C[C@@H](C(=O)[O-])[NH+](CCCl)CCCl	0
C=CCN1C(=O)[C@@H](CC(C)C)NC1=S	0
O[C@@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@H]1O)[C@H]23)OCO5	0
Nc1ccc2c(c1)C(=O)N[C@H](CCCl)O2	0
Cc1c(NC(=O)[C@H](C)N(C)C)c(=O)n(-c2ccccc2)n1C	0
C1=CN2C[C@@H](c3ccccc3)N=C2S1	0
Cc1ccc(SC[C@H](S)CS)cc1	0
[NH3+]C[C@H](CC(=O)[O-])c1ccc(Cl)cc1	0
O=C(c1ccccc1)[C@@H](O)c1ccccc1	0
C=CCC1=C(C)[C@@H](OC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O	0
C#C[C@H](OC(N)=O)c1ccccc1	0
CN1C(=O)CCS(=O)(=O)[C@H]1c1ccc(Cl)cc1	0
OC[C@@H](O)COc1ccc(Cl)cc1	0
C[C@H]1C[C@@H](OC(=O)[C@@H](C)O)CC(C)(C)C1	0
O[C@]1(c2cccc(Cl)c2)C2=NCCCN2c2ccccc21	0
CC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n1ccnc1	0
Cc1c(Cl)cccc1Nc1ncccc1C(=O)OC[C@H](O)CO	0
O[C@H](c1ccc(Cl)cc1)c1cc2ccccc2o1	0
COc1c2c(cc3c1[C@@H](O)N(C)CC3)OCO2	0
Cc1nc2ccccc2c(=O)n1C[C@H](O)CO	0
C[C@H]1Oc2ccc(Cl)cc2N(C[C@H](O)CO)C1=O	0
O=C1[C@H](O)N=C(c2ccccc2F)c2cc(Cl)ccc2N1CCO	0
C#C[C@@](O)(/C=C/Cl)CC	0
CCN=C1Nc2ccc(Cl)cc2[C@](C)(c2ccccc2)O1	0
O=C1[C@@H](N2CCCCC2)CCN1c1ccccc1	0
[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)[O-]	0
O=C1CO[C@H](c2ccc(C(F)(F)F)cc2)CN1	0
[NH3+][C@H](C(=O)[O-])c1ccc(C=O)c(O)c1	0
C[C@@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1	0
C=C(C)C(=O)OC[C@@H]1CO1	0
CCOc1ccccc1OC[C@H](O)CO	0
C[C@@H]1C[C@H](OC(=O)c2ccccc2O)CC(C)(C)C1	0
CC[C@](Br)(C(N)=O)C(C)C	0
CC(C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)[C@H](C)O	0
CC(C)NC(=O)c1no[n+]([O-])c1C(=O)NC(C)C	0
Cc1cc([O-])c2c(=O)c3ccoc3c(OC[C@H](O)C[NH2+]C(C)C)c-2o1	0
C[C@@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	0
CCO[C@@H](C)C(=O)C(O)O	0
Nc1ccc(C(=O)OC[C@H](O)CO)cc1	0
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@H]1O	0
CN1C(=O)[C@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21	0
CNC(=S)[C@@]1(c2cccc(C)n2)CCCS1	0
Cc1cc(C)c(OC[C@H](O)CO)c(C)c1	0
O[C@]1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21	0
Cc1ccccc1OC[C@H](O)CO	0
CC(C)(O)[C@](C)(O)c1cccc(Cl)c1	0
Cc1cc(C)cc(OC[C@H]2CNC(=O)O2)c1	0
Cc1nc2c(=O)n(C)c(=O)n(C[C@H]3CC=CCC3)c2[nH]1	0
C[C@H]1CC(=O)NN=C1c1cc(-n2ccnc2)cs1	0
C[C@H](c1ccc(Cl)c(Cl)c1)n1[nH]c(N)cc1=O	0
CC(C)[C@H](OC(=O)c1cccnc1)c1ccc(Cl)cc1	0
CSC[C@@H]1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)O1	0
C[C@@H]1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1	0
C[C@@H]1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1	0
CC[C@]1(c2ccccc2)NC(=O)NC1=O	0
O=[N+]([O-])c1cccc([C@@H]2CN3CCSC3=N2)c1	0
O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1	0
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(C)O	0
O=C1N=C2SCCN2C(=O)[C@H]1Cc1ccc(Cl)cc1	0
C[C@H]1CC(=O)N2CCSC2=N1	0
CCC[C@H]1O[C@]1(CC)C(N)=O	0
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1O	0
Nc1cc(OCC2CC2)c(C(=O)N[C@H]2CN3CCC2CC3)cc1Cl	0
NC1=NC(=O)[C@H](c2ccccc2)O1	0
CC(C)(O)[C@](C)(O)c1ccc(Cl)cc1	0
CC(C)[NH2+][C@@H](C)C(=O)c1ccc([O-])c(O)c1	0
CNC(=S)[C@@]1(c2ccccn2)CCCS1	0
CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1	0
C[C@@H]1C[C@H](OC(=O)CN2CCCC2=O)CC(C)(C)C1	0
CC(=O)Oc1cc(C)cc2c1C1=C(CC[C@H](C)C1)C(C)(C)O2	0
Cc1cc(C[C@@H](C)CC(C)(C)C)n(O)c(=O)c1	0
CC(C)C1(C(C)C)OC[C@H](CO)O1	0
CC[C@H]1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1	0
C[C@]([NH3+])(Cc1ccc(O)cc1)C(=O)[O-]	0
CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]2(C)C=CC1=O	0
Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O	0
CC(C)[NH2+]C[C@@H](O)c1ccc(O)c([N-]S(C)(=O)=O)c1	0
CN1C(=O)[C@H](O)N=C(c2ccccc2)c2cc(Cl)ccc21	0
C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)[C@H]2[C@H](O[C@@]3(C)O)[C@@]2(C)C(=O)C=C[C@H]12	0
CNc1c2c(nn1C)CCCC2	0
S=C1NCC[C@@H](COc2ccccc2)O1	0
O=[S@](Cc1ccccn1)c1nc2ccccc2[nH]1	0
CC[C@@]1(c2ccccc2)CNC(=S)c2ccccc21	0
C/N=C1\SC[C@](O)(c2ccc(Cl)c(S(N)(=O)=O)c2)N1C	0
CC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)n1cncn1	0
CC[C@H](C(N)=O)[C@H](C)CC	0
C=CC[C@@]1(C(=O)NC(N)=O)C[C@@H](C)OC1=O	0
CC[C@@H](C)Cn1c(=O)n(C)c(=O)c2nc(C)[nH]c21	0
O[C@H]1C[C@@H]2CCCN3CCc4c(n1c1ccccc41)[C@@H]23	0
CC(=O)N(c1cc(C)on1)S(=O)(=O)c1ccc(N)cc1	0
CC1(C)C(=O)Nc2cc3nc(-c4ccncc4)[nH]c3cc21	0
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@H]12	0
CC(C)/C=c1\[nH]c(=O)/c(=C\c2ccccc2)[nH]c1=O	0
C[C@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)C(=O)CC[C@H]3[C@H]12	0
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2	0
CN(C)c1nc(N(C)C)nc(N(C)C)n1	0
Nc1ncnc(Nc2ccccc2)n1	0
C=CCn1c(N)cc(=O)n(CC)c1=O	0
C=C(C)Cn1c(N)cc(=O)n(C)c1=O	0
C[N+](C)([O-])CCOC(c1ccccc1)c1ccccc1	0
Nc1cccc(-n2ccccc2=O)c1	0
Nc1nc(N)c2c(-c3ccccc3)nc(N)nc2n1	0
O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1O	0
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1	0
CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	0
CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C	0
C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@]43C)[C@@H]1CCC2=O	0
Nc1ncnc2c1ncn2Cc1c(F)cccc1Cl	0
Nc1ccc(S(=O)(=O)N2CC3CCC(CC3)C2)cc1	0
Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1	0
CN1CCC(=C2c3ccccc3Oc3ncccc32)CC1	0
CN1C(=N)N(c2ccccc2)CC1=O	0
Cc1cc(Cc2cnc(N)nc2N)c2cccnc2c1N(C)C	0
C[N+](C)([O-])CC/C=C1\c2ccccc2C=Cc2c(Cl)cccc21	0
NS(=O)(=O)c1ccc(NCc2ccccc2)cc1	0
CC1(C)C=C(n2ccccc2=O)c2cc(C#N)ccc2O1	0
CC(C)CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C=CBr	0
NOCc1ccc(Br)c(O)c1	0
O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1	0
O=c1[nH]c2cc(Cl)c(Br)cc2o1	0
Cc1cc(O)c(C(C)C)cc1Br	0
Cc1ccc2c(Br)cc(Br)c(O)c2n1	0
Cc1nc2ncnn2c2c1CCN2C(C)(C)C	0
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	0
CCC(Br)(CC)C(=O)NC(N)=O	0
COC(=O)Nc1cc(N2CC=CCC2)nc2nc(=O)on12	0
O=c1[nH]c(=O)c2ccccc2o1	0
COC1=CC(=O)O[C@H](/C=C/c2ccccc2)C1	0
Nn1cnc2cc3ccccc3cc2c1=O	0
Nc1ncnc(Nc2ccc(Cl)cc2)n1	0
Oc1ccc(Cl)c2c1CCC2	0
Cc1cc(O)ccc1Cl	0
Cc1cc(O)c(C(C)C)cc1Cl	0
Oc1c(Cl)cc(Cl)c2cccnc12	0
Cc1cc(O)cc(C)c1Cl	0
CC(=O)Nn1cnc(=O)c(C#N)c1	0
Cc1cc(O)c(C2CCCCC2)c(C)c1I	0
Cc1cc(C2CCCCC2)n(O)c(=O)c1	0
CN1C(=N)N(c2ccc(Cl)cc2)CC1=O	0
Clc1nc(-n2ccnc2)c2ccccc2c1-c1ccccc1	0
O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1O	0
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1	0
NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O	0
CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl	0
O=c1oc(-c2ccccc2)nn1SC(Cl)(Cl)Cl	0
Oc1ccc(Cl)c2cccnc12	0
CN1C(=O)CC[C@@H]1c1cccnc1	0
O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12	0
CCc1c(O)c(=O)ccn1CC	0
CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O	0
Cc1ccc(/N=c2\sccn2C)c(C)c1	0
Cc1cc2nc(N)nc(N)n2n1	0
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@]21C	0
Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1	0
CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N)CC1	0
C[C@@]12CCC3=C(CCc4cc(O)ccc43)[C@H]1CCC2=O	0
CC(=O)Nc1c2sscc-2[nH]c1=O	0
Cc1ncc(CO)c(C)c1O	0
Cc1ccc(S(=O)(=O)N(Cl)Cl)cc1	0
Cc1cc(O)c(Cl)c(C)c1Cl	0
C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1	0
CCN(CC)C(=O)N1CCN(C)CC1	0
CCN(CC)C(=S)SC	0
CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1	0
O=CNc1ccc(S(=O)(=O)c2ccc(NC=O)cc2)cc1	0
C/C(=C(/C)c1ccc(O)cc1)c1ccc(O)cc1	0
CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1	0
Nc1ccc(C(=O)Nc2ccccc2N)cc1	0
CCCN(CCC)S(=O)(=O)c1ccc(C)cc1	0
Cc1ccc(O)c(-n2nc3ccccc3n2)c1	0
CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc(Cl)cc1	0
C/C=C(/CC)C(=O)NC(N)=O	0
CCOc1c(N2CCOCC2)cnn(C)c1=O	0
CCC(C)(CC)OC(N)=O	0
Cn1cc(CCN2CCN(c3ccccc3Cl)CC2)cn1	0
C[C@@]12CCc3c(ccc4cc(O)ccc34)[C@H]1CCC2=O	0
CNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)O[C@H]1N2C	0
Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2	0
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC2=O	0
CCc1ccccc1-n1c(C)nc2ccccc2c1=O	0
C#CC1(OC(N)=O)CCCCC1	0
CCNc1nsc2ccccc12	0
CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl	0
Cc1c(O)c(C)c2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2	0
Oc1ccccc1-c1nnco1	0
CN1CC(=O)NC1=NC(=O)Nc1cccc(Cl)c1	0
COP(=S)(OC)Oc1ccc(SC)c(C)c1	0
Cn1nc(-c2cccnc2)nc1-c1ccccc1CO	0
CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1	0
Cn1c(=O)ccc2cc(C(F)(F)F)ccc21	0
CN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21	0
COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1	0
CCS(=O)(=O)c1ccc(F)cc1	0
O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CC1CC1	0
NNC(=O)C=P(O)(c1ccccc1)c1ccccc1	0
Nc1nc(N)c2nc(-c3ccco3)c(N)nc2n1	0
NC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)c1ccco1	0
Cc1ccc(S(=O)(=O)N=C([O-])NC2CCCCCCC2)cc1	-1
C#CCC1(OC(N)=O)CCCCC1	0
CCc1nncn1C1CCCCC1	0
C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1	0
O=C1CCC(c2ccc(-n3ccnc3)cc2)=NN1	0
C[N+](C)([O-])CCCN1c2ccccc2CCc2ccccc21	0
Cc1cc(O)c(C(C)C)cc1I	0
CC(C)c1ncc([N+](=O)[O-])n1C	0
CSc1c(Cl)nc(NC(C)C)nc1N1CCN(C)CC1	0
Cc1cccc(C)c1NC(=O)c1ccc[nH]c1=O	0
c1coc(CNc2ncnc3nc[nH]c23)c1	0
Cc1cccc(Nc2cc(Cl)nc(N(C)C)n2)c1C	0
Cc1[nH]cnc1-c1ccc(Cl)cc1	0
Clc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)nn1	0
Clc1ccc(-c2nc3c4ccccc4ccn3n2)cc1	0
C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1	0
CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1	0
CO[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1	0
Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl	0
[NH3+][C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)[O-]	0
CC1=CC(=O)c2ccccc2C1=O	0
Cc1cc(CCN2CCN(c3cccc(Cl)c3)CC2)n[nH]1	0
Cc1ccc2c(c1)Sc1ccc(C)cc1S2	0
Cc1cc(N)c(=O)n(-c2ccccc2)n1	0
Cc1coc2ccccc2c1=O	0
Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2	0
Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1	0
CN(C)c1ccc(-c2nc(=O)n(C)nc2-c2ccc(N(C)C)cc2)cc1	0
CC(C)(C(=O)c1cccnc1)c1cccnc1	0
CNc1nc(Cl)c(SC)c(N2CCN(C)CC2)n1	0
Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]	0
CC(C)N1CCNC1=S	0
O=C1c2ccccc2C(=O)c2c1cn1c2Cc2ccccc2C1	0
Cc1nccnc1N1CCCCC1	0
O=c1c2ccccc2nnn1N1CCOCC1	0
Cc1ccc(C)n1Nc1ccc(N2CCOCC2)nn1	0
Cc1cc(-c2ccc(O)cc2)nnc1NCCN1CCOCC1	0
c1ccc2cc([C@@]34CNC[C@@H](CO3)O4)ccc2c1	0
O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21	0
O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1	0
O=[N+]([O-])c1ccc(-c2nc(N(CCO)CCO)c3ccccc3n2)o1	0
N#CCn1cc(N)n(-c2ccc(Cl)cc2)c1=O	0
Cc1cc(Cl)ccc1N=C1SCS1	0
N=C(N)c1ccc(-c2ccccc2[N+](=O)[O-])o1	0
CCn1c(=O)c2ccccc2n(-c2cccc([N+](=O)[O-])c2)c1=O	0
C#C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C	0
C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C	0
Cc1c(-c2cnccn2)ssc1=S	0
O=C1c2ccccc2C(=O)C1(CO)c1ccccc1	0
O=C(Nc1ccc(O)cc1)c1ccccc1O	0
[NH3+][C@H](C(=O)[O-])C1CCC(O)CC1	0
C=CC[N+]([O-])(CC=C)c1nc(N)nc(N)n1	0
Cc1ncc([N+](=O)[O-])n1CCc1ccncc1	0
CNc1nc(N(C)C)nc(N(C)C)n1	0
OCC1(CO)COC(C(Cl)(Cl)Cl)OC1	0
O=C1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1	0
O=C1C(c2ccccc2)=C(O)c2ccccc21	0
Clc1ccccc1-c1nc(-c2ccncc2)no1	0
Cc1ccc(=O)n(-c2ccccc2)c1	0
Cn1c([N+](=O)[O-])cnc1CSc1ccccn1	0
CN1CCC(=C2c3ccccc3CCc3sccc32)CC1	0
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1	0
CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C	0
CCOC(=O)/C(=C/c1ncc([N+](=O)[O-])n1C)C(C)=O	0
Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1	0
c1ccc2oc(-c3ccncc3)cc2c1	0
Nc1ccc(S(=O)(=O)c2ccc(N)cn2)cc1	0
O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl	0
Cc1nc(NCc2ccccc2)c2cc[nH]c2n1	0
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1O	0
Cc1c(NC(=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C	0
O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1	0
C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)O	0
c1ccc2c(c1)ncc1ncnnc12	0
CN1C(=S)CN=C(c2ccccc2)c2cc(Cl)ccc21	0
Cc1nc(C)c(Cl)c(NS(=O)(=O)c2ccc(N)cc2)n1	0
CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O	0
CCn1nccc1NS(=O)(=O)c1ccc(N)cc1	0
COc1cc(OC)nc(NS(=O)(=O)c2ccc(N)cc2)n1	0
Nc1ccc(S(N)(=O)=O)cc1	0
Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1	0
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)n(-c2ccccc2)n1	0
CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1	0
CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1	0
CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC	0
CCS(=O)(=O)C(C)(C)S(=O)(=O)CC	0
NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1	0
CC(C)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O	0
CN1CCN(c2nc(C(C)(C)C)cs2)CC1	0
O=C1/C(=C\c2cccs2)CCC/C1=C/c1cccs1	0
CC1(O)CCC(C(C)(C)O)CC1	0
CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	0
CN1C(=O)CN=C(C2=CCCCC2)c2cc(Cl)ccc21	0
Cc1ncc(Cn2c(C)c(CCO)sc2=O)c(N)n1	0
O=[N+]([O-])c1ccc(C=NN2CCNC2=S)o1	0
O=c1[nH]sc2cc(Cl)ccc12	0
Cc1cc(Br)c(O)c2ncccc12	0
Cc1ccc(O)c2ncccc12	0
COc1c2occc2c(OC)c2c(=O)cc(CSC)oc12	0
O=c1oc2cc(O)ccc2s1	0
CCN(CC)c1cc(C)nc2ncnn12	0
CC(C)=CCn1cnc(N)c2ncnc1-2	0
Cc1nc(C)c(N(C)C)nc1C	0
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2	0
O=C(Nc1ccc(O)cc1)C(Cl)(Cl)Cl	0
Oc1cc(Cl)c(Cl)cc1Cl	0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C(F)(F)F	0
Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1	0
C=CCC(CC)(CC)C(N)=O	0
CCCC(CCC)(CCC)C(N)=O	0
CCCC(CCC)C(N)=O	0
C[C@H]1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)C(=O)C=C[C@](C)(O)[C@H]21	0
Cc1cccc(C)c1NC1=NCCCS1	0
CC1(C)CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1	0
O=C(OCCn1ccnc1)c1ccccc1	0
Cc1cc(N2CCCCC2)nn2cnnc12	0
Cc1nn(C)c2c1C(c1ccccc1F)=NCC(=O)N2C	0
CS(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1	0
CC(C)(C)c1cc(C[C@@H]2SCNC2=O)cc(C(C)(C)C)c1O	0
Cc1ncc2c(c1O)CO[C@@H]2c1ccc(Cl)cc1	0
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@H]3CC[C@]21C	0
Cc1nc(F)c(CO)c(C=O)c1O	0
CCO[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1	0
NS(=O)(=O)c1cc2ccncc2s1	0
CNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21	0
CN(C)C(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)nc2cccnc21	0
C1=C(c2nc(C3CC3)no2)C[NH2+]CC1	1
C[C@@H]1C(=O)Nc2cc3n[nH]nc3cc21	0
Cn1c(=O)[nH]c2cc3n[nH]nc3cc21	0
Cc1ccc2ccc(N(C)C)cc2n1	0
Cc1cnc2cc(N(C)C)ccc2c1	0
NS(=O)(=O)c1cc2ncccc2s1	0
NC(=O)[C@@H]1C[C@@]2(NC(=O)NC2=O)c2cc(F)ccc2O1	0
Cc1nc([C@H]2CN3CCC2CC3)no1	0
CN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3	0
c1ccc2c3c(cnc2c1)OCCN3	0
Nc1nc2c(ncn2[C@@H]2CC[C@H](CO)C2)c(=O)[nH]1	0
Cc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1	0
Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1	0
Cc1nc2c(OCc3ccccc3)cccn2c1CC#N	0
CC[C@@]1(C)OCC(C)(C)N1O	0
CC1(C)CCCC(C)(C)N1O	0
O=C1CN2[C@H]3CC(O)C[C@H]2CC1C3	0
S=c1[nH]ccn1Cc1cccs1	0
CC1=C(c2ccc(-n3ccnc3)cc2)CNC1=O	0
Nc1nc(Br)cn2ccnc12	0
CNc1nc(Br)cn2ccnc12	0
CCNc1nc(Br)cn2ccnc12	0
CCNc1ncc(Cl)n2ccnc12	0
O=C1NC(=O)[C@]2(N1)NC(=O)Nc1ccccc12	0
Cc1ccc([C@H]2COc3cc(O)c(O)cc3C2)cc1	0
Oc1ccc([C@H]2COc3c(ccc(O)c3O)C2)cc1	0
Cc1cc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)on1	0
N#Cc1ccc(Nc2ncnc3c2CC[C@@H]3O)cc1	0
CCN(CC)c1ccc2[nH]c3nc(=O)[nH]c-3cc2c1	0
NCc1nccn1Cc1ccsc1	0
CN(C)c1ncnc2c1ncn2Cc1ccccc1	0
Cn1ccc(Nc2ccccc2O)n1	0
FC(F)(F)c1cccc(CN2CCCCC2)c1	0
O=c1c2ccc[nH]c-2cn1Cc1ccc(Cl)cc1	0
O=c1c2ccc[nH]c-2cn1Cc1ccccc1C(F)(F)F	0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12	0
NC(=O)[C@H]1C[C@@H]1c1c[nH]cn1	0
CC(C)C1=CC2=CC(=O)[C@@H]3C(C)(C)CCC[C@@]3(C)C2C(=O)C1=O	0
O=c1cc(N2CCOCC2)oc2c3c(ccc12)CCCC3	0
Cc1cc(Cl)ccc1N1C(=O)CON(C)C1=S	0
CN1OCC(=O)N(C(c2ccccc2)c2ccccc2)C1=S	0
CN1OCC(=O)N(c2ccc(C(C)(C)C)cc2)C1=S	0
N#Cc1ccc(N2CCC(O)CC2)cc1C(F)(F)F	0
Cc1cccc(C)c1/N=N/N1CCCC1	0
CNC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	0
C/C(=N\NC(N)=S)c1ccc(Cl)c(Cl)c1	0
Cc1ccc(NC(=O)[C@H]2CC2(C)C)cc1	0
O=c1[nH]c2sccc2c2ccccc12	0
O=c1[nH]c2sccc2c2c(O)cccc12	0
CNC(=O)c1ccc2cc([C@]3(O)CCn4cncc43)ccc2c1	0
N#Cc1nccnc1N1CCc2ccccc2CC1	0
Cc1cccc(C)c1Nc1nc2ccccc2[nH]1	0
Clc1ccccc1Nc1nc2ccccc2[nH]1	0
Oc1ccc(-c2nc3cc(O)ccc3o2)cc1	0
N#Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12	0
Fc1ccc(-c2nc(-c3cccnc3)cs2)cc1	0
CN(C)c1ccc(-c2cnc(-c3ccccc3-c3ccccc3)o2)cc1	0
CC(C)N(C(=O)c1ccc(=O)[nH]c1)C(C)C	0
Nc1nc(-c2ccccn2)c(-c2ccc3ncccc3n2)s1	0
c1ccc(-c2n[nH]cc2-c2ccc3ncccc3n2)nc1	0
OCn1nc(Nc2ccccc2)n(-c2ccccc2)c1=S	0
S=c1[nH]nc(Cc2ccccc2)n1-c1ccccc1	0
Fc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1	0
CCN(CC)c1ccc(/C=C2\Oc3c(ccc(O)c3O)C2=O)cc1	0
Nc1nc(-c2ccco2)c2cnn(CCCc3ccccc3)c2n1	0
Nc1nc(-c2ccco2)c2ccn(Cc3ccccc3F)c2n1	0
CNC(=O)N1C=CC(C)(C)C=C1	0
O=c1[nH]c2c([nH]1)-c1ccncc1CC2	0
O=C1N(C/C=C/c2ccccc2)CCN1c1cccnc1	0
O=C1CCCN(c2ccccc2)N1	0
Cc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1N(C)C	0
O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1ccc(F)cc12	0
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+]CC3)cc21	0
CNc1nccn2c(Br)cnc12	0
O=c1[nH]c(=O)c2cccc(O)c2o1	0
Fc1cccc(Cn2nc[nH]c2=S)c1	0
Clc1ccc(-c2ccc(-c3ncc[nH]3)o2)cc1	0
CN1C[C@H](c2cccc(O)c2)O[C@H]1C(C)(C)C	0
Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2	0
CSc1nc2ccccc2n1Cc1ccccn1	0
NC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1	0
c1cnn(-c2cc(-n3cccn3)ncn2)c1	0
C[N+](C)(C)NCCC(=O)[O-]	0
COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC)c1Cl	0
Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1	0
COc1ccccc1O[C@]1(C)OC(=O)c2ccccc2O1	0
O=c1ccc2cc(N3CCCCC3)ccc2[nH]1	0
Cn1c(=O)c2c(ncn2CC2SCCS2)n(C)c1=O	0
Nc1ncnc2c1c(Br)cn2COC(CO)CO	0
C[C@H]([C@](O)(Cn1cncn1)c1ccc(F)cc1F)S(C)(=O)=O	0
S=c1[nH]ccn1Cc1ccoc1	0
Cc1nnc2c(C)c3[nH][nH]c(C)c3cc12	0
CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O	0
O=c1[nH]nc2n1-c1ccccc1SC2	0
CCn1c(SCc2ccccn2)nc2ccccc2c1=O	0
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)C[C@H]1F	0
COc1cc(C)c(Oc2cc(C)cc(O)c2O)c(O)c1	0
Cc1c(F)c(N2CC[NH2+]CC2)cc2c1c(=O)c(C(=O)[O-])cn2C1CC1	0
CNC(=O)OCc1nc(SC)n(C)c1COC(=O)NC	0
C[C@H]1CC(=O)NN=C1/C=C/c1ccc(-n2ccnc2)cc1	0
C[C@@]12CCC(=O)N1c1ccccc1N2	0
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F	0
CC1(C)Oc2ccc(C#N)cc2[C@H](OC2=CC(=O)CC2)[C@H]1O	0
Cc1c(O)c(C)c2sc(N)nc2c1C	0
Cc1[nH]c(=O)c(C#N)cc1-c1ccc(C#N)cc1	0
Cn1cnc2c(Nc3ccccc3)ncnc21	0
C[C@@H]1CN(c2ccccc2)NC(=O)N1	0
[O-]C1=[NH+]N(c2cccc(Cl)c2)CCN1	0
CN(C)c1ccccc1CSc1nccn1C	0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](F)[C@H](CO)O2)cc1Cl	0
S=c1[nH]ccn1CCc1cccs1	0
O=C1CCCN1CC1CCN(c2ccnc(C(F)(F)F)n2)CC1	0
Nc1nc2c(ncn2[C@@H]2C=C[C@H](CO)C2)c(=O)[nH]1	0
CCc1nsc([C@H]2CN3CCC2CC3)n1	0
CC(C)Nc1ncc2c(n1)N(C)C(=O)C2	0
C[C@H]1CC(=O)NN=C1c1ccc2c(c1)C(C)(C)C(=O)N2C	0
CCCc1[nH]c(=O)oc1-c1ccncc1	0
CNc1ncnc2c1nnn2Cc1ccccc1F	0
CN1C(=O)COc2c(C(=O)N[C@H]3CN4CCC3CC4)cc(Cl)cc21	0
Cc1cccc(C)c1OCc1cncn1C	0
Clc1cccc(Nc2ccncc2)c1	0
CCn1c(-c2ccc(Cl)cc2)nn(C)c1=O	0
CCn1c(-c2ccc(Cl)cc2)n[nH]c1=O	0
O=C1SCCN1Cc1ccccc1	0
C[C@@H](c1ccoc1)N(O)C(N)=O	0
O=C1CCCN1S(=O)(=O)c1ccc(Cl)cc1	0
CC(C)C(=O)c1c(C(C)C)nn2ccccc12	0
CC(=O)OCC1=CC(=O)C=CC1=O	0
COC1=C(C)C(=O)c2c(c(CO)c3n2CC[C@@H]3O)C1=O	0
O=C(OC1CCCCC1)[C@H]1O[C@@H]1C(=O)OC1CCCCC1	0
Nc1nc(Cl)c2nnn([C@H]3C=C[C@@H](CO)C3)c2n1	0
CNc1ncnc2cc(C3=NNC(=O)C[C@@H]3C)ccc12	0
CNC(=O)[C@@H](C#N)C(=O)C1CC1	0
CCc1c(OC)nc2nc(-c3noc(C)n3)cn2c1C	0
Cc1cccc2ncc(C(=O)NC(C)C)c(=O)n12	0
Clc1cccc(N2CC[NH2+]CC2)c1	1
Cc1cc(/C=C/c2cccs2)cc(C)c1O	0
CC(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C	0
NS(=O)(=O)Cc1noc2ccccc12	0
N=NC(N)NCc1ccccc1	0
CC(=O)N(O)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O	0
Cc1cccc(N2CC[NH2+]CC2)n1	1
CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1	0
NC(=O)c1ccn2c1CS[C@H]2c1cccnc1	0
C=CCn1ccc(=O)c(O)c1C	0
C[C@H](SC(=O)c1cccs1)C(=O)N[C@H]1CCSC1=O	0
Nc1nc(NC2CC2)c2ncn([C@@H]3C=C[C@H](CO)C3)c2n1	0
c1csc(-c2cc3[nH]ccn3n2)c1	0
O=c1[nH]c2ccc(Nc3ccc4[nH]ccc4c3)cc2o1	0
Nc1ncc([C@@]23CCC[N@@H+](CC2)C3)o1	1
CCn1cnc(C(=O)NC)c1C(=O)NC	0
C[C@H]1NC(=O)[C@H]2C[C@H]3CCC[C@H]3N2C1=O	0
O=c1c2nc[nH]c2n(CC2CC2)c(=O)n1CC1CC1	0
O=C(c1ccccc1)c1cn2ccccc2n1	0
Cc1nc2c(=O)n(CC(C)C)c(=O)n(CC(C)C)c2[nH]1	0
Cc1cccc(C)c1NC(=O)c1ccc(S(C)(=O)=O)cc1	0
O=C1SCCN1Cc1ccccc1[N+](=O)[O-]	0
O=C(Nc1ccncc1)NN1CC=CCC1	0
S=c1[nH]ccn1Cc1ccc[nH]1	0
Cc1cc(NC(=O)c2ccsc2)cc(C)c1O	0
CCCC(=O)O[C@@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@H]1CO	0
CC(C)(C)NC(=O)N[C@@H]1[C@@H](O)c2cc(C#N)ccc2OC1(C)C	0
O=c1cc(N2CCOCC2)oc2ccccc12	0
C1=C(c2ncco2)C[NH2+]CC1	1
CCNc1nc2ccccc2n2c(CC)nnc12	0
Cc1csc(Nc2nc3ccccc3[nH]2)n1	0
Cc1ccc(-n2c(COc3ccc(Cl)c(C)c3)n[nH]c2=O)cc1	0
C[C@@H](NC(=S)Nc1ccc(C#N)cc1)C(C)(C)C	0
C[C@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1	0
Cn1nc(O[C@H]2c3cc(C#N)ccc3OC(C)(C)[C@@H]2O)ccc1=O	0
O=C1CNC(=O)[C@@H](c2cccs2)N1	0
NS(=O)(=O)c1ccc(Cl)cc1	0
O=c1c2ccccc2nc(C(F)(F)F)n1-c1ccccc1	0
Cc1c(O)c(C)c2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2	0
Cc1cc(=O)c(N)nn1-c1cccc(C(F)(F)F)c1	0
Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1	0
Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2sccc2n1	0
O=C1CC2(CCCC2)C(=O)N1OCc1ccccc1	0
Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1	0
Nc1ccc(Sc2cnc(N)s2)cc1	0
Nc1ncc(S(=O)(=O)c2ccccn2)s1	0
COc1cc([S@@](C)=O)sc1-c1nc2cc[nH]cc-2n1	0
FC(F)(F)c1cccc(Nc2ccccc2C2N=NC(=S)N2)c1	0
Nc1noc(C23CCCN(C2)C3)n1	0
O=C1[C@H]2C[C@H](CC[NH2+]2)N1[O-]	0
COc1c(-c2ccc(O)cc2)oc2cc([O-])c(C)c(C)c2c1=O	-1
Nc1ccc(-c2cc(=O)c3cc(O)ccc3o2)cc1	0
CCc1cccc2c1S(=O)(=O)c1ccccc1O2	0
Cn1nc(-c2cccc(F)c2)n(C)c1=S	0
Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3	0
[NH3+]CC1(CC(=O)[O-])CCCCC1	0
C[C@]1(O)C[C@H](O)[C@H]2CC(=O)OC[C@@H]21	0
O=C(c1ccccn1)c1cnn2c(-c3ccncc3)ccnc12	0
CSc1nc(Nc2ccccc2)c2cccnc2n1	0
Cc1ccc(C2(C(C)(C)C)OCCO2)cc1	0
COc1ccc(C2CNC(=O)NC2)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2	0
CC1(C)Oc2ccc(C#N)cc2[C@@H](OC2=CC(=O)CC2)[C@]1(C)O	0
N#Cc1ccccc1CN1CCSC1=O	0
Nc1nc(N)c2nc(CSc3ccccc3)cnc2n1	0
Cc1ccccc1-n1nnc2cnc3ccccc3c21	0
CC1=C[C@H](O)[C@H](O)C(C)(C)CC1=O	0
O=C1CN=C(c2ccc[nH]2)c2cc(Cl)ccc2N1	0
N#Cc1c2n(c3c(Cl)ncnc13)CCCC2	0
CC(=O)NC1CCC(O[N+](=O)[O-])CC1	0
Nc1nncc(C23CCN(CC2)C3)n1	0
O=C(N[C@@H]1CCCCNC1=O)c1cccc(C(F)(F)F)c1	0
Cn1cnc2c(NC3CCCC3)ncnc21	0
C[C@H](C(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1Cl	0
CC(C)Cn1cnc2[nH]c(=O)n(C)c(=O)c21	0
O=C1CS[C@@H](c2ccccc2)c2cc(Cl)ccc2N1	0
C=C1[C@@H](CO)[C@H](O)C[C@H]1n1cnc2c(=O)[nH]c(N)nc21	0
Cn1cncc1CN1OCCC1=O	0
CN1c2ccccc2CNc2cncnc21	0
O=C([C@H]1CCc2nc[nH]c2C1)N1CCc2ccccc21	0
Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12	0
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ccc(Cl)cc2)cc1	-1
CC(C)(C)c1cc(N2CCCC2=O)cc(C(C)(C)C)c1O	0
C[C@H]1CC(=O)NN=C1c1ccc2c(NCc3ccccc3)ncnc2c1	0
CNC1=Nc2ccc(Cl)cc2C(c2ccc[nH]2)=NC1	0
Cc1ncc2c(c1O)CN(c1ccccc1)C2	0
O=C1NCCN2CCCC[C@@H]12	0
O=c1ccc2cc(-c3cccnc3)ccc2[nH]1	0
CCCc1c(O)n2c3cc(C)ccc3nc(N(C)C)n2c1=O	0
Clc1cncc([C@@H]2CN3CCC2CC3)n1	0
Fc1cccc(F)c1[C@@H]1SCc2nc3ccccc3n21	0
Cn1cnc2sncc(=O)c21	0
Cc1ccc([C@@H](O)c2nc3c(cc2C)CCC3)cc1	0
O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC(c2c[nH]cn2)CC1	0
Cn1cc([S@@](C)=O)c(=O)c2ccc(F)cc21	0
C[C@H]1CC(=O)NN=C1c1ccc2c(c1)Oc1c[nH]nc1N2	0
C=Cc1cccc2c1S(=O)(=O)c1ccccc1O2	0
O=C1CCCN1c1ccnc(N2CCCCC2)n1	0
Nc1nc(=O)n([C@H]2CS[C@@H](CO)O2)cc1F	0
Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21	0
CCN1CC(Oc2c(C)cccc2C)C1	0
c1cc2c(cc1N1CCCC1)CCN2	0
C[N@@H+]1CCc2cc(Cl)c([O-])cc2[C@H](c2cccc3c2OCC3)C1	0
CN1CCC=C(c2nc(N)sc2Cl)C1	0
CSc1nnc(-c2nc(C(C)(C)C)c(O)c(C(C)(C)C)n2)s1	0
Nc1nc2c(Cc3ccsc3)c[nH]c2c(=O)[nH]1	0
CCN(c1ccccc1)c1cc(=NC)n(C)c(C)n1	0
CCN1c2ncccc2-c2ncc(C)n2-c2ccc(OC)nc21	0
CC1(C)CC(O)CC(C)(C)N1O	0
C[C@H]1CC(=O)NN=C1c1ccc(-n2ccc(=O)cc2)cc1	0
O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCC(O)CC1	0
O=C1CCc2ccc(O)c(O)c21	0
CC[C@H]1Cn2cc([N+](=O)[O-])nc2O1	0
O=C1c2ccccc2[C@@]2(c3ccccc3)CCCN12	0
Cc1ccc(S(=O)(=O)n2c(C=O)cc3ccccc32)cc1	0
CC1=C(N)C(=O)c2c(ccnc2C)C1=O	0
Cc1c(C)c2ccc(OCc3nnc(C(C)C)s3)cc2oc1=O	0
O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(Cl)ccc1O	0
O=C1c2ccccc2[C@H]2SCCN1c1ccccc12	0
Cc1ccccc1/C=C/C(N)=O	0
Cc1nccn1Cc1ccccn1	0
N/C(=N\O)c1cc(O)c(O)c(O)c1	0
CCC(CC)n1c(C)cc2c3c(N)nc(N)nc3ccc21	0
Cc1ccc2oc(N[C@@H](CC3CCCCC3)c3ccccn3)nc2c1	0
O=c1cc(N2CCOCC2)oc2c(OCc3cccnc3)cccc12	0
COc1cc(-c2ccccn2)nc(/C=N/O)c1SC	0
N#C[C@H]1C=Cc2ccccc2N1C(=O)c1ccc(Cl)cc1	0
c1ccc(Oc2nncc3ccccc23)cc1	0
CCCc1nc(-c2ccccn2)c(-c2ccccc2C)s1	0
Cc1cccc(Nc2cc[nH+]cc2S(=O)([O-])=NC(=O)NC(C)C)c1	0
CCn1nc(-c2cccnc2)c2ccccc2c1=O	0
CNc1nc(Br)cn2cc(C#N)nc12	0
c1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1	0
CC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C1=O	0
Cc1ccc2c(c1O)C(=O)c1c(C)cc(O)cc1[C@]2(C)O	0
O=c1c(-c2ccccc2)c(O)[nH]c2cc(Cl)ccc12	0
CN1CCN(c2cccc(Br)n2)CC1	0
O=S(=O)(Nc1ccc(CO)nc1)c1ccc(F)cc1	0
c1cncc(-c2nnc3c4ccccc4cnn23)c1	0
O=S(=O)(c1ccccc1)c1c(-c2ccccc2)no[n+]1[O-]	0
O=c1[nH]c2c(cc1-c1noc(C3CC3)n1)CN(Cc1ccccc1)CC2	0
Cn1ccc2c3c(ccc21)N(C(=O)Nc1cccnc1)CC3	0
Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1	0
O=C1NCCc2ncccc21	0
Nc1ccn([C@H]2C=C[C@@H](CO)S2)c(=O)n1	0
O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12	0
C[C@H](Nc1ccc(Cl)cc1)c1ccncc1	0
Cn1ncc2c1CCCC2=O	0
N#Cc1ccc([C@H]([C@@H](O)Cc2ccc(F)cc2)n2cncn2)cc1	0
O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21	0
Nc1nc2ccccc2[n+]([O-])n1	0
Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1	0
Cc1cc2cccnc2n(CCC(C)C)c1=O	0
CC1(C)CCC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])CC1	0
CC1(C)CO[C@@H](CC(=O)[O-])C[NH2+]1	0
O=C(Nc1cccnc1)N1CCc2cc3sccc3cc21	0
Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12	0
CCN1CNS(=O)(=O)c2ncccc21	0
Cc1ncsc1[C@H](O)c1ccoc1	0
C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	0
CC(=O)Oc1ccccc1C(=O)Oc1c(C)occc1=O	0
N=C1N[C@@]2(CCc3cccc(Cl)c3C2)CO1	0
CCCn1c(=O)c2nc([C@@H]3CCC(=O)C3)[nH]c2n(CCC)c1=O	0
CC(C)CCNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1	0
Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1	0
Cc1nc(N2CCCC2)[nH]c(=O)c1C	0
O=C1c2ccccc2OCN1CCO	0
Nc1ccc(-c2nc3ccccc3s2)cc1	0
CCn1nnc(C2=CCCN(C)C2)n1	0
Cc1cc2[nH]c(=O)c(=O)[nH]c2c([N+](=O)[O-])c1C	0
C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2	0
Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1	0
Cc1cccc(Nc2ncnc3ccc(N)cc23)c1	0
Cc1cccc(-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)c1	0
CS(=O)(=O)c1ccc(-c2ccccc2-c2ccccc2)cc1	0
O=c1[nH]c(=O)n(C[C@@]2(CO)C[C@@H]2CO)cc1C=CBr	0
O=C1c2cccc3c2[C@@H](CCC3)CN1[C@H]1CN2CCC1CC2	0
Cc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3	0
Fc1ccc2c(/C=C/c3ccncc3)c[nH]c2c1	0
Cn1cnnc1-c1cccc(F)c1	0
N#Cc1ccc([C@@H]2CCCc3cncn32)cc1	0
O=c1[nH]c(-c2ccccc2)cn2ccnc12	0
CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21	0
CNC(=O)C1C(C)(C)C1(C)C	0
O=c1[nH]c2cc(Cl)c[n+]([O-])c2[nH]c1=O	0
CNC(=S)n1nc(-c2ccc(Cl)cc2)nc1N	0
Cc1cc(C)cc(S(=O)(=O)c2cccc(N)c2C#N)c1	0
Nc1nc2ccc(OC(F)(F)F)cc2s1	0
CS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(F)cc2)CC3)cc1	0
Oc1ccc(-c2cncc(-c3ccc(O)cc3)c2)cc1	0
CC(=O)Nc1ccccc1-c1nc2ccccc2s1	0
Cc1ccc(-c2csc(C)n2)cc1	0
c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1	0
COC1=C(Cl)C(=O)c2ccccc2C1=O	0
O=C(c1cccs1)c1ccccc1O	0
Cc1cccc2c1CCC[C@H]2c1c[nH]cn1	0
Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1	0
Cn1c2ccccc2c2cc(C(=O)N3CCOCC3)sc21	0
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1	0
Cc1cc(-c2nc3ccccc3s2)ccc1N	0
CCn1c(=O)c(NC)nc2ccccc21	0
CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1	0
Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-]	0
CS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)s1	0
CC(=O)c1cc(Nc2cc(C)n(C)c(=N)n2)cc(C(C)=O)c1	0
CNc1ccc(Cl)cc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	0
O=S1(=O)N[C@@H]2CCCN2c2ccccc21	0
Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	0
[NH3+][C@H](C(=O)[O-])c1ccccc1O	0
CC(C)c1cc(/C=C2\CN3CCC2CC3)on1	0
C1=C(c2csc3ccccc23)N2CCN=C2S1	0
CC(=O)C(=Cc1ccc(S(C)(=O)=O)cc1)C(C)=O	0
OCc1ccc(-c2ccc(-c3ccc(CO)s3)o2)s1	0
Cc1csc(NC(=O)C(C(=O)OC(C)C)=C2SCS2)n1	0
O=c1[nH]c(N2CCOCC2)cn1-c1ccc(Cl)cc1	0
C[C@H](c1c[nH]cn1)[C@@H]1CCc2ccccc21	0
Oc1ccc2c(c1)[C@H](Cc1c[nH]cn1)CC2	0
Nc1nc(N)c(-c2cccc(Cl)c2Cl)c(CF)n1	0
c1ccc2c(c1)SCc1c-2[nH]c2ccccc12	0
CC[C@]1(c2ccccc2)NC(=O)N(c2nccs2)C1=O	0
c1ccc2c(c1)CCC[C@@H]2Nc1ncnc2nc[nH]c12	0
CS(=O)(=O)c1c(F)cc(-c2cc(C(N)=O)c(Cl)nn2)cc1F	0
CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1	0
C=C1C[C@@](COc2cccc3ccc(C)nc23)(c2ccccc2)OC1=O	0
CC1=C2CCc3cc(C)ccc3N2CCC1=O	0
C[C@@H]1CCC[C@](C[NH3+])(CC(=O)[O-])C1	0
CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O	0
O=C1c2cc3c(cc2O[C@H]2CCCN12)OCCO3	0
O=C([O-])C1CC[NH+](Cc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)CC1	0
CS(=O)(=O)c1ccc(C2=C(c3cncc(Cl)c3)C(=O)CC2)cc1	0
CS(=O)(=O)c1ccc(C2=C(c3cccnc3)C(=O)CC2)cc1	0
CN1CCN(c2ccccc2/C=C2/C(=O)Nc3ccccc32)CC1	0
c1ccc(-c2cnc3cc4ccccc4cc3n2)cc1	0
Nc1nc(=O)n([C@@H]2C=C[C@H](CO)O2)cc1F	0
Cc1nnc2c(=O)[nH]c3cc(Cl)c(Cl)cc3n12	0
O=c1[nH]c2cc([N+](=O)[O-])ccc2n2cnnc12	0
Cc1cccc(NC2=NCCO2)c1C	0
CCc1cc(-n2ccnc2)cc2nc(-c3ccncc3)[nH]c12	0
C[C@@H](NC(=S)Nc1ccc(C#N)nc1)C(C)(C)C	0
O=c1onc2n1-c1cc(Br)ccc1OC2	0
COC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)C=C2	0
Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1C	0
Nc1nc(Cl)c(N)c(NCC2(CO)CC2)n1	0
Fc1ccc(-c2nc[nH]c2-c2ccncc2)cc1	0
C[C@@]12CCCN1c1cc3[nH]c(=O)cc(C(F)(F)F)c3cc1CC2	0
Nc1nc(N)c2c(CSc3ccc4ccccc4c3)coc2n1	0
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CC#N	0
Cn1cc(/C=C2\C(=O)Nc3ccccc32)c2ccccc21	0
O=C1c2ccccc2C(=O)c2sc(-c3ccco3)nc21	0
C[NH+](C)CCOc1ccccc1-c1nc(-c2ccccc2)no1	1
Clc1ccc2c(c1)N(c1ncnc3[nH]ccc13)CC2	0
CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1	0
CC(C)NC(=O)OCc1cnc2c(c1)C(=O)c1cccnc1C2=O	0
CSc1cc(-c2ccc(Br)cc2)oc(=O)c1C#N	0
CC[C@H]1CCNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21	0
CCN1c2ncccc2C=Cc2cccnc21	0
Cc1csc2nc([C@H](C)NC(=O)/C=C/c3ccccc3)oc(=O)c12	0
c1cnc(N2CCN(CCNc3ccc4ccccc4n3)CC2)nc1	0
C[C@H]([NH2+]CCc1ccc(OCC(=O)[O-])cc1)[C@H](O)c1ccc(O)cc1	0
CC(C)Oc1ccc(Cc2ccc(NC3=[NH+]CCN3)cc2)cc1	1
c1ccc(-c2nc3ccccc3n3cncc23)cc1	0
O=[N+]([O-])/C(Br)=C/c1ccc(Br)o1	0
Cc1sc(N)nc1-c1ccc(Cl)cc1	0
NC(=S)c1ncn2c1NC(=S)CC2	0
Nc1ccc(Cl)cc1C(=O)C[C@H]([NH3+])C(=O)[O-]	0
C[C@@H]1CC(C[NH3+])(CC(=O)[O-])C[C@H]1C	0
Cc1c(CNc2ccccc2Cl)cnc2nc(N)nc(N)c12	0
CC(C)C[C@@H](C[NH3+])Cc1nnn[n-]1	0
COc1cc2ncc(-c3ccsc3)nc2cc1OC	0
C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)O[C@]13CC=C(C)[C@H]23	0
Cc1cccc(C)c1CNc1nccn2c(C)c(C)nc12	0
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)cc1	0
C=C1C[C@H]2COC(=O)[C@@]2(Cc2ccc3ccccc3c2)C1	0
Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1	0
CCC[C@@H](C(N)=O)C(C)C	0
CC(C)=C1Oc2c(ccc3cc(C)ncc23)C1=O	0
Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1	0
Cc1c(O)c(C)c2sc(NCc3cccnc3)nc2c1C	0
Cc1cc(O)c(C)c2sc(NCc3cccnc3)nc12	0
N#C[C@H]1C=Cc2ccccc2N1C(=O)/C=C/c1ccccc1	0
CC(=O)n1cc(F)c(=O)[nH]c1=O	0
CCOC(=O)n1cc(F)c(=O)[nH]c1=O	0
CC(=O)N[C@@H]1CCCCNC1=O	0
O=CN[C@@H]1CCCCNC1=O	0
Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2)cc1	0
Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)c(C(C)C)c2)cc1	0
CC(C)c1cc(NS(=O)(=O)c2ccccc2)cc(C(C)C)c1O	0
O=C1CSc2ccccc2CN1	0
CCCc1cc([C@H]2CCCN2C)on1	0
O=C1c2ccccc2-c2nccc3c(Cl)cnc1c23	0
Nc1cnc2c3c(nccc13)-c1ccccc1C2=O	0
O=C1c2ccccc2[C@@]2(c3ccccc3)OCCN12	0
O=C1c2ccccc2C(=O)N1CSc1ccncc1	0
Cn1ccc2cc(Nc3ccncc3)ccc21	0
c1cc(Nc2ccc3[nH]ccc3c2)ccn1	0
C=C1C(=O)c2cc(=O)n(C)cc2C(=O)C1OCC	0
NC(=O)C[C@H](c1ccccc1)c1c[nH]c2c(=O)[nH]c(N)nc12	0
CC(C)N=NC1=NCC(=O)N1C	0
O=C(N1c2ccccc2Oc2ccccc21)C(F)(F)F	0
Cc1nc(C)c(-c2cc(N)on2)s1	0
C[NH+]1CCN(c2cc3c(cc2N)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	0
Cc1c(N2CC[NH2+]CC2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	0
Cc1cccc(Cn2ccnc2C)n1	0
Cc1cn(Cc2ccccn2)c(C)n1	0
Cc1cnc(C)n1Cc1ccccn1	0
Cc1nccn1Cc1ccncc1	0
CNC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1	0
CNC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(F)cc32)N1	0
S=C(NCCC1=CCCCC1)Nc1ccc(Br)cn1	0
Nc1c(C2CCCCC2)[nH][nH]c1=O	0
O=C1O[C@H](O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]12	0
O=C1c2nc3n(c2C(=O)c2c1nc1n2CCC1)CCC3	0
CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n32	0
C[C@@H](CNS(C)(=O)=O)c1ccc(Br)cc1	0
CC(C)NS(=O)(=O)C[C@@H](C)c1ccccc1	0
O=C1c2scc(-c3ccc(O)c(O)c3)c2-n2cccc21	0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccc(O)cc12	0
N#Cc1cccc(-c2ccc(-c3nn[nH]n3)cc2)c1	0
CC(C)c1cc(I)cc(C(C)C)c1O	0
CC(C)C[C@@H]1C[NH2+]C[C@H]1C(=O)[O-]	0
O[C@]12N=C(c3ccccc3)S[C@H]1Cc1cc(Cl)ccc12	0
COc1cc2c(c(N)c1OC)C(=O)/C(=C/c1cc(C)c(O)c(C)c1)C2	0
Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1	0
Cc1cc(-c2nc3cc(F)ccc3s2)ccc1N	0
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN12	0
CC1(NC2=NS(=O)(=O)c3sc(Cl)cc3N2)CC1	0
Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N(C)C)cc1	0
CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(-c2ccc(C#N)cc2)cc1	0
C[C@@H](NC(=S)Nc1ccc(Br)cn1)c1ccccc1	0
O=C1NCCc2c(-c3ccc(F)cc3)[nH]c3cccc1c23	0
O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1	0
Nc1ccc(Sc2ccc3ccccc3c2Cl)c(Cl)c1	0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](O)[C@H]2O	0
N#CN1CC[C@H](NS(=O)(=O)c2ccccc2)C1	0
CC1(C)OC(=O)Nc2ccc(-c3cccc(F)c3)cc21	0
Cc1ccc2sc(N)nc2c1C	0
CC1=C(c2csc3ccccc23)N2CCN=C2S1	0
OCC1=C(c2csc3ccccc23)N2CCN=C2S1	0
Clc1ccc(Nc2ncnn3cccc23)cc1	0
[NH3+]C[C@H](CC(=O)[O-])Cc1ccco1	0
Nc1cccc2[nH]c(Cc3nc4ccccc4[nH]3)nc12	0
Cn1c(C(F)(F)F)nc2cc(Cl)ccc21	0
CC(C)(C)C1(O)CCS(=O)CC1	0
CC(C)(C)c1s[nH]c(=O)c1C[C@H]([NH3+])C(=O)[O-]	0
S=C(NCc1ccco1)Nc1nccs1	0
Brc1cscc1Cc1c[nH]cn1	0
O=C1c2ncccc2-c2nc3ccccc3c3ccnc1c23	0
O=C1c2ncccc2-c2nccc3ccnc1c23	0
N#Cc1cccc(-c2nc(-c3ccccn3)no2)c1	0
CC(C)[C@@](O)(c1cccc(-c2ccc(F)cc2)c1)c1c[nH]cn1	0
C[C@@H]1C(c2ccccc2)=C(c2ccc(S(C)(=O)=O)cc2)ON1C	0
Clc1ccc2c(c1)N1CC[C@H](n3ccnc3)c3cccc(c31)S2	0
c1ccc(-c2cccc(-c3ccccn3)n2)nc1	0
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	0
CC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2C)c1=O	0
O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1cccnc1	0
C=CC[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3	0
O=C1C=CC(O)(c2nc3ccccc3s2)C=C1	0
Oc1cccc(-c2c[nH]nn2)c1	0
CC1=CC(=O)N(O)C(=O)C1=C(C)Nc1ccccc1N	0
CC[C@@]1(c2ccccc2)Oc2cccnc2-n2cccc2C1=O	0
NC(=S)Nc1nsc(-c2ccccc2)n1	0
Cc1cc2c(o1)c(C)cc1c(CO)cc(=O)n(C)c12	0
Nc1nc(NC2CC2)c2ncn([C@@H]3C=C[C@H](CO)O3)c2n1	0
O=S1(=O)Nc2ccccc2N1	0
CNc1ccc(-c2nc3ccccc3s2)cc1	0
C[C@@H]1Nc2ccc(-c3csc(C#N)c3)cc2C(C)(C)O1	0
COC(=O)[C@H]1CC(C)(C)N(OC(C)=O)C1(C)C	0
O=c1cc(N2CCOCC2)oc2c1ccc1ccccc12	0
N#Cc1ccc(N2CCCC2)cc1C(F)(F)F	0
Nc1cccc2c(=O)[nH]c3sccc3c12	0
Oc1cccc(Nc2ccc(Nc3cccc(O)c3)nn2)c1	0
Cc1nc2ncnn2c2c1CCN2[C@H](C)c1ccccc1	0
NC(=O)Cc1nc(=O)c2ccccc2s1	0
Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)cc1	0
C[N@@H+]1CC[C@@H]2CCc3ccncc3[C@@H]21	1
Cc1cc(C=O)c(C)n1CC(N)=O	0
CC(C)N1C(=O)[C@H]2Cc3[nH]cnc3CN2C1=O	0
N[C@@H](Cc1ccc(O)cc1)C(=O)NO	0
Cc1ccc2c(c1)[C@H](N1CCCC1=O)[C@@H](O)C(C)(C)O2	0
C1COC(NC(C2CC2)C2CC2)=N1	0
NC(=O)CSC(c1ccccc1)c1ccccc1	0
c1cn(-c2cc(-n3ccnc3)ncn2)cn1	0
COc1cc(-n2ccnc2)ncn1	0
COc1cc(C)nc(-n2ccnc2)n1	0
Nc1cc(-n2cccn2)ncn1	0
O=C1CC2(C(=O)N1)c1cc(F)ccc1-c1ccc(F)cc12	0
COc1c(C)cnc(CSc2nnnn2C)c1C	0
O=Cc1ccc(-c2ccc(-c3cccs3)s2)s1	0
Cc1ccc2c(c1)N(c1ncnc3[nH]ccc13)CC2	0
Nc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1	0
CS(=O)(=O)c1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)CC2)cc1	0
C[C@@H](c1nc2ccccc2s1)N(O)C(N)=O	0
Fc1cc(F)cc(CN2CCNC2=S)c1	0
CO/N=C(\C)c1scnc1C	0
C[C@@H](c1ccc(-c2ccccc2)o1)N(O)C(N)=O	0
NC(=O)N(O)C/C=C/c1ccoc1	0
C[C@@H](c1ccc(-c2ccccn2)o1)N(O)C(N)=O	0
Cc1ccc(/C=C/[C@H](C)N(O)C(N)=O)o1	0
NC(=O)N(O)Cc1ccc(-c2ccccc2)o1	0
O=C1CCCN1S(=O)(=O)c1ccccc1	0
CC1(C)C=C(n2ccccc2=O)c2cc([N+](=O)[O-])ccc21	0
CC1(C)C=C(N2CCCCC2=O)c2ccc(C(F)(F)F)cc21	0
c1ccc([C@@]2(Cn3ccnc3)OCc3ccccc32)cc1	0
CC1(C)C=C(n2ccccc2=O)c2cnccc2O1	0
Cc1nc(N2CCN(C)CC2)nc2c1CCCC2	0
CNC(=S)[C@]1(c2cccnc2)CCCCC1=O	0
c1cnn(Nc2ccncc2)c1	0
O[C@H](c1ccccc1)C1CC[NH+](C[C@H](O)c2ccccc2)CC1	1
N#C[C@H](C(=O)NC1CC1)C(=O)C1CC1	0
CC(C)NC(=O)c1cnoc1C1CC1	0
O=C(NC1CC1)c1cnoc1C1CC1	0
CNC(=O)c1cnoc1C1CC1	0
CN(C)C(=O)c1cnoc1C1CC1	0
CCn1cc(C(=O)[O-])c(=O)c2c(C)c(F)c(N3CC[NH2+]CC3)cc21	0
Cc1cnc(N2CC[NH2+]CC2)nc1C	1
Cc1cc(C)nc(N2CC[NH2+]CC2)n1	1
CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1NC=O	0
O[C@H]1CN2C[C@@H](c3cnccn3)[C@H]1C2	0
CNC(=O)c1cnc2cccc(C)n2c1=O	0
Cn1cc(C2=C(c3ccccc3Cl)C(=O)NC2=O)c2ccccc21	0
CC1=C(Nc2ccc(C3=NNC(=O)C[C@@H]3C)cc2)CCC1=O	0
CC(C)C[C@@H]1C(=O)N[C@H]2CCC(=O)N21	0
O=C1N[C@H]2CCC(=O)N2[C@@H]1Cc1ccccc1	0
O=C1CN2C(=O)CCCC[C@H]2N1	0
Cc1cc(/C=C/c2ccc(F)cc2)cc(C)c1O	0
c1cncc(COc2ccccc2-c2nc3ccccc3[nH]2)c1	0
O=c1c2sccc2nc2n1CCCC2	0
Nc1noc(C23CCN(CC2)C3)n1	0
Cc1cccc(N2CC[NH+](C)CC2)n1	1
c1ccc(CSc2cnc3ccccc3n2)nc1	0
CC1=CC[C@H](C(C)(C)O)CC1=O	0
COc1ccc(-c2csc(=S)s2)cc1	0
O=C(c1ccc(F)cc1)C1CC[NH+](CCc2cccnc2)CC1	1
O[C@H](c1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1	1
OCCn1nnc(-c2ccc(OCc3ccccc3)cc2)n1	0
OCCn1nnc(-c2ccc(OCc3ccccc3Cl)cc2)n1	0
OCCn1nnc(-c2ccc(OCc3cccc(Cl)c3)cc2)n1	0
O=C([O-])CCC[NH+](Cc1cccs1)Cc1cccs1	0
C[N@H+](CCCC(=O)[O-])Cc1ccc(Cl)cc1	0
CC1(C)C(=O)N(c2ccc(Cl)cc2)c2ncccc21	0
CN1C(=O)C(C)(C)c2cccnc21	0
N#Cc1ccc(NC(=S)c2ccccn2)cc1	0
N#Cc1cccc(NC(=S)c2ccccn2)c1	0
CC1(C)C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc21	0
CC1(C)C(=O)Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc21	0
CC1(C)C(=O)Nc2cc(C(=O)Nc3ccncc3)ccc21	0
Cc1cc(O)ccc1NC(=O)c1ccc2c(c1)NC(=O)C2(C)C	0
CC1(C)C(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc21	0
Cc1cnccc1-c1sc(=O)[nH]c1C	0
Cc1cccc2c(=O)[nH]cc(Br)c12	0
Nc1ncnc2c1ncn2C1CC(CO)C1	0
Nc1ccn(C2CC(CO)C2)c(=O)n1	0
c1ccc(-c2cc3nccn3[nH]2)cc1	0
c1ccc(-c2c[nH]n3ccnc23)cc1	0
Cc1c(-c2cccs2)nn2cc[nH]c12	0
Cc1[nH]n2ccnc2c1-c1ccccc1	0
c1csc(-c2c[nH]n3ccnc23)c1	0
Cc1[nH]n2ccnc2c1-c1cccs1	0
CCCc1nc(NO)nc(N2CCOCC2)n1	0
C[C@H](c1cccnc1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	0
C[C@H](c1ccncn1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	0
S=C1N=NC(c2ccccn2)N1Cc1ccccc1	0
O=c1[nH]c2ccc(Nc3ccoc3)cc2o1	0
CN(C)c1ccccc1Nc1ccc2[nH]c(=O)oc2c1	0
Nc1noc(CC23CCN(CC2)C3)n1	0
CCCc1cc2c(cc1O)CCS2	0
Cn1cc(-c2noc(CN)n2)c2ccccc21	0
CNCc1nc(-c2cn(C)c3ccccc23)no1	0
CN(C)Cc1nc(-c2cn(C)c3ccccc23)no1	0
CC1=N[C@@H]2CCCc3nc4ccccc4c(c32)N1	0
O=C1c2ccccc2-c2c1c(C[NH+]1CCCCC1)c([O-])c1ccccc21	0
S=c1[nH]ccn1Cc1ncc[nH]1	0
CC(C)(C)c1cc(-c2nnc(N)s2)cc(C(C)(C)C)c1O	0
N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccco1	0
O=C1OCCN1CCCn1ccnc1[N+](=O)[O-]	0
Cn1nc(O[C@@H]2c3cc(C#N)ccc3OC(C)(C)[C@@]2(C)O)ccc1=O	0
CC(C)(C)c1ccc(C(=O)Nc2ccc(O)cc2)cc1	0
CC(C)(C)c1ccc(C(=O)Nc2ccccc2Cl)cc1	0
CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1	0
CCN(CC)c1nc2ccccc2n2cnnc12	0
Nc1ncnc2c1ncn2C1CCCCC1	0
NNc1ccc(C(=O)ON2C(=O)CCC2=O)cc1	0
CN1CCC=C(c2nonc2N)C1	0
Cc1cc2[nH]c(-c3ccncc3)nc2cc1-n1ccnc1	0
c1cc(-n2ccnc2)c2nc(-c3ccncc3)[nH]c2c1	0
CN1C=NC(=S)C1C[C@@H](C(=O)[O-])[NH+](C)C	0
C[C@@H]1[C@@H]([NH3+])CN1c1c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c2c1F	0
CN1C(=O)c2cc(Cl)ccc2[C@@]12CC(=O)NC2=O	0
Cc1cccc2c1C(=O)N(C)[C@]21CC(=O)NC1=O	0
O=c1[nH]c2cc(F)c(NCC3CCOCC3)cc2o1	0
O=c1[nH]c2cc(F)c(NCCC3CCOCC3)cc2o1	0
CC1SC(c2ccc(Cl)cc2)=NC1=O	0
O=C1N=C(c2cccnc2)SC1c1ccccc1	0
O=C1N=C(c2ccc(F)cc2)SC1c1ccccc1	0
Cc1cc([C@H](C)NC(=O)NO)c(C)s1	0
C[C@@H](NC(=S)Nc1cccc(C#N)c1)C(C)(C)C	0
CC(C)(C)NC(=S)Nc1ccc(C#N)cc1	0
OC[C@H](Cc1ccccc1)Nc1ncnc2nc[nH]c12	0
OC[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2-c1ccccc1	0
OC[C@H](Cc1ccccc1)Nc1ncnc2c1cnn2-c1ccccc1	0
COCc1nc2nccnc2c(=O)[nH]1	0
CNC(=S)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O	0
CCc1ncc2c(=O)[nH]c3ccncc3n12	0
O=c1[nH]c2cccnc2n2ccnc12	0
Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)ncn3)CC2)cc1	0
Cc1cc(N2CCN(S(C)(=O)=O)CC2)ncn1	0
Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1	0
Cc1ccccc1Nc1nccc2ccccc12	0
CCN1c2ccccc2NC(=O)c2cccnc21	0
CCCN1c2ncccc2C(=O)N(C)c2cccnc21	0
CCN1c2ncccc2C(=O)N(C)c2cccnc21	0
Cc1cc(=O)c(N)nn1-c1cc(C(F)(F)F)ccc1Cl	0
Cn1ncc(C23CCN(CC2)C3)n1	0
CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCC)c1=S	0
Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2ccsc2n1	0
C[C@H](c1ccc(Cl)cc1)N(O)C(N)=O	0
CCN1c2ncc(Cl)cc2C(=O)N(C)c2cccnc21	0
CCN1c2ncccc2NC(=O)c2cc(Br)cnc21	0
CCN1c2ncccc2C(=O)N(C)c2cc(N)cnc21	0
CC(=O)N1c2ncccc2C(=O)N(C)c2cccnc21	0
CN1C(=O)c2cccnc2N(CCF)c2ncccc21	0
Cc1ccc(S(=O)c2ccc(C)cc2)cc1	0
O=S(c1ccccc1)c1ccccc1	0
Nc1ccc(Br)cc1	0
Nc1ccc(I)cc1	0
C=C(F)Cc1ccc(O)cc1	0
O[C@@H](CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1	0
Nc1ncc([S@](=O)c2ccccn2)s1	0
Nc1ncc(Sc2ncc[nH]2)s1	0
CCN1C(=O)c2cc(N)cnc2Oc2cc(C)cc(C)c21	0
Cc1cccnc1-n1c(C)nc2ccccc2c1=O	0
CC1(C)OC(/C=C/c2ccnc3ccccc23)=CC1=O	0
CC1(C)OC(/C=C/c2cccnc2)=CC1=O	0
CC1(C)OC(/C=C/c2ccncc2)=CC1=O	0
FC(F)(F)c1nc2ccccc2n1Cc1ccccc1	0
O=C1Nc2ccccc2Sc2ccccc21	0
CCCN1C(=O)c2ccccc2Sc2ccccc21	0
CCOC(=O)Cn1nnnc1-c1ccco1	0
Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1	0
CCn1c(=O)c2nc[nH]c2n(CC)c1=O	0
c1ccc(Nc2nc3cccnc3s2)cc1	0
c1ccc(CNc2nc3cccnc3s2)cc1	0
CCCn1c(=O)c2nc[nH]c2n(C)c1=O	0
O=C(CCc1ccc(O)cc1)c1ccc(O)cc1O	0
c1ccc(-c2nc(C3OCCCO3)[nH]c2-c2ccccc2)cc1	0
CN1C(=O)C[C@](C)(c2ccccc2)C1=O	0
O=C1C=CC(=O)N1c1ccc(I)cc1	0
Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1	0
NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1	0
Nc1ccc(Oc2ccc(Cl)cc2)cc1	0
Nc1ccc(Oc2ccc(Oc3ccc(N)cc3)cc2)cc1	0
CS(=O)(=O)Nc1ccc(-c2ccc(N)cc2)cc1	0
CC(C)(C)C(=O)Nc1ccncc1[C@H](O)c1ccccc1	0
Nc1nc(Br)c2ncn([C@@H]3CC[C@H](CO)O3)c2n1	0
Cc1ccccc1-n1c(=S)[nH]c2cnc3ccccc3c21	0
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	0
O=C1NC2(CCCC2)C(=O)N[C@H]1Cc1ccccc1	0
CC(C)C[C@@H]1NC(=O)C2(CCCC2)NC1=O	0
CC(=O)C(=Cc1ccc(O)cc1)C(C)=O	0
CC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(C)=O	0
CC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(C)=O	0
Clc1ccc(C2=CC[N@@H+](CCCN3CCOCC3)CC2)cc1	1
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2)cc1	0
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)cc1	0
Oc1ccc(/C=C/c2ccccc2)cc1O	0
Oc1ccc(/C=C/c2ccc(O)c(O)c2)cc1	0
O=C1NCc2cccn2-c2sccc21	0
Cc1cc(O)cc2cc3c(c(O)c12)C(=O)CC[C@@H]3O	0
O=C(N[C@H]1CCCCNC1=O)c1cccnc1	0
Cn1c(=O)c(=O)n(C)c2ccccc21	0
CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](N2CCCCC2=O)[C@@H]1O	0
[NH3+][C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C1	0
Cc1ccc(COc2nc(N)nc3nc[nH]c23)cc1	0
Nc1cc(-c2ccc(Cl)cc2Cl)nc(N)n1	0
Nc1nnc(-c2ccc(N)c(Cl)c2Cl)c(N)n1	0
O=c1oc2cccnc2n1CCN1CCCCC1	0
CCn1nc(-c2cncnc2)c2ccccc2c1=O	0
Cc1nc2scc(C)n2c1CO	0
Nc1ncc(Br)c(N2CCOCC2)n1	0
O=C(C#Cc1ccco1)c1ccccc1	0
CCC[C@H](c1ccncc1)n1ccc2ccccc21	0
C[C@@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O	0
C[C@@H](C#Cc1ccco1)N(O)C(N)=O	0
c1ccc(N2CC[NH+](CCCc3cccnc3)CC2)nc1	1
C[C@@H](c1noc2ccc(Cl)cc12)n1ccnc1	0
N[C@H](Cc1ccccn1)c1ccco1	0
Cc1csc2[nH]c(=O)c(=O)[nH]c12	0
Clc1ccccc1N1CC[NH2+]CC1	1
CCC(CC)n1ccc2c3c(N)nc(N)nc3ccc21	0
C#Cc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O	0
CC1(C)C=C(n2ccccc2=O)c2cc(Cl)c(Cl)cc2C1=O	0
O=c1oc2ccc(Cl)cc2n1CCc1ccccn1	0
CC1(C)NC(=S)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O	0
Nc1ccc2oc(=O)ccc2c1I	0
CC[C@@H](O)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2	0
C[C@@H](O)c1cccc2c1S(=O)(=O)c1ccccc1O2	0
O=S1(=O)c2ccccc2Oc2cccc(CCO)c21	0
O=S1(=O)c2ccccc2Oc2cccc([C@H](O)CO)c21	0
C=C(Cl)c1c[nH]c(=O)[nH]c1=O	0
Nc1nc(N2CCCCC2)c(F)c(N)[n+]1[O-]	0
CN1C(=O)c2ccc(Br)cc2[C@]2(CC(=O)N2)C1=O	0
CCOC(=O)/C(=C/c1ccc(Cl)cc1)C(C)=O	0
CCOC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)C(C)=O	0
N#Cc1ccc(OCCc2c[nH]cn2)cc1	0
CCCc1nc(-c2cc(N)ccn2)c(-c2ccccc2C)s1	0
Cc1occ2c1C(=O)c1c(O)ccc(O)c1C2	0
O=C(N[C@H]1C[NH+]2CCC1CC2)c1c[n-]c2ccsc2c1=O	0
Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)sn1	0
Cn1ccc2cc(NC(=O)Nc3cncnc3)ccc21	0
O=c1[nH]c(=O)n([C@@H]2CCCO2)cc1F	0
O=C1NC(=S)NC1=Cc1ccc(O)c(Br)c1	0
Cc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)c1	0
O=C1OC(c2ccc(O)c(O)c2)=C/C1=C\c1ccc(O)c(O)c1	0
O=C(CCCC1CCCCC1)N1CCC(c2c[nH]cn2)CC1	0
O=C(CC1CCCCC1)N1CCC(c2c[nH]cn2)CC1	0
O=C(Cc1ccccc1)N1CCC(c2c[nH]cn2)CC1	0
O=C1Nc2ccc(Cl)cc2[C@](C#Cc2ccccc2)(C2CC2)N1	0
Cc1cc(CN=NC(N)=S)ncc1O	0
Cc1ccnc(CN=NC(N)=S)c1N	0
CC1(C)CC[C@@H](Cc2ccc(Cl)cc2)[C@]1(O)Cn1cncn1	0
CCc1cnc2c(=O)[nH]c3cc([N+](=O)[O-])c(-n4ccnc4)cc3n12	0
C1=C(c2cc3ccccc3s2)C2CCN1CC2	0
C1=C(c2nc3ccccc3s2)C2CCN1CC2	0
NC(=O)C1=C(c2ccccc2)c2ccccc2C1=O	0
NN1CCn2c1nc1ccccc12	0
Oc1ccc2c(c1)ncn2-c1ccccc1	0
Nc1ccccc1Nc1ccc(C(=O)c2ccccc2)cc1	0
O=c1cc2ccccn2c2cccc(Cl)c12	0
C#C[C@@H](O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1	0
Brc1ccccc1Oc1nc2ccccc2n2cncc12	0
CC(=O)C[C@H]1C=C(C)[C@H](CO)S1	0
Cc1ccc(Cl)cc1NC(=S)Nc1cnccn1	0
Cc1ccc(Cl)cc1NC(=S)Nc1ncccc1C	0
Cc1cc(O)cc2c1C(=O)c1c(ccc(CO)c1O)[C@]2(C)O	0
CC(C)Sc1nnc(N)s1	0
CC(=O)Nc1nnc(SC(C)C)s1	0
CN1CCN(c2cccc(Cl)n2)CC1	0
Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cn1	0
O=S(=O)(Nc1ccc(CO)nc1)c1ccc(Cl)cc1	0
Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cn1	0
NC(=S)CN1CCCC1=S	0
c1ccc2oc(-c3ncc[nH]3)cc2c1	0
CCN1c2ncc(-c3ccccc3)nc2C(N)=NS1(=O)=O	0
c1cnc2scc(Nc3ccncc3)c2c1	0
O=S(=O)(CCO)c1no[n+]([O-])c1-c1ccccc1	0
c1ccc2c(c1)cnn1c(-c3ccncc3)nnc21	0
S=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1	0
O=C1Nc2ccc(Cl)cc2[C@](C#CC2CC2)(C(F)(F)F)O1	0
O=C(Nc1cccnc1)N1CCc2cc3[nH]ccc3cc21	0
O=[N+]([O-])c1cc2nc(Cl)[nH]c2cc1Cl	0
O=c1[nH]cc(Br)c2ncccc12	0
O=c1[nH]c2c(n3ccnc13)Cc1ccc(Cl)cc1-2	0
O=c1[nH]c2c(n3ccnc13)Cc1c(-c3ccccc3)cccc1-2	0
O=c1[nH]c2c(n3ccnc13)Cc1cc(-n3ccnc3)ccc1-2	0
Cc1nc2[nH]c(=O)[nH]c2cc1-c1ccncc1	0
Cc1nc2[nH]c(=O)ccc2cc1-c1ccncc1	0
Cc1[nH]c2nc(=O)sc-2cc1-c1ccncc1	0
Ic1ccccc1OC1CCCC1	0
CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CCC2)cc1	0
Oc1ccc(Nc2ccc3ccccc3c2)cc1	0
CCCn1ncc2c1CCCC2=O	0
CC(C)n1ncc2c1CCCC2=O	0
O=C1CCCc2c1cnn2Cc1ccccc1	0
O=C1CCCc2c1cnn2-c1ccccc1	0
NC(=O)N(O)CC1CCCCC1	0
Cc1ccc(C2=NCCCC2)cn1	0
Cc1ncccc1C1=NCCCC1	0
Cc1ccncc1C1=NCCCC1	0
Cc1cncc(C2=NCCCC2)c1	0
NS(=O)(=O)c1ccc(-c2cscc2-c2ccc(F)cc2)cc1	0
Nc1nc2cc(Cl)ccc2[n+]([O-])n1	0
Nc1nc2ccc(Cl)cc2[n+]([O-])n1	0
O=C(Nc1ccccc1)Nc1ccc2ncccc2c1	0
O=C(Nc1cccnc1)Nc1cccc(C(F)(F)F)c1	0
Cc1cccc(NC(=O)Nc2cccnc2)c1	0
c1ccc(-c2cc(-c3ccncc3)cc(-c3ccccn3)n2)nc1	0
Cc1cc2ccccc2nc1-n1cncn1	0
CC(C)N1CNS(=O)(=O)c2cnccc21	0
C[C@H]1NS(=O)(=O)c2cnccc2N1C	0
CN1CNS(=O)(=O)c2cnccc21	0
CN1CNS(=O)(=O)c2ncccc21	0
CN1CCN(c2nc3ccccc3o2)CC1	0
c1ccc2c(c1)CCN(Cc1cc3ccccc3[nH]1)C2	0
c1ccc2c(c1)CN(Cc1cc3ccccc3[nH]1)C2	0
Cn1ccc(=O)n(Cc2ccoc2)c1=O	0
Nc1nc(OCc2ccc3ccccc3c2)c2[nH]cnc2n1	0
O=S1(=O)c2ccccc2N(O)C2=NCCN21	0
O=c1[nH]cnc2c(CC3CCCC3)c[nH]c12	0
Cc1ncsc1[C@H](O)c1ccco1	0
Cc1ncsc1[C@H](O)c1cccs1	0
Cc1ncsc1[C@H](O)c1ccsc1	0
Cc1ncsc1[C@H](O)c1ccccc1	0
Cc1ncsc1[C@H](O)c1ccc(F)cc1	0
O=c1[nH]c2c(n3ccnc13)C1(CC1)c1ccccc1-2	0
CCOc1ccc2c(=O)c(-c3ccccc3)coc2c1C	0
[NH3+][C@@H](CC(=O)c1ccccc1)C(=O)[O-]	0
Cc1ccccc1C(=O)C[C@H]([NH3+])C(=O)[O-]	0
[NH3+][C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[O-]	0
Nc1ccc(-c2cc(=O)c3c(N)c(F)c(CO)c(F)c3o2)cc1F	0
CN(C)c1ccc(-c2nc3ccccc3s2)cc1	0
Nc1ccccc1-c1nc2ccccc2s1	0
Fc1ccccc1-c1nc2ccccc2s1	0
c1ccc2sc(-c3ccncc3)nc2c1	0
c1ccc2sc(-c3ccc(N4CCCC4)cc3)nc2c1	0
O=[N+]([O-])c1cccc(-c2nc3ccccc3s2)c1	0
c1ccc2sc(-c3ccc(N4CCOCC4)cc3)nc2c1	0
Cc1cc(NC(=O)c2cnoc2C2CC2)ccc1Br	0
Cc1cc(NC(=O)c2cnoc2C2CC2)ccc1C(F)(F)F	0
C[C@H](Oc1ccc(Cl)cc1)c1ccnc2ncnn12	0
CN1C(=O)Cc2cnc(N3CCCCC3)nc21	0
Fc1ccc2c(/C=C/c3cccnc3)c[nH]c2c1	0
CC(C)(C)c1ccc(C#N)cc1NC(=O)Nc1ccccc1	0
Cc1nc(-c2ccccc2)c(-c2ccncc2)o1	0
O=c1[nH]c(-c2ccco2)cn2ccnc12	0
Cc1ccccc1CN1C(=O)C=CC1=O	0
O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O	0
NS(=O)(=O)c1cc([C@]2(O)NC(=O)c3ccccc32)ccc1Cl	0
CC1(C)C(C(=O)NCC(N)=O)C1(C)C	0
C[C@H](NC(=O)C1C(C)(C)C1(C)C)C(N)=O	0
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3cc[nH]c3)nc21	0
O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2c(O)cccc12	0
O=c1[nH]c(-c2ccccc2)nc2c(O)cccc12	0
Cc1cccc(Sc2cccc(N)c2C#N)c1	0
N#Cc1c(N)cccc1Sc1cccc(N)c1	0
Cc1cc(C)cc([S@@](=O)c2cccc(N)c2C#N)c1	0
N#Cc1c(N)cccc1Sc1cccc(F)c1	0
N#Cc1c(N)cccc1Sc1cc(Cl)cc(Cl)c1	0
N#Cc1c(N)cccc1S(=O)(=O)c1cccc(Br)c1	0
Cc1coc2cc3c(cc12)CCN3C(=O)Nc1cccnc1	0
O=C1N[C@H](Cc2ccncc2)C(=O)N1c1ccccc1	0
O=C1N[C@H](Cc2ccncc2)C(=O)N1Cc1ccccc1	0
Cc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C	0
Clc1cccc(Nc2ncnc3[nH]c4c(c23)CCCC4)c1	0
Oc1ccc(-c2cccc(-c3ccc(O)cc3)c2)cc1	0
Cc1ncc([N+](=O)[O-])n1CCSc1nc2ccccc2[nH]1	0
CC(C)(CO)CNc1cc(Cl)nc(N)n1	0
C=Cc1c(-c2ccccc2)nn(C)c(=O)c1N	0
ON=c1[nH]c2ccc(OC(F)(F)F)cc2s1	0
Nc1nc(OCc2ccccc2)c2[nH]c(N)nc2n1	0
CCOC1=C(Cl)C(=O)c2ccccc2C1=O	0
CCOC1=CC(=O)c2ccccc2C1=O	0
O=C1C(Cl)=C(N2CCOCC2)C(=O)c2ccccc21	0
Oc1cccc2c1CCC[C@H]2c1c[nH]cn1	0
CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC(=O)O2	0
Clc1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)cc1	0
Cc1n[nH]cc1-c1ccn2ccnc2c1	0
NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2CO)cc1	0
Nc1ccc(-c2nc3ccccc3s2)cc1Br	0
CCn1c(=O)c(N(C)C)nc2ccccc21	0
c1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1	0
C[N@H+]1CCC[C@@H]1COc1ccccn1	1
NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1	0
C#Cc1cccc(Nc2ncnc3ccc(N)cc23)c1	0
Nc1ncc([S@@](=O)c2ccc3ccccc3n2)s1	0
c1ccc(Nc2ncnc3[nH]nc(Nc4ccccc4)c23)cc1	0
O=C1Nc2c(C(F)(F)F)cccc2[C@]1(O)c1cc(Cl)ccc1O	0
CCN1c2ncccc2N(C)C(=S)c2oc3cccnc3c21	0
CN(C)c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1	0
Cc1ccsc1/C=C1/C(=O)Nc2ccccc21	0
COC(=O)[C@@H]1C(=O)C=C(Nc2cc(C)on2)C[C@H]1C	0
Clc1cccc(Nc2ncnc3[nH]ccc23)c1	0
CNc1oncc1C1=CCCN(C)C1	0
Cc1c(-c2ccccc2F)[nH]c(N)c1C#N	0
O=c1[nH]c2cc(F)ccc2n1-c1nc2cccc(F)c2o1	0
O=c1[nH]c2c(n1-c1nc3ccc(F)c(F)c3o1)CCCC2	0
Cc1cc(CC2=CCCN(C)C2)on1	0
COCc1cc(/C=C2\CN3CCC2CC3)on1	0
Cc1cccc(N(C)c2ncnc3n[nH]cc23)c1	0
CN1CCN(c2nc3ccccc3s2)CC1	0
CN1CCN(c2nccs2)CC1	0
O=C1CN(c2ccccc2Cl)C(=O)N1	0
O=C1CN(c2ccccc2F)C(=O)N1	0
Cc1[nH]c2ncnc(NCc3ccccc3)c2c1C	0
Cc1cc(C)cc(Sc2c(C)c[nH]c(=O)c2N)c1	0
CCc1c[nH]c(=O)c(N)c1Sc1cc(C)cc(C)c1	0
O=c1cc2ccccn2c2c(Cl)cccc12	0
CN(c1ccccc1)c1nc(N2CCOCC2)nc(-n2ccnc2)n1	0
O=c1[nH]c(N2CCCCC2)cn1-c1ccc(Cl)cc1	0
O=c1[nH]c(N2CCOCC2)cn1-c1cccc(Cl)c1	0
O=C1N=C(N2CCOCC2)CN1Cc1ccccc1	0
CC(C)(C)c1cc(/C=C2\CCOC2=O)cc2c1OCC2(C)C	0
C(=C1\C[NH+]2CCC1CC2)\c1ccccn1	1
O=C1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1	0
O=C1NC2(CCCCC2)C(=O)N1c1nccs1	0
CC[C@]1(c2ccccc2)NC(=O)N(c2ccncc2)C1=O	0
CCSC1=NCC(=O)N1c1cc(Cl)ccc1OC	0
CCSC1=NCC(=O)N1c1ccccc1C	0
CCSC1=NCC(=O)N1c1ccc(Cl)cc1C	0
CCN1CC(=O)N(c2c(Cl)cccc2Cl)C1=S	0
CCN1CC(=O)N(c2ccccc2C)C1=S	0
Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1	0
C=C1C[C@@](COc2cccc3cccnc23)(c2ccccc2)OC1=O	0
OCc1c(Cl)c(Cl)c(-c2ccc(O)cc2)c(Cl)c1Cl	0
CC(C)(C)c1cc(C(=O)c2ccoc2)cc2c1OCC2(C)C	0
CC(C)(C)c1cc(C(=O)c2cccs2)cc2c1OCC2(C)C	0
Cn1cccc1C(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2	0
Cc1nc(-c2cc(C(C)(C)C)c3c(c2)C(C)(C)CO3)no1	0
O=C1CCN2c3ccc(Cl)cc3CC[C@H]2C1	0
O=C1C=C2CCc3cc(Cl)ccc3N2CC1	0
CC1=C2CCc3cc(Cl)ccc3N2CCC1=O	0
O=C1C=CN2c3ccc(Cl)cc3CC[C@H]2C1	0
Cc1ccc2c(c1)CC[C@H]1[C@H](C)C(=O)C=CN21	0
C[C@@H]1C(=O)C=CN2c3ccc(Cl)cc3CC[C@@H]12	0
CCc1cccc(C)c1N1C(=O)CCN(CC)C1=S	0
Brc1ccsc1Cc1c[nH]cn1	0
Brc1csc(Cc2c[nH]cn2)c1Br	0
Brc1csc(Cc2c[nH]cn2)c1	0
CC(C)(C)C1CCC(C[NH3+])(CC(=O)[O-])CC1	0
CN1CCN(c2nsc3nc4ccccc4n23)CC1	0
O=C1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21	0
Nc1ccc(Cl)cc1NC(=O)Nc1cccc(C(F)(F)F)c1	0
Cc1nc(NC[C@H](C)c2ccccc2)sc1C	0
O=C1CCCCN1Cc1ccc[nH]1	0
CSc1ccccc1N1C(=O)Cc2ccccc2C1=O	0
Cc1ccc(C(=O)c2oc3nc(C)ccc3c2NC(N)=O)c(C)n1	0
CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2cccnc2)cc1	0
O=Cc1ccc(-c2ccc(-c3ccc(CO)s3)s2)s1	0
C[C@@H](Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1	0
Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN1CCCCC1	0
CN(C)Cc1csc(-c2ccccc2)n1	0
Cc1sc2[nH]c(=O)n(C3CCCCC3)c(=O)c2c1C	0
O=C1C[C@H](c2cccc(F)c2)Nc2cc3c(cc21)OCO3	0
Cc1ccc(C)c(Cc2nc(N)nc(Nc3ccc(C#N)cc3)n2)c1	0
C[C@@H](NC(=O)Nc1cc(F)cc(F)c1)C1CCCCC1	0
CC(C)(C)c1cc(C=C2C(=O)C=CC2=O)cc(C(C)(C)C)c1O	0
Cc1cc(Cl)ccc1NC(=S)Nc1c(C)nn(C)c1C	0
CC(C)C#C[C@@]1(C(F)(F)F)OCC(=O)Nc2ccc(Cl)cc21	0
O=C1CO[C@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1	0
O=C1C(Cl)=C(Nc2ccc(O)cc2)C(=O)c2cnccc21	0
NC(=S)c1ncn2ccc(=S)[nH]c12	0
Cc1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)cc1	0
CC(=O)Nc1ncc(SCc2nc(C)c(C)o2)s1	0
Brc1ccc(-c2cn3ccsc3n2)cc1	0
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1O	0
Fc1ccc(-c2c(-c3ccncc3)[nH]c3cccnc23)cc1	0
Fc1ccc(-c2c(-c3ccncc3)oc3cccnc23)cc1	0
Cc1c(CNc2ccccc2)cnc2nc(N)nc(N)c12	0
C[C@@H](O)[C@@H](O)c1ccc(C#N)nc1	0
Nc1nc(N)nc(C23CC4CC(CC(C4)C2)C3)n1	0
[NH3+]CC1(Cc2nnn[n-]2)CCCCC1	0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2CCC3)cc1	0
CC(C)(C)NC(=O)c1ccc(F)cc1	0
Cc1nnc2sc(COc3ccc(Cl)cc3)nn2c1=O	0
O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1	0
Clc1ccc(-c2c[nH]nc2N2CCOCC2)cc1	0
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2cccnc12	0
O=C(Nc1ccc(C(F)(F)F)cn1)c1cccc2cccnc12	0
O=c1[nH]c2ccc(C#CCN3CCC(Cc4ccccc4)CC3)cc2[nH]1	0
Cc1sc(C)c2c1CCC[C@H]2c1c[nH]cn1	0
C=C1C[C@@](COc2cc(=O)oc3ccccc23)(c2ccccc2)OC1=O	0
C=C1C[C@@](C)(COc2ccc3ccc(=O)oc3c2)OC1=O	0
CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cc(C)cc(C)c1	0
Nc1ccc(C2N=NC(=S)Cc3cc4c(cc32)OCO4)cc1	0
CC[C@]1(c2cccs2)Oc2ccccc2-n2cccc2C1=O	0
CC[C@]1(c2cccs2)Oc2cccnc2-n2cccc2C1=O	0
Nc1nnc(-c2ccc3ccccc3c2)o1	0
c1ccc(-c2nsc(N3CCN(c4ccccn4)CC3)n2)cc1	0
O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3)cc2c1	0
O=c1[nH]c(-c2ccccc2)nn1-c1ccccc1Cl	0
CSc1ccc(NC(=O)Nc2ccnc3cccnc23)cc1	0
Clc1c[nH]c2ncnc(N3CCCCC3)c12	0
CC1(C)CCCN(c2ncnc3[nH]ccc23)C1	0
CC(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1	0
CCC[C@@](F)(C(N)=O)[C@H](C)CC	0
Cc1ncc([N+](=O)[O-])n1CCOC(c1ccccc1)c1ccccc1	0
C[C@H]1CC(=O)NN=C1c1ccc2c(c1)NCCO2	0
C[C@H]1CC(=O)NN=C1c1ccc2c(c1)NC(=O)[C@H](C)O2	0
C[C@H]1CC(=O)NN=C1c1ccc2c(c1)N(C)C(=O)[C@H](C)O2	0
Cc1cccc(C)c1NC(=O)c1ccc(C#N)cc1	0
C[C@@H](c1cc2ccccc2o1)N(O)C(N)=O	0
Cn1c(-c2ccccc2)nnc1S(C)(=O)=O	0
CCS(=O)(=O)c1nnc(-c2ccccc2)n1C	0
S=c1[nH]ccn1Cc1ccco1	0
c1ccc2[nH]c(CSc3ncnc4ccccc34)nc2c1	0
CN(C)c1ccccc1CSc1ncnc2ccccc12	0
c1ccc2nc(CSc3ncnc4ccccc34)ccc2c1	0
O=c1c2ccccc2nc(SCc2cccnc2)n1-c1ccccc1	0
S=c1[nH]c2ccccc2n1Cc1ccccn1	0
CC1(C)C[C@@H](n2ccccc2=O)c2cc(C#N)ccc2O1	0
CC1(C)C=C(n2ccncc2=O)c2cc(C#N)ccc2O1	0
C[C@@H](c1ccc(-c2ccccc2)cc1)N(O)C(N)=O	0
O=C(c1cccnc1)N1N=CC[C@H]1c1ccco1	0
Cn1cnc2c(Nc3ccccc3F)ncnc21	0
Cn1cnc2c(NCc3ccccc3)ncnc21	0
Cn1cnc2c(NCCc3cccnc3)ncnc21	0
Cn1cnc2c(NCCc3ccsc3)ncnc21	0
CCC(CC)Nc1ncnc2c1ncn2C	0
C[C@@H]1CN(c2cccc(Cl)c2)NC(=O)N1	0
Cc1cccc(N2CCNC(=O)N2)c1	0
S=C1NCCN(c2ccccc2)N1	0
COc1c(C)cnc(CSc2nccn2C)c1C	0
C[C@H]1SC(=O)N=NC1c1ccc2c(c1)C1(CC1)C(=O)N2	0
O=C([C@H]1CSCN1C(=O)/C=C/c1ccccc1)N1CCCC1	0
COc1ccc([C@H]2COc3c(ccc(O)c3O)C2)cc1OC	0
Nc1ccn(-c2ccc(Cl)cc2)c(=O)c1	0
C[C@H]1CC2=CC(=O)CCN2c2ccc(Cl)cc21	0
CSc1nc(Cl)c(C#N)c(SC)n1	0
O=c1c2ccccc2oc2nc3n(c(=O)c12)CCCS3	0
O=c1c2cc([N+](=O)[O-])ccc2oc2nc3n(c(=O)c12)CCCS3	0
N=C1Nc2ccc(Cl)cc2[C@H]2CCC[C@@]12F	0
COc1cc2ncc(N[C@H]3C[C@@H]4CC[C@H]3C4)nc2cc1OC	0
[NH3+]C[C@H](CC(=O)[O-])C1CCCC1	0
CN1C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1	0
Fc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1	0
CC[C@H]1CCNc2cc3oc(=O)cc(C(F)(F)F)c3cc21	0
O[C@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1	1
CC(C)(C)NC1=NS(=O)(=O)c2sc(Cl)cc2N1	0
CCC(C)(C)NC1=NS(=O)(=O)c2sc(Cl)cc2N1	0
CNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccccc1	0
NC(=O)c1cccc2[nH]c(-c3ccc(O)cc3)nc12	0
C[C@@H](NC(=S)Nc1ccc(Br)cn1)C1CCCCC1	0
C[C@@H](NC(=S)Nc1ccc(Cl)cn1)c1ccccc1	0
Cc1cccc(C)c1[C@H](C#N)C=O	0
O=C1NCCc2c(-c3ccccc3)[nH]c3cccc1c23	0
NC(=O)n1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1	0
Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1	0
Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccsc2)cc1	0
Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1	0
Cc1cccc(C)c1NC(=O)c1cnc(Nc2cccnn2)s1	0
Cc1cnc(NC(=O)C(c2ccccc2)c2ccccc2)o1	0
C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@H]2O	0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)C2=O	0
O=C1CCCN1CCCN1CCN(c2ccc(F)cc2)CC1	0
O=c1[nH]c2ccc(-c3cccc(Cl)c3)cc2n1Cc1ccccc1	0
N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3)c1	0
[NH3+]C[C@H](CC(=O)[O-])Cc1ccsc1	0
Nc1cc(Cl)cc2[nH]c(Cc3nc4ccccc4[nH]3)nc12	0
Cc1ccc(NC(=S)[C@@H](C#N)c2nc3cccnc3n2C)cc1	0
Cn1c(C(F)(F)F)nc2ccc(Cl)cc21	0
N#Cc1c(N2CCc3ccccc3CC2)nc2n(c1=O)CCC2	0
Nc1cccc2c1nc1c3c(nccc32)-c2ncccc2C1=O	0
Nc1ccc2nc3c4c(nccc4c2c1)-c1ncccc1C3=O	0
Cc1cc(NC(=O)Nc2cc(C3CC3)[nH]n2)n(C)n1	0
O=C1NCCn2c(-c3ccccc3)nc3cccc1c32	0
c1ccc2c(c1)nc(NC[C@@H]1CCCO1)c1cncn12	0
COc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2)cc1	0
Clc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1	0
c1cncc(-c2cnn3cc(-c4ccncc4)cnc23)c1	0
c1cc(-c2cnc3c(-c4ccsc4)cnn3c2)ccn1	0
S=C(NCc1ccco1)Nc1ccc2[nH]ccc2c1	0
C[C@@H]1C(c2ccc(F)cc2)=C(c2ccc(S(C)(=O)=O)cc2)ON1C	0
Cc1cccc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1	0
S=C(NC1CCCCC1)N[C@H]1CCc2[nH]cnc2C1	0
CC1(C)CCC(C)(C)c2cc(-c3csc(CC#N)n3)ccc21	0
Cn1nc2c(c1C(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1-2	0
Fc1ccc(-c2n[nH]cc2-c2ccc(F)c(C(F)(F)F)c2)cc1	0
O=c1sn(Cc2ccccc2)c(=S)n1Cc1ccccc1	0
CC(C)Oc1ccccc1C(=O)Nc1ccnc2n[nH]cc12	0
Cc1csc([N-]S(=O)(=O)c2cccc(Cl)c2C)n1	-1
CC(C)(O)[C@H]1OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1O	0
C=CC[N+](C)(C)c1ccccc1[O-]	0
CC(=O)N(C)c1ccc(/N=C/c2ccc(C(C)C)cc2)cc1	0
CC(=O)N(C)c1ccc(/N=C/c2ccc(Cl)cc2)cc1	0
CC(=O)CSc1nc(C(C)(C)C)cc(C)c1C#N	0
O=[S@](c1nc2ccccc2s1)N1CCOCC1	0
S=C(SN1CCOCC1)N1CCOCC1	0
S=C(SNC1CCCCC1)N1CCOCC1	0
CC(C)(C)NSC(=S)N1CCOCC1	0
O=C1c2ccccc2C(=O)N1CSc1nc2ccccc2s1	0
FC(F)(F)c1nc(-c2nonc2Nc2ccccc2)no1	0
CCCN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1	0
O=C(c1nsc(Cl)c1Cl)N1CCCCC1	0
CC(C)Nc1nc(NC(C)C)nc(N(C)C(N)=O)n1	0
NC(=O)C1(C(N)=O)O[C@@H]1c1ccc(Br)cc1	0
O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccco1	0
Cc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)o1	0
O=C1SC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccco1	0
Cc1sc(NC(=O)/C=C/c2ccco2)c(C(N)=O)c1C	0
C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccco3)c2C#N)C1	0
NC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2	0
NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCCC2	0
Cc1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)o1	0
O=C(/C=C/c1ccco1)Nc1cccnc1Cl	0
CCOC(=O)Cn1nc(C(F)(F)F)cc1C	0
CC(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1	0
S=C(CC(=S)N1CCOCC1)N1CCOCC1	0
Cc1cc(C)nc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1	0
Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1	0
Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1	0
O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccco1	0
CSc1nc(N)nc(S[C@@H]2C=CCCC2)c1C#N	0
NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2	0
Cc1cc(C)nc(NC(=O)c2sc3ccccc3c2Cl)c1	0
N#Cc1c(/N=C/c2cccc(C(F)(F)F)c2)sc2c1CCCC2	0
CCOc1cccc2c1NC(C)(C)c1ssc(=S)c1-2	0
O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccccc1	0
C/C(=N\NC(=S)Nc1cccc(C)c1)c1ccc(C)cc1	0
CCN(CC)c1ccc(/C=N/NC(=S)Nc2cccc(C)c2)cc1	0
CCC(N=NC(=S)Nc1cccc(C)c1)c1ccccc1	0
Cc1cccc(NC(=S)N/N=C/c2ccccc2)c1	0
CC(=O)c1nnn(C2CCCCC2)c1NC1CCCCC1	0
CC/C(=N/NC(=S)Nc1ccc(C)cc1)c1ccccc1	0
O=C(/C=C/c1ccccc1)Nc1ccc(N2CCCCC2)cc1	0
Cc1ccc(C2=N/C(=C/C=C/c3ccccc3)C(=O)O2)cc1	0
O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccco1	0
Clc1cccc(Cl)c1/C=N/n1nnnc1Nc1ccccc1	0
O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(Cl)cc1	0
O=C1OC(c2ccccc2F)=N/C1=C/c1cccc(F)c1	0
O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccc(Cl)cc1	0
CSc1ccc(/C=N/n2nnnc2Nc2ccccc2)cc1	0
CC(C)(C)c1ccc(C2=N/C(=C/c3ccco3)C(=O)O2)cc1	0
CN(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1	0
COc1cc(/C=N/n2nnnc2Nc2ccccc2)cc(OC)c1O	0
O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc2ccccc2c1	0
Fc1ccc(/C=N/n2nnnc2Nc2ccccc2)cc1	0
CC(C)(C)c1ccc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1	0
NC(=S)N/N=C/c1ccc(Cl)cc1Cl	0
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)c(C#N)c1N	0
NC(=S)N=NCc1cccc([N+](=O)[O-])c1	0
N#Cc1c(N)c(C#N)c(-c2ccccc2)c2c1CCCC2	0
N#Cc1c(-c2ccccc2)cc(-c2ccco2)c(C#N)c1N	0
Nc1ccccc1Oc1ccccc1Br	0
CC(=NNC(=O)c1cccnc1)c1ccc(O)cc1	0
CC(=O)CC(=O)Nc1nccs1	0
Cc1ccn(Cc2ccccn2)c(=N)c1	0
C=C1C(=O)O[C@H]2C[C@@]3(C)CCCC(=C)[C@@H]3C[C@@H]12	0
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	0
Cc1cc([C@@H]([NH3+])C(=O)[O-])c(C)s1	0
CCN(CC)S(=O)(=O)c1ccc(C)cc1	0
O=C1c2ccccc2C(=O)C1(Br)c1ccccc1	0
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1	0
S=C(Nc1ccccc1)c1ccccc1	0
Cc1ccc(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	0
S=C(Nc1ccccc1)N1CCOCC1	0
Clc1ccc(C2=NN=C(N3CCCC3)SC2)cc1	0
O=[N+]([O-])c1cnn(C2=CNCC[NH+]=C2)c1	1
Cc1nn(-c2ccccc2)c2nc3c(nc12)c(C)nn3-c1ccccc1	0
C[C@@H](CC(=O)[O-])[NH2+][C@H](C)c1ccccc1	0
CC[C@@H](C(=O)Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1	0
O=C(c1ccc(O)cc1)c1ccc(O)cc1	0
O=C1O[C@@H]([C@@H]2OC(=O)c3ccccc32)c2ccccc21	0
O=C1N[C@@H](SCc2ccccc2)Nc2ccccc21	0
CC(=O)c1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1	0
O=C(Nc1ccc(Cl)cc1)c1cc[nH]n1	0
Oc1ccc(Br)cc1/C=N/n1cnnc1	0
Clc1ccccc1/C=N/n1cnnc1	0
Cc1ccc(/C=N/n2cnnc2)s1	0
Oc1c(Br)cc(Br)cc1/C=N/n1cnnc1	0
FC(F)(F)c1ccc(/C=N/n2cnnc2)cc1	0
Cc1ccc(/C=N/N2CCN(c3ccccc3)CC2)s1	0
CC(=C/c1ccco1)/C=N/N1CCN(c2ccccc2)CC1	0
CSc1ccc(C2Nc3cccc4cccc(c34)N2)cc1	0
O=[N+]([O-])c1ccc(C2Nc3cccc4cccc(c34)N2)cc1	0
CSc1ccc(C=Nn2c(-c3ccccc3)n[nH]c2=S)cc1	0
S=C1N=NC(c2ccccc2)N1N=Cc1c[nH]c2ccccc12	0
FC(F)(F)c1ccccc1C=NN1C(=S)N=NC1c1cccnc1	0
CC(C=NN1C(=S)N=NC1c1ccco1)=Cc1ccco1	0
O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1	0
O=C1CCN(C(=O)C=Cc2ccccc2)c2cc3ccccc3cc21	0
Nc1nc(CSc2ccccn2)nc(Nc2ccccc2)n1	0
Cc1ccccc1Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1	0
Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)cc1	0
O=C1[C@@H](Cc2c[nH]cn2)NC(=S)N1Cc1ccccc1	0
CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(C)C	0
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1	0
CCN(CC)c1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1	0
Cc1cc2c(c(Sc3ccc(C(C)(C)C)cc3)n1)C(=O)OC2	0
CCSc1nc2ccccc2n1Cc1ccccc1F	0
CC[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C	0
NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	0
CC1=C[C@H](C)[C@@H]([C@H]2Nc3ccccc3C(=O)N2c2ccccc2C)CC1	0
CC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12	0
O=C(Nc1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2)c1ccco1	0
O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccccc3)c21	0
Cc1cc(S(=O)(=O)N2CCCCCC2)c(C)cc1Br	0
O=C(CSc1nnc2n1CCCCC2)Nc1ccc(F)cc1	0
Nc1cc(=O)nc(SCc2nc3ccccc3[nH]2)n1-c1ccccc1	0
Cc1ccc(C(C)C)c(OCCn2c(C)c(C#N)c3ccccc32)c1	0
Nc1ncnc2nc(Sc3ncnc4ccccc34)[nH]c12	0
Cc1c(C#N)c2ccccc2n1CC(=O)N1CCOCC1	0
Nc1ncnc2nc(SCc3nc4ccccc4[nH]3)[nH]c12	0
c1ccc2[nH]c(CCSc3nc4ccccc4[nH]3)nc2c1	0
c1ccc(CSc2nc3ccccc3n2C2CCCCC2)cc1	0
O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccnc1	0
CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cn2)cc1	0
O=C(/C=C/c1ccco1)Nc1ccc(N2CCCC2)cc1	0
O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)cc1	0
Cc1cc(O)ccc1Nc1cc(C)c(C#N)c2nc3ccccc3n12	0
c1ccc(Cn2c(SC3CCCCC3)nc3ccccc32)cc1	0
Cc1cc(C)c(S(=O)(=O)N(C)C)c(C)c1	0
Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1C	0
S=c1[nH]nc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1	0
N#CCc1nc(-c2ccc(Oc3ccccc3)cc2)cs1	0
O=S(=O)(Nc1ncccn1)c1ccccc1	0
CC[C@@H](CO)NS(=O)(=O)c1ccc(NC(C)=O)cc1	0
O=S(=O)(c1ccccc1)N1CCc2ccccc21	0
CN(C1CCCCC1)S(=O)(=O)c1ccccc1	0
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	0
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1	0
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C)c(C)c1	0
O=S(=O)(Nc1ccccc1)c1ccc(F)cc1	0
Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1	0
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1	0
Cc1ccc(NS(C)(=O)=O)c(C)c1	0
O=C(Nc1ccc(F)cc1)c1ccccc1	0
N#CCN(CC#N)C(=O)c1ccc(Br)cc1	0
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccnc1	0
O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1	0
O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1	0
O=C(Nc1cc(Cl)cc(Cl)c1)c1cccnc1	0
O=C(Nc1cccc(Cl)c1Cl)c1cccnc1	0
O=C(Nc1ccc(F)cc1)c1cccnc1	0
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccnc1	0
Cc1ccc(NC(=O)c2cccs2)cc1C	0
C=CCN(CC=C)C(=O)c1cccs1	0
C[C@@H](NC(=O)c1cccs1)c1ccccc1	0
O=S(=O)(c1ccccc1)N(CCO)Cc1ccccc1	0
O=S(=O)(c1ccccc1)N(CCO)C1CCCCC1	0
N#CCN(CC#N)S(=O)(=O)c1ccccc1	0
O=S(=O)(NCc1ccccn1)c1ccccc1	0
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	0
N#CCN(CC#N)S(=O)(=O)c1ccc(Cl)cc1	0
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1	0
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1	0
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1	0
CCN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1	0
C=CCN(CC=C)S(=O)(=O)c1ccc(C)cc1	0
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccn2)cc1	0
Cc1ccc(S(=O)(=O)NC2CCCCCC2)cc1	0
Cc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1	0
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2F)c(C)c1	0
Cc1cc(C)c(S(=O)(=O)N(CCO)Cc2ccccc2)c(C)c1	0
CCN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C	0
Cc1cc(C)c(S(=O)(=O)N(CC#N)CC#N)c(C)c1	0
Cc1cc(C)c(S(=O)(=O)NCC(C)C)c(C)c1	0
CC[C@@H](C)NS(=O)(=O)c1c(C)cc(C)cc1C	0
Cc1cc(C)c(S(=O)(=O)NCc2ccccn2)c(C)c1	0
Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCO2)c(C)c1	0
Cc1cc(C)c(S(=O)(=O)N2CCc3ccccc3C2)c(C)c1	0
O=S(=O)(Nc1ccccc1F)c1ccc(F)cc1	0
O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1	0
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1	0
CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1	0
O=S(=O)(c1ccc(F)cc1)N(CCO)Cc1ccccc1	0
CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1	0
C=CCN(CC=C)S(=O)(=O)c1ccc(F)cc1	0
N#CCN(CC#N)S(=O)(=O)c1ccc(F)cc1	0
C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1	0
O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)c1ccccn1	0
O=S(=O)(NC[C@@H]1CCCO1)c1ccc(F)cc1	0
O=S(=O)(NC1CCCCCC1)c1ccc(F)cc1	0
CCN(c1ccccc1C)S(=O)(=O)c1ccc(F)cc1	0
C=CCN(CC=C)S(=O)(=O)c1cc(Cl)ccc1Cl	0
N#CCN(CC#N)S(=O)(=O)c1cc(Cl)ccc1Cl	0
CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl	0
CS(=O)(=O)Nc1cccc(C(F)(F)F)c1	0
CS(=O)(=O)Nc1cc(Cl)ccc1Cl	0
Cc1c(Cl)cccc1NS(C)(=O)=O	0
Cc1ccc(NS(C)(=O)=O)cc1Cl	0
CS(=O)(=O)Nc1cccc(Cl)c1Cl	0
CS(=O)(=O)Nc1ccc(Cl)cc1Cl	0
CCOc1ccccc1NS(C)(=O)=O	0
CC[C@@H](C)c1ccc(NS(C)(=O)=O)cc1	0
CS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1	0
CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1	0
O=C(Nc1ccccc1Cl)c1cccnc1	0
O=C(Nc1ccc(Cl)cc1)c1cccnc1	0
O=C(Nc1ccc(Br)cc1)c1cccnc1	0
CCN(CC)S(=O)(=O)c1c(C)cc(C)cc1C	0
Cc1cc(C)c(S(=O)(=O)NC(C)C)c(C)c1	0
CC(C)(C)NS(=O)(=O)c1ccc(F)cc1	0
CCN(CC)S(=O)(=O)c1ccc(F)cc1	0
Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1	0
CS(=O)(=O)NC(c1ccccc1)c1ccccc1	0
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1	0
Cc1cc(C)c(S(=O)(=O)NCc2ccncc2)c(C)c1	0
Cc1cc(C)c(S(=O)(=O)N2CCc3ccccc32)c(C)c1	0
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1	0
CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1Cl	0
O=C(Nc1ccc(F)cc1F)c1cccnc1	0
O=C(Nc1cccnc1)c1ccc(C(=O)Nc2cccnc2)cc1	0
Cc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1	0
O=S(=O)(Nc1cccc(F)c1)c1ccc(F)cc1	0
O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(F)cc1	-1
C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1	0
O=S(=O)(Nc1ncccn1)c1ccc(F)cc1	0
O=S(=O)([N-]c1cccnc1)c1cc(Cl)ccc1Cl	-1
Cc1cc(Br)ccc1NS(C)(=O)=O	0
CS(=O)(=O)Nc1ccc(F)cc1F	0
C=CCN(CC=C)C(=O)c1ccccc1F	0
N#CCN(CC#N)C(=O)c1ccccc1F	0
N#CCN(CC#N)C(=O)c1ccc(F)cc1	0
CN(C(=O)c1ccc(F)cc1)C1CCCCC1	0
Cc1ccccc1NC(=O)c1ccc(F)cc1	0
O=S(=O)(Cc1ccccc1)NCc1ccccn1	0
O=S(=O)(Cc1ccccc1)[N-]c1nc2ccccc2s1	-1
N#CCN(CC#N)S(=O)(=O)c1ccc(Br)cc1	0
O=S(=O)(Nc1ccncc1)c1ccc(Br)cc1	0
O=S(=O)(Nc1cccnc1)c1ccc(Br)cc1	0
O=C(Nc1cc(Cl)ccc1Cl)c1ccco1	0
O=C(Nc1ccc(I)cc1)c1ccco1	0
O=C(c1ccco1)N1CCN(c2cccc(Cl)c2)CC1	0
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccco1	0
N#CCN(CC#N)C(=O)c1ccc(-c2ccccc2)cc1	0
CC(=O)Nc1ccc(C(=O)NC2=NCCS2)cc1	0
CC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1	0
O=C(CC(c1ccccc1)c1ccccc1)Nc1nccs1	0
CCOc1ccccc1C(=O)N(CC#N)CC#N	0
Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)nc1	0
CC(=O)Nc1ccc(C(=O)Nc2ccc(C)cn2)cc1	0
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1	0
O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(Br)cc1	0
Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C	0
NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1	0
NS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1	0
CS(=O)(=O)Nc1ccc(C#N)c(Cl)c1	0
O=S(=O)(NCc1ccncc1)c1ccc(Br)cc1	0
CC(=O)Nc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1	0
CC(C)(C)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1	0
CCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1	0
CCC[C@@H](C)NS(=O)(=O)c1ccc(C)cc1	0
CCC[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1	0
Cc1nc2ccccc2n1S(C)(=O)=O	0
CC(C)CCNS(=O)(=O)c1ccc(Br)cc1	0
CN(C)S(=O)(=O)N1CCN(c2ccccc2)CC1	0
N#CCN(CC#N)C(=O)Cc1ccc(Br)cc1	0
N#CCN(CC#N)C(=O)[C@H](Sc1ccccc1)c1ccccc1	0
O=C(Cc1cccs1)N1CCN(c2cccc(Cl)c2)CC1	0
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cn1	0
O=C(Cc1ccc(Br)cc1)Nc1ccccc1F	0
CN(C)S(=O)(=O)Nc1ccc(Cl)c(Cl)c1	0
O=C(Cc1ccc(Br)cc1)Nc1nccs1	0
O=C(Cc1cccs1)N1CCC(Cc2ccccc2)CC1	0
CN(C)S(=O)(=O)N1CCC(Cc2ccccc2)CC1	0
CN(C)S(=O)(=O)Nc1ccc(Br)cc1	0
Cc1cccc(NS(=O)(=O)N(C)C)c1C	0
C[C@@H](NS(=O)(=O)N(C)C)c1ccccc1	0
CC(C)CC(=O)N1CCN(c2ccc(F)cc2)CC1	0
CC[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1	0
O=C(Cc1ccc(Cl)cc1)NCc1cccnc1	0
O=C(Cc1ccc(Br)cc1)Nc1ccc(F)cc1	0
O=C(Cc1ccc(Cl)cc1)Nc1ccccn1	0
NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1	0
N#Cc1ccccc1NC(=O)Cc1ccc(Br)cc1	0
NC(=O)c1ccccc1NC(=O)Cc1ccc(Br)cc1	0
C[C@@H]1CN(C(=O)Cc2cccs2)C[C@@H](C)O1	0
N#Cc1ccc(NC(=O)Cc2cccs2)cc1	0
NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1	0
NC(=O)c1ccc(NC(=O)Cc2cccs2)cc1	0
O=C(Nc1cccnc1)[C@@H](Sc1ccccc1)c1ccccc1	0
Cc1ccccc1NS(=O)(=O)N(C)C	0
Cc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(F)cc2)n1	0
Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1	0
Cc1ccccc1NC(=O)OCCn1c([N+](=O)[O-])cnc1C	0
CC1(C)CC(=O)C2=C(C1)OC(N)=C([N+](=O)[O-])[C@@H]2c1ccccc1Cl	0
Cn1cc(Br)c(C(=O)Nc2ccccn2)n1	0
N#Cc1c(NC(=O)c2c(F)cccc2F)sc2c1CCCC2	0
Cc1ccc(C2=NNC(=S)C3=CNc4ccccc4N32)cc1	0
O=C(Nc1c(Cl)cccc1Cl)c1ccccc1[N+](=O)[O-]	0
NS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1	0
O=C(NC1CC1)c1cc(C(=O)NC2CC2)cc([N+](=O)[O-])c1	0
NC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)C1=C(CCC1)C2	0
Cc1coc(C)c1C(=O)C[C@@]1(O)C(=O)N(C)c2ccccc21	0
Cc1ccc(Nc2cc(C)nc(Nc3ccc(C)cc3C)n2)c(C)c1	0
Cc1occc1-c1nnc(-c2ccc([N+](=O)[O-])cc2Cl)o1	0
Cc1ccc(NC(=O)CSc2nncn2C)cc1C	0
O=C(CSc1ccccn1)Nc1ccc(F)c(Cl)c1	0
O=C(CSc1ccccn1)Nc1cccc(C(F)(F)F)c1	0
O=C(CSc1ccccn1)Nc1ccc(Cl)c(Cl)c1	0
O=C(CSc1ccccn1)Nc1ccc(Cl)c(C(F)(F)F)c1	0
Cn1nnnc1SCC(=O)Nc1cccc(C(F)(F)F)c1	0
O=C1C[C@@H](Sc2ccccn2)C(=O)N1c1ccc(F)cc1F	0
Cn1nnnc1SCC(=O)Nc1ccc(F)c(Cl)c1	0
CC(C)(C)c1ccc(C(=O)C[C@@H](C(=O)[O-])[NH+]2CCCCC2)cc1	0
Cc1ccc(NC(=O)CSc2nncn2C)cc1	0
O=C(Nc1ccc(F)c(Cl)c1)C(=S)NCc1ccco1	0
CC(C)(C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1F	0
O=[N+]([O-])c1ccc(SCc2ccco2)c(C2SCCS2)c1	0
CC[C@@H](C)c1ccc(NC(=O)CSc2nncn2C)cc1	0
CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(C)s2)cc1	0
CC[C@@H](C)c1ccc(NC(=O)CSc2nccn2C)cc1	0
CC(C)(C)C1CCC(=NOC(=O)c2ccc([N+](=O)[O-])cc2)CC1	0
Cc1ccc(S[C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)cc1	0
Cn1ccnc1SCC(=O)Nc1ccccc1C#N	0
O=C(Oc1ccc(C2SCCS2)cc1)c1ccc([N+](=O)[O-])cc1	0
O=C1CCC(=O)N1c1ccc(F)cc1F	0
Cc1cc(C)cc(NC(=O)CSc2nncn2C)c1	0
O=C(CSc1ccccn1)Nc1ccc(F)cc1	0
CC(C)(C)C1CCC(=NOC(=O)c2cccc([N+](=O)[O-])c2)CC1	0
CCC[C@H](Nc1ccc(C(F)(F)F)cc1)n1nnc2ccccc21	0
O=C(CCC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1	0
Cn1cnnc1SCC(=O)Nc1cc(F)ccc1F	0
O=C(CSc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1	0
O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1	0
CC(C)c1ccc(NC(=O)CSc2ccc(F)cc2)cc1	0
Cc1nnc(NC(=O)Cc2ccc(Br)cc2)s1	0
CC[C@H](C)C(=O)N1CCC(C(=O)OC)CC1	0
Cc1ccc(-c2nc3sc4nc5ccccc5nc4n3n2)cc1	0
CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(Cl)cc1	0
O=C([O-])[C@@H]1C[NH2+][C@H](c2cc(Cl)ccc2O)S1	0
Fc1ccc(CSc2ncnc3[nH]cnc23)c2ccccc12	0
O=c1occ(CO)c([O-])c1C[N@@H+]1CCc2ccccc2C1	0
O=C(/C=C/c1ccc(CCO)cc1)N1CCN(c2ccccc2)CC1	0
O=[N+]([O-])c1cc(NCn2nnc3ccccc32)ccc1Cl	0
CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1cccnc1	0
O=C(c1ccccc1-c1nc2ccccc2[nH]1)N1CCOCC1	0
CCCc1cc(=O)n2c3c(sc2n1)C(=O)N(c1ccccc1)C3=O	0
CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1	0
CN(/N=C/c1ccccc1F)C1=NS(=O)(=O)c2ccccc21	0
O=[N+]([O-])c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)s1	0
O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccco1	0
CC(=O)Nc1ccc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1	0
O=S(=O)(Nc1ccccc1Br)c1ccccc1	0
Cc1nn(-c2ccccc2)c(C)c1/N=C/c1c(O)ccc2ccccc12	0
O=S(=O)(NCc1cccnc1)c1cccs1	0
CCOc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1O	0
Cc1ccc(-c2nnc3s/c(=C\c4ccc(C)o4)c(=O)n23)cc1	0
CCOc1ccc(NCn2nc(-c3ccco3)oc2=S)cc1	0
Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1	0
CC(C)(C)C(=O)CSc1ncnc2[nH]cnc12	0
Cc1sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C#N)c1C	0
CCOC(=O)c1c(N)sc(C(=O)Nc2ccc(C)cc2C)c1C	0
O=C(N[C@@H](c1ccccc1)n1nnc2ccccc21)c1ccccc1	0
COc1ccccc1/C=C1\C(=O)ON=C1c1ccccc1[N+](=O)[O-]	0
O=C1ON=C(c2ccccc2[N+](=O)[O-])/C1=C/c1ccccc1F	0
CN(C)c1ccc(/C=C2\C(=O)ON=C2c2cccc3ccccc23)cc1	0
O=C1ON=C(c2ccccc2)C1=CNc1cc(Cl)ccc1Cl	0
C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O	0
CC(C)Cc1ccc(/C=C/C(=O)N2CCOCC2)cc1	0
[NH3+][C@@H](Cc1ccc(Br)cc1)C(=O)[O-]	0
CC(C)=CCNc1ncnc2nc[nH]c12	0
O=Cc1nn(Cc2c(Cl)cccc2Cl)cc1-c1ccccc1	0
O=C(Nc1ccccc1)c1ccn(C(=O)c2cccc(Cl)c2)n1	0
O=C(c1ccn(C(=O)Nc2cccc(Cl)c2)n1)N1CCOCC1	0
Clc1ccc(COc2ccc(CNn3cnnc3)cc2)cc1	0
Fc1ccc(CSc2nnc(SCc3ccccc3)s2)cc1	0
S=C1N=NC(C2CCCCC2)N1N=Cc1c[nH]c2ccccc12	0
S=C1N=NC(c2ccco2)N1N=Cc1c[nH]c2ccccc12	0
S=C1N=NC(COc2ccccc2)N1N=Cc1c[nH]c2ccccc12	0
Cc1ccccc1C1N=NC(=S)N1N=Cc1c[nH]c2ccccc12	0
S=C1N=NC(c2ccccn2)N1N=Cc1cccnc1	0
O=C1c2ccccc2C(=O)N1CCSc1nc2ccccc2s1	0
O=C(c1ccccc1)N1c2ccccc2-c2ccccc2S1(=O)=O	0
COCc1cc(C)nc2sc3c(nnn4c5ccccc5nc34)c12	0
FC(F)(F)Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1	0
O=C1c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccccc1	0
CC(C)(C)C1=C[C@@](O)(C(F)(F)F)N(C=O)N1	0
CCC(CC)[C@H]1O[C@H](c2ccc([N+](=O)[O-])cc2)O[C@@H]2CCCC[C@@H]21	0
Cn1cnnc1-c1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1	0
CC1(C)OC(=O)N(C[C@@H]2CCCO2)[C@@]1(C)O	0
O=C(CSc1nc2cccnc2[nH]1)N1CCOCC1	0
N#Cc1c(SCc2ccccc2)nc2c(c1[C@@H]1CC=CCC1)CCC2	0
Cc1cc(=O)oc2c1ccc1occ(Nc3cccc([N+](=O)[O-])c3)c12	0
C=C1N(CCc2c(C)n(C)c3ccccc23)C(=O)OC12CCCCC2	0
Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1	0
COc1cc(C)c(/C=C2/N=C(c3ccccc3)OC2=O)cc1C(C)C	0
Nc1c(C(=O)N2CCOCC2)sc2nc3c(cc12)CCCCC3	0
c1ccc2c(N3CCN(c4ncnc5ccccc45)CC3)ncnc2c1	0
CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N	0
O=C1C(=Cc2ccc(Br)o2)C(=O)c2ccccc21	0
CSc1cccc(NC(=O)c2cncc(Br)c2)c1	0
C/N=C1\S[C@@H](C(=O)Nc2ccccc2F)CC(=O)N1C	0
O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1	0
Cc1nn(-c2nc3nc4ccccc4c-3n[nH]2)c2c1C(=O)CC(C)(C)C2	0
CC(C)N1C[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1=O	0
O=[N+]([O-])c1c[nH]nc1-c1cnn(-c2ccccc2)c1	0
CC1(C)[C@@H](C(=O)Nc2nc3ccccc3s2)[C@@H]1C=C(Cl)Cl	0
Fc1nc(F)c(F)c(SC(=S)N2CCOCC2)c1F	0
O=[N+]([O-])c1ncn(CNc2cc(Br)cc3cccnc23)n1	0
Nc1cc(=O)[nH]c(S/C=C/c2ccccc2)n1	0
Cc1cc(C)c(C#N)c(Nc2ccc(Oc3ccccc3)cc2)n1	0
N#CC1C(=O)NC(=S)[C@@H](C(N)=O)C12CCCCC2	0
CCC1(CC)C(=O)C(C)(C)C(=O)O[C@@H]1C#Cc1ccccc1	0
COC(=O)C(C#N)=C(c1ccc(O)cc1)C1C(=O)CC(C)(C)CC1=O	0
Oc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2cccnc12	0
O=C1C[C@@H](NC[C@@H](O)c2ccccc2)C(=O)N1c1ccc(Cl)cc1	0
Cc1ccc2nsnc2c1S(=O)(=O)NCc1cccnc1	0
O=c1[nH]c(=S)c2c(n1Cc1ccco1)CCC2	0
O=c1c(O)c(-c2ccc(F)c(Oc3ccccc3)c2)oc2ccccc12	0
O=C1c2ccccc2C(=O)N1CCc1cn2cccnc2n1	0
O=[N+]([O-])c1ccc(-c2nnn(CNc3ccc(Cl)cc3)n2)cc1	0
CC1=CC=CN2C1=NC(C(F)(F)F)(C(F)(F)F)N=C2c1ccco1	0
CCOc1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12	0
Cc1cc(S(=O)(=O)NCc2ccccc2)c2ncccc2c1	0
O=C1Sc2ccc(S(=O)(=O)N3CCOCC3)c3cccc1c23	0
COc1ccc(N2C(=O)C=C(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	0
CC(C)COC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O	0
Cc1ccc(NC2C(=CC(=O)c3ccccc3)OC(=O)C2Cl)cc1	0
CSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccco2)c1C#N	0
O=C(OCn1c(=O)oc2cc(Cl)ccc21)c1ccc(Cl)cc1	0
Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(Br)cn1	0
Cc1cc(C(F)(F)F)n2nc(C(N)=O)cc2n1	0
C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CCC21OCCO1	0
O=[N+]([O-])N=C1NCN(c2ccc(Cl)cc2)CN1	0
Cc1ccc(S(=O)(=O)Nc2ncccn2)cc1	0
O=C1c2ccc3c4c(ccc(c24)C(=O)N1N=C1CCCCC1)CC3	0
Cc1nc(NC(=O)c2ccccc2)sc1-c1ccc([N+](=O)[O-])o1	0
N#Cc1ccc(-c2ccccc2)nc1SCc1ccccc1Cl	0
O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cccs1	0
N#Cc1ccc(-c2cccs2)nc1SCCc1ccccc1	0
O=C1C[C@H](N2CCSCC2)C(=O)N1CCc1ccccc1	0
N#Cc1c(NC(=O)CSC2=NCCS2)sc2c1CCCC2	0
O=C(c1ccccn1)N1NC(C(F)(F)F)=C[C@@]1(O)c1cccnc1	0
Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1	0
c1ccc(-c2ccc(CSc3nc4ccccc4o3)cc2)cc1	0
O=C(c1ccncc1)N1NC(C(F)(F)F)=C[C@@]1(O)C(F)(F)F	0
Cc1nc(SCC(=O)Nc2ccccc2C#N)n[nH]1	0
CS[C@@H]1CCCC[C@@]1(O)CSc1nc2ccccc2s1	0
O=C1c2ccccc2S(=O)(=O)N1c1c(F)c(F)nc(F)c1F	0
O=C1NC(=S)NC1=Cc1cccc(OCc2ccc(F)cc2)c1	0
O=c1c2sc(-c3ccc([N+](=O)[O-])cc3)cc2nc2n1CCCCC2	0
CCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccccn2)N1	0
O=C(CSc1nc2ccccc2s1)Nc1ccncc1	0
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(C(F)(F)F)c1	0
Oc1c(Br)cc(CN2CCOCC2)c2cccnc12	0
C1=C(c2cccs2)CC(c2cccs2)=NN=C1c1cccs1	0
Cn1c(=O)cc2c3c(c(N4CCOCC4)ccc31)C(=O)c1ccccc1-2	0
Cn1c(=O)c(N2CCCCC2)c2c3c(cccc31)C(=O)c1ccccc1-2	0
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(F)cc1F	0
O=[N+]([O-])c1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1	0
CCOC(=O)c1c(NC(N)=O)sc(C)c1C	0
CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1c(C)nn(C)c1C)C2=O	0
C[C@@H](Nc1nc2nonc2nc1N1CCCC1)c1ccccc1	0
CN1C(=O)[C@@](O)(CC(=O)c2cccnc2)c2ccccc21	0
N#Cc1c(NC(=O)c2ccc(Br)o2)sc2c1CCC2	0
O=C(c1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1	0
O=C1C[C@@H](Cc2ccccc2)C(=O)N1c1ncccn1	0
CC1(C)CC(NS(C)(=O)=O)CC(C)(C)N1OC(=O)c1ccco1	0
Cc1ccc(-c2noc(CN(Cc3ccco3)S(C)(=O)=O)n2)cc1	0
COc1nsc(I)c1C#N	0
CCOc1ccc([C@@H]2Nc3ccccc3C(CC)(CC)O2)cc1OC	0
Cn1c(=O)c2c(-c3ccccc3)n(Cc3ccccc3)cc2n(C)c1=O	0
CCOc1cccc(=O)c2c(C)n(Cc3ccco3)c(C)c12	0
Cc1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C	0
O=C1C[C@@H](Cc2ccccc2)C(=O)N1C[C@@H]1CCCO1	0
C#C[C@@](C)(CC)NS(=O)(=O)c1c(C)ccc2nsnc12	0
O=c1oc2c(-c3ccc(SC(F)F)cc3)cc(O)cc2s1	0
Cn1c(CS(=O)(=O)c2ccc(Cl)cc2)c(C#N)c2ccccc21	0
C#C[C@@](C)(CC)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O	0
CO[C@](C)(OCCn1c2ccccc2c2ccccc21)c1ccccc1	0
Cc1nc2ccccc2n1-c1ccc(S(N)(=O)=O)cc1	0
O=c1[nH]nc2nc(-c3ccccc3)c(-c3ccccc3)nn12	0
O=C1NC(=O)/C(=C/c2ccc(N3CCCC3)cc2)N1	0
Cc1ccc(N2C(=O)CCS[C@@]23C(=O)Nc2ccccc23)cc1	0
O=S1(=O)N=C(N/N=C/c2cc(Cl)ccc2O)c2ccccc21	0
O=S1(=O)N=C(N/N=C/c2ccccn2)c2ccccc21	0
CCOC(=O)c1cc(-c2coc(/C=N\n3cnnc3)c2)ccc1Cl	0
Cc1c(/C=N\c2ccc(N3CCOCC3)cc2)c2ccccc2n1C	0
CN1C(=O)C(=CNc2ccc(F)cc2)C(=O)N(C)C1=S	0
O/N=C/c1ccc(N2CCOCC2)cc1	0
O=[N+]([O-])c1ccc(C(=S)N2CCOCC2)cc1	0
CCOC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)NC3=O)o2)cc1	0
O=S(=O)(Nc1cccnc1)c1ccccc1	0
OCC1N(c2ccccc2)CCN1c1ccccc1	0
O=S1(=O)N=C(NN=C2CCCC2)c2ccccc21	0
CS[C@@H]1CCCC[C@@]1(O)CSc1nc2c(cc1C#N)CCCC2	0
O[C@@H](COc1ccccc1)CSc1nc2ccccc2o1	0
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC1CCCCCC1	0
O=C(c1ccccc1)c1ccc(C(=O)N2CCOCC2)o1	0
Cn1c(SCc2ccccc2F)nc2ccccc2c1=O	0
C=C(C)[C@](C)(C#CC[NH+]1CCCCC1)OC(C)=O	1
CS(=O)(=O)C1=C(N)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1	0
NN(CCc1ccccn1)C1=NS(=O)(=O)c2ccccc21	0
O=C(Nc1ccc2c3c(cccc13)S(=O)(=O)N2)c1ccccc1	0
CC[C@@H]1C(=O)CN1S(=O)(=O)c1ccc(C)cc1	0
Cn1c(=S)n(CCSc2nc3ccccc3[nH]2)c2ccccc21	0
O=C(CN1CCCCC1)Nc1ccc(OC(F)(F)F)cc1	0
O=C(c1scc2c1OCCO2)N1CCN(c2ccc(F)cc2)CC1	0
CC(C)(CO)NC(=O)CSc1ccc(C(F)(F)F)cc1Cl	0
CC(C)Oc1ccc2nnc(C(F)(F)F)n2n1	0
CN1Cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2NC1=O	0
Cc1cc(C)n(C[C@@H](C)O)c(=O)c1C#N	0
CSc1nc(C(C)C)ccc1CNC(=O)C[C@@H](C)c1ccccc1	0
O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(NCc3ccccc3)ncc21	0
COc1cc2c(cc1OC)[C@@H](c1ccc(C(C)(C)C)cc1)[NH2+]CC2	1
CS(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	0
CCOc1cc2c(cc1OCC)[C@@H](c1ccc(CC)cc1)[NH2+]CC2	1
CCOc1cc2c(cc1OCC)[C@@H](c1cc(C)ccc1C)[NH2+]CC2	1
CCOc1cc2c(cc1OCC)[C@@H](c1cc(C)c(C)cc1C)[NH2+]CC2	1
O=[N+]([O-])c1cc(Oc2ccccc2)c2c(c1)Oc1ccccc1C=C2	0
Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1	0
O=C(NN1C(=O)c2ccc(Br)cc2C1=O)c1ccncc1	0
NC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCC2	0
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)C(F)(F)F	0
Cc1ccc2c(nc3s/c(=C\c4ccc(F)cc4F)c(=O)n32)c1C	0
Cc1ccccc1C(O)(C(=O)Nc1cccc[n+]1[O-])c1ccccc1C	0
C[C@@H]1CN(C(=O)c2cccs2)CCN1C(=O)c1cccs1	0
CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1	0
CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(C(C)C)cc1	0
Cn1c(CNc2cccc(Br)c2)c(C#N)c2ccccc21	0
CCOc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2ccc(Cl)cc2)cc1	0
O=C1c2ccccc2N[C@@H](/C=C/c2ccccc2)N1c1ccccc1	0
O=C1N=C(N2CCOCC2)NC1=Cc1ccccc1	0
CCOc1ccc(N2C(=O)c3ccccc3NC2(CC)CC)cc1	0
O[C@@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F	0
O=C1C(Nc2ccccc2)=C[C@@H](c2ccccc2F)N1c1ccccc1	0
CC(=O)c1cc(F)c(N2CCN(C)CC2)cc1C	0
Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccco1	0
Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1Cl	0
c1ccc(-c2nc(-c3nc4ccccc4[nH]3)[nH]c2-c2ccccc2)cc1	0
Cc1cc(C(F)(F)F)nn1CC(=O)N1CCOCC1	0
Oc1ccc2ccccc2c1/C=N/n1cnnc1	0
O=c1n(Cc2ccccc2)c2ccc(Cl)cc2n1Cc1ccccc1	0
COc1c2c(nc3ccccc13)O[C@@H]([C@@](C)(O)CO)C2	0
CC(C)OC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@@H](C)C2	0
NC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl	0
NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCCC2	0
Cc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C#N)c1C	0
CC(C)OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2	0
CC(C)OC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@@H](C)C2	0
NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1	0
CC(C)OC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2	0
CC[C@@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1	0
Cc1sc(NC(=O)c2ccc(Br)o2)c(C(N)=O)c1C	0
CC(C)(C)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	0
Cc1sc(NC(=O)[C@@H]2CCCO2)c(C(N)=O)c1C	0
C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C(N)=O)C1	0
Cc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1Cl	0
CCN(CC)C(=O)c1sc(N)c(C#N)c1C	0
Nc1cnn(-c2ccccc2)c(=O)c1Cl	0
COCc1c(N)c(C)nc(Cl)c1C#N	0
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)cc2C)c1O	0
O=C(Cn1cnc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl	0
O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1	0
Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N(C)C)o2)c1	0
CC(C)Oc1ccccc1NC(=O)Nc1ccc(Br)cc1	0
O=C(Nc1ccc(Cl)cn1)C(c1ccccc1)c1ccccc1	0
Cc1ccc(NS(=O)(=O)c2ccccc2)nc1	0
Cc1c(NS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	0
O=[N+]([O-])c1ccccc1-c1nc(SCc2ccccc2Cl)n[nH]1	0
Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1	0
O=c1nc(SCc2ccccc2Cl)sc2ccccc12	0
c1ccc(C(Sc2nc3ccccc3o2)c2ccccc2)cc1	0
c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1	0
CN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1	0
O=[N+]([O-])c1ccc(Cl)cc1Sc1cccc2cccnc12	0
N#Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2	0
CC1(C)NC(=O)N(C[C@@H](O)COc2ccc(Cl)cc2)C1=O	0
O[C@@H](COC[C@@H]1CC=CCC1)Cn1c2ccccc2c2ccccc21	0
O=C(COc1ccc(Cl)cc1)Nc1ccc(Br)cn1	0
O=C(NCc1ccco1)c1ccc(=O)[nH]c1	0
CN1C(=S)N=NC1COc1ccc(C(C)(C)c2ccccc2)cc1	0
CCCC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C	0
Cn1c(SCc2ccc(Br)cc2)nc2ccccc21	0
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccnc1	0
CC(C)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1	0
COc1ccc(OC)c2c(N)c(C#N)c(C(F)(F)C(F)(F)F)nc12	0
Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C	0
CC(C)[C@@H]1NC(=O)N(c2ccccc2)C1=O	0
CC1(C)CC(NS(C)(=O)=O)CC(C)(C)N1O	0
O=C(CCSc1ccccc1)Nc1ccccc1C(F)(F)F	0
C[NH+](C)CCC(=O)c1ccc([O-])cc1	0
CCOC(=O)Cn1c(C)c(Sc2ccccc2)c2ccccc21	0
O=S(=O)(c1ccccc1)c1cc(O)ccc1O	0
O=[N+]([O-])c1cccc(S(=O)(=O)CCc2ccncc2)c1	0
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1	0
O=C(Nc1nccs1)c1ccc(NC(=O)C(F)(F)F)cc1	0
CC(C)[C@@H]1C(=O)O[C@@]2(C)CC(C)(C)NC(=S)N12	0
CC(C)(C)C(=O)c1no[n+]([O-])c1C(=O)C(C)(C)C	0
O=C(Nc1ccc(Nc2ccccc2)cc1)c1scc2c1CCCC2	0
Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)o1	0
Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2Cl)cc1	0
O=C1NCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl	0
O=C(Nc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1ccco1	0
O=Cc1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1	0
CCOc1cc(C=O)cc(Br)c1OCc1ccccc1C	0
O=Cc1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1	0
Cc1cc([N+](=O)[O-])nn1C(=O)c1ccccc1F	0
O=C(c1ccccc1F)n1cc([N+](=O)[O-])cn1	0
CCOc1cc(C=O)cc(Br)c1OCc1cccc(C)c1	0
N#CCc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	0
S=C(NC1CCCCC1)NN1CCOCC1	0
C=C(C)Cn1c(SCC)nc2c(c1=O)C(C)(C)Cc1ccccc1-2	0
C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C(N)=O)C1	0
CCn1nccc1C(=O)n1nc(C)c(Cl)c1C	0
Cc1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(C)c1	0
CSc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1	0
O=C1NC(=S)NC1=Cc1ccc(N2CCCC2)cc1	0
O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1	0
O=S(=O)(NCc1ccccn1)c1ccc(F)cc1	0
CN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2ccccc21	0
O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(F)cc1	0
Cc1c(C=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl	0
CC(=O)c1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Cl)cc1	0
Cc1cc(-n2cc(C=O)c(-c3ccc(O)cc3)n2)nc2ccccc12	0
Oc1c([C@@H](Nc2ccccc2)c2ccccc2)ccc2cccnc12	0
Cc1ccc(-c2nc3c(C)cccn3c2NC(=O)c2ccccc2)cc1	0
O=[N+]([O-])c1ccc(-n2nc(-c3ccco3)cc2-c2ccccc2)cc1	0
CCN(CC)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	0
Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccc(Cl)cc2)c1	0
Cc1cc(C)cc(Oc2coc3c(C[NH+](C)C)c([O-])ccc3c2=O)c1	0
Cc1cc(=O)oc2cc(OCc3ccc(F)cc3)c(Cl)cc12	0
CCc1cc2c(C)cc(=O)oc2c(C[N@@H+]2CCCC[C@@H]2CC)c1[O-]	0
Cc1sc2ncn([C@@H](C)C(=O)OC3CCCCC3)c(=O)c2c1C	0
Cc1sc2ncnc(N3CCN(C)CC3)c2c1-c1ccc(F)cc1	0
CCN1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc23)CC1	0
O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccccc1F	0
O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(F)cc1	0
CSc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1	0
Oc1ccccc1[C@@H](Nc1ccccn1)c1ccc2cccnc2c1O	0
Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(F)cc1	0
[O-]c1c([C@@H](c2cccc(O)c2)[NH+]2CCCC2)ccc2cccnc12	0
[O-]c1c([C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)ccc2cccnc12	0
Cc1cc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)no1	0
Cc1sc(NC(=O)C2CC2)c(C(N)=O)c1C	0
N#Cc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCC2	0
CCC(=O)Nc1sc(C)c(C)c1C(N)=O	0
CCN(CC)c1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c(O)c1	0
CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	0
O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(Br)o2)o1	0
O=C([O-])CCNC1=[NH+]CCCCC1	0
CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)C(=O)C2	0
Oc1ccc(C(=S)N2CCOCC2)cc1O	0
CC(C)(C)[C@@]1(c2ccccc2)NC(=O)NC1=O	0
O=c1[nH]c2ccc(Cl)c([N+](=O)[O-])c2[nH]c1=O	0
CS(=O)(=O)c1nc2ccccc2s1	0
O=Cc1sc(=O)[n-]c1-[n+]1ccccc1	0
CN(C)S(=O)(=O)c1ccc(C#N)cc1	0
O=C1NC(=S)NC1=Cc1ccc(F)cc1	0
C#CCN1C(=O)c2ccccc2S1(=O)=O	0
C[C@@]1(c2ccc(F)cc2)NC(=O)NC1=O	0
COc1ccccc1C=Nc1nnc[nH]1	0
Cc1ccc(NN=C(C#N)C(N)=S)cc1	0
Cc1ccc(S(=O)(=O)N2CCC2)cc1	0
Cc1ccc(S(=O)(=O)CCC(N)=O)cc1	0
CC(C)=NNS(=O)(=O)c1ccc(C)cc1	0
Nc1nc(F)cc(N2CCCCCC2)n1	0
O=C1NC(=S)NC(=O)C1=Cc1ccc(Cl)cc1	0
O=C1NC(=S)NC(=O)C1=Cc1ccccc1Cl	0
O=Cc1ccc(S(=O)(=O)c2ccccc2)o1	0
Nc1nc(F)cc(NCc2ccccc2)n1	0
O=CNc1ccc(C2=NNC(=O)CC2)cc1	0
COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cccs1	0
S=C(c1ccccc1)N1CCOCC1	0
C[n+]1c(SCC(=O)[O-])sc2ccccc21	0
O=C1c2nccnc2C(=O)N1c1ccccc1	0
C=C[C@@H](C)ON1C(=O)c2ccccc2C1=O	0
O=C(/C=C/c1ccccc1)N1CCOC1=O	0
Cc1cc(Br)ccc1NC(=O)CSc1nncn1C	0
Cc1cccc(NC(=O)c2c(N)cnn2C)c1	0
c1cc(OC[C@@H]2CO2)ccc1OC[C@@H]1CO1	0
CCC(CC)NC1=NS(=O)(=O)c2ccccc21	0
CC(=O)C1=C(N)C(=O)N(C2CCCCC2)C1	0
O=C(c1ccccc1)n1c(=O)sc2cc(Br)ccc21	0
CN1C(=O)NC(=O)/C(=C\c2ccc(N(C)C)cc2)C1=O	0
CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	0
Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)cc1	0
CN1C(=O)C(=C/C=C/c2ccccc2)C(=O)N(C)C1=O	0
CC(=O)Nc1sc2c(c1C(N)=O)CCCC2	0
CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1	0
CCOC(=O)c1sc(NC(=O)C(C)(C)C)c(C(=O)OCC)c1C	0
Cc1nn(-c2ccccc2)c(Cl)c1C=C1C(=O)OC(C)(C)OC1=O	0
CNC(=O)N(C)c1nnc(C(C)(C)C)s1	0
CCC[C@@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1	0
CCCN(CCC)C(=O)N1CCNC1=O	0
O=C1NCCN1C(=O)NC1CCCCC1	0
Cc1ccccc1NC(=O)N1CCNC1=O	0
O=C1NCCN1C(=O)Nc1cccc([N+](=O)[O-])c1	0
Cc1cccnc1NC(=O)N1CCNC1=O	0
O=C1NCCN1C(=O)Nc1ccc(Br)cn1	0
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cn1	0
[NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	0
Cc1nn(-c2ccccc2)c2sc(C(=O)NN3CCOCC3)cc12	0
Cc1ccc(Cn2c(SC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1	0
O=C(N/C(=C/c1cccs1)C(=O)N1CCOCC1)c1ccccc1	0
CC1=NC(=O)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC(C)C	0
CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1	0
Cn1c(-c2cc3ccc([O-])c(C[NH+](C)C)c3oc2=O)nc2ccccc21	0
O=C(N=C1NCCCCCN1)c1ccc([N+](=O)[O-])cc1	0
Cc1ccc(S(=O)(=O)N=C2NCCCCCN2)cc1	0
O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(Br)cc1	0
N#Cc1c2c(c(N3CCOCC3)n3c1nc1ccccc13)CCCC2	0
Cc1c(C(C)C)c(N2CCOCC2)n2c(nc3ccccc32)c1C#N	0
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccsc1	0
CN(C)c1ccc(C=NN2C(=O)CNC2=O)cc1	0
CN(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1	0
Cc1ccccc1NN=C(C#N)C(N)=S	0
COc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccc(C)cc23)cc1	0
O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2cccc(Cl)c2)CC1	0
CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccccc1F	0
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cccc(C(F)(F)F)c1	0
Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)c1C	0
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1O	0
CC(=O)Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1	0
Fc1cccc(Cl)c1COc1ccc(/C=N/n2cnnc2)cc1	0
CN(/N=C/c1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc21	0
Cc1c(C#N)sc2nc(-c3ccccc3)nc(N3CCOCC3)c12	0
O=C(Nc1ccccn1)c1ccc(S(=O)(=O)c2ccccc2)cc1	0
CC(C)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1	0
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1	0
CCOc1cc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)ccc1O	0
O=C1C=C(N2CCN(C(=O)c3ccccc3)CC2)C2(CCCCC2)O1	0
COc1cc2c(cc1OC)[C@@]1(C)N(CC2)C(=O)OC12CCCCC2	0
O=C(C[C@@H]1SCCNC1=O)Nc1ccc(Cl)c(Cl)c1	0
COC1(NS(=O)(=O)c2ccc(Cl)cc2)C(C)=CC(=O)C=C1C	0
Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1	0
Cn1cnnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1	0
Cc1ccccc1C(=O)N1CCN(c2nc3ccccc3s2)CC1	0
O=c1[nH]c2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3	0
Cc1cc(S(=O)(=O)n2nnc3cc(Cl)ccc32)ccc1Cl	0