data/logP/test.csv

smiles,logP
OCc1cnc(C)c(O)c1C=NNC(=O)C,0.65
OC(=O)c1ccc(Cl)cc1Nc1ccc(Cl)cc1,4.97
[I-].CCCCCC[n+]1cc(C)cc(C)c1,-1.19
[CH3:9][C:6]1=[CH:7][CH:8]=[CH:11][C:10]2=[C:5]1[C:4]1=[C:13]([CH:12]=[CH:1][CH:2]=[CH:3]1)[CH:14]=[CH:15]2,5.08
c1ccc2N(CCN(C)C)C(=O)C(OC(=O)C)C(c3ccc(OC)cc3)Sc2c1,2.795
CC(=O)OC1CC2(O)C3CCC4CC(CCC4(C)C3CCC2(C)C1C1COC(=O)C=1)OC1CC(OC)C(=O)C(C)O1,1.65
CCNC(=O)COC(=O)c1ccccc1,1.28
CC(C)C,2.565
CNC12CCCCC1CC(=O)C1=CC=CC=C21,2.41
CCC1(CC)OC(=O)c2ccccc12,2.69
Cc1ccccc1C=CC(=O)C,2.6
CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,7.5
CC\C(C)=N\O,0.63
CC(C)N(CC1CN=C(N)O1)C(C)C,0.98
COC1CC(OC2CCC3(CO)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)OC(C)C1O,0.56
OC(=O)c1cc[s]c1,1.5
CC(C)[C@H]1CC[C@H](C)C[C@@H]1O,3.3
CN1C(=O)N=C(C2=CC=CC=C2)C2=CC(F)=CC=C12,1.87
CC1(CCl)CO1,0.81
C1=CC=C(C=C1)C2=CC=C(C=C2)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O,2.86
OCC1OC(CC1N=[N+]=N)N1C=CC(=O)NC1=O,-0.32
CCC(=O)OCN1C(=O)C(c2ccccc2)(c3ccccc3)NC1=O,2.8
ONC(=O)C(=Cc1ccccc1)C(=O)NCc2ccc(F)cc2,1.7
CN(C)C1=NC(=O)\C(S1)=C\C1=CC=C(O1)[N+]([O-])=O,1.14
CC(C)NC[C@@H](O)COC1=CC(NC(C)=O)=CC=C1,0.76
N1N=C(C)C(N(=O)=O)=C1C(=O)NC,-0.23
NC=O,-1.51
C1=Nc2c(O)ncnc2N1C(C=O)OC(C=O)CO,-2.11
CCC1=CC(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,0.31
CCCO\N=C(/C)C1=CC=CC(OC2=NC(OC)=CC(OC)=N2)=C1C(=O)OC,3.59
c1ccccc1CNC(=O)CN(C)C,1.11
O=P(NC)(OC)Oc1ccc(OC)cc1,1.06
CN(C)C(N(C)C)=S(I)c1c(C(=O)O)cccc1,-1.4
CC1=NC2=CC=C(CN(CC#C)C3=CC=C(C=C3)C(=O)NCC3=CC=CC(=C3)N(=O)=O)C=C2C(=O)N1,3.7
FC(F)(F)C1=CC=CC=C1NC(=O)C1CCC1,2.55
CCOC(=O)N1C=C(N=C1)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N)NC(=O)[C@@H]3CCC(=O)N3,-1.3
COc1ccccc1C=CC(=O)OCCOc2ccc(C=NO)cc2OC,3.56
CN(C)C(=O)NC1=CC(OC(=O)NC(C)(C)C)=CC=C1,1.66
OC(=O)\C=C/C1=CC=CC(O)=C1,1.79
N#CN=N(=O)c1cc[n](=O)cc1,-0.41
CC(=O)Oc1coc(CBr)cc1=O,0.51
NC1=NC(N)=NC(=O)N1,-0.19
COC1=C(O)C=CC(=C1)C1CC(=C)CCO1,2.31
CC(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C,4.3
CC(O)N1C(C)=NC=C1[N+]([O-])=O,-0.02
CCCCOC(=O)CCC(=O)O[Pt]1(Cl)(Cl)(NCCN1)OC(=O)CCC(=O)OCCCC,1.69
COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1,6.31
CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)NC=N1)CC2,2.0
CC1=NNC(C(=O)NC2CCCC2)=C1N(=O)=O,1.24
COc1ccccc1C(N)=O,0.86
CC1COC(C[n]2c[n]c[n]2)(O1)c1ccc(cc1Cl)Oc1ccc(Cl)cc1,4.25
O=C(CN1N(CC(=O)N2CCCCC2)C(=O)N(C1=O)C1=CC=CC=C1)N1CCCCC1,2.78
CCCC1CC(N(CC)C1)C(=O)NC(C(C)O)C1OC(SCC)C(O)C(O)C1O,1.91
S1N=C2SC(S(=O)(=O)N)=NN2C1=Nc3ccc(Cl)cc3,3.63
C\C(Cl)=C\Cl,1.76
C\C=C/C=C\C,3.01
CCCCCCC=O,2.42
COc1c[n]cc(Cl)[n]1,1.65
CCN(CC)C(=O)COC(=O)c1ccccc1,2.06
OC(=O)CCCCCO\N=C(\C1=CC=NN=C1)C1=CC=CC(=C1)C(F)(F)F,3.38
CN(C)S(=O)(=O)C1=CC=C(NC(=O)COC(=O)C=C(C)C)C=C1,2.26
CC(=O)C(F)(F)F,0.2
CCC(=O)O[Pt]1(N[C@@H]2CCCC[C@H]2N1)(OC(C)=O)(OC(=O)CC)OC(=O)CC,-0.341
CCOC(=O)/C(=C\C1=CC=C(C=C1)OC)/NC=O,2.22
c1ccc2oc(N(N)CCC(#N))nc2c1,0.9
NC(=O)C1CCCN1C(=O)C(CC1=CNC=N1)NC(=O)C1CCC(=O)N1,-2.46
C1CN1[P+](N2CC2)(N(C3=CC=CC=C3)/N=C\C4=CC=CC=C4)[O-],0.56
CCOC3N=C(c1ccccc1)c2cc(Cl)ccc2N(CCCl)C3=O,3.95
CC(C)(C(O)=O)[n]1[n][n]c2ccccc12,-0.2
COC(=O)C(=CC1=CC=C(I)O1)C#N,2.85
c1cc(F)ccc1NC(=O)OC,1.95
CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCSC1=C2N=CN=C2N=CN1,-0.23
CCC(CC)NC(=O)C1=CC=C(Cl)C(=C1)S(=O)(=O)N1CCCC1,3.6
CNC(=O)ON=C1C(C)(C)OCS1,0.82
COCC(O)CN1C=NC(I)=C1[N+]([O-])=O,0.89
NC1=NC(=O)\C(S1)=C/C1=CC=C(O1)[N+]([O-])=O,1.09
NC1=NC(=O)N(C=C1)C1OC(CO)C=C1,-1.55
OCCN1C(\C=C\C2=CC3=C(OCO3)C=C2)=NC=C1[N+]([O-])=O,2.03
CCCCCCNC(=O)C=COC1=CC(O)=C(O)C=C1,3.36
COC1=CC=C(C=C1)N1C(=S)N=C(N[C@@H]([C@@H](OC2=CC=C(Cl)C=C2)N2C=NC=N2)C(C)(C)C)C1(C)C,5.56
Cn1ccnc1CC3COc2ccccc2O3,1.93
S=C1NC=CC=N1,-1.11
CC1=CC2=C(C=C1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)C1=NC(=O)NC(=O)C1=N2,-1.46
[O-][N+](=O)C1=CC=C(C=C1)C1CSCN1,1.68
COC1(NC(=O)CSC(F)F)C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)CSc3nnnn3C,2.31
C\C(=N/N\C(N)=N\C1=CC=CC=C1)C1=CC=CC=C1,2.18
COC(=O)CCc1ccccc1,2.32
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)CC(C)(C)C)O)C)O)F)C,4.3
CC(=O)c1ccc(cc1)S(N)(=O)=O,0.2
Cc1ccc(cc1[N+]([O-])=O)C(O)=O,2.35
OC1=C(CC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC2=C1C=CC=C2,2.07
CC(C)N(C(C)C)C(=O)SC\C(Cl)=C/Cl,4.49
ClC1=CC(Cl)=C(C=C1)C1=C(Cl)C(Cl)=CC=C1Cl,6.22
NC(=S)NN\C=C1\C=CC(=O)C=N1,1.04
O[Pt](O)(Cl)(Cl)(NC1CCCC1)NC1CCCC1,-0.232
CCCCCCN(C)\N=N\C1=CC=C(C=C1)C(N)=O,3.69
NC1=NC2=C(N=CN2COCCOC(=O)C2=CC=C(CN3CCOCC3)C=C2)C(=O)N1,-0.05
S1C(C)=CN=C1c2ccc(C(C)C(=O)O)cc2F,3.55
[O:21]=[C:20]1[O:22][C:23]2=[CH:1][CH:2]=[CH:3][CH:4]=[C:5]2[C:6](=[CH:19]1)[C:7]1=[N:8][O:9][S@@:10](=[O:11])[N:12]1[C:13]1=[CH:18][CH:17]=[CH:16][CH:15]=[CH:14]1,2.16
Cc1[n]c([n]c(OC(=O)N(C)C)c1C)N(C)C,1.7
CCCCCC1=CC2=C(C3CC(=C)CCC3C(C)(C)O2)C(OC)=C1,7.62
NNC(=O)NCC(C)C,-0.84
CN1C=CC(=O)NC1=O,-1.2
CC1=C(C(=NO1)C2=CC=CC=C2)C(=N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4=O)(C)C)C(=O)O)[O-].[Na+],1.8
[O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl,3.48
c1cc(N(C)C(=O)CCC)ccc1S(=O)(=O)N(C)C,1.19
CCOC(=O)C1=CC=C(C=C1)\N=N\N(C)C(=O)OCOC(C)=O,3.44
c1cc2NC(SCCC(=O)O)=NS(=O)(=O)c2cc1Cl,1.43
CC(C)NC(O)\C=C\OC1=C2C=CC=CC2=CC=C1,3.48
CCCOC(=O)c1ccc(N)cc1,2.43
CN(CC1=CC=CC=C1)N\N=C1/N=CN=C1C(N)=O,1.54
COc1cccc(Cl)c1C(N)=O,0.59
O=C1C(Nc5ccccc5)=C(C)C(=O)C2=C1C(COC(=O)N)C3(OC)C(N4)C4CN23,1.3
CC(C)CC(NC(C)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(N)=O,-1.94
Nc1cc(c(Cl)cc1)[N+]([O-])=O,2.06
CCOCCCNC1=C2N=CN=C2N=CN1,1.15
CCOC(=O)c1cc[n]cc1,1.43
CCN(CC)C=NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)F,0.23
COC(=O)NC1=NCC(c2cc(F)ccc2)N1,1.41
c1c(Cl)cccc1Oc2c(Cl)c(Cl)c(Cl)cc2,6.07
CCCNc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,3.65
CCN(CC)C(=O)C1(CC1CN)C1=CC=CC=C1,2.03
O=NCC1=NC=CN1COCCC#C,0.67
CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(Cl)cc2,3.49
c1c(S(=O)(=O)N)ccc(OC)c1C(=O)NCC2CN(CC)CC2,0.64
c1cccc2c3ccccc3c3c(c21)c1ccccc1c1ccccc13,8.39
CNCCN(C)C,-0.2
CN(CC1=CC=C(Cl)C=C1)\N=N\C1=CC=C(C=C1)C(O)=O,4.85
C1CC2c3ccccc3CC2(N)CC1,2.94
CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1,5.0
CC(C)NCC(O)C1=CC=C(C=C1)S(C)(=O)=O,0.24
n1c(C(=O)OC)nccc1,-0.71
NCc1ccc(cc1)C(O)=O,1.03
CCCC(=O)NN,-0.62
Clc1cc(Cl)c(Cl)cc1Oc1cc(Cl)c(Cl)cc1Cl,6.72
CC1=CC(=O)C(=O)NN1,-0.3
C(C[N+]1=CC=CC=C1)C1=CC=CC=C1,-2.35
CCC(=O)O[C@](CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1,4.4
CCC\C(=N/OCC)C1=C(O)CC2(CCC(CC(C)(C)C)CC2)OC1=O,5.3
CCCCCC(=O)O[Pt]1(N[C@@H]2CCCC[C@H]2N1)(OC(=O)CCCCC)(OC(=O)CCCCC)OC(=O)CCCCC,3.03
CCC(=O)OCN1C=C(F)C(=O)NC1=O,-0.11
COC(=O)C1CC1S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O,1.33
Cc2ccc(Cl)c(Cc1ccc(Cl)cc1Cl)c2,6.38
C1C(C(=O)O)C2=CC=C(C(=O)c3cc(C(F)(F)F)ccc3)N2C1,3.69
FC1=CC(F)=C(F)C=C1F,2.71
[Cl-].CN1C=C[N+](CCBr)=C1\C=N\O,-2.44
c1cc(S(=O)(=O)N(C)C)ccc1N(C)C(=O)CCC(=O)OC,0.43
CC1=C([C@@H](C2=CC=C3OCOC3=C2)C2=C(C[C@@H](CC2=O)C2=CC=CS2)N1)C(=O)OCCC1=CC=CC=C1,5.44
COc1ccc(cc1)N(CCCC(O)=O)C(=O)c1ccc(Cl)cc1,2.7
COC1=CC(CC2=CNC(=N)NC2=N)=CC(OC)=C1OC,0.91
[Cl-].CN1C=C[N+](COCC(C)(C)CCl)=C1\C=N\O,-1.0
CCC(C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=C(C=CC=C2)C=C1)C(=O)N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)OC,-0.69314718
[OH:28][C:29](=[O:30])\[CH:31]=[CH:32]/[C:33]([OH:35])=[O:34].[CH3:14][CH2:13][O:12][C:10](=[O:11])[C@@H:9]([CH2:8][CH2:7][C:6]1=[CH:1][CH:2]=[CH:3][CH:4]=[CH:5]1)[NH:15][C@H:16]([CH3:17])[C:18](=[O:19])[N:20]1[CH2:27][CH2:26][CH2:25][C@H:21]1[C:22]([OH:24])=[O:23],1.64
C1CN1[P+](N2CC2)(N(C3=CC=CC=C3)/N=C\C4=CC=C(C=C4)Cl)[O-],0.35
OC(=O)C1=CC(=O)C2=CC=C(Cl)C=C2N1,1.05
[Cl-].CC(OC[N+]1=C(\C=N\O)N(C)C=C1)C(C)(C)C,-0.68
CCCCCCCC/C=C\CCCCCCCC(=O)OC,7.45
[Br-].CC1=CC=CC(C[N+](C)(C)C)=C1,-1.99
CC(C)=C1CC=C(C)CC1,4.47
CC(I)C(=O)N(C)C1=CC=C(C=C1)S(=O)(=O)N(C)C,1.39
CCCCC(=O)NC1=CC=C(F)C(=C1)[N+]([O-])=O,3.04
NCCCc1cc[n]cc1,0.4
OC(CNCc1ccccc1)CON=C(C2CC2)C3CC3,2.08
C1CCC(CC1)OC(=O)[C@H](CC2=CC(=C(C=C2)O)O)N,1.79
CCCCOC(=O)NCCn1c(C)ncc1N(=O)=O,1.22
c1cc(N(=O)(=O))ccc1C(O)C(CO)NC(=O)C(C)C,0.79
NC(CCC(O)=O)C(O)=O,-3.69
CN1C(C)=CC(=O)N1c2nc(C)nc(C)c2,0.24
[CH3:1][CH:2]([CH3:3])[NH:4][CH2:5][C@@H:6]([OH:7])[CH2:8][O:9][C:10]1=[CH:27][CH:26]=[CH:25][C:24]2=[C:11]1[N:12]([CH2:21][CH2:22][CH2:23]2)[C:13](=[O:14])[C:15]1=[CH:20][CH:19]=[CH:18][N:17]=[CH:16]1,1.63
CNNCC1=CC=C(C=C1)C(=O)NC(C)C,0.06
C(CCC1=CC=CC=C1)CNC1=C2N=CN=C2N=CN1,3.29
Clc1cc(N(=O)=O)ccc1S(=O)CC(=O)OC(C)C,2.01
c1c(C(F)(F)F)cc2C(C3)CC(N)C3c2c1,3.06
[Br-].C[N+](C)(C)Cc1cc(ccc1)C(F)(F)F,-1.35
CCCCSC1OC(CO)C(O)C(O)C1O,-0.54
CN1C(=O)Nc2n(CCOCC)cnc2C1=N,-0.4
O=C(Nc1cc(Oc2[n]cc(cc2Cl)C(F)(F)F)c(Cl)cc1)NC(=O)c1c(F)cccc1F,5.1
[Cl-].CN1C=C[N+](CCCOC(=O)C2=CC(=CC=C2O)N(=O)=O)=C1\C=N\O,-0.71
c1c(CN2CCOCC2)cccc1C(=O)Nc3c(C)cccc3C,2.14
CN(C)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc2\1,5.18
n1c(C)nc(OC)cc1n2nc(C)cc2OC,1.54
ClCC(Cl)(Cl)Cl,2.62
COc1ccccc1NC(=O)OCCN2CCCCC2,2.91
CN(CC1=CC=C(C=C1)C#N)\N=N\C1=CC=C(C=C1)C(O)=O,3.6
CCCCCCOC[N+]1=C([NH+](C=C1)C)/C=N/O.[Cl-],-0.11
O=N(=O)c1cc(C)ccc1S(=O)(=O)NC(=O)C(CC)CC,2.67
[Cl-].CN1C=C[N+](COC(C)(C)C#C)=C1\C=N\O,-1.62
CN(C)C(=O)c2cn1c(C)c(C)nc1c3OC(CCc23)c4ccccc4F,3.6
S1C(N(=O)=O)=CN=C1N=C2N(C)CC(C)N2,1.95
CCCCCC(O)\C=C\C1C(O)CC(=O)C1CCCCCCC(O)=O,3.09
COC(=O)c1ccc(cc1)C(=O)OC,2.25
CC(C)CN,0.9333333333333332
NC(CO)(CO)CO.CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,-0.12
CN(C)\N=N\C1=C(C=CC=C1)C(=O)NNC(C)=O,1.18
C[C@H](N1N=C(C(Cl)=C1C)C(F)(F)F)C(=O)N1CCOCC1,3.08
[CH3:1][C@H:2]([O:3][P@:4]([CH3:5])([F:6])=[O:7])[C:8]([CH3:9])([CH3:10])[CH3:11],1.78
CN(C)C1=CC=C(C=C1)\N=C1/SN=C2SC(=NN12)S(N)(=O)=O,2.32
c1nc(N)nc(N)c1Cc2cc(OCC)c(OC)cc2,1.2
CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,0.16
[H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,1.08
O[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1NC(=O)OCC1=NC=CC=C1)[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1NC(=O)OCC1=NC=CC=C1,-2.65926
CC1=NC2=C(C(=O)N1)C(SC1=CC=NC(C)=C1)=C(C)C=C2,2.45
CN1C(C(=O)NC2=NC=C(C)S2)=C(O)C2=C(C=CC=C2)S1(=O)=O,3.22
CCC(C)C(NC(=O)C(N)C(C)C)C(=O)NCC(O)=O,-0.45
[OH2:30].[OH2:31].[OH2:32].[H:16][C:15]([NH2:17])([C:13](=[O:14])[NH:12][C:10]1([H:11])[C:25](=[O:26])[N:1]2[C:9]1([H:27])[S:8][C:7]([CH3:28])([CH3:29])[C:2]2([H:3])[C:4]([OH:5])=[O:6])[C:18]1=[CH:19][CH:20]=[C:21]([OH:24])[CH:22]=[CH:23]1,0.87
O=C1C=C2CCCCC2N=C2CCCN12,0.83
Cc1ccc(NN=C(C#N)C#N)c(c1)N(=O)=O,2.5
[O-][n+]1ccc(c2ccccc12)[N+]([O-])=O,1.0550000000000002
CC(C)(C)CO,1.335
CC(C)C[C@H](NC(=O)CN)C(=O)NCC(O)=O,-1.23
n1ccccc1OC,1.34
COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,10.0
n1c(OC)cncc1C(=O)OCC,1.2
CC1=CC=C(C=C1)C(O)(CC#C)C1=CC=CN=C1,1.83
CCOC(=O)c1cccc2N(CCN(C)C)C(=O)C(OC(C)=O)C(Cc12)c3ccc(OC)cc3,4.2
[NH3+][C@H](CC1=CC(O)=C(O)C=C1)C([O-])=O,-1.7
CN1C2=CC=C(C=C2C(=NCC1=O)C1=CC=CC=C1C(F)(F)F)N(=O)=O,2.45
Cc1cc(C#CC)[n]c(Nc2ccccc2)[n]1,3.345
O=C1NC(=O)C2(CCC2)C(=O)N1,-0.27
[Cl:1][CH2:2][C@@H:3]([Cl:7])[CH:4]([Cl:5])[Cl:6],2.6
CC(C)CC(NC(=O)CNC(=O)C(N)CC1=CC=CC=C1)C(O)=O,0.6
[F:5][CH2:4][CH2:3][CH2:2][Br:1],1.44
C[C@@H](C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1,3.99
CC(=O)Nc1c(cccc1C)[N+]([O-])=O,0.61
CC1C(=O)C(Cc2c[n]ccc2)=C(C)C(=O)C=1C,2.55
C1C(=S)OCC1,0.6
CO\N=C(\C(=O)N[C@@H]1[C@@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1,-1.36
CC(C)NCc1c[n]ccc1,0.82
[O-][N+](=O)\C=C\C1=CC=CS1,1.96
S1C(=NC(=O)C)N(C)C(=O)C1=Cc2ccc(N(=O)(=O))o2,1.21
C[C@H](OC1=CC=CC=C1)C(=O)N[C@@H]1[C@@H]2SC(C)(C)[C@H](N2C1=O)C(O)=O,2.28
NC1=CC=C(C=C1)S(=O)(=O)\N=C1/NC=CC=C1,-0.02
n1cc(N(=O)(=O))cc(Cl)c1Nc2c(N(=O)(=O))cc(N(=O)(=O))cc2C(F)(F)F,2.8
[O-][N+](=O)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1,2.14
OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O,-4.9
OC1=CC2=C(CC3C4CCCCC24CCN3CC=C)C=C1,3.48
N#CCCOC(=O)Nc1cc(OCC)c(OCC)cc1,2.07
CCOC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2,1.07
OC1C(n2c3c(c(ncn3)NC)nc2)OC(C1O)CO,-0.52
CC(C)(C)NCC(O)COC1=NSN=C1N1CCOCC1,1.83
ON=Cc1ccc(F)cc1,2.03
CC1=C(SC=C1)C(=CCCN1CCC[C@H](C1)C(O)=O)C1=C(C)C=CS1,2.6
O=CN(Cc1ccccc1)c1ccccc1,2.62
CNC(=O)Oc1cc(ccc1)[N+]([O-])=O,1.39
CC(C)(C)[N+](\[O-])=C\C1=CC=NC=C1,0.4
CSc1ccc(cc1)OP(=O)(OCC)OCC,2.79
s1cc(CC(=O)N(C)C)cc1,0.65
CCC(C)NC(=O)C(\SC1=CC=CC=C1)=C/C1=CC=CC=C1,4.36
CCCCCCOC(=O)C1=CC(=O)NC(=O)N1,1.76
[Cl-].CN1C=C[N+](CCCNS(=O)(=O)C(F)(F)F)=C1\C=N\O,-1.26
COC1=C(O)C(OC)=C2C(CCC(NC(=O)C(F)(F)F)C3=CC(=O)C(OC)=CC=C23)=C1,1.67
OCC1OC(CC1F)N1C=CC(\N=C\N2CCCC2)=NC1=O,-0.16
CCCNC(=O)CCC(=O)NCc1c(O)c(=O)cc(C)n1C,-0.7
c1ccccc1P(c1ccccc1)c1ccccc1,5.69
CC(=O)NC(CCCCNC(=O)NCC=C)C(=O)NCc1ccccc1,0.76
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=CC=C1)C(O)=O,0.4
c1cc2S(=O)(=O)NC(C3=CCCC3)=Nc2cc1,1.69
CN(C)CC[C@@H](C1=CC=C(Cl)C=C1)C1=NC=CC=C1,3.39
[NH2:5][C@H:4]([CH2:6][SH:7])[C:2]([OH:3])=[O:1],-2.49
C1C=CC=CC=CC=1,3.08
CC(=O)O[Pt]1(N[C@@H]2CCCC[C@H]2N1)(OC(C)=O)(OC(C)=O)OC(=O)C(C)(C)C,0.049
Oc1ccccc1-c1ccccc1,3.09
O=C(NC12CC3CC(C1)CC(C2)C3)NP(=O)(N1CC1)N1CC1,1.81
CCNCCNCC,0.21
CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,3.3150000000000004
O=C1NC=C(C(=O)N1)C(F)(F)F,0.04
CCCc1nc(N)nc(n1)N2CCCCC2,2.55
C1CN(c2ncccc2)CCN1CC3OC(N)=NC3,0.48
NS(=O)(=O)c1cc(cs1)S(=O)(=O)c2ccccc2CNCc3ccccn3,-0.52
n1c(Cl)cncc1OCCC,2.71
O=C1C=C(SS1)c1ccccc1,3.01
COC1=C(C=C(C(=C1)N)N)OC.Cl[Pt]Cl,-0.47
CN(C)C(=O)OCC1=CC=CC(OC2=CC=CC=C2)=C1,3.55
CC(=O)C1=C2CCC(C)(C)C2=CC(=C1)C(C)(C)C,5.9
CC(C)c1cc(OS(=O)(=O)C2(CCC3CC2=O)C3(C)C)c(C)cc1OCCN(C)C,4.37
[Cl-].CCC(OC[N+]1=C(\C=N\O)N(C)C=C1)C#C,-1.49
O=P(SC)(OC)NCC(C)C,0.97
[CH3:9][CH:8]([CH3:10])[C@@H:3]1[CH2:4][CH2:5][C@H:6]([CH3:7])[CH2:11][C@@H:2]1[OH:1],3.3
CC(=O)c1c2OC3=CC(=O)C(C(=O)C3(C)c2c(O)c(C)c1O)C(C)=O,2.88
O=C1c2ccccc2N=C2C=CC=CN21,2.04
CC(C)N1C(=O)c2ccccc2NS1(=O)=O,2.585
Nc1cc2[n]cc[n]c2cc1,0.9
C[C@@]12CC[C@@H]3[C@H](CCC4=CC(O)=CC=C34)[C@H]1C[C@H](O)[C@H]2O,2.45
ClC1=CC(N\C=N\OCC2=CC=CC=C2)=CC(Cl)=C1OCC#C,4.2
CN(CCNC(=O)C1=CC=CC2=CC3=C(C=CC=C3)N=C12)CCNC1=[N+]([O-])C2=C(C=CC=C2)[N+]([O-])=N1,2.15
NC(Cc1ccccc1)C(=O)OCn2ncc3C(=O)NC=Nc23,0.4
Cc3oc2c(C)cc1ccc(=O)oc1c2c3C,3.34
CCCCN1C=NC2=C1NC=NC2=N,1.25
c1c(CNC(=O)C)cccc1OCC(O)CNC(C)C,0.34
CN(C)C=NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)F,-0.64
Cc2coc3nc1oc(=O)c(C)c(C)c1cc23,2.25
CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1,7.44
c1ccc2C(=CCCN(C)C)c3ccccc3CCc2c1Cl,5.55
CCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,-2.28
CC1=CC=C(C=C1)N1[C@@H](NC2=CC=CC=C2C1=O)C1=CC=CC(=C1)[N+]([O-])=O,4.18
c1ccccc1Oc2c(Cl)c(Cl)c(Cl)cc2,5.55
[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O,-0.58
CCCCCCN(SN(C)C(=O)O\N=C(/C)SC)C(=O)N(C)C,3.3
C1(=O)NC(=O)C(C(C)(C)C)(CC=C(C)C)C(=O)N1,2.56
CC1=CC=C(C=C1)N1C(=S)NN=C1CN1C=CC2=CC(=CC=C12)N(=O)=O,3.17
CCC(C)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(C)[NH3+])C([O-])=O,-2.04
Oc2ccc1C(=O)N(CCON(=O)=O)COc1c2,1.63
c1cc2N(CCCOC(=O)C)C(=O)C(OC(=O)C)N=C(c3ccccc3)c2cc1Cl,3.08
CC1=NC(\C=N\O)[S]=N1,1.29
C1=CC2=NN(C3CCCCC3)N=C2C=C1NC(=O)c4cc(Cl)c(Cl)cc4,5.85
C1=NC2=C(NN=C2C(=N1)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,-1.42
CC(C)=C[C@@H]1[C@@H](C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C,2.9
ClC1=CC=C(C=C1)N1C(SCC(=O)NC2CCCCC2)=NC2=CC=CC=C2C1=O,4.92
c1ccccc1C=NN(c4ccccc4)P(=O)(N2CC2)N3CC3,0.56
CCCCCCN(C)C(=O)c1cc(ccc1)Oc1ccccc1,5.01
C[C@]12CC([C@@H]3[C@@H]([C@H]1CC[C@@]2(C(=O)COC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)CCC5=CC(=O)C=C[C@]35C)O,0.27
CC(=O)N(C)Nc1ccccc1,1.31
CNC(=S)NCCSCC1=CN=CN1,0.16
CCCC[C@@H](CC)COC(=O)C1=CC=CC=C1C(=O)OC[C@H](CC)CCCC,7.88
CNC(=O)Oc1cc(I)ccc1,2.52
c1cccc(N(=O)=O)c1SCC(=O)OC,1.88
O=C(NC1=O)C(C2=CCCCC2)(C)C(N1)=O,1.6
C(/C=C/c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1,5.77
CCCC[C@@H]1C(=O)N(N(C1=O)C1=CC=C(O)C=C1)C1=CC=CC=C1,2.72
CCCCC(=CC1=CC=CC=C1)C(=O)NC(C)CC,4.07
n1cncc(OCC)c1,0.56
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,3.08
COC1=CC=C2C3CCC4(C)C(CCC4(O)C#C)C3CCC2=C1,4.6
c1ccc(O)cc1NN=C(C#N)C#N,2.28
n1c(SC(F)F)nc(NCCC)nc1NC,3.28
OC(=O)COc1cc(C(C)(C)C)ccc1,2.96
O1C2C=C(C)C(OC(=O)C)CC(O)C(C)=CC(OC(=O)C(C)=CC)C2C(=C)C1=O,1.16
CC(C)N\C(NS(=O)(=O)C1=CN=CC=C1NC1=CC=CC(Cl)=C1)=N/C#N,2.14
C1CCCN1P(=O)(N(CC)CC)N(CC)CC,2.39
C1=C(NC(=O)N(C1=O)CCO)C(=O)O,-1.48
CN(/N=C\C1=CC=CC=C1)[P+](N2CC2)(N3CC3)[O-],0.51
CC(C)CN1C(=O)NC(=O)C(=O)C1=O,0.76
CC1=NSC(C=NO)=N1,1.29
[CH3:15][C:14]1=[C:12]([OH:13])[C:11](\[N:10]=[N:9]/[C:8]2=[CH:1][CH:2]=[C:3]([Cl:4])[C:5]([Cl:6])=[CH:7]2)=[C:21]([CH3:22])[C:18]([C:19]#[N:20])=[C:16]1[OH:17],3.74
CCS(=O)(=O)CSP(=S)(OCC)OCC,1.99
COc1cc(C=C(C(=O)OCC)C(=O)OCC)ccc1,3.18
ClC1(Cl)CC1(c1ccccc1)c1ccccc1,4.88
NNC(=O)NC1=CC(Br)=CC=C1,0.96
NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1,4.44
C\C=C\OCC(O)CN1C=CN=C1[N+]([O-])=O,0.28
OCCOCCO,1.3
O1C(CO)C(O)CC1N2C(=O)N=C(NC(=O)c3ccccc3)C=C2,0.67
NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC1C(O)=O,-0.98
CC(=O)Nc1c(F)cc(Br)c(C(F)(F)F)c1,3.17
c1ccc2C=Cc3cccc1c32,3.985
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]\[CH:7]=[CH:8]/[CH2:9]\[CH:10]=[CH:11]/[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:18]([OH:20])=[O:19],7.05
Cc1ccc(Cl)cc1NC(C)=O,1.82
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)F,0.21
c1cc(S(=O)C)cc(OC)c1C2=CN3C=CN=C(OC)C3=N2,1.49
CON=CNc1cc(Cl)c(OCC#C)c(OCC#C)c1,2.3
c1cc(C2=NC=C(C)N2)cc(OC)c1OCC(O)CNCCc3cc(OC)c(OC)cc3,1.89
CCCOC(C)=O,1.24
Clc1c2c(oc3c2ccc(Cl)c3Cl)c(Cl)cc1Cl,6.39
Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[N+]([O-])=O,2.14
[Cl-].CCC(OC[N+]1=C(\C=N\O)N(\C=C\C)C=C1)C#C,-0.94
CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1,4.39
BrC1=CC=C(C=C1)N(=O)=NC#N,2.5
C1=CC=C2C(=C1)C=C1C=CC3=CC=NC4=CC=C2C1=C34,5.0
COc1cccc(NC(=O)OCCN2CCOCC2)c1,2.19
CC(=O)Nc1ccccc1NC(C)=O,-0.03
o1c(CC(=O)N(C)C)ccc1,0.01
CO\N=C(/CC1=CN=CC=C1)C1=C(Cl)C=C(Cl)C=C1,3.7
CC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)N,-0.14
CS(=O)(=O)C1=CC=C(C=C1)[C@H](O)[C@H](CO)NC(=O)C(Cl)Cl,-0.27
OC(=O)Cc1ccc(S(=O)(=O)F)cc1,1.86
OC(=O)c1cc(C(=O)C)ccc1,1.56
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)Br)N)O)OP(=O)(O1)O,-2.27
C=CC(=O)c1ccccc1,1.88
O=C(OC2CC(CC(C2)C)(C)C)COc1ccc(cc1)F,1.64
CSC(=S)N1CCOCC1,0.49
NC(=S)c1ccc[n]c1,0.67
CC(CCCc1ccccc1)Oc4cc3NC(C)C2CCC(O)CC2c3c(OC(C)=O)c4,5.720000000000001
Nc1[n]c2c([n]c[n]2[C@H]2CC[C@@H](CO)O2)c(N)[n]1,-0.46
COC1=CC=CC(=C1)\N=C1/SN=C2SC(=NN12)S(N)(=O)=O,2.66
O=C1CC(C(=O)O)CN1CCCCCCCCCCCC,2.6
n1c(c2ccc(OC)cc2)c(c3ccc(OC)cc3)nc(C#N)c1,3.7
ClC1=CC=CC=C1C1=C(Cl)C(Cl)=C(Cl)C=C1Cl,6.5
OC(=O)COc1ccc(cc1)C=O,0.79
COC1=C(OC)C=C(CNC(=O)\C=C/C2=CC(O)=C(O)C=C2)C=C1,1.99
Cc3c(C)c2cc1ccoc1c(C)c2oc3=O,3.25
O1C(C)C(OC)C(O)CC1OC(C(C)O2)C(O)CC2OC(C(C)O3)C(OC)CC3OC4CC5CCC6C7(O)CCC(C8=CC(=O)OC8)C7(C)C(O)CC6C5(C)CC4,2.14
Cc1ccccc1C(=O)OC,2.75
N(C(C)C(=O)NC(C)(C)C)C(=O)CNC(=O)C(C)NC(=O)C,-0.6
N#CC1=NC(=NC(=N1)N(C1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1,5.38
CC1(C)C(C(=O)O[C@@H](C#N)C2=CC(OC3=CC=CC=C3)=CC=C2)C1(C)C,6.0
CCC(=O)C1(CCN(C)CC1)c2cccc(O)c2,1.02
O=C(NC(=O)Nc1cc(Cl)c(cc1)OC(F)(F)C(F)OC(F)(F)F)c1c(F)cccc1F,5.27
c1c2ccc3ccccc3c2cc2c3ccccc3ccc21,6.8293333333333335
c1ccccc1C#Cc1ccccc1,4.78
CCOC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC(OCC)=N1,2.4
O1CCN(C)CC1(OCCCC)c2ccccc2,2.23
C1(=O)C=C2C(F)CC3C4CC5C(C(=O)CO)(OC(C)(C)O5)C4(C)CC(O)C3(F)C2(C)C=C1Cl,2.99
Cc1ccccc1OC(C)=O,2.02
CC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1,0.54
CCN(CC(=O)NCc1ccccc1)CC,2.14
[CH3:15][C:14]([CH3:16])=[CH:13][CH2:12][CH2:11][C@:5]([CH3:6])([CH2:4][C:2]([CH3:3])=[CH2:1])[O:7][C:8]([CH3:10])=[O:9],4.36
N1N=C(C)C(N(=O)=O)=C1C(=O)N2CCCCCC2,1.15
Cc1:[nH]:c(N):c:c2:[n]:c3ccccc3:c-2:1,1.97
COC(=O)C1(CCC1)S(=O)(=O)c1ccc(Cl)cc1,2.28
CN1C(Cl)=C(Br)C(Br)=C1C1=C(Br)C(Br)=C(Cl)N1C,6.5
CCN1C=C(C(O)=O)C(=O)c2c[n]c([n]c12)N1CCNCC1,-2.15
CNC(=O)NNC,-1.57
CCC(C)(O)CC,1.39
CN(C)C(=S)NNC(=S)NN=C(C)c1ncccc1,1.25
CCCCCCCCCCCCOC(=O)C(C)=C,6.57
CC(C)c1cc(ccc1[N+]([O-])=O)OP(=S)(OC)OC,4.05
CCSCCOC(=O)C1=C(C)NC2=C([C@@H]1C1=CC=C(C=C1)C(=O)OC)C(=O)C[C@H](C2)C1=CC=CS1,5.24
OC1=C(O)C=C(\C=C/C(=O)NCC2=CC=CC=C2)C=C1,2.48
CC(C)OC(=O)c1ccccc1,3.18
n1c(N)nc2ncc(CNc3ccc(C(=O)C)cc3)c(C)c2c1N,1.45
C(F)(F)(F)c1ccccc1C(=O)N(C(C)(C)C)NC(=O)c2ccccc2,2.85
CC1=C(CSCCNC2=NC(=O)CN2)NC=N1,-0.5
CCCN(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)NCCCl,1.13
O=P(N1CC1(C)C)(N2CC2(C)C)NC(=O)NC3CC(C)(C)NC(C)(C)C3,0.55
CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(C)=O,2.15
Clc1ccc(cc1)N2CC(=CC2=O)N3CCOCC3,1.9
O=P(OCC)(OCC)Oc1cc(C)c(SC)cc1,3.28
c1cc2C(CCCCCC)OC(=O)c2cc1N,3.65
CCCCOc1ccc(cc1)[N+]([O-])=O,3.5
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,3.94
OCCN2C(=O)C(O)N=C(c1ccccc1)c3cc(Cl)ccc23,1.53
N1=NN(C(C)(C)C)N=C1Oc(c2)ccc(c2)NC(=O)N(C)C,2.08
NCCCCCC(=O)Nc1c(C)cccc1C,1.29
BrC1=CC=C(NC2=NCCN2)C=C1,1.75
CCCCCCNC1=NC=NC2=C1N=CN2,3.16
n1c(Cl)cncc1F,1.16
[Cl-].CN1C=C[N+](CCCOCC#C)=C1\C=N\O,-2.27
C(CCOCC1CO1)COCC1CO1,0.01
CC(C)=CCCC1=CCC(CC1)C=O,4.7
NC(CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,-1.25
OC1=CC(=O)C=CC=C1,0.81
CCC(C)C(NC(=O)C(NC(=O)C(N)CC(C)C)C(C)O)C(O)=O,-2.3
COC(=O)N(C(=O)N1COC2(CC3=CC(Cl)=CC=C3C2=N1)C(=O)OC)C1=CC=C(OC(F)(F)F)C=C1,4.65
N#Cc1ccc(cc1)[N+]([O-])=O,1.19
c1ncc2nc(c3c(OC)cc(OC)cc3)n(C)c2c1,2.66
OCC1CCC(O1)N1C=NC2=C(F)N=CN=C12,0.0
COc1cccc(c1)n2nnnc2N,0.96
CCCCCCCCCCCc1cccc(O)c1O,6.3
CC=NO,-0.13
OCC(CO)(CO)NOC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1,-0.59
CCCCC1=CC(=C2C=C(C=CC=C12)C(C)C)S(=O)(=O)O[Na],0.1
CCC(C)C(N)C(=O)NC(C)C(=O)NC(C(C)C)C(O)=O,-0.21
COC(=O)C1C(\C=C2\CCSC2=O)C1(C)C,2.33
[CH3:4][CH:3]([CH3:5])[C@@:2]12[CH2:7][CH2:8][C@@:9]([CH3:10])([O:6]1)[C@@H:11]([CH2:1]2)[O:12][CH2:13][C:14]1=[C:19]([CH3:20])[CH:18]=[CH:17][CH:16]=[CH:15]1,4.62
c1ccccc1CC(C(=O)N)NC(=O)C(N)Cc2ccccc2,1.13
COc1cc(Cc2c[n]c(N)[n]c2N)ccc1OCC,1.34
c1ccccc1Oc2c(Oc5ccccc5)c(N)c3C(=O)c4ccccc4C(=O)c3c2N,5.19
c1cc(F)ccc1C(O)(CN2C=NC=C2)c3ccc(F)cc3,2.95
CN1CCC=C1c1ccc[n]c1,1.13
CN1C2=C(NC(=O)N(C)C2=O)NC1=O,-0.22
Clc1c(Cl)c(ccc1Cl)-c1cc(Cl)c(Cl)cc1,6.720000000000001
CCOC(=O)C(=C/C1=CC=CC=C1)\S(=O)(=O)C1=CC=C(C=C1)N(=O)=O,3.2
CCOc1c[n]c(Cl)c[n]1,1.99
NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,-1.9
CCC(=O)O[Pt]1(N)(N)(OC(=O)CC)OCC(=O)O1,-1.638
C1(CCCC2)=C2SSC1=O,2.4
OCCCNC(=O)C1=CN(CCO)C(=O)C=C1NC1=CC=C(I)C=C1F,1.7
CC1(C)[C@@H]2C[C@H]1C(=C)CC2,4.16
CCCCCCCC(C)=O,3.16
NS(=O)(=O)c1ccc(cc1)SCCO,0.36
CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,-1.8
CCC\C(=N/OCC=C)C1=C(CC(C)(C)C(C(=O)OC)C1=O)O[Na],-0.2
COc1cc(ccc1)NC=O,1.25
CC(=O)c1ccc(Cl)cc1O,2.97
C#CCN,-0.43
COC(=O)C(=C\C1=CC=CO1)\N(=O)=O,1.88
S=P(OCC)(OCC)Oc1c(C)cc(SC)cc1,4.16
Clc1c(Cl)c(Cl)ccc1Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl,7.84
OCCN1C(=O)C2=CC=C(C=C2C1=O)C1=CC2=C(C=C1)C(=O)N(CCO)C2=O,3.19
c1c(N(=O)=O)cccc1OCC2CN=C(N)O2,1.23
CCO\C(=C/C(=O)NC(C)CC)C1=CC=CC=C1,3.2
CC(=O)OCCN1CCS/C/1=N/c1[n]cc([s]1)[N+]([O-])=O,1.88
ClC1=CC=C(Cl)C(=C1Cl)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl,6.41
CC(C)NNC(=O)C(C)(C)OC1=CC=CC=C1,1.88
NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=NN1C1=CC=CC=C1,1.52
O=C(NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NC(=O)C2=CC=CS2)C=C1)C1=CC=CS1,4.46
CCCCCC1=CC(=C2[C@@H]3CC(=CC[C@H]3C(OC2=C1)(C)C)C)O,7.41
CC1=CCC(CC1)C(=C)CO,3.17
C1N=C(N)OC1CN(C2)CCN(C2)c3cc(OC)ccc3,0.87
CC(=O)Nc1c(C)c(C)c(O)cc1C,0.995
O=CC1=CC(=O)NC(=O)N1,-1.03
CCCCCCCNC(=O)c1ccccc1,3.94
[O-][N+](=O)C=Cc1cccc(O)c1,2.07
COc1ccccc1C(=O)N(C)C,0.71
CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2,1.1
CCCCC(C)CC(O)\C=C\C1C(O)CC2CC(CCOCC(=O)OC)CC12,4.5
COC1=CC=C(C=C1OC)C1=C(N)ON=C1C,1.52
n1c(N)nc(N)nc1c2ccc(Cl)cc2Br,2.09
CC(C)C(=O)c1ccccc1,2.73
CCC1(CCC2=CC=CC=C2)C(=O)NC(=O)N(C)C1=O,3.14
COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1,2.975
CC1OC(CC(O)C1OC1CC(O)C(OC2CC(OC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1)OC1CCC2(C)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1,1.23
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N(C)CC(CO)O)I)C(=O)NCC(CO)O)I,-2.06
CC(C)NNC(N)=O,-1.3
CCOC(=O)/C(=C\C1=CC=C(C=C1)[N+](=O)[O-])/NC=O,2.05
CC(=O)[n]1c[n]cc1,-0.34
NC(=O)Nc1ccccc1Cl,1.27
CC1(CC(C(N1[O])(C)C)N(C(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)N=O)C,1.81
CN1COCc3c1ccc4cc2ccc(N)c(CO)c2nc34,1.64
CCCCC#CCO,2.0
C[Si](C[n]1c[n]c[n]1)(c1ccc(F)cc1)c1ccc(F)cc1,3.785
OC(=O)CCCCCO\N=C(\C1=CC=CC=C1)C1=CN=CN=C1,2.91
N1=CN=CN1C2CCCCC2(O)c3cc(Cl)ccc3Cl,3.24
C=CCN(CC=C)c1cc(N)[n+]([O-])c(N)[n]1,1.6
CC1CCC2(CC3CC(CC=C(C)CC(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)OC1C,5.3
Nc1nc(S)c2ncn(C3CCC(CO)O3)c2n1,-0.59
O=C(Nc1ccc(cc1)OC(F)(F)F)NC(=O)c1ccccc1Cl,4.91
O=N(=O)c1cccc(c1)C(=NNC(=S)Nc2ccccc2)c3ccccn3,3.35
C(Cl)(Cl)(Cl)c1nc(C)nc(NCc2ccccc2)n1,3.86
CNC(=O)Oc1ccc(cc1)C#N,0.95
c1cc(Cl)ccc1Oc2c(Cl)cc(Cl)cc2Cl,5.92
CCCCNC(=O)c1ccc[n]c1,0.9
CO\N=C\NC1=CC(F)=C(OCC#C)C(OCC#C)=C1,1.8
NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2,1.95
CC1=CC=NC2=C1NC(CC1=NC3=C(N1)C=C(C=C3)C(N)=N)=N2,1.2
COC1=CC=C(C=C(C(OCC)=O)NC=O)C=C1,2.22
CCOCOCC,0.84
[Cl:1][C@@H:2]1[CH2:3][C@@H:4]2[C@H:5]([C@H:6]1[Cl:7])[C@@:8]1([Cl:9])[C:10]([Cl:18])=[C:11]([Cl:12])[C@:13]2([Cl:14])[C:15]1([Cl:16])[Cl:17],6.22
c1cc2c3ccccc3ccc2c2ccccc21,5.737
OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl,1.02
CCCCCCCCCCCCN(C)\N=N\C1=CC=C(C=C1)C(N)=O,6.58
CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1,4.35
c1cc2NC(SCC(=O)O)=NS(=O)(=O)c2cc1,0.18
CC(CC)SP(=O)(OCC)N1CCSC1=O,1.68
CON=C(C(=O)NC2C1SCC=C(C(C)OC(=O)OC(C)C)N1C2=O)c3csc(N)n3,1.37
CCN1C=CC(CN(C)C(=O)C2=CC=CC=C2COC2=CC=C(F)C=C2F)=N1,4.43
c1ccc2Cc3ccccc3C(C(=O)O)c2c1,2.725
c1cc(OCC(O)CNCCOCC)ccc1C2=NC=C(C3=CC=CS3)N2,2.25
CN1C(=O)Nc2[n]c[n](C)c2C1=O,-0.22
Cc1[n]c(N)[n]c(N)c1-c1cc(Cl)c(Cl)cc1,2.82
n1c(N)nc(N)nc1c2cc(S(=O)(=O)C)ccc2,0.29
CCCCCCC[N+](C)(C)CCCS([O-])(=O)=O,-1.97
NC(=O)Nc1cccc(O)c1,0.36
CCCCCCCCCCCCCCCCCCCC,10.39
CN1C(C)=CC(=O)N1c2ncnc(OC)c2,0.3
CCC(OC(N)=O)(\C=C\Cl)C#C,1.71
[H:14][C@@:7]1([CH2:13][CH2:12][C:10](=[O:11])[N:8]1[CH3:9])[C:6]1=[CH:1][N:2]=[CH:3][CH:4]=[CH:5]1,0.07
OC1=C(Br)C(O)=C(Br)C(Br)=C1,4.37
Oc3cc(O)c2CC(OC(=O)Cc1ccccc1)C(Oc2c3)c4ccc(O)c(O)c4,3.09
CSCO\N=C\NC1=CC(Cl)=C(OCC#C)C(Cl)=C1,3.6
CCCCN(SN(C)C(=O)O\N=C(/C)SC)C(C)=O,2.4
CC1=NON=C1NC(=O)OC,0.42
CC1=CC=C(SCC(=O)NCC2=CC(CNC(=O)CSC3=CC=C(C)C=C3)=CC=C2)C=C1,5.08
CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1,2.34
CCOC(=O)C1=CN=C2N(N=C(C2=C1NC1=CC=C(O)C=C1)C1=CC=CC=C1)C1=CC=CC=C1,3.09
COc1cc(cc(Cc2c[n]c(N)[n]c2N)c1Cl)OC,2.13
O(c(nc(cn1)C)c1)C,1.29
OC(=O)Cc1cccc(Br)c1,2.37
OC(=O)CN1C=CC(=C1)C1=NC2=C(S1)C=CC=C2,2.22
CCNC(=O)C1C2CC(C=C2)C1C(=O)NCC,0.66
CC(=O)C(O)=O,-0.5
FC(F)(F)C1=CN=C(C=C1)N1CCCN(CC1)C(=O)C1=CC2=CC=CC=C2S1,4.92
CNC(=O)c1ccccc1,0.86
COC1=CC=C(C=C1)C(=O)N\N=C\C1=C(O)C=CC2=CC=CC=C12,4.06
CON(CC1=CC=C(C)C=C1)N=NC1=CC=C(C=C1)C(O)=O,4.43
O1CCN(C)CC1(OCC#C)c2ccccc2,1.87
O=C1NC(=O)[C@@H]2CC=CC[C@H]12,0.35
CCc1c(O)c(=O)ccn1CCCO,-0.44
n1ccccc1CS(=O)C2=Nc3ccccc3N2,1.33
NC1=NC(=O)N(C=C1)C1CC(N=[N]#N)C(CO)O1,-0.7
CCC1=C(O)C(=O)C=CN1CCCOCC,0.72
O=C(Cc1ccccc1)Nc1cc(ccc1)C(F)(F)F,3.84
S1C=CN=C1c2ccc(C(C)C(=O)O)cc2Cl,3.39
CCCN(CCC)C=NC1=NC(=O)N(C2CC(O)C(CO)O2)C=C1,0.4
COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C,1.79
CC(=O)CC(=O)Nc1ccc(cc1C)-c1cc(C)c(cc1)NC(=O)CC(C)=O,1.75
CC1(C=C(C(N1[O])(C)C)CN2CCCCC2)C,1.88
C\C(=C/C1=CC=CC=C1)C(O)=O,2.6
O=P(OC)(SC)NCCCCCC,1.11
COC1=CC=C2N[Pt](Cl)(Cl)NC2=C1OC,-0.47
CCOc1cc(C=O)ccc1O,1.5950000000000002
CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO,3.18
NC(=O)N(CC=C)CC=C,0.64
[Cl:1][C@H:2]1[CH:3]=[CH:4][C@@H:5]2[C@H:6]1[C@@:7]1([Cl:8])[C:9]([Cl:17])=[C:10]([Cl:11])[C@:12]2([Cl:13])[C:14]1([Cl:15])[Cl:16],6.1
[CH3:11][CH2:10][C@@H:8]([CH3:9])[C@@H:7]([NH:6][C:4](=[O:5])[C@@H:2]([CH3:3])[NH2:1])[C:12]([OH:14])=[O:13],-2.6
[I-].CCCC[N+](C)(C)C,-2.6
NNC1=C2NN=C(C3OC(CO)C(O)C3O)C2=NC=N1,-1.42
O=C1NC(=O)C2=CC(=NNC2=N1)C1=CC=CC=C1,1.56
NC3=NCC(CN1CCN(CC1)c2ccccc2F)O3,1.06
n1nc(N(C)C)ccc1,0.29
c1cc(OCCCCCCC)ccc1NC(=O)OCCN2CCCCC2,5.87
NC1=CC=C(C=C1)C1=NC2=C(S1)C=C(O)C=C2,0.66
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)F,-0.04
CCCCCCCCSCCO,3.64
[CH3:20][C:19]([CH3:21])([CH3:22])[C:17](=[O:18])[C:14](=[N:13]\[NH:12][C:11]1=[CH:1][CH:2]=[C:3]([Cl:4])[CH:5]=[C:6]1[C:7]([F:8])([F:9])[F:10])\[C:15]#[N:16],5.67
FCF,0.2
CCCC(=O)OCOC(=O)C1=CN(CC)C2=C(C=CC(C)=N2)C1=O,2.2
COC1=CC(Cl)=C(N=C2NCCN2)C(Cl)=C1,1.6
CNC(=O)OC1=CC=C2N(C)C3N(C)CCC3(C)C2=C1,1.58
c1ccccc1Nc2ccc(N=C=S)cc2,4.94
COC1=CC=CC(C=CN(=O)=O)=C1,2.37
c1ccccc1OCC(O)CNCCOc(c2)ccc(c2)OCC(=O)NCCC,2.4
O=C1OCc2ccccc21,0.8
[Br-].C[N+](C)(C)CC1=COC=C1,-2.4
Oc1ccc(cc1)C(F)(F)F,2.82
CCOC1=CC=CC(CNC2=NC=NC3=C2N=CN3)=C1,2.57
Cc1[n]cc([n]1CC(C)O)[N+]([O-])=O,0.22
c1cc(C(#N))ccc1NC(=O)NNC(=O)C,0.38
OC1=CC=C(N=O)C2=CC=CC=C12,2.27
COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1,2.05
CNc1cccc2ccccc21,2.88
CC(=C)CN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,5.015000000000001
c1cc(CN(CC)CC)ccc1C(=O)Nc2c(C)cccc2C,3.49
Clc1ccc(cc1Cl)N2CC(=NC2=O)N3CCOCC3,1.9
COC1=CC2=C3N(C(=O)\C(=C4/SC(NC(C)=O)=NC4=O)C3=C1)C(C)(C)C=C2C,4.62
N1C(=O)NC(=O)C(C)(C(C)C)C1=O,0.54
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(COC)C#N)O,2.64
Cc1cccc2cccc(C)c12,4.32
CCC\C(=N/OCC)C1C(=O)CC(C)(OC1=O)C(\C)=C\C,3.4
Oc1cc(Cl)c(Nc2ccccc2CC(O)=O)c(Cl)c1,3.7
CN(SN(C)C(=O)C1=CC=C(Cl)C=C1Cl)C(=O)OC1=CC=CC2=C1OC(C)(C)C2,4.9
OC1=CC=CC(=C1)C(=O)C1=CC=CC=C1,3.07
NC(=O)c1ccoc1,0.09
[F:14][C:13]([F:15])([F:16])[CH2:12][O:11][C:10]1=[CH:17][C:18]([C:19](=[O:20])[NH:21][CH2:22][C@@H:23]2[CH2:24][CH2:25][CH2:26][CH2:27][NH:28]2)=[C:7]([O:6][CH2:5][C:2]([F:1])([F:3])[F:4])[CH:8]=[CH:9]1,3.78
COC(=O)C(Cl)(Cl)Cl,2.03
c1cc(C(C)(C)C)ccc1CN(c2ccccc2)CCCCN(C)C,5.53
ClC(Cl)(Cl)C1=CC=CC=C1,2.92
CC(=O)NN=Cc1c(CO)ccc(C)c1O,1.71
CC(C)C(=O)C(=NNC1=C(C)C=C(Cl)C=C1)C#N,4.31
CN(N=O)Cc1ccc(OC)cc1,1.62
c1ccccc1NC(=O)NC2(C)CCCCC2,3.6
CCCC\C(C)=N\N\C(N)=N\C1=CC=CC=C1,2.05
c1cc(N(=O)(=O))ccc1C(O)C(CO)NC(=O)C(Br)Br,1.36
CC(C)(C)c1[n]oc(/C=N/O)[n]1,2.15
C1(C)(O)CC(C)C(=O)C(C)C(O)C(O)(C)C(CC)OC(=O)C(C)C(OC2OC(C)C(O)C(OC)(C)C2)C(C)C1OC3OC(C)C(O)C(N(C)C)C3O,1.44
CC(=O)c1ccc2ccc3cccc4ccc1c2c34,4.18
CS(=O)(=O)NC1=C(OC2=CC=CC=C2)C=C(C=C1)[N+]([O-])=O,2.6
c1c(Cl)c(C)c(Cl)cc1C2=NNC(=O)C=C2,3.2
C1=CC(=CC(=C1)[N+](=O)[O-])C(=N)N.Cl,0.72
OC(=O)c1cccc(Br)c1,2.87
n1c(N)nc(N)c(Cc2cc(OC)c(OC)c(C)c2)c1,1.62
[F:7][CH2:6][C:3]([F:4])([F:5])[CH2:1][Cl:2],1.3
CNC(=O)N(CCCCC(NC(=O)C)C(=O)NCc1ccccc1)Cc2ccccc2,1.99
Clc1cc(Cl)c(-c2cc(Cl)cc(Cl)c2)c(Cl)c1Cl,7.1
c1c(OCC)c(OCC)ccc1NC(=O)OC,2.1
O=C1CCC(C)N1,-0.1
Cc1ccc(C=C(C#N)C#N)o1,2.03
OCCCNC(=O)C(F)(F)Cn1cnc(n1)N(=O)=O,-0.63
CCCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)OC(=O)CCCC,2.72
C1CC2=C3C1=CC=CC3=CC1=C2C=CC2=C1C=CC=C2,6.418
CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O,1.9
CN1C(=O)NC(=O)C(=O)C1=O,-1.01
O[C@H]([C@H]1CCCCN1)c1cc([n]c2c(cccc21)C(F)(F)F)C(F)(F)F,4.49
CC(NC(=O)C(N)CC1=CC(I)=C(O)C(I)=C1)C(O)=O,-0.17
Clc1cc2c(oc3cc(Cl)c(Cl)cc32)c(Cl)c1,6.73
[Br-].C[N+](C)(C)CCOC(N)=O,-3.9
O=C1N(C)C(S)=NN=C1c2cc(Cl)c(OC(F)(F)F)cc2,3.61
CN(C(C)=O)C1=CC=C(C=C1)[N+]([O-])=O,0.91
[O-][N+](=O)c1ccc(CCO)cc1,1.12
CCN1C[C@H](OC1=O)[C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](CC3=CN(C=N3)C)NC(=O)[C@H](CC4=CC=CC=C4)CC(=O)N5CCOCC5)O,2.16
Nc1[n]c(N)[n]c(N)[n]1,-1.37
OCc1cnc(C)c(O)c1C=NNC(=O)c2ccc(C)cc2,2.54
COc1cc(C)c2CCC(NC(=O)c3ccc(cc3)N(=O)=O)C4=CC(=O)C(OC)=CC=C4c2c1OC,2.96
c1c[n]ccc1-c1cc[n]cc1,1.28
CO\N=C(/C(=O)N[C@@H]1[C@@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)C1=CC=CO1,-0.16
Cc1cc(c(cc1)[N+]([O-])=O)[N+]([O-])=O,2.08
CCCCCCCCCCCCCc1ccc(O)cc1,8.2
COC(=O)c1ccccc1S(N)(=O)=O,0.01
CN(Cc1c[n]c2[n]c(N)[n]c(N)c2[n]1)c1c(Cl)cc(cc1Cl)C(=O)N[C@@H](CCC(O)=O)C(O)=O,-0.1
O1C(CO)C(O)C(O)C(O)C1OCCCCCC,0.16
CN(C)C(=O)Oc1ccc(Br)cc1,2.46
COC1=CC=C(C=C1)S(C)(=O)=O,0.76
O=NN1CCCCCCCC1,2.04
OC1=C2NC(=O)SC2=C(CCNCCOCCCOCCC2=CC=CC=C2)C=C1,2.06
CCCCCCCCCCCCCCN1CCN[Pt]1(Cl)Cl,1.56
OC1=CC=C(C(=S)NC2=CC(Cl)=CC=C2)C(O)=C1,3.9
CNC(=O)Oc1cc(F)ccc1,1.48
CN(CCO)C(=O)COC(=O)C1=CC=CC=C1CC(C)=O,0.06
c1cc2cccc3c2c2c(cccc21)c1ccccc31,6.44
CCC(C)NC(=O)/C(=C/C1=CC=CC=C1)/Cl,2.75
c1ccccc1C(=O)NCC(=O)Oc2cc(C(#N))ccc2,2.11
CCCCCCCCCCCC[N+](C)(C)CCCS([O-])(=O)=O,1.65
NCC1=CC=CC2=C1C(=O)C1=C(C=CC=C1)C2=O,4.1
O=C2CC(C(C(C(CC=O)CC(C(=O)C=CC=CCC(O2)C)C)OC3C(C(C(C(O3)C)OC1CC(C(C(O1)C)OC(=O)CC(C)C)(O)C)N(C)C)O)OC)OC(=O)C,3.52
CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,-0.93
CCCCCCCSC2C(O)C(O)C(O)C(CO)O2,1.5
Cc1ccccc1NN=C(C#N)C#N,2.38
OC1C(C)(C)C2(O)C(O)CC3(C4)C(O)C(C4(C)O)CCC3C(C)C2C1,1.51
[CH3:9][C:8]([CH3:10])=[CH:7][CH2:6][CH2:5][C@:2]([CH3:11])([OH:1])[CH:3]=[CH2:4],2.97
C[C@H]1COC[C@@H](C)N1N=O,0.32
CN(C)C1=NC(=O)C=C(S1)c2ccc(o2)N(=O)=O,0.55
CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(C)ccc3n2)cc1,4.11
CCCSCc1cc(=O)c(O)co1,1.32
BrC1=CC=CC(=C1)C1=CN2C=CC=CC2=C1,5.31
CNC(=O)O\N=C1\COCCS1,0.0
NC1=NC2=C(NN=N2)C(O)=N1,-0.71
[Br-].C[N+](C)(C)CCOC(=O)CI,-2.63
C1CC2C3CCC4CC(=O)CCC4(C)C3CCC2(C)C1=O,3.6
CCCCCCSC1=C(C#N)C(C2=CC=CS2)C(C(=O)NC2=C(OC)C=CC=C2)=C(C)N1,6.28
COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O,2.78
COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1,3.2
CCC(C)C(N=C(O)C(N)C(C)O)C(O)=O,-0.86
CON=CNc1cc(Cl)c(OCC#C)c(Cl)c1,3.3
C1Cc2ccc3cccc4ccc(=C1)c2c34,4.92
CC(C)C(O)C(c1ccc(c2ccccc2)cc1)C(=O)O,3.84
CSC1=NC(=O)\C(S1)=C/C1=CC=C(O1)[N+]([O-])=O,1.41
c1ccccc1Cc2cc(c3ccccc3)nnc2NCCN4CCOCC4,3.65
CCC(C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC,-0.40047756
CCc1ccccc1C(N)=O,1.17
CCCCCCCC#CCO,3.5
c1nc(N)nc(N)c1Cc2c(Br)cc(OC)c(OC)c2,1.64
[CH3:1][N:2]([N:3]=[O:4])[C:5]([CH3:6])([CH3:7])[CH3:8],0.81
c1(Cl)c(Cl)c2NC(SCC(=O)O)=NS(=O)(=O)c2cc1,1.1
OC1=CC=C(NC2=CC=CC=C2)C2=C1C(=O)C1=C(C2=O)C(=CC=C1O)N(=O)=O,4.68
CP(=O)(OC)OC,-0.61
COC1=CC=C(C=C1)C(=O)N\N=C\C1=C(CO)C=CC(C)=C1O,3.34
O=C1N(N)C(SC)=NN=C1CC,0.46
NC(=O)N1C2=CC=CC=C2CC(=O)C2=C1C=CC=C2,1.5
Clc2ccc(Oc1cc(Cl)c(Cl)cc1Cl)c(Cl)c2,6.38
S1C(CC)(CC)C(=O)NC(=O)C1,1.52
[Cl-].CN1C=C[N+](CCOCCS(C)(=O)=O)=C1\C=N\O,-3.07
C\N=C(/O)OC1=CC=CC(C)=C1,1.7
CC(C)CC(N)C(=O)NC(C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(O)=O,-1.78
N1C(=O)C(CCCCCCC)(c2ccncc2)CCC1=O,3.44
CC(=O)\C=C\C1=CC=CC(Cl)=C1,2.81
CCON=C(CC)C1=C(O)CC(CC1=O)c3cccc(Oc2ncc(cc2F)C(F)(F)F)c3,4.63
OCC(NC(=O)C(F)(F)F)C(O)c1ccc(cc1)c2ccccn2,1.31
CN(C)C\C=C\C1=CC=CC=C1,2.61
C1CN(C)CCN1c2nnc(NN3C(C)=CC=C3C)cc2,1.94
CCCCCCCC(=O)N(C)C1=CC=C(C=C1)S(=O)(=O)N(C)C,3.09
S1C=CN=C1c2ccc(C(C)C(=O)O)cc2C,3.06
CCCCCCCc1[n][nH][n][n]1,2.01
CCCCCCC(C=O)=CC1=CC=CC=C1,4.9
CC(C)OC(=O)C1(CCCC1)S(=O)(=O)c2ccc(C)cc2,2.88
CCOC(=O)CN1N=NC(OC2=CC=C(NC(=O)N(C)C)C=C2)=N1,1.12
OCCCCN1C=NC2=C1N=C(NC1=CC=CC=C1)NC2=O,1.26
CO\N=C(\C)C1=CC=CC(OC2=NC(OC)=CC(OC)=N2)=C1C(=O)OC,2.7
O=C(c(cccc1Br)c1)C,2.47
[O-][N+](=O)c1ccc(Cl)cc1Cl,3.07
[O-][N+](=O)C1=C(Cl)N=C(Cl)C=C1,1.96
CSCCC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(C)=O)C(N)=O,-1.39
NC1=CC(OCC2=CC=CC=C2)=CC=C1,2.77
c1cc(Cl)ccc1n2ncc(OP(=O)(OCC)SCCC)c2,3.77
Oc1c(Br)cc(Br)c(O)c1Br,4.37
CN(C)CC/C=C1\c2ccccc2COc2ccccc2\1,4.29
Brc1c(cc(c(c1c2c(c(cc(c2Br)Br)Br)Br)Br)Br)Br,5.5
NC1=CC(=C(C=C1)C(O)=O)N(=O)=O,0.38
CC1=C(N(O[N-]1)[O])N,-0.32
COC(=O)C=C(C)OP(=O)(OC)OC,0.13
Nc1c[n][n]cc1,-0.53
CN(CC1=CC=CC=C1)/N=N/C2=C(NC=N2)C(=O)N,1.54
CCCCCC(=O)OC,2.42
COC1=CC=C(C)C=C1N1N=NN=C1SCC(=O)NC1=CC(=CC(=C1)C(N)=O)C(N)=O,4.15
CC(C)COC(=O)N(CC)CC,2.82
c1ccc2CC(C)(C)Oc2c1OC(=O)N(C)SN(C)C(=O)CC,3.2
COCCOCCOC(=O)C(CC1=CC=C(OC(=O)N(C)C)C=C1)NC(=O)C1N(CSC1(C)C)S(=O)(=O)C1=CN(C)N=C1,1.41
CN(CC#C)N=NC1=NC=NC1C(N)=O,0.33
CCC\C(=N/OCC)C1=C(O)CC2(CCC(CC)CC2)OC1=O,4.47
c1ccccc1C(=O)NCC(=O)Oc2cc(Cl)ccc2,3.21
[Cl:4][C:3]1=[C:2]([Cl:1])[C@:15]2([Cl:16])[C@@H:14]3[C@@H:10]4[CH2:9][C@@H:8]([C@@H:13]5[O:12][C@H:11]45)[C@@H:7]3[C@@:5]1([Cl:6])[C:17]2([Cl:18])[Cl:19],5.2
CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(OCCSC(=O)C(C)(C)C)OC3=CC=C(CC(N)C(O)=O)C=C3)O2)C(=O)NC1=O,0.25
C/C=C(/COC(=O)C)\C(=O)O[C@@H]1C[C@]2(C=C[C@@](O2)(/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)O)C,1.19
CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC,-0.8
CCC(C)C(N)C(=O)N1CCCC1C([O-])=O,-1.79
CS(=O)(=O)C1=CC=C(C=C1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl,-0.27
OCCOCN1c2nc(N)ncc2N=C1,-1.08
CCCCOC(NC(=O)c1ccccc1O)C(Cl)(Cl)Cl,4.45
O=C1NC(NC2=CC=CC=C2)=NC2=C1N=CN2,1.35
c1ccc2c(NOC(=O)C)ccnc2c1,0.97
CCC(C)CC(=O)NC(N)=O,0.91
C1=CC2=NNN=C2C=C1[N+](=O)[O-],1.95
COC(=O)Cc1ccc[s]1,1.51
O[C@@H](C[C@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1NC(=O)OCC1=NC=CC=C1)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC(O)=C1,-0.16251893
c1cc(C(=O)N)ccc1C(O)C(CO)NC(=O)C(Cl)Cl,-0.48
CC(=O)Nc1ccc2C(CCCC)OC(=O)c2c1,2.77
[OH:5][C@@H:4]1[CH2:6][CH2:7][CH2:8][C:9]2=[CH:10][CH:11]=[CH:1][CH:2]=[C:3]12,1.98
C1C2(N)c3ccccc3CC2CC1,2.58
CCOc1c(cc(CCN)cc1OC)OC,1.11
n1c(N)nc2ncc(CNc3ccccc3C)c(C)c2c1N,1.98
OC1=C2NC(=O)SC2=C(CCNCCCSCCOCC2=CC=CC=N2)C=C1,0.83
OCCCCCC[n]1[n]c2ccccc2[n]1,2.26
CCOC(=O)C(C)(Cc1cccc2ccccc12)S(=O)(=O)c3ccc(cc3)N(=O)=O,4.4
c1ccccc1COCC(O)CNCCNC(=O)C(C)C,0.63
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)C[C@H]1O,-0.61
OCCn1c(C=Cc2ccccc2)ncc1N(=O)=O,2.25
O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1,2.3233333333333337
Cc1ccc2OCC(NC(=O)CN(CCCC)CCCC)c2c1,4.43
c1cc(N(C)C)ccc1C=NNC(N)=N,0.28
FC(F)(F)C1=C(CNC2=C3N=CN=C3N=CN2)C=CC=C1,3.04
c1cc(C)ccc1S(=O)(=O)NC(=O)NN2CCCC2,0.65
[O-][N+](=O)c1ccccc1,1.87
CC(C)(C)C1=NN(CC2=CC=CC=C2)C(=C1)C1=NC(=NO1)C1=CC=C(C=N1)C(F)(F)F,6.58
N#Cc1cccc(F)c1,1.47
CC(=O)NC(C(O)C)C(=O)NC(C(C)CC)C(=O)N,-0.86
Cc1cnc(cn1)C(=O)OCCCn2ccc(=O)c(O)c2C,-0.49
CCC[C@@H](C)NC(=O)COC1=C2C(SC3=C2CC[C@@H](C)C3)=NC=N1,4.55
CC(=O)Nc1cc(C)c(CCCC)cc1,3.64
c1ccc2n(CCO)nnc2c1,0.5
CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-],1.71
C1=CC(=O)C=C2CCC3C4CC(C)C(O)(C(=O)COC(=O)CCCC)C4(C)CC(O)C3(F)C12C,3.87
c1ccc2C(=O)C=C(NC)C(=O)c2c1,1.74
CCO[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](C[C@@H]3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)(OO4)C)C)C,1.05
CCCc1nc(N)nc(n1)N2CCOCC2,0.7
c1ccccc1CC2C(=O)NC(=O)N2,0.6
[CH3:18][C:17]([CH3:19])([CH3:20])[C@@H:15]([OH:16])[C@H:14]([O:13][C:12]1=[CH:1][CH:2]=[C:3]([CH:10]=[CH:11]1)[C:4]1=[CH:9][CH:8]=[CH:7][CH:6]=[CH:5]1)[N:21]1[CH:25]=[N:24][CH:23]=[N:22]1,4.16
CCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO,3.79
CCCCCOCCCCC,4.04
C\C(=N/NC(=O)C1=CC=C(N)C=C1)C1=NC=CN=C1,1.3
COc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C,0.4
COC1CC(OC2CCC3(C)C(CCC4C3CCC5(C)C(C(CC45OC(=O)C)OC(=O)C)C6=CC(=O)OC6)C2)OC(C)C1O,2.95
CC(=NNC(N)=N)C1=CC=CS1,1.05
O=C(NCCCC(N)C(=O)O)N,-3.19
[Na+:1].[O-:2][C:3]1=[CH:8][CH:7]=[C:6]([CH:5]=[CH:4]1)[N:9](=[O:10])=[O:11],-1.31
C1=CCCCC1C(C)(C(=O)OC)C(=O)NC(=O)NC,1.75
c1c(Cl)cc2C(c3ccccc3F)=NCC(=O)N(CC(O)CO)c2c1,1.51
O=C1N=C(Nc2ccccc21)c1ccccc1,2.53
CCOC(=O)C(C)Oc1ccc(cc1)n2sc3ccccc3c2=O,3.89
Clc1ccc(C[n]2c[n]c[n]2)cc1Cl,2.54
Clc1cc(-c2ccccc2)c(Cl)c(Cl)c1Cl,6.41
N1C(C)C(C)(C)OC1=Nc2ncc(N(=O)(=O))s2,1.88
[Br-].C[N+](C)(C)CC1=CC(Br)=CC=C1,-1.81
CN(C)C(O)=Nc1cc(Cl)c(cc1)N1N=C(OC1=O)C(C)(C)C,2.51
CC1=CN([C@H]2CC[C@@H](CO)O2)C(=O)NC1=O,-0.6
OC(=O)C1=C(CNC(=O)C2=CC=CC=C2)C2=C(Cl)C=C(Cl)C=C2N1,2.36
CSc2cnc(C1=NC(C)(C(C)C)C(=O)N1)c(c2)C(O)=O,0.75
OCC(O)Cn1c(C)ncc1N(=O)(=O),-0.59
Cc1cccc2[s]ccc21,3.57
OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2,5.2
CN1CCN(CC1)c1cc2c(cc1F)C(=O)C(=CN2c1ccc(F)cc1)C(O)=O,0.89
CO[C@@]1(NC(=O)[C@@H](C(O)=O)C2=CC=C(O)C=C2)[C@@H]2OCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O,-0.58
C2COCCN2C1=C(N3CC3)C(=O)C(N4CCOCC4)=C(N5CC5)C1(=O),0.52
C1COCCOc2ccccc2OCCOCCOCCOc2ccccc2OCCO1,2.11
OC1=C2OC3C(=O)CCC4(O)C5CC(C=C1)=C2C34CCN5CC=C,2.09
CC(=O)Oc1c(CC)cccc1CC,3.4
NC(CO)C(=O)NC(CC1=CC=CC=C1)C(O)=O,-0.79
CCOCCOCC,0.66
CC1CC(C)CC(O)C1,2.37
CCCNC(=O)C1=COC=C1,1.2
CC(CO)OC(C)CO,-0.67
C1=CC=C2C(=C1)C(=O)NN=N2,0.83
COCC(F)Cn1cnc(n1)N(=O)=O,-0.04
[OH:4][CH2:3][C@@H:2]1[CH2:1][CH2:7][CH2:6][O:5]1,0.28
CC[N+](C)(C)[N-]C(=O)C(O)(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1,1.75
CCCc1nc(nc(n1)N(C)C(=O)c2ccccc2)N3CCOCC3,2.01
Clc1cc(Cl)c(Cl)cc1,4.0842
Cc1cc(Cc2cc(Cl)c(Cl)cc2)c(Cl)cc1Cl,7.26
[CH3:14][C:13]([CH3:15])([CH3:16])[C@@H:11]([OH:12])[CH:10]([CH2:9][C:8]1=[C:2]([Cl:1])[CH:3]=[C:4]([Cl:5])[CH:6]=[CH:7]1)[N:17]1[CH:21]=[N:20][CH:19]=[N:18]1,3.8
Cc1[n]o[n]c1-c1ccccc1,2.59
CC(C)CC([NH3+])C(=O)N1CCCC1C([O-])=O,-1.76
Clc1cccc(c1)N2CCN(CC2)CCn3nnc4ccccc34,3.45
c1ccccc1OCC(=O)N2CCOCC2,0.74
CSCCC(NC(=O)C(C)NC(C)=O)C(=O)NC(C(C)C)C(N)=O,-0.63
S1C(S(=O)(=O)N)=CC=C1S(=O)(=O)CCCCO,-0.34
COC1=CC=C(CCNCC(O)COC2=CC=C(CC3=NC=C(N3)C(C)=O)C=C2)C=C1OC,2.3
O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC(=O)C1(CC1=CC=CC=C1)CC1=CC=CC=C1,0.13
CC(C)C(N=C(O)C(N)CC(O)=N)C(O)=O,-1.85
Nc1[n]c([n]c(N)[n]1)-c1cc(ccc1)C(F)(F)F,2.67
CCOC(=O)C1=CN=C2CCCCN2C1=O,0.15
CC1=CN(C(=O)NC1=O)[C@H]2[C@H](C[C@H](O2)CO)F,-0.44
n1c(c2ccc(C#N)cc2)c(c3ccc(C#N)cc3)nc(C)c1,2.52
O1C2CC(C)(O3)C3C4OC(=O)C(=C)C4C(OC(=O)C(C)=C)CC(=C2)C1=O,0.69
CCCCNC1=CC(=CC=N1)C1=NC(N)=NN1,2.15
ClC1=CC=C(CN2CCNC2=NN(=O)=O)C=N1,0.57
CS(=O)CCCOc1ccc(cc1)[N+]([O-])=O,0.93
[Cl:17][C:4]1=[CH:5][C:6]2=[C:7]([O:8][C:9]3=[C:10]2[C:11]([Cl:16])=[C:12]([Cl:15])[CH:13]=[CH:14]3)[C:2]([Cl:1])=[C:3]1[Cl:18],6.26
O=C1C[C@@H]2OCC=C3CN4CC[C@]56[C@H]([C@H]2[C@H]3C[C@@H]54)N1c1ccccc61,1.93
O=C(NN1CCCCCC1)NS(=O)(=O)c1ccc(Cl)cc1,1.64
CC(=O)NC1=CC=C2NC(C)=CC2=C1,1.21
COC1=CC=C(CN(C)\N=N\C2=CC=C(C=C2)C(O)=O)C=C1,4.43
c1ccccc1C(=O)NCC(=O)Oc2cc(OC)cc(OC)c2,2.69
NC(=O)c1cccc(O)c1,0.39
c1cc(N)ccc1S(=O)(=O)c2c(C)cc(C)cc2C,3.06
S1C=C(C(=O)N)N=C1c2ccc(C(C)C(=O)O)cc2,2.17
Oc(ccc(SC)c1)c1,1.78
COC(=O)CCCCCC(=O)OC,1.38
CC1=CC(=CC=C1)N1CC(CO)OC1=O,1.26
COC(=O)C(C)NC(=O)COC(=O)CC1=CC=CC=CC1NC1=C(Cl)CC=CC=C1Cl,3.25
CCCCCC1=CC2=C([C@@H]3CC(=C)CC[C@H]3C(C)(C)O2)C(OCC2=CC=C(C=C2)C2=CC=CC=C2)=C1,11.29
O=C(Nc1ccccc1)Nc1cc(Cl)[n]cc1,3.2
N#C/N=[N+](\[O-])/c1cccc(Cl)c1,2.4
C1=CN=CN1C(=S)OC(C(C)(C)C)COc2ccc(CC)cc2,5.09
c1ccccc1C(=O)NCC(=O)Oc2cc(C)ccc2,2.72
CN(C)C(=O)c1ccco1,0.41
[Br-].CCCCCCCCCCCC[N+]1=CC=CC=C1,0.44
CC(C)C(=O)C(C)C,1.86
CC(C)OC1=C(C=C(C=C1OC)CCN)OC.Cl,1.52
COc1ccc(COC(=O)N(C)C)cc1,2.2
CCCN(CC1CC1)C(=S)NC1=CC(=CC=C1Cl)[N+]([O-])=O,4.1
c1[n]c2ccccc2c2ccccc21,3.48
[CH3:5][C:4]1=[CH:6][CH:7]=[N:1][CH:2]=[N:3]1,0.16
CC(Oc1ccc(cc1)Oc1c[n]c2cc(Cl)ccc2[n]1)C(=O)OCC1CCCO1,4.32
COC(=O)C(C)NP(=O)(OCC1OC(C=C1)N1C=C(C)C(=O)NC1=O)OC1=CC=CC(I)=C1,1.78
O=C(OC1=CC=C2C=C(C3=NC4=CC=CC=C4S3)C(=O)OC2=C1)C1=CC=CC=C1,5.7
[I-].CCCCCCCCCC[n+]1ccc(C)cc1C,0.54
[CH3:28][O:27][C@@H:26]1[C@@H:24]([OH:25])[CH2:23][C:21](=[O:22])[O:20][C@@H:18]([CH3:19])[CH2:17]\[CH:16]=[CH:15]/[CH:14]=[CH:13]/[C@@H:12]([O:11][C@H:8]2[CH2:9][CH2:10][C@@H:4]([C@H:5]([CH3:6])[O:7]2)[N:2]([CH3:1])[CH3:3])[C@H:35]([CH3:36])[CH2:34][C@@H:30]([CH2:31][CH:32]=[O:33])[C@@H:29]1[O:37][C@H:38]1[O:48][C@@H:46]([CH3:47])[C@H:45]([O:49][C@@H:50]2[CH2:51][C@@:52]([CH3:54])([OH:53])[C@H:55]([OH:56])[C@H:57]([CH3:58])[O:59]2)[C@H:41]([C@@H:39]1[OH:40])[N:42]([CH3:43])[CH3:44],2.49
O=N(=O)\C=C1/NCCN1CC1=CC=NC=C1,-1.05
COC(=O)NC1=NCC(c2cc(Cl)ccc2)N1C,2.1
CC(C)COP(=O)(OCC(C)C)[C@H](O)C1=CC=C(C)C=C1,4.44
COC1=CC=CC2=C1OP(=O)(OCC1OC(C=C1)N1C=C(C)C(=O)NC1=O)OC2,0.15
Clc2ccc1oc(cc(=O)c1c2)c3ccccc3Cl,4.09
FC(F)C(F)(F)OCC(C[n]1c[n]c[n]1)c1ccc(Cl)cc1Cl,3.58
OC(=O)c1ccc(CO)cc1,0.93
C1CCNc2ccccc21,2.29
c1cc(OC)ccc1NC(=O)NC(=N)N,0.56
[I-].CCCCCCCC[n+]1ccc(C)cc1C,-0.57
N[Pt](O)(O)(Cl)(Cl)NC1CC1,-2.0
n1c(N(C)C)cncc1C(=O)OCC,1.24
c1cccc(OC)c1OCC(O)CNC(C)C,1.69
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)N(C)C)O)(C)O)C)C)O)(C)O,1.44
c1cc(N(=O)(=O))ccc1C(O)C(CO)NC(=O)C(I),1.03
CCOC(=O)Cc1ccc(cc1)n2sc3ccccc3c2=O,3.33
C/C(=N\OC(=O)N(C)SN(C)C(=O)OC)/SC,1.4
n1c(N(C)C)cncc1,0.93
ClC1=CC=C(C=N1)N1CCN\C1=C/N(=O)=O,-0.23
C1=CC2=NN(C3CCCC3)N=C2C=C1NS(=O)(=O)c4ccc(N)cc4,2.48
COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1,3.6
n1c(c2ccccc2)c(CC)nc(CC)c1c3ccccc3,4.83
COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,5.45
n1cnccc1n2nc(OC)cc2C,2.21
CC1(CN=C(NC1)NN=C(/C=C/C2=CC=C(C=C2)C(F)(F)F)/C=C/C3=CC=C(C=C3)C(F)(F)F)C,2.31
CCNc1cc(cc[n]1)-c1[nH][n]c(N)[n]1,1.13
CC=CC=C,2.42
CC(=O)S[C@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,2.26
CN1CCC[C@@H]1C1=CC=CN=C1,1.245
CCCCCNC(=O)N1C(O)CN(C)C1=O,1.75
NC(=O)c2cccc(Cn1ccnc1)c2,-0.01
NC1=CC=C(C=C1)C(=O)N\N=C\C1=C(O)C=CC=C1,2.16
[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,3.86
COc1ccc(cc1)C(c1ccc(cc1)OC)C(Cl)(Cl)Cl,5.08
OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1,4.0
CN1C(=O)S\C(=C/C=C/C2=CC=C(O2)[N+]([O-])=O)C1=O,1.4
COC(=O)COc1ccccc1,1.41
CC(=O)NC(CCCNC(=O)N(CCCl)N=O)C(=O)NCc1ccccc1,1.33
CC(C)C(N)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(C(C)C)C(=O)NC(Cc2ccccc2)C(O)=O,-0.5
[O-][N+](=O)C1=CC(=C2NN=CC2=C1)N(=O)=O,1.6
O=NN(CCCl)C(=O)NC1CCCC1,2.2
c1ncc2n(C)c(c3c(OC)cc(OC)cc3)nc2c1,2.68
CN(C)\N=N\C1=C(N=CN1)C(N)=O,-0.24
C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C,1.08
CCC(C)C(NC(=O)C(NC(=O)C(CC(C)C)NC(C)=O)C(C)CC)C(N)=O,-1.11
C1C=CCN1C=CC(=O)c2cc(OC)c(OC)c(OC)c2,1.77
CCCN(CCCC(NC(=O)C)C(=O)NCc1ccccc1)C(=O)N(C)N=O,1.61
CCC(N)=O,-0.66
CCOc1cccc(Cl)[n]1,2.55
CC(C)CCCCCNC1=NC=NC2=C1N=CN2,4.16
COC1=CC=CN=C1CCCCN\C(NC#N)=N\C,1.5
c1ccccc1OCC(=O)NC2C(=O)N3C(C(=O)O)=C(COC(=O)C)CSC23,0.26
CCOC(=O)C1=C(C)NC(=C(C1C)C(=O)OC)C,3.27
C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1,2.1
O=C1CCC(=NN1)c1ccc(cc1)-[n]1cc[n]c1,0.96
[OH:5][C:4]1=[CH:6][CH:7]=[C:8]([Br:9])[CH:10]=[C:3]1[CH:2]=[O:1],2.5
[OH:12][CH2:11][CH2:10][N:7]([N:8]=[O:9])[C:5](=[O:6])[NH:4][CH2:3][CH2:1][Cl:2],0.3
CCCCC(O)=O,1.39
CC=CC(O)=O,0.72
COC(=O)C(C)NP(=O)(OCC1OC(C=C1)N1C=C(C)C(=O)NC1=O)OC1=CC=C(C=C1)C(C)=O,0.9
O=C1O[Pt]2(NC3CCCCC3N2)OC(=O)C11CCC1,-0.85
c1c(Br)cccc1NC(=O)NNC(=O)C,1.48
NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1,0.8674999999999999
C1C(C(=O)O)C2=CC=C(C(=O)Cc3ccccc3)N2C1,2.52
NC(=O)N(CCCl)N=O,0.57
[Na+].CCN(CC)c1cc(ccc1)S([O-])(=O)=O,-1.6
CCNC(N)=S,-0.21
Cc1ccc(cc1Cl)NC(C)=O,2.69
CCCC(CC)OCN1C=C[N+](=C1/C=N/O)C.[Cl-],-0.86
CC(O)CNC(=O)C(F)(F)Cn1cnc(n1)N(=O)=O,-0.47
c1ccc2cnoc2c1,1.575
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F,3.86
CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,0.17
C1=CN=CN1C(=O)OC(C(C)(C)C)COc2ccc(OC(C)C)cc2,4.08
CC1C(=O)NC(=O)N1,-0.91
CC1=CC=C2C(C)=NC(NC3=NC4=C(CCCC4)C(=O)N3)=NC2=C1,3.92
[Cl:16][C:5]1=[CH:4][C:3]([Cl:17])=[C:2]([Cl:1])[C:7]2=[C:6]1[O:10][C:9]1=[C:8]2[C:14]([Cl:15])=[CH:13][CH:12]=[CH:11]1,6.31
CC1=CC=CC=C1C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)C[C@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1NC(=O)OCC1=NC=CC=C1,-1.3093333
[CH3:1][NH:2][C:3]1=[C:8]2[C:9](=[O:10])[C:11]3=[CH:16][CH:15]=[CH:14][CH:13]=[C:12]3[C:17](=[O:18])[C:7]2=[C:6]([NH:19][CH3:20])[CH:5]=[CH:4]1,2.7
c1cc(N(=O)(=O))oc1C=CC(=O)N(C)C,0.82
[O-][N+](=O)c1[n]cc[n]1CC(=O)NCCO,-1.34
CN(C)C(=O)Nc1cc(ccc1)C(F)(F)F,2.42
O[C@H]1COC(O)C(O)[C@H]1O,-2.32
C(F)(F)(F)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1,4.47
Nc1c[n]cc(Cl)[n]1,0.95
ClC1=CC=CC(=C1)C1=C(Cl)C(Cl)=C(Cl)C=C1Cl,6.5063
[Cl-].CN(CCC[N+]1=C(\C=N\O)N(C)C=C1)S(C)(=O)=O,-2.63
c1c(OC)c(OC)c(OC)cc1S(=O)(=O)CCN(CCCC)CCCC,3.55
COCC1=C(O)C(C)=NC=C1CO,-0.299
[O-][N+](=O)\C=C\C1=CC=CC=C1Cl,2.645
c1ccccc1COC(=O)C(OCC)C(C)C,3.29
CCCC(=NOCC)C2=C(O)CC1(CCC(C)CC1)OC2=O,4.07
Oc1cc(Cl)c(Cl)cc1,3.3600000000000003
O=C1N(N)C(SC)=NN=C1C2OCCCC2,0.38
O=CNc1[n]cc[s]1,0.54
O=C1C=C(Oc2ccccc21)c1ccccc1,3.56
CSCCNC(=O)C(F)(F)Cn1cnc(n1)N(=O)=O,0.41
CCCN(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(CC=C)N=O,2.11
Oc3cc(O)c2CC(OC(=O)c1ccc(O)c(O)c1)C(Oc2c3)c4ccc(O)c(O)c4,2.45
CCC1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O,1.74
[CH3:4][C@H:3]1[CH2:5][CH2:6][C@H:7]([CH2:1][CH2:2]1)[NH:8][C:9](=[O:10])[N:11]([CH2:14][CH2:15][Cl:16])[N:12]=[O:13],3.3
OC1=C2NC(=O)SC2=C(CCNCCS(=O)(=O)CCCOCCC2=NC=CS2)C=C1,2.35
NN=C(c1ccccc1)c1ccccc1,2.79
CCC1=CC(=CC=C1CN1CC(C1)C(O)=O)C(\C)=N\OCC1=CC=C(C2CCCCC2)C(=C1)C(F)(F)F,6.77
C1=CC(=O)C(O)=CN1CCCC,0.72
c1cc(S(=O)(=O)N)ccc1CCCCCO,1.04
CCN(CC)C(=O)c1cccc2C(=O)N(CC)C(=O)C(=O)c12,0.78
Cc1cc(NC(C)=O)c(C)cc1O,0.845
CCCSc1cccc2nc(N)nc(N)c12,2.85
CC(=O)Nc1ccccc1C(O)=O,1.88
CC1=CN=C(NC(=O)C2=CC=CC(CN3[C@H](CCC4=CC=CC=C4)[C@@H](O)[C@@H](CC4=CC=CC=C4)N(CC4=CC(=CC=C4)C(=O)NC4=NC=C(C)C=C4)C3=O)=C2)C=C1,-2.5257287
CCC#CC(O)CC,1.7
C\C(=C\C1=CC=CC=C1)[N+]([O-])=O,2.52
N(=O)(=O)C=Cc1ccc(C)cc1,2.66
COC1=C(OC)C=C(C=C1)C(=C\C(=O)N1CCOCC1)\C1=CC=C(Cl)C=C1,2.68
CC1=C(CSCCNC2=CC(=O)C=CN2)NC=N1,0.8
CNC(=O)Oc1cc(ccc1)N(C)C,1.43
Cc1cc(cc[n]1)C(=O)NN,-0.37
O=C1C(c2cc(Cl)ccc2)C(=O)c2ccccc12,3.61
N1C(=O)N(OCCCl)C(=O)C(Br)=C1C,0.3
CC[C@H](C)NC(=O)NC(C(F)(F)F)C(F)(F)F,2.84
CCOC(=O)c1ccc[n]c1,1.32
c1(OC)cc2NC(CCC(=O)O)=NS(=O)(=O)c2cc1,0.18
CC1=NN(C(C)=C1)C1=CC=C(C=C1)N1C=CC=C1\C=C(/C#N)S(C)(=O)=O,4.25
CC(NC(=O)N(C)C(C)=O)C(N)=O,-2.0
s1c(C(=O)C)c(Cl)c(C(#N))c1S(=O)CC,2.64
C[N+](C)(C)CC1=CC(O)=CC=C1,-2.4
CNC(=O)OCCCCC,1.96
O=C1OC(C)(C)CC(=O)C1C(CCC)=NOCC,2.56
NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1,2.02
CC(=O)CCCCC(=O)OC,0.55
O=C(c1ccccc1)c2ccnnc2,1.09
COP(=S)(Oc1ccc(cc1Cl)[N+]([O-])=O)OC,3.6
CSCCC(=O)N(C)C1=CC=C(C=C1)S(=O)(=O)N(C)C,0.99
FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2,4.03
CC(C)NC(=O)C1=C(C=C(C(=C1)N1CC1)N(=O)=O)N(=O)=O,0.74
FC(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)C(F)(F)C=C,6.44
S1C(S(=O)(=O)N)=CC=C1S(=O)(=O)CCO,-0.54
CC(=O)C=Cc1ccc(cc1)C#N,1.64
CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O,3.08
O=C1CC2OCC=C3CN4CCC56C4CC3C2C5N1C1=CC=C(C=C61)N(=O)=O,1.61
COC1=C(N=C2NCCN2)C(Cl)=NC(C)=N1,0.9
OCC(CC)(CO)CO,-1.48
CN[C@@H]1C[C@@H]2CC[C@H]1C3=CC=CC=C23,2.68
Clc1ccc(Cl)cc1-c1ccc(Cl)cc1,5.74
CCOP(=O)(NC)O/N=C(/C#N)\C1=CC=C(C=C1)Cl,2.5
CC1=CC=C(NCC2=CC=C3N2CC\C3=C2\CN3C(CNC4=CC=C(C)C=C4)=CC=C3C2=O)C=C1,6.51
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)OC,3.11
s1ccc(S(=O)C)c1,0.91
[CH3:15][O:14][C:13]1=[CH:16][CH:17]=[C:10]([CH:11]=[CH:12]1)[C:9]1=[N:18][O:19][C@H:7]([O:8]1)[C:6]1=[CH:20][C:21](=[O:22])[O:23][C:24]2=[CH:1][CH:2]=[CH:3][CH:4]=[C:5]12,3.04
OCC(O)CN(C)C(=O)c1c(I)c(C(=O)N(C)CC(O)CO)c(I)c(NC(=O)C)c1I,-2.71
n1cnc(N)cc1C,0.19
[Cl:10][C@@H:9]1[CH:11]([Cl:12])[C@H:13]2[C@@H:7]([C@H:8]1[Cl:14])[C@:6]1([Cl:15])[C:5]([Cl:19])=[C:3]([Cl:4])[C@@:1]2([Cl:2])[C:16]1([Cl:17])[Cl:18],6.35
CCC(=O)C(=C/C1=CC=C(Cl)C=C1)\C(C)=O,3.04
C=CCN1CCCN(CC=C)C1=S,2.08
CCc1ccccc1,3.235
C[C@H]1CCCN(C1)C(=O)COC(=O)COC1=CC(Cl)=C(Cl)C=C1Cl,4.97
COC(=O)/C(=N\NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)/C#N,5.09
CCCN(CCC)CCC,2.79
CC1=Nc2ccc(I)cc2S(=O)(=O)N1,1.61
C/C(=N/O)/C1=CSC=C1,1.81
C\C=N\N(C(=O)C1=CC=C(C=C1)N(=O)=O)C1=CC=CC=C1,3.08
C[C@H](C1=CNC=N1)C1=C(C)C(C)=CC=C1,2.8
N[Pt]123(NC4CCCCC4)OC(=O)CC(=O)O1.O=C(CC(=O)O2)O3,-1.0
c1ccc2cccnc2c1OCc3ccccc3,3.51
CN1CCN[Pt]1(O)(O)(Cl)Cl,-2.81
c1c(Cl)cccc1C(=O)OCCOc2c(OC)cc(C=NO)cc2,3.94
O=N(=O)C1=CC=CC(CNC2=NC=NC3=C2N=CN3)=C1,2.03
COC1=CC=C(C=C1)/C=N\N(C2=CC=CC=C2)[P+](N3CC3)(N4CC4)[O-],0.57
C1(=O)C=C2CCC3C4CCC(O)(C(=O)COC5C(O)C(O)C(O)C(CO)O5)C4(C)CC(O)C3C2(C)C=C1,0.19
[H]OC([H])([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H],1.92
CN(\N=N\C1=CC=C(C=C1)C#N)C(=O)OCOC(C)=O,2.08
CC(=O)C=Cc1ccc(cc1)OC,2.25
OCC=CCO,-0.81
CC1=CC(C)=C(N=C2NCCN2)C(C)=C1,2.32
c1ccccc1c(c2)ccc(c2)COc3c4C5CC(C)=CCC5C(C)(C)Oc4cc(CCCCC)c3,10.89
CN(CCCNC(=O)C1=CC=CC2=C1N=CC=C2)CCCNC1=[N+]([O-])C2=C(C=CC=C2)[N+]([O-])=N1,0.15
CC(=O)Nc1ccc(Br)c(CC)c1,3.33
OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O,1.99
CO[C@@]1(NC(=O)CSCC#N)[C@@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O,-0.6
CC1(C(=O)N(C(=O)N1CO)CO)C,-2.9
O(C1COCC)C1,0.36
CC1=CC=C(C)C(CC2=CNC=N2)=C1,2.72
BrC(Br)(Br)Br,3.42
CC1(C)[C@H](C=C(Br)Br)[C@@H]1C(=O)O[C@@H](C#N)C1=CC(OC2=CC=CC=C2)=CC=C1,6.2
NC1=C(C(=O)NC2=CC(Cl)=CC=C12)C1=CC=CC=C1,2.95
CCN(CC)\C=N\C1=NC(=O)N(C=C1)C1CC(F)C(CO)O1,0.23
CCNc1[n]c(Cl)[n]c(NC(C)(C)C#N)[n]1,2.22
C1=CC(=O)C=C2CCC3C4CC(C)C(O)(C(=O)COC(=O)CCC)C4(C)CC(O)C3(F)C12C,3.55
CCC1COC(C[n]2c[n]c[n]2)(O1)c1ccc(Cl)cc1Cl,3.065
FC1=CC=CC=C1Cl,2.76
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC#C)C2=O,2.28
[CH3:25][CH2:24][CH2:23][NH:22][CH2:21][C@@H:19]([OH:20])[CH2:18][O:17][C:16]1=[C:11]([CH:12]=[CH:13][CH:14]=[CH:15]1)[C:9](=[O:10])[CH2:8][CH2:7][C:6]1=[CH:1][CH:2]=[CH:3][CH:4]=[CH:5]1,4.63
C[C@H](O)C[NH3+],-0.96
NS(=O)(=O)NCCc1ccccc1,0.81
NS(O)(=O)=O,0.101
CCCC(=O)O[Pt]1(N)(N)(OC(=O)CCC)OCC(=O)O1,-1.076
FC(F)(Cl)Cl,2.16
CC(C)(C)[C@H](O)[C@H](OC1=CC=C(Cl)C=C1)N1C=NC=N1,3.28
[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O,-1.3
C1=CN=CN1C(=O)OC(C(C)(C)C)COc2ccc(N(=O)=O)cc2,3.35
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O,3.69
c1cc(SC(F)(F)F)ccc1NN=C(C(#N))C(=O)OC,4.3
CCc1ccccc1C(=O)N(C(C)(C)C)NC(=O)c2ccccc2,2.96
CNC(=O)NCCN1N=C(C=CC1=O)c1ccccc1,0.39
CN1C=C(C(=O)NCCO)C(NC2=CC=C(I)C=C2F)=CC1=O,1.49
CC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2C2=CC=C(N)C(=O)C=C21,0.3
CCN1C=C(C(=O)OCOC(=O)C(C)C)C(=O)C2=C1N=C(C)C=C2,2.17
c1ccc(OC)cc1NS(=O)(=O)C(F)(F)F,3.13
NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O,-1.3066666666666666
[CH3:5][CH:4]([CH3:6])[O:3][C:2]([CH3:7])=[O:1],1.22
[Cl:17][C:4]1=[C:3]([Cl:18])[C:2]([Cl:1])=[C:7]2[O:8][C:9]3=[CH:14][CH:13]=[CH:12][C:11]([Cl:15])=[C:10]3[O:16][C:6]2=[CH:5]1,6.39
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCC2(CC1)OCCO2,3.24
CCN1C(=O)C(=O)c2c(cccc2C1=O)N(=O)=O,0.82
CCCOC(N)=O,0.36
Cl.FC(F)(F)C1=CC=CC(=C1)C1CNCCO1,2.18
Nc1ccc(cc1)S(=O)(=O)Nc1c[n]c2ccccc2[n]1,1.68
O=C1NCN(c2ccccc2)C21CCN(CCCC(=O)c1ccc(F)cc1)CC2,3.03
CC(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O,-0.03
Brc1cocc1,2.18
COP(=O)(OC)O\C(=C\Cl)C1=CC=C(Cl)C=C1Cl,3.13
CC(=O)NC(C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)N,0.06
CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@@H]1[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@]2(CO2)C[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H]1C,1.69
CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl,-0.13
CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F,2.8
COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2,8.6
C1COCCN1C(=O)CC(c2ccccc2)C(=O)NC(CC3=CSC=N3)C(=O)NC(CC4CCCCC4)C(O)C5CN(CC)C(=O)O5,2.83
NC(=O)NC(=O)C(Cl)(CC)CC,1.4
CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1,1.6
[Br:4][C:3]1=[C:5]([Br:6])[C:7]([Br:8])=[C:9]([C:10](=[O:11])[O:12][CH2:13][CH:14]=[CH2:15])[C:16]([C:17](=[O:18])[O:19][CH2:20][CH:21]=[CH2:22])=[C:2]1[Br:1],7.6
[CH3:12][O:11][C:10]1=[CH:13][CH:14]=[CH:15][CH:16]=[C:9]1[O:8][CH2:7][C@@H:5]([OH:6])[CH2:4][O:3][C:2]([NH2:17])=[O:1],0.61
CC1=CC=CC=C1,2.7062
N#Cc1ccc(cc1)C=CC(=O)C(F)(F)F,2.42
CCOCc1ccccc1,2.16
NN1C(N2CCOCC2)=NN=C(C(C)C)C1(=O),0.49
O=C1C(N(C)C)=CC(=O)C(N(C)C)=C1,1.03
CNC(=O)O/N=C/1\COCCS1,0.0
[Cl-].CN1C=C[N+](CC2CCCCN2S(=O)(=O)C(F)(F)F)=C1\C=N\O,-0.69
OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br,5.3
N1C=Nc2n(C3CCC(COC(=O)C(C)(C)C)O3)cnc2C1=O,0.6
C1C(C(=O)O)C2=CC=C(C(=O)c3c(C)cccc3)N2C1,2.9
c1ccccc1C(C(C)C)C(=O)OC,3.33
OC1=C(O)C=C(\C=C/C(=O)NCCC2=CC=CC=C2)C=C1,2.72
C1=CN=CN1CC(O)CN2CCC2C(=O)OC,-0.29
OC1CCCCC1O,0.1566666666666666
C1CN(CCN1)c1ccc2ccccc2[n]1,2.04
[CH3:1][C@H:2]([C:3]#[CH:4])[N:5]([CH3:6])[C:7](=[O:8])[NH:9][C:10]1=[CH:16][CH:15]=[C:13]([Cl:14])[CH:12]=[CH:11]1,3.0
C[C@@H](Cl)CCl,2.025
NS(=O)(=O)c1ccc2NCNS(=O)(=O)c2c1,-0.52
Oc1ccc(cc1)N=O,1.185
CC[C@@H](C)C1=CC=CC=C1,4.57
CC1=C(Cl)C=C(C=C1Cl)C1=NN=C(O)C=C1,3.2
CC(C)CC(NC(=O)C(C)N)C(=O)NC(C(C)C)C(O)=O,-0.14
c1ccccc1COC(=O)Nc2cc(OCC)c(OCC)cc2,3.29
Cc1cc(ccc1C)OC(=O)NC,2.09
C[C@H]1O[C@@H]2[C@@H](CO1)O[C@@H](OC1C3COC(=O)[C@@H]3[C@@H](c3cc4OCOc4cc31)c1cc(OC)c(O)c(c1)OC)[C@H](O)[C@H]2O,0.6
CC1(C)C(\C=C(/Cl)C(F)(F)F)C1C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1,6.9
NC1=NC(=O)N(C=C1F)C1CCC(CO)O1,-1.09
CN(C)C1=CC=C(C=C1)C(=C)C1=CC=C(C=C1)N(C)C,5.3
Cc1ccccc1CC,3.53
C[N+](C)(C)CC1CCCC1,-2.0
OC(=O)CC[n]1[n]c2ccccc2[n]1,-0.03
CCN(CC)C(C)C(=O)Nc1c(C)cccc1C,2.73
c1cc(N)ccc1S(=O)(=O)Nc2ncc(C(C)C)cn2,1.23
OCc1cnc(C)c(O)c1C=NNc2ncccc2,2.46
C[C@H]1CCCC[C@@H]1NC(=O)COC1=NC=NC2=CC=CC=C12,3.11
O=S1CC2=NOS3=C2C(=NO3)C1,-0.3
CC[C@H](Br)C(O)=O,1.42
Oc1cc(Cl)c(Cl)cc1Cl,3.76
c1cc(Br)oc1C=C(N(=O)(=O))C(=O)OC,2.74
Cc1cc(C)[n]c(C)c1,1.88
O=C1CCC(=O)N1c1cccc(Cl)c1,0.98
CCCCCCCCCl,4.89
CCCNC(=O)NN,-1.1
ClC1=CC2=C(OC(=O)N2)C=C1,1.6
S1C=CC=C1C=NNC(N)=N,0.98
CCCCCCCCCCCCCCCCCCCCCCO,9.0
CN1C(=O)CC(C1=O)C1=CC=CC=C1,0.7
FC(F)(F)C(=O)\C=C\C1=CC=C(Cl)C=C1,3.63
OC1=C2NC(=O)SC2=C(CCNCCS(=O)(=O)CCCOCCCCC2=CC=CC=C2)C=C1,3.62
CON(C(=O)OC)c1ccccc1COc1cc[n]([n]1)-c1ccc(Cl)cc1,3.99
C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O,-0.9
Nc1c2ccccc2[n]c2ccccc21,2.74
CCSCCN1C=NC2=NC(=O)N(C(=C21)N)C,-0.13
CC1=NNC(C(=O)NC2=CC=C(C)C=C2)=C1N(=O)=O,2.34
CCN(CC)C(C)C(=O)OCn1ncc2C(=O)NC=Nc12,0.72
CCCN(CCCCC(NC(=O)C)C(=O)NCc1ccccc1)C(=O)NCC=C,1.75
C1C[C@H](NC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O,-2.07
N1C(=O)N(OCC=C)C(=O)C(Br)=C1C,0.32
COC1=CC(OC)=CC(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)=C1,1.63
o1c(N(=O)(=O))ccc1C=CC=C2SC(=O)N(C)C2(=O),1.4
CC1(C)[C@@H]([C@H]1C=C(Cl)Cl)C(=O)OCc1c(F)c(F)cc(F)c1F,5.46
CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C)C(=O)N,0.16
COC1=CC2CCC(NC(=O)C)C3=CC(=O)C(OC)=CC=C3C2C(=C1O)OC,0.47
N1=CNC(C)=C1CSCCNC2=NC(=O)NC=C2,-0.4
c1ccc2cccnc2c1OC(=O)SCC,2.74
COc1ccccc1n2nnnc2N,0.56
Cc1cc(Cl)ccc1NC1NCCN=1,1.8
CN(OC)C(=O)Nc1cccc(CO)c1,0.62
CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC,0.73
ClC1=CC=C(C=C1)C1=NC2=CC=CN=C2N1,2.95
CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)c2ccc(C)cc2,3.21
CON=C(C(=O)NC3C2SCC=C(C(C)OC(=O)OC1CCCCC1)N2C3=O)c4csc(N)n4,2.52
COC2=C(Cl)C(=O)c1ccccc1C2=O,2.15
CC(C)/N=C1/C=C2C(C=C/1Nc1ccc(Cl)cc1)=Nc1ccccc1N2c1ccc(Cl)cc1,7.57
IC1=C(N(CC(=O)NCC2=CC=CN=C2)C=N1)N(=O)=O,0.88
CN(C)C(=O)Nc1cc(CCc2ccccc2)ccc1,3.21
CC(=O)Nc1c(OC)c(C)ccc1,1.28
C/C=C/C1=NS(=O)(=O)C2=C(N1)C=C(C=C2)Cl,1.96
CCC\C(=N/OCC)C1=C(O)CC2(CC(C)CC(C)C2)OC1=O,4.47
c1cc(N(=O)(=O))c2c(N(=O)(=O))ccn(=O)c2c1,0.95
COC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3,3.53
Clc1cc(Cl)c(Cl)c(c1)-c1cc(Cl)cc(Cl)c1Cl,7.07
CC(N)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(O)=O,-0.71
C(C[C@@H](C(=O)O)N)CN=C(N)N,-4.2
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)N,-2.49
[O-][N+](=O)C1=CN=C(S1)\N=C1/NCCO1,0.57
CCOc1cccc(OCc2ccccc2CCCN3CCC(O)CC3)c1,3.5
CN(C)CC(F)(F)F,1.06
O=C1C(N)=C(C)C(=O)C2=C1C(COC(=O)N)C3(OC)C4N(C(=O)Cc5ccccc5)C4CN23,1.15
[CH3:4][CH2:3][CH2:2][F:1],1.59
CN(C1CCCCC1)C1CCCCC1,3.71
n1cc(CC)cnc1NS(=O)(=O)c2ccc(N)cc2,0.9
CCC(C)c1ccccc1OC(=O)NC,2.78
COC1=CC=C(C=C1OC)C(=O)\C=C\NC1=CC=C(Cl)C(=C1)C(F)(F)F,5.31
n1ccccc1C(=O)N(C)C,-0.45
CCOC(=O)C1=C(C)NC(=O)N[C@H]1C1=CC=C(O1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,6.04
c1ccccc1C2=Cc3ccccc3NC2=O,2.99
CSC1=NC2=C(Cl)NC(SC)=NC2=N1,0.63
C1COCCOc2ccccc2OCCOCCO1,0.91
CCOC(=O)c1c[n]cc[n]1,0.28
Oc1cc(O)cc2OC(=CC(=O)c12)c1ccccc1,3.52
FCCCCCCCCN1C=CN=C1N(=O)=O,2.72
c1cc(N(=O)=O)ccc1C(=O)N(N)c2ccccc2,2.48
CCCc1nc(NCC#C)nc(n1)N2CCOCC2,2.3
CC1(C)CC(=CC(=O)C1)N1CCCCC1,2.83
COC(=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)C(=O)OC,4.34
Nc1ncnc2n(cnc12)C3OC(CO)C(N=N#N)C3N=N#N,0.8
CCCC(=NOCC)C2=C(O)CC1(CCSCC1)OC2=O,2.9
c1cc(C=O)cc(OC)c1OCCOC(=O)c2ccc(Cl)cc2,3.71
CN(C)C(=O)Nc1cc(Cc2ccccc2)ccc1,2.83
CCC(CC)[N+]([O-])=O,2.01
O=C1NC=Nc2[n][nH][n]c21,-1.97
C1=CC(=CC=C1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,-0.18
CN(C)C(=O)Oc1cccc(c1)N(C)C,1.93
COCCOC(=O)C1=C(C)NC(=C(C1c2cccc3OCOc23)C(=O)OCCOC)C,2.93
[CH3:25][CH2:24][CH2:23][CH2:22][C@H:19]([CH2:20][CH3:21])[CH2:18][O:17][P:2](=[O:1])([O:3][C:4]1=[CH:9][CH:8]=[CH:7][CH:6]=[CH:5]1)[O:10][C:11]1=[CH:16][CH:15]=[CH:14][CH:13]=[CH:12]1,5.73
CCOC(=O)CN1N=NN=C1Oc(c2)ccc(c2)NC(=O)N(C)C,0.7
CCCC(=O)NC(CC1=CC=C(OC)C=C1)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC1CCCCC1)C(O)C1CN(CC)C(=O)O1,2.76
CC(C)CC(NC(C)=O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(N)=O,-0.25
CCC1=NC=CC(=C1)C(N)=S,0.5
NC(=O)COC1=CC=CC=C1CC1=CN=C(N)N=C1N,-0.34
CC(=C)C(O)=O,0.93
NC1=NC(=O)N(C=C1I)C2CCC(CO)O2,-0.31
CCN1C(=O)C(=O)c2cccc(OC)c2C1=O,0.94
OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1,3.7
O.CC(C)(O)C(Cl)(Cl)Cl.CC(C)(O)C(Cl)(Cl)Cl,2.03
CN1CC[C@]23[C@H]4OC5=C(OC(C)=O)C=CC(C[C@@H]1C2C=C[C@@H]4OC(C)=O)=C35,1.58
NC(=S)c1cccc[n]1,1.24
O=CCC1=CC=CC=C1,1.78
NC1=CC=CC(CN2[C@H](CCC3=CC=CC=C3)[C@@H](O)[C@@H](CC3=CC=CC=C3)NC2=O)=C1,5.0562458
NS(=O)(=O)c1ccc(cc1)C#N,0.23
OC(=O)COC1=C(Cl)C(Cl)=CC(Cl)=C1,3.31
CC(=O)NC(CCC)C(=O)N,-0.45
O=Cc1ccc2ccccc2[n]1,2.14
CC1CCC(O)CC1,1.79
FC(F)(F)CN(C)Oc1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O,1.37
CC(C)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)c1,4.8
c1cc(F)ccc1C2=CCNCC2,2.37
Nc1ccc(I)cc1C(O)=O,2.06
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)CC(=O)CCCCCCCCCCO,4.2
O/N=C/c1[n]c([n]o1)-c1ccccc1,2.72
CS(=O)(=O)NC(=O)c1cc(ccc1[N+]([O-])=O)Oc1ccc(cc1Cl)C(F)(F)F,2.95
NC1=CC=C(C=C1)C1=NC2=C(S1)C=C(Br)C=C2,2.9
Nc1c(Cl)c(Cl)cc(Cl)c1Cl,4.343333333333333
[Cl-].CN1C=C[N+](CCOCCCl)=C1\C=N\O,-2.32
CCOC(=O)CCC(NC(=O)C1=CC=C(C=C1)N(C)CC1=CN=C2N=C(N)N=C(N)C2=N1)C(=O)OCC,0.98
CCc2ccc(OCC1CN=C(N)O1)cc2,2.27
C1CN(CCN1)c1[n]cc[s]1,0.61
[CH3:23][O:22][C:21]1=[CH:20][C:19](=[CH:30][C:27]([O:28][CH3:29])=[C:24]1[O:25][CH3:26])[C@@H:17]1[C@@H:16]2[C@@H:11]([CH2:12][O:13][C:14]2=[O:15])[C@@H:9]([OH:10])[C:8]2=[CH:7][C:6]3=[C:2]([O:3][CH2:4][O:5]3)[CH:1]=[C:18]12,2.01
Cc1ccc(cc1)NC(C)=O,1.7
CCC(C)NC(=O)C(\Br)=C\C1=CC(Cl)=CC=C1,3.9
Clc1cc(NC=NOCC#C)cc(OCC#C)c1OCC#C,2.3
C=CC(=O)NCCC1=CNC=N1,-0.21
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)OC(=O)C)OC(=O)C,-0.8
CC(Cl)C(=O)Nc1ccc(cc1)C2=NNC(=O)CC2C,1.4
OC(c1ccccc1Cl)(c1ccc(Cl)cc1)c1c[n]c[n]c1,3.645
[Cl:9][C:6]1=[CH:5][C:4]([Cl:10])=[C:3]([C:2]([Cl:1])=[C:7]1[Cl:8])[C:11]1=[C:16]([Cl:17])[CH:15]=[CH:14][CH:13]=[C:12]1[Cl:18],6.71
CCOc3cc2ncnc(Nc1cccc(Br)c1)c2cc3OCC,4.4
c1c2cccc3ccc4cc5cccc6ccc1c(c56)c4c23,7.04
C[N+]1=C(N(C=C1)COCC2=CC=CC=C2)/C=N/O.[Cl-],-1.3
O=C(c1ccccc1)N1CCCCC1,2.2
Cc1cc(O)ccc1Cl,3.1
CN1C(=O)N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C12,2.38
CC(=O)Oc1c(C(F)(F)F)cccc1,2.59
NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,0.66
S=C1Nc2ccccc2N1,1.66
C=CC(=O)OC1CCCCC1,2.8
O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1,4.75
COP(=O)(OC)OC(C)=CC(=O)OC(C)C1=CC=CC=C1,3.3
O=C1C=C2CCCC2N=C2CCCCN12,0.72
CCOC(=O)OCC\C(SC(=O)OCC)=C(/C)N(CC1=C(N2C(SC1)C(NC(=O)C(=N\OC)\C1=CSC(N)=N1)C2=O)C(=O)OCOC(=O)C(C)(C)C)C=O,3.34
CC(=O)Nc1ccccc1[N+]([O-])=O,1.0
O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1,0.95
COc1ccc2cc(ccc2c1)C(C)C(=O)OCC(=O)N,2.06
Fc1ccc(Br)cc1,3.08
CCCNC(=O)C1=CC=CN1,1.25
CC(C)c1cccc(O)c(=O)c1,1.82
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O,3.11
CS(=O)(=O)c1cccc2nc(N)nc(N)c12,0.63
Clc1cc(ccc1)-c1ccccc1,4.646666666666667
c1ccccc1COc2c(OC)cc(CCN)cc2OC,2.4
CCN1N=NN=C1Oc(c2)c(Cl)cc(c2)NC(=O)N(C)C,1.5
[CH3:13][C@:12]1([O:16][C:17](=[O:18])[N:9]([C:10]1=[O:11])[C:8]1=[CH:1][C:2]([Cl:3])=[CH:4][C:5]([Cl:6])=[CH:7]1)[CH:14]=[CH2:15],3.1
CCOP(=O)(OCC)OCC,0.8
NC(=O)c1ccc2ccccc2c1,1.88
CC1CCCC1,3.37
CN(C)C(C)(C)CO,0.29
COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C,2.44
NC(=O)c1cc(c(cc1[N+]([O-])=O)[N+]([O-])=O)N1CC1,-0.02
ClC1(Cl)C(C2)C(=CCl)C(CCl)(CCl)C2C1Cl,5.2
O=C(CN1CCCCC1)NC1COc2ccc(Cl)cc21,3.01
[NH2:1][CH2:2][C:3](=[O:4])[NH:5][C@@H:6]([CH2:7][C:8]1=[CH:13][CH:12]=[CH:11][CH:10]=[CH:9]1)[C:14](=[O:15])[NH:16][C@@H:17]([CH2:21][C:22]1=[CH:28][CH:27]=[C:25]([OH:26])[CH:24]=[CH:23]1)[C:18]([OH:20])=[O:19],-1.96
CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C,2.92
C1CN2CCC1CC2,1.29
[OH:3][C:2](=[O:1])[CH:4]1[C@H:13]2[CH2:12][CH2:11][C@H:9]([O:10]2)[C@@H:5]1[C:6]([OH:8])=[O:7],1.91
CCCN1COC2C1CCC1=CC=CC=C21,2.44
Clc1cc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c(Cl)c1,7.005
CN(C)C(=O)Oc1ccc(cc1)[N+]([O-])=O,1.5
FC(F)(F)c1cc2[n]cccc2cc1,3.02
CCC(C(=O)OC)c1ccc(cc1)n2sc3ccccc3c2=O,3.91
Cc1ccccc1OCC(O)CNCC(O)COc2c(C)cccc2,3.67
NC(=N)Nc1nc(cs1)c2ccc(N)cc2,1.08
OCCNC(=O)C(F)(F)Cn1c(N(=O)=O)ncc1,-0.52
NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O,1.27
C1=CC(=C(C=C1F)C(=O)O)Cl,2.39
C1=C(C(=C(N=C1Cl)C(=O)O)Cl)N,0.2
Oc1cc(Cl)ccc1C=O,2.49
O[C@H](CBr)[C@@H](O)[C@H](O)[C@H](O)CBr,-0.2525
Nc1nnnn1c2ccc(cc2)N(=O)=O,0.77
Cc1cc(C(O)=O)c(cc1)[N+]([O-])=O,1.63
CN(C)C(N(C)C)=S(I)c1cc(C(=O)C)ccc1,-0.88
CN(C)C1=CC=C(C=C1)/C=N/N=C(N)N,0.28
c1ccc2cccnc2c1S(=O)(=O)Nc3ccccc3,1.75
c1ccccc1CCOC(=O)C(CC)C(COC(=O)c2ccccc2)CC3=CN=CN3C,4.6
c1cc(Cl)cc(N(=O)=O)c1S(=O)(=O)CC(=O)OC(C)C,2.45
NC(=O)CCCNC(C1=CC=C(Cl)C=C1)=C1C=C(F)C=CC1=O,3.06
CCCCOC(=O)c1ccccc1,3.84
CNC(=O)N(C)C(=O)Nc1cc(CC)ccc1F,3.23
O1C(CO)CC(F)C1N2c3ncnc(N)c3N=C2C,0.1
Clc1c[s]cc1,2.55
CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,3.76
Cc1cc([n]c(Nc2ccccc2)[n]1)C1CC1,4.0
[Cl-].CN(CC[N+]1=C(\C=N\OCC2=CC=CC=C2)N(C)C=C1)S(=O)(=O)C(F)(F)F,-1.0
CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12,4.984999999999999
C1Cc2c(C)cc(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C3C1NC4C(O)C(O)C(O)CO4,1.4
COC1=CC2=C(C=C1)N=C(S2)C1=CC=C(N)C=C1,1.9
CN1C=CC=CC1=O,-0.23
OC1=C2NC(=O)SC2=C(CCNCCCNS(=O)(=O)CCOCCC2=CC=CC=C2)C=C1,1.22
Cc1cccc(C)c1O,2.36
c1ccccc1C=C(Sc2ccccc2)C(=O)NC(C)CC,4.36
COC1CC(OCC1OC2CC(O)C(O)C(C)O2)OC6CCC5(C=O)C4CCC3(C)C(CCC3(O)C4CCC5(O)C6)C7=CC(=O)OC7,-0.96
Clc1cc(-c2cc(Cl)c(Cl)cc2)c(Cl)cc1,6.273333333333333
COC1=CC=CC=C1[C@H]1CC(=O)C2=C(C1)NC(C)=C([C@H]2C1=CC=C(OC(C)=O)C=C1)C(=O)OC1CCCC1,5.81
Cc1ccc(cc1)C2(Cn3cncn3)OCCO2,1.55
CCON=C(CCC)C1C(=O)CC(c2ccccc2)(c3ccccc3)OC1=O,4.75
CC1=CSC(=N1)C#CC1=CC=CC=C1,3.6
Nc1[n][n]c(Cc2ccccc2)o1,0.95
CCCC(=O)NC(CO)C(O)C1=CC=C(C=C1)[N+]([O-])=O,0.87
OC(=O)CNC(=O)C1=CC=C(C[N+]([O-])=O)C=C1,0.98
CCN(CC)C1=CC(=CC=C1)S(O)(=O)=O,-1.6
O=C1NC=NC(=O)N1,-1.87
CC1=C(CC2=NNC(=S)N2C2=CC=C(C)C=C2)C2=CC=CC=C2N1,3.0
[CH3:15][CH2:14][CH2:13][CH2:12][O:11][C:9](=[O:10])[CH2:8][S:7][C:6]1=[CH:1][CH:2]=[CH:3][CH:4]=[CH:5]1,3.26
OC(=O)CNC(=O)c1ccc(I)cc1,1.94
C1=CSC=C1CC2=C(NC3=C2N=C(NC3=O)N)N,1.08
CC(C)CC(NC(=O)C1CCCN1)C(O)=O,-2.41
CNC(=O)COC1=C(OC[C@H](O)CNC(C)(C)C)C=CC=C1,1.36
c1c(Cl)cc2C(c3ccccc3)=NCC(=O)N(COC)c2c1,2.86
COC1=NC(NC2=CC=CC=C2)=NC(Cl)=N1,2.89
[OH:1][C:1]1=[N:1][CH:1]=[NH+:1][C:1]2=[C:1]1[CH:1]=[N:1][NH:1]2,-0.55
CCNC(=S)Nc1ccccc1,1.42
O(C(=CC1=O)C)C(C)=C1O,0.44
CC1=CC(CC2=CNC=N2)=CC(C)=C1,2.52
CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1,0.017
COC1=CC(OC)=C(C=C1OC)C1N2N=CN=C2NC2=C1C(=O)CCC2,2.19
CSC1=NN=C(C(=O)C1N)C1=CC=CC=C1,2.14
C1C(O)CC2C(O)C(O)C3C4CCC(C(C)CCC(=O)O)C4(C)CCC3C2(C)C1,2.8
CSc1ccc(C=C(C#N)C#N)o1,2.45
CC1N=C(NC(N=1)=NC(O)=NS(=O)(=O)c1ccccc1C(O)=O)OC,1.7
CC1C=CN2C(C=1)=NC=C(C(=O)OCC)C2=O,0.885
COC1=C(OC)C=C2C(CCN3C(=O)OC4(CCCCC4)[C@@]23C)=C1,3.47
CCC(C)C([NH3+])C(=O)NC(CO)C(=O)NC(CC(C)C)C([O-])=O,-2.28
OC(=O)COc1cc(SC)ccc1,1.9
C1(C)CCCCC12CC(=O)C(C(CCC)=NOCC)C(=O)O2,3.9
COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=C1,6.4
c1cc(I)ccc1N2C(C)(C)N=C(N)N=C2N,1.39
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,1.5
[CH3:1][CH:2]([CH3:3])[N:4]([CH2:8][CH2:9][S:10][P@@:11]([CH3:12])([OH:14])=[O:13])[CH:5]([CH3:6])[CH3:7],0.96
[H][C@@]12CC[C@](O)(C(=O)CS)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,4.48
OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Br)C=C1,3.65
NC(N)=N[N+]([O-])=O,-0.89
CCSCS(=O)CC(C)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O,-0.3
c1cc(N(=O)(=O))ccc1C=NNP(=O)(N2CC2)N3CC3,0.45
"CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:15,31,t:21|",5.9
CNc1ccccc1,1.74
CCCN(C)CC(=O)Nc1c(C)cccc1C,2.28
Cc1cc(O)cc(C)c1,2.35
[O-][N+](=O)C1=CC=C(O1)\C=C\C=C1/SC(=S)NC1=O,0.93
[CH3:1][N:2]([N:3]=[O:4])[C:5](=[O:6])[NH:7][C@@H:8]1[C@@H:9]([OH:10])[O:11][C@H:12]([CH2:13][OH:14])[C@H:15]([OH:16])[C@H:17]1[OH:18],-0.85
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,1.5
c1c(OC)cccc1C2C(=O)c3ccccc3C2=O,2.88
Nc1cc(ccc1)C(O)=O,0.495
CC(=O)\C=C\C1=CC=C(C=C1)C(F)(F)F,3.13
CN(C)C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1,3.36
CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc1[n]c2ccc(cc2[s]1)[N+]([O-])=O,4.08
CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C,4.92
CC(C)(C)C(=O)N[C@H]1CCC(=O)O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O,0.179
CNC(NC)=N[N+]([O-])=O,-0.7
C1CCCCC1N(Sc1[n]c2ccccc2[s]1)C1CCCCC1,4.8
CNC(=O)O\N=C1\CSCS1,0.51
Clc1ccc(cc1)-c1cccc(Cl)c1Cl,5.42
CS(C)=O,-1.35
CC(=O)C(=Cc1c(OC)cccc1)C(=O)C,1.73
c1ccccc1N(C(=O)CC)C2(C(=O)OC)CCN(CCc3ccccc3)CC2C,4.22
c1cc2N=NN(C(C)C(=O)OCC)c2cc1,1.87
Nc1nnnn1c2ccc(Cl)c(Cl)c2,2.06
CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1,2.9766666666666666
COC1=CC(=CC=C1CC1=CN(C)C2=C1C=C(NC(=O)OC1CCCC1)C=C2)C(=O)NS(=O)(=O)C1=CC=CC=C1C,5.4
[O-]C(=O)CC([O-])=O,-0.81
NC1=NC(=O)C2=C(N1)N(COCCO)C=N2,-1.6800000000000002
c1ccccc1C(O)C(C)N(C)C,1.7
CCN1CCN(C(=O)N[C@H](C(=O)N[C@@H]2[C@@H]3SCC(CSC4=NN=NN4C)=C(N3C2=O)C(O)=O)C2=CC=C(O)C=C2)C(=O)C1=O,-0.74
c1ccccc1-[n]1cccc1,3.08
O=C1C=Cc2ccc3occc3c2O1,2.08
N[Pt]1(N)(OC(=O)CCC(=O)NC2CCCCC2)(OC(=O)CCC(=O)NC2CCCCC2)OC(=O)C2(CCC2)C(=O)O1,1.33
O=N(=O)c3ccc2Cc1ccccc1c2c3,3.99
CC(C)(C)C(=O)OCn1cc2C(=O)NC=Nc2n1,0.79
Oc1ccccc1C(=O)Nc1ccc(Cl)cc1,4.5
OC1=C(\C=N\NC(=O)C2=CC(F)=CC=C2)C=CC=C1,3.41
S=C(NN=Cc1ccco1)Nc2ccccc2,3.13
[NH3+]CC([O-])=O,-3.0
CC(C)N=O,0.12
c1cc2N=C(C(CC)CC)NS(=O)(=O)c2cc1,1.88
OCCSCCO,-0.63
O=[N+]1[N-]C(=Nc2ccc(Cl)cc12)[n]1c[n]cc1,2.04
C=CCn1cccn1,0.35
O=C1C=C(c2ccccc2)C(=O)C=C1,1.95
[CH3:8]\[CH:7]=[C:1]1/[CH2:9][C@@H:5]2[CH2:6][C@H:2]1[CH:3]=[CH:4]2,3.82
CN1CC(CC)C(OC(=O)CC)(c2ccccc2)CC1,3.61
CS(=O)(=O)N\N=C\C1=CC=CC=C1,1.2
OC(=O)c1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3,2.61
CCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2,5.25
OCCN(C)C(=O)COC(=O)c1ccccc1O,0.86
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C,-0.67
O=N(=O)c1ccccc1NC(=O)NN,-0.47
CN(CCCN1C=CN=C1\C=N\O)S(=O)(=O)C(F)(F)F,1.77
c1cc(N(=O)=O)cc(N(=O)=O)c1SCC(=O)OC(C)C,2.81
CC1=CC=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,-0.16
COc1ccc(cc1)C4Cc2c(cccc2C(=O)OCc3ccccc3)N(CCN(C)C)C(=O)C4OC(C)=O,5.3
CC(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)N,-0.21
CC(O)C(NC(C)=O)C(N)=O,-1.57
CC(C)(C)C(=O)Nc1ccccc1,1.99
S1C=CN=C1c2ccc(C(C)C(=O)O)cc2,2.79
OCCN1CCSC1=Nc2sc(N(=O)(=O))cn2,1.28
CCCOP(=O)(OCCC)OCCC,1.87
CC1(C)OC2C3OC(C)(C)OCC3OC2(O1)C(O)=O,1.35
N[C@@H](CC(N)=O)C(O)=O,-3.82
CC=CCCCCC,4.51
Clc1ccc2ccccc2[n]1,2.71
COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1,-0.21
CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N3CCNCC3)N=C2N(C2CCCC2)C1=O,0.99
OC1=C(C(=O)NC2=CC(Cl)=CC=C12)C1=CC=CC(CC2=CC=C(CCN3CCOCC3)C=C2)=C1,5.2
CCN(CC)\C=N\C1=NC(=O)N(C=C1)C1CC(O)C(CO)O1,-0.59
NC(=S)N\N=C(\C1=CC=CC=C1)C1=CC=CC=N1,1.92
ClCCCc1ccccc1,3.55
c1(Cl)cc2NC(SCC(=O)O)=NS(=O)(=O)c2cc1,0.82
CC1=CC=C(OP(=O)(OC2=CC(C)=CC=C2)OC2=CC=CC=C2C)C=C1,5.11
CNC(=O)Oc1ccc(Cl)cc1,2.01
Cc1c[n]cc(C#N)[n]1,0.44
S=C(NC1CCCCC1)NC1CCCCC1,3.69
O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC(O)=C1)[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1NC(=O)OCC1=NC=CC=C1,-0.69314718
CC1=CC=C2NC(N)=NC2=C1,1.11
Nc1[n]c2c([n]c[n]2[C@H]2CC[C@@H](CO)O2)c(Cl)[n]1,0.21
[I-].CCCCCCCCCC[N+]1=CC=CC(=C1)C(N)=O,-0.29
O=C1N(N)C(SC)=NN=C1c2cc(Cl)cc(Cl)c2,3.02
NC1=NC(F)=C2N=CN(C3CCC(CO)O3)C2=N1,-0.05
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C,2.7
CC(C)CC(=O)C1=C(O)[C@](O)(CC=C(C)C)C(=O)C(CC=C(C)C)=C1O,3.01
COC1=CC(=O)c2n3CCC(OC(=O)C)c3c(COC(=O)NC)c2C1=O,1.19
NC(=O)Nc1cccc(Br)c1,2.08
[CH3:1][C:2]1=[CH:3][C:4]([OH:5])=[N:6][O:7]1,0.46
CNCCCN1c2cc(Cl)ccc2Sc2ccccc12,4.94
n1nc(N2CCCCC2)ccc1NN3C(C)=CC=C3C,3.13
[Cl-].CCC(CC#CC1=CC=CC=C1)OC[N+]1=C(\C=N\O)N(C)C=C1,0.21
Cc1cc(Br)cc(c1O)C(=O)NCC,3.61
CN(C)C1C2CC3C(O)C4=C(Cl)C=CC(O)=C4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O,-0.6
CCNc1[n]c(N)[n]c(Cl)[n]1,1.15
NC1=CC(=O)c2ccccc2C1=O,1.77
C1=CC2=NN(C(C)CCC(=O)OCC)N=C2C=C1,3.05
COc1cc2CC(O)C(NC(=O)C)c3cc(=O)c(OC)ccc3c2c(OC)c1OC,0.33
O=P(OCC)(OCC)Oc1c(Cl)cc(SC)cc1,3.05
[CH3:1][NH:2][C:3](=[O:4])[O:5]\[N:6]=[C:7](/[CH3:8])[S:9][CH3:10],0.6
CC[N+](C)(CC)CC,-2.13
CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C([NH3+])CO)C([O-])=O,-2.03
CCCCCCCC(=O)N[C@H]1[C@H]2SC(C)(C)[C@H](C(O)=O)N2C1=O,3.32
N#Cc1ccc(cc1)OCC(O)=O,0.93
CCC(C)C(NC(=O)C)C(=O)NC,0.14
OC[C@@H]1CC[C@@H](O1)N1C=C(I)C(=O)NC1=O,-0.61
CC(=O)Nc1ccc(cc1)SC,2.03
CNC(=O)ON=C1C(C)(C)SCS1,1.31
O1C2CC(C)(O3)C3C(O)C4C(=C)C(=O)OC4CC(=C2)C1=O,-0.64
CC(C)CCOC(=O)c1ccccc1,4.15
Cc1cccc(Cl)c1C(N)=O,0.89
CNC1=NN=C(C(C)C)C(=O)N1N,0.3
COCC1=C(C2=CC=C(F)C=C2)C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)=C(C(C)C)N=C1C(C)C,3.6
Cc1ccc(C=CC(C)=O)cc1,2.65
c1ccccc1OCc2cc(CN(CC)CCO)ccc2,3.04
c1cc2S(=O)(=O)c3cc(NC(=O)C)ccc3C(=O)c2cc1,2.35
CCC(CC1=NC=CC=C1)C(N)=O,-0.01
CCCCC(NC(Cc1ccccc1)C(=O)N2CCC(CC2)OCOC)C(=O)NC(CC3CCCCC3)C(O)CC(C(C)C)C(=O)NCCN4(=O)CCOCC4,4.07
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)C,-1.13
ClC1=CC=CN=C1NS(=O)(=O)C1=CC=CC=C1,1.57
CC(C(=O)OC1CCCCC1)S(=O)(=O)c2ccc(cc2)N(=O)=O,2.82
CN(C1CCN(CC1)CC(O)COc2ccc(F)cc2)c4nc3ccccc3s4,4.61
CCN(CC)S(=O)(=O)N1CCC[C@@H](C1)C(=O)NC1CCCCC1,3.58
C=CCn1cnc2C(=O)NC(Nc3ccccc3)=Nc12,1.75
CCOC1=CC=C(\C=N\NC(N)=N)C=C1,0.24
CN1C(=O)Nc2n(CCOC=C)cnc2C1=N,-0.24
C[C@H]1/C=C/C=C(\C(=O)N=C2C(=C3C(=C4C2=NC5(N4)CCN(CC5)CC(C)C)C6=C(C(=C3O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)/C,4.5
NC(=O)Cc1cccc2cccnc12,1.87
CCOC(=O)CN1C(=O)Sc2cccc(Cl)c12,2.5
O\N=C\C1=CC=CC=C1,1.8
COC(=O)c1ccc(Cl)cc1,2.87
OC(=O)c1ccccc1NC(=O)c2c(O)cccc2O,3.52
CCOC(=O)C(=Cc1ccc(F)cc1)C(=O)OCC,3.1
c1cc(OC)ccc1COCc2cc(CN3CCOCC3)ccc2,2.83
[Cl:16][C:12]1=[CH:11][C:10]2=[C:9]([O:8][C:7]3=[C:6]2[CH:5]=[C:4]([Cl:17])[CH:3]=[C:2]3[Cl:1])[C:14]([Cl:15])=[CH:13]1,6.37
O=Cn1c2CNCCc2c3ccccc13,0.26
C[C@H]1[C@@H]2CC[C@H](C[C@H]2C3=C(N1)C=C(C=C3OC(=O)C)O[C@H](C)CCCC4=CC=CC=C4)O,5.7
CCC(C)(C)COC(N)=O,1.45
CC(Oc1cccc2ccccc21)C(=O)N(CC)CC,3.36
CN(C)C(=O)N1CCN(CC2=CC=NC(NC3=NC=C(S3)C#N)=C2)CC1,2.74
CCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCC2.[Cl-],5.29
CNC(C1=CC=CC=C1)C1=CC=CC=C1,4.22
CC(=O)NC(CC1=CNc2ccccc12)C(=O)NC(C(C)C)C(=O)N,0.73
CN\C(NCC1=CN=C(Cl)S1)=N\N(=O)=O,0.7
[CH3:5][CH2:4][O:3][P:2](=[S:1])([O:6][CH2:7][CH3:8])[O:9][C@H:10]([Cl:11])[C:12]([Cl:13])([Cl:14])[Cl:15],4.59
CC(C(O)=O)c1ccc(cc1)N3CC2CCCCC2C3=O,3.15
C\C=C\C1=CC=CC=C1,3.35
CC1=CC=C(CNC(=O)C2CCN(CC2)S(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1,4.01
CNC1CCC(C2=CC(Cl)=C(Cl)C=C2)C2=C1C=CC=C2,4.3
NC(=O)C[n]1cc[n]c1[N+]([O-])=O,-1.22
CO\N=C(/C(=O)NC1C2SCC=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C1=CSC(N)=N1,1.76
CN(C)C(N(C)C)=S(I)c1cc(N(=O)=O)ccc1,-0.88
CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1,5.66
CC1=NC(=CS1)C1=CC=C(Cl)C=C1,3.65
OC(=O)CCCCCc1ccccc1,3.27
CC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C,-0.51
CCNC(=S)SC,1.57
CC(C)CCO,1.29
[O:9]=[C:8]1[CH:7]([C:16](=[O:17])[C:15]2=[C:10]1[CH:11]=[CH:12][CH:13]=[CH:14]2)[C:6]1=[N:5][C:4]2=[C:20]([CH:21]=[CH:1][CH:2]=[CH:3]2)[CH:19]=[CH:18]1.[CH3:23][C:22]1=[CH:43][C:42]2=[C:26]([CH:25]=[CH:24]1)[N:27]=[C:28]([CH:40]=[CH:41]2)[CH:29]1[C:30](=[O:31])[C:32]2=[C:37]([CH:36]=[CH:35][CH:34]=[CH:33]2)[C:38]1=[O:39],4.1
NCCCO,-1.12
CC[C@H](C)NC1=C(C=C(C=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O,4.54
CCOC(=O)C(C)NC(=O)CCCCSc1c2NC=Nc2ncn1,1.51
CN1CCN(CC1)N=O,0.2
N1=C(CC(=O)O)C(=O)ON1,-1.66
n1c(N)nc(N)nc1c2cc(Br)ccc2OC,1.53
CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1,2.5
S1C(N(C)C)=NC(=O)C1=Cc2ccc(N(=O)(=O))o2,1.14
C[Si](C)(C)Cc1ccccc1,4.13
CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1,4.4
CN(C)C(=O)Nc1cccc(Cl)c1,2.0
CCOC(=S)NCCn1c(C)ncc1N(=O)=O,1.5
Cc1cc(ccc1SC)OC(=O)NC,2.47
Cl[Pt]1(Cl)(N[C@@H]2CCCC[C@H]2N1)(OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1,1.114
[CH3:2][C:1]1([CH3:3])[CH:7]([C:8](=[O:9])[O:10][C@H:11]([C:12]#[N:13])[C:14]2=[CH:26][C:18]([O:19][C:20]3=[CH:25][CH:24]=[CH:23][CH:22]=[CH:21]3)=[CH:17][CH:16]=[CH:15]2)[C:4]1([CH3:5])[CH3:6],5.7
n1c(N)nc(N)c(Cc2c(OC)ccc(I)c2)c1,2.7
CN(C(=S)c1ccccc1)c1ccccc1,3.12
Oc1cc(F)ccc1,1.93
CC(=O)Nc1cc(CC)c(O)c(CC)c1,2.115
Cc2onc(c1ccccc1Cl)c2C(=O)NC4C3SC(C)(C)C(N3C4=O)C(O)=O,2.48
NS(=O)(=O)c1cc(ccc1)S(N)(=O)=O,-0.55
CCCC1=CC(=C2C=C(C=CC(OC)=C12)C(C)C)S(=O)(=O)O[Na],-0.01
[O-][N+](=O)c1cc2c(cc1)-c1ccc(cc1C2=O)[N+]([O-])=O,2.84
O(c(nccn1)c1C)C,1.24
SC(=O)CC1=CC=CC=C1,1.91
CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1,1.17
Cc1c(Cl)cccc1Cl,4.140000000000001
CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(C)N)C(C)C)C(O)=O,-1.74
c1c(Cl)cc2C(c3ccccc3)=NCC(=O)N(CC)c2c1,3.21
CCC(=O)N(C)SN(C)C(=O)O\N=C(/C)SC,1.6
CO[C@@H]1[C@@H](Cl)[C@H](Cl)[C@@H](OC)[C@H](Cl)[C@H]1Cl,3.15
N#C/N=[N+](\[O-])/c1ccc(cc1)[N+]([O-])=O,1.51
O=N(=O)c1ccccc1S(=O)(=O)NC(=O)C(CC)CC,2.17
CC(C)COCCO,0.75
C=CCOc1ccc(CC(O)=O)cc1Cl,2.48
[Na+].CC1(C)c2c3ccccc3ccc2[N+](CCCCS([O-])(=O)=O)=C1/C=C/C=C/C=C/C=C1\N(CCCCS([O-])(=O)=O)c2ccc3ccccc3c2C\1(C)C,-0.29
O[C@H](C1CC2CCN1CC2C=C)C1=CC=NC2=C1C=CC=C2,2.68
CN(C)C(=O)[C@H]1OC(C)(C)O[C@@H]1C(=O)N(C)C,1.49
c1c(C)c(C)ccc1C(=O)N(C(C)(C)C)NC(=O)c2ccccc2,3.34
Cc1[n]cc[n]c1C,0.54
CCC1=CC=CC(NC2=CC=NC=C2S(=O)(=O)N\C(NC(C)C)=N\C#N)=C1,2.4
O=CNc1cccc2ccc[n]c21,1.8
CCN(CC)CCN1C(=N)ON=C1C1=CC=CC=C1,1.96
c1c(Cl)cccc1C(=O)N(C(C)(C)C)NC(=O)c2ccccc2,3.28
CC(C)CNC1=CC=NC=C1S(=O)(=O)N\C(NC(C)C)=N\C#N,0.88
c1cc(C(C)C)ccc1C(O)C(CO)NC(=O)C(Cl)Cl,2.24
OC(O)C(Cl)(Cl)Cl,0.99
c4ccnn4C13CC2CC(C3)CC(C2)C1,3.05
O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12,0.33
Cl[Pt](Cl)(NC1CCCCC1)NC1CCCCC1,0.63
Clc2cc(Cl)c1oc(cc(=O)c1c2)c3ccccc3,4.76
c1ccc2OCCOCCOCCOCCOCCOCCOc2c1,0.57
COC1=CC=C(C=C1OC)C1=NN=C(N)S1,2.34
CSC1=NC2=C(N1)C=C(Cl)C(OC1=CC=CC(Cl)=C1Cl)=C2,3.48
O=C1CC2OCC=C3CN4CCC56C4CC3C2C5N1C1=C6C=CC=C1,1.93
CCc1ccsc1,2.82
c1cc(N)cc(O)c1C(=O)Oc2ccc(Br)cc2,3.46
CC(=O)NC1CC(=O)N(c2ccccc2)C1=O,-0.33
CCOC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3,3.89
FC1=CC=CC(F)=C1C(=O)N1CCCC1,1.88
CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1,0.8
CC[C@H](C)[C@@H](C(=O)N)NC(=O)C,-0.03
CS(=O)(=O)c1cccc2ccccc21,1.74
CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C1CCC[NH2+]1)C([O-])=O,-1.64
CNC(=O)ON=C1CSC(C)(C)S1,1.33
S1C=C(C)N=C1c2ccc(C(C)C(=O)O)cc2,3.03
CC(=O)Nc1cc2[s]c([n]c2cc1)S(N)(=O)=O,0.86
CCO\N=C\NC1=CC(F)=C(OCC#C)C(OCC#C)=C1,2.1
CC(=O)C1=CC2=C(C=C1)C(CCC2(C)C)(C)C,4.8
[I-].CC[N+](C)(CC)CC,-2.13
CNC(=O)N(C)C(=O)Nc1cc(C(C)C)ccc1F,3.53
CC1=N(=O)ON=C1C(=O)C,0.89
CCCCCOc1ccccc1NC(=O)OCCN2CCCCC2,4.97
c1cc(CCCC)ccc1Cn2ncnc2,2.81
OCc1cnc(C)c(O)c1C=NNC(=O)c2ccccc2,2.23
Clc(ccc1C=CC(=O)C)cc1,2.8
O1C(C)CN(C)CC1(OCC)c2ccccc2,2.23
[CH3:9][CH2:8][CH2:7][S:6][P@:2](=[S:1])([O:3][CH2:4][CH3:5])[O:10][C:11]1=[CH:18][CH:17]=[C:14]([S:15][CH3:16])[CH:13]=[CH:12]1,5.48
CCCNC(C)CC,1.91
CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC=N1)C(N)=O,1.0
c1ccc2OCCOCCOCCOCCOCCOCCOCCOCCOCCOc2c1,0.03
[Cl-].CN1C=C[N+](CCCOC(=O)C2=CC=C(Cl)C=C2O)=C1\C=N\O,-0.07
COP(=O)(Oc1cc(Cl)c(cc1)[N+]([O-])=O)OC,1.83
C1=CN=CN1CC(O)CN2C3CCOCC23,0.07
ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2,2.9
CS\C(C)=N/OC(=O)N(C)SN(C)C(=O)C1CC1,1.7
CCOC1=CC(NC2=CC=C(C=C2)S(N)(=O)=O)=NC(OCC)=N1,2.4
CNC(=O)O\N=C1\SCOC1CCOC,0.51
CNC(=NC#N)NCCCCc1ncccc1OC,1.5
[CH3:10][C:1]1=[CH:9][CH2:5][C@@H:4]2[CH2:3][C@H:2]1[C:6]2([CH3:7])[CH3:8],4.635
O6C(C)C(OC(=O)C)C(OC)CC6OC1CC2CCC3C4(O)CC(OC(=O)C)C(C5=CC(=O)OC5)C4(C)CCC3C2(C)CC1,2.95
O=S1(=O)N=C(NC2=CC=CC=C12)C1CCCCC1,2.2
COC1=CC(\C=N\O)=CC=C1OCCOC(=O)COC1=CC=CC=C1,2.1
CC(=O)CC(=O)Nc2nn(=O)c1ccccc1n2=O,-1.4
O=C(NN=CC1=CNC=C1)NC1=CC=CC=C1,2.96
CC(=O)CC(=O)OCC,0.25
CN(C(C)C)C(C)(C)C#C,2.29
c1cc(N(=O)(=O))oc1C=CC(#N),1.05
[OH:1][CH2:2]\[CH:3]=[CH:4]/[C:5]1=[CH:10][CH:9]=[CH:8][CH:7]=[CH:6]1,1.95
Cc1cccc(C=N(=O)C(C)(C)C)c1,1.6
[NH2:8][C@H:7]([C:9](=[O:10])[NH:11][C@H:12]1[C@H:21]2[S:20][CH2:19][C:17]([Cl:18])=[C:16]([N:15]2[C:13]1=[O:14])[C:22]([OH:24])=[O:23])[C:6]1=[CH:1][CH:2]=[CH:3][CH:4]=[CH:5]1,-1.79
COc1ccc(cc1)C(=O)CS(=O)(=O)c1ccccc1,2.18
COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1,2.1
CC(=O)Nc1c(C)cc(O)cc1C,0.555
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)N(C)C)O)C)O,2.03
C(CC1=CC=CC=C1)NC1=NC=NC2=C1N=CN2,2.42
O[C@H](C(O)=O)C1=CC=CC=C1,0.62
N1(C2OC(COC(=O)C)C(OC(=O)C)C2OC(=O)C)C(=O)NC(=O)C=C1,-0.36
Clc1cc2c(c(Cl)c1)c(Cl)ccc2Cl,5.785
COc1ccc(NC(=O)N(C)C)cc1,0.83
CCCCCCCCC1=CC=C(O)C=C1,4.12
O1C(c2ccccc2)CN(C(C)C)CC1,2.3
CC(=O)NC1=NC2=C(N=CN2COCCOC(C)=O)C(=O)N1,-0.85
CN1CCOCC1,-0.33
CNC(=O)ON=C1C(C)OCS1,0.46
CCCc1ccc(CO)cc1,2.67
OC(=O)CC1=C2C=CC=CC2=CC=C1,2.24
CC1CCCC2C1N2CC(CN3C=CN=C3[N+](=O)[O-])O,1.55
ClC1=CC=C(CCN2CCN\C2=C/N(=O)=O)C=N1,-0.23
CC1(C)COC(Cn2cncn2)(OC1)c3ccc(cc3Cl)n4ccnc4,2.26
O[C@H]1[C@@H](CC2=CC=CC=C2)N(CC2=CC=CC=C2)C(=O)N(CC2=CC=CC=C2)[C@@H]1\C=C\C1=CC=CC=C1,6.1312265
Clc1cc(Cl)c(cc1)-c1cc(Cl)c(Cl)cc1,6.105
Cc1ccccc1OC,2.74
NC(=O)c1ccc(Cl)[n][n]1,0.0
C[C@@H](NC(=O)C1CCN(CC1)C(=O)C1=CC=C(F)C=C1)C1=CC=CC=C1,3.48
CC1=NC=C(CO)C(\C=N\NC(=O)C2=CC(F)=CC=C2)=C1O,2.42
CC(O)CNc2cc(NC(C)=O)c(N=Nc1ccc(cc1Cl)N(=O)=O)cc2Cl,4.0
ClC1C(OC)C(SC)C(Cl)C(Cl)C1Cl,3.3
c1[n]c2ccccc2[s]1,2.01
OCCCCN1C=CC(=O)C(O)=C1C,-0.74
CN(C)\N=N\C1=CC(=CC=C1)C(O)=O,2.03
c1cc2cccc3ccc4cccc1c4c32,4.915
c1cc(O)c(O)cc1CC(N)C(=O)OCc2cc(C(F)(F)F)ccc2,2.29
CC(C)NC(=S)N1CCN(CC1)S(=O)(=O)C1=CC=CC(=C1)C(F)(F)F,3.9
CCOC(=O)C(=Cc1ccc(cc1)[N+]([O-])=O)C(=O)OCC,3.03
CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(C)N)C(=O)NCC(=O)NC(Cc1ccccc1)C(O)=O,-0.63
Cc1cccc(Cl)c1Cl,3.96
NCCC1=CN2CCCCC2=N1,0.59
OCC1OC(CC1O)N1C=NC2=C(NC(=O)C3=CC=CC=C3)N=CN=C12,0.22
Clc1cc(Cl)c(cc1)-c1ccc(Cl)c(Cl)c1Cl,6.455
CN1C2=CC=CC=C2N2C3=NC(C#N)=C(N=C3C(C#N)=C12)C#N,3.61
CC(C)CC(NC(=O)C(CO)NC(=O)C(CC(C)C)NC(C)=O)C(N)=O,-2.35
COC1=C(C=C2CC[C@@H](C3=CC(=O)C(=CC=C3C2=C1OC)SC)NC(=O)C(F)(F)F)O,2.61
Fc1cccc[n]1,0.84
CCOC(=O)C1=C(C)NC(=C(C1c2cc(OC)c(O)c(OC)c2)C(=O)OC)C,2.83
CCCCCCCOC(C)=O,3.46
NCC1=CC(=O)NO1,-2.39
Clc1cc(NC=NOCc2ccccc2)cc(Cl)c1OCC#C,4.2
COc1ccccc1NC(=O)Cc1ccccc1,2.68
ON=Cc1nc(no1)c2cccs2,2.47
O=C1N2CCCC2=NC2CCCC=C12,0.22
CCCCC(=O)O[Pt]1(N[C@@H]2CCCC[C@H]2N1)(OC(=O)CC)(OC(=O)CC)OC(=O)CC,1.243
CN(C)CCN1c2ccccc2Sc2ccccc12,4.2
OC(=O)CC(O)(CC(O)=O)C(O)=O,-1.68
OC[C@@H]1O[C@@H](C[C@H]1O)N1C=C(Br)C(=O)NC1=O,-0.29
c1ccccc1C(CCCCC)CCCCCCCC,9.16
COc3ccc(CCNCC(O)COc1ccc(cc1)c2ncco2)cc3OC,2.6
[OH:5][C:4]1=[CH:6][CH:7]=[N:1][CH:2]=[N:3]1,-1.38
CC1=CC(=S)SS1,1.89
C1=CC2=NN(C3CCCC3)N=C2C=C1NC(=O)c4ccc(Cl)cc4,4.11
c1(C)cc2NC(SCC(=O)O)=NS(=O)(=O)c2cc1,0.7
CCOC1=CC(C)=CC=C1O,2.5
c1ccc2nsnc2c1,1.98
NC1=CC(Cl)=CC(C(O)=O)=C1Cl,1.11
CN(CC1=CC=C(Cl)N=C1)C(C)=NC#N,0.8
CC1([C@H]([C@H](C(N1[O])(C)C)C(=O)O)C(=O)O)C,0.46
CC1C(=O)N2C=CC=CC2=NC=1C,1.0
O=P(NC=C)(NC=C)NC(=O)c3ccc(OC)cc3,1.08
CN1CCC23C4OC5=C2C(CC1C3(O)CCC4=O)=CC=C5O,0.83
c1ccccc1C(=O)OCC(=O)NC(=O)C,1.24
CC(=O)O\C=C1\CSC2C(NC(=O)CC3=CC=CC=C3)C(=O)N2C1C(O)=O,0.2
COc2cc(OC)c1CC(O)C(Oc1c2)c3ccc(OC)c(OC)c3,3.1
Nc1c(Cl)cc(Cl)cc1Cl,3.51
O=C1NC(=O)CC(=O)N1,-1.455
Cc1c(Cl)c(Cl)c(cc1Cl)C(C)C,6.2
CNC(=S)NCC(F)(F)C(F)(F)C(F)(F)F,1.99
O[C@@H]1[C@@H](CCC2=CC=C(F)C=C2)N(CC2=CC(=CC=C2)C#N)C(=O)N(CC2=CC(=CC=C2)C#N)[C@@H]1CC1=CC=C(F)C=C1,2.6390574
O=N(=O)OCCCCCCCCON(=O)=O,4.4
CCOC(=O)Cc1ccc(O)c2ncccc12,2.26
CCC(=O)OCCOC1=C(OC)C=C(\C=N\O)C=C1,1.52
c1cc(C)c(Cl)c(Nc2ccccc2CC(=O)O)c1Cl,4.93
CC(=O)C1=C(C)NC(SCC(=O)NC2=CC=CC=C2)=C(C#N)[C@H]1C1=CC=CC=C1Cl,4.97
CC(C)C(=O)OCC(=O)C3(O)C(C)CC4C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC34C,3.4
CN1C(=O)N(C)C(=O)C(C(=O)CSC2=C(SCC(=O)C3=C(N)N(C)C(=O)N(C)C3=O)N=C3C=CC=CC3=N2)=C1N,2.59
CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OC,9.32
c1ccccc1OCCOCC(O)CNC(C)(C)C,2.35
CCC(C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC,1.3862944
CC(=O)C=NO,0.34
COC1=CC=C(\C=C\C(O)=O)C=C1,2.68
C1(I)=C(N(=O)=O)N(CC(=O)OCC)C=N1,0.93
COC1=CC=C(NC(=O)\C=C/C2=CC(O)=C(O)C=C2)C=C1OC,2.3
N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F,1.5
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OS(=O)(=O)O,-0.21
CC(C)C[C@H](N)C(O)=O,-1.52
CCOC(=O)[C@@H](SP(=S)(OC)OC)C1=CC=CC=C1,3.69
CC(CC(O)=O)N1N=C2C=CC=CC2=N1,0.34
CC(C)=CCCC1=CCC(C)(CC1)C=O,4.69
NC(=O)c1ccccc1NC(=O)C(Cl)Cl,1.68
CNc1[n]c2ccccc2o1,1.82
CC(=O)CCC#C,0.58
O=C1C(Nc2ccccc2)=C(Cl)C(=O)c2ccccc12,4.22
n1c(N(C)C)cncc1C(=O)N,0.38
CC(C)CC1=C(OC(=O)N(C)C)C=CC=C1,3.31
Brc1cc2c(cc1Br)oc1cc(Br)c(Br)cc21,6.1
OC(=O)C1CSC(=N1)c2ccc(O)cc2O,1.1
CCc1nc(c(C)[nH]1)N(=O)=O,0.76
CC1=C(N=C2NCCN2)C(Cl)=C(Cl)C=C1,2.35
CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1,2.1
NC1=NON=C1NC(=O)C,-0.23
CC1=NC=C(CO)C(\C=N\NC(=O)C2=CC=C(C=C2)N(=O)=O)=C1O,1.55
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(NC3=O)N,-1.01
CC(C)(C#N)/N=N/C(C)(C)C#N,1.1
O[C@@H]1[C@@H](CCC2=CC=CC=C2)N(CC2=CC=C(F)C(=C2)C#N)C(=O)N(CC2=CC=CC=C2)[C@@H]1CC1=CC=CC=C1,3.4965076
CCCCOC(=O)N(CCCC)SN(C)C(=O)O\N=C(\C)SC,4.2
CCCCCCCCCCCCCc1c(O)cccc1,8.61
CN(C)C(=O)Nc1cc(o[n]1)C(C)(C)C,1.98
c1ccc2nnn(CCCCO)c2c1,1.03
CN1CCN=C1Nc1[n]cc([s]1)[N+]([O-])=O,1.8
COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)[C@H]1CCCO1,2.29
CN1CC[C@@]23[C@@H]4OC5=C(O[C@@H]6O[C@@H]([C@@H](O)[C@@H](O)[C@H]6O)C(O)=O)C=CC(C[C@H]1[C@H]2C=C[C@H]4O)=C35,-1.1
C=CC#Cc1ccc([s]1)-c1ccc[s]1,5.15
NC1=NC=CC(O)=N1,-0.99
CCNC(=O)\C=C\C1=CC=C(O1)N(=O)=O,1.39
NC(=O)CCC\N=C(/C1=CC=C(Cl)C=C1)C1=C(O)C=CC(F)=C1,3.015
CCNC(=O)O[Pt](N)(N)(Cl)(Cl)OC(=O)CCC(O)=O,-1.72
COc1ccc(cc1)C3Cc2c(cccc2C(F)(F)F)N(CCN(C)C)C(=O)C3Cc4ccccc4,7.2
CCCCCCCCCCCC(=O)OCC,5.71
CC\C=C(/C)C1(CC)C(=O)NC(=O)NC1=O,1.57
CN(C)C(=O)c2cn1c(CO)c(C)nc1c3OC(CCc23)c4ccccc4,1.72
CC(C)c1cc(ccc1)S(N)(=O)=O,1.81
NC(=N)NC(=O)Nc1cc(Cl)c(Cl)cc1,2.39
COC(=O)C(NC(=O)C)CC,-0.17
CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1,5.4
[CH3:1][O:2][P:3](=[O:4])([O:5][CH3:6])[C@@H:7]([OH:8])[C:9]([Cl:10])([Cl:11])[Cl:12],0.45
CCCC(=O)CCC,2.04
[Na+].[O-][N+](=O)c1cc(ccc1)S([O-])(=O)=O,-2.61
NC1CCN(N=1)c1cc(ccc1)C(F)(F)F,2.56
COc1cc(O)ccc1O,0.47
CC(C)(C)C1=CC=C(C=C1)C(=O)C1=CN(CC(O)=O)C=C1,2.6
CCOCCOC(=O)[C@H](C)N1C=NC2=C(C3=C(C[C@@H](C)CC3)S2)C1=O,4.25
CC1=NC(N)=C2N=CN(C3OC(CO)CC3F)C2=N1,0.12
[CH3:19][C:18]([CH3:20])([CH3:21])[NH:17][CH2:16][C@@H:14]([OH:15])[CH2:13][O:12][C:11]1=[N:10][S:9][N:8]=[C:7]1[N:6]1[CH2:1][CH2:2][O:3][CH2:4][CH2:5]1,1.975
C#CCOc1cc(OC(=O)N2CC(F)(F)CC2)c(Cl)cc1Cl,3.42
[H][C@]1(OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,-3.0
c3cc(Br)ccc3O[Si]12OCCN(CCO2)CCO1,0.58
S1C=C(C(=O)NC)N=C1c2ccc(C(C)C(=O)O)cc2,2.45
CCCCCCCCOC(N)=O,2.84
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3SCC5=CC=CC=C5)N)O)OP(=O)(O1)OCC6=CC=CC=C6,1.92
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,4.16
CCOC1=CC(C=C2C(=O)N(C)C(=S)N(C)C2=O)=CC(I)=C1OCC#C,3.72
[CH3:7][CH2:6][CH2:5][C@H:4]([CH3:8])[C:2]([OH:3])=[O:1],1.8
CC12CC(=O)C3(F)C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO,1.37
C1=CC2=NN(C3CCCC3)N=C2C=C1NC(=O)c4ccc(C(F)(F)F)cc4,4.95
c1ccccc1C2=N(=O)ON=C2CO,1.64
CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1,4.103333333333333
CSc1[n]c([n]c([n]1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,4.42
CCN1C(=O)C(=O)c2c(Cl)cccc2C1=O,1.43
C1C(O)C(COC(=O)C(C)(C)C)OC1N2C(=O)NC(=O)C(I)=C2,1.34
c2ccccc2CNNC(=O)COc1ccc(Cl)cc1,2.92
CCC(CC)C(=O)NC1=CC(Cl)=CC=C1S(N)(=O)=O,2.55
CNC(=O)Oc1cc(C)c(C(C)(C)C)cc1,3.38
CCOC(=O)C(C)(C)N(CCC(C)C)S(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O,4.75
C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1,2.4
CCCCCCC1=CC=C(CCC[N+](C)(C)CCCCS([O-])(=O)=O)C=C1,1.64
c1ccc(N(=O)(=O))cc1C=CN(=O)(=O),1.82
c1cccc[n]1,0.625
COc1ccc(cc1)N(C)C,1.42
CC1=CC2=NC=CC(=O)N2C=C1,0.56
CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12,3.27
O[Pt](O)(Cl)(Cl)(NC1CCC1)NC1CCC1,-0.537
Clc1c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)cc1Cl,8.16
BrCBr,1.79
C[N+](=C1C=CC(=C2C=C(SC(=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)C=C1)C.[Cl-],1.9
CC[C@@H]([C@@H](CC1=CN=CN1C)CO)C(=O)OCC2=CC=C(C=C2)C,2.46
C=CCNc1[n]c(Cl)[n]c(NCC=C)[n]1,2.75
CCOC(=O)C1=CNC2=C(C=C(OCC(C)C)C(OCC(C)C)=C2)C1=O,2.18
COc1cccc(Br)c1,3.13
C1CCCCCCCCCCC1,4.1
N#Cc1c[nH]cc1-c1cccc(Cl)c1Cl,3.86
Cc1nc(c(C)[nH]1)N(=O)=O,0.43
Cc2ccc(OCC1CN=C(N)O1)c(C)c2,2.23
COc3ccc(CNCC(O)CON=C(C1CC1)C2CC2)c(OC)c3,2.22
Nc2ccn(C1CC(CO)C(O)C1O)c(=O)n2,-2.41
COC1=CC(=CC=C1C1=CN2CCNCC2=N1)S(C)=O,1.11
CC(C)N(N=O)C(C)C,1.505
C1CN2C(=O)C(C(=O)OCC)=CN=C2CC1C,0.66
CC1=NC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)[C@H]([C@@]4(N3C[C@H]5[C@@H]4N5)OC)COC(=O)N)C,0.59
COCCOCCOC,-0.36
OC(=O)C1=C(CN2CC(=O)N(C2=O)C2=CC=CC=C2)C2=C(Cl)C=C(Cl)C=C2N1,2.16
c1cc(N(C)C)ccc1NC(=O)NNC(=O)C,0.11
COc1ccccc1OCc2ccccc2CCCN3CCC(O)CC3,2.82
CN1N(C(=O)C(NC(=O)[C@@H]2CCCCN2S(=O)(=O)C2=CC=C(Cl)C=C2)=C1C)C1=CC=CC=C1,3.89
CCCCN1C(=O)NC(=O)C(C)=C1,0.91
CCCSCS(=O)CC(CO)NC(=O)C=CC1=C(C)NC(=O)NC1=O,-0.67
O=N\C=C1\SNN=C1,0.86
CN(C)C(N(C)C)=S(I)c1ccc(S(=O)(=O)N(C)C)cc1,-0.81
CC(=O)Nc1cc2Cc3cc(N(=O)=O)ccc3c2cc1,3.08
CCCCCCOC(=O)C(CC)C(CO)CC1=CN=CN1C,2.71
CC(=O)O[Pt]1(Cl)(Cl)(N[C@@H]2CCCC[C@H]2N1)OC(C)=O,-1.144
Oc1ccc(CCC(O)=O)cc1,1.16
CCCc1nc(nc(n1)N2CCOCC2)N(C)C,1.64
FC1=CC=C(CN=O)C=C1,2.03
s1nc(C(=NO)SCCN(CC)CC)cn1,0.74
CCOC(=O)C1=CC=C(C=C1)C#N,1.87
Fc1cccc(F)c1NS(=O)(=O)C2=NN(c3ccccc3)C(CC)=N2,3.7
O=N(=O)C1=CC=C(C=C1)N(\N=C\C1=CC=CC=C1)P(=O)(N1CC1)N1CC1,0.57
CCCCS,2.28
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,-4.3
CC(C)=C1CC[C@@H](C)CC1=O,3.08
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N=[N+]=[N-])N=[N+]=[N-])N,0.8
CCCNC(=O)CNC(=O)C=[N+]=N,-0.24
CCN1C(=O)C(=O)c2c(OC)cccc2C1=O,0.9
c1c(Cl)cc2N=C(Cc3ccc(Br)cc3)Nc2c1,5.38
O=N(=O)\C=C\C1=CC=C(O1)N(=O)=O,1.3
[NH3+][C@@H](CCCC1=CC=CC=C1)C([O-])=O,-0.36
CC1=CC(Cl)=CC=C1N=C1NCCN1,1.8
CCCCOCCCNC1=NC=NC2=C1N=CN2,2.22
C1=CC=C(C=C1)N=NC(C#N)C#N,2.67
O=C1C2=C(N=C3N1CCC3)CCCC2,0.83
CCC(C)C(N)C(=O)NC(C(C)CC)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(O)=O,-1.41
CCCCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,-0.54
CCC1=CC2=C(S1)N=C(SCC(=O)N1C[C@@]3(C)C[C@@H]1CC(C)(C)C3)N(CC=C)C2=O,6.04
C[C@@H](C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C,-1.14
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1,6.5
CS(=O)(=O)CC(=O)CN=O,-0.69
c1ccccc1CC(NC(=O)C)C(=O)OC,0.92
CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1,2.03
CC(C)(C)c1ccccc1O,3.29
OCCN1C(\C=C\C2=CC=CC=C2)=NC=C1N(=O)=O,2.25
COC1=CC(CC2(CC3=CC(OC)=CC=C3)C(=O)O[Pt]3(N[C@@H]4CCCC[C@H]4N3)OC2=O)=CC=C1,0.544
CC(=O)c1ccc(Cl)cc1,2.335
N[C@H]1CCc2ccccc2[C@H]1O,0.86
CN(N=NC1=CC=C(F)C=C1)C(C)=O,2.77
COC(=O)C(=C/C1=CC=C(I)O1)\C#N,2.85
OC(=O)c1ccccc1N2C(=O)CCC2=O,1.55
CN1C(CO)=NC=C1N(=O)=O,-0.19
O=C(CC1=CC=CC=C1)NC1=C2N=CN=C2N=CN1,1.19
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC(=O)C)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(=O)C)OC(=O)C)OC(=O)C,3.46
Nc1[n]c[n]c2c1[n]c[n]2[C@@H]1O[C@H](CO)C[C@H]1F,-0.16
C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl,5.53
NC[C@H](O)C1=CC(O)=C(O)C=C1,-1.24
CCCCC1=CC=C(CCC[N+](C)(C)CCCS([O-])(=O)=O)C=C1,0.55
c1ccc(C)cc1N(=O)=NC(#N),2.49
OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1,4.25
O=CCC1CC(C)C(=O)C=CC(O2)C2CC(C)OC(=O)CC(OC(=O)C)C(OC)C1OC3OC(C)C(O)C(N(C)C)C3O,0.3
NS(=O)(=O)c1cc(c(cc1)[N+]([O-])=O)C(F)(F)F,1.73
n1c(N)nc(N)c(Cc2cc(OC)c(C=CC)c(OCC)c2)c1,2.65
CCC1C(O)N2CCC34C(C2CC1C3O)N(C)C1=CC=CC=C41,1.81
CC(C)C(=O)C1=C(O)[C@](O)(CC=C(C)C)C(=O)C(CC=C(C)C)=C1O,2.92
CC(=O)NN,-1.58
NC1=CC=CC=C1O,0.595
CN1CCN=C(c2cc(Cl)ccc12)c1ccccc1,4.23
CCCc1ccc(cc1)S(N)(=O)=O,1.64
CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C(C)C)C(=O)NCCNC2=NOC(=N2)N)O)O[C@@H](CC3=CC=CC=C3)C(=O)N4CCC(CC4)OCOC,4.5
OC(c1ccc(N(=O)(=O))cc1)CNC(=O)C(F)(F)F,1.46
OC\C=C1\CN2CCC34C2CC1C1=CCC(=O)N(C31)C1=CC=CC=C41,1.37
[CH3:1]\[CH:2]=[CH:3]/[C:4]1=[CH:9][CH:8]=[CH:7][CH:6]=[CH:5]1,3.35
Cc1[n]c(cc(NS(=O)(=O)c2ccc(N)cc2)[n]1)OC,0.61
CN(C)C(O)=NC1=CC=CC=C1,0.98
CC1=C(Cl)C=C2NC(=O)C(=O)NC2=C1N(=O)=O,0.49
CCCCC(=O)OC(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C)c3ccccc3,2.23
CCOc3cc2ncnc(Nc1cccc(Cl)c1)c2cc3OCC,4.31
COC1=CC(C=O)=C(Cl)C(OC)=C1O,1.81
CN(C)(=O)CC(c1ccccc1)c2ccccc2,1.01
Fc1c[n]ccc1,0.77
Cc1[n]cc([n]1CCc1cc[n]cc1)[N+]([O-])=O,0.06
CC1(C)[C@H](O)[C@@]2(C)C[C@@H]1CC2,3.17
CN(C)c1cccc2c(cccc21)S(N)(=O)=O,2.01
CC(=O)Nc2nn(=O)c1ccccc1n2=O,-0.6
Oc1cccc(CO)c1,0.49
Nc1ncc(Cc2cccc(Cl)c2Cl)c(N)n1,2.81
ClC1=CC(Cl)=C(CO[C@H](CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,4.89
COc1cc(Cl)c(Cl)cc1OC,3.11
n1c(N)nc(N)c(Cc2cc(C)c(OC)c(C)c2)c1,2.19
Clc1ccc2N=C(C(C)CC)NS(=O)(=O)c2c1,2.47
C(=CCl)Cl,1.9825
CS(=O)(=O)Nc1cc(ccc1)NS(C)(=O)=O,0.07
n1nc(N(C)C)ccc1NN2C(C)=CC=C2C,2.18
CC(C)C1=CC2=C(C=C(CC3=CC=CC=C3)C2=CC=C1)S(=O)(=O)O[Na],0.21
s1c(C(#N))c(OC)c(C(#N))c1S(=O)C,2.02
Nc1ccc(Cc2cc(Cl)c(N)cc2)cc1Cl,3.91
NS(=O)(=O)c1c(N(=O)(=O))cc2NCNS(=O)(=O)c2c1,0.2
CC\C(=C\C1=CC=CC=C1)N(=O)=O,2.86
Clc1cc(Cl)c(cc1)-c1cc(Cl)c(Cl)c(Cl)c1Cl,7.373333333333334
Cc1ccc(c(C)c1)n2cc(C(O)=O)c(=O)c3cc(F)c(cc23)N4CCNCC4,0.63
Clc1ccc(CN2CCNC2=CN(=O)=O)cc1,0.99
CCCCCC1=C(N=C2C=C(O)C(=O)C3=C2C=CC=C3)C(C)=NO1,3.42
CCNc1nc(NCC)nc(SC)n1,2.67
CC(C)C1=CC=C(CO)C=C1,2.49
COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1,3.79
Oc1c(Br)cc(Br)cc1C(=O)Nc2ccc(F)cc2F,4.99
CCc1c(cc(Cc2c[n]c(N)[n]c2N)cc1OC)OC,2.72
OCC(CO)(CO)CO,-1.69
CC1=CC(=O)C(O)=C(CC)O1,1.07
NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1,1.24
[CH3:1][CH2:2][CH2:3][C@H:4]([CH3:5])[C:6]1([CH2:7][CH3:8])[C:9](=[O:10])[NH:11][C:12](=[O:13])[NH:14][C:15]1=[O:16],2.1
O=C1C=CCO1,-0.6
OCC(O)CCn1ccnc1N(=O)=O,-0.9
CC(C)N(C=NC1=NC(=O)N(C=C1)[C@H]2CC[C@H](O2)CO)C(C)C,0.72
c1ccc(C(C)(C)C)cc1OC2OC(CO)C(O)C(O)C2O,1.01
COc1ccc(cc1)NC=O,1.03
NC(=S)c1ccccc1,1.49
CCNC(C)C,0.93
N1CCNC1=Nc2ccccc2C(F)(F)F,1.42
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(N=C3Br)N,0.34
Oc1ccccc1C(=O)N(C)C,0.44
[OH:14][CH2:13][C@H:12]1[O:11][C@H:10]([CH2:17][C@H:15]1[OH:16])[N:9]1[CH:1]=[C:2]([Br:3])[C:4](=[O:5])[NH:6][C:7]1=[O:8],-0.29
CCC(=O)CC(=O)CC,1.12
[CH3:14][N:13]([C:11](=[O:12])[NH:10][C:7]([CH3:8])([CH3:9])[C:6]1=[CH:1][CH:2]=[CH:3][CH:4]=[CH:5]1)[C:15]1=[CH:20][CH:19]=[CH:18][CH:17]=[CH:16]1,3.01
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@H]3CC[C@@H](C(=O)CO)[C@@]3(C[C@@H](O)[C@@H]21)C=O,1.08
CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O,2.8
CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)OC(=O)C)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C,3.23
Nc1c[n]cc(N)[n]1,-0.45
Cc1cc(ccc1[N+]([O-])=O)C(O)=O,2.42
CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl,2.635
CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C,3.87
CCC(CC)(C(N)=O)c1cc2OCOc2cc1,1.59
COC1=C(\C=C/C(=O)OCCOC2=C(OC)C=C(C=O)C=C2)C=CC=C1,3.65
NCCCN,-1.46
CC(C)CC(N)C(=O)NC(C)=O,-0.13
COP(=O)(OC(Br)C(Cl)(Cl)Br)OC,1.38
NOS(=O)C1=CC=C(Cl)C=C1,1.15
O1CCN(C)CC1(OCC=C)c2ccccc2,2.09
CN(C)C(N(C)C)=S(I)c1ccc(C(=O)C)cc1,-0.85
OC1COC(OC)C(O)C1NC(=O)N(C)N=O,-1.08
CCC(=O)O[C@@](CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1,4.275
c1c2-c3cccc4cccc(c43)-c2cc2ccccc21,6.11
NC(=O)C=CC1=CC=C2OCOC2=C1,1.4
CC12CCC3C(CCC4CC(O)CCC34C)C1CCC2O,4.16
c1ccccc1c2ccccc2C(=O)O,2.89
NC1=CC=CC(=C1)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)C[C@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1NC(=O)OCC1=NC=CC=C1,-0.91629076
S1C(C)=C(CC)N=C1c2ccc(C(C)C(=O)O)cc2Cl,4.62
C1[C@H](O[C@H]([C@H]1F)N2C=C(C(=NC2=O)N)F)CO,-0.92
C[C@H](CC1=CC=C(F)C=C1)N(C)CC#C,3.06
ClCC1(CCl)C2C(Cl)C(Cl)C(C2Cl)\C1=C/Cl,5.35
c1cc2N(C(=O)NC)C(=O)CN=C(c3ccccc3)c2cc1N(=O)=O,1.76
CCC1(CC2=CC=CC=C2)C(=O)O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O,-0.18
CCCN(CCC)C1=CC(=N)N([C](N1)N)[O-],2.16
FC(F)(F)C1=CC=C(NC(=O)[C@H]2CCC3=CC=CC=C3O2)C=C1,4.5
COC1=CC=C(C=C1OC)[C@H]1C[C@@H](N2N=CC(C(=O)N(C)CC3=C(C)N(C)N=C3)=C2N1)C(F)(F)F,4.25
CCCCN(CCOC(C)=O)C1=CC(C)=C(C=C1)\N=N\C1=C(C=C(C=C1C#N)[N+]([O-])=O)C#N,5.5
CCCCCCC(=O)O[Pt]123(Cl)N[C@@H]4CCCC[C@H]4N1.O=C(O2)C(=O)O3,0.431
CC(C)C1C(=O)NC(=O)N1,-0.36
c1cc(Cl)ccc1Oc2c(Cl)c(Cl)ccc2,5.63
FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12,3.5
CC1=CC(OC2=CC=CC=C2)=CC=C1,4.46
CCC(=O)Nc1cc(Cl)c(Cl)cc1,3.185
N1C(=O)C2C(C3)CCC(C3)N2C(=O)C1CC(=O)NC(CC4=CN(C(=O)OCc5ccccc5)c6ccccc46)C(=O)NC(Cc7ccccc7)C(=O)N(C)Cc8ccccc8,5.66
c1cc(S(=O)(=O)N(C)C)ccc1N(C)C(=O)CCSC#N,0.84
c1cc(C=O)cc(OC)c1OCCOC(=O)c2cc(Cl)ccc2,3.67
CCC(C(=O)OCCCC=C)N(Cc1ccco1)C(=O)[n]1c[n]cc1,3.0
NS(=O)(=O)c1cc(Cl)c(cc1)SCCCO,1.59
CCOC(=O)C1CCN(CC1)C(=O)C1=CC=C(Cl)C(=C1)\N=C1\N[C@@H]2CS(=O)(=O)C[C@@H]2S1,2.96
C[C@@]12C[C@H]3C[C@@](C)(C1)C[C@](N)(C3)C2,3.28
O=COc1ccccc1,1.26
C\C=N\N(C(=O)C1=CC=CC=C1)C1=CC=CC=C1,2.76
COC1=CC=CC=C1NC1=NC(OCC(F)(F)F)=NC(OCC(F)(F)F)=N1,5.27
CN(C)\N=N\C1=CC=C(C=C1)S(C)(=O)=O,1.59
Clc1c(Oc2cc(Cl)c(Cl)cc2)c(Cl)ccc1Cl,6.31
NC(CC1=CNC2=CC=CC(F)=C12)C(O)=O,-1.07
C1CN(CCN1)C2=NC=C(C=N2)F,0.97
c1ccccc1OCC(=O)N2CCCCC2,1.81
OC(=O)COc1cccc(F)c1,1.48
CC[N+](C)(CC)C1=CC=CC=C1.[I-],-2.22
CC1(COC2=CC(=CC=C2)C2SC(=O)NC2=O)CCCCC1,4.0
C(C)(C)NNC(=O)COc1c(OC)cccc1,1.11
CNC(=O)Oc1ccc(F)cc1,1.28
CCC(C)(C)CO,1.57
c1cc(CC)ccc1C=CC(=O)C,3.26
CC(C)CC(NC(=O)CNC(=O)CN)C(O)=O,-4.7
CCCC(=CC(=O)NC(C)CC)C1=CC=C(Cl)C=C1,4.87
N[Pt]1(N)(O)(O)OC(=O)CC(=O)O1,-2.551
OC(=O)COC1=C2CCCC2=CC=C1,2.33
Cc1[n]cc([n]1C)[N+]([O-])=O,0.31
O=C1N(C(=O)c2ccccc2C1=O)c3ccccc3,1.14
CCNC(=O)NO,-0.76
COC1=C(NC(=O)\C=C\CN2CCCCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1,3.92
C[N+](C)(CCCC1=CC=CC=C1)CCCS([O-])(=O)=O,-1.57
CC1=CC=C(C=C1)C1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)N1CCSCC1,4.55
Brc1cc(ccc1)Oc1ccc(Br)c(Br)c1Br,6.05
CCOC(=O)C1=C(C)NC(C)=C([C@H]1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC,5.58
C1CC2(NC)c3ccccc3CC2CC1CN,1.84
CC1CN(CC(C)N1N=O)N=O,0.08
CC(C)NC(=O)NC1=C(C)C(C)=CC=C1,2.7
CC(C)NC1=NC(=O)N(C(C)C)C(=O)N1,0.52
CCOC(=O)C1=C(C)NC(=C(C1c2cccc3OCCOc23)C(=O)OC)C,3.57
CCOC(=O)CCNC(=O)CCCCSC1=NC=NC2=C1NC=N2,1.51
c1ccccc1CS(=O)(=O)NC(=O)N(C)C,0.54
Nc1ccc2C(=O)N(O)C(=O)c2c1,0.16
c1ccccc1C(CC)CCCCCCCC,7.53
CCCCCOC(N)=O,1.35
COc1ccc(cc1)C3Cc2ccccc2N(CCN(C)C)C(=O)C3C,4.5
C=CCN(CC=C)C1=CC(=N)N([C](N1)N)[O-],1.6
C1=CN=CN1C(=S)OC(C(C)(C)C)COc2ccc(C)cc2,4.66
[O-][n+]1ccc(Cl)cc1,-0.44
CSC1=NC2=NC(Cl)=CC=C2N1,2.39
c1c(OCC)c(OCC)ccc1NC(=O)OC(C)C#C,2.68
O=NN1CCCC1,-0.19
N[Pt]1(N)(O)(O)OC(=O)C2(CCC2)C(=O)O1,-2.252
CC(=O)Nc1ccc(I)cc1,2.585
CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(O)C=CC=C1C3(C)O,-1.3
c1cnccc1c2cnc(NCCOC(=O)CC)cc2,2.47
[CH3:1][O:2][P@:3](=[O:4])([NH:5][C:6]([CH3:7])=[O:8])[S:9][CH3:10],-0.85
COC1=C(OC)C(=O)C=CC1=O,0.34
CCCC(=O)OC(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C)c3ccccc3,1.89
CCOC(=O)CCc1ccccc1,2.73
c1cc(N(=O)=O)ccc1OCCN2C=CN=N2,1.19
c1c(CN2COCCC2)cccc1COc3ccccc3,2.75
CCCCN(CCCC)CC(=O)NC1c2ccccc2OC1,4.15
OC1=C2NC(=O)SC2=C(CCNCCCOCCSCCC2=CC=CC=C2)C=C1,1.73
CCCN(CCC1=CC=CS1)[C@H]1CCC2=C(O)C=CC=C2C1,4.7
S1C=C(C(=O)OCCC)C=C1,3.03
CC(C)=CCC\C(C)=C\CCC(C)(C)O,4.54
[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,2.33
CN(C)CCOc1cc(C)ccc1,2.05
Cc1ccc(CC2CCCC2(O)Cn3cncn3)cc1,2.71
CCC(C)OC(N)=O,0.65
Cc1[nH]c2ccccc2[n]1,1.43
CN1C(=O)Nc2n(CCOCOC)cnc2C1=N,-1.52
c1ccccc1CCOCC(O)CNC(C)(C)C,2.52
N1C(=O)N(OCC#C)C(=O)C(Br)=C1C,-0.1
OCCNC(=O)CCn1ccnc1N(=O)=O,-1.08
CS[C@@H]1[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,3.75
O=C(c(ccc(O)c1)c1)CC,2.03
O=S(=O)(NC(=S)N1CCCCC1)c2cnccc2NC3CCCCCCC3,4.5
OC[C@H](O)[C@@H](O)CO,-3.0
COC1=CC=CC(=C1)N1C(=O)C2=CC=CC=C2N=C1SCC1=CC(=O)N2C=CSC2=N1,3.56
NC1=CC=C(C=C1)C1=NC=C(N1)N(=O)=O,0.86
OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1,1.5
C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5,2.61
CCN(CC)CCSC(N=O)C1=NSN=C1,0.74
Nc1[n]c2c([n]c[n]2COCCO)c(N)[n]1,-1.06
Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1Cl,6.17
O1C(c3ccccc3)C(C)N(C)CC1(O)c2ccccc2,1.87
[CH3:17][C@@:16]12[CH2:18][CH2:19][C@H:20]3[C@H:8]([CH2:7][CH2:6][C:5]4=[CH:4][C:2](=[O:3])[CH2:1][CH2:23][C@@:21]34[CH3:22])[CH:9]1[CH2:10][CH2:11][C@:12]2([OH:13])[C:14]#[CH:15],3.11
C=CCOC1=NS(=O)(=O)c2ccccc21,1.4
c1ccccc1C(C#N)=NOP(=O)(N)OCC,0.72
Oc1ccc(C(O)=O)c(O)c1O,1.05
Cc1[n]cc([n]1CC(O)CCl)[N+]([O-])=O,0.6
O=CC=Cc1ccco1,1.15
N[Pt](Cl)(Cl)(Cl)(Cl)NC1CCCCC1,-0.2875
O=NCC1=NC(=NO1)C1=CC=CS1,2.47
[O-][N+](=O)c1cc(ccc1O)C(O)=O,1.85
CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc2ccc(O)cc2)C(O)=O,-1.5
FC(F)(F)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1,3.1
CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(O)=O,-3.05
CN(C)S(=O)(=O)NC1=CC=CC=C1,1.67
COCCCNC1=C2N=CN=C2N=CN1,0.75
CCCCN(SN(C)C(=O)O\N=C(\C)SC)C(=O)C1=CC=CC=C1,3.4
CO\N=C(/C(=O)OC)C1=CC=CC=C1COC1=CC=CC=C1C,3.4
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,8.89
C[C@@]12CC[C@@H]3[C@H](CCC4=CC(O)=CC=C34)[C@H]1CC[C@@H]2O,4.01
CC1=CC=C(O\N=C\NC2=CC(Cl)=C(OCC#C)C(Cl)=C2)C=C1,4.8
Cc1cc(Cl)ccc1N=CN(C)C,2.89
COC(=O)C(=N/NC1=CC(Cl)=C(Cl)C(Cl)=C1)\C#N,5.22
OC(=O)C(O)c1ccccc1,0.62
OC(=O)c1ccccc1NCC(=O)C,1.85
c1cc(C(#N))ccc1N=NN(C)C,2.39
COc1cc2OC(C)(C)C=Cc2c2c1C(=O)c1ccccc1N2C,3.67
[CH3:10][C:9]([CH3:11])([CH3:12])[C@@H:7]([OH:8])[C@H:6]([CH2:13][C:14]1=[CH:20][CH:19]=[C:17]([Cl:18])[CH:16]=[CH:15]1)[N:5]1[CH:1]=[N:2][CH:3]=[N:4]1,3.2
COC1=CC(CN=O)=CC=C1OCCOC(=O)COC1=CC=CC=C1,2.1
n1c(N)nc(N)c(Cc2cc(NC)c(C)c(N(C)C(=O)C)c2)c1,0.53
CCCCC(NC(Cc1ccccc1)C(=O)N2CCC(CC2)OCOC)C(=O)NC(CC3CCCCC3)C(O)CC(C(C)C)C(=O)NCCN,3.5
n1c(c2ccccc2)c(CC)ncc1c3ccccc3,4.66
CC(=C)Cl,2.0
COC1=CC=C2\C(=C\NC3=C(C)N(C)N(C3=O)C3=CC=CC=C3)C(=O)N(CC3=CC=CO3)C(=O)C2=C1,4.66
CCCCCOC(=O)\C=C\C1=CC=C(O1)N(=O)=O,3.4
[Cl-:21].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][N+:17]([CH3:18])([CH3:19])[CH3:20],3.23
CC(C)CC([NH3+])C(=O)N1CCCC1C(=O)NC(CC(C)C)C([O-])=O,-1.56
CN(C)C(=O)C13CC2CC(C3)CC(C2)C1,2.55
NCCO,-1.31
c1c(Cl)cc2N=C(CSCC)NS(=O)(=O)c2c1,2.26
[CH3:1][N:1]([CH3:1])\[N:1]=[N:1]/[CH:1]1[N:1]=[CH:1][N:1]=[C:1]1[C:1]([NH2:1])=[O:1],-0.24
[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,-1.3
COC(=O)C(=C\C1=CC=C(C)O1)\N(=O)=O,2.44
O=C1NC2=CC=CC=C2C1=O,0.83
CC[N+]1=CC=CC2=CC=CC=C12,-2.76
CC(C)C(N)C(O)=NC(CCC(O)=N)C(O)=O,-1.82
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)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,2.733333333333333
COC(=O)C(C)NP(=O)(OCC1OC(C=C1)N1C=C(C)C(=O)NC1=O)OC1=CC=C(OC)C=C1,1.09
OC1=CC=C(CCNCCCS(=O)(=O)CCOCCOC2=CC=CC=C2)C2=C1NC(=O)S2,1.13
CC[C@H](C)[C@@H](C(=O)NC)NC(=O)C,0.14
CC1=CC(=O)C(O)=C(CCC)O1,1.4
COC1=CC(OC)=NC(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)=N1,1.63
CC(=O)C([O-])=O,-1.24
COC(=O)C1C(\C=C(\C)C(=O)OC)C1(C)C,2.67
COc1ccc(CC#N)cc1,1.7
COC1=CC=C(C=C1)N(C(=O)C1CCCCC1)S(=O)(=O)C1=C2C=CC=C3C(=O)N(C)C(C=C1)=C23,5.26
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O,2.68
C[C@H](CCC1=CC=CC=C1)NCC[C@@H](O)C1=CC=C(C(N)=O)C(O)=C1,3.09
CNC(=O)Oc1ccccc1C#N,0.86
CC1=NON=C1c2ccccc2N(=O)(=O),2.21
CCOC(=O)C(=C\C1=CC2=C(OCO2)C=C1)\C(C)=O,2.35
c1ccc2nnn(C(C)CCCC)c2c1,3.44
CN(\N=N\C1=CC=C(Br)C=C1)C(=O)OCOC(C)=O,3.64
COC(=O)c1cc(S(=O)(=O)N)ccc1SCCCO,0.74
OC1=C2NC(=O)SC2=C(CCNCCCS(=O)(=O)NCCOCCC2=CC=CC(Cl)=C2)C=C1,1.92
Cc1cc2ccccc2cc1,3.9125
CCCCOc1ccccc1NC(=O)OCCN2CCCCC2,4.579999999999999
CC(=O)OC(C)(C)C2CCC1(C)CCCC(=O)C1C2,3.2
O=C1CNC(=O)C(CC2=CNC3=CC=CC=C23)N1,0.07
CC(=O)c1cc3cccc4ccc2cccc1c2c34,4.16
C1=CC(=CC=C1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,-0.39
C1CCN(CC1)C=NC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)CO)F,0.36
CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCCC1=CC=C(Cl)C=C1Cl,4.48
CCC(C)C(N)C(=O)NC(CC1=CN=CN1)C(=O)NC(C(C)C)C(O)=O,-0.24
N\N=C1\C(C(=O)C(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)C2=CC=CC=C12,3.62
c1ccc2C(=O)C=C(N(C)C)C(=O)c2c1,1.9
[O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1Cl,3.93
CC(=O)Nc1c(C)c(C)c(O)cc1,0.815
CC(=O)NC(CC1=CNc2ccccc12)C(=O)NCC(=O)NC(Cc3ccccc3)C(=O)N,0.99
CCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,4.81
CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1,2.86
NC(=O)N(CCCN(N=O)C(=O)N)N=O,-0.3
CC1(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)CCCCC1,4.0
CC1=CC(=O)C=C(C)N1C1=CC=C(C)C(C)=C1,2.95
C1(=O)C=C2C(F)CC3C4CC(C)C(OC(=O)CC)(C(=O)COC(=O)CC)C4(C)CC(O)C3(F)C2(C)C=C1Cl,4.22
n1nc(N(C)C)cc(N(C)C)c1,0.84
COC(=O)[C@@H](C)N(c1cc(Cl)c(F)cc1)C(=O)c1ccccc1,3.0
C1CC=C(C1)C2=NS(=O)(=O)C3=CC=CC=C3N2,1.69
Clc1c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c(Cl)c1Cl,8.225
Nc1nnnn1c2cccc(c2)N(=O)=O,0.67
[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC,3.5
FC1=CNC(=O)N(C(=O)C2=CC=CC=N2)C1=O,-0.06
[Na+].CCCCCCCC([O-])=O,-1.38
CCC12CCN(CC3(O)CC3)[C@H](CC3=C1C=C(O)C=C3)C2(C)C,3.82
C1(=O)NC(=O)C2(CCCCC2)C(=O)N1,0.91
CCOC(=O)\C=C(/C)\C=C\CC(C)CCCC(C)C,3.06
c1cc(Cl)ccc1N(=O)=NC(#N),2.33
c1ccccc1N=NC#N,2.3
NC(C)CCCC(=O)Nc1c(C)cccc1C,1.41
C[n]1c(N)[n]c2ccccc12,0.95
NNC(=O)c1cc[n]c(Cl)c1,0.11
CC(C)NC1=NC(=O)N=C(N)N1,1.27
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O,3.69
COCC(F)Cn1c(N(=O)=O)ncc1,0.18
[H:16][C@:11]([CH3:17])([N:10]([C:8](=[O:9])[CH2:7][C:6]1=[CH:1][CH:2]=[CH:3][CH:4]=[CH:5]1)[C:18]1=[C:24]([CH3:25])[CH:23]=[CH:22][CH:21]=[C:19]1[CH3:20])[C:12](=[O:13])[O:14][CH3:15],3.4
CCOC=C,1.04
NC(=O)NCCN1CCC2=CC=CC(Cl)=C2CC1,2.07
Clc1cccc(NC2NCCN=2)c1Cl,1.94
COCCN(CCOC)\N=N\C1=C(NC=N1)C(N)=O,0.03
Cc1cccc(C)c1N(C[n]1ccc[n]1)C(=O)CCl,2.13
COc1cc2c(Nc3cc(Br)ccc3)[n]c[n]c2cc1OC,3.49
OC(=O)C1=C(O)C=CC=N1,-1.27
COc1ccc(cc1)C3Cc2c(Cl)cccc2N(CCN(C)C)C(=O)C3OC(C)=O,4.4
c1ccccc1C2C(=O)NC(=O)N2,0.46
[O-][N+](=O)c1ccc(Cl)cc1,2.37
[O-][N+](=O)O[Pt](NC1CCCCC1)(NC1CCCCC1)O[N+]([O-])=O,-0.91
O[C@H](CNC[C@@H](O)[C@H]1CCC2=C(O1)C=CC(F)=C2)[C@H]1CCC2=C(O1)C=CC(F)=C2,4.04
COc1ccc(c[n]1)[N+]([O-])=O,1.55
CC1=CN(C2CC(N=N#N)C(COC(=O)CCNC(=O)C3(CC4CC5CC(C4)C3)C5)O2)C(=O)NC1=O,2.14
OCc1cc(ccc1)C(F)(F)F,2.24
CCCN=C(N)/N=C(\N)/NC1=CC=C(C=C1)Cl,2.63
[Cl-].CC(C)(C)N1C=C[N+](CCCCC#C)=C1\C=N\O,-1.42
Cc1ccc(cc1)C(N)=S,2.01
CN\C(NCCSCC1=C(C)NC=N1)=N\C#N,0.4
CCOP(=S)(Oc1c[n]c2ccccc2[n]1)OCC,4.44
OC1=C2NC(=O)SC2=C(CCNCCS(=O)(=O)CCCOCCC2=CC=C(F)C=C2)C=C1,2.67
CCOC(=O)CCCn1cc(nc1C)N(=O)=O,0.58
CCOC(=O)C(=O)OCC,0.56
COC(=O)Nc1ccc(cc1)[N+]([O-])=O,2.12
CC(=NNC(=S)NNC(=S)Nc1ccccc1Cl)c2ccccn2,2.67
COC1=CC=C(OCI)C(CN(C(C)=O)C2=CC(F)=CC=C2OC2=CC=CC=C2)=C1,4.02
O[C@@]12CCCC[C@@H]1CCC(=O)O2,1.16
N#CC(=Cc1ccccc1)C#N,2.1500000000000004
OC1OC(=O)C(Cl)=C1C(Cl)Cl,1.13
O=C1Nc2ccccc2C1c1ccccc1,2.59
CCCCCCO,2.03
CCOP(=O)(OCC)SCC[N+](C)(C)C,-2.25
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.09
Cc2nc1ccccc1c(=O)n2CC(O)=O,0.38
CC1=NN=C(C(=O)N1N)c1ccccc1,0.83
CC[C@H]([C@@H](C)CN(C)C)C1=CC(O)=CC=C1,2.87
Cc1[nH]c[n]c1CSCCN/C(/NC)=N/C#N,0.44
Clc1ccc2ccccc2c1Cl,4.54
OC(=O)c4cn(c1ccc(O)cc1)c3cc(N2CCNCC2)c(F)cc3c4=O,-0.04
[CH3:4][O:3][C:2](=[O:1])[C:5]1=[CH:15][C:10](=[CH:9][C:7]([NH2:8])=[CH:6]1)[C:11](=[O:12])[O:13][CH3:14],4.73
NC(=O)c1c(Cl)cccc1Br,1.0
c1ccccc1OCC(O)CNCC(O)COc2ccccc2,2.52
NNC(=O)NC1=CC(O)=CC=C1,-0.5
Cc1cccc(c1)N2CCN(CC2)CC3CN=C(N)O3,1.46
CCCCCCCCCCCCOS(O)(=O)=O,1.6
C1N=C(N)OC1CN(C2)CCN(C2)c3ccc(OC)cc3,0.68
COc1ccc(S(=O)(=O)N)cc1C(=O)NCC2CCCN2CCC,2.16
Cc1ccccc1Nc2ccncc2S(=O)(=O)NC(=O)NC3CCCCC3,4.35
CC(=O)c1ccccc1O,1.92
COC1=CC=C(C=C1)N1N=C(C(N)=O)C2=C1C(=O)N(CC2)C1=CC=C(C=C1)N1CCCCC1=O,2.71
CC(OCC1=CN(C)C(CN=O)=N1)C(C)(C)C,2.53
[H:17][C@@:15]1([OH:16])[CH2:18][CH2:19][C@:20]2([H:21])[C@:22]3([H:23])[CH2:24][CH2:25][C@H:26]4[CH2:1][C@:2]([H:4])([OH:3])[CH2:5][CH2:6][C@@:7]4([CH3:8])[C@:9]3([H:10])[CH2:11][CH2:12][C@:13]12[CH3:14],4.16
NC(=O)CF,-1.05
OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O,1.14
O=C1CC(N1)Sc2nc3ccccc3s2,2.3
CC(=O)CN=O,0.34
OS(=O)(=O)C1=CC(=CC=C1)[N+]([O-])=O,-2.61
C1=CN=CN1C(=O)OC(C(C)(C)C)COc2ccc(c3ccccc3)cc2,4.56
CC1=NC(Cl)=C(N1)N(=O)=O,1.06
c1cc(CN2CCCCC2)ccc1C(=O)Nc3c(C)cccc3C,3.86
CCCCC(CC)C(O)=O,2.64
c1c(Cl)c(Cl)ccc1C(O)CNC(C)C,3.32
c1cc2N=NN(C(CCC)C(=O)N)c2cc1,1.38
Clc1c(N(=O)(=O))cc2N=C(C)NS(=O)(=O)c2c1,1.42
CC(C)(C)C(O)=O,1.48
COC1=CC2=NC(=NC(N)=C2C=C1OC)N1CCN(CC1)C(=O)[C@@H]1CCCO1,2.29
ClC1=CC=CC(Cl)=C1CN1C=CC(NC2=NN=C(CC3=CC=C(C=C3)N3C=NN=N3)S2)=N1,4.99
Cc1ccc(Br)cc1F,3.64
OC(=O)CCCCCON=C(c1cccc(c1)C(F)(F)F)c2cnccn2,3.52
NC1=NC2=CC(=CC=C2N1)C#N,1.13
Nc1ccc2C(CCCC)OC(=O)c2c1,2.86
CCC(C)C(NC(=O)CNC(=O)C(C)NC(=O)CNC(=O)C(N)Cc1ccccc1)C(O)=O,-1.87
CCNC(=O)C(\NC(=O)C1=CC=CC=C1)=C\C1=CN(N=C1C1=CC=CS1)C1=CC=CC=C1,4.64
n1c(N)nc2ncc(CNc3cc(C)ccc3C)c(C)c2c1N,2.29
CCC(=O)N1C2=C(C=N1)C(=O)NC=N2,0.3
CC1=NNC(C(=O)N2CCCCC2)=C1N(=O)=O,0.79
c1cccc(C(=O)N)c1OCc2ccc(N(=O)=O)cc2,1.73
COC1CC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(CCC43O)C3=CC(=O)OC3)C2)OC(C)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1,1.75
C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,6.0
COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2,2.7
CCCCC1(CC)C(=O)NC(=O)NC1=O,1.7333333333333334
Clc1c(Cl)cc(cc1Cl)-c1cc(Cl)c(Cl)cc1Cl,7.385
Nc1nc(N)ncc1Cc2cc(OC)c(OCc3ccccc3)c(OCc4ccccc4)c2,4.09
COc1[n]ccc[n]1,0.23
CN1N=NN=C1SCC1=C(N2C(SC1)C(NC(=O)CC1=CC=CS1)C2=O)C(O)=O,0.0
COC1=CC=C(C=C1)[C@@H]1[C@H](C(=O)N2CCCCCC2)C2=CC=CC=C2C(=O)N1CC1=CC=C(F)C=C1,5.01
COC1=C(OC)C(=O)C(OC)=C(OC)C1=O,0.41
CC1=NC(=O)C(C#N)=C(NCC2=CN=CC=C2)N1,0.29
O[C@@H]1[C@H]2C(CC3=CC=CC=C3)N2C(=O)N(CC2=CC=CC=C2)[C@@H]1CC1=CC=CC=C1,4.39
Nc1[n]c([n]c(N)[n]1)-c1ccccc1Cl,1.19
[CH3:1][N:1]([CH3:1])\[N:1]=[N:1]/[C:1]1=[C:1]([N:1]=[CH:1][NH:1]1)[C:1]([NH2:1])=[O:1],-0.24
COC(C)C(O)(C(=O)OCC1=CCN2CCC(OC(=O)C(\C)=C\C)C12)C(C)(C)O,1.28
CCCSC(N=O)C(=O)C1=CC=C(Br)C=C1,3.38
CCN1CC(OC1=O)C(O)C(CC1CCCCC1)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC1=CC=C(OC)C=C1)NC(=O)N(C)CCOCOC,2.3
[OH:14][C@H:13]1[CH2:12][CH2:11][C@H:10]([CH2:16][CH2:15]1)[NH:9][C:7](=[O:8])[N:1]([CH2:4][CH2:5][Cl:6])[N:2]=[O:3],1.0
CN(OC)C(=O)Nc1ccc(C(C)C)cc1,2.95
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(O)=O,-1.56
C1(=O)NC(=O)N(C(=O)N(C)C)C=C1F,-0.37
FC(F)(F)c1[nH]c2cc(Cl)ccc2[n]1,3.39
Oc1cc(C(C)(C)CCCCCCC)ccc1C2CC(O)CCC2,7.18
CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CC1=CC=CC=C1)C2=O)C(O)=O,0.2
O[C@@H](C[C@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC=C1NC(=O)OCC1=NC=CC=C1)[C@H](CC1=CC=CC=C1)NC(=O)O[C@@H]1CCOC1,-3.2188759
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OCC)C=CC2=CC=CC=C12)C(O)=O,3.3
O=C1C=CC(=O)NN1,-0.7925
N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O,-0.63
CC(C)OC(=O)c1cc(OC(=O)N2CCCC2)c(F)cc1Cl,4.22
Oc1c(Br)oc(CBr)cc1=O,1.27
N1(C)C(C)(C)CNC1=NC2=NC=C(N(=O)=O)S2,2.35
c1cc(c2ccncc2)ccc1C(O)(c3ccc(F)cc3)CN4C=NC=C4,2.47
CCNC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,2.07
N1C(=O)NC(=O)C(C(C)(C)C)C1=O,0.28
OCCCCCCNC1=NC=NC2=C1N=CN2,1.14
CCCCCC(CCCCC)c1ccccc1,7.45
c1(OC(=O)C)ccccc1C(=O)OCS(=O)C,0.11
CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F,3.8
OC[C@@H]1O[C@](CO)(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O,-3.7
BrC1=CC=C(CON2[C@H]3CCCC[C@@H]3N(OCC3=CC=C(Br)C=C3)C(=O)C2=O)C=C1,5.49
Cc1c2ccccc2cc2ccccc21,5.1045
NC(=O)N=N(=O)c1ccccc1,0.58
C(SSC1=NC=CN1)C1=CC=CC=C1,3.05
CN(C)C=C1S\C(=N/S(=O)(=O)C2=CC=C(C)C=C2)N(C2CCCCC2)C1=O,4.75
N=[N+]=NC1=CC=CC=C1,2.59
CCCCC1=C(CC(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=CC=CC=C2O1,7.8
CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O,-0.56
CC(C)=C[C@@H]1[C@@H](C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C,4.7
OC(=O)CC1=NN(Cc2[n]c3cc(ccc3[s]2)C(F)(F)F)C(=O)c2ccccc12,2.37
c1cc(I)oc1C=C(N(=O)(=O))C(=O)OC,3.0
CC(=O)OC1CCC(CC1)C(C)(C)C,4.8
CCCCCC(=O)O[Pt]12(N[C@@H]3CCCC[C@H]3N1)(OC(=O)CCCCC)OC(=O)C(=O)O2,2.0
OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(cc32)C(F)(F)F)CC1,4.423333333333333
c1cc(N)ccc1C(O)C(CO)NC(=O)C(Cl)Cl,-0.29
CCCCCF,2.33
CCSCCOC(=O)C1=C(C)NC2=C([C@H]1C1=CC=C3OCOC3=C1)C(=O)C[C@H](C2)C1=CC=CS1,5.0
Cc1ccc(c(F)c1)n2cc(C(O)=O)c(=O)c3cc(F)c(cc23)N4CCNCC4,1.01
CN(C)C(=O)Cc1ccccc1,1.48
CC(C)OP(=O)OC(C)C,0.45
[H][C@]12C=C[C@H](O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4OC,1.24
CC(C)CCNC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,3.74
N#Cc1ccc[s]1,1.27
OC(=O)C1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,3.0
c1ccccc1NC(C(C)C)C(=O)OCc2ccccc2,4.41
CS\C(C)=N/OC(=O)N(C)SN(C)C(=O)C1=CC=CC=C1,2.2
COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl,4.505
[I-].CCCCCCCCCC[N+](C)(C)C,-0.16
CC(=O)Cc1ccccc1,1.44
CC(C)(C)OC1=CC=CC2=CC=CC=C12,5.24
Nc1ccccc1[N+]([O-])=O,1.85
C=CCSc1ccccc1,3.51
CC1=C(NS(=O)(=O)C2=CC=C(N)C=C2)C=CC(Cl)=C1,2.65
Cc1ccc(CC)cc1,3.63
Ic3ccc(CN1CC(=NC1=O)N2CCOCC2)cc3,1.7
[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1,3.44
COc1ccc(Br)cc1CNC2CCCNC2c3ccccc3,4.2
NC(=O)C(Cl)Cl,0.19
COC1=C(Cl)C=CC(Cl)=C1C(=O)NC1=CC=C(C)C=C1C,4.0
CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C)C(=O)NC(Cc1ccccc1)C(=O)N,0.43
CNC(=O)Oc1cc(C)cc(C(C)(C)C)c1,3.35
CCOP(=O)(NC)O\N=C(/C#N)C1=CC=C(Cl)C=C1,2.5
CCOC(=O)CC(CN)C1=CC=C(Cl)C=C1,0.77
c1ccc2C(=O)C=CC(=NO)c2c1,2.27
c1cc2NC(=O)CN=C(c3ccccc3)c2cc1C,2.62
[Cl-].CCC(OC[N+]1=C(\C=N\O)N(CC)C=C1)C(C)(C)N(=O)=O,-1.09