smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)C2)c1 | 1,782,132,349 | [C][C@H1][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C@H1][O][C][C][C][C@@][Ring1][=Branch1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][#C] |
CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nn(-c2ccccc2)cc1O | 813,411,672 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][O] |
CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)Nc1cnc2c(c1)CNC2=O | 1,637,257,848 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][C@H1][Ring1][N][C][=Branch1][C][=O][N][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][Ring1][=Branch1][=O] |
C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC2)n1C[C@@H](C)COCc1ccccc1 | 1,360,613,559 | [C][C@H1][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][O][C][C@@H1][Branch1][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(NC[C@@H]1CS(=O)(=O)c2ccccc2O1)N[C@@H](CO)Cc1c[nH]c2ccccc12 | 1,683,513,903 | [O][=C][Branch2][Ring1][#Branch1][N][C][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][N][N][C@@H1][Branch1][Ring1][C][O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
O=C(Nc1ccc(-c2nn[nH]n2)c(Br)c1)NN1C[C@H]2CCC[C@H]2C1 | 1,593,212,262 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch1][C][Br][=C][Ring1][N][N][N][C][C@H1][C][C][C][C@H1][Ring1][Branch1][C][Ring1][Branch2] |
COC(=O)c1ccc(CNC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1OC | 510,104,423 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][O][C] |
CC(C)[C@H](C#N)CNCC[C@@H]1CCCCO1 | 397,559,657 | [C][C][Branch1][C][C][C@H1][Branch1][Ring1][C][#N][C][N][C][C][C@@H1][C][C][C][C][O][Ring1][=Branch1] |
C#CC(C)(C)O[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C | 2,304,198,068 | [C][#C][C][Branch1][C][C][Branch1][C][C][O][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C@@H1][Ring1][P][C] |
C=CCCCC(=O)NCC1[C@@H]2CN(Cc3cn(C(C)C)nc3C)C[C@@H]12 | 1,282,873,634 | [C][=C][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][N][Branch1][P][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][Branch2][C][C][C@@H1][Ring1][S][Ring1][#C] |
C=CCCN(C)[C@H]1CCN(C(=O)c2cc(C)nc3ccccc23)C1=O | 1,857,489,153 | [C][=C][C][C][N][Branch1][C][C][C@H1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][Ring2][Ring1][C][=O] |
C[C@@H](NC(=O)C(=O)NCCCOC(C)(C)C)c1cccc(OC(F)(F)F)c1 | 829,221,766 | [C][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] |
Cc1nn(CC(F)F)cc1C(=O)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 | 824,462,740 | [C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1ccc(C)nc1NC(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 | 274,183,233 | [C][O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][S][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#C] |
CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 | 575,048,584 | [C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C] |
CC(=O)c1ccc(CC(=O)NC[C@H]2CSCCN2Cc2ccccc2)cc1 | 429,046,204 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C@H1][C][S][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] |
O=C(NCc1nc(C2CC2)cs1)c1c(Br)nc2n1CCCC2 | 837,478,248 | [O][=C][Branch1][P][N][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][S][Ring1][Branch2][C][=C][Branch1][C][Br][N][=C][N][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1] |
C=CCNCC[C@@H]1[C@H](C)CCCN1C(=O)c1cnc2onc(C)c2c1 | 1,488,998,971 | [C][=C][C][N][C][C][C@@H1][C@H1][Branch1][C][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][N][=C][O][N][=C][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
COc1ccccc1C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)O | 237,276,022 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O] |
CCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CCOC2)CC1 | 1,764,182,375 | [C][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C@@][Branch1][C][O][C][C][O][C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2] |
O=C(Nc1ccccc1SCC(F)(F)F)C(=O)N1CC[C@H]2NCC[C@@H]2C1 | 667,628,220 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][C][C@H1][N][C][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch2] |
CCc1ccccc1-n1cc(C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)nn1 | 839,726,768 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][Branch2][Ring1][N][N][=N][Ring2][Ring1][Ring2] |
Cc1cc(CN(C)c2nnc(-c3ccc[nH]3)n2Cc2cccc(N(C)C)c2)no1 | 1,742,122,484 | [C][C][=C][C][Branch2][Ring2][=Branch1][C][N][Branch1][C][C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][=N][O][Ring2][Ring1][N] |
C=C1CCC(CNC(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 | 1,341,251,745 | [C][=C][C][C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][Branch2] |
C[C@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)C1CC(O)(CCC(C)(C)C)C1 | 1,624,938,808 | [C][C@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Branch1][C][C][N][Ring1][=N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][Branch1][O][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][O] |
CN(Cc1ccncc1)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl | 175,520,503 | [C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] |
C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)CCCN1CCN(C)CC1 | 536,908,230 | [C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
CC(C)(C)c1n[nH]cc1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 | 582,016,412 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 | 1,835,531,642 | [C][C@H1][Branch1][Ring1][C][N][C][=Branch1][C][=O][N][C][C][O][C@][Branch2][Ring1][P][C][O][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][F][=C][N][Ring1][#Branch2][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][Branch2] |
CCCO[C@H](C(=O)N1CCC(C)(C)S(=O)(=O)CC1)c1ccc(F)cc1C | 935,687,177 | [C][C][C][O][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C] |
Cn1ccc([C@H]2CCCN(C(=O)c3c(C(F)(F)F)nn(C)c3C(F)F)C2)n1 | 1,550,988,251 | [C][N][C][=C][C][Branch2][Ring2][#Branch2][C@H1][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Branch1][C][C][C][=Ring1][#Branch2][C][Branch1][C][F][F][C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][#Branch2] |
C#CC1(NCC2(Cl)CCC2)CCC1 | 2,242,083,022 | [C][#C][C][Branch1][N][N][C][C][Branch1][C][Cl][C][C][C][Ring1][Branch1][C][C][C][Ring1][O] |
C=CCCCC(=O)NCC[C@@H]1CCCCN1C(=O)c1c(C)cnn1C | 1,688,966,404 | [C][=C][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=N][N][Ring1][=Branch1][C] |
CCOC(=O)CC1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 | 298,313,343 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][=Branch1] |
CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)CC[C@H]2CCNC2)CC1 | 261,662,732 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C@H1][C][C][N][C][Ring1][Branch1][C][C][Ring1][#C] |
CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)CC1 | 741,743,832 | [C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][Branch1][#C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][NH1][Ring1][=C][C][C][Ring2][Ring1][=Branch1] |
CCCCCn1nc(C)cc1NC(=O)C(=O)N1CCC[C@H](NC(=O)OCC)C1 | 748,980,707 | [C][C][C][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][=Branch2][N][C][=Branch1][C][=O][O][C][C][C][Ring1][N] |
COc1ccc(C(=O)NCCNC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 | 566,993,010 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][=C] |
C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 | 512,801,144 | [C][C@@H1][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=N] |
C[C@H]1COCCN1CCSc1nnc(-c2ccccc2Br)n1N | 188,194,423 | [C][C@H1][C][O][C][C][N][Ring1][=Branch1][C][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][Ring1][N][N] |
O=C1N[C@@H](c2ccc3c(c2)CCO3)C(=O)N1Cc1ncoc1-c1ccccc1 | 366,773,263 | [O][=C][N][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C][C][C][N][=C][O][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
C=CCCCC(=O)N1CC[C@H](NC(=O)CCn2cccc2)[C@H]1CC | 1,282,274,872 | [C][=C][C][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][Ring1][Branch1][C@H1][Ring1][#C][C][C] |
COc1ccccc1N1CC[C@H](OC(=O)CNC(=O)CC2CCCCC2)C1=O | 757,063,049 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C@H1][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] |
O=C([C@H]1CC=CC[C@@H]1C(=O)N1CCC(OC2CCCC2)CC1)N1CCOCC1 | 189,538,910 | [O][=C][Branch2][Ring1][#C][C@H1][C][C][=C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] |
CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1cccc(S(N)(=O)=O)c1 | 104,902,854 | [C][C][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2] |
CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCSc2ccc(Cl)cc2)C1 | 60,750,339 | [C][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1] |
Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)Cc3cnn(C)c3)CC2)cs1 | 1,470,184,351 | [C][C][=N][C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring2][Ring1][C][=C][S][Ring2][Ring1][#Branch2] |
Cc1ccc(=Nc2cccc(C(=O)Nc3ccc(OCC(C)(C)O)cc3)c2)[nH]n1 | 475,490,280 | [C][C][C][=C][C][=Branch2][Ring2][#Branch1][=N][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][O][C][C][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][N][=C][Ring2][Ring1][Branch1][NH1][N][=Ring2][Ring1][N] |
O=C(C[C@@H]1CCCCO1)NC1(c2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)cc2)CCC1 | 1,789,151,334 | [O][=C][Branch1][#Branch2][C][C@@H1][C][C][C][C][O][Ring1][=Branch1][N][C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][C][C][C][Ring2][Ring1][#Branch1] |
Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)on1 | 996,848,537 | [C][C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][O][N][=Ring2][Ring1][N] |
O=C(Nc1cccc(CSC2CCCC2)c1)C(=O)N[C@H]1CCO[C@H]1C1CC1 | 534,838,830 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][C][S][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C][=Branch1][C][=O][N][C@H1][C][C][O][C@H1][Ring1][Branch1][C][C][C][Ring1][Ring1] |
CCOC(=O)N[C@@H](CNC(=O)c1cc(-c2cnn(C)c2)ccc1F)CC(C)C | 782,233,676 | [C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][C][=C][Ring1][N][F][C][C][Branch1][C][C][C] |
C[C@H](NC(=O)C(=O)N1CCN(CCc2ccccc2)CC1)[C@H](C)N1CCOCC1 | 553,617,423 | [C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C@H1][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
CC(=O)NC1CCC(N(C)c2nnc(-c3cc(C4CC4)[nH]n3)n2CC(C)C)CC1 | 1,358,137,631 | [C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring2][C][N][Branch1][C][C][C][=N][N][=C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][N][Ring1][=N][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][=Branch2] |
C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1nc(C2CCCCC2)no1 | 267,718,988 | [C][C@H1][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][O][Ring1][O] |
NC1=NC(=O)[C@H](CC(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)S1 | 123,400,649 | [N][C][=N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring2][Ring1][=Branch2] |
CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCOC[C@@H]2c2ccco2)C1 | 735,024,914 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][Branch2] |
CCCc1cc[n+](/C(C(=S)Nc2cc(C)ccc2F)=C(/O)c2cc(C)ccc2OC)cc1 | 748,294,433 | [C][C][C][C][=C][C][=N+1][Branch2][Ring2][#Branch1][/C][Branch2][Ring1][C][C][=Branch1][C][=S][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][F][=C][Branch1][C][/O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][=N] |
C[C@H]1OCC(=NNc2ncc(F)cc2F)[C@H]1C | 844,602,335 | [C][C@H1][O][C][C][=Branch1][#C][=N][N][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C@H1][Ring1][#C][C] |
O=C(Cc1cc(Br)ccc1[N+](=O)[O-])N1CC2(CCCN2C(=O)C2=COCCC2)C1 | 1,846,407,222 | [O][=C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][N][C][C][Branch2][Ring1][Ring1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][O][C][C][C][Ring1][=Branch1][C][Ring1][S] |
COc1cc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)ccc1C#N | 831,749,625 | [C][O][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][C][=C][Ring2][Ring1][Branch1][C][#N] |
C#CC[C@H]1CCN(C(=O)NC2CCC(O)(c3ccccc3)CC2)C1 | 888,809,540 | [C][#C][C][C@H1][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring2][Ring1][Branch1] |
CN(C)c1cncc(NC(=O)C(=O)NC2CCN(c3cccc(F)c3)CC2)c1 | 1,261,904,798 | [C][N][Branch1][C][C][C][=C][N][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch2] |
O=C(NCCc1cc(Br)ccc1F)C(=O)Nc1ccccc1F | 65,716,214 | [O][=C][Branch1][S][N][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CCc1nc2ccccc2n1C1CCN(c2nnc(-c3[nH]cnc3C)n2C)CC1 | 1,338,579,896 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][N][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][=Branch2][C][NH1][C][=N][C][=Ring1][Branch1][C][N][Ring1][O][C][C][C][Ring2][Ring1][C] |
COc1cc(NC(=O)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc(OC)c1 | 527,086,551 | [C][O][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O] |
COCCN([C@@H]1CCC[C@@H]1C)S(=O)(=O)c1ccc(C(=O)OC)cc1OC | 486,612,833 | [C][O][C][C][N][Branch1][=Branch2][C@@H1][C][C][C][C@@H1][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][O][C] |
CCCc1nc(C)c(NC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H](N)CCO3)C2)s1 | 652,627,506 | [C][C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][N][C@H1][C][C@H1][Branch1][C][N][C][C][O][Ring1][#Branch1][C][Ring1][=N][S][Ring2][Ring1][Branch2] |
C=CCC1(S(=O)(=O)NC(=O)C2CCC2)CC1 | 810,988,341 | [C][=C][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][=N] |
CN(C)c1ccc2cc(NC(=O)c3ccc(-c4nn[nH]n4)c(Cl)c3)ccc2n1 | 1,591,033,297 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][N][C][=C][C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][=Branch2] |
O=C(NCc1cccnc1N1CCCC1)[C@H]1CCCN(CCc2ccccc2)C1 | 617,485,895 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C@H1][C][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] |
C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3ccccc3o1)C2 | 1,793,832,724 | [C][=C][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@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Ring2][Ring1][Ring1] |
C=CCC1(C)CN(C(=O)C(CC)(CC)CN)C1 | 2,024,599,824 | [C][=C][C][C][Branch1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][N][C][Ring1][=C] |
O=C(C[C@H](NC(=O)c1cnc2cc(O)ccc2c1)C(=O)O)OCc1ccccc1 | 1,574,534,182 | [O][=C][Branch2][Ring1][P][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=C][Ring1][O][C][=Branch1][C][=O][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(=O)N1Cc2ccc(S(=O)(=O)Nc3nc4c(s3)CCCCC4)cc2C1 | 663,297,767 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch1] |
O=C(NC[C@H](O)C(=O)OCc1ccccc1)c1cc2c(s1)CCCCCC2 | 1,455,168,232 | [O][=C][Branch2][Ring1][Branch1][N][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch2] |
CC(=O)Nc1cc(F)ccc1C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 | 868,614,315 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][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] |
COCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 | 1,698,223,092 | [C][O][C][C][O][C][C][N][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][N][=C][Ring1][#C][N][C][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Ring1][#Branch2] |
O=S(=O)(NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(C(F)F)cc1 | 805,014,995 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][N][C][C@@H1][Branch1][C][O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][Ring1][=Branch2] |
CC(C)(C)c1ccc(OC[C@H](O)Cn2cc(C[C@@]3(O)CCSC3)nn2)cc1 | 641,190,092 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][N][O][C][C@H1][Branch1][C][O][C][N][C][=C][Branch1][N][C][C@@][Branch1][C][O][C][C][S][C][Ring1][=Branch1][N][=N][Ring1][N][C][=C][Ring2][Ring1][#Branch1] |
NC(=O)c1ccc(CNC(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)cn1 | 544,179,014 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=C][C][=N][Ring2][Ring1][Branch2] |
CC[C@@H]1[C@@H](C(=O)NCc2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C | 292,215,805 | [C][C][C@@H1][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][C][N][Ring1][P][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
C=C([C@H](NC)[C@]1(O)[C@@H](C)C[C@H]1C)[Si](C)(C)C | 1,900,944,041 | [C][=C][Branch2][Ring1][Ring1][C@H1][Branch1][Ring1][N][C][C@][Branch1][C][O][C@@H1][Branch1][C][C][C][C@H1][Ring1][=Branch1][C][Si][Branch1][C][C][Branch1][C][C][C] |
CO[C@@H]1CCC[C@H]([C@H](NC(=O)Cc2coc3cc(Cl)ccc23)C(=O)O)C1 | 630,202,998 | [C][O][C@@H1][C][C][C][C@H1][Branch2][Ring1][S][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch2] |
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 | 821,733,476 | [C][C@@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][N][C][=Branch1][C][=O][N][C@@H1][C][C][O][C@@H1][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][N] |
CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1c[nH]c(C(=O)O)c1 | 435,965,331 | [C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][Branch2] |
COCC(C)(C)CCCn1c(CC2CC2)nnc1N1CCN2C(=O)CC[C@H]2C1 | 1,749,273,012 | [C][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][=N][N][=C][Ring1][=Branch2][N][C][C][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][=Branch1][C][Ring1][#Branch2] |
CCC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCOC)CCO1 | 802,519,496 | [C][C][C][C@@H1][C][N][Branch2][Ring1][N][C][=N][N][=C][Branch1][#C][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][N][Ring1][#C][C][C][O][C][C][C][O][Ring2][Ring1][=Branch2] |
O=C(O)c1cnc([C@H]2CCN(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)C2)s1 | 1,602,513,110 | [O][=C][Branch1][C][O][C][=C][N][=C][Branch2][Ring2][C][C@H1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][C@@H1][C][C][C][O][Ring1][Branch1][C][=Ring1][O][C][Ring2][Ring1][Ring1][S][Ring2][Ring1][Branch2] |
COc1ccccc1-c1nn(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c(=S)n1C | 811,779,082 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Branch2][Ring1][Branch1][C][N][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=S][N][Ring2][Ring1][C][C] |
CC(C)N1C(=O)N[C@H]2CN(C(=O)c3ccnc(-c4ccccc4)c3N)CC[C@H]21 | 1,548,509,102 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][N][C][C][C@H1][Ring2][Ring1][Branch1][Ring2][Ring1][=Branch2] |
Cc1cccc(CCN/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1 | 217,096,828 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][C][N][/C][=C][Branch1][Ring1][/C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] |
CCc1noc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C)c1)C2 | 1,798,176,692 | [C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C@H1][C][O][C][C@@H1][Ring1][=Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][P] |
COC(=O)[C@@]1(OC(C)=O)C[C@@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1 | 102,209,035 | [C][O][C][=Branch1][C][=O][C@@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch2][Ring1][#Branch2][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O][O][Ring2][Ring1][P] |
CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](C)c2cccnc2Cl)c1 | 772,956,992 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C@H1][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][Branch1] |
COC1(c2nc(C3CC3)no2)CCN(C(=O)N[C@H]2CCCc3occc32)CC1 | 671,542,150 | [C][O][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][#Branch2] |
CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3F)N(C[C@H]3CCCO3)C2=O)cc1 | 838,548,626 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][C@@H1][S][C][=Branch1][=C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][Branch1][=Branch2][C][C@H1][C][C][C][O][Ring1][Branch1][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][#C] |
CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1 | 1,557,382,734 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][N][Branch2][Ring1][=C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][Ring1][S][C][Ring2][Ring1][=Branch1] |
CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCO1 | 2,268,714,677 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C@H1][C][C][C][O][Ring1][Branch1] |
CCCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCc2sccc2C)c2ccccc2c1=O | 1,728,164,030 | [C][C][C][N][N][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch1][N][N][Branch1][C][C][C@H1][Branch1][C][C][C][C][#N][N][Ring1][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=C][=O] |