| SMILES,Ki |
| CN1CCN(C2=Nc3ccccc3Nc3sc(CO)cc32)CC1,-0.7781512503836436 |
| Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,-0.6229001634676494 |
| Cc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1,-1.3424226808222062 |
| Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[N+](C)([O-])CC1,-1.9395192526186185 |
| CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](N)CO)C2)cc1,-4.633468455579586 |
| Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,-3.740362689494244 |
| CC(=O)c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1,-4.146128035678238 |
| O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1)C1CC1,-3.963787827345555 |
| CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,-3.361727836017593 |
| CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3csc(-c4cccnc4)n3)C2)cc1,-4.041392685158225 |
| CCc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,-3.361727836017593 |
| CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)cc1,-4.113943352306837 |
| Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1,-3.8195439355418688 |
| CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cccnc3)C2)cc1,-3.869231719730976 |
| N#Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1,-3.949390006644913 |
| O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3F)C2)cc1)C1CC1,-3.973127853599699 |
| O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3)C2)cc1)C1CC1,-3.5563025007672873 |
| O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1)C1CC1,-3.3979400086720375 |
| Cn1cnc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1,-4.959041392321094 |
| O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3Cl)C2)cc1)C1CC1,-3.653212513775343 |
| O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1,-3.1760912590556813 |
| O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1)C1CC1,-3.9590413923210934 |
| N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1,-3.792391689498254 |
| CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cnccn3)C2)cc1,-4.0 |
| O=C(N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1)c1csc(-c2cccnc2)n1,-4.568201724066995 |
| N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,-4.301029995663981 |
| O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1)C1CC1,-3.770852011642144 |
| Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1,-4.204119982655925 |
| COc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1,-3.643452676486187 |
| C[C@@H]1OC(=O)N(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)c(F)c1,-1.7323937598229686 |
| CC1CCCC(C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1,-3.59999981394342 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC)cc3)cc2)CC1,-2.5499958515306513 |
| N#Cc1ccc(-c2ccc(OCCCN3CCCC(O)C3)cc2)cc1,-3.889999934748613 |
| N#Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1,-3.510000460433903 |
| CC1CCCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1,-3.540000187311 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3C)cc2)CC1,-1.4399639359209049 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3c[nH]cn3)cc2)CC1,-3.170000473264351 |
| N#Cc1ccc(-c2ccc(OCCCN3CC4CNCC4C3)cc2)cc1,-3.4599997736502672 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1,-2.200001865406602 |
| CC1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1,-2.6300004899009117 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1,-2.640004146531061 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3ccsc3)cc2)CC1,-2.880001388321769 |
| CC1CCCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,-2.4399954739538083 |
| CN[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,-3.569999732203945 |
| N#Cc1ccc(-c2ccc(OCCCN3CCCNCC3)cc2)cc1,-3.5899998381415923 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3cccc(C#N)c3)cc2)CC1,-2.58000068958904 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Br)cc3)cc2)CC1,-2.259999795081887 |
| N#Cc1ccc(-c2ccc(OCCCN3CCNCC3)cc2)cc1,-3.950000030146585 |
| N#Cc1ccc(-c2ccc(OCCCN3CCC(O)CC3)cc2)cc1,-2.76000004729273 |
| C[C@@]1(O)CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,-3.5899998381415923 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Cl)cc3)cc2)CC1,-2.5499958515306513 |
| N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](N)C3)cc2)cc1,-4.139999916751019 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC1,-2.2099972960823693 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3cc[nH]c3)cc2)CC1,-2.7000023971422538 |
| N#Cc1ccc(-c2ccc(OCCCN3CCC(N)CC3)cc2)cc1,-3.549999523574668 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1,-1.909983694939844 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3cccs3)cc2)CC1,-2.6499965074660414 |
| CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1,-3.279999836361079 |
| C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1,-2.749998976558349 |
| CCOC(=O)N1CCN(CCCOc2ccc(-c3ccncc3)cc2)CC1,-3.569999732203945 |
| N#Cc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1,-3.6999997975545824 |
| O=C(c1ccc(F)cc1)C1CCN(CC2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1,-0.2787536009528289 |
| CN1CCN(CC2C[C@@H]3c4ccccc4Sc4ccccc4[C@H]3O2)CC1,-0.0791812460476248 |
| CN(C)CC1C[C@@H]2c3ccccc3Sc3ccccc3[C@H]2O1,-0.6334684555795865 |
| c1ccc(C2CCN(CC3C[C@@H]4c5ccccc5Sc5ccccc5[C@H]4O3)CC2)cc1,-1.6730209071288962 |
| OCCN1CCN(CC2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1,-0.568201724066995 |
| CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1,0.1938200260161128 |
| Clc1cccc(N2CCN(CC3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)c1,-2.673020907128896 |
| CN(C)CC1C[C@@H]2c3ccccc3N(C)c3ccccc3[C@H]2O1,-0.7781512503836436 |
| CN1CCN(CC2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1,-0.4771212547196624 |
| CN(C)CC1C[C@@H]2c3ccccc3OCc3ccccc3[C@H]2O1,-0.9822712330395684 |
| CN(C)CC1C[C@@H]2c3ccccc3COc3ccccc3[C@H]2O1,-1.3138672203691537 |
| c1ccc(C2CCN(CC3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)cc1,-1.4727564493172125 |
| c1ccc2c(c1)Cc1ccccc1[C@H]1CC(CN3CCOCC3)O[C@H]21,-0.3729120029701065 |
| C[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,-2.949390006644913 |
| OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,-1.102426844734853 |
| CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,-0.6226859508630944 |
| CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,-0.3031960574204888 |
| C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1,-3.370000219475116 |
| CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1,0.0900163050601559 |
| CN1CCCC1CCNc1c2c(nc3ccccc13)CCCCC2,-3.0 |
| C(#Cc1c2c(nc3ccccc13)CCCCC2)CCN1CCCCC1,-4.196811542662677 |
| CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1,-0.8599784416420208 |
| CN(C)CCCNc1c2c(nc3ccccc13)CCCCC2,-3.886265059029757 |
| c1ccc2c(NCCCN3CCCC3)c3c(nc2c1)CCCCC3,-3.6111920608684343 |
| CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1,-1.4599952560473914 |
| CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,-3.187520720836463 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC(C)C)cc2)CC1,-2.969997998598342 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)Cc3ccccc3)cc2)CC1,-2.969997998598342 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,-2.4399954739538083 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCOCC3)CC2)cc1,-3.619999600500459 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CCC3)CC2)cc1,-2.5499958515306513 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(C)c3)cc2)CC1,-2.58000068958904 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)C(C)C)CC2)cc1,-4.049999824155409 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CCC)CC2)cc1,-2.9399982099121624 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(CCCC)CC2)cc1,-2.8199977335107764 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1,-1.7800291273373383 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1,-2.320000804264728 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccc3)CC2)cc1,-2.459995256047391 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1,-3.349999779126545 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CC)CC2)cc1,-3.279999836361079 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC)cc2)CC1,-3.220000809286663 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(S(C)(=O)=O)CC2)cc1,-4.420000001338187 |
| CCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,-2.8699998586345257 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3sccc3Cl)CC2)cc1,-1.899984562549391 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1,-4.130000037799257 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CCCCC3)cc2)CC1,-2.780000298336571 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1,-2.749998976558349 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NCC)CC2)cc1,-3.1999991251967965 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccc(C)s3)CC2)cc1,-1.989983458301399 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC)CC2)cc1,-3.030000281592104 |
| CC(C#Cc1ccc(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1)N(O)C(N)=O,-2.278753600952829 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccncc3)CC2)cc1,-2.67999991622922 |
| C=C(C)C(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,-2.9900012350346614 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(CC(C)C)CC2)cc1,-2.6600017201028834 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC(C)C)CC2)cc1,-2.4399954739538083 |
| NC(=O)N(O)CCC#Cc1ccc(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1,-2.1760912590556813 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(CCC)CC2)cc1,-3.5299997998772934 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnco3)CC2)cc1,-3.630000489900912 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3ccc(OC)cc3)cc2)CC1,-2.79000352039049 |
| CCCCCC(=O)c1ccc(OCCCN2CCNCC2)cc1,-3.780000298336571 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCCC3)CC2)cc1,-3.020000602192583 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccco3)CC2)cc1,-2.60000308662774 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NC(C)C)CC2)cc1,-3.0799983980783527 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(C)=O)cc2)CC1,-3.349999779126545 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(OC)cc3)cc2)CC1,-2.909999724213982 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCCCC)CC2)cc1,-2.76000004729273 |
| COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,-0.3489535479811639 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3occc3C)CC2)cc1,-2.019988159591285 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1,-2.5499958515306513 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccn3)CC2)cc1,-2.620000642300068 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CC3)CC2)cc1,-3.2500001440812936 |
| CCCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,-2.7000023971422538 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)Cc3ccccc3)CC2)cc1,-1.749968083509403 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CSCC)CC2)cc1,-3.0400007144733197 |
| NC(=O)N(O)Cc1ccc(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)o1,-0.6020599913279624 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(F)c3F)cc2)CC1,-3.0099987300480606 |
| NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)O1,-2.8195439355418688 |
| CCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1,-2.749998976558349 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-3.150000754922137 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccs3)CC2)cc1,-1.869994000121742 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnccn3)CC2)cc1,-3.3100004371855043 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3cccnc3)cc2)CC1,-2.6300004899009117 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccn3C)CC2)cc1,-1.749968083509403 |
| NC(=O)N(O)CCC#Cc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)o1,-2.7403626894942437 |
| CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(SC)cc3)cc2)CC1,-2.6499965074660414 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)(C)O)CC2)cc1,-4.3299999818189825 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccnc3)CC2)cc1,-2.8600024219010978 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)C)CC2)cc1,-3.59999981394342 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3c[nH]cn3)CC2)cc1,-2.720002101717151 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC(C)C)CC2)cc1,-2.490000641890952 |
| CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1,-2.6910814921229687 |
| O=C(c1ccc(OCCCN2CCN(C(=O)C[C@H]3CCCN3)CC2)cc1)C1CC1,-4.980000006356922 |
| N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-3.989999901804907 |
| N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-5.0 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)N)CC2)cc1,-4.550000013178191 |
| N[C@H](CC1CCCCC1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.1600000688813 |
| NCCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.450000010591701 |
| N[C@H](Cc1cccc2ccccc12)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-3.2999994961169836 |
| CN[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)C(C)C,-4.540000062059139 |
| CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-3.740000099688547 |
| CC(C)(C)[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.340000074650098 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1,-3.830000015807418 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC2)cc1,-4.230000088876488 |
| CNCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-5.0 |
| CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CO)CC2)cc1,-4.669999961664622 |
| N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.0 |
| N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.980000006356922 |
| N[C@H](Cc1cc2ccccc2s1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-3.6400001669061024 |
| CC[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-3.6699998688140902 |
| O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCCN3)CC2)cc1)C1CC1,-4.569999965987769 |
| N[C@@H](C(=O)O)C1Cc2ccccc2C1,-4.029999876284985 |
| CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.669999961664622 |
| CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.130000037799257 |
| N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-3.969999860022617 |
| N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.079999843002943 |
| CC(C)(C)C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.010000003276115 |
| C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-3.910000258512931 |
| N#CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.660000009867248 |
| CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.209999973928854 |
| N[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)c1ccccc1,-3.6599998198406505 |
| CC(C)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.669999961664622 |
| N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-3.989999901804907 |
| CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1,-4.669999961664622 |
| CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,-2.5998830720736876 |
| CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,-1.9590413923210936 |
| CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,-2.4800069429571505 |
| CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,-2.550228353055094 |
| CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,-1.7634279935629371 |
| CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3C#N)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,-2.7895807121644256 |
| CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,-1.2787536009528289 |
| CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,-1.7993405494535817 |
| CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,-2.03342375548695 |
| COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccccc4)CC3)[C@@H]1CO2,-2.05307844348342 |
| COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(Cc4ccc5ccccc5c4)CC3)[C@@H]1CO2,-2.6627578316815743 |
| Cn1ccc2c1CCn1ccnc1C2=C1CCNCC1,-1.3424226808222062 |
| Cn1ccc2c1C(=O)Cn1ccnc1C2=C1CCNCC1,-1.0791812460476249 |
| COC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,-0.6998377258672457 |
| CC(C)COC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,-0.8802417758954804 |
| O=C(OCc1ccccc1)N(O)CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,-1.250420002308894 |
| CCOC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,-0.7701152947871016 |
| CC(C)OC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,-0.9800033715837464 |
| NC(=O)N(O)CCC#Cc1ccc(OCCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1,-1.2787536009528289 |
| NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1,-1.146128035678238 |
| NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1,-1.6989700043360187 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,-0.0927206446840991 |
| NC(=O)N(O)CCC#Cc1ccc(OCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,-2.484299839346786 |
| NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,-0.9542425094393248 |
| NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,-1.4771212547196624 |
| NC(=O)N(O)CCC#Cc1ccc(OCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,-2.469822015978163 |
| NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,-2.037426497940624 |
| CN1CCN2c3ncccc3Cc3ccccc3C2C1,-0.2041199826559248 |
| CN1CCN2c3ccccc3Cc3ccccc3C2C1,0.0280287236002435 |
| CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1,-1.6232492903979006 |
| CN(C)C/C=C1\c2ccccc2COc2ccc(CC(=O)O)cc21,-1.041392685158225 |
| O=C(O)Cc1ccc2c(c1)/C(=C\CN1CCC(Cc3ccccc3)CC1)c1ccccc1CO2,-1.3010299956639813 |
| CN(CCCCc1c[nH]cn1)CCC(c1ccc(Cl)cc1)c1ccccn1,-0.8450980400142568 |
| Cn1c(=O)cnn(CCCCN2CCN(c3cccc4ccc(O[11CH3])cc34)CC2)c1=O,-2.1760912590556813 |
| COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1,-2.9237619608287004 |
| O=C(CCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,-3.9434945159061026 |
| CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1,-0.889973638403996 |
| COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4ccc(F)cc4)CC3)[C@@H]1CO2,-1.869231719730976 |
| CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC,-2.795184589682424 |
| CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1Cl,-2.4313637641589874 |
| O=C(c1ccc(F)cc1F)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1,-3.2999994961169836 |
| CC1NC(N)=Nc2cccc(Cl)c21,-3.041392685158225 |
| CC1NC(N)=Nc2ccc(Cl)c(Cl)c21,-0.9030899869919436 |
| N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)C2,-2.800001827817969 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6oc(-c7cc(C)nn7C)nc6c5CC4)n3C)cccc2n1,-3.0 |
| Cc1nc(C)c(-c2nnc(SCCCN3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)s1,-3.0 |
| Cn1c(SCCCN2CCc3ccc4oc(C(F)(F)F)nc4c3CC2)nnc1-c1ccccc1,-3.100001582801352 |
| Cc1ccc(-c2nnc(SCCCN3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)cn1,-3.2999994961169836 |
| Cc1cnc(-c2nnc(SCCCN3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)cn1,-3.1999991251967965 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6oc(C(F)(F)C(F)(F)F)nc6c5CC4)n3C)cccc2n1,-3.2999994961169836 |
| Cc1ncoc1-c1nnc(SCCCN2CCc3ccc4oc(C(C)(F)F)nc4c3CC2)n1C,-3.1999991251967965 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6oc(C(F)(F)F)nc6c5CC4)n3C)cccc2n1,-2.7000023971422538 |
| CCc1nc2c3c(ccc2o1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,-2.7000023971422538 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1,-2.9000009651534695 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5nc6cc(C(F)(F)F)ccn6c5CC4)n3C)cccc2n1,-2.9000009651534695 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5nc6ccccn6c5CC4)n3C)cccc2n1,-3.2999994961169836 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5nc6ccc(Cl)cn6c5CC4)n3C)cccc2n1,-3.0 |
| CCc1nc2ccc3c(c2s1)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,-2.60000308662774 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6nc(C)sc6c5CC4)n3C)cccc2n1,-2.400002345927956 |
| Cc1cnc(-c2nnc(SCCCN3CCc4ccc5c(C)noc5c4CC3)n2C)cn1,-3.4000006169763797 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6nc(C(C)(F)F)oc6c5CC4)n3C)cccc2n1,-3.1999991251967965 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc6nc(C(F)(F)F)oc6c5CC4)n3C)cccc2n1,-3.59999981394342 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)OCC(=O)N6)n3C)cccc2n1,-2.200001865406602 |
| CC(=O)N1CCOc2cc3c(cc21)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,-3.0 |
| Cc1ncoc1-c1nnc(SCCCN2CCc3cc4c(cc3CC2)N(C)C(=O)CO4)n1C,-3.2999994961169836 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)N(C)C(=O)CO6)n3C)cccc2n1,-2.400002345927956 |
| Cc1ncoc1-c1nnc(SCCCN2CCc3cc4c(cc3CC2)OCC(=O)N4)n1C,-3.2999994961169836 |
| Cc1noc2cc3c(cc12)CCN(CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3,-2.800001827817969 |
| CCc1noc2cc3c(cc12)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,-2.099991233544684 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6onc(C)c6cc5CC4)n3C)cccc2n1,-2.0 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6ncoc6cc5CC4)n3C)cccc2n1,-3.4000006169763797 |
| Cc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3,-3.4000006169763797 |
| Cc1ccc2c(-c3nnc(SCCC(C)N4CCc5cc6nc(C)oc6c(Br)c5CC4)n3C)cccc2n1,-3.0 |
| Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6nc(C(F)(F)F)oc6c(C)c5CC4)n3C)cccc2n1,-3.4000006169763797 |
| Cc1ccc2c(-c3nnc(SCCCCN4CCc5cc6nc(C(F)(F)F)oc6c(Br)c5CC4)n3C)cccc2n1,-3.100001582801352 |
| CCc1nc2cc3c(c(Br)c2o1)CCN(CCCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,-3.2999994961169836 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C(C)(C)C)oc6c(C)c5CC4)n3C)cccc2n1,-3.1999991251967965 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C(C)(C)C)oc6c(Br)c5CC4)n3C)cccc2n1,-3.0 |
| Cc1nc2cc3c(cc2s1)CCN(CCCSc1nnc(-c2ocnc2C)n1C)CC3,-3.1999991251967965 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6nc(C)sc6cc5CC4)n3C)cccc2n1,-3.0 |
| CCc1nn(C)c2cc3c(cc12)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,-2.800001827817969 |
| Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)C(=O)N(C)C6)n3C)cccc2n1,-3.5000003213429354 |
| Cc1cc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2cn1,-2.9000009651534695 |
| CN1CCN(c2nc3ccccc3nc2Cc2ccccc2)CC1,-2.8699998586345257 |
| COc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,-1.414973347970818 |
| COc1cc(F)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,-1.0 |
| c1ccc([C@@H](Oc2cccc3c2OCC3)[C@H]2CNCCO2)cc1,-1.0 |
| Fc1cccc(O[C@H](c2ccccc2)[C@H]2CNCCO2)c1F,-1.0 |
| Cc1cc(F)ccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,-1.0 |
| Fc1ccc(O[C@H](c2ccccc2)[C@H]2CNCCO2)c(Cl)c1,-1.0 |
| [3H]C([3H])([3H])Oc1cc(I)c(OC)cc1CCNCc1ccccc1OC([3H])([3H])[3H],-2.2764618041732443 |
| CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,-0.6232492903979004 |
| COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,-0.1475045645070413 |
| Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1,-3.549999523574668 |
| COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1,-2.974971994298069 |
| COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1,-2.6424645202421213 |
| COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1,-2.8228216453031045 |
| Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1,-0.2041199826559248 |
| O=C(CCCN1C2CCC1CN(c1ccc(Cl)cc1)CC2)c1ccc(F)cc1,-3.0060379549973173 |
| O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,-2.2755416884013098 |
| O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,-2.9599472157084987 |
| O=C(CCCN1C2CCC1CC(c1ccccc1)C2)c1ccc(F)cc1,-2.9883359558560505 |
| O=C(CCCN1C2CCC1CC(O)(c1ccccc1)C2)c1ccc(F)cc1,-2.803047210491129 |
| O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,-2.1975562131535367 |
| CN1CCN(c2nc(NCc3ccoc3)c3cc(Cl)ccc3n2)CC1,-1.989983458301399 |
| CN(C)CCC=C1c2ccccc2CCc2ccccc21,0.077015184291117 |
| CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)Cc1ccc(OCCCN2CCCCC2)cc1,-2.747411807886423 |
| CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)c1ccc(OCCCN2CCCCC2)cc1,-2.8363241157067516 |
| CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ccc(OCCCN2CCCCC2)cc1,-1.8976270912904416 |
| CNCCCC12CCC(c3ccccc31)c1ccccc12,-0.1288837020997733 |
| CN(CCCC12CCC(c3ccccc31)c1ccccc12)Cc1ccc(OCCCN2CCCCC2)cc1,-1.6020599913279625 |
| CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,-0.4918517497214158 |
| CN(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1,-2.311753861055754 |
| CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,-0.5740312677277188 |
| CN(CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCCN2CCCCC2)cc1,-2.469822015978163 |
| Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC1)c1ccccc1N2,-2.278753600952829 |
| O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCCN2CCCCC2)cc1,-2.591064607026499 |
| CN(C)CCC1=C(Cc2ccc(F)cc2)c2ccccc2C1,0.2218487496163563 |
| CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1,-0.6020599913279624 |
| C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1cnccn1,-0.1139433523068367 |
| CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1,-1.041392685158225 |
| CN(C)CCc1sc2ccccc2c1Cc1cnccn1,-1.8750612633917 |
| C[C@@H](c1ccccn1)c1c(CCN(C)C)oc2ccccc12,0.0457574905606751 |
| CNC1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,-0.380211241711606 |
| CN(C1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,-0.4471580313422192 |
| CN(CCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,-0.380211241711606 |
| CN(Cc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,-0.5563025007672873 |
| CN(c1ncccn1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,-1.8762178405916423 |
| CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,-0.4313637641589873 |
| COc1ccc(Cn2c(N3CCC(n4cc(C)cn4)CC3)nc3ccccc32)cc1,-0.8512583487190752 |
| Cc1cnn(C2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1,-0.8388490907372553 |
| Fc1ccc(Cn2c(N3CCC(n4cccn4)CC3)nc3ccccc32)cc1,-1.2624510897304295 |
| Fc1ccc(Cn2c(N3CCC(n4ccnc4)CC3)nc3ccccc32)cc1,-0.1139433523068367 |
| Fc1ccc(Cn2c(N3CCC(n4cccc4)CC3)nc3ccccc32)cc1,-1.7730546933642626 |
| O=C1CCCCN1C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,-0.8195439355418687 |
| CN(C)CCN(C)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,-0.4623979978989561 |
| COc1ccc(Cn2c(N3CCC(NCC4CCOCC4)CC3)nc3ccccc32)cc1,-1.14921911265538 |
| Fc1ccc(Cn2c(N3CCC(NCC4CCOCC4)CC3)nc3ccccc32)cc1,-0.6532125137753437 |
| CN(CCO)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,-0.505149978319906 |
| COCCN(C)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,-0.3424226808222063 |
| COc1ccc(Cn2c(N3CCC(N(C)CC4CCOCC4)CC3)nc3ccccc32)cc1,-1.14921911265538 |
| CN(CC1CCOCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,-0.5910646070264992 |
| COc1ccc(Cn2c(N3CCC(N(C)C)CC3)nc3ccccc32)cc1,-0.380211241711606 |
| Cc1ccc(Cn2c(N3CCC(N(C)C)CC3)nc3ccccc32)cc1,-0.1760912590556812 |
| CN(C)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,-0.255272505103306 |
| CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,-1.4313637641589874 |
| Cc1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,-1.591064607026499 |
| O=C(O)c1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,-2.307496037913213 |
| CC1CCC(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)CC1,-1.7853298350107671 |
| OC(c1ccccc1)(c1ccccc1)C1CCNCC1,-2.8188854145940097 |
| COC(=O)c1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,-1.3010299956639813 |
| Cc1ccc(CCCCN2CCCCC2)cc1,-3.505149978319906 |
| Cc1ccc(CCCCN2CCC(C(O)c3ccccc3)CC2)cc1,-2.08278537031645 |
| Cc1ccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,-1.2041199826559248 |
| Cc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,-1.806179973983887 |
| Cc1ccc(CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,-2.1903316981702914 |
| NCC1c2ccccc2Cc2ccccc21,-2.294466226161593 |
| CNCC1c2ccccc2Cc2ccccc21,-2.2764618041732443 |
| CN(C)CC1c2ccccc2Cc2ccccc21,-1.3979400086720375 |
| NCCC1c2ccccc2Cc2ccccc21,-2.1367205671564067 |
| CNCCC1c2ccccc2Cc2ccccc21,-1.6812412373755872 |
| CN(C)CCC1c2ccccc2Cc2ccccc21,-0.7781512503836436 |
| NCCCC1c2ccccc2Cc2ccccc21,-2.2430380486862944 |
| CNCCCC1c2ccccc2Cc2ccccc21,-0.4771212547196624 |
| CN(C)CCCC1c2ccccc2Cc2ccccc21,0.3010299956639812 |
| CN(C)CC(c1ccccc1)c1ccccc1,-3.7136585162083566 |
| NCCC(c1ccccc1)c1ccccc1,-3.440594261839831 |
| CNCCC(c1ccccc1)c1ccccc1,-1.806179973983887 |
| CN(C)CCC(c1ccccc1)c1ccccc1,-1.8750612633917 |
| NCCCC(c1ccccc1)c1ccccc1,-3.2227164711475833 |
| CNCCCC(c1ccccc1)c1ccccc1,-2.586587304671755 |
| CN(C)CCCC(c1ccccc1)c1ccccc1,-1.845098040014257 |
| COc1ccc2c3c(ccc2c1)Cc1ccccc1C3CN,-3.4216039268698313 |
| c1ccc(CCNCC2c3ccccc3Cc3ccccc32)cc1,-2.383815365980431 |
| c1ccc(CCCNCC2c3ccccc3Cc3ccccc32)cc1,-2.8603380065709936 |
| c1ccc(CCCCNCC2c3ccccc3Cc3ccccc32)cc1,-2.984077033902831 |
| CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1,-3.0 |
| O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1,-3.2999994961169836 |
| c1ccc(N2CCN(CC3CCCCN3)C2)cc1,-3.4000006169763797 |
| CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)cc(OCC)c1N,-3.4149733479708178 |
| CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl,-2.424881636631067 |
| CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1F,-2.916980047320382 |
| CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)ccc1OC,-2.716003343634799 |
| CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC,-2.965201701025912 |
| CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1OC,-3.0056094453602804 |
| CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1F,-3.137986732723532 |
| CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5ccccc5)ccc4o3)CC2)ccc1OC,-2.298853076409707 |
| CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)cc(OCC)c1-n1cccc1,-3.6989700043360183 |
| CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)cc(OC2CCOCC2)c1,-4.5843312243675305 |
| CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1,-3.5563025007672873 |
| N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1,-4.410000036703406 |
| Cc1cncc(CC2=C(CCN(C)C)Cc3ccccc32)n1,-1.0791812460476249 |
| Cc1nccnc1CC1=C(CCN(C)C)Cc2ccccc21,-1.7993405494535817 |
| Cc1cnc(CC2=C(CCN(C)C)Cc3ccccc32)cn1,-1.5440680443502757 |
| COc1nccnc1CC1=C(CCN(C)C)Cc2ccccc21,-0.3424226808222063 |
| CN(C)CCC1=C(Cc2cccnn2)c2ccccc2C1,-0.8864907251724818 |
| CN(C)CCC1=C(Cc2ncccn2)c2ccccc2C1,-1.1760912590556811 |
| COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2ccccc21,-0.0 |
| C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1nccs1,0.0969100130080563 |
| Cc1csc([C@H](C)C2=C(CCN(C)C)Cc3ccccc32)n1,-0.4913616938342727 |
| Cc1ccc2c(c1)CC(CCN(C)C)=C2Cc1cnccn1,-1.0755469613925308 |
| COc1ccc2c(c1)CC(CCN(C)C)=C2Cc1cnccn1,-0.9493900066449128 |
| CN(C)CCC1=C(Cc2cnccn2)c2ccc(Cl)cc2C1,-0.146128035678238 |
| CN(C)CCC1=C(Cc2cnccn2)c2ccc(F)cc2C1,-0.146128035678238 |
| COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc21,-0.1760912590556812 |
| COc1nccnc1CC1=C(CCN(C)C)Cc2cc(F)ccc21,0.0969100130080563 |
| CN(C)CCC1=C(Cc2cccnn2)c2ccc(Cl)cc2C1,-0.3222192947339193 |
| CN(C)CCC1=C(Cc2cccnn2)c2ccc(F)cc2C1,-0.2304489213782739 |
| Cc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1cnccn1,-0.6232492903979004 |
| COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1cnccn1,-0.4913616938342727 |
| COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc21,-0.4313637641589873 |
| COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccnc1OC,-0.1139433523068367 |
| COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc21,0.1549019599857432 |
| C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc21)c1nccs1,0.5228787452803376 |
| Cc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccs1,-0.3424226808222063 |
| COc1ccc2c(c1)CC(CCN(C)C)=C2[C@@H](C)c1nccs1,-0.3979400086720376 |
| CNCCc1sc2ccccc2c1[C@@H](C)c1ccccn1,-4.505149978319906 |
| C[C@@H](c1ccccn1)c1c(CCN2CCC2)sc2ccccc12,-0.5910646070264992 |
| Cc1ccnc(C(C)c2c(CCN(C)C)sc3ccccc23)c1,-2.591064607026499 |
| COc1cccc(C(C)c2c(CCN(C)C)sc3ccccc23)n1,-1.7708520116421442 |
| CC(c1cccc(F)n1)c1c(CCN(C)C)sc2ccccc12,-1.57978359661681 |
| Cc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12,-0.9684829485539352 |
| COc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12,-0.6989700043360189 |
| C[C@@H](c1ncccc1F)c1c(CCN(C)C)sc2ccccc12,-0.4313637641589873 |
| C[C@@H](c1ncccc1Cl)c1c(CCN(C)C)sc2ccccc12,-0.9030899869919436 |
| C[C@@H](c1ccc(F)cn1)c1c(CCN(C)C)sc2ccccc12,-1.1139433523068367 |
| Cc1ccc(C(C)c2c(CCN(C)C)sc3ccccc23)cn1,-1.8388490907372552 |
| COc1ccc(C(C)c2c(CCN(C)C)sc3ccccc23)cn1,-2.0791812460476247 |
| Cc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12,-1.230448921378274 |
| COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12,-0.4623979978989561 |
| C[C@H](c1cccnc1F)c1c(CCN(C)C)sc2ccccc12,-0.2304489213782739 |
| C[C@H](c1cccnc1Cl)c1c(CCN(C)C)sc2ccccc12,-0.4623979978989561 |
| CC(c1nccs1)c1c(CCN(C)C)sc2ccccc12,-1.5440680443502757 |
| C[C@@H](c1cscn1)c1c(CCN(C)C)sc2ccccc12,-0.6627578316815741 |
| C[C@@H](c1cncs1)c1c(CCN(C)C)sc2ccccc12,-0.7160033436347992 |
| CC(c1c(CCN(C)C)sc2ccccc12)n1ccnc1,-2.0863598306747484 |
| C[C@H](c1c(CCN(C)C)sc2ccccc12)n1cccn1,-0.6434526764861874 |
| CCOCCn1c(N2CC[C@H](N(C)C)C2)nc2ccccc21,-0.6812412373755872 |
| COc1ccc(Cn2c(N3CC[C@@H](N(C)C)C3)nc3ccccc32)cc1,-0.9242792860618816 |
| C1=C(N2CCNCC2)c2nccn2Cc2ccccc21,0.1999706407558656 |
| O=C(O)CCN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1,-1.7000110623221123 |
| CC(C)(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O,-1.4000196350651586 |
| CC(C)(CN1CCCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O,-1.7000110623221123 |
| CC1CN(C2=Cc3ccccc3Cn3ccnc32)CC(C)N1CCC(=O)O,-1.299942900022767 |
| C=C(CN1CCN(C2=Cc3ccccc3Cn3ccnc32)CC1)C(=O)O,-1.4999618655961902 |
| O=C(O)C1CC(N2CCN(C3=Cc4ccccc4Cn4ccnc43)CC2)C1,-1.275426536741639 |
| Cc1nc2n(c1C)Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1,-1.599992177584098 |
| Cc1cn2c(n1)C(N1CCN(CC(C)(C)C(=O)O)CC1)=Cc1ccccc1C2,-1.7000110623221123 |
| CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(Cl)nc32)CC1)C(=O)O,-1.899984562549391 |
| CC(C)(CN1CCN(C2=Cc3ccccc3Cn3c(Cl)cnc32)CC1)C(=O)O,-1.599992177584098 |
| CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(F)nc32)CC1)C(=O)O,-1.599992177584098 |
| COc1cnc2n1Cc1ccccc1C=C2N1CCN(CC(C)(C)C(=O)O)CC1,-2.099991233544684 |
| O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1,-2.8920946026904804 |
| CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1,-2.785329835010767 |
| FC(F)(F)c1ccc(SCC(c2ccncc2)c2c[nH]cn2)cc1,-2.7323937598229686 |
| Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,-2.6989700043360187 |
| Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1,-3.1760912590556813 |
| NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,-1.806179973983887 |
| CC(=O)NCc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1,-1.806179973983887 |
| O=C(O)[C@@H]1CCCN(C2CCC3(C2)C(=O)c2cc(Cl)ccc2Oc2ccccc23)C1,-2.300008202553813 |
| O=C(O)C1CCN(C2CCC3(C2)C(=O)c2cc(F)ccc2Sc2ccccc23)CC1,-2.300008202553813 |
| O=C(O)C1CCN(C2CCC3(C2)C(=O)c2cc(Cl)ccc2Oc2ccccc23)CC1,-3.0 |
| O=C(O)C1=CCCN(C2CCC3(C2)C(=O)c2ccccc2Cc2ccccc23)C1,-1.899984562549391 |
| O=C(O)C1CN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1,-1.7000110623221123 |
| O=C(O)[C@@H]1CCCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1,-2.099991233544684 |
| O=C(O)C1(F)CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1,-2.200001865406602 |
| O=C(O)C1CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1,-1.899984562549391 |
| O=C(O)C1=CCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)CC1,-1.7000110623221123 |
| O=C(O)C1=CCCN(C2CCC3(Cc4ccccc4Oc4ccccc43)C2)C1,-2.0 |
| O=C(O)C=C1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1,-2.300008202553813 |
| O=C(O)CC1CN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1,-2.500003068051693 |
| O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,-0.8000293592441343 |
| O=C(O)[C@]12C[C@H]1CN(C1CC[C@]3(Cc4ccccc4Cc4ccccc43)C1)C2,-1.4999618655961902 |
| O=C(O)[C@@H]1[C@H]2CN(C3CCC4(Cc5ccccc5Cc5ccccc54)C3)C[C@H]21,-1.599992177584098 |
| O=C(O)CC1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,-1.4999618655961902 |
| CC1(C(=O)O)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,-1.1000257301078626 |
| O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,-1.2000292665537704 |
| O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCN1,-2.0 |
| O=C(O)C1CN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CCO1,-1.8000293592441343 |
| O=C(O)C1(F)CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,-2.9000009651534695 |
| O=C(O)[C@@H]1CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,-1.299942900022767 |
| O=C(O)CC1CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,-1.4000196350651586 |
| O=C(O)C1(F)CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1,-1.599992177584098 |
| O=C(O)C1(O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,-1.7000110623221123 |
| CC1(C(=O)O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,-1.7000110623221123 |
| O=C(O)C1CCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1,-1.7000110623221123 |
| O=C(O)C1=CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)CC1,-1.599992177584098 |
| O=C(O)C1=CCCN(C2CCC3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1,-1.599992177584098 |
| COC(=O)C1=CCCN(C2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1,-1.2000292665537704 |
| CN(C)C1CC[C@]2(Cc3ccccc3Cc3ccccc32)C1,-0.599992177584098 |
| COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,-3.0 |
| CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1,0.8290052979636998 |
| COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1,-3.100001582801352 |
| Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1,-3.375846436309156 |
| CCN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1,-0.8573324964312685 |
| CCCN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1,-1.6127838567197357 |
| CN(CCF)CCC1=C(Cc2cnccn2)c2ccccc2C1,-1.380211241711606 |
| C[C@H](C1=C(CCN(C)CCF)Cc2ccccc21)c1cnccn1,-1.1139433523068367 |
| C[C@H](C1=C(CCN(C)CC#N)Cc2ccccc21)c1cnccn1,-1.505149978319906 |
| C[C@H](C1=C(CCN(C)CCC#N)Cc2ccccc21)c1cnccn1,-2.037426497940624 |
| C[C@H](C1=C(CCN(C)CCC(F)(F)F)Cc2ccccc21)c1cnccn1,-1.9590413923210936 |
| c1ccc2c(c1)CC(CCN1CCC1)=C2Cc1cnccn1,-0.6334684555795865 |
| c1ccc2c(c1)CC(CCN1CCCC1)=C2Cc1cnccn1,-0.4471580313422192 |
| FC1CN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1,-1.6901960800285136 |
| FC1(F)CN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1,-3.663229634532868 |
| FC1(F)CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1,-2.3961993470957363 |
| FC1CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1,-1.021189299069938 |
| C[C@H](C1=C(CCN(C)Cc2ccco2)Cc2ccccc21)c1cnccn1,-0.9084850188786496 |
| C[C@H](C1=C(CCN(C)Cc2cccs2)Cc2ccccc21)c1cnccn1,-0.8260748027008264 |
| C[C@H](C1=C(CCN(C)Cc2nccs2)Cc2ccccc21)c1cnccn1,-1.6812412373755872 |
| C[C@H](C1=C(CCN(C)Cc2ncco2)Cc2ccccc21)c1cnccn1,-2.2095150145426308 |
| C[C@H](C1=C(CCN(C)Cc2ncc[nH]2)Cc2ccccc21)c1cnccn1,-0.9444826721501688 |
| C[C@H](C1=C(CCN(C)Cc2nccn2C)Cc2ccccc21)c1cnccn1,-1.4471580313422192 |
| C[C@H](C1=C(CCN(C)Cc2ccccn2)Cc2ccccc21)c1cnccn1,-1.1430148002540952 |
| C[C@H](C1=C(CCN(C)Cc2ccncc2)Cc2ccccc21)c1cnccn1,-0.6901960800285137 |
| C[C@H](C1=C(CCN(C)Cc2cnccn2)Cc2ccccc21)c1cnccn1,-1.3926969532596658 |
| C[C@H](C1=C(CCN(C)CC2CCOCC2)Cc2ccccc21)c1cnccn1,-1.1818435879447726 |
| COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1OC,-3.1999991251967965 |
| COC(=O)c1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,-2.800001827817969 |
| CN1CCC[C@@H]1Cn1nc(CC2CCCCC2)c2ccccc2c1=O,-1.899984562549391 |
| CN1CCC[C@@H]1Cn1nc(Cc2ccc(C(C)(C)C)cc2)c2ccccc2c1=O,-2.60000308662774 |
| CN1CCCC1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,-1.8000293592441343 |
| O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCNCCCCc1ccc(OCCCN2CCCCCC2)cc1,-1.599992177584098 |
| O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(Cc2ccc(OCCCN3CCCCCC3)cc2)CC1,-1.7000110623221123 |
| CN(CCCCc1ccc(OCCCN2CCCCCC2)cc1)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,-1.599992177584098 |
| CN1CCC[C@@H]1Cn1nc(CCc2ccccc2)c2ccccc2c1=O,-1.4999618655961902 |
| O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCCc2ccc(OCCCN3CCCCCC3)cc2)CC1,-1.299942900022767 |
| O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1,-1.2000292665537704 |
| O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C1CCCN(CCCc2ccc(OCCCN3CCCCCC3)cc2)CC1,-1.2000292665537704 |
| O=c1c2ccccc2c(Cc2ccc(O)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,-1.1000257301078626 |
| O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCCc1ccc(OCCCN2CCCCCC2)cc1,-1.1000257301078626 |
| CN(C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,-1.0 |
| COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1,-0.899984562549391 |
| CN1CCC(Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1,-0.8000293592441343 |
| CCOc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,-0.7000110623221123 |
| CN1CCCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1,-0.4000196350651585 |
| COc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1,-0.2999429000227671 |
| CN1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O,-0.2000292665537703 |
| CCCCCc1nn(C[C@H]2CCCN2C)c(=O)c2ccccc12,-0.2000292665537703 |
| CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,-0.0799044676667207 |
| CN1CCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,-0.0 |
| Cc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1,0.100015437450609 |
| CN1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O,0.2999889376778876 |
| CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O,0.5000381344038098 |
| CN(C)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,0.5999803649348415 |
| CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O,0.5999803649348415 |
| Cc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,0.700057099977233 |
| CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O,0.7999707334462297 |
| COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1,1.0 |
| O=C(CCCN1C2C3C4CC5C6C4C2C6C1(O)C53)c1ccc(F)cc1,-3.375114684692225 |
| CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,0.431798275933005 |
| 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)COP(=O)(O)O,-3.06781451116184 |
| Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,-1.041392685158225 |
| CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,-0.5167997040816243 |
| Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,-1.255272505103306 |
| O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,-2.720159303405957 |
| CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,1.3098039199714864 |
| CN(C)CCOC(c1ccccc1)c1ccccc1,-1.2404244330836078 |
| CN(C)CCC=C1c2ccccc2COc2ccccc21,0.7825160557860937 |
| CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,-2.3180633349627615 |
| CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,-2.569373909615046 |
| CN1CCN(C(c2ccccc2)c2ccccc2)CC1,-0.6476763132408708 |
| Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,-3.5335178620169674 |
| C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,-0.9356080185178692 |
| CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,0.3665315444204134 |
| O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,-2.1931245983544616 |
| CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,-0.9924209560520242 |
| Cc1ccccc1C(OCCN(C)C)c1ccccc1,-2.1583624920952498 |
| CN(C)CCCN1c2ccccc2Sc2ccccc21,0.3990271043132517 |
| CC(CN1c2ccccc2Sc2ccccc21)N(C)C,0.4762535331884355 |
| NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,-0.0622058088197125 |
| CNCCC=C1c2ccccc2CCc2ccccc21,-0.7680458141024167 |
| CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,-0.4462264017781631 |
| CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,-2.681241237375587 |
| CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,-1.2787536009528289 |
| CN(C)CCN(Cc1cccs1)c1ccccn1,-0.2557547866430441 |
| CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,-0.4949889736831681 |
| Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2,-3.2350231594952237 |
| O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,-1.6232492903979006 |
| CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,-0.9248992640142836 |
| CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1,-3.3937330998290083 |
| O=C(c1cc2ccccc2[nH]1)N1CCN(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1,-0.7399676967595094 |
| COc1ccc(CN(CCN(C)CC(C)Nc2ccc3[nH]c(C(=O)N4CCN(C)CC4)cc3c2)c2ccccn2)cc1,-2.330007700872759 |
| COc1ccc(CN(CCN[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)c2ccccn2)cc1,-2.6600017201028834 |
| O=C(c1cc2ccccc2[nH]1)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1,-2.3499958992628565 |
| COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1,-2.0 |
| COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1,-0.84997191232885 |
| COc1ccc(CN(CCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ccccn2)cc1,-2.780000298336571 |
| COc1ccc(CN(CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1,-2.8900016131846367 |
| COc1ccc(CN(CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1,-2.229988836544811 |
| c1ccc(Cc2ccccc2OC2CCNCC2)cc1,-0.7892280572673351 |
| CN1CCN(c2nc(N3CCCC3)c3cnn(C)c3n2)CC1,-1.7911992464988753 |
| NC1=NC(c2ccccc2)n2c(nc3ccccc32)N1,-2.6300004899009117 |
| Cc1cccc2c(CCN)cn(Cc3ccccc3)c12,-2.7299985472834227 |
| CN(C)CCSc1nc2ccccc2c2nnnn12,-2.850002586092461 |
| OCCN1CCN(c2ncnc3sccc23)CC1,-2.850002586092461 |
| CNCCCOc1cccc2ccccc12,-2.9000009651534695 |
| c1cnc2c(c1)cc([C@@H]1CCCO1)n2CCN1CCCCC1,-3.2500001440812936 |
| C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1,-3.279999836361079 |
| CNCC(O)CN1c2ccccc2C2CCCCC21,-3.360000444979648 |
| c1ccc2c(c1)nc1n(CCN3CCCCC3)cnn21,-3.4200003315663743 |
| c1ccc2c(N3CCN(C4CCCC4)CC3)ncnc2c1,-3.510000460433903 |
| c1ccc2c(c1)n(CCN1CCCCC1)c1ncnn21,-3.619999600500459 |
| CC(C)NCc1ccc(-c2ccccc2)o1,-3.6599998198406505 |
| OCCN1CCN(c2ncnc3c2oc2ccccc23)CC1,-3.730000164674158 |
| OC(CNC1CC1)Cn1c2ccccc2c2ccccc21,-3.799999762890647 |
| NCCSc1nc(C2CCCCC2)n(-c2ccccc2)n1,-3.910000258512931 |
| C=CCn1c(=N)n(CC(=O)c2ccccc2)c2ccccc21,-4.029999876284985 |
| NCCc1ccccc1Oc1ccccc1,-4.03999992231135 |
| CN(C)C(=O)CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1,-0.8633228601204559 |
| CCN(CC)C(=O)CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1,-0.7993405494535817 |
| O=C(CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1)N1CCCCC1,-0.6901960800285137 |
| O=C(CN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1)N1CCOCC1,-1.2201080880400552 |
| Fc1ccc(Cn2c(C3CCCN(Cc4ncco4)C3)nc3ccccc32)cc1,-1.0253058652647702 |
| OCCN1CCCC(c2nc3ccccc3n2Cc2ccc(F)cc2)C1,-0.0 |
| Fc1ccc(Cn2c([C@@H]3CCCNC3)nc3ccccc32)cc1,-0.0791812460476248 |
| c1ccc(OCCn2c(C3CCCNC3)nc3ccccc32)cc1,-0.0 |
| CN1CCCC(c2nc3ccccc3n2CCOc2ccccc2)C1,0.0969100130080563 |
| CN(C)C(=O)CN1CCCC(c2nc3ccccc3n2CCOc2ccccc2)C1,-0.9242792860618816 |
| c1ccc(OCCn2c(C3CCCN(Cc4ncco4)C3)nc3ccccc32)cc1,-1.390935107103379 |
| Cc1ccc(Cn2c([C@H]3CNCCO3)nc3ccccc32)cc1,-0.0 |
| Fc1ccc(Cn2c([C@H]3CNCCO3)nc3ccccc32)cc1,0.0969100130080563 |
| Cc1ccc(Cn2c(C3CNCCS3)nc3ccccc32)cc1,-0.146128035678238 |
| Fc1ccc(Cn2c([C@H]3CNCCS3)nc3ccccc32)cc1,-0.1139433523068367 |
| CN1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc23)CC1,-3.8676442339030985 |
| CN1CCN(c2nc(N)nc3cc(-c4ccsc4)ccc23)CC1,-3.447158031342219 |
| CN1CCN(c2nc(N)nc3cc(-c4ccco4)ccc23)CC1,-3.807670301230483 |
| Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1,-4.021189299069938 |
| Fc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1,-1.7986506454452689 |
| c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1,-1.8318697742805017 |
| Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1,-2.2227164711475833 |
| Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1,-2.3263358609287517 |
| Fc1ccc(OCCCN2CCN(c3ccccn3)CC2)cc1,-2.4183012913197452 |
| Fc1ccc(SCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,-2.903198547042978 |
| Fc1ccc(OCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,-2.7067177823367587 |
| Fc1ccc(CCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1,-3.0958664534785427 |
| Clc1ccc(N2CCCN(CCCCc3nc4ccccc4s3)CC2)cc1,-1.7853298350107671 |
| Clc1ccc(N2CCCN(CCCc3nc4ccccc4s3)CC2)cc1,-2.8228216453031045 |
| O=C(CCCCN1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,-2.110589710299249 |
| OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1,-2.271841606536499 |
| C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1,-3.73559889969818 |
| C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1,-3.8484970180903666 |
| O=C(NC1CCCC1)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,-3.983175072037813 |
| C[C@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1,-3.8457180179666586 |
| CCNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCC[C@H]2C)C3=O)cc1,-3.859138297294531 |
| C[C@@H]1CCCN1CCN1CCc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2C1=O,-3.942008053022313 |
| O=C(CCCCN1CCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1,-1.662757831681574 |
| O=C(CCCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,-1.7160033436347992 |
| CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,0.0400051616715838 |
| COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O,0.2899673009342464 |
| CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O,0.1600194423216573 |
| CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,0.4600461583436033 |
| CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,0.400007822415902 |
| COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O,0.5999803649348415 |
| CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,0.4500163888403112 |
| CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,0.1999706407558656 |
| COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O,-0.0 |
| CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,0.5000381344038098 |
| CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,0.1999706407558656 |
| COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O,0.2700257143004443 |
| CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O,-0.1099158630237933 |
| O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1,-1.2400497721126476 |
| CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCC5)CC4)cc3)CC2)cc1,-3.4000006169763797 |
| CC1(C)CCCN(CCCOc2ccc(C3CCN(C(=O)c4ccc(CCC(=O)O)c5ccccc45)CC3)cc2)C1,-1.1000257301078626 |
| Cc1cc(F)ccc1OC1CCN(CC2CCN([C@@](C)(Cc3ccc(F)cc3)C(=O)O)CC2)CC1,-1.899984562549391 |
| Cc1cc(OC2CCN(CC3CCN([C@@](C)(Cc4ccc(F)cc4)C(=O)O)CC3)CC2)ccc1Cl,-1.7000110623221123 |
| Cc1cc(Cl)ccc1OC1CCN(CC2CCN([C@@](C)(Cc3ccc(F)cc3)C(=O)O)CC2)CC1,-2.200001865406602 |
| Cc1c(OC2CCN(CC3CCN([C@@](C)(Cc4ccc(F)cc4)C(=O)O)CC3)CC2)ccc(Cl)c1Cl,-1.4999618655961902 |
| Cc1c(OC2CCN(CC3CCN([C@@](C)(Cc4ccccc4)C(=O)O)CC3)CC2)ccc(Cl)c1Cl,-2.300008202553813 |
| Cc1c(OC2CCN(CC3CCN([C@@H](Cc4ccccc4)C(=O)O)CC3)CC2)ccc(Cl)c1Cl,-1.8000293592441343 |
| C[C@](Cc1ccc(F)cc1)(C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.899984562549391 |
| C[C@](Cc1ccccc1)(C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-2.0 |
| Cc1c(OC2CCN(CC3CCN([C@@H](Cc4ccc(F)cc4)C(=O)O)CC3)CC2)ccc(C#N)c1Cl,-2.7000023971422538 |
| Cc1c(OC2CCN(CC3CCN([C@@H](Cc4ccc(F)cc4)C(=O)O)CC3)CC2)ccc(Cl)c1Cl,-1.4999618655961902 |
| Cc1c(Cl)ccc(OC2CCN(CC3CCN([C@@H](Cc4ccc(F)cc4)C(=O)O)CC3)CC2)c1Cl,-1.599992177584098 |
| Cc1cc(OC2CCN(CC3CCN([C@@H](Cc4ccc(F)cc4)C(=O)O)CC3)CC2)ccc1Cl,-2.0 |
| Cc1cc(F)ccc1OC1CCN(CC2CCN([C@@H](Cc3ccc(F)cc3)C(=O)O)CC2)CC1,-2.200001865406602 |
| Cc1cc(Cl)ccc1OC1CCN(CC2CCN([C@@H](Cc3ccc(F)cc3)C(=O)O)CC2)CC1,-1.899984562549391 |
| O=C(O)[C@H](Cc1ccc(F)cc1)N1CCC(CN2CCC(Oc3ccc(Cl)cc3Cl)CC2)CC1,-2.0 |
| O=C(O)[C@H](Cc1ccc(F)cc1)N1CCC(CN2CCC(Oc3ccc(Cl)cc3)CC2)CC1,-2.60000308662774 |
| O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-2.200001865406602 |
| COc1ccc(C[C@@H](C(=O)O)N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,-1.8000293592441343 |
| COc1ccccc1C[C@@H](C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.8000293592441343 |
| Cc1ccc(C[C@@H](C(=O)O)N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,-1.899984562549391 |
| Cc1cccc(C[C@@H](C(=O)O)N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,-1.2000292665537704 |
| Cc1ccccc1C[C@@H](C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.4999618655961902 |
| N#Cc1ccc(C[C@@H](C(=O)O)N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,-1.2000292665537704 |
| N#Cc1cccc(C[C@@H](C(=O)O)N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,-1.4000196350651586 |
| N#Cc1ccccc1C[C@@H](C(=O)O)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.2000292665537704 |
| O=C(O)[C@H](Cc1ccc(F)cc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.7000110623221123 |
| O=C(O)[C@H](Cc1cccc(F)c1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-2.099991233544684 |
| O=C(O)[C@H](Cc1ccccc1F)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.7000110623221123 |
| O=C(O)[C@H](Cc1ccc(Cl)cc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.4999618655961902 |
| O=C(O)[C@H](Cc1ccccc1Cl)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.7000110623221123 |
| O=C(O)c1cccnc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.0 |
| O=C(O)c1ccc(CN2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,-2.099991233544684 |
| O=C(O)c1cccc(CN2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,-1.7000110623221123 |
| O=C(O)c1ccccc1CN1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.8000293592441343 |
| O=C(O)COc1ccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,-1.599992177584098 |
| O=C(O)COc1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,-0.7000110623221123 |
| O=C(O)COc1ccccc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.2000292665537704 |
| O=C(O)Cc1ccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,-1.299942900022767 |
| O=C(O)Cc1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,-0.7000110623221123 |
| O=C(O)Cc1ccccc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.2000292665537704 |
| O=C(O)c1ccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,-1.8000293592441343 |
| O=C(O)c1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,-0.7000110623221123 |
| O=C(O)c1ccccc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-0.8000293592441343 |
| O=C(O)C(c1ccccc1)N1CCCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1,-1.8000293592441343 |
| O=C(O)C(c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.8000293592441343 |
| Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,-1.4999618655961902 |
| O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,-0.3010299956639812 |
| Cc1c(Cl)ccc(OC2CCN(C3CCN(C(=O)c4cccc(S(C)(=O)=O)c4)CC3)CC2)c1Cl,-1.4000196350651586 |
| O=C(c1c[nH]c(=O)c2ccccc12)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.4000196350651586 |
| CS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,-0.899984562549391 |
| Cc1ccc(S(=O)(=O)N(C)C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,-0.4000196350651585 |
| Cc1c(Cl)ccc(OC2CCN(C3CCN(S(=O)(=O)NC(=O)c4ccccc4)CC3)CC2)c1Cl,-1.4000196350651586 |
| O=C(NS(=O)(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1,-2.0 |
| Cc1c(Cl)ccc(OC2CCN(C3CCN(C(=O)NS(=O)(=O)c4ccc(N(C)C)cc4)CC3)CC2)c1Cl,-1.299942900022767 |
| O=C(NS(=O)(=O)Cc1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.7000110623221123 |
| Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(F)c(F)c4)CC3)CC2)cc1,-3.0 |
| Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)cc4)CC3)CC2)cc1,-2.099991233544684 |
| Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)cc4C)CC3)CC2)cc1,-1.4000196350651586 |
| Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(C)c4Cl)CC3)CC2)cc1,-1.299942900022767 |
| Cc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)cc4Cl)CC3)CC2)cc1,-1.2000292665537704 |
| O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.599992177584098 |
| N#Cc1cccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,-1.299942900022767 |
| O=C(NS(=O)(=O)c1cccc(Cl)c1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-0.899984562549391 |
| Cc1cccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,-1.4999618655961902 |
| CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.4000196350651586 |
| COc1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.299942900022767 |
| O=C(NS(=O)(=O)c1ccccc1Cl)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.7000110623221123 |
| Cc1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.7000110623221123 |
| CN(C)c1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,-1.299942900022767 |
| COc1ccc(S(=O)(=O)NC(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,-1.299942900022767 |
| O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.299942900022767 |
| O=C(NS(=O)(=O)c1ccc(F)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.7000110623221123 |
| O=C(NS(=O)(=O)c1ccccc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.4999618655961902 |
| CS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)[C@H](C(=O)O)C2)c1,-2.300008202553813 |
| O=C(O)CCCCn1nnc(-c2ccc(C(=O)N3CCC(N4CCC(Oc5ccc(Cl)c(Cl)c5)CC4)CC3)cc2)n1,-1.599992177584098 |
| O=C(O)CCNc1ccccc1C(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.2000292665537704 |
| O=C(O)CCCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,-1.899984562549391 |
| O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.4999618655961902 |
| O=C(c1ccc(-c2noc(=O)[nH]2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.2000292665537704 |
| O=C(O)c1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,-2.099991233544684 |
| O=C(O)c1ccccc1C(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,-1.4000196350651586 |
| O=C(O)COc1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,-2.0 |
| COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCN(C)CC1,-2.767897616018091 |
| COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)ccc32)cc1NC1CCN(C)CC1,-2.833656996892872 |
| O=C(O)Cc1ccc2c(c1)/C(=C/CN1CCCC(Cc3ccccc3)C1)c1ccccc1CO2,-1.3010299956639813 |
| Cc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CCN(Cc4ccc5cc(F)ccc5c4)C3)CC2)nn1,-1.6720978579357175 |
| COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1,-3.584218112117405 |
| COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1,-3.94733567594874 |
| COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53,-3.5713593927538394 |
| COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1,-2.690196080028514 |
| COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1,-3.0 |
| COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc2-3)CC1,-3.812913356642856 |
| COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc2-3)CC1,-3.740362689494244 |
| COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1,-3.4149733479708178 |
| COc1ccccc1N1CCN(Cc2cc(CO)c3cccccc2-3)CC1,-3.146128035678238 |
| Cn1cc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c(C(F)(F)F)cc1=O,-0.7000110623221123 |
| Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl,-1.0 |
| Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1,-1.0 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)cc1C(F)(F)F,-0.599992177584098 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]nc1C1CC1,-1.1000257301078626 |
| Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]nc3C(F)(F)F)CC2)c1Cl,-1.599992177584098 |
| Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]nc2C(F)(F)F)CC1,-1.4000196350651586 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]nc1C(F)(F)F,-1.2000292665537704 |
| Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1,-0.4000196350651585 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2c(F)cccc12,-0.4000196350651585 |
| CC1(O)CN(S(=O)(=O)c2ccc3c(C(=O)NC[C@@H](O)CN4CCC(Oc5ccc(Cl)c(Cl)c5)CC4)c[nH]c(=O)c3c2)C1,-1.4000196350651586 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)N3CCC3)ccc12,-0.4000196350651585 |
| CN(C)S(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1,-1.1000257301078626 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)NC3CC3)ccc12,-0.7000110623221123 |
| CNS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1,-1.4000196350651586 |
| Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccc(S(C)(=O)=O)cc34)CC2)c1Cl,-1.8000293592441343 |
| NS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1,-1.299942900022767 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)NCCO)ccc12,-1.7000110623221123 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccc(F)cc12,-0.8000293592441343 |
| Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(F)ccc23)CC1,-1.1000257301078626 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(F)ccc12,-0.899984562549391 |
| Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccc(S(C)(=O)=O)cc23)CC1,-1.8000293592441343 |
| Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(S(C)(=O)=O)ccc23)CC1,-1.899984562549391 |
| Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4cc(S(C)(=O)=O)ccc34)CC2)c1Cl,-1.7000110623221123 |
| CS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1,-1.299942900022767 |
| CS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)CN3CCC(Oc4ccc(C#N)c(Cl)c4)CC3)c[nH]c(=O)c2c1,-2.400002345927956 |
| N#Cc1ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)cc1Cl,-2.099991233544684 |
| N#Cc1ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)cc1,-2.7000023971422538 |
| NC(=O)c1c(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)ccc(Cl)c1Cl,-2.400002345927956 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12,-0.599992177584098 |
| N#Cc1cccc(OC[C@@H](O)CCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,0.5000381344038098 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1n[nH]c(=O)c2ccccc12,-0.8000293592441343 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1n[nH]c2ccccc12,-0.899984562549391 |
| CN(C[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)C(=O)c1c[nH]c(=O)c2ccccc12,-0.599992177584098 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)n1c(=O)[nH]c2ccccc21,-1.299942900022767 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c2ccccc12,-1.4999618655961902 |
| N#Cc1cccc(OC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,-0.4999618655961902 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cc(=O)[nH]c2ccccc12,-0.599992177584098 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cnnc2ccccc12,-1.1000257301078626 |
| N#Cc1cccc(OCCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,-1.1000257301078626 |
| O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cn2cc(F)ccc2n1,-1.2000292665537704 |
| N#Cc1cccc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,-1.299942900022767 |
| COc1cccc(SC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,-1.299942900022767 |
| COc1cc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)ccc1N,-1.8000293592441343 |
| N#Cc1cccc(S(=O)(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1,-1.899984562549391 |
| CS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)s1,-2.0 |
| CS(=O)(=O)c1ccccc1C(=O)NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1,-2.300008202553813 |
| O[C@@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)COc1ccc2ncsc2c1,-2.500003068051693 |
| N#Cc1cccc(OC[C@@H](O)CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1,-2.7000023971422538 |
| N#Cc1ccc(OC[C@@H](O)CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1,-2.7000023971422538 |
| CS(=O)(=O)c1ccccc1C(=O)NCC(O)CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1,-3.100001582801352 |
| CCCc1ccc2c(c1)sc(=O)n2CCN1CCCCCC1,-2.4927603890268375 |
| CC1=CC(C)=[N+]2C1=C(c1ccc(OCCCN3CCCCC3)cc1)c1c(C)cc(C)n1[B-]2(F)F,-3.220631019448092 |
| CNC1CN(c2nc(N)nc3cc(C4CC4)cnc23)C1,-4.31999997279984 |
| CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1,-4.220000024222507 |
| CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1,-4.049999824155409 |
| CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1,-4.530000056216112 |
| O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,-1.462397997898956 |
| CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21,-2.633468455579586 |
| COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1,-3.012837224705172 |
| Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O,-2.709269960975831 |
| COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC,-3.1522883443830567 |
| C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42,-3.6754116937148633 |
| c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2,-3.62096843564429 |
| COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,-3.745777217889759 |
| COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC,-3.1332194567324945 |
| Cc1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1,-2.6009728956867484 |
| c1ccc(COc2ccc3c(c2)CCN(CC2CC2)CC3)cc1,-3.0 |
| c1cc2c(cc1OCCCN1CCCCC1)CCN(CC1CCCO1)CC2,-3.2999994961169836 |
| c1cc2c(cc1OCCCN1CCCCC1)CCN(CC1CC1)CC2,-3.2999994961169836 |
| c1ccc(N2CCc3ccc(OCCCN4CCCCC4)cc3CC2)cc1,-3.0 |
| c1cc2c(cc1OCCCN1CCCCC1)CCNCC2,-3.100001582801352 |
| O=C1CCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1,-3.4000006169763797 |
| CNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1,-3.1999991251967965 |
| CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,-1.6806074289917878 |
| CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1,-1.6994908452722044 |
| CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3,-0.4999618655961902 |
| Cc1nnc(C)n1-c1ccc(OCCCN2CCCCC2)cc1,-4.469999966644194 |
| Cc1nnc(-c2cccnc2)n1-c1ccc(OCCCN2CCCCC2)cc1,-4.02000018744495 |
| C[C@H](NCc1ccc(OCCCN2CCCCC2)cc1)C(N)=O,-4.500000046671104 |
| O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCN1CCCCC1,-3.7899999986888777 |
| O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(OCCCN2CCCCC2)cc1,-3.349999779126545 |
| Clc1ccc(CCCOCCCN2CCCCC2)cc1,-3.0599986301496913 |
| c1cnc(N2CCN(CCCc3nc4ccccc4s3)CC2)nc1,-2.861665814342345 |
| O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,-1.8388490907372552 |
| OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1,-2.108903127667314 |
| OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1,-2.844228581301628 |
| OC1(c2ccc(Cl)cc2)CCN(CCCSc2ccc(F)cc2)CC1,-2.060697840353612 |
| OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccc(F)cc1,-2.989894563718773 |
| OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1cccc(F)c1,-3.081707270097349 |
| OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F,-3.0038911662369108 |
| O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc2ncccc2c1,-2.041392685158225 |
| CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(OC)cnc32)CC1,-3.2911467617318855 |
| CCCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,-2.2329961103921536 |
| CC(C)COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,-3.1051694279993316 |
| C/C=C/C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,-2.184691430817599 |
| CC(C)CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,-2.460897842756548 |
| CCCCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,-2.167317334748176 |
| O=C(CC1CCCCC1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,-2.6444385894678386 |
| CC(C)C[C@@H](N)C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,-3.667172672478869 |
| NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,-2.204119982655925 |
| COc1ccc(CCN(CCCc2ccccc2)CCc2ccc3c(c2)OCO3)cc1OC,-3.11293997608408 |
| CN1CCN(c2nc3c(c(N4CCN(C)CC4)n2)-c2ccccc2CC3)CC1,-3.0700009038023452 |
| CN1CCN(c2nc(NCCc3ccccc3)nc3c2-c2ccccc2CC3)CC1,-3.2700006678154505 |
| COc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)-c2ccccc2CC3)cc1,-3.030000281592104 |
| CN1CCN(c2nc(NCc3ccccc3)nc3c2-c2ccccc2CC3)CC1,-3.279999836361079 |
| CN1CCN(c2nc(NCCc3ccccc3)cc(-c3ccccc3)n2)CC1,-3.289998975481485 |
| COc1ccc(CNc2cc(-c3ccccc3)nc(N3CCN(C)CC3)n2)cc1,-3.619999600500459 |
| CN1CCN(c2nc(NCc3ccccc3)cc(-c3ccccc3)n2)CC1,-3.4000006169763797 |
| CN1CCN(c2cc(-c3ccccc3)nc(NCCc3ccccc3)n2)CC1,-3.519999840669677 |
| COc1ccc(CNc2nc(-c3ccccc3)cc(N3CCN(C)CC3)n2)cc1,-3.719999619128844 |
| CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1,-3.0500005982857616 |
| COc1ccc(CNc2nc(N3CCN(C)CC3)nc3c2CCc2ccccc2-3)cc1-c1ccc(Cl)cc1,-3.799999762890647 |
| CN1CCN(c2nc(NCCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1,-3.910000258512931 |
| CN1CCN(c2nc(NCc3ccccc3)c3c(n2)-c2ccccc2CC3)CC1,-2.949999542859922 |
| CN1CCN(c2nc(NCCc3ccccc3)nc3c2CCc2ccccc2-3)CC1,-3.969999860022617 |
| COc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)CCc2ccccc2-3)cc1,-3.76000004729273 |
| CN1CCN(c2nc(NCc3ccc(F)cc3)nc3c2CCc2ccccc2-3)CC1,-3.289998975481485 |
| Cc1ccc(CNc2nc3c(c(N4CCN(C)CC4)n2)CCc2ccccc2-3)cc1,-3.5299997998772934 |
| CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1,-3.320000804264728 |
| CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1,-3.9600000764978143 |
| C=CCN(CC=C)CCc1c[nH]c2ccc(Br)cc12,-2.0 |
| C=CCN(CC=C)CCc1c[nH]c2ccc(C)cc12,-2.8299980886973795 |
| C=CCN(CC=C)CCc1c[nH]c2ccccc12,-2.099991233544684 |
| C=CCN(CC=C)CCc1c[nH]c2ccc(F)cc12,-1.899984562549391 |
| C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12,-2.0 |
| N#C/N=C(/NCCCc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1,-3.9708116108725178 |
| O=C1c2ccccc2C(=O)N1CCCCN1CCC2CCCCC2C1,-3.5600728932952803 |
| c1ccc2c(c1)CCN(CCCCc1c[nH]c3ccccc13)C2,-2.9211035577270756 |
| O=C(CCCN1CCc2ccccc2C1)c1ccc(F)cc1,-1.9360107957152095 |
| O=C(CCCN1CCc2ccccc2C1)c1ccccc1,-1.816572696026103 |
| N#Cc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,-2.224649583954163 |
| COc1ccc(C(=O)CCCN2CCc3ccccc3C2)cc1,-2.317572388326485 |
| O=C(CCCN1CCc2ccccc2C1)c1ccc(Cl)cc1,-2.777991979872234 |
| O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3cc(Cl)ccc3s1)CC2,-2.4300911880339493 |
| O=C1NCN(c2ccccc2)C12CCN(CCCCc1nc3ccccc3o1)CC2,-2.7291769432861974 |
| O=C1NCN(c2ccccc2)C12CCN(CCCCc1c[nH]c3ccccc13)CC2,-2.4380832887672357 |
| O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2nc3ccccc3o2)CC1,-2.70380277041051 |
| O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCCc2c[nH]c3ccccc23)CC1,-2.398348053733879 |
| C1=C(CCN2CCc3ccccc3C2)CCc2ccccc21,-3.158730280254146 |
| c1ccc(-c2ccccc2OC2CCNCC2)cc1,-2.500003068051693 |
| c1ccc(Cc2ccccc2OCCCN2CCCCC2)cc1,-1.1000257301078626 |
| c1ccc(Cc2ccccc2OCCCN2CCCCCC2)cc1,-1.299942900022767 |
| c1ccc(Cc2ccccc2OCCN2CCCC2)cc1,-1.2000292665537704 |
| c1ccc(Cc2ccccc2OCCN2CCCCC2)cc1,-1.4000196350651586 |
| c1ccc(OC2CCNCC2)cc1,-3.59999981394342 |
| c1ccc(Cc2ccccc2OCCN2CCCCCC2)cc1,-1.8000293592441343 |
| c1ccc(Cc2ccccc2OCCCN2CCCC2)cc1,-1.0 |
| c1ccc(Cc2ccc(OC3CCNCC3)cc2)cc1,-4.0 |
| c1cnc2c(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1,-1.299942900022767 |
| c1cnc2c(N3CCN(CCCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1,-1.899984562549391 |
| c1cnc2c(N3CCN(CCCCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1,-1.2000292665537704 |
| O=C(O)c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1,-2.400002345927956 |
| O=C(O)c1cnc2c(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1,-2.60000308662774 |
| N#Cc1ccc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc12,-3.0 |
| O=C(O)/C=C/c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1,-2.300008202553813 |
| O=C(O)CCc1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1,-1.1000257301078626 |
| O=C(O)CCc1cnc2c(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1,-1.599992177584098 |
| CCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(=O)O)ccc2c1,-1.2000292665537704 |
| CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(=O)O)ccc2c1,-1.1000257301078626 |
| O=C(O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1,-1.4000196350651586 |
| CS(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(C(N)=O)CC1)c1ccccc1S2,-0.9242792860618816 |
| CS(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(C(=O)O)CC1)c1ccccc1S2,-2.146128035678238 |
| Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCO[C@H](CCN)C1,-3.270911639410481 |
| Cc1oc(-c2ccco2)nc1CN1CCN([C@@H]2CCc3ccccc3C2)CC1,-2.096910013008056 |
| CC(C)(C)c1nc(CN2CCN(Cc3ccccn3)CC2)cs1,-3.0759117614827773 |
| CC(C)c1nc(CN2CC[C@H](c3ccccc3)C2)cs1,-2.507855871695831 |
| CCCc1nc(CN2CC[C@H](c3ccccc3)C2)cs1,-2.4913616938342726 |
| Fc1ccccc1N1CCN(CCCNc2cncc(Cl)n2)CC1,-2.1271047983648077 |
| Clc1cncc(NCCCCN2CCN(c3ccccc3)CC2)n1,-1.505149978319906 |
| Clc1cncc(NCCCN2CCN(c3ccccc3)CC2)n1,-1.6020599913279625 |
| Cc1cccc(N2CCN(CCNc3cncc(Cl)n3)CC2)c1,-3.3900514964589874 |
| Fc1ccc(N2CCN(CCNc3cncc(Cl)n3)CC2)cc1,-2.4800069429571505 |
| N#Cc1c(CN2CCN(CCc3ccccc3)CC2)cn2ccccc12,-1.5440680443502757 |
| c1ccc(-c2nc(CN3CCCN(c4nccs4)CC3)co2)cc1,-1.2787536009528289 |
| O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1nccs1,0.0969100130080563 |
| C[C@H](CNc1cncc(Cl)n1)N1CCN(c2ccccc2)CC1,-3.058426024457005 |
| Cc1ccn(CCN2CCC(Cc3ccccc3F)CC2)n1,-2.447158031342219 |
| Cc1cc(C)n(C2CN(CCCc3nc(-c4ccccc4)no3)C2)n1,-3.428620672671939 |
| CCOc1ccc([C@H](O)CN2CCN(c3ccccc3F)CC2)cc1,-2.8561244442423 |
| O=C(CO)NC[C@H]1CCN(Cc2csc(-c3ccccc3)n2)C1,-3.4085791254086675 |
| O[C@@H](COC[C@@H]1CCCO1)CN1CCN(c2ccccc2F)CC1,-3.62746827245971 |
| Cc1cccc(N2CCN(CCCNC(=O)c3cn[nH]c3C)CC2)c1,-1.6434526764861874 |
| COC[C@@H](C)N1CCN(c2cccc(F)c2C#N)CC1,-3.0453229787866576 |
| COC(=O)c1ccc(-c2nc(CN(C)C[C@@H]3Cc4ccccc4O3)c(C)o2)cc1,-3.440594261839831 |
| CO[C@@H]1CCCN(Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1,-3.5138831856110926 |
| c1ccc(CN2CCc3cc(N4CCOCC4)ccc3C2)cc1,-3.2402995820027125 |
| CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1,-2.683947130751512 |
| C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1,-2.4742162640762553 |
| C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1,-2.9390197764486663 |
| O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1,-2.7737864449811935 |
| O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1,-2.526339277389844 |
| CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1,-3.025715383901341 |
| CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1,-1.792391689498254 |
| OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,-0.3010299956639812 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-2.8561244442423 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCCc2ccc(F)cc2)CC1,-2.8561244442423 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-2.910624404889201 |
| COc1ccc(N(CCCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1,-3.847017097935354 |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,-3.0 |
| CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N,-3.5000003213429354 |
| Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1,-0.599992177584098 |
| Cc1ccncc1CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,-1.1099158630237933 |
| Cc1ncccc1CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,-0.9500239065233264 |
| Cc1ccc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cn1,-0.8800128383667718 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2cccnc2)CC1,-0.7000110623221123 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ccncc2)CC1,-0.899984562549391 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ccccn2)CC1,-0.4999618655961902 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ncccn2)CC1,-0.4999618655961902 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ccncn2)CC1,-0.7000110623221123 |
| Cc1cccc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1,-0.899984562549391 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ccccc2)CC1,-0.599992177584098 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(CC2CCCCC2)CC1,-0.4000196350651585 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(CC2CCCC2)CC1,-0.1000257301078625 |
| CCC(CC)CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,-0.2499317566341949 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(CC2CCC2)CC1,0.100015437450609 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(CC2CC2)CC1,0.1999706407558656 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C2CCCCC2)CC1,-1.299942900022767 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C2CCCC2)CC1,-0.599992177584098 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C2CCC2)CC1,-0.3300077008727592 |
| Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C2CC2)CC1,-0.4999618655961902 |
| CC(C)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,-0.0 |
| CCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,0.3799681048737026 |
| Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O,-3.8965262174895554 |
| FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12,-3.991226075692494 |
| FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12,-3.4149733479708178 |
| COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1,-0.9030899869919436 |
| COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1,-1.6020599913279625 |
| CCCN(CC[C@]1(O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1CCc2nc(N)sc2C1,-2.041392685158225 |
| O=C(O)c1cc(-c2ccc(C3CCNCC3)cc2)cc(-n2cc(-c3ccc(Cl)s3)nn2)c1,-2.230448921378274 |
|
|
