| smiles,activity,HIV_active | |
| CN=C1OC2(c3ccccc3)C3=C(OC(=NC)N2C)C(=O)OC3(c2ccccc2)N1C,CI,0 | |
| c1ccc2c(c1)[nH]c1c3ccccc3sc21,CI,0 | |
| CN1C(=O)N(C)P(=O)(c2ccccc2)P1c1ccccc1,CI,0 | |
| O=C(c1ccccc1)N1OCCCc2ccccc21,CI,0 | |
| COC(=O)c1c2c(cc3nc4ccccc4nc13)OCO2,CI,0 | |
| Cc1c2c(c(C)c3c1C(=O)c1cc4c(cc1C3=O)OCO4)OCO2,CI,0 | |
| C1SSCC2=C1CSSC2,CI,0 | |
| COC(=O)C1=C(O)c2cc(C)c(C)c(C#N)c2NC(=O)C1,CI,0 | |
| CC(CSC(=O)c1ccccc1)C(=O)N1c2ccccc2CC1C(=O)O,CI,0 | |
| Cc1cc2c(cc1C)NS(=O)(=O)N2,CI,0 | |
| O=NNc1nc(-c2cccnc2)nc2ccccc12.[NaH],CI,0 | |
| COC(=O)C1=NOC2C(=O)N(c3ccccc3)C(=O)C12,CI,0 | |
| O=C1CSCc2sccc21,CI,0 | |
| O=[N+]([O-])c1ccc2c(c1)C(N1CCN(CCO)CC1)Cc1ccc(F)cc1S2,CI,0 | |
| CCOC(=O)n1c2ccccc2c(=O)n1CCO,CI,0 | |
| O=c1c(Cl)nsnc1Cl,CI,0 | |
| C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2CCN1C(C)=O,CI,0 | |
| O=C(c1ccc(Cl)cc1)c1cnc2nc(-c3ccccc3)c(-c3ccccc3)nn12,CI,0 | |
| Cc1ccc(S(=O)(=O)NC(=O)NC2=NC(C)(C)N(c3ccc(Cl)c(Cl)c3)C(=N)N2)cc1,CI,0 | |
| COc1ccc(C(=O)C(CN2CCOCC2)CN2CCOCC2)cc1.Cl,CI,0 | |
| CC=C1CN2C3CC1C1(C(=O)OC)C2CC2(c4cc(OC)ccc4N(C)C32)C1OC(C)=O,CI,0 | |
| O=NNc1ccc(S(=O)c2ccccc2)cn1.[NaH],CI,0 | |
| O=NNc1ccc(S(=O)(=O)c2ccc3ccccc3c2)cn1.[NaH],CI,0 | |
| CS1(C)=Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S(=O)(=O)N=1,CI,0 | |
| CS1(C)=NC(=O)c2cc([N+](=O)[O-])ccc2N=1,CI,0 | |
| CS1(C)=NC(=O)C2=C(N=1)c1ccccc1S2(=O)=O,CI,0 | |
| O=C(CCCNC(=O)OCc1ccccc1)OCc1ccc2c(c1)C(=O)c1ccccc1C2=O,CI,0 | |
| O=c1c(Cl)c(O)ccn1C1OC(CO)C(O)C1O,CI,0 | |
| C[n+]1c(-c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(O)=[OH+])cc1,CM,1 | |
| C[n+]1c(-c2ccc(C=NNC(=N)NCCCCCCNC(=N)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.I.[I-],CM,1 | |
| C[n+]1c(-c2ccc(C=CC=NNC(=O)c3ccc(C(=O)NN=CC=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(O)=[OH+])cc1,CI,0 | |
| Cc1ccc(-c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cn1,CI,0 | |
| O=C1OC(OCC#CCOC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl,CI,0 | |
| O=C1OC(OCC(Br)=C(Br)COC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl,CI,0 | |
| O=[N+]([O-])N=c1nc2scc(-c3ccc([N+](=O)[O-])cc3)n2s1,CI,0 | |
| Cc1csc2nc(=N[N+](=O)[O-])sn12,CI,0 | |
| CCOC(=O)C1C(=O)C(C(=O)OC)C2CCCC3CCCC1N32,CI,0 | |
| CC1C2c3ccccc3C(c3ccccc32)C1CN1C(CCO)COC1c1ccccc1,CI,0 | |
| CC(C)C12OC1CC13OC1C1OC1C1OC132,CI,0 | |
| CC(C)C12OC1CC13OC1C(O)CCC32O,CI,0 | |
| COc1cc2c(c(C(C)(C)C)c1)OC1(O)C2=CC(=O)C=C1C(C)(C)C,CI,0 | |
| S=c1nnn(C2CCCN2)[nH]1,CI,0 | |
| OC1(O)C=CCCCCCC=C1,CI,0 | |
| OC12C=CC(CCCC1)O2,CI,0 | |
| CC1OC(OC2C(Oc3ccc4c(=O)c(-c5ccc(O)c(O)c5O)coc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O,CI,0 | |
| CC1OC(OC2C(Oc3c(-c4ccc(O)c(O)c4O)oc4cc(O)ccc4c3=O)OC(CO)C(O)C2O)C(O)C(O)C1O,CI,0 | |
| CCn1ncc2c1nc(-c1ccccc1)c[n+]2[O-],CI,0 | |
| Cc1ccc2c(c1)C1(SCCC(=O)N1c1ccc(Cl)cc1)C(=O)N2,CI,0 | |
| CC(=O)Nc1c(Nc2ccc3c(O)nccc3c2C)ccnc1O,CI,0 | |
| Cc1cccc(C2=NC(=C3CCCCC3)C(=O)O2)c1,CI,0 | |
| O=C(N=C1C(=O)C2(CCCCC2)C2(N=C(c3ccccc3)OC2=O)C12CCCCC2)c1ccccc1,CI,0 | |
| O=C1NC2C=CN(Cc3ccccc3)C=C2C(=O)N2CCCC12,CI,0 | |
| COc1cc(-c2nn3c(C)c(-c4ccccc4)nc3s2)cc(OC)c1OC,CM,1 | |
| O=C1CC2(CCc3ccccc32)C(=O)N1CN1CCN(c2ccccn2)CC1,CI,0 | |
| Nc1ccc(SSc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1,CI,0 | |
| OC(CN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1)CN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1,CI,0 | |
| Oc1nnc(Cl)c2c(O)c3ccccc3c(O)c12,CI,0 | |
| Cc1nc2c(nc1C)C(=O)c1ccccc1C2=O,CI,0 | |
| O=C1c2ccccc2C(=O)N1CCc1ncc[nH]1,CI,0 | |
| COc1ccc(NC(=O)Oc2cc(C)c3ccc(=O)cc-3o2)c(OC)c1.COc1ccc(NC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1,CI,0 | |
| COc1nc2[nH]c(C)cc(=O)c2c2ccccc12,CI,0 | |
| O=C1CSC(=NN=Cc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)N1c1ccccc1,CI,0 | |
| COc1ccc2c(c1)C=CC1OC(C(C)=O)(C(C)=O)C(C=O)=CN21,CI,0 | |
| NC1CCCCC1.O=C(CP(=O)(O)O)NC(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0 | |
| Cc1ccc(S(=O)(=O)O)cc1.NC(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0 | |
| O=c1ccc2cc3ccoc3c(OCCOCCOCCOCCOc3c4occc4cc4ccc(=O)oc34)c2o1,CI,0 | |
| O=c1ccc2cc3ccoc3c(OCCCCCCCCCCCCOc3c4occc4cc4ccc(=O)oc34)c2o1,CI,0 | |
| CC1C(N2CCCC2)=CC(=O)OC1c1ccccc1,CI,0 | |
| COC(=O)NC1=Nc2ccccc2C(=O)NN1,CI,0 | |
| CC1(C)CC(=O)C(=[N+]=[N-])C(=O)C1,CI,0 | |
| O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-],CI,0 | |
| COC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5ccccc54)C3CC12,CI,0 | |
| CC=CC=Cc1cc2cc3c(c(O)c2c(O)n1)C1(CC3)C(=O)c2c(O)c3c(c(O)c2C1=O)C(=O)C(OC)=CC3=O.[KH],CI,0 | |
| O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3ccccc23)cn1,CI,0 | |
| CCCCCCCCCCCCC1C(=O)NCCNCCCNCCNC1=O,CI,0 | |
| O=S(=O)(O)c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccc(S(=O)(=O)O)o2)o1.[NaH],CI,0 | |
| O=C(Nc1ccc(Br)c2ccccc12)c1ccc2ccccc2c1O,CI,0 | |
| O=NNc1ccccn1.OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC1C(O)C2O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O.[NaH],CI,0 | |
| O=C(O)CSc1cc2c3ccccc3sc2c2ccccc12,CI,0 | |
| O=C1Sc2ccccc2Cn2cccc21,CI,0 | |
| CCN(CC)CCOc1ccccc1C=Cc1noc2ccccc12.Cl,CI,0 | |
| CC(C)=NNC1=NC(C)(C)P(=O)(N2CCCC2C(=O)O)S1,CI,0 | |
| CSCC(NP1(=O)SC(NN=C(C)C)=NC1(C)C)C(=O)O,CI,0 | |
| Cc1ccc2c3c(c(=O)oc2c1)C(C)CC(C)(CO)O3,CI,0 | |
| COc1ccccc1C1OC(c2ccccc2OC)C2CCN(C)C2(C)O1,CI,0 | |
| CC1(C2=CCCCC2)CCC(=O)NC1=O,CI,0 | |
| O=C(O)Cc1ccc(N2N=C(c3ccccc3)CC2=O)cc1,CI,0 | |
| O=NNc1ccc(S(=O)(=O)c2ccccc2)cn1.[NaH],CI,0 | |
| O=NNc1ccc(Sc2ccc3ccccc3c2)cn1.[NaH],CI,0 | |
| O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3ccccc23)nc1,CI,0 | |
| CC(C)c1ccc2nc3ccc(C(=O)NCCN4CCN(c5ccccc5)CC4)cn3c(=O)c2c1,CI,0 | |
| Cc1coc2c1C1OC(=O)C3(CC=CC(C)C2)OC13,CI,0 | |
| Cn1c(=S)sc2nc3ccccc3n2c1=S,CI,0 | |
| COC(=O)Nc1nc2cc(C(=O)c3ccc[nH]3)ccc2[nH]1,CI,0 | |
| COc1ccc(C2=C(C#N)C(=O)OCCN2C)cc1,CI,0 | |
| CC(C)c1ccc2nc3ccc(C(=O)NCCN(C)C)cn3c(=O)c2c1,CI,0 | |
| FC(F)(F)c1cccc(COCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1,CI,0 | |
| c1cnc2c(c1)Nc1cnncc1S2,CI,0 | |
| CCn1c(=N)sc2nc3ccccc3n2c1=O,CI,0 | |
| O=NNc1ccc(-c2ccccc2)cn1.[NaH],CI,0 | |
| COC(=O)c1c(O)c2c(c3c1OC(C)(C)CC3)OC(C)(C)CC2,CI,0 | |
| COC(=O)C=C1SC(OC)(N(C)c2ccccc2)N(C)C1=O,CI,0 | |
| CN1c2ccccc2Sc2c(-c3ccccc3)n[nH]c21,CI,0 | |
| CN1c2ccccc2SC2C(c3ccccc3)=NOC21,CI,0 | |
| O=NNc1ccc(Sc2ccc(NN=O)cn2)nc1.[NaH],CI,0 | |
| COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C=COC1O2,CI,0 | |
| COC(=O)C1=C(C(=O)OC)C2C(C)=CC(C)=CN2C(C(=O)OC)=C1C(=O)OC,CI,0 | |
| CN(C)CCN1CCC(Cc2ccccc2)CC1,CI,0 | |
| O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1,CI,0 | |
| CC1=C(C)CS(=O)N(c2ccccc2)C1,CI,0 | |
| S=C(SSC(=S)N1CCCCC1)N1CCCCC1,CI,0 | |
| CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O,CA,1 | |
| C=C1C(=O)C23CC1CCC2C12COC(O)C1C(C)(C)C(O)CC2OC3=O,CI,0 | |
| O=S1(=O)OCCCCO1,CI,0 | |
| O=S1(=O)OCCCO1,CI,0 | |
| CSC1SCC2C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NC(C)C(=O)N2C,CI,0 | |
| COC(=O)C1=C(C(=O)OC)C(C(=O)OC)N2C=CC=CC2=C1C(=O)OC,CI,0 | |
| O=C1OC(=O)C2C3CCCCC3=C3CCCCC3C12,CI,0 | |
| S=C1NC2(CCCCC2)NC12CCCCC2,CI,0 | |
| C(=Nc1cnc2ccccc2c1)c1ccnc2ccccc12,CI,0 | |
| O=c1c2cccc3c4ccccc4c4sc5ccccc5n1-c4c23,CI,0 | |
| O=C1NCC(c2ccccc2)(c2ccccc2)O1,CI,0 | |
| C(=Nc1ccc(SSc2ccc(N=C=C(c3ccccc3)c3ccccc3)cc2)cc1)=C(c1ccccc1)c1ccccc1,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(-c4ccccc4)cc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(-c4ccccc4)cc3)c2c1O,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc4ccccc4c3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc4ccccc4c3)c2c1O,CI,0 | |
| O=C(OCCSSCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| COC1(c2cccs2)OC(=O)c2c([N+](=O)[O-])cccc21,CI,0 | |
| CC1CCC(C(C)C)C(OC2(c3ccccc3)OC(=O)c3ccccc32)C1,CI,0 | |
| O=C1CC2c3ccccc3CCC2c2ccccc21,CI,0 | |
| NC(=O)NN=C1CC2CCCCC2c2ccccc21,CI,0 | |
| O=C(c1cccc(=O)c(O)c1)C1OC1c1ccccc1,CI,0 | |
| C(#CCN1CCCCCC1)CN1CCCCCC1,CI,0 | |
| CN(C)c1ccc(N=Nc2ccc(C=Cc3ccnc4ccccc34)cc2)cc1,CI,0 | |
| CN(C)c1ccc(C=Cc2ccnc3c2ccc2ccccc23)cc1,CI,0 | |
| CN(C)c1ccc(C=Cc2ccnc3ccc4ccccc4c23)cc1,CI,0 | |
| COc1cc(-c2[o+]c3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3cc2OC2OC(CO)C(O)C(O)C2O)cc(OC)c1O,CI,0 | |
| COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)C(=O)CC(c1ccc(O)cc1)O2,CI,0 | |
| Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,CI,0 | |
| O=C1OC(c2ccc3c(c2)OCO3)Sc2ccccc21,CI,0 | |
| O=C1OC(c2cccs2)Sc2ccccc21,CI,0 | |
| O=C1OC(C=Cc2ccccc2)Sc2ccccc21,CI,0 | |
| O=C(NN=Cc1cccc(C=NNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1)Nc1ccc(N=Nc2ccccc2)cc1,CI,0 | |
| O=C(OC1CCCC1)C1(O)CCCCC1,CI,0 | |
| O=C(c1ccc(Cl)cc1)c1ccc(N=[N+]([O-])c2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1,CI,0 | |
| Oc1c2c(c(O)c3ccccc13)C1(N=N2)c2ccccc2Oc2ccccc21,CI,0 | |
| Nn1ccc(=O)c2c1-c1ccccc1C(c1ccccc1)c1ccccc1-2,CI,0 | |
| C=C1C2CCC3(CCC4C5(C)CCCC4(C=NC5)C3C2)C1O,CI,0 | |
| CC1C2CCC3(CCC4C5(C)CCCC4(CN(CCO)C5)C3C2)C1O,CI,0 | |
| C=CC1CN2CCC1CC2=NO,CI,0 | |
| O=S(=O)(OC1CC12CCCCC2c1ccccc1)c1ccccc1,CI,0 | |
| O=C1NC(CSSCC2NC(=O)N(c3ccccc3)C2=O)C(=O)N1c1ccccc1,CI,0 | |
| O=C1NC(=O)c2ncccc21,CI,0 | |
| c1ccc(-c2csc3[n+]2CCN3)cc1,CI,0 | |
| Cc1[se]c(=N)[nH]c1-c1ccccc1,CI,0 | |
| CN(C)CC1C2C=CC(C2)C1COCC1C2C=CC(C2)C1CN(C)C.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,CI,0 | |
| N=C(N)SCc1ccccc1.O=C(O)C1CC2C3C=CC(C3)C2C1,CI,0 | |
| C[N+]12CC3C4CC(C3C1)C2C4,CI,0 | |
| c1ccc(-c2nnc(-c3ccccc3)c3nonc23)cc1,CI,0 | |
| COc1cccc(C(CC(=O)O)=NCCc2c[nH]c3ccccc23)c1C(=O)O,CI,0 | |
| C[N+]1(Cc2ccco2)CCCCC1,CI,0 | |
| Cc1ccc(S(=O)(=O)OC2C(C)OCOC3COCOC32)cc1,CI,0 | |
| S=C(NN1CCOCC1)SSC(=S)NN1CCOCC1,CI,0 | |
| Oc1ccc(O)c2c1N=NC21c2ccccc2Oc2ccccc21,CI,0 | |
| CC1=CC(C)(C)SC(SSSSC2=NC(C)=CC(C)(C)S2)=N1,CI,0 | |
| CC1=CC(C)(C)SC(SSSC2=NC(C)=CC(C)(C)S2)=N1,CI,0 | |
| O=C(Nc1ccccc1-c1ccccc1)c1ccccc1,CI,0 | |
| O=C1C=CC(c2ccccc2)(c2ccccc2)O1,CI,0 | |
| O=C1OC(=Nc2ccccc2Cl)c2ccccc21,CI,0 | |
| S=C(SSC(=S)N1CCOCC1)N1CCOCC1,CI,0 | |
| CN(C)c1ccc([N+]([O-])=Cc2cc(=O)c(OS(C)(=O)=O)co2)cc1,CI,0 | |
| c1ccc(C2=NOCC3(c4ccccc4)OC23)cc1,CI,0 | |
| O=C1c2ccccc2C(c2ccccc2)C1c1ccccc1,CI,0 | |
| Cc1cc2c(cc1C)C1=C(CCC2)C(=O)C(=O)O1,CI,0 | |
| CN1CCC(c2ccccc2)(c2ccccc2)C(O)C1,CI,0 | |
| CN1CCCCC(C#N)(c2ccccc2)CC1,CI,0 | |
| C[N+]12CCC(c3ccccc3)(CC1)C(O)C2,CI,0 | |
| C[N+]1(C)CCC(C#N)(c2ccccc2)CC1,CI,0 | |
| O=C(O)C1CC(O)CN1S(=O)(=O)Cc1ccccc1,CI,0 | |
| CC1(Nc2ccccc2)OC(=O)c2ccccc21,CI,0 | |
| O=C1c2ccoc2C(=O)c2oc(=O)ccc21,CI,0 | |
| Cc1ccc(S(=O)(=O)C2CC3CC2C2COCC32)cc1,CI,0 | |
| CC1(CN2CCCCC2)COC(c2ccccc2)(c2ccccc2)OC1,CI,0 | |
| Oc1ncc(SSc2cnc(O)nc2O)c(O)n1,CI,0 | |
| O=C1c2ccccc2C(=O)C2(C(c3ccccc3)c3ccccc3)N=NCC12,CI,0 | |
| C[N+]1(C)CCCC(C#N)(c2ccccc2)CC1,CI,0 | |
| ON=C1CCC(c2ccccc2)CC1,CI,0 | |
| COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2nccnc2c1,CI,0 | |
| COc1ccc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc12,CI,0 | |
| CC(=CC(=O)c1ccc(Sc2ccccc2)cc1)c1ccc(Sc2ccccc2)cc1,CI,0 | |
| CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Sc2ccc(C(C)=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1,CI,0 | |
| O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc(S(=O)(=O)c2ccccc2)cc1,CI,0 | |
| O=C(C=Cc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1,CI,0 | |
| CC1OCC2OC(C)OC(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)C2O1,CI,0 | |
| O=S(=O)(c1ccccc1)N1CC2C3C=CC(C3)C2C1,CI,0 | |
| Cn1c(=O)c2nsnc2n(C)c1=O,CI,0 | |
| COc1cc(=O)cc2n(c1=O)CCC2,CI,0 | |
| O=C1CC2C(CC3OC(=O)C4C3C23COC4(O)C(O)C3)c2occc21,CI,0 | |
| N#Cc1c(N)[nH]c2ccc(Sc3ccccc3)cc12,CI,0 | |
| c1ccc(-c2cnc3cccnc3n2)cc1,CI,0 | |
| O=C1c2ccncc2C(=O)c2c1[nH]c1ccccc21,CI,0 | |
| COc1ccc2c(c1)CC1c3c(cc4c(c3-2)OCO4)CCN1C,CI,0 | |
| Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C1(C)CO1)O3,CI,0 | |
| O=C(NC1C=Nc2ccc(Cl)cc2NC1=O)c1ccc2ccccc2c1,CI,0 | |
| COc1ccc(C(=O)Cc2nc3n[nH]c(=N)n3nc2CC(=O)c2ccc(OC)cc2)cc1,CI,0 | |
| N=c1[nH][nH]c(=N)n1-n1c(=N)[nH][nH]c1=N,CI,0 | |
| CCCC(C(=O)OC)C(=O)C(C)C1=Nc2n[nH]c(=N)n2C1=O,CI,0 | |
| COC(=O)c1nc2[nH]n(-c3ccccc3)c(=O)c2c2c1CCCCCCCCCC2,CI,0 | |
| CC(=O)N1CCC23c4ccccc4N(C)C2CC(=O)CC13,CI,0 | |
| CC1C(c2ccc3c(c2)OCO3)CC(Cl)CC12C=C1OCOC1=CC2=O,CI,0 | |
| O=C1CC2c3c(OCc4ccccc4)cc(OCc4ccccc4)cc3OC2O1,CI,0 | |
| O=C1OCc2c[n+]([O-])ccc21,CI,0 | |
| O=C1OCc2cnccc21,CI,0 | |
| COC(=O)NC12CC3CC(C(C)O1)C2N(Cc1ccccc1)C3,CI,0 | |
| N=c1[nH]nc2nc(CC(=O)c3cccc([N+](=O)[O-])c3)c(=CC(=O)c3cccc([N+](=O)[O-])c3)n12,CI,0 | |
| COC(=O)C(=O)C1CCCC(C2=Nc3n[nH]c(=N)n3C2=O)C1=O,CI,0 | |
| O=C1c2ccccc2C(=O)C1(c1ccccn1)[N+](=O)[O-],CI,0 | |
| COC=Nc1cn2c(n1)CN=C2,CI,0 | |
| COC(=O)c1ncn(C2CCCCC2)c1N,CI,0 | |
| COC(=O)c1ncn(C2CCCCC2)c1O.NC1CCCCC1,CI,0 | |
| CN1C(=O)N(C)C2CC(=O)c3ccc(C(F)(F)F)cc3N2C1=O,CI,0 | |
| Cc1nc2cncnc2n(CCN2CCOCC2)c1=O,CI,0 | |
| CCCC1C(CCC)C2(OC(=O)C3=C2CCC=C3)C12OC(=O)C1=C2CCC=C1,CI,0 | |
| CN(C)C(=O)c1nc(CNC(=O)CN)n(-c2ccc(Cl)cc2C(=O)c2ccccc2)n1,CI,0 | |
| CCOC(=O)c1c2nc3ccccc3sc-2c(C(=O)OCC)c1C(=O)OCC,CI,0 | |
| CCOC(=O)c1nnc(-c2ccccc2)nc1Cl,CI,0 | |
| O=C(NC1(C(=O)O)CC1c1ccccc1)c1ccccc1,CI,0 | |
| CN1C(=O)CC2(C)C1=CCc1scnc12,CI,0 | |
| COc1ccc(-c2coc3c4c(ccc3c2=O)OCO4)cc1OC,CI,0 | |
| O=c1c(-c2ccc3c(c2)OCO3)coc2c3c(ccc12)OCO3,CI,0 | |
| COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C(C)C)O2)OC1=O,CI,0 | |
| C[N+]1=C(c2ccc[nH]2)CC(C(=O)O)CC1,CI,0 | |
| COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCc4ccccn4)C3=O)N1CC1NC12,CI,0 | |
| O=C(O)c1cc2oc(-c3ccccc3)cc2[nH]1,CI,0 | |
| Cc1nn(-c2ccccc2)c(=O)n2c1nc1ccccc12,CI,0 | |
| CN(C)C=O.O=C(Nc1nnn[nH]1)c1nc(O)cc(-c2ccccc2)n1,CI,0 | |
| CC=C1CN2CCC34c5ccccc5N(C)C35OCC4(C(=O)OC)C1CC25,CI,0 | |
| CC=C(C(=O)OC)C1CC2OC(=O)C1(C=O)C13CCNC21N(C)c1ccccc13,CI,0 | |
| CCCCCCCCCCCC1=C2ON=C2C(c2ccccn2)=C(O)C1=O,CI,0 | |
| O=C1CSCN1N1CSCC1=O,CI,0 | |
| O=C1C(=NO)SC(=S)N1N1CCCCC1,CI,0 | |
| O=C1C2=C(C=Cc3ccccc3)OCCC2=NN1c1ccccc1,CI,0 | |
| O=C1CC2COc3ccc(O)cc3C2=NN1c1ccccc1,CI,0 | |
| O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(O)C3O)c(O)ccc12,CI,0 | |
| CCOC(=O)CC1(C)c2nc(NC(C)=O)sc2Cc2sc(NC(C)=O)nc21,CI,0 | |
| O=C(Cc1nc2ccccc2[nH]1)NN=C1SCC(=O)N1c1ccc(Cl)cc1,CI,0 | |
| C=CCN1C(=O)CSC1=NNC(=O)Cc1nc2ccccc2[nH]1,CI,0 | |
| CN1C(=O)C(=C2SC(=O)N(Cc3nc4ccccc4[nH]3)C2=O)c2cc(Br)ccc21,CI,0 | |
| C[n+]1c(-c2ccc(C=NNc3ccnc(NN=Cc4ccc(-c5cn6ccsc6[n+]5C)cc4)n3)cc2)cn2ccsc21.Cc1ccc(S(=O)(=O)O)cc1,CM,1 | |
| C[n+]1c(-c2ccc(C=NNC(=O)c3cncc(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)c3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,CI,0 | |
| C[n+]1c(COc2ccc(C=NNC(=O)c3cccc(C(=O)NN=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)c3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,CI,0 | |
| C[n+]1c(-c2ccc(C=NNC(=O)c3cccc(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)c3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,CA,1 | |
| C[n+]1c(-c2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cn6ccsc6[n+]5C)cc4)cc3)cc2)cn2ccsc21.Cc1ccc(S(=O)(=O)O)cc1,CI,0 | |
| C[n+]1c(COc2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,CM,1 | |
| COC(=O)C1=C(N2CCCC2)C2c3ccccc3SC12C(=O)OC,CA,1 | |
| O=C1c2ccccc2-c2nnsc21,CI,0 | |
| O=[N+]([O-])c1ccccc1NC1CCN(CCCC2(c3ccc(F)cc3)OCCO2)CC1,CI,0 | |
| Cn1c([N+](=O)[O-])cnc1N1CCN(c2nncs2)C1=O,CI,0 | |
| Cc1ccc2c(c1)sc(C)[n+]2CCO,CM,1 | |
| CCOC(=O)c1sc(C(=O)OCC)c2c1-c1cccc3cccc-2c13,CI,0 | |
| Cc1ncc(CO)c(CO)c1OCC(O)CN1CCN(c2ccc(F)cc2)CC1,CI,0 | |
| CCC12OC(COc3ccccc3)CN1CCS2,CI,0 | |
| O=c1ssc2ncccc12,CI,0 | |
| CC1(Cn2ccc(=O)[nH]c2=O)CC(C2(C)OCCO2)C(=O)O1,CI,0 | |
| COC1(C)OC23C(=O)N(C)C(=O)N(C)C2(O1)N(C(C)=O)C(=O)N3C,CI,0 | |
| O=c1c2c(oc3cc(OCC4CO4)ccc13)CCC2,CI,0 | |
| CC(=O)N1CC(O)(c2ccccc2)CSc2ccccc21,CI,0 | |
| CN1CCN(C(=O)c2cccc3cccc(C(=O)O)c23)CC1,CI,0 | |
| COc1cc2c(c(Cl)c1OC)CCN(C)CC2c1ccccc1,CI,0 | |
| COc1cc2ccc1-c1cc(ccc1O)CC1c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)C(C2)N(C)CC3,CI,0 | |
| Nc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1,CI,0 | |
| O=C(Nc1cc2cc([N+](=O)[O-])ccc2oc1=O)c1cccs1,CI,0 | |
| Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc2cc([N+](=O)[O-])ccc2oc1=O,CI,0 | |
| N=c1[nH]c2c(C(=O)c3cccs3)nnn2c2cccc(Cl)c12,CI,0 | |
| CSC1=NC=C(C#N)C2=NC(c3cccs3)NN12,CI,0 | |
| O=C1NN2CCN=C2c2cnccc21,CI,0 | |
| CC1(CO)CCCC1NCCNC1CCCC1(C)CO,CM,1 | |
| COc1ccc2[nH]c3c(c2c1)C(=O)c1ccncc1C3=O,CI,0 | |
| CC1(C)COC1(c1ccccc1)c1cccnc1,CI,0 | |
| Cc1cc(C)c2c(c1)CC(C)(C)C(=O)OC2=O,CI,0 | |
| ClP1Nc2cncnc2N1,CI,0 | |
| COc1ccc(N=Cc2c(O)ccc3c2oc2cc(Cl)c(O)c(Cl)c23)cc1,CI,0 | |
| CC1C(c2ccccc2)OCN1CC=C(c1ccsc1)c1ccsc1,CI,0 | |
| COc1ccc2c(c1)CCC1OC(c3cccnc3)OC21,CI,0 | |
| CN(C)CCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)N(C)C1.O=C(O)C=CC(=O)O,CI,0 | |
| Cc1[nH]c(C)c2ccc(=O)ccc12,CI,0 | |
| COc1ccc(NC=C2C(=O)CCc3c2oc2cc(Cl)c(O)c(Cl)c32)cc1,CI,0 | |
| CSC(=Cc1ccc(C(=O)c2ccc(C)cc2)n1C)S(C)=O,CI,0 | |
| S=c1c2ccccc2c(=S)n(-c2ccccc2)n1-c1ccccc1,CI,0 | |
| CN=S(=O)(c1ccccc1)C1(C)CC(C)=C(C)CS1=O,CI,0 | |
| O=C1C2C(C(=O)N1c1ccccc1)C1CCC2N1C(=O)c1ccccc1,CI,0 | |
| CCc1nn(Cc2ccccc2)c2nc(C)c(CCc3ccccc3)c(Cl)c12,CI,0 | |
| COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C(N)Cc1ccccc1)C24,CI,0 | |
| CSC(=NN=Cc1ccc2ccccc2n1)SSC(=NN=Cc1ccc2ccccc2n1)SC,CI,0 | |
| CC1CC(C)S(=O)CS1.CC1CC(C)S(=O)CS1,CI,0 | |
| CC1CC(C)S(=O)C(C)S1,CI,0 | |
| F[P-](F)(F)(F)(F)F.c1ccc(C[S+]2CCCC2)cc1,CI,0 | |
| O=C1NN2CCN=C2c2cccnc21,CI,0 | |
| O=C1NN2CCN=C2c2ncccc21,CI,0 | |
| O=C(O)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12,CM,1 | |
| Cc1nc2c(=N)[nH][nH]c(=O)n2n1,CI,0 | |
| c1ccc(-c2cc(Nc3ccc4c(c3)OCO4)c3cc(C4CCCCC4)ccc3n2)cc1,CI,0 | |
| O=C(Nc1cccc([N+](=O)[O-])c1)OCc1ccc2c(c1)OCO2,CI,0 | |
| COc1ccc(C2C3C(=O)OCCOC(=O)C3C2c2ccc(OC)c(OC)c2)cc1OC,CI,0 | |
| COC(=O)Nc1cc(N2CC=CCC2)n[c-](N)[n+]1=O,CI,0 | |
| N#Cc1c(N)nc2c(c(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1C#N,CI,0 | |
| COc1cc(C2c3cc4c(cc3CC3COC(=O)N32)OCO4)cc(OC)c1OC,CI,0 | |
| CC12C(=O)NC(c3ccncc3)(c3ccccc31)C1C(=O)N(c3ccccc3)C(=O)C12,CI,0 | |
| O=c1c(-c2ccccc2)nc2c[nH]ccn1-2,CI,0 | |
| CCC12OC(COc3ccccc3)CN1CCN2c1ccccc1,CI,0 | |
| O=c1nc(N2CCCC2)oc2cc3ccccc3cc12,CI,0 | |
| CSc1c(C#N)c(O)nc2c1CCc1ccccc1-2,CI,0 | |
| COC1=CC(=O)C(C#CCOCc2ccccc2)=CC1=O,CI,0 | |
| CN1C(=O)C2N(N(C)C1=O)C1(Br)C(=O)NC(=O)C21Br,CM,1 | |
| CCCCNC=C1C(=O)Nc2ccccc2NC1=O,CI,0 | |
| Cc1cc2c(oc(=O)c3cc(C)sc32)s1,CI,0 | |
| O=c1cc(O)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12,CI,0 | |
| O=[N+]([O-])c1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1,CI,0 | |
| CCOC(=O)C12C3C(=O)N(CC)C(=O)C3ON1OC1C(=O)N(CC)C(=O)C12,CI,0 | |
| OCC1OC(n2cnc3c2N=CNCC3O)C(Cl)C1O,CI,0 | |
| O=C1CN(c2ccccc2)C(=O)C1C(=O)Nc1ccc(Cl)c(Cl)c1,CI,0 | |
| Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=CC1CC2C=CC1C2,CI,0 | |
| Cc1ccc(S(=O)(=O)O)cc1.Cn1cccc1C=NNC(=N)NO,CI,0 | |
| Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1nccc2ccccc12,CI,0 | |
| CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,CI,0 | |
| c1cnn([B-]2(n3cccn3)n3ccc[n+]3[B-](n3cccn3)(n3cccn3)n3ccc[n+]32)c1,CI,0 | |
| N=C1NC(c2ccccc2[N+](=O)[O-])P(=O)(Nc2ncccn2)S1,CI,0 | |
| C#CCN1CCN(C(=S)NN=C(C)c2ccccn2)CC1,CI,0 | |
| COc1cc2c(cc1OC)C1C(=O)c3cc(OS(C)(=O)=O)c(OC)cc3C1N(C)C2=O,CI,0 | |
| COc1cc2oc3cc(=O)cc4oc(-c5ccccc5)cc(c2c2c1CCC(c1ccccc1)O2)c43,CI,0 | |
| C1CCN2CC3CC(CN4CCCCC34)C2C1.O=S(=O)(O)O,CI,0 | |
| COC(=O)C(=O)C1CSC2=C(CS(=O)(=O)c3ccccc32)C1=O,CI,0 | |
| O=C1C(C2CCCCC2)=C2OCC3COC2(O3)c2ccccc21,CI,0 | |
| COC(=O)c1noc2c1CSC1=C2CS(=O)(=O)c2ccccc21,CI,0 | |
| O=c1ccn(C2C=C(CO)C(O)C2O)c(=O)[nH]1,CI,0 | |
| COc1cc(C(CC(C)=O)c2cc3c(cc2OC(C)=O)OCO3)cc(OC)c1OC.COc1cc(C(c2cc3c(cc2O)OCO3)C(C(C)=O)C(C)=O)cc(OC)c1OC.COc1cc(C2c3cc4c(cc3OC(C)(O)C2C(C)=O)OCO4)cc(OC)c1OC,CI,0 | |
| CC(=O)N1CCCN(C)C1=N[N+](=O)[O-],CI,0 | |
| O=C1C=C(CCC2=CC(=O)c3ccccc3C2=O)C(=O)c2ccccc21,CI,0 | |
| CC1(C)CCCC2(C)C3=C(CCC12)C(=O)OC3,CI,0 | |
| C[n+]1c(-c2ccc(C=NNc3ccnc(NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)n3)cc2)cn2ccccc21,CM,1 | |
| C[n+]1c(-c2ccc(C=NNc3n[nH]c(=S)n3N=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21,CI,0 | |
| C[n+]1c(COc2ccc(C=NNC(=O)CCC(=O)NN=Cc3ccc(OCc4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,CM,1 | |
| C[n+]1c(COc2ccc(C=NNc3ccnc(NN=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)n3)cc2)cn2ccccc21,CI,0 | |
| C(=NNC1=NCCN1)c1ccc(-c2cn3cc(C=NNC4=NCCN4)ccc3n2)cc1,CI,0 | |
| CCn1c2ccccc2c2c3ncc4cccn4c3ccc21,CI,0 | |
| O=C(Nc1ccccc1)c1cc2ccccc2oc1=O,CI,0 | |
| CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1ncccn1,CI,0 | |
| COc1ccc(Nc2c3sc4cc(OC)ccc4nc-3c3ccccc3c2=O)cc1,CI,0 | |
| O=c1c2ccc(Cl)cc2nc2nc(-c3ccccc3)c3cc(Cl)ccc3n12,CI,0 | |
| Cc1n[nH]c(=O)c2cc3oc4ccccc4c3n12,CI,0 | |
| Cn1nc2c(c(Cl)c1=O)Nc1ccccc1O2,CI,0 | |
| CCOc1c2c(nn(C)c1=O)Oc1ccccc1N2CCCN1CCOCC1,CI,0 | |
| O=P(OC1=CCCCC1)(c1ccccc1)c1ccccc1,CI,0 | |
| O=S(=O)(O)c1ccc(OCCCCCCCCOc2ccc(S(=O)(=O)O)cc2)cc1,CI,0 | |
| CN1c2ccccc2C(=O)N2C(=O)CCC21C,CI,0 | |
| CN1CCN(c2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1,CI,0 | |
| Cc1ncc(CO)c(CO)c1OCC(O)CN1CCN(C(=O)c2ccccc2)CC1.O=C(O)C(=O)O,CI,0 | |
| CN1CCC2CC1c1ccn(C)c1C2=O,CI,0 | |
| O=C(CN1CCC(O)(c2ccccc2)CC1)N1CCN(C=Cc2ccccc2)CC1,CI,0 | |
| CSc1nc(C)c(C(=O)CCN2CCN(c3ccccn3)CC2)s1,CI,0 | |
| CSc1nc(C)c(C(=O)CCN2CCOCC2)s1,CI,0 | |
| CN1CCC2c3c([nH]c4ccccc34)C(C)(C)OC2C1,CI,0 | |
| O=C(O)C=CC(=O)O.OCCN1CCN(C2=Nc3cccnc3Nc3cscc32)CC1,CI,0 | |
| O=C1Nc2cccnc2NC2=C1CSC2,CI,0 | |
| CSC1=Nc2cccnc2Nc2cscc21,CI,0 | |
| O=C1NC2Cc3ccccc3C(C2)O1,CI,0 | |
| CCC[N+]1=Cc2ccccc2OC(=O)C=C1O,CI,0 | |
| COc1cc(C(=O)n2c(=O)oc(=O)c3cc([N+](=O)[O-])ccc32)cc(OC)c1OC,CI,0 | |
| Clc1cccc2[nH]c(-c3ccncc3)nc12,CI,0 | |
| O=C(NNC(=S)NC1OC(CO)C(O)C(O)C1O)c1cccc(C(=O)NNC(=S)NC2OC(CO)C(O)C(O)C2O)n1,CI,0 | |
| CCC1(OC(=O)CN2CCN(CCO)CC2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,CI,0 | |
| COc1ccc(-n2nc3c4ccccc4[nH]cc-3c2=O)cc1,CI,0 | |
| O=C(CSc1nnc(-c2ccc(Cl)cc2)s1)Nc1nccs1,CI,0 | |
| S=c1sc(-c2ccc(Cl)cc2)nn1CSc1nc2ccccc2o1,CI,0 | |
| S=c1sc(-c2ccc(Cl)cc2)nn1CSc1nc2ccccc2[nH]1,CI,0 | |
| CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2,CI,0 | |
| CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C)C(N)=O,CI,0 | |
| CC(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)O,CI,0 | |
| CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C)C(N)=O,CI,0 | |
| CC(=O)O.CCNC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1,CI,0 | |
| COc1cc(C2c3c(oc4ccccc4c3=O)Oc3oc4ccccc4c(=O)c32)cc(OC)c1O,CI,0 | |
| O=c1oc2ccccc2c(O)c1C(c1ccc2c(c1)OCO2)N1CCCC1,CI,0 | |
| O=c1oc2ccccc2c(O)c1C(c1ccc2c(c1)OCO2)c1c(O)c2ccccc2oc1=O,CI,0 | |
| CN1c2ccccc2S(=O)(=O)n2c(CCc3ccccc3)nnc21,CI,0 | |
| CC1=NN(C2=NS(=O)(=O)c3ccccc3N2C)C(=O)C1,CI,0 | |
| CC1=CC(C)(C)NN1C1=NS(=O)(=O)c2ccccc2N1C,CI,0 | |
| Cc1cc(C)n(C2=NS(=O)(=O)c3ccccc3N2C)n1,CI,0 | |
| O=S1(=O)c2ccccc2N(c2ccccc2)c2nnnn21,CI,0 | |
| O=S1(=O)c2ccccc2N(c2ccccc2)C2=NCCN21,CI,0 | |
| C[n+]1c(COc2ccc(C=NN3CCN(N=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)CC3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,CI,0 | |
| CC12CN3CC(C)(C1=O)C(=O)C(C)(C3)C2=O,CI,0 | |
| Cc1noc2c1CSC1=C2S(=O)(=O)N(C)c2ccccc21,CI,0 | |
| CN1c2ccccc2C2=C(C3=C(CS2)C(=O)CCS3)S1(=O)=O,CI,0 | |
| CN1c2ccccc2C2=C(C(=O)CCS2)S1(=O)=O,CI,0 | |
| COC(=O)C1N2C(=O)C=NOC2SC1(C)C,CI,0 | |
| CN1c2c(C(=O)NCCCN3CCOCC3)nn(-c3cccc(C(F)(F)F)c3)c2-c2ccccc2S1(=O)=O,CI,0 | |
| CCN(CC)CCNC(=O)c1nn(-c2ccc(C)cc2)c2c1N(C)S(=O)(=O)c1ccccc1-2,CI,0 | |
| CN1c2c(C(=O)Nc3nccs3)nn(-c3ccccc3)c2-c2ccccc2S1(=O)=O,CI,0 | |
| Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1CS(=O)C2,CI,0 | |
| CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1CS(=O)(=O)C2,CI,0 | |
| CN1C(=O)OC2OC(C)(c3ccc(S(=O)(=O)c4ccccc4)cc3)C(=O)CC21,CI,0 | |
| O=C1CCC(NC(=O)c2ccccc2)C(=O)N1,CI,0 | |
| OC1c2ccccc2C(O)c2c1ccc1c2CN(Cc2ccccc2)CC1,CI,0 | |
| N=c1c2ncn3c(=O)n(-c4ccccc4)c(nc(=O)n1-c1ccccc1)c23,CI,0 | |
| COC(=O)c1nc(O)c(C#N)c(C(=O)OC)c1C(=O)C=Cc1ccccc1,CI,0 | |
| COC(=O)c1c(C#N)c(O)nc(-c2ccccc2)c1-c1ccccc1,CI,0 | |
| COc1ccc(C23OCCN2C(=O)c2ccccc23)cc1,CI,0 | |
| CCOC(=O)C1=C(SC)SC(C(=O)OCC)C2C=C(C)C=CN12,CI,0 | |
| CCc1c(O)sc2c(c1=O)=C(NCC(C)C)CC(C)(C)N=2,CI,0 | |
| CCC1=C(O)N=C2SC(C)(C)CC(NCC(C)C)=C2C1=O,CI,0 | |
| CC1(C)OC2C(=O)C=C(COCc3ccccc3)C2O1,CI,0 | |
| CCOC(=O)c1noc(Oc2ccc(Cl)cc2Cl)n1,CI,0 | |
| CC1CCC2(CC1)CC(=O)N(N1CCOCC1)C(=O)C2,CI,0 | |
| CC1CCC2(CC1)CC(=O)N(N1CCCCC1)C2=O,CI,0 | |
| OC1=C2Nc3ccccc3N=C2OC1c1ccncc1,CI,0 | |
| COC(=O)CSc1nnc(CSc2ccc(Cl)cc2)n1-c1ccccc1,CI,0 | |
| O=C1C2CCSCN2C(=O)N1c1ccccc1,CI,0 | |
| O=C1N=C2NC=NN2C1=NNc1ccccc1,CI,0 | |
| CC1=Nc2ncnn2C1=NNc1ccccc1,CI,0 | |
| Cc1c(N=Nc2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccccc3)n12,CI,0 | |
| O=S1(=O)CS(=O)(=O)OCCCCCO1,CI,0 | |
| CC1S(=O)(=O)OCCCOS1(=O)=O,CI,0 | |
| Cc1ccc(-n2c(CSc3ccc(Cl)cc3)nnc2SCc2nc3ccccc3[nH]2)cc1,CI,0 | |
| OCCC(N1CCOCC1)C(O)(c1ccccc1)c1ccccc1,CI,0 | |
| CNc1ncn(-c2c(C)cccc2C)c(=O)n1,CI,0 | |
| O=[N+]([O-])c1ccc(C=CC=CC=CC=Cc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1,CI,0 | |
| Cc1cc(C(F)(F)F)nc2nc3ccccc3n12,CI,0 | |
| CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2=C3C(=O)c3ccc(C4CC(OC5CCC(OC6CC(O)C(O)C(C)O6)C(C)O5)C(O)C(C)O4)c(O)c3C2=O)CCC1O,CI,0 | |
| CC1(CO)COC(=O)C(C)(C2(C)NC(C)(CO)COC2=O)N1,CI,0 | |
| Sc1nc2c(c(-c3nc(S)nc4c3CCCCC4)n1)CCCCC2,CM,1 | |
| O=C(CSc1nnc(CSc2ccc(Cl)cc2)n1-c1ccccc1)NC(=O)Nc1ccccc1,CI,0 | |
| N=C1NC2CSC(CCCCC(=O)ON3C(=O)CCC3=O)C2N1,CI,0 | |
| CC1(C)OP(=O)(O)C=C1[Se]c1ccccc1,CI,0 | |
| CC(C)(C)C1=CP(=O)(c2ccccc2)C=C(C(C)(C)C)N1,CI,0 | |
| Cc1cc2n(n1)C(C)(C)C(=O)Nc1ccc(Cl)cc1-2,CI,0 | |
| COC(=O)C1NC(C)(C(=O)OC)C2C(=O)NC(=O)C12,CI,0 | |
| CN(C)C1CS(=O)(=O)OC2=C1CCc1sccc12,CI,0 | |
| Cn1ccc2c3c(ccc21)C(N1CCOCC1)=CS(=O)(=O)O3,CI,0 | |
| O=c1cc(N2CCOCC2)n2ccccc2n1,CI,0 | |
| COC(=O)C=c1sc2n(c1=O)CCCCN=2,CI,0 | |
| Brc1ccc2c(ccc3nc4nnnn4nc32)c1,CI,0 | |
| N#Cc1n[nH]c2[nH]c(=S)sc(=N)c12,CI,0 | |
| COc1ccc(CCn2cnn3c(=O)c4ccccc4nc3c2=O)cc1OC,CI,0 | |
| O=C1N=CC2(N=N2)C(=O)N1,CI,0 | |
| c1coc(-c2cc(-c3cc(-c4ccco4)on3)no2)c1,CI,0 | |
| Cn1c2ccccc2c2oc(CO)cc(=O)c21,CI,0 | |
| CC(C)(C)c1onc2c1C(=O)c1ccccc1-2,CI,0 | |
| COC(=O)C=C(Sc1nc(Cl)c(Cl)nc1N)C(=O)OC.COC(=O)C=C1Sc2nc(Cl)c(Cl)nc2NC1=O,CI,0 | |
| COC(=O)C1=NC(=N)N=C(C(=O)OC)C12C(=O)Cc1ccccc12,CM,1 | |
| Cl[Pt-2]1(Cl)NC2CCCC2N1,CI,0 | |
| Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccc(OCc2ccccc2)cc1,CI,0 | |
| O=C1C(=Cc2ccccc2)CCCC12C(c1ccccc1)N2Cc1ccccc1,CI,0 | |
| COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)c1ccccc1,CI,0 | |
| COC(=O)C1=NC(=S)N=C(C(=O)OC)C12Cc1ccccc1C2=O,CI,0 | |
| c1ccc2c(c1)NN1Nc3cccnc3N21,CI,0 | |
| O=c1oc2c(-c3ccccc3)nnc(O)c2c2c1CCCC2,CI,0 | |
| COc1cc(C2c3cc4c(cc3OC3(N5CCCC5)CCCC23)OCO4)cc(OC)c1OC,CI,0 | |
| CC(C)N1C(=O)NC2C1NC(=O)N2C(C)C.CC(C)N1C(=O)NC2NC(=O)N(C(C)C)C21,CI,0 | |
| CC(=O)OCC1OC(OC(C)=O)C(On2nnc3c(-c4ccccc4)c(C)nn32)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| Cc1nn2c(nnn2CCO)c1-c1ccccc1,CI,0 | |
| Cc1c(C)n2c(=O)n(-c3ccccc3)c(=O)n2c1=O,CI,0 | |
| COC1c2ccccc2CC(c2ccccc2)=NN1C(C)=O,CI,0 | |
| OCCN1CCN(CCCN2c3cc(Cl)ccc3Sc3ccsc32)CC1,CI,0 | |
| CC(C)(C)c1noc2c1C(=O)c1ccccc1-2,CI,0 | |
| O=S(=O)(c1ccccc1)C1C(O)CC2OC21,CI,0 | |
| C[n+]1c(-c2ccc(C=NN3CCN(N=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)CC3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,CI,0 | |
| COc1cc2c3c(c1OC)-c1[nH]c4ccccc4c1C1CCCN(CC2)C31,CI,0 | |
| Cn1c2ccccc2c2nnc(NN=Cc3ccncc3)nc21,CI,0 | |
| Cn1c2ccccc2c2nnc(NN=Cc3ccccn3)nc21,CI,0 | |
| Cn1c2ccccc2c2nnc(NN=Cc3ccc([N+](=O)[O-])o3)nc21,CI,0 | |
| C=C1CC2(C)c3ccccc3NC(=O)C12,CM,1 | |
| CSc1nnc2[nH]cnn12,CI,0 | |
| CC(=O)N1CN=C2Sc3ccccc3N2C1,CI,0 | |
| COc1cc(C(c2cc3c(cc2O)OCO3)N2CCCC2)cc(OC)c1OC,CI,0 | |
| CCOC(=O)Nc1cc(NC(C)C(=NO)c2ccccc2)c([N+](=O)[O-])c(N)n1,CI,0 | |
| O=C(CN1CCC(O)(c2ccc(F)cc2)CC1)N1CCN(CC=Cc2ccccc2)CC1,CI,0 | |
| O=C1CSC(=Nc2ccc(F)cc2F)N1Cc1cccs1,CI,0 | |
| c1cnc(NC(Nc2cnccn2)C2CCCCC2)cn1,CI,0 | |
| O=C(C=Cc1ccccc1)NCCC1(O)C(=O)Nc2ccccc21,CI,0 | |
| Cc1ccc(C2(c3ccccc3)OC3OC=CC32)cc1,CI,0 | |
| OC1C=CCC2C(F)(F)C(F)(Cl)C12Cl,CI,0 | |
| CCOC(=O)C=C1CONC(c2ccc(OC)cc2)=N1,CI,0 | |
| O=C1C[O+]2CC[O+]1[Co-4]21(O)(Cl)[O+]2CC[O+]1C(=O)C2,CI,0 | |
| Cc1ccc(Nc2nnc(CSc3ccc(Cl)cc3)s2)c(S(=O)(=O)O)c1,CI,0 | |
| CC1(C)CNC(=O)C(C)(C2(C)NC(C)(C)CNC2=O)N1,CI,0 | |
| Cn1c(=O)ccc2c1nc1cccc[c-]1[n+]2=O,CI,0 | |
| N=c1ccc2c(nc3cccc[c-]3[n+]2=O)n1Cc1ccncc1,CI,0 | |
| O=C(O)CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1,CI,0 | |
| CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4,CI,0 | |
| COC1C(N)C(OC2C(Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)OC(C)C(O)C2(C)O)OC(C)C1O,CI,0 | |
| C1=C(C2CCCC3C4CC(CN23)C2CCCCN2C4)CCC2C3CC(CN12)C1CCCCN1C3,CI,0 | |
| COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4.c1ccccc1,CI,0 | |
| COc1ccc(-n2c(CSc3ccc(Cl)cc3)n[nH]c2=S)cc1,CI,0 | |
| O=c1c(-c2nnn[nH]2)cnc2sc3cc(Cl)ccc3n12,CI,0 | |
| CC(C)Oc1nc(N2CCNCC2)nc2c1CCC2.O=C(O)C(=O)O,CI,0 | |
| O=C(Nc1nc2ccc(Cl)cc2[nH]1)c1ccccc1O,CI,0 | |
| O=NC1=C(c2ccccc2)Nc2ccccc2S1,CI,0 | |
| O=Nc1c(-c2ccccc2)[nH]c2cc(-c3ccccc3)nn12,CI,0 | |
| C=C(C)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSC(C)(C)C,CI,0 | |
| N=c1ccn(C2OC(CO)C(OP(=O)(O)O)C2O)c(=O)[nH]1.N=c1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1,CI,0 | |
| CCOC(=O)c1cnc2c3c(noc13)CCC2,CI,0 | |
| O=C1CC2OC3=C(C(=O)CCC3)C2O1,CI,0 | |
| CC1(O)CC2(O)C=CC3=C(C(=O)c4cccc(O)c4C3=O)C2(O)C(=O)C1O,CI,0 | |
| Cc1cc2cc(O)c3c(=O)c4c(O)cccc4c(=O)c3c2c(=O)c1=O,CI,0 | |
| CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C1(C)C1C2(C(=O)OC)OCC1(C3O)C1(O)C3CC(C4(O)C=COC4O3)C1(C)O2,CI,0 | |
| C=C1C(O)C2(O)OCC34C(CC5C(C)=CC(=O)C(O)C5(C)C23)OC(=O)C(OC(=O)CC=C(C)CCCCC)C14,CI,0 | |
| COc1c(OCC(O)CN2CCCCC2)c2c(C)coc2c2ccoc12,CI,0 | |
| Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)O,CI,0 | |
| Cc1ccc(C)n1N1CCOCC1,CI,0 | |
| COc1ccc(Cc2nnc3nc(OC)c(-c4ccc(OC)cc4)n3n2)cc1,CI,0 | |
| O=c1oc2ccccc2c(O)c1C(c1ccc2c(c1)OCO2)N1CCOCC1,CI,0 | |
| CC1(C)OC2OC(C3COS(=O)O3)C(Cl)C2O1,CI,0 | |
| ClCc1ccccc1NC1=Nc2ccccc2CO1.O=C(Nc1ccccc1CCl)Nc1ccccc1CCl,CI,0 | |
| Cc1ccc(C=C2NC(=[Se])N(C)C2=O)cc1,CI,0 | |
| CCCCN1C(=O)C2C(C1=O)C(c1ccccc1O)C2c1ccccc1O,CI,0 | |
| O=C1Oc2ccccc2C2C1C1C(=O)Oc3ccccc3C12,CI,0 | |
| C[N+]1=[O+][Cu-5]2345[O+]=[N+](C)[N-]N2c2ccccc2[S+]3CC[S+]4c2ccccc2N5[N-]1,CI,0 | |
| C[N+]1=[O+][Co-4]2345[O+]=[N+](C)[N-]N2c2ccccc2[S+]3CC[S+]4c2ccccc2N5[N-]1,CI,0 | |
| Cc1csc2nc(-c3ccco3)nn12,CI,0 | |
| COc1ccc2c(c1OC)C1N(C)CCc3cc4c(cc3C1(OC)C2=O)OCO4,CI,0 | |
| CCOC(=O)C(C(=O)OCC)=S1c2ccccc2Sc2ccccc21,CI,0 | |
| COc1ccc2c(n1)Sc1nc3ccccc3nc1N2,CI,0 | |
| O=C1CSC(=Nc2ccccc2)N1c1ccc(-n2c(-c3ccc(N=Cc4ccc(Cl)cc4)cc3)nc3ccccc3c2=O)cc1,CI,0 | |
| COc1ccc(Nc2nc3c(s2)c(C)c(O)c2ccccc23)cc1,CM,1 | |
| c1cc(SSc2ccncc2)ccn1,CI,0 | |
| Cc1cn2c(n1)Nc1sc3c(c1C2)CCCC3,CI,0 | |
| Clc1ccc(-c2csc3nc(-c4cccs4)nn23)cc1,CI,0 | |
| Cc1csc2nc(-c3cccs3)nn12,CI,0 | |
| c1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)cc1,CI,0 | |
| COC1=CC=C2Nc3nc(N)nc(O)c3SC2N1,CI,0 | |
| Cc1nnc2c3nccnc3c(=N)[nH]n12,CI,0 | |
| Cc1nnc2c3nccnc3c(Cl)nn12,CI,0 | |
| COC(=O)C1(C(=O)OC)CCCC2=NOC3CCC1C23,CI,0 | |
| Cc1ccccc1N1C(=S)N(c2ccccn2)C2=Nc3ccccc3NC1=C2N=Nc1ccccn1,CI,0 | |
| COc1ccccc1N1C(=S)N(c2ccccc2C)C2=C(N=Nc3ccccn3)C1=Nc1ccccc1N2,CI,0 | |
| CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)-c1ccc(OC)cc1CCC2,CI,0 | |
| COc1ccccc1OCC(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)OC(N)=O,CI,0 | |
| CCC(=O)N=c1sc(SCc2ccccc2)nn1C(=O)SC.CSC(=O)N=c1sc(SCc2ccccc2)nn1C(=O)SC,CI,0 | |
| CSc1c(N(C)C)c(=O)c1=S,CI,0 | |
| O=C1CC2C(C1Nc1ccccc1)C1C(=Nc3ccccc3)C(Nc3ccccc3)=CC1N2c1ccccc1,CI,0 | |
| Nc1nc(O)c2nc(CO)ccc2n1,CI,0 | |
| O=C1CC2C3C1N(c1ccc(Cl)cc1)C1(Nc4ccc(Cl)cc4)C(=O)CC(C31)N2c1ccc(Cl)cc1,CI,0 | |
| c1ccc(-c2nnc3sc4ccccc4n23)cc1,CI,0 | |
| O=C(O)O.O=C1C=C(N2CCN(CCO)CC2)C(=O)c2c(N3CCN(CCO)CC3)cc(N3CCN(CCO)CC3)nc21,CI,0 | |
| COc1ccc2nccc(NCCCN3CCN(CCCNc4ccnc5ccc(OC)cc45)CC3)c2c1,CI,0 | |
| COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N4CCCC4)C3=O)N1CC1NC12,CI,0 | |
| CC1(C)COC(c2cccc3c2C2C=CC3O2)=N1,CI,0 | |
| C[n+]1c(-c2ccc(C=NNC(=S)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,CM,1 | |
| c1ccc2c(c1)[nH]c1c2c(N2CCOCC2)nn2cnnc12,CI,0 | |
| c1ccc2c(c1)[nH]c1c(N3CCOCC3)nnc(N3CCOCC3)c12,CI,0 | |
| Oc1ccnc(Nc2cccnc2S)n1,CI,0 | |
| COc1ccc(NC(=O)N=C2CN(C(=O)c3c(F)cccc3F)C(=O)N2c2ccc(OC)cc2)cc1,CI,0 | |
| O=C1CC2(CC=CCC23OCCO3)CC(CI)O1,CI,0 | |
| C=CCC1(C(C)C(O)c2cc(OC)c(OC)c(OC)c2)CC(O)C=CC12OCCO2,CI,0 | |
| CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Pt-4]2(Cl)(Cl)(Cl)[n+]2ccccc21,CI,0 | |
| CC1=CC(O)(c2ccccn2)P(=O)(c2ccccc2)C=C1C,CI,0 | |
| COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC,CI,0 | |
| Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O,CI,0 | |
| O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cc(Nc4nc(Cl)nc(Nc5ccc(S(=O)(=O)O)cc5)n4)ccc3S(=O)(=O)O)c(O)c12)c1ccccc1.[NaH],CI,0 | |
| C[n+]1c(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21,CM,1 | |
| C[n+]1c(-c2ccc(C=NNC(=O)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1,CA,1 | |
| Clc1nc(Cl)nc(Nc2ncccn2)n1,CI,0 | |
| O=C1NC2CC1C(O)C2O,CI,0 | |
| COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(C)c4ccc(O)cc4)C3=O)N1CC1NC12,CI,0 | |
| c1ccc(C[N+]23CCC(CC2)C3c2ccccc2)cc1,CI,0 | |
| COc1ccc2c(c1)CCC1C=NOC21,CI,0 | |
| c1cc(-c2ncc3ccncc3n2)ccn1,CI,0 | |
| O=c1n(-c2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1,CI,0 | |
| O=C1CN2C(=O)Nc3ccccc3C2=N1,CI,0 | |
| CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1cccc2cccnc12,CI,0 | |
| O=c1c2ccccc2c2nccn2c2ccccc12,CM,1 | |
| O=C1NC2(CN3CCC2CC3)C(=O)N1CN(Cc1ccccc1)c1ccccc1,CI,0 | |
| COc1ccc2c(c1)CCC1=C2CC(=O)N2CCCCN12,CI,0 | |
| CN1C2C=CC1c1c(C3=NC(C)(C)CO3)cccc12,CI,0 | |
| O=c1oc2ccccc2c2c1SC(c1ccncc1)C2,CI,0 | |
| NC(=O)C1=Cc2cccn2-c2ccccc2S1,CI,0 | |
| O=C1CSc2ccccc2-n2cccc21,CI,0 | |
| OC1CSc2ccccc2-n2cccc21,CI,0 | |
| Cl[Pt-4]1(Cl)(Cl)(Cl)NC2CCCCC2N1,CI,0 | |
| COC(=O)C12CC3CC(CC(NC(=O)C(Cc4ccccc4)NC(=O)CN)(C3)C1)C2,CI,0 | |
| Cc1nc2c(cnn2C)cc1CCc1ccccc1,CI,0 | |
| Cc1nc2ccnn2c(O)c1CCc1ccccc1,CI,0 | |
| CNC.Cn1c(=S)[nH]n(CCOc2ccccc2)c1=S,CI,0 | |
| CCOCCN(CCOCC)C(=O)c1ccc2c(c1)no[n+]2[O-],CI,0 | |
| c1ccc2c(c1)[nH]c1c2nc2ncccn21,CI,0 | |
| COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,CI,0 | |
| CC1C2C1C1C3NN=CC3C2n2c(=O)n(-c3ccccc3)c(=O)n21,CI,0 | |
| NC(=O)c1nc(C2OC(CO)C(O)C2O)cs1,CI,0 | |
| COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(O)C(OC7CC(O)C(OC)C(C)O7)C(C)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(CO)=CC4C=C2C)OC3=O)CC1(C)[N+](=O)[O-],CI,0 | |
| C1COCCOCCOCCOCCOCCO1.Cl[Sn](Cl)(c1ccccc1)c1ccccc1,CI,0 | |
| CSC(=NN=C(C)c1ccccn1)SSC(=NN=C(C)c1ccccn1)SC,CI,0 | |
| CC(=NNC(=S)N1CCC(C2CCN(C(=S)NN=C(C)c3ccccn3)CC2)CC1)c1ccccn1,CI,0 | |
| O=[N+]([O-])c1ccc(C=C2C=CN(CCO)C=C2)cc1,CI,0 | |
| O=C(O)c1nn(-c2ccccc2-c2nnc(O)nc2O)c(=O)[nH]c1=O,CI,0 | |
| CCOC(=O)c1cn(C)c2c1C(=O)C(C(=O)OCC)CC(=O)N2,CI,0 | |
| COc1ccc(N2CCCSC2=S)cc1,CI,0 | |
| CC1CC(Nc2ccc(NC3=CC(=O)OC(C)C3)cc2)=CC(=O)O1,CI,0 | |
| CN1C(=O)CCCCCCCCCCSc2ccccc21,CI,0 | |
| CC(N1CCS(=O)(=O)CC1)P(=O)(O)O,CI,0 | |
| Cc1oc2c(c(C)nn2-c2ccccc2)c(=O)c1Cl,CI,0 | |
| CC(=O)OCC1OC(Nc2nncs2)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| c1ccc(CN2COCOC3CCCC32)cc1,CI,0 | |
| CC(C)(C)N1COCOC2CCCC21,CI,0 | |
| O=c1oc2ccccc2c2c1Sc1ccccc1N2,CI,0 | |
| Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc21,CI,0 | |
| CC1=C2CCCCCC2(O)OC1=O,CI,0 | |
| c1cnn(P2(n3cccn3)=NP(n3cccn3)(n3cccn3)=NP(n3cccn3)(n3cccn3)=NP(n3cccn3)(n3cccn3)=NP(n3cccn3)(n3cccn3)=NP(n3cccn3)(n3cccn3)=N2)c1,CI,0 | |
| Cc1ccn2cc(-c3ccc(C=NNC(=N)N)cc3)[n+](C)c2c1,CI,0 | |
| CC1C(=O)OCC2=C3CC(CCC3(C)C=CC2=O)C(C)C(=O)OCC2=C3CC1CCC3(C)C=CC2=O,CI,0 | |
| COc1ccc(C2CN(C(=O)c3ccccc3)N=C(c3ccccc3)O2)cc1,CI,0 | |
| CCCC(=O)Nc1ccc(C2=NNC(=O)C3CC23)cc1,CI,0 | |
| CN1C(c2ccccc2)CC(=NOCc2ccccc2)CC1c1ccccc1,CI,0 | |
| Cc1ccc2c(c1)C1(C)OC(C=CC1=O)O2,CI,0 | |
| N#CC=Cc1ccc([N+](=O)[O-])s1.N#CC=Cc1ccc([N+](=O)[O-])s1,CI,0 | |
| O=C1N(CCO)C2=CCCCC23c2[nH]c4ccccc4c2CCN13,CI,0 | |
| CC1CC12OC(=O)N(c1cc(Cl)cc(Cl)c1)C2=O,CI,0 | |
| Cc1nc(O)nc(O)c1CCSSCCc1c(C)nc(O)nc1O,CI,0 | |
| O=[N+]([O-])c1ccc(NN=C2CCCCC(=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS(=O)(=O)C2)c([N+](=O)[O-])c1,CI,0 | |
| Cc1nc2cc(C)[nH]c(=O)n2n1,CI,0 | |
| N=C1NCc2c(sc3c2CCCC3)N1,CI,0 | |
| CNC(=O)c1ccccc1CNC(=S)Nc1cccc(C)c1,CI,0 | |
| CCOC(=O)c1sc2nc(CN3CCOCC3)nc(O)c2c1C,CI,0 | |
| C[n+]1c(-c2ccc(C=NNC(=N)N)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1,CI,0 | |
| CSC1=Nc2sc3c(c2CN1)CCCC3,CI,0 | |
| CC1(C)C2CCC(C2)C1C=C1SC(=S)NC1=O,CI,0 | |
| CSC1=Nc2ccccc2SC(c2ccccc2)C1c1ccccc1,CI,0 | |
| CC1=NN(c2ccccc2)[As]2ON=C(c3ccc(Cl)cc3)C12,CI,0 | |
| CC(=O)N1N=C(C)C2ON=C(c3ccc(Cl)cc3)P21,CI,0 | |
| CC1(C)C(=O)NC(=O)c2ccccc21,CI,0 | |
| Brc1ccc(-c2ccc3nnnn3n2)s1,CI,0 | |
| CCOC(=O)C1Sc2c(c(=O)n(C)c3ccccc23)C1=O,CI,0 | |
| CC[n+]1c(-c2cnccn2)n(C)[nH]c1=S,CI,0 | |
| COC(=O)C1=C(N)SSC1=C(N=Nc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-],CI,0 | |
| COC(=O)C1=C(N)SSC1=C[N+](=O)[O-],CI,0 | |
| CCOC1CSc2ccccc2C(c2ccccc2)=N1,CM,1 | |
| NCP1(=O)CNC(=O)NC1,CI,0 | |
| Cc1nc2ccc3c(ccc4nc(C)c(N=Nc5ccc(C(=N)N)cc5)c(O)c43)c2c(O)c1N=Nc1ccc(C(=N)N)cc1,CI,0 | |
| Cc1nc2ccccc2c2nnc(SCC(=O)N(Cc3ccccc3)c3ccccc3)n12,CI,0 | |
| O=C(Nc1cccc(NC(=O)c2nnn[nH]2)n1)c1nnn[nH]1,CI,0 | |
| O=C1CN2Cc3c(sc4c3CCCC4)NC2=N1,CI,0 | |
| NC(=O)C1=CC2C3C=CC2(O)C(=O)OC3O1,CI,0 | |
| COc1ccc2[nH]c(C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c1,CI,0 | |
| O=c1oc2c(ccc3nc(-c4ccccc4)sc32)c(N2CCOCC2)c1Cl,CI,0 | |
| COn1c2ccccc2c2c1cc1cccc[c-]1[n+]2=O,CI,0 | |
| [O-][n+]1c2ccccc2cc2c1c1ccccc1n2O,CI,0 | |
| CC(=CCOc1ccc2ccc(=O)oc2c1)CC1C=C(C)C(=O)O1,CI,0 | |
| c1cc2cc3c(cc2o1)OCC1c2cc4c(cc2OC31)OCO4,CI,0 | |
| Cc1ccc2c(c1)nc(-c1ccccn1)n2CCc1ccccn1,CI,0 | |
| O=C(c1ccccc1)C12COc3ccccc3C1ON=C2c1ccccc1,CI,0 | |
| Cc1cc(C)c(C2=NOC3c4ccccc4OCC23)c(C)c1,CI,0 | |
| O=C1NC(=O)C2=C(CCCC2)C1=Cc1ccccc1,CI,0 | |
| CC1(C)OC2C(CF)OC(n3cc(Br)c(=O)[nH]c3=O)C2O1,CI,0 | |
| N#Cc1cc2ccccc2n(Cc2ccccc2)c1=O,CI,0 | |
| CC1=NNC(=O)C1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O,CI,0 | |
| Nc1nc(-c2ccccc2)nc2nc3c(nc12)-c1cccc2cccc-3c12,CI,0 | |
| CC=C(N=C=S)C(=O)OC1C(COC(C)=O)OC(C2(O)CC(=O)C(N)=C(C(=O)O)C2=O)C(O)C1OC1CC(OC)C(O)(C(C)OC(=O)C(C)CC)C(C)O1,CI,0 | |
| CC[Sn]1(CC)OC(=O)O[Sn](CC)(CC)O1,CI,0 | |
| C=C1c2ccccc2CCN1CC(=O)CC1C=CCS1(=O)=O,CI,0 | |
| O=C(CC1C=CCS1(=O)=O)NCc1ccccc1,CI,0 | |
| C=CCC1(c2ccc(OC)cc2)C=CC(=O)CC1,CI,0 | |
| c1cnc2c(c1)Oc1nc3ccccc3nc1S2,CI,0 | |
| Cn1c(N)c2c(=O)n(C)c3c(c2c(C#N)c1=O)CCSc1ccccc1-3,CI,0 | |
| COc1nc(N)nc2c1CSc1ccccc1-2,CI,0 | |
| CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)CCO3,CI,0 | |
| CN(C)c1cc[n+](C2C(=O)c3ccccc3N(c3ccccc3)C2=O)cc1,CI,0 | |
| CN1CCN(C(=O)N=NC(=O)N2CCN(C)CC2)CC1,CI,0 | |
| O=C(N=NC(=O)N1CCCCC1)N1CCCCC1,CI,0 | |
| O=C(N=NC(=O)N1CCOCC1)N1CCOCC1,CM,1 | |
| O=Nc1c2n[nH]c1CCCCCCCCC2,CI,0 | |
| O=C1OC(=O)N2CSCC12,CI,0 | |
| O=C1NC(Cc2ccccc2)C(=O)N2CSCC12,CI,0 | |
| O=S1(=O)CC(N2CCOCC2)C2=C(O1)c1sc(-c3ccccc3)nc1CC2,CI,0 | |
| Oc1nc2ccccc2c(O)c1-[n+]1ccccc1,CI,0 | |
| Nc1nc(S)nc2nc3c4ccccc4c4ccccc4c3nc12,CI,0 | |
| Cc1cn(C2CC3OP(=O)(OCc4ccccc4)OCC3O2)c(=O)[nH]c1=O,CI,0 | |
| CCCCCCN1CCN(Cc2ccc(N(CC)CC)cc2)C(=O)C1=O,CI,0 | |
| COc1c2occc2c(N=Cc2ccccn2)c2ccc(=O)oc12,CI,0 | |
| COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(=O)COc1ccccc1)CC2,CI,0 | |
| O=C(c1ccccc1)N1OC12CCCCC2,CI,0 | |
| CCCCCC1=CC2C(=O)NC(=O)NC12,CI,0 | |
| C1=C(N2CCOCC2)N(c2ccccc2)c2ccccc2N=C1N1CCCC1,CI,0 | |
| CCN(CC)C1=Nc2ccccc2N(c2ccccc2)C(SC)=C1,CI,0 | |
| CCN(CC)C1=Nc2ccccc2N(c2ccccc2)C(=S)C1,CI,0 | |
| O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(I)cc(I)c1O,CI,0 | |
| Cc1cnnc2c3ccccc3nn12,CI,0 | |
| c1ccc(-c2nnc3nn4c(-c5ccccc5)cnnc4c3c2-c2ccccc2)cc1,CI,0 | |
| c1ccc(-c2cnnc3c4ccccc4nn23)cc1,CI,0 | |
| Cc1nn(C)pc1P(C)(=S)n1nc(N(C)C)np1,CI,0 | |
| COC(=O)C1=C(C(=O)OC)P2(C)(C)SC(=S)N2C1(c1ccccc1)c1ccccc1,CI,0 | |
| CN(C)C1=c2c(=O)n(C)c(=O)n(C)c2=NC2C=CC=CN12,CI,0 | |
| O=c1c2ccccc2c(=O)n2n1C1CCC2C1,CI,0 | |
| O=c1c2ccccc2c(=O)n2n1C1C=CC2C1,CI,0 | |
| O=C1NC(=O)C(C(=O)Nc2ccc(Cl)cc2)c2ccccc21,CI,0 | |
| O=C1NC(=O)C2(CCOc3ccc(F)cc32)N1,CI,0 | |
| CN1CCCN=C1C=Cc1cccs1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,CI,0 | |
| Cc1ccc(C23c4ccccc4CCN2C(=O)C3N)cc1,CI,0 | |
| CN1C(=O)C(=NNC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,CI,0 | |
| COC(=O)C1([Se]c2ccccc2)CCN2CCC(OCc3ccccc3[N+](=O)[O-])C21,CI,0 | |
| CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1nccs1,CI,0 | |
| CC(=NNC(=S)N1CC2CCC(CC2)C1)c1nccs1,CI,0 | |
| O=C1N2CCNc3ccccc3C(c3ccccc3)N1CC2,CI,0 | |
| CCOC(=O)N1N=C(c2ccccc2)OC2(N3CCCC3)CCC(C(C)(C)C)CC12,CM,1 | |
| CCOC(=O)N1N=C(c2ccccc2)OC2(N3CCOCC3)CCC(C(C)(C)C)CC12,CM,1 | |
| COc1cc(O)c2c(c1)C(O)C(O)CC1OC1C(=O)C=CCC(C)OC2=O,CI,0 | |
| CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(=O)oc(-c3ccccc3)nc12,CI,0 | |
| O=c1oc(-c2cccc(-c3nc4c(c(=O)o3)CCS4)c2)nc2c1CCS2,CI,0 | |
| CC(C)c1nc2c(c(=O)o1)CCS2,CI,0 | |
| CC1=C([N+](=O)[O-])C(N2CCOCC2)C(C)(N2CCOCC2)S1,CI,0 | |
| CCOC(=O)c1cc2sc(NC(=O)c3ccccc3)nc2o1,CI,0 | |
| O=C(Nc1nc2ccsc2s1)c1ccccc1,CM,1 | |
| CCOC(=O)c1cc2sc(NC(=O)c3cccs3)nc2o1,CI,0 | |
| CCOC(=O)Nc1nc2c(s1)c([N+](=O)[O-])cn2C,CI,0 | |
| CCOC(=O)c1cc2nc(NC(=O)c3ccccc3)sc2n1C,CI,0 | |
| COC(=O)C1=C(C(=O)OC)N2c3ccccc3-n3c(-c4ccccc4)cc(OC)c3C2(C)C(C(=O)OC)=C1C(=O)OC,CI,0 | |
| O=c1[nH]c(=O)n(C2OC(CF)C(O)C2O)cc1N1CCOCC1,CI,0 | |
| CCN(CC)CCOC(=O)c1cc2cc3cc(C(=O)OCCN(CC)CC)c(=O)oc3c(C)c2oc1=O,CI,0 | |
| C=C1C(=O)OC2C=C(CO)C=CC3OC3(C)CC(OC(=O)C(C)=CCOC(C)=O)C12,CI,0 | |
| Cc1cc(O)c2cc3ccc4c5nc(C)cc(O)c5cc5ccc(c2n1)c3c54,CI,0 | |
| Cc1cc(O)c2c(n1)c1c(c3nc(C)c(O)cc32)Oc2ccccc2O1,CI,0 | |
| Cc1cc(O)c2ccc3c(c2n1)Oc1ccc2c(O)cc(C)nc2c1O3,CI,0 | |
| Cc1cc(O)c2c3c(ccc2n1)Oc1ccccc1O3,CI,0 | |
| CC(NNC(=S)N1CCN(c2ccccn2)CC1)c1nccc2ccccc12,CI,0 | |
| Cc1nn2c(=O)c3c([N+](=O)[O-])c(C)nn3c(=O)c2c1[N+](=O)[O-],CI,0 | |
| O=C(O[Bi](c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| Cc1ccc(S(=O)(=O)C(CCC(=O)c2ccccc2)(CCC(=O)c2ccccc2)[N+](=O)[O-])cc1,CI,0 | |
| c1ccc(P2(c3ccccc3)=NSN=S=N2)cc1,CI,0 | |
| O=[N+]([O-])c1ccc(NN=C(N=Nc2ccccc2)c2nc3ccccc3[nH]2)c([N+](=O)[O-])c1,CI,0 | |
| COc1cc2c(cc1OC)NCC1COc3c(ccc(OC)c3OC)C1=N2,CI,0 | |
| Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(C)(C)C(C#N)=C(N)O2,CI,0 | |
| O=C1OCc2nc3cccc4cccc(c43)n21,CI,0 | |
| Cc1cc(=O)c2cc3nc(-c4cccnc4)oc3c(Br)c2o1,CI,0 | |
| CC1=C(C#N)C2(N)OC1(C)C1C(=O)C=CC(=O)C12,CI,0 | |
| c1ccc(C2=NOCCCOc3ccccc32)cc1,CI,0 | |
| O=C(Cn1c(=O)cc(Nc2ccccc2)c2ccccc21)Nc1ccccc1,CI,0 | |
| O=c1c2ccccc2nc(-c2ccccc2)n1-c1nccs1,CI,0 | |
| Cc1nn(-c2ccccn2)c2ncnc(N)c12,CI,0 | |
| Nc1nc(O)c2c(n1)[nH][cH-][n+]2=O,CI,0 | |
| Nc1ncnc2c(C3OC(CO)C(O)C3O)c[nH]c12,CI,0 | |
| COc1ccc(Cl)c2c3nn4c(nc-3nc12)[nH]c1cc(Cl)ccc14,CI,0 | |
| CC(NNC(=S)N1CCN(c2ccccn2)CC1)c1cccc[n+]1[O-],CI,0 | |
| C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(OC(=O)CCCC(=O)OC3C4C(=C)C(=O)OC4CC(C)C4C=CC(=O)C43C)C12,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1=Nc1c(C)nn(-c2ccccc2)c1O,CI,0 | |
| COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=CC(O)C(O)C(O)C(O)C(=O)O,CI,0 | |
| CN1C(=O)C2CC(O)C(SC3CC4C(=O)N(C)C(=O)C4CC3O)CC2C1=O,CI,0 | |
| CN1CCc2sccc2C(c2ccccc2)O1,CI,0 | |
| Cn1cc2c(c1-c1ccccc1)[n+](=O)[c-]1cccc[c-]1[n+]2=O,CI,0 | |
| O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O,CI,0 | |
| OC1(c2ccccc2)c2ccccc2N=C2NCCN21,CI,0 | |
| COc1ccc(CCN2C(=O)CCC3=C2CCCC3=O)cc1OC,CI,0 | |
| CC1(C)SC=C2C1=CSC2(C)C,CI,0 | |
| O=C(Cn1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1,CI,0 | |
| CC(C)(C)C1CCC2(N3CCOCC3)C(C#N)CC2C1,CI,0 | |
| O=C1C=CC2C3C(=O)N(c4ccccc4)C(=O)C3C1N2Cc1ccccc1,CI,0 | |
| CC(=NNC(=S)N1CCCCCC1)c1cccc[n+]1[O-],CI,0 | |
| CC(=NNC(=S)N1CC2CCC(CC2)C1)c1cccc[n+]1[O-],CI,0 | |
| CC(C)(SSC(C)(C)C1NC(=O)NC1=O)C1NC(=O)NC1=O,CI,0 | |
| O=[N+]1C2C3CCC(C3)C2[N+](=O)[Co]12345C1=C2C3C4=C15,CI,0 | |
| Cc1cc(=O)oc2c1cc(OCC(=O)OCCN1CCCCC1)c1occ(C)c12,CI,0 | |
| Cn1c([N+](=O)[O-])cnc1CSc1ccc(C#N)cc1,CM,1 | |
| NC(=O)C1=NOC(C(N)=O)C1C1OC(CO)C(O)C1O,CI,0 | |
| COc1cccc2c1-c1nc(N)c3c(OC)cccc3c1C2=O,CI,0 | |
| COc1c2occc2c(N=Cc2ccc([N+](=O)[O-])cc2)c2ccc(=O)oc12,CI,0 | |
| COc1c2occc2c(N=Cc2c[nH]c3ccccc23)c2ccc(=O)oc12,CI,0 | |
| COc1c2occc2c(N=Cc2ccncc2)c2ccc(=O)oc12,CI,0 | |
| COc1c(OP2(=S)OCC(C)(C)CO2)cnn(C2CCCCC2)c1=O,CI,0 | |
| COc1ccc(CC2=CC(=NO)C(C)=CC2=O)cc1,CI,0 | |
| Cn1c(=O)c2c(c3cc(O)ccc31)OC(C(C)(C)O)C2,CI,0 | |
| Cn1c2c(c(=O)c3cc(O)ccc31)CC(O)C(C)(C)O2,CI,0 | |
| Sc1ncnc2cc3[nH]ncc3cc12,CI,0 | |
| Cn1c2c(c(=O)n(C)c1=O)CN(Cc1ccccc1)CN2,CI,0 | |
| CC1(C)CN[Pt-2](Cl)(Cl)NC1,CI,0 | |
| CCc1cc2c(O)nc(-c3cccnc3)nc2s1,CI,0 | |
| CC12CC(c3ccccc3N1)C1CC2(C)Nc2ccccc21,CI,0 | |
| COC(=O)C1C(NCc2ccccc2)=CC(C)(C)C(C(=O)OC)C1c1ccccc1,CI,0 | |
| N#CC1(c2ccccc2)C(c2ccccc2)CC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1c1ccccc1,CI,0 | |
| O=C(c1ccccc1)C1C(c2ccccc2)S(=O)C(c2ccccc2)CC1(O)c1ccccc1,CI,0 | |
| O=C(c1ccccc1)C1C(c2ccccc2)SC(c2ccccc2)CC1(O)c1ccccc1,CI,0 | |
| CC(c1ccccc1)N1OC1(c1ccccc1)c1ccccc1,CI,0 | |
| COc1ccc2c(c1OC)OC1CNc3cc(C)c(C)cc3N=C1C2,CI,0 | |
| Cc1cc2nncn2c2nnnn12,CI,0 | |
| O=C1c2ccccc2-n2c1nc1ccccc1c2=O,CI,0 | |
| CC1=Nc2ccccc2SC2(C1)C(C1COC(C)(C)O1)OC1OC(C)(C)OC12,CI,0 | |
| CC1=Nc2ccccc2NC2(C1)C(C1COC(C)(C)O1)OC1OC(C)(C)OC12,CI,0 | |
| O=C1CCSC(=O)N1c1ccccc1,CI,0 | |
| c1ccc2sc(CN(Cc3nc4ccccc4s3)Cc3nc4ccccc4s3)nc2c1,CI,0 | |
| CC1C2Cc3ccc(O)cc3C1(C)CCN2CCC(=O)c1ccccc1,CI,0 | |
| O=C1NC2C(O)C(O)C(O)C(O)C2c2cc3c(c(O)c21)OCO3,CI,0 | |
| CC(O)c1nc2c3ccccc3ccc2n1C,CI,0 | |
| CCOC(=O)C(Cl)=C1SN(C(=O)OCC)N=C1C,CI,0 | |
| CCNCC1c2ccccc2-c2nc3ccccc3nc2-c2ccccc21,CI,0 | |
| CC1CNC2(c3ccccc3)CSC=C(c3ccccc3)N12,CI,0 | |
| c1ccc(N=c2nc(Nc3ccccc3)ss2)cc1,CI,0 | |
| N=C(Nc1ccccc1)N(c1ccccc1)c1nc(=S)ss1,CI,0 | |
| CCNc1nc(NC(C)C)nc(-c2ccncc2)n1,CI,0 | |
| CC1=C(N2CCOCC2)C(N2CCOCC2)=C(C)C(=O)C1=O,CI,0 | |
| CC1(C)Nc2cc3c(cc2-n2cccc21)oc1ccccc13,CI,0 | |
| c1ccc2c(c1)oc1cc3c(cc12)-n1nnnc1-c1cccn1-3,CI,0 | |
| O=C(NN=Cc1ccco1)c1ccc(OCc2nc3ccccc3[nH]2)cc1,CI,0 | |
| O=S1(=O)CS(=O)(=O)OCCCCO1,CI,0 | |
| CN1C(=O)C(Cl)(C#N)C(c2ccccc2)N(C)C1c1ccccc1,CI,0 | |
| CCOC(=O)c1c(C)c(=O)cnc2c(C#N)cnn12,CI,0 | |
| CC1C(c2ccccc2)OC(N2CCOCC2)C(C)(C)CN1C,CI,0 | |
| NC(Cc1ccc[se]1)C(=O)O,CI,0 | |
| COc1ccc2c(c1)CCC1=C2CCS1(=O)=O,CI,0 | |
| CP1(=S)CCC2C3=C(CCC21)CC(=O)CC3,CI,0 | |
| COC1=CCC2=C(CCC3C2CCP3(C)=S)C1,CI,0 | |
| COC(=O)C12C=CC(C(=O)OC)(CC1)n1c(=O)n(-c3ccccc3)c(=O)n12,CI,0 | |
| COC1=C(C)C(=O)C2=C(C1=O)C(CO)N1C(C#N)C3CC4C(C1C2N1CCOC41)N3C,CI,0 | |
| COC(=O)CC1(C(=O)OC)C2CCCN2C2(C#N)c3ccccc3CCC12Br,CI,0 | |
| O=C(NP1(=O)NCc2ccccc2CN1)OC1CCCCC1,CI,0 | |
| CC1(C)NC(=O)C2(CC(O)C=C2CO)O1,CI,0 | |
| CC1(C)NC(=O)C2(CC(OC(=O)c3ccccc3)C=C2C=O)O1,CI,0 | |
| CC1(C)NC(=O)C2(CC(O)C(O)C(OC(=O)c3ccccc3)C2)O1,CI,0 | |
| Cc1c(-c2cnccn2)ssc1=S,CI,0 | |
| CCS1=C(C(C)=O)C(=O)OC(C)C1,CI,0 | |
| CC1C2CCC3C4CC=C5CC(N(C)C)CCC5(C)C4CCC32CN1C,CI,0 | |
| O=c1[nH]c2cc3c(cc2n2cccc12)oc1ccccc13,CI,0 | |
| O=C1NC(=O)C23CCCCc4cccc(c42)C(=O)C13,CI,0 | |
| COc1cc(C#N)c(NC(=S)N2CCN(C(=O)c3ccco3)CC2)cc1OC,CI,0 | |
| NC(C(=O)O)C1=CCCCCC1,CI,0 | |
| COC1CCCCC1C(N)C(=O)O.NC(C(=O)O)C1=CCCCC1,CI,0 | |
| CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc3ccccc3c1)CN2,CI,0 | |
| Nc1cc2c(cc1-n1cccc1)oc1ccccc12,CI,0 | |
| COC(=O)NC1=Nc2ccccc2N(C(=O)Oc2ccccc2)S1,CI,0 | |
| CC12Cc3ccccc3CC1OCN1CN2COC2Cc3ccccc3CC21C,CI,0 | |
| O=c1oc2c3ccccc3c3ccccc3c2c2oc3c4ccccc4c4ccccc4c3c12,CI,0 | |
| CC(C)S(=O)(=O)n1c(=N)[nH]c2ccc(C(=NO)c3ccccc3)cc21,CA,1 | |
| c1ccc2c(c1)oc1cc3c(cc12)nnc1cccn13,CI,0 | |
| c1ccc(-c2nc3cc4c(cc3n3cccc23)oc2ccccc24)cc1,CI,0 | |
| COC(=O)N1C2CCCCC2=NN(c2ccccc2)N1C(=O)OC,CI,0 | |
| O=C1C(=O)C(CN2CCOCC2)=C(N2CCOCC2)C(N2CCOCC2)=C1CN1CCOCC1,CI,0 | |
| Cc1nc2ccccc2c(N)c1-c1cc(C)c2c(C)nc3ccccc3c2n1,CI,0 | |
| CC1(n2[nH]c(=O)n(-c3ccccc3)c2=O)Cn2c(=O)n(-c3ccccc3)c(=O)n2-c2ccccc21,CI,0 | |
| O=c1n(-c2ccccc2)c(=O)n2n1C1CC3c4ccccc4C1C32,CI,0 | |
| CC1(C)OC(=O)c2c(cc(N3CCOCC3)oc2=O)O1,CI,0 | |
| COC(=O)c1c2c(n(CCO)c1OC)C(=O)c1ccccc1C2=O,CI,0 | |
| CC(C)=CCCC1(C)C=Cc2c(ccc3c(C)noc23)O1,CI,0 | |
| O=C1NC2CSC(CCCCC(=O)ON3C(=O)CCC3=O)C2N1,CI,0 | |
| CN1NC(C2NN(C)C(=O)N(C)N2)NN(C)C1=O,CI,0 | |
| CC1(C)CSCC(C)(C)C2(C=CC=CC=N2)C1=O,CI,0 | |
| COc1cc2c(OC)c(c1)CCCC1=CC(=O)C=C(CCC2)C1=O,CI,0 | |
| Nc1cn2ncnc2c(=O)[nH]1,CI,0 | |
| CS(=O)(=O)c1nc(=N)o[nH]1,CI,0 | |
| COc1cc2c(cc1OC)C1C(=O)c3cc4c(cc3C1N(C)C2=O)OCO4,CI,0 | |
| C=C(c1ccccc1)N1N=NC2CCOC21,CI,0 | |
| CCN(CC)Cc1c(OC)ccc2[nH]c3c4ccc(Cl)cc4ncc3c12.CCN(CC)Cc1cc2[nH]c3c4ccc(Cl)cc4ncc3c2cc1OC,CI,0 | |
| CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CO2,CI,0 | |
| O=C(Nc1ccc(Cl)cc1)Sc1nnc2c(n1)[nH]c1ccccc12,CM,1 | |
| Clc1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)NC(=O)n2ccnc2C)cc1,CI,0 | |
| COc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3n2)cc1,CI,0 | |
| O=C(CCCN1CCC(C(O)c2ccc(F)cc2)CC1)c1ccc(F)cc1,CI,0 | |
| COC(=O)C=C1CC(C)C2=C(N1)SCC2=O,CI,0 | |
| COC1CC2C=C(C)C=CC=CC(=O)NC(c3ccccc3)CC=CCCC(O)CC(=O)C2=C1O,CI,0 | |
| CC1=Nc2cc(=N)[nH]n2C(=O)C1,CI,0 | |
| O=C1c2ccccc2C(=O)N1N1CC1c1ccccc1,CI,0 | |
| C1=C(c2ccccc2)N2CCCNC2(c2ccccc2)CS1,CI,0 | |
| CCOC(=O)c1cc(-c2ccccc2)c(OC)c(=O)nc1-c1ccccc1,CI,0 | |
| CCOC(=O)c1cc(-c2ccccc2)c(=O)c(OC)nc1-c1ccccc1,CI,0 | |
| Cn1c(-c2ccc(Br)cc2)cc2nc(S)nc(N)c2c1=O,CI,0 | |
| O=C1C=CC(=Nc2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc21,CI,0 | |
| O=C(O)CC1C(=O)OC2C3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c4c2C1C(O)C(=O)O4)C(OC(=O)c1cc(O)c(O)c(O)c1)O3,CM,1 | |
| O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1cccnc1,CI,0 | |
| Cc1c2sc3ccccc3[nH]c2nc2[nH]c3ccccc3sc12,CI,0 | |
| CC1(C)SC(C)(C)N2C(=O)C3N(C(=O)C21)C(C)(C)SC3(C)C,CI,0 | |
| CN1C=CC(=C[N+](=O)[O-])N(C)C1=O,CI,0 | |
| CCOC(=O)Cn1nc2oc(=O)c(CCN3CCN(c4ccccc4OC)CC3)c(C)c2c1C,CI,0 | |
| COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N4CCOCC4)C3=O)N1CC1NC12,CI,0 | |
| COc1ccc(-c2c(N3CCOCC3)oc3cc(N4CCOCC4)c(O)cc23)cc1,CI,0 | |
| Nc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCCCC3,CI,0 | |
| O=S(=O)(CCNCCCCC1CCCCC1)SCCNCCCCC1CCCCC1,CI,0 | |
| CC(C)=CC(=O)OC1C2C(C)=CC(O)C(O)C2(C)C2C3(O)OCC24C(CC(=O)OC14)C(C)C3O,CI,0 | |
| CC(=O)c1c(C)[nH]n2ccc[n+]12,CI,0 | |
| COc1nc(N=[N+]=[N-])nc(-c2c(OC)ccc3ccccc23)n1,CI,0 | |
| CC1(C)OC2(C)CCC1C(O)C2N1CCCCC1,CI,0 | |
| CC1(C)OC2(C)CCC1C(O)C2N1CCCC1,CI,0 | |
| CC12CCC(C=C1N1CCCCC1)C(C)(C)O2,CI,0 | |
| O=S1ON=C(C2CCC(C3=NOS(=O)O3)C2)O1,CI,0 | |
| CCN1Cc2c(C=Cc3ccccc3)nc3ccc(OC)cc3c2N(c2cccc(Cl)c2)C1,CI,0 | |
| NC(=O)c1c[se]c(C2OC(CO)C(O)C2O)n1,CI,0 | |
| Cc1cc(NCCCN(C)C)c2ccc3c(ccc4c(NCCCN(C)C)c[c-](C)[n+](=O)c43)c2[n+]1[O-],CI,0 | |
| CCCOC(=O)Nc1ccc2c(c1)c1c3[nH]c(=O)c4cccn4c3ccc1n2CC,CI,0 | |
| CCCCC1N=CNc2c1ccc1c2[nH]c2ccccc21,CI,0 | |
| COC(=O)N1C2C=CC=CC=C2C(OC)N1C(=O)OC,CI,0 | |
| CN1CCN(CCCN2CC(=O)N3Cc4ccccc4CN3C(=O)C2)CC1,CI,0 | |
| O=C1CN(CCN2CCCCC2)CC(=O)N2Cc3ccccc3CN12,CI,0 | |
| O=C1CN(CCCN2CCOCC2)CC(=O)N2Cc3ccccc3CN12,CI,0 | |
| O=C1CN(CCN2CCOCC2)CC(=O)N2Cc3ccccc3CN12,CI,0 | |
| O=C1CN(c2ccccc2)CC(=O)N2Cc3ccccc3CN12,CI,0 | |
| CCOc1ccc(N2CC(=O)N3CCCN3C(=O)C2)cc1,CI,0 | |
| CC(C)CN1CC(=O)N2CCCN2C(=O)C1,CI,0 | |
| O=C1CN(CCc2ccccc2)CC(=O)N2C(c3ccccc3)CCCN12,CI,0 | |
| O=C1CN(Cc2ccccc2)CC(=O)N2C(c3ccccc3)CCCN12,CI,0 | |
| O=C1CN(C2CCCCC2)CC(=O)N2C(c3ccccc3)CCCN12,CI,0 | |
| CC1CCCN2C(=O)CN(CCc3ccccc3)CC(=O)N12,CI,0 | |
| CC1CCCN2C(=O)CN(Cc3ccccc3)CC(=O)N12,CI,0 | |
| O=C(O)C(=O)O.O=C1CN(CCN2CCCCC2)CC(=O)N2CCCCN12,CI,0 | |
| O=C1CN(CCCN2CCOCC2)CC(=O)N2CCCCN12,CI,0 | |
| O=C1CN(CCN2CCOCC2)CC(=O)N2CCCCN12,CI,0 | |
| COC(=O)C1C(C(=O)OC)C2N(c3ccccc3)C=NN2C1C(=O)c1ccccc1,CI,0 | |
| CC(=O)NC(CCSSCCC(NC(C)=O)C(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O,CI,0 | |
| [N-]=[N+]=Nc1ccc(SSCCC(=O)ON2C(=O)CCC2=O)cc1,CI,0 | |
| Cn1cc(C2NC(=O)c3ccccc3N2)c2ccccc21,CI,0 | |
| O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccco1,CI,0 | |
| O=C(CN1CCOCC1)Nc1nc(-c2ccc(Cl)cc2)cs1,CI,0 | |
| CC1=CC(=O)C(=O)C2=C1OC1(C2)C(C)CCC2C3(C)CCC(O)C(C)(C)C3CCC21C,CI,0 | |
| CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC5OC56C(O)C(N5CC5)=CC(=O)C6(C)C4CCC23C)C1,CI,0 | |
| CC1=CC(=O)OC2CC(CCC(C)C=CCC1)OC(O)(C1CSC(=O)N1)C2,CI,0 | |
| Cc1cc(C)c(C#N)c(SCC(=O)c2sc3c(C#N)c(C)cc(C)[n+]3c2O)n1,CI,0 | |
| CC1(C)CC[PH](CC[PH]2(c3ccccc3)CCC(C)(C)c3ccccc32)(c2ccccc2)c2ccccc21,CI,0 | |
| OCCN1C(c2ccccc2)=CN2C=CSC21,CI,0 | |
| OCCNCCN=C1CCC(=NCCNCCO)CC1,CI,0 | |
| S=c1cc(S)c2c(=S)sc3nc4ccccn4c(=S)c3c2s1,CI,0 | |
| Cn1c2c(c(=O)n(C)c1=O)CS(=O)c1ccccc1N2,CI,0 | |
| CC(=NNC(=S)N1CC2CCC(CC2)C1)c1cnccn1,CI,0 | |
| Cc1ccc(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c2c1Oc1c(c(C(=O)NC3C(=O)NC(C(C)C)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)c3nc(-c4ccccc4)c(=O)oc3c1C)N2,CI,0 | |
| O=c1c2ncn(C3CC(O)C(O)C(CO)O3)c2ncn1C1CC(O)C(O)C(CO)O1,CI,0 | |
| C=C(c1ccc(OC)c(OC)c1)c1nccc2cc(OC)c(OC)cc12,CI,0 | |
| O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)CC3=O)C(O)C(O)C1O,CI,0 | |
| CC(=O)OCc1cc(-c2nc3ccccc3nc2O)nn1-c1ccc(Cl)cc1,CI,0 | |
| CN1C(=O)CN2CCc3ccccc3C2c2cc(Cl)ccc21,CI,0 | |
| COC1C2=CC=CC=CC2n2c(=O)n(C)c(=O)n21,CI,0 | |
| COC1C2=CC=CC=CC2n2c(=O)n(-c3ccccc3)c(=O)n21,CI,0 | |
| CC1=C(C)C23Cn4c(=O)n(-c5ccccc5)c(=O)n4C2(C)C1(C)C3C,CI,0 | |
| COC(=O)CC(C(=O)OC)=C1CCC2=C1N1CCCC1C2(CC(=O)OC)C(=O)OC,CI,0 | |
| O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1ccccc1,CI,0 | |
| O=C1c2ccccc2C(=O)c2c1nc1sccn21,CI,0 | |
| O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1C1CC1,CI,0 | |
| O=c1oc2c(-c3c(O)c(=O)oc4ccccc34)cc(O)cc2s1,CI,0 | |
| O=C(Nc1ccc2oc3ccc(Cl)cc3c(=O)c2c1)c1ccc(Cl)cc1Cl,CI,0 | |
| CC(SSc1ccc(C(C)(C)C)cc1)c1ccccc1,CI,0 | |
| CCOC(=O)CNC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(=O)OC)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C,CI,0 | |
| COC(=O)C(CSSCC(C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C)N1C(=O)CCC1=O)NC(=O)OCc1ccccc1,CI,0 | |
| CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Ni-2]2(SC#N)[n+]2ccccc21,CI,0 | |
| CC1=[N+]2[N-]C(N3CCCCCC3)=[S+][Fe-3]2(Cl)(Cl)[n+]2ccccc21,CI,0 | |
| Clc1cnc(Oc2ccccc2)c2ccccc12,CI,0 | |
| Cn1nc2[nH]c(=S)sc(=S)c2c1O,CI,0 | |
| CC1=Nc2nnnn2N=C(C)C1,CI,0 | |
| c1ccc(Nc2nnnn2-c2ccccc2)cc1,CI,0 | |
| O=[N+]([O-])c1ccc(-[n+]2ccc3ccccc3c2)c([N+](=O)[O-])c1,CI,0 | |
| CC(NC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1,CI,0 | |
| CC(=O)O.Nc1nc(N)c(CCc2ccccc2)c(N)n1,CI,0 | |
| NC(CSSCC(N)C(=O)c1ccccc1)C(=O)c1ccccc1,CI,0 | |
| COC(=O)C1(C)CCCC2(C)C3=CC(=O)C4(C(C)C)OC4C3(O)CCC12,CI,0 | |
| C(=NNC1=NCCN1)c1c2ccccc2c(C=NNC2=NCCN2)c2ccccc12,CI,0 | |
| Cn1c2c(c3nc(N)nc(N)c3c1=O)CCc1ccccc1-2,CI,0 | |
| O=c1oc2ccccc2n1Cc1ccc(Cl)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)NC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)cc1,CI,0 | |
| CN1C(=O)c2ccccc2N=CN1C(=O)Nc1ccccc1,CI,0 | |
| O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccccc1,CI,0 | |
| CC1(C)CNC(=O)C2=C(O1)C(=O)OC2,CI,0 | |
| O=C(NCc1cc(CNC(=O)c2cccc(O)c2O)cc(CNC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O,CI,0 | |
| CC1=CC(C)(C)N=C2SC(COc3ccccc3)=NN12,CI,0 | |
| Cc1nc2ccccc2c(=O)n1N1C2CCCC21,CI,0 | |
| N=c1cc2[nH]c(=O)cc3n2c(n1)SC3,CI,0 | |
| O=C1CC2=CSC3=NC(O)=CC(=N1)N23,CI,0 | |
| COC(=O)C1=C(C(=O)OC)P2(C)(C)OC(c3ccccc3)CN2C1(c1ccccc1)c1ccccc1,CI,0 | |
| CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21,CI,0 | |
| Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,CI,0 | |
| CCOC(=O)c1ccc(N2N=C3C(=CC(=O)c4ccccc43)SCC2=O)cc1,CI,0 | |
| Nc1ncnc2c1ncn2C1OC(COC2C(O)C(OC3OC(CO)C(O)C(O)C3N)C(O)C(OS(=O)(=O)O)C2OC(=O)C(N)CO)C(O)C1O,CI,0 | |
| Cc1ccccc1C1N=C2Oc3ccccc3C=C2C(=O)N1,CI,0 | |
| CN1C(=O)C2CC(=O)N(Cc3ccccc3)C(=O)C2C1=O,CI,0 | |
| CN1C(=O)CC2C(=O)N(Cc3ccccc3)C(=O)C2C1=O,CI,0 | |
| O=C1CC2C(=O)NC(=O)C2C(=O)N1,CI,0 | |
| COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O,CI,0 | |
| CCN(CC)C1CS(=O)(=O)OC(c2ccccc2)=C1C,CI,0 | |
| CN1C(=O)N(C)C(=O)C(Nc2ccc([N+](=O)[O-])cc2)(SCCO)C1=O,CM,1 | |
| COC(=O)c1c(C(=O)OC)c2c(C)nn3ccc1n23,CI,0 | |
| Cc1n[nH]c2nc(=N)[nH]n2c1=O,CI,0 | |
| COC(=O)Nc1nc2cc(C(=O)C3CC3)ccc2[nH]1,CI,0 | |
| O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,CI,0 | |
| Cc1nn(-c2ccccc2)c2c1S(=O)(=O)c1ccccc1-2,CI,0 | |
| O=C1NN=C2CCN3C(=O)c4ccccc4C3=C12,CI,0 | |
| CSC1=Nc2ccccc2N=C(N2CCCC2)C1,CI,0 | |
| S=C1CC(N2CCCC2)=Nc2ccccc2N1,CI,0 | |
| O=C1NN=C(c2ccccc2)SC1c1ccccc1,CI,0 | |
| CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC1C(=O)Oc1ccccc1,CI,0 | |
| CCCCC(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1,CI,0 | |
| COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CCC(OC7CC(O)C(OC8CCC(O)C(C)O8)C(C)O7)C(C)O6)C(OC(C)=O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[N+](=O)[O-],CI,0 | |
| COC(=O)c1cc(=O)c2c(ccc3oc(=O)ccc32)[nH]1,CI,0 | |
| CC(C)N(Cc1ccccc1)S(=O)(=O)c1nc(C(C)(C)C)n[nH]1,CI,0 | |
| CC(C)(C)C1COP(=O)(c2ccccc2)N(c2ccccc2)C1.CC(C)(C)C1COP(=O)(c2ccccc2)N(c2ccccc2)C1,CI,0 | |
| CC(C)(C)C1CNP(=O)(c2ccccc2)OC1.CC(C)(C)C1CNP(=O)(c2ccccc2)OC1,CI,0 | |
| COP1(=S)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2O1,CI,0 | |
| CC(C)=CC[PH](CCC[PH](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| CC1(C)CC[P+](CCC[P+]2(c3ccccc3)CCC(C)(C)c3ccccc32)(c2ccccc2)c2ccccc21.F[P-](F)(F)(F)(F)F,CI,0 | |
| Cc1cc2cc3ccc(Cl)nn3c2nn1,CI,0 | |
| Cc1cc(OP2(=O)Nc3ccccc3-c3ccccc3N2)ccc1Cl,CI,0 | |
| COC(C(C)=CC=CC(C)=Cc1coc(C)n1)C(C)C1CC(O)C2(C)OC2C=CC(C)C2CC(CC(=O)O2)CC2OC2C(=O)O1,CI,0 | |
| Cc1cc(S)c2cc3c(cc2n1)OCO3,CI,0 | |
| CCOC(=O)C1Cc2c(n(C3CCCCC3)c(=O)n(C)c2=O)OC1c1ccccc1,CI,0 | |
| Cc1c(C(=N)C(C#N)C#N)c(=N)oc2c1ccc1ccccc12,CI,0 | |
| CC1=C(C)C(N2CCOCC2)CS(=O)(=O)O1,CI,0 | |
| Cc1cc(C)cc(N(C2=NCCS2)C2=NCCS2)c1,CI,0 | |
| Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)SC1=NC(C)N2C(SC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)=NC(C)N12,CI,0 | |
| CC(C)n1cc(C(C)(C)C)nc1SSc1nc(C(C)(C)C)cn1C(C)C,CI,0 | |
| c1ccc(SC2=C(Sc3ccccc3)CC2)cc1,CI,0 | |
| C=C1CCC2C(C)(C)CCCC2(C)C1Cc1cc(O)ccc1O,CI,0 | |
| C=C1C(=O)OC2C=C(CO)C3(O)CC(O)C(C)(CC(OC(=O)C(C)=CC)C12)O3,CI,0 | |
| CC1=CC2OC3CC(OC(=O)C=CC=CC(OCCC4=CC(=O)OC4)C(C)O)C(C)(C2(CO)CC1)C31CO1,CI,0 | |
| CC1=NC(C)=NP(O)(Oc2ccccc2)=N1,CI,0 | |
| O=c1c2ccccc2oc2cc3c(c(O)c12)CCCC3,CI,0 | |
| CC(CO)C1OC(=O)C=C2C3(C)CC4OC4C4(C)C(=O)OC(C34)C3OC213,CI,0 | |
| CC(C)=CC[PH](CCCCCC[PH](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| CC1(C)CC[P+](CCCC[P+]2(c3ccccc3)CCC(C)(C)c3ccccc32)(c2ccccc2)c2ccccc21.F[P-](F)(F)(F)(F)F,CI,0 | |
| N=c1[nH]sc2nc3ccccc3cc12,CI,0 | |
| COC(=O)c1cc(=O)n(Cc2ccco2)c(=Nc2ccccc2)s1,CI,0 | |
| O=C(Nc1cccc(Cl)c1)Nc1cccnc1O,CI,0 | |
| Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1,CI,0 | |
| CC(=NNC(=[Se])N1CCCCCC1)c1ccccn1,CI,0 | |
| COC(=O)c1cc(C(=O)OC)c2c3nc[nH]c3ncn2c1=O,CI,0 | |
| COC(=O)C=Cc1c(=O)c(C(=O)OC)cn2cnc3[nH]cnc3c12,CI,0 | |
| CC1=NC(=O)CON1,CI,0 | |
| CC(=NNC(=[Se])N1CCN(c2ccccn2)CC1)c1ccccn1,CI,0 | |
| CSC(=NN=C(C)c1ccccn1)N1CCN(c2ccccn2)CC1,CI,0 | |
| CC1(C)CC2=NO[Se]3=C2C(=NO3)C1,CI,0 | |
| C1CCCN(N2CCOCC2)CC1,CI,0 | |
| CCN(CCN1C(=O)C2CCCCC2C1=O)c1ccc(N=O)c(C)c1,CI,0 | |
| N=c1[nH]c2c(s1)CCC2,CI,0 | |
| CC(=O)OC1C(O)C(C)OC(OC2C(OC(=O)C3CCC4C(C3)OC3(CC(OC(=O)C=Cc5ccccc5)C(C)CO3)C43CO3)OC(C)C(O)C2OC(C)=O)C1O,CI,0 | |
| CC1NC(=O)C2Cc3ccc(O)c(c3)Oc3cccc(c3)C(O)C(C(=O)N2C)N(C)C(=O)C(C)NC(=O)C(Cc2ccc(O)c(O)c2)N(C)C(=O)C(C)NC1=O,CI,0 | |
| O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O,CI,0 | |
| CC(=O)N1OC2(C)c3ccccc3C1(C)c1ccccc12,CI,0 | |
| O=C(c1ccc2c(c1)OCO2)N1OC2C=CC1CC2,CI,0 | |
| O=C(c1ccccc1)N1OC2C=CC1CC2,CI,0 | |
| COC(=O)C1=C(C)NC2(C)C(C(=O)OC)CC1C2(C(C)=O)C(C)=O,CI,0 | |
| S=C1NC2(CCCCCC2)NN1c1ccccc1,CI,0 | |
| O=c1nc(Nc2cccc(Cl)c2)oc2cc(Cl)oc(=O)c12,CI,0 | |
| O=C(N=c1nc2ccccn2s1)c1ccccc1,CI,0 | |
| CCOC(=O)N=c1sc(NC(=O)OCC)nc2ccn(C)c12,CI,0 | |
| CCOC(=O)c1cc2sc(NC(=O)c3ccco3)nc2o1,CM,1 | |
| COC(=O)C1=C(C)NC2(C)SC1C(C)C2C(=O)OC,CI,0 | |
| COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCC4CCCO4)C3=O)N1CC1NC12,CI,0 | |
| CCCCCc1cc(O)c2c3c(c(=O)oc2c1)CP(=O)(c1ccccc1)CC3,CI,0 | |
| Sc1snc2c1CCC2,CI,0 | |
| NC1(N2SC(S)=C3CCCC=C32)CCCCC1,CM,1 | |
| O=S1(=O)c2ccccc2C(O)(c2ccccc2)c2cc3ccccc3n21,CI,0 | |
| COC(=O)C1(C)OS(=O)(=O)c2ccccc21,CI,0 | |
| Cc1ccc2nc(NC(=S)SSC(=S)Nc3nc4ccc(C)cc4s3)sc2c1,CI,0 | |
| CS(=O)(=O)c1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1,CI,0 | |
| CC(=O)Nc1nnc(SSc2nnc(NC(C)=O)s2)s1,CM,1 | |
| O=C(NNC(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)c(Cl)c1,CI,0 | |
| N=C1NC2(CS1)CSC(=N)N2,CI,0 | |
| CC1(C)OCC2OC3(CO)NP(=O)(N(CCCl)CCCl)OC3C2O1,CI,0 | |
| O=C1CCC(=O)N2c3ccccc3-c3ccccc3N12,CI,0 | |
| COc1ccc(-c2cc[n+]([O-])c(C)c2C)c(OC)c1OC,CI,0 | |
| COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(O)C(C(=O)N(C)C)C3c2ccccc2)cc1,CI,0 | |
| O=c1c2c([nH]c3c1ccc1[nH]c4c(c(=O)c13)CCCC4)CCCC2,CI,0 | |
| O=C(O)C1=CC(=C(c2ccccc2)c2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2C1=O,CI,0 | |
| Cc1ccc2nc(-c3ccc4nc(-c5ccc(N=Nc6ccc(-c7nc8ccc(-c9nc%10ccc(C)c(S(=O)(=O)O)c%10s9)cc8s7)cc6)cc5)sc4c3)sc2c1S(=O)(=O)O,CM,1 | |
| CCCCCCCCCCCCCCCC[n+]1ccc2c(c1)Sc1cc[n+](CCCCCCCCCCCCCCCC)cc1S2,CI,0 | |
| Clc1ncccc1SSc1cccnc1Cl,CI,0 | |
| c1cnc2c(c1)Sc1ncccc1S2,CI,0 | |
| COC1=C(C)C(=O)C2=C(C1=O)C1C3CC4=C(C(=O)C(OC)=C(C)C4=O)C(CNC(=O)C(C)=O)N3C(C#N)C(C2)N1C,CI,0 | |
| CCOC(=O)C1([Bi](C)C)N=NC(C(=O)OC)=C1C(=O)OC,CI,0 | |
| CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(-c2ccc(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(S(=O)(=O)O)c2)cc1,CM,1 | |
| CC1=[N+]2[N-]C(N3CCCCCC3)=[S+][Cu-3]2(Cl)[n+]2ccccc21,CI,0 | |
| CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C2CSSCC(NC1=O)C(=O)N2,CI,0 | |
| O=C(c1cccnc1)c1cc(-c2ccccn2)c(=O)n2ccccc12,CI,0 | |
| CC1=NN(c2cccc(S(=O)(=O)O)c2)C2=[O+][Cr]3(O)Oc4c(cc(Cl)cc4S(=O)(=O)O)N=[N+]3C12,CI,0 | |
| CCOC(=O)Nc1nc(=O)n(-c2ccc3ccccc3n2)[nH]1,CI,0 | |
| CC1=CNC(C#N)=C(C#N)N=CC(C)=CNC(C#N)=C(C#N)N=C1,CI,0 | |
| C=C1C(C2(C)C=CC(=O)OC3(C)COC(=O)CC32)C(OC=O)C(OC(=O)C(O)C(C)CC)C2(C)C(c3ccoc3)CC(OC(C)=O)C12O,CI,0 | |
| COc1cc2cc[n+](C)c(Cc3ccc(Oc4cc(Cc5c6cc(OC)c(OC)cc6cc[n+]5C)ccc4OC)cc3)c2cc1OC,CI,0 | |
| O=C1NC(=O)C2(CCC(O)C2)c2ccncc21,CI,0 | |
| CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO.Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3cc(N=Nc4ccc(S(=O)(=O)Nc5nnc(C)s5)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)s1,CI,0 | |
| CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO.Cc1cc(NS(=O)(=O)c2ccc(N=Nc3cc(N=Nc4ccc(S(=O)(=O)Nc5cc(C)nc(C)n5)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)nc(C)n1,CI,0 | |
| CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO.O=C(Nc1cccc2c(OC(=O)C(Cl)Cl)c(N=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(N=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl,CI,0 | |
| CC(=NNC(=[Se])N1CC2CCC(CC2)C1)c1ccccn1,CI,0 | |
| CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)nc3c2)CC1,CI,0 | |
| O=P1(c2ccccc2)OCC2=C(c3ccccc3)CC2=C1c1ccccc1,CI,0 | |
| COc1ccc(-c2nnc3sc4c5ccccc5ccc4n23)cc1,CI,0 | |
| O=C(Nc1ccc(Cl)cc1)OCC12COCN1COC2,CI,0 | |
| O=C1CN(N2C(=O)CSC2C23CC4CC(CC(C4)C2)C3)C(=O)CN1c1ccccc1,CI,0 | |
| CCC1(O)C(=O)OCc2c1cc(-c1ccc(Cl)cc1)nc2OC,CI,0 | |
| Clc1cc2c(c(CSc3nc4ccccc4n4cccc34)c1)OCOC2,CI,0 | |
| COc1ccc(C(=O)CC2(O)C(=O)N(CN3CCOCC3)c3ccc(Br)cc32)cc1,CI,0 | |
| Cc1ccc2nc(NC(=S)NCCCCNC(=S)Nc3ccc4cc(C)ccc4n3)ccc2c1,CI,0 | |
| CCc1nnc2c3cc4ccccc4n3cnn12,CI,0 | |
| CCOC(=O)C(=C(N)C1OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C2OC(C)(C)OC12)C1CC(=O)N(C)C1=O,CI,0 | |
| CC1C2=C(C(=O)N1Cc1ccccc1)C(C1OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C1OC(=O)c1ccccc1)C(=O)N(C)C2=O,CI,0 | |
| COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NC3CC3)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O,CI,0 | |
| Cc1ccc(S(=O)(=O)NC(=O)OC23COCN2COC3)cc1,CI,0 | |
| Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2,CI,0 | |
| Oc1ccccc1-c1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2,CI,0 | |
| Oc1ccccc1-c1nnc2sc3c(Cl)c4nn5c(-c6ccccc6O)nnc5sc4c(Cl)c3nn12,CI,0 | |
| CCc1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2,CI,0 | |
| CC(=O)OCC12CCC(C)=CC1OC1C3(O)N=C(C)OC3C2(C)C12CO2,CI,0 | |
| O=[N+]([O-])c1ccccc1-c1nc2nc(N3CCOCC3)nc(N3CCOCC3)n2n1,CI,0 | |
| CN(C)c1nc(N(C)C)n2c(-c3ccccc3[N+](=O)[O-])nnc2n1,CI,0 | |
| CN(C)c1nc(N(C)C)n2nc(-c3ccccc3[N+](=O)[O-])nc2n1,CI,0 | |
| CC(=NNC(=S)N1CCC1)c1ccccn1,CI,0 | |
| Cc1[nH]nc(-c2ccon2)c1N=O,CI,0 | |
| CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])s1,CI,0 | |
| COc1cc2oc3ccccc3c(=O)c2cc1CSc1ccccc1N,CI,0 | |
| COc1cccc(C2NC(=O)c3c([nH][nH]c3=N)S2)c1O,CI,0 | |
| COc1ccc(CSC2=C(C#N)C(=O)NC3(CCCCC3)S2)cc1,CI,0 | |
| N#Cc1c(Br)n(C2OC(CO)C(O)C2O)c2ncn3ccnc3c12,CI,0 | |
| CCOC(=O)NN(C(=O)OCC)C(=C(C1CCCCC1)N1CCOCC1)N(NC(=O)OCC)C(=O)OCC,CA,1 | |
| O=C1CSC(=S)N1N1C(=O)CSC1=S,CI,0 | |
| CC1c2c(cc(OC(=O)c3cccc(S(=O)(=O)F)c3)nc2OC(=O)c2cccc(S(=O)(=O)F)c2)C(=O)N1Cc1ccccc1,CI,0 | |
| S=C(Oc1ccccc1)SSC(=S)Oc1ccccc1,CI,0 | |
| CC1CCC2(OC2(C)C)C(=O)C1,CI,0 | |
| N#CNC(=Nc1cccnc1)NCC1CCCO1,CI,0 | |
| CN(C)P1(=S)NCC(C(C)(C)C)CO1.CN(C)P1(=S)NCC(C(C)(C)C)CO1,CI,0 | |
| O=C1Cc2ccccc2N1C1c2ccccc2C=Cc2ccccc21,CI,0 | |
| CC1(C)CC2=Nn3c(nnc3C(F)(F)F)SC2=C(O)C1,CI,0 | |
| Cc1nnc2n1N=C1CC(C)(C)CC(=O)C1S2,CI,0 | |
| COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2,CI,0 | |
| CCOC(=O)c1sc(SSc2sc(C(=O)OCC)c(C)c2[N+](=O)[O-])c([N+](=O)[O-])c1C,CI,0 | |
| O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1,CI,0 | |
| O=C1NC2CSC(CCCCC(=O)N(CCP(c3ccccc3)c3ccccc3)CCP(c3ccccc3)c3ccccc3)C2N1,CI,0 | |
| O=C1NC(=O)c2c3ccc(c21)CCc1ccc(c2c1C(=O)NC2=O)CC3,CI,0 | |
| O=C(c1ccccc1)C(SSC(C(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1,CI,0 | |
| CC(=O)OC1COC2OC3C(C(C=O)=CC(O)C4C5=C(C(C)C)CCC5(C)CCC34C)C2(O)C1=O,CI,0 | |
| CC1(O)P2(=O)O[Pd-2]3(NCCN3)OP1(=O)O[Pd-2]1(NCCN1)O2,CI,0 | |
| O=P12OP(=O)(O[Pd-2]3(NCCN3)O1)O[Pd-2]1(NCCN1)O2,CI,0 | |
| CC(Sc1ccccc1)C(=O)N1CCCC1,CI,0 | |
| CC(=O)OC1(CSc2ccccc2)CCCCC1,CI,0 | |
| CC1=CC(=O)N2Cc3cc(Cl)ccc3N=C2N1,CI,0 | |
| S=C1NC2=S(N=C(Nc3ccccc3)N2c2ccccc2)S1,CI,0 | |
| O=C1c2ccccc2S(=O)(=O)c2cc(-c3nnn[nH]3)ccc21,CI,0 | |
| COC(=O)Nc1cn2cc(C(=O)c3cccs3)ccc2n1,CI,0 | |
| COC(=O)Nc1cn2ccc(Sc3ccccc3)cc2n1,CI,0 | |
| COC1=CC(=O)C(O)=C(CC2(C)C(C)CCC3(C)C2CCCC3(C)C)C1=O,CI,0 | |
| O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,CI,0 | |
| C1CNCCSCCCSCCNC1,CI,0 | |
| Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CCSCCCSCC2)cc1,CI,0 | |
| C(=C(Sc1ccccc1)Sc1ccccc1)C(Sc1ccccc1)c1ccccc1,CI,0 | |
| CC(CC(=O)c1ccccc1)C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1,CI,0 | |
| O=C(CC(c1ccccc1)C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1)c1ccccc1,CI,0 | |
| O=C1CCCC(C(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)C1,CI,0 | |
| N#CC(=Cc1c(Cl)cccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1,CI,0 | |
| C=C1SC(=Nc2cccc(OC)c2)N(c2nc(Cl)nc(Cl)n2)C1(C)C,CI,0 | |
| C=C1SC(=Nc2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C1(C)C,CI,0 | |
| O=C1C[N+]23CC[N+]45CC(=O)O[Ca-4]24(O1)(OC(=O)C3)OC(=O)C5,CI,0 | |
| O=C1NS(=O)(=O)C2C(Cl)=C(Cl)C3(Cl)C2C13Cl,CI,0 | |
| O=C(NCCCCCCNC(=O)NCc1ccco1)NCc1ccco1,CI,0 | |
| S=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2-n2cccc2C1c1cccnc1,CI,0 | |
| COc1cc2c(cc1OC)C(c1ccc(N=Cc3ccc(N(C)C)cc3)cc1)N(C(=S)Nc1cc(Cl)ccc1Cl)CC2,CI,0 | |
| Sc1sc2ccccc2[n+]1[Rh-4](Cl)(Cl)([n+]1c(S)sc2ccccc21)([n+]1c(S)sc2ccccc21)[n+]1c(S)sc2ccccc21,CI,0 | |
| O=S1(=O)Cc2ccccc21,CI,0 | |
| O=C1OCc2c1cc1cc3c(cc1c2-c1ccc2c(c1)OCO2)OCO3,CI,0 | |
| Cc1ccc2c(c1)SSc1ccc(C)cc1SS2,CI,0 | |
| Nc1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc1,CI,0 | |
| CN1C(=O)NC2(C1=O)C(=O)N(C)C(=O)N2C,CI,0 | |
| S=C1CC(c2ccc(Sc3ccccc3)cc2)=Nc2ccccc2N1,CI,0 | |
| CC[N+](C)(CC)CCSC1=Nc2ccccc2N=C(c2ccc(Sc3ccccc3)cc2)C1,CI,0 | |
| CC1(C)CCCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1,CI,0 | |
| Clc1nc(Cl)nc(N2CCCc3ccccc32)n1,CI,0 | |
| CC12CC(=O)NC(=O)N1CCS2,CM,1 | |
| CC1=NC(=O)CC2=C1C(C)N(Cc1ccccc1)C2=O,CI,0 | |
| Cc1ccc(NC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)c(C)c1,CI,0 | |
| C1=Nc2ccccc2N=Cc2ccccc2NCCNc2ccccc21,CI,0 | |
| N#CC1=C(C#N)N=Cc2ccccc2NCCNc2ccccc2C=N1,CI,0 | |
| C1=NCCN=Cc2ccccc2NCCNc2ccccc21,CI,0 | |
| CC1=CCCC2C1(C)CCC(C)C2(C)Cc1cc(O)ccc1O,CI,0 | |
| CC[Sn]1(CC)OC2C(O)OC(CO)C(O)C2O1,CI,0 | |
| Cn1ccc(=NN=c2ccn(C)c3ccccc23)c2ccccc21,CI,0 | |
| O=C(CC(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ccccn2)CC1,CI,0 | |
| Cc1ccc(SSC(=S)Nc2ccccc2)cc1,CI,0 | |
| CCCCCCOC(=O)Nc1nnc(SSC2=NN=CC2NC(=O)OCCCCCC)s1,CI,0 | |
| COc1ccc2c(c1)CCC1=C2C=C[PH]1(C)C,CI,0 | |
| C[PH]1(C)CCc2c1ccc1ccccc21,CI,0 | |
| CP1(=O)CC(=O)CCCCC(=O)C1,CI,0 | |
| CCN(CC)c1c(C)nnc2c(-c3ccccc3)cnn12,CI,0 | |
| O=S(=O)(c1ccccc1)N1CC2(CN(S(=O)(=O)c3ccccc3)c3ccccc31)CN(S(=O)(=O)c1ccccc1)c1ccccc1N(S(=O)(=O)c1ccccc1)C2,CI,0 | |
| Cc1cc(C)c2nc3c(c(C(O)C4CCCCN4)c2c1)CCC3=Cc1ccc(Cl)cc1,CI,0 | |
| CCN(CC)c1c(C)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12,CI,0 | |
| CCn1c2c(c3ccccc31)CCSC2(C)CCN(C)C,CI,0 | |
| COc1nc(N)c2c3c([nH]c2c1C#N)C(C)(C)c1ccccc1N3C,CI,0 | |
| COC1OC2C(CO)OC(n3ncc4c3ncn3cnnc43)C2O1,CI,0 | |
| COc1cc2c(cc1O)C1C(O)C(O)C=C3CCN(C2)C31,CI,0 | |
| O=C(O)C1C(C(=O)O)N2C(c3ccccc3)C(C(=O)O)C(C(=O)O)N2C1c1ccccc1,CI,0 | |
| Cc1cc2c(cc1Br)C1(C)CCC(C)C1(C)O2,CI,0 | |
| C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(OC(C)=O)C=CC(C)(O)CC(C)CC=CC3C1O,CI,0 | |
| C[N+]12CN3CN(C1)CP(=O)(C3)C2,CI,0 | |
| C[N+]12CN3CN(CP(C3)C1)C2,CI,0 | |
| N=c1[nH]c2cc([N+](=O)[O-])cnc2s1,CI,0 | |
| C=C1C2CCC3(C4CC5C6(C)CCCC5(C(O4)N(CCO)C6)C3C2)C1O,CI,0 | |
| N=c1[nH]nc[se]1,CI,0 | |
| c1ccc(-c2c[se]nn2)cc1,CI,0 | |
| COc1ccc(C2=NOP(c3ccccc3)(c3ccccc3)(c3ccccc3)C2)cc1,CI,0 | |
| CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,CI,0 | |
| Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)CC(=O)NC(C(=O)NC(OC1OC(C)C(N)C(O)C1O)C(O)c1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1,CI,0 | |
| CCC12C[N+]3([O-])CCc4c([nH]c5ccccc45)C(C(=O)OC)(c4cc5c(cc4OC)N(C)C4C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC54C76)CC(C3)C1O2,CI,0 | |
| C=C(C)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccccc2s1,CI,0 | |
| CCn1c(=O)[nH]c(=O)c2conc21,CI,0 | |
| Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)Cn4cc(Cl)c(=O)c(Cl)c4)C3SC2)s1,CI,0 | |
| CCC(c1ccccc1)c1noc(CCN(CC)CC)n1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CI,0 | |
| COc1ccc(C2=NC(c3ccccc3)N3C(c4ccccc4)NC(c4ccccc4)C2C3c2ccccc2)cc1,CI,0 | |
| COC(=O)C1(Cc2ccccc2)N=C(c2ccccc2)OO1,CI,0 | |
| O=C(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1,CI,0 | |
| CCOC(=O)c1cn(C)c2c1C(=O)C(C(=O)OCC)CCN2C(=O)OCC,CI,0 | |
| CCOC(=O)c1cn(C)c2c1C(O)=C(C(=O)OC)CC(=O)N2,CI,0 | |
| Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=[N+]([O-])C2,CI,0 | |
| NC(=O)c1n[nH]c(C2OC(CO)C(O)C2O)n1,CI,0 | |
| C1C[N+]23CCC[N+]2(C1)CCC3.F[B-](F)(F)F,CI,0 | |
| Cn1c2ccccc2c(=S)c2c(O)cc3c(c21)C=CC(C)(C)O3,CI,0 | |
| CSc1nc2cc(Cl)ccc2c2c1C=NCCN2,CI,0 | |
| C1=NCCNc2nc3ccccc3cc2C=NCCNc2nc3ccccc3cc21,CI,0 | |
| O=C1CC2(C(=O)O1)C1C(=O)OC(=O)C1C1C=CC=NN12,CI,0 | |
| O=C1CC2(C(=O)O1)C1C(=O)OC(=O)C1C1c3ccccc3C=NN12,CI,0 | |
| CC(=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccccc1.F[B-](F)(F)F,CI,0 | |
| CC(C)(Cc1ccccc1)C(=C=C=C=C(c1ccccc1)C(C)(C)Cc1ccccc1)c1ccccc1,CI,0 | |
| COc1ccc(C)cc1C(=C=C=C=C(c1cc(C)ccc1OC)c1ccccc1OCc1ccccc1)c1ccccc1OCc1ccccc1,CI,0 | |
| C=C1C(=O)OC2C=C(COC(C)=O)CCC(OC(C)=O)C3=CC(OC3=O)C12,CI,0 | |
| CCOC1(NC(=O)N(C)C)C2CCCC21,CI,0 | |
| Sc1ccc2ccccc2[n+]1[Ni-4](Cl)(Cl)([n+]1c(S)ccc2ccccc21)([n+]1c(S)ccc2ccccc21)[n+]1c(S)ccc2ccccc21,CI,0 | |
| CC[N+]1(CC)CCC(=O)[Pd-2]1(Cl)NC(CO)C(O)c1ccccc1,CI,0 | |
| C=CC1(C)CCC2C(=CCC3C(C)(COC4OC(C(=O)O)C(O)C(O)C4O)C(O)CCC23C)C1.C=CC1(C)CCC2C(=CCC3C2(C)CC(O)C(O)C3(C)COC2OC(C(=O)O)C(O)C(O)C2O)C1,CI,0 | |
| CC1(C)CCC(c2cc(O)c3c(c2O)C(=O)C=CC3=O)O1,CI,0 | |
| O=C1OC2CS(=O)CC2O1,CI,0 | |
| OC1(c2cccc(Cl)c2)C2=NCCCN2c2ccccc21,CI,0 | |
| O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2,CI,0 | |
| CN(C)P1(=O)OCC(C(C)(C)C)CN1c1ccccc1,CI,0 | |
| COc1ccccc1N=C1SCC(=O)N1Cc1ccco1,CI,0 | |
| COCCCNC1=C(C#N)C(=O)NC2(CCCC2)S1,CI,0 | |
| COCCCNC1=C(C#N)C(=O)NC(c2cccc([N+](=O)[O-])c2)S1,CI,0 | |
| O=c1c(=CC=Cc2ccccc2)sc2n1CCN=2,CI,0 | |
| CC12OC3(C)c4ccccc4OP3(c3ccccc3)(Oc3ccccc31)O2,CI,0 | |
| N=c1ccn2c(n1)OC1C(OC(=O)C34CC5CC(CC(C5)C3)C4)C(COC(=O)C34CC5CC(CC(C5)C3)C4)OC12,CI,0 | |
| CCOC(=O)C(=NO)C1=CSC2=NNC(C)(C)N12,CI,0 | |
| C=C(OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O)C(C)=CC,CI,0 | |
| CC1(C)CC2C=C(C=O)C3(C=O)CC3(C)C2C1,CI,0 | |
| O=C(O)c1ccccc1P12(OC(=O)c3ccccc31)OC(=O)c1ccccc12,CI,0 | |
| CC(C)(C)c1cc(C(C)(C)O)c2c(c1)C(C)(C)OS2(C)Cl,CI,0 | |
| Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(OC=O)c3ccccc3)C2SC1,CI,0 | |
| CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1,CI,0 | |
| C=C1C(=O)OC2C=C(CO)C(OC(C)=O)CC(O)C(C)=CC(OC(=O)C(C)CC)C12,CI,0 | |
| COC(=O)c1cc2c(C(=O)OC)cc1CSCc1cccc(c1)CSC2,CI,0 | |
| Cc1c2cccc1CSCc1cccc(c1C)CSC2,CI,0 | |
| CC1=CSC2=NCCCCN12,CI,0 | |
| CCOc1ccc2nc3cc(N=Nc4ccc5c(N)c6cc(OCC)ccc6nc5c4)ccc3c(N)c2c1,CI,0 | |
| N#CC1=C(C#N)CCC2(C#N)C3C=CC(O3)C2(C#N)CC1,CI,0 | |
| CCC1=C(c2ccc(OC)cc2)CCC2(CCNC2)C1C,CI,0 | |
| CC1=NNB(O)c2sccc21,CI,0 | |
| O=c1c(Cl)c2cc3c(cc2c2ccccc12)nc1cccnc1n3C1CCCCC1,CI,0 | |
| N#CC(C(=N)c1ccccc1)=C1SSC(=C(C#N)C(=N)c2ccccc2)S1,CI,0 | |
| S=C1SC2(CCCC2)NC2=C1CCC2,CI,0 | |
| S=C1Cc2[nH]c(=S)sc(=S)c2C(=S)N1,CI,0 | |
| O=C(CC1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccccc1,CI,0 | |
| CSC1(CC(=O)N2CCCCC2)C(=O)Nc2ccccc21,CI,0 | |
| CC(C)(C)N1CC1CNC(=O)C(=O)NCC1CN1C(C)(C)C,CI,0 | |
| COc1cc2c(cc1OC)C13CCC(O)CC1=CC2(C)O3,CI,0 | |
| CC12C=C3CC(OC(=O)c4ccccc4)CCC3(O1)c1ccccc12,CI,0 | |
| S=C(c1cc(Br)ccc1Br)N1CN2CCN(C2)C1,CI,0 | |
| COC1=CC(O)(CC(N)=O)c2ccccc2C1=O,CI,0 | |
| CC(C)N=c1sc(-c2ccccc2)c(C#N)c(=O)n1C(C)C,CI,0 | |
| CC(C)N1C(=O)C(C#N)=C(c2ccccc2)SC1c1ccccc1,CI,0 | |
| CN(C)C12CCCCCCC1S(=O)(=O)C2,CI,0 | |
| O=c1[nH][nH]c2c1SCc1ccccc1-2,CI,0 | |
| O=c1c2c([nH]n1-c1ccccc1)-c1ccccc1CS2,CI,0 | |
| O=C1OCCOCCOCCOCCOC(=O)c2cccc1c2,CI,0 | |
| O=C1OCCOCCOCCOCCOCCOCCOC(=O)c2cccc1n2,CI,0 | |
| O=C1OCCSCCOCCSCCOC(=O)c2cccc1n2,CI,0 | |
| O=C1OCCOCCSCCOCCOC(=O)c2cccc1n2,CI,0 | |
| CS1(=O)=NC(=NC(=O)Nc2ccccc2)c2ccccc21,CI,0 | |
| N#CN=C1N=S(=O)(c2ccccc2)c2ccccc21,CI,0 | |
| Cc1cc(C)c(SSc2nnnn2-c2ccccc2)c(C)c1,CI,0 | |
| COc1[nH]c(C(O)C2OC(C)(C)OCC2O)nc1C#N,CI,0 | |
| Clc1cc2c(c3ncccc13)OCN(CCc1ccccc1)C2,CI,0 | |
| O=C(O)c1ccccc1SSC(=S)N1CCOCC1,CI,0 | |
| CC(C)S(=O)(=O)c1s[nH]c(=O)c1-c1ccccc1,CI,0 | |
| COc1ccc(C(=NN)C2=NNC3(CCCCC3)NN2)cc1,CI,0 | |
| Cc1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4ccc(C)cc4S(=O)(=O)O)c2C3=O)c(S(=O)(=O)O)c1,CM,1 | |
| CC(C)OC1CC(C)(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1,CI,0 | |
| Cc1nnc2sc(C=Cc3ccccc3)nn12,CI,0 | |
| O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1,CI,0 | |
| O=C1COC(c2ccccc2O)=NN1CCCN1CCCC1,CI,0 | |
| c1ccc(N2C3Sc4ncccc4C2Sc2ncccc23)cc1,CI,0 | |
| O=c1[n-][n+](C2OC(CO)C(O)C2O)c2ccccn12,CI,0 | |
| O=C1COC(c2ccccc2O)=NN1CCN1CCOCC1,CI,0 | |
| O=C1COC(c2ccccc2O)=NN1Cc1ccccc1,CI,0 | |
| O=C1COC(c2ccccc2O)=NN1CCCl,CI,0 | |
| CN1C(=O)C(=O)N2c3ccc(Cl)cc3C3(c4ccccc4)N=CC12O3,CI,0 | |
| CCN1CC2(C)CCC(OC)C34C5CC6CCC(O)(C5C(=O)O6)C(C(O)C23)C14,CI,0 | |
| COc1ccc2c(c1OC)C13CCCCC1C(C2)N(C)CC3.Cl,CI,0 | |
| C1CCSCCCCCSCCCCCSCCCCCSCC1,CI,0 | |
| C1CSCCSCCCSCCSCCCSCCSC1,CI,0 | |
| C1CSCCSCCSCCSCCSCCS1,CI,0 | |
| C1CSCCSCCSCCS1,CI,0 | |
| COc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC(=O)N1CCOCC1,CI,0 | |
| CCOC(=O)C1=CNN=CC12C(=O)C(C(=O)OCC)CC2C(=O)OCC,CI,0 | |
| N=C1NS(=O)(=O)Nc2nn(-c3ccccc3)nc21,CI,0 | |
| C1OC2OCC1O2,CI,0 | |
| CN1C(=O)c2ccccc2Cc2c(N3CCCC3)ncnc21,CI,0 | |
| CN1C(=O)c2ccccc2Cc2c(NCc3ccccc3)ncnc21,CI,0 | |
| Clc1ccc(-n2cnn3c(-c4ccccc4)ncc23)cc1,CI,0 | |
| Cc1ccc2c(c1)C(=O)C(Cl)(C(Cl)c1ccccc1)S2,CI,0 | |
| CC1(O)C=CC(=O)C=C1,CI,0 | |
| O=C1C2CCC(N1c1ccc(F)cc1)n1c(=O)n(-c3ccccc3)c(=O)n12,CI,0 | |
| CN1C(=O)C2CCC1n1c(=O)n(-c3ccccc3)c(=O)n12,CI,0 | |
| O=C1C2CCC(N1CCc1ccccc1)n1c(=O)n(-c3ccccc3)c(=O)n12,CI,0 | |
| CN1CCC23c4c5cc(-c6cc7c8c(c6O)OC6C(O)C=CC9C(C7)N(C)CCC896)c(O)c4OC2C(O)C=CC3C1C5.CS(=O)(=O)O,CI,0 | |
| CN1[PH](F)(F)[Fe]23(C#[O+])(C#[O+])C(=O)[Fe]2(C#[O+])(C#[O+])([PH]1(F)F)[PH](F)(F)N(C)[PH]3(F)F,CI,0 | |
| CC1CCOn2c1nc1ccccc1c2=O,CI,0 | |
| O=c1c2ccc(Cl)cc2nc2n1OCC2,CI,0 | |
| N=C1N=C2OC3C(O)C(CO)OC3N2CN1,CI,0 | |
| O=C(C=C(SSC(=CC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| COC(=O)C(=C(C)C=O)N1C(=O)C(NC(=O)c2ccccc2)C1SSc1nc2ccccc2s1,CI,0 | |
| O=c1oc(-c2ccccc2)nnc1-c1ccccc1,CI,0 | |
| O=c1n(-c2ccccc2)c(=O)n2c(=O)n(-c3ccccc3)c(=O)n12,CI,0 | |
| Cn1c(=O)c2c(ncn2CC(=O)NN=C2SCC(=O)N2Cc2ccccc2)n(C)c1=O,CI,0 | |
| O=c1c2cc3ccccc3n2c(=O)c2cc3ccccc3n12,CI,0 | |
| C=C1C(=O)OC2C1C(OC(=O)C1(C)OC1C)C(OC(C)=O)C(C(=O)OC)=CCCC1(C)OC21,CI,0 | |
| C=C1C(=O)OC2C=C(C)C3OC3C=C(C(=O)OC)C(OC(C)=O)C(OC(=O)C(C)(O)C(C)OC(C)=O)C12,CI,0 | |
| COc1cccc2c1N(COC(C)=O)C(=O)C1C=CC(C)(C)OC21,CI,0 | |
| COc1ccc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)cc1OC.COc1ccc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)cc1OC,CI,0 | |
| O=c1oc(-c2ccccc2Br)ns1,CI,0 | |
| COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3OCc3ccccc3)coc2c1,CI,0 | |
| COc1cc(OCc2ccccc2)c(O)cc1-c1coc2cc(OCc3ccccc3)ccc2c1=O,CI,0 | |
| Cc1nc2nc3n(c(=O)c2nc1C)CCS3,CI,0 | |
| CC(C)=CCc1cc(C2COc3cc4c(c(O)c3C2=O)C=CC(C)(C)O4)c(O)cc1O,CI,0 | |
| Cc1cc(Cl)n2nc(-c3ccc(Cl)cc3)nc2n1,CI,0 | |
| CN1C(=O)Cn2c(nn(Cc3ccccc3)c(=O)c2=O)-c2cc(Cl)ccc21,CM,1 | |
| O=C1OC(Cc2ccccc2)=C(Cl)C(Cl)(Cc2ccccc2)C1Cl,CI,0 | |
| Cc1cc2c(c(=O)o1)C1=S(SC(c3ccccc3)=C1)S2,CM,1 | |
| O=C1Oc2ccccc2C(=O)C1=C1SSC(c2ccccc2)=C1c1ccccc1,CI,0 | |
| COc1ccc(C2=CC(=C3C(=O)C=C(C)OC3=O)SS2)cc1,CI,0 | |
| Cc1ccc(-n2nc3c(c(C#N)c2=O)-c2ccccc2C3=O)cc1,CI,0 | |
| CCOC(=O)C(C#N)=C1c2ccccc2C(=O)C1(Cl)C(N)=O,CI,0 | |
| CN1C(=O)C23SSC1(C)C(=O)N2c1ccccc1C3(C)C,CI,0 | |
| CCOC(=O)c1c(OCCCc2ccc(F)cc2)cc2ccc3ccccc3c2c1OCCCc1ccc(F)cc1,CI,0 | |
| O=C1OC(C(=O)O)c2ccc3c(c21)OCO3,CI,0 | |
| Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C3(Sc4ccccc4N3C)C2=O)cc1,CI,0 | |
| O=C1OCCOCCOCCOC(=O)c2ccccc2SSc2ccccc21,CI,0 | |
| O=C1OCCCCCCOC(=O)c2ccccc2SSc2ccccc21,CI,0 | |
| O=C1OCCCCOC(=O)c2ccccc2SSc2ccccc21,CI,0 | |
| Oc1cc(OCCCc2ccc(F)cc2)cc2ccc3ccccc3c12,CI,0 | |
| CCOC(=O)c1c(C)cc(C)nc1S[Sn](Br)(Br)Sc1nc(C)cc(C)c1C(=O)OCC,CI,0 | |
| CN(C)CCC1(C)OCCC2=C1Cc1ccccc12,CI,0 | |
| CC(=O)OC1CC2CCC3C(CCC4(C)C3CC([N+]3(C)CCCCC3)C4OC(C)=O)C2(C)CC1[N+]1(C)CCCCC1,CI,0 | |
| CC1OC(CC(=O)O)Cc2c(O)c3c(c(O)c21)C(=O)C=C(C1=CC(=O)c2c(O)c4c(c(O)c2C1=O)CC(CC(=O)O)OC4C)C3=O,CI,0 | |
| Cc1cccc(-n2nc3c(=O)n(C)c(=O)n(C)c3nc2=O)c1,CI,0 | |
| c1cc2sc3ccc(OCCCN4CCCCC4)cc3c2cc1OCCCN1CCCCC1,CI,0 | |
| CCn1c2ccc(C(=O)CCCN3CCCCC3)cc2c2cc(C(=O)CCCN3CCCCC3)ccc21,CI,0 | |
| c1ccc([As](c2ccccc2)c2ccccc2[Bi](c2ccccc2)c2ccccc2)cc1,CI,0 | |
| C1=C(c2ccccc2)SC(N2CCCCC2)S1,CI,0 | |
| COP1(=O)OC(C)=C(C)c2cccn21,CI,0 | |
| Cl[Pd-2]12NCCS[S+]1CCN2,CI,0 | |
| Cl[Pt-2]12NCCS[S+]1CCN2,CI,0 | |
| c1ccc2c(c1)cnc1c3ccccc3nn21,CI,0 | |
| COC1CC(CC2CCC(C)C(C(C)C(=O)O)O2)OC2(OC(C)(C3CCC(C)(C4OC(C5OC(O)(CO)C(C)CC5C)CC4C)O3)CC2C)C1C,CM,1 | |
| c1cc2c(c(CC3CO3)c1CC1CO1)OCCOCCOCCOCCO2,CI,0 | |
| CC1(C)CCCC2(C)C1CCC1(C)OC3=CC(=O)C(O)=CC3=CC12,CI,0 | |
| CCC12C=CCN3CCC4(c5cc(C6(C(=O)OC)CCCCCc7c6[nH]c6ccccc76)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32,CI,0 | |
| Cc1c(C)c2c(c3c1OC(C)(C)CC3)CCC(C)(C)O2,CI,0 | |
| Cc1ncc2c(n1)-c1ccccc1OC2O,CI,0 | |
| CCN(CC)c1nc(NC2CCCCC2)c2nc(N(CC)CC)nc(NC3CCCCC3)c2n1,CI,0 | |
| C=C(C)C(=O)OC1CC2=CC(CC3(C)OC3C3OC(=O)C(=C)C13)OC2=O,CI,0 | |
| C=CC(C)(C)C12CC3C(=O)NC(=Cc4c[nH]cn4)C(=O)N3C1Nc1ccccc12,CI,0 | |
| CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1,CI,0 | |
| O=C1NCCN1C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,CI,0 | |
| Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)Cn4cnnn4)C3SC2)s1,CI,0 | |
| Clc1c2ccccc2[se][n+]1-c1ccccc1,CI,0 | |
| Clc1c2ccccc2[se][n+]1Cc1ccccc1,CI,0 | |
| C[n+]1[se]c2ccccc2c1Cl,CI,0 | |
| COc1ccc(SSc2ccc(OC)n[n+]2[O-])[n+]([O-])n1,CI,0 | |
| CS(=O)(=O)O.N=C(N)c1ccc2oc(C=Cc3cc4cc(C(=N)N)ccc4o3)cc2c1,CI,0 | |
| COc1ccc(Oc2c(OC)cc(NCc3ccc(CN)cc3)c3ncccc23)cc1.O=C(O)C=CC(=O)O,CI,0 | |
| COc1ccc(Oc2c(OC)cc(NCCCCCN3C(=O)c4ccccc4C3=O)c3ncccc23)cc1,CI,0 | |
| CC(=O)OC1N(C(C)=O)C(SC23CC4CC(CC(C4)C2)C3)C(C)=CC1(C)OC(C)=O,CI,0 | |
| S=C(Nc1ccc(N=Nc2ccccc2)cc1)SCc1ccc2c(c1)OCO2,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1=C1SSC(=C2C(=O)N(c3ccccc3)N=C2C)S1,CI,0 | |
| O=C1C(=C2CCCC2)CCC1=C1SSC(=C2CCC(=C3CCCC3)C2=O)S1,CI,0 | |
| O=C1CCCC1=C1SSC(=C2CCCC2=O)S1,CI,0 | |
| S=C(SSC(=S)C1CCCC1=NC1CCCCC1)C1CCCC1=NC1CCCCC1,CI,0 | |
| CC(C)N=C1CCCC1C(=S)SSC(=S)C1CCCC1=NC(C)C,CI,0 | |
| c1c[se]c(-c2nc3ccccc3[nH]2)c1,CI,0 | |
| CC(=O)OC1C=CC(SC23CC4CC(CC(C4)C2)C3)N(C(C)=O)C1SC12CC3CC(CC(C3)C1)C2,CI,0 | |
| O=c1oc2c3c4c(cc2c2c1CCC2)CCCN4CCC3,CI,0 | |
| CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1,CI,0 | |
| C1=CC2=[S+][Zn-2]3(ON2C=C1)ON1C=CC=CC1=[S+]3,CI,0 | |
| c1ccc2c(c1)NC1=C(CSCC1)c1nncn1-2,CI,0 | |
| NNC1=Nc2ccccc2N=C2CCSCC21,CI,0 | |
| Clc1cccc2nn3ccnc3n12,CI,0 | |
| Clc1ccc(C2NCCNCc3ccccc32)cc1,CI,0 | |
| C1CCC(NC2CCCCC2)CC1.CSCCC(NP(=S)(c1ccccc1)c1ccccc1)C(=O)O,CI,0 | |
| O=CC(O)C(O)C(O)C(O)C(=O)O[Pt-2]1(OC(=O)C(O)C(O)C(O)C(O)C=O)NC2CCCCC2N1,CI,0 | |
| O=CC(O)C(O)C(O)C1O[Pt-2]2(NC3CCCCC3N2)OC1=O,CI,0 | |
| N=C1NS(=O)(=O)N=C2NON=C12,CI,0 | |
| NC1=c2nc[nH]c2=NS(=O)(O)=N1,CI,0 | |
| CN1C(=O)C2(Cc3cn(C45CC67SSC(CO)(C(=O)N6C4Nc4ccccc45)N(C)C7=O)c4ccccc34)SSC1(CO)C(=O)N2C,CI,0 | |
| CC(=O)C=C(c1ccccc1)c1c(O)c2ccccc2oc1=O,CI,0 | |
| O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCN(CCO)CC1,CI,0 | |
| CN(C)CCCC12OC(c3ccccc31)C(O)c1ccccc12,CI,0 | |
| CN1Cc2c(N)cccc2C(c2ccccc2)C1.O=C(O)C=CC(=O)O,CI,0 | |
| O=c1sc2ncccc2n1-c1ccc([N+](=O)[O-])cn1,CI,0 | |
| O=C1CSc2ncccc2N1c1ccc([N+](=O)[O-])cn1,CI,0 | |
| O=c1nc(Oc2ccccc2)nc2cnccn12,CI,0 | |
| CCCCCC1c2c(cc(C)nc2O)OC(O)C1CCCC,CI,0 | |
| O=C(CN1CCCCC1)c1ccc2c(c1)Cc1cc(C(=O)CN3CCCCC3)ccc1O2,CI,0 | |
| O=c1oc2nc3ccc(Cl)cc3c(=O)n2c2ccc(Cl)cc12,CI,0 | |
| O=c1oc2c(c(=O)n1-c1ccccc1)CC1(CCCCC1)C2,CI,0 | |
| O=C1CSC(=Nc2ccccc2)N1c1ncccn1,CI,0 | |
| O=C(CNN1C(=O)CSC1=Nc1cccc2ccccc12)c1cccc2c1Nc1ccccc1S2,CI,0 | |
| O=c1oc2ccccc2n1P(=O)(N1CCOCC1)N1CCOCC1,CI,0 | |
| CNC1=Nc2ccc(Cl)cc2C(OP(=O)(N2CCOCC2)N2CCOCC2)=NC1,CI,0 | |
| CCN(CC)CCNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCc1cc(OC)ccc1-2,CI,0 | |
| C=C1CCC(OC(C)=O)C2(C)C(OC(C)=O)CC3OC3(C)C2C(OC(C)=O)C2C(C)C(=O)OC2C1Cl,CI,0 | |
| CC1(Cl)CC2OC3(Br)C=CC(C)(O)C2(CC1Br)C3(C)C,CI,0 | |
| CC(C)c1nsc2c1C(=O)NC(C(C)(C)C)N2,CI,0 | |
| CC(C)(C)C1(C#N)C(=O)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12,CI,0 | |
| CC(C)(C)C1(C#N)C(=O)N(c2ccc(N3C(=O)C(C#N)(C(C)(C)C)C34c3ccccc3-c3ccccc34)cc2)C12c1ccccc1-c1ccccc12,CI,0 | |
| O=C1CC2(C(=O)N1CN1CCOCC1)c1ccccc1-c1ccccc12,CI,0 | |
| O=C1CC2(C(=O)N1CN1CCCCC1)c1ccccc1-c1ccccc12,CI,0 | |
| CC1(C)NNC(SCc2ccccc2)=NC1=O,CM,1 | |
| CSC1=NC(=O)C2(CCCCC2)N(C)N1,CI,0 | |
| CCOC(=O)c1nn(Cc2ccccc2)c(=S)[nH]c1=O,CI,0 | |
| O=C(OCc1ccccc1)C1CCN1C(c1ccccc1)c1ccccc1,CI,0 | |
| CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OCc2ccccc2)cccc1C3=O,CI,0 | |
| C=C1N(c2nc(Cl)nc(Cl)n2)c2ccccc2C1(C)C,CI,0 | |
| CCN(CC)C(NC)=[Pd-3]1(Cl)C(=O)CC[N+]1(CC)CC,CI,0 | |
| C=C1CC2(CCS(=O)(=O)c3ccccc32)OC1=O,CI,0 | |
| C=C1C(=O)OC2(C)CCC1CC1OC1(C)CCC=C(C)CCC2O,CI,0 | |
| CC(=O)n1nc(C)c(-c2onc3ccc(Cl)cc23)c1C,CM,1 | |
| O=C1CCCCc2scc(C(=O)O)c2N1,CI,0 | |
| Cc1noc(C)c1-c1onc2ccc(Cl)cc12,CI,0 | |
| COc1cc2c(cc1O)N=CC1CCC(O)N1C2=O.COc1cc2c(cc1O)N=CC1CCC(O)N1C2=O,CI,0 | |
| NC(=O)c1c2n(c3ncnc(N)c13)C1OC(CO)C(O)C1S2,CI,0 | |
| Cc1ccc(S(=O)(=O)OC2C(O)C(CO)OC2n2c(Br)c(C(N)=O)c3c(N)ncnc32)cc1,CI,0 | |
| CC1CC(C)(C)C2=NCCN21,CI,0 | |
| NN1C(=O)CSC1=NNC(=S)N=C1SCC(=O)N1N,CI,0 | |
| CC1(C)CC23C4COC(=O)C2CCC1C3CC4=O,CI,0 | |
| CCC1CC2CN3CCc4c([nH]c5ccc(OC)cc45)C(COC(=O)c4ccc(OC)c(OC)c4)(C2)C13,CI,0 | |
| COc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2c(OC)c1OC)COC3=O,CI,0 | |
| O=C1CC(C2(c3ccc4c(c3)OCO4)SCCCS2)CO1,CI,0 | |
| COc1cc(C=NC2CCCCC2)cc(OC)c1OC,CI,0 | |
| OC1(c2ccccc2)CSC2=Nc3ccccc3C3CCN1N23,CI,0 | |
| O=c1cnn2c(n1)OC1C(O)C(CO)OC12,CI,0 | |
| CCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)C12C=Cc1cccc([N+](=O)[O-])c1O2,CI,0 | |
| C=C1C(=O)OC2C1CC1OC2C(C)CCCC(C)=CCCC1(C)O,CI,0 | |
| COc1ccc2c(c1)C1CCN(C)CC1OC2=O,CI,0 | |
| N#Cc1ncc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)nc1N,CI,0 | |
| COc1ccc2cc3nc(O)cc(O)c3cc2c1OC,CI,0 | |
| c1c2c(cc3c1OCN(C1CC1)C3)OCN(C1CC1)C2,CI,0 | |
| CC1(O)c2ccccc2[PH](C)(c2ccccc2)c2ccccc21,CI,0 | |
| CC(C)C1=CC2=C(C(=O)C1=O)C13CCCC(C)(C)C1CC2OC3=O,CI,0 | |
| COc1ccc2c(c1)CSCC2=O,CI,0 | |
| CCOc1nc(C(=O)O)cc2ccsc12,CI,0 | |
| O=C1c2ccccc2-c2nc3ncccc3cc21,CI,0 | |
| c1ccc(-c2cc3ccc4cccnc4c3o2)cc1,CI,0 | |
| COC12CC(O)=C(C(C)=O)C(=O)C1(C)c1c(OC(C)=O)c(C)c(O)c(C(C)=O)c1O2,CI,0 | |
| Cn1c(=O)c2nc(-c3cccnc3)cnc2n(C)c1=O,CI,0 | |
| CC(C)CC1NC(CC(C)C)N2C(CC(C)C)N12,CI,0 | |
| CC(C)CNC12CN3CN(CN(C3)C1)C2,CI,0 | |
| O=C(Nc1ccccc1)N1CC2(CN1)CNN(C(=O)Nc1ccccc1)C2,CI,0 | |
| O=C1C[N+]2(Cc3ccccc3)CCC1CC2,CI,0 | |
| c1ccc([PH](CCN2Cc3ccccc3C2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| Cc1cc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)ccc1C=Nc1ccc(-c2nc(Cc3ccccc3)sc2C)cc1,CI,0 | |
| CCOC(=O)Nc1ccc2nc(N3CCCCCC3)sc2c1,CI,0 | |
| c1ccc2c(c1)nc1n2CC2(CS1)CSc1nc3ccccc3n1C2,CI,0 | |
| O=C1O[Pt-2]2(NC3CCCC3N2)OC1=O,CI,0 | |
| O=C1CC(=O)NP(=O)(Oc2ccccc2)N1,CI,0 | |
| COc1cc2c(cc1OC)C(C1c3cc(OC)c(OC)cc3-c3c(OC)c(OC)cc4c3C1N(C)CC4)C1c3c(cc(OC)c(OC)c3-2)CCN1C,CI,0 | |
| Cc1ccccc1CN1C2=NCCN2C(=O)C2=C1CCN(S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C2,CI,0 | |
| Cc1ccc(S(=O)(=O)CC2(Br)CCc3ccccc3C2=O)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)CC2(Br)Cc3ccccc3C2=O)cc1,CI,0 | |
| CC(=O)OCC1Cn2c(c(-c3ccccc3)c(=O)[nH]c2=S)O1,CI,0 | |
| O=C1NC(=O)C2(c3ccccc3)CCN1C2=O,CI,0 | |
| O=C1NC(=O)N2CC(CI)OC2C1c1ccccc1,CI,0 | |
| CC1Cn2c(c(-c3ccccc3)c(=O)[nH]c2=O)O1,CI,0 | |
| O=C(SCc1c(O)c2ccccc2oc1=O)c1ccccc1,CI,0 | |
| c1ccc2c(c1)SCC1COCOC21,CI,0 | |
| OCCN1OCCCC1c1ccccc1,CI,0 | |
| CC12COC3(C)CCC(C)(OC1)N23,CI,0 | |
| Cn1nc(-c2ccc3c(c2)OCO3)[n+]([O-])c2c(=O)n(C)c(=O)nc1-2,CI,0 | |
| Cn1nc(-c2ccc3c(c2)OCO3)nc2c(=O)n(C)c(=O)nc1-2,CI,0 | |
| Cc1nn(C)c2nc(=O)n(C)c(=O)c-2[n+]1[O-],CI,0 | |
| CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=Nc2ccc(-c3csc(COc4ccccc4)n3)cc2)cc1,CI,0 | |
| NS(=O)(=O)c1ccc(NN=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1,CI,0 | |
| COc1ccc(OC)c(-n2nnc3ccccc3c2=O)c1,CI,0 | |
| C=CCn1nnc2ccccc2c1=O,CI,0 | |
| Sc1cc2c(c3ccccc13)Nc1ccccc1S2,CI,0 | |
| COC(=O)C1C2COc3ccccc3C2=NC1c1ccc([N+](=O)[O-])cc1,CI,0 | |
| CC(C)n1nnnc1-c1ccccc1,CI,0 | |
| CCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(O)C(C)=CC32)C2C(C)(C)C12OC(C)=O,CM,1 | |
| COc1ccc(CCNc2ccc(NCCc3ccc(OC)c(OC)c3)c3c2C(=O)c2ccccc2C3=O)cc1OC,CI,0 | |
| O=C1NNC2CCCCC2O1,CI,0 | |
| COc1ccc(C2=NNC(=O)OC2c2ccccc2)cc1,CI,0 | |
| Cc1ccccc1N1C(=O)N[N+]2(CCCCC2)C1=O,CI,0 | |
| CC(C)(C)N1C(=O)N[N+]2(CCCCC2)C1=O,CI,0 | |
| CN1C(=O)C2CCCN2C(=O)C1(C)NC(=O)OCc1ccccc1,CI,0 | |
| CN1C(=O)C2(C)SSC1(C)C(=O)N2C,CI,0 | |
| CN1C(=O)C23CCCN2C(=O)C1(C)SC(=N)S3,CI,0 | |
| N=C1SC23CCCN2C(=O)C2(CCCN2C3=O)S1,CI,0 | |
| CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1CCC2,CI,0 | |
| C=c1[nH]c(=O)c(=C)[nH]c1=O,CI,0 | |
| CCOC(=O)c1cn2ccccc2c(C(=O)c2cccnc2)c1=N,CI,0 | |
| CCOC(=O)c1cn2ccccc2c(C(C)=O)c1=N,CI,0 | |
| CN1C(=O)C(O)(Cc2nccc3ccccc23)c2ccccc21,CI,0 | |
| Cc1nc2ccccc2nc1CC(=N)c1ccccc1,CI,0 | |
| Cn1nc(C=Cc2ccccc2)nc2c(=O)n(C)c(=O)nc1-2,CI,0 | |
| Oc1ncnc2cc3c(cc12)nc1n3CCOC1,CI,0 | |
| CC(=O)OC1C=C(C=O)C(O)(C=O)C2(C)CCCC(C)(C)C12,CI,0 | |
| CC12CCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O,CI,0 | |
| FC(F)(F)c1ccc2c3c(c4c(c2n1)OCN(Cc1ccc(Cl)cc1Cl)C4)CN(Cc1ccc(Cl)cc1Cl)CO3,CI,0 | |
| Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNC(C)c3ccccc3)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1.O=S(=O)(O)O,CI,0 | |
| CC1(C)OCC(CO)(Nc2nc(N3CC3)nc(N3CC3)n2)CO1,CI,0 | |
| CC(=O)Oc1ccc2c3c4nc5ccccc5nc4cc(OC(C)=O)c3n(C)c2c1,CI,0 | |
| COc1cc2c(cc1OC)C1CC(OC(=O)c3ccccc3)(c3nccc4cc(OC)c(OC)cc34)CCN1CC2,CI,0 | |
| N#CC(N)=C(C#N)N=C1OCC(O)C(O)C1O,CI,0 | |
| COc1cc2c(cc1Oc1ccc(OC)c3c1CC1c4c(cc(OC)c(OC)c4-3)CCN1C)CC1c3c(cc(OC)c(OC)c3-2)CCN1C,CI,0 | |
| COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CC1=C2CCP1(C)=O,CI,0 | |
| COc1ccc2c3c(cnc2c1)P(C)(=O)CC3,CI,0 | |
| CP1(=S)CCC2=C1c1ccc(O)cc1CC2,CI,0 | |
| CP1(=S)CC(Cl)=C2CCCCC21,CI,0 | |
| O=S(=O)(NCCSSCCNS(=O)(=O)c1cccc2cccnc12)c1cccc2cccnc12,CI,0 | |
| O=S(=O)(NCCSSCCNS(=O)(=O)c1cccs1)c1cccs1,CI,0 | |
| O=S(=O)(NCCSSCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1,CI,0 | |
| c1ccc2sc(NCCSSCCNc3nc4ccccc4s3)nc2c1,CI,0 | |
| c1ccc2oc(NCCSSCCNc3nc4ccccc4o3)nc2c1,CI,0 | |
| Nc1nc(N)nc(NCCSSCCNc2nc(N)nc(N)n2)n1,CI,0 | |
| CC1C[PH](c2ccccc2)(c2ccccc2)Cc2ccccc21,CI,0 | |
| CC1CC[PH](c2ccccc2)(c2ccccc2)c2c1ccc1ccccc21,CI,0 | |
| O=C1CC2(Cl)CN3c4ccccc4C(=O)CC3(Cl)CN2c2ccccc21,CI,0 | |
| COc1cc2c(cc1O)C1CC(CC3CCCCN31)OC(=O)C=Cc1ccc(O)c-2c1,CI,0 | |
| CC(C)c1ccc(C(=O)C=C(O)C(O)=CC(=O)c2ccc(C(C)C)cc2)cc1,CI,0 | |
| CCOC(=O)C1=Nc2ccccc2N=C(C2C(=O)C=C(C)OC2=O)C1,CI,0 | |
| COC(CCC(C)C1OC23CC(OC(=O)CC(C(C)O)OC(=O)CC(O)(O2)C(C)CC3(C)C)C1C)c1cccc(O)c1,CM,1 | |
| O=C(O)c1ccc2c(c1)C(=O)O[Pt-2]1(NC3CCCCC3N1)OC2=O,CI,0 | |
| O=[N+]([O-])c1ccc(C2OCC3CSCN32)cc1,CI,0 | |
| c1ccc(C2SCC3COCN32)cc1,CI,0 | |
| C1OCN2CSCC12,CI,0 | |
| c1ccc(SCCC(Sc2ccccc2)Sc2ccccc2)cc1,CI,0 | |
| CCOC(=O)C1(c2ccccc2)C(=O)Oc2ccccc21,CI,0 | |
| COc1cc2c(cc1O)-c1n[nH]cc1CCC2,CI,0 | |
| COc1cc2c(cc1O)-c1oncc1CCC2,CI,0 | |
| C#CC1(O)CCC2C3CCC4=Cc5oncc5CC4(C)C3CCC21C,CI,0 | |
| CC(=O)O.Cc1cc(NCCCCCCCCNc2cc(C)nc3cc(N)ccc23)c2ccc(N)cc2n1,CI,0 | |
| COc1ccc(C(O)C[N+]([O-])=Cc2ncc([N+](=O)[O-])n2C)cc1,CI,0 | |
| O=c1cc(O)n2nncc2[nH]1,CI,0 | |
| Sc1ccccc1N=Cc1cccs1,CI,0 | |
| CCCN1NOC(=N)N1,CI,0 | |
| OC1COCC2N3C(=NN12)Sc1ccccc13,CI,0 | |
| CCCNC(=S)NN1C2CSC1CS2,CI,0 | |
| CC(=O)c1c(O)cc2c(c1O)C1CC(C)(CCC1=C(C)C)O2,CI,0 | |
| Nc1ccc2oc3cccnc3c2c1,CI,0 | |
| CCCCCCCCCCCCCCCCN1C(=O)C(=Cc2ccc(O)cc2)SC1=Nc1ccccc1,CI,0 | |
| CC(O)C1C=CC=CC(=O)OC2CC3OC4C5OC5(C)CCC4(COC(=O)C4OC4(C)C(O)CO1)C2(C)C31CO1,CI,0 | |
| CC1=CC2OC3CC4OC(=O)C=CC=CC(C(C)O)OCC(O)C5(C)OC5C(=O)OCC2(CC1O)C4(C)C31CO1,CI,0 | |
| N#Cc1c(N)sc(=S)c2c1CCCC2,CI,0 | |
| CCc1cccc(CC)c1N1C(=O)C2=C(SCCCS2)C1=O,CI,0 | |
| N#CC1=C(C#N)SCCCS1,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(CNCc5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COc1ccc(CC2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(CC2c3cc4c(c(OC)c3CCN2C)OCO4)cc1,CI,0 | |
| Clc1c(Cl)c2c(Cl)c(Cl)c1C[PH](c1ccccc1)(c1ccccc1)CC[PH](c1ccccc1)(c1ccccc1)Cc1c(Cl)c(Cl)c(c(Cl)c1Cl)C[PH](c1ccccc1)(c1ccccc1)CC[PH](c1ccccc1)(c1ccccc1)C2,CI,0 | |
| CN1CCN(C)P1c1ccccc1,CI,0 | |
| COc1ccc(OP2OCC(C)O2)cc1,CI,0 | |
| CCN(CC)P1(=S)OCC(C)O1,CI,0 | |
| COc1ccc(C=C2C=C3OCOC3=CC2=O)cc1,CI,0 | |
| COc1ccc(CC2=CC(=O)C(=O)C=C2C)cc1,CI,0 | |
| COC(=O)C12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=CCC(C)C(O)C4(C(=O)OC)O5)c(O)c3C(=O)C1=CCC(C)C2O,CI,0 | |
| COc1cc(NCCN2CCN(CCNc3cc(OC)cc4cccnc34)CC2)c2ncccc2c1,CI,0 | |
| CCN(Cc1ccccc1)c1ccc(C=Cc2nccc3ccccc23)cc1,CI,0 | |
| C(=Cc1ccnc2ccccc12)c1ccc(N=CNc2ccc(C=Cc3ccnc4ccccc34)cc2)cc1,CI,0 | |
| CCN(Cc1ccccc1)c1ccc(C=Cc2ccnc3ccccc23)cc1,CI,0 | |
| CCN(CC)C(=O)C1(C)NS(=O)(=O)c2ccccc2C1=O,CI,0 | |
| CC1CC(c2ccc3ccccc3c2)NCCNC(c2ccc3ccccc3c2)CC(C)NCCN1,CI,0 | |
| COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)C(C)O1,CI,0 | |
| COc1cc2c(cc1OC)C(CNC(=O)C=Cc1cc(OC)c(OC)c(OC)c1)C2,CI,0 | |
| CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(OC(C)=O)C2(C)C(C(C)CC(=O)C(=O)c3ccccc3)CCC12,CI,0 | |
| O=C(Cn1c(=O)ccc2ccccc21)Cn1c(=O)ccc2ccccc21,CI,0 | |
| CC1OC(CC(=O)O)CC2=C1C(=O)c1c(O)cccc1C2=O,CI,0 | |
| CC(=O)C1(O)C(=[N+]=[N-])C(=O)Nc2ccccc21,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C2OC(C)(C)OC(C1C)C2C)C4=O,CI,0 | |
| CC(=O)Nc1ncc2ccccc2c1-c1ccc(NC(=O)CN(CCO)CCO)cc1,CI,0 | |
| O=c1c2cnccc2cc2n1CCc1c-2[nH]c2ccccc12,CI,0 | |
| COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C(C1(C)CO1)CO2,CI,0 | |
| O=C1CC(=O)O[Pt-2]2(NC3CCCCC3N2)O1,CI,0 | |
| O=C1[OH+][Pt-2]2(NC3CCCCC3N2)[OH+]C1=O,CI,0 | |
| CN(C)CNc1ncnc2onc(-c3ccccc3)c12,CI,0 | |
| COC1=C(C2=C(OC)C(=O)c3cc4c(c(O)c3C2=O)C(=O)OC(C)C4)C(=O)c2c(cc3c(c2O)C(=O)OC(C)C3)C1=O,CI,0 | |
| Clc1cc2nsnc2c(Cl)n1,CI,0 | |
| N=c1[nH]c(Cl)cc2nsnc12,CI,0 | |
| COC(=O)C=C1Nc2c(n(C)c(=O)n(C)c2=O)NC1=O,CI,0 | |
| Cc1ccccc1Nc1nc(-c2ccccc2)nc(N)c1N=O,CI,0 | |
| CC(C)C(O)(C(=O)OCC1=CN2CCC1CC2)c1ccccc1,CI,0 | |
| CCOC(=O)CN1CCC(C(O)c2cc3ccccc3[nH]2)CC1,CI,0 | |
| N#CCc1c(C2(c3ccncc3)OCCO2)[nH]c2ccccc12,CI,0 | |
| Cn1c(C(=O)c2cc3ccccc3n2C)cc2ccccc21,CI,0 | |
| COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC1(O)CC3OC1(C)OC,CI,0 | |
| CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O,CI,0 | |
| COc1ccc(C=C2N=C(c3ccccc3)OC2=O)c(OCc2ccccc2)c1,CI,0 | |
| CCN(CC)CC(C)C1NS(=O)(=O)c2ccccc21,CI,0 | |
| CCN(CC)C1=NS(=O)(=O)c2ccccc2C(SC)=C1C,CI,0 | |
| CCN=C1SC2C(=O)N(C)C(S1)C(=O)N2C,CI,0 | |
| CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC21CCC(=O)O1,CI,0 | |
| C1=[N+]2CCCN3CCC[N+]4=Cc5ccccc5O[Co-3]324Oc2ccccc21,CM,1 | |
| CC1CCN(SSc2nc3ccccc3s2)CC1,CM,1 | |
| O=CN(SSN(C=O)C1CCCCC1)C1CCCCC1,CI,0 | |
| COc1oc(C2CC(=CC(C)=CC(C)=CC(C)=Cc3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C,CI,0 | |
| CC1=C(Br)C(c2ccccc2)=Nc2ccccc2N1,CI,0 | |
| CCOC(OCC)c1ccc(-n2c(=S)[nH]cc(C#N)c2=N)c2c1OC2=NC=C(C#N)C#N,CI,0 | |
| COC(=O)c1ccc2cc1nc1c(C#N)c[nH]c(=S)n21,CI,0 | |
| C(=Cc1nc2ccccc2s1)c1ccc2c(c1)OCO2,CI,0 | |
| Cc1cccc(-n2cc(C#N)c3c(C)cc(C)nc32)c1,CI,0 | |
| N#CC1C(C#N)C2(c3ccccc3)C(c3ccccc3)=NN(c3ccccc3)CC12,CI,0 | |
| Cc1ccc(S(=O)(=O)ON=C(CCC(=NOS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c2ccccc2)cc1,CI,0 | |
| COC(=O)c1nn2c(=O)[nH]c3ccccc3c2c1C(=O)OC,CI,0 | |
| O=C1Nc2ccccc2SC1=Cc1ccccc1,CI,0 | |
| CC1C(c2ccccc2)=Nn2c(=O)n(-c3ccccc3)c(=O)n21,CI,0 | |
| COC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=C(C=NN3CCCCC3)C1=O)C2=O,CI,0 | |
| COC1C=CC=C(C)C(=O)Nc2cc3nc4ccc(Br)cc4oc-3c(c2=O)CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O,CI,0 | |
| O=c1n(-c2ccccc2)c(=O)n2n1C1C=CC2C23C=CC12CCCC3,CI,0 | |
| Cn1c(=O)n2n(c1=O)C1C3C4C3C3C5(COCC135)C42,CI,0 | |
| O=C1CC2C1C1C=CC2n2c(=O)n(-c3ccccc3)c(=O)n21,CI,0 | |
| Cn1c(=O)n2n(c1=O)C1C3C4C5C3C13COCC53C42,CI,0 | |
| Cn1c(=O)n2n(c1=O)C1C=CC2C2C=C(c3ccccc3)C21,CI,0 | |
| COc1cccc2c1C(=N)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1,CI,0 | |
| O=C1CC(c2ccccc2)C(c2ccccc2)C1=O,CI,0 | |
| COc1cc2c(cc1OC)C1CC(=O)C(CCCCCCC3CN4CCc5cc(OC)c(OC)cc5C4CC3=O)CN1CC2,CI,0 | |
| CC(C)(O)C1CCC2(C)CC(=O)NCCN12,CI,0 | |
| CC[N+]1(CC)CCC(=O)[Pd-2]12[O+]=C(C)CC(C)=[O+]2,CI,0 | |
| Nc1ncnc2c1C=C(B(O)O)B(O)N2,CI,0 | |
| O=C1CCC2=NCc3c(ccc4ccccc34)N12,CI,0 | |
| COc1ccc2c(ccc3nc(CCC(=O)O)n(C)c(=O)c32)c1,CI,0 | |
| N=c1sc(=S)[nH]c2[nH]ncc12.c1ccncc1,CI,0 | |
| CCOC(=O)C(=O)CC1=NC2CCCCC2N(C)C1=O,CI,0 | |
| O=C1c2ccccc2C(=O)N1CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| COC(=O)C1=COC2OC3C(C(C)O)C(=O)OC34C=CC1C24,CI,0 | |
| C[n+]1ccc(-c2nc(-c3cc[n+](C)cc3)nc(-c3cc[n+](C)cc3)n2)cc1,CI,0 | |
| C[n+]1ccccc1-c1nc(-c2cccc[n+]2C)nc(-c2cccc[n+]2C)n1.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,CI,0 | |
| COc1ccc(C2=NNC(=O)CC2)cc1OC,CI,0 | |
| COc1cc2c(cc1OC)C1=NN(c3ccccc3)C(=O)C1CC2,CI,0 | |
| Oc1cc2c(cc1O)-c1[nH]ncc1CC2,CI,0 | |
| C=CCNc1nc2c(s1)CCc1cc(OC)c(OC)cc1-2,CI,0 | |
| COc1cc2ccc3c(c2cc1OC)CCc1cnoc1-3,CI,0 | |
| COc1cc2c(cc1OC)-c1[nH]c(=N)sc1CC2,CI,0 | |
| CC1(C)CCc2cc3c(O)c(-c4ccccc4)c(=O)oc3cc2O1,CI,0 | |
| Cc1c(O)c2cccc(-c3ccccc3)c2oc1=O,CI,0 | |
| c1cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)ccn1,CI,0 | |
| C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1,CI,0 | |
| COc1c2c(cc3c1C1Oc4c(ccc(O)c4CC=C(C)C)C1CO3)OC(C)(C)C=C2,CI,0 | |
| CCC1c2cc3n(c(=O)c2COC1O)Cc1c-3nc2ccccc2c1Cl,CI,0 | |
| Cc1ccccc1N1C(=O)N[N+](C)(C)C1=O,CI,0 | |
| CC(=O)OC(C)C1C2=C(C(=O)CC1(C)O)C(=O)c1c(ccc(-c3ccc4c(c3O)C(=O)C3=C(C4=O)C(C(C)OC(C)=O)C(C)(O)CC3=O)c1O)C2=O,CI,0 | |
| N#Cc1cnc2nc1NCCCCCCC2,CI,0 | |
| Sc1ncnc2c1ccc1[nH]cnc12,CI,0 | |
| O=C1c2ccccc2CCCC12OC2c1cccnc1,CI,0 | |
| CC(C)(C)C1C2N1C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21,CI,0 | |
| COc1cc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)C)c(Oc2cc(CC3c4cc(OC)c(OC)cc4CC[N+]3(C)C)ccc2OC)cc1OC,CI,0 | |
| Clc1cccc(Cl)c1C1CSc2ccccc2N=C1c1ccccc1,CI,0 | |
| CC1CC[P+](c2ccccc2)(c2ccccc2)c2c1ccc1ccccc21.F[P-](F)(F)(F)(F)F,CI,0 | |
| Cc1ccc2c(c1)C[P+](c1ccccc1)(c1ccccc1)CC2C.F[P-](F)(F)(F)(F)F,CI,0 | |
| CC=CC[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| O=C1C2=C(C(=O)C3=C1C1CCC3C1)C1CCC2C1,CI,0 | |
| O=C1C2C3C=CC(CC3)C2C(=O)C2C3C=CC(C3)C12,CI,0 | |
| OC1C2C3CCC(C3)C2C(O)C2C3CCC(C3)C12,CI,0 | |
| C1=CC2(C=C1)OC21CCC2(C=CC3(C2)OC3C2CCCCC2)CC1,CI,0 | |
| O=C1C2C3CCC(C3)C2C(=O)C2C3CCC(C3)C12,CI,0 | |
| CC12C=NNC1(C)C(=O)C1(C)CN=NC1(C)C2=O,CI,0 | |
| N#CC1C(=O)Nc2cccnc21,CI,0 | |
| Cc1ccc(S(=O)(=O)OCC2OC(OC3(CO)OC(COS(=O)(=O)c4ccc(C)cc4)C(O)C3O)C(O)C(O)C2O)cc1,CI,0 | |
| CCC(C(=O)C(C)C(O)C(C)CCc1ccc(C)c(O)c1C(=O)O)C1OC(CC)(C2CCC(O)(CC)C(C)O2)CC1C,CM,1 | |
| O=C1CCC(N2C(=O)C3C4CCC(O4)C3C2=O)C(=O)N1,CI,0 | |
| CC1OC2COC(C)OC2C(C2CN2)O1,CI,0 | |
| O=C1CCC(N2C(=O)C3C4CCC(CC4)C3C2=O)C(=O)N1,CI,0 | |
| CC12C(=O)N(C3CCC(=O)NC3=O)C(=O)C1C1CCC2C1,CI,0 | |
| O=C1CCC(N2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)C(=O)N1,CI,0 | |
| O=C1CCC(N2C(=O)C3C4C=CC(CC4)C3C2=O)C(=O)N1,CI,0 | |
| O=C1CCC(N2C(=O)C3C4c5ccccc5C(c5ccccc54)C3C2=O)C(=O)N1,CI,0 | |
| O=C1CCC(N2C(=O)C3CCCCC3C2=O)C(=O)N1,CI,0 | |
| O=C1CCC(N2C(=O)C3CC=CCC3C2=O)C(=O)N1,CI,0 | |
| N[Pt-2]1(N)OC(=O)C2(CCC2)C(=O)O1,CI,0 | |
| C[N+]12CCCCC1CC2,CM,1 | |
| CCOC(=O)C(c1ccsc1)C(C(=O)OCC)c1cccs1,CI,0 | |
| O=C1SC(c2ccccc2)(c2ccccc2)c2cscc21,CI,0 | |
| Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccsc2C)cc1,CI,0 | |
| O=C(c1ccccc1)c1ccsc1C(=O)c1ccccc1,CI,0 | |
| O=C1OC(c2ccccc2)(c2ccccc2)c2sccc21,CI,0 | |
| O=C1OC(c2ccccc2)(c2ccccc2)c2ccsc21,CI,0 | |
| O=C(c1ccccc1)c1ccsc1C(=O)O,CI,0 | |
| O=c1oc2ccccc2c(O)c1-c1cccc2ccccc12,CI,0 | |
| COc1cc2c(c3oc4c(c(=O)c13)CCCC4)CCC(C)(C)O2,CI,0 | |
| O=C1NC(=O)C(SSC2C(=O)NC(=O)NC2=O)C(=O)N1,CI,0 | |
| OCC1OC(n2ccc3c2ncn2cnnc32)C(O)C1O,CI,0 | |
| Cc1nc(O)nc(O)c1C=CC(=O)NC(CO)CS(=O)Cc1ccccc1,CI,0 | |
| Cc1ccc(S(=O)(=O)N2CCn3ncc(C#N)c32)cc1,CI,0 | |
| OCC1OC2NC(=S)OC2C1O,CI,0 | |
| CCOC(=O)CN1CCC2CC1c1c([nH]c3ccccc13)C2c1cc2c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C3(CC)C=CCN4CCC21C43,CI,0 | |
| Cn1c(C(O)(Cc2ccccn2)Cc2ccccn2)cc2ccccc21,CI,0 | |
| O=C(CCl)N1CCC(CC2(c3cc4ccccc4[nH]3)OCCO2)CC1,CI,0 | |
| COc1cc(OC)c2c(O)c3c(c(-c4ccc5cc6c(c(O)c5c4O)C(=O)CC(C)(O)C6)c2c1)CC(C)OC3C,CI,0 | |
| CC12CCC(OC(=O)CCC(=O)O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O,CI,0 | |
| Cc1no[n+]([O-])c1NC(=O)OCc1ccccc1,CI,0 | |
| Cc1c(NC(=O)OCc2ccccc2)no[n+]1[O-],CI,0 | |
| Cc1nonc1NC(=O)OCc1ccccc1,CI,0 | |
| COc1c(O)c2c(=O)cc3c4c5c(cc(=O)c6c(O)c(OC)c(CC(C)O)c(c(c1CC(C)O)c24)c65)OCO3,CI,0 | |
| CC1C(C)(C)P(=O)(Nc2ncn[nH]2)C1(C)C,CI,0 | |
| CC1=C(CCC(=O)O)C2=NC1=Cc1[nH]c(c(C(C)O)c1C)C=C1C(C)=C(C(C)O)C3=[N+]1[Pt-2](Cl)(Cl)n1c(c(C)c(CCC(=O)O)c1=C2)=C3,CI,0 | |
| COc1cc(OC)c(C=Cc2cc(C=Cc3c(OC)cc(OC)cc3OC)[n+](C)c3ccccc23)c(OC)c1,CI,0 | |
| O=P1(Cc2ccccc2)C(c2ccccc2)=C(O)C2CCCC21,CI,0 | |
| O=S1(=O)C=C(c2ccccc2)C2(c3ccccc3)C=NNC21,CI,0 | |
| O=C1c2ccccc2C(=O)N1N1CC1Br,CI,0 | |
| c1cc2nc(c1)CSCCCCCCCCSC2,CI,0 | |
| COc1cc2c(cc1OCc1ccccc1)C=CN(C(=O)c1ccccc1)C2C#N,CI,0 | |
| COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C,CI,0 | |
| Nc1ccc(N=Nc2ccccc2)c(N)n1,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nn5c(=O)[nH]c6ccccc6c5=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| CCC(C)C1NC(=O)C(N(C)C)Cc2cc(ccc2OC)C=CNC(=O)C(Cc2ccccc2)NC1=O,CI,0 | |
| COc1cc2c(c(Oc3ccc(C)cc3)c1)CN(C)CC2,CI,0 | |
| CC1=CC(C)N(C(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ccc(Cl)cc1,CI,0 | |
| COc1ccc2nc3cc(Cl)ccc3c(NCCC[N+](C)(C)CCCCCCCCCCCCCCCC[N+](C)(C)CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1,CI,0 | |
| CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1.O=C(O)C(=O)O,CI,0 | |
| N=c1nc2[nH]s[nH]c-2nc1=N,CI,0 | |
| O=[N+]([O-])c1ccc(-c2nc(N(CCO)CCO)c3ccccc3n2)o1,CI,0 | |
| O=[N+]([O-])c1ccc(-c2nc3c(o2)CCC3)cc1,CI,0 | |
| O=C1NN=C(C2CCCCC2)C12CCCCC2,CI,0 | |
| c1ccc2c(NCCCCCCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1,CI,0 | |
| C=C1C=CN(C(C)=O)C(OC(C)=O)C1SC(C)(C)C,CI,0 | |
| C=C(C)C1CCC2=CC(CC3(C)OC3c3cc(C(=O)OC)c(o3)C1)OC2=O,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(Cc5ccccc5)C56CC7CC(CC(C7)C5)C6)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| CC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)c2ccccc2oc1=O,CI,0 | |
| COC1=NCN=C2SC=C(N)N=C12,CI,0 | |
| CC1CC(C)CC(C)C(O)C(C#N)=CC=CCC(C2CCCC2C(=O)O)OC(=O)CC(O)C(C)C1,CI,0 | |
| CC1CC[N+]2(C)CCCC12,CI,0 | |
| COC(=O)C1CC(=O)N(C)c2sc(C)c(C)c2C1=O,CI,0 | |
| COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)OC2=O,CI,0 | |
| O=C(Nc1ccc2[nH]c(=S)sc2c1)Nc1ccccc1F,CI,0 | |
| N#CCCN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1,CI,0 | |
| O=C(Nc1ccc(F)cc1)Nc1ccc(Nc2ccccc2)cc1,CI,0 | |
| O=C(Nc1ccc(F)cc1)N(C1CCCCC1)C1CCCCC1,CI,0 | |
| Cc1c(NC(=O)Nc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C,CI,0 | |
| CCOP(OCC)SSCn1nc2ccc3ccccc3n2c1=O,CI,0 | |
| CCCCN1C(=O)C(=O)N(c2ccccc2C(F)(F)F)C1=O,CI,0 | |
| O=C(Nc1ccccc1C(F)(F)F)OCCN1CCNC1=S,CI,0 | |
| CCOc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)csc1=NC(=O)c1cccc([N+](=O)[O-])c1,CI,0 | |
| Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCCC1C,CI,0 | |
| O=C(C=Cc1ccccc1)NC(=S)NCc1ccco1,CI,0 | |
| O=C(Cc1ccc(Cl)cc1)NC(NC(=O)Cc1ccc(Cl)cc1)C(Cl)(Cl)Cl,CI,0 | |
| COc1ccc(Cl)cc1NC(=O)c1ccco1,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)C(C)C(O)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CC(C)N(C(=O)c6ccccc6)C(C)C5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| O=C(NCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1,CI,0 | |
| O=C1c2ccccc2C(=O)N1CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| Nc1nc(N)c(CCCCc2ccccc2)c(C=Cc2ccc([N+](=O)[O-])cc2)n1,CI,0 | |
| Nc1ncnc2nc(-c3ccc(C[PH](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)[nH]c12,CI,0 | |
| CC1(C)NC(=N)NC(=N)N1c1cccc(C=C(C#N)c2ccccc2)c1,CI,0 | |
| O=C(C[N+]12CCC(O)C1C(CO)CC2)c1ccc(Br)cc1,CI,0 | |
| O=C(C[N+]12CC=C(CO)C1C(O)CC2)c1ccc(Br)cc1,CI,0 | |
| CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)C(O)C4OC4C2(C)C13,CI,0 | |
| O=C(NN=Cc1cccc2ccccc12)c1cccnc1,CI,0 | |
| Clc1ccc(Cl)c(-c2csc(-c3cccnc3)n2)c1,CI,0 | |
| O=C1CSC(=S)N1c1ccc2c(c1)OCO2,CI,0 | |
| O=C(NN=Cc1ccco1)c1cccnc1,CI,0 | |
| O=C1CSC(=S)N1Cc1ccncc1,CI,0 | |
| Oc1c(Br)cc(Br)cc1C=CNC(=S)NC1CC2CC1C1C=CCC21,CI,0 | |
| OCC(Oc1ccccc1)C(O)C(O)C(CO)Oc1ccccc1,CI,0 | |
| Nc1ncc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(N)n1,CI,0 | |
| COc1ccc2c(c1)c(=O)c(C(=O)O)cn2CCCOc1ccc([N+](=O)[O-])cc1,CI,0 | |
| COC1OC2COc3ccccc3OC2C2C1N2C(N)=O,CI,0 | |
| COC1OC2COc3ccccc3OC2C2NC(=N)SC12,CM,1 | |
| COC1OC2COC(c3ccccc3)OC2C2NC(=N)N([N+](=O)[O-])C12OS(C)(=O)=O,CI,0 | |
| O=S(=O)(C=NN=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1,CI,0 | |
| COc1cccc(N2C(=O)CC(Sc3ccccc3N)C2=O)c1,CI,0 | |
| S=c1[nH]nc(Nc2ccc(Cl)cc2)s1,CI,0 | |
| Oc1nc(S)nc(SCc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)n1,CI,0 | |
| COc1ccc(-c2cc(C(=O)O)c3cc4ccccc4cc3n2)cc1Br,CI,0 | |
| CC(c1ccccc1)N1C(=O)CSC1=S,CI,0 | |
| Cc1cccc(C)c1NC(=S)NNC(=O)NNC(=S)Nc1c(C)cccc1C,CI,0 | |
| S=C1SCN(C2CCCCCCCCCCC2)CN1C1CCCCCCCCCCC1,CI,0 | |
| Nc1ccccc1SC(CC(=O)c1ccccc1)c1ccc2c(c1)OCO2,CI,0 | |
| CCC1OC(=O)C(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C)C(O)C(C)(O)CC(C)C(=O)C(C)C(O)C1C,CI,0 | |
| N#Cc1cccc(N(C(=O)c2ccccc2)c2ccccc2)n1,CI,0 | |
| CN1c2ccc(Cl)cc2C2(C(=O)NN)C(C(=O)NN)N(C3CCCCC3)C(=O)C12N,CI,0 | |
| C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(OC(C)=O)C=CC(C)(O)C(=O)C(C)CC=CC3C1O,CI,0 | |
| S=C1SCN(C(c2ccccc2)c2ccccc2)CN1C(c1ccccc1)c1ccccc1,CI,0 | |
| COc1ccc(-c2sc(N=Cc3ccc(-c4ccccc4)cc3)c(C#N)c2C)cc1OC,CI,0 | |
| COc1cccc2c1OC1(N3CCOCC3)CCCCC1C2C[N+](=O)[O-],CI,0 | |
| O=C1c2ccccc2C2NCCCN12,CI,0 | |
| C(#CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| COc1ccc(OC)c(C(Nc2ccc3cn[nH]c3c2)P(=O)(c2ccccc2)c2ccccc2)c1,CI,0 | |
| CCC(C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1,CI,0 | |
| COc1cc(C=NN=CC=Cc2ccccc2)cc(OC)c1OC,CI,0 | |
| O=C1CC(c2ccccc2)NN1c1ccccc1,CI,0 | |
| S=C(NCCc1ccccc1)N1CCC(CCCC2CCN(C(=S)NCCc3ccccc3)CC2)CC1,CI,0 | |
| Clc1ccccc1C=NCC1CCC(CN=Cc2ccccc2Cl)CC1,CI,0 | |
| COc1ccc2c(c1)CSC(c1ccccc1)C2=O,CI,0 | |
| O=c1oc2ccccc2c(O)c1C(CC(=NO)c1ccccc1)c1ccccc1,CI,0 | |
| COc1ccc(C(=O)CC(c2ccc3c(c2)OCO3)c2c(O)c3ccccc3oc2=O)cc1OC,CI,0 | |
| COc1ccc(C(CC(=O)c2ccc3c(c2)OCO3)c2c(O)c3ccccc3oc2=O)cc1OC,CI,0 | |
| CNC1=N[N+]2=CCSCC2(C)S1,CI,0 | |
| CCCCn1c(=N)[nH][nH]c1=S,CI,0 | |
| Clc1ccc(-c2cc(N3CCN(c4cc(-c5ccc(Cl)cc5)[s+]s4)CC3)s[s+]2)cc1.[O-][Cl+3]([O-])([O-])O,CM,1 | |
| FC(F)(F)c1cccc(N2NC(=S)N3C=CC=CC32)c1,CI,0 | |
| N=C1NN(c2ccc(Br)cc2)C2C=CC=CN12,CI,0 | |
| CC(=O)OC1C[N+]2(CCc3ccccc3)CCC1CC2,CI,0 | |
| Oc1cccc(C(O)CNC2CCCCC2)c1,CI,0 | |
| Cn1ccnc1Oc1ccc(Cl)cc1,CI,0 | |
| CN(C)P1(=O)N(c2ccccc2)P(=O)(N(C)C)N1c1ccccc1,CI,0 | |
| O=C1C=C(C23CC4CC(CC(C4)C2)C3)Nc2ccccc2N1,CI,0 | |
| O=C1C=C(C23CC4CC(CC(C4)C2)C3)N2CCCc3cccc(c32)N1,CI,0 | |
| O=C1Nc2cccc3c2N(CCC3)C2=C1CCC2,CI,0 | |
| CN1C(=O)CCSC1=S,CI,0 | |
| O=C(Nc1ccc(Cl)cc1)Nc1cccc2nsnc12,CI,0 | |
| ClC1c2ccccc2-c2nsnc2C1Cl,CI,0 | |
| N=C1SCCS1,CI,0 | |
| O=C(Nc1ccccc1)N1CCC2N(C(=O)Nc3ccccc3)CCC3N(C(=O)Nc4ccccc4)CCC1N23,CI,0 | |
| COc1ccc2c(c1)N(C)CCCC2=O,CI,0 | |
| O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Cc1cccnc1,CI,0 | |
| O=C1c2cccc3cccc(c23)C(=O)N1CCCCCCCCN1C(=O)c2cccc3cccc(c23)C1=O,CI,0 | |
| COc1ccc(CCN2C(=O)c3cccc4c(Br)ccc(c34)C2=O)cc1,CI,0 | |
| COc1ccc(CCN2C(=O)c3cccc4c(Sc5ccccc5[N+](=O)[O-])ccc(c34)C2=O)cc1OC,CI,0 | |
| COc1ccc(Nc2ccc3c4c(cccc24)C(=O)N(c2ccc(OC)cc2)C3=O)cc1,CI,0 | |
| O=C1C2CCCC3CCCC(C(=O)N1O)C32,CI,0 | |
| N#CC(=Cc1cc(Cl)ccc1O)C1CCC([N+](=O)[O-])CC1,CI,0 | |
| O=C1C2CCCC3CCCC(C(=O)N1NC1CCCCC1)C32,CI,0 | |
| O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc2c(c1)OCO2,CI,0 | |
| CCC12C=CCN3CCC4(c5cc(C(c6ccccn6)c6cc7ccccc7n6C)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32,CI,0 | |
| CN1CC(C)(C)C(=O)c2ccccc21,CI,0 | |
| CCOC(=O)c1cnc2oc(C=NN3CC(CN4CCOCC4)OC3=O)cc2c1O,CI,0 | |
| O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2cccc(Cl)c2)CC1,CI,0 | |
| O=C(CSc1cc(-c2ccc(Cl)cc2)s[s+]1)c1ccccc1,CI,0 | |
| CCCC[N+](CCCC)=c1cc(-c2ccc(Cl)cc2)ss1.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| O=c1c2[nH]c3cccc(Cl)c3c2cnn1-c1ccc(F)cc1,CI,0 | |
| Nc1ncnc2[nH]c(C3OC(CO)C(O)C3O)nc12,CI,0 | |
| O=[N+]([O-])c1cccc2[nH][s+]nc12,CI,0 | |
| O=C1NC2C3CC(c4ccccc43)C12,CI,0 | |
| C(=CCSc1ccccc1)CSc1ccccc1,CI,0 | |
| O=S(CC=CCS(=O)c1ccccc1)c1ccccc1,CI,0 | |
| Cc1ccc(CS(=O)C(Cl)(Cl)c2ccc(C)cc2)cc1,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC5C6CC7CC(C6)CC5C7)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| N=C(CN1CCCCC1)N1CCCCC1,CI,0 | |
| N=C(CSSCC(=N)NCC12CC3CC(CC(C3)C1)C2)NCC12CC3CC(CC(C3)C1)C2,CI,0 | |
| CCCCN1C(=O)N(c2ccc(OCC)cc2)C2N(CCCC)C1C(C)(C)C2(C)C,CI,0 | |
| O=c1[nH]c2cccnc2c(=O)n1O,CI,0 | |
| CCn1ccc(=O)nc1,CI,0 | |
| N=C(CSSCC(=N)NC1CCCCC1)NC1CCCCC1,CI,0 | |
| CSc1nc2c(n1-c1ccccc1)C(=O)C(OS(=O)(=O)c1ccccc1)C(=O)N2,CI,0 | |
| O=c1[nH]c2nc(SCc3ccccc3)n(Cc3ccccc3)c2c(=O)n1OS(=O)(=O)c1ccccc1,CI,0 | |
| Cn1nccc2c(=O)n(C)c(=O)nc1-2,CI,0 | |
| Cc1cc2cc3n(c2nn1)N=C(Cl)CC3,CI,0 | |
| COc1cc(N=CNc2cc(OC)n[n+]([O-])c2)c[n+]([O-])n1,CI,0 | |
| CSc1ncnc2c1C[PH](Cc1ccccc1)(c1ccccc1)CC2,CI,0 | |
| C[PH]1(c2ccccc2)CCC(N)=C(C#N)C1,CI,0 | |
| CC[Ge]1(CC)CCC2(CCN(CCCN(C)C)C2)CC1,CI,0 | |
| CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)OC(=O)CC32)C1,CI,0 | |
| CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)OC3(C)C1C2C,CI,0 | |
| Cl[Pd-2]1(Cl)NCC[N+]12CC2,CI,0 | |
| CCNCC.O=C1C2CCCC1C1C(=[N+]([O-])[O-])C=C([N+](=O)[O-])C2C1[N+](=O)[O-],CI,0 | |
| COC1=C(C(=O)O)P(C)(=O)CC1,CI,0 | |
| COC(=O)C12C(=CCP1(C)=O)C(c1ccccc1)=NN2c1ccccc1,CI,0 | |
| CC1=CC(C(=O)O)P(C)(=O)C1,CI,0 | |
| C1CSC(=[N+]2CC[N+](=C3SCCS3)CC2)S1,CI,0 | |
| CCCCCCCCCCCC[N+](CCCCCCCCCCCC)=C1SCCS1,CI,0 | |
| O=C1C2C3CCC(O3)C2C(=O)N1N1C(=O)C2C3CCC(O3)C2C1=O,CI,0 | |
| O=C1c2ccccc2C(=O)N1N1C(=O)C2C3CCC(O3)C2C1=O,CI,0 | |
| CCCC[Sn]1(CCCC)N(S(=O)(=O)c2ccc(C)cc2)c2ccccc2N1S(=O)(=O)c1ccc(C)cc1,CI,0 | |
| C=C1C(=O)OC2C1C(OC(=O)C(C)=CCOC(C)=O)CC1(CO1)C1C(O)C3OC3(C)C21,CI,0 | |
| CC(C)=CCCC1(C)C=Cc2c(c(C)cc3c2[nH]c2ccccc23)O1,CI,0 | |
| Cc1cc(C)c2c(c1)CC2NC(=O)Cc1ccccc1,CI,0 | |
| CC1(C)CCC2=C(C1)Nc1ccc(Cl)cc1NC2c1ccc([N+](=O)[O-])cc1,CI,0 | |
| O=C1CCCC2=C1C(c1ccncc1)Nc1ccccc1N2,CI,0 | |
| CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,CM,1 | |
| CC1(O)Cn2c(nc3nccnc32)S1,CI,0 | |
| NN=C1c2ccccc2-c2nc3c(N)nnc(N)c3nc21,CI,0 | |
| CCOC(=O)CN1CCC2CC1c1c([nH]c3ccccc13)C21OCCO1,CI,0 | |
| O=c1cc(-c2cccs2)ss1,CM,1 | |
| Cn1c2ccccc2c2nnc(SCCN3CCOCC3)nc21,CI,0 | |
| Cn1c2ccccc2c2nn3cnnc3nc21,CI,0 | |
| CCCC[Sn]1(CCCC)SCCN1S(=O)(=O)c1ccc(C)cc1,CI,0 | |
| CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O.O=S(=O)(O)O,CI,0 | |
| CCO.CCOC(=O)Nc1cc2c(c(N)n1)N=C(CN(C)c1ccccc1)CN2,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)c5ncnc6c5ncn6C5OC(CO)C(O)C5O)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| CC(=O)C(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1,CI,0 | |
| CC(=O)C1C=[N+]2CC[N+]3=CC(C(C)=O)C(C)=[O+][Ni-2]23[O+]=C1C,CI,0 | |
| CC1=[N+]2CCN3C(C)(C)CC(C)=[N+]4CCN(C(C)(C)C1)[Ni-2]324.F[B-](F)(F)F,CI,0 | |
| C1CN[Ni-4]23(N1)(NCCN2)NCCN3.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| Br[Ni-4]12(Br)(NCCN1)NCCN2,CI,0 | |
| CC1=[N+]2CCCN3CCN4CCC[N+](=C1C)[Ni-2]342.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| C1=[N+]2CC[N+]3=Cc4ccccc4O[Co-3]23([n+]2ccccc2)Oc2ccccc21,CI,0 | |
| CC1(C)CC(=O)CC(C)(C)ON1,CI,0 | |
| C=C1CCOC2(C(O)C(C)(O)CO)NC(=O)C1(O)NC2=O,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CC(Cc6ccccc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCCCCCCCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| On1ccccc1=S,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nn5cnc6c(ncn6C6OC(CO)C(O)C6O)c5=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| CN1Cc2ccccc2C=Cc2ccccc21,CI,0 | |
| CC(C)(O)CCCC1CCC2C3CCC4CCCCC4(C)C3CCC2(C)C1O,CI,0 | |
| CCOC(=O)c1c(C)c2c(n1C)CCc1c[nH]nc1-2,CI,0 | |
| CCC12C=CCN3CCC4(c5cc(C(c6ccc(OC)cc6)c6cc7ccccc7n6S(=O)(=O)c6ccccc6)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32,CI,0 | |
| COCn1c2ccccc2c2nc(-c3ccncc3)nc(-c3ccncc3)c21,CI,0 | |
| COCn1c(C(=O)c2ccc(OC)cc2)cc2ccccc21,CI,0 | |
| CC(O)(c1ccncc1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1,CI,0 | |
| O=C(c1ccccc1)C(Nc1nc2[nH]c(-c3ccccc3)c(-c3ccccc3)n2n1)c1ccccc1,CI,0 | |
| O=C1N=C2NC=NN2C1=O,CI,0 | |
| N=C1NC2=NC(=O)C(=O)N2N1,CI,0 | |
| Cc1ccc(S(=O)(=O)OC2CCN(C)CC2)cc1,CI,0 | |
| CC=C1CC2C(OC)Nc3cc(O)c(OC)cc3C(=O)N2C1,CI,0 | |
| O=C1CC23CCC12CCCC3=O,CI,0 | |
| CCC1CN(C)C2Cc3c([nH]c4ccccc34)C(=O)CC1C2C(=O)OC,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| C[N+]1(C)N=C(c2ccccc2)C=C1O,CI,0 | |
| NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O,CI,0 | |
| c1ccc(C(c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| C(=Cc1nc2ccccc2o1)c1ccc2c(c1)OCO2,CI,0 | |
| C=C1CC(c2ccc(S(=O)(=O)N3CCOCC3)cc2)OC1=O,CI,0 | |
| N#CC(=Cc1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| Cl[Sn](Cl)(C12C3=C4C5=C1[Fe]45321678C2=C1C6C7=C28)C12C3=C4C5=C1[Fe]45321678C2=C1C6C7=C28,CI,0 | |
| CC1NCCNCCNCCNC(C)c2cccc1n2,CI,0 | |
| CCOC(=O)c1cnn2c(SC)ncnc12,CI,0 | |
| O=C(C=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OCc1ccccc1,CI,0 | |
| NN=C(C=C1C(=O)Nc2ccccc21)c1ccccc1,CI,0 | |
| CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1C,CI,0 | |
| O=C1CCCN(Cc2ccccc2)C(=O)N1,CI,0 | |
| S=C1NC(c2cccs2)N2C(=S)NC(c3cccs3)N12,CI,0 | |
| O=C1NC(c2cccs2)N2C(=O)NC(c3cccs3)N12,CI,0 | |
| S=C1NC(c2ccco2)N2C(=S)NC(c3ccco3)N12,CI,0 | |
| O=C1NC(c2ccco2)N2C(=O)NC(c3ccco3)N12,CI,0 | |
| COC(=O)C1=C2c3ccccc3NC(=O)N2NC1C(=O)OC,CI,0 | |
| O=C1N(c2ccccc2)SN2C3C=CC(C4CC43)N12,CI,0 | |
| O=C1NC23CC=CCC12CCCCCC3,CI,0 | |
| O=C1NC2c3ccccc3CCC12,CI,0 | |
| O=C1NC23CC=CCC12CCC3,CI,0 | |
| O=C1NC2CC=CCC12,CI,0 | |
| CC1C(=O)C2C1CS2(=O)=O,CI,0 | |
| COC(=O)N1C=NC2C3(C)C(C)=C(C)C3(C)C21C,CI,0 | |
| CN(C)C12CCCCC1S(=O)(=O)C2,CI,0 | |
| CCC(C(=O)OC)C1CCN(C)C(=O)C12CO2,CI,0 | |
| CCOC1OC(c2ccccc2)=NS(=O)(=O)C1(C)C,CI,0 | |
| CC1C(N2CCCCC2)N(C(=O)c2ccccc2)SC12c1ccccc1-c1ccccc12,CI,0 | |
| COC1=NS(=O)(=O)C(C)C(C)(C)O1,CI,0 | |
| COC1=NS(=O)(=O)C2CCCCCCC2O1,CI,0 | |
| COC1=NS(=O)(=O)C2(O1)c1ccccc1-c1ccccc12,CI,0 | |
| CC(=O)OC1CCC2(COS(=O)(=O)c3ccc(C)cc3)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1,CI,0 | |
| COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OCc1ccccc1,CI,0 | |
| C[Sn](C)(Cl)Cl.Oc1ccccc1C=NCCN=Cc1ccccc1O,CI,0 | |
| CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)c2ccccc12,CI,0 | |
| NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)CC3N)C2O)C(N)C(O)C1OC1OC(CO)C(O)C(O)C1O.O=S(=O)(O)O,CI,0 | |
| C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23OC(=O)C=CCC(=O)CCC(C)CC=CC3C1O,CI,0 | |
| O=C(O)C1C[N+]12C=CC=CC2=O,CI,0 | |
| S=C1SC2(CCCCCC2)NC2=C1CCCCC2,CI,0 | |
| CN1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)C2c1ccccc1,CI,0 | |
| CN(C)CC1C2C=CC(C3CC23)C1CN(C)C,CI,0 | |
| COC(=O)C1ON(C(=O)c2ccccc2)C(C)C2OC12,CI,0 | |
| O=C(c1ccccc1)C1(c2ccccc2)SSC1(C(=O)c1ccccc1)c1ccccc1,CI,0 | |
| O=C(O)c1cnn2c(=S)[nH]cnc12,CI,0 | |
| CN1OC(C#N)(C#N)C(C#N)(C#N)C1c1ccccc1,CI,0 | |
| N#CC12C(=N)CCC1C1CC2C2C3C=CC(C3)C12,CI,0 | |
| NC(=O)NN=C1CCC(CC2CCCCC2)CC1,CI,0 | |
| CC(C)(C)N1OC2(CCCCC2)n2c(=O)c3ccccc3c(=O)n2C1c1ccccc1,CI,0 | |
| [O-][Cl+3]([O-])([O-])O.c1ccc(-c2csc3n4ccccc4c[n+]23)cc1,CI,0 | |
| CCC1(CCC#N)CCc2[nH]c3ccccc3c2C1=O,CI,0 | |
| c1cc(C[N+]23CN4CN(CN(C4)C2)C3)cs1,CI,0 | |
| C[N+]12CN3CN(C1)S(=O)(=O)N(C3)C2,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| CCOC(=O)Cn1c(=O)c(-c2ccccc2NC(C)=O)nc2ccccc21,CI,0 | |
| CCCCC(c1nc2c(c3c1CCCC3)CCCC2)C(O)(C(F)(F)F)C(F)(F)F,CI,0 | |
| O=C(NCCCC1C2CCC(C2)C1CNC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1,CI,0 | |
| CN(C)CCC=C1c2ccccc2CN(C)c2ccccc21,CI,0 | |
| CN1CCN(NCCN2CCCC(OC(=O)C(O)(c3ccccc3)c3ccccc3)C2)CC1,CI,0 | |
| CN(C)CCC=C1c2ccccc2CSc2ccccc21,CI,0 | |
| CCOC(=O)C1CCN(C(=O)c2ccccc2)c2scc(-c3ccccc3)c2C1=O,CI,0 | |
| CC(=O)OC1(c2ccccc2)OC(=O)C(C)(C)c2ccccc21,CI,0 | |
| C=C1CCCC(=NNC(N)=O)C12CC2,CI,0 | |
| CC1CCCC(=NNC(N)=O)C12CC2,CI,0 | |
| CCOc1ccc(C2(C)OC(=O)C3CCCCC32)c2ccccc12,CI,0 | |
| CC(C)(C)C1COP(=O)(OCc2ccccc2)OC1,CI,0 | |
| CC(C)(C)C1COP(=S)(c2ccccc2)OC1,CI,0 | |
| CC(C)(C)P1(=O)OCC(c2ccccc2)CO1.CC(C)(C)P1(=O)OCC(c2ccccc2)CO1,CI,0 | |
| CC(C)(C)C1COP(=O)(C(C)(C)C)OC1.CC(C)(C)C1COP(=O)(C(C)(C)C)OC1,CI,0 | |
| O=P(OCc1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| c1ccc(C2CN3CCSC3=N2)cc1,CI,0 | |
| O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,CI,0 | |
| CN(C)C1=NC(=O)C(c2ccccc2)O1,CI,0 | |
| Cc1cc(C)cc(OCC2CNC(=O)O2)c1,CI,0 | |
| Cc1cc(-n2c(C)ccc2C)no1,CI,0 | |
| CC(=O)C1c2ccccc2C(C(C)=O)(c2ccccc2)C1c1ccccc1,CI,0 | |
| CN(C)c1ccc(N=Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1,CI,0 | |
| CN1CCN(Cc2nc3cccc4c3c([n+]2[O-])-c2ccccc2-4)CC1,CI,0 | |
| O=C(OC1C2CCN(CC2)C1CN1CC=C(c2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1,CI,0 | |
| COc1cc(CC2C(O)C3CCN2CC3)cc(OC)c1OC,CI,0 | |
| O=C1C2CCN(CC2)C1Cn1cnc2c(Cl)ncnc21,CI,0 | |
| O=C1C2CCN(CC2)C1CNC1(c2ccccc2)CCCCC1,CI,0 | |
| OC1C2CCN(CC2)C1CNC12CC3CC(CC(C3)C1)C2,CM,1 | |
| O=C1Cc2cccc(O)c(=O)c2C(=O)O1,CI,0 | |
| COc1cc(CC2Cc3cccc(O)c(=O)c3C(=O)O2)cc(OC)c1OC,CI,0 | |
| O=C1[OH+][Cu-4]234NC1CS[S+]2CC(N3)C(=O)[OH+]4,CI,0 | |
| CCCC(Cc1ccccc1)N1CCCC1,CI,0 | |
| CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21,CI,0 | |
| FC(F)(F)c1ccc2c(c1)N(CCCNCCN1CCOCC1)c1ccccc1S2,CI,0 | |
| CC1NC(=O)COC1c1ccccc1,CI,0 | |
| O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,CI,0 | |
| NC(=O)N1c2ccccc2C=Cc2ccccc21,CI,0 | |
| Cn1nnn2c(-c3ccccc3)nnc12,CI,0 | |
| CN(C)CCCn1c2c(c3ccccc31)CCCCCC2,CI,0 | |
| CC(Cc1ccccc1)NC(=O)CCNNC(=O)c1ccncc1,CI,0 | |
| CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1,CI,0 | |
| Clc1ccc(NC2=NCCCS2)c2ccccc12,CI,0 | |
| O=C(OC1(c2ccccc2)OC(=O)c2ccccc21)c1ccccc1C(=O)c1ccccc1,CI,0 | |
| Brc1ccc(N2N=NC3CNCC32)cc1,CI,0 | |
| Brc1ccc(N2N=NC3CN(c4ccccc4)CC32)cc1,CI,0 | |
| O=C(Nc1nc(Cl)nc(Cl)n1)N1CCOCC1,CI,0 | |
| COC(=O)C12C=CC(C1)n1c(=O)n(-c3ccccc3)c(=O)n12,CI,0 | |
| Nc1nccc2c1ncn2C1OC(CO)C(O)C1O,CI,0 | |
| CC12CCC(O)CC1=CCC1C2CCC2(C)C1CC1=CC(C#N)C(=O)NC12O,CI,0 | |
| Nc1snc2ncccc12,CI,0 | |
| CN1CCC(OC(=O)C(O)(C#Cc2ccccc2)c2ccccc2)CC1,CI,0 | |
| O=C1CC2CCC(C1)N2CC1COc2ccccc2O1,CI,0 | |
| O=C1OCCN1N1C(=O)CC2(CCN(Cc3ccccc3)CC2)C1=O,CI,0 | |
| O=C1OCCN1N1C(=O)CC2(CCCCC2)C1=O,CI,0 | |
| C#CCN1CCC2=C(C1)c1c(O)cc(C(C)C(C)CCCCC)cc1OC2(C)C,CI,0 | |
| O=C(NP(=O)(N1CC1)N1CC1)c1cc(I)ccc1I,CI,0 | |
| CCC(=O)OC1(c2ccccc2)CCN(CCC(=O)c2ccccc2)CC1C,CI,0 | |
| O=C(OCCN1CCSCC1)C(O)(c1ccccc1)c1ccccc1,CI,0 | |
| CC(C)N1CNC(=O)C12CCN(CC1COc3ccccc3O1)CC2,CI,0 | |
| CCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2ccccc2)CC1,CI,0 | |
| O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(F)cc3)CC2)C(=O)N1,CI,0 | |
| CCC(=O)C(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)(c1ccccc1)c1ccccc1,CI,0 | |
| CN1C(CC(O)(c2ccccc2)c2ccccc2)CCCC1CC(O)(c1ccccc1)c1ccccc1,CI,0 | |
| CC(=O)NC(NNC(NC(C)=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| O=C1C=C(c2ccccc2)Sc2ccccc2N1,CI,0 | |
| CN1CN(c2ccccc2)C2(CCN(CCc3cc4ccccc4o3)CC2)C1=O,CI,0 | |
| COc1ccccc1C=CC(=O)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1,CI,0 | |
| N#CC1(C#N)C2C=CC(C3CCC=C32)C1(C#N)C#N,CI,0 | |
| O=c1n(-c2ccccc2)c(=O)n2n1C1C=CC=CC2C2CCC21,CI,0 | |
| O=c1[nH]c(=O)n2n1CC(Br)C(Br)C2,CI,0 | |
| O=C(O)C1OC(Oc2ccc3oc4ccccc4c(=O)c3c2)C(O)C(O)C1O,CI,0 | |
| CCOC(=O)C1(C(C)C)OC2CCCCCN2C1=O,CI,0 | |
| C(=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| CC1(C)N=C(c2ccccc2)C2(c3ccccc3)N1C2(C)C,CI,0 | |
| c1ccc(C2=c3ccccc3=NC(c3ccccc3)=c3ccccc3=N2)cc1,CI,0 | |
| O=c1oc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1,CI,0 | |
| O=C(c1ccccc1)C1C(C(=O)c2ccccc2)N1Cc1ccccc1,CI,0 | |
| O=C(c1ccccc1)C1CSS(=O)(=O)C1c1ccccc1,CM,1 | |
| O=S1(=O)C2C=CCC1C(O)CC2,CI,0 | |
| COc1cc2nc(C=Cc3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC,CI,0 | |
| c1ccc(-c2nnc3oc(-c4cccs4)nn23)cc1,CI,0 | |
| C=CCN1c2ccccc2Sc2cnccc21.O=C(O)C=CC(=O)O,CI,0 | |
| Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21,CI,0 | |
| O=P(NC12CC3CC(CC(C3)C1)C2)(N1CC1)N1CC1,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCCCCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| CC1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1,CI,0 | |
| CCOC(=O)C1=C(O)c2c(sc(C)c2-c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)CC1,CI,0 | |
| Cc1ccc(S(=O)(=O)Nc2ccccc2SSc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0 | |
| Cc1cc(O)nc2c1C(=O)c1c(C)cc(=O)n(C)c1C2=O,CI,0 | |
| C=C1C(=O)OC2C1C(OC(=O)C(=CC)COC(C)=O)CC1(CO1)C1C(OC(=O)C(=CC)CO)C=C(C)C21,CI,0 | |
| OCc1ccc2[n+](c1)CCc1c-2[nH]c2ccccc12,CI,0 | |
| c1ccc2c(CC[n+]3cccc(C4OCCO4)c3)c[nH]c2c1,CI,0 | |
| Cn1c2c(c3ccccc31)C(=O)CC2(C)C,CI,0 | |
| COc1cccc(CC2NCCc3c2[nH]c2ccccc32)c1,CI,0 | |
| COc1ccc2c(c1)CC1c3[nH]c4ccccc4c3CCN1C2,CI,0 | |
| COC(=O)C(CC1CC(=O)N(CCc2c[nH]c3ccccc23)C1)C(=O)OC,CI,0 | |
| O=C(O)C1CC2(CCC1c1ccccc1)SCCS2,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)c5ccc(N)cc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)C(CO)(c5ccccc5)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)CC(=O)NN=Cc5c6c(O)c7c(O)c(C)c8c(c7c5O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N6)O8)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CM,1 | |
| CC(C)N1CSC(=S)N(Cc2ccccc2)C1,CI,0 | |
| C(=Cc1cnc2ccccc2n1)c1ccc2c(c1)OCO2,CI,0 | |
| Cc1c(C#N)c2n(c1C)CCCC(=O)N2,CI,0 | |
| Cc1c(C#N)c2nc(C(=O)c3ccc(Br)cc3)cc(-c3ccc(Br)cc3)n2c1C,CI,0 | |
| CCOC(=O)CCCN(c1[nH]c(C)c(C)c1C#N)S(=O)(=O)c1ccc(C)cc1,CI,0 | |
| CCOC(=O)C1=C(O)c2c(sc(C)c2C)N(S(=O)(=O)c2ccc(C)cc2)CC1,CI,0 | |
| CCOC(=O)c1c(NC(=O)CCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)sc(C)c1C,CI,0 | |
| COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=NNC(=O)c1ccccc1)CC3OC1CC(N)C(O)C(C)O1,CI,0 | |
| O=[N+]([O-])c1ccc(C2Nc3cc(Cl)c(Cl)cc3S(=O)(=O)N2O)cc1,CI,0 | |
| Oc1ccc2ccccc2c1C1=NN2C(=S)NNC2=NN1,CI,0 | |
| CCCC1=Nn2c(n[nH]c2=S)NN1,CI,0 | |
| Cn1c2c(c(=O)n(C)c1=O)C(C(=O)O)CC(=O)N2,CI,0 | |
| COC1(OC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C1C(=O)C=CC(=O)C12,CI,0 | |
| CC1CCC2CC(=O)NC(=O)CC12,CI,0 | |
| Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1,CI,0 | |
| CCCCCCCC(=O)OC1C2C(CC1(C)C)C(=O)C13OC1C(=O)C1(CO1)C23C,CI,0 | |
| COc1ccc(C2CCc3cc4c(cc3C2=NOC(C)=O)OCO4)cc1OC,CI,0 | |
| O=S1(=O)C2CCCCC2(N2CCOCC2)C1c1ccccc1,CI,0 | |
| N#CC(C#N)=C1CCN2CCCc3cccc1c32,CI,0 | |
| O=C(OCCNC(=O)N1CCOCC1)OCCNC(=O)N1CCOCC1,CI,0 | |
| Cc1cccc(NC(=O)NCCOC(=O)OCCNC(=O)Nc2cccc(C)c2C)c1C,CI,0 | |
| CC1(C)C(N2CCOCC2)CS1(=O)=O,CI,0 | |
| Cc1ccc(SC=CC(=O)Nc2ccccc2)cc1,CI,0 | |
| COC(=O)C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CNC(=O)c1ccccc1,CI,0 | |
| FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(C3CC3)CC1)c1ccccc1S2,CI,0 | |
| O=S1CC(c2ccccc2)=C(c2ccccc2)CS1,CI,0 | |
| c1ccc(C2=C(c3ccccc3)CSSC2)cc1,CI,0 | |
| Cc1cc(O)c2c(c1O)C(=O)C13C(=C(O)C4C(O)C1C1C(O)C3C(O)=C3C(=O)c5c(O)cc(C)c(O)c5C(=O)C341)C2=O,CI,0 | |
| CCC1OC2CS(=O)(=O)CC2O1,CI,0 | |
| CC(=O)OC1C=CS(=O)(=O)C1,CI,0 | |
| COc1cc2c(cc1OC)C1CC(=O)C3=C(CCCC3)N1CC2,CI,0 | |
| OC1=C2CCCCCC2=[N+]2CCCCC2C1,CI,0 | |
| CC1(C)COC(C2Cc3ccccc3C(O)(c3ccccc3)C2)=N1,CI,0 | |
| CC1(C)COC(c2ccc(CC(O)c3ccccc3)cc2)=N1,CI,0 | |
| CC1(C)COC(Cc2ccccc2)=N1,CI,0 | |
| CC1CC(C)(C)N2CCC(C(=O)N3Cc4cc5ccccc5nc4C3)C2O1,CI,0 | |
| CCC1C(=O)OCc2ccccc21,CI,0 | |
| CCC(Cc1ccccc1)C1=NC(C)(C)CC(C)O1,CI,0 | |
| CC1CC(C)(C)N=C(C(C)CC2CCCCC2)O1,CI,0 | |
| O=C1CCC2=C(CCCC2=O)N1,CI,0 | |
| Cc1ncc2c[n+]([O-])ccn12,CI,0 | |
| C1CCC2(CC1)SSC1(CCCCC1)S2,CI,0 | |
| Cc1nc2[nH][nH]c(=N)c2nc1C,CI,0 | |
| COC(=O)NC1=Nc2ccccc2-c2ccccc2N1,CI,0 | |
| O=S1(=O)N2CN3CN(C2)CN1C3,CI,0 | |
| Cc1nnc(NC2=NCCO2)s1,CI,0 | |
| Cc1c(C#N)c2n(c1C)CCN2,CI,0 | |
| CC(=O)OC1=NC(C)c2c1cc(OC(C)=O)nc2O,CI,0 | |
| CC1=C(O)C(=O)C(c2c(C)cc(C)c(Br)c2C)=C(O)C1=O,CI,0 | |
| [O-][n+]1onc2ncccc21,CI,0 | |
| O=C(N=C1OC2C(OC(=O)c3ccccc3)C(COC(=O)c3ccccc3)OC2N1C(=O)c1ccccc1)c1ccccc1,CI,0 | |
| c1ccc(P2CCc3[nH]c4ccccc4c3C2)cc1,CI,0 | |
| C(=Cc1ccc2ccccc2n1)c1ccc2c(c1)OCO2,CI,0 | |
| O=c1ssc2ccccc12,CI,0 | |
| CC(=O)N1C(=O)C2(Nc3cccnc3N2)c2ccccc21,CI,0 | |
| Cc1cscc(C)c1=S,CI,0 | |
| COc1ccc2c3c1OC1C4(CCC5C(C2)N(CC2CC2)CCC351)OCCO4,CI,0 | |
| COc1ccc2c(c1O)C13CCN(C)C(C2)C1CCC1(C3)OCCO1,CI,0 | |
| CCCCNC(C)(C)C(SSSC(c1ccco1)C(C)(C)NCCCC)c1ccco1,CI,0 | |
| C1CN2CCC1C1(C2)SSC2(CN3CCC2CC3)S1.Cl,CI,0 | |
| O=S(OCC1COS(=O)O1)OCC1COS(=O)O1,CI,0 | |
| CCCCCCCC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=O,CI,0 | |
| COS(=O)(=O)OC1(SC)C=C(c2ccccc2)SS1,CI,0 | |
| COc1ccc(C(CC(=O)c2ccc3c(c2)OCO3)C(=O)O)cc1OC,CI,0 | |
| NCC1OC(OC2C(N)CC(N)C(O)C2O)C(NC(=O)c2ccccc2)C(O)C1O,CI,0 | |
| c1ccc(C2=C(c3ccccc3)C23SCCS3)cc1,CI,0 | |
| Oc1nc2nc(O)nc3nc(O)nc(n1)-n-2-3,CI,0 | |
| COc1ccc(CCN2COc3ccc4ccc(=O)oc4c3C2)cc1OC,CI,0 | |
| O=C1CCC23C=CC(=O)NCCCCNCCCNC(=O)C=Cc4ccc(c2c4)OC3C1,CI,0 | |
| COC(=O)C12C3=C(C(=NO)C=CC3=NO)C(c3ccccc31)c1ccccc12,CI,0 | |
| Oc1c[n+](C23CCC(c4ccccc42)c2ccccc23)no1,CI,0 | |
| C=C1C(=O)OC2C=C(C)CC3C=C(CCC=C(C)CCC12)C(=O)O3,CI,0 | |
| CN1C(=O)NC2ON=C(c3ccccc3)C2C1=O,CI,0 | |
| C=C1C(=O)OC2C=C(C)C3OC3C=C(C(=O)OC)C(O)C(OC(=O)C3(C)OC3C)C12,CI,0 | |
| c1ccc(CCC2=Nc3ccccc3CO2)cc1,CI,0 | |
| N#CC1CC(c2cccs2)Nc2ccccc2N1,CI,0 | |
| S=C1NC(C=Cc2ccccc2)Nc2ccccc21,CI,0 | |
| S=C1NC(c2ccccc2)Nc2ccccc21,CI,0 | |
| C(=Cc1ccccc1)C=Nc1ccc(CCc2ccc(N=CC=Cc3ccccc3)cc2)cc1,CI,0 | |
| N#CC1CC(c2ccccc2)Nc2cc(Cl)ccc2N1,CI,0 | |
| Clc1ccccc1C(=Nc1ccccc1)C(=Nc1ccccc1)c1ccccc1Cl,CI,0 | |
| Oc1nc(CCc2ccccc2)nc2ccccc12,CI,0 | |
| Cc1noc2nccnc12,CI,0 | |
| COc1ccc(NC2=CC(C)(C(=O)O)OC2=O)cc1,CI,0 | |
| C1C2CC3C1C1CN3C21,CI,0 | |
| N=C1SCc2c1sc1ccccc21,CI,0 | |
| O=S1(=O)OC2(CCCCC2)c2ccccc21,CI,0 | |
| N#CC(=Cc1ccccc1Cc1ccccn1)c1ccccc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,CI,0 | |
| CCCCNC(C)(C)C(SSSC(c1cccs1)C(C)(C)NCCCC)c1cccs1,CI,0 | |
| CC1=C[PH](CCc2ccccc2)(CCc2ccccc2)C=C1C,CI,0 | |
| C[PH]1(CCc2ccc(Cl)cc2)CC=CC1,CI,0 | |
| O=P1(CCc2ccc(Cl)cc2)CC(Br)C(Br)C1,CI,0 | |
| O=S1(=O)CC(c2ccccc2)=NN=C(c2ccccc2)C1,CI,0 | |
| CCOC(=O)CN1CCC(C2(c3cc4ccccc4[nH]3)OCCO2)CC1,CI,0 | |
| O=C(O)CC1CCN(C(=O)c2ccccc2)C(Cc2c[nH]c3ccccc23)C1O,CI,0 | |
| O=C1C=C2CCN(C(=O)c3ccccc3)CC2O1,CI,0 | |
| O=C(CC1CCN(C(=O)c2ccccc2)C(Cc2c[nH]c3ccccc23)C1O)N1CCCC1,CI,0 | |
| O=c1c2ccccc2c2c3c1cccc3c1cccc3c(=O)c4ccccc4c2c31,CI,0 | |
| CN1CCCC1CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cc12,CI,0 | |
| O=C(Sc1ccccc1)C1OC12CCCCC2,CI,0 | |
| COC(=O)C1=CCCCCCC(N2CCOCC2)=C1C(=O)OC,CI,0 | |
| CC(C)(C)OC(=O)C(C1NC2C(=O)OCC2(CO)S1)N1C(=O)c2ccccc2C1=O,CI,0 | |
| O=C1OCC2(CO)SC(c3ccccc3)NC12,CI,0 | |
| CC12CCC3C4CCC(=O)C(CCC(=O)O)=C4CCC3(CO1)C2,CI,0 | |
| O=C1CCCCC1=CC=Cc1ccccc1,CI,0 | |
| CCOC(=O)C(CC1OCCO1)C1=NC(C)(C)CC(C)O1,CI,0 | |
| O=S1(=O)CC2OC(c3ccccc3)OC2C1,CI,0 | |
| O=C1CC2c3[nH]c4ccccc4c3CCN2C2=C1CCCC2,CI,0 | |
| CC1(C)CCSC(C=Cc2ccccc2)=N1,CI,0 | |
| CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.CC1C[N+](C)=C2CCCCC2=C1O,CI,0 | |
| O=CC1(C(O)C2SCCCS2)SCCCS1,CI,0 | |
| CC1CC(C)(C)NC(=CC(=O)N2Cc3cc4ccccc4nc3C2)O1,CI,0 | |
| Cc1c(N)nc(C2CC(=O)N2CC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCNCC(C)O)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1,CI,0 | |
| CC1OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)CC(=O)CC(O)C(C(=O)O)C(O)CC(OC2OC(C)C(O)C(N)C2O)C=CC=CC=CC=CCCC=CC=CC(C)(O)C(O)C1C,CI,0 | |
| O=[N+]([O-])c1ccc2nc3ccscc-3c2c1,CI,0 | |
| [O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)c[s+]c1c3ccccc3[nH]c21,CI,0 | |
| [O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)[nH]c1cc[s+]cc12,CI,0 | |
| COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1,CI,0 | |
| CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CC(C=O)=C4C=C(OCCCl)CCC4(C)C3(F)C(O)CC12C,CI,0 | |
| Cl[Ni-2]1(Cl)NCC[N+]12CC2,CI,0 | |
| COC(=O)C1C2C(=O)NC(=O)C2C(c2ccc(-c3ccccc3)cc2)N1C1CCCCC1,CI,0 | |
| O=C(O)c1c2c(nc3ccccc13)-c1ccccc1C1(CCCC1)C2,CI,0 | |
| O=C1C2CCN(CC2)C1CN1CCOCC1,CI,0 | |
| c1ccc2c(c1)c1ccccc1c1nc3c(nc21)CCCC3,CI,0 | |
| F[B-](F)(F)F.[H][H-][B-]1([H-][H])[n+]2ccccc2-c2cccc[n+]21,CI,0 | |
| c1cnc2c(OB(C3CCCCC3)C3CCCCC3)cccc2c1,CI,0 | |
| CCOC(=O)c1cc(-c2ccc3ccccc3n2)c(O)c2cc3ccccc3nc12,CI,0 | |
| c1ccc([B-]2(c3ccccc3)[n+]3ccccc3-c3cccc[n+]32)cc1,CI,0 | |
| [BH3-][N+]1(C)CC[N+]([BH3-])(C)CC1,CI,0 | |
| CN1CC2(c3ccccc3)CN(C)CC(c3ccccc3)(C1)C2=O,CI,0 | |
| c1cnc(NCCSSCCNc2ncccn2)nc1,CI,0 | |
| c1ccc2nc(NCCSSCCNc3cnc4ccccc4n3)cnc2c1,CI,0 | |
| C1CN(CCSSCCN2CCOCC2)CCO1,CI,0 | |
| CN1CCN(CCSSCCN2CCN(C)CC2)CC1,CI,0 | |
| O=c1c2ccccc2c2nccc3c4ccccc4n1c32,CI,0 | |
| O=C1OC(=O)c2c(O)cc(=O)c(O)cc21,CI,0 | |
| O=c1c2c([nH]c3ccccc13)CSC2,CI,0 | |
| COC(=O)c1cc2c(s1)C(=O)c1ccccc1-2,CI,0 | |
| O=[N+]([O-])c1ccc(NN=CC(c2ccccc2)c2ccsc2)c([N+](=O)[O-])c1,CI,0 | |
| CC(=O)Oc1c2ccsc2cc2ccsc12,CI,0 | |
| O=C1c2cscc2C(=O)c2sccc21,CI,0 | |
| O=C1c2ccsc2C(=O)c2sccc21,CI,0 | |
| O=C1c2sccc2-c2cccc3cccc1c23,CI,0 | |
| O=C1c2ccsc2C(=O)c2ccsc21,CI,0 | |
| O=C1c2ccccc2C(=O)c2sccc21,CI,0 | |
| O=C1c2ccccc2C(=O)c2cscc21,CI,0 | |
| O=S(CC(O)c1ccccc1)c1ccccc1,CI,0 | |
| COC(=O)C(c1ccccc1)C(SCc1ccccc1)c1ccccc1,CI,0 | |
| COC(=O)C1(C)CCCC2(C)C1CCC13OCC(CC21)C1(C(C)C)OC31,CI,0 | |
| c1ccc2c(c1)NC1CCN2C1,CI,0 | |
| O=C1C=C(N2CCOCC2)C(=O)c2nccnc21,CI,0 | |
| N=c1c2ccccc2nnn1Cc1ccccc1,CI,0 | |
| COc1cc2c(cc1OC)C(=O)Cc1ccc(OC)c(OC)c1CN(C)CC2,CI,0 | |
| CCC1(Br)OC1=O,CI,0 | |
| C1CCC(NC2CCCCC2)CC1.O=C(O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N=Cc1cccs1,CI,0 | |
| COC(=O)c1c(C(=O)OC)c2c(-c3ccccc3)cc3cccc1n32,CI,0 | |
| O=C1CSCC(=O)O1,CI,0 | |
| C[N+]12CC3C(O)CC1CCC32,CI,0 | |
| C1CC[N+]23CCCC(C2)C3C1.Cc1ccc(S(=O)(=O)O)cc1,CI,0 | |
| C(=Cc1ccccc1)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| CC1(C)OC2CC3CC(OC3=O)C2O1,CI,0 | |
| CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21,CI,0 | |
| COc1ccc(NC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1,CI,0 | |
| COc1cc2c(cc1OC)C(OC)N(C)c1c-2ccc2cc3c(cc12)OCO3,CI,0 | |
| O=C1CCC(c2ccccc2)(C2(c3ccccc3)CCC(=O)O2)O1,CI,0 | |
| COC1=CC(=O)OC1=C(OC)C1OC1c1ccccc1,CI,0 | |
| O=c1cnn(C2OC(CO)C(O)C2O)c(=S)[nH]1,CI,0 | |
| COC(=O)C1(C)CCCC2(C)C1CCC1(O)C(O)C(C(C)C)=CCC21,CI,0 | |
| COC(=O)C1(C)CCCC2(C)C1CCC13OOC(CC21)C1(C(C)C)OC31,CI,0 | |
| COc1ccc(Oc2cc(CC3c4cc(OC)c(OC)cc4CCN3C)c([N+](=O)[O-])cc2OC)cc1OC,CI,0 | |
| ON=C1CCCCC1=CC=Cc1ccccc1,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC5CCCCCCCCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| O=C(c1ccccc1)C(O)(CC(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| O=C(OCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| CC(=O)C(O)N1C(=O)C=CC1=O,CI,0 | |
| C=C1C(=O)OCC2C(C(=O)O)=CC3C(C)C(C)=CC123,CI,0 | |
| O=C(Nc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1)C(Sc1ncnc2[nH]cnc12)Sc1ncnc2[nH]cnc12,CI,0 | |
| O=C1CC2CCCC(C1)S2=O,CI,0 | |
| O=c1[nH]c2ccccc2c(=O)c2ccccc12,CI,0 | |
| O=C(O)CCNc1ccc2c(c1)B(O)OC2,CI,0 | |
| Cc1nn(C)c2c1NC(=O)CS2,CI,0 | |
| Cc1cc2c(c(=O)n1C)COC2=O,CI,0 | |
| CN1C=CC(C(C(N)=O)c2ccccc2)c2ccccc21,CI,0 | |
| CC1(C)C=CC(C)(C)c2c(NS(=O)(=O)c3ccccc3)ccc(NS(=O)(=O)c3ccccc3)c21,CI,0 | |
| COc1c(NS(=O)(=O)c2ccccc2)cc2c3c(cccc13)C(=C1Cc3cccc4c(OC)c(NS(=O)(=O)c5ccccc5)cc1c34)C2,CI,0 | |
| CC(=O)OC1(C)C=CC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc21,CI,0 | |
| CC(=O)c1ccc2c3c(ccc([N+](=O)[O-])c13)C(=O)OC2=O,CI,0 | |
| CC(=O)OC1(C)C=Cc2ccccc2C1=NS(=O)(=O)c1ccccc1,CI,0 | |
| O=S(=O)(C1CCCCC1)N1N=NC2CCCCC21,CI,0 | |
| O=C1C(=Cc2ccc([N+](=O)[O-])cc2)CS(=O)(=O)CC1=Cc1ccc([N+](=O)[O-])cc1,CI,0 | |
| C[N+]1(Cc2ccccc2)CC12CCCCC2.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| CC1(Cc2ccccc2)C[N+]12CCCCC2.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| COc1cccc(C2=CCCCCC2)c1OC,CI,0 | |
| Nc1nc(O)c2c(n1)NCC1CCN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CN21,CI,0 | |
| CC(=O)OC1C(=O)C(O)C(C)OC1OC1CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC2(C)C1C(C)(O)C(=O)C=CC(C)(C)O,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(c5ccccc5)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| CC(C)c1nc(Nc2ccccc2)n(P(=O)(N(C)C)N(C)C)n1,CI,0 | |
| CCOP(=O)(N=C1C2CCC(C2)C1C)OCC.CCOP(=O)(N=C1C2CCC(C2)C1C)OCC,CI,0 | |
| c1ccc2c3c(ccc2c1)CN1CCCCC1C3,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNc5ncccn5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCCN5CCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCCCc5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOC(c5ccccc5)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCC(N6CCCCC6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nc5ccc6ccccc6c5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCOCC5C)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCCC5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5C(C)CCC5C)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)Cc5ccccc5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCCC5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCC5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(Cc5ccccc5)Cc5ccccc5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| CCOC(=O)N1CCN(C(=O)COc2cc3c(O)c4c(O)c(C)c5c(c24)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N3)O5)CC1,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CC(C)(C)C5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCC(O)(Cc6ccccc6)CC5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,CI,0 | |
| Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2,CI,0 | |
| Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2,CI,0 | |
| NC(=O)c1[nH]nc(C2OC(CO)C(O)C2O)c1O,CI,0 | |
| COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(O)C(OC3CC(C)(O)C(O)C(C)O3)C(C)O2)C(O)C(C)O1,CI,0 | |
| CCOC(=O)c1cnc2cc(OCC3CC3)c(OCC3CC3)cc2c1O,CI,0 | |
| CN(C)Cc1cc(C23CC4CC(CC(C4)C2)C3)cc(-c2ccccc2)c1O,CI,0 | |
| S=C(NCCSSCCNC(=S)Nc1ccccc1)Nc1ccccc1,CI,0 | |
| O=C(O)c1ccccc1C(=O)NC(Cc1c[nH]cn1)C(=O)O,CI,0 | |
| N#CC1C(=O)NC(=O)C(C#N)C12CCCc1sccc12,CI,0 | |
| CN1C(=O)C=C(C=Nc2ccc(-c3ccccc3)cc2)C2CCCCC21,CI,0 | |
| Clc1nc(Cl)nc(-c2cccn2-c2ccccc2)n1,CI,0 | |
| Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCN3C(=O)c4ccccc4C3=O)cc2)n1,CI,0 | |
| Cc1cc(CSc2ssc(=S)c2-c2ccccc2)c(CSc2ssc(=S)c2-c2ccccc2)cc1C,CI,0 | |
| O=C1C(=O)N(CNC(c2ccccc2)c2ccccc2)c2ccccc21,CM,1 | |
| O=C(Nn1c(=O)c(=O)oc2ccccc21)C(F)(F)F,CI,0 | |
| c1ccc2c(c1)C1=NCCN1c1ccccc1-2,CI,0 | |
| Cc1nc2ccccc2cc1C[N+]12CN3CN(CN(C3)C1)C2,CI,0 | |
| O=S1(=O)CC2(N3CCOCC3)CCCC21,CI,0 | |
| O=S1(=O)c2ccc(cc2)N=CC=Nc2ccc1cc2,CI,0 | |
| CN(CCSSCCN(C)N=Cc1ccccc1)N=Cc1ccccc1,CI,0 | |
| c1ccc([PH](Cc2ccc3c(c2)OCO3)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| O=C1Nc2ccccc2Oc2ccccc21,CM,1 | |
| c1ccc([PH](Cc2nc3ccccc3[nH]2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| O=c1ccc2c(ccc3ncccc32)o1,CI,0 | |
| Cc1nnnn1C12CC3CC(CC(C3)C1)C2,CI,0 | |
| O=S1(=O)CC(c2ccccc2)(c2ccccc2)Nc2ccccc21,CI,0 | |
| Cc1ccccc1N1OS(=O)(=O)CC1(C#N)c1ccccc1,CI,0 | |
| O=S1(=O)CC2(N3CCCCC3)CCCCC21,CI,0 | |
| COC12CCCC1S(=O)(=O)C2,CI,0 | |
| O=C(O)C1=CCCc2ccc3ccccc3c21,CI,0 | |
| O=S(=O)(Cc1ccccc1)CS(=O)(=O)Cc1ccccc1,CI,0 | |
| CCOC(=O)n1[nH][nH]c2c(c(=O)n(C)c(=O)n2C)n1C(=O)OCC,CI,0 | |
| Cc1cc(NS(=O)(=O)c2ccc(N)cc2)sn1,CI,0 | |
| CN1c2c(O)nc(N)nc2NCC1CCNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1,CI,0 | |
| N=C1NCC(c2ccc(Cl)cc2)O1,CI,0 | |
| O=C(C(=C1SSC(=C(C(=O)c2ccccc2)c2ccccc2)S1)c1ccccc1)c1ccccc1,CI,0 | |
| CC1(C)OC(=O)C2C3C=CC(C2C(=O)O)C31,CI,0 | |
| O=C(O)C(SSC(C(=O)O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| CC(=O)OC12CCCC(=O)C1C1CCC=CCCC12,CI,0 | |
| Cc1ccc(C(=O)C=C2SSC(=CC(=O)c3ccc(C)cc3)S2)cc1,CI,0 | |
| Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)n1,CI,0 | |
| N=C1NC2OC(CO)C(O)C2O1,CI,0 | |
| CCS(=O)(=O)O.CN(C)C(=O)c1cccc(COc2ccc(N3C(=N)NC(=N)NC3(C)C)cc2Cl)c1,CI,0 | |
| NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O,CI,0 | |
| O=c1c2ccccc2n2nnc3cccc1c32,CI,0 | |
| CCC[n+]1nc(Nc2ccccc2[N+](=O)[O-])c2ccccc2n1,CI,0 | |
| CS1(=O)=CC(=O)CC(c2ccccc2)C1,CI,0 | |
| CC1C(=O)CC2C3(C)CCC2(C(C)C(=O)O)C(=O)C13,CI,0 | |
| O=C1NCCCCCCCCNC(=O)c2cccc1c2,CI,0 | |
| O=C1N=NC(=O)c2ccccc21,CI,0 | |
| c1cc2ccc3ccc[n+]4c3c2[n+](c1)CCC4,CI,0 | |
| CC(=O)OCC1C(=O)OCC1C(=O)N1Cc2cc3ccccc3nc2C1,CI,0 | |
| CCOC(=O)C1(C(=O)OCC)COC(=O)C1CN1Cc2cc3ccccc3nc2C1,CI,0 | |
| NC(=O)C(NN=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1,CI,0 | |
| NC(=O)C(NN=C(C(=O)c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| NC(=O)C(NN=C(c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| c1ccc(C2(c3ccccc3)OCCO2)cc1,CI,0 | |
| c1ccc(-c2nc3c(N4CCOCC4)ncnc3o2)cc1,CI,0 | |
| CC1OC2CC(=O)OC2C2=C1C(=O)c1c(O)cccc1C2=O,CI,0 | |
| CN1C2c3ccccc3C3C4c5ccccc5C(C31)C(C2[N+](=O)[O-])N4C,CI,0 | |
| CSc1s[s+]c(SC)c1-c1ccccc1,CM,1 | |
| O=C1NCCN1c1ncc([N+](=O)[O-])s1,CI,0 | |
| CC(=O)CC(OC(C)=O)C1=CCC2C(CC1C)OC(=O)C2C,CI,0 | |
| COc1cc(C(=O)c2cocc2C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC,CI,0 | |
| O=C1C(=O)C(Br)(c2ccccc2)C(=O)C1c1ccccc1,CI,0 | |
| CC1(Br)C(=O)C(O)=C(Br)C1=O,CI,0 | |
| c1ccc2c(c1)CCN(C1=NCCO1)C2,CI,0 | |
| O=c1ssc(Cl)c1Cl,CI,0 | |
| O=C(Nc1cccc2ccccc12)N1CCCC(Br)C1,CI,0 | |
| C1COC(N2CC3CCC(CC3)C2)=N1,CI,0 | |
| O=C1NC(C2CCC(Cl)CN2)C(=O)NC1C1CCC(Cl)CN1,CI,0 | |
| C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1,CI,0 | |
| O=C1C(c2ccccc2)CS(=O)(=O)CC1c1ccccc1,CI,0 | |
| CN1C2CCCC1CC(=O)NC2,CI,0 | |
| O=c1c(-c2ccccc2)c(S)sc(S)c1-c1ccccc1,CI,0 | |
| C[N+](C)(C)C1C=CCC2=C1S(=O)(=O)C2,CI,0 | |
| CCN(CC)C1C=CCC2C1S(=O)(=O)C2(C)C,CI,0 | |
| O=S1(=O)C(c2ccccc2)C(N2CCCCC2)C1C1CC2c3ccccc3C1c1ccccc12,CI,0 | |
| CC1=CC(C)C(=O)N(CC(C)N2CCCC2)C(C)=C1,CI,0 | |
| CC1=CC(C)C(=O)N(CCN2CCOCC2)C(C)=C1,CI,0 | |
| O=S(=O)(c1ccccc1)N1CC2CC(Br)C(Br)CC21,CI,0 | |
| O=C1C2C3C=CC(C3)C2S(=O)(=O)C2C3C=CC(C3)C12,CI,0 | |
| COC1OC(CO)C2NP(=O)(N(CCCl)CCCl)OC12,CI,0 | |
| N#CC1CC12c1ccccc1C(=O)c1ccccc12,CI,0 | |
| Cc1cc(O)c2c(c1)OC1(C)CCC3C(C)(C)CCCC34COC2C14,CI,0 | |
| CC1=CC2=CC(C)CC23OC(=C(C)C3=O)CC(C)(C)C=CC1=O,CI,0 | |
| COc1cc2c(cc1OC)C1CC3(CC4c5cc(OC)c(OC)cc5CCN4CC3CO)C(CO)CN1CC2,CI,0 | |
| COc1cc2c(cc1OC)C(CC1=C(c3ccccc3)CN3CCc4cc(OC)c(OC)cc4C3C1)NCC2,CI,0 | |
| CCOC(=O)c1cn2c3c(cccc3c1=O)CC2,CI,0 | |
| CC1(C(=O)O)CC(C(=O)O)=Nn2c3ccccc3c3cccc1c32,CI,0 | |
| CC(=O)Oc1ccc2c(c1)Cc1cc(N=[N+]([O-])c3ccc4c(c3)Cc3cc(OC(C)=O)ccc3-4)ccc1-2,CI,0 | |
| CC1(CO)CCCCC1=NNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,CM,1 | |
| N#CC1(OC2CCCCO2)Cc2ccccc2C1,CI,0 | |
| Cc1ccc(S(=O)(=O)OCC2CC=CCC2COS(=O)(=O)c2ccc(C)cc2)cc1,CI,0 | |
| O=C(O)C1C(C(=O)O)C2C=CC1C21CCCC1,CI,0 | |
| CC1C=C2c3ccccc3CC2C2C(=O)OC(=O)C12,CI,0 | |
| O=S(=O)(SCCCCSS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)SC(SCC(=O)c2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)cc1,CI,0 | |
| O=C1NC(=S)SC1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,CI,0 | |
| Cc1nnc(NS(=O)(=O)c2ccc(N=NC3SC(=S)NC3=O)cc2)s1,CI,0 | |
| CC(=O)C1(N=Nc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)CCOC1=O,CI,0 | |
| CC(=O)C1(N=Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)CCOC1=O,CI,0 | |
| CC(=O)C1(N=Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)CCOC1=O,CI,0 | |
| CC(=O)C1(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)CCOC1=O,CI,0 | |
| C1CCN2CC34CC(CC5CCCN(C6CCCC3N6)C54)C2C1,CI,0 | |
| CN1C2CCC1CC1(C2)SCCS1,CI,0 | |
| c1ccc(N2N=NC3CCCC32N2CCCCC2)cc1,CI,0 | |
| c1ccc(CC(c2ccccc2)N2CCOCC2)cc1,CI,0 | |
| c1ccc(C2N=NN(c3ccccc3)C2N2CCCCC2)cc1,CI,0 | |
| CN(c1ccccc1)C(c1ccccc1)C(O)c1ccccc1,CI,0 | |
| Cc1cc(C)c(C(=O)OC(c2ccccc2)C(c2ccccc2)N2CCOCC2)c(C)c1,CI,0 | |
| c1noc2c1CCCC2.c1onc2c1CCCC2,CI,0 | |
| c1ccc(-c2onc3c2CCCC3)cc1,CI,0 | |
| O=S1(=O)CCCS(=O)(=O)C1CC1S(=O)(=O)CCCS1(=O)=O,CI,0 | |
| CN1CCC2(CC1)N=C1CCN(C)CC1S2,CI,0 | |
| O=Nc1ccc(C=C2C(=O)C=CC2=O)cc1,CI,0 | |
| OC(C1CO1)C(O)C1CO1,CI,0 | |
| c1ccc([PH](Cc2cccc3c2Cc2ccccc2-3)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| O=C1OC2C=CC1C1C(=O)OC(=O)C21,CI,0 | |
| O=C1C=C(c2ccccc2)C2(c3ccccc3)C1C1C(c3ccccc3)=C(c3ccccc3)C2C12SCCS2,CI,0 | |
| CN(C)c1ccc(N=C2C=CC(=O)c3ccccc32)cc1,CI,0 | |
| CC(=O)N1C(=O)C(C)(C2=CC(=O)c3ccccc3C2=O)c2ccc(Br)cc21,CI,0 | |
| Cc1cccc2nc3nc(Cl)c(Cl)nc3n12,CI,0 | |
| COc1cc2c(cc1O)CN1Cc3c(ccc(OC)c3O)C2C1,CI,0 | |
| COc1cc2c(cc1Oc1c(O)c(OC)cc3c1C(C)N(C)CC3)C(C)N(C)CC2,CI,0 | |
| O=C1C=C(O)C(=NO)c2ccccc21,CI,0 | |
| O=C1CC2OCC=C3CN4CCC5(C(=O)O)C(N1)C2C3CC45,CI,0 | |
| NC1C2C(CC(=O)O)OCC=C3CN4CCC1(C(=O)C(=O)O)C4CC32,CI,0 | |
| CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2c1[nH]c1ccc(O)cc21,CI,0 | |
| COC(=O)c1cn2ccc3ccccc3c2c1C(=O)OC,CI,0 | |
| Cc1ccc2c(c1)C(c1ccccc1)C1COC(=O)C1O2,CI,0 | |
| CCCCn1cnc2ccc3[nH]c(C)nc3c2c1=O,CI,0 | |
| COc1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1,CI,0 | |
| Oc1nc(N2CCOCC2)nc2cc3ccccc3cc12,CI,0 | |
| O=NC(=C(c1ccccc1)N1CCOCC1)c1ccccc1,CI,0 | |
| COC(=O)C(C)(C)C(OP1(=S)N(C)CCN1C)=C(C)C,CI,0 | |
| COc1nn(C)c(=O)c2cccnc12,CI,0 | |
| CCOC(=O)c1ccc(N2CN3c4ccccc4CCC3C2c2cnc(O)nc2O)cc1,CI,0 | |
| O=C1NN=C2CCCCCC12,CI,0 | |
| CN1CCC2CCCCN2CC1=O,CI,0 | |
| CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,CI,0 | |
| CC(C)(C)OC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CSC(c1ccccc1)c1ccccc1)NC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1,CI,0 | |
| CC(C)COCSCC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C,CI,0 | |
| CCOC(=O)C(CC(C)C)NC(=O)c1cc(SC#N)c(C)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)NC(CC(C)C)C(=O)OCC)O2,CI,0 | |
| CC(CN1CCN(CC(C)Nc2ccnc3cc(Cl)ccc23)CC1)Nc1ccnc2cc(Cl)ccc12,CI,0 | |
| Cc1cc2c(c(O)n1)C(=O)NC2=O,CI,0 | |
| O=C(C[n+]1ccccc1Br)c1ccc2ccccc2c1,CI,0 | |
| c1ccc(C2=NNc3cccc[n+]3C2)cc1,CI,0 | |
| CC1(C)OC2C3CCC(C)(C3)C2(c2ccccc2)O1,CI,0 | |
| CC1(C)C2CCC1(C)C(O)(c1ccccc1)C2=O,CI,0 | |
| CC12CCC(C1)C(O)(c1ccccc1)C2(O)c1ccccc1,CI,0 | |
| O=S1(=O)CC2C3CC(Oc4ccccc4)C(C3)C2C1,CI,0 | |
| C[S+]1CC2C3CC(C#N)C(C3)C2C1,CI,0 | |
| O=C(c1ccccc1)C1(C(=O)c2ccccc2)C(=NO)C2CCC1C2,CI,0 | |
| c1ccc(C(=C2C3CCC2C2CSCC32)c2ccccc2)cc1,CI,0 | |
| CC(C)=C1C2CCC1C1CSCC21,CI,0 | |
| O=C1CCC2(CC(Br)C(=O)c3ccccc32)C(=O)N1,CI,0 | |
| O=P1(O)c2ccccc2CSCc2ccccc21,CI,0 | |
| COc1ccc(Cl)c([Bi](c2cc(OC)ccc2Cl)c2cc(OC)ccc2Cl)c1,CI,0 | |
| CN1CCCC1CCNc1nc(C(Cl)(Cl)Cl)nc2cc(Cl)ccc12,CI,0 | |
| NC(=O)C1=CN(Cc2ccc(F)cc2)c2ccccc2C1S(=O)(=O)O,CI,0 | |
| CCCCCCCCCCCCN1C=C(C(N)=O)C(S(=O)(=O)O)c2ccccc21,CI,0 | |
| O=C1C=CC(=O)c2nc(-c3ccccc3)c(-c3ccccc3)nc21,CI,0 | |
| Cc1ccc2c(c1)nc1c3ccccc3nnn21,CI,0 | |
| Cc1ccc2c(c1)nc1c3ccccc3[nH]n21,CI,0 | |
| Nc1ccccc1-c1nc2c(ccc3ccccc32)[nH]1,CI,0 | |
| c1ccc2c(c1)ccc1c2nc2c3ccccc3[nH]n12,CI,0 | |
| Cn1c(=O)c(=O)n(C)c2nc3ccccc3nc21,CI,0 | |
| Oc1cc(C(F)(F)F)nc2c3ncccc3c3nc4ccccc4nc3c12,CI,0 | |
| c1ccc(-c2nc3nc4ccccc4nc3nc2-c2cccnc2)nc1,CI,0 | |
| c1ccc(-c2nc3nc4ccccc4nc3nc2-c2ccccn2)nc1,CI,0 | |
| O=C1C=CC(=O)c2nc3c(nc21)[nH]c1ccccc13,CI,0 | |
| Nc1ccccc1-c1nc2ccncc2[nH]1,CI,0 | |
| c1ccc2c(c1)nnn1c3ncccc3nc21,CI,0 | |
| c1ccc2c(c1)nnn1c3cnccc3nc21,CI,0 | |
| Nc1ccccc1C1=Nc2cncnc2NC1,CI,0 | |
| CCOc1cc(NCCCN)c2nc(OCc3ccccc3)ccc2c1,CI,0 | |
| CC1=C(C)C2(C#N)CC(=O)N=C2O1,CI,0 | |
| CCOC(=O)c1cc2c(=O)cccnc2o1,CI,0 | |
| CC1NC(=O)C2=C1C(=O)NC(=O)C2,CA,1 | |
| O=C1c2c(C=Cc3ccc(Cl)c(Cl)c3)nc3ccccc3c2C(=O)N1CCN1CCCCC1,CI,0 | |
| O=C(OC1=C(OC(=O)c2ccc(N=Nc3ccccc3)cc2)c2ccccc21)c1ccc(N=Nc2ccccc2)cc1,CI,0 | |
| OC1=c2ccccc2=C1O,CI,0 | |
| C=CCC(C(=N)C(C#N)(CC=C)C1=CCCCC1)C1=CCCCC1,CI,0 | |
| O=C1OC(=O)c2cnccc21,CI,0 | |
| N=c1[nH]c(=N)n2c(=N)[nH]c(=N)n12,CI,0 | |
| CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1.CCS(=O)(=O)O,CI,0 | |
| CC1CCCc2c(CC3CC(=O)NC(=O)C3)nc(N)nc21,CI,0 | |
| O=C1c2c(O)ccc(Nc3ccc(N=Nc4ccccc4)cc3)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21,CI,0 | |
| O=C(Nc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)cc1)C(N1CC1)(N1CC1)N1CC1,CI,0 | |
| C[N+]12C(=O)CC3OCC=C4C[N+]5(C)CCC6(c7ccccc71)C2C3C4CC65O,CI,0 | |
| CC1OC(OCC2OC(Oc3ccc4c(=O)c(-c5ccc6c(c5)OCO6)coc4c3)C(O)C(O)C2O)C(O)C(O)C1O,CM,1 | |
| c1ccc2c(c1)ncn1nnnc21,CI,0 | |
| CC1=C(C#N)C2(C(=O)N(C)c3ccccc32)C(C#N)=C(C)N1c1ccccc1,CI,0 | |
| Cc1nccc2c(C)c3sc4ccccc4c3cc12,CI,0 | |
| O=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21,CI,0 | |
| c1ccc([PH](Cc2cccc(C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)c2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| C1CCC(CC[N+]23CC[N+](CCC4CCCC4)(CC2)C3)C1,CI,0 | |
| S=c1sc2ccccc2n1CCSSCCn1c(=S)sc2ccccc21,CI,0 | |
| O=c1sc2ccccc2n1CCSSCCn1c(=O)sc2ccccc21,CI,0 | |
| CC12CC(OC1=O)C(=O)c1ccccc12,CI,0 | |
| O=C1C(O)=C(C(CCc2ccccc2)C2=C(O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21,CI,0 | |
| O=C1C(O)=C(C(C=Cc2ccccc2)C2=C(O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21,CI,0 | |
| N=C1NNC(=O)C1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,CI,0 | |
| NC1=CNC(=O)C1,CI,0 | |
| CC1Cc2c(nc3n(c2=O)CCCCC3)O1,CI,0 | |
| N=c1[nH][nH]c2nc3n(c(=O)c12)CCCCC3,CI,0 | |
| CCOC(=O)C1=C(N)SCCC1,CI,0 | |
| CC1=NOC(=O)C12CC2,CI,0 | |
| Cc1ccc(S(=O)(=O)SCc2ccccc2)cc1,CI,0 | |
| CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(CO)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6OC(CO)C(O)C(O)C6O)C5CCC43C)C2C1,CI,0 | |
| O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,CI,0 | |
| C=C(C)C(=O)OC1CC23OC2CCC(=CC2OC(=O)C(=C)C21)COC3O,CI,0 | |
| CC(=O)N1C(=O)C2(NCCCN2)c2ccccc21,CI,0 | |
| CN1C(=O)C2(Nc3ccccc3N2)c2ccccc21,CI,0 | |
| CCOC(=O)c1nnc2sc(-c3ccccc3)nn12,CI,0 | |
| O=C1CC(CC(O)C2CCCC2O)CC(=O)N1,CI,0 | |
| CC(=O)OC1CCC2(CO)C(CCC3C4CCC(=O)C4(C)CCC32)C1,CI,0 | |
| CCOC(=O)C(NNc1ccccc1)C(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| c1ccc(NNCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| COC(CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1,CI,0 | |
| O=C(OC(CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| COc1ccc(-c2oc(=O)c3ccccc3c2-c2ccccc2)cc1,CI,0 | |
| COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O,CI,0 | |
| O=P(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1,CI,0 | |
| O=C1CCC2CCC(=O)N12,CI,0 | |
| CCSC1=[N+](SCC)CCCS1,CI,0 | |
| COC1c2ccccc2C2C(Cl)(Cl)C23c2ccccc2C13,CI,0 | |
| COc1ccc(CN2C(=S)SC(c3ccc(Cl)cc3)N2c2ccc(OC)cc2)cc1,CI,0 | |
| COc1ccc(C2SC(=S)N(Cc3ccc(Cl)cc3)N2Cc2ccc(Cl)cc2)cc1,CI,0 | |
| COc1ccc(C2SC(=S)N(c3ccc(Cl)cc3)N2c2ccc(Cl)cc2)cc1,CI,0 | |
| O=C(NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| Clc1ccc(NN(c2ccccc2)c2ccc(Cl)cc2)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)OC2C3CCC4C(COC42)C3)cc1,CM,1 | |
| CC(=O)OC1CCC23COC(CC(C)C2C)C3(Cl)C1,CI,0 | |
| COC(=O)N1C2C3CC4C2C4C3N1C(=O)OC,CI,0 | |
| O=C1NC(=O)C(Cc2ccccc2Cl)N1,CI,0 | |
| O=C1NC(=O)C(=C2CCCCC2)N1,CI,0 | |
| CC(C)C1=CC2=CC(O)C3C(C)(C)CCCC3(C)C2=C(O)C1=O,CI,0 | |
| CC(C)C1=CC2=CC(=O)C3C(C)(C)CCCC3(C)C2=C(O)C1=O,CI,0 | |
| C1Cc2nnnn2C1,CI,0 | |
| O=C(c1ccccc1)C1N(c2ccccc2)CCN1c1ccccc1,CI,0 | |
| CC1CCCC2=C1C(=O)N(CSCN1C(=O)C3=C(C1=O)C(C)CCC3)C2=O,CI,0 | |
| CC(SSC(C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O,CI,0 | |
| c1ccc(CSCSCc2ccccc2)cc1,CI,0 | |
| CC12C(C(=O)O)C1(c1ccccc1)C2C(=O)O,CI,0 | |
| c1ccc(N2N=NC3CCCC32)cc1,CI,0 | |
| N=C1SC2CCCCCCC2S1,CI,0 | |
| O=C1c2ccccc2C(=O)N1CSS(=O)(=O)O.c1ccncc1,CI,0 | |
| COC(=O)C(NC(=O)C(C)NC(=O)C1CCCN1C(=O)CNC(=O)C(CO)NC(=O)C(NC(=O)OCc1ccccc1)C(C)O)C(C)O,CI,0 | |
| CC1OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)NC1=O,CI,0 | |
| S=C(NN=C1C(NNC(=S)NC23CC4CC(CC(C4)C2)C3)=Nc2ccccc21)NC12CC3CC(CC(C3)C1)C2,CI,0 | |
| Cc1cc(C)c(C2=[N+]([O-])ON3CCc4ccccc4C23)c(C)c1,CI,0 | |
| O=C(O)CC1OCC=C2CN3CCC45c6ccccc6NC4C1C2CC35,CI,0 | |
| COc1cc2c(cc1OC)C13CC[N+]4(C)CC5=CCOC6CC(=O)N2C1C6C5CC34O,CI,0 | |
| C[N+]12CCC34c5ccccc5NC3C3C(CC(=O)O)OCC=C(C1)C3CC42,CI,0 | |
| S=C1NN=CNNC=NN1,CI,0 | |
| COc1ccc2c(c1)CCN1C2CCN2C(=O)CCC21,CI,0 | |
| O=C(S)C(=O)Cc1nnn(-c2ccccc2)c1-c1ccccc1,CI,0 | |
| CCCCC1C(=O)N2c3ccccc3-c3ccccc3N2C1=O,CI,0 | |
| Cc1ccc(S(=O)(=O)NC(=O)NCCSSCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,CI,0 | |
| O=C1CC2C(=O)C1C(C(=O)O)C2C(=O)O,CI,0 | |
| COC(=O)C1C2CC(=NO)C1C2,CI,0 | |
| Cc1c(CCO)c(=O)n2n1CCCC2,CI,0 | |
| O=c1c(CCO)c(C2CC2)n2n1CCCC2,CI,0 | |
| O=C1N(c2ccccc2)N=C(c2ccccc2)C12CC2,CI,0 | |
| CC1=NNC(=O)C12CC2,CI,0 | |
| Cn1c(=O)[nH]c2c(c1=O)CCCS2,CI,0 | |
| Oc1csc2n(-c3ccccc3)c3ccccc3[n+]12,CI,0 | |
| C1=Cc2ccccc2C1=Cc1cc2c3c(c1)CCCN3CCC2,CI,0 | |
| O=C(CC(c1ccccc1)C1C(=O)C12CCCC2)c1ccccc1,CI,0 | |
| CC1(CC(=O)O)OC2CCCCCC2O1.NCc1ccccc1,CI,0 | |
| CC1=Nc2ccccc2C12C(c1ccccc1)CC(=O)N1c3ccccc3CC12,CI,0 | |
| O=C1c2ccccc2C(=O)c2c(SSc3cccc4c3C(=O)c3ccccc3C4=O)cccc21,CI,0 | |
| O=C1OC2=C(c3ccccc3)C(=O)OC2=C1c1ccccc1,CI,0 | |
| CC(=O)OC1CCC2(C)C(CCC3C4CCC(C(C)OC(C)=O)C4NC(=O)CC32)C1,CI,0 | |
| CC(=O)OC1CCC2C3CCC4(C)C(=O)CCC4C3C3OC23C1,CI,0 | |
| COc1cc(OC)c2c(c1)OC1OC(=O)CC21,CI,0 | |
| O=C1CC2c3c(OCc4ccccc4)cccc3OC2O1,CI,0 | |
| COC1=CC2OC3OC(=O)CC3C2C(OCc2ccccc2)=C1,CI,0 | |
| Cc1cc(=O)oc2cc(O)cc(OCc3ccccc3)c12,CI,0 | |
| N=c1c2ccccc2nnn1-c1ccccc1[N+](=O)[O-],CI,0 | |
| CN(C)C1C(O)=C(C(=O)NCN2CCN(C(=N)NC(=N)N)CC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,CI,0 | |
| CC(=O)Oc1cccc2c1C(=O)C1CC(O)C(O)C3OC(C)(C)OC2(C)C13,CI,0 | |
| COC(=O)C1C23CC(=O)CC1(c1ccc4c(c1)OCO4)C2NC3=O,CI,0 | |
| O=C(CNC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)NCC(=O)NC(CO)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1,CI,0 | |
| COC(=O)CC1C(C)(C)C(=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,CI,0 | |
| CC(O)(c1ccccc1)c1ccc2ccccc2n1,CI,0 | |
| Cc1ccc2c(c1)[Sn](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2C,CI,0 | |
| Cc1ccc2c(c1)S(=O)(=O)N(C)C(c1ccccc1)=C2,CI,0 | |
| N#CC(=C(Cc1ccc(F)cc1)NP(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1,CI,0 | |
| O=C1OC2(O)c3ccccc3C(=O)N2N2CCCCC12,CI,0 | |
| O=C1OC2(O)c3ccccc3C(=O)N2N2CCCC12,CI,0 | |
| O=C1C=C(c2ccccc2)OC1(Cl)c1ccccc1,CI,0 | |
| COC(=CC(=O)c1ccccc1)C(=O)c1ccccc1,CI,0 | |
| CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43COC(=O)c3ccccc3)N2C1,CI,0 | |
| CC(=O)C1=C(O)C2C3c4c[nH]c5cccc(c45)CC3C(C)(C)N2C1=O,CI,0 | |
| Cn1cncc1CC1COC(=O)C1C(O)c1ccccc1,CI,0 | |
| O=C1C(O)=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(C(C3=C(O)C(=O)c4ccccc4C3=O)C3=C(O)C(=O)c4ccccc4C3=O)cc2)C(=O)c2ccccc21,CI,0 | |
| Cc1ncc2c(n1)NC(c1ccc([N+](=O)[O-])cc1)NC2,CI,0 | |
| Cc1ccc([S+](c2ccccc2)c2cc(C)ccc2C)cc1.O=C(OC(C(=O)O)C(OC(=O)c1ccccc1)C(=O)O)c1ccccc1,CI,0 | |
| COc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1,CI,0 | |
| Cc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1,CI,0 | |
| c1ccc([S+](C[Hg]C[S+](c2ccccc2)c2ccccc2)c2ccccc2)cc1,CI,0 | |
| O=Nc1cc(-c2nccc3ccccc23)[nH]c1-c1ccccc1,CI,0 | |
| c1ccc(N2CC3CSc4ccc5ccccc5c4C3=N2)cc1,CI,0 | |
| c1ccc(N2CC3CSc4c(ccc5ccccc45)C3=N2)cc1,CI,0 | |
| O=C1N=C(NO)c2ccccc21,CI,0 | |
| O=c1[nH]c2ncsc2c(=O)n1O,CI,0 | |
| O=S1(=O)CC2C3C=CC(O3)C21,CI,0 | |
| O=S1(=O)CC2(N3CCCC3)CCCCC21,CI,0 | |
| O=S1(=O)C=C2CCCCC21,CI,0 | |
| Nc1nc(O)c2nc3c(nc2n1)C(=O)N(C1CCCCC1)C3,CI,0 | |
| CC1NCc2c(S)ncnc21,CI,0 | |
| Oc1ncnc2c1CN(c1ccccc1)C2,CI,0 | |
| Cc1ccc(S(=O)(=O)ON2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1,CI,0 | |
| O=C1OCc2cc[n+]([O-])cc21,CI,0 | |
| c1ccc2c(c1)cnn1cnnc21,CI,0 | |
| NC(=O)c1cn(C2OC(CO)C(O)C2O)c2nc[n+]([O-])c(N)c12,CI,0 | |
| CN(C)c1ccc(CC2CCc3ccccc32)cc1,CI,0 | |
| O=C1CC2(CCN(Cc3ccccc3)CC2)CC(=O)N1,CI,0 | |
| O=c1c2ccccc2oc2ccccc12.Oc1cccc2cccnc12,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)c(N(c2cccc3ccccc23)c2cccc3ccccc23)c2c(C(C)C)c(O)c(O)c(C=O)c2c1O,CI,0 | |
| Cc1c(CCC(C)C)oc2cc3oc(CCC(C)C)c(C)c3cc12,CI,0 | |
| CC1(C(=O)O)CCCC2(C)C3=CC(=O)CCC3=CCC12,CI,0 | |
| O=C1OC(=O)C2C3CC(C4N=NN(c5ccccc5)C34)C12,CI,0 | |
| O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| CCC1C(=O)OC2OC(c3ccccc3)(c3ccccc3)NC21,CI,0 | |
| Oc1ccc(C2Oc3cc(OC4OCC(O)C(O)C4O)cc(O)c3CC2O)cc1O,CI,0 | |
| CCOC(=O)c1cc(NN=C2CCCNC2=O)c[nH]1,CI,0 | |
| Cc1ccc(S(=O)(=O)N(CC(=O)O)c2c[nH]c(C(=O)O)c2)cc1,CI,0 | |
| CN(C)CCC(O)(Cc1ccccc1)c1ccco1.O=C(O)C(=O)O,CI,0 | |
| BrC1CN2CC(Br)CN2C1,CI,0 | |
| Cc1ccc(S(=O)(=O)N2C(=Cc3ccccc3)C(=O)c3ccccc3-c3ccccc32)cc1,CI,0 | |
| O=C1C(O)=C(Nc2ccc(Cl)cc2)C(=O)c2ccccc21,CI,0 | |
| CC(=O)NCC(=O)O.N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1,CI,0 | |
| C=C1CC(OC)(C(O)C(=O)NC(OC)C2CC(O)C(C)(C)C(CC(COC)OC)O2)OC(C)C1C,CI,0 | |
| COc1cc2c(cc1OC)C(Cc1ccccc1NC(=O)c1ccc(C(=O)Nc3ccccc3CC3c4cc(OC)c(OC)cc4CCN3C)cc1)N(C)CC2,CI,0 | |
| O=[N+]([O-])c1ccc(N=Nc2ccc3c(c2)-c2ccccc2C3=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O,CI,0 | |
| CC1([N+](=O)[O-])COP(=O)(Nc2cccc(Cl)c2)OC1,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2occ(C)c2C)cc1,CI,0 | |
| Cn1c(N)c(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(=O)n(C)c1=O,CI,0 | |
| Cc1cc(NS(=O)(=O)c2ccc(N=Nc3c(N)n(C)c(=O)n(C)c3=O)cc2)nc(C)n1,CI,0 | |
| Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3c(N)n(C)c(=O)n(C)c3=O)cc2)s1,CI,0 | |
| Cc1coc(NS(=O)(=O)c2ccc(N=Nc3c(N)n(C)c(=O)n(C)c3=O)cc2)c1C,CI,0 | |
| Cn1c(N)c(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(=O)n(C)c1=O,CI,0 | |
| Cc1cc(Nc2ccc(N=Nc3ccc(O)c4ncccc34)cc2)nc(C)n1,CI,0 | |
| COC(=O)C1CC23C=CCN4CC(C2C)C2(c5ccccc5NC12)C43,CI,0 | |
| Cc1cnc2c(Nc3ccc(Cl)cc3)cc(N)nc2n1,CI,0 | |
| CCOC(=O)Nc1cc(Nc2ccc(Cl)cc2)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2n1,CI,0 | |
| COc1cc2nncc(Sc3cnc4ccccc4n3)c2cc1OC,CI,0 | |
| COc1cc2nncc(Sc3cnnc4ccccc34)c2cc1OC,CI,0 | |
| C1CCC(N2OC23CCCCC3)CC1,CI,0 | |
| CN1CCC2(CC1)C(C#N)C(=O)NC(=O)C2C#N,CI,0 | |
| CC1(C)Oc2ncnc(N)c2C1c1ccccc1,CI,0 | |
| Nn1c(=S)[nH]n2cnnc12,CI,0 | |
| CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C(N)Cc1ccccc1.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.O=C(O)c1cccnc1,CI,0 | |
| c1ccc2c(c1)OCOc1ccccc1OCO2,CI,0 | |
| COc1ccc(Cc2c[n+](C)cc3cc(N=O)c(OC)cc23)cc1O,CI,0 | |
| NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)O,CI,0 | |
| NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)O,CI,0 | |
| O=C1NC(O)CCN1C1OC(CO)C(O)C1O,CI,0 | |
| CN(C)c1cc2c3ccccc3ccc2c2ccccc12,CI,0 | |
| O=C(Nc1ccc([N+](=O)[O-])cc1)N(c1ccccn1)c1ccccn1,CI,0 | |
| O=S(=O)(SC1=NCCN1)c1ccccc1,CM,1 | |
| C=Cc1cc[n+](CCCCCC[n+]2ccc(C=C)cc2)cc1,CI,0 | |
| C=Cc1cc[n+](Cc2ccc(C[n+]3ccc(C=C)cc3)cc2)cc1,CM,1 | |
| C=Cc1cc[n+](CCCCC[n+]2ccc(C=C)cc2)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)SC(=Nc2ccccn2)Nc2ccccn2)cc1,CI,0 | |
| C#CC(OC(=O)NC1CCCCC1)(c1ccccc1)c1ccccc1,CI,0 | |
| CC(=O)OC12CC[N+]3(C)CCCCC3C1=Nc1ccccc12,CI,0 | |
| Cc1nc(C)c2c(n1)Oc1ccc3ccccc3c1C2,CI,0 | |
| CCn1c2ccccc2c2cc(N=C3C(=O)N(C)c4ccccc43)ccc21,CI,0 | |
| O=P1(O)Cc2ccccc2-c2ccccc21,CI,0 | |
| S=c1ssc2ccccc12,CI,0 | |
| Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1,CI,0 | |
| CN1C(=O)C(=NNC(=O)Cc2c[nH]c3ccccc23)c2ccccc21,CI,0 | |
| O=C(N=NC(=O)Oc1ccccc1)Oc1ccccc1,CI,0 | |
| O=C(Nc1ccc([N+](=O)[O-])cc1)N(c1cc(Cl)ccn1)C1CCCCC1,CI,0 | |
| O=C(Nc1ccc([N+](=O)[O-])cc1)N(c1ccccc1)c1cc(N2CCOCC2)ccn1,CI,0 | |
| CN(C(=S)Nc1ccccc1)c1cc(N2CCCC2)ccn1,CI,0 | |
| Nc1ncnc2c1nc1n2C2OC(CO)C(O)C2O1,CI,0 | |
| CC12c3ccccc3C(c3ccccc31)C1C(=O)OC(=O)C12,CI,0 | |
| O=Cc1ccccc1OCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| c1ccc([PH](CC2CCCO2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| c1ccc([PH](Cc2ccco2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| c1ccc(CCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| COc1nccnc1NS(=O)(=O)c1ccc(N)cc1,CI,0 | |
| CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,CI,0 | |
| O=C(Nc1cccc2nsnc12)c1ccc(C(=O)Nc2cccc3nsnc23)cc1,CI,0 | |
| COc1ccc(C2(Br)C(=O)NN=C2C)cc1,CI,0 | |
| O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1,CI,0 | |
| N#CC1(C#N)OC12CCS(=O)(=O)c1ccccc12,CI,0 | |
| N=C1SCC(=O)N1CCN1C(=N)SCC1=O,CI,0 | |
| NC(=O)C1C(=O)c2cccc3c2C1CCCC3,CI,0 | |
| O=c1c2cc([N+](=O)[O-])ccc2sc2ccsc12,CI,0 | |
| CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,CI,0 | |
| Oc1c(CN2CCOCC2)cc(N=Nc2ccccc2)c(O)c1CN1CCOCC1,CI,0 | |
| c1ccc2c(c1)NC(SSC1Nc3ccccc3S1)S2,CI,0 | |
| CC(=C(SSC(C(=O)O)=C(C)c1cccc(O)c1)C(=O)O)c1cccc(O)c1,CI,0 | |
| COc1ccc(C=C2CSC(=O)NC2=O)cc1OC,CI,0 | |
| COc1c2c(cc3c1C1(O)Cc4ccc5c(c4C[N+]1(C)CC3)OCO5)OCO2,CI,0 | |
| CC1(N)COP(=O)(NCc2ccccc2)OC1,CI,0 | |
| Cn1c(=O)cc(C=Nc2ccc(-c3ccccc3)cc2)c2ccccc21,CI,0 | |
| Cn1c(=O)cc(C=Cc2ccnc3ccccc23)c2ccccc21,CI,0 | |
| Cn1c(=O)cc(C=Nc2ccc(N=Nc3ccccc3)cc2)c2ccccc21,CI,0 | |
| Cn1c(=O)cc(CNc2ccc(-c3ccccc3)cc2)c2ccccc21,CI,0 | |
| CN1C(C)(c2ccccc2)c2ccccc2S1(=O)=O,CA,1 | |
| O=S1(=O)c2ccccc2C(c2ccccc2)(c2ccccc2)N1c1ccccc1,CI,0 | |
| CN1C(c2ccccc2)(c2ccccc2)c2ccccc2S1(=O)=O,CI,0 | |
| COc1cc(N=Nc2ccc3c(c2)Cc2ccccc2-3)c(OC)cc1N,CI,0 | |
| COC1OC2COC(c3ccccc3)OC2C2OC(=S)OC12,CI,0 | |
| Cc1nccc2c(C(=O)O)c(C(=O)O)[nH]c12,CI,0 | |
| CC1C(Cl)(Cl)C1(C)C=CC1C(C)(C)C1(Cl)Cl,CI,0 | |
| Cn1nc(Br)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O,CI,0 | |
| NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O,CI,0 | |
| CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1.O=C(O)C=CC(=O)O,CI,0 | |
| COc1ccccc1N1CCN(CCc2c[nH]c3cc4c(cc23)OCO4)CC1.O=C(O)C(O)C(O)C(=O)O,CI,0 | |
| CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1,CI,0 | |
| O=C1C=C2C=CC3CC2(O1)C1CCCCN31,CI,0 | |
| COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(OC7OC(C)(C)C(OC)C(OC(=O)c8ccc(C)[nH]8)C7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C,CM,1 | |
| O=C(Oc1ccc(N=Cc2ccc3c(c2)OCO3)cc1)Oc1ccc(N=Cc2ccc3c(c2)OCO3)cc1,CI,0 | |
| COc1cc(C[N+]23CC[N+](Cc4cc(OC)cc(OC)c4)(CC2)C3)cc(OC)c1,CI,0 | |
| CC(C=CC(O)=C1C(=O)CNC1=O)=CC(C)C1OC2(C)OC(C(=O)C3OC32C)C1C,CI,0 | |
| O=c1oc2c(cc1O)oc(=O)c1cc(O)c(O)c(O)c12,CI,0 | |
| O=C(NC1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CCC2,CI,0 | |
| CCOC(C(=O)N(C)CCN(C)CCc1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| CC(C)(CCCCC(C)(C)NC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)Nc1ccc(Cl)c(Cl)c1,CI,0 | |
| Oc1ccnc(SSc2nccc(O)n2)n1,CI,0 | |
| O=c1[nH]c2nn(-c3ccccc3)cc2c(=O)n1O,CI,0 | |
| O=c1[nH]c2cn(-c3ccccc3)nc2c(=O)n1O,CI,0 | |
| O=c1[nH]c2nn(-c3ccccc3)cc2c(=O)n1OS(=O)(=O)c1ccccc1,CI,0 | |
| Cc1nc(NCc2ccccc2)c2cc[nH]c2n1,CI,0 | |
| C[N+](C)(CCOc1ccccc1)Cc1cccs1.O=S(=O)(O)c1ccc(Cl)cc1,CI,0 | |
| COc1ccc2c(c1)C13CCCC(C)(C(=O)NC1)C3CC2,CI,0 | |
| Nc1ccc(C=CC2(CCl)OCCO2)cc1,CI,0 | |
| CC1(C)C=CC2=C(O1)C(=O)c1ccccc1C2=O,CI,0 | |
| O=C1CCCC(=O)NNC(=O)NCCCCCCNC(=O)NN1,CI,0 | |
| O=C1CCCC(=O)NNC(=O)Nc2ccc(cc2)Cc2ccc(cc2)NC(=O)NN1,CI,0 | |
| O=C(CCCC(=O)NNC(=O)Nc1ccc(N=Nc2ccccc2)cc1)NNC(=O)Nc1ccc(N=Nc2ccccc2)cc1,CI,0 | |
| COC1Nc2c(ccc(C)c2O)C(=O)N2C=C(C=CC(N)=O)CC12,CI,0 | |
| CC(=O)OC1C2OC2C2OC2(COC(=O)c2ccccc2)C1OC(C)=O,CI,0 | |
| O=C(Cc1ccccc1)ONC(CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(CCCCNC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)cc2)cc1,CI,0 | |
| CCOC1(OCC)C([N+](=O)[O-])=CC(=[N+]([O-])[O-])C=C1[N+](=O)[O-],CI,0 | |
| Cc1ccc2nn(-c3ccc(O)cc3)nc2c1,CI,0 | |
| Cc1ccc2nn(-c3ccc(O)cc3)[n+](=O)[c-]2c1,CI,0 | |
| O=C1C(c2ccccc2)C2C=CC(C2)N1O,CI,0 | |
| O=C1OC(=O)C2C1C=C(c1ccccc1)C1C3C=CC(C4C(=O)OC(=O)C34)C21,CI,0 | |
| CCCC1C2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1,CI,0 | |
| CCOC(=O)N1C=Cc2c(c3ccccc3n2C)N1C(=O)OCC,CI,0 | |
| CCOC(=O)NP(=O)(NNc1ccccc1)NNc1ccccc1,CI,0 | |
| O=C(NP(=O)(Nc1ccccc1)Nc1ccccc1)N1CC1,CI,0 | |
| O=C(CCCC(=O)NN=Cc1ccc(O)c(O)c1)NN=Cc1ccc(O)c(O)c1,CI,0 | |
| O=C(NNc1ccccc1)NP(=O)(NC(=O)NNc1ccccc1)NC(=O)NNc1ccccc1,CI,0 | |
| CC1(C)C(=C(C#N)C#N)C(C)(C)C1=C(C#N)C#N,CI,0 | |
| CCOC(=O)C1(Br)CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O,CI,0 | |
| c1ccc(C2=Nc3ccccc3N=C3CCCC32)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)N2CC(O)C=Cc3ccccc32)cc1,CI,0 | |
| Cc1ccc(C(CO)(CO)OC(CO)(CO)c2ccc(C)c(C)c2)cc1C,CI,0 | |
| O=C1c2cccc3cccc(c23)C(=O)N1c1ncn[nH]1,CI,0 | |
| COc1ccc2c(c1O)C13CCN(C)C(C2)C12C=CC(=O)C3c1c(O)ccc(O)c12,CI,0 | |
| Cc1c2c(cc3c1OCN(Cc1ccccc1)C3)CN(Cc1ccccc1)CO2,CI,0 | |
| O=[N+]([O-])c1ccc(O)c(CN(Cc2ccccc2)Cc2c(O)ccc3ccccc23)c1,CI,0 | |
| O=C1c2cc([N+](=O)[O-])ccc2NC1(c1c[nH]c2ccccc12)c1c[nH]c2ccc(Br)cc12,CI,0 | |
| COc1ccc(CC(=O)C2C(=O)N(C)c3ccccc32)cc1OC,CI,0 | |
| O=C1C(=C2Nc3cc4c(cc3C2=O)OCO4)Nc2cc3c(cc21)OCO3,CI,0 | |
| O=Nn1cc(-c2cc3ccccc3n2N=O)c2ccccc21,CI,0 | |
| O=C1C(c2c[nH]c3ccccc23)=Nc2ccc(Br)cc21,CI,0 | |
| Oc1nc2ccc3nc(O)c4ccc1c2c34,CI,0 | |
| CCCCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCCC)cc(C4N=CCN4)c3)cc2)cc(C2=NCCN2)c1,CM,1 | |
| O=S(=O)(ON=C1C=CC(=NOS(=O)(=O)c2ccccc2)C=C1)c1ccccc1,CI,0 | |
| O=c1[nH]c2c(cnn2-c2ccccc2)c(=O)n1OS(=O)(=O)c1ccccc1,CI,0 | |
| O=c1[nH]c2cnn(-c3ccccc3)c2c(=O)n1OS(=O)(=O)c1ccccc1,CI,0 | |
| O=c1[nH]c2c(cnn2-c2ccccc2)c(=O)n1O,CI,0 | |
| O=c1[nH]c2cnn(-c3ccccc3)c2c(=O)n1O,CI,0 | |
| CC1=NS(=O)(=O)NC(C)(C)C1,CI,0 | |
| CCCC1N=C(c2ccccc2)C2C(c3ccc([N+](=O)[O-])cc3)N12,CI,0 | |
| O=C1C2C(C(=O)N1c1ccccc1)C(c1ccccc1)N(c1ccccc1)C2c1ccccc1,CI,0 | |
| CN(C)c1ccc2nc3c(C(=O)O)cc(O)c(O)c3[o+]c2c1,CI,0 | |
| c1snnc1-c1cnns1,CI,0 | |
| CN(C)c1ccc(C=Nc2ccc(C=C3C=Cc4ccccc43)cc2)cc1,CI,0 | |
| NC(=S)NN=C1CCCCC1=NNC(N)=S,CI,0 | |
| CC(C)(C)C1CCC2(CC1)CCN(N1CCCCCC1)CC2,CI,0 | |
| CC(C)(C)C1CCC2(CC1)CC(=O)N(N1CCCCCC1)C(=O)C2,CI,0 | |
| c1ccc2c(c1)[nH]c1c[n+]3c(c[n+]12)[nH]c1ccccc13,CI,0 | |
| Cc1cc(Cl)nc(NC(=O)NP(=O)(Nc2ccccc2)Nc2ccccc2)n1,CI,0 | |
| Cc1ccc(NC(=O)NP(=O)(Nc2ccccc2)Nc2ccccc2)cc1Cl,CI,0 | |
| CCOC(=O)NP(=O)(NC1CCCCC1)NC1CCCCC1,CI,0 | |
| CCOC(=O)NP(=O)(Nc1ccccn1)Nc1ccccn1,CI,0 | |
| CC(=O)Nc1ccc(C=NNc2nnc(NN=Cc3ccc(NC(C)=O)cc3)c3ccccc23)cc1,CI,0 | |
| COC(=O)CC1C(=O)OC23CCC1C2(C)CCC1C3CCC2CC(OC(C)=O)CCC21C,CI,0 | |
| O=C1C(O)=C(CCCCCCCCC2CCCCC2)C(=O)c2ccccc21,CI,0 | |
| CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCCN1C(=O)OCc1ccccc1,CI,0 | |
| CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCCN1,CI,0 | |
| N#CC1C(=O)NC(=O)C(C#N)C12CCCC(C(F)(F)F)C2,CI,0 | |
| CSc1n[n+](C)c2cc(C)c3ccccc3n12,CI,0 | |
| O=C(O)C1(Cl)C2(Cl)C(Cl)=CC3(Cl)C(Cl)(C(=O)O)C2(Cl)C31Cl,CI,0 | |
| ClC1(Cl)C2(Cl)C3(Cl)C4C2(Cl)C2(Cl)C4(Cl)C3(Cl)C12Cl,CI,0 | |
| O=C1C2(Cl)C3(Cl)C4(OCCO4)C4(Cl)C2(Cl)C2(Cl)C1(Cl)C3(Cl)C42Cl,CI,0 | |
| O=C1ON(c2ccccc2)C(c2ccccc2)N1c1ccccc1,CI,0 | |
| OCCN1CC2CCCC1O2,CI,0 | |
| CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O,CI,0 | |
| CCOc1ccccc1C1N2CCN(CC2)C(c2ccccc2OCC)N2CCN1CC2,CI,0 | |
| O=S1(=O)CC2(N3CCOCC3)CCCCC21,CI,0 | |
| Cn1ncc2c(N(N)CCO)nc(-c3ccc([N+](=O)[O-])o3)nc21,CI,0 | |
| CC1CNC2C(C)C3C(CC4C5CCC6CC(N)CCC6(C)C5CCC43C)OC2(O)C1,CI,0 | |
| O=C1NC(=O)N2CCSC2(Cc2ccccc2)N1,CI,0 | |
| O=c1ccc(=O)n(CCc2ccccn2)[nH]1,CI,0 | |
| Nc1ccc2c(c1)C1(NC(=O)NC1=O)c1cc(N)ccc1-2,CI,0 | |
| OC1(C2(O)CCC2)CCC1,CI,0 | |
| O=[N+]([O-])c1ccc(C2OC3CC4C5CCCC5C3C4O2)cc1,CI,0 | |
| CN1COc2c(n(C)c(=O)[nH]c2=O)C1,CI,0 | |
| O=C1NC(=S)SC1=Cc1c[nH]c2ccccc12,CI,0 | |
| O=C(NCCCCCCNC(=O)NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1,CI,0 | |
| O=C1OC(=C2OCc3ccccc32)c2ccccc21,CI,0 | |
| O=C1c2ccccc2-c2oc(=O)c3ccccc3c21,CI,0 | |
| O=c1c(O)c(-c2ccc(-c3oc4ccccc4c(=O)c3O)cc2)oc2ccccc12,CI,0 | |
| COc1ccc(C2(OC)Oc3ccccc3-c3nc4ccccc4nc32)cc1,CI,0 | |
| O=C1C(=O)C(c2ccccc2)Oc2ccccc21,CI,0 | |
| O=S1(=O)CC2C1C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21,CI,0 | |
| O=S1(=O)C(=CC2CCCCC2)c2c1c(-c1ccccc1)c1ccccc1c2-c1ccccc1,CI,0 | |
| CC1(C)OC2OC(COC(=O)c3ccccc3)C(=O)C2O1,CI,0 | |
| O=C1c2ccccc2C(=O)N1OCCCCON1C(=O)c2ccccc2C1=O,CI,0 | |
| O=c1[nH]c2ncccc2c(=O)n1OS(=O)(=O)c1ccccc1,CI,0 | |
| Cn1ncc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c21,CI,0 | |
| Cn1cc2c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)nc-2[nH]1,CI,0 | |
| Cc1nc(O)c2c(n1)CN(C)CO2,CI,0 | |
| CN1COc2c(O)nc(-c3ccccc3)nc2C1,CI,0 | |
| Oc1nc(-c2ccccc2)nc2c1OCN(Cc1ccccc1)C2,CI,0 | |
| Cn1c2c(c(=O)[nH]c1=O)OCN(Cc1ccccc1)C2,CI,0 | |
| O=C(O)C(=Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2c(cc1Br)OCO2,CI,0 | |
| O=C1C(SCCO)=C(SCCO)C(=O)c2[nH]cnc21,CI,0 | |
| ClCCl.O=c1c(N(CCO)CCO)cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n1C(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| Nc1nc(O)c(CCCCc2ccccc2)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)n1,CI,0 | |
| C(=Nc1cnc2ccccc2c1)c1ccc2ccccc2n1,CI,0 | |
| C(=Nc1cccnc1)c1ccc2ccccc2n1,CI,0 | |
| C(=Nc1cnc2ccccc2c1)c1ccncc1,CI,0 | |
| C(=Nc1cnc2ccccc2c1)c1cccnc1,CI,0 | |
| C(=Nc1cnc2ccccc2c1)c1ccccn1,CI,0 | |
| C=CC1CN2CCC1CC2C(=O)c1ccnc2ccccc12,CI,0 | |
| COc1ccc(C23OC2Oc2cc(OC4CCCCO4)ccc2C3=O)cc1,CI,0 | |
| c1cc2c3c(c1)Ic1cccc(c1-3)I2,CI,0 | |
| O=C1NC(=O)C2C3C(C(O)(c4ccccc4)c4ccccn4)=CC(C3=C(c3ccccc3)c3ccccn3)C12,CI,0 | |
| COc1ccc(C=C2Cc3cccc4c([N+](=O)[O-])ccc2c34)cc1,CI,0 | |
| COc1ccc(-c2ccccc2)cc1SSc1cc(-c2ccccc2)ccc1OC,CI,0 | |
| CCOCC1c2ccccc2CCN1Cc1c[nH]c2ccccc12,CI,0 | |
| O=C(O)C12CC=CCC1(C(=O)O)CC=CC2,CI,0 | |
| O=C1C(=O)N2CCCCc3cccc1c32,CI,0 | |
| O=P(Nc1ccccn1)(N1CC1)N1CC1,CI,0 | |
| CNC1C(O)C(NC)C2OC3(O)C(=O)CC(C)OC3OC2C1O.O=S(=O)(O)O,CI,0 | |
| CN(C)c1ccc(C=CC=C2C=Cc3ccccc32)cc1,CI,0 | |
| CN1C2CCC1CC(OC(=O)C1CCC(C(=O)OC3CC4CCC(C3)N4C)(c3ccccc3)c3ccccc31)C2.O=S(=O)(O)O,CI,0 | |
| O=C1OC(=O)C2CC3C(CC12)C1(Cl)C(Cl)=C(Cl)C3(Cl)C1(Cl)Cl,CI,0 | |
| COc1ccc2c(c1)CCC2=CCC1(C)C(=O)CCC1=O,CI,0 | |
| c1ccc(CNN2CN(NCc3ccccc3)CN(NCc3ccccc3)C2)cc1,CI,0 | |
| CN1CN(C)N(C(=O)c2ccccc2)CN1C(=O)c1ccccc1,CI,0 | |
| CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CI,0 | |
| CN1CCCCCCCC(=O)C(OC(=O)c2ccc([N+](=O)[O-])cc2)CCCCCCC1,CI,0 | |
| OC12CCC[N+]1(Cc1ccccc1)CCC2.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| CN1CCCCCC(=NO)C(=NO)CCCCC1,CI,0 | |
| CC(=O)OC12CCCCC(CCCC1)O2,CI,0 | |
| C[N+]12CCCCC1CC(=O)CC2,CI,0 | |
| C1CCC(N2CSCSC2)CC1,CI,0 | |
| S=c1[nH]nc2scnn12,CI,0 | |
| COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2,CI,0 | |
| CC(=O)Nc1ccc(S(=O)(=O)N=C(C2CCCC2)N2CCCC2)cc1,CI,0 | |
| O=C(NNc1nc(Cl)nc(Cl)n1)c1ccccc1,CI,0 | |
| CC(=O)OC1CC2C(C)(C)CCCC2(C)C2C(=O)C(O)=C(C(C)C)C(=O)C12,CI,0 | |
| CN1CCCC1C(=O)c1oc(CO)cc(=O)c1O,CI,0 | |
| Cc1cc(=O)c2c(o1)C(=O)c1occc1C2=O,CI,0 | |
| CC(=O)Nc1ccc(C=NNC(=S)NC2CN3CCC2CC3)cc1,CI,0 | |
| CCOC(=O)C=C1C(=O)N(Cc2ccccc2)c2ccccc21,CI,0 | |
| Cn1c(=S)c2c(nc(SCCc3ccccc3)n2CCc2ccccc2)n(C)c1=O,CI,0 | |
| OC1(c2cccc3ccccc23)CCCc2cc3c(ccc4ccccc43)cc21,CI,0 | |
| c1ccc2sc(-c3c4ccccc4cc4c3ccc3ccccc34)cc2c1,CI,0 | |
| Cn1cnc2nc3ncn(C)c3cc21,CI,0 | |
| CCn1cnc2[nH]cc(C#N)c2c1=O,CI,0 | |
| CCOC(=O)C(C#N)(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1,CI,0 | |
| COc1ccc2c(c1)CCc1cnc(S)nc1-2,CI,0 | |
| O=C1CCc2nc3ccccc3c(=O)n21,CI,0 | |
| CN1CCc2c(sc(N)c2C#N)C1,CI,0 | |
| CN1C(=N)C(=NO)C(=O)N(C)C1=O,CI,0 | |
| Cc1ccc(C2(O)c3cccc4cccc(c34)C2(O)c2ccc(C)cc2)cc1,CI,0 | |
| COc1cc2ccccc2ccc1=NO,CI,0 | |
| S=C(NNc1ccccc1Oc1ccccc1)NNc1ccccc1Oc1ccccc1,CI,0 | |
| Cn1c(=O)c2nc(O)c(C(CO)C(=O)c3ccccc3)nc2n(C)c1=O,CI,0 | |
| C1CCNC1.O=C1Nc2ccccc2C1=Cc1cc(Cl)cc(Cl)c1O,CI,0 | |
| CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,CI,0 | |
| CN1CCC23c4ccccc4NC1C21CCN(C)C3Nc2ccccc21,CI,0 | |
| O=C1OC(=C(Cl)Cl)C2C3c4ccccc4C(c4ccccc43)C12,CI,0 | |
| O=C1CCCc2sccc21,CI,0 | |
| O=S1(=O)CCC(Br)c2ccccc2C1,CI,0 | |
| CC(C)COC(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1,CI,0 | |
| CC(=O)Nc1ccc(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)cn1,CI,0 | |
| O=P(Cc1ccccc1)(Cc1ccccc1)P(Cc1ccccc1)Cc1ccccc1,CI,0 | |
| Cc1ccc(S(=O)(=O)O)cc1.Oc1cnnc(O)n1,CI,0 | |
| Oc1cc2ccccc2c2sc(-c3ccccc3)c(-c3ccccc3)[n+]12.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| CN(C)c1ccc(C=Cc2cc[n+]3cc(-c4ccccc4)sc3n2)cc1.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| [O-][Cl+3]([O-])([O-])O.c1ccc(-c2csc3[nH]c4ccccc4[n+]23)cc1,CI,0 | |
| O=S(=O)(O)c1cccc2c1CN1CCCCC1C2,CI,0 | |
| [O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)sc1scc[n+]12,CI,0 | |
| Cc1nc2c(S)ncnc2n1Nc1ccccc1,CI,0 | |
| CC1(CO)CCCC2(C)C1CCC1CC3C=CC12C1C(=O)OC(=O)C31,CI,0 | |
| NC(=O)C1C2CC3C(NC(=O)C31)C2O,CI,0 | |
| O=C1OC(=O)C2C3CC(C12)C1C3N1S(=O)(=O)c1ccccc1,CI,0 | |
| O=C(O)C1C2CC(C1C(=O)O)C1C2N1S(=O)(=O)c1ccccc1,CI,0 | |
| N#CC1(C#N)C(C#N)(C#N)C12CCCCCC2,CI,0 | |
| Cc1c(C)c(C)c2c(c1C)CC2=NO,CI,0 | |
| O=C1NC(=O)C2(CC2)N1,CI,0 | |
| ClC(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(C(Cl)(c3ccccc3)c3ccccc3)c2)c1,CI,0 | |
| N#CC1=C(N)C(C#N)(C#N)C2(CCCC2)C2CCC=C12,CI,0 | |
| CC1(C)CCCOc2ccc(C(=O)O)cc21,CI,0 | |
| NC(=O)C12C(=O)NC(=O)C1(C(=O)O)C2C1CCCCC1,CI,0 | |
| N#CC12C(=O)NC(=O)C1(C#N)C2c1ccccc1,CI,0 | |
| CC(C)=C1C(=O)NC(=O)C1C(N)=O,CI,0 | |
| Cc1ccc(S[S+](C)c2ccc(C)cc2)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)c([N+](=O)[O-])c1,CI,0 | |
| O=C(O)C(CCSSCCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0 | |
| O=C(Nc1ccc(Cl)c(Cl)c1)OCCN1c2ccccc2Sc2ccccc21,CI,0 | |
| Cn1c(=O)c([N+](=O)[O-])c2[nH]ncn2c1=O,CI,0 | |
| Oc1c(N=Nc2ccccc2)c2cccc3ccc4cccc1c4c32,CI,0 | |
| COc1ccc(C2c3ccccc3C3(O)CC2CC(=O)O3)cc1,CI,0 | |
| Cc1ccc2c(c1)C(=O)CC1CC(=O)c3ccccc3C21,CI,0 | |
| C1CCC(OCC2(COC3CCCCO3)CCCCO2)OC1,CI,0 | |
| Clc1ccc(C(=C=C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc2)cc1,CI,0 | |
| CCOC(=O)c1sc(SSc2nc(C)c(C(=O)OCC)s2)nc1C,CI,0 | |
| O=C1C[N+]23CCO[Fe-4]245(O1)OC(=O)C[N+]4(CC3)CC(=O)O5,CI,0 | |
| N=C1NC(=O)C(=NO)C(=O)N1,CI,0 | |
| CC1CC(O[Ti](OC2CC(C)CC(C)(C)C2)(OC2CC(C)CC(C)(C)C2)OC2CC(C)CC(C)(C)C2)CC(C)(C)C1,CI,0 | |
| O=C1CCC2(O1)c1ccc(O)cc1Oc1cc(O)ccc12,CI,0 | |
| Oc1cnc2c(ccc3ccccc32)n1,CI,0 | |
| CN1CCCC1c1cccnc1.O=C(O)C(O)C(O)C(=O)O,CI,0 | |
| CC1CC[Si](C)(C)CC12C(=O)NC(=O)NC2=O,CI,0 | |
| C[Si]1(C)CCCSC1,CI,0 | |
| O=C(NC(CSC(c1ccccc1)c1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1,CI,0 | |
| c1ccc(SSc2ccc3ccccc3c2)cc1,CI,0 | |
| CC1=CC(C)(C)Nc2ccccc2N1,CI,0 | |
| CC1CN(c2ccccc2)NC1=O,CI,0 | |
| C1CCC(CSSCC2(N3CCCC3)CCCCC2)(N2CCCC2)CC1.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| O=C1C2C3CCC(C3)C2S(=O)(=O)C2C3CCC(C3)C12,CI,0 | |
| CCN1CCCCC(=NO)C(=NO)CCCC1,CI,0 | |
| O=C1CCN2CCCC1C2,CI,0 | |
| O=c1[nH]c(=O)c2ccc3c(=O)[nH]c(=O)c4ccc1c2c43,CI,0 | |
| CCCCSc1nc2c(O)nnc(O)c2n1Cc1ccccc1,CI,0 | |
| CCSc1nc2c(=S)n(C)c(=S)n(C)c2[nH]1,CI,0 | |
| Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c1=O,CI,0 | |
| CC1CCC2(CCN(CCCN(C)C)CC2)C1,CI,0 | |
| CCOc1ccc2nc(NC(=O)C3C4CCC(O4)C3C(=O)O)sc2c1,CI,0 | |
| O=C(Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(C5=NCCN5)cc4)cc(C4=NCCN4)c3)cc(C3=NCCN3)c2)cc(C2=NCCN2)c1)c1ccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc(C6=NCCN6)cc5)cc(C5=NCCN5)c4)cc(C4=NCCN4)c3)cc(C3=NCCN3)c2)cc1,CM,1 | |
| O=C(Nc1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)cc(C2=NCCN2)c1)c1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(C4=NCCN4)cc3)cc(C3=NCCN3)c2)cc1,CM,1 | |
| O=C1OC2C(I)C3CC2C1C3c1ccccc1,CI,0 | |
| O=C(NCCCN1CCN(CCCNC(=O)c2ccc(N=Nc3ccccc3)cc2)CC1)c1ccc(N=Nc2ccccc2)cc1,CI,0 | |
| O=C1CNCCCN2CCN(CCCNCC(=O)Nc3ccc(cc3)S(=O)(=O)c3ccc(cc3)NC(=O)CNCCCN3CCN(CCCNCC(=O)Nc4ccc(cc4)S(=O)(=O)c4ccc(cc4)N1)CC3)CC2,CI,0 | |
| CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.NCCCN1CCN(CCCN)CC1,CI,0 | |
| OC(CCN1CCCCCC1)(Cc1ccccc1)c1ccccc1,CI,0 | |
| CCOc1ccc(C(=O)CCN2CCC3CCC(C3)C2)cc1,CI,0 | |
| OC(CCN1CC2CCC(CC2)C1)(Cc1ccccc1)c1cccs1,CI,0 | |
| [N-]=[N+]=C1N=CN=C1c1ncn[nH]1,CI,0 | |
| Nc1nc(O)c2nc(COc3ccccc3)ncc2n1,CI,0 | |
| CCOC(=O)c1c(N)nnc(-c2ccccc2)c1-c1ccccc1,CI,0 | |
| FB(F)F.O=[N+]([O-])c1ccccc1P1(=O)OCCO1,CI,0 | |
| O=C(NC(CSSCC(NC(=O)c1cnc2ccccc2n1)C(=O)O)C(=O)O)c1cnc2ccccc2n1,CI,0 | |
| O=P(Nc1ncccn1)(Oc1ccccc1)Oc1ccccc1,CI,0 | |
| CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)CC21,CI,0 | |
| CC1(C)SC(N)=N[B-]12OC(=O)CC(=O)O2,CI,0 | |
| CC1C2=CC(=O)CCC(C)(O2)C2CCC3(C)C(=O)CCC3C12,CI,0 | |
| CC1C2=CC(=O)CCC(C)(O2)C2CCC3(C)C(O)CCC3C12,CI,0 | |
| CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,CI,0 | |
| OCC1C(CO)C2CCC1C2(Cc1ccccc1)Cc1ccccc1,CI,0 | |
| OCC1C(CO)C2CCC1C2(c1ccccc1)c1ccccc1,CI,0 | |
| O=C(O)c1ccccc1C(=O)OC1CC2CC1C1OCC21,CI,0 | |
| c1ccc(N2N=NC3C4CC(C5COCC54)C32)cc1,CI,0 | |
| CC1(C)C2C3CCC2C2C[S+]1CC23,CI,0 | |
| c1ccc(Oc2ncnc3ccccc23)cc1,CI,0 | |
| Cn1cnc(=S)c2ccccc21,CI,0 | |
| Cn1cnc2ccccc2c1=S,CI,0 | |
| O=C(NCCCN1CCN(CCCNC(=O)Nc2cc(Cl)ccc2Cl)CC1)Nc1cc(Cl)ccc1Cl,CI,0 | |
| O=C(NCCCN1CCN(CCCNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1)Nc1ccc(N=Nc2ccccc2)cc1,CI,0 | |
| O=C1C=CC2(CCC23C=CC(=O)O3)O1,CI,0 | |
| O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3,CI,0 | |
| CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(C)C,CI,0 | |
| O=c1ccs[nH]1,CI,0 | |
| COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(OC1OC(C)C(O)C(O)C1OC)C(OC)C(C)(O)C3=O,CI,0 | |
| O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1,CI,0 | |
| CC1OC(OC2CCC3(C=O)C4CCC5(C)C(c6ccc(=O)oc6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O,CI,0 | |
| Cc1ccc(S(=O)(=O)OC2C3OC(C)(C)OC3OC2C2CSC(=S=O)S2)cc1,CI,0 | |
| CC1(C)OC2OC(C(O)CO)C(OC(=S)SSC(=S)OC3C(C(O)CO)OC4OC(C)(C)OC43)C2O1,CI,0 | |
| CC1(C)OC2OC(COC(=S)SSC(=S)OCC3OC4OC(C)(C)OC4C4OC(C)(C)OC34)C3OC(C)(C)OC3C2O1,CI,0 | |
| CC1(C)OCC(C2OC3OC(C)(C)OC3C2OC(=S)SSC(=S)OC2C(C3COC(C)(C)O3)OC3OC(C)(C)OC32)O1,CI,0 | |
| CC1(C)OC2OC3C4COC(SSC56OCC(O5)C5OC7OC(C)(C)OC7C5O6)(O4)OC3C2O1,CI,0 | |
| O=C1C(OC(=O)c2ccccc2)=C(c2ccc(O)cc2)C(=O)C(OC(=O)c2ccccc2)=C1c1ccc(O)cc1,CI,0 | |
| CC1(C)C2CCC13CC(=O)OC3C2,CI,0 | |
| c1cc(CCSSCCc2ccncc2)ccn1,CI,0 | |
| c1cc(CSSCc2ccncc2)ccn1,CI,0 | |
| Cn1c2ccccc2c2c3c(ccc21)C(=O)N(c1ccccc1)C3=O,CI,0 | |
| Cn1c2ccccc2c2c3c(ccc21)C(=O)c1ccccc1C3=O,CI,0 | |
| CN(C)CCCN1CCC2(CCSCC2)C1,CI,0 | |
| CC12CCC(C)(O1)C1C(=O)N(c3nccs3)C(=O)C12,CI,0 | |
| C1CN(P(N2CCOCC2)N2CCOCC2)CCO1,CI,0 | |
| Oc1nnc(O)c2c1nc(SCc1ccc(Br)cc1)n2Cc1ccccc1,CI,0 | |
| Oc1nc(S)nc2c1CN(CCCN1CCOCC1)CN2,CI,0 | |
| OC(C1=CC(=Cc2ccncc2)c2ccccc21)c1ccncc1,CI,0 | |
| CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1,CI,0 | |
| CC1=CC(=O)Nc2cncnc2N1,CI,0 | |
| CC1(C)OC1COc1c2occc2cc2ccc(=O)oc12,CI,0 | |
| O=C1O[Cu-3]2(Oc3c1cc1ccccc1c3Br)Oc1ccc([N+](=O)[O-])c3ccc[n+]2c13,CI,0 | |
| COC(=O)C1(C)C=CC(=O)C2(C)C1C(O)C1OC3CC(c4ccoc4)C(C)=C3C1(C)C2CC(=O)O,CI,0 | |
| CC1=CCC(=O)C2(C)C1C(O)C1OC3CC(c4ccoc4)C(C)=C3C1(C)C2CC(=O)O,CI,0 | |
| CN1CCC2(CC1)OCCN2CCO,CI,0 | |
| CC1=NNC(=S)NCCCN2CCN(CCCNC(=S)NN=C(C)C=NNC(=S)NCCCN3CCN(CCCNC(=S)NN=C1)CC3)CC2,CI,0 | |
| O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)CC1O,CI,0 | |
| Nc1nc(N)c(CCCCc2ccccc2)c(Cc2ccccc2)n1,CI,0 | |
| C(=NN=C(NN=CC1CNCCN1)NN=CC1CNCCN1)C1CNCCN1,CI,0 | |
| COc1cc2c(c(OC)c1OC)C1CCCCC1SCC2O,CI,0 | |
| O=S1(=O)C=Cc2ccccc2CC1,CI,0 | |
| O=C1c2ccccc2C(=O)c2c1cccc2-n1nnc2cc(Cl)c(Cl)cc21,CI,0 | |
| CC1(C)OCC2OC(n3cnc4c(N)nc(Cl)nc43)C(OS(C)(=O)=O)C2O1,CI,0 | |
| C1=CC2CCC1C1CN(CCCN3CCOCC3)CC21,CI,0 | |
| Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccccc1,CI,0 | |
| CC1(O)CCC2C3CCC4CC(O)C5CC4(CO5)C3CCC21C,CI,0 | |
| CCCCCCCCCCCc1c(O)c(=O)c2c(oc3c(=O)c(CCCCCCCCCCC)c(O)c(=O)c3n2-c2ccc(N(C)C)cc2)c1=O,CI,0 | |
| O=C1CCC(=O)N1N1C(=O)CCC1=O,CI,0 | |
| O=C1NC(=S)NC(=O)C1=Cc1ccc(Cl)c(Cl)c1,CI,0 | |
| S=C(Nc1cccc2ccccc12)NN1CCCCCC1,CI,0 | |
| Cc1cc2c3c(coc3c1-c1c(C)cc3c4c(coc14)C(=O)C(O)=C3C(C)C)C(=O)C(O)=C2C(C)C,CI,0 | |
| Cc1nccnc1N1CCCCC1.O=S(=O)(O)O,CI,0 | |
| c1ccc(CN2COc3ccc4c5c(ccc4c3C2)OCN(Cc2ccccc2)C5)cc1,CI,0 | |
| Oc1ccc2ccc3c(c2c1)CN(Cc1ccccc1)CO3,CI,0 | |
| CS(=O)(=O)OC1C(COC(=O)c2ccccc2)OC2C1Oc1nc(=O)ccn12,CI,0 | |
| CC1(C)SC2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1C(=O)O,CI,0 | |
| O=C(Nc1ccc(C2=NCCN2)cc1)c1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)ncn1,CM,1 | |
| CC(C)CC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)N(C)C(=O)C(C)NC(=O)C(C(C)C(C)C)N(C)C(=O)CN(C)C(=O)C2CC(O)CN2C1=O,CI,0 | |
| CCP1(=S)Nc2ccccc2N1C,CI,0 | |
| Sc1ccccc1-n1c(-c2ccccc2)ccc1-c1ccccc1,CI,0 | |
| CSc1nc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c2n1Cc1ccccc1,CI,0 | |
| O=C1N=NC(Cl)c2ccccc21,CI,0 | |
| c1cnc2nc3c4ccccc4c4ccccc4c3nc2c1,CI,0 | |
| NC1=NC(c2ccccc2)=CC=C(c2ccccc2)N=N1,CI,0 | |
| O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1,CM,1 | |
| O=C1c2cc(Oc3ccccc3)c(S(=O)(=O)O)c(S(=O)(=O)O)c2C(=O)c2c(O)ccc(O)c21,CI,0 | |
| c1ccc(C2=C(c3ccccc3)N=NC(c3ccccc3)=C(c3ccccc3)N=N2)cc1,CI,0 | |
| Cc1nccn1Cc1c(N)nc(N)nc1O,CI,0 | |
| CC1=CC(O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)OC(C(C)C)C(C)C=CC(=O)NCC=C1,CI,0 | |
| O=C1C2N=NN(c3ccccc3)C2C(=O)N1c1ccccc1,CI,0 | |
| CCN(CC)C1=CC(=O)n2cccc21,CI,0 | |
| O=C(CC(c1ccc2c(c1)OCO2)N1CCN(C(CC(=O)c2ccc(Br)cc2)c2ccc3c(c2)OCO3)CC1)c1ccc(Br)cc1,CI,0 | |
| O=[N+]([O-])c1cnc(NP(=O)(NC2CCCCC2)NC2CCCCC2)nc1NC1CCCCC1,CI,0 | |
| CC(=O)NC1NCCNC1=O,CI,0 | |
| COc1cc(C(c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2NC(C)=O)c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2NC(C)=O)ccc1O,CI,0 | |
| Cc1nc2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O,CI,0 | |
| N#CC1=C(NC(=O)Nc2ccccc2)NC(=S)NN1,CI,0 | |
| CC1=C2C=CC(=O)N2C2C(N1)C(=O)N(C)C(=O)N2C,CI,0 | |
| CN=c1ncc2nc(-c3ccccc3)c(-c3ccccc3)n(C)c-2n1,CI,0 | |
| N=c1c2c(ncn1N)CCN(Cc1ccccc1)C2,CI,0 | |
| O=C1Nc2ccccc2N2C(=O)CCC12,CI,0 | |
| C(=Cc1ccc2ccccc2n1)c1cccnc1,CI,0 | |
| C(=Cc1ccnc2ccccc12)c1cccnc1,CI,0 | |
| O=C(Oc1ccc(OC(=O)c2ccccc2)c(C(=O)c2ccccc2)c1C(=O)c1ccccc1)c1ccccc1,CI,0 | |
| ClC1(c2ccccc2)c2ccc(Br)cc2-c2cc(Br)ccc21,CI,0 | |
| O=P1(Nc2ccc(C=C3C=Cc4ccccc43)cc2)NCCCO1,CI,0 | |
| CN(c1ccc(C=Cc2ccccc2)cc1)P1(=O)NCCCO1,CI,0 | |
| C1=Cc2ccccc2C1=Cc1ccc2c(c1)OCO2,CI,0 | |
| Cc1cc(C=Cc2cc[n+](C)c3ccccc23)c(O)c2ncccc12,CI,0 | |
| O=[N+]([O-])c1ccc(Ic2ccccc2)cc1,CI,0 | |
| O=C(Nc1ccc(Cl)c(Cl)c1)OCC#CCOC(=O)Nc1ccc(Cl)c(Cl)c1,CI,0 | |
| S=c1sc2ccccc2n1CNc1ccccc1Cl,CI,0 | |
| CCOC(=O)C1C2CCC(C2=C(c2ccccc2)c2ccccc2)C1C(=O)O,CI,0 | |
| CC(C)=C1C2CCC1C(CO)C2CO,CI,0 | |
| O=C(Oc1ccccc1)C(c1ccccc1)c1ccccc1,CI,0 | |
| C1C2CC3C1C1C[S+]3CC21,CI,0 | |
| CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1,CI,0 | |
| CC(=O)C1CCC2C3CC4OCC5(CCC(O)CC45Br)C3CCC12C,CI,0 | |
| COC1=CC=C2CC(=C1)CCC1C2CCC2(C)C(=O)CCC12,CI,0 | |
| O=C1OCC2Cc3sccc3C(c3ccccc3)=C12,CI,0 | |
| C1CCN(CCCSSCCCN2CCCCC2)CC1,CI,0 | |
| Cc1ccc(S(=O)(=O)SSSSS(=O)(=O)c2ccc(C)cc2)cc1,CI,0 | |
| Cc1c(S(=O)c2cc(C(C)(C)C)c(O)c(CN3CCCC3)c2C)cc(C(C)(C)C)c(O)c1CN1CCCC1,CI,0 | |
| O=C1NCN(C2CCCCC2)CN1,CI,0 | |
| CN(CC1=C(O)C(=O)C(CN(C)Cc2c(O)ccc3ccccc23)=C(O)C1=O)Cc1c(O)ccc2ccccc12,CI,0 | |
| CCc1n[nH]c(-c2ccc(OC)cc2)c1-c1ccccc1O,CI,0 | |
| Nc1ccccc1-c1cc[nH]n1,CI,0 | |
| O=C1CS(=O)(=O)C2(CCCCC2)C(=O)N1,CI,0 | |
| CC(C)(C)c1ccc(C2(Br)C(=O)NC(=O)C2=O)cc1,CI,0 | |
| CCC1(c2ccccc2)OCC(=O)NC1=O,CI,0 | |
| CN1CC2=C(NCNS2(=O)=O)N(C)C1,CI,0 | |
| CNc1nc(SC)nc2c1S(=O)(O)=NC=N2,CI,0 | |
| CSc1nc(N)c2c(n1)N(C)C=NS2(=O)=O,CI,0 | |
| N=C1N(c2ccccc2)C(=O)CC(=O)N1c1ccccc1,CI,0 | |
| N=C1C(=O)NC(=O)C1c1ccccc1,CI,0 | |
| C=C1C(=O)OC2C1CCC(C)C1C=CC(=O)C12C,CI,0 | |
| CNC(=O)c1ccc(NC(=O)Nc2cccc(C3=NCCN3)c2)cc1NC(=O)Nc1cccc(C2=NCCN2)c1,CM,1 | |
| Cc1nc(N)nc2c1CCC(O)S2,CI,0 | |
| CCC1(CCO)C(=O)N=C(Nc2ccccc2)NC1=O,CI,0 | |
| OC(c1ccccc1)(c1ccccc1)C1CC1c1ccncc1,CI,0 | |
| CCN1C(=O)C(=O)OC1=C(c1ccccc1)c1ccccc1,CI,0 | |
| O=P1(NC2CCCC2)OCC2(CO1)COP(=O)(NC1CCCC1)OC2,CI,0 | |
| O=C1C(=O)c2c(nc3ccccn23)-c2ccccc21,CI,0 | |
| CCOC(=O)N(CCCCCCNC(c1ccccc1)S(=O)(=O)O)c1ccccc1,CI,0 | |
| CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21,CI,0 | |
| O=c1oc(=O)c2ccc3c(=O)oc(=O)c4ccc1c2c43,CI,0 | |
| Cc1cc(O)nc2[nH][nH]c(=O)c12,CI,0 | |
| O=C1CCCCCN1c1ccccn1,CI,0 | |
| O=C1OC(=O)C2C1CC1C(=O)OC(=O)C12,CI,0 | |
| Nc1nc(N)c(N=Nc2ccc(S(=O)(=O)NC(=O)c3ccccc3)cc2)c(O)n1,CI,0 | |
| CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OC(C1Nc3cc(C(C)(C)C)cc(C(C)(C)C)c3O1)N2,CI,0 | |
| Oc1c(C(Nc2cccc3cccnc23)c2ccccc2)ccc2cccnc12,CI,0 | |
| O=P1(Cl)OCC2(CO1)COP(=O)(Cl)OC2,CI,0 | |
| O=P1(N2CCCCC2)OCC2(CO1)COP(=O)(N1CCCCC1)OC2,CI,0 | |
| c1ccc([PH](CCCCCCCCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| c1ccc([PH](CCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| c1ccc([PH](CCCCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| c1ccc([PH](CCOCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| c1ccc(OCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c(NNc2ccccc2)c1NNc1ccccc1,CI,0 | |
| CN(N=NN(C)c1ccccc1)c1ccccc1,CI,0 | |
| Nc1cc(=O)[nH]c(=S)n1-c1ccc(Cl)cc1,CI,0 | |
| O=C1C(C2CCCCC2)CCCC1(CO)CO,CI,0 | |
| COc1c2c(c3c(c1CCC(=O)O)OC(C)(C)C=C3)OC(C)(C)C=C2,CI,0 | |
| CC1(C)Oc2cc3oc(=O)ccc3c3c2C2C1CCC(C)(O3)C2O,CI,0 | |
| ON=C1CN2CCC1CC2,CI,0 | |
| O=C(COc1ccc(Cl)cc1)OC1CN2CCC1CC2,CI,0 | |
| c1nc2c([nH]1)CCNC2c1ccc2c(c1)OCO2,CI,0 | |
| O=C(O)C1CSC(c2cccs2)N1,CI,0 | |
| COc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OC)cc2)cc1,CI,0 | |
| Brc1ccc2[nH]cc(C=NN3CCCCCC3)c2c1,CI,0 | |
| O=C1Nc2ccccc2C1=NN1CCCCCC1,CI,0 | |
| O=[N+]([O-])c1ccc(C=Cc2c[n+]([O-])nc3ccccc23)cc1,CI,0 | |
| Nc1cnn2nnnc2c1Cl,CI,0 | |
| Clc1cnnc2[nH]cnc12,CI,0 | |
| CNC(=NCCCN1CCOCC1)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NCCCN4CCOCC4)NC)cc3)cc2)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)SCCCSS(=O)(=O)c2ccc(C)cc2)cc1,CI,0 | |
| CC1(C)SC2C(NC(=O)C3(N)CCCC3)C(=O)N2C1C(=O)O,CI,0 | |
| C1CCC2(CC1)C[N+]1(CCCC1)C1(CCC1)O2.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| CC1(C)C[N+](C)(C)C2(CCCC2)O1.[O-][Cl+3]([O-])([O-])O,CI,0 | |
| CSc1ncnc2[nH]c(C(O)c3ccccc3)nc12,CI,0 | |
| c1cc2c3c(c1)ccc[n+]3[Mn]1(O2)Oc2cccc3ccc[n+]1c23,CI,0 | |
| c1cc(C2N3CCCN2CC3)ccn1,CI,0 | |
| CC1=[O+][Mn]23([O+]=C(C)C1)([O+]=C(C)CC(C)=[O+]2)[O+]=C(C)CC(C)=[O+]3,CI,0 | |
| CCC(C)C1NC(=O)C(C(C)=O)=C1O.c1ccc(CNCCNCc2ccccc2)cc1,CI,0 | |
| c1ccc(-c2c(-c3ccccc3)c2=NN(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21,CI,0 | |
| O=c1c2c(sc3ccccc13)CCC2,CI,0 | |
| O=S1(=O)CC(=CN2CCOCC2)c2ccccc21,CI,0 | |
| CC1CC(C)(C)S(=O)(=O)O1,CI,0 | |
| O=C1OC(=O)c2cc3c(cc21)C(=O)OC3=Cc1ccccc1,CI,0 | |
| Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N,CI,0 | |
| CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,CI,0 | |
| CC1(C)CC2(CC(C)(C)c3cc(O)c(O)cc32)c2cc(O)c(O)cc21,CI,0 | |
| COC1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1NC(C)=O,CI,0 | |
| Clc1ccccc1C=C1c2ccccc2-c2nc3ccccc3nc21,CI,0 | |
| ON=C1c2ccccc2-c2nc3ccccc3cc21,CI,0 | |
| CC1(C)c2ccccc2-c2nc3ccccc3c3c2C1OC3=O,CI,0 | |
| CC1(C)CC2C(=O)c3ccccc3NC2c2ccccc21,CI,0 | |
| CC1(C)C(=O)c2cc3ccccc3nc2-c2ccccc21,CI,0 | |
| CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C,CI,0 | |
| O=C(C=Cc1ccc(C=CC(=O)Nc2cccc(C3=NCCCN3)c2)cc1)Nc1cccc(C2=NCCCN2)c1,CI,0 | |
| Brc1ccc(C[N+]23CN4CN(CN(C4)C2)C3)cc1,CI,0 | |
| Cc1n(CC(C)C)c2c([n+]1CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1C2=O,CI,0 | |
| Cc1n(C)c2c([n+]1Cc1ccccc1)C(=O)c1ccccc1C2=O,CI,0 | |
| COC1OCC(SC(=O)c2ccccc2)C(O)C1O,CI,0 | |
| O=P(N1CC1)(N1CC1)N1CCN(P(=O)(N2CC2)N2CC2)CC1,CI,0 | |
| O=C1NC(=O)C(CCN2CCCCC2)(c2ccccc2)C(=O)N1,CI,0 | |
| CN(C)c1ccc(C=C2C=Nc3ccccc32)cc1,CI,0 | |
| Cc1cc(NC(=O)c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1,CM,1 | |
| Cc1cc(N=Nc2ccc(Sc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)O)cc2)c1N,CI,0 | |
| Cc1cc(NS(=O)(=O)c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1,CM,1 | |
| O=C(O)C1C2C=CC(C(C=Cc3ccccc3)N2)C1C(=O)O,CI,0 | |
| CCC(=O)OC1CCC2C3CCC(=O)OC3C(C)(CCC(=O)O)CC12C,CI,0 | |
| c1ccc2c(c1)Cc1ccccc1-c1c-2[nH]c2ccccc12,CI,0 | |
| [O-][n+]1nc2ccccc2c2ccccc21,CI,0 | |
| N=c1c2ccccc2c2ccccc2n1O,CI,0 | |
| O=C(CNC1=NCCN1)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)CNC4=NCCN4)cc3)cc2)cc1,CM,1 | |
| O=C(CCCl)N1CCN(C(=O)CCCl)c2c1c1ccccc1c1ccccc21,CI,0 | |
| O=C1OC2(CCCCC2)c2ccccc21,CI,0 | |
| O=C1OC2(c3ccccc31)c1ccccc1-c1ccccc12,CI,0 | |
| c1ccc(C2OC23CCCCC3)cc1,CI,0 | |
| Nc1ccc(C=Cc2cccc3cccnc23)cc1,CI,0 | |
| Nc1ccc(C=Cc2ccc3cccnc3c2)cc1,CI,0 | |
| Nc1ccc(C=Cc2ccc3ncccc3c2)cc1,CI,0 | |
| N=C1NC2=C(CN(Cc3ccccc3)C2=O)C(c2ccccc2)N1,CI,0 | |
| Nc1nc(N)c2c(n1)C(=O)N(Cc1ccccc1)C2,CI,0 | |
| CC(Cl)CN1COc2c3c(c4ccccc4c2C1)CN(CC(C)Cl)CO3,CI,0 | |
| c1ccc(CN2COc3c(c4c(c5ccccc35)OCN(Cc3ccccc3)C4)C2)cc1,CI,0 | |
| c1ccc(CN2COc3c(ccc4c5c(ccc34)CN(Cc3ccccc3)CO5)C2)cc1,CI,0 | |
| O=C(CNC(=O)Nc1ccc(NC(=O)NCC(=O)Nc2ccc(C3=NCCN3)cc2)cc1)Nc1ccc(C2=NCCN2)cc1,CM,1 | |
| CCc1nc2ccccn2n1,CI,0 | |
| Cc1cc(C)n2c(C)nnc2c1,CI,0 | |
| N=c1[nH]n2cnnc2s1,CI,0 | |
| Cc1ccc(S(=O)(=O)NC(=N)NCCCC(NC(=O)OCc2ccccc2)C(=O)NC2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)cc1,CI,0 | |
| COc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)c(OC)cc1N=Nc1ccc(N=Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)c(C)c1,CA,1 | |
| Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3C)c(S(=O)(=O)O)cc2c1,CA,1 | |
| Cc1cc(N=Nc2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1N=Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1,CM,1 | |
| Cc1cc(N=Nc2ccc(C(=O)Nc3ccc4cc(S(=O)(=O)O)ccc4c3)cc2)c(N)c(N=Nc2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)c1N,CA,1 | |
| Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3C)c(S(=O)(=O)O)cc2c1,CA,1 | |
| COc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)c(C)cc1N=Nc1cc(S(=O)(=O)O)c(NC(=O)c2ccc(N)cc2)cc1NC(C)=O,CA,1 | |
| Oc1ccc2c(c1)CC[N+]1=C2CCC2CCCC21,CI,0 | |
| c1ccc([PH](Cc2ccccc2C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| Cc1c(C(c2[nH]c3ccccc3c2C)c2[nH]c3ccccc3c2C)[nH]c2ccccc12,CI,0 | |
| C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C12,CI,0 | |
| CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21,CI,0 | |
| CC(C)N1CCOC12CCCC2,CI,0 | |
| COc1ccc2c(c1)OC(=O)CC2c1ccc(OC)c(OC)c1,CI,0 | |
| CN1CCN=C1c1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(C4=NCCN4C)cc3)cc2)cc1,CI,0 | |
| CN(C)C(=Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N=C(Nc4ccccc4)N(C)C)cc3)cc2)cc1)Nc1ccccc1,CI,0 | |
| [O-][n+]1c2c([n+]([O-])c3c4ccccc4ccc31)-c1cccc3cccc-2c13,CI,0 | |
| C(=Cc1c[nH]c2ccccc12)c1nccc2ccccc12,CI,0 | |
| O=C(O)c1ccc2c[n+]3ccccc3cc2c1,CI,0 | |
| c1ccc(P(OCCCCOP(c2ccccc2)c2ccccc2)c2ccccc2)cc1,CI,0 | |
| O=P(c1ccccc1)(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1,CI,0 | |
| O=C1c2ccccc2C(=O)N1CCS(=O)(=O)CCS(=O)(=O)CCN1C(=O)c2ccccc2C1=O,CI,0 | |
| CC(C)=C1CCC(C)CC1=NNC(N)=S,CI,0 | |
| CC1(C)COP(Oc2ccccc2)OC1,CI,0 | |
| Nc1ncn(Cc2ccccc2)c2ncnc1-2,CI,0 | |
| COC1=C(N)C(=O)C2=C(CCC(c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)N2)C1=O,CI,0 | |
| C(=Cc1c[nH]c2ccccc12)c1ccc2ccccc2n1,CI,0 | |
| S=C(NCCNC(=S)S[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)S[Sn](c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| O=P1(C(c2ccccc2)c2ccccc2)OC2CC(Cl)CC(C2)O1,CI,0 | |
| c1ccc(-c2nc(-c3ccccc3)n3c(-c4ccccc4)nnc3n2)cc1,CI,0 | |
| S=c1[nH][nH]c2nc(=Nc3ccccc3)nc(Nc3ccccc3)n12,CI,0 | |
| NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1,CI,0 | |
| Cc1nnc2nc(-c3ccccc3)nc(-c3ccccc3)n12,CI,0 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC5(CCC4(C)C3CCC12C)NCCCS5,CI,0 | |
| COc1cc2c(cc1OC)[N+]1(C)CCC3OCCC4C[N+]5(C)CCC26C5CC4C3C61,CI,0 | |
| COc1cc2c(cc1OC)C13CC[N+]4(C)CC5CCOC6CCN2C1C6C5CC34,CI,0 | |
| Oc1ccccc1C=NNC(=S)Nc1ccc2c[nH]nc2c1,CI,0 | |
| NC1(C(=O)O)CCCC1c1ccccc1,CI,0 | |
| COc1ccc2c(c1)CCC1=C(C)C(=O)CCC12.COc1ccc2c(c1)CCC1=C2CCC(=O)C1C,CI,0 | |
| c1ccc2sc(SCN3CCN(CSc4nc5ccccc5s4)CC3)nc2c1,CI,0 | |
| Brc1cccc[n+]1Cc1cccc(C[n+]2ccccc2Br)c1,CI,0 | |
| Brc1cccc[n+]1Cc1ccccc1C[n+]1ccccc1Br,CI,0 | |
| C1CCN(C2OCCC2OC2OC3COC(N4CCCCC4)C3OC2N2CCCCC2)CC1,CI,0 | |
| Cc1ccc(C)n1N1CC(C)N(N=O)CC1C,CI,0 | |
| CC1CN(C(=O)OCC23COC4(C)CCC(C)(OC2)N34)CC(C)O1,CI,0 | |
| Cn1c(=O)oc(=O)c2ccccc21,CI,0 | |
| Cc1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1N=Nc1ccc(N=Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)c2cc(S(=O)(=O)O)ccc12,CM,1 | |
| CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CC(O)C43C)N2C1,CI,0 | |
| O=c1cccc2n1CC1CC2CN2CCCCC12,CI,0 | |
| N=c1[nH]nc2ccccn12,CI,0 | |
| Cc1cc(C)n2c(=O)[nH]nc2c1,CI,0 | |
| O=C(Nc1ccc(NC(=O)c2ccc(C3=NCCN3)cc2)cc1)Nc1ccc(C2=NCCN2)cc1,CI,0 | |
| c1ccc2sc(SCN3CCCCC3)nc2c1,CI,0 | |
| O=S(=O)(O)c1cc(O)c2c(N=Nc3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(Nc6ccccc6)ccc5c4O)c4ccccc34)cc(S(=O)(=O)O)cc2c1,CI,0 | |
| O=C1c2ccccc2C(=O)C1c1ccc2c(ccc3ccccc32)n1,CI,0 | |
| CS(=O)(=O)c1ccc(N2CC2)nn1,CI,0 | |
| O=C(Nc1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1)Nc1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1,CI,0 | |
| ClC1=NSC(Cl)=NS1,CI,0 | |
| CC1(O)CCC2(CCC(C)(O)CC2=O)C(=O)C1,CI,0 | |
| Clc1nnc(-c2ccccc2)s1,CI,0 | |
| O=C(CCC(=O)Nc1ccc(C2=NCCN2)cc1)Nc1ccc(C2=NCCN2)cc1,CI,0 | |
| CC12CCCC1C1CC=C3CC(SC4CCC5(C)C(=CCC6C7CCCC7(C)CCC65)C4)CCC3(C)C1CC2,CI,0 | |
| CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=NNC(N)=S)C1,CI,0 | |
| CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccccc1,CI,0 | |
| O=C(O)c1cc(-c2ccccc2)c(-c2ccccc2)cc1C(c1ccccc1)c1ccccc1,CI,0 | |
| Cc1cc(C)c(-c2c(O)c(O)c(-c3ccccc3)c3ccccc23)c(C)c1,CI,0 | |
| Cc1cc(C(=O)c2ccccc2)c2oc(-c3ccccc3)c(Cl)c(=O)c2c1,CI,0 | |
| O=C(Nc1ccc2oc(=O)c(C(=O)O)cc2c1)Oc1ccccc1,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3SSc3ccccc3N)c2c1O,CI,0 | |
| C(COC1CC2CC1C1CC3OC3C21)OCCOC1CC2CC1C1CC3OC3C21,CI,0 | |
| C1CCCC(N2N=NC3C4CC(C5N=NN(C6CCCCCC6)C45)C32)CC1,CI,0 | |
| N=C(NC(=N)Nc1cccc(S(=O)(=O)Nc2ncc(Cl)cn2)c1)Nc1ccc(Br)cc1,CI,0 | |
| O=C(CCN1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O,CI,0 | |
| O=C(OCCN1CCOCC1)c1cc2ccccc2oc1=O,CI,0 | |
| c1ccc2c(c1)c1ccccc1c1nccnc21,CI,0 | |
| CC[PH](CC)(C1=C(O)C(=O)C(Cl)=C(Cl)C1=O)c1ccccc1,CI,0 | |
| O=S(=O)(Cc1ccccc1)SCc1ccccc1,CI,0 | |
| COc1ccc(C=CC(CC(NO)c2ccc(OC)cc2)=NO)cc1,CI,0 | |
| Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1,CI,0 | |
| O=C(NCCCCCCNC(=O)c1ccccn1)c1ccccn1,CI,0 | |
| C1OC1CN1CCN(CC2CO2)CC1,CI,0 | |
| S=C(Nc1ccc2cn[nH]c2c1)Nc1ccc2cn[nH]c2c1,CI,0 | |
| CC12C(=O)OCC1C1CCC2C1,CI,0 | |
| CCC(=C(CC)c1ccc(OCCCN2CCCCC2C)cc1)c1ccc(OCCCN2CCCCC2C)cc1,CI,0 | |
| CC(C=NNc1ccc([N+](=O)[O-])cn1)=NNc1ccc([N+](=O)[O-])cn1,CI,0 | |
| O=C(CN1CCCCC1)c1ccc(CCc2ccc(C(=O)CN3CCCCC3)cc2)cc1,CI,0 | |
| C(=C(c1ccccc1)c1ccccc1)N1CCOCC1,CI,0 | |
| c1ccc2cc3c(cc2c1)Cn1c-3nc2ccccc21,CI,0 | |
| COc1cc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)ccc1Nc1ccccc1C(=O)O,CI,0 | |
| O=c1c2ccccc2nnn1N1CCOCC1,CI,0 | |
| O=P1(Cc2ccccc2)OC2CC(Cl)CC(C2)O1,CI,0 | |
| O=NN1CN2CN(C1)CN(N=O)C2,CI,0 | |
| CC(=O)C1=C(O)C(N)C2Cc3c(c(O)c4c(O)c(C)ccc4c3C)C(=O)C2(O)C1=O.CCCCCCCCCCCCOS(=O)(=O)O,CI,0 | |
| Cc1cc(C)nc(NC(=N)NCCc2ccccc2)n1,CI,0 | |
| O=C(CCc1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)cc1)Nc1ccc(C2=NCCN2)cc1,CA,1 | |
| N#CC1C(=N)Cc2ccccc2-c2ccccc21,CI,0 | |
| c1ccc2c(c1)Nc1ccccc1O2,CI,0 | |
| CCNC(=Nc1cccc(C2=NCCN2)c1)c1ccc(C(=Nc2cccc(C3=NCCN3)c2)NCC)cc1,CM,1 | |
| COc1cc2c(cc1OC)C13CCN4CC5CCOC6CC(=O)N2C1C6C5CC43,CI,0 | |
| CN1C2CCC1C(C(=O)O)C(O)C2.Cc1ccc(S(=O)(=O)O)cc1,CI,0 | |
| Cc1nc(N)nc(O)c1CCCNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1,CI,0 | |
| C[N+]1([O-])C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2,CI,0 | |
| O=C(N1CCCC1)C1(c2cccc(Cl)c2)CCNCC1,CI,0 | |
| C=CCc1ccccc1OP(=O)(Oc1ccc(C(C)(C)C)cc1)Oc1ccc(C(C)(C)C)cc1,CI,0 | |
| O=C(c1ccc(OC(=O)c2ccccc2O)cc1)c1ccc(OC(=O)c2ccccc2O)cc1,CI,0 | |
| Cc1ccc(N2CN(c3ccc(C)cc3)CC(C)(N)C2)cc1,CI,0 | |
| CC(CN1CCCC1)C(O)(Cc1ccccc1)c1ccc(Cl)cc1,CI,0 | |
| OC(CCN1CCOCC1)(c1cccc(Cl)c1)C1CCCCC1,CI,0 | |
| Oc1ccccc1C(Nc1nc2ccccc2s1)c1ccc2cccnc2c1O,CI,0 | |
| COC(=O)c1ccccc1NC(c1ccccn1)c1ccc2cccnc2c1O,CI,0 | |
| Cc1cccc(NP2(=O)NCCCN2)c1,CI,0 | |
| O=C(Nc1ccc(CC2=NCCCN2)cc1)c1ccc(C(=O)Nc2ccc(CC3=NCCCN3)cc2)cc1,CI,0 | |
| O=C(Nc1ccc(OCC2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(OCC3=NCCN3)cc2)cc1,CI,0 | |
| O=C(Nc1ccc(C2=NCCN2)cc1)C1CCC(C(=O)Nc2ccc(C3=NCCN3)cc2)CC1,CI,0 | |
| Cn1c(=O)c2c(=O)c(=O)[nH][nH]c2n(C)c1=O,CI,0 | |
| CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.N=C(N)SC(c1ccccc1)C(O)c1ccccc1,CI,0 | |
| CC(=O)C12OC(C)(c3ccco3)OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC12C,CI,0 | |
| COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC12,CI,0 | |
| CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=Nc2ccc3oc(=O)ccc3c2)cc1,CI,0 | |
| CCC1CN2CCC3(C(=O)Nc4ccccc43)C2CC1C(=COC)C(=O)OC,CI,0 | |
| CC1CN(C=O)CC(C)N1CCN1C(C)CN(C=O)CC1C,CI,0 | |
| CN(C)CCCN1CCC2(CCCCC2)CC1,CI,0 | |
| O=S1(=O)CCCCO1,CI,0 | |
| Brc1ccccc1-c1nnc(-c2cccc3ccccc23)o1,CI,0 | |
| NC1(C(=O)N2CCCC2C(=O)O)CCCC1,CI,0 | |
| O=C1NC2(CCCC2)C(=O)N2CCCC12,CI,0 | |
| Cn1c(=O)c2nc(SSc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)[nH]c2n(C)c1=O,CM,1 | |
| CC(C)C1=CC2=CCC3C(C)(COC(=O)COc4ccccc4)CCCC3(C)C2CC1,CI,0 | |
| Cc1ccc(S(=O)(=O)OC2COCOC2C2OCOC3COCOC32)cc1,CI,0 | |
| COc1ccc(C(O)C2c3c(cc4c(c3OC)OCO4)CCN2C)c(CO)c1OC.O=C(O)C(O)C(O)C(=O)O,CI,0 | |
| Cc1ccc2ccc(-c3cc4ccccc4s3)nc2c1,CI,0 | |
| Nc1nc(N)c(-c2cccc(C(F)(F)F)c2)c(Cc2cccc(C(F)(F)F)c2)n1,CI,0 | |
| CCOC(=O)C1OC1C1CCCc2ccccc21,CI,0 | |
| CN1C(=S)NC2C(O)C(O)C(CO)OC21,CI,0 | |
| OCC1OC(O)C(N=CC=Cc2ccccc2)C(O)C1O,CI,0 | |
| O=C(O)CS[As]1SCCS1,CI,0 | |
| [Se]=c1[nH]c2ccccc2o1,CI,0 | |
| O=C(CNC(=O)c1cnc2ccccc2n1)NCCCNC(=O)CNC(=O)c1cnc2ccccc2n1,CI,0 | |
| CC1CCC(C(C)C2C(O)CC3C4CCC5CC(O)CCC5(C)C4CCC32C)NC1,CI,0 | |
| [O-][n+]1ccccc1CCN(O)Cc1ccccc1,CI,0 | |
| CSc1nc(C)cc(Nc2ccc(O)c(CN3CCCCC3)c2)n1,CI,0 | |
| CCC1NC2CC3(C(=O)N(OC)c4ccccc43)C3CC1C2CO3,CI,0 | |
| C=C1CC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC2(C)C1(OC(C)=O)C(C)=O,CI,0 | |
| Cc1cc2c(c3oc(C4(C)OC4C4OC4C)cc(=O)c13)C(=O)c1c(O)c(C3CC(C)(N(C)C)C(O)C(C)O3)cc(C3CC(N(C)C)C(O)C(C)O3)c1C2=O,CI,0 | |
| Cn1cnc2ncnc-2c1N,CI,0 | |
| O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,CI,0 | |
| CCCCCCC1N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1,CI,0 | |
| O=P1(Nc2ccccc2)NCCCO1,CI,0 | |
| O=C1CCCC2C3CC(CN12)C1CC(O)CCN1C3,CI,0 | |
| O=C1C=Cc2cccc3c2c1nc1c(O)c2ccccc2cc13,CI,0 | |
| O=C1NC(=O)C(=Cc2cccnc2)C(=O)N1,CI,0 | |
| O=C(O)c1ccccc1C(=O)NC(Cc1cccc(NP(=O)(N2CC2)N2CC2)c1)C(=O)O,CA,1 | |
| CC(=NO)C1CCC2C3CCC4CC(=NO)CCC4(C)C3C(C)(O)CC12C,CI,0 | |
| COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1,CI,0 | |
| S=c1[nH]nc2ccccn12,CI,0 | |
| O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1,CI,0 | |
| CC1CNC(Cc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(CC5=NC(C)CN5)cc4)cc3)cc2)=N1,CI,0 | |
| CCCCN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,CI,0 | |
| Cl[Pd-4]12([S+]=c3nc[nH]c4[nH]cnc34)([S+]=C3N=CNc4[nH]c[n+]1c43)[S+]=C1N=CNc3[nH]c[n+]2c31,CI,0 | |
| c1ccc2sc(SN3CCOCC3)nc2c1,CI,0 | |
| CC(C(=O)O)[S+]1CCOCC1,CI,0 | |
| CC1=CC(=Nc2cccc3c(N=C4C=C(C)C(=O)O4)cccc23)OC1=O,CI,0 | |
| c1ccc(CN2CCC3(CC2)SSC2(CCN(Cc4ccccc4)CC2)S3)cc1,CI,0 | |
| c1ccc(CN2CCC3(CC2)SSC2(CCN(Cc4ccccc4)CC2)SS3)cc1,CI,0 | |
| CS(=O)(=O)ON=c1cc(-c2ccccc2)oc2ccccc12,CI,0 | |
| N=C(NN=Cc1cc(Cl)ccc1O)NN=Cc1cc(Cl)ccc1O,CI,0 | |
| N=C(NN=Cc1cccc2ccccc12)NN=Cc1cccc2ccccc12,CI,0 | |
| N=C(NN=Cc1ccc2c(c1)OCO2)NN=Cc1ccc2c(c1)OCO2,CI,0 | |
| CN=C(c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)N4CCOCC4)cc3)c(Cl)c2)cc1)N1CCOCC1,CI,0 | |
| O=C(Nc1ccc(N=C(Nc2ccccc2)c2ccccc2)cc1)c1ccc(C(=O)Nc2ccc(N=C(Nc3ccccc3)c3ccccc3)cc2)cc1,CI,0 | |
| C[n+]1ccc(Nc2ccc(O)cc2)c2ccc(Cl)cc21,CI,0 | |
| Clc1ccc2c(c1)nnn1nccc21,CI,0 | |
| Oc1nncc2c1Sc1cnnc(O)c1S2,CI,0 | |
| COc1nnc(C)c2[nH]c(=S)[nH]c12,CI,0 | |
| S=C(N1CC1)N1CC1,CI,0 | |
| c1ccc(OP2(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccccc3)=N2)cc1,CI,0 | |
| CC(C)=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,CI,0 | |
| CCC(C)C1(C2CCCC2)NC(=O)NC1=O,CI,0 | |
| Cc1ccc(NP2(=O)N(Cc3ccc(Cl)cc3)CCCN2Cc2ccc(Cl)cc2)cc1,CI,0 | |
| CN(C)CCCN1C(=O)C2CCC(C)(C1=O)C2(C)C,CI,0 | |
| Oc1on[n+](-c2ccccc2)c1C=NNc1ncnc2[nH]cnc12,CM,1 | |
| O=C(Nc1ccc(C(=O)Nc2ccc(C3=NCCCN3)cc2)cc1)Nc1ccc(C2=NCCCN2)cc1,CI,0 | |
| O=C(Nc1ccc(C2=NCCCN2)cc1)c1ccc(NC(=O)c2ccc(C3=NCCCN3)cc2)cc1,CI,0 | |
| O=C(Nc1ccc(CCC2=NCCCN2)cc1)c1ccc(C(=O)Nc2ccc(CCC3=NCCCN3)cc2)cc1,CM,1 | |
| CC1CNC(CCc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(CCC5=NC(C)CN5)cc4)cc3)cc2)=N1,CI,0 | |
| c1ccc([PH](c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)cc1,CI,0 | |
| C1CCC2(CC1)SSSC1(CCCCC1)SS2,CI,0 | |
| Nc1c(CCc2ccccn2)ccc2ccccc12,CI,0 | |
| CN(C)C1C(O)=C(C(=O)NCNc2nc(O)c3[nH]nnc3n2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,CI,0 | |
| CN(CN(C)N=Cc1ccc(Cl)cc1)N=Cc1ccc(Cl)cc1,CI,0 | |
| CN(N=Cc1ccccc1Cl)C(c1ccccc1Cl)N(C)N=Cc1ccccc1Cl,CI,0 | |
| C1CCC(N=C(NC2CCCCC2)N2CCOCC2)CC1,CI,0 | |
| N=C(N)NN=C(c1ccccc1)C(O)c1ccccc1,CI,0 | |
| O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,CI,0 | |
| CC1CN=C(c2ccc(NC(=O)Nc3cc(C(=O)Nc4ccc(C5=NCC(C)N5)cc4)ccc3C(=O)Nc3ccc(C4=NCC(C)N4)cc3)cc2)N1,CI,0 | |
| CNC(=N)c1ccc(NC(=N)c2cccc(C(=N)Nc3ccc(C(=N)NC)cc3)c2)cc1,CI,0 | |
| Cn1cc(C(N)=O)ccc1=N,CI,0 | |
| COc1ccc(NC2(Br)C(=O)NC(=O)NC2C(=O)O)cc1,CI,0 | |
| O=C1c2ccccc2C(=O)N1N1C(=O)c2ccccc2C1=O,CI,0 | |
| Cc1ccccc1S(=O)(=O)OC1NS(=O)(=O)c2ccccc21,CI,0 | |
| O=C1CCS(=O)(=O)O1,CI,0 | |
| CN1C(=N)NC(=O)C1=Cc1ccccc1,CI,0 | |
| O=C1CC2(c3ccccc3)CCCCC2=NN1,CI,0 | |
| CN(C)C(=S)Sc1nsc(SC(=S)N(C)C)n1,CI,0 | |
| Cc1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12,CI,0 | |
| Fc1ccc(CSc2cnnc(SCc3ccc(F)cc3)c2SCc2ccc(F)cc2)cc1,CI,0 | |
| O=c1c(Cl)c(N2CCCCC2)cnn1-c1ccccc1,CI,0 | |
| O=c1c(Cl)c(N2CCOCC2)cnn1-c1ccccc1,CI,0 | |
| CCN(CC)CCCC(C)Nc1ccnc2cc(F)ccc12.CCN(CC)CCCC(C)Nc1ccnc2cccc(F)c12,CI,0 | |
| O=S(=O)(O)c1cc2onnc2c2ccccc12,CI,0 | |
| CCOc1ccc(Nc2ccc(N=Nc3c(N)c(C)cc(N=Nc4ccc(-c5ccc(N=Nc6ccc(O)c(C(=O)O)c6)cc5)cc4)c3N)cc2S(=O)(=O)O)cc1,CM,1 | |
| Cc1cc(N=Nc2ccc(Sc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)c(N)c(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2)c1N,CA,1 | |
| O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1)c1ccc(N=Nc2c(S(=O)(=O)O)cc(O)c3c(NC(=O)c4ccccc4)cc(S(=O)(=O)O)cc23)cc1,CM,1 | |
| Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)cc3)c(S(=O)(=O)O)cc2c1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1,CM,1 | |
| COc1ccc(OC)c(N=Nc2cc(OC)c(N=Nc3c(O)nc4ccccc4c3O)cc2Cc2ccccc2C(=O)O)c1,CI,0 | |
| CC(=O)Nc1cc(S(=O)(=O)O)cc2c(N=Nc3ccc(C(=O)Nc4ccc(N=Nc5ccc(S(=O)(=O)O)cc5)cc4)cc3)c(S(=O)(=O)O)cc(O)c12,CI,0 | |
| O=C=[Fe]12(C3=CCC=C3)C(=O)[Fe]1(=C=O)(C1C=CC=C1)C2=O,CI,0 | |
| O=c1[nH]n(CCc2ccncc2)c(=O)c2ccccc12,CI,0 | |
| O=c1[nH]n(CCc2ccccn2)c(=O)c2ccccc12,CI,0 | |
| Nc1o[nH]c(=O)c1-c1ccccc1,CI,0 | |
| CC1OC1C(=O)C1(O)C(C)C(O)C23OC2(C(O)c2c(O)cccc2C3=O)C1O,CI,0 | |
| C1CN(SSN2CCOCC2)CCO1,CI,0 | |
| O=C1C(=NO)C(c2ccccc2)Oc2ccccc21,CM,1 | |
| CC12CCC3C(CCC4CC(O)CCC43C)C1Cc1cc3ccccc3nc12,CI,0 | |
| CC12CCC(O)CC1=CCC1C2CCC2(C)C3=NN=CC3CC12,CI,0 | |
| CN1CCCc2cc(C=Cc3ccnc4ccccc34)ccc21,CI,0 | |
| C(=Cc1ccnc2ccccc12)c1ccc2c(c1)OCO2,CI,0 | |
| C(=Cc1ccnc2ccccc12)c1cccs1,CI,0 | |
| COC(=O)c1ccc(N2CCOS(=O)OCC2)cc1OC(=O)c1ccccc1,CI,0 | |
| CC(C)(c1cc(Cl)c(O)c(CN2CCOCC2)c1)c1cc(Cl)c(O)c(CN2CCOCC2)c1,CI,0 | |
| c1ccc2c(N3CC3)nncc2c1,CI,0 | |
| Sc1nncc(SCc2ccccc2)c1SCc1ccccc1,CI,0 | |
| Clc1ccc(CSc2nnc(SCc3ccc(Cl)c(Cl)c3)c3[nH]cnc23)cc1Cl,CI,0 | |
| COc1cc[c-](C)[n+](=O)n1,CI,0 | |
| Cc1ccc(=O)n(Cc2ccccc2)n1,CI,0 | |
| Cn1c(=O)c2c(nc(NN=Cc3cccc(Br)c3)n2C)n(C)c1=O,CI,0 | |
| CN1CCC(OC(c2ccccc2)c2ccc(Cl)cc2)C1.O=C(O)C=CC(=O)O,CI,0 | |
| CN(C)C1C(O)=C(C(=O)NCNC2(C(=O)O)CCCC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,CI,0 | |
| COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O,CI,0 | |
| CC1CN1SSN1CC1C,CI,0 | |
| c1ccc([PH](CC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| Cc1c2ccccc2n[c-](CN2CCCCC2)[n+]1=O,CI,0 | |
| Cc1c2ccccc2n[c-](CSc2n[nH]c(=S)s2)[n+]1=O,CI,0 | |
| Cc1c2ccccc2n[c-](CS(=O)(=O)c2ccccc2)[n+]1=O,CI,0 | |
| Cc1c2ccccc2n[c-](CS(=O)c2ccccc2)[n+]1=O,CI,0 | |
| Cc1c2ccccc2n[c-](CSc2nc3ccccc3s2)[n+]1=O,CA,1 | |
| Cc1c2ccccc2n[c-](CN2CCOCC2)[n+]1=O,CI,0 | |
| CC1C2CCC3C4CC(=O)C56CC5CCC6(C)C4CCC32CN1C,CI,0 | |
| CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCC2CCCC2)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O,CI,0 | |
| O=C1CCC2(CCCCC2)N1,CI,0 | |
| CC(=NO)C1CCC2C3CCC4=CC(=NO)CCC4(C)C3C(=O)CC12C,CI,0 | |
| Cc1nc2ccccc2nc1-c1ccc(N=[N+]([O-])c2ccc(-c3nc4ccccc4nc3C)cc2)cc1,CI,0 | |
| C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1,CI,0 | |
| O=C(Nc1ccc(C2=NCCN2)cc1)c1cncc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1,CM,1 | |
| O=C(Nc1ccc(C2=NCCN2)cc1)Nc1cccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1,CM,1 | |
| O=C(Nc1cccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1)c1ccc(C2=NCCN2)cc1,CA,1 | |
| O=C(Nc1ccc(C2=NCCN2)cc1)Nc1cc(NC(=O)Nc2ccc(C3=NCCN3)cc2)cc(C(=O)O)c1,CI,0 | |
| O=C(Nc1ccc(NC(=O)Nc2cc(C(=O)Nc3ccc(C4=NCCN4)cc3)ccc2C(=O)Nc2ccc(C3=NCCN3)cc2)cc1)Nc1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)ccc1C(=O)Nc1ccc(C2=NCCN2)cc1,CM,1 | |
| CCN(CC)CCn1c(C)nc2c1C(=O)c1nc(C)n(CCN(CC)CC)c1C2=O,CI,0 | |
| ON(CCc1ccccn1)CCc1ccccn1,CI,0 | |
| COc1ccc(C=CC(=O)OCC=Cc2ccc3c(c2)OCO3)cc1OC,CI,0 | |
| CC12CCC3C(CC(O)C45CC4CCC35C)C1CCC21C=CC(=O)O1,CI,0 | |
| NC(=O)c1cc(C=Cc2ccccc2)on1,CI,0 | |
| Nn1c(Cc2ccccc2)nnc1Cc1ccccc1,CI,0 | |
| CC1(O)CC23CCC4C(CC=C5CC(O)CCC54C)C2CCC13,CI,0 | |
| COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC,CI,0 | |
| CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,CI,0 | |
| O=C(Nc1ccc(C2=NCCN2)cc1)c1cccc(NC(=S)Nc2ccc(C3=NCCN3)cc2)c1,CM,1 | |
| C(=Nc1ccc(C2=NCCN2)cc1)c1ccc(C=Nc2ccc(C3=NCCN3)cc2)cc1,CI,0 | |
| COc1ccc(-c2c(C)c(C(=O)O)nc(-c3ccc4c(O)c(OC)c5c(c4n3)=NC(C)(C)N=5)c2N)c(O)c1OC,CI,0 | |
| O=S1(=O)OC2CCCCC2O1,CI,0 | |
| Cc1ccc(C)n1CCN1CCNCC1,CI,0 | |
| O=C1C(Cl)=C(O)C2(Cl)C(Cl)=C(Cl)C12Cl,CI,0 | |
| Cc1ccc2c(c1)C1(c3ccc(Cl)cc3)Oc3ccc(C)cc3C(c3ccc(Cl)cc3)(O2)O1,CI,0 | |
| COc1cc(C2c3cc4c(cc3CCN2C(=O)c2ccccc2)OCO4)cc(OC)c1OC,CI,0 | |
| CC1(C)OCC2OC3OC(C)(C)OC3C(OS(C)(=O)=O)C2O1,CI,0 | |
| CC(C)CCCC(C)C1CCC2C3CCC4CC5(CC4(C)C3CCC12C)Nc1ccccc1S5,CI,0 | |
| CC(C)CCCC(C)C1CCC2C3CCC(=O)C(C)(CCCNCCO)C3CCC12C,CI,0 | |
| Nc1ccc(S(=O)(=O)NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1,CI,0 | |
| O=C(Nc1nccs1)c1ccc(C(=O)Nc2nccs2)cc1,CI,0 | |
| O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1,CI,0 | |
| CN1C(=O)C(C(C)(C)C2SC(=S)N(C)C2=O)SC1=S,CI,0 | |
| N=C1NC(=O)C(CC(=O)c2ccc(Cl)cc2)S1,CI,0 | |
| CC(SC(C)C(=O)NN=Cc1c[nH]c2ccccc12)C(=O)NN=Cc1c[nH]c2ccccc12,CI,0 | |
| O=C1C=CC(=Nc2ccc3c(c2)Cc2ccccc2-3)O1,CI,0 | |
| COc1ccc2c(c1)CCC1C2CCC2(C)C(=O)C(=NO)CC12,CI,0 | |
| O=C(Nc1ncnc2c1ncn2C1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)C(COC(=O)c2ccc([N+](=O)[O-])cc2)O1)c1ccccc1,CI,0 | |
| CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2C(O)C(O)C(O)CO,CI,0 | |
| Cc1cc(C)c2cnnn2n1,CI,0 | |
| O=C(Nc1cccc2c1C(=O)c1c(NC(=O)c3ccccc3)ccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c1C2=O)c1ccccc1,CI,0 | |
| c1ccc(CNC2C(c3ccccc3)=NN(c3ccccc3)C2c2ccccc2)cc1,CI,0 | |
| CC(=O)C(C(c1ccccc1)N1CCCc2ccccc21)N1CCOCC1,CI,0 | |
| Cc1cc(O)n2nnnc2n1,CI,0 | |
| O=C(O)Cc1sc(=O)[nH]c1O,CI,0 | |
| N=c1[nH]c(=N)c2cnnn2[nH]1,CI,0 | |
| Cc1nc(C2CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23C)co1,CI,0 | |
| COC1OC(CO)C(O)C2NCSC12,CI,0 | |
| COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(C)C)c2n1,CI,0 | |
| CC1(C)C(C#N)C(=O)NC(=N)C1C(N)=O,CI,0 | |
| O=C1C2C3C=CC(O3)C2C(=O)N1N=Cc1ccc2c(c1)OCO2,CI,0 | |
| [O-][n+]1c2c([n+]([O-])c3ccccc31)-c1cccc3cccc-2c13,CI,0 | |
| O=P(N1CC1)(N1CC1)N1CC2CCC(CC2)C1,CI,0 | |
| OC1CCC(C#CC#CC2CCC(O)CC2)CC1,CI,0 | |
| C(#CCN1CCCC1)CCCN1CCCC1,CI,0 | |
| COC1=NC2=NCCN2C(OC)=N1,CI,0 | |
| NC(=O)c1nnsc1-c1ccco1,CI,0 | |
| CCC(C)C1C(=N)NOC1=O,CI,0 | |
| O=C1NNC(=O)C2C3C=CC(O3)C12,CI,0 | |
| Nc1nc(SCc2ccccn2)c2ncn(C3CCCC3)c2n1,CI,0 | |
| CCN(CC)CCOc1ccc(C(C#N)=Cc2ccc(OCCN3CCCCC3)cc2)cc1,CI,0 | |
| CC1(C)OC2C3CC(C2O1)C1C3C2(Cl)CC1(Cl)C(Cl)=C2Cl,CI,0 | |
| COc1ccc2c(c1)CN(C(C)C1CCC3C4CCC5CC(O)CCC5(C)C4CCC31C)CO2,CI,0 | |
| CCOC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)nc1N1CC1C,CI,0 | |
| C[N+]1(CC(=O)c2ccc(O)c(O)c2)CCOCC1,CM,1 | |
| CC(=NNC(=O)CCSCCC(=O)NN=C(C)c1ccc(OS(C)(=O)=O)cc1)c1ccc(OS(C)(=O)=O)cc1,CI,0 | |
| CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C,CI,0 | |
| Cc1cccc(NP2(Nc3cccc(C)c3)=NP(Nc3cccc(C)c3)(Nc3cccc(C)c3)=NP(Nc3cccc(C)c3)(Nc3cccc(C)c3)=NP(Nc3cccc(C)c3)(Nc3cccc(C)c3)=N2)c1,CI,0 | |
| CN(c1ccccc1)P1(Cl)=NP(Cl)(Cl)=NP(Cl)(N(C)c2ccccc2)=NP(Cl)(Cl)=N1,CI,0 | |
| CCC(C)c1c(NS(=O)(=O)c2ccc(C)cc2)o[nH]c1=O,CI,0 | |
| CCC(C)c1c(NC(=O)c2ccccc2)o[nH]c1=O,CI,0 | |
| Cc1cc(N=Nc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c3ccc(S(=O)(=O)O)cc23)ccc1N=Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1,CI,0 | |
| CCO.COc1cccc(C(O)C(CN2CCCCC2)CN2CCCCC2)c1,CI,0 | |
| C1C2CC3CC1OP(O2)O3,CI,0 | |
| CC12COP(OC1)OC2,CI,0 | |
| O=C(Nc1ccc(C2=NC3CCCCC3N2)cc1)c1ccc(C(=O)Nc2ccc(C3=NC4CCCCC4N3)cc2)cc1,CI,0 | |
| C1CCC(NC2CCCCC2)CC1.COC1C(OC(=O)C=CC=CC=CC=CC(=O)O)CCC2(CO2)C1C1(C)OC1CC=C(C)C,CI,0 | |
| O=c1c2cc3c(=O)n(-c4ccccc4Cl)c(=O)c3cc2c(=O)n1-c1ccccc1Cl,CI,0 | |
| C=CP(=S)(c1ccccc1)c1ccccc1,CI,0 | |
| CC12CCC3=NCCCN3C1=CCC1C2CCC2(C)C1CCC2(C)O,CI,0 | |
| CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3c[nH]cn3)CCC12,CI,0 | |
| CCCCC1C(=O)OC(C)C(NC(=O)c2cccc(NC=O)c2O)C(=O)OC(C)C1OC(=O)CC(C)C,CI,0 | |
| O=C(OCc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1,CI,0 | |
| Nc1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(Nc4ccc5c(O)c(N=Nc6cccc(N)c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1,CI,0 | |
| CC(C)=CC1C(C(=O)N2CCCCCC2)C1(C)C,CI,0 | |
| O=C1OC(=O)C2=C1C1C=CC2O1,CI,0 | |
| Sc1ccc2ccccc2c1CNC1CCCCC1,CI,0 | |
| O=C(NN=CC=Cc1ccccc1)C(O)C(O)C(=O)NN=CC=Cc1ccccc1,CI,0 | |
| Cc1ccccc1OP(=S)(Oc1ccccc1C)Oc1ccccc1C,CI,0 | |
| O=C1C=CC(=O)C2C1C1CC3C=CC312,CI,0 | |
| CCCCCCCCCCCCCCCCCCN1CN(CO)C(=O)N(CO)C1,CI,0 | |
| Nc1ccc(C(=Nc2ccccc2)c2ccc(N)cc2)cc1,CI,0 | |
| Oc1c(C(O)N2CCOCC2)cc(C(O)N2CCOCC2)c(O)c1O.Oc1c(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1O,CI,0 | |
| CN1C(=O)N(C)C(O)C1O,CI,0 | |
| CC(=O)SC1CC(=O)OC1=O,CI,0 | |
| CCCC1(C)OC(=O)C(c2ccccc2)O1,CI,0 | |
| CCC1CC(=NN=C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1,CI,0 | |
| CNC(=N)c1ccc(NC(=N)c2ccc(C(=N)Nc3ccc(C(=N)NC)cc3)cc2)cc1,CI,0 | |
| CSc1nc(C)cc(Nc2ccc(O)c(CN3CCOCC3)c2)n1,CI,0 | |
| O=C1NNC=Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)N=CNNC1=O,CI,0 | |
| O=P1(c2ccccc2)Nc2ccccc2N1c1ccccc1,CI,0 | |
| CN1COc2ccc(Br)cc2C1,CI,0 | |
| CCCCCC1OC1CC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC1OC1CCCCC,CI,0 | |
| Clc1nc(NC2CCCCC2)nc(NC2CCCCC2)n1,CI,0 | |
| CC(C)CC1NC(=O)C(CC(C)C)N(CO)C1=O,CI,0 | |
| Cc1cc(C(=C2C=CC(=Nc3ccc(S(=O)(=O)O)cc3)C=C2)c2ccc(Nc3ccc(S(=O)(=O)O)cc3)cc2)cc(S(=O)(=O)O)c1N,CM,1 | |
| CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21,CI,0 | |
| C(=Cc1ccccc1)C=NCCCCCCN=CC=Cc1ccccc1,CI,0 | |
| c1ccc(N2N=[O+][Cu-3]3(O2)ON(c2ccccc2)N=[O+]3)cc1,CI,0 | |
| CC1(C)C2CCC1C(SC(=N)N)C2.Cc1ccc(S(=O)(=O)O)cc1,CI,0 | |
| Cc1cc(=O)c2c(o1)-c1ccccc1C(c1ccccc1)c1ccccc1-2,CI,0 | |
| CNCC(OB(c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| CCCCN(CCCC)C1CCC(Nc2ccnc3cc(Cl)ccc23)CC1,CI,0 | |
| COc1ccc(C(=O)CC(=O)c2ccc3ccccc3n2)c(O)c1OC,CI,0 | |
| O=C1C=C(Nc2ccc(Cl)cc2Cl)C(=O)C=C1Nc1ccc(Cl)cc1Cl,CI,0 | |
| ClC1C(Cl)C2CC1C1CC3OC3C21,CI,0 | |
| O=C(c1ccc(Cl)cc1)N1CC1,CI,0 | |
| c1ccc(CSC(SCc2ccccc2)(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| O=C1CCC(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1,CI,0 | |
| O=C1CCC(=O)N1C(c1ccccc1)(c1ccccc1)N1C(=O)CCC1=O,CI,0 | |
| C=C1C2CCC3(CCC4C5(C)CCCC4(CN4CCOC45)C3C2)C1O,CI,0 | |
| ON=C1CCCC(=NO)C1=NO,CI,0 | |
| N#CC1C2C=CC(CCC2)C1C#N,CI,0 | |
| O=C1c2ccccc2C(c2ccccc2)(N2CCCCC2)N1c1ccccc1,CI,0 | |
| O=C1NC(=O)C(=NO)C(=O)N1,CI,0 | |
| C1OC1CN1CCC(C2CCN(CC3CO3)CC2)CC1,CI,0 | |
| Oc1nnc2ccc(nnc1O)c1ccccc21,CI,0 | |
| CSc1ncc(Br)c(Nc2cnc(O)nc2O)n1,CI,0 | |
| CC12CCC3C(CCC4OCCCC43C)C1CCC2O,CI,0 | |
| O=C1C2(CCCC13OC3c1ccccc1)OC2c1ccccc1,CI,0 | |
| O=C1NC(=O)C2(CC2)C(=O)N1,CI,0 | |
| O=C(CC1(CC(=O)NCc2ccccc2)OCCO1)NCc1ccccc1,CI,0 | |
| CCOC(=O)CC1CN(Cc2ccccc2)CCC1=O,CI,0 | |
| O=C1CCCC2CCCCN12,CI,0 | |
| OC1COC(c2ccccc2)OC1C1OC(c2ccccc2)OC2COC(c3ccccc3)OC21,CI,0 | |
| OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(C=NNc1ccccc1)=NNc1ccccc1,CI,0 | |
| CC(=O)OCC(OC(C)=O)C(OC(C)=O)C1OC(Oc2ccccc2)C(OC(C)=O)C1OC(C)=O,CI,0 | |
| OCC(O)C(O)c1cnn(-c2ccccc2)n1,CI,0 | |
| C1NNCN2CNNCN12,CI,0 | |
| O=C(c1ccccc1)N1CCCCC1c1cccnc1,CI,0 | |
| COc1cccc(C2CO2)c1,CI,0 | |
| C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)Oc3ccccc32)C=C1,CI,0 | |
| Cc1ccc(-c2cc(-c3ccccc3)[s+]c3ccc(C)cc23)cc1.O=P(O)(O)O,CI,0 | |
| O=C(c1ccc(Cl)cc1)C1N=NCC1c1ccccc1,CI,0 | |
| COc1ccccc1C1C=NNC1,CI,0 | |
| CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)OCC)NC(=O)OCc1ccccc1,CI,0 | |
| O=C(Nc1ccccc1)NC(CSSCC(NC(=O)Nc1ccccc1)C(=O)O)C(=O)O,CI,0 | |
| O=S1(=O)c2ccccc2C(O)(c2ccccc2)c2ccccc21,CI,0 | |
| Cc1ccc(N2C=[N+](C)c3ccc(C)cc3C2)cc1,CI,0 | |
| CC12CCC(C(S(=O)(=O)Nc3ccccc3)C1=O)C2(C)C,CI,0 | |
| O=P(Nc1nccc(Cl)n1)(Nc1nccc(Cl)n1)c1ccccc1,CI,0 | |
| CC1(C)SCC(COC(=O)c2ccccc2)S1,CI,0 | |
| OCC12CCCC(CO)(COC1)C2O,CI,0 | |
| C1CCC(NC2CCCCC2)CC1.CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2,CI,0 | |
| O=C1C2CC3OC3CC2C(=O)N1CCN1C(=O)C2CC3OC3CC2C1=O,CI,0 | |
| O=C1OC2CCCC1O2,CI,0 | |
| CC1(C)OC(=O)CC2(C)OC12,CI,0 | |
| c1ccc(C2COC(c3ccc4c(c3)OCO4)O2)cc1,CI,0 | |
| O=C1c2ccccc2-c2cc(N3C(=O)C=CC3=O)ccc21,CI,0 | |
| O=C(C[n+]1ccc2ccccc2c1)c1ccc(O)c(O)c1,CI,0 | |
| COC1OOC(OC)c2ccccc2-c2ccccc21,CI,0 | |
| O=C1C2=C(SCCS2)C(=O)c2ccccc21,CI,0 | |
| Cc1ccc2ccccc2c1CSc1ncnc2c1ncn2C1OC(CO)C(O)C1O,CI,0 | |
| Oc1ccccc1C=NNC(=S)Nc1cccc2cc3ccccc3nc12,CI,0 | |
| O=[N+]([O-])c1ccc(OP(=O)(Oc2ccc([N+](=O)[O-])cc2)OP(=O)(Oc2ccc([N+](=O)[O-])cc2)Oc2ccc([N+](=O)[O-])cc2)cc1,CI,0 | |
| OC1(c2ccccc2)c2ccccc2CCC1Br,CI,0 | |
| CCCCCCCCCCCCCCCC[N+]1(C)CC2CCCCC2C1,CI,0 | |
| O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccccn2)CC1,CI,0 | |
| COc1cc(C(O)C(O)c2cc(CN3CCOCC3)c(O)c(OC)c2)cc(CN2CCOCC2)c1O,CI,0 | |
| Cc1c(CN2CCOCC2)cc(C(C)C)c(O)c1CN1CCOCC1,CI,0 | |
| CC[N+](C)(CC)CCCC(C)N1C(=O)C2CCCCC2C1=O,CI,0 | |
| O=C1N(C2CCCCC2)CC2(Cc3ccccc3)c3ccccc3NC12O,CI,0 | |
| O=C(CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| CC(C)=C1CC(C)(C)N=C1CCC1=NC(C)(C)CC1=C(C)C,CI,0 | |
| CC(C)=C1CC(C)(C)N=C1CCN1CCOCC1,CI,0 | |
| CC1(C)CC2CCC(O)C2C(CCO)N1,CI,0 | |
| CC1=NC(C)(C)CC2CCC(O)C12,CI,0 | |
| Cc1ccc(C)n1-n1c2ccccc2c2ccccc21,CI,0 | |
| O=c1ccc2ccccc2n1Cc1ccc2ccccc2n1,CI,0 | |
| C[n+]1cn(C2OC(CO)C(O)C2O)c2[nH+]c(O)nc(O)c21,CI,0 | |
| O=C1OC(C(O)CO)C(O)=C1Nc1ccc(S(=O)(=O)c2ncc(NC3=C(O)C(C(O)CO)OC3=O)s2)cc1,CI,0 | |
| O=C(O)C1CCC(C(=O)O)SS1,CI,0 | |
| CC1CN1C(=O)NCCCCCCNC(=O)N1CC1C,CI,0 | |
| COc1cc2c(cc1OC)C1C(=O)c3c(O)cc4c(c3OC1CO2)C=CC(C)(C)O4,CI,0 | |
| O=C(c1ccccc1)N1C(=O)c2ccccc21,CI,0 | |
| CCCCC1OCCOC1C1COCCO1,CI,0 | |
| OC1C2CCCC1C1(CCCCC1)C1CCCCC21O,CI,0 | |
| Cc1cc(=O)c2c(o1)-c1c(cc(O)c(O)c1C(=O)O)OC2,CI,0 | |
| CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CCOC3=O)CCC12O,CI,0 | |
| CC12CCC(c3no[n+]([O-])c31)C2(C)C,CI,0 | |
| C1Cn2nnnc2N1,CI,0 | |
| CCCCOC(=O)C1CC2OC2CC1C(=O)OCCCCOC(=O)C1CC2OC2CC1C(=O)OCCCC,CI,0 | |
| CCCCOC(=O)C1CC2OC2CC1C(=O)OCCOCCOC(=O)C1CC2OC2CC1C(=O)OCCCC,CI,0 | |
| O=C1C2CC3OC3CC2C(=O)N1CCCCCCN1C(=O)C2CC3OC3CC2C1=O,CI,0 | |
| O=C1C2CC3OC3CC2C(=O)N1CN1C(=O)C2CC3OC3CC2C1=O,CI,0 | |
| C1CN2C(=N1)N1CCN=C1N1CCN=C21,CI,0 | |
| O=C(NNC(=O)c1ccncc1)c1ccncc1,CI,0 | |
| CC(=O)c1cccc(NC2C(N)C(NC(=O)N(C)C)(C(C)O)C(C)(O)C2(O)COC(=O)c2c(C)cccc2O)c1,CI,0 | |
| Cc1n(Cc2ccc([N+](=O)[O-])cc2)c2c([n+]1-c1ccccc1)C(=O)c1ccccc1C2=O,CI,0 | |
| O=C1O[Ni-2]2(Cl)NC1Cc1c[nH]c[n+]12,CI,0 | |
| c1ccc(N2N=NC3C4CC(C32)C2C4N=NN2c2ccccc2)cc1,CI,0 | |
| CN1c2ccccc2Oc2ccc3ccccc3c21,CI,0 | |
| [O-][n+]1onc(-c2ccccc2)c1-c1ccccc1,CI,0 | |
| CNP(=S)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccc(Cl)cc2)CC1,CI,0 | |
| S=P(Oc1cc(Cl)c(Cl)cc1Cl)(N1CCN(c2cccc(Cl)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1,CI,0 | |
| CNP(=O)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccc2)CC1,CI,0 | |
| S=P(c1ccccc1)(N1CCCCC1)N1CCCCC1,CI,0 | |
| CC(CCC(=O)O)(c1ccc(O)c(CN(c2ccccc2)c2ccccc2)c1)c1ccc(O)c(CN(c2ccccc2)c2ccccc2)c1,CI,0 | |
| c1c[n+]([Ni-4]([n+]2cc[nH]c2)([n+]2cc[nH]c2)([n+]2cc[nH]c2)([n+]2cc[nH]c2)[n+]2cc[nH]c2)c[nH]1,CI,0 | |
| CN1C(=S)Nc2ncn(C)c2S1(=O)=O,CI,0 | |
| CN1C(=O)Nc2ncn(C)c2S1(=O)=O,CI,0 | |
| CC1(C)SCCCCCCCSC(C)(C)SCCCCCCCS1,CI,0 | |
| Oc1nnc(O)c2nc(Nc3ccco3)ncc12,CI,0 | |
| O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,CI,0 | |
| c1cc2n(n1)CCN2,CI,0 | |
| COc1ccc(-c2cncc(-c3ccc(OC)c(OC)c3)c2)cc1OC,CI,0 | |
| COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O,CI,0 | |
| Brc1ccc2nc(-c3ccccc3)c3ccccc3c2c1,CI,0 | |
| O=C1O[Cu-3]2(Cl)NC1Cc1c[nH]c[n+]12,CI,0 | |
| O=c1[nH]oc(NS(=O)(=O)c2ccccc2)c1C1CCCCC1,CI,0 | |
| Nc1o[nH]c(=O)c1C1CCCCC1,CI,0 | |
| Cc1c2ccccc2n[c-](CSCc2ccccc2)[n+]1=O,CI,0 | |
| CC12SC3(C)SC(C)(S1)SC(C)(S2)S3,CI,0 | |
| CN(C)C1C(O)=C(C(=O)NCN2CCCC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,CI,0 | |
| CCN1OC(C)(C)C2CCC(C)CC21,CI,0 | |
| CC1=CC(C)(C)NC(=S)N1c1ccc(C)c(N2C(=S)NC(C)(C)C=C2C)c1,CI,0 | |
| O=S(=O)(SCc1ccccc1)C(c1ccccc1)c1ccccc1,CI,0 | |
| O=S(=O)(Sc1ccccc1)C(c1ccccc1)c1ccccc1,CI,0 | |
| O=C(OC1C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C1OC(=O)c1cccnc1)c1cccnc1,CI,0 | |
| CC1S(=O)C(C)S(=O)C(C)S1=O,CI,0 | |
| CC12CC3(C)SC(C)(CC(C)(S1)S2)S3,CI,0 | |
| Cc1c(C)c(CC(=O)N2CC2)c(C)c(C)c1CC(=O)N1CC1,CI,0 | |
| Cc1cc(NC(=O)c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(NC(=O)c5ccc(N)cc5)ccc4c3O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1,CA,1 | |
| Nc1ccc(N=Nc2ccc(N=Nc3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4O)c4ccc(S(=O)(=O)O)cc34)c3ccc(S(=O)(=O)O)cc23)cc1,CA,1 | |
| CCOc1cc(N=Nc2cc(Cl)c(S(=O)(=O)O)cc2Cl)c2cc(S(=O)(=O)O)ccc2c1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)c3ccc(N)cc3)ccc2c1O,CA,1 | |
| Nc1ccc(N=Nc2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5ccc(N=Nc6ccc(N)cc6N)cc5)c(O)c4c3N)cc2)c(N)c1,CM,1 | |
| COc1cc(N=Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c(C)cc1N=Nc1c(S(=O)(=O)O)cc2cc(Nc3ccccc3)ccc2c1O,CI,0 | |
| Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(-c4ccc(N=Nc5ccc(O)cc5)cc4)cc3)c(O)c12,CI,0 | |
| O=S(=O)(O)c1cc2nc3c4cccc(S(=O)(=O)O)c4c(Nc4ccccc4)cc3[n+](-c3ccccc3)c2cc1Nc1ccccc1,CM,1 | |
| O=S(=O)(O)c1cccc(N=Nc2ccc(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)c3ccccc23)c1,CM,1 | |
| O=[N+]([O-])c1ccc(N=Nc2c(O)c(N=Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)cc(N=Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c34)c2O)cc1,CM,1 | |
| O=C(O)c1c(O)ccc(N=Nc2ccc(N=Nc3ccc4c(S(=O)(=O)O)cccc4c3O)c3ccccc23)c1O,CI,0 | |
| O=S(=O)(O)c1cc(O)c2c(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)cc(S(=O)(=O)O)cc2c1,CM,1 | |
| CC1=NN(c2ccc(Cl)cc2S(=O)(=O)O)C(=O)C1N=Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1,CM,1 | |
| O=[N+]([O-])c1cc(Cl)c(O)c(N=Nc2cc(S(=O)(=O)O)c3cccc4[nH]nnc2c43)c1,CI,0 | |
| N=C(NN=C(c1ccccc1)c1ccc(N)cc1)C(=N)NN=C(c1ccccc1)c1ccc(N)cc1,CI,0 | |
| NC(=O)C1CC2(C1)CC(C(N)=O)C2,CI,0 | |
| Cc1ccc(NCC2(N=Cc3ccccc3)OC(CO)C(O)C2O)cc1,CI,0 | |
| CC12CCC(=O)C=C1CCC1C3CCC4(OCC4=O)C3(C)CC(O)C12F,CI,0 | |
| NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)C(O)C1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O,CI,0 | |
| O=C(ONC(=O)C1C2C=CC(C2)C1C(=O)NOC(=O)c1ccccc1)c1ccccc1,CI,0 | |
| O=C1NC2CCCCC2C(=O)N1OS(=O)(=O)c1ccccc1,CI,0 | |
| O=C1OCCN(CCO)C12CCCC2,CI,0 | |
| O=C1CCCCCCCCCCCC(=O)OCCO1,CI,0 | |
| CCOC(=O)C1=C2N=C(O)C(C(=O)OCC)=C2N=C1O,CI,0 | |
| Oc1cc(SCc2ccccc2Cl)nc(O)n1,CI,0 | |
| COc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5c(N)ccc6cc(S(=O)(=O)O)ccc56)c(S(=O)(=O)O)cc4c3)ccc2c1O,CA,1 | |
| Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(O)c(N=Nc3ccc4cc(S(=O)(=O)O)ccc4c3)c(S(=O)(=O)O)cc2c1,CM,1 | |
| O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccc4cc(S(=O)(=O)O)ccc4c3)c(S(=O)(=O)O)cc2c1,CA,1 | |
| O=C(Nc1ccc2c(O)c(N=Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)c(S(=O)(=O)O)cc2c1)c1ccccc1,CM,1 | |
| CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(C(=O)Nc4ccc(S(=O)(=O)O)cc4)cc3)c(O)c12,CI,0 | |
| O=C1c2ccccc2C(=O)c2cc(N=Nc3c(O)ccc4ccccc34)ccc21,CI,0 | |
| CN(c1ccc(C(N)=O)cc1)c1c(O)nc2ccccc2c1O,CM,1 | |
| COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4OC)c3o2)cc1,CI,0 | |
| CCC1(CC)C(=N)NC(=S)NC1=O,CI,0 | |
| CC12c3ccccc3C(C)(c3c1ccc1ccccc31)C1C(=O)OC(=O)C12,CI,0 | |
| COc1ccc(CC(NC(=O)NSc2ccccc2)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1,CI,0 | |
| CN1C(=O)C(N=Nc2ccc([N+](=O)[O-])cc2)SC1=S,CI,0 | |
| S=P1(Oc2ccccc2)OCCO1,CI,0 | |
| N=C(OC1CCCCC1)N1CCOCC1,CI,0 | |
| N=C(OC1CCCCC1)N1CCCC1,CI,0 | |
| O=C1OCOC1C1OCOC1=O,CI,0 | |
| C1CC(C2OCOC3COCOC32)OO1,CI,0 | |
| O=C(CCCCC(=O)OCC1COCO1)OCC1COCO1,CI,0 | |
| COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2)cc1O,CM,1 | |
| O=[N+]([O-])c1ccc(NN=C2C=C(S(=O)(=O)O)c3ccccc3C2=NNc2ccc([N+](=O)[O-])cn2)nc1,CI,0 | |
| CN(C)C1C(O)=C(C(=O)NCNc2cccc(C(=O)O)c2C(=O)O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,CI,0 | |
| CN(C)C1C(O)=C(C(=O)NCNC2C(=O)N3C2SC(C)(C)C3C(=O)O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12,CI,0 | |
| O=C1C=CC(=O)C2C3c4ccccc4C(c4ccccc43)C12,CI,0 | |
| CCCCCC1=CC(=O)C=C(OC)C12C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c12,CI,0 | |
| Cc1cc(O)c2c(oc3cc(O)c4c(c32)COC4=O)c1C(=O)O,CI,0 | |
| OC(CNc1ncccn1)c1ccccc1,CI,0 | |
| O=C(C=Cc1ccccc1)c1ccc(-c2cccc(-c3ccccc3)c2)cc1,CI,0 | |
| O=C(C=Cc1ccccc1)c1ccc(Oc2ccccc2)cc1,CI,0 | |
| O=C(C=Cc1ccccc1)c1ccc(Sc2ccccc2)cc1,CI,0 | |
| OC(CCN1CCOCC1)c1ccc(Sc2ccccc2)cc1,CI,0 | |
| c1ccc(N=Nc2ccccn2)nc1,CI,0 | |
| Cc1cccnc1CC(O)c1ccccc1,CI,0 | |
| Cc1cccc(CC(=O)c2ccccc2)n1,CI,0 | |
| CCNc1nc2c(=O)n(C)c(=O)n(C)c2s1,CI,0 | |
| O=c1c2ccccc2oc2cc(C(O)c3ccccc3)ccc12,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=NC(C)c3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NC(C)c3ccccc3)c2c1O,CI,0 | |
| CC1CC(C)(C)NC2(CCCC2)N1,CI,0 | |
| CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O.O=S(=O)(O)O,CI,0 | |
| O=[As]1(c2ccccc2)c2ccccc2Oc2ccccc21,CI,0 | |
| O=[N+]([O-])c1ccc(N2CCOS(=O)OCC2)cc1,CI,0 | |
| S=C1CC(=S)NC(=S)N1,CI,0 | |
| O=c1oc2ccccc2c(O)c1Sc1c(O)c2ccccc2oc1=O,CI,0 | |
| CCOP(=O)(Nc1nccs1)c1ccc(N)cc1,CI,0 | |
| Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O,CI,0 | |
| Clc1ccc([S+](c2ccc(Cl)cc2)C(Cl)(Cl)C(Cl)(Cl)Cl)cc1,CI,0 | |
| O=C1C(Cl)=C(N2CCN(C3=C(Cl)C(=O)c4ccccc4C3=O)CC2)C(=O)c2ccccc21,CI,0 | |
| O=C(Oc1ccccc1)N(CCO)C(c1ccccc1)C(O)c1ccccc1,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(N=Nc4ccccc4)cc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(N=Nc4ccccc4)cc3)c2c1O,CI,0 | |
| Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccc4c5c(nsc35)-c3ccccc3C4=O)c1C2=O,CI,0 | |
| Nc1ccc(S(=O)(=O)c2ccc(NCNC(CSSCC(NCNc3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)C(=O)O)C(=O)O)cc2)cc1,CI,0 | |
| CC1=CC2=[N+]3C1=Cc1cc(C)c4n1[Mn]31(Cl)n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2,CI,0 | |
| CC(=O)Nc1ccc(S2=Nc3ccccc3S2)cc1,CM,1 | |
| Clc1ccc(NC(Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1,CI,0 | |
| CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C)CC1,CI,0 | |
| COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC(C)=O)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(=O)C(C)C)C(C)O3)C(O)C(C)O2)C(O)C(C)O1,CI,0 | |
| O=C1OCCN1N1CCOC1=O,CI,0 | |
| C1CN(N=NN2CCOCC2)CCO1,CI,0 | |
| CCCCOC(=Nc1ccccc1)N(c1ccccc1)c1ccccc1,CI,0 | |
| Cn1cnc([N+](=O)[O-])c1SSc1c([N+](=O)[O-])ncn1C,CI,0 | |
| c1ccc(Cc2ccc(SSc3ccc(Cc4ccccc4)cc3)cc2)cc1,CI,0 | |
| O=C1OCCN1c1ccccc1,CI,0 | |
| COc1cc2ccc1NC(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1OC)-c1ccc(c(OC)c1)NC(=O)N1CCN(CC1)C(=O)Nc1ccc-2cc1OC,CI,0 | |
| O=S(=O)(Oc1ccccn1)c1ccc(Br)cc1,CI,0 | |
| O=C(NP(=O)(N1CC1)N1CC1)OCc1ccccc1,CI,0 | |
| O=S(=O)(O)c1cc(N=[N+]([O-])c2cc(S(=O)(=O)O)c3ccccc3c2)cc2ccccc12,CI,0 | |
| COc1cc(C2CC3(C)OC(=O)C2CC3C)cc(OC)c1OC,CI,0 | |
| O=C(C[n+]1ccncc1)c1ccc2c(c1)CCCC2,CI,0 | |
| CC1CN2SN1CC2C,CI,0 | |
| OC1CC2CCN3Cc4cc5c(cc4C(C1O)C23)OCO5,CI,0 | |
| CC12CCC(C3NC(=S)NN=C31)C2(C)C,CI,0 | |
| Cc1nc(O)nc(O)c1CN1CCCCC1,CI,0 | |
| Oc1ncc(CN2CCOCC2)c(O)n1,CI,0 | |
| COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)C3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1C(C2)[N+](C)(C)CC3,CI,0 | |
| O=C(Nc1ccccn1)Nc1ccccn1,CI,0 | |
| Cc1ccc(S(=O)(=O)OCC2COC(C)(C)O2)cc1,CI,0 | |
| Cc1cccc(C)c1NC(=O)CN(CC(C)C)CC(O)COc1ccccc1,CI,0 | |
| O=S(=O)(OCCSS(=O)(=O)c1ccccc1)c1ccccc1,CI,0 | |
| O=S1(=O)CCN(c2ccccc2CC(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)CC1,CI,0 | |
| O=C1Nc2ccc(cc2)Cc2ccc(cc2)NC(=O)N2CCN(CC2)C(=O)Nc2ccc(cc2)Cc2ccc(cc2)NC(=O)N2CCN1CC2,CI,0 | |
| Cc1ccc2cc1NC(=O)N1CCN(CC1)C(=O)Nc1cc(ccc1C)NC(=O)N1CCN(CC1)C(=O)N2,CI,0 | |
| c1ccc2[nH]c(SSc3nc4ccccc4[nH]3)nc2c1,CM,1 | |
| C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.O=[N+]([O-])O,CI,0 | |
| O=C1NC2(NC(=O)C1=O)Nc1ccccc1S2,CI,0 | |
| CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,CI,0 | |
| O=S(=O)(O)C1=C2Sc3ccccc3N=C2c2ccccc2C1,CI,0 | |
| Oc1cc2[nH]cnc2c(O)n1,CI,0 | |
| C1C2OC2C2C1C1CC2C2OC12,CI,0 | |
| c1cc(-c2nc3sc(-c4ccncc4)nc3s2)ccn1,CI,0 | |
| c1cncc(-c2nc3sc(-c4cccnc4)nc3s2)c1,CI,0 | |
| O=C(O)CN(CC[N+]12CC[N+]3(CC(=O)O)CC(=O)O[Ca-2]13OC(=O)C2)CC(=O)O,CI,0 | |
| O=S(=O)(c1ccc(NCSc2nc3ccccc3s2)cc1)c1ccc(NCSc2nc3ccccc3s2)cc1,CI,0 | |
| O=S(=O)(O)c1cc2c(c(S(=O)(=O)O)c1)O[Sb]1([Na])(O2)Oc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2O1,CI,0 | |
| CC1C(c2ccccc2)SC(=N)N1C,CI,0 | |
| CC1CN(Cc2ccccc2)C(=N)S1,CI,0 | |
| O=C(NN=CC=Cc1ccccc1)c1ccncc1,CI,0 | |
| c1csc(-c2nc3sc(-c4cccs4)nc3s2)c1,CI,0 | |
| O=c1cc(-c2ccccc2)ss1,CI,0 | |
| CCOP(=S)(S)OCC.C[S+]=c1cc(-c2ccccc2)ss1,CI,0 | |
| O=C1ON=C(c2ccccc2)C1=NO,CI,0 | |
| O=C1CC(c2ccccc2)=NO1,CI,0 | |
| O=C1CCSC2=NCCN12,CI,0 | |
| O=C1NC2(CCCCC2)OC12CCCCC2,CI,0 | |
| Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1cccc2ccccc12,CI,0 | |
| Cc1ccc(SC2CC3CC2C2COCC32)cc1,CI,0 | |
| O=NC1C(Cl)C2CC1C1COCC21,CI,0 | |
| O=C1C(c2ccc3ccccc3n2)=C(O)c2ccccc21,CI,0 | |
| O=C1NC(=S)SC1=Cc1ccco1,CI,0 | |
| O=C1NC(=S)SC1=Cc1cccs1,CI,0 | |
| CN(C)c1ccc(C(=S)c2ccc(N(C)C)cc2)cc1,CI,0 | |
| c1ccc(SCN2CCN(CSc3ccccc3)CC2)cc1,CI,0 | |
| CC(C)(c1ccc(OP2(=O)OCC3(CC=CCC3)CO2)cc1)c1ccc(OP2(=O)OCC3(CC=CCC3)CO2)cc1,CI,0 | |
| CCC1(CC)COP(=S)(SCCOC(=O)c2ccccc2)OC1,CI,0 | |
| CCOC(=O)CC(SP1(=S)OCC2(CC=CCC2)CO1)C(=O)OCC,CI,0 | |
| Cc1ccc(N2COc3ccc4ccccc4c3C2)cc1,CI,0 | |
| CC1(C)OC(=O)NC1=O,CI,0 | |
| C1CC2N=C3OCCC3N=C2O1,CI,0 | |
| Cn1c2c(sc1=O)CCC2,CI,0 | |
| O=c1ssc(Cl)c1-c1ccccc1,CI,0 | |
| c1ccc2c(c1)nnn2CN1CCOCC1,CI,0 | |
| CC1CSS(=O)O1,CI,0 | |
| O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1,CI,0 | |
| O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c(N2N=N2)c1)c1ccccc1,CI,0 | |
| CC[N+]1(CC)CC[N+]2(CCCC(C)CC2)CC1,CI,0 | |
| Cn1c(=O)c2nc(NCC3CCCCC3)sc2n(C)c1=O,CI,0 | |
| Cn1c(=O)c2nc(NCc3ccccc3)sc2n(C)c1=O,CI,0 | |
| C1CC[N+]2(C1)CC[N+]1(CCCC1)CC2,CI,0 | |
| C1=CC=CC2OC2C=C1,CI,0 | |
| NCCCCC1N[Zn-2]2(NC(CCC(N)=O)C(=O)O2)OC1=O,CI,0 | |
| O=C1CCC2N[Cu-2](O1)OC2=O,CI,0 | |
| CCCCC(CCCCCC(CCCC)C1NC(C)Cc2cc(OC)c(OC)cc21)C1NC(C)Cc2cc(OC)c(OC)cc21,CI,0 | |
| O=C(OCCN1CCCC12CCCCC2)C(c1ccccc1)C1C=CCC1,CI,0 | |
| CC1=NN(c2ccccc2)C(=O)C1=C1C(=O)N(c2ccccc2)N=C1C,CI,0 | |
| O=S1(=O)CCC(OC2CCS(=O)(=O)C2)C1,CI,0 | |
| CCC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)O)c4n1[Zn-2]31n3c(c(C)c(CC)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)O)=C2C,CI,0 | |
| C1N2CN3CN1CN(C2)C3,CI,0 | |
| O=C1c2ccccc2C(=O)c2c1nnn2-c1ccccc1,CI,0 | |
| N=C1N(c2ccccc2)C(N)(N)SSC(N)(N)N1c1ccccc1,CI,0 | |
| S=C1SSC(=S)SS1,CI,0 | |
| O=C(Nc1ccccc1)C(O)C(O)C(=O)Nc1ccccc1,CI,0 | |
| C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1,CI,0 | |
| O=S(Cc1ccccc1)OOCCCCOS(=O)OCc1ccccc1,CI,0 | |
| CCCC=[N+]1CCOC(=S)S[Zn-2]12SC(=S)OCC[N+]2=CCCC,CI,0 | |
| Cc1ccccc1-c1nc2ccc(N)nc2nc1N,CI,0 | |
| O=S1OCC2(CO1)COS(=O)OC2,CI,0 | |
| Cc1ccc([B-2]2(c3ccc(C)cc3)=NCCO2)cc1,CI,0 | |
| N=c1nn[nH]n1-c1ccccc1,CI,0 | |
| O=C1OC(=O)C2=C1C1c3ccccc3C2c2ccccc21,CI,0 | |
| CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,CI,0 | |
| Oc1on[n+]2c1CCCC2,CI,0 | |
| Oc1on[n+]2c1CSC2,CI,0 | |
| Oc1on[n+]2c1Cc1ccccc1C2,CI,0 | |
| CC1C(=O)NC(=O)CC(=O)NC1=O,CI,0 | |
| C[N+](C)(C)c1cc2c(nn1)Nc1ccccc1S2,CI,0 | |
| S=c1[nH]ccs1,CI,0 | |
| C=C(C)COC(=O)C1C2CC(C3OC23)C1C(=O)OCC(=C)C,CI,0 | |
| CC1OC(=O)C2CC3CCCCC3C(C=CC3CCCC(C)N3C)C12,CI,0 | |
| Cc1c(C(C)C2NCC(C)CC2O)ccc2c1CC1C2CC=C2CC(O)CCC21C,CI,0 | |
| CCOC(=O)C1(c2ccccc2)CCN(CC(=O)c2ccccc2)CC1,CI,0 | |
| O=C1OCCC1(Br)C(Br)c1ccccc1,CI,0 | |
| COC1OC(CO)C2OC12,CI,0 | |
| c1ccc2c(c1)CCN(NCCN1CCCC1)C2,CI,0 | |
| Oc1ccc(CCC2CCNc3ccccc32)cc1,CI,0 | |
| ON=C(CSSCC(=NO)c1ccc(Cl)cc1)c1ccc(Cl)cc1,CI,0 | |
| CCCC1OP(=O)(N2CC(C)N(P3(=O)OCC(CC)C(CCC)O3)CC2C)OCC1CC,CI,0 | |
| COCC(C)(COP(=O)(N1CCOCC1)N1CCOCC1)CC(C)COP(=O)(N1CCOCC1)N1CCOCC1,CI,0 | |
| O=P(OCC1CCCO1)(OCC1CCCO1)OCC1CCCO1,CI,0 | |
| S=C(Nc1ccc2c3c(cccc13)CC2)Nc1ccc2c3c(cccc13)CC2,CI,0 | |
| COC(=O)CCC(C)C1CCC2C3CCC4CC5CCC4C3(CO5)C(=O)C(Br)C12C,CI,0 | |
| O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12,CI,0 | |
| Nc1nc(-c2ccccc2)nc(N)c1N=O,CI,0 | |
| O=[n+]1[cH-]nc2ccccc2c1O,CI,0 | |
| O=C(SC1=NCCS1)SC1=NCCS1,CI,0 | |
| Cc1nc2c(n1-c1ccc(Br)cc1)C(=O)c1ccccc1C2=O,CI,0 | |
| CCCCN(CCCC)C1=[S+][Cu-3]2(S1)SC(N(CCCC)CCCC)=[S+]2,CI,0 | |
| CCC1N[Cu-3]2(NC(CC)C(=O)O2)OC1=O,CI,0 | |
| N=C1NC(=O)N[Cu-3]2(N1)NC(=N)NC(=O)N2,CI,0 | |
| O=C(O)C1S[Bi](SC(C(=O)O)C(S[Bi]2SC(C(=O)O)C(C(=O)O)S2)C(=O)O)SC1C(=O)O,CI,0 | |
| O=C(O)C1=C(C(=O)O)C2c3ccccc3C1c1ccccc12,CI,0 | |
| C=C1C(=O)OC2CC3(C)OC3CCC(C)=CC(OC(C)=O)C12,CI,0 | |
| O=C(O)C1CC2=C(CN1)Cc1ccccc12,CI,0 | |
| c1cc2c(cc1-c1ccc3c(c1)N=[Se]=N3)N=[Se]=N2,CI,0 | |
| COc1ccc(N=Nc2c(N)n(C)[nH]c2=N)cc1,CI,0 | |
| COc1ccc(-c2coc3c4c(c5c(c3c2=O)OC(C)(C)CC5)OC(C)(C)C=C4)cc1OC,CI,0 | |
| CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC=NN=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,CI,0 | |
| O=c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CI,0 | |
| O=C1O[Cu-3]2(OC(=O)c3cccc[n+]32)[n+]2ccccc21,CI,0 | |
| Cc1ccc(S(=O)(=O)OCCOS(=O)(=O)c2ccc(C)cc2)cc1,CI,0 | |
| COc1cc2c(cc1Oc1c(Oc3c(O)c(OC)cc4c3C(CC(C)C)N(C)CC4)c(OC)cc3c1C(CC(C)C)N(C)CC3)C(CC(C)C)N(C)CC2,CI,0 | |
| CC(=O)Oc1c(Br)cc(-c2oc(-c3cc(Br)c(OC(C)=O)c(Br)c3)c3ccccc23)cc1Br,CI,0 | |
| CCOS(=O)(=O)O.CC[N+]1(C)CSC(=S)N(C)C1,CI,0 | |
| S=C1NCCNC(=S)SSC(=S)SS1,CI,0 | |
| c1ccc(CNc2nnc(NCc3ccccc3)c3c2ncn3Cc2ccccc2)cc1,CI,0 | |
| c1ccc(-c2cc(N3CCOCC3)c3ccccc3[o+]2)cc1,CI,0 | |
| CCCCOCc1cc(CN2CCN(C)CC2)c(O)c2ncccc12,CI,0 | |
| Cc1ccc(S(=O)(=O)OC(c2ccccc2)c2ccccc2)cc1,CI,0 | |
| CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,CI,0 | |
| CN1OC2CCC1CC(OC(c1ccccc1)c1ccccc1)C2,CI,0 | |
| Clc1ccc2c(c1)N(CCCN1CCCC13CCCCC3)c1ccccc1S2,CI,0 | |
| CCCC(C(=O)OCCN1CCCC12CCCCC2)C1CCCC1,CI,0 | |
| CC1CC2OC(=O)C3(C)C2C(OC3(C)O)C2(C)C(=O)C=CC12,CI,0 | |
| c1ccc(Nc2cc(Nc3ccccc3)cc(Nc3ccccc3)c2)cc1,CI,0 | |
| COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CC1CCCCN1C3,CI,0 | |
| COC1CNC(N)=[O+][Hg-](Cl)C1,CI,0 | |
| COC1CNC(NC(=O)CCC(=O)O)=[O+][Hg-2]2(C1)[O+]=C1c3c(ncn32)N(C)C(=O)N1C,CI,0 | |
| C[N+]1(CCCC(O)CC[N+]2(C)CCCC2)CCCC1,CI,0 | |
| CC1(C)c2ccccc2-c2nc3ccccc3cc2C1N1CCOCC1,CI,0 | |
| c1ccc(-c2cc(N3CCOCC3)c3ccccc3n2)cc1,CI,0 | |
| CCC1(CC)COP(=O)(Oc2ccccc2)OC1,CI,0 | |
| C[N+]1(C)COC(=S)S[Fe-4]123(SC(=S)OC[N+]2(C)C)SC(=S)OC[N+]3(C)C,CI,0 | |
| C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21,CI,0 | |
| Oc1cccc(C=Cc2ccncc2)c1,CI,0 | |
| Oc1ccc(C=Cc2cnccn2)cc1,CI,0 | |
| CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,CI,0 | |
| O=C(c1no[n+]([O-])c1C(=O)c1csc2ccccc12)c1csc2ccccc12,CI,0 | |
| O=S1(=O)c2ccccc2S(=O)(=O)c2ccccc21,CI,0 | |
| O=C(CCSCCC(=O)NNc1ccccc1)NNc1ccccc1,CI,0 | |
| CC(NCCNC(C)c1cccnc1)c1cccnc1,CI,0 | |
| CC[N+](C)(CC)CCC[N+]12CCC(CC1)CC2,CI,0 | |
| CC1=[O+][Cu-3]23[O+]=C(C)CC(C)=[N+]2C(C)C[N+]3=C(C)C1,CI,0 | |
| C1CN(SSN2CCSCC2)CCS1,CI,0 | |
| C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCC(CCCCCCCC2CC[N+](C)(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1,CI,0 | |
| CCC1(O)CC(OC2CC(N(C)C)C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC,CI,0 | |
| CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC,CI,0 | |
| CC1=CC2=[N+]3C1=Cc1cc(C)c4n1[Pd-2]31n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2,CI,0 | |
| CCC1(O)CCCC2C3CCC4CC(=O)CCC4(C)C3C(=O)CC21C,CI,0 | |
| CC(=O)Nc1ccc(S(=O)(=O)NN=C(C)C2CCOC2=O)cc1,CI,0 | |
| Nc1ccc(S(=O)(=O)NN=Cc2ccc3c(c2)OCO3)cc1,CI,0 | |
| c1ccc(Cn2cc(CCc3ccncc3)c3ccccc32)cc1,CI,0 | |
| C=Cc1cc[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cc1,CI,0 | |
| O=C1CC(=O)N(CCc2ccncc2)C(=O)N1CCc1ccncc1,CI,0 | |
| O=C1CC(=O)N(CCc2ccccn2)C(=O)N1CCc1ccccn1,CI,0 | |
| OC(CNc1ccccn1)c1ccccc1,CI,0 | |
| C[N+]1(CCN[N+]2(C)CCCCC2)CCc2ccccc2C1,CI,0 | |
| CCOC(=O)C1=C(C)C2=Cc3c(C)c(C(=O)OCC)c(C)n3[Cu-3]3(n4c(C)c(C(=O)OCC)c(C)c4C=C4C(C)=C(C(=O)OCC)C(C)=[N+]43)[N+]2=C1C,CI,0 | |
| CN1C(=O)CCC2(c3ccccc3)CC=C(O)C=C12,CI,0 | |
| CN(NC(=O)Nc1cccc2ccccc12)c1ccccc1,CI,0 | |
| CC(=O)Nc1ccc(S(=O)(=O)NN=C2CCCC2)cc1,CI,0 | |
| NCCOB(c1ccccc1)c1ccccc1,CI,0 | |
| S=C1NC(C=Cc2ccccc2)N2C(=S)NC(C=Cc3ccccc3)N12,CI,0 | |
| SC1N=C(c2ccccc2)N2C(S)N=C(c3ccccc3)N12,CI,0 | |
| S=C1NC2(CCCCC2)N2C(=S)NC3(CCCCC3)N12,CI,0 | |
| SC1N=C(c2ccco2)N2C(S)N=C(c3ccccc3)N12,CI,0 | |
| Nc1nc(O)c2c(n1)Cc1c(O)nc(N)nc1C2,CI,0 | |
| O=S1c2ccccc2S(=O)c2ccccc21,CI,0 | |
| S=C(NNc1ccccc1)SSSC(=S)NNc1ccccc1,CI,0 | |
| S=C(NCCNC(=S)SSC(=S)NNc1ccccc1)SSC(=S)NNc1ccccc1,CI,0 | |
| OCC1OC2NC(=S)OC2C(O)C1O,CI,0 | |
| C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C=C)c4n1[Fe-2]31n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2,CI,0 | |
| c1csc([As](O[As](c2cccs2)c2cccs2)c2cccs2)c1,CI,0 | |
| CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3n(-c3ccccc3)c2c1,CI,0 | |
| c1ccc2c3c(ccc2c1)O[Fe-4]12(Oc4ccc5ccccc5c4N=[O+]1)(Oc1ccc4ccccc4c1N=[O+]2)[O+]=N3,CM,1 | |
| c1ccc2c(c1)C1=Nc3c4ccccc4c4n3[Cu-3]35n6c(c7ccccc7c6=NC6=[N+]3C(=N4)c3ccccc36)=NC2=[N+]15,CI,0 | |
| c1ccc2c(c1)c1ccccc1n2-n1c2ccccc2c2ccccc21,CI,0 | |
| c1ccc2c(c1)Sc1ccccc1C2=C1c2ccccc2Sc2ccccc21,CI,0 | |
| O=c1c2ccccc2c(=O)c2c1c1c(=O)c3ccccc3c(=O)c1c1c(=O)c3ccccc3c(=O)c21,CI,0 | |
| CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O,CI,0 | |
| COC(=O)C1=COC(C)C2C[n+]3ccc4c([nH]c5ccccc54)c3CC12,CI,0 | |
| OCC(O)C1O[Sb](O)(O)(O)OC1C(O)CO,CI,0 | |
| CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1,CI,0 | |
| C#CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C,CM,1 | |
| CC(=O)SC1CC(=O)C=C2CCC3C4CCC(=O)OC4(C)CCC3C21C,CI,0 | |
| Cc1ccc2nc(-c3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4O)cc3)sc2c1S(=O)(=O)O,CI,0 | |
| S=C(SSSSC(=S)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1,CI,0 | |
| S=C(NC1CCCCC1)SSSSC(=S)NC1CCCCC1,CI,0 | |
| S=C(NC1CCCCC1)SSSC(=S)NC1CCCCC1,CI,0 | |
| S=C1NC2(CCCCC2)C2=C(CCCC2)S1,CI,0 | |
| CCOC(=O)SC1=NC(C)=CC(C)(C)S1,CI,0 | |
| S=C(SSSC(=S)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1,CI,0 | |
| O=C(c1ccccc1)N1CN(C(=O)c2ccccc2)CN(C(=O)c2ccccc2)C1,CI,0 | |
| CC1Nc2c(ccc3ncccc23)C(=O)N1Nc1ccccc1,CI,0 | |
| CCCC1OC(CCC)C2CCCOC2O1,CI,0 | |
| CCC1(CC)COP(=S)(S)OC1,CI,0 | |
| CC1CN2COC(=S)SSSSC(=S)OCN3CC(C)N(COC(=S)SSSSC(=S)OCN1CC2C)CC3C,CI,0 | |
| O=P(Oc1ccccc1)(Oc1ccccc1)N1CCOCC1,CI,0 | |
| N=C(NC(=N)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)Nc1ccc(Br)cc1,CI,0 | |
| Cn1c(=O)c2c(nc(CCCCCc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n2C)n(C)c1=O,CI,0 | |
| CN1C(=O)N(C)C2SC(NCc3ccccc3)=NN2C1=O,CI,0 | |
| COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.Cn1c(=O)c2nc(Br)[nH]c2n(C)c1=O,CI,0 | |
| CC(=O)Nc1ccc(SSc2ccc(NC(C)=O)c3cccnc23)c2ncccc12,CI,0 | |
| O=C1NC(=O)C(CCSSCCC2NC(=O)NC2=O)N1,CI,0 | |
| NC1=NC(N)=N1,CI,0 | |
| COc1ccc(C(=O)C2=NON3OC23C(=O)c2ccc(OC)cc2)cc1,CI,0 | |
| COc1ccc2nc(CC(=N)c3ccc(N(C)C)cc3)ccc2c1,CI,0 | |
| CN1C(=O)C(=O)n2c(cc3ccccc32)C1=O,CI,0 | |
| CN(C)c1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1,CI,0 | |
| COc1cc(C=C2CCOC2=O)ccc1OCc1ccccc1,CI,0 | |
| O=C1OCCC1=Cc1ccc2c(c1)OCO2,CI,0 | |
| CC1OC(=O)C2=C1C(=O)CC(C)(C)O2,CI,0 | |
| S=C1SCN2CCN3CSC(=S)N(CCN1C2)C3,CI,0 | |
| CN1CCCCC(C(O)(c2ccccc2)c2ccccc2)C1=O,CI,0 | |
| CCN(CC)c1ccc(C=Cc2n(C)c3ccccc3[n+]2-c2ccccc2)cc1,CI,0 | |
| Oc1nc2ccccc2c(O)c1CCCC1CCCCC1,CI,0 | |
| Cc1cc[n+](C2=C(O)C(=O)C3=C(C2=O)C2c4ccccc4C3c3ccccc32)c(C)c1,CI,0 | |
| O=C1CSC2=NCCN12,CI,0 | |
| Cc1ccc2c(c1)CSCCO2,CI,0 | |
| OC1COc2ccc(Cl)cc2CSC1,CI,0 | |
| CC(CNc1ccc(Cl)cc1)(CNc1ccc(Cl)cc1)[N+](=O)[O-],CI,0 | |
| Cn1c(=O)c2c(nc(NCC[N+](C)(C)Cc3ccc(Cl)cc3)n2C)n(C)c1=O,CI,0 | |
| Cc1cc(N)c2cc(NC(=O)CCCCCCCCC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1,CI,0 | |
| CC1(C)C2CC3OC3(C)C1C2,CI,0 | |
| O=[N+]([O-])c1ccc(S(=O)(=O)NN=Cc2cccc3ccccc23)cc1,CI,0 | |
| O1[SiH]2[SiH]3O[SiH]3[SiH]3O[SiH]3[SiH]12,CI,0 | |
| Cc1cc2c(C(C)C)c(O)c(O)c(C=NCc3ccoc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NCc3ccco3)c2c1O,CI,0 | |
| O=C1OC2OC3OC(=O)C4C3CC2C14,CI,0 | |
| N=c1[nH]c(=O)c2nn(-c3ccc(C(=O)O)cc3)nc2[nH]1,CI,0 | |
| O=C(O)c1cc(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2)ccc1O,CI,0 | |
| Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1N=Nc1ccc(-c2ccc(N=Nc3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)c2)cc1,CM,1 | |
| CC1(C)Nc2cccc3c(N=Nc4ccc(N=Nc5ccccc5)c5ccccc45)ccc(c23)N1,CI,0 | |
| Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N,CI,0 | |
| O=C1OS(=O)(=O)c2ccccc21,CI,0 | |
| CC(=O)Oc1ccc2c(oc(=O)c3nc(C)oc32)c1C,CI,0 | |
| OC1CN=C2C=CC=CN2C1,CI,0 | |
| Cc1ccc(N=Nc2ccc(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c2O)c(C)c1,CI,0 | |
| S=P(N1CCOCC1)(N1CC1)N1CC1,CI,0 | |
| COc1ccc2c(c1OC)C(=O)OC2c1c2c(c(OC)c3c1OCO3)C(C1OC(=O)c3c1ccc(OC)c3OC)N(C)CC2,CI,0 | |
| C1=C(c2ccccc2)Nc2ccccc2N=C1c1ccccc1,CI,0 | |
| COc1ccc2c(c1OC)CC1COCC21,CI,0 | |
| COc1ccc2nc(C)cc(NCCCCCCCCCNc3cc(C)nc4ccc(OC)cc34)c2c1,CI,0 | |
| CC(=O)C1CCC2C1(C)CC=C1C23C=CC2(CC(O)CCC12C)C(C(=O)O)C3C(=O)O,CI,0 | |
| C1CN1c1nc(N2CC2)nc(N2CC2)n1,CI,0 | |
| CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,CI,0 | |
| O=S(=O)(O)c1ccc(NN(c2c(O)ccc3ccccc23)S(=O)(=O)O)cc1,CI,0 | |
| Cc1ncc2c(n1)NC(=O)NC2,CI,0 | |
| Oc1nnc(O)c2c1[nH]c(=S)n2-c1ccccc1,CI,0 | |
| CN(C)c1ccc2nc3c(ccc4ccccc43)[o+]c2c1,CI,0 | |
| CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,CM,1 | |
| CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,CI,0 | |
| CC(=O)C1CCC2C1(C)CC1OC13C21C=CC2(CC(O)CCC23C)C2C(=O)OC(=O)C21,CI,0 | |
| O=C(OCCN1CCCC12CCCCC2)C(c1ccccc1)C1CCCC1,CI,0 | |
| CCCC(C(=O)OCC(C)N1CCCC1(C)C)C1CCCC1,CI,0 | |
| CC1(C)SSC(C)(C)SS1,CI,0 | |
| O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,CI,0 | |
| CC[n+]1c2ccc(C)cc2nc2c3ccccc3c(N)cc21,CI,0 | |
| O=C1C(=C2Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21,CI,0 | |
| Oc1ccccc1C1SC(c2ccccc2O)SC(c2ccccc2O)S1,CI,0 | |
| CC(C)(C)CC(C)(C)SSc1n[nH]c(=S)s1,CI,0 | |
| N=c1nc2[nH][nH]c(=N)n2c(=N)[nH]1,CI,0 | |
| O=C1C=C2C(=CCOC2O)O1,CI,0 | |
| O=S(=O)(O)c1cccc2c(N=Nc3ccc(N=Nc4ccc(Nc5ccccc5)c5c(S(=O)(=O)O)cccc45)c4ccccc34)cccc12,CI,0 | |
| Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3)c(O)c12,CI,0 | |
| [O-][N+]1=c2c([nH]c3ccccc23)=[O+][Cu-3]12[O+]=c1[nH]c3ccccc3c1=[N+]2[O-],CI,0 | |
| CC(=O)C1C(=O)OC2C3C=CC(C3)C2C1=O,CI,0 | |
| O=C1C2=C(C(=O)c3ccccc31)C(O)(S(=O)(=O)O)C(O)(S(=O)(=O)O)C1N=CC=CC21,CI,0 | |
| Cc1cc(O)n2cnnc2n1,CI,0 | |
| CC1OC(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O,CI,0 | |
| CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C,CI,0 | |
| O=C1C[N+]23CC[N+]45CC(=O)O[Cu-5]24(O1)(OC(=O)C3)OC(=O)C5,CI,0 | |
| O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O,CI,0 | |
| O=S(=O)(O)c1cc2ccc1ccc1ccc(cc1S(=O)(=O)O)nnc1ccc(ccc3ccc(cc3S(=O)(=O)O)nn2)c(S(=O)(=O)O)c1,CA,1 | |
| O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21,CI,0 | |
| S=C1SCCS1,CI,0 | |
| O=C1CSC(=O)N1,CI,0 | |
| OC(=C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1,CI,0 | |
| O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1,CI,0 | |
| CC(CCN1CCN(CCC(C)CC(C)(C)C)S1(=O)=O)CC(C)(C)C,CI,0 | |
| S=P(N1CC1)(N1CC1)N1CC1,CI,0 | |
| Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O,CM,1 | |
| O=c1c2cc3c(=O)n(O)c(=O)c3cc2c(=O)n1O,CI,0 | |
| CC1CCCC2(C1)OCC(O)CO2,CI,0 | |
| CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C,CI,0 | |
| CN(C)C(=O)N1CC[N+](C)([O-])CC1,CI,0 | |
| CC1CCCN1c1ccnc2cc(Cl)ccc12,CI,0 | |
| O=[N+]([O-])c1ccc(S(=O)(=O)NN2CCOCC2)cc1,CI,0 | |
| CC1=[O+][Cu-3]2([O+]=C(C)CC(Nc3ccccc3)=[O+]2)[O+]=C(Nc2ccccc2)C1,CI,0 | |
| C1CCc2nnnn2CC1,CI,0 | |
| Nc1ccc2c(c1)N[Cu-3]1(Nc3cc(N)ccc3O1)O2,CI,0 | |
| CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1,CI,0 | |
| CC(=NN=C(C)C1CC(CC(=O)O)C1(C)C)C1CC(CC(=O)O)C1(C)C,CI,0 | |
| CC1OC(OC2C(COc3cc(O)c4c(c3)OC(c3ccc(O)cc3)CC4=O)OOC(CO)C2O)C(O)C(O)C1O,CI,0 | |
| O=c1c2ccccc2c2ccc3c4ccc5c(=O)c6ccccc6c6ccc(c7ccc1c2c73)c4c56,CI,0 | |
| Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12,CI,0 | |
| O=C(O)CC1OCC=C2CN3CCC45C6=CC(=O)C(=O)C([N+](=O)[O-])=C6NC4C1C2CC35,CI,0 | |
| O=C(N=Nc1ccccc1)NNc1ccccc1.O=C(NNc1ccccc1)NNc1ccccc1,CI,0 | |
| Cc1ccc2nc(-c3ccc(N=NNc4ccc(-c5nc6ccc(C)c(S(=O)(=O)O)c6s5)cc4)cc3)sc2c1S(=O)(=O)O,CI,0 | |
| c1ccc(N2N=C3N(c4ccccc4)C2N3c2ccccc2)cc1,CI,0 | |
| CC(C)=C1C=C2CCC3C(C)(C(=O)O)CCCC3(C)C2CC1,CI,0 | |
| Cc1n[nH]c2c(N(C)C)ncnc12,CI,0 | |
| S=C(SSSSC(=S)N1CCCCC1)N1CCCCC1,CI,0 | |
| O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12,CI,0 | |
| Oc1ccc(O)c([PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1,CI,0 | |
| O=C1CSC(=O)N1c1ccccc1,CI,0 | |
| CN1CSC(=S)N(C)C1,CI,0 | |
| CC1=[O+][Zr]234([O+]=C(C)C1)([O+]=C(C)CC(C)=[O+]2)([O+]=C(C)CC(C)=[O+]3)[O+]=C(C)CC(C)=[O+]4,CI,0 | |
| CC1=[O+][V-]2(=O)([O+]=C(C)C1)[O+]=C(C)CC(C)=[O+]2,CI,0 | |
| S=c1[nH][nH]c(=S)s1,CM,1 | |
| CC12CCC(C(=O)OC1=O)C2(C)C,CI,0 | |
| CCCC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CCCC(=O)CC(O)C(CC)C(=O)O1.O=S(=O)(O)O,CI,0 | |
| O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccccc1SSc1ccccc1C(=O)NN=Cc1ccc(Cl)cc1Cl,CM,1 | |
| Nc1nc(N)nc(SCCOCCSc2nc(N)nc(N)n2)n1,CI,0 | |
| C1CN2CN1CN1CCN(C1)C2,CI,0 | |
| Nc1nc(N)nc(-c2ccccc2-c2nc(N)nc(N)n2)n1,CI,0 | |
| c1ccc(C2=NC3(CCCCC3)N=C2c2ccccc2)cc1,CI,0 | |
| Cc1ccc(S(=O)(=O)Nc2cccc3c(O)ncnc23)cc1,CI,0 | |
| C1COCCN1.S=C(S)N1CCOCC1,CI,0 | |
| O=C(Oc1cccc2cccnc12)c1ccccc1,CI,0 | |
| O=C1O[Cu-3]2(Nc3ccccc31)Nc1ccccc1C(=O)O2,CI,0 | |
| [O-][N+]1=Cc2ccc[o+]2[Cu-3]12[N+]([O-])=Cc1ccc[o+]12,CI,0 | |
| CC(=O)Nc1c2sscc-2n(C)c1=O,CI,0 | |
| c1ccc2c(c1)SC1=[S+][Cu-3]3([S+]=C4Sc5ccccc5N43)N12,CI,0 | |
| Oc1nnc(O)c2ncccc12,CI,0 | |
| CC1C(=O)N2C(=O)C(C)C(C)C(=O)N2C(=O)C1C,CI,0 | |
| Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)N2C=O,CI,0 | |
| Cc1oc(C)c2c1C(=O)c1ccccc1C2=O,CI,0 | |
| O=S(=O)(Cc1ccccc1)c1cc(O)nc(O)n1,CI,0 | |
| CCC(C)OC(=O)c1ccccc1C(=O)O.COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5C4C3,CI,0 | |
| CCC(C(=O)O)c1ccc([N+](=O)[O-])cc1.COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43,CI,0 | |
| CCCCCC(O)C1C(=O)OC(C)C(O)C=CC=CC=CC=CC=C(C)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC1O,CI,0 | |
| CNC(=O)C(C)C1C(=O)C(=C(O)C=CC(C)=CC(C)C2OC3(C)OC(C=CC34CO4)C2C)C(=O)N1C1CCC(O)C(C)O1,CI,0 | |
| CC(=O)OC1CCC2(C)C3=CCC4(C)C(C(C)=O)CCC4C34C=CC2(C1)C1C(=O)OC(=O)C14,CI,0 | |
| Cn1c(SSc2ccc(-c3cccnc3)n2C)ccc1-c1cccnc1,CI,0 | |
| C[N+]1=Cc2ccccc2O[Cu-3]12Oc1ccccc1C=[N+]2C,CI,0 | |
| Oc1nc(O)c2nnoc2n1,CI,0 | |
| Nc1cc([As]=[As]c2ccc(O)c(N)c2)ccc1O,CI,0 | |
| COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1,CI,0 | |
| Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O,CI,0 | |
| CC(C)c1ccc2c(c1)CCC1C2(C)CCCC1(C)C(O)c1ccccc1,CI,0 | |
| O=C1C[N+]23CC[N+]45CC(=O)O[Ni-4]24(O1)(OC(=O)C3)OC(=O)C5,CI,0 | |
| O=C1O[Al]23(OC1=O)(OC(=O)C(=O)O2)OC(=O)C(=O)O3,CI,0 | |
| O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O,CI,0 | |
| ClC(Cl)(Cl)C1OCOC(C(Cl)(Cl)Cl)OCO1,CI,0 | |
| O=S1(=O)CS(=O)(=O)CS(=O)(=O)C1,CI,0 | |
| O=S1(=O)CCCc2c1ccc1ccccc21,CI,0 | |
| CCN(CC)CC.O=C(Nc1ccc(Cl)cc1)P(=O)(O)c1ccccc1,CI,0 | |
| CC12CCC(CC1)C(C)(C)NC(=N)S2,CI,0 | |
| Cc1cc(SCC(=O)c2ccccc2[N+](=O)[O-])cc(C)[o+]1,CI,0 | |
| N=C1NC(=O)C(c2ccccc2)S1,CI,0 | |
| COC1C(OC(N)=O)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C,CI,0 | |
| O=C1C(O)=C(CCCC2CCC3CCCCC3C2)C(=O)c2ccccc21,CI,0 | |
| C1CCNCC1.S=C(S)N1CCCCC1,CI,0 | |
| CCc1cc[n+]([Mn](SC#N)(SC#N)([n+]2ccc(CC)cc2)([n+]2ccc(CC)cc2)[n+]2ccc(CC)cc2)cc1,CI,0 | |
| O=C1O[Cu-5]2(O)(O)(OC1=O)OC(=O)C(=O)O2,CI,0 | |
| CC(=O)OC1COC(c2ccccc2)OC1C1OC(c2ccccc2)OCC1OC(C)=O,CI,0 | |
| O=C(Nc1ccccc1)OCC1OCOC(COC(=O)Nc2ccccc2)C1OC(=O)Nc1ccccc1,CI,0 | |
| C1C[S+]2CC[S+]1CC2,CI,0 | |
| c1ccn2nncc2c1,CI,0 | |
| c1ccn2nnnc2c1,CI,0 | |
| CC1CC(C)(C)OB(OC(C)CC(C)(C)OB2OC(C)CC(C)(C)O2)O1,CI,0 | |
| CN(C)C1=[S+][Zn-2]2(S1)SC(N(C)C)=[S+]2,CI,0 | |
| O=C(OOC(=O)c1ccccc1)c1ccccc1,CI,0 | |
| S=P(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1,CI,0 | |
| CC(C)N(C(C)C)P(=O)(OP(=O)(c1ccc([N+](=O)[O-])cc1)N(C(C)C)C(C)C)c1ccc([N+](=O)[O-])cc1,CI,0 | |
| O=C1C(O)=C(CCCc2ccc(Oc3ccccc3)cc2)C(=O)c2ccccc21,CI,0 | |
| O=P(Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1,CI,0 | |
| CC1=C2C(=COC(C)C2C)C(O)=C(C(=O)O)C1=O,CI,0 | |
| CC(=O)N1c2ccccc2Sc2c1ccc1ccccc21,CI,0 | |
| C(=Cc1ccccc1)C1=[O+][Cu-3]2([O+]=C(C=Cc3ccccc3)CC(c3ccccc3)=[O+]2)[O+]=C(c2ccccc2)C1,CI,0 | |
| CCC1=[O+][Cu-3]2([O+]=C(CC)C1)[O+]=C(CC)CC(CC)=[O+]2,CI,0 | |