molecule_smiles
stringlengths 1
1.82k
| SELFIES
stringlengths 3
6.66k
|
|---|---|
COC(=O)CC1CCC(=O)C1CC1CCCCC1 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][C][C][C][C][C][C][C][Ring1][=Branch1] |
c1ccc(COc2ccccc2CCn2cnc(-c3cc(-c4c[nH]nn4)ccn3)c2)cc1 | [C][=C][C][=C][Branch2][Ring2][Branch2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][=C][NH1][N][=N][Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S][C][=C][Ring2][Ring1][S] |
Cn1c(Cc2ccccc2C(F)(F)F)nc(C(=O)Nc2ccccc2)c(O)c1=O | [C][N][C][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][Ring2][Ring1][O][=O] |
CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][C][Branch2][Ring2][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][=C][C][=C][Ring1][#Branch2][O][C][=C][Branch1][C][C][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring2][Ring1][N][NH1][Ring2][Ring1][#C] |
Cc1cccc(-c2nc(NC3CCC(F)(F)CC3)nc(NC3CCC(F)(F)CC3)n2)n1 | [C][C][=C][C][=C][C][Branch2][Ring2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=C] |
CC(Oc1cccc(Cl)c1)c1nc([C@H]2[C@H](c3ccc(S(N)(=O)=O)cc3)C2(C)C)no1 | [C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][#C][C@H1][C@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Ring1][=N][Branch1][C][C][C][=N][O][Ring2][Ring1][Ring2] |
NC(=O)c1c(F)ccc(OCc2cc(-c3ccccc3)no2)c1F | [N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring2][F] |
Cc1cccc(Cn2c(=O)c(C(=O)Nc3ccc(Cl)cc3)c(-c3ccccc3)c3cc(Cl)ccc32)c1 | [C][C][=C][C][=C][C][Branch2][Branch1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][N][=C][Ring2][Ring2][Ring1] |
O=S(=O)(c1cccc(F)c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CCCNC(=S)c1c(C)[nH]n(-c2ccccc2)c1=O | [C][C][C][N][C][=Branch1][C][=S][C][=C][Branch1][C][C][NH1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] |
Nc1cc(C(F)F)c(-c2nc(N3CC4CCC(C3)O4)nc(N3CC4CCC(C3)O4)n2)cn1 | [N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Branch2][Ring2][#Branch2][C][=N][C][Branch1][#C][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][O][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][O][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1][C][=N][Ring2][Ring1][#C] |
[223Ra] | [223Ra] |
OCc1cc2c3ccccc3n(Cc3ccc(Cl)cc3)c2c(-c2c[nH]c3ccccc23)n1 | [O][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][P][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=C] |
COc1cccc(NC(=O)COC(=O)[C@]23CC[C@@H](C)[C@H](C)[C@H]2C2=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)c1 | [C][O][C][=C][C][=C][C][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][Ring2][Ring1][=C][=C][Ring2][Ring2][O] |
COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2F)c2ccccc12 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][F][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1] |
O=C(Cn1nnc(N2CCCCC2)n1)NN=Cc1ccccc1O | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CC1CO/C(=C2\C(=O)OCC2C)C1 | [C][C][C][O][/C][=Branch1][N][=C][\C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][C][Ring1][N] |
CC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 | [C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C@@][C][=C][C@][Ring1][=Branch1][Branch1][Ring1][O][C][C@@H1][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C@@][Ring1][O][Ring1][P][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@@H1][Ring2][Ring1][=Branch2][C][Ring1][N] |
CCCCC(NC(=O)C(Cc1ccc(Br)cc1)NC(=O)C1CCCN1C(C)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O | [C][C][C][C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O] |
O=C(c1cccnc1)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][/C][=C][/C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O] |
COc1ccc(Nc2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][N][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][O][C][=C][Ring2][Ring2][C] |
CC(C)n1cc(-c2ncnc3c2cnn3CCN2CCCCC2)cn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch1] |
CC(C)N1CCC(N2CCCN(c3cccc(C(=O)Nc4ccncc4)n3)CC2)CC1 | [C][C][Branch1][C][C][N][C][C][C][Branch2][Ring2][Branch1][N][C][C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][#C][C][C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][N] |
COc1cc(C2c3cc4c(cc3OC(=N)C2C#N)NCCC4)cc(Br)c1OC | [C][O][C][=C][C][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][#C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=N][C][Ring1][O][C][#N][N][C][C][C][Ring1][=C][=C][C][Branch1][C][Br][=C][Ring2][Ring1][Branch2][O][C] |
Cc1ccc(C=C2C(=O)C3(C)CCC2C3(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][Branch2][C][Ring1][=Branch1][Branch1][C][C][C][C][=C][Ring2][Ring1][C] |
C#CCn1c(=O)n(Cc2cc(C)no2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21 | [C][#C][C][N][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][O] |
[76BrH] | [76BrH1] |
CCOC(=O)C1(C#N)C(=O)CS/C1=N/c1ccccc1Cl | [C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][S][/C][Ring1][Branch2][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
O=c1ccc(=NNc2ccccc2)c(=O)c1=NNc1ccccc1 | [O][=C][C][=C][C][=Branch1][O][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][#C][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
N#Cc1c(N)[nH]c(-c2cccc(Cl)c2)c1C(=O)c1ccccc1Cl | [N][#C][C][=C][Branch1][C][N][NH1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CC1CC(O)C2C3(C)CCCC2(COC3=O)C12CCC1(CCOC1=O)O2 | [C][C][C][C][Branch1][C][O][C][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][#Branch1][C][O][C][Ring1][=Branch2][=O][C][Ring1][S][C][C][C][Branch1][Branch2][C][C][O][C][Ring1][Branch1][=O][O][Ring1][#Branch2] |
O=C(Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1)c1ccc(F)cc1 | [O][=C][Branch2][Ring2][Ring2][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
Cn1c2c(sc1=O)CCC2 | [C][N][C][=C][Branch1][=Branch1][S][C][Ring1][Branch1][=O][C][C][C][Ring1][Branch2] |
CC12CCC3C(CCC4Cc5[nH]c6ccccc6c5CC43C)C1CCC2O | [C][C][C][C][C][C][Branch2][Ring1][=Branch2][C][C][C][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][Ring1][=N][Ring1][P][C][C][Ring2][Ring1][=Branch1][C][C][C][Ring2][Ring1][=Branch2][O] |
COc1cc2nc(N3CCCCC3)nc(NC3CCN(Cc4ccc(C)cc4)CC3)c2cc1OC | [C][O][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Branch2][N][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][#C][O][C] |
COc1ccn(C2CCCCO2)c(=O)n1 | [C][O][C][C][=C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][=Ring1][=N] |
CCC[C@H](C)Nc1ncc2c(-c3ccc(NC4CCNCC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 | [C][C][C][C@H1][Branch1][C][C][N][C][=N][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][=N][Ring2][Ring1][=N] |
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)c3[nH]ncc3C[C@@H]12 | [C][C@][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][=C][C][C@@H1][C@@H1][Ring1][O][C][C][C@][Branch1][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][C@@H1][Ring1][=N][Ring1][=Branch2] |
Cc1cc(-c2ccc3c(c2)CCC3N2CCC(N(C)C(=O)NCc3cccc(Cl)c3Cl)CC2)ncn1 | [C][C][=C][C][Branch2][Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring2][Ring1][Ring2][=N][C][=N][Ring2][Ring2][Ring1] |
O=C(C=Cc1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1)c1ccc(F)cc1 | [O][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CC(C)(C)n1nc(C2CC2)cc1NC(=O)Nc1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
C[C@H]1[C@H](C)CC[C@]2(C(=O)NCCCCN)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 | [C][C@H1][C@H1][Branch1][C][C][C][C][C@][Branch1][O][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][C@][Branch1][C][C][C][=Branch2][Ring1][P][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@H1][Ring2][Ring2][Branch1][Ring2][Ring1][S] |
Cc1ccncc1N1CCN(c2ccnc(Cl)c2)C1=O | [C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][N][=O] |
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccnc2)n1)C1CC1 | [C][C@@H1][Branch2][Ring1][P][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][C][C][Ring1][Ring1] |
C#CCOc1ccc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)cc1 | [C][#C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][N][=N][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][Ring1][#C][N][C][=C][Ring2][Ring1][=Branch1] |
CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1F | [C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][#C][F] |
O=Cc1ccc(OCCCCc2cn(CCOCCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)nn2)cc1 | [O][=C][C][=C][C][=C][Branch2][Branch1][=Branch1][O][C][C][C][C][C][=C][N][Branch2][Ring2][=Branch1][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][N][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][#Branch2] |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Branch1][P][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][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C][Ring1][S][O][C][Branch1][C][O][C][Ring2][Ring2][#Branch2][O] |
COC(=O)C1=C(C(=O)OC)[C@@H]2CCC[C@H]1[C@H]1[C@@H]2N=NN1c1ccccc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@@H1][C][C][C][C@H1][Ring1][O][C@H1][C@@H1][Ring1][#Branch1][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCOc1ccc(-c2cc(C(=O)c3ccccc3)c3ccc(C(=O)O)ccc2-3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring1][Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][O] |
Cc1sc2cc1C1=C(CCC1)c1cc(sc1C)C(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C([C@H](O)C(C)C)NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(C(C)C)NC2=O | [C][C][S][C][=C][C][=Ring1][Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C@H1][Branch1][C][O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][#Branch1][=Branch1][=O] |
COc1ccc(CN(CC(=O)N(CCC(C)C)CC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)NCCCCC(NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CN(CCC(C)C)C(=O)CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)CNC(C)c2ccccc2)C(C)c2ccccc2)C(N)=O)C(=O)CN(C(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)CNC(C)c2ccccc2)C(C)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch3][Ring1][Ring1][#Branch1][C][N][Branch2][#C][Ring1][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][#Branch2][O][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][=N][Ring2] |
C=C1C(=O)[C@]23[C@H](O)[C@H]1C[C@H](O)[C@H]2[C@]12CCCC(C)(C)[C@H]1C[C@H]3O[C@@H]2OCCCn1cc(CN2C(=O)S/C(=C/CC)C2=O)nn1 | [C][=C][C][=Branch1][C][=O][C@][C@H1][Branch1][C][O][C@H1][Ring1][#Branch1][C][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][C@][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][C][C@H1][Ring2][Ring1][C][O][C@@H1][Ring1][N][O][C][C][C][N][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][S][/C][=Branch1][Ring2][=C][/C][C][C][Ring1][=Branch2][=O][N][=N][Ring1][S] |
O=C1OC(CN(Cc2ccccc2)Cc2ccccc2)CN1/N=C/c1ccc([N+](=O)[O-])o1 | [O][=C][O][C][Branch2][Ring1][#Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring2][Ring1][Branch1][/N][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2] |
COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@@H]3O | [C][O][C][=C][C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][O][C][C][C][C][O][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@H1][C][Branch1][=Branch2][C][C][C@][Ring1][=Branch2][Ring1][=Branch1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][C][O][C][C@H1][Ring1][Branch2][C][C@@H1][Ring1][S][O] |
CN1CCC(c2nc(C3CC3)c(-c3ccnc(Nc4ccc(N5CCNCC5)cc4)n3)s2)CC1 | [C][N][C][C][C][Branch2][Branch1][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Branch2][Ring1][S][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][Ring1][S][Ring2][Ring1][O][C][C][Ring2][Ring1][P] |
O=[N+]([O-])c1ccc(-c2csc(N/N=C/c3ccc(C(F)(F)F)cc3)n2)cc1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][P][C][=C][S][C][Branch2][Ring1][=Branch1][N][/N][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CC[C@@H](C)Nc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O | [C][C][C@@H1][Branch1][C][C][N][C][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=N][Ring1][O][=C][Branch1][C][C][C][=C][Ring2][Ring1][=N][C][Branch1][C][N][=O] |
CCCCCCCCCCCCCC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OCc5ccccc5)c5c4[C@@]2(CCN3C)[C@H]1O5 | [C][C][C][C][C][C][C][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][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C@@][Ring2][Ring1][C][Branch1][Branch2][C][C][N][Ring2][Ring1][Ring2][C][C@H1][Ring2][Ring1][#Branch2][O][Ring1][=Branch2] |
O=c1cc(-c2ccc(OCCOCCn3cc(CN4CCN(Cc5cn(CCOCCOc6ccc(-c7cc(=O)c8cc(F)ccc8o7)cc6)nn5)CC4)nn3)cc2)oc2ccc(F)cc12 | [O][=C][C][=C][Branch2][#Branch1][=N][C][=C][C][=C][Branch2][=Branch1][P][O][C][C][O][C][C][N][C][=C][Branch2][Branch1][S][C][N][C][C][N][Branch2][Branch1][Ring1][C][C][=C][N][Branch2][Ring2][#Branch1][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][=N][C][C][Ring2][Ring2][Ring2][N][=N][Ring2][Ring2][#Branch2][C][=C][Ring2][Branch1][=Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Branch1][P][Ring1][#Branch1] |
CC1=NC2=CC=CC3=NC(C(Cl)(Cl)Cl)=NC(=N1)N23 | [C][C][=N][C][=C][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][C][=Branch1][Ring2][=N][Ring1][S][N][Ring1][#C][Ring1][O] |
C[C@@H](O)c1nnc([C@H]2C[C@H](NC(=O)c3cc(-c4ccccc4)no3)C2)o1 | [C][C@@H1][Branch1][C][O][C][=N][N][=C][Branch2][Ring1][P][C@H1][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1] |
Cc1cc(-c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(C)c2)ccc1N1C(=O)CC2(CCCC2)C1=O | [C][C][=C][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2][=O][C][Branch1][C][C][=C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2][=O] |
C=CS(=O)(=O)N1CCCN(c2cc(NCCC(=O)O)nc(-c3ccccn3)n2)CC1 | [C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][=Branch1][C][=O][O][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2] |
O=C(Nc1ccc(F)cc1)c1cnc(SCc2cc(OC(F)(F)F)ccc2B(O)O)nc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][N][=C][Branch2][Ring1][O][S][C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][O][B][Branch1][C][O][O][N][=C][Ring2][Ring1][=Branch1] |
COc1c(C=C2SC(=S)NC2=O)c(NS(=O)(=O)c2cccs2)cc2c1OCO2 | [C][O][C][=C][Branch1][=N][C][=C][S][C][=Branch1][C][=S][N][C][Ring1][=Branch1][=O][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring2][Ring1][#Branch1][O][C][O][Ring1][Branch1] |
C[C@H](O)[C@@H](O)[C@@H](O)C(F)C=O | [C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Branch1][C][F][C][=O] |
COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
O[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)[C@H]1CCCCN1 | [O][C@@H1][Branch2][Ring2][=Branch2][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2][C@H1][C][C][C][C][N][Ring1][=Branch1] |
CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)N5CCOCC5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C | [C][C][C][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C@@][Ring2][Ring1][Ring2][Branch1][C][C][C@][Ring2][Ring1][=Branch2][Branch1][C][C][C][C][C@H1][Ring2][Ring1][#C][C][Ring2][Ring2][Ring1][Branch1][C][C][C] |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CC[C@H](N(C)C)C4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 | [C][C][C][C@H1][Branch1][C][C][N][C][=N][C][=C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][N][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][#C][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][O][=N][Ring2][Ring1][#C] |
ClC(Cl)(Cl)C1=NCc2nnn(Cc3ccccc3)c2N1 | [Cl][C][Branch1][C][Cl][Branch1][C][Cl][C][=N][C][C][N][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][N][Ring1][S] |
c1coc(-c2nc3ccc(-c4cc5ccccc5o4)cc3nc2-c2ccco2)c1 | [C][=C][O][C][Branch2][Ring2][=Branch1][C][=N][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][#C][N][=C][Ring2][Ring1][Ring1][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][=N] |
COc1cc2oc(-c3ccc(CN4CCCCC4)cc3)cc(=O)c2cc1OC | [C][O][C][=C][C][O][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][=C][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][O][C] |
COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)CCc2cc(OC)c(OC)c(OC)c2)C1OC | [C][O][C][=Branch1][C][=O][C][C][C][C][C][NH1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Ring1][O][C][C][N][Ring1][#C][C][C][Ring2][Ring1][Ring1][C][C][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Ring2][Ring2][Branch2][O][C] |
CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C=C(C)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | [C][C][=Branch1][C][=O][C@@][Branch1][C][O][C@H1][Branch1][C][C][C][C@H1][C@@H1][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@][Ring1][#C][Branch1][C][C][C@H1][Ring2][Ring1][Branch1][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][#Branch2][Ring2][Ring1][#C][C] |
Fc1cccc(COc2ccc(Nc3ncnc4cc(C#Cc5ccc(C(F)(F)F)nc5)sc34)cc2Cl)c1 | [F][C][=C][C][=C][C][Branch2][Branch1][=Branch1][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=N][C][=N][C][C][=C][Branch2][Ring1][Branch1][C][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][S][C][Ring2][Ring1][Branch1][=Ring1][P][C][=C][Ring2][Ring1][N][Cl][=C][Ring2][Ring2][Branch1] |
NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2[N+](=O)[O-])c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring2] |
CC(C)CN1C[C@@H]2CN(C(C)C)C[C@@H](C1)C21CCCCC1 | [C][C][Branch1][C][C][C][N][C][C@@H1][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C@@H1][Branch1][Ring2][C][Ring1][O][C][Ring1][#Branch2][C][C][C][C][C][Ring1][=Branch1] |
CCN(CC)c1nc(N[C@H](C)C2CC2)nc(-c2cccc(Cl)n2)n1 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] |
O=P(O)(O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O | [O][=P][Branch1][C][O][Branch1][C][O][O][C][C@H1][O][C][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O] |
O=C(/C=C/c1ccc(Cl)s1)c1ccc(Cl)s1 | [O][=C][Branch1][=N][/C][=C][/C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1] |
CCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(C)=O)C(C)C)[C@H](C)CC)[C@@H](C)O)C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)NCC)[C@@H](C)CC | [C][C][C][C][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][=N][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][C][C] |
c1ccc(-c2cc(-c3ccncc3)c(N3CCN(c4ncccn4)CC3)nn2)cc1 | [C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][N][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CC12C(=O)C=CC=C1CCC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16OC23C5C6=O)C(=O)O4 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][Branch1][C][C][C][Branch2][Ring1][Ring2][C][O][C][Ring2][Ring1][Ring1][O][C][Ring1][P][Ring1][N][C][Ring1][=Branch2][C][Ring1][Branch1][=O][C][=Branch1][C][=O][O][Ring1][S] |
N#Cc1[nH]nc2[nH]cnc(=O)c12 | [N][#C][C][NH1][N][=C][NH1][C][=N][C][=Branch1][C][=O][C][=Ring1][#Branch2][Ring1][#Branch1] |
O=P(OCc1ccccc1)(OCc1ccccc1)C(c1c[nH]c2ccc(F)cc12)c1c[nH]c2ccc(F)cc12 | [O][=P][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1] |
CCCC(NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(C)=O)C(C)C)[C@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)NCC | [C][C][C][C][Branch2][#Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch2][=Branch1][Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][=N][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C] |
CCN(C)Cc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3o2)cc1 | [C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
N#CC1(c2cc(Nc3nc(N[C@H]4CCC(F)(F)C4)nc(-n4ccc(C(F)(F)F)n4)n3)ccn2)CC1 | [N][#C][C][Branch2][Branch1][O][C][=C][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][#C][N][C@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][#Branch1][=C][C][=N][Ring2][Ring1][=C][C][C][Ring2][Ring1][P] |
COc1c(/C=N/NC(N)=O)c(OC)c(OC)c2c1CCO2 | [C][O][C][=C][Branch1][=Branch2][/C][=N][/N][C][Branch1][C][N][=O][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][C][C][O][Ring1][Branch1] |
CCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CN(C)C(=O)CCC(=O)O)C(C)C)[C@H](C)CC)[C@@H](C)O)C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)[C@@H](C)CC | [C][C][C][C][Branch2][=Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][C][C] |
CCCC(C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)[C@@H](C)CC)N(C)C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@H](C)CC)[C@@H](C)O | [C][C][C][C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][Branch1][C][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O] |
COc1cc2c(cc1OC)C(=O)CC(c1ccc(CN3CCCCC3)cc1)O2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][O][Ring2][Ring1][Branch2] |
O=[N+]([O-])c1ccc2[nH]c(CNc3c([N+](=O)[O-])ccc4ncccc34)nc2c1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][NH1][C][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=N][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][=N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] |
CCCC(C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)[C@@H](C)CC)N(C)C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CN(C)C(=O)CCC(=O)O)C(C)C)[C@H](C)CC)[C@@H](C)O | [C][C][C][C][Branch2][Branch1][Ring1][C][=Branch1][C][=O][N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O] |
Cc1c2ccccc2cc2c1ccc1ccccc12 | [C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CCN(C)Cc1ccc(/C=C/C(=O)c2cc(OC)c(OC)cc2O)cc1 | [C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][Branch1] |
O=C(NC1CC1)c1cc(Oc2ccc(/C=C/c3ccncc3)cc2)ccn1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=C][C][=N][Ring2][Ring1][Branch1] |
CCN(C)Cc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1 | [C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] |