Datasets:
| smiles,selfies,target | |
| O=C(N[C@@H]1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1,[O][=C][Branch2][Ring2][Ring2][N][C@@H1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch1][C][C][Ring1][Branch1][C][Ring2][Ring1][Ring2][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2],0 | |
| CCOCCOCCOCCO,[C][C][O][C][C][O][C][C][O][C][C][O],0 | |
| CC(C)CC(C)O,[C][C][Branch1][C][C][C][C][Branch1][C][C][O],0 | |
| CCCCCCCCCCCCCC(=O)OCC(O)CO,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O],0 | |
| O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,[O][=C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][Branch1][C][Cl][Branch1][C][Cl][Cl],0 | |
| O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,[O][=C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl],0 | |
| C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]1CC2,[C][C@@][C][C][C][C@H1][Ring1][Branch1][C@@H1][C][C][C@H1][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][C][Ring2][Ring1][Ring1],0 | |
| CC(C)C[C@H](CN)CC(=O)O,[C][C][Branch1][C][C][C][C@H1][Branch1][Ring1][C][N][C][C][=Branch1][C][=O][O],0 | |
| C=CC(C)=CCC=C(C)C,[C][=C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][C][C],0 | |
| C=CCc1ccccc1O,[C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O],0 | |
| CC(C)[C@H]1CC[C@@H](C)CC1=O,[C][C][Branch1][C][C][C@H1][C][C][C@@H1][Branch1][C][C][C][C][Ring1][#Branch1][=O],0 | |
| CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1,[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][/C][Ring1][#Branch2][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0 | |
| CC(C)N(C)C,[C][C][Branch1][C][C][N][Branch1][C][C][C],0 | |
| CCCN(CCC)CCc1cccc2c1CC(=O)N2,[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1],0 | |
| O=c1[n-]c2[nH]c(=O)[nH]c(=O)c2[nH]1,[O][=C][N-1][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][NH1][Ring1][O],0 | |
| O=C1N=C2SCCN2C(=O)C1Cc1ccc(Cl)cc1,[O][=C][N][=C][S][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0 | |
| O=C(CCCN1CCN2CCCC2C1)c1ccc(F)cc1,[O][=C][Branch1][P][C][C][C][N][C][C][N][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],0 | |
| O=C(O)COc1nc(Cl)c(Cl)cc1Cl,[O][=C][Branch1][C][O][C][O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl],0 | |
| CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,[C][N][C][C][C][C][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Ring2][Ring1][Branch1],0 | |
| CC(C)(CCl)C(=O)Cl,[C][C][Branch1][C][C][Branch1][Ring1][C][Cl][C][=Branch1][C][=O][Cl],0 | |
| O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,[O][=P][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CCC(=O)OC/C=C/c1ccccc1,[C][C][C][=Branch1][C][=O][O][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CCCCOCC(C)OCC(C)O,[C][C][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O],0 | |
| c1ccc(-c2nc[nH]c2-c2ccccc2)cc1,[C][=C][C][=C][Branch1][S][C][N][=C][NH1][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P],1 | |
| CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1,[C][C][Branch1][C][C][S][C@@H1][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C][C@H1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O].[C][C][Branch1][C][C][S][C@@H1][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C][C@H1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O].[C][=C][C][=C][Branch1][#C][C][N][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C],0 | |
| NC(N)=S,[N][C][Branch1][C][N][=S],0 | |
| CCCCCCCCCCCC(=O)O.OCCN(CCO)CCO,[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O].[O][C][C][N][Branch1][Ring2][C][C][O][C][C][O],0 | |
| Cc1nc(C)c(Cl)c(O)c1Cl,[C][C][=N][C][Branch1][C][C][=C][Branch1][C][Cl][C][Branch1][C][O][=C][Ring1][=Branch2][Cl],0 | |
| ClCCOCOCCCl,[Cl][C][C][O][C][O][C][C][Cl],0 | |
| NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F],1 | |
| CCCCCCCCCCCCCCCC/C=C/C1CC(=O)OC1=O,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][/C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=O],0 | |
| [O-][n+]1ccccc1S[Zn]Sc1cccc[n+]1[O-],[O-1][N+1][=C][C][=C][C][=C][Ring1][=Branch1][S][Zn][S][C][=C][C][=C][C][=N+1][Ring1][=Branch1][O-1],1 | |
| O=[Mo](=O)=O,[O][=Mo][=Branch1][C][=O][=O],0 | |
| CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1,[C][O][/N][=C][Branch2][Ring2][=N][\C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][=C][C][S][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][S][C@H1][Ring2][Ring1][Branch1][Ring2][Ring1][C][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1],0 | |
| COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C,[C][O][C][C][=Branch1][C][=O][O][C@][Branch2][Ring1][#Branch1][C][C][N][Branch1][C][C][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C@@H1][Ring2][Ring1][O][C][Branch1][C][C][C],0 | |
| COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2,[C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1],0 | |
| O=[N+]([O-])/C=C/c1ccccc1,[O][=N+1][Branch1][C][O-1][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1],1 | |
| O=C1NC(=O)c2cccc3cccc1c23,[O][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=N][=C][Ring1][#Branch2][Ring1][=Branch1],0 | |
| CNC(=O)O/N=C/C(C)(C)S(C)(=O)=O,[C][N][C][=Branch1][C][=O][O][/N][=C][/C][Branch1][C][C][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O],0 | |
| CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-].[Zn+2],[C][C][C][Branch1][C][C][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O-1].[C][C][C][Branch1][C][C][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O-1].[Zn+2],0 | |
| CCCCCCCCCCCCCCBr,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][Br],0 | |
| C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,[C][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][Cl][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][C][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][Cl],0 | |
| Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=S][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1],0 | |
| O=S(=O)([O-])CCCS(=O)(=O)[O-],[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1],0 | |
| CC(C)(C)c1cc(/C=C2\SC(=N)NC2=O)cc(C(C)(C)C)c1O,[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=N][N][C][Ring1][=Branch1][=O][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][O],0 | |
| CC(C)(CC(=O)O)C(=O)O,[C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O],0 | |
| CC(C)C(O)C(C)(C)CO,[C][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O],0 | |
| CC(O)(P(=O)(O)O)P(=O)(O)O,[C][C][Branch1][C][O][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O],0 | |
| ClCc1ccccn1,[Cl][C][C][=C][C][=C][C][=N][Ring1][=Branch1],0 | |
| c1ccc2c(c1)ccc1ccccc12,[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O],0 | |
| Cc1nc[nH]c1CN1CCc2c(c3ccccc3n2C)C1=O,[C][C][N][=C][NH1][C][=Ring1][Branch1][C][N][C][C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Ring1][=C][=O],0 | |
| CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1],0 | |
| O=C(O)CO,[O][=C][Branch1][C][O][C][O],0 | |
| COP(=O)(OC)OC,[C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C],0 | |
| CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1,[C][C][Branch1][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0 | |
| CCCCCCCCBr,[C][C][C][C][C][C][C][C][Br],0 | |
| OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O,[O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][S][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O],1 | |
| CC(N)Cc1ccc2c(c1)OCO2,[C][C][Branch1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],0 | |
| Cc1ccc(N)c([N+](=O)[O-])c1,[C][C][=C][C][=C][Branch1][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2],0 | |
| CCCCC(CC)C(=O)O,[C][C][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O],0 | |
| O=Cc1c2ccccc2c(Cl)c2ccccc12,[O][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1],0 | |
| COCCOCCOCCOCCO,[C][O][C][C][O][C][C][O][C][C][O][C][C][O],0 | |
| O=C(Cc1ccccc1)OCCc1ccccc1,[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CNC(=O)CSP(=O)(OC)OC,[C][N][C][=Branch1][C][=O][C][S][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C],0 | |
| O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2],0 | |
| O=C(O)c1c(Cl)ccc(Cl)c1Cl,[O][=C][Branch1][C][O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl],0 | |
| CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O,[C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch2][=Branch1][#C][O][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Ring1][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@@][Ring2][Ring2][Branch1][Branch1][C][C][O][O][C@H1][Branch1][C][C][C][C@@H1][Ring2][Ring2][#C][N][Branch1][C][C][C].[C][C][C][C][C][C][C][C][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O],0 | |
| Cc1c(C(=O)O)cccc1[N+](=O)[O-],[C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1],0 | |
| Nc1ccc(N=Nc2ccccc2)c(N)n1,[N][C][=C][C][=C][Branch1][O][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=N][Ring1][#C],1 | |
| O=C1CCCCCCCCCCC(=O)OCCO1,[O][=C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][O][Ring1][P],0 | |
| C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-],[C][C@][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C@@H1][C@@H1][Ring1][O][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1],0 | |
| CCN(CC)CCO,[C][C][N][Branch1][Ring1][C][C][C][C][O],0 | |
| COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][C][=C][Ring1][#C][N+1][=Branch1][C][=O][O-1],0 | |
| Clc1ccc(Cl)c(Cl)c1Cl,[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl],0 | |
| Cc1cc(CCN2CCN(c3nsc4ccccc34)CC2)cc2c1NC(=O)CC2(C)C,[C][C][=C][C][Branch2][Ring1][#Branch2][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][=C][C][=C][Ring2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][Ring1][#Branch1][Branch1][C][C][C],0 | |
| CO.COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl,[C][O].[C][O][C][=C][C][Branch2][Ring2][O][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][Branch1][S][O][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Ring1][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][P][Cl],1 | |
| CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,[C][N][C][C][C][C@@H1][Ring1][Branch1][C][C][=C][NH1][C][=C][C][=C][Branch2][Ring1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][P],0 | |
| C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,[C][C@][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C@H1][C@@H1][C][C][C@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C@@][Ring1][#Branch2][Branch1][C][C][C][C@H1][Branch1][C][O][C@@][Ring1][S][Ring2][Ring1][=Branch2][F],0 | |
| Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O,[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@@H1][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C@H1][Ring2][Ring1][Branch1][O],0 | |
| CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][N][=C][Branch1][C][C][O][C@@H1][Ring1][=Branch1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C@@H1][Branch1][C][O][C][C@@][Ring1][P][Ring2][Ring1][Branch2][C],0 | |
| Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)O,[C][C][=C][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][C][Ring1][N][=C][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][O],0 | |
| COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1,[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][C][=C][C][=C][Branch1][N][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2],0 | |
| O=C(O)CCCl,[O][=C][Branch1][C][O][C][C][Cl],0 | |
| C[C@](N)(Cc1ccc(O)cc1)C(=O)O,[C][C@][Branch1][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O],0 | |
| ClCCCCBr,[Cl][C][C][C][C][Br],0 | |
| COc1cc(CC(C)C)cc(OC)c1OC,[C][O][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C],0 | |
| COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=Branch2][Ring1][=C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch1][C][C][C@@H1][Ring1][O][C][Ring2][Ring1][P][O][C][O][Ring2][Ring1][Branch1][C][C][N][Ring2][Ring1][N][C],0 | |
| C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCC(=O)[O-])[C@@]2(C)C=CC(=O)C=C12,[C][C@H1][C][C@@H1][C@H1][Branch2][Ring2][=Branch1][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O-1][C@@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring1][P][Ring1][Branch2],0 | |
| O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1,[O][=N+1][Branch1][C][O-1][/N][=C][\N][C][C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1],0 | |
| COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC,[C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C],0 | |
| O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1,[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][C][Ring1][Branch1],0 | |
| CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC,[C][C][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][C][Br][=C][Ring1][=Branch2][O][C],0 | |
| CC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1,[C][C][Branch1][C][C][C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],0 | |
| O=C([O-])c1ccc2c(c1)nc(C(=O)NC1CCN(C3CC3)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1,[O][=C][Branch1][C][O-1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch2][N][Ring2][Ring1][C][C][C][C][=C][Branch1][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][O][N][=Ring1][O],0 | |
| O=[N+]([O-])c1cccc2ccccc12,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],0 | |
| CCNc1nc(NCC)nc(SC)n1,[C][C][N][C][=N][C][Branch1][Ring2][N][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][O],0 | |
| CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,[C][N][C][C][N][Branch2][Ring2][Ring1][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][C][C][C][Ring2][Ring1][O],0 | |
| CCCC(=O)OC/C=C(\C)CCC=C(C)C,[C][C][C][C][=Branch1][C][=O][O][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C],0 | |
| NCCNCCNCCNCCN,[N][C][C][N][C][C][N][C][C][N][C][C][N],0 | |
| ClCC=CCCl,[Cl][C][C][=C][C][Cl],0 | |
| CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C,[C][C][Branch1][C][C][Branch1][C][C][O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O][O][C][Branch1][C][C][Branch1][C][C][C],0 | |
| COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,[C][O][C][=Branch1][C][=O][C][=C][Branch1][Ring1][C][#N][N][C][Branch1][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][#C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0 | |
| CCc1cc(C(N)=S)ccn1,[C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=S][=C][C][=N][Ring1][=Branch2],0 | |
| CN1CCN2c3ccccc3Cc3ccccc3C2C1,[C][N][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring1],0 | |
| CCC1(CO)COCOC1,[C][C][C][Branch1][Ring1][C][O][C][O][C][O][C][Ring1][Branch2],0 | |
| CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@@H1][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C],0 | |
| CCCCCCCCCCCCCC[n+]1ccccc1,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CC1(C)C(/C=C\C=C/C=C\C=C2\N(CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21,[C][C][Branch1][C][C][C][Branch2][Ring2][=C][/C][=C][\C][=C][/C][=C][\C][=C][\N][Branch1][=N][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][Branch1][C][C][C][=N+1][Branch1][=N][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Ring2][Branch1][Ring2],0 | |
| CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,[C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][=Branch2][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C].[O][=S][=Branch1][C][=O][Branch1][P][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F],0 | |
| CCNC(=O)/C=C/c1cccc(Br)c1,[C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1],0 | |
| CCCCCCCCCCC1CO1,[C][C][C][C][C][C][C][C][C][C][C][C][O][Ring1][Ring1],0 | |
| CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)CSC#N)C2,[C][C][Branch1][C][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][C@H1][Branch1][#Branch2][O][C][=Branch1][C][=O][C][S][C][#N][C][Ring1][=C],0 | |
| Cc1cccc(C(=O)O)c1O,[C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][O],0 | |
| COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C2=NCCS2)c1CC(C)C,[C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][Branch2][C][=N][C][C][S][Ring1][Branch1][=C][Ring2][Ring1][C][C][C][Branch1][C][C][C],0 | |
| c1ccc2c(c1)sc1ccccc12,[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],0 | |
| CC(CC(C#N)(c1ccccc1)c1ccccc1)N(C)C,[C][C][Branch2][Ring1][=Branch2][C][C][Branch1][Ring1][C][#N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C],0 | |
| NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N,[N][C][=Branch1][C][=O][C][N][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=Ring1][=C][N],0 | |
| CN(CCCl)CCCl,[C][N][Branch1][Ring2][C][C][Cl][C][C][Cl],1 | |
| CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,[C][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][N][=O],0 | |
| CCc1nc(C)c[nH]1,[C][C][C][=N][C][Branch1][C][C][=C][NH1][Ring1][=Branch1],0 | |
| CC(N)CCCC(C)(C)O,[C][C][Branch1][C][N][C][C][C][C][Branch1][C][C][Branch1][C][C][O],0 | |
| CCN(CC)CCNc1ccc(CNC=O)c2sc3ccc(OC)cc3c(=O)c12,[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=C][C][=C][Branch1][Branch1][C][N][C][=O][C][S][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1][=Ring1][=N],1 | |
| COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@@H]1O,[C][O][C][=Branch1][C][=O][C@H1][C@H1][C][C@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][C@H1][Ring1][P][C][C][C@@H1][Ring2][Ring1][Branch1][O],0 | |
| CCC[n+]1ccn(C)c1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,[C][C][C][N+1][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1][C].[O][=S][=Branch1][C][=O][Branch1][P][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F],0 | |
| CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,[C][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][S],0 | |
| O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,[O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][S],0 | |
| CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O,[C][C][Branch1][C][C][Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][=O],0 | |
| O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring1][#Branch2],0 | |
| CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1,[C][C][Branch1][C][C][C][C][C][=Branch1][=N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C][Branch1][C][O][C][N][C][=N][C][=N][Ring1][Branch1],0 | |
| CC12CCCC=C1C(=O)OC2=O,[C][C][C][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O],0 | |
| COc1ccc(CCC(C)=O)cc1,[C][O][C][=C][C][=C][Branch1][Branch2][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O],0 | |
| O=C(O)c1cc(O)c(O)c(O)c1,[O][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2],0 | |
| N#CCC(=O)NN,[N][#C][C][C][=Branch1][C][=O][N][N],0 | |
| CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,[C][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch1],0 | |
| O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O,[O][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O],0 | |
| CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21,[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2],0 | |
| O=C(O)CC(=O)O,[O][=C][Branch1][C][O][C][C][=Branch1][C][=O][O],0 | |
| c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,[C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][=Branch2][C][C][=N][C][C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2],0 | |
| O=C(O)CCl,[O][=C][Branch1][C][O][C][Cl],0 | |
| CC(=O)N[C@@H](CS)C(=O)O,[C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O],0 | |
| O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)[O-])c1,[O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring1][=N],0 | |
| N#C/C(=C1\SCC(c2ccccc2Cl)S1)n1ccnc1,[N][#C][/C][=Branch2][Ring1][Ring1][=C][\S][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring1][N][N][C][=C][N][=C][Ring1][Branch1],0 | |
| CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C,[C][C][C][C][C][=C][Branch1][C][C][N][=C][Branch1][Ring2][N][C][C][N][=C][Ring1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C],0 | |
| CO/C=C(/C(=O)OC)c1ccccc1COc1cccc(C(F)(F)F)n1,[C][O][/C][=C][Branch1][#Branch1][/C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2],1 | |
| Clc1ccccc1-c1ccccc1Cl,[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],0 | |
| COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1,[C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2],0 | |
| C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2,[C][N+1][Branch1][C][C][C@@H1][C][C][C@H1][Ring1][=Branch1][C][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1],0 | |
| CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2,[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],0 | |
| Cc1ccc(CCn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1,[C][C][=C][C][=C][Branch2][Ring1][=C][C][C][N][C][=C][Branch1][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][N][Branch1][C][C][C][C][Ring1][=C][C][=N][Ring2][Ring1][#Branch1],0 | |
| O=C(O)CCCc1c[nH]c2ccccc12,[O][=C][Branch1][C][O][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1],0 | |
| CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1,[C][C][C][Branch1][C][C][Branch1][Ring1][C][C][C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][O][N][=Ring2][Ring1][C],0 | |
| CNC(C)C(O)c1ccc(O)cc1,[C][N][C][Branch1][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0 | |
| CCCCCCCCCC(=O)N(C)C,[C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C],0 | |
| C=C[Si](OCCOC)(OCCOC)OCCOC,[C][=C][Si][Branch1][=Branch1][O][C][C][O][C][Branch1][=Branch1][O][C][C][O][C][O][C][C][O][C],0 | |
| O=[N+]([O-])c1cc[n+]([O-])cc1,[O][=N+1][Branch1][C][O-1][C][=C][C][=N+1][Branch1][C][O-1][C][=C][Ring1][#Branch1],0 | |
| NCc1ccccc1,[N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| O=Cc1ccc(F)cc1,[O][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],0 | |
| NC(=O)CC[C@@H](N)C(=O)O,[N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][N][C][=Branch1][C][=O][O],0 | |
| CCOc1ccc(O)cc1,[C][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0 | |
| C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,[C][C@@H1][O][C@@H1][Branch2][Branch1][=N][O][C][C@H1][O][C@@H1][Branch2][Ring2][Branch2][O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring2][Ring1][Ring2][=O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch2][O],0 | |
| CCCCOC(C)=O,[C][C][C][C][O][C][Branch1][C][C][=O],0 | |
| COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1,[C][O][P][=Branch1][C][=S][Branch1][P][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1,[C][N][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch1],0 | |
| CC(=O)c1c(C)cc(C(C)(C)C)cc1C,[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][O][C],0 | |
| O=C1OC(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21,[O][=C][O][C][Branch2][Ring1][P][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=N],0 | |
| Cc1ccc(C(C)C)cc1,[C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2],0 | |
| Cc1ccccc1S(N)(=O)=O,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O],0 | |
| CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,[C][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][/C][=Branch1][#C][=C][Branch1][Ring2][/C][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1].[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O],0 | |
| C=CC#N,[C][=C][C][#N],0 | |
| CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2,[C][C][Branch1][C][C][C@][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@H1][Ring1][#Branch1][C][Ring1][Branch2],0 | |
| CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12,[C][N][Branch1][C][C][C][C][C][O][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1],0 | |
| Oc1ncnc2[nH]ncc12,[O][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1],0 | |
| Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl,[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],0 | |
| CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1,[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch2][Ring1][C][=C][C][=C][C][=Branch1][Branch2][=N+1][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2],0 | |
| Cc1cc(Cl)ccc1OCCCC(=O)O,[C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][C][=Branch1][C][=O][O],0 | |
| CCCOCCOCCO,[C][C][C][O][C][C][O][C][C][O],0 | |
| CC(C)c1cccc(C(C)C)c1NC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)O)co1,[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][=C][O][Ring1][=Branch2],0 | |
| CNC,[C][N][C],0 | |
| O=C(O)C=Cc1ccc(C=CC(=O)O)cc1,[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=Branch1][C][=O][O][C][=C][Ring1][O],0 | |
| C=C(C)CNCC,[C][=C][Branch1][C][C][C][N][C][C],0 | |
| O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],[O][=N+1][Branch1][C][O-1][O][C][C][Branch1][Branch2][C][O][N+1][=Branch1][C][=O][O-1][Branch1][Branch2][C][O][N+1][=Branch1][C][=O][O-1][C][O][N+1][=Branch1][C][=O][O-1],0 | |
| Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][Ring1][P],0 | |
| CC(=O)C(=O)O,[C][C][=Branch1][C][=O][C][=Branch1][C][=O][O],0 | |
| c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,[C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2],0 | |
| NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)[O-],[N][C][=Branch1][C][=O][O][C][C@@H1][C@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][/C][=Branch1][=Branch2][=N][\O][C][C][=Branch1][C][=O][O-1][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O-1],0 | |
| Cc1ccccc1/N=N/c1ccc(/N=N/c2c(O)ccc3ccccc23)c(C)c1,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][/N][=N][/C][=C][C][=C][Branch2][Ring1][Ring2][/N][=N][/C][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2],0 | |
| CN1CCC[C@H]1c1cccnc1,[C][N][C][C][C][C@H1][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],0 | |
| CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],[C][C][C][C][N][Branch1][Ring1][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1],0 | |
| CCCCCCOc1ccccc1C(=O)O,[C][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O],0 | |
| Nc1ccc(-c2ccc(F)cc2)cc1,[N][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N],0 | |
| COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1,[C][O][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CC(C)(C)c1cccc(C(C)(C)C)c1O,[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][O],0 | |
| CC(C)(O)CCc1ccccc1,[C][C][Branch1][C][C][Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1,[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C@@H1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C@@H1][Ring2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0 | |
| C=CC(=O)OCCCl,[C][=C][C][=Branch1][C][=O][O][C][C][Cl],0 | |
| CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-],[C][C][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O-1],0 | |
| CCCCCCCCCCCCCCCC(=O)OCC,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C],0 | |
| C=CC(=O)O[Sn](CCCC)(CCCC)CCCC,[C][=C][C][=Branch1][C][=O][O][Sn][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C],0 | |
| NC(=O)N[C@@H](CCC(=O)O)C(=O)O,[N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O],0 | |
| CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1,[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C][C][=C][Ring1][P],0 | |
| CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl,[C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][Cl],0 | |
| CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1,[C][O][/N][=C][Branch2][Branch1][C][\C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch2][Ring1][C][C][S][C][=N][C][=Branch1][C][=O][C][Branch1][C][O-1][=N][N][Ring1][Branch2][C][C][S][C@H1][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1],0 | |
| CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,[C][C][=Branch1][C][=O][O][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| O=C(CCS)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,[O][=C][Branch1][Ring2][C][C][S][O][C][C][Branch1][#Branch2][C][O][C][=Branch1][C][=O][C][C][S][Branch1][#Branch2][C][O][C][=Branch1][C][=O][C][C][S][C][O][C][=Branch1][C][=O][C][C][S],1 | |
| CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,[C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C@@H1][Branch1][C][O][C][C@@][Ring1][P][Ring2][Ring1][Branch1][C],0 | |
| CCc1ncnc2cc(OC)c(OC)cc12,[C][C][C][=N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2],0 | |
| CC(C)c1ccc(C=O)cc1,[C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2],0 | |
| Cc1cc(Cc2ccc(N)c(C)c2)ccc1N,[C][C][=C][C][Branch1][S][C][C][=C][C][=C][Branch1][C][N][C][Branch1][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][#C][N],0 | |
| CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,[C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@][Ring2][Ring1][C][Ring1][#C][C],0 | |
| CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,[C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O],0 | |
| CC(=O)/C=C/C1C(C)=CCCC1(C)C,[C][C][=Branch1][C][=O][/C][=C][/C][C][Branch1][C][C][=C][C][C][C][Ring1][#Branch1][Branch1][C][C][C],0 | |
| CCCC[N+](C)(CCCC)CCCC,[C][C][C][C][N+1][Branch1][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C],0 | |
| COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1,[C][O][C][N][Branch1][Ring2][C][O][C][C][=N][C][Branch1][#Branch2][N][Branch1][Ring2][C][O][C][C][O][C][=N][C][Branch1][#Branch2][N][Branch1][Ring2][C][O][C][C][O][C][=N][Ring2][Ring1][Ring2],0 | |
| N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,[N][C@H1][C][Branch1][C][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O],0 | |
| ClC(Cl)(Cl)c1ccccc1,[Cl][C][Branch1][C][Cl][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| O=Cc1ccccc1O,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O],0 | |
| CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1,[C][C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][O][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],0 | |
| N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,[N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N][C][=Branch1][C][=O][O],1 | |
| CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C,[C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch2][=Branch1][#C][O][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Ring1][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@@][Ring2][Ring2][Branch1][Branch1][C][C][O][O][C@H1][Branch1][C][C][C][C@@H1][Ring2][Ring2][#C][N][Branch1][C][C][C],0 | |
| CC(C)(c1ccccc1)c1ccc(O)cc1,[C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0 | |
| CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C.O=S(=O)(O)c1ccc2ccccc2c1,[C][C][C][=Branch1][C][=O][O][C@@][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C].[O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],0 | |
| CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O,[C][C][Branch1][C][C][S][C@@H1][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][#C][C@H1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O],0 | |
| NC(=O)NC1NC(=O)NC1=O,[N][C][=Branch1][C][=O][N][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O],0 | |
| Cc1ccccc1NC(=N)NC(=N)N,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=N][N][C][=Branch1][C][=N][N],0 | |
| CNCc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1,[C][N][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1],0 | |
| CCOc1nc(C(Cl)(Cl)Cl)ns1,[C][C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][S][Ring1][=Branch2],0 | |
| CO[Si](OC)(OC)OC,[C][O][Si][Branch1][Ring1][O][C][Branch1][Ring1][O][C][O][C],0 | |
| O=[N+]([O-])c1ccccc1Cl,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],0 | |
| CCCCC(CC)COCCCN,[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][C][C][N],0 | |
| C1CNCCN1,[C][C][N][C][C][N][Ring1][=Branch1],0 | |
| CCCOc1ccccc1-c1nc2[nH]nnc2c(=O)[nH]1,[C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][NH1][N][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2],0 | |
| COc1ncc(F)c2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12,[C][O][C][=N][C][=C][Branch1][C][F][C][=N][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][N][Ring2][Ring1][=Branch1][Ring1][P],0 | |
| CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,[C][C][N][Branch1][Ring1][C][C][C][C][#C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1],0 | |
| CC1CCC(CO)CC1,[C][C][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2],0 | |
| O=C(Nc1ccccc1)c1cc(Cl)ccc1O,[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O],0 | |
| CCCCN(CCCC)C(=S)S[Ni]SC(=S)N(CCCC)CCCC,[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=S][S][Ni][S][C][=Branch1][C][=S][N][Branch1][Branch1][C][C][C][C][C][C][C][C],0 | |
| Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O,[C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][P][C][Ring2][Ring1][O][=O],0 | |
| CCC(C)(C#N)/N=N/C(C)(C#N)CC,[C][C][C][Branch1][C][C][Branch1][Ring1][C][#N][/N][=N][/C][Branch1][C][C][Branch1][Ring1][C][#N][C][C],0 | |
| Nc1c2c(nc3c1CCC3)CCCC2,[N][C][=C][C][=Branch1][O][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][C][Ring1][N],0 | |
| Oc1ccc(Cl)cc1Cl,[O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl],0 | |
| COP(=S)(OC)SCn1nnc2ccccc2c1=O,[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][S][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O],0 | |
| Cc1ccc(C)c(O)c1C,[C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C],0 | |
| CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-],[C][C][C][C][C][Branch1][Ring1][C][C][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1],0 | |
| CCCCNC(C)(C)[PH](=O)O,[C][C][C][C][N][C][Branch1][C][C][Branch1][C][C][PH1][=Branch1][C][=O][O],0 | |
| COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1,[C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][Ring2][Ring1][#Branch2],0 | |
| Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O,[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][C][C][N][C][Ring1][=Branch1][=O],0 | |
| C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1,[C][#C][C][O][S][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2],0 | |
| CC(=O)c1ccc(O)cc1,[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0 | |
| O=C1C(I)=CC(=C(c2cc(I)c([O-])c(I)c2)c2ccccc2C(=O)[O-])C=C1I,[O][=C][C][Branch1][C][I][=C][C][=Branch2][Ring2][Ring1][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][I][=C][Branch1][C][O-1][C][Branch1][C][I][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][#Branch2][I],0 | |
| CCCCC(CC)COC(C)=O,[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][Branch1][C][C][=O],0 | |
| CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O],0 | |
| Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1cccnc1)C(=O)N3CC2,[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][O],0 | |
| C1=CCC2CC=CC2C1,[C][=C][C][C][C][C][=C][C][Ring1][Branch1][C][Ring1][=Branch2],0 | |
| CCCCOC(=O)[C@H](C)O,[C][C][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][O],0 | |
| CC1=C2[C@H](/C=C(\C)C(=O)O)CC[C@@H](C)[C@H]2CC1,[C][C][=C][C@H1][Branch1][O][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C][C][C@@H1][Branch1][C][C][C@H1][Ring1][=N][C][C][Ring1][S],0 | |
| CC(CCl)OC(C)CCl,[C][C][Branch1][Ring1][C][Cl][O][C][Branch1][C][C][C][Cl],0 | |
| Cc1ccc(C=O)cc1C,[C][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][C],0 | |
| CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C,[C][C][=Branch1][C][=O][C@H1][C][C][C@H1][C@@H1][C][C][C@H1][C][C@][Branch1][C][C][Branch1][C][O][C][C][C@][Ring1][Branch2][Branch1][C][C][C@H1][Ring1][=N][C][C][C@][Ring2][Ring1][Ring2][Ring1][P][C],0 | |
| COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1,[C][O][C][=C][C][=C][Branch2][Ring2][C][C@@H1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C@@H1][Ring1][P][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][O],0 | |
| O=C1c2ccccc2C(=O)N1SC1CCCCC1,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][S][C][C][C][C][C][C][Ring1][=Branch1],0 | |
| CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OCC[N+](C)(C)C,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][S][C][C][Branch1][Ring2][C][O][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C],0 | |
| CN(C)CCCNCCC#N,[C][N][Branch1][C][C][C][C][C][N][C][C][C][#N],0 | |
| COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1],0 | |
| Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCCNC(=N)N)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cnc[nH]1,[C][C][=C][Branch1][C][N][N][=C][Branch2][Ring1][Branch1][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][C@H1][Branch1][C][N][C][Branch1][C][N][=O][N][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][N][C][=Branch1][C][=N][N][=C][S][Ring1][S][=C][S][Ring2][Ring1][Branch1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][Ring2][=N][O][C@@H1][O][C@@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][C@@H1][Ring1][=N][O][C][=C][N][=C][NH1][Ring1][Branch1],1 | |
| CCCCCCCCCCCCOCC1CO1,[C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][C][O][Ring1][Ring1],0 | |
| CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C,[C][C][Branch1][P][N][/C][=Branch1][Ring2][=N][\C][#N][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],0 | |
| O=C(Oc1ccccc1)c1ccccc1,[O][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Cl,[C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][=Branch1][C][=O][Cl],0 | |
| OC1CCCCC1c1ccccc1,[O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3)CC1)CCS2,[C][C][N][=C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][C][N][C][C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][C][S][Ring2][Ring1][=Branch2],0 | |
| [O-][Cl+3]([O-])([O-])[O-],[O-1][Cl+3][Branch1][C][O-1][Branch1][C][O-1][O-1],0 | |
| O=C(OCc1ccccc1)c1ccccc1,[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,[C][C][=Branch1][C][=O][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][Branch1][Ring2][Ring1][C][C],0 | |
| CC(=O)CN(CC(C)=O)N=O,[C][C][=Branch1][C][=O][C][N][Branch1][#Branch1][C][C][Branch1][C][C][=O][N][=O],0 | |
| CCCN1CCC[C@@H](c2cccc(O)c2)C1,[C][C][C][N][C][C][C][C@@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][=N],0 | |
| N#CCc1ccccc1,[N][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C],0 | |
| CCNc1nc(Cl)nc(NCC)n1,[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Ring2][N][C][C][=N][Ring1][#Branch2],0 | |
| ON=CC=NO,[O][N][=C][C][=N][O],0 | |
| CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,[C][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][Branch1][C],0 | |
| CC(C)C(C)(N)C#N,[C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][N][C][#N],0 | |
| CC[C@@H](C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@@H](C(=O)N[C@H](CCN)C(=O)N[C@@H]1CCNC(=O)C([C@@H](C)O)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O,[C][C][C@@H1][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Branch2][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@@H1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring2][C][C][N][N][C][Ring2][Branch1][Ring2][=O][C@@H1][Branch1][C][C][O],0 | |
| CC(=O)Nc1ccc(O)cc1,[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0 | |
| CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1,[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2].[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2],0 | |
| COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1OC(=O)c1ccccc1)N2C,[C][O][C][=Branch1][C][=O][C@@H1][C@H1][C][C][C@@H1][Branch2][Ring1][C][C][C@H1][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][C],0 | |
| C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)O,[C][C@@H1][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@H1][C][C@@][Ring1][#Branch2][Ring1][#Branch1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][O],0 | |
| CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C.O=C(O)CCC(=O)O,[C][C][Branch1][C][C][=C][C][N][C][C][C@][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][C@H1][Ring1][=C][C@H1][Ring1][N][C].[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][O],0 | |
| CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1,[C][C][C][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][N+1][Branch1][C][C][Branch1][Ring1][C][C][C][C][C][=C][Ring1][P],0 | |
| CCCC1CCCC(=O)O1,[C][C][C][C][C][C][C][C][=Branch1][C][=O][O][Ring1][#Branch1],0 | |
| CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,[C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1],0 | |
| O=[N+]([O-])c1cncn1CCN1CCOCC1,[O][=N+1][Branch1][C][O-1][C][=C][N][=C][N][Ring1][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1],0 | |
| CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-],[C][C][C][C][C][C][C][C][C][C][C][C][C][C][P+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C].[C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O-1],1 | |
| CCCCC(CC)COC(=O)c1ccccc1O,[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O],0 | |
| C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1,[C][C][C][N][C][C@@H1][C][C@@H1][Branch1][N][C][N][C][C][C][C][C@@H1][Ring1][#Branch2][Ring1][=Branch1][C@H1][Ring1][=N][C][Ring1][P],0 | |
| c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1,[C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1],0 | |
| COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1,[C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1],0 | |
| CCCCCCCCCC,[C][C][C][C][C][C][C][C][C][C],0 | |
| COCC(C)OC(C)=O,[C][O][C][C][Branch1][C][C][O][C][Branch1][C][C][=O],0 | |
| C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1C32OO4,[C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][O][C@][Branch1][C][C][C][C][C@@H1][Ring1][S][C][Ring1][Branch2][Ring1][=C][O][O][Ring1][Branch2],0 | |
| O=C(Cl)c1c(Cl)c(Cl)c(C(=O)Cl)c(Cl)c1Cl,[O][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][C][Branch1][C][Cl][=C][Ring1][N][Cl],0 | |
| O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br,[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][#C][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=C][Ring1][#C][Br],0 | |
| O=C(O)c1cccc(Oc2ccccc2)c1,[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N],0 | |
| CCCCCCCCCCC,[C][C][C][C][C][C][C][C][C][C][C],0 | |
| Cc1ccc(O)c([N+](=O)[O-])c1,[C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2],0 | |
| COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring1][#C][C][C][Ring2][Ring1][N],0 | |
| C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@@H]12,[C][=C][C][C][C@H1][Branch1][C][O][C][/C][Ring1][#Branch1][=C][/C][=C][\C][C][C][C@][Branch1][C][C][C@@H1][Branch2][Ring1][Ring1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][C][C][C@@H1][Ring2][Ring1][Ring2][Ring1][S],0 | |
| CNC(C)(C)Cc1ccccc1.CNC(C)(C)Cc1ccccc1,[C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| Cc1ccc2ccccc2c1C,[C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C],0 | |
| O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2,[O][=C][N][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][C][N][Branch1][S][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P],0 | |
| C[C@@H]1CCC[C@H](C)N1CCCC(O)(c1ccccc1)c1ccccn1,[C][C@@H1][C][C][C][C@H1][Branch1][C][C][N][Ring1][#Branch1][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1],0 | |
| CC(C)CC(O)Cc1ccccc1,[C][C][Branch1][C][C][C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CCOC(=O)Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(-c4cccc(CC(=O)OCC)c4)c3)ccc2O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1,[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch2][#Branch2][=Branch1][C][=C][C][Branch2][=Branch1][P][C][C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][N][=C][Ring2][Ring2][#Branch2][=C][C][=C][Ring2][Branch1][=Branch1][O][C@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O][=C][Ring2][#Branch1][Ring2],0 | |
| Cc1ccc2ccccc2c1[N+](=O)[O-],[C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1],0 | |
| O=[N+]([O-])c1ccccc1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CC(C)(N)Cc1ccc(Cl)cc1,[C][C][Branch1][C][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0 | |
| CCC1(CC)C(=O)N=C([O-])NC1=O,[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][=C][Branch1][C][O-1][N][C][Ring1][#Branch2][=O],0 | |
| O=C(c1ccccc1)c1ccc(O)c(O)c1O,[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O],0 | |
| CN(C)CCN(C)C,[C][N][Branch1][C][C][C][C][N][Branch1][C][C][C],0 | |
| FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F],0 | |
| N#Cc1ccc(Cl)cc1,[N][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0 | |
| C=CC[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69,[C][=C][C][N@@+1][C][C][C@@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C@H1][C][C@H1][C@@][Branch2][Ring1][C][C][C][N@@+1][Ring1][Branch1][Branch1][Ring2][C][C][=C][C][/C][Ring1][N][=C][/C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][C][C][=C][Branch2][Ring1][=Branch1][C@@H1][Branch1][=Branch2][C][C@@H1][Ring2][Ring2][Branch1][Ring2][Ring2][Branch2][/C][=Branch1][Ring2][=C][\C][O][C][Ring2][Ring2][=N][C@H1][Ring2][Ring2][Ring2][Ring2][Ring2][O][C@@H1][Ring2][Ring2][Ring1][Ring2][Ring1][#C],0 | |
| CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N],0 | |
| N=C(N)NCCCCNC(=N)N,[N][=C][Branch1][C][N][N][C][C][C][C][N][C][=Branch1][C][=N][N],0 | |
| CN(C)NC(=O)CCC(=O)O,[C][N][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O],0 | |
| Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl,[N][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][O][Cl],0 | |
| O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21,[O][=C][Branch1][C][O][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C],0 | |
| C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,[C][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][C][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O],0 | |
| O=[N+]([O-])c1ccccc1Nc1ccccc1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CNC(=O)c1ccccc1,[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| Nc1c(I)cc(I)c(C(=O)N(CCC(=O)O)c2ccccc2)c1I,[N][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][I],0 | |
| Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C,[C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C],0 | |
| CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I,[C][N][C][=Branch1][C][=O][C][=C][Branch1][C][I][C][Branch2][Ring2][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][I][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][I][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][Ring1][P][I][=C][Branch1][C][I][C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][=C][Ring2][Ring2][=Branch1][I],0 | |
| CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.O=C([O-])c1ccccc1,[C][C][C@H1][Branch1][C][C][C@H1][O][C@][Branch1][#Branch1][C][=C][C@@H1][Ring1][=Branch1][C][C][C@@H1][C][C@@H1][Branch2][#Branch1][Branch2][C][C][=C][Branch1][C][C][C@@H1][Branch2][Ring2][=Branch2][O][C@H1][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch2][Ring1][Branch1][O][C@H1][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][NH2+1][C][C@H1][Branch1][C][C][O][Ring1][O][C@H1][Branch1][C][C][O][Ring2][Ring1][Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][O][C@@H1][C@H1][Branch1][C][O][C][Branch1][C][C][=C][C@@H1][Branch1][=Branch2][C][=Branch1][C][=O][O][Ring2][Ring2][S][C@][Ring1][=C][Ring1][O][O][O][Ring2][Branch1][=Branch2].[O][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| C[C@@H]1O[C@@H]1P(=O)([O-])[O-],[C][C@@H1][O][C@@H1][Ring1][Ring1][P][=Branch1][C][=O][Branch1][C][O-1][O-1],0 | |
| O=C(Nc1ccc2[nH]ccc2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1,[O][=C][Branch1][#C][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1],0 | |
| CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-],[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1],0 | |
| C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,[C][C@][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][F][C][C@@H1][C@@H1][Ring1][N][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O],0 | |
| C=C(C)C(=O)OC,[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C],0 | |
| COS(C)(=O)=O,[C][O][S][Branch1][C][C][=Branch1][C][=O][=O],0 | |
| CC(O)C(=O)O,[C][C][Branch1][C][O][C][=Branch1][C][=O][O],0 | |
| OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,[O][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][N][Branch2][Ring1][=N][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring2][Ring1],0 | |
| O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1,[O][=C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],0 | |
| CC(=O)C(=O)[O-],[C][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1],0 | |
| NC(=O)C(Cl)(Cl)Cl,[N][C][=Branch1][C][=O][C][Branch1][C][Cl][Branch1][C][Cl][Cl],0 | |
| CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O,[C][C][C@@H1][Branch1][=Branch1][C@H1][Branch1][C][C][O][N][N][=C][N][Branch2][=Branch1][#Branch1][C][=C][C][=C][Branch2][Branch1][O][N][C][C][N][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C][C][O][C@@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][C][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1][C][Ring2][Ring2][N][=O],0 | |
| C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1,[C][=C][C][N][C][=N][C][Branch1][Branch1][N][C][C][=C][=N][C][Branch2][Ring2][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][#C],0 | |
| CC=Cc1ccc(O)c(OC)c1,[C][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2],0 | |
| CCCC(=O)OC[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCC,[C][C][C][C][=Branch1][C][=O][O][C][C@@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C@@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C@H1][Branch2][Ring2][Ring1][C][N][C][=N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][Ring1][Branch2][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring2][Ring1][C][O][C][=Branch1][C][=O][C][C][C],0 | |
| CCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O,[C][C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C][=O],0 | |
| CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1,[C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][C@H1][Ring1][S][S][C][Ring2][Ring1][#Branch1],0 | |
| O=C1OCCO1,[O][=C][O][C][C][O][Ring1][Branch1],0 | |
| CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12.O=C(O)CC(O)(CC(=O)O)C(=O)O,[C][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][=C][Branch2][Ring2][C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][=C][C][=C][Ring1][P][O][C][C][NH1][N][Ring2][Ring1][#C][Ring2][Ring1][O].[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O],0 | |
| CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,[C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][O][C][C][Branch1][C][C][C],0 | |
| O=C1CCCN1,[O][=C][C][C][C][N][Ring1][Branch1],0 | |
| CCN(CCO)c1cccc(C)c1,[C][C][N][Branch1][Ring2][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1],0 | |
| O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F,[O][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2][F],0 | |
| O=NN1CCNCC1,[O][=N][N][C][C][N][C][C][Ring1][=Branch1],0 | |
| O=C(O)C(Br)(Br)Br,[O][=C][Branch1][C][O][C][Branch1][C][Br][Branch1][C][Br][Br],0 | |
| NC(=O)CI,[N][C][=Branch1][C][=O][C][I],0 | |
| CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC,[C][C][C][C][C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C],0 | |
| CC1=C(C=O)C(C)(C)CCC1,[C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2],0 | |
| NC(=O)Cc1cccc2ccccc12,[N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],0 | |
| O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1,[O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| O=C(O)c1ccc(O)nc1,[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1],0 | |
| NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@H](c4ccccc4)S(=O)(=O)[O-])[C@@H]3SC2)cc1,[N][C][=Branch1][C][=O][C][=C][C][=N+1][Branch2][Branch1][Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C@@H1][Ring2][Ring1][Ring1][S][C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][P],0 | |
| CCCC(=O)OCCC(C)CCC=C(C)C,[C][C][C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C],0 | |
| C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.CI,[C][=C][C][N][C][C][C@][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C@@][Ring1][#C][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][C][Ring1][S].[C][I],0 | |
| CCC(CC)C(=O)O,[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O],0 | |
| CC/C=C\CCOC(=O)c1ccccc1O,[C][C][/C][=C][\C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O],0 | |
| O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,[O][=C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C][O],0 | |
| CN(C)c1ccc(SC#N)cc1,[C][N][Branch1][C][C][C][=C][C][=C][Branch1][Ring2][S][C][#N][C][=C][Ring1][=Branch2],0 | |
| FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1,[F][C][Branch1][C][F][Branch1][C][F][C][=Branch1][O][=N][O][C][C][O][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0 | |
| O=C(O)c1ccccc1NCCc1ccccc1,[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| O1[As]2O[As]3O[As]1O[As](O2)O3,[O][As][O][As][O][As][Ring1][=Branch1][O][As][Branch1][Ring2][O][Ring1][Branch2][O][Ring1][#Branch1],0 | |
| CCCC(CCC)C(N)=O,[C][C][C][C][Branch1][Ring2][C][C][C][C][Branch1][C][N][=O],0 | |
| NCCCCCCNCCCCCCN,[N][C][C][C][C][C][C][N][C][C][C][C][C][C][N],0 | |
| c1ccc(C(O[C@@H]2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1,[C][=C][C][=C][Branch2][Ring2][#Branch2][C][Branch2][Ring1][=C][O][C@@H1][C][C][C][N][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#C],0 | |
| c1ccc2c(c1)oc1ccccc12,[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],0 | |
| Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1,[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@H1][C][C][C@@H1][Branch1][Ring1][C][O][O][Ring1][#Branch1],0 | |
| O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2,[O][=C][N][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][C][N][Branch2][Ring1][=N][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2],0 | |
| O=C(NCCc1c[nH]c2ccccc12)c1cccnc1,[O][=C][Branch1][P][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],0 | |
| CCCCCCCCCCCCCCCCOS(=O)(=O)[O-],[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1],0 | |
| O=C(CBr)OCc1ccccc1,[O][=C][Branch1][Ring1][C][Br][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CCc1ccc(C)cc1,[C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],0 | |
| Cc1cscn1,[C][C][=C][S][C][=N][Ring1][Branch1],0 | |
| CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,[C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][Branch1][C][O][C][C][C][N][C][C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#C],0 | |
| CC(C)CCO,[C][C][Branch1][C][C][C][C][O],0 | |
| N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1,[N][=C][Branch1][C][N][N][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][C][Ring1][=Branch2][=C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1],0 | |
| CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@@H1][Ring1][O][Ring1][#Branch1],0 | |
| Cc1c(Cl)cccc1Nc1ncccc1C(=O)O,[C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O],0 | |
| CC1CC(=O)NN=C1c1ccc(NCC(C)(C)NCC(O)COc2cc(Cl)ccc2C#N)cc1,[C][C][C][C][=Branch1][C][=O][N][N][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][#C][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][#N][C][=C][Ring2][Ring1][#Branch2],0 | |
| Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C,[C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][#C][C],0 | |
| CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1,[C][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0 | |
| O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O,[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][O],1 | |
| CNC(=O)Oc1ccccc1C(C)C,[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],0 | |
| C=Cc1ccc(C)cc1,[C][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],0 | |
| C[n+]1ccn(Cc2ccccc2)c1,[C][N+1][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N],0 | |
| CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CCCCSCCCC,[C][C][C][C][S][C][C][C][C],0 | |
| CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC,[C][C][C][C][C][C][C][C][Sn][Branch1][C][Cl][Branch1][C][Cl][C][C][C][C][C][C][C][C],0 | |
| CCC1(c2ccccc2)C(=O)NCNC1=O,[C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][N][C][Ring1][=N][=O],0 | |
| CCC(C)(C)c1cc(O)c(C(C)(C)CC)cc1O,[C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][Ring1][N][O],0 | |
| CCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F,[C][C][C][C][C][C][C][C][C][C][N][C][=C][N+1][Branch1][C][C][=C][Ring1][=Branch1].[O][=S][=Branch1][C][=O][Branch1][P][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F],0 | |
| CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,[C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][=Branch1][=C][N][Ring1][Branch1][C][C][C@H1][Ring1][=N][N][Branch1][C][C][C][Ring2][Ring1][C],0 | |
| Cl[V](Cl)(C1C=CC=C1)C1C=CC=C1,[Cl][V][Branch1][C][Cl][Branch1][Branch2][C][C][=C][C][=C][Ring1][Branch1][C][C][=C][C][=C][Ring1][Branch1],0 | |
| O=c1ccc2ccccc2o1,[O][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2],0 | |
| CN[C@@H](C)Cc1ccccc1,[C][N][C@@H1][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CNC(=O)O/N=C(\C)C(C)S(C)(=O)=O,[C][N][C][=Branch1][C][=O][O][/N][=C][Branch1][C][\C][C][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O],0 | |
| Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,[N][C][=N][C][=Branch1][C][=O][C][=N][C][Branch2][Ring2][Ring1][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][=C][N][=C][Ring2][Ring1][#Branch2][NH1][Ring2][Ring1][#C],0 | |
| CC(=O)OCc1ccc2c(c1)OCO2,[C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],0 | |
| CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1,[C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][=Branch2][N][=C][Ring1][=N][Ring2][Ring1][C],1 | |
| CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1,[C][N][Branch1][C][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],0 | |
| CC1(C)CCC[C@]2(C)[C@H]3CC(=O)O[C@]3(C)CC[C@@H]12,[C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][C@H1][C][C][=Branch1][C][=O][O][C@][Ring1][=Branch1][Branch1][C][C][C][C][C@@H1][Ring1][P][Ring1][N],0 | |
| C=CCN(CC=C)CC=C,[C][=C][C][N][Branch1][Ring2][C][C][=C][C][C][=C],0 | |
| CN1C(=O)C(C)(C2=CCCCC2)C(=O)N=C1O,[C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][=C][Ring1][#C][O],0 | |
| CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1,[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2].[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2],0 | |
| COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1],0 | |
| CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1,[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][=Branch2][=C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1],0 | |
| Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,[C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O],1 | |
| C#CC(O)CCCCC,[C][#C][C][Branch1][C][O][C][C][C][C][C],0 | |
| O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2,[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][=N],0 | |
| CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1,[C][C][Branch1][C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O,[O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O],1 | |
| Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N],0 | |
| Cc1cccc(C(C)c2c[nH]cn2)c1C,[C][C][=C][C][=C][C][Branch1][N][C][Branch1][C][C][C][=C][NH1][C][=N][Ring1][Branch1][=C][Ring1][=N][C],0 | |
| NC(CSCC(=O)O)C(=O)O,[N][C][Branch1][=Branch2][C][S][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O],0 | |
| CCCC(=O)OC(=O)CCC,[C][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][C][C],0 | |
| CC12CCC(CC1=O)C2(C)C,[C][C][C][C][C][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][Ring1][Branch2][Branch1][C][C][C],0 | |
| Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,[C][C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][O][C][=Branch1][C][=O][C][=Ring1][=C].[N][C][C][O],0 | |
| COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,[C][O][C][=C][C][Branch2][Ring2][C][C@@H1][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C@H1][C][O][C][=Branch1][C][=O][C@H1][Ring1][#C][Ring1][=Branch1][O][C][O][Ring1][#C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O],1 | |
| CNC(=O)C[C@@H](N)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccc(O)cc1,[C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@@H1][Ring1][Branch1][S][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0 | |
| O=C(CCCCCCCCc1cccnc1)N1CCC(C=C(c2ccccc2)c2ccccc2)CC1,[O][=C][Branch1][P][C][C][C][C][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2],0 | |
| CCCCCC1CCC(=O)O1,[C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1],0 | |
| O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2],1 | |
| [Cd+2],[Cd+2],0 | |
| CCCCC(CC)COC(=O)OOC(C)(C)C,[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C],0 | |
| O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring1],0 | |
| CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1,[C][C][Branch1][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][C][Br][=C][Branch1][Branch1][O][C][C][O][C][Branch1][C][Br][=C][Ring1][N][C][=C][C][Branch1][C][Br][=C][Branch1][Branch1][O][C][C][O][C][Branch1][C][Br][=C][Ring1][N],1 | |
| Clc1ccccc1CN1CCc2sccc2C1,[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2],0 | |
| CC/C=C\C#N,[C][C][/C][=C][\C][#N],0 | |
| CC1=NC(C)OC1C,[C][C][=N][C][Branch1][C][C][O][C][Ring1][=Branch1][C],0 | |
| CCCCCCCCCCCl,[C][C][C][C][C][C][C][C][C][C][Cl],0 | |
| CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,[C][C][O][C][=Branch1][C][=O][C][=C][C@@H1][Branch1][=Branch2][O][C][Branch1][Ring1][C][C][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@@H1][Branch1][C][N][C][Ring1][P],0 | |
| OCCOCCOCCO,[O][C][C][O][C][C][O][C][C][O],0 | |
| Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2,[C][C][=N][N][=C][N][Ring1][Branch1][C][S][C][Branch1][C][Br][=C][C][=Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Ring2][Ring1][C],0 | |
| CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,[C][C][C][Branch2][Ring1][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C],0 | |
| Cc1ccccc1CCl,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Cl],0 | |
| C[N+]1([O-])CCOCC1,[C][N+1][Branch1][C][O-1][C][C][O][C][C][Ring1][#Branch1],0 | |
| CCCCCCCCCCCCCCCCCBr,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Br],0 | |
| Cc1cccc(Nc2ccccc2C(=O)O)c1C,[C][C][=C][C][=C][C][Branch1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][S][C],0 | |
| COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2,[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][=N][C][C][C][N][Branch1][C][C][C][C@H1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][N][C][C][Ring2][Ring1][=C],0 | |
| CC(C)CCCC(=O)O,[C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][O],0 | |
| CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,[C][C][/C][=Branch1][P][=C][Branch1][Ring1][/C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],1 | |
| SC1CCCC1,[S][C][C][C][C][C][Ring1][Branch1],0 | |
| COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)COc2ccc(OC)cc2)[C@@H]1OC,[C][O][C][=Branch1][C][=O][C@H1][C@H1][C][C@@H1][C][NH1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Ring1][O][C][C][N][Ring1][#C][C][C@H1][Ring2][Ring1][Ring1][C][C@@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C@@H1][Ring2][Ring2][Ring2][O][C],0 | |
| O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1,[O][=C][Branch1][C][O-1][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][P][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=Branch1][C][=O][C][Ring1][=C][=Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][#Branch2][O][Ring2][Ring1][#C],0 | |
| COC(=O)C(CN)c1c[nH]c2ccc(OC)cc12,[C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][N][C][=C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][Ring1][Branch2],0 | |
| C/C(=N/NC(=O)c1ccncc1)C(=O)O,[C][/C][=Branch1][#C][=N][/N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O],0 | |
| O=[Se](O)O,[O][=Se][Branch1][C][O][O],1 | |
| CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,[C][C][Branch1][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][Branch1][C][C][C],0 | |
| FC(F)(F)c1ccccc1Cl,[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],0 | |
| CCC(C(=O)NC(=O)NC(C)=O)c1ccccc1,[C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,[N][#C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][Ring1][O][Cl],1 | |
| Nc1ncnc2c1ncn2Cc1c(F)cccc1Cl,[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl],0 | |
| O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,[O][=C][Branch1][P][C][C][N][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| O=c1[nH]c2ccccc2o1,[O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2],0 | |
| C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O,[C][=C][C@][Branch1][C][C][Branch1][C][O][C][C][C@@H1][C@@][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=Branch2][C][C][C@@][Ring1][=N][Branch1][C][C][O],0 | |
| CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1,[C][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][N][Ring2][Ring1][=N],0 | |
| C=C[Si](OC)(OC)OC,[C][=C][Si][Branch1][Ring1][O][C][Branch1][Ring1][O][C][O][C],0 | |
| O=C1CCCCCO1,[O][=C][C][C][C][C][C][O][Ring1][#Branch1],0 | |
| CN(C)CCCN(C)C,[C][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C],0 | |
| Oc1c(Cl)c(Cl)cc(Cl)c1Cl,[O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl],0 | |
| Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c[nH]c2[nH]1,[N][C][=N][C][=Branch1][C][=O][C][C][Branch2][Ring2][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][C][=C][NH1][C][=Ring2][Ring1][=Branch2][NH1][Ring2][Ring1][=C],0 | |
| O=C(O)CC/C=C\CC[C@@H]1[C@@H](N2CCCCC2)[C@@H](O)C[C@@H]1OCc1ccc(-c2ccccc2)cc1,[O][=C][Branch1][C][O][C][C][/C][=C][\C][C][C@@H1][C@@H1][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C@@H1][Ring1][N][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N],0 | |
| CCCCCCCC/C=C\CCCCCCCCOCCO,[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][O][C][C][O],0 | |
| OC[C@@H](O)[C@H](O)[C@@H](O)CO,[O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][O],0 | |
| Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1],0 | |
| O=C([O-])CCCOc1ccc(Cl)cc1Cl,[O][=C][Branch1][C][O-1][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl],0 | |
| CC(=O)/C(C)=C/C1C(C)=CCCC1(C)C,[C][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][C][Branch1][C][C][=C][C][C][C][Ring1][#Branch1][Branch1][C][C][C],0 | |
| CCNC(=O)C(C)OC(=O)Nc1ccccc1,[C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl,[C][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][N][Cl],0 | |
| CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12,[C][N][Branch1][C][C][C][C][C][=C][NH1][C][=C][C][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][#C][Ring1][N],0 | |
| Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1,[N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring2][Ring1][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][=N][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][#C],0 | |
| COP(=S)(NC(C)C)Oc1ccc(C)cc1[N+](=O)[O-],[C][O][P][=Branch1][C][=S][Branch1][#Branch1][N][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1],0 | |
| CCCC(=O)Cl,[C][C][C][C][=Branch1][C][=O][Cl],0 | |
| Cn1cnc2ncnc(N)c21,[C][N][C][=N][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][Ring1][#Branch2],0 | |
| Cc1ccc([N+](=O)[O-])c(N)c1,[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][N][=C][Ring1][#Branch2],0 | |
| OCC(O)CO,[O][C][C][Branch1][C][O][C][O],0 | |
| N#C[Au-]C#N,[N][#C][Au-1][C][#N],0 | |
| CCC(C)C1CCCCC1=O,[C][C][C][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][=O],0 | |
| O=C([O-])CF,[O][=C][Branch1][C][O-1][C][F],0 | |
| CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1,[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][O][C][=C][Branch1][Ring2][N][C][=O][C][=Branch1][C][=O][C][=Ring1][#Branch2][C][=C][Ring1][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| Cc1cc(O)ccc1N,[C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N],0 | |
| OCCN1CCNCC1,[O][C][C][N][C][C][N][C][C][Ring1][=Branch1],0 | |
| CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1,[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C@H1][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][N],0 | |
| COC(=O)Nc1nc2cc(S(=O)c3ccccc3)ccc2[nH]1,[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=N][S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P],1 | |
| COC(C)=O,[C][O][C][Branch1][C][C][=O],0 | |
| COC(=O)/C=C\C(=O)O,[C][O][C][=Branch1][C][=O][/C][=C][\C][=Branch1][C][=O][O],0 | |
| CC1=CC(C)C(C=O)CC1,[C][C][=C][C][Branch1][C][C][C][Branch1][Ring1][C][=O][C][C][Ring1][=Branch2],0 | |
| NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][N][=C][N][S][Ring1][=Branch2][=Branch1][C][=O][=O],0 | |
| Cc1c(Cl)cccc1Cl,[C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl],0 | |
| CCOC(=O)/C=C/C(=O)OCC,[C][C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][O][C][C],0 | |
| CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1,[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2],0 | |
| O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,[O][=C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][N][Ring2][Ring1][C],0 | |
| Cc1nnc(-c2ccccc2)c(=O)n1N,[C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][N],0 | |
| CC(O)CN(CC(C)O)CC(C)O,[C][C][Branch1][C][O][C][N][Branch1][#Branch1][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O],0 | |
| O=c1cc(-c2ccccc2)oc2ccc3ccccc3c12,[O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][Ring1][#Branch2],0 | |
| CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],0 | |
| C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,[C][C@][C][C][C@H1][C@@H1][Branch1][P][C][C][=C][C][C@@H1][Branch1][C][O][C][C][C@@][Ring1][#Branch1][Ring1][O][C][C@@H1][Ring1][S][C][C][C@@H1][Ring2][Ring1][Ring1][O],0 | |
| OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,[O][C][C@H1][O][C@@H1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][=Branch2][=Branch1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][#Branch1][P][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][=Branch1][N][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][Branch1][#Branch1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][C][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][#C][O][C@H1][Ring2][Ring2][#C][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][S][O][O][C@@H1][Ring1][=C][C][O][O][C@@H1][Ring2][Ring1][=Branch2][C][O][O][C@@H1][Ring2][Ring2][Ring2][C][O][O][C@@H1][Ring2][Ring2][#C][C][O][O][C@@H1][Ring2][Branch1][#Branch2][C][O][O][C@@H1][Ring2][=Branch1][Branch1][C][O],0 | |
| CCCCCCCC[N+](C)(C)CCCCCCCC,[C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][C][C],0 | |
| CC/C=C\CCO,[C][C][/C][=C][\C][C][O],0 | |
| Clc1ccc(Cl)c(Cl)c1,[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],0 | |
| CNC(C)CCC=C(C)C,[C][N][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C],0 | |
| Nc1ccc(C(=O)N2CC3CC(CN(Cc4ccccc4)C3)C2)cc1,[N][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][P][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring1][S][C][=C][Ring2][Ring1][Branch2],0 | |
| c1ccc2c(c1)Oc1ccccc1O2,[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O],0 | |
| CC1=CC(C)(C)Nc2ccccc21,[C][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N],0 | |
| CC(=O)N1C[C@H](O)C[C@H]1C(=O)O,[C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O],0 | |
| NCCNCCNCCN,[N][C][C][N][C][C][N][C][C][N],0 | |
| CC(C)CCCCCCc1ccc(O)cc1,[C][C][Branch1][C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0 | |
| Cc1ccc(C(=O)C(=O)[O-])cc1C,[C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1][C][=C][Ring1][O][C],0 | |
| Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O,[C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][C][Br][=N][C][=Ring1][=Branch1][N][Branch1][C][C][C][Ring1][N][=O],0 | |
| CSSc1ccoc1C,[C][S][S][C][C][=C][O][C][=Ring1][Branch1][C],0 | |
| O=C1c2c(O)cccc2[C@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21,[O][=C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C@H1][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][C][O][=C][Ring1][=Branch2][Ring2][Ring1][=N],0 | |
| CCCCCC(O)/C=C/C=O,[C][C][C][C][C][C][Branch1][C][O][/C][=C][/C][=O],0 | |
| O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I,[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][#C][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=C][Ring1][#C][I],0 | |
| Nc1nc(-c2ccccc2)cs1,[N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O],0 | |
| CCN1C(=O)c2ccccc2C1Nc1ccc(OCCN2CCCCC2)cc1,[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C],0 | |
| CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1,[C][C][O][C][Branch2][Ring1][=C][C][N][C][C][N][Branch2][Ring1][C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| Cc1ccc(S)cc1,[C][C][=C][C][=C][Branch1][C][S][C][=C][Ring1][#Branch1],0 | |
| CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCC,[C][C][/C][=C][/C][/C][=C][/C][/C][=C][/C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C],0 | |
| CC(COC(=O)c1ccccc1)OC(=O)c1ccccc1,[C][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| COc1ccc(C)cc1[N+](=O)[O-],[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1],0 | |
| OCCCCCO,[O][C][C][C][C][C][O],0 | |
| O=C(O)C(Cl)(Cl)Br,[O][=C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Br],0 | |
| NNCCO,[N][N][C][C][O],0 | |
| C=CC(=C)CCC=C(C)C,[C][=C][C][=Branch1][C][=C][C][C][C][=C][Branch1][C][C][C],0 | |
| CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O,[C][C][Branch1][P][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][=Branch1][C][=O][O],0 | |
| NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O,[N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=C][O],0 | |
| CC(C)NC(C)Cc1ccc(I)cc1,[C][C][Branch1][C][C][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1],0 | |
| Oc1ccc(Cl)cc1Cc1ccccc1,[O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3,[C][C][=C][C][=C][C][=C][C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][C][Ring1][Branch1],0 | |
| CCOC(=O)N1CCC(=O)CC1,[C][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1],0 | |
| CN(C)CCOc1ccccc1Cc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,[C][N][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O],0 | |
| CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,[C][C][Branch1][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0 | |
| O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][Ring1][P],0 | |
| CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,[C][C][Branch1][C][C][=C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][Ring2][Ring1][Ring2][Branch1][C][C][C],0 | |
| Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,[C][C][=C][C][Branch2][Ring2][#C][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][N][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring2][Branch2][O],0 | |
| C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,[C][C@][C][C][C@@H1][C][=C][C][=C][Branch1][#C][O][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][S][C][C][C@H1][Ring2][Ring1][Ring2][C@@H1][Ring2][Ring1][Branch2][C][C][C@@H1][Ring2][Ring1][O][O],0 | |
| CCOP(O)OCC,[C][C][O][P][Branch1][C][O][O][C][C],0 | |
| CCCOCCC,[C][C][C][O][C][C][C],0 | |
| CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1,[C][S][C][=C][C][=C][Branch2][Ring1][=N][/C][=C][/C][Branch1][C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][C][=C][Ring2][Ring1][=Branch1],0 | |
| CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4OCc4cc(C)no4)ncnc32)[C@H](O)[C@@H]1N,[C][N][C][=Branch1][C][=O][C@H1][O][C@@H1][Branch2][Ring2][N][N][C][=N][C][=C][Branch2][Ring1][#Branch2][N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][N][=C][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][S][N],0 | |
| CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1,[C][N][C][C][N][Branch2][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][Branch1],0 | |
| CC(C)O,[C][C][Branch1][C][C][O],0 | |
| CSc1ccc(C=O)cc1,[C][S][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2],0 | |
| Cc1ccc(-c2ccccc2)cc1,[C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N],0 | |
| CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,[C][N][Branch1][C][C][C][C][C][C@@][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][Ring2][Ring1][C],0 | |
| CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC,[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C],0 | |
| CCCc1cc(=O)[nH]c(=S)[nH]1,[C][C][C][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=S][NH1][Ring1][Branch2],0 | |
| [O-]c1ccccc1-c1ccccc1,[O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CCC(O)OCC(C)OC(O)CC,[C][C][C][Branch1][C][O][O][C][C][Branch1][C][C][O][C][Branch1][C][O][C][C],0 | |
| CCN(CC)c1cc2[o+]c3cc(N(CC)CC)c(C)cc3c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c2cc1C,[C][C][N][Branch1][Ring1][C][C][C][=C][C][=O+1][C][=C][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=C][Branch1][C][C][C][=C][Ring1][N][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][C][C],0 | |
| CC(O)CCO,[C][C][Branch1][C][O][C][C][O],0 | |
| Cc1cnc2c(C(=O)O)c(Cl)ccc2c1,[C][C][=C][N][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch2][=C][Ring1][=C],0 | |
| CCc1ccccc1N,[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N],0 | |
| CC(Cc1ccccc1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C,[C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C],0 | |
| NCCN1CCOCC1,[N][C][C][N][C][C][O][C][C][Ring1][=Branch1],0 | |
| c1ccc([Hg]c2ccccc2)cc1,[C][=C][C][=C][Branch1][#Branch2][Hg][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],0 | |
| O=c1cc[nH]c(=S)[nH]1,[O][=C][C][=C][NH1][C][=Branch1][C][=S][NH1][Ring1][#Branch1],0 | |
| CC(=O)c1sc(C)nc1C,[C][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C],0 | |
| CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1,[C][C][C][C][C][C][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][=C],0 | |
| Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1,[N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][=C],0 | |
| Oc1cc(Cl)c(Cl)c(Cl)c1Cl,[O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl],0 | |
| NC(Cc1ccc(F)cc1)C(=O)O,[N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O],0 | |
| CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,[C][C][=Branch1][C][=O][O][C@][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][C@H1][C@@H1][C][=C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][#Branch1][C],0 | |
| COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O,[C][O][C][=Branch1][C][=O][C@@H1][C@H1][C][C@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][C@@H1][Ring1][P][C][C][C@@H1][Ring2][Ring1][Branch1][O],0 | |
| CCC=CC#N,[C][C][C][=C][C][#N],0 | |
| CC(=O)c1ccc(C(C)=O)cc1,[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2],0 | |
| CC1(C)C(=O)NC(=O)NC1=O,[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=Branch2][=O],0 | |
| CCOc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(OCC)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1,[C][C][O][C][=C][C][=C][Branch2][Branch1][N][N][=N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][C][=C][Branch1][S][N][=N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring2][Ring1][P][C][=C][Ring2][Ring2][=Branch2],0 | |
| CC(O)COCC(C)O,[C][C][Branch1][C][O][C][O][C][C][Branch1][C][C][O],0 | |
| C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N,[C][/C][=Branch1][P][=C][Branch1][Ring2][/C][C][O][S][S][C][C][C][C][C][O][Ring1][Branch1][N][Branch1][Ring1][C][=O][C][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N],0 | |
| CCCCCCCCCCCCCCCCCCO,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O],0 | |
| CC(C)=O,[C][C][Branch1][C][C][=O],0 | |
| CCCCCC(=O)OCC,[C][C][C][C][C][C][=Branch1][C][=O][O][C][C],0 | |
| NCc1cccnc1,[N][C][C][=C][C][=C][N][=C][Ring1][=Branch1],0 | |
| C=CCOC(=O)c1ccc(C(=O)OCC=C)c(C(=O)OCC=C)c1,[C][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][O][C][C][=C][C][Branch1][=Branch2][C][=Branch1][C][=O][O][C][C][=C][=C][Ring2][Ring1][C],0 | |
| NC(=S)NS(=O)(=O)c1ccc(N)cc1,[N][C][=Branch1][C][=S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],0 | |
| CC12CCC(C1)C(C)(C)C2O,[C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][O],0 | |
| CCCCCCCOC(=O)c1ccc(O)cc1,[C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0 | |
| NCC(O)c1ccc(O)cc1,[N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0 | |
| CC1=C(O)C(=O)OC1C,[C][C][=C][Branch1][C][O][C][=Branch1][C][=O][O][C][Ring1][#Branch1][C],0 | |
| CCOC(=O)c1ccc(OCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1,[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][C][O][C][=C][Ring2][Ring1][Ring2],0 | |
| CCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1,[C][C][N][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N],0 | |
| CCNC(C)Cc1ccc2c(c1)OCO2,[C][C][N][C][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],0 | |
| C=C(C)CS(=O)(=O)[O-],[C][=C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1],0 | |
| COC(=O)CCC(=O)O,[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O],0 | |
| NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,[N][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch1][C][N][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O],0 | |
| O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl,[O][=C][C][C][C][=C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][S][C][Branch1][C][Cl][Branch1][C][Cl][Cl],1 | |
| C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC,[C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][=C][Ring1][O][C][=C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C],0 | |
| Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)OCCO)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,[C][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][Branch2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][C@@][Branch1][C][C][Branch2][Ring1][#Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C][C@H1][Branch1][C][C][C][C][C][C][Branch1][C][C][C][O][Ring2][Ring2][Branch1],0 | |
| Cc1cc(C)c(C)c(C)c1,[C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2],0 | |
| CCCCCCCCCCCC,[C][C][C][C][C][C][C][C][C][C][C][C],0 | |
| C=CC(=O)OCC(O)COc1ccccc1,[C][=C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| c1ccc([C@H]2CN3CCSC3=N2)cc1,[C][=C][C][=C][Branch1][=N][C@H1][C][N][C][C][S][C][Ring1][Branch1][=N][Ring1][Branch2][C][=C][Ring1][=C],0 | |
| COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1,[C][O][C][=C][C][=C][NH1][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][C][C][=N][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1],0 | |
| CC(C)c1ccc(S(=O)(=O)[O-])cc1,[C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2],0 | |
| CCCCCCCCCCCCCCCCCC(=O)O[AlH3](O)O,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][AlH3][Branch1][C][O][O],0 | |
| CC/C=C1/OC(=O)c2ccccc21,[C][C][/C][=C][/O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],0 | |
| CCOCC(=O)O,[C][C][O][C][C][=Branch1][C][=O][O],0 | |
| CN(CCCCCCCCCCN(C)C(=O)Oc1ccccc1[N+](C)(C)C)C(=O)Oc1ccccc1[N+](C)(C)C,[C][N][Branch2][Ring2][Ring2][C][C][C][C][C][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][C][Branch1][C][C][C],0 | |
| O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O,[O][=P][Branch1][C][O][Branch1][C][O][C][N][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O],0 | |
| COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13,[C][O][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@@][O][C@@H1][Ring1][Ring1][C][C@@][Branch1][C][C][C@@H1][Branch1][#C][C][C][C@@][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1][C@H1][Ring2][Ring1][#Branch2][Ring1][S],0 | |
| CC(C)NC(=O)NC(C)C,[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C],0 | |
| N#Cc1ccccc1C#N,[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N],0 | |
| COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1,[C][O][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0 | |
| CCCC[Sn](Cl)(Cl)CCCC,[C][C][C][C][Sn][Branch1][C][Cl][Branch1][C][Cl][C][C][C][C],0 | |
| N=C(N)NC(=N)N1CCOCC1,[N][=C][Branch1][C][N][N][C][=Branch1][C][=N][N][C][C][O][C][C][Ring1][=Branch1],0 | |
| CCC(C)Nc1ccc(NC(C)CC)cc1,[C][C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][Branch2][N][C][Branch1][C][C][C][C][C][=C][Ring1][O],0 | |
| Cc1nc(N)nc(N)n1,[C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][Ring1][Branch2],0 | |
| CC(=O)Nc1ccccc1O,[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O],0 | |
| CC(=O)O[Hg]c1ccccc1,[C][C][=Branch1][C][=O][O][Hg][C][=C][C][=C][C][=C][Ring1][=Branch1],1 | |
| O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46,[O][=C][C][C@@H1][O][C][C][=C][C][N][C][C][C@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C@H1][Ring1][=Branch2][C@H1][Ring2][Ring1][Ring1][C@H1][Ring1][S][C][C@H1][Ring1][S][Ring1][=N],0 | |
| O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1,[O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0 | |
| COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1,[C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][C][Branch1][=N][C][=N][N][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][=C][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][Ring2][Ring1][#Branch1],1 | |
| CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2,[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Ring2],0 | |
| C1CN(P2(N3CC3)=NP(N3CC3)(N3CC3)=NP(N3CC3)(N3CC3)=N2)CCO1,[C][C][N][Branch2][Ring2][=N][P][Branch1][=Branch1][N][C][C][Ring1][Ring1][=N][P][Branch1][=Branch1][N][C][C][Ring1][Ring1][Branch1][=Branch1][N][C][C][Ring1][Ring1][=N][P][Branch1][=Branch1][N][C][C][Ring1][Ring1][Branch1][=Branch1][N][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch1][C][C][O][Ring2][Ring1][O],1 | |
| CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Zn+2],[C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1].[C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1].[Zn+2],0 | |
| CCCC[n+]1ccc(C)cc1.F[B-](F)(F)F,[C][C][C][C][N+1][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1].[F][B-1][Branch1][C][F][Branch1][C][F][F],0 | |
| CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)[O-])cc1,[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][#Branch1],0 | |
| CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O,[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@@H1][Branch1][C][O][C@H1][O][C][C@H1][Branch1][C][O][C@H1][Ring1][=Branch1][O],0 | |
| CCOC(=O)c1cccnc1,[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1],0 | |
| O=C(C(Cl)Cl)N1CCOC12CCCCC2,[O][=C][Branch1][=Branch1][C][Branch1][C][Cl][Cl][N][C][C][O][C][Ring1][Branch1][C][C][C][C][C][Ring1][=Branch1],0 | |
| Oc1cccc(Nc2ccccc2)c1,[O][C][=C][C][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N],0 | |
| CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1,[C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1],0 | |
| NC(=O)OCC(COC(N)=O)c1ccccc1,[N][C][=Branch1][C][=O][O][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| Fc1ccccc1[C@@H](F)CO[C@H]1CC[C@H](Nc2[nH]cnc3nncc2-3)CC1,[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][F][C][O][C@H1][C][C][C@H1][Branch1][#C][N][C][NH1][C][=N][C][=N][N][=C][C][=Ring1][=Branch2][Ring1][Branch1][C][C][Ring1][S],0 | |
| CC(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,[C][C][Branch2][Branch1][Branch1][/C][=C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][=C][\C][=C][\C][=C][Branch1][C][C][\C][=C][\C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O],0 | |
| NCCCCCCN,[N][C][C][C][C][C][C][N],0 | |
| COc1ccc(OC)cc1,[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],0 | |
| Cc1ccc(Cl)c(O)c1,[C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][O][=C][Ring1][Branch2],0 | |
| O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F],1 | |
| CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2,[C][C][C][C][C@H1][C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=C][C][C][N][Branch2][Ring1][=C][C][Branch1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][N][=C][Ring1][#Branch1][C][C][C][Ring1][P][C][C][Ring2][Ring1][#Branch1],0 | |
| OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2,[O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1],0 | |
| C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C,[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][Branch1][N][C][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C],0 | |
| CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-],[C][C][C][N][Branch1][Ring2][C][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1],0 | |
| COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC,[C][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][N][C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C],0 | |
| O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21,[O][=C][O][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2],0 | |
| CCCCNS(=O)(=O)c1ccccc1,[C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](OC3OC(CN)=CCC3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](OC3OC(CN)=CCC3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,[C][N][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][C][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][#C][O][C][O][C][Branch1][Ring1][C][N][=C][C][C][Ring1][Branch2][N][C@@H1][Branch1][C][N][C][C@H1][Ring2][Ring1][C][N][O][C][C@][Ring2][Ring1][O][Branch1][C][C][O].[C][N][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][C][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][#C][O][C][O][C][Branch1][Ring1][C][N][=C][C][C][Ring1][Branch2][N][C@@H1][Branch1][C][N][C][C@H1][Ring2][Ring1][C][N][O][C][C@][Ring2][Ring1][O][Branch1][C][C][O],0 | |
| CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,[C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C],0 | |
| OCC(O)COc1ccc(Cl)cc1,[O][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0 | |
| O=C(O)Cc1c(Cl)ccc(Cl)c1Cl,[O][=C][Branch1][C][O][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl],0 | |
| CCOS(=O)(=O)OCC,[C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C],0 | |
| CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,[C][O][C@H1][C][=C][O][C@@][Branch1][C][C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Branch2][Ring1][#C][C][=C][Branch1][#C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][Ring1][#Branch2][C][Ring1][#C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch2][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][=C][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Branch1][=Branch1][C],0 | |
| COC(C)(C)OC,[C][O][C][Branch1][C][C][Branch1][C][C][O][C],0 | |
| O=[N+]([O-])c1cccc2cccnc12,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1],0 | |
| Oc1cccc(O)c1,[O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1],0 | |
| COC(C)(C)CCO,[C][O][C][Branch1][C][C][Branch1][C][C][C][C][O],0 | |
| FC(F)OC(F)(F)C(F)Cl,[F][C][Branch1][C][F][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Cl],0 | |
| O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0 | |
| Clc1cccc(-c2cc(Cl)cc(Cl)c2)c1,[Cl][C][=C][C][=C][C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][=C],0 | |
| OCc1ccccn1,[O][C][C][=C][C][=C][C][=N][Ring1][=Branch1],0 | |
| OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,[O][C][C@H1][O][C@@H1][Branch1][=N][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][S][O],0 | |
| CNc1ccc(O)cc1.CNc1ccc(O)cc1,[C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1].[C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0 | |
| N#CCc1cccc(C(F)(F)F)c1,[N][#C][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],0 | |
| CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][C][O][C@H1][Branch1][C][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][C][Ring2][Ring1][#Branch1][C],0 | |
| C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2)cc1,[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C][C][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch2],0 | |
| CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,[C][N][C][C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CC(=O)C=Cc1ccc2c(c1)OCO2,[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],0 | |
| Oc1cn2c(n1)Nc1ccc(Cl)c(Cl)c1C2,[O][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=N],0 | |
| O=c1nn[nH]c2ccccc12,[O][=C][N][=N][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],0 | |
| CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,[C][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][C][C@@][Ring1][S][Ring2][Ring1][Ring2][C],0 | |
| Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O],0 | |
| Cc1ccc(C(C)(C)C)c(O)c1,[C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][O][=C][Ring1][O],0 | |
| CCC(CC)(CNC(=O)CCCO)c1cccc(OC)c1,[C][C][C][Branch1][Ring1][C][C][Branch1][O][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2],0 | |
| CCN(Cc1ccccc1)c1ccccc1,[C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc2cc(C)cc(C)c2)c1,[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][=Branch1][O][P][=Branch1][C][=O][Branch1][S][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][N],0 | |
| O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1,[O][=C][Branch1][=C][O][C@H1][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C][=Branch1][C][=O][N][=Ring1][S],1 | |
| O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl,[O][=C][Branch1][=Branch2][N][O][C][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][Cl],1 | |
| CN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21,[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring2][Ring1][Branch1],0 | |
| c1ccc(-c2cccc(-c3ccccc3)c2)cc1,[C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][C],0 | |
| Cc1cc(OCCOCC[N+](C)(C)Cc2ccccc2)ccc1C(C)(C)CC(C)(C)C,[C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C],0 | |
| C=CCS(=O)(=O)[O-],[C][=C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1],0 | |
| CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl,[C][N][Branch1][C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],0 | |
| COc1cc(CCN)cc(OC)c1OC,[C][O][C][=C][C][Branch1][Ring2][C][C][N][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][O][C],0 | |
| Cc1cc(C)c(C)c(O)c1,[C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][=Branch2],0 | |
| Cc1cc(O)c(C(C)(C)C)cc1C(C)(C)C,[C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][O][C][Branch1][C][C][Branch1][C][C][C],0 | |
| CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,[C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][N][=C][Ring2][Ring1][#Branch1],0 | |
| CCCCCCCCCCCCCCCC(=O)O,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O],0 | |
| O=S(c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O,[O][=S][Branch1][S][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O],1 | |
| Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,[Cl][C][=C][C][=C][Branch2][Ring1][O][C][C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][S][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][Branch2],0 | |
| CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,[C][O][C@@][C][C][C@@][Branch2][Ring1][Ring2][C][C@@H1][Ring1][=Branch1][C@][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring2][Ring1][Ring2][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][#C][O][Ring1][N],0 | |
| S=c1nccc[nH]1,[S][=C][N][=C][C][=C][NH1][Ring1][=Branch1],0 | |
| CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1,[C][N][C][C][C][=Branch2][Ring1][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][C][Ring2][Ring1][Ring2],0 | |
| Nc1ccccc1-c1ccccc1,[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)[O-])n1,[C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][C][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1][=N][Ring2][Ring1][Ring1],0 | |
| C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,[C][=C][/C][=Branch2][Ring2][Branch1][=C][\C][=C][/C][C][C][C@][Branch1][C][C][C@@H1][Branch1][S][C@H1][Branch1][C][C][/C][=C][/C@@H1][Branch1][C][O][C][C][C][Ring1][Ring1][C][C][C@@H1][Ring2][Ring1][Ring1][Ring1][#C][C][C@@H1][Branch1][C][O][C][C@@H1][Ring2][Ring1][N][O],0 | |
| CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C,[C][C][O][C][=Branch1][C][=O][O][C][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][S][S][C][Ring2][Ring1][Ring1][Branch1][C][C][C],0 | |
| CCOCCOC(C)=O,[C][C][O][C][C][O][C][Branch1][C][C][=O],0 | |
| CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O,[C][C][C][Branch1][C][C][Branch2][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][O][C][Branch1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C][C][C][C][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][C][=Branch1][C][=O][O],0 | |
| COP(=S)(OC)Oc1ccc(SC)c(C)c1,[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][Branch1][C][C][=C][Ring1][=Branch2],0 | |
| NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C][=O],0 | |
| Cc1ccccc1S(=O)(=O)[O-],[C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O-1],0 | |
| Nc1c2ccccc2nc2ccccc12,[N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1],1 | |
| CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,[C][C][Branch1][C][C][O][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C@@H1][Branch1][C][O][C][C@][Ring1][P][Branch1][C][C][C@][Ring2][Ring1][Branch1][Branch1][#Branch1][C][=Branch1][C][=O][C][O][O][Ring2][Ring1][=N],0 | |
| CCCn1c(=O)[nH]c(=O)c2[nH]cnc21,[C][C][C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][Ring1][O],0 | |
| CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,[C][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][O][C][S][C][=C][C][=Ring1][Branch1][S][Ring2][Ring1][Ring1][=Branch1][C][=O][=O],0 | |
| O=C(C=Cc1ccccc1)OCCc1ccccc1,[O][=C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| c1ccc(Nc2cccc3ccccc23)cc1,[C][=C][C][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P],0 | |
| CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O,[C][C][Branch1][C][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C@H1][Ring1][Branch1][S][Ring1][N][=Branch1][C][=O][=O],0 | |
| C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21.C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21,[C][C@@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C].[C][C@@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C],0 | |
| CCOC(=O)COc1ccc2c(c1)CC(NCC(O)c1cccc(Cl)c1)CC2,[C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch2][Ring1][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C],0 | |
| CCCC(C)C(=O)O,[C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O],0 | |
| CC(=O)C1=C(C)[C@@H]2C[C@@]3(C1)[C@H](C)CC[C@H]3C2(C)C,[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C@@H1][C][C@@][Branch1][Ring2][C][Ring1][#Branch1][C@H1][Branch1][C][C][C][C][C@H1][Ring1][#Branch1][C][Ring1][#Branch2][Branch1][C][C][C],0 | |
| CC(=O)/C=C/C=C1/C2CCC(C2)C1(C)C,[C][C][=Branch1][C][=O][/C][=C][/C][=C][/C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][Branch1][C][C][C],0 | |
| CCCCCCCCCCCCCCC1CO1,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][Ring1][Ring1],0 | |
| COc1c2ccoc2cc2oc(=O)ccc12,[C][O][C][=C][C][=C][O][C][Ring1][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][Ring1][=C][=Ring1][#Branch1],0 | |
| CCCCCCCCCCCCSC#N,[C][C][C][C][C][C][C][C][C][C][C][C][S][C][#N],0 | |
| CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C,[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@][Branch1][C][C][C][C][N][Branch1][C][C][C@@H1][Ring1][#Branch1][N][Ring1][O][C],0 | |
| CC(C)O[Ti](OCCN(CCO)CCO)(OCCN(CCO)CCO)OC(C)C,[C][C][Branch1][C][C][O][Ti][Branch1][=N][O][C][C][N][Branch1][Ring2][C][C][O][C][C][O][Branch1][=N][O][C][C][N][Branch1][Ring2][C][C][O][C][C][O][O][C][Branch1][C][C][C],0 | |
| CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2,[C][C][C@H1][O][C@][Branch1][#Branch1][C][C][C@@H1][Ring1][=Branch1][C][C][C@@H1][C][C@@H1][Branch2][Ring2][=N][C][C][=C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][O][C@@H1][C@H1][Branch1][C][O][C][Branch1][C][C][=C][C@@H1][Branch1][=Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][#Branch2][C@][Ring1][=C][Ring1][O][O][O][Ring2][Ring2][Ring1],0 | |
| COc1cc2c(cc1OC)[C@@H](c1ccccc1)CN(C)CC2,[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][Ring2][Ring1][C],0 | |
| COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2,[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][/C][=Branch1][P][=N][\C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2],0 | |
| CC(O)C(C)O,[C][C][Branch1][C][O][C][Branch1][C][C][O],0 | |
| CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,[C][C][Branch1][C][C][C][=N][C][Branch2][=Branch1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][N][=C][S][Ring1][Branch1][C][Branch1][C][C][C][=C][S][Ring2][Ring2][#C],0 | |
| CC(C)C(C)C,[C][C][Branch1][C][C][C][Branch1][C][C][C],0 | |
| CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][P+1][Branch1][#Branch1][C][C][C][C][C][C][Branch1][#Branch1][C][C][C][C][C][C][C][C][C][C][C][C],0 | |
| O=C(O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,[O][=C][Branch1][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0 | |
| CCn1cc[n+](C)c1C.O=S(=O)([O-])C(F)(F)F,[C][C][N][C][=C][N+1][Branch1][C][C][=C][Ring1][=Branch1][C].[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F],0 | |
| COC(=O)Cc1cccc2ccccc12,[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],0 | |
| CCCOCCO,[C][C][C][O][C][C][O],0 | |
| COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch1][C][C][C][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][C][Ring2][Ring1][Ring2],0 | |
| CCCOC(=O)c1cncn1C(C)c1ccccc1,[C][C][C][O][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| Oc1ccccc1-c1ccccc1,[O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl,[O][=C][C][C][C][=C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][S][C][Branch1][C][Cl][Branch1][C][Cl][C][Branch1][C][Cl][Cl],0 | |
| CCCN[C@H]1CCc2nc(N)sc2C1,[C][C][C][N][C@H1][C][C][C][N][=C][Branch1][C][N][S][C][=Ring1][=Branch1][C][Ring1][#Branch2],0 | |
| Nc1c(Cl)cc([N+](=O)[O-])cc1Cl,[N][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][Cl],0 | |
| O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],0 | |
| CC(CO)(CO)[N+](=O)[O-],[C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][N+1][=Branch1][C][=O][O-1],0 | |
| CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1,[C][C][O][P][=Branch1][C][=S][Branch1][P][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| CCCC/C=C/CCCCO,[C][C][C][C][/C][=C][/C][C][C][C][O],0 | |
| CC(C)(c1ccc(O)cc1)c1ccc(O)cc1,[C][C][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0 | |
| Oc1ccc(-c2ccc(O)cc2)cc1,[O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=N],1 | |
| C#CC(O)(/C=C\Cl)CC,[C][#C][C][Branch1][C][O][Branch1][Ring2][/C][=C][\Cl][C][C],0 | |
| CC(Oc1cc(Cl)ccc1Cl)C(=O)O,[C][C][Branch1][=C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O],0 | |
| Oc1cc(O)cc(O)c1,[O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2],0 | |
| CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,[C][C][C][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@][Ring2][Ring1][C][Ring1][#C][C],1 | |
| CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1,[C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Branch2][Ring2][C][C][=Branch1][C][=O][O][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=C][Branch1][C][N][N][Ring2][Ring2][#Branch2],0 | |
| C=CC(=O)OCCC#N,[C][=C][C][=Branch1][C][=O][O][C][C][C][#N],0 | |
| CNCC[C@@H](Oc1ccccc1C)c1ccccc1,[C][N][C][C][C@@H1][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| COC(=O)/C=C(\C)OP(=O)(OC)OC,[C][O][C][=Branch1][C][=O][/C][=C][Branch1][C][\C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C],0 | |
| CCO[C@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O,[C][C][O][C@H1][Branch2][Ring2][Ring2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O],0 | |
| CCCC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,[C][C][C][C][=Branch1][C][=O][O][C@][Branch1][=N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C@@H1][Branch1][C][O][C][C@@][Ring1][P][Ring2][Ring1][N][C],0 | |
| CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][C][C][N][C][C][C][Branch2][Ring1][Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#C],0 | |
| C[C@]12C(=O)OC(=O)[C@H]1[C@H]1C=C[C@@H]2C1,[C][C@][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C@H1][Ring1][#Branch1][C@H1][C][=C][C@@H1][Ring1][O][C][Ring1][Branch1],0 | |
| C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O.C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O,[C][C@][Branch1][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O].[C][C@][Branch1][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O],0 | |
| CCCCCCCC/C=C/C(=O)[O-].CCCCCCCC/C=C/C(=O)[O-],[C][C][C][C][C][C][C][C][/C][=C][/C][=Branch1][C][=O][O-1].[C][C][C][C][C][C][C][C][/C][=C][/C][=Branch1][C][=O][O-1],0 | |
| CCC(C)C(C)(COC(N)=O)COC(N)=O,[C][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][Branch1][C][N][=O],0 | |
| O=C(O)CCN(C1(C(=O)NO)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1,[O][=C][Branch1][C][O][C][C][N][Branch1][S][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][C][C][C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C],0 | |
| NCCN1CCNC1=O,[N][C][C][N][C][C][N][C][Ring1][Branch1][=O],0 | |
| C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C,[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C],0 | |
| CC(C)Cn1cnc2c(N)nc3ccccc3c21,[C][C][Branch1][C][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][Ring1][=C],0 | |
| CNCCCN1c2ccccc2CCc2ccccc21,[C][N][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C],0 | |
| CN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,[C][N][C][C][N][Branch2][Ring2][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][C][C][C][Ring2][Ring1][N],0 | |
| CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,[C][O][C@H1][C][=C][O][C@@][Branch1][C][C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Branch2][Ring1][P][C][Branch1][=C][/C][=N][/N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][C][O][C][Ring1][P][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][O][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][=C][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Branch1][Branch2][C],0 | |
| CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1,[C][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=N][Ring1][#C][C][C][Ring2][Ring1][=Branch1],0 | |
| COC(=O)CCCCC(=O)O,[C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][O],0 | |
| CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][N][Ring1][=N][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][O],0 | |
| Nc1nccs1,[N][C][=N][C][=C][S][Ring1][Branch1],0 | |
| C1CC(COCC2CO2)CCC1COCC1CO1,[C][C][C][Branch1][=Branch2][C][O][C][C][C][O][Ring1][Ring1][C][C][C][Ring1][N][C][O][C][C][C][O][Ring1][Ring1],0 | |
| C=CC(=O)OC,[C][=C][C][=Branch1][C][=O][O][C],0 | |
| CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O,[C][C][C][C][Sn][Branch1][Branch1][C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O],1 | |
| CC(C)SCc1ccco1,[C][C][Branch1][C][C][S][C][C][=C][C][=C][O][Ring1][Branch1],0 | |
| CCCCCCC(O)CCOC(C)=O,[C][C][C][C][C][C][C][Branch1][C][O][C][C][O][C][Branch1][C][C][=O],0 | |
| O=C1c2ccccc2C(=O)C1c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2n1,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][Ring1][=C][=N][Ring2][Ring1][C],0 | |
| CCCCCCCCCCC(=O)O,[C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O],0 | |
| N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,[N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O],0 | |
| O=C(O)Cc1ccccc1,[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0 | |
| C1COCCO1,[C][C][O][C][C][O][Ring1][=Branch1],0 | |
| CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2,[C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][P][C][C][C][N][C][C][C][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][#Branch1],0 | |