smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
CCCN1C[C@H](O)[C@H]([C@@]2(C#N)CCC23CCC3)C1 | 2,047,957,430 | [C][C][C][N][C][C@H1][Branch1][C][O][C@H1][Branch1][S][C@@][Branch1][Ring1][C][#N][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][#C] |
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1cnn(C2CCNCC2)c1 | 843,456,739 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][O] |
C[C@H]1CC[C@@H](C)N(c2nnc([C@H]3C[C@@H](N)C3)n2CCCCCN2CCCC2)C1 | 1,576,648,940 | [C][C@H1][C][C][C@@H1][Branch1][C][C][N][Branch2][Ring1][#C][C][=N][N][=C][Branch1][#Branch2][C@H1][C][C@@H1][Branch1][C][N][C][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][C][C][N][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][O] |
CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cn(-c2ccccc2)nc1C)c1ccccc1 | 726,678,429 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1ccc(Cc2nnc(NC(=O)c3ccc(-n4cnnc4)cc3)s2)cc1 | 108,348,611 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][O][S][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2] |
C#CCN(CCCNC(=O)C(C)(C)c1ccc(OC)cc1)C(C)C | 1,481,357,546 | [C][#C][C][N][Branch2][Ring1][N][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][C] |
CC(C)[C@@H](CNC(=O)c1ccc(I)c(Cl)c1)C(=O)O | 232,376,352 | [C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][I][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][O] |
CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H]3CCCN3C3CCCC3)ccc2NC1=O | 533,373,839 | [C][C][C@@H1][O][C][=C][C][Branch2][Ring1][Branch2][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Branch1][N][C][Ring2][Ring1][=Branch2][=O] |
C=C(Cl)CNCCC1CCN(C(=O)CCN2CCCCC2)CC1 | 1,482,007,728 | [C][=C][Branch1][C][Cl][C][N][C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][S] |
COCCCN(C(=O)C(=O)NC[C@H](OC)C(C)C)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 | 576,853,507 | [C][O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][O][C][C][Branch1][C][C][C][C@@H1][C][C@H1][C][C@H1][Ring1][Branch1][C@@H1][C][C][C][C@@H1][Ring1][Branch2][Ring1][Branch1] |
C[C@@H](NCc1ccc(C#N)cc1F)c1ccc2c(c1)OCC(=O)N2 | 586,790,011 | [C][C@@H1][Branch1][S][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2] |
C=CC[C@H](C)OC(=O)[C@H](C(C)C)N(C)C | 860,899,078 | [C][=C][C][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][Branch1][C][C][C] |
C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccco1 | 527,659,147 | [C][C@H1][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] |
COc1ccc(NC(=O)COC(=O)C2CC(OCc3ccccc3)C2)c(OC)c1 | 747,050,282 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O] |
C[C@@H](CCC(C)(C)C)NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 | 559,398,754 | [C][C@@H1][Branch1][O][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N] |
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CSc2ccccc2)c1 | 7,979,837 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] |
CCn1ccc(C(=O)NCC2(NCc3cccc(C#N)c3)CC2)c1C | 1,423,247,858 | [C][C][N][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][#C][N][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1][C] |
O=C(CCn1cncn1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1)CCO2 | 1,838,912,858 | [O][=C][Branch1][#Branch2][C][C][N][C][=N][C][=N][Ring1][Branch1][N][C][C][O][C][C@][Branch1][Ring2][C][Ring1][#Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][O][Ring1][S] |
O=C(Nc1ccc2c(c1)CCCO2)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 | 484,237,061 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CNC(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1Cl | 128,890,759 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=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][=C][Ring2][Ring1][Branch1][Cl] |
COc1ccc([C@]2(C(=O)N[C@@H]3COC4(C3)CN(C(=O)OC(C)(C)C)C4)C[C@H](O)C2)cc1 | 1,641,248,720 | [C][O][C][=C][C][=C][Branch2][Ring2][S][C@][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@@H1][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][C][C@H1][Branch1][C][O][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
Cc1cnccc1OC1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 | 579,650,812 | [C][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch2][Ring1][#Branch2][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Cl][C][C][Ring2][Ring1][Branch1] |
CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 | 1,728,037,735 | [C][C][C][C][N][Branch1][C][C][C][C][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][=N][N][=C][Ring1][#C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1] |
CC(=O)Nc1cc(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CCC3)c(F)cc1F | 921,158,544 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][/C][=Branch1][=Branch2][=C][/C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring2][Ring1][Ring1][=C][Branch1][C][F][C][=C][Ring2][Ring1][=C][F] |
COC(=O)c1cc(S(=O)(=O)N[C@H](c2ccc(C)cc2)c2ccccn2)on1 | 1,622,100,905 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][O][N][=Ring2][Ring1][#Branch1] |
O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1cccnc1Br | 160,958,063 | [O][=C][Branch2][Ring1][Branch2][O][C][C][=N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Br] |
CCC1(CNC(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCOCC1 | 745,797,595 | [C][C][C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][C][C][O][C][C][Ring2][Ring1][=Branch2] |
CC(C)[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)NCc1ccccc1F | 639,398,329 | [C][C][Branch1][C][C][C@@H1][Branch2][Ring1][O][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CCN1C(=O)C[C@H](CNC(=O)c2c(F)ccc(O)c2F)[C@H]1c1cccnc1 | 649,198,865 | [C][C][N][C][=Branch1][C][=O][C][C@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][F][C@H1][Ring2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1 | 1,293,916,595 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][C][Ring2][Ring1][Branch2] |
CC(=O)Nc1ccc(CCNC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 | 103,568,050 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch2] |
CCN(C)C(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 | 1,295,073,943 | [C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Ring1][=N][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][Ring1][O] |
Cc1[nH]ccc1C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 | 372,378,976 | [C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=O][C][Ring2][Ring1][Ring2] |
CC#CCNC(=O)[C@@H](C)N(C)CC(F)(F)F | 281,316,268 | [C][C][#C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)OCc1nc([C@@H](C)NC(=O)N[C@H](C)CCc2ccc(O)cc2)no1 | 290,727,830 | [C][C][Branch1][C][C][O][C][C][=N][C][Branch2][Ring1][N][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][=Branch1] |
CN(CCN[C@H]1CCCCC[C@H]1C#N)C1CC1 | 249,997,662 | [C][N][Branch1][#C][C][C][N][C@H1][C][C][C][C][C][C@H1][Ring1][#Branch1][C][#N][C][C][C][Ring1][Ring1] |
COc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2C[C@@](C)(OC)C2(C)C)cc1OC | 447,861,966 | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C][Ring1][#Branch1][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1][O][C] |
CCOCc1nnc(N2CCC[C@H](N3CCCC3)C2)n1C[C@@H](OC)C1CC1 | 1,729,045,853 | [C][C][O][C][C][=N][N][=C][Branch2][Ring1][C][N][C][C][C][C@H1][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Ring1][O][N][Ring1][S][C][C@@H1][Branch1][Ring1][O][C][C][C][C][Ring1][Ring1] |
O=C(c1ccccc1Oc1cccc(Br)c1)N1CCOC[C@H](O)C1 | 452,880,489 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][C][O][C][C@H1][Branch1][C][O][C][Ring1][Branch2] |
COc1ccc([C@@H]2C[C@H]2C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCOC3)C2)cc1 | 1,846,688,312 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][O][C][Ring1][Branch1][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch2] |
CC(=O)N[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C(O)O)CCO2)C1)c1ccc(F)cc1 | 1,780,911,641 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@@][Branch2][Ring1][Ring1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][O][O][C][C][O][Ring1][O][C][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)C(=O)NC[C@H]1CCC(F)(F)C1 | 285,964,081 | [O][=C][Branch2][Ring1][=Branch1][N][C][C@@H1][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][=Branch1][C][=O][N][C][C@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1] |
O=C(NC[C@H]1CCN(C(=O)c2ccco2)[C@H]1c1cccnc1)c1ncccn1 | 1,805,774,396 | [O][=C][Branch2][Ring1][#C][N][C][C@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C@H1][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1] |
COC(=O)[C@@]1(c2ccccc2)CCN(Cc2noc(Cc3ccccc3C)n2)C1 | 428,781,696 | [C][O][C][=Branch1][C][=O][C@@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Branch1][C][C][=N][O][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][=N][C][Ring2][Ring1][=Branch2] |
C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ncn(-c2ccccc2)n1 | 1,360,492,439 | [C][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][Branch1][C][C][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][N][C][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O] |
N#Cc1ccc(C(=O)N2CCCC[C@@H]2CF)o1 | 1,970,451,082 | [N][#C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][F][O][Ring1][#C] |
Cc1n[nH]c(C)c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C(F)F)CCC1 | 1,002,581,203 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][C][Ring1][#Branch1] |
COc1ccc([C@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C=CCN2)C3)cc1 | 1,792,716,277 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@@H1][C@H1][C][O][C][C@@H1][Ring1][=Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C@@H1][C][=C][C][N][Ring1][Branch1][C][Ring1][#C][C][=C][Ring2][Ring1][O] |
CC(C)Cc1nnc(N(C)C[C@@H]2CCCCO2)n1CCc1cn2ccccc2n1 | 1,741,436,926 | [C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][=C][N][Branch1][C][C][C][C@@H1][C][C][C][C][O][Ring1][=Branch1][N][Ring1][=C][C][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2] |
C#C[C@@H](NC(=O)c1cc(C(=O)OCC)c(C)[nH]1)c1ccc(F)cc1 | 1,596,936,634 | [C][#C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][NH1][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
O=C(c1cccc(F)c1F)N1CCC([C@H]2CCCCN2C(=O)c2cccc3ccoc23)CC1 | 1,830,991,181 | [O][=C][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][N][C][C][C][Branch2][Ring1][#Branch2][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][C][=C][O][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring2][Ring1][#Branch1] |
O=C(CBr)c1c(S)ccc(OC(F)F)c1C(F)(F)F | 2,060,315,323 | [O][=C][Branch1][Ring1][C][Br][C][=C][Branch1][C][S][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][O][C][Branch1][C][F][Branch1][C][F][F] |
CC[C@@H]1CCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 | 1,609,201,064 | [C][C][C@@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch2][C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][C][Ring2][Ring1][Branch1] |
CC(C)[C@H](N)CCN(C)C(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl | 423,090,942 | [C][C][Branch1][C][C][C@H1][Branch1][C][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CCC[C@H](C)N1C[C@H](C(=O)N[C@H](C(=O)OC)c2cccc3ccccc23)CC1=O | 1,155,490,954 | [C][C][C][C@H1][Branch1][C][C][N][C][C@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1][=O] |
Cc1cc(CNC(=O)c2ccc(Oc3ccc(-c4nn[nH]n4)cc3C)cc2)no1 | 822,201,093 | [C][C][=C][C][Branch2][Ring2][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][C][C][=C][Ring2][Ring1][Ring1][=N][O][Ring2][Ring1][N] |
O=C(/C=N/N1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3)no2)CC1 | 1,829,289,804 | [O][=C][Branch1][O][/C][=N][/N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][=C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][C][Ring2][Ring1][=Branch2] |
C[C@H]1CN(c2nnc(C3(O)CC3)n2C[C@@H]2CCCCO2)CC2(CCCC2)O1 | 1,263,594,721 | [C][C@H1][C][N][Branch2][Ring1][O][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][O][C][C][Ring1][Ring2][N][Ring1][=Branch2][C][C@@H1][C][C][C][C][O][Ring1][=Branch1][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][Ring2][Ring1][#Branch2] |
CCCC(=O)Nc1cccc(CNC(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)c1 | 915,773,414 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C@H1][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][=C][Ring2][Ring1][N] |
COc1ccc(CCNC(=O)c2ccc(CNC(N)=O)cc2)cc1S(N)(=O)=O | 539,906,269 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][N][C][Branch1][C][N][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O] |
CS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCCC2)C1 | 1,771,356,603 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][Branch1][O][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=N][N][=C][Ring1][O][N][C][C][C@@H1][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O] |
C[C@H](NC(=O)[C@@H](C)OC1CCCCC1)c1ccc(OCC(=O)NC2CC2)cc1 | 1,318,605,638 | [C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][O][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][=C] |
C=C[C@@H](C)NC(=O)CCc1cncn1C | 339,167,802 | [C][=C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=C][N][=C][N][Ring1][Branch1][C] |
C=CCC1(C(=O)N(C)[C@@H](C)CNC(=O)c2ccnc(F)c2)CCC1 | 1,678,101,018 | [C][=C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][Branch1] |
Cc1cccc(N(C)c2nnc(-c3cnccn3)n2C[C@H]2CCC[C@H](O)C2)c1 | 1,611,965,409 | [C][C][=C][C][=C][C][Branch2][Ring2][C][N][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][C@H1][C][C][C][C@H1][Branch1][C][O][C][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CC(C)OCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(O)nc2)CC1 | 1,823,866,244 | [C][C][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1][C][C][Ring1][#C] |
Cc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1Br | 588,242,600 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring1][N][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O][Br] |
CC(=O)Nc1cncc(-c2nnc(N3CC[C@@H]4C[C@@H]4C3)n2Cc2ccccc2)c1 | 1,263,166,452 | [C][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch2][Ring1][=C][C][=N][N][=C][Branch1][N][N][C][C][C@@H1][C][C@@H1][Ring1][Ring1][C][Ring1][#Branch1][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2] |
C[C@H](NC(=O)N1CCN(C(=O)C2CC2)CC1)C(c1ccccc1)c1ccccc1 | 524,502,134 | [C][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
C[C@@H](Cc1ccccn1)C(=O)N1CCC(OC2CCN(C(=O)c3cccc([C@@H](C)C#N)c3)CC2)CC1 | 1,838,802,731 | [C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][C][O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][C@@H1][Branch1][C][C][C][#N][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2] |
O=C(CC1CCCC1)NC1CCN(C(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CC1 | 518,233,459 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][N][C][C][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][N][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][N] |
CSc1cc(C(=O)NS(=O)(=O)c2c(Cl)nc3ccccn23)ccn1 | 779,199,816 | [C][S][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][Cl][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][=C][C][=N][Ring2][Ring1][=Branch1] |
O=C(NCC1(C(=O)O)CCOCC1)c1cnnn1-c1cc(Cl)ccc1Cl | 1,594,744,049 | [O][=C][Branch2][Ring1][C][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][O][C][C][Ring1][=Branch2][C][=C][N][=N][N][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] |
CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C(C)=C/OC)CCO2)C1 | 1,837,266,148 | [C][C][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C@@][Branch2][Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/O][C][C][C][O][Ring1][=N][C][Ring2][Ring1][Ring1] |
Cn1nnc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCCCO)C2CC2)n1 | 1,314,932,351 | [C][N][N][=N][C][Branch2][Ring2][C][C][N][C][Branch1][O][C][=C][C][Branch1][C][Br][=C][NH1][Ring1][=Branch1][=N][N][=C][Ring1][O][N][Branch1][=Branch1][C][C][C][C][O][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][#Branch2] |
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CC(=O)OC)ccc1C | 435,281,593 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring2][Ring1][C][C] |
Cc1ccc(S(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2F)cc1N(C)C | 762,759,048 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][=Branch1][N][Branch1][C][C][C] |
Cc1cc(C)n(-c2ccc(CC(=O)N[C@@H]3CCC[C@H](C(=O)NC(C)C)C3)cc2)n1 | 522,502,811 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@H1][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][N][=Ring2][Ring1][N] |
C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H](c2nncn2C2CC2)C1 | 180,855,930 | [C][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][C][C@H1][Branch1][=N][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][Ring1][=C] |
CC(C)[C@@H]1CCC[C@](N)(C#C[C@H]2[C@@H]3COC[C@H]23)C1 | 2,319,052,190 | [C][C][Branch1][C][C][C@@H1][C][C][C][C@][Branch1][C][N][Branch1][=N][C][#C][C@H1][C@@H1][C][O][C][C@H1][Ring1][=Branch1][Ring1][Branch1][C][Ring1][#C] |
COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCC(OC(=O)N(C)C)CC1 | 815,189,852 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][C][C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][N] |
COCCN1CCC(NC(=O)C(=O)NCc2ccc(OCC(F)(F)F)nc2)CC1 | 550,529,627 | [C][O][C][C][N][C][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][N][C][C][Ring2][Ring1][=Branch2] |
C[C@@H](NC(=O)C(=O)N1CCC[C@H](OC(F)F)C1)c1cccc(C(F)(F)F)c1 | 670,613,686 | [C][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
O=C(Nc1ccc(C2(NC(=O)c3c[nH]c(=O)cn3)CCC2)cc1)c1cscn1 | 1,787,420,990 | [O][=C][Branch2][Ring2][=Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][C][=N][Ring1][#Branch1][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][=C][S][C][=N][Ring1][Branch1] |
COc1ccc(S(=O)(=O)N2CC[C@@H](c3cccc(C)c3)[C@@H]2C(=O)O)cn1 | 515,304,534 | [C][O][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C@@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C@@H1][Ring1][N][C][=Branch1][C][=O][O][C][=N][Ring2][Ring1][Branch2] |
COc1cccc([C@@H]2[C@H](C(=O)NCc3cccnc3OC)CC(=O)N2C2CC2)c1 | 361,144,880 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][C@@H1][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][O] |
CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O | 443,666,232 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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][C][Ring1][N][=O] |
CN(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cncn2C)C3)cc1 | 1,799,683,157 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch2] |
CC1(COCCC=O)CC(F)(F)C1 | 1,883,182,374 | [C][C][Branch1][#Branch1][C][O][C][C][C][=O][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][N] |
CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 | 884,788,141 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C@H1][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C@H1][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][C][Ring1][P] |
Cc1ncc(COC(=O)c2ccccc2Cc2nc(O)c3ccccc3n2)cn1 | 803,250,017 | [C][C][=N][C][=C][Branch2][Ring1][P][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O][C][=N][Ring2][Ring1][N] |
CCNC(=O)COc1cccc(NC(=O)C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)c1 | 485,064,844 | [C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][O][C@][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][O][=C][Ring2][Ring1][=Branch1] |
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncn1 | 1,796,517,363 | [C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][O][C][C@H1][Branch1][Ring2][C][Ring1][Branch2][C@@H1][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=N][Ring1][=Branch1] |
O=CC1(O[C@@H]2CC[C@H]3CC[C@H]2C3)CCOCC1 | 1,947,152,983 | [O][=C][C][Branch1][=C][O][C@@H1][C][C][C@H1][C][C][C@H1][Ring1][#Branch1][C][Ring1][Branch1][C][C][O][C][C][Ring1][#C] |
Cc1cc(C(=O)NCCc2c[nH]c3cc(F)ccc23)cc(C)c1OCC(=O)O | 237,865,705 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O] |
Cc1cc(CS(=O)(=O)N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)on1 | 841,547,079 | [C][C][C][=C][Branch2][Ring2][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][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][C][Ring1][S][O][N][=Ring2][Ring1][#Branch2] |
COc1ccc(OCCCC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)cc1 | 266,312,127 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2] |
CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCN1C(=O)CSC1=O | 1,872,633,316 | [C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][S][C][Ring1][=Branch1][=O] |
COc1ccc(OC)c(-c2csc(NC(=O)CN3CC[C@H](C)[C@@H]3C)n2)c1 | 248,328,422 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][N][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][C][C@H1][Branch1][C][C][C@@H1][Ring1][=Branch1][C][=N][Ring1][S][=C][Ring2][Ring1][Branch2] |
CC[C@@H](NC)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 | 1,815,598,176 | [C][C][C@@H1][Branch1][Ring1][N][C][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][N][C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][=N][NH1][Ring1][S] |