smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
O=C(NC[C@H]1CCN(C(=O)c2ccc(-c3cccnc3)cc2)[C@@H]1c1cccnc1)c1c(F)cccc1F | 1,811,695,378 | [O][=C][Branch2][Ring2][N][N][C][C@H1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][N][C@@H1][Ring2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] |
COCC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCOC[C@@H]2C)CC1 | 1,300,881,846 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][Ring1][N][C][C@H1][C][C][O][C][C@@H1][Ring1][=Branch1][C][C][C][Ring2][Ring1][#Branch2] |
O=C1CNC(=O)c2ccc(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)cc2N1 | 432,415,541 | [O][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@@][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][S][C][Ring1][O][C][=C][Ring2][Ring1][Branch1][N][Ring2][Ring1][O] |
CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@H](C)OC)C[C@H]1C | 1,695,817,707 | [C][C][N][C][C@H1][Branch1][C][C][N][Branch2][Ring1][O][C][=N][N][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=N][C][C@H1][Branch1][C][C][O][C][C][C@H1][Ring2][Ring1][=Branch2][C] |
Cc1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c(C)c1 | 616,810,781 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2] |
O=C(C[C@H]1NC(=O)c2ccccc21)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 | 853,959,043 | [O][=C][Branch2][Ring1][C][C][C@H1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][N] |
C[C@H](Oc1cccc(OS(=O)(=O)c2cc(Cl)sc2Cl)c1)C(N)=O | 758,461,612 | [C][C@H1][Branch2][Ring1][S][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][S][C][=Ring1][=Branch1][Cl][=C][Ring1][P][C][Branch1][C][N][=O] |
Cc1cc(N2CCN(C(=O)CO)CC2)c2cc(Br)cc(F)c2n1 | 535,049,154 | [C][C][=C][C][Branch1][P][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][Ring1][#Branch2][=C][C][=C][Branch1][C][Br][C][=C][Branch1][C][F][C][Ring1][Branch2][=N][Ring2][Ring1][=Branch1] |
Cc1ccc(C[C@H](C)NC(=O)C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)s1 | 506,104,405 | [C][C][=C][C][=C][Branch2][Ring1][P][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][=Branch2] |
O=C(CNC(=O)c1cc(F)ccc1B(O)O)NCc1ccccc1 | 2,247,871,263 | [O][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][B][Branch1][C][O][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC[C@H]1Oc2cc([C@H](C)NCC(=O)NCCc3ccccc3C)ccc2NC1=O | 180,025,833 | [C][C][C@H1][O][C][=C][C][Branch2][Ring1][#Branch1][C@H1][Branch1][C][C][N][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][=Branch1][N][C][Ring2][Ring1][#Branch2][=O] |
Cc1c(NC(=O)NCC(=O)N(C)Cc2ccccc2)cnn1-c1ccccc1F | 157,521,743 | [C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
COCCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)O)C[C@@H]1C | 1,519,205,240 | [C][O][C][C][N][C][C][N][Branch2][Ring2][Ring1][C][=N][N][=C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][Ring1][#C][C][C][Branch1][C][C][Branch1][C][C][O][C][C@@H1][Ring2][Ring1][#Branch2][C] |
CSC1(CNC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CCC1 | 280,108,714 | [C][S][C][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C@H1][C][C][C][O][Ring1][Branch1][C][Ring1][=N][=O][C][C][C][Ring2][Ring1][=Branch2] |
NC(=O)[C@@H]1CCCN(Cc2ccc(NCc3cc(-c4nn[nH]n4)cs3)cc2)C1 | 822,858,337 | [N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Branch2][Ring1][S][C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][S][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2] |
CCN(Cc1c(C)nn(CCS(C)(=O)=O)c1C)[C@@H](C)c1cccc(OC)c1 | 281,386,426 | [C][C][N][Branch2][Ring1][=Branch2][C][C][C][Branch1][C][C][=N][N][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Ring1][N][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] |
C[C@@H](N=c1cc(C(=O)NC2CC2)c2ccccc2[nH]1)c1ccc2nc(O)[nH]c2c1 | 613,535,082 | [C][C@@H1][Branch2][Ring1][N][N][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][S][C][=C][C][=C][N][=C][Branch1][C][O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
COc1ncc(Cl)c(N(C)CCC#N)n1 | 157,748,909 | [C][O][C][=N][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][N][Branch1][C][C][C][C][C][#N][=N][Ring1][=N] |
CS(=O)(=O)c1ccccc1CCNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 | 1,666,012,675 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2] |
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCO[C@]3(CCSC3)C2)(S(C)(=O)=O)CC1 | 1,130,219,965 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C@][Branch1][#Branch1][C][C][S][C][Ring1][Branch1][C][Ring1][#Branch2][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring2][Ring1][=Branch1] |
CCSCC[C@H](C)N(C)C(=O)C(=O)Nc1nc(C)c(C(F)(F)F)s1 | 564,678,906 | [C][C][S][C][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][#Branch2] |
Cc1cc(C(=O)NCc2cccc(OCCN(C)C)c2)nn1-c1ccc(F)cc1 | 180,244,045 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][=C][Ring1][N][=N][N][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
C[C@@H]1CC[C@@H]2O[C@@H](C(=O)O)C[C@@H]2N1C(=O)c1cc(Cl)cc(Cl)c1F | 1,594,337,687 | [C][C@@H1][C][C][C@@H1][O][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][Branch2][N][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][F] |
CC(=O)Nc1cccc(NC(=O)NCc2cc(OCC(F)F)ccn2)c1C | 1,319,884,141 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=C][C][=N][Ring1][O][=C][Ring2][Ring1][=Branch1][C] |
COc1cncc(CCC(=O)N2CC[C@H](CNC(=O)CCCCCC(C)(C)C)[C@H]2c2cccnc2)c1 | 1,812,806,031 | [C][O][C][=C][N][=C][C][Branch2][Ring2][=N][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring2][Ring1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring2][C] |
O=C(Nc1ccc2c(c1)C(=O)OC2)C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 | 808,919,706 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] |
CCOC(=O)NCCCC(=O)Nc1cc(CN2CCSCC2)ccc1C | 269,742,252 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch2][C][N][C][C][S][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=N][C] |
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1C(N)=O | 549,389,851 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@H1][C][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C@@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][Branch2][C][Branch1][C][N][=O] |
C[C@H](Sc1ncccc1C(=O)NCC1=CCCOC1)C(=O)N1CCCC1 | 289,098,497 | [C][C@H1][Branch2][Ring1][Branch2][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][C][O][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] |
Cn1nc(Br)nc1[C@H](N)[C@@]1(O)CN(C(=O)OC(C)(C)C)C2(CCOCC2)C1 | 2,173,165,092 | [C][N][N][=C][Branch1][C][Br][N][=C][Ring1][=Branch1][C@H1][Branch1][C][N][C@@][Branch1][C][O][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][C] |
C=CCn1cc2ccc(NC(=O)N3CC[C@](C)(C(=O)OC)C3)cc2n1 | 933,682,021 | [C][=C][C][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][#Branch2][=C][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][=Branch1] |
CC(C)OCCCn1c(NNC(=O)C2(C)CCCCCC2)nc2ccccc2c1=O | 781,336,756 | [C][C][Branch1][C][C][O][C][C][C][N][C][Branch2][Ring1][Ring1][N][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] |
COc1ccc([C@H](NC(C)C)C(=O)NC[C@H](n2cncn2)C(F)(F)F)cc1 | 899,158,217 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=Branch2] |
CO[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)C1 | 267,791,406 | [C][O][C@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][Ring1][S] |
C[C@@H](NC(=O)NCCc1ccc2c(c1)CCO2)c1nnnn1-c1ccccc1 | 172,073,567 | [C][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CS[C@@H](C)CNC(=O)C(=O)N1CCN(Cc2cccc3ccccc23)CC1 | 567,538,165 | [C][S][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][P] |
Cc1cc(C(=O)O[C@H](c2ncccn2)C2CCCC2)ccc1N1CCNC1=O | 761,394,497 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C@H1][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Branch1][N][C][C][N][C][Ring1][Branch1][=O] |
COc1ccc([C@H](O)CNC(=O)NCCc2ccccc2Br)cc1 | 145,333,445 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][Ring2][Ring1][=Branch1] |
CCO[C@@H](CC)c1nnc(N2CCO[C@@H](C(F)F)C2)n1CCc1ccccc1 | 1,341,566,078 | [C][C][O][C@@H1][Branch1][Ring1][C][C][C][=N][N][=C][Branch1][S][N][C][C][O][C@@H1][Branch1][=Branch1][C][Branch1][C][F][F][C][Ring1][=Branch2][N][Ring1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1ccc(NC(=O)CN[C@H](C)c2cccc(-c3nn[nH]n3)c2)cc1OC | 826,209,590 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][C@H1][Branch1][C][C][C][=C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C] |
C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(C(N)=O)CCOCC2)C1 | 1,359,316,358 | [C][=C][C][O][C@@H1][C][C][N][Branch2][Ring2][Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][O][C][C][Ring1][=Branch2][C][Ring2][Ring1][O] |
C#C[C@H](NCCC)[C@H](C)C(C)C | 130,067,773 | [C][#C][C@H1][Branch1][Branch1][N][C][C][C][C@H1][Branch1][C][C][C][Branch1][C][C][C] |
COc1ccc(-c2nc(C(=O)N3C[C@H](OC)C[C@H]3C(=O)O)cs2)cc1OC | 540,784,172 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][O][C][C][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][O][=C][S][Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][C] |
CCOC(=O)c1nc(N)nc(N2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)n1 | 1,648,279,241 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][=Branch2] |
Cc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3-n3ccnn3)cc2)co1 | 172,204,424 | [C][C][=N][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1][=C][O][Ring2][Ring1][#Branch2] |
Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](CO)C2)cc1OCC1CCOCC1 | 621,430,097 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C][C][C][C][O][C][C][Ring1][=Branch1] |
CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)Nc1cnn(CCF)c1 | 1,166,912,653 | [C][C][C][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][Ring2][C][C][F][C][=Ring1][Branch2] |
O=C(NC1CCN(C[C@H]2CCCO2)CC1)C(=O)N1CCC(C2CCCC2)CC1 | 1,323,079,482 | [O][=C][Branch2][Ring1][Ring2][N][C][C][C][N][Branch1][=Branch2][C][C@H1][C][C][C][O][Ring1][Branch1][C][C][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][O] |
Cc1cc([C@@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C2CC2)ccc1F | 853,917,902 | [C][C][=C][C][Branch2][Ring1][P][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][C][C][Ring1][N][C][C][C][Ring1][Ring1][=C][C][=C][Ring2][Ring1][=Branch2][F] |
COc1nc(C)cc(C)c1CS(=O)(=O)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] | 287,490,589 | [C][O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1] |
COc1ccc(Br)c(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1 | 522,207,562 | [C][O][C][=C][C][=C][Branch1][C][Br][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][=C][Ring2][Ring1][=Branch2] |
C#CCOc1ccc(CNC(=O)[C@@H](O)c2ccc(Cl)cc2)cc1 | 1,636,915,557 | [C][#C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] |
O=C(c1cccc(S(=O)(=O)C(F)F)c1)N1CCC[C@H](OC2CCC2)CC1 | 871,321,821 | [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][F][=C][Ring1][N][N][C][C][C][C@H1][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N] |
C#CCCCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1oc(C)cc1C)CC2 | 1,747,884,705 | [C][#C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=C][C][=Ring1][=Branch1][C][C][C][Ring1][P] |
O=C(OCc1ccccc1OC[C@H]1CCCO1)c1cccc(Cn2cncn2)c1 | 860,581,796 | [O][=C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@H1][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][N] |
CN(C)c1cccc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 | 1,844,907,465 | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][NH1][C][=N][C][Ring1][Branch1][=N][Ring1][#Branch2][C][Ring1][S][=C][Ring2][Ring1][N] |
C[C@@H]1CCCN(C(=O)c2csc3cncn23)[C@@H]1CNC(=O)OC(C)(C)C | 747,895,857 | [C][C@@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][S][C][=C][N][=C][N][Ring1][Branch2][Ring1][Branch1][C@@H1][Ring1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CC[C@@H]1CN(C)CCCN1C(=O)c1cc(-c2c(C)nn([C@H](C)CC)c2C)[nH]n1 | 1,635,523,035 | [C][C][C@@H1][C][N][Branch1][C][C][C][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring2][C][C][Branch1][C][C][=N][N][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][C][=Ring1][#Branch2][C][NH1][N][=Ring1][S] |
CC(=O)CCCCCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C | 867,441,798 | [C][C][=Branch1][C][=O][C][C][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][C] |
CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCCc2cc(C(F)(F)F)ccn2)C1 | 294,610,978 | [C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2][C][Ring2][Ring1][Branch1] |
COC(=O)C[C@@H](CCCCCCCCCCC[C@@H](CCCCC[C@H](C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O | 253,532,082 | [C][O][C][=Branch1][C][=O][C][C@@H1][Branch2][Branch1][P][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch2][Ring1][=C][C][C][C][C][C][C@H1][Branch1][C][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][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][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] |
Cc1cccc(COc2cccc(NC(=O)C(=O)NCC3(O)CCOCC3)c2)c1 | 265,526,796 | [C][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][O][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N] |
CCc1nc(C)c(C(=O)N2CCC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)s1 | 951,332,692 | [C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Ring2][N][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][P][S][Ring2][Ring1][=Branch2] |
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc(F)c2)NC(=O)N1Cc1cccs1 | 16,495,520 | [C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C@@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][O][C][C][=C][C][=C][S][Ring1][Branch1] |
CC1(C)CC[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)N(C(=O)Cc2ccc[nH]2)C1 | 991,068,655 | [C][C][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][O][C@H1][Ring1][Branch1][C@H1][C][C@@H1][Ring1][=Branch1][Ring1][Ring1][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring2][Ring1][O] |
CCc1c(NC(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)cnn1CC(C)C | 677,469,703 | [C][C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][=C][C][Branch1][#Branch2][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][Ring1][N][C][C][=N][N][Ring2][Ring1][=Branch1][C][C][Branch1][C][C][C] |
COc1ccc2[nH]cc([N+](=O)[O-])c(=NCC3[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]34)c2c1 | 1,643,153,247 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch2][Ring1][N][=N][C][C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Ring1][=N][Ring1][N][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
C[S@](=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 | 1,620,179,555 | [C][S@][=Branch1][C][=O][C][Branch2][Ring2][=Branch1][C][N][C][Branch1][=Branch2][C@H1][C][C][C][O][C][Ring1][=Branch1][=N][N][=C][Ring1][O][N][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][O][C][C][Ring2][Ring1][#Branch2] |
COC(=O)[C@@H](NC(=O)CSCC1CCN(C(=O)C(C)(C)C)CC1)C(C)C | 571,101,185 | [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][S][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][C][Branch1][C][C][C] |
CCCCS(=O)(=O)N1CCC(c2nc(C(C)(C)c3ccncc3)no2)CC1 | 871,854,835 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][=C][C][C][Ring2][Ring1][Ring2] |
C[C@H](OC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)[C@H]1CCNC(=O)C1 | 1,345,588,920 | [C][C@H1][Branch2][Ring1][#C][O][C][=Branch1][C][=O][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1] |
CC(C)(NC(=O)NCCCN1C(=O)CNC1=O)c1ccc(C(F)(F)F)cc1 | 883,351,288 | [C][C][Branch1][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 | 1,348,146,931 | [C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch1][Ring1][C][#N][C][Ring1][Branch2][C][C][Ring2][Ring1][C] |
CC(C)(C)OC(=O)NCCCc1nnc(CCc2nc(-c3ccccc3)no2)o1 | 1,322,341,170 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][=N][N][=C][Branch2][Ring1][Ring2][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][O][Ring2][Ring1][C] |
Cc1ccc(C(=O)Nc2cccc(CNC(=O)C(=O)N[C@H]3CCSC3)c2)cc1 | 284,877,130 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][C][C][S][C][Ring1][Branch1][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O] |
C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)NC[C@H]1CCCN1C | 548,326,091 | [C][C@@H1][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][=C][Ring1][=N][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Ring1][Branch1][C] |
CCSc1ncccc1C(=O)N1CCC2(CCCN(C(=O)C(F)F)C2)CC1 | 1,809,137,695 | [C][C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][F][F][C][Ring1][O][C][C][Ring1][S] |
CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n[nH]1 | 471,505,942 | [C][C][C][C@H1][Branch1][C][C][C][=C][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=N][NH1][Ring2][Ring1][Ring1] |
C=CCN(C)CCC1CCN(C(=O)c2c(C3CC3)cnn2C)CC1 | 1,698,952,064 | [C][=C][C][N][Branch1][C][C][C][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][N][Ring1][Branch2][C][C][C][Ring1][P] |
CC#CCCCC(=O)NC[C@H]1CCCN1C(=O)CC1CC(F)(F)C1 | 1,581,288,403 | [C][C][#C][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1] |
Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 | 1,492,797,538 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][N][Ring2][Ring1][Ring1][C][C][C][N][C][C@@H1][Branch1][C][C][O][C@H1][Branch1][C][C][C][Ring1][Branch2] |
C=C(C)C[C@@H](C)C(=O)N(CC)CCC(=O)O | 192,855,696 | [C][=C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=Branch1][C][=O][O] |
CCOC(=O)c1nn(-c2ccccc2)cc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl | 302,923,758 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl] |
COC[C@@H](NC(=O)N(CCO)[C@H]1CCc2ccccc21)c1cccc(OC)c1 | 666,140,888 | [C][O][C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] |
Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)Nc1nnc(C2CCCCC2)s1 | 1,580,608,639 | [C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Branch1][C][O][N][=C][Ring1][N][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O] |
Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 | 1,642,502,992 | [C][C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][N] |
O=C1CC[C@H](c2nnc(N3CCN4CCOC[C@H]4C3)n2CCSCC(F)(F)F)N1 | 1,303,098,703 | [O][=C][C][C][C@H1][Branch2][Ring2][Ring2][C][=N][N][=C][Branch1][#C][N][C][C][N][C][C][O][C][C@H1][Ring1][=Branch1][C][Ring1][#Branch2][N][Ring1][#C][C][C][S][C][C][Branch1][C][F][Branch1][C][F][F][N][Ring2][Ring1][N] |
O=C(C[C@@H]1CCCCO1)N1CCC([C@H]2CCCCN2C(=O)c2ccc[nH]2)CC1 | 1,829,149,578 | [O][=C][Branch1][#Branch2][C][C@@H1][C][C][C][C][O][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][Ring2][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][C][Ring2][Ring1][Ring1] |
C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 | 22,498,341 | [C][C@H1][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][P] |
COc1ccc(NC(=O)C(=O)N2CCc3c(Br)cccc3C2)cn1 | 506,420,507 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O][C][=N][Ring2][Ring1][=Branch1] |
C[C@H](CO)CCCNC(=O)C(=O)N1CCC(Cc2cccc(F)c2F)CC1 | 1,325,588,738 | [C][C@H1][Branch1][Ring1][C][O][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][C][Ring1][#C] |
COCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CCCCC2)cs1 | 1,697,834,230 | [C][O][C][C][=N][C][Branch2][Ring2][=Branch1][C][N][C][Branch1][#C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][N][Branch1][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][=C][S][Ring2][Ring1][=C] |
C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)Cc1c(C)noc1Cl | 1,499,082,564 | [C][=C][C][C][C@@H1][Branch1][C][C][N][C][C][C@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][Cl] |
Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N(C)C[C@@H]1CCCOC1 | 176,011,185 | [C][C][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C][C][C][O][C][Ring1][=Branch1] |
CCCC#CC[C@@](C)(N)c1ncc(C)nc1C | 2,299,801,805 | [C][C][C][C][#C][C][C@@][Branch1][C][C][Branch1][C][N][C][=N][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C] |
CCOC(=O)c1ccc(CS(=O)(=O)NCc2cn3ccsc3n2)cc1 | 295,140,729 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] |
CCCC#C[C@H](OCCN)c1cccnc1C | 2,252,156,110 | [C][C][C][C][#C][C@H1][Branch1][Branch1][O][C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C] |
COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2sc(C)nc2C)cc1 | 1,649,677,335 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][C][=N][N][=C][Branch1][=N][N][C][C][O][C@H1][Branch1][Ring1][C][#N][C][Ring1][Branch2][N][Ring1][=N][C][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][=N] |
O=S1(=O)CCN(Cc2cc(Br)cc(F)c2F)[C@H]2CCOC[C@@H]21 | 515,851,905 | [O][=S][=Branch1][C][=O][C][C][N][Branch1][P][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][F][=C][Ring1][Branch2][F][C@H1][C][C][O][C][C@@H1][Ring1][=Branch1][Ring2][Ring1][Branch1] |
Cc1noc(-c2ccc(-c3nc(-c4cnn(C)c4Br)no3)cc2)n1 | 1,322,066,889 | [C][C][=N][O][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Br][=N][O][Ring1][N][C][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1] |