:0307427,-11.52,c1(C#N)c(COC)cc(nc1SCC(=O)Nc(cc2)ccc2C(C)=O)C,0.0
79722,CO-ADD:0311489,-11.52,C1(=NCC(C)S1)N(c2ccc(cc2)OC(F)(Cl)F)C(=O)Nc3ccccc3,0.0
79723,CO-ADD:0310989,-11.52,c1(C2c(cc3)ccn3)c([nH]nc1c4ccc(cc4)F)OC(N)=C2C#N,0.0
79724,CO-ADD:0311783,-11.52,c1(c2cc(OC)ccc2OC)n[nH]c(O)c1,0.0
79725,CO-ADD:0311518,-11.53,C1(CCC(NC1c2ccccc2OCc3ccccc3)=O)[N+](=O)[O-],0.0
79726,CO-ADD:0311085,-11.53,C12(CC3CC(CC(C3)C1)C2)c(cc4)ccc4C(=O)NC(CC(C)C)C(O)=O,0.0
79727,CO-ADD:0311204,-11.53,S(c1ccccc1)(=O)(=O)N(CC(O)CN(Cc2ccccc2)Cc3ccccc3)c4cccc(C)c4,0.0
79728,CO-ADD:0307254,-11.53,c(c(C)nc(c1C(N)=O)Cl)(c1C)[N+](=O)[O-],0.0
79729,CO-ADD:0310847,-11.53,C1(c(cccc2)c2N3C(C)=O)(C(C#N)=C(N)Oc4c1c(C)n[nH]4)C3=O,0.0
79730,CO-ADD:0312348,-11.53,C(=C/c(ccc1c(cccc2[N+](=O)[O-])c2)o1)(/C(=O)N3CCCCC3)\C(=O)N4CCCCC4,0.0
79731,CO-ADD:0311515,-11.53,C(C(OC)=O)(=CN(CC1CCCO1)C=C2C(OC)=O)C2c(ccc(c34)OCO3)c4,0.0
79732,CO-ADD:0307553,-11.54,C(C(OC)=O)(=CN(C(C)c1ccccc1)C=C2C(OC)=O)C2c3cccc(Cl)c3,0.0
79733,CO-ADD:0311606,-11.54,C1(=NCC(C)(C)S1)N(c2ccc(cc2)OC(F)(F)F)C(=O)Nc3cccc(Cl)c3,0.0
79734,CO-ADD:0306130,-11.54,c1(N(CC2)CCO2)nc(Nc3ccccc3)nc(Nc(cc4)ccc4I)n1,0.0
79735,CO-ADD:0311770,-11.54,C(=N/c(cc1)ccc1OC(F)(Cl)F)(/SC(C(=O)Nc(cc2)ccc2OC)CC3=O)\N3CCc4ccccc4,0.0
79736,CO-ADD:0306122,-11.54,N(CC1)(CCN1C)c(cc2)ccc2C(=O)c3ccc(cc3)F,0.0
79737,CO-ADD:0324619,-11.54,C(C(C)=O)(C1c2cccc(OC)c2)=C(O)C(N1c3ccc(cc3)OCC(O)=O)=O,0.0
79738,CO-ADD:0324084,-11.54,c12c(n(cn1)CCC\N=C(/CCCCC3)\N3C)C(NC(=O)N2C)=O.Cl,0.0
79739,CO-ADD:0323665,-11.54,C(NCCC(C1)(CC2CC1CC3C2)C3)(NC(CCc4ccccc4)=O)(C(F)(F)F)C(F)(F)F,0.0
79740,CO-ADD:0323761,-11.54,S(N)(=O)(=O)c1ccc(cc1)CNC(=O)NC2(c3ccccc3)CC2,0.0
79741,CO-ADD:0323754,-11.54,c1(C2OCCO2)c3c(n(c4ccccc4)n1)cc(cc3SCC(OC)=O)[N+](=O)[O-],0.0
79742,CO-ADD:0323137,-11.54,c1(C(O)=O)c(C)cc(nc1O)C,0.0
79743,CO-ADD:0300909,-11.55,[N+](=O)([O-])c1ccc(cc1NCCNC(=O)c2ccco2)Cl,0.0
79744,CO-ADD:0300925,-11.55,C12=C(N(C(=O)N1CC(=O)N3CCCCC3)C)C(N(C)C(=O)N2C)=O,0.0
79745,CO-ADD:0300470,-11.55,c12c(ccc3c1OC(=O)C=C3C)occ2Nc(cc4)ccc4O,0.0
79746,CO-ADD:0300998,-11.55,S(NCCOc1ccccc1)(=O)(=O)c2ccc(cc2)SC,0.0
79747,CO-ADD:0301022,-11.55,c1(C(CC)=NCC(=O)N2)c2ccc(Cl)c1,0.0
79748,CO-ADD:0300318,-11.56,N1(C(C)(C)C)C(=O)NC(\C(=C/c2ccc(Br)s2)\C1=O)=O,0.0
79749,CO-ADD:0304611,-11.56,c1(SCC(=O)NCc2ccccc2)sc(c3n1)ccc(Cl)c3,0.0
79750,CO-ADD:0304652,-11.56,n(c(N)cc(n1)N)c1SCC(N)=O,0.0
79751,CO-ADD:0304684,-11.56,N1(c2ccc(cc2)OC)C(=O)C(Cc3ccccc3)=C(N=C1SCC(=O)Nc(cc4)ccc4C)O,0.0
79752,CO-ADD:0304669,-11.56,N1(c2ccc(cc2)OC)CC(CC1=O)C(N)=O,0.0
79753,CO-ADD:0302561,-11.56,c1(cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl)C(O)=O,0.0
79754,CO-ADD:0303785,-11.56,c(C#N)(c(SCC(=O)Nc1cccc(cccc2)c12)nc(c3C#N)N)c3c4cccc(Cl)c4,0.0
79755,CO-ADD:0302538,-11.56,c12c(ccc(cccc3)c13)C(CC(=O)N2)c4ccc(c(F)c4)F,0.0
79756,CO-ADD:0304249,-11.56,C12(CC3CC(CC(C3)C1)C2)C(=O)Nc4ccc(cc4C)SC#N,0.0
79757,CO-ADD:0302517,-11.57,[n+]12c(c(ccc1)c3)c(OC2)cc3.[I-],0.0
79758,CO-ADD:0303825,-11.57,c1(c(NCCN)ccc(c1)[N+](=O)[O-])C(F)(F)F,0.0
79759,CO-ADD:0302751,-11.57,c12c(non1)nc(Nc3cccc(C)c3C)c(N\N=C/c(ccc4c(ccc(c5C(O)=O)Cl)c5)o4)n2,0.0
79760,CO-ADD:0303246,-11.57,c1(c2c(sc1NC(=O)c3cccc(C)c3)CCCCC2)C(=O)Nc4ccccc4OCC,0.0
79761,CO-ADD:0301506,-11.58,N1(\N=C\c2ccccc2F)C(\C=C\c(cc3)ccc3[N+](=O)[O-])=Nc(c4C1=O)cccc4,0.0
79762,CO-ADD:0301512,-11.58,c1(cc(Cl)ccc1NC(=O)c(cc2)ccc2[N+](=O)[O-])C(NN)=O,0.0
79763,CO-ADD:0303698,-11.58,S(=O)(=O)(c1ccc(cc1)Cl)Nc(cccc2c3nncn3C)c2,0.0
79764,CO-ADD:0302021,-11.58,C(/C1)(\c2c(c13)c(ccc2)ccc3)=C(/C=C(O4)c5ccc(cc5C)C)\C4=O,0.0
79765,CO-ADD:0311696,-11.58,C1(NC(CSCC(=O)Nc(cc2)ccc2OCCCC)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
79766,CO-ADD:0312014,-11.58,N(CC(COc1ccccc1)OC2c3c4c(cccc4)cc(cccc5)c35)(C(c6ccccc6)=O)O2,0.0
79767,CO-ADD:0306348,-11.59,N1(C2CCCCC2)C(=O)NC(\C(=C/c3cccc(O)c3)\C1=O)=O,0.0
79768,CO-ADD:0307321,-11.59,N(c1c(cccc1)NC(CC(C)(C)CC2=O)=C23)(C3c(cccc4[N+](=O)[O-])c4)C(=S)Nc(cc5)ccc5C(OCC)=O,0.0
79769,CO-ADD:0311245,-11.59,c1(NC(=O)c(ccc(c2Cl)Cl)c2)n(C)c3c(cccc3)n1,0.0
79770,CO-ADD:0306901,-11.59,C1(C2c(cc(OCC)c(c3[N+](=O)[O-])OC(=O)c4cccs4)c3)=C(c5c(cccc5)OC1=O)OC(N)=C2C#N,0.0
79771,CO-ADD:0311523,-11.59,C(C(OCCOCC)=O)(C1c2ccc(cc2)OC)=C(C)NC(CC(c3cccs3)CC4=O)=C14,0.0
79772,CO-ADD:0311787,-11.59,c1(N(CC2)CCO2)nc(OC)nc(Nc(cc3)ccc3OC(F)(Cl)F)n1,0.0
79773,CO-ADD:0306870,-11.59,N(CC1N2CCc(cccc3)c13)(C2c4ccc(cc4)OC)S(=O)(=O)c5ccc(cc5)C,0.0
79774,CO-ADD:0306815,-11.59,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(cc4OCC)cc(c4O)Cl,0.0
79775,CO-ADD:0307424,-11.59,c1(noc(COc2ccc(cc2Cl)Cl)n1)c3nonc3N.CC(=O)O,0.0
79776,CO-ADD:0311552,-11.59,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCCN(CC4)CCO4)c5cccc(OC)c5,0.0
79777,CO-ADD:0311050,-11.6,C(/c(cccc1)c1CC2(C)C)(=N\N=C(/c3ccccc3)\C(c4ccccc4)=O)\N2,0.0
79778,CO-ADD:0307186,-11.6,c1(c(CC(Cl)(Cl)Cl)c(n2CCC(O)=O)C)c2CC(C)(C)CC1=O,0.0
79779,CO-ADD:0311774,-11.6,C1(C(=O)NCc2ccccc2)=C(C)NC(=S)NC1c3ccc(cc3)F,0.0
79780,CO-ADD:0311441,-11.6,C(=N/c1cccc(F)c1)(/SC(C(=O)Nc(cc2)ccc2OCC)CC3=O)\N3CC,0.0
79781,CO-ADD:0311200,-11.61,C(/C#N)(=C/c(ccc1c2ccccc2)o1)\C(=O)Nc3cccc(Cl)c3,0.0
79782,CO-ADD:0323169,-11.61,c1(N2CCCCC2)nc(OC)nc(Cl)n1,0.0
79783,CO-ADD:0323122,-11.61,S(NCCC(C)C)(=O)(=O)c1ccc(c2c1cccn2)OC,0.0
79784,CO-ADD:0323202,-11.61,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCC(CC(CC3C4)CC45)(C5)C3,0.0
79785,CO-ADD:0323492,-11.62,N1C(=O)C=C(N=C1SCC(=O)Nc(ccc(c2Cl)Cl)c2)C,0.0
79786,CO-ADD:0301095,-11.62,N1(c2ccc(cc2)F)C(N(N=C1C(C)=O)c3ccccc3)c4c5c([nH]c4)cccc5,0.0
79787,CO-ADD:0300751,-11.62,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccc(C)o4,0.0
79788,CO-ADD:0300360,-11.62,n1(c(cc2)ccc2C(N)=O)nnnc1SCc3ccccc3C,0.0
79789,CO-ADD:0301113,-11.62,N1(c(cc2)ccc2N(C)C)C(c3cccc(OC)c3OCc4ccc(cc4Cl)Cl)N(N=C1C(C)=O)c5ccccc5,0.0
79790,CO-ADD:0304791,-11.62,[nH]1c(ccc(c2)C(=O)NCC(O)=O)c2c3c1CCCC3,0.0
79791,CO-ADD:0304728,-11.62,c1(OCc(cc2)ccc2F)c(OC)cc(cc1OC)C=O,0.0
79792,CO-ADD:0303819,-11.62,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(=O)c4cccc(F)c4,0.0
79793,CO-ADD:0303023,-11.62,s1c(C(O)=O)ccc1C(N)=O,0.0
79794,CO-ADD:0302857,-11.62,c(C(C)=O)(c(C)oc1C(=O)Nc(cc2)ccc2I)c1,0.0
79795,CO-ADD:0302384,-11.62,C(=C(C)NC(=C1C#N)SCC(=O)Nc2cccc(OCCCC)c2)(C(=O)Nc3ccccc3OC)C1c4ccccc4,0.0
79796,CO-ADD:0303165,-11.62,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C/c3cc(Br)ccc3OCCOc(cc4)ccc4C(C)(C)C)\C1=O)=O,0.0
79797,CO-ADD:0303137,-11.63,c1(NC(CSc2nc(C)cc(n2)C(F)(F)F)=O)sc(c3c1C(OCC)=O)CC(CC3)CC,0.0
79798,CO-ADD:0302131,-11.63,N1(Cc(cc2)ccc2Cl)C(=O)c(c3C1=O)ccc(c3)C4=Nc(c5C(=O)O4)cccc5,0.0
79799,CO-ADD:0302580,-11.63,n1nc(c2n1CNc3ccc(cc3Br)C)cccc2,0.0
79800,CO-ADD:0303799,-11.63,[n+]1(C(CI)CS2)c2c(c(C)nc1N)CC.[I-],0.0
79801,CO-ADD:0303754,-11.63,N1(c2cccc(C)c2)C(=O)\C(=C\c3ccc[nH]3)\C(NC1=S)=O,0.0
79802,CO-ADD:0301804,-11.64,c12c(ccc(cccc3)c13)C(CC(=O)N2)c(cc4OC)cc(c4OC(C)=O)OC,0.0
79803,CO-ADD:0303049,-11.64,c1(ccccc1NC(c2ccccc2)=O)C(NCC=C)=O,0.0
79804,CO-ADD:0312169,-11.64,S(=O)(=O)(c(cc1)ccc1S(c2ccccc2)(=O)=O)N(CC3)CCO3,0.0
79805,CO-ADD:0312158,-11.64,c1(C#N)c(SCC(NCCc2ccccc2)=O)nsc1SCC(NCCc3ccccc3)=O,0.0
79806,CO-ADD:0306053,-11.64,S(=O)(=O)(c(cc1)ccc1C(C)(C)C)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N4CCCCC4,0.0
79807,CO-ADD:0305645,-11.64,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)Nc(cc3)ccc3OCC)C2c(cc4)ccn4,0.0
79808,CO-ADD:0305771,-11.64,[N+]1(Cc(cc2)ccc2C(O)=O)=NO\C(=N/C(=O)Nc3ccccc3)\[CH-]1,0.0
79809,CO-ADD:0312325,-11.64,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(c5c4)OCCO5)c6cccc(OC)c6,0.0
79810,CO-ADD:0311343,-11.64,S(c1ccccc1)(=O)(=O)\N=C(\c2ccccc2)/N(CC3)CCO3,0.0
79811,CO-ADD:0312403,-11.64,C(C(OCCOC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccs4,0.0
79812,CO-ADD:0312384,-11.65,C(C(OCCOCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(Cl)c4Cl,0.0
79813,CO-ADD:0311159,-11.65,c1(NC(=O)c2c(Cl)ccc(c2)[N+](=O)[O-])sc(c3c1C#N)CCC3,0.0
79814,CO-ADD:0310850,-11.65,C1(C)(C(C)(C)OC2=O)N2CCc(cccc3)c13,0.0
79815,CO-ADD:0305962,-11.66,C(C(N)=O)(C12CCCCC1)=C(SC)NC(N)=C2C#N,0.0
79816,CO-ADD:0324870,-11.66,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c3ccccc3C(F)(F)F)\C2=N,0.0
79817,CO-ADD:0319036,-11.66,N1(CCC(=O)Nc2cccc(Br)c2)C(=O)c(c3C1=O)cccc3,0.0
79818,CO-ADD:0320125,-11.66,c1(c(Cl)c(C)cc(F)c1F)C(=O)N(CC2)CCN2c3cc(N4CCCCC4)c(cc3[N+](=O)[O-])F,0.0
79819,CO-ADD:0323418,-11.66,N1(CC(NCCc2ccccc2)=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
79820,CO-ADD:0319039,-11.67,N1(CCC(=O)Nc(cc2)ccc2NS(=O)(=O)c3ccc(cc3)C)C(=O)c4c(cccc4)C1=O,0.0
79821,CO-ADD:0320286,-11.67,c1(C(OC)=O)sc(c2c1NC(C)=O)cc(cc2SCC(C)C)[N+](=O)[O-],0.0
79822,CO-ADD:0323512,-11.67,C(=O)(c1ccc(cc1)COc2ccccc2Br)Nc(cccn3)c3,0.0
79823,CO-ADD:0321044,-11.67,c1(scc(c2ccc(cc2)OC)n1)N3CCCC3C(=O)OCc4ccccc4,0.0
79824,CO-ADD:0323959,-11.68,S(=O)(=O)(N(CC1)CCN1C23CC4CC(CC(C4)C2)C3)c5ccc(c(cccc6)c56)OCC,0.0
79825,CO-ADD:0304712,-11.68,c1(c2c(ccc(c2)OC(F)(F)F)ncc1C(OCC)=O)Nc3ccccc3C(O)=O,0.0
79826,CO-ADD:0300588,-11.68,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cccc(Cl)c5Cl)cccc4,0.0
79827,CO-ADD:0305037,-11.68,c1(NC(C)(C)CO)nc(OC)nc(OC)n1,0.0
79828,CO-ADD:0304534,-11.68,C(=C(C)NC(=C1C#N)SCC(=O)c(cc2)ccc2[N+](=O)[O-])(C(=O)Nc3ccccc3C)C1c4cccc(Cl)c4,0.0
79829,CO-ADD:0305079,-11.69,c1(sc2c3c(COC)cc(C)n2)c3N=NN(c4ccc(cc4)N=Nc5ccccc5)C1=O,0.0
79830,CO-ADD:0304781,-11.69,c1(cc(Cl)cc(Cl)c1NC(=O)c2cccc(C)c2)C(=O)Nc(cccc3C(F)(F)F)c3,0.0
79831,CO-ADD:0304623,-11.69,c(c1)(cc(cn1)Br)C(NCCOc2cccc(C)c2)=O,0.0
79832,CO-ADD:0303542,-11.69,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(c(Cl)c5)Cl)cccc4,0.0
79833,CO-ADD:0302771,-11.69,c12c(C(N(C)C(=O)N1C)=O)n(c(OC)n2)Cc(ccc(c3Cl)Cl)c3,0.0
79834,CO-ADD:0303067,-11.69,c1(c2ccccc2O)cn3c(ccc(Cl)c3)n1,0.0
79835,CO-ADD:0303292,-11.69,c1(cc(oc1C)C)C(=O)Nc2cccc(O)c2,0.0
79836,CO-ADD:0301236,-11.69,C(C(OCCc1ccccc1)=O)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4ccccc4F,0.0
79837,CO-ADD:0303943,-11.7,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cc(F)ccc5F)cccc4,0.0
79838,CO-ADD:0303257,-11.7,C(/C#N)(=C/Nc(cc1)ccc1F)\C(OCC)=O,0.0
79839,CO-ADD:0303250,-11.7,c1(c2c(sc1NC(=O)c3ccccc3C)CCCC2)C(=O)Nc4ccccc4OCC,0.0
79840,CO-ADD:0303233,-11.7,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cccn5)c5)cccc4,0.0
79841,CO-ADD:0304392,-11.7,n(c1C)(nnc1C(c2ccccc2)=O)c3nonc3N,0.0
79842,CO-ADD:0303213,-11.7,c1(NC(=O)CC2c3cc(Br)ccc3F)c2ccc(cccc4)c14,0.0
79843,CO-ADD:0301608,-11.7,N1(c2ccc(cc2)OC)C(=O)NC(\C(=C/c(c3c([nH]4)cccc3)c4)\C1=O)=O,0.0
79844,CO-ADD:0311168,-11.7,c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc(c3c1C(OC)=O)CCCC3,0.0
79845,CO-ADD:0312045,-11.7,N1(CCCCCC(=O)Nc2nnc[nH]2)C(=O)c(c3C1=O)cccc3,0.0
79846,CO-ADD:0311539,-11.71,c1(NC(CCC2)=N2)nnc(c3ccc(cc3)Cl)o1,0.0
79847,CO-ADD:0305464,-11.71,[N+](=O)([O-])c(cc(NC(=O)c1ccco1)c(c23)C=Cc(cccc4)c4O2)c3,0.0
79848,CO-ADD:0305456,-11.71,N1(c2ccccc2C)C(CSc3ncccn3)=Nc(c4C1=O)cccc4,0.0
79849,CO-ADD:0305440,-11.71,C(=C\c(cc1OCC)cc(c1O)I)(/C2=O)\C(=O)OC3(CCCC3)O2,0.0
79850,CO-ADD:0312602,-11.72,C1=C[C@]2(O[C@H]13)[C@]([C@]4(CN(C(C(F)(F)F)=O)C2)O[C@H]5C(C(F)(F)F)=C4C(F)(F)F)([C@@]35[H])[H],0.0
79851,CO-ADD:0312626,-11.72,s1cccc1CCN(C(=O)\C=C/C(=O)O)c2ccccc2,0.0
79852,CO-ADD:0305534,-11.72,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])NCCOc(cc4)ccc4Cl,0.0
79853,CO-ADD:0305840,-11.72,c1(NC(COc(cc2C)cc(c2Cl)C)=O)sc(c3c1C(OCC)=O)CCCC3,0.0
79854,CO-ADD:0312635,-11.73,c(cccc1\C=C\CN(C2)C(=O)C3C24OC(C3C(=O)O)C=C4)c1,0.0
79855,CO-ADD:0312627,-11.73,C(C1C2C(=O)N(c3ccc(F)cc3)C1)=C(C4C2C(=O)O)SC=C4,0.0
79856,CO-ADD:0318942,-11.73,N1(CC(=O)Nc2cccc(I)c2)C(=O)c3c(cccc3)C1=O,0.0
79857,CO-ADD:0320127,-11.73,n1(CC(=O)N(CCC)C2(CCCCC2)C(=O)Nc3ccccc3C)nnnc1N,0.0
79858,CO-ADD:0320310,-11.73,[nH]1c(C)c(c2c1c(C)ccc2F)CCNC(=O)c3ccc(c(OC)c3)OC,0.0
79859,CO-ADD:0321332,-11.73,C(C(OC)=O)(Sc1ccc(cc1OC)O)(C(F)(F)F)C(F)(F)F,0.0
79860,CO-ADD:0321384,-11.73,C(F)(F)(Cl)Oc(cc1)ccc1NC(NCCc2ccccc2)=S,0.0
79861,CO-ADD:0320728,-11.73,C(C(OC)=O)(Nc1ccccn1)(C(F)(F)F)NC(=O)c2ccccc2F,0.0
79862,CO-ADD:0323187,-11.73,C1(C(OCCOC)=O)=C(C)NC(NC1c2ccc(c(Br)c2)OC)=O,0.0
79863,CO-ADD:0323299,-11.73,C(C(OC)=O)(=CN(CCOC)C=C1C(OC)=O)C1c2cccs2,0.0
79864,CO-ADD:0323323,-11.73,N(c1c(cccc1)NC(CC(c2ccc(cc2)C)CC3=O)=C34)(C(=O)C(F)(F)F)C4c5cccc(Br)c5,0.0
79865,CO-ADD:0323347,-11.74,c1(Sc2nnc[nH]2)c(c3ccccc3)c4c(nc1O)cccc4,0.0
79866,CO-ADD:0323483,-11.74,n1(N)c(C)nnc1SCC(=O)Nc(cc2)ccc2Oc3ccccc3,0.0
79867,CO-ADD:0323547,-11.74,[N+](=O)([O-])c1cccc2c1cccc2NC(C3CCCCC3)=O,0.0
79868,CO-ADD:0305172,-11.74,C(C(OC)=O)(=CN(C)C=C1C(OC)=O)C1c2cccc(OC)c2,0.0
79869,CO-ADD:0300763,-11.74,c(c1)(c(N(C)C)ccc1C2N(CCCN2Cc3ccccc3)Cc4ccccc4)[N+](=O)[O-],0.0
79870,CO-ADD:0300804,-11.74,c1(NC(=O)c(ccc(c2Cl)Cl)c2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OC,0.0
79871,CO-ADD:0304895,-11.74,C(O1)(NC(=S)NC2=O)=C2C1c(c3)c(N(CC4)CCO4)cc(N(CC5)CCO5)c3[N+](=O)[O-],0.0
79872,CO-ADD:0304473,-11.75,c1(noc(c2ccc(cc2)Br)n1)c3nonc3N,0.0
79873,CO-ADD:0300710,-11.75,C(/CCc(c12)cccc1)(=C/c(cc3)ccc3N(C)c4ccccc4)\C2=O,0.0
79874,CO-ADD:0304807,-11.75,N(c1c2cccc1)=C(C)c3c(S2)cccc3,0.0
79875,CO-ADD:0304633,-11.75,N(C(c1ccccc1)=O)C(=S)NC(CC2(C)C)CC(N2)(C)C,0.0
79876,CO-ADD:0304179,-11.75,n1(c(c2ccccc2)c(nn1)C(=O)N\N=C\c3cccc(OC)c3OC(=O)c4ccco4)c5nonc5N,0.0
79877,CO-ADD:0303555,-11.75,C(C#N)(C(c1ccccc1)CC(N2)=O)=C2SCC(OC(C)C)=O,0.0
79878,CO-ADD:0304217,-11.76,C1(N(CC2C)CC(O2)C)=NC(\C(=C/c3cccc(O)c3)\S1)=O,0.0
79879,CO-ADD:0304138,-11.76,c1(OCC)cc(ccc1OCc2cccc(Cl)c2)C=O,0.0
79880,CO-ADD:0301712,-11.76,N1(c2cccc(C)c2)C(=O)NC(\C(=C\c3cc(Br)ccc3OCCOc(cc4)ccc4C)\C1=O)=O,0.0
79881,CO-ADD:0301634,-11.76,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5ccc(c(OC)c5)O)cccc4,0.0
79882,CO-ADD:0301501,-11.77,c1(N\N=C/c2sccc2C)nonc1N,0.0
79883,CO-ADD:0301593,-11.77,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cccc(Br)c5)cccc4,0.0
79884,CO-ADD:0301502,-11.77,S(=O)(=O)(Nc(cc1)ccc1Br)c2c(C)ccc(nsn3)c23,0.0
79885,CO-ADD:0301456,-11.77,C(C(OCC)=O)(=CN(c1cc(C)cc(C)c1)C=C2C(OCC)=O)C2c3cccc(F)c3,0.0
79886,CO-ADD:0303958,-11.77,c1(C(OC)c2cccs2)c3c([nH]c1C)cccc3,0.0
79887,CO-ADD:0303910,-11.77,C(C(OC)=O)(C1c2ccc(cc2)Cl)=C(C)N(C(C)=C1C(OC)=O)C,0.0
79888,CO-ADD:0307396,-11.77,c1(noc(COc2cccc(C)c2C)n1)c3nonc3N,0.0
79889,CO-ADD:0312090,-11.77,C(=N\c1ccccc1)(/c2c3ccc(c2)[N+](=O)[O-])\c(cc(C)cn4)c34,0.0
79890,CO-ADD:0306981,-11.77,C12(c3c(NC1=O)ccc(Br)c3)C4=C(CC(c5ccco5)CC4=O)OC(N)=C2C#N,0.0
79891,CO-ADD:0312225,-11.77,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)c3cccs3)C2c4cccc(F)c4,0.0
79892,CO-ADD:0307043,-11.78,c1(c(Br)cc(c(F)c1)N(CC2)CCO2)[N+](=O)[O-],0.0
79893,CO-ADD:0307381,-11.78,c1(C(O)=O)c(NC(C)=O)cn(C(C)=O)n1,0.0
79894,CO-ADD:0311676,-11.78,c1(c2ccccc2Cl)nnn(CC(=O)Nc3c(C)cc(cc3C)C)n1,0.0
79895,CO-ADD:0306710,-11.78,c1(c(cccn2)c2)cc(c3ccc(cc3)OCCC)nc(ccc(cccc4)c45)c15,0.0
79896,CO-ADD:0306748,-11.78,C(C(OC)=O)(=CN(Cc1cccs1)C=C2C(OC)=O)C2c3cccc(OC)c3OC,0.0
79897,CO-ADD:0312042,-11.79,C(=N/Nc1ccccc1)(/C(/N)=N\OC(C)=O)\[N+](=O)[O-],0.0
79898,CO-ADD:0312038,-11.79,N1(C(=O)CSc2sc(c3n2)ccc(Cl)c3)c4c(cccc4)Sc(ccc(c5)C(F)(F)F)c15,0.0
79899,CO-ADD:0307114,-11.79,c1(onc(c2nonc2N)n1)c3c(Cl)cnn3C,0.0
79900,CO-ADD:0324747,-11.79,n1c(N)n[nH]c1CC(=O)N(CC)C2(CCCCC2)C(=O)Nc3ccccc3,0.0
79901,CO-ADD:0324644,-11.79,C1(=Nc(cccc2)c2C(c3ccccc3)(c4ccccc4)N1)c5c(C)c(Cl)c(nc5Cl)C,0.0
79902,CO-ADD:0323573,-11.79,n1(c(C)cc(C)n1)c2cc(ccc2[N+](=O)[O-])N(CC3)CCN3C(=O)c4ccc(cc4)OC,0.0
79903,CO-ADD:0321346,-11.79,N1(N=C(S2)CCC)C2=NC(=O)\C(=C/c(ccc3c4cc(Cl)cc(Cl)c4)o3)\C1=N,0.0
79904,CO-ADD:0324749,-11.79,n1(CC(=O)N(c2ccc(cc2)C)C3(CCCCC3)C(=O)Nc(cc4)ccc4C)nnnc1N,0.0
79905,CO-ADD:0324797,-11.79,C1(=O)N(CCCC)c2c(Oc(cc(cc3Oc(cc4)ccc4Cl)[N+](=O)[O-])c13)cccc2,0.0
79906,CO-ADD:0300757,-11.79,C12=C(CCCC1=O)NN=C(c3ccccc3)CC2c(cc4)ccc4[N+](=O)[O-],0.0
79907,CO-ADD:0300606,-11.79,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c5cccc(cccc6)c56)cccc4,0.0
79908,CO-ADD:0300951,-11.8,N1(CN(CC2)CCO2)c3c(N(Cc4ccccc4)C1=S)cccc3,0.0
79909,CO-ADD:0301031,-11.81,N1(\N=C\c(ccc(c2OC)OCC)c2)C(=O)c3c(N=C1COc4ccccc4)cccc3,0.0
79910,CO-ADD:0304482,-11.81,c1(noc(c2ccccc2Cl)n1)c3nonc3N,0.0
79911,CO-ADD:0304946,-11.81,N1(c(ccc(c2s3)nc3SCC(=O)Nc4ccccc4C(OC)=O)c2)C(=O)c(c5C1=O)ccc(c5)[N+](=O)[O-],0.0
79912,CO-ADD:0305295,-11.81,C(=O)(NN1CCCCC1)C(O)(c2cccc(C)c2)c3cccc(C)c3,0.0
79913,CO-ADD:0304832,-11.82,N(CC(COc1ccccc1)OC2c3cccs3)(C(c4ccccc4)=O)O2,0.0
79914,CO-ADD:0304881,-11.82,[N+](=O)([O-])c1c(Cl)ccc(NN)c1.Cl,0.0
79915,CO-ADD:0304849,-11.82,c1(n2)c(C(N(C)C(=O)N1C)=O)n(c23)CC(=NN3Cc4ccccc4)c5ccccc5,0.0
79916,CO-ADD:0302698,-11.82,c1(C#N)c(c2ccc(cc2)OC)cc(nc1SCC(=O)N(CC3)CCO3)c4ccccc4,0.0
79917,CO-ADD:0301694,-11.82,N1=C(SCCOc2cccc(OC)c2)NC(C)=CC1=O,0.0
79918,CO-ADD:0304032,-11.82,C1(O)(C2CCCCCCC2=O)c3c(NC1=O)cccc3,0.0
79919,CO-ADD:0304245,-11.82,S(NCCCl)(=O)(=O)c1ccc(cc1)CCNC(C)=O,0.0
79920,CO-ADD:0304340,-11.82,n1c(c2ccc(cc2)NC(C(C)C)=O)csc1c3ccccc3,0.0
79921,CO-ADD:0303890,-11.82,C12=C(CC(C)(C)CC1=O)c3c(ccc4c3cccn4)NC2c5ccc(cc5)Cl,0.0
79922,CO-ADD:0304003,-11.82,C(C(OCC)=O)(=CN(c1ccc(cc1)OCC)C=C2C(OCC)=O)C2c(ccs3)c3,0.0
79923,CO-ADD:0301961,-11.82,c1(nnnn1CC(=O)N(CC2)CCO2)c3nonc3N,0.0
79925,CO-ADD:0301943,-11.83,N1(c2cccc(c2)[N+](=O)[O-])CC(CC1=O)C(=O)Nc3cccc(OC)c3,0.0
79926,CO-ADD:0301907,-11.83,c1(cc2c(cc1N)OCCO2)C(=O)c3ccccc3Cl,0.0
79927,CO-ADD:0302054,-11.83,C1(=NC(=O)NC2=O)C2=Cc3c(cccc3Cl)N1c4cc(C)cc(C)c4,0.0
79928,CO-ADD:0307654,-11.83,C(=O)(Nc(cc1)ccc1SCC)c(cc2OC)cc(c2OC)OC,0.0
79929,CO-ADD:0312097,-11.83,N(Cc1ccccc1)(C2(CCCCC2)C(=O)Nc3c(C)cccc3C)C(=O)c4cc[nH]n4,0.0
79930,CO-ADD:0310997,-11.83,c1(SCC(=O)c2ccc(cc2F)F)nc(C)cc(COC)c1C#N,0.0
79931,CO-ADD:0311206,-11.83,N1(c2ccccc2)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
79932,CO-ADD:0307267,-11.84,N1c(cccc2)c2C(OC1c(ccc(c3Cl)Cl)c3)(CC)CC,0.0
79933,CO-ADD:0311084,-11.84,C12(CC3CC(CC(C3)C1)C2)c(cc4)ccc4C(=O)NC(C(C)C)C(O)=O,0.0
79934,CO-ADD:0307612,-11.84,C(=O)(N(CC1)CCN1c2ccc(cc2F)C(CCC)=O)c3ccccc3Br,0.0
79935,CO-ADD:0311493,-11.84,C1(=NCC(C)(C)S1)N(c2ccc(cc2)OC(F)(Cl)F)C(=O)Nc3ccccc3,0.0
79936,CO-ADD:0311203,-11.84,S(=O)(=O)(c1ccc(cc1)C)N(CC(O)CN2CCCCC2)c3cccc(C)c3,0.0
79937,CO-ADD:0311066,-11.84,n1(c2c(C)cc(cc2C)C)nnnc1SCC(=O)Nc3c(C)cc(cc3C)C,0.0
79938,CO-ADD:0311711,-11.85,C(C#N)(=C(C)\C(=N/Nc1cccc(Cl)c1C)\C(N2CCO)=O)C2=O,0.0
79939,CO-ADD:0311024,-11.85,c1(c2N)c(ccc2C(=O)NC3CCCCC3)C(=O)c(c4C1=O)cccc4,0.0
79940,CO-ADD:0323958,-11.85,S(=O)(=O)(NCC(C1)(CC(C2)CC3CC12)C3)c4ccc(c(cccc5)c45)OCC,0.0
79941,CO-ADD:0321508,-11.85,C1(=O)Oc(c(cc(c2OC(OCCCC)=O)Br)S1)c2,0.0
79942,CO-ADD:0321239,-11.85,C(C(NCCC(C1)(C2)CC(C3)CC1CC23)=O)(C(F)(F)F)C(F)(F)F,0.0
79943,CO-ADD:0321263,-11.85,[N+](=O)([O-])c(cc(SCCO)cc1NC(=O)c2ccc(cc2F)F)c1,0.0
79944,CO-ADD:0321337,-11.86,N12C(SC(C(C)C)=N1)=NC(=O)\C(=C/c(cc3)cc(c3OC(=O)c(cccc4[N+](=O)[O-])c4)OCC)\C2=N,0.0
79945,CO-ADD:0300839,-11.86,N1(Nc2ccccc2)C(=O)\C(\N=C1c3ccccc3)=C/c(cccc4[N+](=O)[O-])c4,0.0
79946,CO-ADD:0300711,-11.86,c12c(c3c(cccc3)[nH]1)nnc(N\N=C\c(cc4)ccn4)n2,0.0
79947,CO-ADD:0300968,-11.86,n1c(N)snc1SC,0.0
79948,CO-ADD:0301184,-11.86,N1(C2c(cc3)ccc3C(C)C)C(S\C(=C/c(cc4OCC)cc(c4O)Cl)\C1=O)=NC(C)=C2C(OC)=O,0.0
79949,CO-ADD:0300712,-11.87,C12=C(CCCC1=O)Oc(c3C2C4=C(CCCC4=O)O)cccc3,0.0
79950,CO-ADD:0301153,-11.87,N1(C(=O)c2ccc(cc2)C)N=C(CC1(O)C(F)(F)F)CCCCCC,0.0
79951,CO-ADD:0300963,-11.87,S(N)(=O)(=O)c(c(Cl)cc(c1C(OCCNC(c2ccccc2)=O)=O)Cl)c1,0.0
79952,CO-ADD:0304023,-11.87,c1(N(CC2)CCO2)nsnc1OCC(=O)Nc3scc(c4ccccc4)n3,0.0
79953,CO-ADD:0303095,-11.87,C12(CC3CC(CC(C3)C1)C2)c4ccc(cc4)CN(CC5)CCO5,0.0
79954,CO-ADD:0304318,-11.87,c1(C#N)c(cccc2)c2n(C)c1CNc3ccc(cc3[N+](=O)[O-])Cl,0.0
79955,CO-ADD:0304046,-11.87,C(C(=O)c1ccc(cc1)OC)(C2c3ccc(cc3)F)=C(O)C(N2CCc4ccccc4)=O,0.0
79956,CO-ADD:0303984,-11.87,N1(c2ccc(cc2)OCC)CC(CC1=O)C(=O)NCc3ccccc3C,0.0
79957,CO-ADD:0304017,-11.88,C1(C(=O)OC(C)C)=C(C)NC(=O)NC1c(cc2)ccc2C(F)(F)F,0.0
79958,CO-ADD:0304108,-11.88,c12c(c3c(cccc3)OC1=O)nc(c(ccc(c45)OCO4)c5)nc2NC(CC)=O,0.0
79959,CO-ADD:0303064,-11.88,c12c(c(c(C)nc1N)C)C(NC2=O)=O,0.0
79960,CO-ADD:0303220,-11.88,c1(NC(Cc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc(c(Cl)ccc3C(F)(F)F)c3,0.0
79961,CO-ADD:0302039,-11.88,N(C(=O)\C(\S1)=C/c(cc2)ccc2C)=C1N3CCC(CC3)C(OCC)=O,0.0
79962,CO-ADD:0301541,-11.88,[C@]12([H])[C@]([H])(C(C)NC(=O)N1C)C(c(cc3)ccc3[N+](=O)[O-])N(C(=O)N2)C.O,0.0
79963,CO-ADD:0304082,-11.88,N1(c2cccc(cccc3)c23)C(=O)c4c(NC1=S)cccc4,0.0
79964,CO-ADD:0305921,-11.88,n1(CCN(C)C)c2c(cc1C(OCC)=O)cccc2.Cl,0.0
79965,CO-ADD:0312015,-11.88,n1(c(ccc2C(F)(F)F)nnc1c3ccc(cc3)OCc4ccccc4F)c2,0.0
79966,CO-ADD:0306325,-11.88,c1(cc(F)c(cc1N(CC2)CCN2C(=O)c3ccc(cc3)F)N4CCCC4)[N+](=O)[O-],0.0
79967,CO-ADD:0306317,-11.88,N(C(=O)CSC1=NCCN1)(C2)C(C)(C)O[C@]23CCC(C(C45)CC[C@@]([H])(CCCC6)[C@@]46C)[C@]3(C)CC5.Cl,0.0
79968,CO-ADD:0305914,-11.89,c1(NC(COc(cc2)ccc2I)=O)sc(c3c1C(N)=O)CCCC3,0.0
79969,CO-ADD:0312129,-11.89,C(Nc(cc1)ccc1OC(F)(Cl)F)(C(OCC)=O)(NC(CCCC)=O)C(F)(F)F,0.0
79970,CO-ADD:0311410,-11.89,S(=O)(=O)(Oc1c(Cl)cc(c(cccn2)c12)Cl)c3ccc(cc3OC)OC,0.0
79971,CO-ADD:0311417,-11.89,C123C(CCCC1)C(c4c(cccc4)O2)C(C(=O)N3)C(OCC)=O,0.0
79972,CO-ADD:0312044,-11.89,c1(nnc[nH]1)NC(COc2ccccc2)=O,0.0
79973,CO-ADD:0305895,-11.89,c1(ccc(Br)o1)C(=O)Nc(ccc(c23)CCC2)c3,0.0
79974,CO-ADD:0306347,-11.9,N1(Cc2cccc(cccc3)c23)c(cccc4)c4\C(=C(/C#N)\c5[nH]c(c6n5)cccc6)\C1=O,0.0
79975,CO-ADD:0306006,-11.9,C(=C\c1ccc(C)s1)(/C(C)=NN2c(cc3)ccc3C(=O)OC(C)C)\C2=O,0.0
79976,CO-ADD:0319672,-11.9,N(c1c(cccc1)NC(CC(c2ccc(cc2)C)CC3=O)=C34)(C(=O)c(cc5OC)cc(c5OC)OC)C4c(cc6)ccc6C(OC)=O,0.0
79977,CO-ADD:0320688,-11.91,C1(C2c3ccc(c(OCC)c3)OCc4ccccc4)=C(CC(C)(C)CC1=O)N(C(CC(C)(C)CC5=O)=C25)Cc6ccccc6,0.0
79978,CO-ADD:0319801,-11.91,c1(NC(COc2ccccc2C)=O)sc(c3c1C(OCC)=O)CC(CC3)C,0.0
79979,CO-ADD:0324742,-11.91,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(Cl)s5)cccc4,0.0
79980,CO-ADD:0324806,-11.91,S(=O)(=O)(c(cc1)ccc1S(=O)(=O)NCC(C2)(C3)CC(CC3CC24)C4)N(CC5)CCO5,0.0
79981,CO-ADD:0324078,-11.91,c1(N(CC2)CCO2)nc(Cl)nc(NCCC3=CCCCC3)n1,0.0
79982,CO-ADD:0323651,-11.92,C(=N\c(cc1)ccc1c2nnc(CCCCC3)n23)(/SC=C4c5ccc(cc5)F)\N4CC=C,0.0
79983,CO-ADD:0323628,-11.92,C(C(=O)c1cccs1)(C2c3ccccc3)=C(O)C(N2c4ccccc4)=O,0.0
79984,CO-ADD:0323693,-11.92,S(=O)(=O)(N(CC1)CCO1)c2ccc(c3c2cccn3)OC,0.0
79985,CO-ADD:0304630,-11.92,c1(C(NCCOc(cc2)ccc2C(C)(C)C)=O)n[nH]cn1,0.0
79986,CO-ADD:0304670,-11.93,N1(c2ccc(cc2)OC)CC(CC1=O)C(NCCOC)=O,0.0
79987,CO-ADD:0304722,-11.93,o1c(SCc(cc2)ccn2)nnc1c3ccc(cc3)N=C=S,0.0
79988,CO-ADD:0300402,-11.93,c1(C(=O)Nc2ccccc2OC)c(C)c(sc1\N=C/c(ccc(c34)OCO3)c4)c5ccccc5,0.0
79989,CO-ADD:0304616,-11.93,c1(c(C)n[nH]c1O)N=Nc2ccccc2OC,0.0
79990,CO-ADD:0303124,-11.93,C(C(F)(F)F)(C(F)(F)F)(NC(C(C)C)=O)Nc1sc(c2c1C#N)CCCCC2,0.0
79991,CO-ADD:0301884,-11.93,C1(=O)OC(\C=C\c(cc2)ccc2[N+](=O)[O-])=Nc(cc3C(=O)OC(C)=O)c1cc3,0.0
79992,CO-ADD:0303735,-11.93,n1nc([nH]n1)Cc(cc2)ccc2Cl,0.0
79993,CO-ADD:0301883,-11.94,c1(NC(=O)c2ccccc2F)n(c3ccccc3)ncc1C(=O)N4CCC(CC4)Cc5ccccc5,0.0
79994,CO-ADD:0301389,-11.94,C(C(=O)c1ccc(cc1)Cl)(C2c3cccc(F)c3)=C(O)C(N2CCO)=O,0.0
79995,CO-ADD:0302165,-11.94,C1(=COc(c2C1=O)cccc2)C3Nc4c(NC(CC(c5ccc(c(OC)c5)OC)CC6=O)=C36)cccc4,0.0
79996,CO-ADD:0301850,-11.95,C1(=COc(c2C1=O)ccc(Cl)c2)C3C4=C(CCCC4=O)NC(C)=C3C(OCC)=O,0.0
79997,CO-ADD:0301950,-11.95,N1(CN(CC2)CCN2C(c3ccccc3)c4ccccc4)c(cccc5)c5\C(=N\NC(=O)c6ccc(cc6)C)\C1=O,0.0
79998,CO-ADD:0303174,-11.95,C(/c1c(N2)cccc1)(=N/Nc3c(Cl)cc(cc3Cl)Cl)\C2=O,0.0
79999,CO-ADD:0303812,-11.95,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(C)=O,0.0
80000,CO-ADD:0303027,-11.96,N1(CCc2n[nH]c(S)n2)C(=O)c3c(cccc3)C1=O,0.0
80001,CO-ADD:0311891,-11.96,C12(CC(CC3C1)CC(C3)C2)c4n[nH]c(O)c4,0.0
80002,CO-ADD:0306010,-11.96,N1(C)C(=O)\C(\SC1=S)=C\c2sccc2C,0.0
80003,CO-ADD:0305916,-11.97,c1(NC(=O)C(c2ccccc2)c3ccccc3)sc(c4c1C(N)=O)CCCC4,0.0
80004,CO-ADD:0311996,-11.97,C(C1)(C2)(CC(C3)CC1CC23)C#CCN(CC4)CCO4,0.0
80005,CO-ADD:0312405,-11.97,N1(C(=O)c2ccc(cc2)OC)C(=S)N=C3N1c4c(S3)cccc4,0.0
80006,CO-ADD:0305871,-11.97,c1(NC(COc2ccc(cc2C)Cl)=O)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
80007,CO-ADD:0312566,-11.97,C1=C[C@@]2([C@]([C@@]3(O[C@H]4C(C(=O)N5c6ccccc6)C3C5=O)CN(C(OC)=O)C2)([C@]47[H])[H])O[C@H]17,0.0
80008,CO-ADD:0312574,-11.97,C1=C[C@]2(O[C@H]13)[C@]([C@@]34[H])([H])[C@@]5(O[C@H]4C6C5C(N(C6=O)C)=O)CSC2,0.0
80009,CO-ADD:0312487,-11.97,[C@H]12O[C@]3([C@@H]([C@H]1C(=O)OCC)C(=O)N(c4ccccc4)C3)[C@@H]([2H])[C@H]2[2H],0.0
80010,CO-ADD:0312590,-11.97,C1=C[C@@]2([C@]([C@]3(CN(C2)C(C(Cl)(Cl)Cl)=O)O[C@H]4C=C3)([C@]45C(OC)=O)C(OC)=O)O[C@H]15,0.0
80011,CO-ADD:0312470,-11.98,[C@@]1(O[C@@](CN2c3ccccc3)(C=C1)[C@@H]4C2=O)(C4)[2H],0.0
80012,CO-ADD:0305639,-11.98,C(C(=O)Nc1ccccc1)(=C(C)NC(=C2C#N)SCC(=O)c3ccc(cc3)C)C2c4ccccc4OCC,0.0
80013,CO-ADD:0320618,-11.98,c1(C2c3ccc(cc3)Cl)c([nH]nc1c4ccc(cc4OCC)OCC)OC(N)=C2C#N,0.0
80014,CO-ADD:0320106,-11.98,C(/CBr)(\c1ccccc1)=N/O,0.0
80015,CO-ADD:0319667,-11.98,C1(=C(CC(c2ccc(cc2)C)CC1=O)Nc(c3N4C(C)=O)cccc3)C4c5ccco5,0.0
80016,CO-ADD:0323526,-11.98,c1(NC(=O)c2cccc(Br)c2)sc(c(C)c1C(OCC)=O)C(C)=O,0.0
80017,CO-ADD:0320247,-11.98,S(=O)(=O)(c1ccc(c2c1cccn2)OC)n(ccn3)c3,0.0
80018,CO-ADD:0327306,-11.98,N(C(=O)\C(\S1)=C\c(cc2)ccc2Cl)=C1N(CC3)CCN3C(c4ccccc4)c5ccccc5,0.0
80019,CO-ADD:0326626,-11.98,[N+](=O)([O-])c(cc(Oc(cc1)ccc1C)c(c23)C=Cc(cccc4)c4O2)c3,0.0
80020,CO-ADD:0326642,-11.98,C1(=CC=CN(CC(=O)N(c2ccc(cc2)OC)C3(CCCCC3)C(=O)Nc4c(C)cccc4C)C1=O)[N+](=O)[O-],0.0
80021,CO-ADD:0326733,-11.99,c1(n(C)cn2)c2C(NC(N)=N1)=O,0.0
80022,CO-ADD:0328576,-11.99,C1(C(F)(F)F)(C(F)(F)F)N=C(c2cccc(F)c2)NC3=C1C(=O)NC(N3CCc(c4c([nH]5)cccc4)c5C)=O,0.0
80023,CO-ADD:0330832,-11.99,c1(C(=O)NCc2ccccc2)c(C)c(Cl)c(nc1Oc(cc3)ccc3F)C,0.0
80024,CO-ADD:0330872,-11.99,c(c(CCCC1)c(c2C(=S)Nc3cccc(C)c3C)c4ccc(cc4)OC)(n15)n2cc5c6ccccc6,0.0
80025,CO-ADD:0330984,-11.99,C(/C1(C)C)(\C(=O)C(O1)(C)C)=C/c2ccccc2[N+](=O)[O-],0.0
80026,CO-ADD:0330992,-12.0,n1(c(CCC(O)=O)ccc1c2ccc(cc2)C)c3ccccc3C(F)(F)F,0.0
80027,CO-ADD:0331417,-12.0,n1(c2ccc(cc2)OC(F)(F)F)nnnc1SCC(=O)Nc(cc3)ccc3OC(F)(F)F,0.0
80028,CO-ADD:0331426,-12.01,c1(C(OCC)=O)c(N)oc(c(c2c3oc(c2C(OCC)=O)N)Br)c1c3Br,0.0
80029,CO-ADD:0330978,-12.01,c1(scc(OCCO2)c12)C(=O)Nc3ccccc3OCCCC,0.0
80030,CO-ADD:0331323,-12.01,C1(C(F)(F)F)(NC(=O)c2cccc(OC)c2)C(=O)N(C(=O)N1)C,0.0
80031,CO-ADD:0328344,-12.01,c1(cc(OC)ccc1OC)C(=O)c(cc2)ccc2C(=O)Nc(ccc(c3C)Br)c3,0.0
80032,CO-ADD:0329431,-12.02,C1(=Cc2c(OC1=O)ccc(OC)c2)C(=O)N(CC3)CCN3c4cc(C)ccc4C,0.0
80033,CO-ADD:0331473,-12.02,c1([N+](=O)[O-])nn(c(C)n1)C2(CC3CC(CC4(C3)Cl)C2)C4,0.0
80034,CO-ADD:0330873,-12.02,n1(cnn2)c2SCC(c(ccc(c34)OCCO3)c4)=N1,0.0
80035,CO-ADD:0331951,-12.02,S(=O)(=O)(Nc(cc1)ccc1OCC(O)=O)c2c(C)ccc(OC)c2,0.0
80036,CO-ADD:0332048,-12.02,n12c(nc(cc1C(Cl)(F)F)c3cccs3)cc(C(=O)OCC4CCCN5C4CCCC5)n2,0.0
80037,CO-ADD:0332091,-12.02,C1(=Cc(cc(Br)cc2OC)c2OC1=O)C(=O)N(CC3)CCN3c4cc(C)ccc4C,0.0
80038,CO-ADD:0331395,-12.03,c(c1CCCC2)(n3cc1c4ccc(c(OC)c4)OC)n2c(n3)c5ccc(cc5)OC,0.0
80039,CO-ADD:0330833,-12.03,c(C(=O)N(CC)CC)(c1C)c(Cl)nc(C)c1[N+](=O)[O-],0.0
80040,CO-ADD:0330865,-12.03,c1(CN(c2cccc(C)c2C)C(=O)Nc(cc3)ccc3Cl)nnc(CCCCC4)n14,0.0
80041,CO-ADD:0332473,-12.03,N1(C(C)C(=O)C(=[N+]=[N-])C(=O)\C=C(/O)\c2ccccc2)C(=O)c(c3C1=O)cccc3,0.0
80042,CO-ADD:0330809,-12.03,C12=C(C=C(C)NC1=S)\C(\OC2=O)=C\c(c(C)[nH]c3C#N)c3C,0.0
80043,CO-ADD:0331284,-12.03,N(C(=O)OC[C@@H]1CCCN2[C@]1([H])CCCC2)C(=O)c3cccc(F)c3,0.0
80044,CO-ADD:0332314,-12.03,c1(cnc(CCC2)n12)c(cc(C(C)(C)C)c(c3C(C)(C)C)O)c3.Cl,0.0
80045,CO-ADD:0331150,-12.03,c1(\C=C\c(cc2)ccc2Cl)n(CCOc3ccccc3)c4c(cccc4)n1,0.0
80046,CO-ADD:0331594,-12.03,c1(c(C)noc1N)C(=O)Nc(cc2)ccc2OC(Cl)(F)F,0.0
80047,CO-ADD:0331226,-12.03,c1(nc(c2[nH]1)cccn2)S(=O)(=O)Cc3ccccc3F,0.0
80048,CO-ADD:0331603,-12.03,c1(nc(C)c(n2)C)n2c(c(c3ccccc3)n1)CC,0.0
80049,CO-ADD:0328055,-12.03,C(/N1)(=C/C(=O)C(C)(C)C)\C(\NCC1)=C\C(=O)C(C)(C)C,0.0
80050,CO-ADD:0327398,-12.03,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(NCCCN(CC4)CCO4)=O)n2,0.0
80051,CO-ADD:0329134,-12.03,C(=O)(c(cc1)ccc1C(OC)=O)Nc(cc2)ccc2CC#N,0.0
80052,CO-ADD:0328286,-12.03,S(NCCc(c1c([nH]2)ccc(OC)c1)c2C)(=O)(=O)c3c(Cl)ccc(Cl)c3,0.0
80053,CO-ADD:0327887,-12.04,n1(C(=O)c2ccc(cc2)Cl)c3c(c(CC(=O)Nc4ccccn4)c1C)cc(OC)cc3,0.0
80054,CO-ADD:0332553,-12.04,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c(cc3)cc(c3[N+](=O)[O-])N(CC4)CCN4c5ccc(cc5)OC,0.0
80055,CO-ADD:0332250,-12.04,c(c1c2ccc(cc2)OC)(C3=O)c(cn1c4c(NC)ccc(c4)[N+](=O)[O-])N(C(=O)N3C)C,0.0
80056,CO-ADD:0332571,-12.04,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4ccco4,0.0
80057,CO-ADD:0332185,-12.04,C(C(=O)c1ccc(cc1)Br)(C2c3ccc(cc3)Cl)=C(O)C(N2CCCC(O)=O)=O,0.0
80058,CO-ADD:0332151,-12.05,c(c1c2ccccc2)(C3=O)c(cn1CC)N(C(=O)N3C)C,0.0
80059,CO-ADD:0330903,-12.05,[nH](c(ccc(c1)OC)c1c2CCNCc(cccc3C(OC)=O)c3)c2C,0.0
80060,CO-ADD:0331575,-12.05,c([N+](=O)[O-])(n1)c(Br)c(n1C(C)C(=O)NC(C)(CC)C#C)C,0.0
80061,CO-ADD:0332248,-12.05,c1(SSc2c(c3ccc(cc3)Cl)nc(N)s2)c(c4ccc(cc4)Cl)nc(N)s1,0.0
80062,CO-ADD:0332125,-12.05,C(C(OC)=O)(c(cc1OC)cc(c1O)OC)(C(F)(F)F)N2CCNC(C)C2,0.0
80063,CO-ADD:0332558,-12.06,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3c4ccc(cc4C(F)(F)F)[N+](=O)[O-],0.0
80064,CO-ADD:0329649,-12.06,S1(=O)(=O)c2c(c3N1CC(=O)Nc(ccc(c4Cl)C)c4)c(ccc2)ccc3,0.0
80065,CO-ADD:0326865,-12.06,C1(C(=O)NC(CC2(C)C)CC(N2)(C)C)=Cc(cccc3OC)c3OC1=O.Cl,0.0
80066,CO-ADD:0329573,-12.07,S(=O)(=O)(NC(c(cccc1[N+](=O)[O-])c1)CC(OCC)=O)c2c(Cl)cc(c(Cl)c2)OC,0.0
80067,CO-ADD:0329976,-12.07,N1(c2cccc(cccc3)c23)C(=S)NN=C1c4cccs4,0.0
80068,CO-ADD:0329320,-12.08,c12c(ccc(cccc3)c13)c(c[nH]2)CC(C)N.Cl,0.0
80069,CO-ADD:0332072,-12.08,C1(=Cc2c(OC1=O)cccc2)C(=O)NC(c(cccc3[N+](=O)[O-])c3)CC(OCC)=O,0.0
80070,CO-ADD:0331032,-12.08,C(=C1C)(SC(F)(F)C(F)C(F)(F)F)C(=O)c(c2N1)cccc2OC,0.0
80071,CO-ADD:0331704,-12.08,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)Cl)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)F)=O,0.0
80072,CO-ADD:0331167,-12.08,c1(c2ccccc2C(O)=O)[nH]c(c3n1)cccc3,0.0
80073,CO-ADD:0332446,-12.08,c1(cc(ccc1N(CC2)CCO2)C(=O)c3ccc(c(Cl)c3)Cl)[N+](=O)[O-],0.0
80074,CO-ADD:0332502,-12.08,C(=O)(Nc(cc1)ccc1NC(=O)c2ccc(cc2)F)c(cc3OC)cc(c3OC)OC,0.0
80075,CO-ADD:0331894,-12.09,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3c(C)ccc(c3)[N+](=O)[O-],0.0
80076,CO-ADD:0329264,-12.09,C1(C2=O)C(C(NC1(C)C(O)=O)c3ccc(cc3O)OC)C(N2c4ccc(cc4)OC)=O,0.0
80077,CO-ADD:0329776,-12.09,c12c(cc(OCO3)c3c1)NC(CC2c4cccc(Cl)c4Cl)=O,0.0
80078,CO-ADD:0328361,-12.09,c(c(C)n1)(c2C)c(c(n1)C)c(n2c3cccc(OC)c3)C,0.0
80079,CO-ADD:0328265,-12.1,N1(N=C(S2)C)C2=NC(=O)\C(=C\c(cc3)ccc3OCCOc(cc4)ccc4OC)\C1=N,0.0
80080,CO-ADD:0328730,-12.1,S(=O)(=O)(NC(C)(C)C#C)c1cccc(nsn2)c12,0.0
80081,CO-ADD:0328334,-12.1,N(c1cccc(Cl)c1)(C(=O)C(C23)C(c4cc(Br)ccc4O)NC2(CCSC)C(O)=O)C3=O,0.0
80082,CO-ADD:0332484,-12.1,N1(c2ccc(cc2)O)C(=O)c3c(NC1c4ccccc4Cl)cccc3,0.0
80083,CO-ADD:0332516,-12.1,C(=O)(c(ccc(c1Cl)Cl)c1)Nc2c(CCC)cc(c3c2)OCO3,0.0
80084,CO-ADD:0332583,-12.11,[N+](=O)([O-])c1ccc(cc1NCc2ccccc2)N(CC3)CCN3C(=O)c(cc4)ccc4C(C)(C)C,0.0
80085,CO-ADD:0331567,-12.11,n1c(N2CCCCC2)nc(nc1N3CCCCC3)NC(c4ccc(cc4)C)CC(O)=O,0.0
80086,CO-ADD:0331512,-12.11,S(=O)(=O)(CC(C1OC(=O)Nc2ccccc2)N(CC3)CCO3)C1,0.0
80087,CO-ADD:0331552,-12.12,c1(c(N)on2)c2CC(C)(C)N(O)C1(C)C.Cl,0.0
80088,CO-ADD:0331902,-12.12,[N+](=O)([O-])c(c(C)ccc1C(=O)N(CC2)CCN2c3cccc(C)c3C)c1,0.0
80089,CO-ADD:0332047,-12.12,C(C(=O)OCC(c1ccccc1)=O)C(c2ccc(cc2)OC)NC(Cc3ccccc3)=O,0.0
80090,CO-ADD:0332623,-12.12,C(C(OC)=O)(=CN(CC(OC)=O)C=C1C(OC)=O)C1c(cc2OC)cc(c2O)Br,0.0
80091,CO-ADD:0331012,-12.12,C1(Nc(cc2)ccc2Oc3ccccc3)=C(c4ccccc4)c5c(ccc(Cl)c5)NC1=O,0.0
80092,CO-ADD:0331044,-12.12,C(C(=O)N(CC1)CCO1)(C2=O)=C(c3c(cccc3)CC45CCCC4)N5C2=O,0.0
80093,CO-ADD:0328567,-12.12,C(=O)(Nc(cc1)ccc1CC#N)c2ccco2,0.0
80094,CO-ADD:0328223,-12.12,c1(c(C)c(cc(C(C)C)c1O)NS(=O)(=O)c(cccc2[N+](=O)[O-])c2)S(c3ccccc3)(=O)=O,0.0
80095,CO-ADD:0329183,-12.12,[N+](=O)([O-])c1ccccc1C(=O)Nc(cc2)ccc2CC#N,0.0
80096,CO-ADD:0328232,-12.13,S(=O)(=O)(c1ccc(cc1)OC)c2c(O)c(C)cc(NS(=O)(=O)c3ccc(cc3)Cl)c2C(C)C,0.0
80097,CO-ADD:0327801,-12.13,c1(O)c(CN(C)C)c(Oc(c(CNCCCC)c(O)c(C\C=C(/C)\C)c2O)c2C3=O)c3c(C\C=C(/C)\C)c1OC,0.0
80098,CO-ADD:0331789,-12.13,C(C(OCC)=O)(=CN(c1cc(C)ccc1C)C=C2C(OCC)=O)C2c3ccc(c(OC)c3)OCCC,0.0
80099,CO-ADD:0332206,-12.13,C1(C(OCCC)=O)=C(C)NC(NC1c2ccc(c(Br)c2)OC)=O,0.0
80100,CO-ADD:0331690,-12.13,[N+](=O)([O-])c1ccc(cc1OC(=O)C(C(F)(F)F)C(F)(F)F)Oc(c(Cl)ccc2C(F)(F)F)c2,0.0
80101,CO-ADD:0331019,-12.13,C1(C(F)(F)F)(NC(=O)c2cccc(Cl)c2)C(=O)NC3=C1C(=O)NC(N3c4ccc(cc4)C)=O,0.0
80102,CO-ADD:0331021,-12.13,C1(C(F)(F)F)(C(F)(F)F)N=C(C)NC2=C1C(=O)NC(N2c3ccccc3)=O,0.0
80103,CO-ADD:0332133,-12.13,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3ccc(c(cccc4)c34)Cl,0.0
80104,CO-ADD:0327849,-12.14,c(C(OCC)=O)(c(cc(O)c(c12)cccc1)c2n3CCOc4ccccc4C)c3C,0.0
80105,CO-ADD:0327633,-12.14,S(=O)(=O)(N(CC1)CCN1Cc(ccc(c23)OCO2)c3)c4c(C)ccc(nsn5)c45,0.0
80106,CO-ADD:0327802,-12.14,c1(O)cc(Oc(cc(O)c(C\C=C(/C)\C)c2O)c2C3=O)c3c(C\C=C(/C)\C)c1O,0.0
80107,CO-ADD:0326227,-12.14,[nH]1c(cccc2)c2c(CCNC(=O)\C(=C\c(cc3)ccc3Cl)\NC(c4ccccc4)=O)c1C,0.0
80108,CO-ADD:0332167,-12.15,C(Cc(cc1)ccc1Cl)(=O)NC(C)(CC)C#C,0.0
80109,CO-ADD:0332175,-12.15,C(C(c1ccccc1)=O)(C2c3ccc(cc3)CC)=C(O)C(N2c4cccc(OCCCCCC)c4)=O,0.0
80110,CO-ADD:0331027,-12.15,C1(C(F)(F)F)(NC(c(cc2)ccn2)=O)C(=O)N(C(=O)N1)c3ccc(cc3)OC,0.0
80111,CO-ADD:0331480,-12.15,N1C(C)(C)CC(c2c1ccc(c2)OC(=O)c3ccco3)C,0.0
80112,CO-ADD:0331672,-12.15,C1(NCCNC1=O)(C(F)(F)F)c2c3c([nH]c2)cccc3,0.0
80113,CO-ADD:0332419,-12.15,C1(C(F)(F)F)(C(F)(F)F)N=C(C=CC(=C2)Cl)N2C(c3ccccc3C)=N1,0.0
80114,CO-ADD:0331492,-12.15,C1(NC(C)=O)(C(F)(F)F)C(=O)N(C(=O)N1)c2ccc(cc2)F,0.0
80115,CO-ADD:0329544,-12.15,N1(C(C)C)C(=O)C2C(C(CC23)C4C3N=NN4c(cc5)ccc5[N+](=O)[O-])C1=O,0.0
80116,CO-ADD:0329729,-12.15,N(C(Nc1c(C)ccc(Cl)c1)=NN=C2C(C)(C)C)C2=O,0.0
80117,CO-ADD:0327394,-12.16,n12c(nc(cc1C(F)(F)Cl)c3ccco3)cc(C(N)=O)n2,0.0
80118,CO-ADD:0327731,-12.16,n12c(SCC(c3ccc(cc3)OC)=N1)nnc2C(F)(F)F,0.0
80119,CO-ADD:0327379,-12.16,C12=C(CC(c3ccccc3Cl)CC1=O)Nc(c4NC2c(cc(OC)c(c5[N+](=O)[O-])O)c5)cccc4,0.0
80120,CO-ADD:0331463,-12.16,c(nc(c1ccc(cc1)Br)cc2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
80121,CO-ADD:0331304,-12.16,c1(C(=O)Nc(cccn2)c2)scc(OCCO3)c13,0.0
80122,CO-ADD:0331400,-12.16,C1(C(F)(F)F)(NC(=O)c2ccc(cc2)F)C(=O)NC3=C1C(=O)NC(N3CC(C)C)=O,0.0
80123,CO-ADD:0331336,-12.16,N1(Cc2ccccc2)C(=O)c3c(c(ccc4N5CCCC5)C1=O)c4ccc3,0.0
80124,CO-ADD:0330801,-12.16,c1(N(c2ccccc2)c3ccccc3)nc(SCC(OC(C)C)=O)nc(SCC(OC(C)C)=O)n1,0.0
80125,CO-ADD:0331220,-12.17,c1(\C(\CCC2)=N\OCC(=O)Nc3ccc(cc3Cl)Cl)c2non1,0.0
80126,CO-ADD:0331612,-12.17,c1(NC(=O)NC(c2ccccc2)=O)nc(OCC)nc(c3ccccc3)n1,0.0
80127,CO-ADD:0331620,-12.17,S(=O)(=O)(c(cc1)ccc1C(C)C)NCC(C2)(CC(CC23)CC4C3)C4,0.0
80128,CO-ADD:0331236,-12.18,c(cc1S(=O)(=O)N2CSCC2C(O)=O)cc(c1n3)ns3,0.0
80129,CO-ADD:0331644,-12.18,S(NCCOC(C1)(CC2CC1CC3C2)C3)(=O)(=O)c4cc(C)c(cc4Cl)Cl,0.0
80130,CO-ADD:0331517,-12.18,[N+](=O)([O-])c(cc1)ccc1C(=O)NCC2(CCCC2)c3ccc(cc3)OC,0.0
80131,CO-ADD:0328509,-12.18,S(=O)(=O)(c1ccc(cc1)C)N2C(C)Cc(cc3S(N)(=O)=O)c2cc3,0.0
80132,CO-ADD:0328661,-12.18,S(=O)(=O)(c1ccc(cc1)Cl)c(cccc2S(NCCc(c3c([nH]4)cccc3)c4C)(=O)=O)c2,0.0
80133,CO-ADD:0328352,-12.18,n1(c2ccccn2)nnnc1c(cc3)ccc3[N+](=O)[O-],0.0
80134,CO-ADD:0331586,-12.18,c(NC(c1cccs1)CC2C(F)(F)F)(c3Cl)n2nc3C(=O)N(C)c4ccc(cc4)OC(F)(F)F,0.0
80135,CO-ADD:0331202,-12.18,c12c(C(N(C)C(=O)N1C)=O)n(c(Oc(cc3)ccc3Oc4c(Cl)cc(cn4)Cl)n2)Cc(ccc(c5OCC)OCC)c5,0.0
80136,CO-ADD:0331090,-12.19,n1(Cc(cc2)ccc2Cl)c3c(nc1c4cccs4)cccc3,0.0
80137,CO-ADD:0331981,-12.19,c(C(=O)c(ccc1c2Cc(c13)cccc3)c2)(c(N)c(c4Nc5ccccc5)C#N)s4,0.0
80138,CO-ADD:0332029,-12.19,C1(N2C=CS1)=NC(C=C2C(OC)=O)=O,0.0
80139,CO-ADD:0331533,-12.19,n12c(ccc(OC(C)C)n1)nnn2,0.0
80140,CO-ADD:0328217,-12.19,S(=O)(=O)(c1ccc(cc1)Cl)c2c(O)c(C)cc(NS(c3ccccc3)(=O)=O)c2C,0.0
80141,CO-ADD:0327627,-12.19,n1(cnn2)c2SCC(c3ccc(cc3)F)=N1,0.0
80142,CO-ADD:0326667,-12.19,C1(=O)Nc(ccc(c2)C)c2Oc(cc(cc3Oc4cccc(Cl)c4Cl)[N+](=O)[O-])c13,0.0
80143,CO-ADD:0326244,-12.19,N1(c2ccc(cc2)OCCC)C(=O)C(CC1=O)NCC(CC(CC3C4)CC45)(C5)C3,0.0
80144,CO-ADD:0331847,-12.2,C(=O)(Nc1ccccc1)NC(C)C(O)=O,0.0
80145,CO-ADD:0332533,-12.2,[N+](=O)([O-])c1ccc(cc1NC2CC2)N(CC3)CCN3C(=O)c4cccc(OC)c4,0.0
80146,CO-ADD:0332390,-12.2,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2Cl)Cl)OC(N(CC3)CCO3)=N1,0.0
80147,CO-ADD:0331291,-12.2,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)C)C,0.0
80148,CO-ADD:0332150,-12.2,c1(C2=O)c(cn(c3ccc(cc3)F)c1)N(C(=O)N2C)C,0.0
80149,CO-ADD:0326336,-12.2,C(COc(cc1)ccc1CC)(NCCOc2ccccc2OC)=O,0.0
80150,CO-ADD:0327451,-12.2,C1(C2(C)C)=C(c(c3N2C(=O)c4ccco4)cc(cc3)C)\C(\SS1)=N/c(cc5)ccc5C(C)C,0.0
80151,CO-ADD:0326449,-12.2,n1(n2)c(nc(cc1C(F)(F)Cl)c3cccs3)cc2C(=O)N4C(C)CCCC4C,0.0
80152,CO-ADD:0327508,-12.2,n1(CC=C)c(SCC(=O)Nc2ccccc2Cl)nnc1c(cccn3)c3,0.0
80153,CO-ADD:0332272,-12.2,C(/SCC1=O)(=C(\C#N)/S(c2ccccc2)(=O)=O)\N1c3cc(C)ccc3C,0.0
80154,CO-ADD:0332336,-12.21,c1(nc(c2ccc(cc2)C)cc3C(F)F)n3ncc1C(=O)N4CCCCC4c(cccn5)c5,0.0
80155,CO-ADD:0331792,-12.21,C(C(=O)OCC1CCCO1)(=C(C)NC(=C23)CC(CC2=O)c4cccs4)C3c(cc5OC)cc(c5OC)OC,0.0
80156,CO-ADD:0331460,-12.21,n1(n2)c(nc(cc1C(F)(F)F)c3ccco3)cc2C(=O)N(C)c4ccc(cc4)OC(F)(Cl)F,0.0
80157,CO-ADD:0330828,-12.21,c1(C(=O)NCc2ccccc2Cl)c(C)c(Cl)c(nc1Oc(cc3)ccc3F)C,0.0
80158,CO-ADD:0330956,-12.21,c1(C(NCCO)=O)sc2c(c(C)cc(C)n2)c1n3cccc3,0.0
80159,CO-ADD:0331911,-12.22,S(=O)(=O)(c1cccc(c1)[N+](=O)[O-])N(CC2)CCN2c3ccc(c(Cl)c3)Cl,0.0
80160,CO-ADD:0332423,-12.22,C(C(OC)=O)(C(F)(F)F)(Nc1sc(c2n1)cccc2C)NC(=O)c3ccccc3F,0.0
80161,CO-ADD:0332431,-12.22,S(=O)(=O)(c1ccc(cc1)C)N2Cc(cccc3)c3CC2C(NCCc(ccc(c4OC)OC)c4)=O,0.0
80162,CO-ADD:0332000,-12.22,C(=C\c1ccccc1)(/NC(c2ccccc2)=O)\C(=O)N(CC3)CCC3N4CCCCC4,0.0
80163,CO-ADD:0332512,-12.22,c1(CSc2ncccn2)cc(Cl)cc(COCO3)c13,0.0
80164,CO-ADD:0327357,-12.23,C(=S)(c1ccc(cc1)OC)N(CC2)CCN2CC,0.0
80165,CO-ADD:0328678,-12.23,S(=O)(=O)(NCC(CC1CC2CC3C1)(C2)C3)c(cccc4C(=O)Nc5ccccc5)c4,0.0
80166,CO-ADD:0329477,-12.23,S(=O)(=O)(c1ccc(c(OC)c1)OC)NC(c2ccccc2Cl)CC(OCC)=O,0.0
80167,CO-ADD:0326682,-12.23,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4ccc(C(C)(C)C)s4,0.0
80168,CO-ADD:0326525,-12.23,N1(c2c(cccc2F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4cccc(Cl)c4Cl,0.0
80169,CO-ADD:0332180,-12.23,C(C(=O)c1ccc(cc1)F)(C2c3ccc(cc3)OC)=C(O)C(N2CCCC(O)=O)=O,0.0
80170,CO-ADD:0331119,-12.23,c(c1c(n2CC(=O)N3C(C)CCCC3C)cccc1)(C(=O)C(F)(F)F)c2,0.0
80171,CO-ADD:0331801,-12.23,S(=O)(=O)(Nc(cc1)ccc1C(O)=O)c(ccc(c23)NC(C(=O)N2)=O)c3,0.0
80172,CO-ADD:0330741,-12.23,c1(nc(c2ccc(c(OC)c2)OC)cc3C(F)(F)F)n3ncc1C(=O)NCC(CC(CC4C5)CC56)(C6)C4,0.0
80173,CO-ADD:0331701,-12.23,C1(C(=O)NC(N2c3ccc(cc3)F)=O)=C2NC(=O)C1(NC(CCc4ccccc4)=O)C(F)(F)F,0.0
80174,CO-ADD:0332134,-12.24,C1(C(=O)Nc(cc2)ccc2Oc3ccccc3)=Cc(cc(Br)cc4OC)c4OC1=O,0.0
80175,CO-ADD:0331086,-12.24,n1(Cc2cccc(C)c2)c3c(nc1COc(cc4)ccc4Cl)cccc3,0.0
80176,CO-ADD:0331742,-12.24,C(C(OC)=O)(=CN(C1CC1)C=C2C(OC)=O)C2c3ccccc3F,0.0
80177,CO-ADD:0328109,-12.24,C1(C(=O)NCc(ccc2C(OCC)=O)o2)=Cc3c(OC1=O)cccc3,0.0
80178,CO-ADD:0326526,-12.24,N1(c2c(cccc2F)F)C(CC(C)(C)CC3=O)=C3C(C(C#N)=C1N)c4cccc(Cl)c4Cl,0.0
80179,CO-ADD:0326558,-12.24,c1(c(c(cc2)ccc2C(C)(C)C)nn3Cc(cc4)ccc4Cl)c3nc(c5cccs5)cc1C(F)(F)F,0.0
80180,CO-ADD:0329157,-12.24,c1(NC(=O)C(C(F)(F)F)C(F)(F)F)sc(c(C)c1C(OCC)=O)C(=O)Nc2ccccc2,0.0
80181,CO-ADD:0331883,-12.25,S(=O)(=O)(N(CC1)CCN1c2cccc(C)c2C)c3c(Cl)cc(c(Cl)c3)OC,0.0
80182,CO-ADD:0332369,-12.25,S(=O)(=O)(N(CC1)CCN1c2ccccn2)c3cccc(nsn4)c34,0.0
80183,CO-ADD:0330925,-12.25,c1(C#N)c(COC)cc(nc1SCC(=O)Nc(cccc2C(F)(F)F)c2)C,0.0
80184,CO-ADD:0331312,-12.25,C1(C(F)(F)F)(NC(c(cc2)ccn2)=O)C(=O)NC3=C1C(=O)NC(N3c4ccccc4)=O,0.0
80185,CO-ADD:0331015,-12.25,C(C(F)(F)F)(NC(=O)c1ccc(cc1)C)(C2=O)NC(N2C(CC)C34CC(CC5C3)CC(C5)C4)=O,0.0
80186,CO-ADD:0331610,-12.26,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3CCOC(C4)(C5)CC(C6)CC4CC56)c7ccc(cc7)Br,0.0
80187,CO-ADD:0331269,-12.26,c1(N2CCCCC2)nc(OC)nc(N)n1,0.0
80188,CO-ADD:0331518,-12.26,C(=O)(C(c1ccccc1)c2ccccc2)NCC3(CCCC3)c4ccc(cc4)OC,0.0
80189,CO-ADD:0328753,-12.26,c1(c(C)cc(nc1Cl)Cl)C(=O)N(CC2)CCO2,0.0
80190,CO-ADD:0328204,-12.27,S(=O)(=O)(c1ccc(cc1)OC)c2cc(cc(C(C)C)c2O)NS(=O)(=O)c3ccc(cc3)OC,0.0
80191,CO-ADD:0328327,-12.27,c(c1C)(c2C)c(c(nn1)C)c(n2CCc(c3c([nH]4)cccc3)c4)C,0.0
80192,CO-ADD:0328932,-12.27,N1(c2ccc(cc2)Cl)C(=O)\C(\SC1=N)=C\c(ccc3c4ccc(cc4)OC(F)(F)F)o3,0.0
80193,CO-ADD:0328288,-12.27,S(=O)(=O)(c1ccc(cc1)Cl)N(CC2)CCN2c3ccc(c(C)c3)C,0.0
80194,CO-ADD:0331804,-12.27,C(c1ccccc1)(=O)NC(Cc2ccccc2)C(=O)OCC(=O)c3ccc(cc3)CCCCCCC,0.0
80195,CO-ADD:0332333,-12.27,C(=O)(c1ccco1)NC(c2ccc(c(OC)c2)OCC)CC(O)=O,0.0
80196,CO-ADD:0332541,-12.27,[N+](=O)([O-])c1ccc(cc1NCCc2ccccc2)N(CC3)CCN3C(=O)c4cccc(Br)c4,0.0
80197,CO-ADD:0331360,-12.27,C1(O)(CC(=O)c2ccccn2)c3c(N(CC#C)C1=O)cccc3,0.0
80199,CO-ADD:0137279,-12.28,c12c([C@H](C)N[C@@H](C)C1)c(O)cc(O)c2c(c(cc(C)cc3OC)c34)cc(c(c(O)c(c(OC)cc(C)c5)c56)cc6c(c(O)cc7O)c(C[C@@H](N[C@H]8C)C)c78)c4O.CC(O)=O.CC(O)=O,0.0
80200,CO-ADD:0137262,-12.29,O=C([C@@](O)(CC(CO)=C[C@]([C@@]([C@@]1(C)CO)([H])[C@@]1(OC(C)=O)[C@@H]([C@H]2C)OC(CCCCCCCCCCCCCCC)=O)([H])[C@]23O)[C@]34[H])C(C)=C4,0.0
80201,CO-ADD:0136591,-12.29,[H][C@@]1([C@](c(c(O)c(OC)cc2)c2C3)(CC4)CC(CC1)=O)[C@@H]3N4C,0.0
80202,CO-ADD:0135910,-12.29,n1cnc(c2c1)nc(SCc(cccc3)c3)n2[H],0.0
80203,CO-ADD:0135990,-12.29,N1(CCNC(=O)Nc(c(C)ccc2)c2)CC1,0.0
80204,CO-ADD:0136030,-12.29,c1ccc(n([H])c(c2ccccc2Cl)n3)c3c1,0.0
80205,CO-ADD:0135751,-12.29,N1([H])C(C(C)C(C(C)=C2)C12C)=O,0.0
80206,CO-ADD:0135759,-12.29,n1c(cccc2)c2c(cc(C)n3)n3c1,0.0
80207,CO-ADD:0137191,-12.3,c1(c(c2c(C(Cc(ccc3OC)c2c3O)N(C)CC4)c4c1)OC)OC,0.0
80208,CO-ADD:0137271,-12.3,c1ccc(N2C(N(C(C)(C)C2=O)C(OCc3ccccc3)=O)C4(CC(N5C(c6c(cccc6)C5=O)=O)C7=O)O7)c4c1,0.0
80209,CO-ADD:0136467,-12.3,S(C)c(sc(C(NC1CCCCC1)=O)c2N)n2,0.0
80210,CO-ADD:0136483,-12.3,O(C)c1ccc(N=C(SCC2(CO)C)/N2[H])cc1,0.0
80211,CO-ADD:0136523,-12.3,C(/O1)(N=NC12C3C(C)(CC(C)(C)C2)O3)=N/c4ccccc4,0.0
80212,CO-ADD:0137114,-12.31,Clc1cc(ccc1OCc2cccc(C(N(C)C)=O)c2)N(C(N)=N3)C(C)(C)N=C3N.C(S(O)(=O)=O)C,0.0
80213,CO-ADD:0136682,-12.31,Clc(nc(c(cn1)c2Nc3ccc([N+](=O)[O-])cc3)n1C)n2,0.0
80214,CO-ADD:0136867,-12.31,c1cc(C=C(/C(OCC)=O)C(OCC)=O)ccc1Br,0.0
80215,CO-ADD:0136907,-12.31,O1C(C(Oc(c2cc(c3ccccc3)c4)c4)N2[H])N([H])c(cc(c5ccccc5)c6)c1c6,0.0
80216,CO-ADD:0136716,-12.31,c1(C)ccc(S(NNC(=O)C23CC(CC2)CC3)(=O)=O)cc1,0.0
80217,CO-ADD:0136748,-12.31,c1(C)cccc(C)c1NC(Nc(ccc(S(N)(=O)=O)c2)c2)=O,0.0
80218,CO-ADD:0136828,-12.32,Clc1ccc(oc(c2nc(c3ccc(Cl)cc3)sc2)c4)c4c1,0.0
80219,CO-ADD:0137122,-12.32,O=C(c(c(OC)ccc1)c1C2=O)c(c(O)c([C@H](C[C@](O)(C(=N/O)C)C3)OC(CC(N)C(O)C4C)O4)c35)c2c5O.Cl,0.0
80220,CO-ADD:0135594,-12.32,n1ccccc1C=Cc2ccccn2,0.0
80221,CO-ADD:0135731,-12.32,C1(O)=C(C(N([H])C(C)=C1)=O)C(=O)OCC,0.0
80222,CO-ADD:0135763,-12.33,N1(O)C(C)(C)CC(CC1(C)C)=O,0.0
80223,CO-ADD:0135843,-12.34,n1(c(cccc2)c2c(ccc3)c1c3)c(ccc4)cc4,0.0
80224,CO-ADD:0136630,-12.34,N12C(CCOP1(N(CCCl)CCCl)=O)CCCC2,0.0
80225,CO-ADD:0136083,-12.34,O=C(OCC)C(=C([H])c(n(c(C(OCC)=O)c1)[H])c1)[H],0.0
80226,CO-ADD:0136935,-12.34,n12c(c(c3c1cccc3)CC4)C(C(CC)(CCC5)CC2(C(=O)OC)O)N45,0.0
80227,CO-ADD:0136863,-12.34,C1C(=C/c2ccccc2)C(=O)C(=Cc3ccccc3)CN1C(OCC)=O,0.0
80228,CO-ADD:0136879,-12.34,O1CC(C(CC(C(C)=CC(O)C2O)C23C)O4)(C3C15O)C(C(O)C4=O)C(C)C5O,0.0
80229,CO-ADD:0137007,-12.34,n1ccc2c(c1)c(C)c(c3c(cccc3)n4CCOC(=O)c(ccc5)cc5)c4c2C,0.0
80230,CO-ADD:0136087,-12.35,N(S(Nc1ncccc1)(=O)=O)(C)C,0.0
80231,CO-ADD:0136582,-12.35,O=C(c(cc(OC)c(cccc1)c12)c2CC3)C3(CC)C(OC)=O,0.0
80232,CO-ADD:0136662,-12.35,N1(C(OCC)=O)CCN(Cc2c3c(cccc3)ccc2O)CC1,0.0
80233,CO-ADD:0136590,-12.36,O=[As](O)(c(ccc([N+](=O)[O-])c1)c1)c(ccc(N)c2)c2,0.0
80234,CO-ADD:0136391,-12.36,n1c(cccc2)c2c(NC(OCC)=O)c3c1cccc3,0.0
80235,CO-ADD:0136543,-12.36,N(c(c(O)c1)c(c(c1)n2[H])nn2)=Nc3ccc(C)cc3,0.0
80236,CO-ADD:0136583,-12.36,c1cc(sc(NS(=O)(=O)c2ccc(N)cc2)n3)c3cc1OCC,0.0
80237,CO-ADD:0136980,-12.36,O=[As](O)(O)c(ccc(NC(=O)c(ccc(C(N)=O)c1)c1)c2)c2,0.0
80238,CO-ADD:0136908,-12.37,O(CC(CN1CCN(CC1)c(ccc(c2)Cl)c2)O)c(ccc(OC)c3)c3,0.0
80239,CO-ADD:0136916,-12.37,c1c2c(c3cc1)c(NC4(N3)CCC5(Nc6c(c(ccc7)ccc6)c7N5)CC4)ccc2,0.0
80240,CO-ADD:0136781,-12.37,c1ccc2c(c(cc(N)c2)C(=O)N(CCN(CC)CC)C3=O)c13,0.0
80241,CO-ADD:0136797,-12.38,O(CC)C(Nc(cc(N([H])CC(c1ccccc1)=N2)c2c3N)n3)=O,0.0
80242,CO-ADD:0136973,-12.38,c1ncc(NC(Nc2ccc(C)c(NC(Nc3cnccc3)=O)c2)=O)cc1,0.0
80243,CO-ADD:0135832,-12.38,c1c(C(N(C(C)C)C(C)C)=O)cc([N+](=O)[O-])cc1,0.0
80244,CO-ADD:0135992,-12.38,c1c(NC(NCC=C)=S)cc([N+](=O)[O-])cc1,0.0
80245,CO-ADD:0135928,-12.39,n1cccc(C=CC(=O)c(c(O)ccc2)c2)c1,0.0
80246,CO-ADD:0135753,-12.39,N1(C)C(n2c(ncn2)N=C1)=S,0.0
80247,CO-ADD:0136593,-12.4,N1(C)C(=O)c([nH]c(COc2ccc(C(C)(C)C)cc2)n3)c3N(C)C1=O,0.0
80248,CO-ADD:0136562,-12.4,N(=Nc(c(O)ccc1N=Nc(cccc2)c2)c1O)c(cccc3)c3,0.0
80249,CO-ADD:0136396,-12.4,O=C1N([H])N=C(C(SC)=N1)Sc(cccc2)c2,0.0
80250,CO-ADD:0136420,-12.4,Clc(ccc1)c(C(=O)Nc(c(C(N)=O)ccc2)c2)c1,0.0
80251,CO-ADD:0136500,-12.41,c1cc(OC)c2c(CN(c(cc(C(OCC)=O)cc3)c3O2)[H])c1,0.0
80252,CO-ADD:0136628,-12.41,O=C(N(C)C(=C1C2=O)N([H])C(=NN=Cc3ccc(O)c(OC)c3)N1[H])N2C,0.0
80253,CO-ADD:0136764,-12.41,c1noc(C=C(CCC(C2C(C)(C(O)(CC2)C#C[H])C3)C4C3)C4(C)C5)c15,0.0
80254,CO-ADD:0136769,-12.41,C1C(C)(C)CC(NNC(N)=N[H])=C(CC(c2ccccc2)=O)C1=O,0.0
80255,CO-ADD:0136130,-12.42,c1c(ncc(C(c2sccc2)=O)c1)Cl,0.0
80256,CO-ADD:0136290,-12.42,N1(C)CCN(C(C=Cc2ccc([N+](=O)[O-])o2)=O)CC1,0.0
80257,CO-ADD:0136044,-12.42,Clc1nc(C(N)=O)cc(C(N)=O)n1,0.0
80258,CO-ADD:0135997,-12.42,n1ccccc1c2sc(c3ccccn3)nn2,0.0
80259,CO-ADD:0135814,-12.42,[H]N1C=Nc(n([H])nc2C#N)c2C1=O,0.0
80260,CO-ADD:0135758,-12.42,n1c(O)nc2n(ncn2)c1O,0.0
80261,CO-ADD:0137239,-12.42,[C@@H]1(O)CC[C@@H](C[C@@H](C)[C@H]2OC([C@H]3N(C(C([C@]4(O)O[C@H](C[C@H](OC)C(C)=CC=CC=C[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)C(C)=C[C@@H](C)C(=O)C2)CC[C@H]4C)=O)=O)CCCC3)=O)C[C@H]1OC,0.0
80262,CO-ADD:0137269,-12.42,CC12C(C(CCC1)(C)C)CCC(C(OC3)=O)=C23,0.0
80263,CO-ADD:0137228,-12.43,O1C(C)C(C)C(O)C(C)C=CC=CCCC=CC=CC=CC=CC(CC(C(C(=O)O)C2O)OC(CC(O)C(O)CCC(O)CC(O)CC(O)CC1=O)C2)OC3C(O)C(N)C(O)C(C)O3,0.0
80264,CO-ADD:0137181,-12.43,c1(O)cc(OC(=O)c(c2c(o3)cc(O)cc2)c34)c4cc1,0.0
80265,CO-ADD:0137217,-12.43,O=C(C(C)(C)C(=CC[C@]([C@@]1(C)C(C2)=O)([C@](C)(C[C@H]3O)[C@@]2(C)[C@@]3([H])[C@](C(=O)C(=C(C(C)(C)OC(C)=O)[H])[H])(O)C)[H])[C@]14[H])C(O)=C4,0.0
80266,CO-ADD:0136432,-12.43,n1ccccc1NC(NC(=O)c(cccc2)c2)=S,0.0
80267,CO-ADD:0136545,-12.44,c1c(C(O)=O)c(ccc1)C(Nc2cccc([N+](=O)[O-])c2)=O,0.0
80268,CO-ADD:0136484,-12.44,c1c(cc(NC(Nc2sccn2)=O)cc1)Cl,0.0
80269,CO-ADD:0137145,-12.44,S(c1ccccc1)c(cc2)cc(c3cc(c(cc(S(F)(=O)=O)c4)c(c4)n3)Cl)c2,0.0
80270,CO-ADD:0136719,-12.44,n1n(c(Nc(cccc2)c2)nc1C(C)C)P(N(C)C)(N(C)C)=O,0.0
80271,CO-ADD:0135834,-12.44,n1n([H])c(c(cccc2)c2)nc1NC(=O)N,0.0
80272,CO-ADD:0135674,-12.44,n1c(N)nn2c(c1N)cnn2,0.0
80273,CO-ADD:0136638,-12.44,Brc(c(c(C)c(c1C)Br)Br)n1,0.0
80274,CO-ADD:0136383,-12.45,O=C(N([H])C(C(CCC=C)(C1=CCCCC1)C2=O)=O)N2[H],0.0
80275,CO-ADD:0136623,-12.45,O=C(C(C(C)CC)=C(N)N1S(=O)(=O)c(ccc(C)c2)c2)O1,0.0
80276,CO-ADD:0136551,-12.45,c1c(C=C(/C#N)C(c2ccccc2)=O)ccc(C#N)c1,0.0
80277,CO-ADD:0136647,-12.45,s1c(C(O)c(cc(OC)c2OC)cc2OC)nc(ccc3)c1c3,0.0
80278,CO-ADD:0135850,-12.46,O=C1c2c(cccc2)C(C1C(C(C)(C)C)=N3)=N3,0.0
80279,CO-ADD:0135922,-12.46,N1=CN([H])c(c(C1=S)n2)n(C(CCC3)O3)c2,0.0
80280,CO-ADD:0136002,-12.46,c1ccc(C2C(C(N)=O)=C(N)c(cccc3)c23)cc1,0.0
80281,CO-ADD:0137125,-12.46,c1c(C(OC)C2C)c(O)c(NC(=O)C(C)=CC=C/C(C)C(OC(N)=O)C(C)=C/C(C)C(OC)C(OC)C2)cc1O,0.0
80282,CO-ADD:0136982,-12.46,o1c(c(c2ccc(C)cc2)nc1c3c(ccc4)c(ccn3)c4)c(cccc5)c5,0.0
80283,CO-ADD:0136730,-12.46,C1(=O)C(Sc2c(N)cccc2)CC(=O)N1c3c(Cl)cccc3,0.0
80284,CO-ADD:0136575,-12.46,c1ccc(Nc2c3c(c(Nc4ccccc4)ccc3)ccc2)cc1,0.0
80285,CO-ADD:0136671,-12.47,O=C(N(C)c(c1C2=O)nc(OCCc(cccc3)c3)n1C)N2C,0.0
80286,CO-ADD:0135974,-12.47,n1cc(C)ccc1NP(OCC)(OCC)=O,0.0
80287,CO-ADD:0135791,-12.47,C1C(C)N2C(=NCC2)C1(C)C,0.0
80288,CO-ADD:0135983,-12.47,Fc(cc1[N+](=O)[O-])c(ccc2)c(c1O)n2,0.0
80289,CO-ADD:0135911,-12.47,O1C=CCCC1C(OCC(CCC=C2)O2)=O,0.0
80290,CO-ADD:0137024,-12.48,C1C(=O)c(cc(CC2(Cc(cc(C(=O)CCC3)c3c4)c4C2)C5)c5c6)c6CC1,0.0
80292,CO-ADD:0136755,-12.48,O(C(=O)Nc(cc(SC)cc1)c1)C(CCCCCCCCC2)CC2,0.0
80293,CO-ADD:0136843,-12.48,n1ccc(C(Nc2ccc(NC(c3ccncc3)=O)cc2)=O)cc1,0.0
80294,CO-ADD:0136724,-12.48,O=C(C(=C/N)C(=O)N(c(cccc1)c1)C2=O)N2c(cccc3)c3,0.0
80295,CO-ADD:0135962,-12.49,c1c(OC(=O)Nc(ccc(O)c2)c2)ccc(N)c1,0.0
80296,CO-ADD:0136099,-12.49,O=S1(CCN(Cc2ncccc2)CC1)=O,0.0
80297,CO-ADD:0136331,-12.49,O1C(C)C1c(cc2)ccc2c(cc3)ccc3C(C4C)O4,0.0
80298,CO-ADD:0136132,-12.49,n1cnc(sc(SC)n2)c2c1NCC=C,0.0
80299,CO-ADD:0136148,-12.49,c1c(c(cc(Cl)c1)sc2S[H])n2,0.0
80300,CO-ADD:0136855,-12.49,C1(C#N)=CN=C(SC)N(N([H])C2c(ccc(Cl)c3)c3)C1=N2,0.0
80301,CO-ADD:0136720,-12.49,Clc1c(cc(c(c1)Oc2c([N+](=O)[O-])cccn2)Cl)Cl,0.0
80302,CO-ADD:0136744,-12.49,O=C(C1)C(C#N)(C(OCC)=O)C(=N/c(c(ccc2)Cl)c2)S1,0.0
80303,CO-ADD:0136832,-12.5,n1(cc(c2nc(Cl)nc(Cl)n2)c(ccc3)c1c3)c(ccc4)cc4,0.0
80304,CO-ADD:0136840,-12.5,O=S(CC)(=O)C1C(N(C)C(S(CC)(=O)=O)C(=O)N1C)=O,0.0
80305,CO-ADD:0136215,-12.5,O=[As](O)(O)c1ccc(N(CC(O)=O)[H])cc1,0.0
80306,CO-ADD:0136120,-12.5,C(CC(C)(C)N1CN([H])C(=S)N([H])C1)(C)(C)C,0.0
80307,CO-ADD:0136177,-12.51,O1C(C)=C(C(OCC)=O)C(C(C(OCC)=O)=C1C)=O,0.0
80308,CO-ADD:0137208,-12.51,O1c2c(c(ccc2OC)C(O3)=O)c(c3c(OC)c4)c(C1=O)c4CCN(C)C.C(C)(=O)O,0.0
80309,CO-ADD:0136397,-12.51,[H]N1C(C(=CC=C1O)N=Nc(ccc(S(N)(=O)=O)c2)c2)=O,0.0
80310,CO-ADD:0136541,-12.51,C1N(C(=O)N(c2nncs2)C1)c3n(C)c([N+](=O)[O-])cn3,0.0
80311,CO-ADD:0136637,-12.51,C1(c2ccccc2)=C(Cc3ccccc3)C(=O)N(C4CCN(C)CC4)N1[H],0.0
80312,CO-ADD:0136502,-12.52,C1CC1c(cc(NC(Nc2ccccc2)=O)n3C(C)(C)C)n3,0.0
80313,CO-ADD:0136978,-12.52,c1ccc(N=C(c2cc(COC(C)=O)n(c3ccc(Cl)cc3)n2)C(=O)N4[H])c4c1,0.0
80314,CO-ADD:0136922,-12.52,Clc(cc1c(S(=O)(=O)N([H])C(CC(CCC2)C2)N1[H])c3)c3S(=O)(=O)N,0.0
80315,CO-ADD:0137002,-12.52,n1c(cccc2)c2c(cc1c(ccc(c3)Cl)c3)C(O)C4NCCCC4,0.0
80316,CO-ADD:0137115,-12.52,n1c(c(c(Nc(cc([N+](=O)[O-])c(C(Nc(ccc(Nc(ccn2)cc2)c3)c3)=O)c4)c4)cc1)cc([N+](=O)[O-])c5)c5,0.0
80317,CO-ADD:0137139,-12.53,O1C=C[C@]([C@]1(O2)[H])(c(c2cc3OC)c(c3C(c(c4c5OC)c(O)cc5)=O)O4)[H],0.0
80318,CO-ADD:0137067,-12.53,c1ccc(C(Nc2c3c(C(C)(C)CC3(C)C)cc(N(CCC4)C4)c2C)=O)c(Cl)c1,0.0
80319,CO-ADD:0136003,-12.53,N1([H])CCC(=C(/C#N)C#N)c(cc(C)c2)c1c2,0.0
80320,CO-ADD:0136019,-12.53,c1ccc(n2c(CSCC2=O)n3)c3c1,0.0
80321,CO-ADD:0135756,-12.54,O(CCC#C)C(=O)Nc(cccc1)c1,0.0
80322,CO-ADD:0135852,-12.54,N(c(ccc1)cc1)=Nc2c3c(c(N)cc2)cccc3,0.0
80323,CO-ADD:0136349,-12.54,n1c(c(cc(C(=O)c(cccc2)c2)c3)c(O)cc1C)c3,0.0
80324,CO-ADD:0136285,-12.54,O=C1c2c(C(c3ccccc3)=C(c4ccccc4)O1)cccc2,0.0
80325,CO-ADD:0136365,-12.55,O=C(N(C)c(c1C2=O)nc(N3CCCCC3)n1[H])N2C,0.0
80326,CO-ADD:0136054,-12.55,c1cc(S(=O)(=O)N)ccc1NC(NC)=O,0.0
80327,CO-ADD:0135684,-12.55,[H]N1CC(C(C)=C(c2ccccc2)C=N1)=O,0.0
80328,CO-ADD:0136481,-12.55,O(CC)c1c(cc2c(ncnc2Cl)c1OCC)OCC,0.0
80329,CO-ADD:0137119,-12.55,Cl.c1cc(C(NC(Nc2ccc(Oc3ncc(Br)cn3)c(C)c2)=O)=O)c(NC(C(C)N)=O)cc1,0.0
80330,CO-ADD:0135607,-12.55,c1(O)c(O)ccc(C(O)=O)c1,0.0
80331,CO-ADD:0135639,-12.56,[H]N(C1(CCCC1)N2[H])C(C)CC2(C)C,0.0
80332,CO-ADD:0135719,-12.57,C(C(=C[N+](=O)[O-])C=C1NC(C)=O)=C1O,0.0
80333,CO-ADD:0135820,-12.57,C(NC(OC)=N/C(C)C)(C)C,0.0
80334,CO-ADD:0136100,-12.57,n1ccn(CC(COC)O)c1[N+](=O)[O-],0.0
80335,CO-ADD:0136281,-12.57,Clc(ccc1C(C=Cc(ccc2Cl)s2)=O)s1,0.0
80336,CO-ADD:0136703,-12.57,Brc(cc1)c(ccc2)c(c1OS(=O)(=O)C)n2,0.0
80337,CO-ADD:0135672,-12.57,N1(C(CCCCC)=O)CCCCC1,0.0
80338,CO-ADD:0135632,-12.57,n1c(cc2)c(ccc1)c(c2ccc3)n3,0.0
80339,CO-ADD:0135593,-12.57,n1n([H])c(CO)nc1N.OCC(O)=O,0.0
80340,CO-ADD:0135601,-12.58,n1c(SCC)ncc(CO)c1N,0.0
80341,CO-ADD:0136165,-12.58,N1=C(Nc2ccccc2)NC(c(c(ccc3)[H])c3)N=C1N,0.0
80342,CO-ADD:0136229,-12.58,Clc(nc(c(cn1)c2Nc3ccc(O)cc3)n1C)n2,0.0
80343,CO-ADD:0137038,-12.58,[H][C@@](C[C@@H](OC(C)=O)CC1)(CC[C@]([C@@]2(CC3=O)[H])([C@](C[C@@]([C@@]4(C5=O)[H])(CC(C)=C5)[H])([C@]34C)[H])[H])[C@]12C,0.0
80344,CO-ADD:0136246,-12.58,c1ccc(c(OC)c(NC(C)=O)c(cccc2)c23)c3c1,0.0
80345,CO-ADD:0160577,-12.59,O=S(OC1=CC=C2C=CC=CC2=C1/C=N\N=C/C(C3=CC=CC=C3C=C4)=C4OS(C(C=C5)=CC=C5[N+]([O-])=O)(=O)=O)(C(C=C6)=CC=C6[N+]([O-])=O)=O,0.0
80346,CO-ADD:0159921,-12.59,O=S(NC1=NC=CN=C1OC)(C(C=C2)=CC=C2NC(NC(C(F)(F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F)=S)=O,0.0
80347,CO-ADD:0160425,-12.59,O=C(NC1=CC=C(C=C1)C(N/N=C/C2=CC=C(N(C)C)C=C2)=O)C(C=CC=C3)=C3Cl,0.0
80348,CO-ADD:0159945,-12.59,O=C1/C(N=C(C(C=C2)=CC=C2OCCCCCCCCCC)O1)=C/C3=CC=C(C)C=C3,0.0
80349,CO-ADD:0160180,-12.6,BrC1=CC=C(O)C(/C=N/C2=C(C=CC=C2)/N=C/C3=C(C=CC=C4)C4=CC=C3O)=C1,0.0
80350,CO-ADD:0160220,-12.6,O=S(C(C=C1)=CC=C1OCC)(NCCCN2CCCCC2)=O,0.0
80351,CO-ADD:0154974,-12.6,N#CC1(C#N)[C@]2([H])N([C@H](C(C3(C[C@H]4C5)C[C@H]5C[C@H](C4)C3)=O)[C@H]1C(C=CC=C6)=C6F)C7=CC=CC=C7C=C2,0.0
80352,CO-ADD:0154779,-12.6,O=C(C1=CC=C(F)C=C1)NC2=NC=NN2,0.0
80353,CO-ADD:0154911,-12.6,N#CC1=C(SC(N)=C(C#N)C1C2=CC=C3OCOC3=C2)N,0.0
80354,CO-ADD:0158683,-12.6,ClC1=C(O)C(/C=N/C2=CC=C3C(N=C(C4=CC=NC=C4)O3)=C2)=CC(Br)=C1,0.0
80355,CO-ADD:0158691,-12.6,[O-][N+](C1=CC=C(/C=N/NC(CC(N/N=C/C2=CC=C([N+]([O-])=O)S2)=O)=O)S1)=O,0.0
80356,CO-ADD:0162222,-12.61,c1(N(CC2)CCO2)nc(N\N=C(/C)\c3ccc(cc3)N)nc(Nc4cccc(Br)c4)n1,0.0
80357,CO-ADD:0162570,-12.61,N1(C(=O)c2c(C(C)=N1)cccc2)c3cc(ccc3[N+](=O)[O-])N(CC4)CCN4C,0.0
80358,CO-ADD:0162602,-12.61,C(C(OCC)=O)(=C(CSc1nc(CC)c(cc1C#N)C)OC(=C2C#N)N)C2c3ccccc3I,0.0
80359,CO-ADD:0162706,-12.61,C1(\N=C\c(cc2)ccc2[N+](=O)[O-])=C(C)N(N(c3ccccc3)C1=O)C,0.0
80360,CO-ADD:0162719,-12.61,C(=O)(N\N=C\c1ccc(cc1Cl)Cl)Nc2ccccc2,0.0
80361,CO-ADD:0162303,-12.61,C(=O)(N\N=C\c(cc1)ccc1N(C)C)CCOc2cccc(Br)c2,0.0
80362,CO-ADD:0162547,-12.61,C(=O)(Oc(cc1)ccc1\C=N\c(cc2)ccc2OC)CC(c3ccccc3)c4ccccc4,0.0
80363,CO-ADD:0163502,-12.62,c1(c(Br)cc(cc1\C=N\NC(COc2ccccc2C)=O)Br)OC(=O)c3ccco3,0.0
80364,CO-ADD:0163158,-12.62,S(c1ccccc1)(=O)(=O)Nc(cc2)ccc2OCCCCC,0.0
80365,CO-ADD:0163166,-12.63,[N+](=O)([O-])c(ccc(c1c2ccc(\C=N\NC(=O)c(cc3)ccc3[N+](=O)[O-])o2)Cl)c1,0.0
80366,CO-ADD:0161959,-12.63,C(CNc(cc1)ccc1C)(=O)N\N=C\c(cc2)ccc2F,0.0
80367,CO-ADD:0216948,-12.63,C(=O)(N\N=C\c1cccc(Br)c1)C(NCCC)=O,0.0
80368,CO-ADD:0217672,-12.63,N1(SCc2ccccc2)C(=O)c(c3C1=O)cccc3,0.0
80369,CO-ADD:0216904,-12.63,c1(ccc(C(=O)Oc(cc2)ccc2\C=N\c3cccc(C)c3C)o1)[N+](=O)[O-],0.0
80370,CO-ADD:0217288,-12.63,N1(CNc(ccc(c2C)C)c2)C(=O)\C(\SC1=O)=C\c3ccc(C)o3,0.0
80371,CO-ADD:0217544,-12.64,c1(Br)oc(cc1Br)\C=N\NC(=O)c(ccc(c23)OCCO2)c3,0.0
80372,CO-ADD:0217769,-12.64,c1(non2)c2nc(OC)c(Nc3cc(C)ccc3C)n1,0.0
80374,CO-ADD:0158359,-12.64,O=C(NCCCCCCCC)C(C=C1)=CC=C1/N=C/C2=CC=CC(OC)=C2,0.0
80375,CO-ADD:0157263,-12.64,O=C(CCC1=CC=CC=C1)NCC2=CC=C3C(OCO3)=C2,0.0
80376,CO-ADD:0158487,-12.65,O=C(NC1=CC=CC(C(NC(C=CC=C2)=C2C)=O)=C1)C(C=CC=C3)=C3C(O)=O,0.0
80377,CO-ADD:0157674,-12.65,[O-][N+](C1=CC(C2C(C3=O)=C(CCC3)N(C(C2)=O)C4=CC=CC=C4)=CC=C1)=O,0.0
80378,CO-ADD:0156898,-12.65,O=C(NC(C=C1)=CC=C1I)C2=C(N)C(C(C(F)(F)F)=CC(C)=N3)=C3S2,0.0
80379,CO-ADD:0156962,-12.65,O=C(C1=CC=C(C)C=C1)C2=C(N)C(C=C3C)=C(N=C3CC)S2,0.0
80380,CO-ADD:0161509,-12.65,N12[C@@]([H])(C=CC(C#N)=C1)[C@]([C@@]([H])(c3ccccc3)[C@]2([H])C(c4ccccc4)=O)([H])\C(\C5CC5)=C(\C#N)/C#N,0.0
80381,CO-ADD:0160174,-12.65,CC1=CC2=C(C=C1)N=C(C(C=C3)=CC=C3/N=C/C4=CC=C(OC)C=C4)S2,0.0
80382,CO-ADD:0161593,-12.65,c12c(ccc(n1)\C=N\NC(=O)CCOc3cccc(Br)c3)ccc(ccc(n4)\C=N\NC(=O)CCOc5cccc(Br)c5)c24,0.0
80383,CO-ADD:0161261,-12.65,C(C(c1ccccc1)C(S2)C(c3ccccc3)=O)(C(=O)OC(C)C)=C2N,0.0
80384,CO-ADD:0161325,-12.65,C(C(OCC)=O)(C1c(ccc(c2[N+](=O)[O-])Cl)c2)=C(c3ccccc3)OC(N)=C1C#N,0.0
80385,CO-ADD:0160307,-12.66,O=C1NC(C(Br)=CC(C)=C2)=C2/C1=N/NC(C3=CC=C(OC)C=C3)=O,0.0
80386,CO-ADD:0158598,-12.66,O=C(C1=C2C=CC(Br)=C1)N(C(C=C3)=CC=C3C(OCC(C)C)=O)C2=O,0.0
80387,CO-ADD:0155491,-12.66,[O-][N+](C1=CC(C(OC/2=O)=NC2=C/C3=CC=C(C=C3)N(C)C4=CC=CC=C4)=CC([N+]([O-])=O)=C1)=O,0.0
80388,CO-ADD:0156445,-12.66,O=C(CSC1=CC=CC=N1)NC(C=C2)=CC=C2F,0.0
80389,CO-ADD:0156337,-12.67,O=C1/C(C2=CC(C)=CC=C2N1C)=N\NC(C3=CC=C(Br)C=C3)=O,0.0
80390,CO-ADD:0156169,-12.67,FC(F)(F)C(C=C1)=CC=C1NC2=C(C=CC=C3)C3=NC4=CC=CC=C24,0.0
80391,CO-ADD:0156464,-12.67,[O-][N+](C1=CC(/C=N/C2=CC3=C(C=C2)OC(C4=C(Cl)C=CC(Cl)=C4)=N3)=C(O)C=C1)=O,0.0
80392,CO-ADD:0162207,-12.67,c1(N2CCCC2)nc(N\N=C\c3cc(Cl)ccc3O)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
80393,CO-ADD:0162215,-12.67,c1(N2CCCC2)nc(N\N=C\c3cccc(Br)c3)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
80394,CO-ADD:0154369,-12.67,OC1=CC=C(N(C(OC(C)(C)C)=O)C(C(OCC)=O)=C2)C2=C1,0.0
80395,CO-ADD:0154376,-12.68,C#CC[N+]1=C(N)C=CC=C1.[Br-],0.0
80396,CO-ADD:0154285,-12.68,CC1=NN(C=N2)C(C3=C2N(C4=CC=CC=C4)N=C3C)=N1,0.0
80397,CO-ADD:0162139,-12.68,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C(/CC2)\c3c(C2)cc(OC)cc3)c4ccc(cc4C)Cl,0.0
80398,CO-ADD:0161973,-12.69,C(F)(F)(C(F)(F)F)C(F)(F)C(=O)Nc(cc(cc1C(=O)NC(F)(F)C(F)(F)C(F)(F)F)[N+](=O)[O-])c1C,0.0
80399,CO-ADD:0161706,-12.69,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(c3ccccc3)=O)OC,0.0
80400,CO-ADD:0162008,-12.69,S(=O)(=O)(c(cccc1C(=O)Nc(cc2)ccc2[N+](=O)[O-])c1)Nc(cc3)ccc3F,0.0
80401,CO-ADD:0161985,-12.69,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)N\N=C\CCCCCCCCCC)c1,0.0
80402,CO-ADD:0161968,-12.7,C(CNc(cc1)ccc1C)(=O)N\N=C\c(cc2)ccc2Br,0.0
80403,CO-ADD:0217529,-12.7,C(=N\NC(=O)c(c1)cc(cn1)Br)(/c2c(N3C)cccc2)\C3=O,0.0
80404,CO-ADD:0163556,-12.7,C(COc(cc1)ccc1Cl)(=O)N\N=C\C(\Br)=C\c2ccccc2,0.0
80405,CO-ADD:0156887,-12.7,N#CC1=C(/N=C/C2=CC=C(C(C=C3)=CC=C3/N=N/C4=CC=CC=C4)O2)SC5=C1CCCC5,0.0
80406,CO-ADD:0156895,-12.71,[O-][N+](C1=CC=C(C(C2=CC=C(/C=N/C3=CC(Cl)=C(Cl)C=C3)O2)=C1)Cl)=O,0.0
80407,CO-ADD:0156951,-12.71,O=C(C)N(C1(CCCC1)O2)N=C2C3=CC(OC)=CC=C3,0.0
80408,CO-ADD:0157439,-12.71,O=C(C1=CC(Br)=CC=C1)N/N=C/C2=CC=C(SC3=CC=CC4=C3N=CC=C4)O2,0.0
80409,CO-ADD:0158096,-12.71,O=C(CN(C)C1=CC=CC=C1)N/N=C(C)/C2=CC=C(Br)C=C2,0.0
80410,CO-ADD:0157371,-12.71,[O-][N+](C1=CC(/C=N/NC(N/N=C/C2=CC=CC([N+]([O-])=O)=C2)=NN)=CC=C1)=O,0.0
80411,CO-ADD:0160339,-12.71,OC1=CC=C2C(C=CC=C2)=C1/C=N/C3=CC=C(C=C3)C(O4)=NC5=C4C=C(C)C=C5,0.0
80412,CO-ADD:0160543,-12.71,OC(C(F)=CC=C1)=C1/C=N/C2=CC(N=C(C(C=C3)=CC=C3C(C)(C)C)O4)=C4C=C2,0.0
80413,CO-ADD:0159990,-12.72,O=C(C1=C2C=CC(Br)=C1)N(C3=CC=CC(NC(C)=O)=C3)C2=O,0.0
80414,CO-ADD:0159998,-12.72,O=C(N/N=C/C1=CC=CS1)C(NC2=CC(Cl)=CC=C2C)=O,0.0
80415,CO-ADD:0160563,-12.72,O=C1N(C2=CC(C(NC(C=C3)=CC=C3OC4=CC5=C(C=C4)C(OC5=O)=O)=O)=CC(C(NC(C=C6)=CC=C6OC7=CC=C8C(OC(C8=C7)=O)=O)=O)=C2)C(C9=C1C=CC=C9)=O,0.0
80416,CO-ADD:0160571,-12.73,O=C(N/N=C/C1=CC=C(C(OCC)=C1)OCC2=CC=C(Cl)C=C2)C(NC(C)(C)C)=O,0.0
80417,CO-ADD:0156488,-12.73,O=S(N1CCN(CC2=CC(C(C)C)=CC=C2O)CC1)(C(C=C3)=CC=C3C)=O,0.0
80418,CO-ADD:0156469,-12.74,ClC1=C(C(Br)=C(O)C(/C=N/C2=CC=C(C=C2)C3=NC4=CC(C)=CC=C4S3)=C1C)C,0.0
80419,CO-ADD:0156253,-12.74,FC(F)(F)C1=CC(/N=C/C2=C(O)C(Cl)=CC(Cl)=C2)=CC=C1,0.0
80420,CO-ADD:0158721,-12.74,[O-][N+](C(N=C1)=NN1CC(C2=CC=CS2)=O)=O,0.0
80421,CO-ADD:0155605,-12.74,O=C(CNC1=CC=C(C)C=C1)N/N=C(C)/C2=CC=C(C=C2)C(C)(C)C,0.0
80422,CO-ADD:0156354,-12.76,O=C(/C(C1=C2C(C)=CC(Br)=C1)=N/NC(C3=CC=CC(O)=C3)=O)N2C,0.0
80423,CO-ADD:0162787,-12.76,C(=O)(Nc(cc1)ccc1F)C\C(\C)=N\NC(Cc(ccc(c2OC)OC)c2)=O,0.0
80424,CO-ADD:0154329,-12.77,NC(C(C#N)=C1C2=CC=CC=C2)=NC(NCCCCC3CCN(CC4=CC=CC=C4)CC3)=C1C#N,0.0
80425,CO-ADD:0161950,-12.77,N(C(=O)c1ccc(cc1)C)N(c2ccccc2)c3ccccc3,0.0
80426,CO-ADD:0161702,-12.77,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c2cc(Cl)ccc2O,0.0
80427,CO-ADD:0161998,-12.77,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(CCBr)c1CBr,0.0
80428,CO-ADD:0161875,-12.77,c1(c(\C=N\NC(CNc2c(Br)cc(cc2Br)C)=O)ccc(OC)c1OC)C(O)=O,0.0
80429,CO-ADD:0217531,-12.78,c1(c(Br)cc(cc1\C=N\NC(=O)c(c2)cc(cn2)Br)Br)OC(=O)c(cc3OC)cc(c3OC)OC,0.0
80430,CO-ADD:0158215,-12.78,O=C(CSCC1=CC=C(C=C1)Cl)N/N=C/C(C(OC)=C2)=CC=C2OC,0.0
80431,CO-ADD:0163692,-12.78,C(F)(F)(C(F)(F)COc1ccccc1\N=C\c(c(O)ccc2[N+](=O)[O-])c2)C(F)(F)C(F)F,0.0
80432,CO-ADD:0157411,-12.78,O=C(COC1=CC=C2C=CC=CC2=C1)N/N=C/C3=CC=C4C=CC=CC4=C3,0.0
80433,CO-ADD:0157652,-12.79,N#CC1=C(N=C(C2=CC=CS2)C=C1C(C=C3)=CC=C3Cl)SCC(NC4=NN=C(CC)S4)=O,0.0
80434,CO-ADD:0155685,-12.79,[O-][N+](C1=CC([N+]([O-])=O)=CC=C1OC(C(OCC)=C2)=CC=C2/C=N/C3=CC=C4OC(C5=CC=C(Br)C=C5)=NC4=C3)=O,0.0
80435,CO-ADD:0158053,-12.79,ClC1=C(C(Cl)=CC(Cl)=C1)N2N=C3CCCCC3=C2C4=CC=CC(F)=C4,0.0
80436,CO-ADD:0157669,-12.79,S=C(NC1=O)NC(C1=CC(C=C2)=CC=C2Cl)=O,0.0
80437,CO-ADD:0160443,-12.79,BrC1=C(OC)C=CC(/C=N/C2=CC(N=C(C(C=C3)=CC=C3I)O4)=C4C=C2)=C1,0.0
80438,CO-ADD:0160519,-12.8,O=C(C1C2C(C=CC=C3)=C3C(C4=C2C=CC=C4)C51)N(C(C=CC=C6)=C6C(OC)=O)C5=O,0.0
80439,CO-ADD:0160229,-12.8,O[C@@]([C@@]([H])1O)([H])[C@@](NC2=CC=CC=C2N[C@](O[C@@](C)([H])C3)([H])[C@](O)([H])[C@@]3([H])O)([H])O[C@](C)([H])[C@]1([H])O,0.0
80440,CO-ADD:0160222,-12.81,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C3=CC(I)=CC=C3)=NC(N4CCOCC4)=N2)=O,0.0
80441,CO-ADD:0160638,-12.81,N#CCN(C1=NON=C1C)/N=N/C2=NON=C2C,0.0
80442,CO-ADD:0160254,-12.81,O=C(C)OC(C)(C)C(/C=C/C1=CC=CC=C1)=O,0.0
80443,CO-ADD:0156405,-12.81,ClC(N(C1=CC=CC=C1)N=C2C)=C2/C=N/NC(C3=NC=C(CC)C=C3)=O,0.0
80444,CO-ADD:0156394,-12.81,N#CC1=C(Cl)C(Cl)=C(N2CCCCC2)N=C1Cl,0.0
80445,CO-ADD:0155790,-12.81,[O-][N+](C1=C(C)C(C2=CC=C(/C=N/C3=C(C(C(Cl)=C4)=CC=C4Cl)N=C5N3C=CC=C5)O2)=CC(C)=C1)=O,0.0
80446,CO-ADD:0155610,-12.82,O=C(NC1=C/2C=CC=C1)C2=N/NC(CNC3=CC(C)=CC=C3)=O,0.0
80447,CO-ADD:0155650,-12.82,NC1=NON=C1/C(NC)=N\OCC,0.0
80448,CO-ADD:0155779,-12.82,O=C(NCCCN1CCOCC1)C(C=C2)=CC=C2C.Cl,0.0
80449,CO-ADD:0162881,-12.82,C(=O)(N\N=C\c1ccccc1OCCCCCCC)C(OC)c2ccccc2,0.0
80450,CO-ADD:0162905,-12.82,N1(CNc2c(C)cccc2C)C(=O)\C(\SC1=S)=C/c(cc3)ccc3OC,0.0
80451,CO-ADD:0154445,-12.83,O=C(O)N1C2=C(C=CC=C2)C=C1,0.0
80452,CO-ADD:0154400,-12.83,NNCCCC1=CNC2=C1C=CC=C2.O=C(/C=C/C(O)=O)O,0.0
80453,CO-ADD:0154409,-12.83,O=C(C1=CC=CC=C1)N/C(C(OC)=O)=CC2=CC=C(C=C2)[N+]([O-])=O,0.0
80454,CO-ADD:0154434,-12.83,O=C(N/N=CC1=CC=CC=C1)CC2=CNC3=C2C=CC=C3,0.0
80455,CO-ADD:0217287,-12.84,c1(SCC(=O)Nc2ccccc2)ccc(\C=N\NC(CCCCCCC)=O)o1,0.0
80456,CO-ADD:0216816,-12.84,c1(c2ccc(cc2)Cl)nc(sc1c3ccccc3)N\N=C\c4ccccc4OC,0.0
80457,CO-ADD:0216832,-12.84,C(c1ccccc1)(=O)Oc(cc2)ccc2\C=N\N(C)C,0.0
80458,CO-ADD:0158287,-12.84,O=C(NC1=C(C=CC=C2)C2=CC=C1)C3=C(C)OC(C4=CC=CC=C4)=C3,0.0
80459,CO-ADD:0158295,-12.85,O=C(C(C)(C)C)CC1(C)SC(C2=CC=CC=C2O)=NN1,0.0
80460,CO-ADD:0158311,-12.85,O=S(NC1=NC=CC(C)=C1)(C2=CC=C(N)C=C2)=O,0.0
80462,CO-ADD:0217451,-12.86,c1(c(OC)cc(c(\C=N\NC(=O)c(cccn2)c2)c1)OC)[N+](=O)[O-],0.0
80463,CO-ADD:0217463,-12.86,c1(\C=N\NC(COc(cc2)ccc2C(C)(C)CC(C)(C)C)=O)cc(OCC)ccc1O,0.0
80464,CO-ADD:0157717,-12.86,O=C(N(C)C(C(C1=O)=CNC2=C(C(OCC)=O)C(C(C=C3OC)=CC=C3OC)=CS2)=O)N1C,0.0
80465,CO-ADD:0157713,-12.86,[O-][N+](C(C(SCCO)=C1)=CC=C1N2CCOCC2)=O,0.0
80466,CO-ADD:0157732,-12.86,O=C(N/N=C/C1=CC=CC=C1OCC2=CC=C(Cl)C=C2)CC3=C(C=CC=C4)C4=CC=C3,0.0
80467,CO-ADD:0155237,-12.87,N#CC1(C#N)C(N)=C(C2=CCCCC2C1C(C=C3OC)=CC=C3OC)C#N,0.0
80468,CO-ADD:0155718,-12.87,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCC(N/N=C/C3=C(C)NC4=C3C=CC=C4)=O,0.0
80469,CO-ADD:0155222,-12.87,O=C(C1=CC=CO1)N/N=C/C2=CC=C(C(C=C3)=CC=C3Br)O2,0.0
80470,CO-ADD:0161150,-12.87,c1(c(Cl)ccc(c1)c2ccc(\C=N\NC(=O)c(cc3)ccc3C(=O)N\N=C\c(ccc4c(ccc(c5C(O)=O)Cl)c5)o4)o2)C(O)=O,0.0
80471,CO-ADD:0160247,-12.87,C#CCOC(C1=CC=CC=C1C(NC2=CC=C(Br)C=C2)=O)=O,0.0
80472,CO-ADD:0160647,-12.87,O[C@H]1[C@H](NC(C=C2)=CC=C2Br)OC[C@@H](O)[C@@H]1O,0.0
80473,CO-ADD:0155954,-12.87,O=C(C1)N(C(C=C2)=CC=C2Br)CC1C(NC3=CC=CC(Cl)=C3C)=O,0.0
80474,CO-ADD:0155962,-12.88,O=C(NC1=CC(N=C(C2=CC(C)=C(C)C=C2)O3)=C3C=C1)C4=C(Cl)C=C(Cl)C=C4,0.0
80475,CO-ADD:0156291,-12.88,IC1=C(O)C(/C=N/NC2=NC(NC3=CC=CC=C3)=NC(NC4=CC=CC=C4)=N2)=CC(I)=C1,0.0
80476,CO-ADD:0156187,-12.88,O=C(N/N=C/C1=CC(Cl)=CC=C1)C(C)OC2=CC=C(Br)C=C2,0.0
80477,CO-ADD:0156280,-12.88,N#CC1(C(C2=CC=CC=C2)=O)C3N(C(C#N)C1C4=CC=CC=C4)C(C=CC(I)=C5)=C5C=C3,0.0
80478,CO-ADD:0155808,-12.89,O=S(C(C(N1)=O)=C(C)NC1=O)(NC2=CC(C(O)=O)=CC=C2)=O,0.0
80479,CO-ADD:0155608,-12.89,O=C(C(C=C1)=CC=C1NC(C(C=C2)=CC=C2NC(CCCCCCC)=O)=O)NC(C(C)=C3)=CC=C3Cl,0.0
80480,CO-ADD:0155772,-12.89,O=C(NC1=C(C=CC=C1)C(N)=O)C2=CC=CC(C(NC3=C(C=CC=C3)C(N)=O)=O)=C2,0.0
80481,CO-ADD:0154442,-12.89,O=C(NNCC1=CC=C(C)C=C1)C2=CC3=C(N2C)C=CC=C3,0.0
80482,CO-ADD:0154299,-12.9,NC(OC1=C2C=CC3=C1C=CC=C3)=C(C2C4=C(Cl)C=CC=C4Cl)C#N,0.0
80483,CO-ADD:0162527,-12.9,N(\C(=C/c(cc1)ccc1OC(C)=O)\C(O2)=O)=C2c(cc3)ccc3C(C)(C)C,0.0
80484,CO-ADD:0154504,-12.9,O=C1N(C)C(SC)=NC12CC2C3=CC=CC=C3,0.0
80485,CO-ADD:0154534,-12.91,CC(C=CC=C1)=C1C=C(C#N)C#N,0.0
80486,CO-ADD:0164510,-12.91,CC(N)C12CC3CC(CC(C3)C1)C2.Cl,0.0
80487,CO-ADD:0164769,-12.91,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,0.0
80488,CO-ADD:0164825,-12.92,Cn1ccnc1S,0.0
80489,CO-ADD:0164833,-12.92,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,0.0
80490,CO-ADD:0164873,-12.92,N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1,0.0
80493,CO-ADD:0158070,-12.93,[O-][N+](C(C=C1)=CC=C1N2C(/C=N/NC(C3=CC=CC(C)=C3)=O)=CC=C2)=O,0.0
80494,CO-ADD:0157710,-12.93,N#CC(C(SCC(OCC)=O)=NC(C)=C1)=C1C(F)(F)F,0.0
80495,CO-ADD:0155223,-12.93,O=C(C1=CC=CO1)N/N=C/C2=CC=C(C(C=C3)=CC=C3Cl)O2,0.0
80496,CO-ADD:0155320,-12.93,O=C(C1=CC(C)=CC=C1)NC2=CC=C(C=C2)C(NC3=CC=CC=C3C)=O,0.0
80497,CO-ADD:0155344,-12.94,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC3=NC=C(Cl)C=C3,0.0
80498,CO-ADD:0155264,-12.94,O=C1CN(C(C2=CC=CC=C2)=O)C(C3=C(Cl)C=C(Cl)C=C3)N1O,0.0
80499,CO-ADD:0160120,-12.94,O=C(CSN1C(C2=CC=CC=C2)=NN=N1)C3=NON=C3C,0.0
80500,CO-ADD:0155970,-12.95,O=C(NC1=CC=CC(C(O2)=NC3=C2C=C(C)C(C)=C3)=C1)C4=C(Cl)C=C(Cl)C=C4,0.0
80501,CO-ADD:0156002,-12.95,O=C(NC(C=C1)=CC=C1OCCCCC)C2=C(Cl)C3=CC=CC=C3S2,0.0
80502,CO-ADD:0159906,-12.95,O=C(COC1=C(C)C=C(C)C=C1)N/N=C/C2=CC=C(I)O2,0.0
80503,CO-ADD:0159824,-12.95,FC1=CC=CC=C1N(C(C2=CC(OC)=CC=C2)C3)N=C3C(C=C4)=CC=C4Br,0.0
80504,CO-ADD:0159745,-12.95,[O-][N+](C(C=C1)=CC=C1C(N/N=C(C2=C3C=CC(Br)=C2)/C(N3)=O)=O)=O,0.0
80505,CO-ADD:0156292,-12.95,O=C(C1=C2C=CC(OC3=CC(N)=CC=C3)=C1)N(C(C=C4)=CC=C4C)C2=O,0.0
80506,CO-ADD:0156300,-12.95,[O-][N+](C(C=C1)=CC=C1C(CSC2=NC3=CC=C(OCC)C=C3S2)=O)=O,0.0
80507,CO-ADD:0158757,-12.95,O=C(N/N=C/C1=CC=C(Br)C=C1)CC2=NN=C(N)S2,0.0
80508,CO-ADD:0158710,-12.96,N#CC1=C(N)SC(N)=C(C#N)C1C2=CC=CO2,0.0
80509,CO-ADD:0154888,-12.96,N#CC1=C(SCC2=CC=CC=C2)N=C3C(CCCC3)=C1C(C=C4)=CC=C4Cl,0.0
80510,CO-ADD:0155912,-12.96,N#CC1=C(SCC2=CC=C(F)C=C2)N=C(N)N=C1SC,0.0
80511,CO-ADD:0154291,-12.96,CC1=NN(C2=CC=CC=C2)C3=C1C(NCC4=CC=CC=C4)=NC=N3,0.0
80512,CO-ADD:0161409,-12.96,C(F)(F)(COc1ccccc1NC(=O)Nc2cccc(cccc3)c23)C(F)F,0.0
80513,CO-ADD:0161761,-12.97,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc(cc2)ccc2\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O,0.0
80514,CO-ADD:0161229,-12.98,N1(c2ccccc2)C(\C=C\c(c3)c(c4)c(n3C)ccc4S(=O)(=O)N(CC)CC)=Nc(c5C1=O)cccc5,0.0
80515,CO-ADD:0161429,-12.98,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Oc(cccc3NC(=O)c4ccc(cc4)Br)c3,0.0
80516,CO-ADD:0161801,-12.98,c(Nc(cc1)ccc1OC)(nc(N\N=C\c2cccc(Cl)c2)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
80517,CO-ADD:0217637,-12.98,C(=O)(N\N=C\c1cc(OC)ccc1OC)C(C)Oc2cccc(cccn3)c23,0.0
80518,CO-ADD:0217397,-12.99,C(=O)(Oc1ccc(cc1OC)\C=N\NC(c(cc2)ccn2)=O)c3ccco3,0.0
80519,CO-ADD:0217461,-12.99,C(=O)(Oc1cccc(c1)\C=N\NC(=O)C(O)c2ccccc2)c3ccco3,0.0
80520,CO-ADD:0217004,-12.99,C(CSCc1ccccc1C)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
80521,CO-ADD:0217532,-12.99,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2ccccc2OC)=O)N3CCCC3)c1,0.0
80522,CO-ADD:0217548,-12.99,c1(cc(Cl)cc(\C=N\c(cc2)ccc2c3sc(c4n3)ccc(C)c4)c1O)[N+](=O)[O-],0.0
80523,CO-ADD:0157889,-13.0,O=C(C1)C2=C(C3=CC=C(Br)C=C3)C(C(OCC)=O)=C(C)N=C2CC1(C)C,0.0
80524,CO-ADD:0157905,-13.0,[O-][N+](C1=CC=C(/C=N/NC(C(OC2=CC=CC=C2)OC3=CC=CC=C3)=O)S1)=O,0.0
80525,CO-ADD:0157602,-13.0,O=C(N/N=C/C1=CC=CO1)COC2=C(Br)C=C(Br)C=C2OC,0.0
80527,CO-ADD:0155073,-13.01,O=C1NC(C(CCCCC(OCC)=O)=O)=C(CSC2=NC(N)=C3N=CNC3=N2)N1,0.0
80528,CO-ADD:0154994,-13.01,N#CC(C(C(F)(F)F)=C1)=C(SCC(C2=CC=C(C=C2)[N+]([O-])=O)=O)N=C1C3=CC=CS3,0.0
80529,CO-ADD:0155698,-13.01,O=C(NC1=CC=C(C)C=C1)C2C(C(C=C3)=CC=C3C)(C4=CC=C(C)C=C4)C2,0.0
80530,CO-ADD:0155042,-13.01,[O-][N+](C1=CC(SCC(CO)O)=CC(OCC(F)(F)C(F)F)=C1)=O,0.0
80531,CO-ADD:0155195,-13.01,O=C(CCC(OCCC1=CC=CC=C1)=O)N(C=N2)C3=C2C=C(C)C(C)=C3,0.0
80532,CO-ADD:0159825,-13.02,FC(F)(F)C1=CC=CC(N(C(C2=CC=CC(OC)=C2)C3)N=C3C4=CC=C(Br)C=C4)=C1,0.0
80533,CO-ADD:0160026,-13.02,COC1=CC=C(C=C1)/C=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCCCC4)=N2,0.0
80534,CO-ADD:0159778,-13.02,O=S(OC1=CC=C(C=C1)C2=NC(C=CC=C3)=C3N=C2)(C4=CC=CC=C4)=O,0.0
80535,CO-ADD:0160090,-13.02,O=S(NC(N=C1)=CC=C1Br)(C2=CC=CC=C2)=O,0.0
80536,CO-ADD:0159893,-13.03,O=C(C(C=C1)=CC=C1F)OC2=CC=C(C=C2)C3=NC(C=CC=C4)=C4N=C3,0.0
80537,CO-ADD:0160010,-13.03,CC1=CC2=C(C=C1)N=C(C(C=C3)=CC=C3/N=C/C4=CC(OCO5)=C5C=C4)O2,0.0
80538,CO-ADD:0155096,-13.04,N#CC1(C#N)[C@]2([H])N([C@H](C(C3=CC=CC=C3)=O)[C@H]1C4=CC=C(Br)C=C4)C(C=CC(Cl)=C5)=C5C=C2,0.0
80539,CO-ADD:0155272,-13.04,O=C(C1=CC=CN=C1)NC2=NC(C)=C(C(OCC)=O)S2,0.0
80540,CO-ADD:0155876,-13.04,S=C(OC1=CC=C(C=C1)C(NC2=C(C)C(C)=CC=C2)=O)NC3=CC=C(Br)C=C3,0.0
80541,CO-ADD:0156236,-13.04,O=C(C/C(C)=N/NC(COC(C=C1)=CC=C1OC)=O)NC2=CC(Cl)=CC=C2C,0.0
80542,CO-ADD:0156044,-13.05,[O-][N+](C1=CC(/C=N/C2=CC=C3OC(C4=C(Cl)C=C(Cl)C=C4)=NC3=C2)=C(O)C=C1)=O,0.0
80543,CO-ADD:0161426,-13.05,S(=O)(=O)(N(CC1)CCO1)c2c(C)ccc(c2)C(=O)Oc(cccc3NC(=O)c4ccc(cc4)Br)c3,0.0
80544,CO-ADD:0161206,-13.06,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C/Nc(cc3)ccc3S(=O)(=O)Nc(cc4)ccc4OCC,0.0
80545,CO-ADD:0162140,-13.06,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C(\C2)/CCCCC2)c3ccc(cc3C)Cl,0.0
80546,CO-ADD:0162872,-13.06,c1(ccc(cc1OC)OC)C(=O)N\N=C(/C)\CC(=O)Nc(cc2)ccc2C(C)C,0.0
80547,CO-ADD:0162394,-13.06,c1(c(Br)cc(cc1Br)C)NCC(=O)N\N=C(/C)\c2ccc(cc2OC)OC,0.0
80548,CO-ADD:0162866,-13.06,C(/O)(\c1ccc(cc1)Br)=C/C=N/c2cccc(Cl)c2,0.0
80549,CO-ADD:0217677,-13.06,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(COc(cc2)ccc2C(C)CCC)=O,0.0
80550,CO-ADD:0216909,-13.07,c1(ccc(C(=O)Oc(cc2)ccc2\C=N\c3ccccc3C)o1)[N+](=O)[O-],0.0
80551,CO-ADD:0158136,-13.07,O=C(C1=CC=C(Br)C=C1)OC(C=C2)=CC=C2/C=N/NC(C3=CC(OCO4)=C4C=C3)=O,0.0
80552,CO-ADD:0158003,-13.07,NC1=C(C(C2=CC=C(C)C=C2)=O)SC3=NC(C4=CC=CC=C4)=CC(C(C=C5)=CC=C5OC)=C13,0.0
80553,CO-ADD:0157598,-13.08,FC(C(F)(F)COC1=C(C=CC=C1)/N=C/C2=C(O)C(Br)=CC(Br)=C2)(F)C(F)(F)C(F)([H])F,0.0
80554,CO-ADD:0157622,-13.08,O=C(/C(NC(C1=CC=CC=C1)=O)=C\C2=CC=CC=C2)N(CCC3)C3C(O)=O,0.0
80555,CO-ADD:0157894,-13.08,[O-][N+](C1=CC(C)=CC(/C=N/C2=C(C)C=C(C)C=C2)=C1O)=O,0.0
80556,CO-ADD:0157918,-13.08,N1(CCN(C/C=C/C2=CC=CC=C2)CC1)CC#CC3=CC=CC=C3.Cl.Cl,0.0
80557,CO-ADD:0157869,-13.09,[O-][N+](C1=CC=CC(C(OC/2=O)=NC2=C/C3=CC=C(C(Br)=C3)OC)=C1)=O,0.0
80558,CO-ADD:0163277,-13.09,[N+](=O)([O-])c1cc(C)ccc1OCC(=O)N\N=C(/CC)\c2ccccc2,0.0
80559,CO-ADD:0163309,-13.09,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C(/CC)\c2ccccc2,0.0
80560,CO-ADD:0163069,-13.1,C(/C#N)(=N/Nc(cc1)ccc1OC)\C(=N)SCc2ccccc2,0.0
80561,CO-ADD:0163230,-13.1,c1(\C=N\NC(COc2c(C)cccc2C)=O)cc(Br)ccc1O,0.0
80562,CO-ADD:0158603,-13.1,O=C(C1=C2C=CC(OC3=CC=C(C=C3)C(O)=O)=C1)N(C4=CC=C(OC)C=C4)C2=O,0.0
80563,CO-ADD:0158379,-13.11,ClC1=C(C=CC=C1)C(N2C3=CC(C)=CC=C3)N(CC2)C4=CC=CC(C)=C4,0.0
80564,CO-ADD:0157259,-13.11,O=C(C1=CC=CC(F)=C1)N/N=C(C)/C(C=C2)=CC=C2OCC3=CC=C(C=C3)Cl,0.0
80565,CO-ADD:0158451,-13.12,O=S(NC1CCCCC1)(C2=CC=CC(C(NC(C=CC=C3)=C3C)=O)=C2)=O,0.0
80566,CO-ADD:0158219,-13.12,O=C(C(C=C1)=CC=C1NC(C)=O)N/N=C(C)/C2CC2,0.0
80567,CO-ADD:0155186,-13.12,O=C(N/N=C(C)/C1=CC=C(C)O1)C(C=CC=C2)=C2O,0.0
80568,CO-ADD:0159850,-13.12,O=C(C1[C@](C2=CC=CC=C32)(/C=N/C(C=C4)=CC=C4OC)C5=CC=CC=C5[C@@H]3C61)N(C(C=CC=C7)=C7Cl)C6=O,0.0
80569,CO-ADD:0160617,-13.13,N#CC1=C(N)OC(C=C2O)=C(C=C2)C1C3=CC=CC4=CC=CC=C34,0.0
80570,CO-ADD:0160241,-13.13,N#CCSC(N1CC2=CC([N+]([O-])=O)=C(OC)C=C2)=C([N+]([O-])=O)N=C1C,0.0
80571,CO-ADD:0160146,-13.13,O=C(O)C1=CC(Br)=CC=C1NC(COC2=CC=C(OC)C=C2)=O,0.0
80572,CO-ADD:0156020,-13.13,O=C1C2=C(C3=C1C=CC=C3)C(C(N4CCCCCC4)=O)=CC=C2,0.0
80573,CO-ADD:0160242,-13.13,O=C(C)C1=CC(CN2CCCCC2)=C(OCCCC)C=C1.Cl,0.0
80574,CO-ADD:0155943,-13.13,OC(C(CN1CCN(C2=CC=CC=C2)CC1)=C3)=CC=C3C(C)(C)CC(C)(C)C,0.0
80575,CO-ADD:0155939,-13.14,N#C/C(C1=NC2=CC=CC=C2N1)=C\C(C(F)=CC=C3)=C3Cl,0.0
80576,CO-ADD:0156519,-13.14,O=C(N/N=C/C1=CC(OC)=C(O)C=C1)CCN2N=NC3=C2C=CC=C3,0.0
80577,CO-ADD:0156231,-13.14,O=S(C1=CC(S(NCC2=CC=CC=C2)(=O)=O)=CC=C1)(NCC3=CC=CC=C3)=O,0.0
80578,CO-ADD:0155177,-13.14,O=C(C1=C2C=CC(C(NC3=CC=CC(I)=C3)=O)=C1)N(C4=CC=CC(C(NC5=CC(I)=CC=C5)=O)=C4)C2=O,0.0
80579,CO-ADD:0155857,-13.15,O=C(C(NCCN1CCOCC1)=O)NC(C)C2=CC=CC=C2,0.0
80580,CO-ADD:0162786,-13.15,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)Nc2ccc(cc2C)C,0.0
80581,CO-ADD:0162415,-13.15,C(=O)(N(CC)CC)c1ccc(cc1)NC(=O)c2ccc(cc2)NC(CCCCC)=O,0.0
80582,CO-ADD:0162133,-13.15,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NC(=O)CC#N,0.0
80583,CO-ADD:0162429,-13.15,C(=O)(Nc(cccc1NC(=O)N2CCC(CC2)C)c1)N3CCC(CC3)C,0.0
80584,CO-ADD:0162845,-13.16,C(F)(F)(C(F)(F)C(F)(F)F)C(OC(=O)Nc(ccc(c1Cl)OC)c1)(C(F)(F)F)C(F)(F)F,0.0
80585,CO-ADD:0161930,-13.16,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c4ccc(cc4O)O,0.0
80586,CO-ADD:0215020,-13.16,N1(c2ccccc2O)C(=O)c3c(cc(cc3)Oc(ccc(c4C5=O)C(N5c6ccccc6O)=O)c4)C1=O,0.0
80587,CO-ADD:0215036,-13.16,C(CN(CN1C(C)=O)CN2C(C)=O)(C(=O)c(cc3)ccc3[N+](=O)[O-])(C2)C1,0.0
80588,CO-ADD:0215461,-13.16,C(CSCc1ccccc1Br)(=O)N\N=C\c2ccccc2F,0.0
80589,CO-ADD:0217717,-13.16,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2C(C)C)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4Cl,0.0
80590,CO-ADD:0164921,-13.17,CN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,0.0
80591,CO-ADD:0164456,-13.17,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,0.0
80592,CO-ADD:0164914,-13.17,CC(=C)CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O.O.Cl,0.0
80593,CO-ADD:0158291,-13.17,O=C(CSC1=NC(C=CC=C2)=C2S1)C3=CC4=C(C(C=CC=C5)=C5C4)C=C3,0.0
80594,CO-ADD:0157996,-13.17,N#CC1=C(N)SC(N)=C(C#N)C1C2=CC=C(C=C2)[N+]([O-])=O,0.0
80595,CO-ADD:0154572,-13.17,ClCC1=CC=C(O)C2=C1C=CC=N2,0.0
80596,CO-ADD:0154569,-13.17,ClCC1=CC=NC=C1.Cl,0.0
80597,CO-ADD:0157078,-13.17,FC(F)(F)C1=CC(C)=NC2=C1C(Br)=NS2,0.0
80598,CO-ADD:0157086,-13.17,N#CC1=C(S/C2=C\C3=CC=CS3)N(C2=O)C(N)=C(C#N)C1C4=CC=CS4,0.0
80599,CO-ADD:0157326,-13.18,O=C1/C(N=C(C(C=C2)=CC=C2I)O1)=C/C(C=C3)=CC=C3C,0.0
80600,CO-ADD:0157247,-13.18,OC1=CC=CC=C1/C=N/C2=CC=C3C(N=C(C(C=C4)=CC=C4C(C)(C)C)O3)=C2,0.0
80601,CO-ADD:0157063,-13.18,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C(C=C3Br)=CC=C3F,0.0
80602,CO-ADD:0157288,-13.18,O=C(C1=CC=CC=C1)NC(CCC)C(OCC2=CN=C(C3=CC=CC=C3)O2)=O,0.0
80603,CO-ADD:0155330,-13.18,O=C(C1=CC=C(C)C=C1)NC2=NN=C(CCCCC)S2,0.0
80604,CO-ADD:0155250,-13.18,NC1=NC(C2=C(F)C=C(F)C=C2)=CS1,0.0
80605,CO-ADD:0155667,-13.18,N#CC1=C(N/N=C/C2=CC=CC=C2O)N=C(C)C=C1COC,0.0
80606,CO-ADD:0155219,-13.19,NN1C(N/N=C/C2=CC=CO2)=NN=C1,0.0
80607,CO-ADD:0155227,-13.19,IC1=CC(C)=CC(/C=N/C2=CC(N=C(C3=CC=C(Cl)C=C3)O4)=C4C=C2)=C1O,0.0
80608,CO-ADD:0155076,-13.19,N#CC1=C(OC)N=C(N)C(C(OC)=N)=N1,0.0
80609,CO-ADD:0158579,-13.19,O=C(N/N=C(C)/C1=CC=CC(N)=C1)COC2=C(Br)C=C(C)C=C2Br,0.0
80610,CO-ADD:0158628,-13.2,O=C(C1=C2C=CC=C1[N+]([O-])=O)N(C3=CC(C(OCCCC)=O)=CC=C3)C2=O,0.0
80611,CO-ADD:0158696,-13.2,OC1=C(C=CC(/N=C/C(C=C2)=CC=C2OCC3=CC=CC=C3)=C1)C4=NC(C=CC=C5)=C5O4,0.0
80612,CO-ADD:0158528,-13.2,CC1=CC(C)=CC=C1NC2=NC(N/N=C(C)\C3=CC=CC=C3)=NC(NC4=CC=CC=C4)=N2,0.0
80613,CO-ADD:0155525,-13.2,FC(F)(F)C(C=C1)=CC(/N=C/C2=C(O)C=CC(Br)=C2)=C1OC(C=CC=C3)=C3F,0.0
80614,CO-ADD:0158519,-13.2,ClC1=CC=CC(/C=N\NC2=NC(N3CCOCC3)=NC(NC4=CC=CC5=CC=CC=C45)=N2)=C1,0.0
80615,CO-ADD:0155113,-13.2,N#CC(C(C(F)(F)F)=C1)=C(SCC(N)=O)N=C1C(F)(F)F,0.0
80616,CO-ADD:0155129,-13.2,[O-][N+](C(C=C(OCO1)C1=C2)=C2/C=C3N=C(C(C=C4)=CC=C4F)OC\3=O)=O,0.0
80617,CO-ADD:0155137,-13.2,O=C(N/N=C/C1=CC=CC=C1Cl)C2=CC(C)=NN2,0.0
80618,CO-ADD:0156421,-13.21,CC1=CC=C(C=C1)/N=C/C2=CC=C(O2)SC3=NC(C=CC=C4)=C4S3,0.0
80619,CO-ADD:0155917,-13.21,[O-][N+](C1=CNN=C1C2=CN(C(N=C2)=C3)NC3=O)=O,0.0
80620,CO-ADD:0155085,-13.21,N#CC1(C#N)C(N)=C(C2=CCN(C)C[C@]2([H])[C@H]1C3=CC=CS3)C#N,0.0
80621,CO-ADD:0162790,-13.21,C(=O)(C\C(\C)=N/NC(=O)c1cccc(Cl)c1)Nc2ccccc2CC,0.0
80622,CO-ADD:0162898,-13.21,N(/c(cc1)ccc1C(C)=O)=C\c(cc2)ccc2OCc3ccccc3,0.0
80623,CO-ADD:0162075,-13.21,C(C(O)=O)(C(O)=O)Cc1ccc(c2c1Br)cccc2,0.0
80624,CO-ADD:0162131,-13.21,S(=O)(=O)(c1ccc(c2c1)cccc2)N(CC3)CCN3CCNC(=O)C(=O)Nc(cc4)ccc4C,0.0
80625,CO-ADD:0154362,-13.21,CC(OC(N)=C(C1C2=CC=CC=C2)C#N)=C1C(N([C@H]3C45CC[C@@H](C4(C)C)C3)S(C5)(=O)=O)=O,0.0
80626,CO-ADD:0162473,-13.22,c1(C(NCCCNc(cc2)ccc2[N+](=O)[O-])=O)cc(F)c(cc1Cl)F,0.0
80627,CO-ADD:0215053,-13.22,N1(c2ccc(cc2)Oc3ccccc3)C(=O)c4c(cc(cc4)Oc(cccc5[N+](=O)[O-])c5)C1=O,0.0
80628,CO-ADD:0215219,-13.22,c1(N(CC)CC)nc(N\N=C\c(c(O)ccc2[N+](=O)[O-])c2)nc(Nc3cc(C)ccc3C)n1,0.0
80629,CO-ADD:0164922,-13.22,C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,0.0
80630,CO-ADD:0158212,-13.22,O=C(CSCC1=CC=C(C=C1)Cl)N/N=C/C2=CC(OC)=CC=C2OC,0.0
80632,CO-ADD:0163270,-13.23,N(\C(=C/C(/C)=C/c(cc1)ccc1\C=C(/C)\C=C(\C2=O)/N=C(O2)c(ccc(c34)OCO3)c4)\C(O5)=O)=C5c(ccc(c67)OCO6)c7,0.0
80633,CO-ADD:0155308,-13.23,S=C(NC1=CC(C=CC=C2)=C2C=C1)OC3=CC(C(NC4=C(C=CC=C5)C5=CC=C4)=O)=CC=C3,0.0
80634,CO-ADD:0155340,-13.23,O=C(COC1=CC=C(CC)C=C1)NCC2=C(C=CC=C3)C3=CC=C2,0.0
80635,CO-ADD:0155356,-13.23,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NCC(N/N=C/C3=C(O)C(C)=CC=C3)=O,0.0
80636,CO-ADD:0158490,-13.24,O=C1C(C=CC=C2)=C2N(CC(N/N=C/C3=CC=C(C=C3)F)=O)C4=C1C=CC=C4,0.0
80637,CO-ADD:0159782,-13.24,O=S(N=C1NC2=C(OC)C=CC(OC)=C2)(C3=C1C=CC([N+]([O-])=O)=C3)=O,0.0
80638,CO-ADD:0155387,-13.24,O=C(NC1=CC=CC=C1)C(NCCCO)=O,0.0
80639,CO-ADD:0158543,-13.24,O=C(N/N=C/C1=C(O)C=CC(OC)=C1)CN2N=NC3=C2C=CC=C3,0.0
80640,CO-ADD:0158540,-13.25,O=C(N/N=C/C1=C(O)C=C(O)C=C1)CN2N=NC3=C2C=CC=C3,0.0
80641,CO-ADD:0158778,-13.25,O=C(O1)C(C(OC)=O)=CC2=C1C=CC(Br)=C2,0.0
80642,CO-ADD:0155759,-13.25,O=C1N(C2=CC=CC(C(OC)=O)=C2)C(C3C4C(C=CC=C5)=C5C(C6=C4C=CC=C6)C13)=O,0.0
80643,CO-ADD:0155125,-13.26,O=C(O)C1=C(C)OC2=CC(Br)=C(OC)C=C12,0.0
80644,CO-ADD:0155365,-13.26,O=C(CNC1=CC(C)=CC=C1)N/N=C(C)/C(C=C2)=CC=C2O,0.0
80645,CO-ADD:0155157,-13.26,O=C(N/N=C/C(C)=C/C1=CC=CO1)C2=CC=CC=N2,0.0
80646,CO-ADD:0155154,-13.26,N#CC1(C#N)C(N)=C(C2=CCCCC2C1C3=CC(OC)=C(C(OC)=C3)OC)C#N,0.0
80647,CO-ADD:0155179,-13.27,O=C(C1=CC(C(OC(C=C2)=CC=C2OC3=CC=C(C=C3)OC(C4=CC=C5C(N(C6=CC=CC(C(C)=O)=C6)C(C5=C4)=O)=O)=O)=O)=CC=C71)N(C8=CC=CC(C(C)=O)=C8)C7=O,0.0
80648,CO-ADD:0162521,-13.27,B(C1)(CC(C2)CC3CC12)C3.n(cccc4Cc5ccccc5)c4,0.0
80649,CO-ADD:0154414,-13.27,O=C(C1=CC=CC=C1)N/C(C(O)=O)=C/C2=CC=CC=C2,0.0
80650,CO-ADD:0161746,-13.27,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(cc2)ccc2\C=N\Nc(nc(Nc3ccccc3)nc4Nc(cc5)ccc5[N+](=O)[O-])n4)nc6Nc7ccccc7)n6,0.0
80651,CO-ADD:0161786,-13.27,C(CNc(cc1)ccc1C)(=O)N\N=C\c(cccn2)c2,0.0
80652,CO-ADD:0161363,-13.27,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCc(ccc(c3Cl)Cl)c3)c4cccs4,0.0
80653,CO-ADD:0161758,-13.28,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(cc2)ccc2I)nc3Nc(cc4)ccc4OC)n3,0.0
80654,CO-ADD:0215227,-13.28,N1\C(=N/N=C/c(ccc(c2Br)OC)c2)\S\C(=C\c(ccc(c3Br)OC)c3)\C1=O,0.0
80655,CO-ADD:0215235,-13.28,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2ccccc2OC)=O)O)c1,0.0
80656,CO-ADD:0217766,-13.28,C(c1ccccc1)(=O)NC(CC(C)C)C(=O)N\N=C\C=C/c2ccccc2,0.0
80657,CO-ADD:0215024,-13.28,[C@]12(C)C([C@H](CC(C([C@@]34C)CC[C@@]3(C(C)=O)OC(C)=O)C1CC4)C)=CC(=O)CC2,0.0
80658,CO-ADD:0158133,-13.28,O=C(NC[C@H](C1)[C@@H]2C(C3)[C@@H]3[C@H]1C2)C(C(Cl)=C4)=CC=C4Cl,0.0
80659,CO-ADD:0158277,-13.28,O=C(NC1=CC=C(Br)C=C1)CCCC(N/N=C/C2=CC(Cl)=CC=C2)=O,0.0
80660,CO-ADD:0157974,-13.28,N#CC1=C(N)OC(NN=C2C)=C2C1C3=CC=CO3,0.0
80661,CO-ADD:0157982,-13.28,O=S(OC1=C(Br)C(C)=C(C(S2)=C1Br)OC2=O)(C3=CC=CC=C3)=O,0.0
80662,CO-ADD:0157998,-13.28,N#CC(C(SCC(NC1=CC=C(OC)C=C1)=O)=NC(C)=C2)=C2C(F)(F)F,0.0
80663,CO-ADD:0157000,-13.28,N#CC1=C(SCC(OCC)=O)N=C(CC)C(C)=C1,0.0
80664,CO-ADD:0157599,-13.28,[O-][N+](C1=CC(Cl)=CC(/C=N/C(C=CC=C2)=C2OCC(F)(F)C(F)(F)C(F)(F)C(F)([H])F)=C1O)=O,0.0
80665,CO-ADD:0157615,-13.28,O=C(O/1)C(C(NC(C)=C2)=O)=C2C1=C/C3=CC=C(C(OC)=C3)O,0.0
80666,CO-ADD:0157847,-13.29,[O-][N+](C1=CC(C)=CC(/C=N/C(C(Cl)=C2)=CC=C2C)=C1O)=O,0.0
80667,CO-ADD:0163582,-13.29,[N+](=O)([O-])c1ccccc1\C=N\NC(COc2ccc(cc2Br)OC)=O,0.0
80669,CO-ADD:0161088,-13.3,C1(=C(CCCC1=O)OC(=C23)CCCC2=O)C3c4ccc(cc4)OC,0.0
80670,CO-ADD:0160067,-13.3,[O-][N+](C1=CC=C(C=C1)N2C3(SC(C(OCC)=O)=N2)N(C4=CC=CC=C4)N=C(C5=CC=CC=C5)C6=C3C=CC=C6)=O,0.0
80671,CO-ADD:0160012,-13.3,OC(C(OC)=CC=C1)=C1/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=C(C)C=C4,0.0
80672,CO-ADD:0159756,-13.3,N#CC1(C#N)C(N)=C(C2=CCN(CCC)C[C@@]2([H])[C@]1([H])C3=CC(I)=CC=C3)C#N,0.0
80673,CO-ADD:0159764,-13.31,O=C(O1)C(Br)=C(NCC2=CC=CC=C2)C1CC(C)=O,0.0
80674,CO-ADD:0159988,-13.31,O=C(NC1=CC=CC(C(F)(F)F)=C1)C2C(C)(C)C2C=C(Cl)Cl,0.0
80675,CO-ADD:0156086,-13.31,O=C(COC(C(Cl)=C1)=CC=C1Cl)N/N=C/C2=CC=C(C(OCC)=C2)O,0.0
80676,CO-ADD:0156502,-13.31,O=C(OCCCCCCCCC)NC1=CC(NC(OCCCCCCCCC)=O)=CC=C1C,0.0
80677,CO-ADD:0156182,-13.31,[O-][N+](C1=CC(C(N/N=C(CC2)\C3=C2C=CC=C3)=O)=CC=C1)=O,0.0
80678,CO-ADD:0154876,-13.32,N#CC1=C(N)OC(CCC2)=C(C2=O)C1C3=CC=C(Br)S3,0.0
80679,CO-ADD:0163938,-13.32,c1(N)nonc1OCCOc2nonc2N,0.0
80680,CO-ADD:0163431,-13.32,c(\C=N\NC(COc1ccc(cc1Cl)Cl)=O)(cc(Br)cc2I)c2O,0.0
80681,CO-ADD:0163439,-13.32,c1(c(C)cccc1C)OCC(=O)N\N=C\c(cc2)ccc2Br,0.0
80682,CO-ADD:0163943,-13.32,N1(c(cc2)ccc2[N+](=O)[O-])C(=O)c3c(cc4c(cccc4)c3)C1=O,0.0
80683,CO-ADD:0163349,-13.32,N1=C(c2ccccc2)S\C(=C\c3cc(Br)ccc3O)\C1=O,0.0
80684,CO-ADD:0163389,-13.32,c1(c(ccc(c1)[N+](=O)[O-])Oc2cccc(c2)\C=N\NC(CNC(=O)c3cccc(F)c3)=O)[N+](=O)[O-],0.0
80685,CO-ADD:0162879,-13.32,[N+](=O)([O-])c1ccc(cc1Cl)C(=O)N\N=C(/C)\CC(=O)NC(C)(C)C,0.0
80686,CO-ADD:0162903,-13.32,S(c1ccccc1)(=O)(=O)N\N=C\c2cc(Br)ccc2OCC,0.0
80687,CO-ADD:0162376,-13.34,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(CNC(=O)C(c3ccccc3)c4ccccc4)=O)o1,0.0
80688,CO-ADD:0162408,-13.34,n1c(c(cccc2[N+](=O)[O-])c2)[nH]c(c3ccccc3)c1c4ccc(cc4)Sc(cc5)ccc5c([nH]c(n6)c(cccc7[N+](=O)[O-])c7)c6c8ccccc8,0.0
80689,CO-ADD:0162381,-13.34,c1(c2ccc(cc2)F)ccc(\C=N\c3c(O)ccc(Cl)c3)o1,0.0
80690,CO-ADD:0217728,-13.35,C(F)(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(=O)N\N=C\c(cc1)ccc1Cl,0.0
80691,CO-ADD:0217744,-13.35,N(=C\c1ccccc1OCCCCC)/NC(CCCCCCC)=O,0.0
80692,CO-ADD:0215011,-13.35,C(=C/c(cc1)ccc1OC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc3)ccc3C#N,0.0
80693,CO-ADD:0217747,-13.35,N(=C(/C)\c1ccc(c(OC)c1)OC)/NC(c2ccccc2)=O,0.0
80694,CO-ADD:0215220,-13.35,N1\C(=N/N=C/c(ccc(c2Br)OC)c2)\S\C(=C/c3cccc(Br)c3)\C1=O,0.0
80695,CO-ADD:0215039,-13.35,C1(=C(c2c(cccc2)CC13CCCCC3)N=C(N4Cc5ccccc5)SCc6ccccc6)C4=O,0.0
80696,CO-ADD:0158206,-13.35,O=C(CN1CCCCC1)N/N=C([H])\C2=CC=CC=C2OCC3=CC=CC=C3,0.0
80697,CO-ADD:0158214,-13.35,O=C(CSCC1=CC=C(Cl)C=C1)N/N=C/C2=CC(OCO3)=C3C=C2,0.0
80698,CO-ADD:0157771,-13.36,O=C(NCC(N/N=C/C1=CC=C(OC)C=C1)=O)C2=CC(OC)=C(OC)C=C2,0.0
80699,CO-ADD:0157460,-13.36,[O-][N+](C1=CC=CC(NC(CSC2=NC(C=CC=C3)=C3N2)=O)=C1)=O,0.0
80700,CO-ADD:0157556,-13.36,OC1=C(C=C(C2=CC=CC=C2)N3)C3=CC(Br)=C1,0.0
80701,CO-ADD:0157775,-13.36,O=C(NCC(N/N=C/C=C/C1=CC=CC=C1)=O)C2=CC(OC)=C(OC)C=C2,0.0
80702,CO-ADD:0157807,-13.36,N#CC1=CC=CC=C1OCC(N/N=C/C2=CC=CC=C2OC)=O,0.0
80703,CO-ADD:0157024,-13.37,N#CC1=C(SC(C)C(OCC)=O)N=C(C(C=C2)=CC=C2Br)C=C1C3=CC=CC=C3,0.0
80704,CO-ADD:0160552,-13.37,BrC1=C(C)C(C)=CC(/C=N/C2=CC=C(O)C(C3=NC4=CC=C(C)C=C4O3)=C2)=C1O,0.0
80705,CO-ADD:0159920,-13.37,OC(C=C1)=C(C=C1/N=C/C2=C(O)C=CC(C)=C2)C3=NC(C=C4C)=C(C=C4)O3,0.0
80706,CO-ADD:0159960,-13.37,O=C1C(C(C2=CC=CC=C2)C/C(C)=N/NC(N)=S)=C(O)C3=CC=CC=C3O1,0.0
80707,CO-ADD:0160472,-13.37,O=C(CCl)NC1CCCCC1,0.0
80708,CO-ADD:0160337,-13.38,ClC1=C(C=CC=C1)/C=N/C2=CC(N=C(C3=CC=C(OC)C=C3)O4)=C4C=C2,0.0
80709,CO-ADD:0160345,-13.38,N#CC1=C(N)OC2=C(C=C(/C=N/C3=CC=C(OC)C=C3)C(O)=C2)C1C4=CC=CC(F)=C4,0.0
80710,CO-ADD:0154829,-13.38,O=C(N/N=C/C(C=C1)=CC=C1OCCCCCCCC)C(CC2=CC=CC=C2)C(N/N=C/C(C=C3)=CC=C3OCCCCCCCC)=O,0.0
80711,CO-ADD:0154861,-13.38,O=C(O1)/C(N=C1C(C=C2)=CC=C2C(C)(C)C)=C(C3=CC=CC=C34)/OC4=O,0.0
80712,CO-ADD:0154828,-13.38,O=C(N(C1=CC=CC=C1)C2=CC=CC=C2)C(C(F)(F)F)(F)OC(F)(F)C(F)(F)C(F)(F)F,0.0
80713,CO-ADD:0154952,-13.39,N#CC(C(C1=CC(I)=CC=C1)C(C2=O)=C(C(C=CC=C3)=C3O2)O4)=C4N,0.0
80714,CO-ADD:0154760,-13.4,O=C1/C(N=C(C(C=C2)=CC=C2C(C)(C)C)O1)=C/C3=CC=C(Br)O3,0.0
80715,CO-ADD:0163337,-13.4,c1(ccc(\C=N\NC(CNC(=O)c2cccc(F)c2)=O)o1)[N+](=O)[O-],0.0
80716,CO-ADD:0163910,-13.4,n1(C)c2c(c(C)c1C(OCC)=O)cc(OC(C)=O)cc2,0.0
80717,CO-ADD:0163470,-13.4,C1(COc(c2O1)cccc2)C(=O)N\N=C\c3cc(Cl)ccc3OC,0.0
80718,CO-ADD:0163966,-13.4,C(Oc(cccc1C(=O)Nc2cccc(Br)c2)c1)(=S)Nc(cc3)ccc3OC,0.0
80719,CO-ADD:0163459,-13.41,c1(c(ccc(c2Cl)Cl)c2)ccc(\C=N\NC(=O)c(ccc(c34)OCCO3)c4)o1,0.0
80720,CO-ADD:0163347,-13.41,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C(/C)\c2ccc(cc2C)C,0.0
80721,CO-ADD:0162821,-13.41,C(=O)(C\C(\C)=N/NC(=O)c1cccc(Cl)c1)Nc2cccc(Cl)c2C,0.0
80722,CO-ADD:0162968,-13.41,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(ccc(c34)cccc3)c4,0.0
80723,CO-ADD:0161428,-13.41,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Nc3cccc(F)c3,0.0
80724,CO-ADD:0161167,-13.42,C(/NC(c1ccccc1)=O)(\C(=O)N\N=C\c(cc2)cc(c2OC(=O)c3ccco3)OCC)=C\c4cccs4,0.0
80725,CO-ADD:0162940,-13.42,C(=O)(N\N=C\c1c(cccc1F)Cl)C(=O)Nc2cccc(C)c2,0.0
80726,CO-ADD:0161775,-13.43,C(CNc(cc1)ccc1C)(=O)N\N=C\c(cc2)ccc2OC,0.0
80727,CO-ADD:0215047,-13.43,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cccc3C(=O)c4ccc(c(C)c4)C)c3,0.0
80728,CO-ADD:0217640,-13.43,c1(\C=N\NC(COc(ccc(c2C)C)c2)=O)c[nH]c(ccc(Br)c3)c13,0.0
80729,CO-ADD:0216896,-13.44,N(/c(cc1)ccc1OC)=C\c(cc2)ccc2OCC(=O)c(cc3)ccc3c4ccccc4,0.0
80730,CO-ADD:0216889,-13.44,C(CSCc1ccccc1C)(=O)N\N=C\c(ccc(c2OCC)OCC=C)c2,0.0
80731,CO-ADD:0217393,-13.44,n1c(N2CCCC2)nc(nc1N(CC3)CCO3)N\N=C/c(cc4)ccc4Cl,0.0
80732,CO-ADD:0217356,-13.45,c1(C(=O)N\N=C\c2c(C)[nH]c(ccc(c3)[N+](=O)[O-])c23)nn(c(c4ccccc4)n1)c5ccccc5,0.0
80733,CO-ADD:0217960,-13.45,C(=O)(NCc(cc1)ccc1Cl)c2ccco2,0.0
80734,CO-ADD:0158193,-13.45,N#CC1=C(SCC(C=CC=C2)=C2F)N=C(C3=CC=CS3)C=C1C(C=C4)=CC=C4Cl,0.0
80735,CO-ADD:0159658,-13.45,O=C(/C(S/1)=C/C2=C(C)N(C3=CC=C(OC)C=C3)C(C)=C2)NC1=N\C4=CC=CC=C4,0.0
80736,CO-ADD:0157224,-13.46,O=C(C1=CC=CC=C21)N(C3=CC(C)=C(Br)C=C3)C2=O,0.0
80737,CO-ADD:0157265,-13.46,O=C(C(C=C1)=CC=C1C(C)(C)C)NCC2=CC=C3OCOC3=C2,0.0
80738,CO-ADD:0157748,-13.46,O=S(N(C1=CC(Cl)=CC=C1)CC(N2CCCC2)=O)(C3=CC=C(C)C=C3)=O,0.0
80739,CO-ADD:0157345,-13.46,BrC1=CC=C(C=C1)/C(C)=N/NC2=NC(NC3=CC=CC=C3)=NC(N4CCOCC4)=N2,0.0
80740,CO-ADD:0160332,-13.46,O=C1N(C2=CC=CC=C2C(N(C3=CC=CC=C3)C4=CC=C5C=CC=CC5=C4)=O)C(C6=CC=CC=C16)=O,0.0
80741,CO-ADD:0159967,-13.47,[O-][N+](C(C=C1)=CC=C1NC2=NC(N3CCOCC3)=NC(N/N=C/C(C=C4)=CC=C4OC)=N2)=O,0.0
80742,CO-ADD:0160304,-13.47,O=C1NC(C(Br)=CC(C)=C2)=C2/C1=N/NC(COC3=CC=CC=C3OC)=O,0.0
80743,CO-ADD:0160179,-13.47,BrC1=CC(/C=N/C2=CC=C(C=C2)C3=NC(C=C4)=C(C=C4C)S3)=C(O)C=C1,0.0
80744,CO-ADD:0160595,-13.47,O=C(N/N=C(C)\CC)CNC(C(Br)=C1)=C(Br)C=C1Br,0.0
80745,CO-ADD:0160251,-13.48,IC(C=C1)=CC=C1/C=N/NC2=NC(N3CCOCC3)=NC(N4CCCC4)=N2,0.0
80746,CO-ADD:0154960,-13.48,ClC(Cl)=CC1=NOC(C2=CC=CC=C2)=C1,0.0
80747,CO-ADD:0155407,-13.48,O=S(C1=CC=CC2=CC=CC=C12)(NC3=CC=CN=C3)=O,0.0
80748,CO-ADD:0158573,-13.49,O=C(N/N=C/C1=CC=C(C)O1)C2=CC=CC=N2,0.0
80749,CO-ADD:0155550,-13.49,N#CC1(C#N)[C@]2([H])N([C@H](C(C3=CC=C(C)C=C3)=O)[C@H]1C(C=C4)=CC=C4Br)C(C=CC=C5)=C5C=C2,0.0
80750,CO-ADD:0163743,-13.49,C(=O)(N\N=C/c1ccc(cc1OCc2ccccc2)OCc3ccccc3)c4ccc(cc4)Cl,0.0
80751,CO-ADD:0163391,-13.49,c1(c2ccc(cc2)I)ccc(\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O)o1,0.0
80752,CO-ADD:0163468,-13.49,c1(c(Br)cc(cc1\C=N\NC(COc2ccc(cc2Br)Cl)=O)Br)OC(=O)c3ccco3,0.0
80753,CO-ADD:0163972,-13.5,C(OCc(cc1)ccc1OC)(=O)N\N=C(/C)\CC(=O)Nc2cccc(Cl)c2,0.0
80754,CO-ADD:0163364,-13.5,C(COc1ccc(cc1Br)OC)(=O)N\N=C\c(cc2)ccc2O,0.0
80755,CO-ADD:0163900,-13.5,N1(CNc(cccc2[N+](=O)[O-])c2)C(=S)OC(c3ccc(cc3Cl)Cl)=N1,0.0
80756,CO-ADD:0161392,-13.5,C(=O)(Nc(cc1)ccc1OCCCCC)c(cccn2)c2,0.0
80757,CO-ADD:0162985,-13.5,c1(OCC(=O)N\N=C\c(cc2)ccc2OCC)c(OC)cc(cc1Br)Br,0.0
80758,CO-ADD:0161385,-13.5,N1(c2ccc(cc2)N)C(=O)c3c(cc(cc3)Oc(cc4)ccc4N)C1=O,0.0
80759,CO-ADD:0161917,-13.51,c(cc(Br)cc1I)(\C=N\c(cc2)ccc2F)c1O,0.0
80760,CO-ADD:0162257,-13.51,n1c2c(oc1c3ccc(cc3)I)ccc(c2)\N=C\c4cc(Cl)ccc4O,0.0
80761,CO-ADD:0163153,-13.51,C(=O)(C(c1ccccc1)c2ccccc2)NCC(C)c3ccccc3,0.0
80762,CO-ADD:0216949,-13.52,C(C(C)SCc1ccccc1)(=O)N\N=C\c(cc2)ccc2OC,0.0
80763,CO-ADD:0217361,-13.52,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C\c(ccc2c(cccc3[N+](=O)[O-])c3)o2)nc4Nc5ccccc5)n4,0.0
80764,CO-ADD:0216946,-13.52,C(C(C)SCc1ccccc1)(=O)N\N=C\c2cc(Br)ccc2OC,0.0
80765,CO-ADD:0217352,-13.53,[N+](=O)([O-])c1cc(ccc1OC(=O)c2cccc(C)c2)\C=N\c3ccc(cc3C)C,0.0
80766,CO-ADD:0217368,-13.53,c(Nc(cc1)ccc1[N+](=O)[O-])(nc(N\N=C/c(ccc2c(cccc3C(O)=O)c3)o2)nc4Nc(cc5)ccc5OC)n4,0.0
80767,CO-ADD:0216921,-13.53,n1c(c2ccc(cc2)I)csc1Nc(cc3)ccc3OCC,0.0
80768,CO-ADD:0217897,-13.53,N1(CC(=O)Nc(cc2)ccc2C(C)=O)C(=O)c3c(cccc3)C1=O,0.0
80769,CO-ADD:0218513,-13.53,C(C(c1ccc(cc1)Cl)Nc(cc2)ccc2F)C(=O)c3ccc(cc3)C,0.0
80770,CO-ADD:0218450,-13.53,[N+](=O)([O-])c(c1)cc(c(O)c1\C=N\NC(COc(cc2)ccc2C)=O)Br,0.0
80771,CO-ADD:0218514,-13.53,C(=O)(N\N=C\c1cccc(OC)c1)C(=O)Nc2cccc(C)c2C,0.0
80772,CO-ADD:0218042,-13.53,c12c(ccc(C3OCCO3)c1)noc2c4ccccc4,0.0
80773,CO-ADD:0217888,-13.54,C(=O)(COc1ccc(cc1OC)C=O)N2CCCCC2,0.0
80774,CO-ADD:0159664,-13.54,O=C(NC1=C(F)C(Cl)=CC=C1)C2=CN=CC(N23)=NN=C3C4=CC=C(OC(F)F)C=C4,0.0
80775,CO-ADD:0217514,-13.54,[N+](=O)([O-])c(cc1\C=N\NC(=O)\C(\NC(c2ccccc2)=O)=C/c3cccs3)cc(c1OC(c4ccccc4)=O)Br,0.0
80776,CO-ADD:0157153,-13.54,O=C(NCC1=CC=CC=C1)CCC(N/N=C/C(C=CC=C2)=C2O)=O,0.0
80777,CO-ADD:0157193,-13.54,N#CC1=C(SCCCCCCCCCCCCCCCC)N=C(C2=CC=C(C)C=C2)C=C1C(C=C3)=CC=C3Cl,0.0
80778,CO-ADD:0157504,-13.55,O=C(CCCC1=CC=CC=C1)NC2=C(C)C=C(C)C=C2,0.0
80779,CO-ADD:0157536,-13.55,O=S(NC1=NN=C(CC)S1)(C(C=C2)=CC=C2/N=C/C3=CC(Br)=CC=C3OC)=O,0.0
80780,CO-ADD:0157461,-13.55,[O-][N+](C1=CC=C(OC)C(/C=N/NC2=NC(N3CCOCC3)=NC(NC(C=C4)=CC=C4OC)=N2)=C1)=O,0.0
80781,CO-ADD:0160659,-13.55,O=C(N/N=C/C1=CC=C(C(C)C)C=C1)C(NCC2=CC=CO2)=O,0.0
80782,CO-ADD:0161287,-13.55,C(C(OCC)=O)(=C(CSc1c(cc(c2n1)CCCCCC2)C#N)OC(=C3C#N)N)C3c4ccccc4F,0.0
80783,CO-ADD:0161583,-13.56,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc(cc2)ccc2C)=O)N(CC3)CCO3)c1,0.0
80784,CO-ADD:0161594,-13.56,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2ccccc2OC)=O)N(CCCC)CC)c1,0.0
80785,CO-ADD:0161330,-13.56,c(C(OC)=O)(sc(c12)nc(cc1c3ccc(cc3)F)c4cccs4)c2N,0.0
80786,CO-ADD:0161338,-13.56,c1(C#N)c(c2ccc(cc2)F)cc(nc1SCC(OC)=O)c3cccs3,0.0
80787,CO-ADD:0155549,-13.56,O=C(C1=C2C=CC(OC3=CC=C(C=C3)[N+]([O-])=O)=C1)N(C(C=CC=C4)=C4C)C2=O,0.0
80788,CO-ADD:0158542,-13.56,[O-][N+](C1=CC(/C=N/NC(CN2N=NC3=C2C=CC=C3)=O)=C(O)C=C1)=O,0.0
80789,CO-ADD:0158566,-13.56,O=C(C1=CC=CC=N1)N/N=C/C2=CC(Br)=C(O)C(OC)=C2,0.0
80790,CO-ADD:0158677,-13.57,O=C(N/C(S/1)=N\N=C\C2=CC=C(Cl)C=C2)C1=C\C3=CC(Cl)=CC=C3O,0.0
80791,CO-ADD:0158585,-13.57,O=C(N/N=C(CC)/C1=CC=CC=C1)COC(C(Br)=C2)=C(Br)C=C2C,0.0
80792,CO-ADD:0155502,-13.57,O=C(COC1=C(Br)C=C(Cl)C=C1)N/N=C/C2=C(C)NC3=CC=CC=C23,0.0
80793,CO-ADD:0163385,-13.57,c1(c(cccc2C(F)(F)F)c2)ccc(\C=N\NC(CNC(=O)c3ccc(cc3)Cl)=O)o1,0.0
80794,CO-ADD:0163425,-13.57,C1(COc(c2O1)cccc2)C(=O)N\N=C\c(cc3)cc(c3OC(C)=O)OC,0.0
80795,CO-ADD:0163433,-13.58,C(=O)(N\N=C\c(ccc(c1I)OC)c1)c(ccc(c23)OCCO2)c3,0.0
80796,CO-ADD:0162330,-13.58,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2OCC)\C=N\NC(COc(cc3)ccc3C(C)(C)CC(C)(C)C)=O,0.0
80797,CO-ADD:0162555,-13.58,C(=CC(CC1)OC(CCC)=O)(C(C)=C2)C1(C)C(C23)CCC4(C)C3CC[C@@]4(C(C)=O)OC(C)=O,0.0
80798,CO-ADD:0163985,-13.59,C(=O)(C\C(\C)=N\NC(COc(ccc(c1C)Br)c1)=O)Nc2ccccc2C,0.0
80799,CO-ADD:0163193,-13.59,[N+](=O)([O-])c1cc(ccc1OC)\C=N\NC(COc2c(C)cccc2C)=O,0.0
80800,CO-ADD:0163144,-13.59,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c2cc(C)ccc2O,0.0
80801,CO-ADD:0163853,-13.59,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C(/C)\c2cccc(I)c2)c3ccccc3OC,0.0
80802,CO-ADD:0163029,-13.59,C1(=C(C)N(N(c2ccccc2)C1=O)C)N3C(=O)c(c4C3=O)ccc(C(=O)c(ccc(c5C6=O)C(N6C7=C(C)N(N(c8ccccc8)C7=O)C)=O)c5)c4,0.0
80803,CO-ADD:0163133,-13.59,C(=O)(c1cccc(F)c1)NCC(=O)N\N=C\c(cc2)ccc2Br,0.0
80804,CO-ADD:0217309,-13.6,c1(c2cccc(Br)c2)oc3c(ccc(c3)\N=C\c4cc(OCO5)c5cc4[N+](=O)[O-])n1,0.0
80805,CO-ADD:0217085,-13.6,C(=O)(N(C1CCCCC1)C2CCCCC2)c3ccccc3C(OCCC(C)C)=O,0.0
80806,CO-ADD:0216961,-13.61,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\NC(=O)c3ccccc3OC)C(=O)Oc(cc4)ccc4\C=N\NC(=O)c5ccccc5OC,0.0
80807,CO-ADD:0217186,-13.61,C(c1ccccc1)(=O)N\N=C\c(cc2)ccc2F,0.0
80808,CO-ADD:0217074,-13.61,[N+](=O)([O-])c1cccc(c1)\N=C\c2c3c(cccc3)ccc2OC(=O)c4ccc(cc4Cl)Cl,0.0
80809,CO-ADD:0216923,-13.61,C(/c1c2cccc1)(\c3c2cccc3)=N/NC(c(cc4)ccn4)=O,0.0
80810,CO-ADD:0217538,-13.61,c1(cc(Cl)cc(\C=N\c(ccc(c23)oc(c4ccc(c(C)c4)C)n2)c3)c1O)[N+](=O)[O-],0.0
80811,CO-ADD:0216827,-13.61,[N+](=O)([O-])c1ccc(cc1)CSCC(=O)N\N=C\c2cc(OC)ccc2OC,0.0
80812,CO-ADD:0217230,-13.61,C(F)(F)(COc1ccccc1NC(=O)c2cccc(C)c2)C(F)F,0.0
80813,CO-ADD:0157282,-13.62,O=C(N/N=C/C1=CC=NC=C1)C(C=C2OC)=CC=C2O,0.0
80814,CO-ADD:0157330,-13.62,O=C(N(C(C=C1)=CC=C1Cl)N=C/2C)C2=C\NC3=CC=C(C=C3)C(C)=O,0.0
80815,CO-ADD:0157146,-13.62,O=C(C(C=C1)=CC=C1Cl)OC2=CC=C3C(C=CC=C3)=C2/C=N/C4=C(C)C=C(C)C=C4,0.0
80816,CO-ADD:0156978,-13.63,N#CC1=C(SCC(C2=CC=C(Cl)C=C2)=O)N=C(C)C3=C1CCCC3,0.0
80817,CO-ADD:0157010,-13.63,N#CC(C(C(F)(F)F)=C1)=C(SCC(NC2=CC(C)=CC=C2)=O)N=C1C3=CC=CS3,0.0
80818,CO-ADD:0163615,-13.63,c1(OCC(=O)N\N=C\c2cc(Br)ccc2OCC(O)=O)c(Br)cc(cc1Br)C,0.0
80819,CO-ADD:0163063,-13.63,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c3ccccc3Cl,0.0
80820,CO-ADD:0163095,-13.63,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OCC)c5)O,0.0
80821,CO-ADD:0163111,-13.64,c12c(cnc(Cl)n1)c3c(CCCC3)s2,0.0
80822,CO-ADD:0163544,-13.64,c(\C=N\NC(COc1ccccc1C)=O)(cc(I)cc2I)c2O,0.0
80823,CO-ADD:0163640,-13.64,c(\C=N\NC(COc1c(C)cccc1C)=O)(cc(I)cc2I)c2O,0.0
80824,CO-ADD:0161568,-13.64,c1(\C=N\NC(COc(cc2)ccc2F)=O)cc(Br)ccc1OC,0.0
80825,CO-ADD:0161148,-13.64,c1(\C=N\NC(COc(ccc(c2C)C)c2)=O)c[nH]nc1c3cccc(Br)c3,0.0
80826,CO-ADD:0161572,-13.64,C(c1ccccc1)(=O)NC(C)C(=O)N\N=C\c(cc2)ccc2Cl,0.0
80827,CO-ADD:0161588,-13.64,[N+](=O)([O-])c(ccc(c1\C=N\NC(CNc2ccccc2C)=O)N(CCCC)CC)c1,0.0
80828,CO-ADD:0159783,-13.65,N#CC(C(C(F)(F)F)=C1)=C(O)N=C1CC,0.0
80829,CO-ADD:0160487,-13.65,ClC1=CC=CC=C1/C=N/C2=CC=C(C=C2)C(C=C3)=CC=C3/N=C/C(C=CC=C4)=C4Cl,0.0
80830,CO-ADD:0158650,-13.65,O=C(OCC)C1=C(C)N(C2=C1C=C(O)C(Br)=C2)C3=CC=CC=C3,0.0
80831,CO-ADD:0156198,-13.65,O=C(C(C=CC=C1)=C1C)NC2=C(C=CC=C2)C(N/N=C\C3=CC=CO3)=O,0.0
80832,CO-ADD:0156079,-13.66,O=C1/C(N=C(C(C=C2)=CC=C2OC(C)=O)O1)=C\C3=CC(OC)=C(C(OC)=C3)OC,0.0
80833,CO-ADD:0156335,-13.66,O=C1C(C=CC=C2)=C2N(CC(N/N=C/C3=CC=C(C(C=C4)=CC=C4Cl)O3)=O)C5=C1C=CC=C5,0.0
80834,CO-ADD:0156436,-13.66,ClC1=CC(Cl)=CC(/C=N/C(C=C2)=C(C)C=C2/N=C/C3=CC(Cl)=CC(Cl)=C3O)=C1O,0.0
80835,CO-ADD:0154874,-13.66,N#CC1=C(C2=CC=CS2)C(C(C(C#N)=C1N)=CC3)CN3C(OCC)=O,0.0
80836,CO-ADD:0162239,-13.66,c(Nc1ccccc1)(nc(N\N=C\c(cc2)ccc2F)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
80837,CO-ADD:0162728,-13.66,C(CCC(=O)OC(CC1)CCC1C(C)(C)C)(=O)Nc(cc2)ccc2OC,0.0
80838,CO-ADD:0162624,-13.66,c(C#N)(c1c2ccccc2)c(SCC(=O)Nc3c(Br)cc(cn3)Br)nc(N)c1C#N,0.0
80839,CO-ADD:0162285,-13.66,[N+](=O)([O-])c1cccc(OCC(=O)N\N=C\c(cc2)ccn2)c1,0.0
80840,CO-ADD:0162201,-13.67,c1(N2CCCC2)nc(N\N=C\c3ccccc3O)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
80841,CO-ADD:0162188,-13.67,[N+](=O)([O-])c1cccc(c1)\C=N\NC(CNc2cccc(C)c2)=O,0.0
80842,CO-ADD:0163197,-13.67,C(=O)(c1ccc(cc1)CSc(ccc(c23)cccc2)c3)OCC(c4ccccc4)=O,0.0
80843,CO-ADD:0162932,-13.67,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)Nc2ccccc2F,0.0
80844,CO-ADD:0163028,-13.68,C(CCC(=O)OCC(c1ccccc1)=O)(=O)Nc(ccc(c23)cccc2)c3,0.0
80845,CO-ADD:0163119,-13.68,S1(=O)(=O)c(cccc2)c2C(NCCSC(C)(C)C)=N1,0.0
80846,CO-ADD:0163800,-13.69,c1(cc(ccc1O)Cc(ccc(c2\C=N\c3cccc(Br)c3)O)c2)\C=N\c4cccc(Br)c4,0.0
80847,CO-ADD:0162352,-13.69,C(CNc1cccc(C)c1)(=O)N\N=C\c2cccc(Br)c2,0.0
80848,CO-ADD:0216991,-13.69,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2)OC)\C=N\c3cccc(C)c3,0.0
80849,CO-ADD:0217303,-13.69,c1(c2cccc(cccc3)c23)oc(c4n1)ccc(c4)\N=C\c5cc(C)ccc5O,0.0
80850,CO-ADD:0216966,-13.69,C(=S)(Oc(cc1)ccc1C(=O)Nc2cccc(C)c2C)N(CC(C)C)CC(C)C,0.0
80851,CO-ADD:0217046,-13.69,c1(C)c(cccc1NC(CSCc(cc2)ccc2Cl)=O)Cl,0.0
80852,CO-ADD:0217358,-13.69,c1(C(=O)N\N=C\c(cc2)ccc2OC(=O)\C=C/c3ccco3)nn(c(c4ccccc4)n1)c5ccccc5,0.0
80853,CO-ADD:0216867,-13.7,n1(cc(n(c2)nnc2c3ccccc3)nc1)C\C=C(/C)\C,0.0
80854,CO-ADD:0217610,-13.7,n1c(c2ccccc2)csc1NCC=C,0.0
80855,CO-ADD:0216882,-13.7,C(C1(c2ccno2)C)CNCC1.Cl,0.0
80856,CO-ADD:0217286,-13.7,c1(\C=N/NC(CCCCC(NCC=C)=O)=O)c2c(cccc2)cc(cccc3)c13,0.0
80857,CO-ADD:0217599,-13.7,S(c1ccccc1)(=O)(=O)N\N=C\c2ccccc2Br,0.0
80858,CO-ADD:0157018,-13.71,N#CC(C(C(F)(F)F)=C1)=C(SCC(NC(C(C)=C2)=CC=C2I)=O)N=C1C3=CC=CS3,0.0
80859,CO-ADD:0157050,-13.71,N#CC1=C(N)OC(CCC2)=C(C2=O)C1C3=CC=CN3C.C(=O)O,0.0
80860,CO-ADD:0157099,-13.71,[O-][N+](C1=CC(C2=CC=C(/C=C3SC4=C(C=CC=C4)C\3=O)O2)=C(Cl)C=C1)=O,0.0
80861,CO-ADD:0157139,-13.71,O=C(C(C=C1)=CC=C1Br)N/N=C(C)/CC(NC2=CC(Cl)=C(Cl)C=C2)=O,0.0
80862,CO-ADD:0163529,-13.72,c1(cc(\C=N\NC(=O)c(ccc(c23)OCCO2)c3)cc(OC)c1O)[N+](=O)[O-],0.0
80863,CO-ADD:0163281,-13.72,N(=C(/C)\c1ccc(c(OC)c1)OC)/NC(CNc(cc2)ccc2C)=O,0.0
80864,CO-ADD:0163610,-13.72,c1(OCC(=O)N\N=C\c2cc(Br)cc(Br)c2OCC(O)=O)c(OC)cc(cc1Br)Br,0.0
80865,CO-ADD:0163626,-13.72,C(=N\NC(=O)c(cccc1[N+](=O)[O-])c1)(/c(cc(Br)cc2C)c2N3C)\C3=O,0.0
80866,CO-ADD:0157068,-13.72,N#CC1=C(SC(C)C(OCC)=O)N=C2C(CCCC2)=C1C3=CC=CS3,0.0
80867,CO-ADD:0156972,-13.73,O=C(CSC1=NC(C=CC=C2)=C2N1)N3C(O)(C)CC(C)=N3,0.0
80868,CO-ADD:0161137,-13.73,c1(Br)c(ccc(cccc2)c12)OCC(=O)N\N=C\c(cccc3Oc4ccccc4)c3,0.0
80869,CO-ADD:0161289,-13.73,c1(cc(C)c(nc1SCC(=O)CC(OCC)=O)CC)C#N,0.0
80870,CO-ADD:0159828,-13.73,O=C1C2=C(CCC1)C(C3=C4C=CC=C3)=C(C=C4)NC2C5=CC=CN=C5,0.0
80871,CO-ADD:0159887,-13.74,[O-][N+](C(C=C1)=CC=C1NC2=NC(N/N=C/C(C=C3)=CC=C3OC)=NC(NC4=CC(C)=C(C)C=C4)=N2)=O,0.0
80872,CO-ADD:0159768,-13.74,N=C1C(C(N)=O)=CC(Cl)=C(C(O)=O)N1CC2=CC=CC=C2,0.0
80873,CO-ADD:0154899,-13.75,O=S(C1=CC=C(N)C=C1)(O)=O.NC2=NC=NN2,0.0
80874,CO-ADD:0156183,-13.75,O=C(N/N=C(C)/C1=CC=C2C=CC=CC2=C1O)C(C=CC=C3)=C3O,0.0
80875,CO-ADD:0156407,-13.75,[O-][N+](C1=CC(NC(OC2=CC=C(C=C2)C(NC3=CC=CC([N+]([O-])=O)=C3)=O)=S)=CC=C1)=O,0.0
80876,CO-ADD:0154910,-13.75,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C(C=CC=C3)=C3I,0.0
80877,CO-ADD:0162316,-13.76,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccc(cc2Br)\C=N\NC(COc3ccc(cc3Br)C)=O,0.0
80878,CO-ADD:0162717,-13.76,c1(C(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)c(O)cc(c3c1)cccc3,0.0
80879,CO-ADD:0162241,-13.77,c(Nc1ccccc1)(nc(N\N=C\c(cc2)ccc2N(C)C)nc3Nc(cc4)ccc4[N+](=O)[O-])n3,0.0
80880,CO-ADD:0162345,-13.77,C(=O)(Nc(cc1)ccc1C(=O)Nc2cccc(C)c2C)c3ccccc3Br,0.0
80881,CO-ADD:0162554,-13.77,N1(c2cccc(Cl)c2)C(=O)C=C(N(CC3)CCN3c4ncccn4)C1=O,0.0
80882,CO-ADD:0162214,-13.77,C(=N/Nc(nc(Nc(cc1)ccc1[N+](=O)[O-])nc2N3CCCC3)n2)(/c4c(N5)cccc4)\C5=O,0.0
80883,CO-ADD:0163883,-13.78,N1(c2c(Cl)ccc(Cl)c2)C(=O)c(c3C1=O)cc(c4c3)cccc4,0.0
80884,CO-ADD:0163602,-13.79,C(=O)(N\N=C\c1cccc(OC)c1OC)C(=O)NCc(cc2)ccc2Cl,0.0
80885,CO-ADD:0163890,-13.8,C(Cc1ccccc1)(=O)NCc2ccco2,0.0
80886,CO-ADD:0162638,-13.8,C12=C(c3c(cccc3)OC1=O)OC(=C(C#N)C24c5c(NC4=O)cccc5)N,0.0
80887,CO-ADD:0163803,-13.81,c1(ccc(cc1[N+](=O)[O-])C(=O)Oc(cc2)ccc2\C=N\c(cc3)ccc3N(C)C)C(=O)Oc(cc4)ccc4\C=N\c(cc5)ccc5N(C)C,0.0
80888,CO-ADD:0162739,-13.81,S(=O)(=O)(N\N=C\c(c(O)ccc1[N+](=O)[O-])c1)c(ccc(c2[N+](=O)[O-])C)c2,0.0
80889,CO-ADD:0216955,-13.81,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(/C)\CC(=O)Nc2cc(C)ccc2OC,0.0
80890,CO-ADD:0217025,-13.81,S(c1ccccc1)(=O)(=O)N(c2cccc(Cl)c2)CC(=O)N\N=C\c(cc(OCO3)c3c4)c4Br,0.0
80891,CO-ADD:0217313,-13.81,c1(c2ccc(cc2)Cl)ccc(\C=N\NC(=O)Cc3ccc(c(cccc4)c34)Br)o1,0.0
80892,CO-ADD:0217321,-13.81,[N+](=O)([O-])c(ccc(c1\C=N\NC(COc2cccc(Cl)c2)=O)N3CCCC3)c1,0.0
80893,CO-ADD:0217187,-13.81,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c2ccc(cc2Cl)Cl)c1,0.0
80894,CO-ADD:0216916,-13.82,[N+](=O)([O-])c1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)\C=N\c3ccccc3,0.0
80895,CO-ADD:0157324,-13.82,O=C1OC(C2=CC=CC=C2Br)=N/C1=C\C(C=C3)=CC=C3C,0.0
80896,CO-ADD:0157348,-13.82,[O-][N+](C(C=C1)=CC=C1/C=N/NC(CNC(C=CC=C2)=C2C)=O)=O,0.0
80897,CO-ADD:0157317,-13.82,[O-][N+](C1=CC=CC(C(CC(NC(C=CC=C2)=C2C)=O)NC(C(F)(F)F)=O)=C1)=O,0.0
80898,CO-ADD:0157029,-13.82,N#CC1=C(SCC(NCC2=CC=CC=C2)=O)N=C(C(C=C3)=CC=C3Br)C=C1C4=CC=CC=C4,0.0
80899,CO-ADD:0157045,-13.82,N#CC1=C(N)OC(CC2(C)C)=C(C(C2)=O)C1C3=CC=CN3C.C(=O)O,0.0
80900,CO-ADD:0158224,-13.82,O=C(N/N=C\C1=CC=CO1)C(C=C2)=CC=C2NC(CC)=O,0.0
80901,CO-ADD:0160199,-13.82,BrC1=C(O)C(/C=N/C2=CC=C(C=C2)C(O3)=NC4=C3C=C(C)C=C4)=CC(Cl)=C1,0.0
80902,CO-ADD:0158126,-13.83,O=C(N/N=C(C)/CC(NC1=CC=CN=C1)=O)C(NCC(C)C)=O,0.0
80903,CO-ADD:0158494,-13.83,[O-][N+](C1=CC(/C=N/NC2=CC=C(C=C2)[N+]([O-])=O)=CC=C1N(C)C)=O,0.0
80904,CO-ADD:0157369,-13.83,O=C(NCCCCNC(OC1=C(C(C)C)C=CC(C)=C1)=O)OC2=C(C(C)C)C=CC(C)=C2,0.0
80905,CO-ADD:0156921,-13.83,O=S(N=C1OC2=CC=C(C=C2)[N+]([O-])=O)(C3=C1C=CC([N+]([O-])=O)=C3)=O,0.0
80906,CO-ADD:0159800,-13.84,N#CC1=C(SCC=C)N=C(C2=CC=CC=C2)C=C1C(C=C3)=CC=C3Br,0.0
80907,CO-ADD:0160314,-13.84,O=C(OCC)/C(Cl)=N/NC1=CC=CC(Cl)=C1,0.0
80908,CO-ADD:0160546,-13.85,O=C(CNC1=C(C=CC=C2)C2=CC=C1)N/N=C/C3=C(C=CC=C4)C4=CC5=C3C=CC=C5,0.0
80909,CO-ADD:0160370,-13.85,O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)NC3=CC=CC=C3NC(C(C4=CC=CC=C4)C5=CC=CC=C5)=O,0.0
80910,CO-ADD:0160450,-13.85,O=C(N/N=C/C1=CC(I)=CC(I)=C1O)C2C(C3=CC=CC=C3)(C4=CC=CC=C4)C2,0.0
80911,CO-ADD:0160382,-13.85,O=C(COC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)N/N=C/C2=CC(Br)=C(Br)O2,0.0
80912,CO-ADD:0284207,-13.85,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(=O)N\N=C(/C)\c3ccccc3,0.0
80913,CO-ADD:0278921,-13.85,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
80914,CO-ADD:0278393,-13.86,N1(CC(N(O)C1c2ccccc2)=O)S(=O)(=O)c3ccc(cc3)C,0.0
80915,CO-ADD:0278346,-13.86,c1(C(OCC)=O)c(cc(O)cc2)c2n(CCOc3cccc(cccc4)c34)c1C,0.0
80916,CO-ADD:0257289,-13.86,C(=O)(Nc1cccc(Cl)c1)C(NCCCCCC)=O,0.0
80917,CO-ADD:0257617,-13.86,C(=O)(c1cccc(Cl)c1)N\N=C(/C=C/c2ccccc2)\C=C\c3ccccc3,0.0
80918,CO-ADD:0252649,-13.86,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1Nc(cc2)ccc2C,0.0
80919,CO-ADD:0252349,-13.87,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)OCc2nonc2COC(=O)c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c3)c1,0.0
80920,CO-ADD:0254562,-13.87,C1(=S)N(c2ccccc2)C(=O)\C(\C(=O)N1c3ccccc3)=C\c(cc4Br)cc(c4O)Br,0.0
80921,CO-ADD:0254470,-13.87,n(c1ccc(cc1)Br)(ncc2C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)n2,0.0
80922,CO-ADD:0252975,-13.87,c12n(ncn1N)c(nn2)SCC(=O)Nc(cc3)ccc3S(N)(=O)=O,0.0
80923,CO-ADD:0252964,-13.88,c12c(cc(nc1)\C=C\N(C)C)c3c(cccc3)C2=O,0.0
80924,CO-ADD:0255235,-13.89,N1(C)C(=O)CC(S\C(\NCc(cc2)ccc2OC)=N\c3ccccc3)C1=O,0.0
80925,CO-ADD:0252767,-13.89,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c4cccc(Br)c4,0.0
80926,CO-ADD:0254463,-13.9,C12(C)C(=O)C(C(c3ccccc3)=C1c4ccccc4)(C5C2C(=O)C=CC5=O)CCC,0.0
80927,CO-ADD:0247678,-13.9,n1c(NN)ncc(C#N)c1SCC(OCC)=O,0.0
80928,CO-ADD:0247478,-13.9,N(=C(\C)/c(cc1)ccc1C(C)(C)C)/NC(=O)CCSc(cc2)ccc2Cl,0.0
80929,CO-ADD:0248278,-13.9,C(=C/c(ccc1c(cc2)cc(c2C(O)=O)Cl)o1)(/C3=O)\Sc(c34)cccc4,0.0
80930,CO-ADD:0252769,-13.9,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c(ccc(c4OC)O)c4,0.0
80931,CO-ADD:0133874,-13.91,c1(CNC(=O)c([nH]c2[N+]([O-])=O)nc2)ccc(S(C)(=O)=O)cc1,0.0
80932,CO-ADD:0133865,-13.91,O=C(c1n(Cc2ncccc2)cc([N+](=O)[O-])n1)N,0.0
80933,CO-ADD:0258522,-13.91,[N+](=O)([O-])c1ccccc1c2ccc(\C=N\c3ccccc3F)o2,0.0
80934,CO-ADD:0258291,-13.91,n1c(c2ccc(cc2)OC)[nH]c(c(cc3)ccc3c4ccccc4)c1c(cc5)ccc5c6ccccc6,0.0
80935,CO-ADD:0259083,-13.91,C(=N/c(cc1)ccc1OC)(/S\C(\C2=O)=C\c(ccc(c3OCC)OCc4ccccc4C#N)c3)\N2,0.0
80936,CO-ADD:0258589,-13.92,N1(c2ccc(cc2)Br)C(=O)CC(N(CCc(cc3)ccc3OC)C(=O)\C=C\C(O)=O)C1=O,0.0
80937,CO-ADD:0284907,-13.92,c1(c2cccc(cccc3)c23)[nH]c(c(c4ccc(cc4)Sc5ccccc5)n1)c6ccccc6,0.0
80938,CO-ADD:0284308,-13.92,S1(=O)(=O)c(cccc2)c2C(NC)=N1,0.0
80939,CO-ADD:0260094,-13.92,C1(C(=O)OCc(ccc(c23)OCO2)c3)=C(C)NC(=O)NC1c(cc4)ccc4N(CC)CC,0.0
80940,CO-ADD:0260006,-13.92,c1(cc(ccc1Oc2ccccc2C(=O)Nc3cccc(Br)c3)C(F)(F)F)[N+](=O)[O-],0.0
80941,CO-ADD:0259936,-13.92,N1(C(=O)CSC1c2ccccc2)c3cccc(c3)C(=O)NC4(CCCCC4)C(=O)Nc5ccccc5,0.0
80942,CO-ADD:0259952,-13.93,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccccc3)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
80943,CO-ADD:0259984,-13.94,c1(C(OCC)=O)c(CSc2sc(c3n2)cccc3)[nH]c(cc(Br)c(OC(C)=O)c4)c14,0.0
80944,CO-ADD:0259315,-13.94,C1(CC(C)C)=C(C)c(ccc(c2)OCc3ccccc3)c2OC1=O,0.0
80945,CO-ADD:0258804,-13.94,N1(c2c(C)ccc(Cl)c2)C(=O)C3C(C1=O)C(C(=O)C34c5ccccc5)(c6ccccc6)C(=C4c7ccccc7)c8ccccc8,0.0
80946,CO-ADD:0259636,-13.95,C(=O)(NCc1cccc(c1)CNC(=O)C(NCCOC)=O)C(NCCOC)=O,0.0
80947,CO-ADD:0277581,-13.95,N1(c2ccccc2)C(=O)CC(N(CC3)CCN3C(C)=O)C1=O,0.0
80948,CO-ADD:0252729,-13.95,S(=O)(=O)(c1cccc(c1)\N=C\c2c(cccc2Cl)Cl)c3cccc(c3)\N=C\c4c(cccc4Cl)Cl,0.0
80949,CO-ADD:0255219,-13.95,C1(=O)Oc(c2S1)ccc(c2)OC(OC(C)C)=O,0.0
80950,CO-ADD:0248088,-13.95,S(N)(=O)(=O)c1ccc(cc1)NC(COC(=O)C(CCSC)NC(C)=O)=O,0.0
80951,CO-ADD:0247412,-13.95,N(CCN1C(=O)CN(CC2)CCO2)(C1C(C)C)S(=O)(=O)c3ccc(cc3)C,0.0
80952,CO-ADD:0252469,-13.95,N(CC1)(CCO1)c(cc2)ccc2C(=O)c3ccc(cc3)F,0.0
80953,CO-ADD:0248248,-13.96,n1(CC(=O)Nc(cc2)ccc2CC)nnnc1N,0.0
80954,CO-ADD:0255205,-13.96,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(c4c3)OCO4)c5sc(c6c5C#N)CCCCC6,0.0
80955,CO-ADD:0252656,-13.96,S(=O)(=O)(N1CCCCC1)c2cccc(nsn3)c23,0.0
80956,CO-ADD:0247756,-13.96,C(/C#N)(\C(OCC)=O)=N/Nc(cc1)ccc1C(N)=O,0.0
80957,CO-ADD:0254803,-13.96,N1(c2cccc(C(C)=O)c2)C(=O)c(c3C1=O)ccc(C(O)=O)c3,0.0
80958,CO-ADD:0254660,-13.96,C(C(OCC)=O)(C(c1ccc(c(O)c1)OC)C2=C(N3c4cccc(c4)[N+](=O)[O-])CCCC2=O)=C3N,0.0
80959,CO-ADD:0252961,-13.97,S(CCCCCCCCC)(=O)(=O)N\N=C\c1ccc(cc1Cl)Cl,0.0
80960,CO-ADD:0249155,-13.98,C(COc1cccc(C)c1)(=O)Nc2cccc(F)c2,0.0
80961,CO-ADD:0254679,-13.98,c1(\N=C\c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2O)c(c3ccc(c(OCC)c3)O)nc(cccc4)n14,0.0
80962,CO-ADD:0284348,-13.99,c1(C(C)=O)c2c(oc1C)ccc(OC(C)=O)c2,0.0
80963,CO-ADD:0284853,-13.99,N1(C(=O)c2cccc(C)c2)N=C(C3C1(O)C(F)(F)F)CCCCC3,0.0
80964,CO-ADD:0284789,-14.0,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(=O)N\N=C(/C)\c(cc3)ccc3[N+](=O)[O-],0.0
80965,CO-ADD:0284669,-14.0,c1(C(OCC)=O)c(C)c2c(ccc(OCc3ccccc3)c2)[nH]1,0.0
80966,CO-ADD:0284574,-14.0,S(=O)(=O)(c1cccc(c1)C(=O)NCc2ccco2)N3CCC(CC3)C,0.0
80967,CO-ADD:0284485,-14.0,C(=O)(c(cc1)ccc1C(NCCNC(=O)c(cc2)ccc2C(=O)N(C3CCCCC3)C4CCCCC4)=O)N(C5CCCCC5)C6CCCCC6,0.0
80968,CO-ADD:0277781,-14.01,C(=C\c(cc1)ccc1Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])(/C(=O)NC(N3)=S)\C3=O,0.0
80969,CO-ADD:0259597,-14.02,N12c(c(C3C(CC=C3)C1)c4)c(C5C(CC=C5)C2)cc4C(=O)Nc(cc6)ccc6Br,0.0
80970,CO-ADD:0259478,-14.02,C(=O)(Nc(cc1)ccc1C)C2C3CCCC2C3c4ccccc4,0.0
80971,CO-ADD:0259494,-14.02,N1(NC(=O)C2CC2(c3ccccc3)c4ccccc4)C(=O)C(C5C1=O)C6C7C(C7)C5C=C6,0.0
80972,CO-ADD:0259304,-14.02,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3cccs3)c4sc(c5c4C(OC)=O)CCCCC5,0.0
80973,CO-ADD:0259290,-14.02,N1(c2ccc(cc2)Br)C(=O)CC(N(CC3)CCC3C(N)=O)C1=O.[Na+],0.0
80974,CO-ADD:0283493,-14.03,c1(N)c(O)ccc(Br)c1,0.0
80975,CO-ADD:0259434,-14.03,c1(NC(=O)C(CC)Sc2nc(C)cc(C)n2)sc(c3c1C(OCC)=O)CCCC3,0.0
80976,CO-ADD:0259403,-14.03,c1(N(CC2)CCO2)nc(N\N=C\c(ccc(c3OC)OC)c3)nc(Nc4cc(C)ccc4C)n1.Cl,0.0
80977,CO-ADD:0260214,-14.04,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(=O)\C=C\c4ccccc4)n1,0.0
80978,CO-ADD:0252688,-14.04,N12C(C1(Cl)Cl)(CCN(C3CCCCC3)C=O)c4c(cccc4)CC2(C)C,0.0
80979,CO-ADD:0254526,-14.04,C(C(OC)=O)(C(c1ccc(c2c1)OCO2)C3=C(N4c(cccc5C(F)(F)F)c5)CCCC3=O)=C4N,0.0
80980,CO-ADD:0248090,-14.04,c1(SCC(=O)Nc(ccc(c2NC(CSc3[nH]c(c4n3)cccc4)=O)C)c2)[nH]c(c5n1)cccc5,0.0
80981,CO-ADD:0252757,-14.04,C(/C(C)=C1)(\C=C(C1=O)C(C)C)=C(\c2ccccc2S(O)(=O)=O)/c3c(C)cc(c(C(C)C)c3)O,0.0
80982,CO-ADD:0248161,-14.04,[n+]1(cnn(CC(=O)Nc2nnc(SCCCC)s2)c1)[N-][N+](=O)[O-],0.0
80983,CO-ADD:0247899,-14.05,C(C(=O)OC1CCCC1)(C2c3ccccc3)=C(C)NC(CCCC4=O)=C24,0.0
80984,CO-ADD:0247605,-14.05,N1(c2cccc(Cl)c2)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\c3ccc(cc3)F,0.0
80985,CO-ADD:0255238,-14.05,C(C#N)(C(c1ccc(cc1)CC)C2=C(N3c4ccccc4F)CCCC2=O)=C3N,0.0
80986,CO-ADD:0249257,-14.06,o1c(SCC(=O)c(cccc2[N+](=O)[O-])c2)nnc1c3cccc(Br)c3,0.0
80987,CO-ADD:0252799,-14.06,c12c(cccc1C(OCC)=O)C3C(C(c(cc4)ccc4[N+](=O)[O-])N2)CC=C3,0.0
80988,CO-ADD:0249335,-14.06,N1(CN2CCC(CC2)C)c(cccc3)c3\C(=N/c(cc4)ccc4F)\C1=O,0.0
80989,CO-ADD:0249451,-14.07,c12c(nnc(N\N=C\c3ccccn3)n1)c(c4[nH]2)cccc4C,0.0
80990,CO-ADD:0247753,-14.07,C(=O)(Nc(cc1)ccc1OCCCCCCCCCC)NC(C)c2ccc(cc2)OC,0.0
80991,CO-ADD:0255000,-14.07,N(CN1CCC(CC1)C)(N=C(N2c3ccccc3)COc4ccccc4)C2=S,0.0
80992,CO-ADD:0258345,-14.07,c1(cc(OCCO2)c2cc1C(C)=O)NC(=O)c3ccc(cc3)C,0.0
80993,CO-ADD:0284192,-14.07,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(=O)N\N=C\c3cccc(Cl)c3Cl,0.0
80994,CO-ADD:0284232,-14.08,n1(cc(cn1)Br)C(=O)c2cccc(C)c2,0.0
80995,CO-ADD:0283672,-14.08,C1(C(=O)OC2CCCC2)=C(C)NC(NC1c3cccc(cccc4)c34)=O,0.0
80996,CO-ADD:0283666,-14.08,N1(c2ccc(cc2)Cl)C(=O)CC(N(CCc3ccccc3)C(CCC(O)=O)=O)C1=O,0.0
80997,CO-ADD:0283258,-14.08,N1(c2cccc(c2)C(O)=O)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
80998,CO-ADD:0259460,-14.09,c1(nc(C)cc(C)n1)N\C(\N)=N\OCC=C,0.0
80999,CO-ADD:0258289,-14.09,n1c(c2ccc(cc2)O)[nH]c(c(cc3)ccc3c4ccccc4)c1c(cc5)ccc5c6ccccc6,0.0
81000,CO-ADD:0257264,-14.1,N1(c(cc2)ccc2C(=O)N3CC(CC3C4)C(C4(C)C)C)C(=O)c5c(cccc5)C1=O,0.0
81001,CO-ADD:0260023,-14.1,N1(C2CCCCC2)C(=S)NN=C1c3cccc(Cl)c3,0.0
81002,CO-ADD:0260215,-14.11,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n1,0.0
81003,CO-ADD:0277758,-14.11,N1(c2ccc(cc2Br)Br)C(=O)CC(N3CCCCCCC3)C1=O,0.0
81004,CO-ADD:0278257,-14.11,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OC)cc(c5OC(C)=O)OC,0.0
81005,CO-ADD:0257916,-14.11,N12C(S\C(=C\c(cc3OC)cc(c3O)I)\C1=O)=NC(C)=C(C(OCC)=O)C2c4cc(OC)ccc4OC,0.0
81006,CO-ADD:0257932,-14.11,N1(c2ccc(cc2)OCC)C(c3ccc(c(Cl)c3)Cl)Nc(c4C1=O)cccc4,0.0
81007,CO-ADD:0254447,-14.11,c1(ncc(c(N)c1Cl)Cl)C(Cl)(Cl)Cl,0.0
81008,CO-ADD:0249665,-14.13,c1(c2ccccc2Cl)nnn(CC(=O)N\N=C\c(ccc3c4cccc(Cl)c4)o3)n1,0.0
81009,CO-ADD:0252263,-14.13,c(n1)(c2)c(ccc2C(=O)NC3CCCCC3)ns1,0.0
81010,CO-ADD:0255061,-14.13,N1(c(cccn2)c2)C(=O)C(C(C(CC3=O)c(c45)cccc4)C1=O)C35,0.0
81011,CO-ADD:0248953,-14.13,C(COc(cc1)ccc1Br)(=O)Nc2cccc(F)c2,0.0
81012,CO-ADD:0249485,-14.13,C(Br)(C(Br)c1ccc(cc1)C#N)C(=O)NCc2ccccc2,0.0
81013,CO-ADD:0254663,-14.13,C(C(OCC)=O)(C(c(ccs1)c1)C2=C(N3c(cccc4C(F)(F)F)c4)CCCC2=O)=C3N,0.0
81014,CO-ADD:0248049,-14.14,[N+](=O)([O-])c1cccc(c1C)C(=O)Oc2cccc(cccn3)c23,0.0
81015,CO-ADD:0254975,-14.14,n1(nnc(C(=O)N\N=C\c(ccc(c2OCC)OC)c2)c1CN(CC3)CCO3)c4nonc4N,0.0
81016,CO-ADD:0247785,-14.15,c1(Cc(c23)cccc2)c3ccc(C(CSCC(=O)Nc(ccc(c45)cccc4)c5)=O)c1,0.0
81017,CO-ADD:0254651,-14.15,N1(c2ccc(cc2)F)C(=O)c3c(NC1c4ccccc4Cl)cccc3,0.0
81018,CO-ADD:0255115,-14.15,N(C(C)(C)C)(\C=C(\Cl)/Cl)C(=O)N\N=C\c1ccccc1F,0.0
81019,CO-ADD:0284506,-14.16,c(C(=O)c(cc1)ccc1c(cc2)ccc2C(=O)c(sc(c34)nc(c(C)c3C)C)c4N)(sc(c56)nc(c(C)c5C)C)c6N,0.0
81020,CO-ADD:0284339,-14.16,C(=O)(NC(=O)Nc1c(Cl)ccc(Cl)c1)c2c(C)cc(nc2Cl)Cl,0.0
81021,CO-ADD:0284571,-14.17,S(=O)(=O)(c(cccc1C(=O)Nc2cc(on2)C)c1)Nc(cc3)ccc3C,0.0
81022,CO-ADD:0284556,-14.17,c1(C(O)c2cccc(cccc3)c23)n(CC)c4c(cccc4)n1,0.0
81023,CO-ADD:0284572,-14.17,S(=O)(=O)(c(cccc1c2nnc(c3ccccc3)o2)c1)Nc4ccccc4C,0.0
81024,CO-ADD:0284158,-14.18,N1(C(=O)CC(CC1=O)(C)C)c2sc(c3n2)cccc3,0.0
81025,CO-ADD:0284151,-14.18,C(=N\c1cccc(cccc2)c12)(/SC(C3=O)CC(=O)Nc4ccccc4)\N3C,0.0
81026,CO-ADD:0283442,-14.18,C(=O)(Nc1cccc(c1)NCc(cc2)ccc2N(C)C)c3ccccc3Cl,0.0
81027,CO-ADD:0279177,-14.18,c1(sc(c2n1)cccc2)S\C(\C(C)=O)=N\Nc3cccc(Cl)c3,0.0
81028,CO-ADD:0278770,-14.18,c1(SCC(=O)Nc(ccc(c2s3)nc3SCC)c2)sc4c(ccc(N)c4)n1,0.0
81029,CO-ADD:0278235,-14.18,N1C(=O)\C(\SC1=N)=C\c(ccc2c(cc3)c(C)c(c3[N+](=O)[O-])C)o2,0.0
81030,CO-ADD:0136183,-14.18,O=C(N(C)c(c1C2=O)nc(Oc(cccc3)c3)n1C)N2C,0.0
81031,CO-ADD:0136112,-14.18,C(NC(=N)n1c(C)cc(C)n1)(c2ccccc2)=O,0.0
81032,CO-ADD:0136128,-14.19,c1nc([N+](=O)[O-])c(Sc2n(nc(N)n2)[H])n1C,0.0
81033,CO-ADD:0136328,-14.19,c1c(C=CC(=O)C=Cc(c(OC)ccc2)c2)c(O)ccc1,0.0
81034,CO-ADD:0136256,-14.2,[H]N1C(C(C(O)(C)c(ccc2)cc2)c(cccc3)c3)CCCC1,0.0
81035,CO-ADD:0136345,-14.2,O=C(C(C#N)C1(CC(C(F)(F)F)CCC1)C(C#N)C2=O)N2[H],0.0
81036,CO-ADD:0256785,-14.2,N1(c2ccc(cc2)I)C(=O)\C(\SC1=S)=C\c3ccc(cc3O)O,0.0
81037,CO-ADD:0255978,-14.2,S(=O)(=O)(c1ccc(cc1)F)N(CC2)CCN2c3ccccc3OC,0.0
81038,CO-ADD:0253611,-14.2,C1(C(=O)Nc(cccc2C(F)(F)F)c2)C(C13)C(CC4)CC34,0.0
81039,CO-ADD:0249928,-14.21,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(OC)c3)OC,0.0
81040,CO-ADD:0256307,-14.21,C1(C(OCCSCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
81041,CO-ADD:0255853,-14.22,C(C#N)(C1c(cc2)ccc2N(C)C)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)OC,0.0
81042,CO-ADD:0254892,-14.22,c1(C(=O)N\N=C\c(ccc2c(cc3)c(OC)cc3[N+](=O)[O-])o2)nonc1N,0.0
81043,CO-ADD:0252322,-14.23,C1(=O)C(\C(\C)=N\N(Cc2ccccc2)Cc3ccccc3)C(NN1c4ccccc4)(C)c5ccccc5,0.0
81044,CO-ADD:0252505,-14.23,N1(c2ccccc2)C(=O)c3c(N=C1SCc(cc4)ccc4F)cccc3,0.0
81045,CO-ADD:0255040,-14.23,N1(CC(CC1C(=O)Nc(cc2)ccc2Br)O)C(=O)OCc3ccccc3,0.0
81046,CO-ADD:0255062,-14.24,N(c1ccc(c(Cl)c1)Cl)(C(=O)C(C23)NN=C2C(OC)=O)C3=O,0.0
81047,CO-ADD:0252308,-14.24,C(CSCc1ccccc1)(=O)N\N=C(\C2)/CCCCCCCCCC2,0.0
81048,CO-ADD:0247430,-14.24,C(=O)(c1ccc(cc1)CCCCCCC)Oc2cccc(c2)NC(Cc3ccccc3)=O,0.0
81049,CO-ADD:0252269,-14.24,C1(C(=O)OC2CCCC2)=C(C)NC(=C3C1c4cccc(I)c4)CCCC3=O,0.0
81050,CO-ADD:0254372,-14.24,c12c(nnc(N\N=C/c3cccc(C)n3)n1)c(c4[nH]2)cccc4C,0.0
81051,CO-ADD:0248962,-14.25,N1(C(c2ccco2)CC(c3ccc(cc3)OC)=N1)c4scc(c5ccccc5)n4.Br,0.0
81052,CO-ADD:0249238,-14.25,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(=O)C(C3C1=O)C(CC4)C=CC34,0.0
81053,CO-ADD:0249733,-14.25,C(C(OCC)=O)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CCCC3=O)=C13)c4ccccc4,0.0
81056,CO-ADD:0283832,-14.25,S(=O)(=O)(Nc(cc1)ccc1F)c2csc(C(=O)Nc3ccccc3)c2,0.0
81057,CO-ADD:0284206,-14.25,S(c1ccccc1)(=O)(=O)N2CCC(CC2)C(=O)N\N=C(\c3c(N4)cccc3)/C4=O,0.0
81058,CO-ADD:0284214,-14.26,C(C1CCN2CC1)(C2)(C#N)N(CC3)CCO3,0.0
81059,CO-ADD:0284230,-14.26,n1(C(c2ccccc2)=O)c(C)c(c(C)n1)Cl,0.0
81060,CO-ADD:0284238,-14.26,n1(c(C)ccc1C)c2cccc(c2)C(=O)N\N=C\c(ccc3c4ccccc4[N+](=O)[O-])o3,0.0
81061,CO-ADD:0284502,-14.26,N(c1c(ccc(Cl)c1)C(O2)=O)=C2c(cccc3C4=Nc5c(ccc(Cl)c5)C(=O)O4)c3,0.0
81062,CO-ADD:0284468,-14.26,S(=O)(=O)(N(C)C)c(ccc(c1n2)n(c2C)c3ccccc3)c1,0.0
81063,CO-ADD:0283276,-14.26,S(CCCSc1oc(c2n1)cccc2)(=O)(=O)[O-].[Na+],0.0
81064,CO-ADD:0284524,-14.26,c12c(nnc(SC(CC)C(=O)Nc3ccc(cn3)Cl)n1)c4c(cccc4)n2C,0.0
81065,CO-ADD:0284906,-14.26,S(c1ccccc1)(=O)(=O)N2CCC([C@@]([H])(CCCC3)[C@]23[H])=O,0.0
81066,CO-ADD:0283906,-14.26,C(=O)(NC(CC1(C)C)CC(N1)(C)C)C(=O)Nc(cc2)ccc2OCCCCC,0.0
81067,CO-ADD:0278172,-14.27,s1c(COc2cccc(C)c2C)nnc1N,0.0
81068,CO-ADD:0278766,-14.27,C(F)(F)(F)c(cc(cc1C(F)(F)F)C(NCCOc2ccccc2OC)=O)c1,0.0
81069,CO-ADD:0277341,-14.27,C1(C)(C(C)(C)N(C(=S)S1)C)\[N+](\[O-])=C\c(cccc2[N+](=O)[O-])c2,0.0
81070,CO-ADD:0277807,-14.27,C1(C)(c2ccc(cc2)Cl)SCC(=O)N1,0.0
81071,CO-ADD:0283170,-14.28,c1(c2c([nH]c1C)cccc2)C(c(cccc3[N+](=O)[O-])c3)c4c5c([nH]c4C)cccc5,0.0
81072,CO-ADD:0284010,-14.28,C(C(=O)OCC(C)C)(C1c(cc2)ccn2)=C(C)NC(CC(c3ccc(cc3)OC)CC4=O)=C14,0.0
81073,CO-ADD:0257752,-14.28,N1(Cc2ccccc2)\C(=N\c3ccccc3)\S\C(=C\c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)\C1=O,0.0
81074,CO-ADD:0257201,-14.28,N1(C(c2ccc(cc2)Cl)CC(c3ccc(cc3)C)=N1)c4scc(c(cc5)ccc5NS(=O)(=O)c6ccc(cc6)C)n4.Br,0.0
81075,CO-ADD:0258752,-14.28,c1(NC(NC)=S)sc2c(CCC(C(C)(C)C)C2)c1C(OCC)=O,0.0
81076,CO-ADD:0258784,-14.28,C(=O)(NNC(CC(c1ccccc1)CC2=O)=C2)c(cccn3)c3,0.0
81077,CO-ADD:0258102,-14.29,C(=C\c(ccc(c1Br)O)c1)(/C(=O)N(C)C(N2C)=O)\C2=O,0.0
81078,CO-ADD:0257295,-14.29,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)NC(=O)c6cccc(C)c6)n1,0.0
81079,CO-ADD:0255621,-14.3,N1(C(C)CC(c(cccc2)c12)Nc3ccccc3)C(=O)c4cccc(OC)c4,0.0
81080,CO-ADD:0256844,-14.3,n(cc1)ccc1CCNCCO.Cl.Cl,0.0
81081,CO-ADD:0250483,-14.31,c1(NC(=O)c(cc2)ccc2C(c3ccccc3)=O)sc(c4c1C(OCC)=O)CCCC4,0.0
81082,CO-ADD:0253857,-14.31,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Oc2cccc(cccn3)c23,0.0
81083,CO-ADD:0256163,-14.32,c1(c(O)ccc(cccc2)c12)C3N(CCN3Cc4ccccc4)Cc5ccccc5,0.0
81084,CO-ADD:0253997,-14.33,n(c1C)(nnc1C(=O)N\N=C\c2cccc(C)c2)c3nonc3N,0.0
81085,CO-ADD:0254346,-14.33,C(=O)(NCc1ccco1)c2ccc(c3c2)cccc3,0.0
81086,CO-ADD:0254543,-14.33,C(=N/c1ccccc1)(/SC=C2c3ccc(cc3)Cl)\N2CCO.Br,0.0
81087,CO-ADD:0247683,-14.33,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)c(cc2O)nc(n2)SC,0.0
81088,CO-ADD:0247717,-14.34,N(C(CCC(=O)N\N=C\c1cccc(I)c1)=O)c2ccc(cc2C)C,0.0
81089,CO-ADD:0252764,-14.34,N1(c2cccc(c2)c(csc3N4C(c5ccc(cc5)F)CC(c6cccs6)=N4)n3)C(=O)c7c(cccc7)C1=O.Br,0.0
81090,CO-ADD:0247841,-14.34,n1c2c(oc1c3ccc(cc3)OCC)ccc(c2)\N=C\C=C\c(cccc4[N+](=O)[O-])c4,0.0
81091,CO-ADD:0248259,-14.34,c1(\N=C\c(cc(Br)cc2[N+](=O)[O-])c2O)c(c3ccc(c(OCC)c3)O)nc(cccc4)n14,0.0
81092,CO-ADD:0249308,-14.35,N1(c(cc2)ccc2C(C)=O)C(=O)C3C(C4\C(=C(\C)/C)\C3C=C4)C1=O,0.0
81093,CO-ADD:0254301,-14.35,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(CCc4ccccc4)=O)n1,0.0
81094,CO-ADD:0254771,-14.35,s1c(N)nnc1SCC(=O)Nc(cc2)ccc2[N+](=O)[O-],0.0
81095,CO-ADD:0249448,-14.36,C1(C(NCCO)=O)=Cc(cc(Br)cc2Br)c2OC1=O,0.0
81096,CO-ADD:0249121,-14.36,C1(Cl)(Cl)C(C1CC2)CCC3C2C3C(=O)Nc4cccc(C)c4,0.0
81097,CO-ADD:0134096,-14.37,Fc1ccc(CNC(=O)c2[nH]c(N)cn2)cc1,0.0
81098,CO-ADD:0134090,-14.37,O=C(c1n(CCc2ccc(OC(F)(F)F)cc2)cc([N+](=O)[O-])n1)N,0.0
81099,CO-ADD:0278425,-14.37,c(C(OCC)=O)(sc(c1c2C)nc(c2C(=O)Nc3ccccc3)C)c1N,0.0
81100,CO-ADD:0283139,-14.37,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cccc3C(F)(F)F)c3)\N2CCO)N4CCCC4.Br,0.0
81101,CO-ADD:0284427,-14.38,C(=O)(C(O)(c1ccccc1)c2ccccc2)NN(c3ccccc3)C(=O)c4ccccc4F,0.0
81102,CO-ADD:0283037,-14.38,C1(C)(CCC2C3(C)COC(C)(C)O2)C3CCC(C)C14CCC(C)(CO)O4,0.0
81103,CO-ADD:0283103,-14.38,n1c(c2ccc(cc2)CC(C)C)csc1Nc(ccc(c34)OCO3)c4,0.0
81104,CO-ADD:0283391,-14.38,c12c(nc(C)nc1Oc3cccc(Cl)c3)c4c(cccc4)o2,0.0
81105,CO-ADD:0259563,-14.38,n1(c2c(nc1SCC(OCC)=O)cccc2)C(OCCCC)=O,0.0
81106,CO-ADD:0258372,-14.39,c1(Sc2ccc(\C=N\c(ccc(c34)c5c(cccc5)o3)c4)o2)sc6c(ccc(OCC)c6)n1,0.0
81107,CO-ADD:0258636,-14.39,C(=C\c1cccc(c1)OCc2ccccc2Cl)(/C3=O)\Sc(c34)cccc4,0.0
81108,CO-ADD:0259077,-14.4,C(=N/c(cc1)ccc1C)(/S\C(\C2=O)=C\c(ccc(c3OCC)OCc4cccc(cccc5)c45)c3)\N2,0.0
81109,CO-ADD:0258486,-14.4,n1c(c2ccccc2)nnn1CC(=O)Nc(cccc3[N+](=O)[O-])c3,0.0
81110,CO-ADD:0258590,-14.4,c12c(nc(nc1N(CC3)CCO3)C)c4c(cccc4)o2,0.0
81111,CO-ADD:0259143,-14.4,N1(CCC#N)C(C)(O)C(OC1=O)(C)C,0.0
81112,CO-ADD:0257370,-14.4,c1(c(Cl)ccc(c1)n2cnnn2)[N+](=O)[O-],0.0
81113,CO-ADD:0257715,-14.41,C(/C#N)(\C(OCC)=O)=C/c(cc1I)cc(c1OCc2ccccc2)I,0.0
81114,CO-ADD:0257259,-14.41,c1(NC(=O)c2cccc(Cl)c2)sc(c3c1C(OCC)=O)CCCC3,0.0
81115,CO-ADD:0257205,-14.42,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(ccs3)c3)c4sc(c5c4C(OCC)=O)CCCCC5,0.0
81116,CO-ADD:0257269,-14.43,c1(C(N(CC2)CCO2)c3ccc(cc3Cl)Cl)nnnn1c4cccc(Cl)c4,0.0
81117,CO-ADD:0283092,-14.43,c(C(=O)Nc(cc1)ccc1Br)(sc(c23)nc(c(C#N)c2c4ccccc4)N)c3N,0.0
81118,CO-ADD:0278204,-14.43,c1(SCC(=O)NCC2CCCO2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)OCCCC)n1,0.0
81119,CO-ADD:0278813,-14.43,C(=CNC(N1)=O)(NC(=O)c(ccc(c2[N+](=O)[O-])C)c2)C1=O,0.0
81120,CO-ADD:0278613,-14.44,c1(c(C)onc1c2ccccc2Cl)C(=O)n3cc(cn3)Br,0.0
81121,CO-ADD:0278344,-14.44,N1(CN2CCCCC2C)N=C(OC1=S)c3ccccc3,0.0
81122,CO-ADD:0278792,-14.44,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c4cccs4)\C1=O,0.0
81123,CO-ADD:0257319,-14.44,n1(nc(cc1O)NC(=O)c(cccc2N3C(=O)CCC3=O)c2)c4c(Cl)cc(cc4Cl)Cl,0.0
81124,CO-ADD:0258103,-14.44,c1(cc(ccc1N2CCC(CC2)C)\C=C(/SC(N3)=N)\C3=O)[N+](=O)[O-],0.0
81125,CO-ADD:0257320,-14.45,C1(C(=O)OCc(cc2)ccc2OC)=C(C)NC(NC1c3ccccc3OC(C)C)=O,0.0
81126,CO-ADD:0258120,-14.45,C(=N/c1cccc(C)c1)(/S\C(\C2=O)=C\c3ccc(cc3OC)OC)\N2,0.0
81127,CO-ADD:0257570,-14.46,C(=O)(C(C)Oc1ccc(cc1Cl)Cl)NNC(=O)c2ccc(c(O)c2)O,0.0
81128,CO-ADD:0256539,-14.46,N1(C(c2ccco2)CC(c3ccc(cc3)OC)=N1)c4scc(c(ccc(c5F)OC)c5)n4.Br,0.0
81129,CO-ADD:0253990,-14.46,S(O)(=O)(=O)c1ccccc1\C(\c(cc(C)c(c2Br)O)c2)=C(\C=C3C)/C=C(C3=O)Br,0.0
81130,CO-ADD:0253976,-14.46,c1(C(OCC)=O)c(cc(O)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCO4,0.0
81131,CO-ADD:0254038,-14.46,c(C#N)(c(\C(\C#N)=C\c(ccc1c2ccc(c(Cl)c2)C)o1)nn3c4ccccc4)c3N,0.0
81132,CO-ADD:0257072,-14.46,C(NCCc(cc1)ccc1Cl)(=O)C(NCCCCCCCC)=O,0.0
81133,CO-ADD:0254060,-14.47,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)S\C(\NC)=N\c3cc(Cl)cc(Cl)c3,0.0
81134,CO-ADD:0254360,-14.48,S(=O)(=O)(c1ccc(cc1)NC(CSc2nnc(\N=C\N(C)C)s2)=O)\N=C\N(C)C,0.0
81135,CO-ADD:0255070,-14.48,S(=O)(=O)(Nc1ccccc1F)c2c(C(C)C)cc(cc2C(C)C)C(C)C,0.0
81136,CO-ADD:0249326,-14.48,N1(c2ccc(c(Cl)c2)Cl)C(=O)C3C(C(\C(=C(/C)\C)\C34)C=C4)C1=O,0.0
81137,CO-ADD:0247657,-14.48,[N+](=O)([O-])c1cccc(c1)\C=N\NC(=O)CC2(CCCCC2)O,0.0
81138,CO-ADD:0254708,-14.48,C(=O)(C(c1ccccc1)c2ccccc2)NC(C)C(=O)Nc(cc3)ccc3OC,0.0
81139,CO-ADD:0252502,-14.49,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c(ccc4c(cccc5[N+](=O)[O-])c5)o4)n1,0.0
81140,CO-ADD:0254767,-14.49,C(OCC)(CNc1ccccc1)=O.Cl,0.0
81141,CO-ADD:0252514,-14.49,S(=O)(=O)(c1ccc(cc1)\N=C\c2cccc(OC)c2OC)Nc3ccccn3,0.0
81142,CO-ADD:0249789,-14.5,N1(c2c(C)ccc(Cl)c2)C(=O)c3c(c4C1=O)c(c(CC5)cc3)c5cc4,0.0
81143,CO-ADD:0252824,-14.5,n1(c2ccccc2)c(SCc(cc3)ccc3OC)nnc1c4ccc(c(OC)c4)OC,0.0
81144,CO-ADD:0248018,-14.51,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C\c6c(cccc6Cl)Cl)n1,0.0
81145,CO-ADD:0247835,-14.51,c1(c2ccccc2F)nnc(S)n1c3ccccc3,0.0
81146,CO-ADD:0135139,-14.51,Cc1nc(OCc2ccc(OC(F)(F)F)cc2)c3n(cc([N+](=O)[O-])n3)c1,0.0
81147,CO-ADD:0278360,-14.51,Cc(c1C)ccc(OCC(N(C)C2=S)=NN2[C@H]3CC(=O)[C@H](O4)O[C@@H]3C4)c1,0.0
81148,CO-ADD:0279095,-14.52,N1(C2c3ccccc3OC)C(S\C(=C\c(ccc(c4OC)O)c4)\C1=O)=NC(c5ccccc5)=C2C(OCC)=O,0.0
81149,CO-ADD:0279103,-14.52,n(Cc(cc1OC)c(OC)cc1Cn(c(Cl)c(n2)Cl)c2Br)(c(Cl)c(n3)Cl)c3Br,0.0
81150,CO-ADD:0278912,-14.52,N1(C(=O)c(cc2)ccc2C(C)(C)C)N=C(CC1(O)c(cccn3)c3)C,0.0
81151,CO-ADD:0278703,-14.53,C(N\N=C\c1ccccc1OCc2ccccc2)(=S)Nc3ccccc3,0.0
81152,CO-ADD:0283116,-14.53,C(C(=O)OCC1CCCO1)(C2c(cc3)ccc3N(CC)CC)=C(C)NC(CCCC4=O)=C24,0.0
81153,CO-ADD:0258295,-14.54,n1c(c2ccc(cc2)C)[nH]c(c(cc3)ccc3c4ccccc4)c1c(cc5)ccc5c6ccccc6,0.0
81154,CO-ADD:0258651,-14.54,N12c(c(C3C(CCC3)C1)c4)c(C5C(CCC5)C2)cc4NC(=O)c6ccccc6OC,0.0
81155,CO-ADD:0258004,-14.54,N(c1ccc(cc1)F)(C(c2cccc(OC)c2)C=C3Nc(cc4)ccc4F)C3=O,0.0
81156,CO-ADD:0257773,-14.54,N1(Cc2ccccc2)\C(=N/Cc3ccccc3)\S\C(=C\c(ccc(c4)N(CC)CC)c4OC)\C1=O,0.0
81157,CO-ADD:0257423,-14.55,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2ccccc2C(=S)N3CCCCC3)c1C,0.0
81158,CO-ADD:0257544,-14.55,c1(c2ccc(OC(CSC(N)=N)=O)c1)OC(C=C2C)=O.Cl,0.0
81159,CO-ADD:0284459,-14.55,C1(C(N)=O)=Cc2c(OC1=O)ccc(cccc3)c23,0.0
81160,CO-ADD:0283251,-14.55,S(=O)(=O)(Nc1ccccc1O)c(c(Cl)cc(c2C(=O)Nc3ccccc3O)Cl)c2,0.0
81161,CO-ADD:0284531,-14.56,n1(c2c(n3)cccc2)c3S\C(=C\c(ccc4c5cccc(Cl)c5)o4)\C1=O,0.0
81162,CO-ADD:0284196,-14.57,c1(C#N)c(C)c(C)c(nc1SCC(=O)c(cc2)ccc2[N+](=O)[O-])C,0.0
81163,CO-ADD:0283620,-14.57,N(Cc1ccccc1Cl)(c(cccc2)c2C3(O)CC(=O)c4ccc(cc4)F)C3=O,0.0
81164,CO-ADD:0283597,-14.57,N1(c(cccc2C(F)(F)F)c2)C(=O)C(C(C1=O)C34C(C)=O)C(c(c35)cccc5)c(c46)cccc6,0.0
81165,CO-ADD:0279029,-14.59,c12c(ncnc1SCC(OCC)=O)[nH]cn2,0.0
81166,CO-ADD:0277407,-14.59,c(C#N)(c(N)n(n1)CCO)c1\C(\C#N)=C\c2cc(I)cc(I)c2OC(C)C,0.0
81167,CO-ADD:0284856,-14.6,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(c(cccc4)c4n5Cc6ccccc6C#N)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
81168,CO-ADD:0257673,-14.6,c(cc(cc1C(OC)=O)[N+](=O)[O-])([N+](=O)[O-])c1N(CC2)CCN2c3ccccc3OC,0.0
81169,CO-ADD:0257209,-14.6,N1(c2cccc(c2)c3csc(Nc(cc4)ccc4Oc5ccccc5)n3)C(=O)c6c(cccc6)C1=O.Br,0.0
81170,CO-ADD:0279131,-14.6,C(C(OCC)=O)(C1c2ccc(cc2)F)=C(Nc3ccccc3)CC(C)(O)C1C(OCC)=O,0.0
81171,CO-ADD:0279155,-14.6,N1(c2ccccc2)\C(=N\c3ccccc3)\S\C(=C/c(ccc4c5cc(Cl)cc(Cl)c5)o4)\C1=O,0.0
81172,CO-ADD:0277436,-14.61,C(=N\c1ccccc1)(/S\C(\C2=O)=C\C=C\c3ccccc3)\N2C4CCCCC4,0.0
81173,CO-ADD:0259012,-14.61,C(/c1c2cccc1)(=N/c3cc(C)ccc3C)\c(cc(cccc4)c4n5)c25,0.0
81174,CO-ADD:0257274,-14.61,c1(C2(CCCCC2)N(C)C)nnnn1c3cccc(Cl)c3,0.0
81175,CO-ADD:0257699,-14.62,N1(C(C(C)C)C(O2)=O)C2(C)CC(C)(C)NC1=S,0.0
81176,CO-ADD:0257612,-14.62,N1(C2c3cccs3)C(S\C(=C\c(cc4)ccc4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
81177,CO-ADD:0257644,-14.63,N1(c2ccc(cc2)CC)C(=O)C3C(C(CCC4)C4=C5C3CCC5)C1=O,0.0
81178,CO-ADD:0256521,-14.63,c1(SCC(=O)Nc(cc2)ccc2OCCCC)sc3c(ccc(c3)\N=C\c4c(cccc4Cl)F)n1,0.0
81179,CO-ADD:0253856,-14.63,[N+](=O)([O-])c1c(Cl)ccc(c1)C(=O)Oc2cccc(cccc3)c23,0.0
81180,CO-ADD:0254086,-14.64,n1(nnc(C(=O)N\N=C\c(cc2)ccc2[N+](=O)[O-])c1CN3CCc(c4C3)cccc4)c5nonc5N,0.0
81181,CO-ADD:0253350,-14.65,C1(c2cc(I)ccc2Cl)=N\C(\C(=O)S1)=C\c3ccc(C)o3,0.0
81182,CO-ADD:0253662,-14.65,C(=C/c1cc(c(C)s1)Br)(/C2=O)\C(c3ccccc3)=NO2,0.0
81183,CO-ADD:0253150,-14.65,S(=O)(=O)(N1CCCCC1)c2c(Cl)ccc(C(N)=O)c2,0.0
81184,CO-ADD:0252494,-14.65,C(=O)(c1ccc(c(OC)c1)OC)Nc2cccc(Cl)c2C,0.0
81185,CO-ADD:0255037,-14.65,S(=O)(=O)(c1ccc(c(OC)c1)OC)N(CC(=O)Nc2cccc(Cl)c2)c3c(OC)ccc(OC)c3,0.0
81186,CO-ADD:0254743,-14.65,C(C(OCCOC)=O)(C(c1ccc(cc1)Br)N2)=C(C)N(C2=O)CC,0.0
81187,CO-ADD:0249035,-14.66,c1(CC(C)=O)c(C(O)=O)c(nn1c2ccccc2)C,0.0
81188,CO-ADD:0249692,-14.66,S1(=O)(=O)c(cccc2)c2C(N(C)c3ccc(cc3)OC(=O)c4cccc(cccc5)c45)=N1,0.0
81189,CO-ADD:0254354,-14.66,c1(N2CCC(CC2)C)nc(N\N=C\c3ccccc3Cl)nc(Nc4cccc(C)c4C)n1.Cl,0.0
81190,CO-ADD:0254567,-14.66,c1(S(CCC)(=O)=O)c(C(=O)c2ccc(cc2)F)n(c3c1S(CCC)(=O)=O)cc(cc3C)C,0.0
81191,CO-ADD:0255042,-14.66,n1c(c2ccc(c(C)c2)C)csc1Nc(ccc(c34)OCO3)c4.Br,0.0
81192,CO-ADD:0255027,-14.67,N1(c(cccc2C(F)(F)F)c2)C(=O)\C(\SC1=S)=C/c3ccccc3Sc(cc4)ccc4Cl,0.0
81193,CO-ADD:0254804,-14.67,N(=C\c(ccc(c1OC)OC)c1)/c2cc(C)ccc2C,0.0
81194,CO-ADD:0248940,-14.67,C1(C(OCCc2ccccc2)=O)=C(C)NC(=O)NC1c(cc3)ccc3[N+](=O)[O-],0.0
81195,CO-ADD:0249096,-14.67,C(C1)(C2)(CN(CN2C3)CN13)\C(=N/N=C/c(cc4)ccc4C)\c(cccc5[N+](=O)[O-])c5,0.0
81196,CO-ADD:0283196,-14.67,c(c1c(Br)cc2C(C(OC)=O)C(OC)=O)(c(c3c(C4=O)cccc3)on1)c24,0.0
81197,CO-ADD:0279194,-14.68,N1(c2ccc(cc2)Br)C(=O)CC(N(CCc(ccc(c3OC)OC)c3)C(=O)\C=C\C(O)=O)C1=O,0.0
81198,CO-ADD:0278525,-14.68,c1(c2c(sc1NC(=O)c3ccccc3F)CCCC2)C(=O)N(CC4)CCN4C,0.0
81199,CO-ADD:0283022,-14.69,n(c1C)(nnc1C(=O)N2CCCCCC2)c3nonc3N,0.0
81200,CO-ADD:0284077,-14.69,c12c(nnc(SCC(=O)Nc3ncccn3)n1)c4c(cccc4)n2C,0.0
81201,CO-ADD:0284157,-14.69,N1(c2ccccc2C)C(C)=Nc(c3C1=O)ccc(Br)c3,0.0
81202,CO-ADD:0258017,-14.69,O1C(COC(=O)c2ccc(cc2)C)CC(O)C1OC,0.0
81203,CO-ADD:0257394,-14.69,c1(\C(\C)=N\N=C(\SC=C2c3ccc(cc3)Br)/N2)c(C)non1,0.0
81204,CO-ADD:0257810,-14.69,n1(c(ccc(c2C)C)c2n3)c3S\C(=C\c(ccc(c4OCC)OC)c4)\C1=O,0.0
81205,CO-ADD:0257523,-14.7,C(C)(NC(=O)Oc1c(C)cccc1C)(C(F)(F)F)C(F)(F)F,0.0
81206,CO-ADD:0257190,-14.7,N1(CC(=O)NC(SCC2=O)=N2)C(=O)c(c3C1=O)cccc3,0.0
81207,CO-ADD:0257254,-14.7,c1(cn(nc1C(=O)Oc(cc2)ccc2\C=C(\C#N)/C#N)C)[N+](=O)[O-],0.0
81208,CO-ADD:0257744,-14.7,S(=O)(=O)(c1ccc(cc1)C)N(c2c(OC)ccc(Cl)c2)CC(=O)N(CC3)CCN3c4ccccc4OC,0.0
81209,CO-ADD:0257273,-14.7,c1(C(c2ccc(cc2)Cl)N(CC3)CCO3)nnnn1c4cccc(Cl)c4,0.0
81210,CO-ADD:0258952,-14.7,N1(c2ccc(cc2)F)C(=O)CC(N(CC3)CCN3C(OCC)=O)C1=O,0.0
81211,CO-ADD:0257252,-14.71,c1(C(=O)Oc(cc2)ccc2\C=C(/C#N)\C#N)nn(cc1I)C,0.0
81212,CO-ADD:0284375,-14.71,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)Nc5cccc(C)c5,0.0
81213,CO-ADD:0284415,-14.71,c1(cc(ccc1Oc2ccc(cc2OC)\C=N/NC(=O)Nc3ccccc3)C(F)(F)F)[N+](=O)[O-],0.0
81214,CO-ADD:0284641,-14.72,N1C(CSC(CC(=O)Nc2ccccc2)C1=O)C(OCC)=O,0.0
81215,CO-ADD:0283437,-14.72,c1(c2cccc(c2)NCc(cccn3)c3)sc(c4n1)cccc4,0.0
81216,CO-ADD:0278839,-14.73,c1(NC(=O)c2cc3c(cc2NS(c4ccccc4)(=O)=O)cccc3)sc(c(C)c1C(OCC)=O)C,0.0
81217,CO-ADD:0283567,-14.73,n1(c2ccccc2)nnnc1SCC(=O)Nc(ccc(c3s4)nc4SCC(=O)NC5CC5)c3,0.0
81218,CO-ADD:0284791,-14.74,c(C(N)=O)(sc(c12)nc(c(CC(c3ccccc3)=O)c1C)C)c2N,0.0
81219,CO-ADD:0284815,-14.74,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1ccco1)Nc2nc(cccc3)c3nc2C(F)(F)F,0.0
81220,CO-ADD:0283787,-14.74,n12c(ccc(cccc3)c13)nnc2c4cccc(F)c4,0.0
81221,CO-ADD:0278284,-14.75,N1(c2ccccc2)C(=O)\C(=C\c3cc(Br)ccc3O)\C(NC1=S)=O,0.0
81222,CO-ADD:0278324,-14.75,C(CCC(OC(C)C)=O)(=O)Nc(cc1)ccc1F,0.0
81223,CO-ADD:0278619,-14.75,N1(c2ccc(c(OC)c2)OC)C(=O)c3c(cc(cc3)C)C1=O,0.0
81224,CO-ADD:0259861,-14.75,N1(C=C(C)C(NC1=O)=S)c2c(c3ccccc3)sc(c4ccccc4)n2,0.0
81225,CO-ADD:0259686,-14.75,C1(C(=O)N\N=C\c(cc2)ccc2N(C)C)C3CCCC1C3c4ccccc4,0.0
81226,CO-ADD:0259694,-14.75,S(NCCSc1sc(c2n1)cccc2)(=O)(=O)c3ccccc3[N+](=O)[O-],0.0
81227,CO-ADD:0259679,-14.77,C1(\C=C(/C2=O)\C(=O)NC(=O)N2)=C(C)N(N(c3ccccc3)C1=O)C,0.0
81228,CO-ADD:0283525,-14.77,N12C(S\C(=C\c(ccc(c34)OCO3)c4)\C1=O)=NC(C)=C(C(OCC)=O)C2c5cccc(cccc6)c56,0.0
81229,CO-ADD:0278717,-14.78,C(/C#N)(=C/c(ccc(c1OC)OCc(cc2)ccc2F)c1)\C(=O)Nc(cc3)ccc3OC,0.0
81230,CO-ADD:0253380,-14.79,c1(c(O)c(\C=N\NC(=O)\C(=C\c(cc2)ccc2[N+](=O)[O-])\NC(c3ccccc3)=O)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
81231,CO-ADD:0257071,-14.79,C(=O)(NCc(cc1)ccc1C)C(NCCCN(CC2)CCO2)=O,0.0
81232,CO-ADD:0250453,-14.79,n12c(S\C(=C\c(c3)c(N(CC4)CCO4)cc(N(CC5)CCO5)c3[N+](=O)[O-])\C1=O)nc(cc(C)c(C)c6)c26,0.0
81233,CO-ADD:0250608,-14.79,N1(c2cccc(Cl)c2)C(=O)\C(\SC1=S)=C/c(cc3)ccc3NC(C)=O,0.0
81234,CO-ADD:0250611,-14.81,N1C(=O)\C(\SC1=S)=C/c(ccs2)c2,0.0
81235,CO-ADD:0255548,-14.81,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cc2)ccc2OC)n(c3c1S(CCC)(=O)=O)ccc(c(cc4)ccn4)c3,0.0
81236,CO-ADD:0249550,-14.81,N(c1c(Cl)ccc(c1)C(F)(F)F)(C(=O)C(C23)C(C=C4)OC24CO)C3=O,0.0
81237,CO-ADD:0254678,-14.81,c(C#N)(c(\C(\C#N)=C\c1cc(Br)ccc1OCc2ccccc2)nn3c4ccccc4)c3N,0.0
81238,CO-ADD:0254695,-14.82,c1(nc(c(C(C)=O)s1)C)N2C(c3ccc(cc3)F)CC(c4cccs4)=N2.Cl,0.0
81239,CO-ADD:0247486,-14.82,[S-](=O)(=O)Oc1cccc(cc(N)cc2)c12.[N+]([H])([H])([H])[H],0.0
81241,CO-ADD:0252342,-14.83,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccccc5)SC(=NN2c6ccccc6)c7ccccc7,0.0
81242,CO-ADD:0249013,-14.85,C(C(OCC)=O)(C1c(cc2OC)cc(c2OC)OC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
81243,CO-ADD:0248991,-14.85,c1(NC(CCCCCC)=O)nnc(CC)s1,0.0
81244,CO-ADD:0247528,-14.85,c1(C#N)c2c(sc1\N=C\c(cc3I)cc(c3OCc4ccccc4)I)CCCC2,0.0
81245,CO-ADD:0249297,-14.85,S(=O)(=O)(Nc(cc1)ccc1OC)c(c(C)ccc2S(=O)(=O)c(ccc(c3S(=O)(=O)Nc(cc4)ccc4OC)C)c3)c2,0.0
81246,CO-ADD:0249462,-14.85,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3scc(c4ccc(cc4)I)n3,0.0
81247,CO-ADD:0284095,-14.86,c(C(OCC)=O)(cc1c(n2)ccc(OCc3ccccc3)c1)c2C,0.0
81248,CO-ADD:0284135,-14.86,C1(C(=O)OCC2CCCO2)=C(C)NC(NC1c3ccccc3OCCC)=O,0.0
81249,CO-ADD:0284159,-14.86,n1(C)c(COc2ccccc2C)nnc1S,0.0
81250,CO-ADD:0279183,-14.86,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c3ccc(cc3OC)OC)sc(c4n1)cccc4,0.0
81251,CO-ADD:0284128,-14.87,n1(c2c(nc1SCC(OCC)=O)cccc2)C(=O)Oc3ccccc3,0.0
81252,CO-ADD:0283425,-14.87,C(=C/c(cc1)ccc1OCc2ccccc2F)(/C(=O)NC(N3CC=C)=O)\C3=O,0.0
81253,CO-ADD:0257964,-14.87,N1(c2ccccc2C)C(=O)\C(=C\c(cc(OC)c(c3[N+](=O)[O-])O)c3)\C(NC1=S)=O,0.0
81254,CO-ADD:0277396,-14.88,c1([nH]c2c(ccc(C)c2)n1)\C(\C#N)=C\c(ccc3c(cc4)cc(c45)COC5=O)o3,0.0
81255,CO-ADD:0278899,-14.88,N1(c2ccc(cc2)C)C(=O)\C(=C\c(cc3OCC)cc(c3OC)Br)\C(NC1=S)=O,0.0
81256,CO-ADD:0278419,-14.88,C1(C#N)=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c3ccccc3C,0.0
81257,CO-ADD:0283818,-14.88,S(=O)(=O)(Nc(cccc1[N+](=O)[O-])c1)c2csc(C(=O)Nc3ccccc3)c2,0.0
81258,CO-ADD:0279074,-14.88,C(C(=O)OC(C)C)(=C(C)OC(=C1C#N)N)C1c2ccco2,0.0
81259,CO-ADD:0279051,-14.88,n1c(c2ccc(cc2)C)csc1\C(\C#N)=N\Nc3ccccc3,0.0
81260,CO-ADD:0277461,-14.9,C(=N/c(cccc1C(F)(F)F)c1)(/SC=C2c(cc3)ccc3C4CCCCC4)\N2CCc5ccccc5.Br,0.0
81261,CO-ADD:0283571,-14.9,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3OC)cc(c3OC)OC)\N2C4CCCCC4,0.0
81262,CO-ADD:0279100,-14.9,n(Cc(ccc(c1Cl)Cl)c1)(c2c(c3\C=C(/SC(N4)=N)\C4=O)cccc2)c3,0.0
81263,CO-ADD:0284382,-14.91,C(=C/c(ccc(c1OCC)OC)c1)(/C2=O)\C(c3ccccc3)=NO2,0.0
81264,CO-ADD:0284390,-14.91,n(c(cc1)c([nH]2)cc1C(=O)N\N=C\C(\C)=C\c3ccccc3)c2C,0.0
81265,CO-ADD:0284622,-14.92,c1(c(Cl)c2c(cccc2)s1)C(=O)n3cccn3,0.0
81266,CO-ADD:0284304,-14.92,N1(c(ccc(c2C(O)=O)Cl)c2)N=C(\C(=C\c(cc3OC)cc(c3O)I)\C1=O)C,0.0
81267,CO-ADD:0284336,-14.92,c1(C(N)=O)c(C)cc(nc1OC)C,0.0
81268,CO-ADD:0284440,-14.92,N1(c2ccc(cc2)F)C(=O)CC(N(Cc(cc3)ccc3OC)C(=O)\C=C\C(O)=O)C1=O,0.0
81269,CO-ADD:0283488,-14.93,c1(N=Nc2nonc2CC(O)=O)nonc1CC(O)=O,0.0
81270,CO-ADD:0278588,-14.93,N1(c(cccc2C(F)(F)F)c2)C(CCl)=Nc(c3C1=O)cccc3,0.0
81271,CO-ADD:0278765,-14.93,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)Cc4cccc(cccc5)c45)n1,0.0
81272,CO-ADD:0283704,-14.94,C(=C\c1ccccc1)(/C2=O)\C(=O)c3c2cccc3,0.0
81273,CO-ADD:0278199,-14.94,C(F)(F)(F)c1cccc(c1)NC(CSC(N(CC)CC)=S)=O,0.0
81274,CO-ADD:0278822,-14.94,C(C(OCCSCC)=O)(=C(C)NC(=C12)CC(CC1=O)(C)C)C2c3ccc(c4c3)OCO4,0.0
81275,CO-ADD:0259427,-14.94,n(c(NCCN(CC1)CCO1)nc(n2)Cl)c2NCc3ccccc3,0.0
81276,CO-ADD:0259435,-14.94,N1(C(=O)CCC1=O)c2cccc(c2)C(=O)OCC(=O)Nc(cc3)ccc3S(N)(=O)=O,0.0
81277,CO-ADD:0259999,-14.94,c1(C(OC)=O)oc(c2c1NC(=O)CCN(CC3)CCO3)ccc(Br)c2,0.0
81278,CO-ADD:0277492,-14.94,n1(C)c(SCC(=O)Nc(ccc(c2s3)nc3SCC(=O)NC4CC4)c2)nnc1c5ccccc5,0.0
81279,CO-ADD:0277639,-14.95,N1(CCc(ccc(c2OC)OC)c2)C(C)(O)C(OC1=O)(C)CC\C=C(/C)\C,0.0
81280,CO-ADD:0257857,-14.95,c1(ccc(cc1OC)\C=N\c(cc2)ccc2\N=C\c(cc3)cc(c3OC(C)=O)OC)OC(C)=O,0.0
81281,CO-ADD:0257330,-14.95,C(=C\c(ccc1c(ccc(c2C(O)=O)Cl)c2)o1)(/C(=O)NN3c4ccc(cc4)Br)\C3=O,0.0
81282,CO-ADD:0257866,-14.95,n12c(S\C(=C\c(cc3)ccc3OCc4ccc(cc4Cl)Cl)\C1=O)nc(cc(C)c(C)c5)c25,0.0
81283,CO-ADD:0258082,-14.95,n12c(S\C(=C\c3c4c([nH]c3C)cccc4)\C1=O)nc(cc(C)c(C)c5)c25,0.0
81284,CO-ADD:0255504,-14.95,N1(c2ccc(cc2)OC)C(=O)C(CC1=O)NCCc(ccc(c3OC)OC)c3,0.0
81285,CO-ADD:0253458,-14.97,N(C=C(Br)C(=N1)N)(C1=O)C2OC(C(O)C2O)CO,0.0
81286,CO-ADD:0252415,-14.98,S(c1ccccc1)(=O)(=O)N(c(cc2)ccc2[N+](=O)[O-])CC(=O)N\N=C(/C)\C(C)(C)C,0.0
81287,CO-ADD:0248281,-14.98,c1(c2ccccc2O)cc(c3ccc(cc3)Br)nc(N\N=C\c(cc4)ccc4OCCCC)n1,0.0
81288,CO-ADD:0252333,-14.98,C(SCCC)(=O)Nc(ccc(c1Cl)Cl)c1,0.0
81289,CO-ADD:0255194,-14.98,C(=C/c(cc1)cc(c1N(C)C)Br)(/C2=O)\Sc(c23)cccc3,0.0
81290,CO-ADD:0249144,-14.99,C(=O)(Nc(cc(Sc1ccccc1)cc2Sc3ccccc3)c2)c4c(cccc4F)F,0.0
81291,CO-ADD:0247529,-14.99,N1(\N=C\c(ccc(c23)OCO2)c3)C(=O)C4C(C(C5(CC5)C46)C=C6)C1=O,0.0
81292,CO-ADD:0252601,-14.99,N(\C(=C/c1ccco1)\C(O2)=O)=C2c(cc3)ccc3C4=N\C(\C(=O)O4)=C/c5ccco5,0.0
81293,CO-ADD:0254871,-14.99,n1(c2c(n3)cccc2)c3S\C(=C/c(c(Cl)ccc4[N+](=O)[O-])c4)\C1=O,0.0
81294,CO-ADD:0249200,-14.99,c1(SC(C)C(=O)N\N=C\c(cc(OCO2)c2c3)c3Br)nc(C)cc(C)n1,0.0
81295,CO-ADD:0249168,-15.0,N1(c2ccc(cc2)OCC)C(=O)CC(N(CCc3ccccc3)C(C)=O)C1=O,0.0
81296,CO-ADD:0249643,-15.0,N1\C(=N\N=C\c2cc(I)cc(I)c2OCc3ccccc3)\SCC1=O,0.0
81297,CO-ADD:0249430,-15.01,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cccc(I)c4,0.0
81298,CO-ADD:0247498,-15.01,C(=O)(CN1CCCCC1)N\N=C\c(cc2)ccc2OC(C3)CS3,0.0
81299,CO-ADD:0254997,-15.02,n1(CC=C)c(SCC(c2ccccc2)=O)nnc1c3ccc(cc3)OC,0.0
81300,CO-ADD:0247760,-15.02,N(C(C(C)SCC(=O)Nc1ccccc1)=O)c2c(C)cc(cc2C)C,0.0
81301,CO-ADD:0249416,-15.03,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(ccc(c3[N+](=O)[O-])N4CCC(CC4)C)c3,0.0
81302,CO-ADD:0278648,-15.03,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OC)cc(c5OC6=O)S6,0.0
81303,CO-ADD:0278672,-15.04,c1(C#N)c2c(sc1\N=C\c(ccc3c(cc4)c(C)c(c4[N+](=O)[O-])C)o3)CCCC2,0.0
81304,CO-ADD:0283537,-15.04,C1(NC(=O)CN(c2ccc(cc2)F)S(c3ccccc3)(=O)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
81305,CO-ADD:0283770,-15.04,c1(c(F)c(C)cc(F)c1F)C(=O)n(c2)ncn2,0.0
81306,CO-ADD:0283570,-15.05,N1(c2c(cccc2)C(OC1c(ccc(c34)OCO3)c4)=O)C(=O)c5cc(c6o5)cccc6,0.0
81307,CO-ADD:0278963,-15.05,n1c(c2ccc(cc2)F)[nH]c(c(c3c4c5cc(I)cc4)cc(cc3)I)c15,0.0
81308,CO-ADD:0279109,-15.05,c1(ccc(cc1O)O)C(=O)OCC(=O)c2ccc(cc2)Cl,0.0
81309,CO-ADD:0277463,-15.05,S(=O)(=O)(c(cc1)ccc1C2=CS\C(=N/c(cccc3C(F)(F)F)c3)\N2CCc(ccc(c4OC)OC)c4)N(CC5)CCO5.Br,0.0
81310,CO-ADD:0278390,-15.06,n(c(cc(n1)OC)NC(CCC(OCC#C)=O)=O)c1OC,0.0
81311,CO-ADD:0278887,-15.07,[N+](=O)([O-])c(cccc1C(=O)N2CCC(CC2)Cc3ccccc3)c1C,0.0
81312,CO-ADD:0277480,-15.07,S(=O)(=O)(c1ccc(cc1)NC(C)=O)N(CC2)CCS2,0.0
81313,CO-ADD:0279047,-15.07,C(C#N)(C1c2ccc(cc2)Cl)=C(N)OC(C)=C1C(C)=O,0.0
81314,CO-ADD:0283065,-15.07,C(C(OCC)=O)(=C1C)\C(=C\c(cc2)ccc2C(O)=O)\C(N1c3ccc(cc3)C)=O,0.0
81315,CO-ADD:0284065,-15.08,C1(C(C2)CC3C2)C3C1C(=O)NCc4ccco4,0.0
81316,CO-ADD:0278473,-15.08,c1(O2)c(c(n[nH]1)CCC)C(C(C#N)=C2N)c3ccc(cc3)Br,0.0
81317,CO-ADD:0278513,-15.09,c12c(nnc(SCc3ccccc3)n1)c4c(cccc4)n2Cc5ccccc5,0.0
81318,CO-ADD:0283034,-15.09,n12c(ccc(cccc3)c13)nnc2c4ccc(cc4)Cl,0.0
81319,CO-ADD:0278783,-15.1,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4OC)cc(c4OC(C)=O)OC)\C1=O,0.0
81320,CO-ADD:0278512,-15.11,c12c(nnc(SC(CC)C(=O)Nc(cc3)ccc3S(N)(=O)=O)n1)c4c(cccc4)n2Cc5ccccc5,0.0
81321,CO-ADD:0283147,-15.11,c(c1c([nH]2)cccc1)(C3)c2CCN3C(=O)C45CC(CC6C4)CC(C6)C5,0.0
81322,CO-ADD:0278583,-15.12,C(/C#N)(=C\c(cc1)ccc1NC(C)=O)\C(N)=S,0.0
81323,CO-ADD:0283483,-15.12,n1c(c2ccc(cc2)C)csc1N,0.0
81324,CO-ADD:0278946,-15.12,N1(CCCN(C)CCCN2C(=O)c(c3C2=O)ccc(C(O)=O)c3)C(=O)c(c4C1=O)ccc(C(O)=O)c4,0.0
81325,CO-ADD:0277605,-15.12,N1(c2ccccc2F)C(=O)C(CC1=O)S\C(\NC)=N\c(cc3)ccc3OC,0.0
81326,CO-ADD:0259748,-15.12,C(=O)(C(CC)OC(=O)C(CCSC)NC(c1ccccc1)=O)Nc2cccc(cccc3)c23,0.0
81327,CO-ADD:0259772,-15.13,C(=N\c(ccc1c2sc(n1)C)c2)(/S\C(\C3=O)=C\C=C(/C4(C)C)\N(C)c(c45)ccc(c6ccccc6)c5)\N3CC,0.0
81328,CO-ADD:0277320,-15.13,N1(c2ccc(cc2)OCCCC)C(=O)C(CC1=O)NCc(ccc(c34)OCO3)c4,0.0
81329,CO-ADD:0259781,-15.13,c1(SCC(=O)Nc(cc2)ccc2Sc(cc3)ccc3NC(CSc4[nH]c(c5n4)cccc5)=O)[nH]c(c6n1)cccc6,0.0
81330,CO-ADD:0284706,-15.13,C(C#N)(C(c(cc1)ccc1[N+](=O)[O-])C2=C(N3c4ccccc4C)CC(C)(C)CC2=O)=C3N,0.0
81331,CO-ADD:0257579,-15.14,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(NCCOc(ccc(c2C)C)c2)=O,0.0
81332,CO-ADD:0257363,-15.14,n1(\N=C\c(ccc2c3cccc(Cl)c3Cl)o2)nnnc1N([H])[H],0.0
81333,CO-ADD:0247373,-15.14,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c3cccc(Cl)c3Cl)\N2c4ccccc4,0.0
81334,CO-ADD:0247976,-15.14,n1(c2c(n3)cccc2)c3S\C(=C\c(cc4I)cc(c4OCc5ccccc5)I)\C1=O,0.0
81335,CO-ADD:0247871,-15.15,N(C(=O)\C(\S1)=C/c2cccc(OC)c2)=C1N3CCCCC3,0.0
81336,CO-ADD:0254429,-15.15,C1(Cl)(Cl)C(N1c2ccc(cc2)Br)c(cc3)ccc3[N+](=O)[O-],0.0
81337,CO-ADD:0255217,-15.15,N1(c(cc2)ccc2C(OC)=O)C(=O)C(CC1=O)S\C(\NCc(ccc(c34)OCO3)c4)=N\c5ccccc5,0.0
81338,CO-ADD:0254466,-15.16,c1(c2c(cccc2)cc3C#N)c3cccc1,0.0
81340,CO-ADD:0247908,-15.16,c1(ccccc1F)C(=O)O\N=C(/C)\c(cc2)cc(c2N3CCCCC3)F,0.0
81341,CO-ADD:0249125,-15.16,C(NC(c1ccccc1)=O)(NC(c2ccccc2)=O)c3ccc(cc3OC)OC,0.0
81342,CO-ADD:0249154,-15.17,C(Nc(ccc(c1Cl)Cl)c1)(C(OCC)=O)(NC(C)=O)C(F)(F)F,0.0
81343,CO-ADD:0254791,-15.18,s1c(C(C)(C)C)nnc1NC(c2ccccc2)=O,0.0
81344,CO-ADD:0254777,-15.18,c1(NC(=O)c2cccs2)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3,0.0
81345,CO-ADD:0255023,-15.18,N(C(=O)\C(\S1)=C/c2ccc(cc2OC)OC)=C1N3CCC(CC3)C,0.0
81346,CO-ADD:0249499,-15.19,P(=O)(N\N=C\c(cc1)ccn1)(Oc2c(C)cccc2C)Oc3c(C)cccc3C,0.0
81347,CO-ADD:0249312,-15.2,C(=S)(c1ccc(cc1)F)N2CCCCC2,0.0
81348,CO-ADD:0254810,-15.2,N1(c2ccccc2[N+](=O)[O-])C(=O)c3c(cccc3)C1=O,0.0
81349,CO-ADD:0254602,-15.2,N1(c2cccc(c2)c3csc(Nc(ccc(c45)OCO4)c5)n3)C(=O)c6c(cccc6)C1=O.Br,0.0
81350,CO-ADD:0255104,-15.2,C12=C(c3c(cccc3)OC1=O)S\C(=C(\C#N)/C#N)\S2,0.0
81351,CO-ADD:0252193,-15.2,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(cc5OCc(cc6)ccc6Cl)N(CC)CC,0.0
81352,CO-ADD:0248036,-15.21,C1(=Cc(cc(Br)cc2Br)c2OC1=O)c3csc(Nc4ccccc4)n3,0.0
81353,CO-ADD:0284156,-15.21,C(/C#N)(=C/c(ccc1c2ccc(cc2)Br)o1)\C(=O)Nc3ccccc3O,0.0
81354,CO-ADD:0284725,-15.22,c1(c(F)ccc(c1)[N+](=O)[O-])C(=O)N(CC2)CCN2c(cc3)c(F)cc3[N+](=O)[O-],0.0
81355,CO-ADD:0284902,-15.22,N1(CC(C)C)C(=O)C(F)=CN(CC=C)C1=O,0.0
81356,CO-ADD:0283896,-15.22,N1(C)C(=O)\C(\SC1=S)=C\c(ccc2c3ccc(c(Cl)c3)C)o2,0.0
81357,CO-ADD:0284712,-15.22,c1(C#N)c(C#N)c(n(c2ccccc2)c1N)c3ccccc3,0.0
81358,CO-ADD:0283897,-15.22,N1(CC(O)=O)C(=O)\C(\SC1=S)=C/c2cc(Br)ccc2OCc3ccccc3F,0.0
81359,CO-ADD:0283764,-15.22,n1(nc(s2)SCC(=O)Nc(cc3)ccc3C)c2nnc1SCC(=O)Nc(cc4)ccc4C,0.0
81360,CO-ADD:0283726,-15.23,N(c1ccccc1)c2cccc(N)c2,0.0
81361,CO-ADD:0283734,-15.24,c12c(n(cn1)Cc3ccccc3)C(NC(=O)N2C)=O,0.0
81362,CO-ADD:0283486,-15.24,[N+](=O)([O-])\C(\C)=C\c1ccccc1,0.0
81363,CO-ADD:0278669,-15.24,S(=O)(=O)(c1ccc(cc1)Cl)\N=C(/C=C2)\C=C(C2=O)C,0.0
81364,CO-ADD:0283423,-15.24,N1C(=O)\C(\SC1=O)=C\c2cccc(c2)OCc3ccccc3F,0.0
81365,CO-ADD:0277558,-15.24,N1(CC(CC1=O)C(=O)Nc2ccccc2C(OC)=O)c3cccc(Cl)c3C,0.0
81366,CO-ADD:0260050,-15.24,N1(c2cccc(Br)c2)C(=O)C(C(C1=O)C(C)(c3c4cccc3)c(c56)cccc5)C46C=O,0.0
81367,CO-ADD:0259363,-15.24,c1(OC(N)=C(C2c3ccc(c4c3)OCO4)C#N)c2c(n[nH]1)C,0.0
81368,CO-ADD:0277344,-15.25,N1(\N=C\c(cccn2)c2)C(=S)SC(C)(C)C1N(O)C(=O)Nc(ccc(c3Cl)Cl)c3,0.0
81369,CO-ADD:0283386,-15.25,c1(sc2c(ccc(C)c2)n1)NC(=O)C(Cc3ccccc3)NC(OCc4ccccc4)=O,0.0
81370,CO-ADD:0284484,-15.25,c1(ccc(cc1[N+](=O)[O-])Cl)C(=O)Nc(cccn2)c2,0.0
81371,CO-ADD:0259151,-15.25,N1(c2cccc(OC)c2)C(=O)C(CC1=O)SC(=N)N\N=C(/C)\c3ccc(cc3)F,0.0
81372,CO-ADD:0258775,-15.26,c12c(cccc1[N+](=O)[O-])C3C(C(c(cccc4[N+](=O)[O-])c4)N2)CC=C3,0.0
81373,CO-ADD:0259201,-15.26,C(C#N)(C1c(cccn2)c2)=C(N)OC(CCCC3=O)=C13,0.0
81374,CO-ADD:0258923,-15.26,C(=N/c(cc1)ccc1F)(/SC=C2c3ccc(cc3)Br)\N2CCc(ccc(c4OC)OC)c4.Br,0.0
81375,CO-ADD:0277896,-15.26,n1c(N)c(C#N)cc(C#N)c1SCC(=O)Nc2ccccc2OCC,0.0
81376,CO-ADD:0277712,-15.27,C(/CC(=O)c1cccs1)(=N\NC(=O)c2ccccc2OC)\C(F)(F)F,0.0
81377,CO-ADD:0283618,-15.27,C12(SCC(=O)N1c3ccc(c(Cl)c3)C)c4c(NC2=O)cccc4,0.0
81378,CO-ADD:0247403,-15.27,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c(cc3)ccn3,0.0
81379,CO-ADD:0252948,-15.27,c1(SCC(=O)N\N=C\c(cc2)ccc2Br)[nH]c(c3n1)cccc3,0.0
81380,CO-ADD:0255175,-15.28,c1(non2)c2nc(Nc(ccc(c3N4)NC4=O)c3)c(N\N=C\c5ccccc5OCc6ccc(cc6Cl)Cl)n1,0.0
81381,CO-ADD:0254497,-15.28,C(=S)(N1CCCCC1)c2ccccc2OC(=O)c(c3)cc(cc3[N+](=O)[O-])[N+](=O)[O-],0.0
81382,CO-ADD:0252674,-15.28,C(=O)(Oc(cc1)ccc1Cl)C(CCCC2C(=O)Oc(cc3)ccc3Cl)C2,0.0
81383,CO-ADD:0252631,-15.28,C1(C(C)=NN(c2ccccc2)C1=O)C(c3ccc(cc3Cl)Cl)C4C(C)=NN(c5ccccc5)C4=O,0.0
81384,CO-ADD:0248138,-15.29,C1(SCC(=O)Nc2cccc(NC(CSC3=NCCS3)=O)n2)=NCCS1,0.0
81385,CO-ADD:0247413,-15.3,N(CCN1C(=O)CN2CCCCC2)(C1C(C)C)S(=O)(=O)c3ccc(cc3)C,0.0
81387,CO-ADD:0247503,-15.3,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c(cc4)ccc4OCC(=O)N(CC5)CCO5)C2,0.0
81388,CO-ADD:0247469,-15.31,C(C(=O)N\N=C\c(ccc(c1[N+](=O)[O-])O)c1)(C2)=NNC2(c3ccccc3)c4ccccc4,0.0
81389,CO-ADD:0248895,-15.31,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c4ccccc4O)C2,0.0
81390,CO-ADD:0254477,-15.31,c(c1)(c(N(C)C)cc(OC)c1C(=O)NC(C)CNc(cc2)c(Cl)cc2[N+](=O)[O-])[N+](=O)[O-],0.0
81391,CO-ADD:0254547,-15.32,C1(c2ccc(cc2)SC)N(c3ccccc3)CCN1c4ccccc4,0.0
81392,CO-ADD:0254592,-15.32,N(\C(=C/c(ccc(c1OC)OCc2ccccc2Cl)c1)\C(O3)=O)=C3c4ccc(cc4)C,0.0
81393,CO-ADD:0248261,-15.33,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(cc3)ccc3C)\N2c4ccccc4,0.0
81394,CO-ADD:0254721,-15.33,S(C)(=O)(=O)N(C)CP(O)(=O)CN(CC1)CCO1,0.0
81395,CO-ADD:0255029,-15.33,n(c1C)(nnc1C(=O)N\N=C(/C)\c(cc2)ccc2c3ccccc3)c4nonc4N,0.0
81396,CO-ADD:0252970,-15.34,C(=C\c(cc1)ccc1OC)(/C2=O)\C(=O)c3c2cccc3,0.0
81397,CO-ADD:0249641,-15.34,C(=C\c(ccc1c(cc2)c(C)c(c2[N+](=O)[O-])C)o1)(/C(=O)c(c34)cccc3)\C4=O,0.0
81399,CO-ADD:0278273,-15.35,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)NC(c6ccccc6)=O)n1,0.0
81400,CO-ADD:0284861,-15.35,N1(C(=O)c2cccc(Br)c2)C(O)(c3ccc(cc3)F)CC(C(F)(F)F)=N1,0.0
81401,CO-ADD:0283901,-15.35,N1(c2ccc(cc2)Cl)CC(CC1=O)C(NCCCC)=O,0.0
81402,CO-ADD:0277842,-15.35,C(C#N)(C(c1ccc(cc1)O)CC(N2)=O)=C2SCC(OCc3ccccc3)=O,0.0
81403,CO-ADD:0284895,-15.35,c(cc(cc1C(O)=O)NC(COc(ccc(c2C)C)c2)=O)(c1)C(O)=O,0.0
81404,CO-ADD:0283903,-15.35,N1(CC)C(=O)\C(\SC1=S)=C/c(cc2)cc(c2N(C)C)Br,0.0
81405,CO-ADD:0283616,-15.35,N1(CN2CCC(CC2)C)c(cccc3)c3\C(=N\c4ccc(cc4C)C)\C1=O,0.0
81406,CO-ADD:0283656,-15.36,S(=O)(=O)(c(cccc1C(=O)Nc(cc2)ccc2F)c1)N3CCc(cccc4)c34,0.0
81407,CO-ADD:0258810,-15.36,N(c1ccccc1C(OCCCCC)=O)(C(=O)C(C2C(Br)(c(c34)cccc3)c(c56)cccc5)C46Br)C2=O,0.0
81408,CO-ADD:0258850,-15.36,N1(c(cc2)ccc2N(CC3)CCO3)C(c4ccc(c5c4)OCO5)N(N=C1C(C)=O)c6ccccc6,0.0
81409,CO-ADD:0277905,-15.36,c12c(nnc(SCC(=O)Nc(cc3)ccc3S(N)(=O)=O)n1)c4c(cccc4)n2Cc5ccccc5,0.0
81410,CO-ADD:0277945,-15.37,c1(\N=C/c(cc2)ccc2OCc3cccc(cccc4)c34)sc(c5c1C(=O)NCc6ccccc6)CCCC5,0.0
81411,CO-ADD:0259430,-15.39,c1(N(CC2)CCO2)nc(NCc3ccco3)nc(Nc(cc4)ccc4C(C)C)n1,0.0
81412,CO-ADD:0259384,-15.39,C(C#N)(C(c(cc1)ccn1)c(ccc(c2)O)c2O3)=C3N,0.0
81414,CO-ADD:0259969,-15.4,C(F)(F)(F)c(ccc(c1NC(=O)c2ccc(c(OC)c2)OC)Cl)c1,0.0
81415,CO-ADD:0277469,-15.4,n1c(c2ccc(cc2)Br)[nH]c(c3ccccc3)c1c4ccc(cc4)Sc5ccccc5,0.0
81416,CO-ADD:0279060,-15.4,c1(OC(N)=C(C2c3cc(OC)ccc3OC)C#N)c2c(nn1c4ccccc4)C,0.0
81417,CO-ADD:0277398,-15.4,N1(c2cc(C)ccc2C)C(=O)\C(\SC1=N)=C\c3c4c([nH]c3C)cccc4,0.0
81418,CO-ADD:0259905,-15.41,[N+](=O)([O-])c(ccc(c1\C=N\NC(CCCO)=O)N(C)C)c1,0.0
81419,CO-ADD:0259658,-15.41,c1(P(c2ccccc2)(c3ccccc3)=O)c(NC)oc(c4ccc(cc4)Cl)n1,0.0
81420,CO-ADD:0258570,-15.42,n1(c2c(n3)cccc2)c3S\C(=C/c(cc(Br)cc4Br)c4OCC=C)\C1=O,0.0
81421,CO-ADD:0253083,-15.42,C(CSc1cccc(cccn2)c12)(=O)N\N=C\c(ccc(c3OCC)O)c3,0.0
81422,CO-ADD:0253135,-15.42,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c(c(Cl)ccc2[N+](=O)[O-])c2)F,0.0
81423,CO-ADD:0253132,-15.42,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c(ccc(c2OC)OCc3ccccc3)c2)F,0.0
81424,CO-ADD:0248265,-15.43,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5cc(Br)ccc5OCc6ccccc6,0.0
81425,CO-ADD:0254917,-15.44,c12c(nc(C)nc1Oc3ccccc3)c4c(cccc4)o2,0.0
81426,CO-ADD:0248171,-15.44,c1(SCC(=O)Nc2c(CC)cccc2CC)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n1,0.0
81427,CO-ADD:0247353,-15.45,n1c(N(CC2)CCO2)nc(nc1N(CC3)CCO3)Nc(cc4)ccc4\C(\C)=N/NC(=O)c5nonc5N,0.0
81428,CO-ADD:0252519,-15.46,S(C)(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)N\N=C(/C)\c2ccc(cc2)Br,0.0
81429,CO-ADD:0249626,-15.46,C1(F)(C(F)(F)C(=O)Nc(cc2)ccc2C(OCC)=O)OC(C(F)(F)C1(F)F)(F)F,0.0
81430,CO-ADD:0248904,-15.46,c1(cc(Cl)c(cc1C(O)=O)Cl)C(=O)Nc(cc2)ccc2Oc3ccccc3,0.0
81431,CO-ADD:0254422,-15.47,c1(ccc(cc1Cl)Cl)C(=O)Nc(c(OC)c2)cc(c2NC(C)=O)OC,0.0
81432,CO-ADD:0255151,-15.47,C12c3c(cccc3)C(C(C)C1C(=O)Nc4ccccc4OC)c(cccc5)c25,0.0
81433,CO-ADD:0249370,-15.47,S(=O)(=O)(c1ccc(cc1)Cl)N2CC(C)CC(C)C2,0.0
81434,CO-ADD:0249229,-15.48,c12c(nnc(N\N=C\c(ccc3c4ccccc4Cl)o3)n1)c(c5[nH]2)cccc5C,0.0
81435,CO-ADD:0249584,-15.48,N1(c2cccc(O)c2)C(=O)c3c(c4C1=O)c(c5cc3)c(cc4)CC5,0.0
81436,CO-ADD:0247737,-15.48,N1(O)c(cc(N)cc2C(O)=O)c2c3c(cc(cc3)N)C1=O,0.0
81437,CO-ADD:0249443,-15.49,c12c(nnc(N\N=C\C(\C)=C\c3ccccc3)n1)c(c4[nH]2)cccc4C,0.0
81438,CO-ADD:0248181,-15.49,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n1,0.0
81439,CO-ADD:0247499,-15.49,S(c1ccccc1)(=O)(=O)Oc2ccccc2\C=C(\C3=O)/N=C(O3)c(cc4)ccc4C(C)(C)C,0.0
81442,CO-ADD:0137568,-15.51,CC(C)CCC1=C(C(NCCCN(C)C)=O)N=C(NC(C2=CC(NC(C3=CC(NC(C)=O)=CN3C)=O)=CN2C)=O)S1,0.0
81443,CO-ADD:0277884,-15.51,c1(c2ccc(OCC(NCCO)=O)c1)OC(C=C2C)=O,0.0
81444,CO-ADD:0277997,-15.51,N1(c2ccc(cc2)Br)C(=O)CC(N3CCCCCCC3)C1=O,0.0
81445,CO-ADD:0278134,-15.53,c1(NC(CSc2ncccn2)=O)sc(c3c1C#N)CC(CC3)C,0.0
81446,CO-ADD:0278054,-15.54,N1(C(=O)CCC1=O)c2cccc(c2)C(=O)OCC(=O)Nc3ccccc3Cl,0.0
81447,CO-ADD:0277894,-15.54,C(F)(F)(F)C(CCCOC(CCC(=O)Nc(cc1)ccc1C)=O)(F)F,0.0
81448,CO-ADD:0278026,-15.54,N1(c2cccc(F)c2)C(=O)\C(\SC1=S)=C/c3c4c([nH]c3C)cccc4,0.0
81449,CO-ADD:0258688,-15.54,C12(\C=C\c(cc3)ccc3Br)N(CCC(=O)N1)c4c(cccc4)C2(C)C,0.0
81450,CO-ADD:0258704,-15.56,N1(CCn2c(cccc3)c3c(nc(cccc4)c4n5)c25)C(=O)c(c6C1=O)cccc6,0.0
81451,CO-ADD:0260137,-15.56,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(=O)Nc(c(ccc3C(F)(F)F)OCc4ccccc4)c3)[N+](=O)[O-],0.0
81452,CO-ADD:0259617,-15.56,C(=C/c(ccc(c1OC)OCc2ccccc2F)c1)(/C(=O)NC(N3)=S)\C3=O,0.0
81453,CO-ADD:0277547,-15.57,C(=O)(Nc(cc1)ccc1OCC)C(NCCc(cc2)ccc2OC)=O,0.0
81454,CO-ADD:0259311,-15.57,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)SC)c4sc(c5c4C#N)CCCC5,0.0
81455,CO-ADD:0258093,-15.58,N12C(S\C(=C\c3cccc(c3)OCc4cccc(cccc5)c45)\C1=O)=NC(C)=C(C(OCC)=O)C2c6cc(OC)ccc6OC,0.0
81456,CO-ADD:0257351,-15.58,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCC(=O)c4cccc(cccc5)c45)N3c6ccccc6,0.0
81457,CO-ADD:0257879,-15.58,C1(=Cc(cc(Br)cc2Br)c2OC1=O)c3csc(N\N=C\c(cc4)ccc4N(C)C)n3,0.0
81458,CO-ADD:0259003,-15.59,N1(Cc2ccccc2)C(=O)C(NC1=S)C(C)C,0.0
81459,CO-ADD:0259857,-15.59,N1(c(cc2)ccc2C(OC)=O)C(=O)CC(N(CC3)CCN3c4ncccn4)C1=O,0.0
81460,CO-ADD:0247957,-15.59,N(C(=O)\C(\S1)=C/c2cccc(F)c2)=C1N(CC3)CCO3,0.0
81461,CO-ADD:0248117,-15.59,C(C(N)=O)(C1c2ccccc2F)=C([S-])NC(N)=C1C#N,0.0
81462,CO-ADD:0248111,-15.6,c1(NC(=O)C2=Cc3c(OC2=O)cccc3)sc(c(C)c1C(OCC)=O)C(OCC)=O,0.0
81463,CO-ADD:0247617,-15.6,N1(c2ccc(cc2)Cl)C(c3ccc(cc3)OCc4ccccc4Cl)Nc(c5C1=O)cccc5,0.0
81464,CO-ADD:0247384,-15.6,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C\c(cc3)ccc3F,0.0
81465,CO-ADD:0252440,-15.6,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C(/C)\c4cccc(Br)c4,0.0
81466,CO-ADD:0248194,-15.6,C(F)(F)(F)c(ccc(c1\N=C\c2ccccc2O)Oc3cccc(F)c3)c1,0.0
81467,CO-ADD:0247937,-15.61,c1(SCC(NCCc(ccc(c2OC)OC)c2)=O)sc3c(ccc(c3)\N=C\c(cc4)ccc4Br)n1,0.0
81468,CO-ADD:0247465,-15.61,C(=O)(c(cc1)ccc1C2CCCCC2)Nc3cccc(C)c3C,0.0
81469,CO-ADD:0249356,-15.61,S(=O)(=O)(c1ccc(cc1)OCCCC)NCc2ccco2,0.0
81470,CO-ADD:0247698,-15.61,C([P+](c1ccccc1)(c2ccccc2)c3ccccc3)(C(=O)N4)=C(SC)N=C4c5ccc(cc5Cl)Cl.[I-],0.0
81471,CO-ADD:0249141,-15.62,c1(\C=N\NC(COc2ccccc2OC)=O)cc(Br)ccc1O,0.0
81472,CO-ADD:0249142,-15.62,c1(Sc(cc(cc2[N+](=O)[O-])NC(=O)c3cccc(F)c3F)c2)sc(c4n1)cccc4,0.0
81473,CO-ADD:0249679,-15.63,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(OC)=O,0.0
81474,CO-ADD:0254792,-15.63,C(/C=C(O1)c2ccc(c(OC)c2)OC)(\C1=O)=C(\c3c(C4=O)cccc3)/O4,0.0
81475,CO-ADD:0249615,-15.63,C(=O)(N\N=C\c1c(cccc1Cl)Cl)C(=O)NC2CC2,0.0
81476,CO-ADD:0248231,-15.65,C(C#N)(=C(C)C=C(N1\N=C\c2ccccc2Cl)C)C1=O,0.0
81477,CO-ADD:0254621,-15.66,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc4)ccc4OCc5cccc(cccc6)c56)\C1=O)=NC(C)=C2C(OCC)=O,0.0
81478,CO-ADD:0255058,-15.66,N1(C2c3ccccc3)C(S\C(=C\c(cc4OC)cc(c4OCC=C)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
81479,CO-ADD:0247828,-15.66,s1c(CCc2nnc(N)s2)nnc1N,0.0
81480,CO-ADD:0278007,-15.67,c1(SCC(NCCOc2ccccc2)=O)sc3c(ccc(c3)\N=C\c4ccccc4O)n1,0.0
81481,CO-ADD:0277976,-15.68,N1=C(SCC(=O)Nc2ccc(cn2)Cl)NC(C(c3ccccc3)C1=O)=O,0.0
81482,CO-ADD:0277329,-15.68,c1(c2ccc(cc2Cl)Cl)nnc(SCc3ccccc3Cl)n1c4ccccc4,0.0
81483,CO-ADD:0277825,-15.68,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc3)ccc3OCc(cc4)ccc4F)\N2C5CCCC5,0.0
81484,CO-ADD:0277545,-15.69,C(=O)(Nc(ccc(c1Cl)C)c1)C(NC)=O,0.0
81485,CO-ADD:0277650,-15.69,C1(C(OCC)=O)=C(COC(=O)C(CCSC)NC(c2ccccc2)=O)NC(=O)N1,0.0
81486,CO-ADD:0283266,-15.69,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc(c3n1)cccc3,0.0
81487,CO-ADD:0284350,-15.69,[N+](=O)([O-])c(cc1)ccc1C(NCCNC(=O)c(cc2)ccc2[N+](=O)[O-])=O,0.0
81488,CO-ADD:0278299,-15.69,N1(CC=C)\C(\SCC1=O)=N/N=C(\C)/c(cc2)ccc2c3ccccc3,0.0
81489,CO-ADD:0279061,-15.7,c1(O2)c(c([nH]n1)C)C(C(C#N)=C2N)c(cc3)ccn3,0.0
81490,CO-ADD:0283365,-15.7,c1(coc(ccc(O)c2)c12)C(=O)c3cc(O)ccc3O,0.0
81491,CO-ADD:0254517,-15.71,c1(cc(ccc1N(CC2)CCN2CCO)C(F)(F)F)[N+](=O)[O-].Cl,0.0
81492,CO-ADD:0252306,-15.71,c1(cc(Cl)cc(Cl)c1OC)\C(\NCc2ccccc2)=N\OC(C)=O,0.0
81493,CO-ADD:0248134,-15.72,n1c(SCC(=O)Nc2c(Br)cc(cn2)Br)[nH]nc1c3ccccc3,0.0
81494,CO-ADD:0248147,-15.72,c12c(nnc(SCC(=O)Nc(cccc3C(F)(F)F)c3)n1)c4c(cccc4)n2CC=C,0.0
81495,CO-ADD:0252762,-15.73,C(C(OC)=O)(C1c(cccn2)c2)=C(C)NC(CC(C)(C)CC3=O)=C13,0.0
81496,CO-ADD:0254890,-15.73,c1(C(=O)N\N=C\c(cc2Br)cc(c2O)Br)nonc1N,0.0
81497,CO-ADD:0254891,-15.74,c1(C(=O)N\N=C\c(ccc2c(cccc3[N+](=O)[O-])c3)o2)nonc1N,0.0
81498,CO-ADD:0252929,-15.74,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C\c(c(cccc2)c2n3Cc4ccccc4)c3)F,0.0
81499,CO-ADD:0252318,-15.74,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)N=C(C(CC)Br)O1,0.0
81500,CO-ADD:0254514,-15.74,c1(cc(F)c(cc1Cl)F)C(=O)N(CC2)CCN2c(cc3)c(Cl)cc3[N+](=O)[O-],0.0
81501,CO-ADD:0249778,-15.74,N1(c2ccccc2[N+](=O)[O-])C(=O)C(C(C1=O)C34\C=N\c5ccccc5CC)C(c(c36)cccc6)c(c47)cccc7,0.0
81502,CO-ADD:0248973,-15.75,c1(ccccc1OCC(=O)N\N=C/c2ccccc2Br)C(=O)N\N=C\c3ccccc3Br,0.0
81503,CO-ADD:0249364,-15.76,S(=O)(=O)(c1ccc(cc1)C)N\N=C\c2ccc(cc2C)C,0.0
81504,CO-ADD:0254619,-15.77,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4OC)cc(c4OCC=C)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
81505,CO-ADD:0252545,-15.77,N1(C2c3ccc(cc3)OC)C(S\C(=C\c(cc(OC)c(c4)OC)c4Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
81506,CO-ADD:0253016,-15.77,[N+](=O)([O-])c1cc(ccc1Sc2cccc3c2cccn3)\C=N\c4ccc(cc4OC)OC,0.0
81507,CO-ADD:0277747,-15.78,n1(nnc(C(OCC)=O)c1CN(CC2)CCN2c3ccccc3)c4nonc4N,0.0
81508,CO-ADD:0259993,-15.78,c1(nnc(CC(OCC)=O)s1)NC(=O)c2ccccc2F,0.0
81509,CO-ADD:0260097,-15.78,C1(C(OCCCCC)=O)=C(C)NC(NC1c2cccc(OCC)c2)=O,0.0
81510,CO-ADD:0259754,-15.79,N(c1c2cccc1)(c3c(S2)cccc3)C(=O)C(CC)SC4=NCCS4,0.0
81511,CO-ADD:0259802,-15.79,C1(C(OCCOC(C)C)=O)=C(C)NC(NC1c2ccc(c(OC)c2)O)=O,0.0
81512,CO-ADD:0259818,-15.79,C1(C(OCCCCC)=O)=C(C)NC(NC1c2cccc(c2)OCc3ccccc3)=O,0.0
81513,CO-ADD:0258746,-15.8,N1=C(C=C(\C=C\c(ccc(c2OCC)O)c2)NC1=O)C(F)(F)F,0.0
81514,CO-ADD:0257827,-15.81,N1C(=O)\C(\SC1=N)=C\c(cc(Cl)cc2Cl)c2OC,0.0
81515,CO-ADD:0257494,-15.81,n1(c(C)cc(C)n1)C(=O)c(cc2)ccc2C(C)(C)C,0.0
81516,CO-ADD:0277433,-15.82,C(=N\c1ccccc1)(/S\C(\C2=O)=C\c(cc(n3c4ccc(cc4)Cl)C)c3C)\N2C5CCCCC5,0.0
81517,CO-ADD:0259124,-15.82,C(C#N)(C1c(cccn2)c2)=C(N)OC(c3ccccc3)=C1Sc(cc4)ccc4[N+](=O)[O-],0.0
81518,CO-ADD:0253137,-15.82,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N\N=C/c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])c2O)F,0.0
81519,CO-ADD:0254900,-15.82,C(F)(F)(F)c1cccc(c1)NC(CC(C)(C)CC2=O)=C2,0.0
81520,CO-ADD:0252882,-15.83,N1(c2ccc(cc2C)O)C(=O)c(c3C1=O)ccc(c3)[N+](=O)[O-],0.0
81521,CO-ADD:0247852,-15.83,[nH]1c(cccc2)c2c(CCNC(C3CCCCC3)=O)c1,0.0
81522,CO-ADD:0254928,-15.84,n(nnc1C(=O)N\N=C(/C)\c2ccccc2O)(c1COC)c3nonc3N,0.0
81523,CO-ADD:0247565,-15.84,c1(ccc(\C=N/NC(COc2ccccc2)=O)o1)[N+](=O)[O-],0.0
81524,CO-ADD:0247610,-15.84,C(=O)(NC1CC1)C(NCCc(cc2)ccc2OC)=O,0.0
81525,CO-ADD:0254864,-15.84,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OC)c5)OCC#N,0.0
81526,CO-ADD:0249351,-15.85,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCc(cccc4)c34,0.0
81527,CO-ADD:0247508,-15.86,C(c1ccccc1)(=O)Nc(cc2)ccc2\C(\C)=N\NC(=O)c3ccc(cc3)CN(CCc(c45)cccc4)C5,0.0
81528,CO-ADD:0254426,-15.86,S(=O)(=O)(c1ccc(c2c1)cccc2)Nc3ccccc3OC,0.0
81529,CO-ADD:0247476,-15.87,c1(\C=N\NC(=O)C2COc(c3O2)cccc3)c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],0.0
81530,CO-ADD:0247453,-15.88,C(O)(C(O)=O)C(O)C(O)=O.C1(\C=C\c2ccc(Cl)s2)=NCCCN1C,0.0
81531,CO-ADD:0248894,-15.9,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c(cc4)ccc4OCC(OC)=O)C2,0.0
81533,CO-ADD:0137552,-15.91,CC(C)CCC1=C(C(NCCCN(C)C)=O)N=C(NC(C2=CC(NC(C3=CC(NC(C4=CC=CC=C4)=N)=CN3C)=O)=CN2C)=O)S1.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
81534,CO-ADD:0137551,-15.94,CC(C)CCC1=C(C(NCCCN(C)C)=O)N=C(NC(C2=CC(NC(C3=CC(NC(C4=CC(OC)=CC=C4)=N)=CN3C)=O)=CN2C)=O)S1.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O,0.0
81535,CO-ADD:0258500,-15.95,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(OCC)c5)OC,0.0
81536,CO-ADD:0258508,-15.95,c1(c2ccco2)nc(n3c1\N=C\c(cc4)ccc4Cl)cccc3,0.0
81537,CO-ADD:0258294,-15.95,n1c(c2cccc(OC)c2)[nH]c(c(cc3)ccc3c4ccccc4)c1c(cc5)ccc5c6ccccc6,0.0
81538,CO-ADD:0259097,-15.95,S(C)(=O)(=O)N(c1ccc(cc1)OC)C(C)C(=O)N\N=C(/C)\c2ccccc2O,0.0
81539,CO-ADD:0260002,-15.95,c1(cc(Cl)c(cc1N(CC2)CCN2CCO)N)[N+](=O)[O-],0.0
81540,CO-ADD:0260106,-15.96,N1(c2ccccc2)C(=O)C(CC1=O)SCC(N)C(OCC)=O.Cl,0.0
81541,CO-ADD:0260203,-15.97,N1(C2c3cccs3)C(S\C(=C\c(cc4OC)cc(c4O)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
81542,CO-ADD:0260204,-15.97,N1(C2c3cccs3)C(S\C(=C\c(cc4OC)cc(c4O)Br)\C1=O)=NC(C)=C2C(OCC)=O,0.0
81543,CO-ADD:0259509,-15.97,C(=O)(c1ccco1)N(CC2)CCN2CCNC(=O)C(=O)Nc3ccccc3,0.0
81544,CO-ADD:0259414,-15.97,n1(nnc(C(OC)=O)c1CN(CC2)CCN2C)c3nonc3N,0.0
81545,CO-ADD:0137171,-15.98,[H][C@](O)(CCCCCCO)[C@](O)(CCCCCCCC(O)=O)[H],0.0
81546,CO-ADD:0136501,-15.98,c1nnc(N2C(CSC2c(scc3)c3)=O)s1,0.0
81547,CO-ADD:0136533,-15.98,Clc1cc(Cl)c(C(Nc2cccc(C#C)c2)=O)cc1,0.0
81548,CO-ADD:0136438,-15.99,N(=Cc1cc(c2cccc(N)c2)ccn1)/NC(=S)N,0.0
81549,CO-ADD:0136963,-16.0,c1cc(Cl)ccc1n(c2c(C(N(c3cc(Cl)ccc3)C(=O)N2[H])=O)c4)n4,0.0
81550,CO-ADD:0136770,-16.0,n1c(C)c(C(=O)OCC)c(c2cnccc2)c(C(OCC)=O)c1C,0.0
81551,CO-ADD:0136890,-16.01,c1(NC(N2CCN(C)CC2)=O)cc(NC(N3CCN(C)CC3)=O)ccc1C,0.0
81552,CO-ADD:0137083,-16.01,Brc(ccc1C(=C2)NC(=N/c(nc(c3)c(ccc(c4)Br)c4)s3)S2)cc1,0.0
81553,CO-ADD:0135571,-16.01,n1cccc(O)c1CO,0.0
81554,CO-ADD:0135651,-16.02,N1(C(CCCC2)C2)C(CO)C1,0.0
81555,CO-ADD:0135907,-16.02,c1c(OCC(O)=O)cc(C)c(NC(C)=O)c1C,0.0
81556,CO-ADD:0135828,-16.02,n1c(c(ccc1)cc2[N+](=O)[O-])c(c2ccc3)n3,0.0
81557,CO-ADD:0135836,-16.02,O=C(N(C)C(=C1C2=O)N(CC)C(=O)N1C)N2C,0.0
81558,CO-ADD:0135908,-16.03,s1c(CC(C(OCC)=O)=O)nc(ccc2)c1c2,0.0
81559,CO-ADD:0135940,-16.03,N1=C(N)N([H])c(c(C1=S)n2)n(CCCCC)c2,0.0
81560,CO-ADD:0136253,-16.03,N1(C)CCN(C(Nc(ccc([N+](=O)[O-])c2)c2)=O)CC1,0.0
81561,CO-ADD:0136206,-16.03,s1c2c(C(N=C(C)N2[H])=O)c(CCCC3)c13,0.0
81562,CO-ADD:0136559,-16.04,[Cl-].n1(c(cccc2)c2)[n+](c3ccccc3)nc(c4ccccc4)n1,0.0
81563,CO-ADD:0137012,-16.05,n1c(CCC)nc(NC(c2ccccc2)=O)nc1NC(c3ccccc3)=O,0.0
81564,CO-ADD:0137029,-16.05,Clc(cc1c2c(Nc(cc(C(C)C)c3O)c(C)c3)c4c(ccc(OC)c4)n1)cc2,0.0
81565,CO-ADD:0136171,-16.05,C12OC(C(C(=O)O3)C1C(O)=O)C3C2Br,0.0
81566,CO-ADD:0136464,-16.06,c1(C)csc(N=Nc2ccc(N(C)C)cc2)[n+]1[O-],0.0
81567,CO-ADD:0136648,-16.06,O(CC(CN1CCN(CC1)c(cccc2)c2)O)c(cccc3)c3,0.0
81568,CO-ADD:0136600,-16.06,n1c(ccc(OC)c2)c2c(C(O)=O)cc1c(ccc(c3)Cl)c3,0.0
81569,CO-ADD:0136441,-16.07,o1c(C)cc(NC(Nc2c3c(cccc3)ccc2)=O)n1,0.0
81570,CO-ADD:0136531,-16.07,c1ccc(SC(N=O)=C(c2cccc([N+](=O)[O-])c2)N3[H])c3c1,0.0
81571,CO-ADD:0136619,-16.08,[H]N1CCOCC1.O2CCN(C(C=C(/Cl)Cl)C(O)=O)CC2,0.0
81572,CO-ADD:0137023,-16.08,c12c([C@@H](O)[C@@H](C)C(C)O1)c(OC(=O)C=C3CCC)c3c(OC(C)(C)C=C4)c24,0.0
81573,CO-ADD:0137143,-16.08,c12c(OCO1)cc3c(c2)C(c4cc(OC)c(OC)cc4)C(C(=O)OC5)=C5O3,0.0
81574,CO-ADD:0135663,-16.08,n1cccc(C(OCCCC)=O)c1,0.0
81575,CO-ADD:0135623,-16.09,S1CCN(CCO)C1=S,0.0
81576,CO-ADD:0135703,-16.1,n1cc(C(OC)=O)cc(C)c1,0.0
81577,CO-ADD:0137112,-16.1,c1c(O)c(O)ccc1C=CC(=O)OC2(C(O)=O)CC(O)C(OC(=O)C=C/c3ccc(O)c(O)c3)C(O)C2,0.0
81578,CO-ADD:0137072,-16.1,[H][C@]12[C@](N(C)C(c(cc(OC)c3OC)c1c3)=O)(c(cc(OC)c(c4)OS(C)(=O)=O)c4C2=O)[H],0.0
81579,CO-ADD:0136007,-16.11,n1c(c(c(O)cc1CC(OCC)=O)cc(C)c2)c2,0.0
81580,CO-ADD:0136031,-16.13,Fc(c(C)ccc1NC(SC(=S)N2[H])=N2)c1,0.0
81581,CO-ADD:0136097,-16.13,[O-][N+]1=C(c2ccccc2)C(C(CC)=[N+]1[O-])=NO,0.0
81582,CO-ADD:0136565,-16.13,O1c(cc(O)c(O)c2)c2C(=C3C1=CC(C(O)=C3)=O)c(ccc4)c(O)c4,0.0
81583,CO-ADD:0136462,-16.13,O(C)C(Nc1c2c(CCCCC(=O)N2[H])sc1)=O,0.0
81584,CO-ADD:0136798,-16.13,c1cc2c(c(nc([nH]3)c4c(O)cccc4)c3c(cccc5)c25)cc1,0.0
81585,CO-ADD:0136726,-16.14,O=C(C(=C/N)C(=O)N(c(ccc(C)c1)c1)C2=O)N2c(ccc(C)c3)c3,0.0
81586,CO-ADD:0136766,-16.14,O(CC)C(Nc(cc1c(nc(s1)N2CCCCCC2)c3)c3)=O,0.0
81587,CO-ADD:0136894,-16.15,o1c(cccc2)c2c(cc(O)c3C(Nc4cc(OC)ccc4OC)=O)c1c3,0.0
81588,CO-ADD:0136902,-16.16,O=C1c2c(cccc2)C(=O)N1C(Cc(c(N(CCO)CCO)ccc3)c3)C(O)=O,0.0
81589,CO-ADD:0136783,-16.17,O(C)c1c(cc2c(ncnc2NCCCCCO)c1OC)OC,0.0
81590,CO-ADD:0136735,-16.17,O(C(CN1CCOCC1)C)C(=O)c(cc(OC)c(OC)c2OC)c2,0.0
81591,CO-ADD:0135688,-16.17,[H]n1c(cc(O)cc2)c2c(ccn3)c1c3C,0.0
81592,CO-ADD:0135577,-16.18,c1c(O)nnc(Cl)c1,0.0
81593,CO-ADD:0136108,-16.19,c1cnc(O)c(OC(c2cc(Cl)ccc2)=O)c1,0.0
81594,CO-ADD:0136189,-16.19,O=C1C(O)=CC=CC(CC(=O)O2)=C1C2=O,0.0
81595,CO-ADD:0136078,-16.19,[O-][n+]1c(c(ccc2)ccc1)c2C(=O)CN,0.0
81596,CO-ADD:0136773,-16.2,S(C)c1sc(C(Nc2ccc([N+](=O)[O-])cc2)=O)c(N)n1,0.0
81597,CO-ADD:0136949,-16.2,Clc1c(cc(NC(=O)Oc2ccc(NC(NCC=C)=S)cc2)cc1)Cl,0.0
81598,CO-ADD:0135816,-16.22,[H]N1C[C@@H](C2)C[C@H](C1)C(=CC=CC3=O)N23,0.0
81599,CO-ADD:0135881,-16.23,C1C(OC(C)C)C(CC(O)=O)C(O)CC1,0.0
81600,CO-ADD:0136402,-16.23,N1(C(CN(CCC)CCC)=O)CC(=O)N([H])c(ccc2)c1c2,0.0
81601,CO-ADD:0136603,-16.24,S(c1ccc(C(=O)c(cccc2)c2)cc1)c(ccc([N+](=O)[O-])c3)c3,0.0
81602,CO-ADD:0136683,-16.24,[H]N1C(C(=C(O)c(ccc2)c1c2)N=Nc(ccc(C(N)=O)c3)c3)=O,0.0
81603,CO-ADD:0136676,-16.24,O=C(C(=C/c(ccc(N(C)C)c1)c1)C=C2c3ccc(CCC4)c(c3)C4)O2,0.0
81604,CO-ADD:0136852,-16.24,c1(N)ccc(C(Nc2ccc(NC(c3occc3)=O)c(O)c2)=O)cc1,0.0
81605,CO-ADD:0136202,-16.25,[As]1(O)(c(cccc2)c2c(ccc3)c1c3)=O,0.0
81606,CO-ADD:0136218,-16.25,Clc(ccc1)c(C=CC(=O)c(ccc(O)c2)c2)c1,0.0
81607,CO-ADD:0137170,-16.26,[H][C@]([C@@](O)([C@@H](OC(=O)c1ccc(OC)c(OC)c1)CC2)O3)(CC4)[C@@]2(C)[C@]3([C@@]4([C@](O)(C[C@@H]5O)[C@]6(O)[C@](C7)([C@@]5(O)[C@](C)(O)[C@@](CC[C@H](C)C8)([H])N78)[H])[H])C6,0.0
81608,CO-ADD:0137188,-16.26,c1(O)c(ccc(C2CC(=O)c(c(O)cc3OC(C(OC(C(O)C(O)C(O)C4C)O4)C(O)C(O)C5CO)O5)c(O2)c3)c1)OC,0.0
81609,CO-ADD:0135821,-16.27,n1cnc2c(cnn2C)c1NCc3ccccc3,0.0
81610,CO-ADD:0135885,-16.27,n1(c(c(cc(N)c2)nn1)c2)c(ccc3)cc3,0.0
81611,CO-ADD:0135901,-16.29,O=C1C2C(CC=CC2)C(=O)N1COC(NC)=O,0.0
81612,CO-ADD:0135985,-16.29,c1c(Nc(c(N)cc([N+](=O)[O-])c2)c2)ccc(O)c1,0.0
81613,CO-ADD:0136049,-16.29,C1CC(c2ccccc2)(c3ccccc3)CCC1=O,0.0
81614,CO-ADD:0228260,-16.3,S(=O)(=O)(N(CCC#N)C(C)C)c1ccccc1[N+](=O)[O-],0.0
81615,CO-ADD:0223632,-16.31,N(/c(cc1)ccc1Br)=C\c(ccc(c23)cccc2)c3,0.0
81616,CO-ADD:0228839,-16.31,C(=O)(N\N=C(/C)\CC(=O)Nc(cc1)ccc1C(N)=O)C(NCCO)=O,0.0
81617,CO-ADD:0223505,-16.31,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C/NC(C)(C)C,0.0
81618,CO-ADD:0223782,-16.31,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Nc2cccc(C)c2)c1,0.0
81619,CO-ADD:0230358,-16.32,c1(SCc2cccc(CSc3[nH]c(c4n3)cccc4)n2)[nH]c(c5n1)cccc5,0.0
81620,CO-ADD:0229989,-16.32,C(COc(ccc(c1C)C)c1)(=O)N\N=C(/C)\C=C\c2ccccc2,0.0
81621,CO-ADD:0223508,-16.32,C(=C\Nc1c(C)ccc(c1)N\C=C(\C(C)=C(C#N)C(N2C)=O)/C2=O)(/C(C)=C(C#N)C(N3C)=O)\C3=O,0.0
81622,CO-ADD:0230497,-16.33,[N+](=O)([O-])c1ccc(cc1)OC(=O)C(CCSC)NC(=O)OC(C)(C)C,0.0
81623,CO-ADD:0228305,-16.34,S(NCCCNc(cc1)c(Cl)cc1[N+](=O)[O-])(=O)(=O)c2ccc(cc2)Cl,0.0
81624,CO-ADD:0230446,-16.35,c1(cc(C)ccc1c2ccccc2)Oc3cccc(c3C#N)C#N,0.0
81625,CO-ADD:0232490,-16.36,c(\C=N\c1c(OC)ccc(OC)c1)(c(C)c2Cl)c(O)c(c2C)Br,0.0
81626,CO-ADD:0231936,-16.36,C(/Cl)(\[N+](=O)[O-])=C(\NCCO)/C(/Br)=C(/Cl)\Cl,0.0
81627,CO-ADD:0223269,-16.38,C(N)(=S)N\N=C(/C1)\CCC1,0.0
81628,CO-ADD:0223261,-16.39,C(c1ccccc1)(=O)Nc(cc2)ccc2NC(COc3ccccc3)=O,0.0
81629,CO-ADD:0232175,-16.39,[N+](=O)([O-])c(ccc(c1\C=N\NC(=O)c(ccc(n2)C)c2)OC(=O)c3cccc(Br)c3)c1,0.0
81630,CO-ADD:0235423,-16.39,C(C(OC)=O)(C1c2ccccc2F)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
81631,CO-ADD:0223432,-16.4,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(ccc(c34)OCO3)c4,0.0
81632,CO-ADD:0235739,-16.41,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3CCO)C1=O,0.0
81633,CO-ADD:0235361,-16.43,C1(C)(C)C(C1(C)C)C(=O)Nc2cccc(cccc3)c23,0.0
81634,CO-ADD:0235216,-16.43,c1(N(CC2)CCO2)nc(N\N=C\c3ccccc3C(F)(F)F)nc(Nc4ccc(cc4Br)C)n1,0.0
81635,CO-ADD:0231978,-16.43,N1(CNc2ccccc2F)C(=O)\C(\SC1=S)=C/c3ccccc3,0.0
81636,CO-ADD:0232080,-16.44,c(\C=N\NC(COc(cc1)ccc1C)=O)(cc(I)cc2I)c2O,0.0
81637,CO-ADD:0228614,-16.45,N1(CCc2ccccc2)C(=O)CC(N(CC3)CCN3c4ccccn4)C1=O,0.0
81638,CO-ADD:0228212,-16.45,N(c1ccc(cc1)C)(C2)C(=O)CC2C(=O)N(CC3)CCN3CCNC(=O)C(=O)Nc4ccccc4,0.0
81639,CO-ADD:0228228,-16.48,N1\C(=N/N=C/c2cccc(CC=C)c2O)\SCC1=O,0.0
81640,CO-ADD:0223453,-16.48,c12c(c3c(cccc3)[nH]1)nnc(SCc4ccccc4)n2,0.0
81641,CO-ADD:0230367,-16.5,C(=C/c(cc1)ccc1N(C)c2ccccc2)(/C(=O)NC(N3)=S)\C3=O,0.0
81642,CO-ADD:0228826,-16.5,N1(c2cccc(Cl)c2)C(=O)\C(\C(C)=N1)=C/NNc3cccc(Cl)c3,0.0
81643,CO-ADD:0228915,-16.51,N1(c(cc2)ccc2C(=O)Nc(cc3)ccc3\C=C\C(c4ccccc4)=O)C(=O)c(c5C1=O)ccc(c5)C(=O)Nc(cc6)ccc6\C=C\C(c7ccccc7)=O,0.0
81644,CO-ADD:0228463,-16.51,n1c(c2ccc(cc2)I)csc1Nc(cc3)ccc3F.Br,0.0
81645,CO-ADD:0230184,-16.51,[N+](=O)([O-])c1ccc(cc1)CC(=O)N\N=C\C=C\c(cc2)ccc2N(C)C,0.0
81646,CO-ADD:0229970,-16.51,c(cc1C)(cc(c1N)C)C(c2ccco2)c(cc3C)cc(c3N)C,0.0
81647,CO-ADD:0230043,-16.52,C(=C/c(cccc1Oc2ccccc2)c1)(/C(=O)NCc3ccccc3)\NC(=O)c4ccc(cc4)C,0.0
81648,CO-ADD:0230050,-16.53,[N+](=O)([O-])c1c(OCCCCC)ccc(c2ccc(cc2)C#N)c1,0.0
81649,CO-ADD:0235366,-16.54,C(=O)(C(=C)CC(=O)Nc1ccc(cc1F)F)Nc2ccc(cc2F)F,0.0
81650,CO-ADD:0222997,-16.54,[N+](=O)([O-])c(cccc1C(=O)N\N=C\c(ccc2SCC(=O)Nc(ccc(c34)cccc3)c4)o2)c1,0.0
81651,CO-ADD:0235138,-16.55,C(=O)(Oc1ccc(cc1OC)\C=N\NC(CNc2cccc(C)c2)=O)c3ccccc3I,0.0
81652,CO-ADD:0235401,-16.55,c12n(c(nn1)SCCSCCCCCCCC)ncn2N,0.0
81653,CO-ADD:0223424,-16.55,C(CCC1CCCCC1)(=O)NC(C)CC,0.0
81654,CO-ADD:0235220,-16.55,N1(c2ccc(cc2)OC)C(=O)CC(N(CC3)CCN3C(c4ccccc4)c5ccccc5)C1=O,0.0
81655,CO-ADD:0232040,-16.56,c1(oc(c2n1)cccc2C)c3cc(ccc3O)\N=C\c(cc(Br)c(c4Br)O)c4O,0.0
81656,CO-ADD:0232277,-16.56,c1(N2CCCC2)nc(N\N=C/c(cccc3C(F)(F)F)c3)nc(Nc4ccccc4)n1,0.0
81657,CO-ADD:0235237,-16.56,N(=C\c(ccc(c1OC)O)c1)/NC(CCc2ccccc2)=O,0.0
81658,CO-ADD:0223032,-16.58,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)C)CC(=O)N\N=C\c(cc3)ccc3OCC(OCCSC)=O,0.0
81659,CO-ADD:0235271,-16.58,C(=O)(N\N=C\c(c1c([nH]2)cccc1)c2)C(=O)NCc3ccccc3,0.0
81660,CO-ADD:0232709,-16.59,c1(\C(\CCC2)=N\O)c2c3c(ccc(Cl)c3)[nH]1,0.0
81661,CO-ADD:0230636,-16.59,n1(CC)c2c(c(cc(cc3)\C=N\c(cc4)ccc4NC(C)=O)c13)cccc2,0.0
81662,CO-ADD:0230623,-16.6,c1(c2ccccc2)cc3c(ccc(C)c3)[nH]1,0.0
81663,CO-ADD:0223077,-16.6,c1(ccc(cc1N(CC2)CCN2C)N(CC3)CCN3CCO)[N+](=O)[O-],0.0
81664,CO-ADD:0228637,-16.6,n1(nnc(C)c1C(=O)N\N=C(/C)\c2ccc(c3c2)cccc3)c4nonc4N,0.0
81665,CO-ADD:0232014,-16.6,c(\C=N\c(cc1)ccc1c(cc2)ccc2\N=C\c(c(C)c3Cl)c(O)c(c3C)Br)(c(C)c4Cl)c(O)c(c4C)Br,0.0
81666,CO-ADD:0228331,-16.61,c1(C#N)c(N)nc(c2c1c(cccc3[N+](=O)[O-])c3)CCCCCC2,0.0
81667,CO-ADD:0229960,-16.62,c12n(c(nn1)SC)ncn2\N=C\c(c(O)ccc3[N+](=O)[O-])c3,0.0
81668,CO-ADD:0230058,-16.62,S1(=O)(=O)C2C(CCCC2)OC(C(Cl)(Cl)Cl)=N1,0.0
81669,CO-ADD:0230093,-16.62,C(C)(NCCOc(cc1)ccc1Cl)=O,0.0
81670,CO-ADD:0223494,-16.62,C(=C\c(cc1)ccc1N(CC)CC)(/C(C)=NN2c3ccc(cc3)C)\C2=O,0.0
81671,CO-ADD:0230520,-16.63,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(ccc(c2OC)OCCC)c2,0.0
81672,CO-ADD:0223230,-16.63,c1(\C=N\NC(COc2c(C)cccc2C)=O)cc(Cl)ccc1OC,0.0
81673,CO-ADD:0232353,-16.63,c1(NC(=O)c(cc2)ccc2[N+](=O)[O-])sc(c(C)c1C#N)C,0.0
81674,CO-ADD:0232381,-16.65,C(C1)(C2)(CN(CN2C3)CN13)\C(\c4ccccc4)=N/N=C/c(ccc(c5OC)OC)c5,0.0
81675,CO-ADD:0223344,-16.65,C(/C#N)(=C/c1ccccc1Cl)\C(=O)Nc(ccc(c2C)C)c2,0.0
81676,CO-ADD:0235222,-16.65,C(C#N)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-],0.0
81677,CO-ADD:0235129,-16.65,C(=O)(Oc1ccc(cc1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)Br)c3ccccc3Cl,0.0
81678,CO-ADD:0232462,-16.65,c1(c(O)c(\C=N\c(cc2)ccc2C(OCCCC)=O)c(c(Cl)c1C)C)[N+](=O)[O-],0.0
81679,CO-ADD:0235680,-16.66,c1(N(CC2)CCO2)nc(Nc3ccccc3OC)nc(Nc4cc(C)ccc4C)n1,0.0
81680,CO-ADD:0232389,-16.66,N1C(=O)\C(\SC1=S)=C/c(ccc(c23)OCO2)c3,0.0
81681,CO-ADD:0232104,-16.67,C1(c(cc(cc2C3=N\C(\C(=O)O3)=C\c(cc4Br)cc(c4OC(C)=O)Br)C5=N\C(\C(=O)O5)=C/c(cc6Br)cc(c6OC(C)=O)Br)c2)=N\C(\C(=O)O1)=C\c(cc7Br)cc(c7OC(C)=O)Br,0.0
81682,CO-ADD:0232079,-16.67,c1(c2ccc(cc2)I)ccc(\C=N\NC(COc3ccccc3C)=O)o1,0.0
81683,CO-ADD:0223316,-16.68,N1(c(cc2Br)cc(c2N)Cl)C(=O)c3c(cc(cc3)Br)C1=O,0.0
81684,CO-ADD:0222999,-16.68,c1(Sc2ccc(\C=N\c3cccc(cccc4)c34)o2)nnnn1c5ccccc5,0.0
81685,CO-ADD:0230637,-16.69,c1(c2ccc(cc2)\N=C\c3ccc(Br)s3)sc4c(ccc(C)c4)n1,0.0
81686,CO-ADD:0223205,-16.7,c1(c(OC)cc(c(\C=N\NC(CNc2ccccc2C)=O)c1)OC)[N+](=O)[O-],0.0
81687,CO-ADD:0228499,-16.7,C12(c3c(NC1=O)ccc(Br)c3)C4=C(CC(C)(C)CC4=O)OC(N)=C2C(OCC)=O,0.0
81688,CO-ADD:0223086,-16.71,c1(ccc(cc1N(CC2)CCN2CCO)Cl)[N+](=O)[O-],0.0
81689,CO-ADD:0223219,-16.72,c1(c2ccc(cc2)I)ccc(\C=N\NC(COc(cc3)ccc3Cl)=O)o1,0.0
81690,CO-ADD:0230054,-16.72,N1(c2ccc(cc2)OC)C(=O)c3c(cc(cc3)NC(C)=O)C1=O,0.0
81691,CO-ADD:0223534,-16.73,C(=O)(N\N=C\c(cc1)ccc1C(OC)=O)C(=O)Nc2ccccc2CC,0.0
81692,CO-ADD:0223637,-16.73,c1(ccc(\C=N\NC(COc(cc2)ccc2CCCC)=O)s1)[N+](=O)[O-],0.0
81693,CO-ADD:0223686,-16.73,C(=O)(N\N=C\c1cccc(OC)c1OC)c2ccc(cc2)OCC,0.0
81694,CO-ADD:0223670,-16.73,C(=O)(N\N=C\c1ccc(cc1OCCC)OCCC)c2ccc(cc2)Br,0.0
81695,CO-ADD:0228096,-16.74,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C(/C)\C=C\c3ccccc3,0.0
81696,CO-ADD:0223081,-16.75,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(cc2)ccc2OCC(OC)=O)c3ccccc3OC,0.0
81697,CO-ADD:0232371,-16.75,C(=O)(Oc(cc1)ccc1C(C)(C)c2ccccc2)Nc(ccc(c3Cl)Cl)c3,0.0
81698,CO-ADD:0232363,-16.75,c(CN1CCCCC1)(c2c([nH]3)cccc2)c3,0.0
81699,CO-ADD:0235764,-16.75,C1(=S)NC(C)(C)C=C(C)N1c2ccccc2OC(C)=O,0.0
81700,CO-ADD:0235378,-16.75,N1(C(=O)CCC1C(=O)Nc2ccc(cc2C)C)C(=O)OCc3ccccc3,0.0
81701,CO-ADD:0235740,-16.77,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3Cc4ccccc4)C1=O,0.0
81702,CO-ADD:0235215,-16.77,C1(=O)Nc(c2N1)ccc(c2)\N=C\c3ccccc3C(F)(F)F,0.0
81703,CO-ADD:0223362,-16.78,C(/C#N)(=C\c1ccc(cc1Cl)Cl)\C(=O)Nc(ccc(c2C)C)c2,0.0
81704,CO-ADD:0231903,-16.79,C(=O)(c1ccccc1Br)Oc2c(Br)cc(cc2\C=N\NC(=O)c(cccn3)c3)Br,0.0
81705,CO-ADD:0235622,-16.79,c1(C(=O)NCc2ccco2)c(Cl)c(c3s1)ccc(F)c3,0.0
81706,CO-ADD:0222939,-16.8,c12c(ccc(c1)\C=N\c(cc3)ccc3c4ccccc4)OCCOCCOCCO2,0.0
81707,CO-ADD:0230762,-16.81,c1(ccc(cc1O)OCC=C)\C=N\c2cccc(Cl)c2,0.0
81708,CO-ADD:0232088,-16.81,c1(c(Br)cc(cc1\C=N\NC(COc2cccc(C)c2)=O)Br)OC(=O)c3cccc(F)c3,0.0
81709,CO-ADD:0228524,-16.81,c1(C#N)c(C)cc(nc1SCC(=O)Nc2cccc(C)n2)C,0.0
81710,CO-ADD:0223620,-16.81,c1(ccc(cc1Cl)Cl)\C=N\c2cccc(C)c2,0.0
81711,CO-ADD:0228752,-16.81,c1(cccs1)C(CCNc(cc2)ccc2I)=O,0.0
81712,CO-ADD:0235710,-16.83,N(\C(=C/c(cc1)ccc1OC(C)=O)\C(O2)=O)=C2c(ccc(c34)OCO3)c4,0.0
81713,CO-ADD:0223615,-16.83,c1(cc(Cl)cc(\C=N\c(cc2)ccc2C)c1O)[N+](=O)[O-],0.0
81714,CO-ADD:0228975,-16.83,[N+](=O)([O-])c1ccccc1\C=N\NC(=O)c2ccccc2Cl,0.0
81715,CO-ADD:0228558,-16.83,c1(ccc(C(C)(C)C)s1)c2c3c(CCCC3)nc(N)c2C#N,0.0
81716,CO-ADD:0223090,-16.83,N1=C(N\N=C\c(cc2)ccc2C(C)C)SCC1=O,0.0
81717,CO-ADD:0223708,-16.84,C(COc(cc1)ccc1Cl)(=O)Nc2cccc(C)c2,0.0
81718,CO-ADD:0230826,-16.85,C(OC)(=O)c1ccc(cc1)\C=N\NC(CCC(=O)Nc(cc2)ccc2F)=O,0.0
81719,CO-ADD:0230201,-16.85,[N+](=O)([O-])c1ccc(cc1)\C=N\NC(=O)c2ccc(cc2)OCCCCCCCCCC,0.0
81720,CO-ADD:0228115,-16.85,C1(c2ccccc2Br)=N\C(\C(=O)O1)=C/c(cc3)ccc3C(C)C,0.0
81721,CO-ADD:0235100,-16.86,C(=O)(c1cccc(F)c1)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
81722,CO-ADD:0232635,-16.86,C(/CCc(c12)cccc1)(=C/c3ccc(cc3Cl)Cl)\C2=O,0.0
81723,CO-ADD:0235134,-16.86,[N+](=O)([O-])c1ccccc1OCC(=O)N\N=C\c(cc2)cc(c2OC(=O)c3cccc(Br)c3)OC,0.0
81724,CO-ADD:0235862,-16.87,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(c2ccccc2)=O,0.0
81725,CO-ADD:0235227,-16.87,C(C#N)(C1c(cccn2)c2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Br,0.0
81726,CO-ADD:0232296,-16.88,c1(sccn1)NC(=O)\C=C\c2ccccc2,0.0
81727,CO-ADD:0232251,-16.88,c1(N2CCCCCC2)nc(N\N=C/c(cc(Br)c(c3)O)c3O)nc(Nc(cc4)ccc4[N+](=O)[O-])n1,0.0
81728,CO-ADD:0232750,-16.88,n1(C(C)=O)c2c(c(CCCC3)c13)cccc2,0.0
81729,CO-ADD:0228759,-16.88,[N+](=O)([O-])c(cc1)ccc1c2ccc(\C=N\NC(=O)Cc3cccc(cccc4)c34)o2,0.0
81730,CO-ADD:0223567,-16.88,c1(nc(N(C)C)nc(N(C)C)n1)N2CC(OC2=N)CCl,0.0
81731,CO-ADD:0223796,-16.89,C(Cc(cc1C(C)(C)C)cc(c1O)C(C)(C)C)(C(c2ccccc2)=O)C(c3ccccc3)=O,0.0
81732,CO-ADD:0228398,-16.89,C1(C(OCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)CC,0.0
81733,CO-ADD:0223157,-16.89,C(COc(cc1)ccc1Cl)(=O)N\N=C\c(cc2)ccc2C(OC)=O,0.0
81734,CO-ADD:0223583,-16.9,c1(SCC(=O)N\N=C\c(ccc(c2OC)OC)c2)oc(c3n1)cccc3,0.0
81735,CO-ADD:0228925,-16.9,n1c(cccc1C(=O)N\N=C\c(cc2Br)cc(c2O)Br)C(=O)N\N=C\c(cc3Br)cc(c3O)Br,0.0
81736,CO-ADD:0235268,-16.9,S(=O)(=O)(N1CCCCC1)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c(ccc(c34)OCO3)c4,0.0
81737,CO-ADD:0228505,-16.91,C12(c3c(NC1=O)ccc(Br)c3)C(C#N)=C(N)Oc4c2c(C)n[nH]4,0.0
81738,CO-ADD:0228797,-16.91,N1(c2ccc(c(C)c2)C)C(=O)\C(\C(C)=N1)=C\NC(C)(C)C,0.0
81739,CO-ADD:0228851,-16.92,C(F)(F)(C(F)(F)C(=O)Nc1sccn1)C(F)(F)C(F)(F)C(=O)Nc2sccn2,0.0
81740,CO-ADD:0228581,-16.93,N1(C(c2ccc(cc2)OC)CC(c3ccc(cc3)OC)=N1)c4scc(c(ccc(c5F)OC)c5)n4.Br,0.0
81741,CO-ADD:0222861,-16.93,[N+](=O)([O-])c(cc1)ccc1c2ccc(cc2)\N=C\c(ccc(c3Cl)Cl)c3,0.0
81742,CO-ADD:0232137,-16.95,c(OC)(c(OC)c1)c(OC)cc1C(=O)NCC(=O)N\N=C\c2ccc(cc2Cl)Cl,0.0
81743,CO-ADD:0232793,-16.96,N(=C\c1ccc[nH]1)/c(cc2)c(C)cc2c3ccc(c(C)c3)\N=C\c4ccc[nH]4,0.0
81744,CO-ADD:0232318,-16.96,c12c(C(NC=N1)=O)c(c(C)s2)C,0.0
81745,CO-ADD:0232146,-16.97,N1(c2cccc(C)c2)C(=O)C(SC1=O)Br,0.0
81746,CO-ADD:0235266,-16.97,s1c(C(C)C)nnc1NC(=O)c2ccc(cc2)OC,0.0
81747,CO-ADD:0223696,-16.98,C(=O)(N\N=C\c1cccc(OC)c1OC)C(C)Oc(cc2)ccc2OCCCCC,0.0
81748,CO-ADD:0228386,-16.98,c1(cc(c2o1)cccc2)C(=O)c3cccs3,0.0
81749,CO-ADD:0230138,-16.99,C(COc(cc1)ccc1CCCCC)(=O)N\N=C\c2cccc(Cl)c2,0.0
81750,CO-ADD:0228365,-16.99,c12c(ccc(OC)c1OC)C(OC2=O)Nc(cc3OC)cc(c3OC)OC,0.0
81751,CO-ADD:0228721,-17.03,c1(\C(=N/O)\c2c3cccc2)c3nc4c(cccc4)n1,0.0
81752,CO-ADD:0228768,-17.03,[N+](=O)([O-])c1c(I)ccc(c1)C(=O)Nc(cc2)ccc2C(OCCCCC)=O,0.0
81753,CO-ADD:0223054,-17.04,N(C(CCC(=O)N\N=C\c1cccc(Cl)c1Cl)=O)c2ccc(cc2C)I,0.0
81754,CO-ADD:0229984,-17.05,C(F)(F)(Oc1ccccc1NC(=O)Nc2cccc(cccc3)c23)C(F)C(F)(F)F,0.0
81755,CO-ADD:0223581,-17.06,[C@@]1(C)(C(O)C2)C(CC[C@]1(O)C#N)C(C23)CCC(=CC(=O)CC4)[C@@]34C,0.0
81756,CO-ADD:0228905,-17.07,c1(c(O)c(\C=N\c2cc(ccc2O)Cc(ccc(c3\N=C\c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4O)O)c3)cc(c1)[N+](=O)[O-])[N+](=O)[O-],0.0
81757,CO-ADD:0230813,-17.07,C(=O)(N\N=C\c1c(ccc(cccc2)c12)OCc3ccccc3)C(=O)Nc4cccc(Cl)c4C,0.0
81758,CO-ADD:0230886,-17.07,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])\C(\c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c23)=C\OC(C)=O,0.0
81759,CO-ADD:0235097,-17.07,C(=O)(Oc1cccc(c1)\C=N\NC(COc(cc2)ccc2Cl)=O)c3cccc(Br)c3,0.0
81760,CO-ADD:0222904,-17.08,C(=O)(c1ccc(cc1)F)Oc(ccc(c23)cccc2)c3,0.0
81761,CO-ADD:0222858,-17.08,C(=O)(Nc1sccn1)c2ccc(cc2Cl)Cl,0.0
81762,CO-ADD:0230784,-17.08,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2ccccc2\C=N/NC(c3ccccc3)=O)c1,0.0
81763,CO-ADD:0223250,-17.08,C(=N\Nc1c(Br)cc(cc1Br)Br)(/C2=O)\C(=O)NC(=O)N2,0.0
81764,CO-ADD:0222888,-17.09,[N+](=O)([O-])c1ccc(cc1)\C=N\c(cc2)ccc2C(=O)NCC(O)=O,0.0
81765,CO-ADD:0228232,-17.09,n1(c2cccc(cccc3)c23)nnnc1SCC(=O)Nc4c(C)cc(cc4C)C,0.0
81766,CO-ADD:0228217,-17.09,c(C#N)(c1c2ccccc2)c(\N=C\c(c3c([nH]4)cccc3)c4)oc1c5ccccc5,0.0
81767,CO-ADD:0230354,-17.1,N(C(c1ccccc1)CC(c2ccccc2)=O)c3cccc(C)c3C,0.0
81768,CO-ADD:0228626,-17.1,[N+](=O)([O-])c(cc1)ccc1c2csc(C)n2,0.0
81769,CO-ADD:0230250,-17.11,C(c1ccccc1)(=O)Nc(cc2)ccc2C(=O)N\N=C\C=C\c3ccccc3,0.0
81770,CO-ADD:0223676,-17.11,C(=O)(N\N=C\c1cc(OC)ccc1Br)C(C)Oc2cccc(Cl)c2,0.0
81771,CO-ADD:0235276,-17.11,N1(\N=C\c(cc2OC)cc(c2OC)OC)C(=O)c3c(c4C1=O)c(ccc3)ccc4,0.0
81772,CO-ADD:0228467,-17.12,N1(c2c(O)ccc(Br)c2)C(=O)c(c(cc(c3C4=O)C(N4c5c(O)ccc(Br)c5)=O)C1=O)c3,0.0
81773,CO-ADD:0228107,-17.13,C(CNc(ccc(c12)cccc1)c2)(=O)N\N=C\c(ccc(c3Br)OC)c3,0.0
81774,CO-ADD:0232276,-17.14,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(cc2)ccc2F,0.0
81775,CO-ADD:0230088,-17.14,[B-]12(c3ccccc3)OC(c4c(cccc4)O1)P(c5ccccc5)C(c6ccccc6O)O2.[N+]([H])(CC)(CC)CC,0.0
81776,CO-ADD:0230779,-17.15,[N+](=O)([O-])c(cc(cc1[N+](=O)[O-])C(=O)Oc2ccccc2\C=N/NC(CCCCC(=O)N\N=C\c3ccccc3OC(=O)c(c4)cc(cc4[N+](=O)[O-])[N+](=O)[O-])=O)c1,0.0
81777,CO-ADD:0232548,-17.15,n(\N=C\c1cc(OC)ccc1OC)(cnn2)c2,0.0
81778,CO-ADD:0235686,-17.16,c1(c(Cl)ccc(c1)[N+](=O)[O-])C(=O)Nc(cc2)ccc2C(C)=O,0.0
81779,CO-ADD:0223324,-17.17,C1(c2c(cccc2)Oc(cccc3)c13)NC(=O)c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])c4,0.0
81780,CO-ADD:0235540,-17.18,c(C#N)(c(\C(\C#N)=C\c(ccc(c1OC)OCc2ccc(cc2Cl)Cl)c1)nn3c4ccccc4)c3N,0.0
81781,CO-ADD:0235294,-17.18,C1(Nc(cccc2[N+](=O)[O-])c2)OC(CO)C(C(O)C1O)O,0.0
81782,CO-ADD:0228314,-17.18,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(=O)c3ccc(cc3)F)sc(c4n1)cccc4,0.0
81783,CO-ADD:0228767,-17.18,C(=O)(c(cccc1C(=O)Nc(cc2)ccc2C(OCCCCC)=O)c1)Nc(cc3)ccc3C(OCCCCC)=O,0.0
81784,CO-ADD:0232233,-17.2,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c4c5c(cccc5)cc(cccc6)c46,0.0
81785,CO-ADD:0232032,-17.2,n1c2c(oc1c3cccc(F)c3)ccc(c2)\N=C\c(c(C)c4Cl)c(O)c(c4C)Br,0.0
81786,CO-ADD:0222934,-17.21,N(/c(cc1)ccc1c2ccccc2)=C\c(cc3)ccc3N(CC)CC,0.0
81787,CO-ADD:0228042,-17.23,n1c2c(oc1c3ccc(cc3)Br)ccc(c2)\N=C\c(cc(C)c(c4Br)C)c4O,0.0
81788,CO-ADD:0230884,-17.26,c12c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])c23)C=O,0.0
81789,CO-ADD:0230846,-17.27,[N+](=O)([O-])c(cc1)ccc1C(=O)N\N=C(\C)/C=C\c2ccccc2,0.0
81790,CO-ADD:0228933,-17.27,C(=N/c1cccc(cccc2)c12)(/c3c4ccc(c3)[N+](=O)[O-])\c(cc(C(OCC)=O)c(n5)C)c45,0.0
81791,CO-ADD:0235514,-17.28,n1(c2c(n3)cccc2)c3S\C(=C/c4cc(Br)cc(Br)c4OCc5ccc(cc5Cl)Cl)\C1=O,0.0
81792,CO-ADD:0228486,-17.28,N1(c2ccc(cc2)Cl)C(N(O)C(=O)Nc(cc3)ccc3Cl)C(N(CCC4=CCCCC4)C1=O)(C)C,0.0
81793,CO-ADD:0230101,-17.28,C(COc1cccc(Cl)c1)(=O)N\N=C\c(cc2)ccc2N(CC)CC,0.0
81794,CO-ADD:0235920,-17.29,S(c1ccccc1)(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c3ccc(cc3C)Cl,0.0
81795,CO-ADD:0235594,-17.3,S(=O)(=O)(N(CC1)CCO1)c2c(OC)ccc(c2)C(=O)Oc3ccc(cc3n4nc(c5n4)cccc5)C,0.0
81796,CO-ADD:0232432,-17.31,C(/C)(=C/NCCSSCCN\C(\C)=C\C(C)=O)\C(C)=O,0.0
81797,CO-ADD:0232217,-17.31,c1(\C=N\c2cccc(Cl)c2Cl)c(O)c(OC)cc(Br)c1Br,0.0
81798,CO-ADD:0235637,-17.32,C(=O)(N[C@@H]1CSC[C@@H]1OC(C)=O)NC(C)=O,0.0
81799,CO-ADD:0223376,-17.33,C(CCC(NCCc1ccccc1)=O)(=O)[O-].[Na+],0.0
81800,CO-ADD:0229996,-17.35,c1(c(C)non1)C(=O)N\N=C\c(cc2)ccn2,0.0
81801,CO-ADD:0230423,-17.36,c1(cnn(C)c1C(=O)Nc(cc2)ccc2Cl)[N+](=O)[O-],0.0
81802,CO-ADD:0232779,-17.37,c(N1CCC(CC1)C)(n2)nc(nc2N3CCC(CC3)C)N4CCC(CC4)C,0.0
81803,CO-ADD:0232194,-17.37,c1(\C=N\c(ccc(c2OC)OC)c2)c(O)c(OC)cc(Br)c1Br,0.0
81804,CO-ADD:0230626,-17.38,c(cc(cc1)C=O)(Cc(c23)cccc2)c13,0.0
81805,CO-ADD:0235804,-17.38,c(cc(cccc1)c1n2)(c23)\C(=N/c(cc4)ccc4C)\c5c3cccc5,0.0
81806,CO-ADD:0229980,-17.39,C(=C/c(ccc1c(cccc2[N+](=O)[O-])c2)o1)(/C(=O)NC(N3)=S)\C3=O,0.0
81807,CO-ADD:0230059,-17.4,[n+](cc1)(ccc1c(cc2)cc[n+]2CCCN)CI.[Br-],0.0
81808,CO-ADD:0235639,-17.41,c1(C(O)=O)[nH]c(c(C(C)=O)c1C)C,0.0
81809,CO-ADD:0232450,-17.41,C(=O)(Oc1ccc(cc1OC)\C=N\NC(=O)c(c2)cc(cn2)Br)c3ccccc3Br,0.0
81810,CO-ADD:0235431,-17.42,C(C(OC)=O)(C1c2ccc(cc2)Br)=C(N)OC(CCCC3=O)=C13,0.0
81811,CO-ADD:0232676,-17.43,C1(C(=O)OC2CCCCC2)=C(C)NC(NC1c3cc(OC)ccc3OC)=O,0.0
81812,CO-ADD:0235752,-17.44,C(C#N)(C1c(cc2)ccc2[N+](=O)[O-])=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
81813,CO-ADD:0223374,-17.44,C(O\N=C\c(cc1)ccc1OCCCC)(=O)Nc(cc2)ccc2Cl,0.0
81814,CO-ADD:0229966,-17.44,n1c2c(sc1c3ccc(cc3)\N=C\c(ccc4c(cccc5C(F)(F)F)c5)o4)ccc(C)c2,0.0
81815,CO-ADD:0231993,-17.44,c(\C=N\c(cc1)ccc1C)(c(C)c2Cl)c(O)c(c2C)Br,0.0
81816,CO-ADD:0223639,-17.45,C(COc(cc1)ccc1CCC)(=O)N\N=C\c2ccc(cc2OCCC)OCCC,0.0
81817,CO-ADD:0230249,-17.45,N(=C\c(ccc(c1OC)OC)c1)/NC(CCCCCCC)=O,0.0
81818,CO-ADD:0223750,-17.46,C(COc(cc1)ccc1C)(=O)N\N=C\c(ccc(c2OCC=C)OCC=C)c2,0.0
81819,CO-ADD:0235123,-17.47,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\c(cc(Cl)cc4Cl)c4O,0.0
81820,CO-ADD:0222963,-17.47,N1(c2ccc(cc2)C)C(=O)C(C(C1=O)C34\C=N\NC(=O)C(=O)Nc(cc5)ccc5CCCC)C(c(c36)cccc6)c(c47)cccc7,0.0
81821,CO-ADD:0235770,-17.47,N(/c1ccc(cc1C#N)Br)=C(/CCC2)\N2C.Cl,0.0
81822,CO-ADD:0223404,-17.48,[N+](=O)([O-])c(cccc1c2ccc(\C=N\c(cc3)ccc3c4ccccc4)o2)c1,0.0
81823,CO-ADD:0223425,-17.49,C(COc(cc1)ccc1F)(=O)N\N=C\c2ccccc2OCc3cccc(OC)c3,0.0
81824,CO-ADD:0235161,-17.49,C(=O)(Oc1cccc(c1)\C=N\NC(=O)Cc2cccc(cccc3)c23)c4ccccc4Cl,0.0
81825,CO-ADD:0235750,-17.49,C(C#N)(C1c2ccc(cc2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)Cl,0.0
81826,CO-ADD:0223816,-17.49,[N+](=O)([O-])c1ccccc1\C=C/C(=O)N(CC2)CCO2,0.0
81827,CO-ADD:0228944,-17.5,C1(C(OCC)=O)=C(C(Br)Br)NC(=O)NC1c2ccccc2,0.0
81828,CO-ADD:0228772,-17.5,C(=O)(c1ccc(cc1)CCCC)Nc(cc2)ccc2C(C)=O,0.0
81829,CO-ADD:0230857,-17.51,c(OC)(c(OC)c1)c(OC)cc1C(=O)N\N=C(/CC2)\CCC2c3ccccc3,0.0
81830,CO-ADD:0230191,-17.52,c12n(c(cc(C)n1)C)nc(C(OC)=O)n2,0.0
81831,CO-ADD:0230876,-17.52,C(=O)(N\N=C\c(cc1)ccc1C#N)c2ccc(cc2)C,0.0
81832,CO-ADD:0235568,-17.53,c12c(nnc(SCC(=O)c3ccc(cc3)Br)n1)c4c(cccc4)n2C,0.0
81833,CO-ADD:0235503,-17.54,C(=N\c1c(C)cc(cc1C)C)(/C2=O)\c3c(N2)cc(Br)c(C)c3,0.0
81834,CO-ADD:0235086,-17.55,c1(c(Br)cc(cc1\C=N\NC(COc2c(Br)cc(cc2Br)Br)=O)Br)OC(=O)c3ccco3,0.0
81835,CO-ADD:0235070,-17.55,C(=O)(Oc(cc1)ccc1\C=N\NC(COc(ccc(c2C)C)c2)=O)c3cccc(Br)c3,0.0
81836,CO-ADD:0222870,-17.55,N(C(=O)c1ccc(cc1)Br)c2sccn2,0.0
81837,CO-ADD:0235882,-17.55,C(OCCCCCCCC)(=O)c1ccc(cc1)N,0.0
81838,CO-ADD:0235869,-17.56,[N+](=O)([O-])c(cc1)ccc1C(=O)COC(CCCCCCCCC(=O)OCC(=O)c(cc2)ccc2[N+](=O)[O-])=O,0.0
81839,CO-ADD:0230303,-17.56,S(c1ccccc1)(=O)(=O)N2C(C)CC(C(C)C2)=O,0.0
81840,CO-ADD:0223705,-17.56,N(C(COc(cc1)ccc1Cl)=O)c2ccc(cc2C)C,0.0
81841,CO-ADD:0228126,-17.57,N(\C(=C/c(cc1)ccc1C(C)C)\C(O2)=O)=C2c3ccc(cc3)I,0.0
81842,CO-ADD:0228556,-17.58,C1(=Cc2c(OC1=O)cccc2)C(=O)Nc3ccc(cn3)C,0.0
81843,CO-ADD:0230842,-17.58,N1(c2ccc(cc2)OCC)C(=O)C(CC1=O)SCC(O)=O,0.0
81844,CO-ADD:0232326,-17.59,C(=O)(c(cc1)ccc1C(C)(C)C)NCc2ccco2,0.0
81845,CO-ADD:0232090,-17.59,c1(\C=N\NC(CNc2cccc(cccc3)c23)=O)cc(OCC)ccc1O,0.0
81846,CO-ADD:0232320,-17.6,C1(C(OCC)=O)=C(C)NC(=O)C1CC(=O)Nc2ccccc2,0.0
81847,CO-ADD:0232312,-17.6,n1c(Cl)c(C#N)c(c(Cl)c1NN)Cl,0.0
81848,CO-ADD:0235791,-17.61,C(NCCOc(cc1)ccc1F)(=O)Nc2cccc(c2)NC(NCCOc(cc3)ccc3F)=O,0.0
81849,CO-ADD:0230345,-17.61,C(/c1c(N2)ccc(Br)c1)(=N/c3cccc(C)c3C)\C2=O,0.0
81850,CO-ADD:0230199,-17.62,C(=O)(N\N=C\c(cc1)ccc1Br)c2ccc(cc2)OCCCCCCCCCC,0.0
81851,CO-ADD:0230806,-17.62,C(CCCCCCCCCCC(=O)NC1CCCCC1)(=O)NC2CCCCC2,0.0
81852,CO-ADD:0231958,-17.62,n1c2c(oc1c3ccc(c(C)c3)C)ccc(c2)\N=C\c(ccc(c4Cl)Cl)c4,0.0
81853,CO-ADD:0230666,-17.63,C(Oc(cc1)ccc1C(=O)Nc2cccc(C)c2)(=S)Nc(cc3)ccc3Br,0.0
81854,CO-ADD:0223140,-17.64,C(COc(cc1)ccc1Cl)(=O)N\N=C\c(ccc(c2OCC)O)c2,0.0
81855,CO-ADD:0230307,-17.64,C(C(OCC)=O)(=C(C)NC(=C1C(OCC)=O)C)C1c2ccc(c(OC)c2)OC,0.0
81856,CO-ADD:0231954,-17.64,[N+](=O)([O-])c1ccc(c(Br)c1)OCC(=O)N\N=C\c(cc2)ccc2C,0.0
81857,CO-ADD:0230753,-17.65,C(N(C)C)(=S)Oc(cc1)ccc1C(=O)Nc(cc2)ccc2I,0.0
81858,CO-ADD:0230724,-17.66,S(c1ccccc1)(=O)(=O)N(CC(=O)N\N=C\c(ccc(c2OC)OCC=C)c2)c3ccccc3OC,0.0
81859,CO-ADD:0232292,-17.66,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)SCC(=O)Nc(cc3)ccc3OC,0.0
81860,CO-ADD:0232056,-17.67,C(=O)(Oc1ccc(cc1OC)\C=N\NC(COc2cccc(Cl)c2)=O)c3ccccc3Cl,0.0
81861,CO-ADD:0232142,-17.67,c1(I)ccc(\C=N\NC(CNC(=O)c2ccc(cc2)Cl)=O)o1,0.0
81862,CO-ADD:0232300,-17.67,N(=C1c2ccccc2)\C(\C(O1)=O)=C/c3c(O)ccc(cccc4)c34,0.0
81863,CO-ADD:0232254,-17.68,c1(c(O)cc(c(Cl)c1C)C)\C=N\c2ccccc2O,0.0
81864,CO-ADD:0232255,-17.68,c1(c(O)cc(c(Cl)c1C)C)\C=N\c(cc2)ccc2C(C)=O,0.0
81865,CO-ADD:0223493,-17.69,C(/C(C)=NN1c2ccc(cc2)C)(=C\c3ccccc3[N+](=O)[O-])\C1=O,0.0
81866,CO-ADD:0223445,-17.69,C(=C/c(cc1)ccc1OCCC)(/NC(c2ccccc2)=O)\C(=O)N\N=C\c(cc(Br)cc3Br)c3O,0.0
81867,CO-ADD:0223805,-17.69,[N+](=O)([O-])c1ccccc1\C=C\C(=O)Nc(cc2)ccc2OC,0.0
81868,CO-ADD:0228725,-17.7,C(=C/c(cc1)ccc1OC)(/c(cccn2)c23)\c(cc(C)cc4)c34,0.0
81869,CO-ADD:0228435,-17.72,C(/C1=O)(=C/c2ccccc2OCC=C)\C(c3ccc(cc3)Cl)=NO1,0.0
81870,CO-ADD:0228457,-17.72,N1(c2cccc(cccc3)c23)C(=O)C4C(C1=O)C(C(=O)C45)C(=C5c6ccc(cc6)OC)c7ccc(cc7)OC,0.0
81871,CO-ADD:0223434,-17.74,c1(nn(cn1)CC(=O)N\N=C\c(cccc2Oc3ccccc3)c2)[N+](=O)[O-],0.0
81872,CO-ADD:0230004,-17.74,C(=O)(NCc1ccccc1Cl)C(NCCC(C)C)=O,0.0
81873,CO-ADD:0228719,-17.74,C(/c1c2cccc1)(=N\c3ccccc3C)\c(cc(cccc4)c4n5)c25,0.0
81874,CO-ADD:0230437,-17.74,C(=O)(c1ccc(c(OC)c1)OC)Nc2cccc(cccc3)c23,0.0
81875,CO-ADD:0230433,-17.75,C(=O)(C(c1ccccc1)c2ccccc2)Nc(ccc(c34)cccc3)c4,0.0
81876,CO-ADD:0228945,-17.75,C(N)(=S)N\N=C(\C)/CCc(cc1)ccc1O,0.0
81877,CO-ADD:0235293,-17.76,S(=O)(=O)(N1CCCCC1)c2c(C)ccc(c2)C(=O)Nc(cc3)ccc3NC(c4ccccc4)=O,0.0
81878,CO-ADD:0232596,-17.76,C1(C(OCCOC)=O)=C(C)NC(NC1c(ccc(c23)OCO2)c3)=O,0.0
81879,CO-ADD:0232148,-17.77,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2ccccc2\C=N\NC(COc3ccc(cc3Br)OC)=O,0.0
81880,CO-ADD:0235578,-17.79,S(=O)(=O)(N(CC1)CCO1)c2c(Cl)ccc(c2)C(=O)Nc3nnc(c4ccccc4)s3,0.0
81881,CO-ADD:0235634,-17.81,c1(c2ccc(cc2)N)ncc(cn1)c3ccc(cc3)N,0.0
81882,CO-ADD:0235192,-17.85,n1c2c(oc1c3cccc(C)c3)ccc(c2)\N=C\c(cc4)ccc4OCc5ccccc5,0.0
81883,CO-ADD:0235206,-17.85,c1(ccc(cc1Cl)Cl)C(=O)Oc(cc2)ccc2C=O,0.0
81884,CO-ADD:0222951,-17.85,[n+]1(ccc(c(cccc2)c12)C)CC(=O)c(cc3)ccc3[N+](=O)[O-],0.0
81885,CO-ADD:0235182,-17.85,C(=O)(c1cccc(OC)c1)Oc2ccc(cc2OC)\C=N\NC(COc(cc3)ccc3Cl)=O,0.0
81886,CO-ADD:0232714,-17.86,c1(\C(\CCC2)=N\N=C/c(cc3)ccc3[N+](=O)[O-])c2c4c(ccc(C5CCCCC5)c4)[nH]1,0.0
81887,CO-ADD:0235165,-17.87,n1c2c(oc1c3cccc(OC)c3)ccc(c2)\N=C\C=C\c4ccccc4,0.0
81888,CO-ADD:0223402,-17.88,C(=O)(N\N=C\c(ccc(c1Cl)Cl)c1)C(=O)Nc2c(CC)cccc2CC,0.0
81889,CO-ADD:0230381,-17.89,c1(Nc(cc2)ccc2N(CC3)CCN3CC)nc(\C=C/c(cc4)ccc4Cl)nc(cc(cccc5)c5c6)c16,0.0
81890,CO-ADD:0228661,-17.89,n1(CC=C)c(CCC(COCCCC)O)nnc1S,0.0
81891,CO-ADD:0228618,-17.9,N1(c2ccc(cc2)OCCC)C(=O)CC(N3CCC(CC3)C)C1=O,0.0
81892,CO-ADD:0230620,-17.9,C1(C(OCC)=O)=C(C)NC(=S)NC1c2ccccc2,0.0
81893,CO-ADD:0230417,-17.9,N(=C\c(cc1)ccc1O)/c2ccccc2C,0.0
81894,CO-ADD:0235159,-17.9,c1(\C=N\c(ccc(c23)oc(c4ccc(cc4)C)n2)c3)c(O)c(OC)cc(Br)c1Br,0.0
81895,CO-ADD:0235945,-17.9,c1(OCC(=O)N\N=C\c2cc(Br)ccc2OC)c(Br)cc(cc1Br)Br,0.0
81896,CO-ADD:0228903,-17.9,C(=C/c(ccc(c12)OCO1)c2)(/NC(c3ccccc3)=O)\C(=O)N\N=C\c(cc4)cc(c4OC(=O)c(cc5OC)cc(c5OC)OC)OC,0.0
81897,CO-ADD:0228035,-17.9,[N+](=O)([O-])c(cc1)ccc1C(=O)Oc2cccc(c2)\C=N\NC(CNC(=O)c3ccc(c(OC)c3)OC)=O,0.0
81898,CO-ADD:0230020,-17.9,N1(CN(c2ccccc2)c3ccccc3)C(=S)OC(c4ccccc4OC)=N1,0.0
81899,CO-ADD:0230511,-17.9,S(c1ccccc1)(=O)(=O)N(c2ccc(c(Cl)c2)Cl)CC(=O)N\N=C\c(cc3)ccc3OCc(cc4)ccc4C,0.0
81900,CO-ADD:0232588,-17.92,C(=O)(c1ccccn1)N\N=C(\C)/C(/C)=N\O,0.0
81901,CO-ADD:0232159,-17.92,C(=O)(Oc(cc1)ccc1\C=N\NC(CNC(=O)c(cc2OC)cc(c2OC)OC)=O)c3cccc(Br)c3,0.0
81902,CO-ADD:0230763,-17.93,C(COc1ccccc1C)(=O)N\N=C(/C)\CC(NCCc2ccccc2)=O,0.0
81903,CO-ADD:0235919,-17.94,S(=O)(=O)(N(CC)CC)c1c(Cl)ccc(c1)C(=O)Nc(cc2)ccc2OC,0.0
81904,CO-ADD:0223312,-17.97,[N+](=O)([O-])c1ccc(cc1)Oc(cc2)ccc2c3ccccc3,0.0
81905,CO-ADD:0232578,-17.97,C1(\N=C\c2cc(ccc2N(CC3)CCO3)[N+](=O)[O-])=C(C)N(N(c4ccccc4)C1=O)C,0.0
81906,CO-ADD:0235351,-17.98,c1(nonc1N)\C(=N\OCc(cc2)ccc2Cl)\Nc(cc3)ccc3C,0.0
81907,CO-ADD:0232466,-17.99,C(=O)(Oc1cccc(c1)\C=N\NC(=O)c(ccc(c23)OCCO2)c3)c4cccc(F)c4,0.0
81908,CO-ADD:0232448,-18.0,C(COc(ccc(c1C)C)c1)(=O)N\N=C\C=C\c2ccco2,0.0
81909,CO-ADD:0232483,-18.0,n1c2c(oc1c3cccc(c3)\N=C\c(ccc(c4[N+](=O)[O-])Br)c4)cccc2C,0.0
81910,CO-ADD:0232358,-18.0,c1(NC(=O)c2ccc(cc2)C)sc(c(C)c1C#N)C,0.0
81911,CO-ADD:0235375,-18.01,c1(Nc(cc2)ccc2OC)nc(N\N=C\c(ccc3c4ccc(cc4Cl)Cl)o3)nc(NCc5ccco5)n1,0.0
81912,CO-ADD:0300429,-18.02,N1(c2ccc(cc2)Cl)C(=O)C(N(CCN(CC3)CCO3)C1=S)CC(=O)Nc(cc4)ccc4OC,0.0
81913,CO-ADD:0300423,-18.03,N1(CCSC1c2c(F)cc(cc2F)F)C(NCCc3ccccc3)=S,0.0
81914,CO-ADD:0305262,-18.03,N(Cc1ccccc1)(C(C)(C)C(=O)Nc2ccccc2)C(=O)C(C)Oc3c(Cl)cc(c(Cl)c3)Cl,0.0
81915,CO-ADD:0301117,-18.03,N1(c2ccc(c(Cl)c2)N3CCCCC3)C(N(N=C1C(C)=O)c4ccc(cc4)Cl)c5c6c([nH]c5)cccc6,0.0
81916,CO-ADD:0292450,-18.04,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(\C5=O)=C(\c6c(N7C)cccc6)/C7=O)N35)N(C(=O)N1C)C,0.0
81917,CO-ADD:0293108,-18.05,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c5ccc(cc5)OCC)cccc4,0.0
81918,CO-ADD:0295549,-18.05,[N+](=O)([O-])c(cccc1C2NCCc(cc(c(OC)c3)OC)c23)c1.Cl,0.0
81919,CO-ADD:0295740,-18.06,C(C(OC)=O)(C(=O)NC(=C1C(OC)=O)C)=C1,0.0
81920,CO-ADD:0295721,-18.06,c1(NC(=S)NC(=O)c2ccc(cc2Cl)Cl)sc(c(CC)c1C#N)C,0.0
81921,CO-ADD:0294537,-18.07,C(c1ccccc1)(=O)Nc2ccccc2C(CC)=O,0.0
81922,CO-ADD:0293085,-18.08,N(CC1)(CCN1c2ccc(cc2F)C(CC)=O)C(OCC)=O,0.0
81923,CO-ADD:0295527,-18.08,c1(ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N(CC2)CCO2,0.0
81924,CO-ADD:0294934,-18.08,n1c2c(oc1c3ccc(cc3)NC(=O)c4cccc(OCCCC)c4)ccc(Cl)c2,0.0
81925,CO-ADD:0293941,-18.08,C(/c(cc(OCC)cc1)c12)(\C(=S)C(N2C(=O)c(cc3)ccc3C(C)(C)C)(C)C)=C(\S4)/SC(=C4C(OCC)=O)C(OCC)=O,0.0
81926,CO-ADD:0292495,-18.09,c12c(c3c(OC1=O)cccc3)c4c(CCC(C(C)(C)C)C4)nc2NC(C)=O,0.0
81927,CO-ADD:0294899,-18.09,C(=C/c(ccc(c1[N+](=O)[O-])N2CCc(c3C2)cccc3)c1)(/C4=O)\C(=O)N(C(=O)N4C)C,0.0
81928,CO-ADD:0305207,-18.14,c12c(ccc(c1)[N+](=O)[O-])Oc(c3NC2=O)ccc(C)c3,0.0
81929,CO-ADD:0305290,-18.15,C12(c3c(N(CC(OC)=O)C1=O)cccc3)C(C#N)=C(N)Oc([nH]nc4c5ccc(cc5)C)c24,0.0
81930,CO-ADD:0305075,-18.15,c12c(c(c3s1)c(C)cc(COC)n3)nc(n(c4c(cccc4)n5)c25)CCC,0.0
81931,CO-ADD:0304651,-18.15,N(C(=O)CSc1nc(CCC)cc(O)n1)(c2c3cccc2)c4c(S3)cccc4,0.0
81932,CO-ADD:0295706,-18.15,c1(NC(=O)Nc2cccc(Cl)c2)sc(c3c1C(OC)=O)CCCC3,0.0
81933,CO-ADD:0293894,-18.16,N(Nc1ccccc1)(C2)C(=O)CC2C(=O)NCc(cc3)ccc3Cl,0.0
81934,CO-ADD:0294132,-18.16,N1(c(ccc(c2s3)nc3SCC(=O)c4ccc(cc4Cl)Cl)c2)C(=O)c(c5C1=O)cccc5[N+](=O)[O-],0.0
81935,CO-ADD:0292738,-18.16,N1(C(=O)CCCl)c2c(cccc2)NC(=O)CC1C,0.0
81936,CO-ADD:0293585,-18.18,c1(C(=O)N(CC2)CCN2C)c(C)oc(cc(Br)c(OC)c3)c13.Cl,0.0
81937,CO-ADD:0294618,-18.18,c1(c2cccc(c2C)NC(=O)c(cc3OCC)cc(c3OCC)OCC)oc(c4n1)cccn4,0.0
81938,CO-ADD:0292433,-18.18,n1(c2c(n3)cccc2)c3S\C(=C\c4ccccc4OCC)\C1=O,0.0
81939,CO-ADD:0294813,-18.18,c(C(F)(F)F)(c(F)c1F)c(F)c(c1N(CC2)CCN2)F,0.0
81940,CO-ADD:0292501,-18.18,n1(c(ccc(c2C)C)c2n3)c3S\C(=C/c(cc(Cl)cc4Cl)c4OC)\C1=O,0.0
81941,CO-ADD:0293017,-18.2,c1(C(OC)=O)cc2c(cc1NC(=O)c3cccs3)OCO2,0.0
81942,CO-ADD:0292863,-18.22,c1(C(=O)Nc2sc3c(CCC(C(C)(C)C)C3)c2C(OC)=O)c(Cl)c4c(cccc4)s1,0.0
81943,CO-ADD:0295558,-18.24,c1(cn[nH]c1C(=O)NCC(OCC)=O)[N+](=O)[O-],0.0
81944,CO-ADD:0304957,-18.24,C1(=S)NC2(NN1c3ccc(cc3)Cl)CCC(CC2)CC,0.0
81945,CO-ADD:0300979,-18.26,[N+](=O)([O-])c1ccccc1C(NCCOc(cc2)ccc2C)=O,0.0
81946,CO-ADD:0300987,-18.27,C(=O)(NC(C)c1ccccc1)c2ccccc2OCC(=O)NC(CC(CC34)CC5C3)(C4)C5,0.0
81947,CO-ADD:0305140,-18.28,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c(ccc(c4[N+](=O)[O-])OC)c4,0.0
81948,CO-ADD:0304647,-18.28,n1(c2ccccc2SC)c(CCC(O)=O)ccc1c3ccccc3,0.0
81949,CO-ADD:0305271,-18.28,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(cc4)OC)c5cccc(OC)c5,0.0
81950,CO-ADD:0300927,-18.29,C(=N/O)(/C#N)\C(\Cl)=N/O,0.0
81951,CO-ADD:0294577,-18.3,c1(c2c(sc1NC(Cc3ccccc3)=O)CCCC2)C(=O)Nc(cc4)ccc4OC,0.0
81952,CO-ADD:0294556,-18.3,C1(C(=O)\C=C\c(cc2OC)cc(c2OC)OC)=C(c3ccccc3)c4c(ccc(c4)[N+](=O)[O-])NC1=O,0.0
81953,CO-ADD:0293106,-18.31,N1(CC(CC1=O)C(O)=O)c2cccc(Cl)c2Cl,0.0
81954,CO-ADD:0292902,-18.32,c1(nc(c2ccco2)cc3C(F)(F)F)n3nc(C(=O)NCc(cc4)ccc4Cl)c1Cl,0.0
81955,CO-ADD:0294128,-18.32,C(/C#N)(\c1cccc(cccc2)c12)=C/c(ccc3c4ccc(cc4)Cl)o3,0.0
81956,CO-ADD:0294852,-18.33,c1(Nc2ccc(cc2Br)C)nc(C)cc(C)n1,0.0
81957,CO-ADD:0295513,-18.34,C(=C\NCC(OCC)=O)(/C#N)\C#N,0.0
81958,CO-ADD:0294009,-18.35,n1c(c2ccccc2)noc1c3ccco3,0.0
81959,CO-ADD:0293094,-18.35,c1(c2c(sc1NC(=O)c3ccccc3F)CCC2)C(=O)N(CC4)CCN4Cc5ccccc5,0.0
81960,CO-ADD:0294932,-18.35,c1(ccc(cc1N(CC2)CCO2)N(CC3)CCN3C)[N+](=O)[O-],0.0
81961,CO-ADD:0292614,-18.36,N1(C(=O)c2c(c3C1=O)c(ccc2)ccc3)c4c(C)nn(c(cc5)ccc5[N+](=O)[O-])c4C,0.0
81962,CO-ADD:0293001,-18.36,C(=O)(Oc(ccc(c1C)C)c1)NC(CC2)CCC2CC(CC3)CCC3NC(=O)Oc(ccc(c4C)C)c4,0.0
81963,CO-ADD:0301027,-18.36,c1(C(=O)Nc2ccccc2OC)c(C)c(sc1NS(=O)(=O)c3ccc(cc3)NC(C)=O)c4ccccc4,0.0
81964,CO-ADD:0300659,-18.37,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5cccc(F)c5)cccc4,0.0
81965,CO-ADD:0300988,-18.39,S(=O)(=O)(c1ccc(c2c1)cccc2)N3CCCC3C(NCCSc4ccccc4)=O,0.0
81966,CO-ADD:0301140,-18.39,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c5ccc(c(OC)c5OC)OC)cccc4,0.0
81967,CO-ADD:0300485,-18.39,[N+](=O)([O-])c1c(SCC)ccc(c1)C(=O)Nc2ccc(cn2)Br,0.0
81968,CO-ADD:0300933,-18.39,C1(C2)(CC(CC=C1Oc3ccccc3)(CN2C)[N+](=O)[O-])[N+](=O)[O-],0.0
81969,CO-ADD:0292702,-18.41,N1c(cc2)c(cc2C(=O)N3CCCCCC3)C4C(CC=C4)C1c5ccccc5,0.0
81970,CO-ADD:0294113,-18.42,N(C(=O)C(S1)Cc2cccc(C)c2)=C1N(CC3)CCN3c4ccccc4,0.0
81971,CO-ADD:0292351,-18.44,N1(c2ccc(cc2)OC)CC(CC1=O)C(NCCCOC(C)C)=O,0.0
81972,CO-ADD:0293295,-18.44,C1(C2c3ccc(cc3)CC)=C(CCCC1=O)c4c(ccc5c4cccn5)N2,0.0
81973,CO-ADD:0295510,-18.45,C12(CC(NC1=O)(O)CC(CCC)C2(C#N)C#N)C#N,0.0
81974,CO-ADD:0294431,-18.46,c1(nc(c2ccc(cc2)C)cc3C(F)(F)F)n3ncc1C(=O)OC(C)C,0.0
81975,CO-ADD:0294517,-18.46,N1(C(=O)c2c(C(c3ccc(cc3)CC)=N1)cccc2)c4cc(ccc4[N+](=O)[O-])N(CC5)CCO5,0.0
81976,CO-ADD:0293997,-18.46,n1(C)c(S)nnc1Cc(cc2)ccc2Cl,0.0
81977,CO-ADD:0293964,-18.47,C1(OC(c2ccccc2)c3ccccc3)=C(S(C)(=O)=O)C(N(c4ccc(cc4)I)C1=O)c5ccccc5,0.0
81978,CO-ADD:0293137,-18.48,N1(c2ccc(c(Cl)c2)C)C(=O)C(C(C1=O)C34CC)C(c(c35)cccc5)c(c46)cccc6,0.0
81979,CO-ADD:0293118,-18.49,[C@]123[C@](c4c(cccc4)C1=O)(OC(C)=C2C(OCC)=O)OC(N)=C3C#N,0.0
81980,CO-ADD:0294723,-18.5,c12c(nnc(SCC(=O)Nc3sc(c4n3)cccc4)n1)c(c5n2C(C)C)cccc5,0.0
81981,CO-ADD:0300653,-18.51,C1(C(=O)OCc2ccccc2)=C(C)NC(=C3C1c4ccc(C)o4)CCCC3=O,0.0
81982,CO-ADD:0300542,-18.52,C12=C(CC(C)(C)CC1=O)Nc(c3NC2c4cc(Br)ccc4F)cc(c(C)c3)C,0.0
81983,CO-ADD:0300287,-18.54,N1(c2cccc(OC)c2)C(=O)\C(=C\c3ccc(c(cccc4)c34)OC)\C(NC1=S)=O,0.0
81984,CO-ADD:0301135,-18.54,c12c(non1)nc(NCc3ccco3)c(Nc(cc4)ccc4I)n2,0.0
81985,CO-ADD:0301167,-18.54,c1(Sc2cc(C#N)c(cc2N(CC3)CCO3)C#N)sc(c4n1)cccc4,0.0
81986,CO-ADD:0294695,-18.54,C1(C(CC=C2)C2c3c(ccc(c3)OC(F)(F)F)N1)c4ccc(cc4Cl)Cl,0.0
81987,CO-ADD:0294833,-18.55,c1(c(ccc(c1)[N+](=O)[O-])N\N=C(\C(O)=O)/CC(=O)c2ccc(cc2)Cl)[N+](=O)[O-],0.0
81988,CO-ADD:0292277,-18.56,N1(c2ccccc2)C(=O)\C(\SC1=O)=C\c(ccc(c3OCC)OCC=C)c3,0.0
81989,CO-ADD:0293285,-18.59,c1(c2c([nH]c1C)cccc2)C(c3c(Cl)ccc(c3)[N+](=O)[O-])c4c5c([nH]c4C)cccc5,0.0
81990,CO-ADD:0292374,-18.59,N1(CN2CCCCC2)c(cccc3)c3\C(=N\c(ccc(c4Cl)F)c4)\C1=O,0.0
81991,CO-ADD:0294750,-18.6,N1(c2cccc(c2)C(O)=O)C(\C=C\c(ccc(c34)OCO3)c4)=Nc(c5C1=O)cccc5,0.0
81992,CO-ADD:0295055,-18.6,c1(c[nH]nc1c2ccccc2)c(c3)nc(c4c3C(O)=O)ccc(cccc5)c45,0.0
81993,CO-ADD:0293322,-18.6,c1(c(N)ccc(C)c1Br)C(O)=O,0.0
81994,CO-ADD:0293308,-18.62,n1(c2ccccc2)nc(c3n1)ccc(NC(=O)C(F)(F)F)c3,0.0
81995,CO-ADD:0292874,-18.63,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)Cl)cc(C(=O)Nc(cccc4C(C)=O)c4)n2,0.0
81996,CO-ADD:0294858,-18.64,C(C)(C)(C(=O)OC(C1(C)C)c2ccc(cc2)OC)C1=O,0.0
81997,CO-ADD:0293509,-18.65,C(C(C)(O)CC(C1C(=O)OC(C)(C)C)=O)(C(=O)OC(C)(C)C)C1c2cccc(F)c2,0.0
81998,CO-ADD:0293974,-18.65,C1(c2ccccc2)=C(c3ccccc3)OC(c4ccc(cc4)Br)OC1=O,0.0
81999,CO-ADD:0295357,-18.65,c(c1C(C)C)(C2c3cccs3)c([nH]n1)OC(N)=C2C#N,0.0
82000,CO-ADD:0294832,-18.65,C(=C/C(=O)C(C)(C)C)(/Nc(cc1)c(O2)cc1[N+](=O)[O-])\C2=O,0.0
82001,CO-ADD:0293485,-18.67,c1(c2c(sc1N)CCCCC2)C(=O)Nc3ccccc3C,0.0
82002,CO-ADD:0293510,-18.68,N1(Cc(ccc(c23)OCO2)c3)\C(=N/c(cc4)ccc4Cl)\SC(C(O)=O)CC1=O,0.0
82003,CO-ADD:0300896,-18.68,S(=O)(=O)(c1ccc(cc1)C)N(CC2)CCN2c3ccc(cc3C(F)(F)F)[N+](=O)[O-],0.0
82004,CO-ADD:0300408,-18.68,[C@@]1(C)(CC2)C(CC[C@@H]1OC(CCC(O)=O)=O)C(C23)CCC(CCCC4)[C@@]34C,0.0
82005,CO-ADD:0304744,-18.69,n1(CNc2c(C)non2)c(C)cc(C)n1,0.0
82006,CO-ADD:0300571,-18.69,c(C(=O)c(cc1)ccc1c2ccccc2)(sc(c34)nc(cc3C(F)(F)F)c5ccccc5)c4N,0.0
82007,CO-ADD:0304572,-18.7,C(=C\c(ccc(c1Cl)Cl)c1)/C(=O)c(ccc(c23)OCO2)c3,0.0
82008,CO-ADD:0295237,-18.72,C(C(C)=O)(=C(O)C(N1Cc2ccco2)=O)C1c3cc(OC)ccc3OC,0.0
82009,CO-ADD:0295222,-18.72,n1(c2ccccc2F)nnnc1SCC(=O)N3c4c(C(CN(C)CC5)C35)cc(C)cc4,0.0
82010,CO-ADD:0296158,-18.72,C(=O)(N\N=C\c(cc1)ccc1N(C)C)c2ccc(cc2)Br,0.0
82011,CO-ADD:0295148,-18.72,N1C(=O)C=C(N=C1SCC(=O)Nc(cccc2C(F)(F)F)c2)C,0.0
82012,CO-ADD:0295849,-18.72,c1(N(c2ccccc2)c3ccccc3)nc(Cl)nc(N(CC4)CCN4c5nc(Nc(cc6)ccc6OC)nc(Nc(cc7)ccc7OC)n5)n1,0.0
82013,CO-ADD:0293910,-18.73,C(C(C)=O)(=C(O)C(N1)=O)C1c(cc2)ccc2[N+](=O)[O-],0.0
82014,CO-ADD:0295886,-18.73,c(OC(C(F)(F)F)C(F)(F)F)(nc(NCc1ccccc1)nc2OC(C(F)(F)F)C(F)(F)F)n2,0.0
82015,CO-ADD:0295316,-18.74,N1(c2c(C)cc(cc2C)C)C(=O)\C(=C\Nc3cccc(C)c3)\C(NC1=O)=O,0.0
82016,CO-ADD:0293586,-18.75,c1(cc2c(ccc(OCc3ccccc3)c2)[nH]1)C(=O)N(CC4)CCN4c5ccccc5C,0.0
82017,CO-ADD:0293577,-18.78,C(=N/NC(=O)\C(=C/c(ccc(c1OC)OC)c1)\NC(c2ccccc2)=O)(/c3c(N4CC(O)=O)cccc3)\C4=O,0.0
82018,CO-ADD:0294109,-18.79,N1(C(=O)CSc2nnc[nH]2)C(C)(C)CC(c(cc(C)cc3)c13)(C)c4ccccc4,0.0
82019,CO-ADD:0305005,-18.81,c1(N(CC2)CCO2)nc(CSc3nc(c4cccs4)cc(C(F)(F)F)c3C#N)nc(N)n1,0.0
82020,CO-ADD:0305013,-18.84,c1(C2c(cc3OCC)cc(c3OC(=O)c4cccs4)Br)c([nH]nc1c5ccc(cc5Cl)Cl)OC(N)=C2C#N,0.0
82021,CO-ADD:0292639,-18.85,N1=C(c2ccccc2)CC(=O)N1c3ccccc3,0.0
82022,CO-ADD:0292626,-18.85,N1(c2ccc(cc2)Cl)C(=O)\C(\C(C)=N1)=C/NC(C3)(CN(CN34)CN5C4)C5,0.0
82023,CO-ADD:0293014,-18.85,c1(C2CCCCC2)nc(c3n1CCC(O)=O)cccc3,0.0
82024,CO-ADD:0292570,-18.85,C1(OCC(CO1)(C)c2ccccc2)(c3c(N4CN(CC5)CCO5)cccc3)C4=O,0.0
82025,CO-ADD:0292914,-18.86,n12c(nc(cc1C(F)(F)F)c3ccc(cc3)C)cc(C(=O)NC(C)CC)n2,0.0
82026,CO-ADD:0296072,-18.87,C12=C(CC(c3ccc(cc3)OC)CC1=O)Nc(c4NC2c(cc(OCC)c(c5[N+](=O)[O-])O)c5)cccc4,0.0
82027,CO-ADD:0295770,-18.87,c([N+](=O)[O-])(c(C)nn1CC(=O)Nc2sc3c(CCC(C(C)(C)C)C3)c2C(OCC)=O)c1C,0.0
82028,CO-ADD:0295742,-18.88,c1(C(OCC)=O)c(C)c(c(C)[nH]1)CC(C)C,0.0
82029,CO-ADD:0295700,-18.89,c1(NC(=O)C(C)Oc(ccc(c2C)Cl)c2)sc(c(C)c1C(N)=O)C,0.0
82030,CO-ADD:0293940,-18.9,C1(=C2O)C(c(c23)cccc3)=Nc4c(cccc4)SC1c5ccc(c(OC)c5)OC,0.0
82031,CO-ADD:0293875,-18.91,c1(ccc(CNC(CCl)=O)o1)C(OC)=O,0.0
82032,CO-ADD:0293804,-18.91,n1(Cc2ccccc2)c(c3ccccc3)nnc1Sc4ncnc5c4SC(N5c6ccccc6)=S,0.0
82033,CO-ADD:0305072,-18.92,c12c(NC(Cn(c3c(cccc3)n4)c14)=O)c(c5s2)c(COC)cc(C)n5,0.0
82034,CO-ADD:0304432,-18.92,c1(N(C)C2=O)c(n(cn1)Cc3ccccc3)C(N2Cc4cccc(F)c4)=O,0.0
82035,CO-ADD:0301023,-18.93,N1(\N=C\c(ccc(c2OC)OCCCCC)c2)C(C)=Nc(c3C1=O)cccc3,0.0
82036,CO-ADD:0294259,-18.94,c1(c2c(sc1NC(COc(cccc3C(F)(F)F)c3)=O)CCCC2)C(=O)OC(C)C,0.0
82037,CO-ADD:0295307,-18.95,N1(c2ccccc2F)C(=O)\C(=C\NCCC3=CCCCC3)\C(NC1=O)=O,0.0
82038,CO-ADD:0294946,-18.95,C(=C\c1ccccc1OCc2ccccc2)(/C(=O)NN3c4ccccc4)\C3=O,0.0
82039,CO-ADD:0295432,-18.95,c1(SCC(=O)NNC(Cc(cc2)ccc2Cl)=O)nccn1C,0.0
82040,CO-ADD:0295540,-18.95,C1(Cc2ccccc2O)N3CCC(CC3)C1=O,0.0
82041,CO-ADD:0293070,-18.97,C(=N/c(cc1)ccc1OC)(/SC(C(=O)N(CC2)CCN2c3ccccn3)CC4=O)\N4C,0.0
82042,CO-ADD:0295568,-18.98,c1(C(=O)Nc(cc2)ccc2OC)nnn(Cc3ccccc3)c1N,0.0
82043,CO-ADD:0295561,-18.99,n(c1ccccc1)(n2)nc(c23)c(O)ncn3,0.0
82044,CO-ADD:0295270,-18.99,N1(CC(S2)C)C2=Nc(cccc3)c3C1=O,0.0
82045,CO-ADD:0296049,-19.0,n12c(S\C(=C\c3cccc(OC)c3OC)\C1=O)nc(cc(C)c(C)c4)c24,0.0
82046,CO-ADD:0296026,-19.0,C(=O)(NNc1cccc(Cl)c1)C(O)(c2ccc(cc2)OC)c3ccc(cc3)OC,0.0
82047,CO-ADD:0292333,-19.01,N1(CN(CC2)CCN2CN3C(=O)C4C(C5CC4C=C5)C3=O)C(=O)C6C(C7CC6C=C7)C1=O,0.0
82048,CO-ADD:0300811,-19.02,C12=C(CC(c3ccccc3)CC1=O)Nc(c4NC2c(cc5OC)cc(c5O)Br)cccc4,0.0
82049,CO-ADD:0305126,-19.02,C1(O)(CC2CC1C(C2(C)C)C)C#Cc3ccccc3,0.0
82050,CO-ADD:0300780,-19.03,c1(csc(CCCC2)c12)C(=O)Nc(cc3)ccc3Cl,0.0
82051,CO-ADD:0300628,-19.03,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc5OC)cc(c5O)Cl)cccc4,0.0
82052,CO-ADD:0304498,-19.04,c1(noc(c2ccccc2[N+](=O)[O-])n1)c3nonc3N,0.0
82053,CO-ADD:0304954,-19.04,N1(c(ccc(c2s3)nc3SCC(=O)Nc4cccc(Cl)c4C)c2)C(=O)c(c5C1=O)cccc5,0.0
82054,CO-ADD:0301024,-19.05,N(C(C)(C)C1)C(C)(C)CC1(O)C#CC#CC(O)(CC2(C)C)CC(N2)(C)C,0.0
82055,CO-ADD:0300945,-19.06,c1(sc(c2n1)cccc2)NC(=O)C(CC(N3Cc(cc4)ccc4C(C)C)=O)C3,0.0
82057,CO-ADD:0294980,-19.06,C(C(c1ccccc1)=O)(C2c3cc(OC)ccc3OC)=C(O)C(N2c(cccn4)c4)=O,0.0
82058,CO-ADD:0295367,-19.09,c1(C2c3cccc(c3)OC(=O)c4ccco4)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
82059,CO-ADD:0292687,-19.1,N1(CCO)C2C(NC1=O)NC(=S)N2,0.0
82060,CO-ADD:0294106,-19.1,C1(=C2O)C(c(c23)cccc3)=Nc4c(cccc4)SC1c5cccs5,0.0
82061,CO-ADD:0294893,-19.1,C(F)(F)(F)c(cc(C)nc1SCC(=O)Nc2ccc(c(OC)c2)OC)n1,0.0
82062,CO-ADD:0294885,-19.11,C1(C2)(CC(CC(OC)=C1)(CN2CC(O)=O)[N+](=O)[O-])[N+](=O)[O-],0.0
82063,CO-ADD:0295818,-19.12,N1(c(ccc(c2C(F)(F)F)Cl)c2)C(=O)C(CC1=O)SCC(=O)Nc(ccc(c34)cccc3)c4,0.0
82064,CO-ADD:0295372,-19.12,c12c(CCCC1C(=O)NC(c3ccccc3)c4ccccc4)c5c(ccc(Br)c5)[nH]2,0.0
82065,CO-ADD:0295859,-19.13,c1(C2c3cc(OC)c(cc3OC)OC)c([nH]nc1c(cc4)ccc4[N+](=O)[O-])OC(N)=C2C#N,0.0
82066,CO-ADD:0296173,-19.13,N1(C(C)=CC(NC1=S)(C)C)NC(=O)c2cc(Cl)ccc2OC,0.0
82067,CO-ADD:0294848,-19.13,[n+]1([O-])onc2c1ccc(c2)Cl,0.0
82068,CO-ADD:0295918,-19.14,c(c1c2ccccc2)(C3c4cc(Br)ccc4F)c([nH]n1)OC(N)=C3C#N,0.0
82069,CO-ADD:0305067,-19.15,c12c(c(c3s1)c(COC)cc(C)n3)nc(n(c4c(cccc4)n5)c25)CCC,0.0
82070,CO-ADD:0304555,-19.16,S(=O)(=O)(c1ccccc1Cl)NC(=O)C(=C2)C(=O)N(N2c3ccccc3)C,0.0
82071,CO-ADD:0305275,-19.2,c12c(n(c(N\N=C\c3cc(Br)ccc3O)n1)CCO)C(N(C)C(=O)N2C)=O,0.0
82072,CO-ADD:0305167,-19.21,C(C(=O)OCc1ccccc1)(C2c3ccc(cc3)OC(C)=O)=C(C)NC(CC(C)(C)CC4=O)=C24,0.0
82073,CO-ADD:0300797,-19.21,c1(NC(CCc2ccccc2)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3OC,0.0
82074,CO-ADD:0300491,-19.22,N1(c2ccc(cc2)OC)CC(CC1=O)C(NCC)=O,0.0
82075,CO-ADD:0300650,-19.22,c1(NC(COc2ccc(cc2Cl)Cl)=O)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3C(OCC)=O,0.0
82076,CO-ADD:0304761,-19.22,c1(n(CC=C)c2c(cccc2)n1)c3nonc3NC(=O)c4ccccc4Cl,0.0
82077,CO-ADD:0295739,-19.22,n1(c(cc2)c(C)cc2[N+](=O)[O-])c(C)c(nn1)C(C)=O,0.0
82078,CO-ADD:0296091,-19.23,C(=O)(Nc1c(Cl)cc(c(Cl)c1)Cl)c2cccnc2Oc(cc3)ccc3Cl,0.0
82079,CO-ADD:0295640,-19.24,N1(c2ccc(cc2)C)C(=O)NC(\C(=C/c(cc(n3c(cc4)ccc4N(C)C)C)c3C)\C1=O)=O,0.0
82080,CO-ADD:0295843,-19.25,c1(c2c(sc1NC(=O)C(F)(F)F)CCCCC2)C(=O)Nc3ccccc3OCC,0.0
82081,CO-ADD:0293397,-19.25,C1(N2)=C(C(C3=C2c4c(C3=O)cccc4)c5ccc(c(Cl)c5)C)C(NC(=O)N1C)=O,0.0
82082,CO-ADD:0292935,-19.26,n1(c(cc2)ccc2C(O)=O)cnnn1,0.0
82083,CO-ADD:0295895,-19.26,C(C#N)(=C(N)OC(=C12)CC(CC1=O)(C)C)C2c3ccc(c(OC)c3OC)OC,0.0
82084,CO-ADD:0292489,-19.26,N1(CN2CCCCC2)c(cccc3)c3\C(=N\c4cc(Cl)cc(Cl)c4)\C1=O,0.0
82085,CO-ADD:0292679,-19.27,c12c(n(c(SCc3c(C)ccc(cccc4)c34)n1)CC)C(N(C)C(=O)N2C)=O,0.0
82086,CO-ADD:0293507,-19.27,C(C(c1ccccc1)=O)(C2c3cccc(F)c3)=C(O)C(N2c4cccc(C)c4)=O,0.0
82087,CO-ADD:0293824,-19.27,n1(c2c(n3)cccc2)c3S\C(=C/c(cn(n4)Cc(ccc(c5Cl)Cl)c5)c4c6ccccc6)\C1=O,0.0
82088,CO-ADD:0293022,-19.3,c1(C(=O)N(C)C(N2C)=O)c2nc3n1cc(n3c4ccc(c5c4)OCO5)c6ccccc6,0.0
82089,CO-ADD:0300805,-19.3,C1(C(=O)OC(C)C)=C(C)NC(=O)CC1c2ccc(c(Br)c2)F,0.0
82090,CO-ADD:0300614,-19.31,C(C(OCCOc1ccccc1)=O)(C2c(cc3)ccc3C(C)C)=C(C)NC(CCCC4=O)=C24,0.0
82091,CO-ADD:0300646,-19.32,C1(C(OCCc2ccccc2)=O)=C(C)NC(=C3C1c4ccc(C)s4)CCCC3=O,0.0
82092,CO-ADD:0300775,-19.33,c1(S)nc(c2n1Cc(cc3)ccc3OC)cccc2,0.0
82093,CO-ADD:0304512,-19.34,N1(CCc(c(cccc2)c2n3C)c3C)C(=C)C4(OC1=O)CCCCC4,0.0
82094,CO-ADD:0295674,-19.34,n12c(c3c(cccc3)CC14CCCC4)cc(nc(cccc5)c5n6)c26,0.0
82095,CO-ADD:0295665,-19.35,c1(scc(C)c1C#N)NC(=O)c2ccco2,0.0
82096,CO-ADD:0293678,-19.35,[nH](c(ccc(c1)Br)c1c2CCN)c2C.Cl,0.0
82097,CO-ADD:0295475,-19.37,C1(C(OCCSCC)=O)=C(C)NC(=C2C1c(ccc3c4c(cccc5)c5n3CC)c4)CCCC2=O,0.0
82098,CO-ADD:0295030,-19.37,C1(=C(CC(C)(C)CC1=O)OC(=C23)CC(CC2=O)(C)C)C3c4cccc(c4)OC(=O)c5ccccc5F,0.0
82099,CO-ADD:0295483,-19.37,N(CCO)(CCO)Cc(cc1)ccc1CN(CCO)CCO,0.0
82100,CO-ADD:0295169,-19.38,c1(OC(N)=C(C2c3c[nH]nc3c4ccc(cc4)F)C#N)c2c(n[nH]1)C,0.0
82101,CO-ADD:0292558,-19.41,n1(\N=C\c(ccc(c2)N(CC)CC)c2O)nnnc1N,0.0
82102,CO-ADD:0292922,-19.43,C(CCCCSCCCCCCCC)(O)=O,0.0
82103,CO-ADD:0293198,-19.47,c(c(C)nc1NC(c2ccccc2)=O)(s1)c3csc(Nc4cccc(Cl)c4)n3.Br,0.0
82104,CO-ADD:0292339,-19.47,c1(S(CCCC)(=O)=O)c(N)c2c(nc(cc2C(F)(F)F)c3cccs3)s1,0.0
82105,CO-ADD:0294525,-19.47,S(=O)(=O)(c(ccc(c1[N+](=O)[O-])[N+](=O)[O-])c1)Oc2ccc(cc2OC)C=O,0.0
82106,CO-ADD:0305009,-19.5,S(=O)(=O)(c1ccc(c(C)c1)Cl)N(CC2)CCN2C(c3ccccc3)c4ccccc4,0.0
82107,CO-ADD:0304521,-19.52,C(=C(C)NC(=C1C#N)SCCC)(C(=O)Nc2ccccc2OC)C1c3ccc(C)o3,0.0
82108,CO-ADD:0304434,-19.54,c1(nc(c2n1CC(=O)N\N=C/c3ccccc3OCCC)cccc2)c4nonc4N,0.0
82109,CO-ADD:0304453,-19.55,c1(cn(c(C)n1)CC(=O)NCc2ccccc2)[N+](=O)[O-],0.0
82110,CO-ADD:0304455,-19.55,c1(cn(c(C)n1)CC(=O)NCc(cc2)ccc2OC)[N+](=O)[O-],0.0
82111,CO-ADD:0295763,-19.58,C1(c2ccccc2)(OC(CC)=O)CCN(CC1C)C.Cl,0.0
82112,CO-ADD:0295745,-19.6,N12C(S\C(=C\c(cc3)ccc3N(C)C)\C1=O)=NC(c4ccc(c(OC)c4)O)C(C(OCC)=O)=C2C,0.0
82113,CO-ADD:0294572,-19.6,N(CC1C)(CC(N1)C)c(cc2)c3c(c2[N+](=O)[O-])cccn3,0.0
82114,CO-ADD:0294565,-19.61,N1(C(c2ccc(cc2)Br)CC(c3ccc(cc3)Br)=N1)C(=O)c4ccccc4Cl,0.0
82115,CO-ADD:0296102,-19.62,c1(nonc1N)C(=O)N(CC2)CCN2c(cc3)ccc3[N+](=O)[O-],0.0
82116,CO-ADD:0295637,-19.62,C12(c3c(NC1=O)ccc(Cl)c3)C(C#N)=C(N)Oc4c2c(CCC)n[nH]4,0.0
82117,CO-ADD:0295370,-19.62,N(c1c(C23C4=C(CCCC4=O)OC(N)=C2C#N)cccc1)(C(=O)c5ccccc5Cl)C3=O,0.0
82118,CO-ADD:0295323,-19.62,N1(C(C)(C)C)C(=O)NC(\C(=C/c(c2c([nH]3)cccc2)c3)\C1=O)=O,0.0
82119,CO-ADD:0293186,-19.62,n12c(S\C(=C/c3cccc(c3)OCc4c(cccc4Cl)F)\C1=O)nc(cc(C)c(C)c5)c25,0.0
82120,CO-ADD:0295285,-19.64,C12(CCC(CC1)CC)Sc(c3N2)cccc3,0.0
82121,CO-ADD:0293963,-19.64,C(=S)(c1ccc(cc1)Br)N2CCCC2,0.0
82122,CO-ADD:0294493,-19.65,C(/Br)(=C/c1ccccc1)\C(OC2)OCC2(CO3)COC3\C(\Br)=C/c4ccccc4,0.0
82123,CO-ADD:0304577,-19.66,n1(C)c(SCC(=O)c2ccc(cc2)Br)nnc1c3ccco3,0.0
82124,CO-ADD:0300964,-19.68,[nH](c(cccc1)c1c2CCC(=O)NC3CC3)c2,0.0
82125,CO-ADD:0300973,-19.68,c1(n2)c(ccc(CBr)c1)ns2,0.0
82126,CO-ADD:0292734,-19.68,N(CCC(N1)=O)(C(CC)=O)c2c1cccc2,0.0
82127,CO-ADD:0293589,-19.68,N(CC1)(CCN1c2ccccc2)C(=O)CN3CCCCC3,0.0
82128,CO-ADD:0293378,-19.69,N1(c2ccc(cc2)OC(F)(F)F)C(=O)CC(N(CC3)CCN3Cc(ccc(c45)OCO4)c5)C1=O,0.0
82129,CO-ADD:0295089,-19.69,N1(c2ccc(c3c2)OCO3)C(=O)c(c4C1(O)Cc5ccccc5)cccc4,0.0
82130,CO-ADD:0296145,-19.7,N1(Cc2ccccc2)Sc3c(ccc(c3)[N+](=O)[O-])C1=O,0.0
82131,CO-ADD:0295445,-19.71,C1(C(OCCCc2ccccc2)=O)=C(C)NC(=O)CC1c3ccc(c(Br)c3)F,0.0
82132,CO-ADD:0293318,-19.71,N1(CC(O)=O)c(cccc2)c2C(=O)C1=O,0.0
82133,CO-ADD:0292361,-19.72,C1(C)(CC1(Cl)Cl)C(=O)n2c3c(nc2)cccc3,0.0
82134,CO-ADD:0295000,-19.72,c1(NC(CSc2nc(c3ccccc3)cc(c4ccccc4)c2C#N)=O)nnc(CC)s1,0.0
82135,CO-ADD:0296004,-19.72,c(C(O)=O)(c1)c2c(nc1c3ccc(cc3F)OC)ccc(cccc4)c24,0.0
82136,CO-ADD:0292692,-19.72,S(C)(=O)(=O)N(CC1)CCN1c2c(cccc2[N+](=O)[O-])Cl,0.0
82137,CO-ADD:0293939,-19.74,C(C(c1ccccc1)=O)(C2c3ccc(cc3OC)OC)=C(O)C(N2c4ccc(cc4)F)=O,0.0
82138,CO-ADD:0305282,-19.75,C1(=Cc2c(OC1=O)cccc2)C(=O)N(CC3)CCN3Cc4ccccc4,0.0
82139,CO-ADD:0305252,-19.76,C12(CC3CC(CC(C3)C1)C2)C(=O)NCC(C)O,0.0
82140,CO-ADD:0305221,-19.78,C(OC1)(OCC1(CO)[N+](=O)[O-])(c2c(N3CN4CCC(CC4)C)cccc2)C3=O,0.0
82141,CO-ADD:0305237,-19.78,c1(N(CC2)CCN2C\C=C/c3ccccc3)scc(c4ccccc4)n1,0.0
82142,CO-ADD:0300989,-19.78,C(=O)(Nc(cc1)ccc1OCC(N)=O)c(cc2OC)cc(c2OC)OC,0.0
82143,CO-ADD:0300356,-19.78,C1(NC(CSc2n[nH]cn2)=O)=C(C)N(N(c3ccccc3)C1=O)C,0.0
82144,CO-ADD:0304711,-19.8,c1(NC(c2ccccc2)=CC3c4cccc(cccc5)c45)n3ncn1,0.0
82145,CO-ADD:0304751,-19.82,n1(c2ccc(c(Cl)c2)C)nnnc1SC,0.0
82146,CO-ADD:0300447,-19.82,N1(c(cc2)ccc2C(OCC)=O)C(=O)C(N(CCc(ccc(c3OC)OC)c3)C1=S)CC(N)=O,0.0
82147,CO-ADD:0292234,-19.82,S1(=O)(=O)c(cccc2)c2C(NCCNC(=O)c3ccc(cc3)OC)=N1,0.0
82148,CO-ADD:0292417,-19.83,N1(c(cc2)ccc2C(OCC)=O)C(c3ccccc3)Nc(c4C1=O)cccc4,0.0
82149,CO-ADD:0292409,-19.84,N(Cc1ccccc1F)(C2=O)C(=O)N(c3c2n(C)cn3)C,0.0
82150,CO-ADD:0295103,-19.85,N1(c2ccccc2)C(c3c(C)cc(c(C(C)C)c3)OC)Nc(c4C1=O)cccc4,0.0
82151,CO-ADD:0294696,-19.85,C(C#N)(C(N)=C(C1(c2ccccc2)C#N)C(CCC)=O)=C1N3CCCCC3,0.0
82152,CO-ADD:0293226,-19.86,n1c(c2ccccc2)[nH]c(c3ccccc3)c1c(ccc(c45)c6c(cccc6)s4)c5,0.0
82153,CO-ADD:0295114,-19.89,C1(=O)N(c2ccc(cc2)C)C(C)=CC(C)=C1C(O)=O,0.0
82154,CO-ADD:0294571,-19.89,c1(NC(=O)CN(CC2)CCN2C)sc(c(CCN3C(OCC)=O)c1C(OCC)=O)C3,0.0
82155,CO-ADD:0295086,-19.92,n1(CCc2ccccc2)c3c(nc1CSc4sc(c5n4)cccc5)cccc3,0.0
82156,CO-ADD:0292406,-19.93,n1(c2ccccc2F)nnnc1SCc([nH]nn3)n3,0.0
82157,CO-ADD:0292460,-19.94,c12c(ccc(OC)c1OC)C(OC2=O)NC(N)=O,0.0
82158,CO-ADD:0292918,-19.94,[N+](=O)([O-])c1ccc(cc1O)Oc(c(Cl)ccc2C(F)(F)F)c2,0.0
82159,CO-ADD:0305097,-19.97,[N+](=O)([O-])c(c1)c[nH]n1,0.0
82160,CO-ADD:0300767,-20.0,c1(c2ccc(cc2Cl)Cl)nnc(SCc3c(C)cc(cc3C)C)n1N,0.0
82161,CO-ADD:0300935,-20.01,c1(C2=O)c(ccc(N(CC)CC)c1)C(NN2)=O,0.0
82162,CO-ADD:0301014,-20.01,c1(OCc(cc2)ccc2C)c(I)cc(cc1I)C=O,0.0
82163,CO-ADD:0300718,-20.02,[N+](=O)([O-])c1ccc(cc1NC2CC2)N3CCCCC3,0.0
82164,CO-ADD:0300326,-20.02,c1(sc(c2n1)cccc2)NC(=O)C(OCC)=O,0.0
82165,CO-ADD:0293204,-20.02,c1(c(C)nc(cc(C)cc2)n12)c3csc(Nc4ccccc4C)n3.Br,0.0
82166,CO-ADD:0292494,-20.02,N1(c2ccc(cc2)Cl)C(=O)CSC13CCC(CC3)C(C)(C)C,0.0
82167,CO-ADD:0292892,-20.05,n1(n2)c(cc2C(=O)N(CC3)CCN3C)nc4c(CCc(cccc5)c45)c1C(F)(F)F,0.0
82168,CO-ADD:0294615,-20.05,n1c2c(oc1c3ccc(cc3)F)ccc(c2)NC(=O)c4ccc(c5ccc(cc5)Cl)o4,0.0
82169,CO-ADD:0294585,-20.06,[N+](=O)([O-])c1ccc(cc1NC(C)C23CC4CC(CC(C4)C2)C3)N5CCCC5,0.0
82170,CO-ADD:0293649,-20.08,c1(C)cc(C)ccc1NN.Cl,0.0
82171,CO-ADD:0293612,-20.09,n1c2c(cccc2)c(cc1Oc(ccc(c3C)Cl)c3)C#N,0.0
82172,CO-ADD:0294482,-20.1,N1(c2ccc(cc2)OC(Cl)(F)F)C(=O)C(CC1=O)S\C(=N/CC)\Nc(cc3Cl)cc(c3O)Cl.CC(=O)O,0.0
82173,CO-ADD:0293026,-20.1,n1(c2c(n3)cccc2)c3S\C(=C/c4cc(Br)cc(Br)c4OCc5ccccc5F)\C1=O,0.0
82174,CO-ADD:0294834,-20.11,C(C(=O)c1ccc(cc1)Cl)(=N2)\C(=N\Nc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])\C(N2c4ccccc4)=O,0.0
82175,CO-ADD:0295135,-20.12,c(c1c(s2)CCCC1)(C(=O)N(C)C(=N3)SCc4ccccc4Br)c23,0.0
82176,CO-ADD:0292641,-20.13,c1(c(N(C)C)oc(c(cccc2[N+](=O)[O-])c2)n1)S(=O)(=O)c3ccc(cc3)C,0.0
82177,CO-ADD:0305146,-20.13,N1(c2ccccc2OC)C(=O)\C(\SC1=N)=C/c(ccc(c3[N+](=O)[O-])Br)c3,0.0
82178,CO-ADD:0300664,-20.14,C12=C(CC(c3ccc(c(OC)c3)OC)CC1=O)Nc(c4NC2c(cc5OC)cc(c5OC)Br)cccc4,0.0
82179,CO-ADD:0300953,-20.16,S(=O)(=O)(c1ccc(cc1)SC)Nc2c(C)cc(cc2C)Br,0.0
82180,CO-ADD:0300490,-20.16,c1(NC(c2ccccc2)C=C3c4ccccc4)n3ncn1,0.0
82181,CO-ADD:0300353,-20.17,c12c(n(c(SCC(=O)Nc3ccccc3C(OC)=O)n1)CC)C(N(C)C(=O)N2C)=O,0.0
82182,CO-ADD:0300616,-20.17,C1(=COc(c2C1=O)ccc(C)c2)C3C4=C(CCCC4=O)NC(C)=C3C(=O)OCc(cc5)ccc5OC,0.0
82183,CO-ADD:0295013,-20.17,[n+]1([O-])onc(C)c1COc2ccc(cc2OC)\C=C(/C#N)\C(N)=O,0.0
82184,CO-ADD:0295420,-20.18,C(C(OCC)=O)(C(F)(F)F)(NC(=O)c1cccc(Cl)c1)Nc2sc(c3c2C(N)=O)CCC3,0.0
82185,CO-ADD:0295823,-20.19,N1(c2ccc(cc2)OCCCCCC)C(=O)CC(N(CC3)CCN3C(=O)c4ccco4)C1=O,0.0
82186,CO-ADD:0294532,-20.21,c1(cc(ccc1N(CC2)CCC2C(OCC)=O)[N+](=O)[O-])C(=O)c3ccc(cc3)Cl,0.0
82187,CO-ADD:0295326,-20.22,N1(c2cccc(OC)c2)C(=O)\C(=C\c3ccc[nH]3)\C(NC1=S)=O,0.0
82188,CO-ADD:0295120,-20.23,c1(Oc2cccc(c2)NC(COc3ccc(cc3Cl)Cl)=O)nc(C)cc(C)c1C#N,0.0
82189,CO-ADD:0293281,-20.23,C12=C(CC(c3ccc(cc3)Cl)CC1=O)Nc(c4NC2c(ccc(c56)OCO5)c6)cccc4,0.0
82190,CO-ADD:0294043,-20.25,c1(scc(c2ccccc2)c1C(OCC)=O)NC(=O)c3cc(Cl)ccc3OC,0.0
82191,CO-ADD:0292310,-20.26,C12(SCC(=O)N1c3ccc(c(Br)c3)C)c4c(NC2=O)cccc4,0.0
82192,CO-ADD:0292363,-20.28,c1(NC(CCCC(=O)OC(C)(C)C#C)=O)sc(c2n1)cccc2,0.0
82193,CO-ADD:0295017,-20.29,c1(OC(N)=C(C2c(cc3OC)cc(c3OC(C)=O)OC)C#N)c2c(n[nH]1)CC,0.0
82194,CO-ADD:0300907,-20.31,S(=O)(=O)(N(CC1)CCO1)c2cc(ccc2N3CCCC3)[N+](=O)[O-],0.0
82195,CO-ADD:0301131,-20.31,c12c(C(N(C)C(=O)N1C)=O)n(c(SCC(O)=O)n2)Cc3ccccc3C,0.0
82196,CO-ADD:0300339,-20.35,C1(=O)c2c(cccc2)OC(CC3)(CCC3C(C)(C)CC)N1,0.0
82197,CO-ADD:0300908,-20.35,[N+](=O)([O-])c1ccc(cc1NCCc(ccc(c2OC)OC)c2)N(CC3)CCN3C(=O)c4ccco4,0.0
82202,CO-ADD:0243320,-20.49,C(C)(C)N1C\C(=C/c(cc2OC)c(OC)c(OCO3)c23)\C(=O)\C(=C\c(c(OC)c4c5OCO4)cc5OC)\C1,0.0
82204,CO-ADD:0243945,-20.49,c1(OC2)c(c(OC)c([nH]nn3)c3c1OC)O2,0.0
82206,CO-ADD:0243709,-20.55,n(c1c(c2c3cc(OCO4)c4c(OC)c3OC)SC(N1CC(=O)OC)=O)c5c2cnn5C(C)C,0.0
82209,CO-ADD:0243424,-20.56,c1(OC)cc(cc2c1OCO2)CC3CC(CNCc4ccc(OC)cc4)=NO3,0.0
82210,CO-ADD:0243784,-20.57,c(c(SCC(=CC1=O)OC(C(c2cc(OCO3)c3c(OC)c2)CC(=O)OC)=C1O)cc4)cc4OC,0.0
82214,CO-ADD:0243334,-20.6,c1c(C(F)(F)F)cc(n(c(c2C3c(cc(OCO4)c45)cc5OC)NC(=O)C3)cn2)cc1,0.0
82215,CO-ADD:0243364,-20.6,c(OC1)(c(OC)c(Br)c2C#N)c(O1)c2OC,0.0
82216,CO-ADD:0243749,-20.61,n(cc1)ccc1CN(C(=O)C(O)=C2C(=O)c3sccc3)C2c4c(OC)c(OC)c(OCO5)c5c4,0.0
82217,CO-ADD:0243645,-20.61,c(C)(cc1C)nc2c1c(N)c(c(onc3Cc(cc(OC)c4c5OCO4)c5OC)n3)s2,0.0
82218,CO-ADD:0243200,-20.62,c(Br)(c1OC)c(CC2CC(C(=O)N\N=C/c(c3F)cccc3)=NO2)c(OC)c(OCO4)c14,0.0
82219,CO-ADD:0243426,-20.62,c1(F)ccc(n(c(c2C3c(c(OC)c(OCO4)c45)cc5OC)NC(=O)C3)cn2)cc1,0.0
82220,CO-ADD:0243187,-20.62,C(CC)c(c1OC)c(C=O)c(OC)c2c1OCO2,0.0
82221,CO-ADD:0243723,-20.62,N(CC1)(CCO1)CCN(C(=O)C(O)=C2C(=O)c3ccc(OC)c(OC)c3)C2c(cc(OC)c4c5OCO4)c5OC,0.0
82222,CO-ADD:0244015,-20.63,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(=O)OCc2ccccc2)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(CCC(=O)OCCc6ccc(OCCO[N+]([O-])=O)cc6)=O,0.0
82223,CO-ADD:0243770,-20.63,N(CC1)(CCO1)CCN(C(=O)C(O)=C2C(=O)c3cc4c(OCCO4)cc3)C2c(cc(OC)c5c6OCO5)c6OC,0.0
82225,CO-ADD:0243078,-20.66,c(\C=C(\C(=O)N)/C#N)(c1OC)c(CCC)c(OC)c(OCO2)c12,0.0
82226,CO-ADD:0243462,-20.68,c(C(C1)c2cc(OC)c3c(OCO3)c2)(n(c4)c5ccc(cc5)F)c(NC1=O)c4C(O)=O,0.0
82228,CO-ADD:0244019,-20.72,C1C[C@](C)(C([C@H](O)CC(\C(=C(\C(OCc2ccccc2)=O)/CC\C=C(/C)\C)\[C@@H](OC(C)=O)C3)[C@]34C)[C@]4(C)CC5)C5[C@H](C)[C@@H]1OC(=O)c6c(C(O)=O)cccc6,0.0
82229,CO-ADD:0243420,-20.73,c(c(OCO1)c1cc2C3C(C)C(C(O)=O)=NO3)(OC)c2OC,0.0
82231,CO-ADD:0243199,-20.74,c(Br)(c1OC)c(CC2CC(C(=O)N\N=C/c(c3)ccc(F)c3)=NO2)c(OC)c(OCO4)c14,0.0
82232,CO-ADD:0240091,-20.77,C=C1[C@]([C@]([H])(C2=CC=CC=C2)NC3=CC=C(Br)C=C3)([H])CC4(COC(C)(C)OC4)C1,0.0
82234,CO-ADD:0243103,-20.79,c(OC)(c1OC)c(CC2CC(C(=O)OCC)=NO2)c(\C=N\NC(=S)N)c(OCO3)c13,0.0
82235,CO-ADD:0243128,-20.79,c(OCO1)(c2OC)c1c(c(\C=N\NC(Cc3ccccc3)=O)c2CC(C)Cl)OC,0.0
82236,CO-ADD:0243048,-20.79,c1(c(Br)c(OC)c(c2c1Br)OCO2)C(ON=C3C(=O)N\N=C\c(cc4OC)cc(c4OC)OC)C3C,0.0
82237,CO-ADD:0243029,-20.82,c1(c(OC)c2c(c(OC)c1Br)OCO2)C(ON=C3C(O)=O)C3C,0.0
82238,CO-ADD:0243886,-20.82,c(cc1)(OC(=O)C(C(c(cc(OCO2)c23)cc3OC)CC(=O)NCc(ccc4)o4)=C5O)c5cc1,0.0
82239,CO-ADD:0243638,-20.84,c(C)(cc1C)nc2c1c(N)c(c(onc3c(cc4OC)c(OC)c5c4OCO5)n3)s2,0.0
82240,CO-ADD:0242998,-20.84,c1(OC)c(OC)c(cc(OCO2)c12)CC(CC(=N3)CNCc(o4)cc(n4)c5ccc(cc5)OC)O3.Cl,0.0
82241,CO-ADD:0243593,-20.85,c(\C=C\[N+](=O)[O-])(c1OC)cc(OCO2)c2c1OC,0.0
82242,CO-ADD:0236957,-20.89,O=C(C(C=CC=C1OC)=C1CC/2)C2=CC3=CC=CC(/C=C4CCC(C(OC)=CC=C5)=C5C4=O)=C3,0.0
82243,CO-ADD:0243054,-20.89,c1(c(Br)c(OC)c(c2c1Br)OCO2)C(ON=C3C(NN)=O)C3C,0.0
82244,CO-ADD:0243020,-20.91,c1(c2OC)c(OCO1)c(cc2CC(CC(=N3)CN4CCCC4)O3)OC,0.0
82245,CO-ADD:0243867,-20.96,C1=C(C)OC(=O)C(C(c(c(OC)c(OCO2)c23)cc3OC)CC(=O)Nc(cc4)cc(OC)c4)=C1O,0.0
82246,CO-ADD:0243115,-20.97,c(OCO1)(c2OC)c1c(c(\C=N\NC(Cc3ccccc3)=O)c2CC(CC(=N4)c5ccc(cc5)F)O4)OC,0.0
82248,CO-ADD:0243785,-21.03,c(c(SCC(=CC1=O)OC(C(c2cc(OCO3)c3c(OC)c2)CC(=O)OC)=C1O)cc4OC)cc4,0.0
82249,CO-ADD:0249348,-21.03,n1(c2ccccc2)c(SCC(=O)NC(C)c3ccccc3)nnc1c4cccc(OC)c4,0.0
82250,CO-ADD:0248930,-21.04,c1(S(CCC)(=O)=O)c(C(=O)N\N=C\c(cccc2[N+](=O)[O-])c2)n3c(c4c(cc3)cccc4)c1S(CCC)(=O)=O,0.0
82251,CO-ADD:0255161,-21.04,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(COC)=O)sc(c3n1)cccc3,0.0
82252,CO-ADD:0247708,-21.07,C(=O)(Nc(cc1)ccc1CC)Nc(cc2)ccc2OCCCCCCCCCC,0.0
82253,CO-ADD:0254496,-21.08,C(CS)(=O)Nc(cc1)ccc1OCCCC,0.0
82254,CO-ADD:0252707,-21.08,c12c(C(NN1c3ccccc3)C)c(cc(c4ccccc4)n2)c5ccc(cc5)Cl,0.0
82255,CO-ADD:0249042,-21.11,C(C(OCC)=O)(C1c2ccc(Br)s2)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4[N+](=O)[O-].[Na+],0.0
82256,CO-ADD:0249034,-21.12,c1(c2ccc(cc2)Cl)ccc(\C=N\c(cc3)ccc3Oc(cc4)ccc4Cl)o1,0.0
82257,CO-ADD:0252515,-21.13,S(=O)(=O)(c1ccc(cc1)\N=C\c2ccccc2OC)Nc3ccccn3,0.0
82258,CO-ADD:0252851,-21.14,n1c(c2ccccc2)cc(\N=C\c3ccccc3OCCCCCCC)n1c4ccccc4,0.0
82259,CO-ADD:0252850,-21.15,C12(CC)C(=O)C(C(c3ccccc3)=C1c4ccccc4)(C(C2C5=O)C(N5c6ccc(cc6)C#N)=O)CC,0.0
82260,CO-ADD:0252815,-21.16,n1(c2ccccc2)c(SCC(=O)Nc3cccc(C)c3C)nnc1c4ccc(cc4)OC,0.0
82261,CO-ADD:0254822,-21.18,c1(C2c3cccc(OC)c3)c([nH]nc1C(C)(C)C)OC(N)=C2C#N,0.0
82262,CO-ADD:0255005,-21.18,C1(NC(CSc2sc3c(ccc(c3)\N=C\c(cc(Br)cc4Br)c4O)n2)=O)=C(C)N(N(c5ccccc5)C1=O)C,0.0
82263,CO-ADD:0254831,-21.19,n1(C(=O)CSc2nc(c3cccs3)cc(c4ccc(cc4)F)c2C#N)c(C)cc(C)n1,0.0
82264,CO-ADD:0254583,-21.19,C(=S)(c1ccc(cc1)C)N2CCCCC2,0.0
82265,CO-ADD:0254809,-21.19,N1(c2ccccc2Cl)C(=O)c(c3C1=O)cccc3,0.0
82266,CO-ADD:0254311,-21.19,c1(SCC(NCCc2ccccc2)=O)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Cl)n1,0.0
82267,CO-ADD:0255272,-21.2,C(C(=O)OC1CCCC1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c(cc4OCC)cc(c4O)Br,0.0
82268,CO-ADD:0255312,-21.2,C(=N)(N1CCCCC1)\C(\C#N)=N\Nc2cccc(F)c2,0.0
82269,CO-ADD:0255344,-21.2,C(=C/c1cc(ccc1N2CCC(CC2C)C)[N+](=O)[O-])(/C(=O)N(C)C(N3C)=O)\C3=O,0.0
82270,CO-ADD:0254011,-21.23,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(cc4OC)cc(c4OC)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
82271,CO-ADD:0250143,-21.23,C(=O)(N\N=C(/C1)\CCCCCC1)C(=O)NCc2ccccn2,0.0
82272,CO-ADD:0250081,-21.23,s1c(N)nnc1CC(=O)N\N=C\c2cccc(C)c2,0.0
82273,CO-ADD:0255535,-21.23,C1(C(OCCc2ccccc2)=O)=C(C)NC(NC1c3cccc(OC)c3)=O,0.0
82274,CO-ADD:0250254,-21.29,C12=C(C(NC(c3ccc(cc3)F)N1)=O)SC(=S)N2c4ccccc4,0.0
82275,CO-ADD:0250282,-21.29,C(=C\c(ccc(c1OC)OCC#N)c1)(/C2=O)\Sc(c23)cccc3,0.0
82276,CO-ADD:0256394,-21.29,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(=O)NC(C)C,0.0
82277,CO-ADD:0250386,-21.32,C(=C/c(ccc(c1OC)OCc(cc2)ccc2C)c1)(/C3=O)\C(=O)N(C(=O)N3C)C,0.0
82278,CO-ADD:0256889,-21.32,c1(SCC(=O)c2ccc(cc2)Br)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
82279,CO-ADD:0250670,-21.36,C1(Cl)(Cl)C(C1CCC(C2C(=O)Nc3cccc(Cl)c3)C24)CC4,0.0
82280,CO-ADD:0253588,-21.37,c(cc(cc1[N+](=O)[O-])C(=O)Nc2c(OC)ccc(OC)c2)([N+](=O)[O-])c1Nc(cc3)ccc3\C=C\c4ccccc4,0.0
82281,CO-ADD:0255619,-21.37,o1c(c2ccccc2)nnc1N(CCC(O)=O)CCC(O)=O,0.0
82282,CO-ADD:0256883,-21.39,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccc(c5c4)OCO5)c3C#N)C#N,0.0
82283,CO-ADD:0257083,-21.4,[N+](=O)([O-])c1c(NCCN)ccc(c1)C(F)(F)F.Cl,0.0
82284,CO-ADD:0249321,-21.46,C(C1=O)(C23Br)C(C(N1CCc(ccc(c4OC)OC)c4)=O)C(c(cccc5)c25)(c6c3cccc6)Br,0.0
82285,CO-ADD:0247475,-21.46,C(=O)(c1ccc(cc1)CCCC)Nc(cc2)ccc2C(OCCCC)=O,0.0
82286,CO-ADD:0254448,-21.48,C(C1CCN2CC1)(C2)(OC(C)=O)C#N,0.0
82287,CO-ADD:0248835,-21.5,C1(O)(C(F)(F)F)c(c2)c(N(CC(OC)=O)C1=O)ccc2C(O)(C(F)(F)F)C(F)(F)F,0.0
82288,CO-ADD:0248840,-21.5,n1c(c2ccc(cc2)Cl)csc1N\N=C\c(cc3)ccc3OCc(cc4)ccc4C,0.0
82289,CO-ADD:0249501,-21.51,S(C)(=O)(=O)N(c1ccccc1)CC(=O)N\N=C\c(cc2)ccc2OC(C3)CS3,0.0
82290,CO-ADD:0249094,-21.51,C(C(=O)OC1CCCCC1)(=C(C)NC(=C23)CC(CC2=O)(C)C)C3c4cc5c(cc4Cl)OCO5,0.0
82291,CO-ADD:0247804,-21.52,C(CF)(CO1)(COC1(C)C)NC(NCCCl)=O,0.0
82292,CO-ADD:0255014,-21.54,C(C(OC)=O)(C1c2ccc(cc2)Br)=C(N)N(C(CCCC3=O)=C13)c(cc4)ccc4S(N)(=O)=O,0.0
82293,CO-ADD:0254829,-21.57,C1(C#N)=C(SCc(cc2)ccc2F)NC(=C(C(C)=O)[C@@]1([H])c3ccccc3[N+](=O)[O-])C,0.0
82294,CO-ADD:0248021,-21.58,c1(SCC(=O)N\N=C\c2c(ccc(cccc3)c23)OCc4ccccc4Cl)sc(c5n1)cccc5,0.0
82295,CO-ADD:0248019,-21.6,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C\c6c(cccc6F)Cl)n1,0.0
82296,CO-ADD:0247979,-21.61,C(=C/c(ccc1c(c(C)ccc2[N+](=O)[O-])c2)o1)(/C3=O)\Sc(c34)cccc4,0.0
82297,CO-ADD:0254696,-21.63,c1(nc(c(C(C)=O)s1)C)N2C(c3ccco3)CC(c4ccc(cc4)CC(C)C)=N2.Cl,0.0
82298,CO-ADD:0252324,-21.64,C1(c2ccccc2)(c3ccccc3)c4c(cccc4)N=C(c5ccccc5)O1,0.0
82299,CO-ADD:0255144,-21.69,N(c1c2cccc1C)=C(c(cc3)ccc3c4ccccc4)OC2=O,0.0
82300,CO-ADD:0252476,-21.69,c(c1O)c(ccc1\C=N\c(cc2)ccc2N(CC)CC)N(CC)CC,0.0
82301,CO-ADD:0248153,-21.7,c12c(nnc(SCC(=O)Nc3sc(c4c3C#N)CCCC4)n1)c5c(cccc5)n2CC=C,0.0
82302,CO-ADD:0256032,-21.78,S(=O)(=O)(N(CC)CC)c1c(ccc(c1)[N+](=O)[O-])N\N=C\c(ccc(c2[N+](=O)[O-])N(CC3)CCO3)c2,0.0
82303,CO-ADD:0250600,-21.79,N1(C2CCCCCCC2)C(=O)c(c3C1=O)cccc3[N+](=O)[O-],0.0
82304,CO-ADD:0256025,-21.79,c(c(OC)c1)(cc(c1C(c2ccccc2)=O)OC)C(=O)Nc3ccccc3C,0.0
82305,CO-ADD:0256122,-21.8,c(non1)(N2\N=C\c(cccc3C(F)(F)F)c3)c1N(c4c2non4)\N=C\c(cccc5C(F)(F)F)c5,0.0
82306,CO-ADD:0254030,-21.82,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)C)SC(=NN2c6cccc(Cl)c6)C(OCC)=O,0.0
82307,CO-ADD:0255982,-21.82,C(=C/c(ccc(c1OCC)O)c1)(/C(=O)NN2c3ccc(cc3)C)\C2=O,0.0
82308,CO-ADD:0250414,-21.84,n1c(N2CCC(CC2)C)c(Nc(cc3)ccc3F)nc(non4)c14,0.0
82309,CO-ADD:0254095,-21.85,C(C1)(CN(C2)CN3CN12)(C3)\C(\c4ccc(cc4)Cl)=N/N=C/c5cccc(O)c5,0.0
82310,CO-ADD:0255543,-21.86,c(\C=N\N=C\c(cc(Br)c(c1)OC)c1OC)(cc(Br)c(c2)OC)c2OC,0.0
82311,CO-ADD:0254104,-21.89,C1(C(OCCOCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)O,0.0
82312,CO-ADD:0255512,-21.89,S(C)(=O)(=O)N(c1ccccc1C)CC(=O)N(CC2)CCO2,0.0
82313,CO-ADD:0250233,-21.92,N(=C(/C)\c1ccc(cc1)Br)/NC(CSCc(cc(C)cc2C)c2)=O,0.0
82314,CO-ADD:0253438,-21.92,N1(c2cccc(OC(C)=O)c2)C(=O)c3c(c(ccc4[N+](=O)[O-])C1=O)c4ccc3,0.0
82315,CO-ADD:0253880,-21.93,c(c1c(s2)CCCC1)(C3=O)c2N=C(SCc4c(cccc4Cl)Cl)N3c5ccccc5,0.0
82316,CO-ADD:0256349,-21.94,c1(NC(=O)CN(CC2)CCN2CC(=O)Nc3nnc(SCC(=O)Nc(cc4)ccc4C(C)=O)s3)nnc(SCC(=O)Nc(cc5)ccc5C(C)=O)s1,0.0
82317,CO-ADD:0253274,-22.0,N1(c(ccc(c2C(=O)ON3C(=O)CCC3=O)Cl)c2)C(=O)c4c(cccc4)C1=O,0.0
82318,CO-ADD:0256814,-22.01,N1(c2ccc(cc2)Nc3ccccc3)C(=O)c(c4C1=O)ccc(C(O)=O)c4,0.0
82319,CO-ADD:0249495,-22.04,c1(cc(C)ccc1C(C)C)OCC(=O)N\N=C\c2ccccc2,0.0
82320,CO-ADD:0255156,-22.05,C(=C\c(cc1)ccc1OCCCCCCCC)(/C=C(O2)c3ccc(c(OC)c3)OC)\C2=O,0.0
82321,CO-ADD:0254783,-22.05,c1(C(OCC)=O)c(cc(O)cc2)c2n(C)c1CSc(cc3)ccc3C,0.0
82322,CO-ADD:0254381,-22.07,C1(C#N)(C#N)[C@]([H])(c2cccs2)[C@@](N(c3c(cccc3)C=C4)[C@@]14[H])([H])C(=O)C56CC7CC(CC(C7)C5)C6,0.0
82323,CO-ADD:0249111,-22.08,S(=O)(=O)(N(CC1)CCO1)c2csc(C(=O)Nc(cc3)ccc3Cl)c2,0.0
82324,CO-ADD:0249190,-22.09,c1(c(OC)ccc(cccc2)c12)\C=N\c3ccccc3C(N)=O,0.0
82325,CO-ADD:0254334,-22.11,c(C(=O)N\N=C\c1ccccc1OC(=O)c(ccc(c23)OCO2)c3)(c(C)on4)c4c5ccccc5,0.0
82326,CO-ADD:0254298,-22.18,N(C(C)(C)C)(\C=C(\Cl)/Cl)C(=O)N\N=C\c(cc1)ccc1OC,0.0
82327,CO-ADD:0249473,-22.18,n(c1C)[nH]c(c1CCBr)C,0.0
82328,CO-ADD:0255130,-22.22,S(=O)(=O)(N(c1ccccc1)CC(=O)N\N=C\c(ccc(c23)OCO2)c3)c4ccccc4[N+](=O)[O-],0.0
82329,CO-ADD:0254731,-22.23,C1(C(=O)OC(C)C)=C(C)N(C(=O)NC1c2ccccc2[N+](=O)[O-])CC,0.0
82330,CO-ADD:0254779,-22.24,c(NC(=O)c1cccc(C)c1)(sc(c2c3ccccc3)c4ccccc4)n2,0.0
82331,CO-ADD:0249110,-22.24,S(=O)(=O)(N1CCCCC1)c2c(Br)ccc(c2)C(=O)Nc3nnc(c4ccccc4)s3,0.0
82332,CO-ADD:0254607,-22.26,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(ccc(c4OC)OCc5cccc(cccc6)c56)c4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
82333,CO-ADD:0249073,-22.27,n12c(S\C(=C/c(cccc3[N+](=O)[O-])c3)\C1=O)nnc2c4ccccc4,0.0
82334,CO-ADD:0247938,-22.27,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)\N=C\c(cc(Cl)cc4Cl)c4O)n1,0.0
82335,CO-ADD:0249599,-22.28,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)C(=O)NC3CC3,0.0
82336,CO-ADD:0254989,-22.28,c1(Sc2ccc(cc2[N+](=O)[O-])\C=N\c(ccc(c3s4)nc4SCC(NCCc(ccc(c5OC)OC)c5)=O)c3)sc6c(ccc(OCC)c6)n1,0.0
82337,CO-ADD:0250193,-22.32,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c4c5c(cccc5)cc(cccc6)c46)n1,0.0
82338,CO-ADD:0254016,-22.33,C(/C#N)(\C(N)=O)=C/c(cc1OC)cc(c1OCc2cccc(cccc3)c23)I,0.0
82339,CO-ADD:0250202,-22.33,c1(SCC(=O)NC(C)c2ccccc2)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
82340,CO-ADD:0250695,-22.35,C(/C(C)=NN1c2ccccc2)(=C/c3cc(Br)ccc3OCC)\C1=O,0.0
82341,CO-ADD:0253570,-22.35,N(CN(CC1)CCN1c(cccc2C(F)(F)F)c2)(N=C(N3C)c4cccc(OC)c4)C3=S,0.0
82342,CO-ADD:0255356,-22.36,s1c(N)nnc1SCC(=O)Nc(cc2)ccc2C(C)=O,0.0
82343,CO-ADD:0256753,-22.36,c(cc(Br)cc1\C=C(\C2=O)/Sc(c23)cccc3)(c1O)[N+](=O)[O-],0.0
82344,CO-ADD:0256159,-22.37,c12c(c(cc(OC(=O)NC3CCCCC3)c1Cl)Cl)OC(=O)S2,0.0
82345,CO-ADD:0255785,-22.4,C1(C(OCCSCC)=O)=C(C)NC(=O)NC1c2ccc(cc2)Cl,0.0
82346,CO-ADD:0256749,-22.4,c1(N(CC2)CCO2)nc(N([H])\N=C\c(cc3)ccc3Br)nc(N([H])Cc4ccccc4)n1,0.0
82347,CO-ADD:0255966,-22.42,c1(cc(Cl)ccc1\N=C\c2ccc(Br)s2)C(c3ccccc3)=O,0.0
82348,CO-ADD:0256735,-22.43,N1(c2ccc(cc2)F)CC(CC1=O)C(=O)Nc(cc(C)cc3C)c3,0.0
82349,CO-ADD:0255440,-22.43,c1(cc(Cl)ccc1NC(CSc2oc(c3n2)cccc3)=O)[N+](=O)[O-],0.0
82350,CO-ADD:0253491,-22.47,S(=O)(=O)(c1ccc(cc1)C)Oc2cc(ccc2C(C)(CC(C)(C)NC3=S)N3)OS(=O)(=O)c4ccc(cc4)C,0.0
82351,CO-ADD:0253173,-22.48,C(C#N)(C1c(cc2)ccc2N(C)C)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
82352,CO-ADD:0250112,-22.48,c(Nc(cc1)ccc1OC)(nc(Cl)nc2NC(C)C)n2,0.0
82353,CO-ADD:0250367,-22.51,c1(cc(ccc1N2CCCCC2)n3cnnn3)[N+](=O)[O-],0.0
82354,CO-ADD:0250480,-22.53,C1(C(C)(C)N(C(=S)S1)C)N(C(c(cc2)ccc2[N+](=O)[O-])C(C3C(N4c5ccc(cc5)OC)=O)C4=O)O3,0.0
82355,CO-ADD:0249563,-22.54,N1(c2ccc(cc2)Cl)C(=O)C(CC1=O)NCc(ccc(c34)OCO3)c4,0.0
82356,CO-ADD:0254297,-22.57,c1(nonc1c2ccccc2)N(Cc(cc3)ccc3OC)N=Nc4nonc4c5ccccc5,0.0
82357,CO-ADD:0247978,-22.58,c1(C(OCC)=O)c(cc(OC)c(c2)Br)c2n(c3ccccc3)c1CN(CC4)CCN4c5ccccc5C,0.0
82358,CO-ADD:0249390,-22.59,c1(\N=C\c2cccc(Cl)c2Cl)c(c3ccc(c(OC)c3)O)nc(cccc4)n14,0.0
82359,CO-ADD:0252546,-22.6,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4cc(Br)ccc4OC)\C1=O)=NC(C)=C2C(OCC)=O,0.0
82360,CO-ADD:0249631,-22.63,c1(Nc2cccc(OC)c2)sc(c(c3ccc(c(Cl)c3)Cl)n1)CCC,0.0
82361,CO-ADD:0254993,-22.66,c1(ccc(cc1N2CCCCC2)SCCOc3nonc3c4ccccc4)[N+](=O)[O-],0.0
82362,CO-ADD:0247630,-22.66,N1(c2c(OC1=O)cccc2)\C=C\C(c3ccccc3)=O,0.0
82363,CO-ADD:0249288,-22.71,c1(SCC(NCCCC)=O)sc2c(ccc(c2)NC(=O)c3ccccc3Cl)n1,0.0
82364,CO-ADD:0249015,-22.72,C(C(OCC)=O)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccccc4,0.0
82365,CO-ADD:0249701,-22.72,N(C(=O)\C(\S1)=C/c2ccc(cc2Cl)Cl)=C1N3CCCCC3,0.0
82366,CO-ADD:0249262,-22.73,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
82367,CO-ADD:0252669,-22.73,C(=C\c(cccc1[N+](=O)[O-])c1)(/C2=O)\Sc(c23)cccc3,0.0
82368,CO-ADD:0252608,-22.74,C1(O)(CC(=NN1C(C)=O)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.0
82369,CO-ADD:0253044,-22.75,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)C)SC(=NN2c6cccc(Cl)c6)C(C)=O,0.0
82370,CO-ADD:0249507,-22.86,C(=O)(c(cc1)ccc1C(=O)N(CC2)CCN2c3ccc(cc3)F)N(CC4)CCN4c5ccc(cc5)F,0.0
82371,CO-ADD:0249511,-22.9,C(=O)(c(cc1)ccc1C(=O)Nc2ccc(cc2C)I)Nc3ccc(cc3C)I,0.0
82372,CO-ADD:0249568,-22.92,S(=O)(=O)(c1ccc(cc1)OCC)N(c2ccc(cc2)C)CC(=O)N\N=C(\C3)/CCCCCCCCCC3,0.0
82373,CO-ADD:0250629,-22.94,N1C(=O)\C(\SC1=S)=C/c(c(cccc2)c2n3C)c3,0.0
82374,CO-ADD:0257087,-22.94,N1(c2ccc(cc2)Oc3cccc(Oc(cc4)ccc4N5C(=O)c(c6C5=O)ccc(c6)C(=O)Nc(cccc7C#C)c7)c3)C(=O)c(c8C1=O)ccc(c8)C(=O)Nc(cccc9C#C)c9,0.0
82375,CO-ADD:0254085,-22.94,n(c1C)(nnc1C(=O)N\N=C\c2ccccc2OC)c3nonc3N,0.0
82376,CO-ADD:0250184,-22.94,n1(nnc(C(OC)=O)c1CN2CCCC2)c3nonc3N,0.0
82377,CO-ADD:0250640,-22.95,c1(OC)c(OC)cc(cc1OC)\C=N\c(cc2)ccc2NC(C)=O,0.0
82378,CO-ADD:0254063,-22.99,N1(c2cccc(C)c2C)C(=O)C(C(C1=O)C34C(OC)OC)C(c(c35)cccc5)c(c46)cccc6,0.0
82379,CO-ADD:0256481,-23.0,C1(N(c2ccccc2)CCN1c3ccccc3)c4ccc(C)s4,0.0
82380,CO-ADD:0256633,-23.01,C1(c2ccc(c(Br)c2)O)N(c3ccccc3)CCN1c4ccccc4,0.0
82381,CO-ADD:0256626,-23.02,C(/c1c(N2)cccc1)(=N\NC(=O)C(=O)Nc3c(Cl)ccc(Cl)c3)\C2=O,0.0
82382,CO-ADD:0256818,-23.08,c1(OC(=O)C=C2C)c2ccc(O)c1CN(CC)CC,0.0
82383,CO-ADD:0256835,-23.1,C1(F)(C(F)(F)C(=O)NC2CCCCC2)OC(C(F)(F)C1(F)F)(F)F,0.0
82384,CO-ADD:0257070,-23.11,C(=O)(NCC(C)C)C(=O)NCC(CCCC)CC,0.0
82385,CO-ADD:0256653,-23.12,C1(C(OCCCCCCC)=O)=C(C)NC(NC1c2ccccc2OCCC)=O,0.0
82386,CO-ADD:0250709,-23.12,S(=O)(=O)(N(CC1)CCO1)c2c(F)ccc(c2)C(=O)Nc3ccccc3,0.0
82387,CO-ADD:0253505,-23.13,N(C(=O)\C(\S1)=C/c2cccc(Cl)c2)=C1N3CCCC3,0.0
82388,CO-ADD:0250155,-23.16,c1(NC(c2ccccc2)=O)n(c3ccccc3)ncc1C(=O)N(CC4)CCN4C,0.0
82389,CO-ADD:0255539,-23.18,c1(OC)c(OC)cc(cc1OC)\C=N\c(cc2)ccc2C(C)=O,0.0
82390,CO-ADD:0256606,-23.18,P(O)(CCc(ccc(n1)C)c1)(CCc(ccc(n2)C)c2)=O,0.0
82391,CO-ADD:0249192,-23.19,C(=C\c1ccccc1)(/NC(C)=O)\C(=O)Nc(cc2)ccc2I,0.0
82392,CO-ADD:0249552,-23.22,N1(c2ccccc2)\C(=N/N=C(\C)/c3ccco3)\SC(CC(O)=O)C1=O,0.0
82393,CO-ADD:0254680,-23.23,C(=C/c(cc1)cc(c1OC(=O)c2cc(F)c(cc2Cl)F)OC)(/C3=O)\C(=O)NC(=O)N3,0.0
82394,CO-ADD:0249063,-23.25,N1(c2cccc(Br)c2)C(=O)CC(N(CC3)CCN3c4ccc(cc4)F)C1=O,0.0
82395,CO-ADD:0249561,-23.26,N1(c2c(Cl)ccc(c2)C(F)(F)F)C(CCCC3=O)=C3C(C(C#N)=C1N)c4ccc(C(C)(C)C)s4,0.0
82396,CO-ADD:0249574,-23.31,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccccc4C)n1,0.0
82397,CO-ADD:0256332,-23.31,C(/Sc(c12)cccc1)(\N2C)=N/C(c(cc3)ccc3[N+](=O)[O-])\N=C(/Sc(c45)cccc4)\N5C,0.0
82398,CO-ADD:0257102,-23.34,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)NC(=O)c4ccc(cc4)Br)n1,0.0
82399,CO-ADD:0255532,-23.35,c1(C#N)c(c2ccc(cc2)Cl)c(C#N)c(nc1N3CCCC3)N,0.0
82400,CO-ADD:0250046,-23.35,n1(c(c(cc2)ccc2[N+](=O)[O-])c(nn1)C(N)=O)c3nonc3N,0.0
82401,CO-ADD:0253883,-23.36,o1c(SCc2c(cccc2Cl)Cl)nnc1c3ccc(cc3)OC,0.0
82402,CO-ADD:0253899,-23.38,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(ccs3)c3)c4sc(c5c4C(OC)=O)CCCC5,0.0
82403,CO-ADD:0253950,-23.4,C(=O)(N\N=C\c(cc1)ccc1OCc2ccccc2)c(cc3)ccc3c4ccccc4,0.0
82404,CO-ADD:0250445,-23.42,c1(c2ccco2)nc(n3c1\N=C\c(cc(OCO4)c4c5)c5Cl)cccc3,0.0
82405,CO-ADD:0253354,-23.42,C(=O)(N1CCc(c2C1)cccc2)c3ccccc3[N+](=O)[O-],0.0
82406,CO-ADD:0255841,-23.47,C(=O)(Nc1cc(C)ccn1)c2c(cccc2OC)OC,0.0
82407,CO-ADD:0256405,-23.53,S1(=O)(=O)c(cccc2)c2C(N(C)c3ccc(cc3)OC(=O)c(cc4)ccc4C(C)(C)C)=N1,0.0
82408,CO-ADD:0255316,-23.53,C(/C#N)(=N\Nc(cc1)ccc1Cl)\C(N(CCC)CCC)=N,0.0
82409,CO-ADD:0255718,-23.55,S(=O)(=O)(Nc(ccc(c12)C(=O)c3c(cccc3)C1=O)c2)c(ccc(c45)C(=O)c(c6C4=O)cccc6)c5,0.0
82410,CO-ADD:0247550,-23.58,N(N(c1ccccc1)CC2C(OCCCC)=O)=C2C(C)=O,0.0
82411,CO-ADD:0254939,-23.65,C(=O)(Nc(cc1)ccc1F)c(ccc(c2Cl)Cl)c2,0.0
82412,CO-ADD:0248223,-23.65,C(=O)(C\C(\C)=N\NC(=O)c1ccc(cc1)NC(C)=O)Nc2ccccc2NC(C)=O,0.0
82413,CO-ADD:0253113,-23.66,N(C(=O)CC(N1)=O)=C1SCC(=O)Nc2scc(c3ccccc3)n2,0.0
82414,CO-ADD:0253112,-23.73,c1(Nc(cc2)ccc2[N+](=O)[O-])nc(Cl)nc(NCc3ccco3)n1,0.0
82415,CO-ADD:0247377,-23.73,N1(CC(=O)Nc(cc2)ccc2S(N)(=O)=O)C(=O)C(N(c3ccccc3)C1=O)=O,0.0
82416,CO-ADD:0254681,-23.77,n1(CC(=O)N\N=C\c(cc(Br)cc2Br)c2OCC=C)nnnc1N,0.0
82417,CO-ADD:0252838,-23.8,C(=O)(c1ccc(cc1)C)O\N=C(\C=C\c2ccccc2)/C=C/c3ccccc3,0.0
82418,CO-ADD:0249112,-23.87,C(C(OCC)=O)(C1c2ccc(cc2)SC)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)Cl,0.0
82419,CO-ADD:0249078,-23.89,N1\C(=N/N=C(\C)/c2ccc(cc2)Cl)\SC(CC(O)=O)C1=O,0.0
82420,CO-ADD:0252789,-23.9,c1(c(ccc(c1)C(F)(F)F)Oc(cc2)ccc2C(=O)Nc3cccc(Cl)c3)[N+](=O)[O-],0.0
82421,CO-ADD:0252868,-23.92,c1(C(=O)Oc2ccc(cc2OC)\C=N\NC(=O)c3ccccc3Cl)c(Cl)c4c(cccc4)s1,0.0
82422,CO-ADD:0250426,-23.96,n12c(S\C(=C\c(ccc3c4cccc(Cl)c4)o3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
82423,CO-ADD:0249968,-23.97,C(C)(C(=O)NCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0.0
82424,CO-ADD:0255926,-24.0,C(=O)(Nc(cc1)cc(c1Oc2ccc(c3c2Br)cccc3)Cl)c4cccs4,0.0
82425,CO-ADD:0255439,-24.03,c1(N(CCCC)CCCC)nc(OC)nc(Nc(cc2)ccc2[N+](=O)[O-])n1,0.0
82426,CO-ADD:0255664,-24.04,S(=O)(=O)(N(CC)CC)c(ccc(c1C(=O)Oc(cccc2NC(=O)c3ccc(cc3)OC)c2)Cl)c1,0.0
82427,CO-ADD:0250623,-24.05,N1(CC=C)C(=O)\C(\SC1=S)=C/c(ccs2)c2,0.0
82428,CO-ADD:0254001,-24.05,S(=O)(=O)(N1CCCCC1)c(ccc(c2C(=O)Oc(cccc3NC(=O)c4cccc(OC)c4)c3)Cl)c2,0.0
82429,CO-ADD:0256625,-24.09,C1(Nc(cc2)ccc2OC)C(O)C(C(C(CO)O)O1)O,0.0
82430,CO-ADD:0255497,-24.12,S(=O)(=O)(c1ccc(cc1)NC(CCC(O)=O)=O)Nc2cc(OC)nc(OC)n2,0.0
82431,CO-ADD:0256169,-24.16,N(\C(=C/c(cc1)ccc1OC(=O)c(cccc2[N+](=O)[O-])c2)\C(O3)=O)=C3c4ccc(cc4)C,0.0
82432,CO-ADD:0253852,-24.21,c1(C#N)c(COC)cc(nc1N\N=C\c(ccc(c2OC)OCC)c2)C,0.0
82433,CO-ADD:0250510,-24.22,c1(c2ccco2)nnc(SCC(=O)Nc3ccccc3C(OC)=O)o1,0.0
82434,CO-ADD:0250038,-24.25,c1(C(OCC)=O)c2c(n(c3ccccc3)c1CN(CC4)CCO4)cc(Br)c(O)c2CN(C)C,0.0
82435,CO-ADD:0255948,-24.26,S(=O)(=O)(c1ccc(cc1)Oc2ccccc2)N(CC3)CCN3c4ccccc4,0.0
82436,CO-ADD:0252867,-24.27,c1([N+](=O)[O-])nnn(C\C(\C)=N\NC(c(cc2)ccn2)=O)n1,0.0
82437,CO-ADD:0247859,-24.29,c1(c(O)ccc(cccc2)c12)\C=N\c3cc(ccc3N4CCCC4)C(F)(F)F,0.0
82438,CO-ADD:0255225,-24.29,c1(C(c(cc2)ccc2[N+](=O)[O-])N(CC3)CCO3)nnnn1c4cccc(Cl)c4,0.0
82439,CO-ADD:0255186,-24.38,C(C)(CC(c(c12)cccc1)c(c34)cccc3)(C(=O)Nc5cccc(OC)c5)C24,0.0
82440,CO-ADD:0252863,-24.39,C(C(OC)=O)(=C1C)\C(=C\c2ccccc2Cl)\C(N1C)=O,0.0
82441,CO-ADD:0247844,-24.43,C1(C(=O)Nc(cccc2C(O)=O)c2)=Cc(c3)c(OC1=O)ccc3[N+](=O)[O-],0.0
82442,CO-ADD:0254423,-24.43,c1(c(c2)cc(cc2[N+](=O)[O-])[N+](=O)[O-])sc(c3n1)cccc3,0.0
82443,CO-ADD:0247990,-24.46,N1(NC(C)=O)C(c(cccc2[N+](=O)[O-])c2)Nc(c3C1=O)cccc3,0.0
82444,CO-ADD:0249533,-24.47,c1(N(CC2)CCO2)nc(N\N=C\c(ccc3c4ccccc4Cl)o3)nc(Nc5ccccc5)n1,0.0
82445,CO-ADD:0247517,-24.49,N1(\N=C\c(cc2)ccc2F)C(=O)C3C(C(C4(CC4)C35)C=C5)C1=O,0.0
82446,CO-ADD:0254756,-24.59,c(C#N)(c(\C(\C#N)=C\c(c(cccc1)c1n2Cc3ccc(cc3Cl)Cl)c2)nn4c5ccccc5)c4N,0.0
82447,CO-ADD:0254676,-24.62,c(C#N)(c(\C(\C#N)=C\c1cc(I)cc(I)c1OCc2ccccc2)nn3c4ccccc4)c3N,0.0
82448,CO-ADD:0249647,-24.64,n1c(c2ccccc2)nnn1CC(=O)N\N=C/c(cc3OC)cc(c3OCc(cc4)ccc4Cl)I,0.0
82449,CO-ADD:0249618,-24.65,c1(SCC(=O)Nc(ccc(c23)c4c(cccc4)o2)c3)sc5c(ccc(c5)\N=C\c6c7c(cccc7)cc(cccc8)c68)n1,0.0
82450,CO-ADD:0248366,-24.66,NC1=C(C(N2C3=CC=C(CC)C=C3)=NC4=C(C=CC=C4)C2=O)SC(NC5=CC=C(CC)C=C5)=N1,0.0
82451,CO-ADD:0254097,-24.67,c12c(nc(C)nc1Cl)c3c(cccc3)o2,0.0
82452,CO-ADD:0250332,-24.69,C(F)(F)(F)c(ccc(n1)N\N=C\c2c(cccc2Cl)Cl)c1,0.0
82453,CO-ADD:0250450,-24.73,c1(c2cc3c(cc2Cl)OCO3)[nH]c(c(c4ccccc4)n1)c5ccccc5,0.0
82454,CO-ADD:0255327,-24.76,[N+](=O)([O-])c1cccc(C(=O)CSc2ncnc([nH]cn3)c23)c1,0.0
82455,CO-ADD:0250613,-24.83,N1(c2cccc(Cl)c2)C(=O)\C(\SC1=S)=C/c(ccs3)c3,0.0
82456,CO-ADD:0253913,-24.86,C1([N+](=O)[O-])=C(NCc2ccco2)c3c(cccc3)OC1=O,0.0
82457,CO-ADD:0256651,-24.87,C(=O)(Nc(cc1)ccc1c2ncc(cn2)c(cc3)ccc3NC(=O)c4ccccc4I)c5ccccc5I,0.0
82458,CO-ADD:0253782,-24.87,N1(c2ccc(cc2)CC)C(CSc([nH]c(c3c4ccccc4)c5ccccc5)n3)=Nc(c6C1=O)cccc6,0.0
82459,CO-ADD:0253542,-24.87,N1(c2ccc(c(Cl)c2)Cl)C(=O)\C(=C\c3ccccc3OC)\C(N(c4ccccc4)C1=S)=O,0.0
82460,CO-ADD:0253566,-24.97,N1(CN2CCCC2)N=C(N(C)C1=S)COc3ccccc3,0.0
82461,CO-ADD:0253799,-24.98,N1(CC2)c(c(C2c3ccccc3)c4)c(C5C(CC=C5)C1c6ccc(cc6)Cl)cc4C(O)=O,0.0
82462,CO-ADD:0254000,-25.01,c(Nc1ccccc1)(nc(N\N=C\c(ccc(c2OC)OCc3ccccc3[N+](=O)[O-])c2)nc4Nc5ccccc5)n4,0.0
82463,CO-ADD:0250653,-25.03,C(C#N)(C1c2ccc(c(O)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)F,0.0
82464,CO-ADD:0255602,-25.1,C(=O)(Nc1cccc(Cl)c1)C(c2ccc(cc2)Cl)NC(=O)c3ccc(cc3)Cl,0.0
82465,CO-ADD:0256947,-25.12,[N+](=O)([O-])c1cc(ccc1OC)\C=C\C(=O)c2ccc(cc2)I,0.0
82466,CO-ADD:0256042,-25.2,n1(N)c(C)nnc1N\N=C\c(ccc(c2OC)OCc3ccccc3)c2.Cl.Cl,0.0
82467,CO-ADD:0255660,-25.2,S(=O)(=O)(c(cccc1C(=O)Oc(cccc2NC(=O)c3ccc(cc3)C)c2)c1)N4CCC(CC4)C,0.0
82468,CO-ADD:0253199,-25.23,N1(c2cccc(OCC)c2)C(=O)CC(N(CC3)CCN3C)C1=O,0.0
82469,CO-ADD:0252615,-25.31,P1(=O)(Oc2ccccc2)Oc(cccc3)c3C(=O)N1c4ccccc4,0.0
82470,CO-ADD:0252468,-25.32,[N+](=O)([O-])c(c(C)c1)cc(c1N2CCCCC2)F,0.0
82471,CO-ADD:0252272,-25.34,C(C(OCCCC)=O)(=C(C)NC(=C12)CCCC1=O)C2c3ccc(cc3Cl)Cl,0.0
82472,CO-ADD:0247816,-25.36,c1(C2C)c(C(CN2C)C)oc(ccc(N)c3)c13.C(O)(=O)\C=C\C(O)=O,0.0
82473,CO-ADD:0252697,-25.37,[n+]1([O-])onc(C(Cl)(Cl)Cl)c1C(Cl)(Cl)Cl,0.0
82474,CO-ADD:0252298,-25.51,C(C(c1ccccc1)=O)(C(=O)C(C2=P(c3ccccc3)(c4ccccc4)c5ccccc5)=O)=C2OC(CC)=O,0.0
82475,CO-ADD:0252310,-25.52,C(CO)(CO)(COCc1ccccc1)N,0.0
82476,CO-ADD:0252561,-25.53,c1(Cc(c23)cccc2)c3ccc(C(CCCN4CCCCC4)=O)c1,0.0
82477,CO-ADD:0247714,-25.58,C(C(O)=O)(C(c1ccc(cc1)Br)C2C(O)=O)=C(C(C#N)C#N)NC2(C)O.n3ccccc3,0.0
82478,CO-ADD:0249165,-25.59,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(OC)=O,0.0
82479,CO-ADD:0249149,-25.62,c1(ccccc1Nc2ccccc2)C(=O)OCC(=O)c(cc3)ccc3c4ccccc4,0.0
82480,CO-ADD:0249151,-25.63,C(/C1)(=C/c(cc2)ccc2[N+](=O)[O-])\C(=O)\C(\CN1CCC)=C\c(cc3)ccc3[N+](=O)[O-],0.0
82481,CO-ADD:0254652,-25.67,N1(c(cc2)ccc2C(OC)=O)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
82482,CO-ADD:0250419,-25.69,n1c2c([nH]c1S)ccc(C)c2C,0.0
82483,CO-ADD:0250244,-25.72,N1(c(cc2)ccc2C(O)=O)C(=O)C(C3C1=O)C4C=CC3CC4,0.0
82484,CO-ADD:0250372,-25.73,c1(cc(ccc1N2CCC(CC2)C)\C=N\N=C(\SCC3=O)/N3)[N+](=O)[O-],0.0
82485,CO-ADD:0253914,-25.76,C(/C(OC)=O)(=C\c(c1c([nH]2)cccc1)c2)\[N+](=O)[O-],0.0
82486,CO-ADD:0250436,-25.78,C(=N/c1c(C)cccc1C)(/S\C(\C2=O)=C/c(ccc3c4ccc(c(Cl)c4)C)o3)\N2c5ccccc5,0.0
82487,CO-ADD:0255976,-25.81,C(=O)(N\N=C\c1cc(Cl)ccc1O)c2cccc(F)c2,0.0
82488,CO-ADD:0255469,-25.85,C(C(OCC)=O)(=C1C)\C(=C\c(ccc(c2OC)O)c2)\C(N1c3ccccc3)=O,0.0
82489,CO-ADD:0256181,-25.88,N1(C2c3ccc(cc3)Cl)C(S\C(=C\c(ccc4c(cc5)ccc5[N+](=O)[O-])o4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
82490,CO-ADD:0256327,-25.93,N1(N(C)C)C(C)(O)C(OC1=O)(C)CC\C=C(/C)\C,0.0
82491,CO-ADD:0253832,-25.94,C1(C)(C(=O)Nc2c(F)c(F)c(c(F)c2F)F)CC1(Cl)Cl,0.0
82492,CO-ADD:0253639,-25.94,c1([nH]c(c2n1)ccc(C)c2)\C(\C#N)=C\c(cc(OC)c(c3)OC)c3Br.Cl,0.0
82493,CO-ADD:0255748,-25.95,C1(C(OC\C=C\C)=O)=C(C)NC(=O)NC1c(cc2)ccc2N(C)C,0.0
82494,CO-ADD:0255932,-25.97,c1(ccc(cc1OC)\C=N\c(cc2)ccc2NC(C)=O)OC(C)=O,0.0
82495,CO-ADD:0250580,-25.98,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3cccs3)c4sc(c5c4C(OCC)=O)CCCC5,0.0
82496,CO-ADD:0256408,-26.0,c1(c(C)nn(c2ccccc2)c1O)C(c3cccc(Br)c3)c4c(C)nn(c5ccccc5)c4O,0.0
82497,CO-ADD:0256425,-26.02,S(=O)(=O)(c1ccc(cc1)C)Oc2ccccc2\C=C(/C3=O)\N=C(O3)c4ccc(cc4)Cl,0.0
82498,CO-ADD:0253163,-26.03,S(=O)(=O)(N(CC1)CCO1)c2c(Br)ccc(c2)C(=O)Nc(cc3)ccc3NC(c4ccccc4)=O,0.0
82499,CO-ADD:0247977,-26.11,c(Oc1ccc(cc1OC)\C=N\N(C)c2ccccc2)(c3c(n4C)cccc3)c4c5ccc(cc5)Br,0.0
82500,CO-ADD:0247956,-26.18,C(=O)(N\N=C\c(ccc(c1OC)OC)c1)C(=O)NC2CC2,0.0
82501,CO-ADD:0252935,-26.18,C(/N)(\NC(=O)Nc1ccccc1)=C(/C(C)=O)\C(OC)=O,0.0
82502,CO-ADD:0252941,-26.2,c1(sc(c2n1)cccc2)SC(=O)N(CC)CC,0.0
82503,CO-ADD:0252744,-26.26,C1(O)(CC(=NN1C(=O)c(cc2)ccc2[N+](=O)[O-])C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.0
82504,CO-ADD:0247985,-26.3,[B-]1(c2ccccc2)(c3ccccc3)OC(C)=C(C(C)=[O+]1)c4scc(c5ccccc5)n4,0.0
82505,CO-ADD:0248078,-26.32,c(NC(C)(C)C)(nc(Cl)nc1Nc(cccc2[N+](=O)[O-])c2)n1,0.0
82506,CO-ADD:0248071,-26.4,N1(c2cc3c(cc2NC(C)=O)cccc3)C(=O)c(c4C1=O)cccc4,0.0
82507,CO-ADD:0249514,-26.4,N1(C(c2ccccc2)=O)N=C(CC1(O)C(C)C)C(C)(C)C,0.0
82508,CO-ADD:0248205,-26.41,c1(ccccc1OCC(=O)N\N=C/c(cc2)ccc2I)C(=O)N\N=C\c(cc3)ccc3I,0.0
82509,CO-ADD:0249003,-26.44,c1(c2ccco2)nnc(SCc(cc3)ccc3Br)o1,0.0
82510,CO-ADD:0249724,-26.46,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(ccc2c3ccc(cc3)Br)o2,0.0
82511,CO-ADD:0249713,-26.49,C(=O)(N\N=C/C=C/c1ccco1)c2ccc(cc2)F,0.0
82512,CO-ADD:0253659,-26.53,C1(C(OC)=O)=C(C)NC(=C2C1c3ccc(C)s3)CCCC2=O,0.0
82513,CO-ADD:0256776,-26.6,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc(Br)cc5[N+](=O)[O-])c5O,0.0
82514,CO-ADD:0255649,-26.64,c1(SC)sc2c(ccc(c2)NC(=O)c3ccccc3OC)n1,0.0
82515,CO-ADD:0255697,-26.69,C1(C)(C)C(C1\C=C(/Cl)\Cl)C(=O)N\N=C\c2cccc(OC)c2,0.0
82516,CO-ADD:0250524,-26.76,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(cc3)ccc3[N+](=O)[O-])c4sc(c5c4C(OCC)=O)CCCC5,0.0
82517,CO-ADD:0253898,-26.77,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c3ccc(cc3)OC)c4sc(c5c4C#N)CCCC5,0.0
82518,CO-ADD:0253740,-26.77,C12=C(C(NC(c3cccc(OC)c3)N1)=O)SC(=S)N2c4ccccc4,0.0
82519,CO-ADD:0253804,-26.8,c(N(CCC1c2ccccc2)CCC3c4ccccc4)(c3cc(c5)\N=C\c(cc6)ccc6OC)c15,0.0
82520,CO-ADD:0253580,-26.81,C(=O)(C(c1ccccc1)c2ccccc2)NC(Cc(c3c([nH]4)cccc3)c4)C(=O)NC5CCCCC5,0.0
82521,CO-ADD:0253797,-26.82,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4\C(=N\c(cc5)ccc5CC)\C1=O,0.0
82522,CO-ADD:0255722,-26.87,c(cc(O)cc1C)(C(=O)c2c(S3)cccc2)c13,0.0
82523,CO-ADD:0256155,-26.95,c1(Nc2c(Cl)ccc(Cl)c2)sc(c(c3ccc(cc3)Cl)n1)C,0.0
82524,CO-ADD:0255740,-27.0,c1(nonc1N)\C(\N)=N\OCC(=O)Nc(cc2)ccc2F,0.0
82525,CO-ADD:0253365,-27.03,n1(c2cccc(cccc3)c23)nnnc1N\N=C\c4cccc(OC)c4O,0.0
82526,CO-ADD:0249926,-27.05,C1(C#N)(C#N)C(c2cccc(cccc3)c23)C4C(C(C#N)=C1N)=CCCC4,0.0
82527,CO-ADD:0256130,-27.05,S(=O)(=O)(N(CC1)CCN1C)c2c(ccc(c2)[N+](=O)[O-])N\N=C\c(cc3)ccc3N(C)C,0.0
82528,CO-ADD:0249879,-27.1,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c3ccc(c(OC)c3)OC)c4sc(c5c4C#N)CCCCC5,0.0
82529,CO-ADD:0252724,-27.13,N1C(=O)\C(\SC1=S)=C/c2ccco2,0.0
82530,CO-ADD:0247943,-27.15,S1(=O)(=O)c(cccc2)c2C(Nc3cccc(SC)c3)=N1,0.0
82531,CO-ADD:0247397,-27.15,S(=O)(=O)(c1ccc(cc1)C)N2CCC(CC2)C(=O)N\N=C(\C3)/c4c(C3)cccc4,0.0
82532,CO-ADD:0252692,-27.15,C(/C(OCC)=O)(\N(CC1)CCO1)=N\OC(c2ccccc2)(c3ccccc3)c4ccccc4,0.0
82533,CO-ADD:0254888,-27.18,c1(C(=O)N\N=C\c(ccc2c(c(C)c3)cc(c3[N+](=O)[O-])C)o2)nonc1N,0.0
82534,CO-ADD:0254860,-27.19,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccc(c(Cl)c5)Cl,0.0
82535,CO-ADD:0252673,-27.2,S(=O)(=O)(NCc1ccccc1)c(c(C)ccc2S(=O)(=O)c3ccc(cc3)Cl)c2,0.0
82536,CO-ADD:0249329,-27.2,[N+](=O)([O-])c1ccc(cc1)COc2ccccc2C=O,0.0
82537,CO-ADD:0248902,-27.2,N1(CCc2ccccc2)C(=O)CC(SCC(=O)Nc3cccc(Cl)c3)C1=O,0.0
82538,CO-ADD:0247642,-27.21,P(N(C)C)(N(C)C)(N(C)C)=NC(=O)C(F)(F)F,0.0
82539,CO-ADD:0254789,-27.29,N1(Cc2ccco2)C(=O)c(cc3)c(c(c4)C1=O)c(c3C5=O)c(c4)C(N5Cc6ccco6)=O,0.0
82540,CO-ADD:0249163,-27.32,c(c1c(s2)CCC1)(C(=O)N3c4ccccc4)c2N=C3SC(C)C(=O)Nc5c(C)cc(cc5C)C,0.0
82541,CO-ADD:0249669,-27.36,N1\C(=N\N=C\c(cc2OCC)cc(c2O)I)\SCC1=O,0.0
82542,CO-ADD:0255768,-27.38,C1(C(=O)OCC(F)(F)F)=C(C)NC(=O)NC1c2ccc(cc2)Cl,0.0
82543,CO-ADD:0250454,-27.44,N1(C2c3ccc(c(OC)c3)OC)C(S\C(=C\c(cc4OC)cc(c4OCc5ccccc5Cl)I)\C1=O)=NC(C)=C2C(OCC)=O,0.0
82544,CO-ADD:0253460,-27.5,n(nnc1C(=O)N2CCCCC2)(c1c3ccccc3)c4nonc4N,0.0
82545,CO-ADD:0253156,-27.54,S(=O)(=O)(N1CCCC1)c2c(C)ccc(c2)C(=O)Nc(c(C)ccc3[N+](=O)[O-])c3,0.0
82546,CO-ADD:0250088,-27.57,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c(cc4)ccc4Cl)n1,0.0
82547,CO-ADD:0253567,-27.62,c1(SCC(=O)NC(C)(C)C)sc(c2n1)ccc(OCC)c2,0.0
82548,CO-ADD:0253788,-27.63,n1(CC=C)c(SCC(=O)c(ccc2c3Cc(c24)cccc4)c3)nnc1c5cccc(OC)c5,0.0
82549,CO-ADD:0253971,-27.69,c1(SCc(cc2)ccc2Br)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
82550,CO-ADD:0256600,-27.73,c12c(nnc(SCC(=O)Nc3nnc(CCC)s3)n1)c4c(cccc4)n2CC=C,0.0
82551,CO-ADD:0255715,-27.77,n(c(Oc1ccc(cc1C)C)cc(n2)F)c2N,0.0
82552,CO-ADD:0255443,-27.77,C(C(c1ccccc1)=O)(C2c3ccccc3F)=C(O)C(N2c(cc4)ccc4S(N)(=O)=O)=O,0.0
82553,CO-ADD:0255844,-27.81,C(Cc(cc1)ccc1OC)(=O)Nc(cc(C)cc2C)c2,0.0
82554,CO-ADD:0253696,-27.88,C(=O)(COC(CSCCCCCCCCCC)=O)c1ccc(cc1)Br,0.0
82555,CO-ADD:0249902,-27.96,N1(c2ccccc2F)C(=O)C(CC1=O)SCC(=O)Nc3cccc(Cl)c3,0.0
82556,CO-ADD:0253636,-28.01,S1(=O)(=O)c(cccc2)c2C(Nc3ccc(cc3C(OC)=O)Cl)=N1,0.0
82557,CO-ADD:0253676,-28.02,N(CCN1Cc2ccccc2)(Cc3ccccc3)C1c4ccc(cc4)SC,0.0
82558,CO-ADD:0255350,-28.06,c12c(c3c(cccc3)[nH]1)nnc(SCC(=O)Nc(ccc(c4Cl)C)c4)n2,0.0
82559,CO-ADD:0254084,-28.08,n(c(cc1)c([nH]2)cc1C(=O)N\N=C\c3ccccc3O)c2C,0.0
82560,CO-ADD:0247563,-28.09,C(=O)(C(c1ccccc1)c2ccccc2)Nc(cccc3C(O)=O)c3,0.0
82561,CO-ADD:0252445,-28.14,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C\c4ccccc4O,0.0
82562,CO-ADD:0253081,-28.15,[N+](=O)([O-])\N=C(\N)/N\N=C\c(ccc1c2cccc(Cl)c2Cl)o1,0.0
82563,CO-ADD:0252924,-28.17,C(/C(OCC)=O)(\CC(=O)c1ccc(cc1)C)=N/NC(=O)c2cccc(C)c2,0.0
82564,CO-ADD:0253098,-28.21,[N+](=O)([O-])c1cc(CSCC(=O)Nc2ccccc2)ccc1OC,0.0
82565,CO-ADD:0252937,-28.23,C(=C/NCCC)(/C(=O)C1)\C(=O)CC1(C)C,0.0
82566,CO-ADD:0247542,-28.31,n1c(C)ccc(cccc2SCc(cc3)ccc3Br)c12,0.0
82567,CO-ADD:0252224,-28.31,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5OC)cc(c5OCc6ccccc6)Br,0.0
82568,CO-ADD:0254868,-28.32,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(ccc5c6cc(Cl)c(cc6[N+](=O)[O-])C)o5,0.0
82569,CO-ADD:0249211,-28.33,c1(sc(c2n1)cccc2)NC(=O)c(ccc3C(c4ccccc4)=O)o3,0.0
82570,CO-ADD:0249775,-28.35,C(=C/c(ccc(c1OC)OCC)c1)(/C(C)=NN2c3ccccc3)\C2=O,0.0
82571,CO-ADD:0249730,-28.4,c1(ccc(cc1Cl)Cl)C(=O)N\N=C\c(cccc2OC(=O)c3cccc(Br)c3)c2,0.0
82572,CO-ADD:0248971,-28.43,N1(c2cccc(c2)C(=O)Nc3ccccc3C(O)=O)C(=O)c4c(cc(cc4)Oc(cccc5[N+](=O)[O-])c5)C1=O,0.0
82573,CO-ADD:0249417,-28.44,c1([nH]c(c2n1)cccc2)\C(\C#N)=C\c(cc3OCC)cc(c3OC)I,0.0
82574,CO-ADD:0250705,-28.45,S(=O)(=O)(N(CC1)CCO1)c(c(Cl)cc(c2C(=O)NCc3ccco3)Cl)c2,0.0
82575,CO-ADD:0250729,-28.64,N1(C=C(I)C(NC1=O)=O)C2OC(C(OC(=O)c3ccc(cc3)C)C2OC(C)=O)COC(=O)c4ccc(cc4)C,0.0
82576,CO-ADD:0253720,-28.68,c1(NC(COC)=CC2=O)n2ncc1c3ccccc3,0.0
82577,CO-ADD:0250658,-28.82,C(C(OC)=O)(C1c2ccccc2)=C(N)N(C(CCCC3=O)=C13)c4ccc(cc4)F,0.0
82578,CO-ADD:0250698,-29.04,S(=O)(=O)(N1CCCCCC1)c(ccc(c2C(=O)Oc3ccccc3Cl)Cl)c2,0.0
82579,CO-ADD:0256553,-29.07,C([N+](=O)[O-])(C1c2ccc(c(OC)c2)O)=C(N)OC(CC(C)(C)CC3=O)=C13,0.0
82580,CO-ADD:0253981,-29.09,C(/C1)(=C\c(cccc2[N+](=O)[O-])c2)\C(=O)\C(\CN1CCC)=C\c(cccc3[N+](=O)[O-])c3,0.0
82581,CO-ADD:0256500,-29.1,C1(C(OCCSCC)=O)=C(C)NC(NC1c(cc2OC)cc(c2O)Cl)=O,0.0
82582,CO-ADD:0253389,-29.17,c1(O2)c(c3c(NC2c4cc5c(cc4Br)OCO5)cccc3)nnc(SCCC)n1,0.0
82583,CO-ADD:0256934,-29.19,N1(c2c(C)ccc(C(O)=O)c2)C(=O)c(c3C1=O)ccc(C(=O)c(cccc4[N+](=O)[O-])c4)c3,0.0
82584,CO-ADD:0256527,-29.19,c1([N+](=O)[O-])nc(n(cc(C)n2CCCC(O)=O)c12)C,0.0
82585,CO-ADD:0256786,-29.26,[N+](=O)([O-])c1c(ccc(c1)C(F)(F)F)SCC(NCCOc2ccccc2)=O,0.0
82586,CO-ADD:0253481,-29.33,c1(CN(CC2)CCN2CC#N)n(C)c3c(cccc3)c1C#N,0.0
82587,CO-ADD:0253407,-29.4,c1(C#N)c(SC)nsc1N\N=C\c(ccc(c23)OCO2)c3,0.0
82588,CO-ADD:0255814,-29.69,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
82589,CO-ADD:0256823,-29.71,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Br)CC(=O)NCC3CCCCC3,0.0
82590,CO-ADD:0253641,-29.71,c1([nH]c(c(c2ccccc2)n1)c3ccccc3)c4c[nH]nc4c5ccccc5.CC(=O)O,0.0
82591,CO-ADD:0252708,-29.72,c12c(cc(CC)s1)C(NC(c(cc3)ccc3[N+](=O)[O-])S2)=O,0.0
82592,CO-ADD:0252425,-29.74,S(=O)(=O)(c1ccc(cc1)\N=C\c2ccccc2F)Nc3ccccn3,0.0
82593,CO-ADD:0252345,-29.82,N1(C2=O)C(C3N2C)N(CN(CC4)CN4C1)C(N3C)=O,0.0
82594,CO-ADD:0247921,-30.0,C1(C2=O)C(NN=C1C(OCC)=O)C(N2c3ccc(cc3)F)=O,0.0
82595,CO-ADD:0252228,-30.02,N1(c2cccc(cccc3)c23)C(=O)C(C(C1=O)C45\C=N\c6cccc(OC)c6)C(c(c47)cccc7)c(c58)cccc8,0.0
82596,CO-ADD:0247593,-30.04,c1(SCC(=O)Nc(cc2)ccc2Br)sc3c(ccc(c3)NC(c4ccccc4)=O)n1,0.0
82597,CO-ADD:0254869,-30.04,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c5ccccc5OC(c6ccccc6)=O,0.0
82598,CO-ADD:0254493,-30.2,N1(CC(OCCOC(C)=O)=O)C(=O)c(c2C1=O)cccc2,0.0
82599,CO-ADD:0249292,-30.21,s1c(c2ccc(cc2)Br)nnc1NC(OCC(C)C)=O,0.0
82600,CO-ADD:0249278,-30.42,c1(SCc(cc2)ccc2I)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
82601,CO-ADD:0255054,-30.46,c1(c(ccc(c1)C(F)(F)F)N\N=C(\CC2)/c3c(C2)cc(OC)cc3)[N+](=O)[O-],0.0
82602,CO-ADD:0255024,-30.5,N1C(=O)\C(\SC1=S)=C/c2ccccc2Sc(cc3)ccc3Cl,0.0
82603,CO-ADD:0254959,-30.53,C(COC1=O)(C2=O)=C1NC(=O)N2,0.0
82604,CO-ADD:0247625,-30.55,[N+](=O)([O-])c(cc1)ccc1\C(\C)=N\NCCO,0.0
82605,CO-ADD:0256318,-30.58,C(C#N)([C@@H](c1ccccc1C)[C@@H](S2)C(c3ccccc3)=O)=C2N,0.0
82606,CO-ADD:0255412,-30.66,N1(NC(=O)C2CC2)C(=O)C3C(C(c4ccccc4)C=CC3c5ccccc5)C1=O,0.0
82607,CO-ADD:0255877,-30.83,c1(c2ccccc2Cl)noc(C)c1C(NCCOc(cc3)ccc3Cl)=O,0.0
82608,CO-ADD:0255605,-30.85,N1(C(C)=O)C(C)CC(c(cccc2)c12)Nc3ccccc3,0.0
82609,CO-ADD:0255901,-30.92,C1(C(=O)OC(C)C)=C(C)NC(NC1c(cc2OC)cc(c2OC)OC)=O,0.0
82610,CO-ADD:0255894,-30.92,n1(c(C)ccc1C)c2cccc(c2)C(=O)N\N=C\c(ccc3c4ccc(cc4)Br)o3,0.0
82611,CO-ADD:0256535,-31.09,S(c1ccccc1)(=O)(=O)N(c2ccc(cc2)Br)CC(=O)N\N=C\c(cccc3C(F)(F)F)c3,0.0
82612,CO-ADD:0256808,-31.15,n1c(c2ccccc2)[nH]c(c3ccccc3)c1c(ccc(c45)c(c6C4=O)cccc6)c5,0.0
82613,CO-ADD:0256824,-31.24,n(c1c(n2)cccc1)(c3N)c2c(c(c4ccccc4F)c3C#N)C#N,0.0
82614,CO-ADD:0255685,-31.49,c1(Nc2ccccc2OC)sc(c(c3ccc(c(Cl)c3)Cl)n1)CCC,0.0
82615,CO-ADD:0255717,-31.61,[C@@]1(C#N)(C#N)[C@H](c2cccc(SC)c2)[C@@]([H])(C3)C(C(C#N)=C1N)=CCN3CCC,0.0
82616,CO-ADD:0255773,-31.72,C1(C(OC\C=C\C)=O)=C(C)NC(NC1c2ccc(c(OC)c2)O)=O,0.0
82617,CO-ADD:0255519,-31.79,n1(c2c(n3)cccc2)c3S\C(=C\c(cn(n4)Cc5ccc(cc5Cl)Cl)c4c6ccccc6)\C1=O,0.0
82618,CO-ADD:0255488,-31.8,N1(C(CC(C)(C)CC2=O)=C2C(C(C#N)=C1N)c(ccs3)c3)c4sc(c5c4C#N)CCCCC5,0.0
82619,CO-ADD:0250564,-31.9,C1(C#N)(C#N)C(c2ccc(cc2)SC)C(C3)C(C(C#N)=C1N)=CCN3CC,0.0
82620,CO-ADD:0256755,-32.09,n1(c2ccc(cc2C)C)c(c3ccc(cc3)Br)cc4c1CC(C)(C)CC4=O,0.0
82621,CO-ADD:0253749,-32.11,C1(C(OCCCC)=O)=C(C)NC(NC1c2ccc(c(OCC)c2)O)=O,0.0
82622,CO-ADD:0253584,-32.16,c1(Nc(ccc(c2F)C)c2)c(cc(cc1[N+](=O)[O-])C(=O)Nc(cc3)ccc3C(OCC)=O)[N+](=O)[O-],0.0
82623,CO-ADD:0254920,-32.23,S(=O)(=O)(N(CC1)CCO1)c2c(F)ccc(C(O)=O)c2,0.0
82624,CO-ADD:0252672,-32.7,c1(cc(ccc1C(=O)OCC(=O)c(cc2)ccc2c3ccccc3)[N+](=O)[O-])[N+](=O)[O-],0.0
82625,CO-ADD:0247829,-32.82,N1(NC(=O)Cc2cccc(cccc3)c23)C(=O)C(C4C1=O)C5C6(C4C=C5)CC6,0.0
82626,CO-ADD:0248236,-33.04,c1(SCC(=O)Nc(cc2)ccc2C(C)=O)sc3c(ccc(c3)NC(=O)c4cccc(cccc5)c45)n1,0.0
82627,CO-ADD:0247584,-33.19,N1(c2ccccc2)C(=O)c3c(N=C1SCC(=O)Nc4cccc(C)c4C)cccc3,0.0
82628,CO-ADD:0254449,-33.21,C12(C=Cc(c(c(OC)cc3[N+](=O)[O-])O1)c3)c4c(cccc4)c(c5N2C)cccc5,0.0
82629,CO-ADD:0252239,-33.32,n1(nnc(C(=O)N\N=C\c2ccccc2[N+](=O)[O-])c1CN(CC3)CCO3)c4nonc4N,0.0
82630,CO-ADD:0254788,-33.4,n1c(N2CCCC2)nc(nc1N(CC3)CCO3)N\N=C\C=C\c(cc4)ccc4N(C)C,0.0
82631,CO-ADD:0247734,-33.42,c1(cc(ccc1[N+](=O)[O-])NP(OC)(OC)=O)C(F)(F)F,0.0
82632,CO-ADD:0254596,-33.58,C(/CC(=O)c1cccs1)(=N\NC(=O)c2ccccc2Br)\C(F)(F)F,0.0
82633,CO-ADD:0254994,-33.76,c1(N2CCCCC2)sc(c(ccc3[N+](=O)[O-])n1)c3,0.0
82634,CO-ADD:0255056,-33.84,n(c(cc1)c([nH]2)cc1C(=O)N\N=C\c3ccccn3)c2C.Cl,0.0
82635,CO-ADD:0248949,-33.95,N(CCc(c12)cccc1)(Cc(cc3)ccc3C(=O)N\N=C\c(cc4)ccc4C(OC)=O)C2,0.0
82636,CO-ADD:0254076,-33.96,C(C(OC)=O)(C1c2ccc(cc2)Cl)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)F,0.0
82637,CO-ADD:0253320,-33.97,C1(C(C)(C)N(C(=S)S1)C)N(C(c2ccccc2)C(C3C(N4c5ccc(cc5)OC)=O)C4=O)O3,0.0
82638,CO-ADD:0253591,-34.14,c1(cc(cc(C(O)=O)c1Nc(ccc(c2Cl)C)c2)[N+](=O)[O-])[N+](=O)[O-],0.0
82639,CO-ADD:0250682,-34.39,C(=O)(Oc(cc1)ccc1C(=S)N(CC2)CCO2)c3ccccc3Cl,0.0
82640,CO-ADD:0250731,-34.65,S(=O)(=O)(c(cccc1C(=O)Oc(cccc2NC(=O)c3ccc(cc3)OC)c2)c1)N(CC4)CCO4,0.0
82641,CO-ADD:0256530,-35.09,C(=N\OC(=O)c(cc1)ccc1[N+](=O)[O-])(/C=C(C)C(C2Br)=O)\C2Br,0.0
82642,CO-ADD:0255603,-35.2,C(=O)(c1ccco1)N(CC2)CCN2C(=O)c3ccc(cc3)OC,0.0
82643,CO-ADD:0256430,-35.38,n1(c2ccccc2)c(COc(cc3)ccc3C4CCCCC4)nnc1SCC(=O)N(CC)CC,0.0
82644,CO-ADD:0257150,-35.39,c12c(nnc(SCC(=O)Nc3nnc(CCC)s3)n1)c4c(cccc4)n2C,0.0
82645,CO-ADD:0256358,-35.77,n1(\N=C\c(cc(I)cc2I)c2O)nnnc1N,0.0
82646,CO-ADD:0256368,-35.98,n1c(c2ccccc2)nnn1CC(=O)N\N=C\c3cc(Cl)ccc3O,0.0
82647,CO-ADD:0250151,-36.08,c1(ccccc1OCC(=O)N\N=C/c(cc2)ccc2OCc3ccccc3)C(=O)N\N=C\c(cc4)ccc4OCc5ccccc5,0.0
82648,CO-ADD:0250492,-36.62,N1(c2ccc(cc2)OC)C(=O)\C(\SC1=S)=C/c(cc3)ccn3,0.0
82649,CO-ADD:0250069,-36.73,S(C)(=O)(=O)N(c1ccc(cc1)Oc2ccccc2)CC(=O)N(CC3)CCO3,0.0
82650,CO-ADD:0250007,-36.87,c1(non2)c2nc(Nc3cccc(C)c3)c(Nc4ccccc4I)n1,0.0
82651,CO-ADD:0256593,-36.92,c1(NC(=O)C(CC)OC(=O)\C=C\c(cc2)ccc2[N+](=O)[O-])sc(c3c1C#N)CCCC3,0.0
82652,CO-ADD:0253483,-36.94,n1(nnc(C(OCC)=O)c1Cn2c3c(nn2)cccc3)c4nonc4N,0.0
82653,CO-ADD:0255875,-37.11,c1(SC\C=C\c(cc2)ccc2[N+](=O)[O-])sc3c(ccc(OCC)c3)n1,0.0
82654,CO-ADD:0253017,-37.15,C(C(OCC)=O)(C1c2ccc(C(C)(C)C)s2)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4cccc(c4)[N+](=O)[O-],0.0
82655,CO-ADD:0253106,-38.25,c12c(nnc(SCC(=O)Nc3ccccn3)n1)c4c(cccc4)n2CC=C,0.0
82656,CO-ADD:0254914,-38.31,c1(SC(C)C(=O)N\N=C\c(cc2)ccc2C(OC)=O)nc(C)cc(C)n1,0.0
82657,CO-ADD:0247557,-39.01,c1(NC(=O)c2ccc(cc2)Br)sc(c(C)c1C(OCC)=O)C(=O)Nc3ccccc3,0.0
82658,CO-ADD:0254906,-39.12,C1(C2c3ccc(cc3)OC)=C(CC(C)(C)CC1=O)N(C(CC(C)(C)CC4=O)=C24)C,0.0
82659,CO-ADD:0254565,-39.45,C(=C/c(cc1I)cc(c1OCC=C)I)(/C(=O)NC(N2)=S)\C2=O,0.0
82660,CO-ADD:0252244,-39.53,c1(SCC(=O)N\N=C\c(cc2)ccc2C(O)=O)sc(c3n1)cccc3,0.0
82661,CO-ADD:0252967,-39.68,n1c(C)c(C)c(c(ccc(cccc2)c23)c13)C,0.0
82662,CO-ADD:0255174,-39.8,c12c(non1)nc(Nc(ccc(c3N4)NC4=O)c3)c(N\N=C\c5cc(OCO6)c6cc5[N+](=O)[O-])n2,0.0
82663,CO-ADD:0248849,-39.9,C(=N/c1ccccc1)(/SC(C2=O)CC(=O)Nc3ccccc3[N+](=O)[O-])\N2CCCc4ccccc4,0.0
82664,CO-ADD:0248838,-39.91,c(c(Cl)c1Cl)(c(Cl)c(c1C(CC(O2)c3ccccc3)=N2)Cl)C(CC(O4)c5ccccc5)=N4,0.0
82665,CO-ADD:0249279,-39.92,c1(SCC(=O)NC2CCCCC2)sc3c(ccc(c3)\N=C\c4c(cccc4Cl)Cl)n1,0.0
82666,CO-ADD:0249245,-41.05,N(c1ccc(cn1)Cl)(C(=O)C(C2C3(Br)c4c5cccc4)C5(Br)c6c3cccc6)C2=O,0.0
82667,CO-ADD:0249748,-41.36,C(=C/c(cc1)ccc1OC(C)C)(/C(NCCC(O)=O)=O)\NC(c2ccccc2)=O,0.0
82668,CO-ADD:0250182,-41.76,n1(c2cc(C)ccc2Oc3ccc(cc3[N+](=O)[O-])C(=O)c(cc4)ccc4[N+](=O)[O-])nc(c5n1)cccc5,0.0
82669,CO-ADD:0256992,-41.92,N1(CN(CC2)CCN2c3ccccc3)c(cccc4)c4\C(=N\c(ccc(c5Cl)C)c5)\C1=O,0.0
82670,CO-ADD:0250474,-42.86,C(CSCc(cc1)ccc1OC)(=O)N\N=C\c(ccc(c2OC)OC)c2,0.0
82671,CO-ADD:0255749,-42.99,C1(C(OCCC)=O)=C(C)NC(NC1c2ccc(c(OC)c2)OCC)=O,0.0
82672,CO-ADD:0255789,-43.68,C1(C(OCC)=O)=C(C)NC(NC1c2ccccc2OCCCC)=O,0.0
82673,CO-ADD:0250467,-43.72,C(C)(NC(=O)Oc(cc1)ccc1C(C)(C)CC(C)(C)C)(C(F)(F)F)C(F)(F)F,0.0
82674,CO-ADD:0250726,-44.34,C(=C\c1cccc(Br)c1)(/C(=O)NN2c3ccccc3)\C2=O,0.0
82675,CO-ADD:0250261,-44.57,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c4cc(Br)cc(I)c4O)\C1=O)=NC(C)=C2C(OCC)=O,0.0
82676,CO-ADD:0255422,-44.67,S(=O)(=O)(N(CC1)CCO1)c2ccc(cc2Br)Cl,0.0
82677,CO-ADD:0255424,-44.84,S(=O)(=O)(N(CC1)CCO1)c2ccc(cc2C)Br,0.0
82678,CO-ADD:0255537,-45.48,c12n(ncn1N)c(nn2)SCc(cc3)ccc3C(OC)=O,0.0
82679,CO-ADD:0255374,-45.7,C(c(ccc(c12)OCO1)c2)(NC(=O)\C=C\c3ccccc3)NC(=O)\C=C\c4ccccc4,0.0
82680,CO-ADD:0250263,-45.88,C(=O)(NC1CC1)\C=C\c2ccccc2,0.0
82681,CO-ADD:0256247,-46.37,[N+](=O)([O-])c(c(C)c1)cc(c1N(CC2)CCN2CCC#N)F,0.0
82683,CO-ADD:0257063,-46.95,C(=O)(Nc(cc1)ccc1CCCC)C(NCCCn(ccn2)c2)=O,0.0
82684,CO-ADD:0255406,-47.55,c1(C(F)(F)F)nc(sc1c2ccc(cc2)F)Nc(cc3)ccc3Br,0.0
82685,CO-ADD:0255993,-47.9,C1(C)(OCCCO1)CC(=O)N\N=C\c(cc2)ccc2C#N,0.0
82686,CO-ADD:0252452,-48.96,S(N)(=O)(=O)c1ccc(cc1)NC(COC(=O)C(C(C)C)NC(c2ccccc2)=O)=O,0.0
82687,CO-ADD:0253047,-49.1,c(cc(cc1[N+](=O)[O-])C(F)(F)F)([N+](=O)[O-])c1N(CC2)CCN2CCO,0.0
82688,CO-ADD:0254858,-49.17,C12=C(CC(C)(C)CC1=O)c3c(ccc(cccc4)c34)NC2c(cc5)cc(c5OC(C)=O)OCC,0.0
82689,CO-ADD:0247814,-49.59,Cc(cccc1C(=O)O\N=C(/C(C)CN(C)C2C)\C2)c1.Cl,0.0
82690,CO-ADD:0248097,-50.52,c1(c2ccc(OCC(=O)OC\C(\c3ccc(cc3)Br)=N\O)c1)OC(C=C2C)=O,0.0
82691,CO-ADD:0247982,-54.04,n1c(c2ccc(c(C)c2)C)csc1Nc(cc3)ccc3C.Br,0.0
82692,CO-ADD:0247991,-55.61,N1(c2cc(C)ccn2)C(C)(O)C(OC1=O)(C)C,0.0
82693,CO-ADD:0249466,-55.94,N(=C(/C)\C(C)(C)CC(O)=O)/NC(N)=O,0.0
82694,CO-ADD:0249005,-56.63,c1(Sc2ccc(cc2[N+](=O)[O-])C(F)(F)F)[nH]c(c3n1)ccc(OC)c3,0.0
82695,CO-ADD:0249711,-56.75,[N+](=O)([O-])c1ccccc1\C=N\NC(=S)Nc(cc2)ccc2C,0.0
82696,CO-ADD:0249118,-56.8,N1(C2c3ccccc3)C(S\C(=C\c(cc4)ccn4)\C1=O)=NC(C)=C2C(OCC)=O,0.0
82697,CO-ADD:0254763,-62.68,n1(c2ccccc2)c(SCC(=O)Nc(ccc(c3[N+](=O)[O-])F)c3)nnc1c4ccc(c(OC)c4)OC,0.0
82698,CO-ADD:0248951,-68.48,S(=O)(=O)(N(CC)CC)c1c(Br)ccc(c1)C(=O)Nc2ccccn2,0.0
82699,CO-ADD:0253841,-72.86,C1(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(cc2)F)OC(N(C)C)=N1,0.0
82700,CO-ADD:0253905,-73.91,N1(CN(CC2)CCN2C(OCC)=O)c3c(C(=O)C1=O)cc(Br)cc3,0.0
82701,CO-ADD:0255830,-74.8,n1(ccnc1C)C(=O)c2ccc(cc2Cl)[N+](=O)[O-],0.0
82702,CO-ADD:0250603,-77.96,c1(c(O)ccc(cccc2)c12)\C=N\c(c3)c(ccc3C(F)(F)F)Oc4ccccc4c5ccccc5,0.0
82703,CO-ADD:0256979,-78.48,C12=C(C(NC(c3ccccc3Cl)N1)=O)SC(=S)N2c4ccccc4,0.0
82704,CO-ADD:0253935,-104.76,c1(SSc2c(Cl)c(Cl)c(c(Cl)n2)Cl)c(Cl)c(Cl)c(c(Cl)n1)Cl,0.0
82705,CO-ADD:0250219,-213.7,c1(c2nc3c(cccc3)n1)\C(=N/NC(N)=O)\c4c2cccc4,0.0
82706,CO-ADD:0253630,0.0,N1c(ccc(c2)C)c2C3C(CC=C3)C1c(cc4)ccc4C(OC)=O,0.0
82707,CO-ADD:0253711,0.0,C(C(OC)=O)(=C1C)\C(=C\c2cccc(Br)c2)\C(N1CC=C)=O,0.0
82708,CO-ADD:0249881,0.0,N1(C(CCCC2=O)=C2C(C(C#N)=C1N)c(ccs3)c3)c4sc(c5c4C#N)CCCCC5,0.0
82709,CO-ADD:0256363,0.0,n1(CC(=O)N\N=C\c(c2)c(N(CC3)CCO3)cc(N(CC4)CCO4)c2[N+](=O)[O-])nnnc1N,0.0
82710,CO-ADD:0255746,0.0,C1(C(=O)OCC2CCCO2)=C(C)NC(=O)NC1c(cc3)ccc3[N+](=O)[O-],0.0
82711,CO-ADD:0253847,0.0,C1(N(CC(=O)N\N=C(\CC2)/CCC2C(C)(C)C)S(c3ccccc3)(=O)=O)=C(C)N(N(c4ccccc4)C1=O)C,0.0
82712,CO-ADD:0255788,0.0,C1(C(=O)OCC2CCCO2)=C(C)NC(NC1c(cccc3[N+](=O)[O-])c3)=O,0.0
82713,CO-ADD:0250057,0.0,N1(c2c(Cl)cc(cc2Cl)Cl)C(=O)\C(\C(NC(=O)c(cccc3[N+](=O)[O-])c3)=N1)=C\c(cc4)ccc4O,0.0
82714,CO-ADD:0250585,0.0,C(N)(=O)SCC(=O)Nc(cc1)ccc1C(C)=O,0.0
82715,CO-ADD:0256240,0.0,C1(c2ccccc2)(N3)C(c4ccccc4)(N=C(S\C(=C\c5ccccc5F)\C6=O)N36)N(C(=O)N1C)C,0.0
82716,CO-ADD:0256288,0.0,n1c(c2ccc(cc2)F)csc1\C(\C#N)=C\c3sccc3C,0.0
82717,CO-ADD:0254667,0.0,c1(C#N)c2c(sc1\N=C\c(ccc(c3OC)OCC(O)=O)c3)CCC2,0.0
82718,CO-ADD:0252511,0.0,c1(c2ccccc2Cl)nnn(CC(=O)N\N=C\c(c3)c(N4CCCCC4)cc(N5CCCCC5)c3[N+](=O)[O-])n1,0.0
82719,CO-ADD:0255117,0.0,c(c(OC)c1)(c(OC)cc1C(=S)N(CC2)CCO2)OC(c3ccccc3)=O,0.0
82720,CO-ADD:0255102,0.0,[B]1234([H])[B]56([B]17([B]58([C]69%10([B]8%11([B]9%12%13([B]2%14%15%16[H])[H])([B]%12%14%17%18[H])[H])C(NCCC(O)=O)=O)([C]7%11%17%19C(NCCC(O)=O)=O)[H])([B]3%15%18%19[H])[H])([B]4%10%13%16[H])[H],0.0
82721,CO-ADD:0248857,0.0,C(=O)(N\N=C\c1ccccc1OCC)C(C)Oc2cccc(Cl)c2,0.0
82722,CO-ADD:0252813,0.0,N1(c2ccc(cc2)CC)C(c(ccc(c34)OCO3)c4)Nc(c5C1=O)cccc5,0.0
82723,CO-ADD:0252506,0.0,n1c(c2ccccc2)cc(\N=C\c(cc3)ccc3C#N)n1c4ccccc4,0.0
82724,CO-ADD:0249425,0.0,N1(c2c(C)ccc(c2)[N+](=O)[O-])C(=O)C(C3C1=O)C4\C(\C3C=C4)=C(\C)/C,0.0
82725,CO-ADD:0249101,0.0,N12C(=NCC1)SC=C2c3ccc(cc3)CC(C)C.Br,0.0
82726,CO-ADD:0252858,0.0,C(C(OCCOC)=O)(C(c1ccc(cc1)Br)N2)=C(C)N(C2=O)C,0.0
82727,CO-ADD:0249300,0.0,N1(c2ccccc2)C(=O)\C(\C=C1c3ccccc3)=C\c(cc4)ccc4[N+](=O)[O-],0.0
82728,CO-ADD:0249281,0.0,c1(SCC(NCCCC)=O)sc2c(ccc(c2)NC(=O)c3ccc(cc3)Cl)n1,0.0
82729,CO-ADD:0249016,0.0,c1(nccn1C)Sc2ccc(cc2[N+](=O)[O-])\C=N\NC(=O)c3ccccc3O,0.0
82730,CO-ADD:0249331,0.0,C(C#N)(C(c1ccc(C(C)(C)C)s1)C2=C(N3c4ccc(cn4)Br)CC(C)(C)CC2=O)=C3N,0.0
82731,CO-ADD:0252325,0.0,c1(Nc2ccccc2)nc(C)cc(COC)c1C(N)=O,0.0
82732,CO-ADD:0249272,0.0,c1(SCC(=O)Nc2ccccc2)sc3c(ccc(c3)\N=C\c4cc(I)ccc4O)n1,0.0
82733,CO-ADD:0249088,0.0,C(C(OCC)=O)(C1c2ccc(c(OC)c2)OC)=C(N)N(C(CC(C)(C)CC3=O)=C13)c4ccc(cc4)F,0.0
82734,CO-ADD:0254748,0.0,c1(cc(\C=N\NC(=O)c(cccn2)c2)c(cc1N3CCCCC3)N4CCCCC4)[N+](=O)[O-],0.0
82735,CO-ADD:0256244,0.0,c1(n2)c(C(N(C)C(=O)N1C)=O)n(c2n3c(C)cc(C)n3)C,0.0
82736,CO-ADD:0256541,0.0,c1(SCC(=O)Nc2c(C)ccc(Cl)c2)sc3c(ccc(c3)NC(=O)c4ccccc4Cl)n1,0.0
82737,CO-ADD:0256933,0.0,N(\N=C\c(cc1)ccc1OC)(C(=O)CN2C(C)C)C2c3ccc(cc3)OC,0.0
82738,CO-ADD:0256957,0.0,C(=C/c(ccc(c1O)OC)c1)(/C#N)\C#N,0.0
82739,CO-ADD:0256373,0.0,n1(\N=C\c(c2)c(N3CCCCC3)cc(N4CCCCC4)c2[N+](=O)[O-])nnnc1N,0.0
82740,CO-ADD:0256439,0.0,N(CN1CCC(CC1)C)(N=C(N2c3ccccc3)c(cc4)ccc4C(C)(C)C)C2=S,0.0
82741,CO-ADD:0250161,0.0,C(F)(F)(F)c(ccc(n1)N\N=C\c2ccc(cc2O)O)c1,0.0
82742,CO-ADD:0253345,0.0,n(c(cc1)c([nH]2)cc1C(=O)N\N=C(\c(cccc3)c34)/C=C(C4=O)C)c2C,0.0
82743,CO-ADD:0256936,0.0,N1(c(cc2)ccc2c(cc3)ccc3[N+](=O)[O-])C(=O)c4c(cc(cc4)Oc(cc5)ccc5[N+](=O)[O-])C1=O,0.0
82744,CO-ADD:0255996,0.0,N1(c2ccccc2C(F)(F)F)C(CCCC3=O)=C3C(C(C(OCC)=O)=C1N)c4ccccc4,0.0
82745,CO-ADD:0256732,0.0,C(=O)(Nc(cc1)ccc1OC)C(NCCN(CC2)CCO2)=O,0.0
82746,CO-ADD:0250229,0.0,c1(c(C)cccc1C)NC(CSCc(cc(C)cc2C)c2)=O,0.0
82747,CO-ADD:0250397,0.0,n12c(S\C(=C/c(ccc(c3OC)OCc(cc4)ccc4C)c3)\C1=O)nc(cc(C)c(C)c5)c25,0.0
82748,CO-ADD:0255387,0.0,N1(C2c3ccc(c4c3)OCO4)C(S\C(=C\c(ccc(c5I)OC)c5)\C1=O)=NC(C)=C2C(OCC)=O,0.0
82749,CO-ADD:0250685,0.0,C(=O)(Nc1cccc(Cl)c1)C(c2ccccc2)NC(COc3ccc(cc3Cl)Cl)=O,0.0
82750,CO-ADD:0256533,0.0,S(=O)(=O)(c1ccc(cc1)Cl)NC(C(Cl)(Cl)Cl)c2ccc(c3c2cccc3N(C)C)N(C)C,0.0
82751,CO-ADD:0254022,0.0,N1(C2c(cc3)ccc3N(C)C)C(S\C(=C\c(cc4)ccc4OCc5ccccc5Cl)\C1=O)=NC(C)=C2C(OCC)=O,0.0
82752,CO-ADD:0254302,0.0,S(=O)(=O)(c1ccc(cc1)Cl)N2CCC(CC2)C(=O)OCc(cc3)ccc3[N+](=O)[O-],0.0
82753,CO-ADD:0254726,0.0,N12C(SC(C(C)C)=N1)=NC(O)=CC2=O,0.0
82754,CO-ADD:0255128,0.0,S(=O)(=O)(c1ccc(cc1)C)N(Cc2ccccc2)c3ccccc3C(=O)N\N=C(\CCCC4)/C4,0.0
82755,CO-ADD:0254376,0.0,N1(c2ccccc2)\C(=N/c3ccccc3)\S\C(=C/c4c(cccc4Cl)Cl)\C1=O,0.0
82756,CO-ADD:0252344,0.0,C12(c3c(cccc3)C(=NN1c4ccccc4)c5ccc(cc5)Cl)SC(=NN2c6ccccc6)C(C)=O,0.0
82757,CO-ADD:0252267,0.0,c1(C#N)c(CCC(C2)C(C)(C)C)c2sc1\N=C\c(cccn3)c3,0.0