smiles large_stringlengths 5 271 | zinc_id int64 213 2.38B | SELFIES stringlengths 13 1.1k |
|---|---|---|
C/C=C/C[C@H](N)[C@@H](O)c1nccc(C(F)F)n1 | 2,020,845,229 | [C][/C][=C][/C][C@H1][Branch1][C][N][C@@H1][Branch1][C][O][C][=N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][Ring1][=Branch2] |
CC(C)(C)[C@H](CO)CNC(=O)[C@@H]1CCCS1 | 1,937,089,305 | [C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][S][Ring1][Branch1] |
CCC(C)(C)CC(=O)NCCOCCCNC(=O)OC(C)(C)C | 1,557,855,620 | [C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
COC(=O)[C@@H](N[C@H](C)CCc1ccc(O)cc1)c1cccc(O)c1 | 361,730,269 | [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][N][C@H1][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
C[C@H]1CN(C(=O)NCCCNS(=O)(=O)c2ccccc2Br)C[C@H](C)O1 | 513,542,657 | [C][C@H1][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][C@H1][Branch1][C][C][O][Ring2][Ring1][Branch2] |
Cc1nn(CCNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c(C)c1-c1ccco1 | 585,373,884 | [C][C][=N][N][Branch2][Ring1][#C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][O][Ring1][Branch1] |
Cc1cn2nnc(C(=O)N(CCC#N)CC(C)(C)C)c2c(O)n1 | 1,411,782,553 | [C][C][=C][N][N][=N][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][#N][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][C][Branch1][C][O][=N][Ring2][Ring1][=Branch1] |
Cc1ccnc(C(=O)Nc2cc(N)ccn2)c1C | 2,082,432,422 | [C][C][=C][C][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][N][=C][C][=N][Ring1][#Branch1][=C][Ring1][S][C] |
CCN[C@H](c1cc(CC)c(Br)s1)[C@@]12C[C@H]1[C@H](C)C2 | 2,255,980,679 | [C][C][N][C@H1][Branch1][#C][C][=C][C][Branch1][Ring1][C][C][=C][Branch1][C][Br][S][Ring1][Branch2][C@@][C][C@H1][Ring1][Ring1][C@H1][Branch1][C][C][C][Ring1][=Branch1] |
CO[C@H](C)CCN(C)CC[C@H]1CCNC[C@@H]1C | 2,009,697,101 | [C][O][C@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][C][C@H1][C][C][N][C][C@@H1][Ring1][=Branch1][C] |
C[C@@H]1CC[C@@H](CN2CCC(N(C)C(=O)C3(C(F)F)CC3)CC2)O1 | 1,398,196,041 | [C][C@@H1][C][C][C@@H1][Branch2][Ring1][P][C][N][C][C][C][Branch2][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch1][C][C][Ring1][S][O][Ring2][Ring1][=Branch1] |
Cc1ccc(-c2ccc(CN[C@@H]3C(=O)NCC34CCOCC4)o2)cc1 | 895,774,140 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C@@H1][C][=Branch1][C][=O][N][C][C][Ring1][=Branch1][C][C][O][C][C][Ring1][=Branch1][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CN(C)c1n[nH]c(CNC(=O)NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)n1 | 1,478,769,781 | [C][N][Branch1][C][C][C][=N][NH1][C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][N][C][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][O] |
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(CCN3CCOCC3)CC2)o1 | 64,333,563 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][O][Ring2][Ring1][Branch1] |
CC(=O)N1CCC(N[C@@H]2CC[C@@H](C)OC2)CC1 | 401,937,827 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][N][C@@H1][C][C][C@@H1][Branch1][C][C][O][C][Ring1][#Branch1][C][C][Ring1][=C] |
CC[C@@H](CNC)N1CC([C@H]2CC2(F)F)C1 | 1,933,067,198 | [C][C][C@@H1][Branch1][Ring2][C][N][C][N][C][C][Branch1][#Branch2][C@H1][C][C][Ring1][Ring1][Branch1][C][F][F][C][Ring1][=Branch2] |
Cc1ccn(C)c(=O)c1NC(=O)NNC(=O)[C@@H]1CCCO1 | 292,865,080 | [C][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][O][Ring1][Branch1] |
CCNC[C@@H]1CCN([C@H]2[C@@H](C)C2(F)F)C1 | 1,933,148,589 | [C][C][N][C][C@@H1][C][C][N][Branch1][=N][C@H1][C@@H1][Branch1][C][C][C][Ring1][Ring2][Branch1][C][F][F][C][Ring1][O] |
CN(CC(=O)c1ccccc1)[C@H]1CCCNC1=O | 2,051,442,329 | [C][N][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][C][N][C][Ring1][=Branch1][=O] |
CCN(CC)C[C@H](O)CC[C@@H]1CO[C@@H](C)C1 | 1,976,350,108 | [C][C][N][Branch1][Ring1][C][C][C][C@H1][Branch1][C][O][C][C][C@@H1][C][O][C@@H1][Branch1][C][C][C][Ring1][=Branch1] |
CCC(CC)C(=O)N1C[C@@H](NC(=O)COc2ccccc2)C(C)(C)C1 | 1,412,074,553 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C] |
OC[C@@H]1CCC[C@H](NC2CC3(CCNC3)C2)C1 | 1,908,628,512 | [O][C][C@@H1][C][C][C][C@H1][Branch1][S][N][C][C][C][Branch1][#Branch1][C][C][N][C][Ring1][Branch1][C][Ring1][Branch2][C][Ring1][#C] |
Cc1nc(CN(C)[C@H]2CCOC(C)(C)C2)no1 | 1,255,535,595 | [C][C][=N][C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C@H1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][=N][O][Ring1][S] |
N[C@@H]1CCCC[C@@H]1[C@@H](O)c1ccc(F)cn1 | 1,896,670,074 | [N][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
C[C@H](O)CCCNC(=O)[C@H]1CCC(C)(C)CN1 | 1,946,251,084 | [C][C@H1][Branch1][C][O][C][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][Branch2] |
CC[C@H](CNC(=O)N1C[C@@H](C)C(O)[C@H](C)C1)Oc1cccc(C)c1 | 664,327,177 | [C][C][C@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][Branch1][C][O][C@H1][Branch1][C][C][C][Ring1][=Branch2][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] |
CCC[C@H](C)c1nnnn1CCCCN | 1,960,040,931 | [C][C][C][C@H1][Branch1][C][C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][N] |
Cc1ncn(C[C@@H](O)Cc2ccc(I)c(Br)c2)c1C | 2,349,850,619 | [C][C][N][=C][N][Branch2][Ring1][Branch1][C][C@@H1][Branch1][C][O][C][C][=C][C][=C][Branch1][C][I][C][Branch1][C][Br][=C][Ring1][Branch2][C][=Ring1][P][C] |
O[C@@H]1COC[C@@H]1CN[C@@H]1CC[C@H]2CCCC[C@@H]21 | 1,948,502,460 | [O][C@@H1][C][O][C][C@@H1][Ring1][Branch1][C][N][C@@H1][C][C][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][=Branch2] |
C[C@@]12CCO[C@@H]1[C@]1(C2)NC[C@@H](C2CC2)O1 | 1,933,396,711 | [C][C@@][C][C][O][C@@H1][Ring1][Branch1][C@][Branch1][Ring2][C][Ring1][#Branch1][N][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][=Branch2] |
CNC1(CC(=O)Nc2ccccc2N(C)C)CC1 | 1,925,315,920 | [C][N][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][S] |
Fc1cccnc1COCC12CC(CCN1)C2 | 2,299,944,824 | [F][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][C][C][C][C][Branch1][=Branch1][C][C][N][Ring1][=Branch1][C][Ring1][#Branch1] |
Nc1c(Cl)c(F)cc(C(=O)N[C@H](CO)c2cccnc2)c1Cl | 1,630,306,635 | [N][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][Cl] |
CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 | 1,778,681,494 | [C][C][Branch1][C][C][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C@][Branch2][Ring1][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][S][C][Ring2][Ring1][Branch1] |
COc1cccc(F)c1C(=O)N[C@@H](C)CCNCc1nccs1 | 1,568,634,767 | [C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][N][C][C][=N][C][=C][S][Ring1][Branch1] |
CC(C)=CC(=O)NCC1(NCc2ncc(Br)s2)CC1 | 1,483,713,771 | [C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][C][C][Branch1][=N][N][C][C][=N][C][=C][Branch1][C][Br][S][Ring1][=Branch1][C][C][Ring1][O] |
Cc1sccc1CC(=O)NCC[C@@H](C)NCc1cncc(F)c1 | 1,492,091,379 | [C][C][S][C][=C][C][=Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][N][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 | 1,749,269,725 | [C][=C][Branch1][C][Cl][C][N][C][Branch1][=C][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][=N][N][=C][Ring1][N][N][C][C][N][Branch1][S][C][=N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][=Branch2][C][C][Ring1][#C] |
CC(C)Oc1ccc(C(=O)OCCO)nc1 | 769,374,488 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][O][C][C][O][N][=C][Ring1][N] |
CC[C@@H]1CN2CCC[C@@H]2CN1c1ccnc(C)n1 | 174,924,288 | [C][C][C@@H1][C][N][C][C][C][C@@H1][Ring1][Branch1][C][N][Ring1][=Branch2][C][=C][C][=N][C][Branch1][C][C][=N][Ring1][#Branch1] |
C=CCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cc2cncnc2)[C@H]1C | 1,178,563,794 | [C][=C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C@H1][Ring1][=C][C] |
CN(C(=O)[C@@H]1CNC[C@H](O)C1)[C@H]1CC[C@H](S(C)(=O)=O)C1 | 2,361,696,214 | [C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][N][C][C@H1][Branch1][C][O][C][Ring1][#Branch1][C@H1][C][C][C@H1][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][=Branch2] |
C=CCNC(=O)NC(=O)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CC2)C1 | 1,755,387,995 | [C][=C][C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][N][C][C][Branch2][Ring1][Ring2][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][C][C][Ring1][Ring1][C][Ring1][#C] |
CCC(=O)NNC(=O)[C@@H](C)N[C@@H](C)c1c(C)noc1C | 754,157,667 | [C][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] |
CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)c1nccn2nccc12 | 2,002,909,893 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][=C][N][N][=C][C][=C][Ring1][=Branch2][Ring1][Branch1] |
Cc1nccc(N2CC[C@H](N)C(F)(F)CC2)n1 | 1,944,960,909 | [C][C][=N][C][=C][C][Branch2][Ring1][Ring1][N][C][C][C@H1][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][#Branch2][=N][Ring1][S] |
C[C@](O)(c1cccnc1)[C@H](N)Cc1ccc(I)c(Br)c1 | 2,377,273,713 | [C][C@][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][I][C][Branch1][C][Br][=C][Ring1][Branch2] |
COc1cc(C)nc(CN2CC=CC[C@@H]2CN)c1 | 2,056,277,894 | [C][O][C][=C][C][Branch1][C][C][=N][C][Branch1][N][C][N][C][C][=C][C][C@@H1][Ring1][=Branch1][C][N][=C][Ring1][S] |
CCN[C@@H]1CC[C@@H](C)N(C[C@H]2CCN(C)C2)C1 | 1,940,204,460 | [C][C][N][C@@H1][C][C][C@@H1][Branch1][C][C][N][Branch1][N][C][C@H1][C][C][N][Branch1][C][C][C][Ring1][=Branch1][C][Ring1][=C] |
CSC[C@H](C)COc1ccc(C(=O)O)nn1 | 382,803,024 | [C][S][C][C@H1][Branch1][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][=N][Ring1][=Branch2] |
CC(C)c1ocnc1CN1CCC[C@H](NC(=O)CC[C@@H]2CCOC2)C1 | 1,419,087,687 | [C][C][Branch1][C][C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C@@H1][C][C][O][C][Ring1][Branch1][C][Ring1][S] |
COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(C1)OCc1ccccc12 | 802,438,412 | [C][O][C][C][N][C][Branch1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=N][N][=C][Ring1][#C][N][C][C][C@@][Branch1][Ring2][C][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CC[C@@](C)(CN(C)Cc1cc(Cl)c(N)c(Cl)c1)C(F)F | 2,361,797,479 | [C][C][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][Branch1][C][F][F] |
CCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(OC)c(O)cc4[N+](=O)[O-])C[C@@H]32)n1 | 1,786,169,317 | [C][C][N][C][=C][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][C@@H1][O][C][C@@H1][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][C][C@@H1][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][S] |
O[C@@H](c1ccc(OCF)cc1)[C@@H]1CC12CNC2 | 2,253,092,516 | [O][C@@H1][Branch1][=C][C][=C][C][=C][Branch1][Ring2][O][C][F][C][=C][Ring1][=Branch2][C@@H1][C][C][Ring1][Ring1][C][N][C][Ring1][Ring2] |
O=C(NCc1ccc(Cl)s1)C(=O)N1CCC[C@@]2(C1)CC2(F)F | 1,326,668,829 | [O][=C][Branch1][=N][N][C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][Ring2][Branch1][C][F][F] |
C[C@@H](NC(=O)NC[C@@H](O)c1cnn(C)c1)c1cccc(C#N)c1 | 743,709,227 | [C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2] |
CC[C@@H](C)OC(=O)C[C@@H]1CNCC1(C)C | 1,961,829,333 | [C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][C@@H1][C][N][C][C][Ring1][Branch1][Branch1][C][C][C] |
COc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](O)c2cccc(F)c2)cc1OC | 810,920,347 | [C][O][C][=C][C][=C][Branch2][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2][O][C] |
CO[C@]1(COCCC2CCCC2)CCNC1 | 1,983,037,783 | [C][O][C@][Branch1][N][C][O][C][C][C][C][C][C][C][Ring1][Branch1][C][C][N][C][Ring1][=C] |
COC(OC)[C@H](O)c1ccsc1C | 227,749,811 | [C][O][C][Branch1][Ring1][O][C][C@H1][Branch1][C][O][C][C][=C][S][C][=Ring1][Branch1][C] |
CC[C@@H]1CS[C@@H]([C@H]2NCC23CCOCC3)N1 | 1,905,110,679 | [C][C][C@@H1][C][S][C@@H1][Branch1][=C][C@H1][N][C][C][Ring1][Ring2][C][C][O][C][C][Ring1][=Branch1][N][Ring1][=C] |
CCCSC[C@@H](C)N1CCC(=O)NC1=O | 1,927,943,487 | [C][C][C][S][C][C@@H1][Branch1][C][C][N][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O] |
CC(C)N[C@@](C)(CC(F)(F)F)C(=O)O | 1,957,332,481 | [C][C][Branch1][C][C][N][C@@][Branch1][C][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O] |
O=C(CCCN1C[C@H]2C[C@H]2C1)N1CCCC1 | 1,994,988,073 | [O][=C][Branch1][=C][C][C][C][N][C][C@H1][C][C@H1][Ring1][Ring1][C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] |
CC1(C)[C@H](CNC[C@@H]2CC[C@H](CO)O2)C1(F)F | 2,026,626,917 | [C][C][Branch1][C][C][C@H1][Branch1][#C][C][N][C][C@@H1][C][C][C@H1][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][Ring1][=C][Branch1][C][F][F] |
C[C@H]1CCN(CC(=O)C2CC2)CCS1 | 307,007,199 | [C][C@H1][C][C][N][Branch1][O][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][S][Ring1][=N] |
CCC[C@H](C)CC(=O)N(C)C1CC(NC(=O)c2cnc(C)nc2C)C1 | 1,445,009,266 | [C][C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][C][Ring1][#C] |
Cn1c(Cl)cnc1[C@H](O)[C@]1(N)CC[C@@H]2C[C@H]21 | 1,979,273,656 | [C][N][C][Branch1][C][Cl][=C][N][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C@][Branch1][C][N][C][C][C@@H1][C][C@H1][Ring1][Ring1][Ring1][#Branch1] |
CCOc1cccc([C@H]2C[C@H]2NC(=O)NC[C@@H](C)N(CC)CC)c1 | 474,775,279 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][Branch1][Ring1][C][C][C][C][=C][Ring2][Ring1][Branch1] |
O[C@H](COC[C@H]1CCOC1)[C@H]1[C@H]2CCCC[C@H]21 | 2,002,760,736 | [O][C@H1][Branch1][O][C][O][C][C@H1][C][C][O][C][Ring1][Branch1][C@H1][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][Ring1][#Branch1] |
CCOC(=O)[C@H]1N=CO[C@H]1C1CCCC1 | 85,274,199 | [C][C][O][C][=Branch1][C][=O][C@H1][N][=C][O][C@H1][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] |
CCCn1nncc1[C@H](N)Cc1cc(F)cc(Br)c1 | 2,100,273,162 | [C][C][C][N][N][=N][C][=C][Ring1][Branch1][C@H1][Branch1][C][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Br][=C][Ring1][Branch2] |
CC[C@](C)(OC)[C@H](CN)N1CC[C@H]1C(C)C | 1,936,230,426 | [C][C][C@][Branch1][C][C][Branch1][Ring1][O][C][C@H1][Branch1][Ring1][C][N][N][C][C][C@H1][Ring1][Ring2][C][Branch1][C][C][C] |
C=CCC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)O | 316,692,904 | [C][=C][C][C][C@@H1][Branch2][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O] |
CCOc1cncc(-n2nc(C3CCC3)c(Cl)c2C(F)F)c1 | 2,078,865,357 | [C][C][O][C][=C][N][=C][C][Branch2][Ring1][Branch2][N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][Branch1][C][F][F][=C][Ring2][Ring1][Ring1] |
CCN(CCO)[C@H]1CCCN(C(=O)c2nnc(O)nc2O)C1 | 1,365,882,952 | [C][C][N][Branch1][Ring2][C][C][O][C@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=N][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][O][C][Ring1][S] |
CCN[C@H]([C@@H]1[C@H]2CCC[C@H]21)[C@]1(O)CCO[C@@H]1C | 1,945,694,407 | [C][C][N][C@H1][Branch1][O][C@@H1][C@H1][C][C][C][C@H1][Ring1][Branch1][Ring1][=Branch1][C@][Branch1][C][O][C][C][O][C@@H1][Ring1][=Branch1][C] |
Cc1noc(CCNC[C@@H]2[C@@H](C)[C@H]2C)n1 | 1,959,097,495 | [C][C][=N][O][C][Branch1][=C][C][C][N][C][C@@H1][C@@H1][Branch1][C][C][C@H1][Ring1][Ring2][C][=N][Ring1][=C] |
CCCCC(=O)NC[C@H]1[C@@H]2CN(Cc3cccc(NC(C)=O)c3)C[C@H]12 | 1,441,252,533 | [C][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C@@H1][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][C@H1][Ring1][P][Ring1][S] |
COc1ccc(N)c(N[C@H]2CCN3CC[C@H]2C3)n1 | 2,072,650,147 | [C][O][C][=C][C][=C][Branch1][C][N][C][Branch1][=C][N][C@H1][C][C][N][C][C][C@H1][Ring1][#Branch1][C][Ring1][Branch1][=N][Ring1][S] |
CCOC(=O)[C@H]1CCCN1CCCN(C)CC | 2,013,442,188 | [C][C][O][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][C][C][N][Branch1][C][C][C][C] |
C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]c1)c1ccco1 | 1,407,013,045 | [C][C@@H1][Branch2][Ring1][=N][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][C][=C][NH1][C][=Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] |
CN[C@H]1CCCC[C@H]1OCCOCCOC | 125,712,548 | [C][N][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][O][C][C][O][C][C][O][C] |
CN(C(=O)N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O | 481,214,123 | [C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C@H1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C@@H1][Ring1][O][O] |
CSCC1CN([C@H](CN)[C@@H]2CC2(C)C)C1 | 1,958,878,686 | [C][S][C][C][C][N][Branch1][#C][C@H1][Branch1][Ring1][C][N][C@@H1][C][C][Ring1][Ring1][Branch1][C][C][C][C][Ring1][N] |
CO[C@@H](C)C[C@H](N)c1csnc1C | 1,883,218,496 | [C][O][C@@H1][Branch1][C][C][C][C@H1][Branch1][C][N][C][=C][S][N][=C][Ring1][Branch1][C] |
CCCC[C@H](CC)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CC(C)(C)O | 1,424,557,959 | [C][C][C][C][C@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Ring1][=Branch1][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][O] |
CC(C)c1ccc(OCC(=O)N2CCc3ccnc(O)c3C2)cc1 | 277,249,055 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][O][C][=C][Ring2][Ring1][Branch1] |
Nc1cnccc1C(=O)O[C@H]1CCC[C@H]1F | 1,991,642,041 | [N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C][C][C@H1][Ring1][Branch1][F] |
CC[C@@H](N[C@@H](C)c1nnnn1C)C(C)C | 379,921,046 | [C][C][C@@H1][Branch1][=C][N][C@@H1][Branch1][C][C][C][=N][N][=N][N][Ring1][Branch1][C][C][Branch1][C][C][C] |
CCC(C)(C)CCNC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F | 633,969,541 | [C][C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C@@H1][C][O][C][C][O][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CSc1cccc(N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)c1 | 541,779,609 | [C][S][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring2][Ring1][Branch1] |
CN1CC[C@@H](C(=O)CC2C[C@@H]3CC[C@H](C2)O3)C1 | 2,010,678,470 | [C][N][C][C][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][O][Ring1][=Branch1][C][Ring1][S] |
COC(=O)[C@@H](C)NC(=O)[C@@]12CCCC[C@H]1CC2 | 2,251,123,528 | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@][C][C][C][C][C@H1][Ring1][=Branch1][C][C][Ring1][Branch2] |
Cc1cc(CS(=O)(=O)N[C@H]2CC(C(=O)O)=C[C@H]2O)no1 | 2,188,065,994 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C@H1][Ring1][Branch2][O][=N][O][Ring2][Ring1][Ring1] |
CC(C)(C)OCC1CN([C@@H](CN)C2CC2)C1 | 1,979,183,966 | [C][C][Branch1][C][C][Branch1][C][C][O][C][C][C][N][Branch1][O][C@@H1][Branch1][Ring1][C][N][C][C][C][Ring1][Ring1][C][Ring1][#Branch2] |
COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1 | 510,882,662 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][C][C][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][S][=C][Ring2][Ring1][N] |
C/C(=C\c1ccc(Cl)cc1)C(=O)N1CC2(CC2)Oc2ccccc21 | 1,134,670,894 | [C][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Branch1][C][C][Ring1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] |
COC(=O)c1cc(NNC(=O)C23CC(C(F)(F)F)(C2)C3)ccc1C | 857,267,284 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][N][N][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][C] |