smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
Cc1ccc(NC(=O)CN(C)[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)cc1C | 1,191,431,922 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C@@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][C][C@@H1][O][C@H1][Ring1][Branch1][C@H1][C][C@@H1][Ring1][=Branch1][Ring1][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][O][C] |
O=C(NCCCCO)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F | 470,451,912 | [O][=C][Branch1][#Branch1][N][C][C][C][C][O][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Ring1][#C][C][Branch1][C][F][Branch1][C][F][F] |
Cc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c(Br)c1 | 247,620,297 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][N][C][Branch1][C][Br][=C][Ring2][Ring1][=Branch1] |
C[C@@H](CN(C)C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21)c1nccs1 | 291,018,102 | [C][C@@H1][Branch2][Ring1][P][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][Ring1][N][C][=N][C][=C][S][Ring1][Branch1] |
Cc1cccc(CCCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c1 | 183,135,580 | [C][C][=C][C][=C][C][Branch2][Ring1][S][C][C][C][N][N][=C][Branch1][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C][C][=C][Ring2][Ring1][=Branch2] |
Cn1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccncc4F)C[C@@H]32)cn1 | 1,791,667,913 | [C][N][C][=C][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][O][C][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][C@@H1][Ring1][#C][Ring2][Ring1][C][C][=N][Ring2][Ring1][N] |
CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C(=O)OC)CC4)C3)C2)n[nH]1 | 1,836,283,051 | [C][C][C][=C][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][O][C@@][Branch2][Ring1][=N][C][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch1][C][Ring1][S][C][Ring2][Ring1][Branch1][=N][NH1][Ring2][Ring1][N] |
C[C@H]1CN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC[C@@H]1NC(=O)OC(C)(C)C | 740,881,627 | [C][C@H1][C][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=O][C][C][C@@H1][Ring2][Ring1][Ring2][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CCOc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 | 1,838,883,978 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C@][Branch2][Ring2][C][C][O][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=Branch2] |
O=C(NCC1(C2CC2)CCC1)C(=O)Nc1cc(Br)c(F)cc1F | 190,903,489 | [O][=C][Branch1][S][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] |
CCCC#CCN[C@@]12CCCC[C@H]1OCC2 | 1,994,166,952 | [C][C][C][C][#C][C][N][C@@][C][C][C][C][C@H1][Ring1][=Branch1][O][C][C][Ring1][=Branch2] |
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)[C@@H]1CC(=O)N(c3cccc(C)c3C)C1)C2 | 458,100,480 | [C][O][C][=Branch1][C][=O][C@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][Ring2][Ring1][=Branch1] |
CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3cc(F)ccc32)C1 | 112,745,860 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring2][Ring1][Ring1] |
Cc1[nH]ncc1C(=O)Nc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)nn1C | 280,478,658 | [C][C][NH1][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=N][N][Ring2][Ring1][C][C] |
Cc1noc(COCC(=O)Nc2cc(-c3ccsc3)nn2-c2ccccc2)n1 | 500,217,676 | [C][C][=N][O][C][Branch2][Ring1][P][C][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][O] |
CC[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@]2(F)CCCC=C2F)[C@H]1c1cccnc1)c1ccccc1 | 1,806,279,229 | [C][C][C@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@][Branch1][C][F][C][C][C][C][=C][Ring1][#Branch1][F][C@H1][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc[nH]n4)[C@H]3C2)no1 | 1,784,680,381 | [C][C][=C][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C@H1][C][O][C@@H1][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][=C][NH1][N][=Ring1][Branch1][C@H1][Ring1][=C][C][Ring2][Ring1][C][=N][O][Ring2][Ring1][=N] |
Cc1ccc(CN(C)C2=CC(=O)CC2)nc1 | 1,977,261,471 | [C][C][=C][C][=C][Branch1][S][C][N][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][C][Ring1][=Branch1][N][=C][Ring1][#C] |
C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3C)C2)C1 | 1,840,021,568 | [C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][O][C@][Branch2][Ring1][S][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=Branch2] |
C[S@@](=O)c1cccc(NC(=O)N2CCC(c3ncc4n3CCCC4)CC2)c1 | 279,022,544 | [C][S@@][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][Branch2] |
CC1(C)[C@@H](NC(=O)NCCS(=O)(=O)CC2CC2)C[C@H]1OCc1ccccc1 | 770,453,040 | [C][C][Branch1][C][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][Ring1][Ring1][C][C@H1][Ring2][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCc1sc(NC(=O)c2cc(C)c(C#N)cn2)c(C(N)=O)c1C | 839,302,597 | [C][C][C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][=Branch2][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Ring2][C] |
COCCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 | 1,750,072,099 | [C][O][C][C][O][C@@H1][C][C][N][Branch2][Ring2][Ring2][C][=N][N][=C][Branch1][Branch2][C@@H1][C][C][O][C][Ring1][Branch1][N][Ring1][#Branch2][C][C][Branch1][C][O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][#Branch2][C][Ring2][Ring1][#Branch2] |
Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C[C@@H](O)Cc2ccccc2)cc1 | 485,545,721 | [C][C][=C][C][=C][Branch2][Ring2][C][C@H1][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
C[C@@H](OC(=O)CCNc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 | 1,318,883,047 | [C][C@@H1][Branch1][P][O][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CC(=O)N(CCc1ccccc1)CC(=O)N1CC[C@H](COCc2ccccc2)C1 | 270,487,800 | [C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] |
C[C@@H](NCC1CC(Br)C1)c1cccc(OC(F)(F)F)c1 | 2,196,942,053 | [C][C@@H1][Branch1][N][N][C][C][C][C][Branch1][C][Br][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] |
C#CCCOc1ccc(CNC2CC2)cc1F | 232,429,199 | [C][#C][C][C][O][C][=C][C][=C][Branch1][Branch2][C][N][C][C][C][Ring1][Ring1][C][=C][Ring1][O][F] |
CCN(c1nnc(Cn2nc(C)cc2C)n1CCCC(=O)NC1CC1)C1CC1 | 1,547,384,380 | [C][C][N][Branch2][Ring2][Ring1][C][=N][N][=C][Branch1][=N][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][Ring1][=N][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1] |
COc1ccc(OC)c(NC(=O)C[C@@H](C)NCCNS(=O)(=O)NC(C)C)c1 | 429,422,826 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch2] |
CC(=O)Nc1ccc(N2C[C@H](C(=O)N3C[C@@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2=O)cc1 | 1,873,004,801 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][C@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N][C][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][N] |
Cc1sc(CNC(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)nc1-c1ccc(Cl)cc1 | 509,238,562 | [C][C][S][C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C][N][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring1][N][C][Branch1][C][F][Branch1][C][F][F][=N][C][=Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
COCC(C)(C)c1noc(-c2cn(-c3ccccc3Br)nn2)n1 | 896,583,646 | [C][O][C][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][=N][Ring1][N][=N][Ring1][P] |
CC(C)(C#N)COC(=O)C(C)(C)C(=O)O | 1,588,607,357 | [C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O] |
COc1ccc(-c2noc([C@@H](C)OC(=O)CCNc3ccccc3[N+](=O)[O-])n2)cc1 | 782,269,263 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=N][O][C][Branch2][Ring1][#Branch2][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CC1CCN(CCn2c(CC(C)(C)C)nnc2N2CC[C@@]3(CCOC3)C2)CC1 | 1,305,110,877 | [C][C][C][C][N][Branch2][Ring2][Ring2][C][C][N][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][#Branch2][N][C][C][C@@][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][=Branch2][C][C][Ring2][Ring1][O] |
CC1CCC(Oc2cc(CNC(=O)C(=O)Nc3ccn(C(C)C)n3)ccn2)CC1 | 483,937,055 | [C][C][C][C][C][Branch2][Ring2][#Branch1][O][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][N][=Ring1][Branch2][=C][C][=N][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][N] |
CC(C)(C)OC(=O)N1CC(NC(=O)Cc2ccc(O)c(Br)c2)(C(N)=O)C1 | 2,118,160,903 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][Branch2][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring2][Ring1][Ring1] |
COCCN(C(=O)C(=O)Nc1cccc2c1oc(=O)n2C)[C@H](C)c1ccccc1 | 269,931,466 | [C][O][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
N#CC1(CNS(=O)(=O)CC2CCC2)CC1 | 562,374,572 | [N][#C][C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Ring1][Ring2][C][C][Ring1][=N] |
CC(C)(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 | 1,553,343,866 | [C][C][Branch1][C][C][Branch1][C][C][C][N][C][Branch1][=Branch2][C@@H1][C][O][C][C][O][Ring1][=Branch1][=N][N][=C][Ring1][O][N][C][C@@H1][C][C@][Ring1][Ring1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] |
COc1ccc(C(=O)N[C@@H](C(=O)O)c2ccc(Br)cc2)nc1Cl | 1,599,481,622 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][Ring2][Cl] |
C[C@@H]1CCC[C@H](N(C)c2nnc(CC3CC3)n2Cc2ccc(-c3nn[nH]n3)o2)C1 | 1,603,888,158 | [C][C@@H1][C][C][C][C@H1][Branch2][Ring2][Branch1][N][Branch1][C][C][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][O][Ring1][#Branch2][C][Ring2][Ring1][N] |
CN[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2ccco2)C1 | 1,578,597,516 | [C][N][C@H1][C][C][C][N][Branch2][Ring2][Ring2][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][N][Ring1][N][C][C@][Branch1][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][O] |
CCN(CCS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1CC1(O)CCCC1 | 1,547,603,163 | [C][C][N][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][N][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][N][Ring1][N][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1] |
CCc1ccccc1N1C[C@H](C(=O)N[C@H](C)c2ccc(OC)cc2OC)CC1=O | 105,862,982 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C@H1][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][C][Ring2][Ring1][Ring2][=O] |
CCc1c(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cnn1-c1ccccn1 | 72,072,651 | [C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C@@H1][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=N][N][Ring2][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 | 2,255,619,125 | [C][O][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2] |
COc1cc(C(=O)N2CC3(CCCN3C(=O)C3(F)CC3)C2)c(F)c(OC)c1F | 1,845,894,321 | [C][O][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][F][C][C][Ring1][Ring2][C][Ring1][=C][=C][Branch1][C][F][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][F] |
Cc1[nH]nc(C(=O)NC[C@@H](CN(C)C)c2ccc(Cl)cc2)c1Br | 846,132,092 | [C][C][NH1][N][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][Branch1][Br] |
COc1cccc([C@@H](O)CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1 | 1,566,338,277 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch2] |
N#Cc1ccc(CC(=O)N2CCC[C@H](C(=O)c3cccnc3)C2)cc1 | 1,849,139,384 | [N][#C][C][=C][C][=C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] |
O=C(O)c1cc(Cl)cc(S(=O)(=O)N2CCS[C@H]3COCC[C@@H]32)c1F | 1,608,846,313 | [O][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][S][C@H1][C][O][C][C][C@@H1][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][F] |
CCO[P@](C)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 | 40,893,219 | [C][C][O][P@][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][O][N][C][=C][Ring2][Ring1][Branch1] |
C#C[C@@H](NC(=O)c1c[nH]c2cc(F)c(F)cc2c1=O)c1ccccc1 | 1,643,574,248 | [C][#C][C@@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][Ring1][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C)o3)n2CC2CC2)CC1 | 612,601,192 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][N][Ring1][O][C][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch1] |
Cc1ccccc1C1(CNS(=O)(=O)c2c(F)cc(F)cc2F)CCOCC1 | 57,022,926 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][C][C][O][C][C][Ring2][Ring1][Ring2] |
CC(C)N(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cccc(F)c1F)C2 | 1,803,301,721 | [C][C][Branch1][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][Ring2][Ring1][Ring1] |
O=C1CCc2cc(S(=O)(=O)Nc3nnc(CC(F)(F)F)s3)ccc2N1 | 1,116,290,806 | [O][=C][C][C][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][Branch2] |
C[C@@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)C1(N2CCOCC2)CCCC1 | 1,210,793,727 | [C][C@@H1][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][Ring1][O] |
N#C[C@@H]1CCCN(C(=O)NCC2=CCCOC2)C1 | 922,490,558 | [N][#C][C@@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][C][O][C][Ring1][=Branch1][C][Ring1][S] |
O=C(CN1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)N1CCc2ccccc21 | 580,679,184 | [O][=C][Branch2][Ring1][#Branch2][C][N][C][C@@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][=N][C][Ring1][S][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 | 1,556,939,219 | [C][C][Branch1][C][C][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][O][C@@H1][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][S] |
C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)CCCS1 | 567,016,599 | [C][C@@][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N][C][C][C][S][Ring2][Ring1][=Branch2] |
C=C(COCC)[C@H](NC)[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 | 2,243,009,702 | [C][=C][Branch1][Branch1][C][O][C][C][C@H1][Branch1][Ring1][N][C][C@][Branch1][C][F][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C] |
C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 | 279,353,481 | [C][C@@H1][O][C][C][C@@][Ring1][Branch1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][C][Ring1][=Branch2][=C][Ring1][=N] |
CCOCCC1(CNC(=O)C(=O)N[C@@H](COC)c2ccc(Cl)cc2)CC1 | 288,774,241 | [C][C][O][C][C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1] |
C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCc2ccsc2)CC1 | 1,749,000,191 | [C][#C][C][N][C][C][N][Branch2][Ring1][#C][C][=N][N][=C][Branch1][=N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][Ring1][#C][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring2][Ring1][N] |
CCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]3C2)n1 | 1,790,634,256 | [C][C][N][C][=C][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C@H1][C][O][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][N] |
O=C(NC[C@H]1CCN(C(=O)C2CCC(F)(F)CC2)[C@H]1c1cccnc1)c1csc2c1CCCC2 | 1,809,781,183 | [O][=C][Branch2][Ring2][#Branch1][N][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C@H1][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] |
COc1ccc([C@@H]2[C@@H](C(=O)NCCS(=O)(=O)CC(F)(F)F)CCC(=O)N2C)cc1 | 1,437,454,503 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C@@H1][C@@H1][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][C][=C][Ring2][Ring1][O] |
CN1CCN(CC(=O)N2CC[C@H](CNC(=O)C(=O)C3CC3)[C@H]2c2cccnc2)CC1 | 1,803,059,389 | [C][N][C][C][N][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C@H1][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=N] |
C[Si](C)(C)C#CCCCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCCSC3)CC2)CC1 | 1,838,390,634 | [C][Si][Branch1][C][C][Branch1][C][C][C][#C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C@H1][C][C][C][S][C][Ring1][=Branch1][C][C][Ring1][=C][C][C][Ring2][Ring1][Branch1] |
CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)N(CC(C)C)C1CCCC1)CC2 | 1,348,162,308 | [C][C][O][C@H1][C][C@@H1][Branch1][C][O][C][Ring1][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][Ring2] |
C[C@@H]1CCN(CC[S@](=O)c2ccccc2)[C@H](CNC(=O)OC(C)(C)C)C1 | 852,599,208 | [C][C@@H1][C][C][N][Branch1][#C][C][C][S@][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch2] |
CN(Cc1cccc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 | 1,768,668,987 | [C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][N][Ring1][N][C][C][Branch1][=Branch1][S@][Branch1][C][C][=O][C][C][Ring1][=Branch1] |
C=CCC1(C(=O)N2CC[C@](C)(CNC(=O)c3ccc[nH]3)C2)CCC1 | 1,586,052,914 | [C][=C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][#C][C][C][C][Ring2][Ring1][Branch1] |
C[C@@H](NC(=O)CCOc1ccc(C(N)=O)cc1)c1cccc(N2CCCC2)c1 | 155,187,131 | [C][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O] |
COc1cc(C)c(C)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)COc2cccc(Cl)c2)[nH]n1 | 1,821,339,363 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][#Branch2][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][NH1][N][=Ring2][Ring1][=Branch1] |
N#CCCCOc1ccc(CC#N)cc1 | 19,473,451 | [N][#C][C][C][C][O][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2] |
COc1cc(C)c([C@H](C)NC(=O)COC(=O)C=C2CCSCC2)cc1OC | 772,140,205 | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][C][S][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][O][C] |
COc1ccccc1[C@@H]1[C@@H](C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CCC(=O)N1c1ccc(C)cc1 | 750,863,089 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C@@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cc(NC(=O)[C@]4(F)CCCC=C4F)n[nH]3)cc2c1 | 1,823,585,956 | [C][C][=C][C][=C][NH1][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@][Branch1][C][F][C][C][C][C][=C][Ring1][#Branch1][F][=N][NH1][Ring1][S][=C][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P] |
COCC1CCN(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)CC1 | 112,354,457 | [C][O][C][C][C][C][N][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][C][Branch1][C][C][C][C][C][Ring2][Ring1][=Branch2] |
CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 | 607,869,870 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][C][C][C][C@H1][Ring1][Branch1][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] |
COc1cc(OC)cc(N2C[C@@H](C(=O)Oc3cccc(C(=O)O)c3)CC2=O)c1 | 832,087,822 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][S][N][C][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][C][Ring1][P][=O][=C][Ring2][Ring1][#Branch2] |
C=CCC(C)(C)CNC(=O)N1C[C@@H](N)C[C@H]1C | 891,920,148 | [C][=C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][N][C][C@H1][Ring1][=Branch1][C] |
O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 | 110,016,679 | [O][=C][Branch2][Ring1][Branch2][C][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][N][C][C][C][C@H1][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][O][Ring1][N][C][Ring2][Ring1][C] |
N#Cc1cccc(NC2CN(C(=O)c3coc4cc(O)ccc34)C2)c1 | 1,454,246,323 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][Ring1][S][=C][Ring2][Ring1][#Branch1] |
Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](C)[C@H](O)c3ccccc3)c2)oc1C | 808,951,519 | [C][C][N][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][O][C][=Ring2][Ring1][O][C] |
CCN(CC)C1CCN(C(=O)C(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1 | 1,326,896,132 | [C][C][N][Branch1][Ring1][C][C][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=N][C][C][Ring2][Ring1][#Branch1] |
C[C@H](NC(=O)N1CCN(c2ncnc3sccc23)CC1)C1CCN(C)CC1 | 606,701,395 | [C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
CC(=O)CCc1ccc(OCCC(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)cc1 | 608,606,834 | [C][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O][C][=C][Ring2][Ring1][=Branch1] |
COC[C@@H](NC(=O)C(=O)N[C@@H]1CCCC12CCOCC2)c1ccc(F)c(F)c1 | 289,094,762 | [C][O][C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][Ring1][Branch1][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
CCN(C)[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 | 1,782,614,796 | [C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@][Branch2][Ring1][=C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][C][O][Ring1][P][C][Ring2][Ring1][Branch1] |
CCn1c([C@@H](C)c2c(C)n[nH]c2C)nnc1N1CCc2ccc(OC)cc2C1 | 1,356,407,082 | [C][C][N][C][Branch1][S][C@@H1][Branch1][C][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][=N][N][=C][Ring1][=C][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N] |
O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCC[C@@H](c2ncc[nH]2)C1 | 589,955,257 | [O][=C][Branch2][Ring1][=Branch2][C][=C][N][=C][C][Branch1][#C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][N][C][C][C][C@@H1][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][C][Ring1][O] |
O=C(c1cncnc1C1CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 | 1,544,543,426 | [O][=C][Branch1][=C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][=C][Branch1][C][Br][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][Ring1][=C] |
C[C@@](CO)(NC(=O)COCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O | 757,299,433 | [C][C@@][Branch1][Ring1][C][O][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][O][C][C][N][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][O] |
O=S(=O)(Nc1cc(-c2cccnc2)on1)c1ccc(Br)cc1 | 373,603,111 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][N][=Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |