smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
C[C@H]1CC[C@H](C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(-c4cccs4)on3)CC2)CC1 | 1,829,283,097 | [C][C@H1][C][C][C@H1][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][N][=Ring1][#Branch2][C][C][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][S] |
CN(C[C@H]1CCCOC1)c1nnc([C@H]2CCOC2)n1CCCN1CCCC1 | 1,729,479,166 | [C][N][Branch1][#Branch2][C][C@H1][C][C][C][O][C][Ring1][=Branch1][C][=N][N][=C][Branch1][Branch2][C@H1][C][C][O][C][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][N][C][C][C][C][Ring1][Branch1] |
CN1CCN(c2nc(=NCCc3ccc(F)cc3)[nH]c(=Nc3ccc4c[nH]nc4c3)[nH]2)CC1 | 1,871,701,577 | [C][N][C][C][N][Branch2][Ring2][#Branch2][C][=N][C][=Branch1][#C][=N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][C][=Branch1][#C][=N][C][C][=C][C][=C][NH1][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][NH1][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][S] |
C[C@@H](C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1)N1C(=O)CCC1=O | 558,303,759 | [C][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring1][P][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O] |
Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NC[C@H](N)C(C)C | 429,150,474 | [C][C][=N][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][N][C][Branch1][C][C][C] |
O=S(=O)(c1cnc2c(Br)csc2c1)N1[C@H]2CC[C@H]1CNC2 | 631,953,252 | [O][=S][=Branch1][C][=O][Branch1][P][C][=C][N][=C][C][Branch1][C][Br][=C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C@H1][C][C][C@H1][Ring1][Branch1][C][N][C][Ring1][#Branch1] |
Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2[C@H]2C[C@@H]2C)n1 | 1,290,612,890 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring2][Ring2][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][P][C@H1][C][C@@H1][Ring1][Ring1][C][N][=Ring2][Ring1][N] |
Brc1ccc(C2(CNc3cncc(-n4cncn4)n3)CCC2)s1 | 672,319,834 | [Br][C][=C][C][=C][Branch2][Ring1][=N][C][Branch2][Ring1][Ring2][C][N][C][=C][N][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][Ring1][O][C][C][C][Ring1][P][S][Ring2][Ring1][=Branch1] |
Cn1ccnc1[C@@H](NC(=O)CC1CCN(CC(F)F)CC1)c1ccccc1F | 635,179,929 | [C][N][C][=C][N][=C][Ring1][Branch1][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
O=C(NCc1ccn2ccnc2c1)c1nc(Br)sc1C1CC1 | 791,383,525 | [O][=C][Branch1][S][N][C][C][C][=C][N][C][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][N][=C][Branch1][C][Br][S][C][=Ring1][=Branch1][C][C][C][Ring1][Ring1] |
CCn1c(-c2nc3c(s2)CN(C)CC3)nnc1N1CCO[C@@](C)(CC)C1 | 1,340,185,593 | [C][C][N][C][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][C][C][C][C][Ring1][Branch2][=N][N][=C][Ring1][#C][N][C][C][O][C@@][Branch1][C][C][Branch1][Ring1][C][C][C][Ring1][=Branch2] |
C=C(C)[C@@H](OCCCN)c1cccnc1C | 2,245,773,966 | [C][=C][Branch1][C][C][C@@H1][Branch1][=Branch1][O][C][C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C] |
O=C(O[C@@H]1CS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 | 1,851,514,891 | [O][=C][Branch2][Ring1][Branch1][O][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C@@H1][C][C][=Branch1][C][=O][N][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring1][S] |
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)C2(CO)CCOCC2)CC1 | 837,656,427 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][C][O][C][C][Ring1][Branch2][C][C][Ring2][Ring1][C] |
CCOC(=O)CCCS(=O)(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 | 1,662,348,549 | [C][C][O][C][=Branch1][C][=O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COCC1(C)CN(C(=O)C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)C1 | 435,296,311 | [C][O][C][C][Branch1][C][C][C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][=C][Ring1][=C][C][C][Ring2][Ring1][=Branch2] |
CCOc1ccc([C@H](O)C2CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)cc1 | 911,521,467 | [C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C@H1][Branch1][C][O][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][=Branch2] |
Cc1cccc(O[C@H](C)Cn2c(C(C)C)nnc2N(CCO)Cc2ccc(Br)s2)c1 | 1,724,240,943 | [C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][O][C@H1][Branch1][C][C][C][N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][N][=C][Ring1][Branch2][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][=C][Ring2][Ring1][=N] |
C[C@@H](c1ccc2ccccc2c1)N(C(=O)NCCC(=O)NCCC(=O)O)C1CC1 | 1,593,698,294 | [C][C@@H1][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][C][C][Ring1][Ring1] |
Cn1ncc2c(N3CCC[C@H](CNC(=O)OCc4ccccc4)C3)ccnc21 | 804,679,483 | [C][N][N][=C][C][=C][Branch2][Ring1][N][N][C][C][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][C][=C][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][O] |
COc1cc(F)cc(NC(=O)C(=O)N[C@H](C)c2ccccc2OC(F)F)c1 | 1,332,855,823 | [C][O][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][=C][Ring2][Ring1][=Branch2] |
Cc1cc(F)c(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3c(F)cccc3F)CC2)cc1F | 1,829,892,246 | [C][C][=C][C][Branch1][C][F][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#C][F] |
CC(=O)N1CCc2cc(NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)ccc21 | 482,661,270 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=O][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2] |
C=C(Cl)C[C@@H](NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1)C(=O)OCC | 1,454,715,862 | [C][=C][Branch1][C][Cl][C][C@@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=N][C][Ring1][=C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O][C][C] |
Cc1cc(Cl)cc(C(=O)N2CC[C@H](CNC(=O)[C@@H](C)c3cccs3)[C@@H]2c2cccnc2)c1 | 1,813,346,458 | [C][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1][C@@H1][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][#C] |
Cc1ccc(-n2cnc3c2CCN(C(=O)C(=O)N[C@H](C)CCC(C)C)C3)cc1 | 549,917,782 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=N][C][=C][Ring1][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O] |
COc1cc(CNS(=O)(=O)c2ccc3c(c2)nnn3C)c2ccccc2n1 | 1,561,310,672 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] |
CCC[C@](C)(NC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1)C(=O)O | 262,228,528 | [C][C][C][C@][Branch1][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C][C][=Branch1][C][=O][O] |
COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c(C)c3F)CC2)CC1 | 1,834,020,351 | [C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][O][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][F][C][C][Ring1][S][C][C][Ring2][Ring1][=Branch1] |
C[C@H](c1cccnc1)N1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 | 151,646,182 | [C][C@H1][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring2] |
O=C(CCn1cccc1)NC1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 | 1,055,605,486 | [O][=C][Branch1][#Branch2][C][C][N][C][=C][C][=C][Ring1][Branch1][N][C][C][C][N][Branch2][Ring1][=Branch1][C][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][C][C][Ring2][Ring1][Ring1] |
COc1cc(C)cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc4c(F)cc(F)cc4[nH]3)CC2)c1 | 1,830,463,109 | [C][O][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][NH1][Ring1][O][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring2][C] |
CC(=O)NCC[C@@H]1CCCN(CC(=O)NCCCOc2cccc(C)c2)C1 | 554,292,111 | [C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch1] |
CCOC(=O)CC(C)(C)CC(=O)NC1(c2cccc(OC)c2F)CCOCC1 | 577,418,552 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][F][C][C][O][C][C][Ring1][#C] |
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 | 1,634,251,959 | [C][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O][=C][Ring1][#C] |
CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)OCO3)C2 | 1,793,071,115 | [C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@@H1][C@H1][C][O][C][C@@H1][Ring1][=Branch1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring2][Ring1][Ring2] |
C=C1CCN(c2ccc(Cl)c(C(=O)O)n2)C1 | 688,694,747 | [C][=C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][#Branch2][C][Ring1][#C] |
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)N[C@H]2CCC[C@@H](C)C2)c1 | 505,161,936 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C@H1][C][C][C][C@@H1][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] |
C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)C[C@@H]1O | 349,523,085 | [C][C@@H1][C][N][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=N][Ring1][Branch2][C][C@@H1][Ring2][Ring1][#Branch1][O] |
NC[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 | 2,059,107,899 | [N][C][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cn1nccc1S(=O)(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F | 280,952,077 | [C][N][N][=C][C][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] |
C[C@@H](C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F | 819,857,887 | [C][C@@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
CCOc1cc(C)ccc1NC(=O)C(=O)N(CC)[C@H](COC)Cc1ccccc1 | 441,694,652 | [C][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C@H1][Branch1][Ring2][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC/C(=N\OCC#N)c1cc(OC)ccc1OC | 821,224,883 | [C][C][/C][=Branch1][=Branch1][=N][\O][C][C][#N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] |
CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)c1ccc(-n2cc(Br)cn2)nn1 | 1,449,446,615 | [C][C][Branch1][C][C][C@H1][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][N][=N][Ring1][N] |
CCc1cnn(CC[C@H]2CCC[C@@]2(C#N)NC)c1 | 402,053,293 | [C][C][C][C][=N][N][Branch1][S][C][C][C@H1][C][C][C][C@@][Ring1][Branch1][Branch1][Ring1][C][#N][N][C][C][=Ring1][S] |
C[C@@H]1COCC[C@H]1n1c(CCl)nc2cc(F)c(Br)cc21 | 312,502,369 | [C][C@@H1][C][O][C][C][C@H1][Ring1][=Branch1][N][C][Branch1][Ring1][C][Cl][=N][C][=C][C][Branch1][C][F][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Ring1][=N] |
CC1(N2CCCC2)CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2O)CC1 | 633,945,692 | [C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][N][O][C][C][Ring2][Ring1][#Branch2] |
COc1ccc(-c2nnc(NC(=O)c3cc(C#N)ccn3)s2)cc1 | 339,512,628 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=N][Ring1][Branch2][S][Ring1][S][C][=C][Ring2][Ring1][=Branch1] |
COCc1ccc([C@@H]2CCCN2c2nnc(C)n2CCN2CCC(C)CC2)o1 | 1,301,163,889 | [C][O][C][C][=C][C][=C][Branch2][Ring1][#C][C@@H1][C][C][C][N][Ring1][Branch1][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][O][Ring2][Ring1][=Branch2] |
CC[C@@H]1NC(=O)N(c2cccc(NS(=O)(=O)c3cnn(C(C)C)c3)c2)C1=O | 527,280,759 | [C][C][C@@H1][N][C][=Branch1][C][=O][N][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][=C][Ring2][Ring1][C][C][Ring2][Ring1][Branch2][=O] |
CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C1=CCCCO1 | 182,188,893 | [C][C][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][C][C][O][Ring1][=Branch1] |
CC(=O)OC[C@@H]1O[C@@H](SCCOc2ccccc2C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O | 10,013,400 | [C][C][=Branch1][C][=O][O][C][C@@H1][O][C@@H1][Branch1][=C][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][=Branch2][O][C][Branch1][C][C][=O] |
COC(=O)c1csc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)c1 | 1,662,506,743 | [C][O][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][N][Branch1][C][C][C][C][Ring1][=N][=C][Ring2][Ring1][#Branch1] |
N#CC(=Cc1ccc(F)cc1)C(=O)NCc1csc(-c2ccccc2)n1 | 2,308,380,661 | [N][#C][C][=Branch1][=N][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] |
Cc1nnc2n1C[C@@H](C(=O)Nc1ccc(NC(=O)c3ccccc3)nc1)CC2 | 676,819,997 | [C][C][=N][N][=C][N][Ring1][Branch1][C][C@@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][C][C][Ring2][Ring1][Branch2] |
C[C@H](Sc1nncn1C)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 | 56,275,093 | [C][C@H1][Branch1][#Branch2][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C@@H1][C][C][C][O][Ring1][Branch1] |
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCC=C(c2ccncc2)C1 | 803,622,972 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][N] |
CC[C@H](Cc1ccc(Br)cc1)NC(=O)Nc1c(C(=O)O)cnn1C | 1,605,058,457 | [C][C][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][N][Ring1][Branch2][C] |
CC[C@H](C)c1nnc(N2CC[C@@H](C)[C@H]2C)n1CCN1CCN(C)C(C)(C)C1 | 1,512,891,989 | [C][C][C@H1][Branch1][C][C][C][=N][N][=C][Branch1][N][N][C][C][C@@H1][Branch1][C][C][C@H1][Ring1][=Branch1][C][N][Ring1][N][C][C][N][C][C][N][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2] |
CN(C)c1nc(Cl)c(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)s1 | 822,444,987 | [C][N][Branch1][C][C][C][=N][C][Branch1][C][Cl][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C@H1][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][S][Ring2][Ring1][#Branch1] |
CCOc1nccc(C)c1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)[C@@H]1C | 989,019,374 | [C][C][O][C][=N][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][C][C][C@@H1][Branch1][C][C][O][Ring1][=Branch1][C@@H1][Ring1][=N][C] |
CC(C)(CC(F)(F)F)NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 | 859,122,477 | [C][C][Branch1][C][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N] |
CNS(=O)(=O)c1cccc(NC(=O)N[C@H](c2cnn(C)c2)C(C)C)c1C | 1,310,422,465 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C@H1][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2][C] |
CC(C)c1cnc(-c2ccc(NC(=O)C(=O)N3C[C@H](C)O[C@@H](CO)C3)cc2)o1 | 470,921,367 | [C][C][Branch1][C][C][C][=C][N][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][O][C@@H1][Branch1][Ring1][C][O][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2] |
C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CC1(C)C | 1,706,859,642 | [C][C@@H1][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][N][=C][Branch2][Ring1][=Branch1][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][C][Ring1][Ring1][N][Ring2][Ring1][C][C][C@H1][C][C][Ring1][Ring1][Branch1][C][C][C] |
CCn1ccnc1[C@@H]1OCC[C@@H]1NC(=O)c1csc2cc(Cl)cnc12 | 1,553,860,699 | [C][C][N][C][=C][N][=C][Ring1][Branch1][C@@H1][O][C][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch2][Ring1][#Branch1] |
C=CC[C@](C)(CO)CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 | 1,993,740,034 | [C][=C][C][C@][Branch1][C][C][Branch1][Ring1][C][O][C][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] |
CCC#CC[C@@H](O)c1cnn(-c2ccccc2)n1 | 2,053,774,260 | [C][C][C][#C][C][C@@H1][Branch1][C][O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O] |
CN1C[C@@H](NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)CCC1=O | 134,047,465 | [C][N][C][C@@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][O][N][=C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][P][=Ring1][#Branch2][C][C][C][Ring2][Ring1][#Branch2][=O] |
N#Cc1cccc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CCc3ccc[nH]3)CC2)c1Cl | 1,827,108,029 | [N][#C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][NH1][Ring1][Branch1][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=N][Cl] |
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O | 461,360,068 | [C][C@H1][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][N][Branch1][O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][Ring1][N][=O] |
COc1cc(CNC(=O)N[C@@H]2COc3cc(F)ccc3C2)cc(Cl)c1OC | 1,351,945,312 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C@@H1][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][#Branch1][O][C] |
CCc1ccc(CS(=O)(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)cc1 | 468,774,173 | [C][C][C][=C][C][=C][Branch2][Ring1][=C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][=Branch2] |
C=CC[C@@H](C)C(=O)N[C@@H](CC=C(C)C)C(=O)O | 2,304,037,076 | [C][=C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
C[C@@H]1[C@@H](NC(=O)[C@@]23CCC[C@@H]2C3)CCN1C(=O)c1cccc(-n2cccn2)n1 | 989,259,154 | [C][C@@H1][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C@@][C][C][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch1][C][C][N][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=N][Ring1][O] |
CCc1ccc(CC(=O)NC[C@@H](C)N(C)CC#Cc2ccccc2)nc1 | 1,674,996,173 | [C][C][C][=C][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][Branch1][C][C][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch2] |
C#CCCCCC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](C)C(C)(F)F)C1 | 1,495,360,753 | [C][#C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][F][F][C][Ring1][S] |
CC(C)OC[C@@H]1CN(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)CCO1 | 547,783,788 | [C][C][Branch1][C][C][O][C][C@@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][NH1][Ring1][O][C][C][O][Ring2][Ring1][Ring1] |
O=C(Nc1ccc(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)c(O)c1)c1ccc(Cl)c(Cl)c1 | 436,789,624 | [O][=C][Branch2][Ring2][#Branch2][N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=N][C][Branch1][C][O][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
COc1ccc(N(C)C(=O)c2cccc(CN=c3ccnc[nH]3)c2)cc1Cl | 544,558,571 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][C][N][=C][C][=C][N][=C][NH1][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2][Cl] |
Cc1cccc2c(=O)n(CC(=O)NCCN3CCCc4ccccc43)cnc12 | 47,925,364 | [C][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=N][C][Ring2][Ring1][O][=Ring2][Ring1][#Branch1] |
CCOc1ncc(C(=O)OC[C@H]2CN(c3ccccc3)CCO2)cc1Cl | 835,861,370 | [C][C][O][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C@H1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][N][C][=C][Ring2][Ring1][=Branch1][Cl] |
C=C(C)CNCC1(NC(=O)c2cccc(F)c2Cl)CCOCC1 | 1,717,267,513 | [C][=C][Branch1][C][C][C][N][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Cl][C][C][O][C][C][Ring1][P] |
COC(=O)c1ccc(S(=O)(=O)Nc2n[nH]c3cc(OC)ccc23)cc1F | 446,954,265 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][NH1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][O][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1][F] |
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC(OC(=O)N(C)C)CC1 | 836,404,664 | [C][C@@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][N][N][C][=Branch1][C][=O][N][C][C][C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][N] |
CCCCS(=O)(=O)N1CCC(C(=O)N(Cc2sccc2C)c2ccc(F)c(Cl)c2)CC1 | 195,621,148 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][S][C][=C][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][Branch2] |
Cc1ccc2cc(S(=O)(=O)N3CCC([C@H]4C[C@@H](N)CCO4)CC3)ccc2c1 | 573,310,703 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][N][C@H1][C][C@@H1][Branch1][C][N][C][C][O][Ring1][#Branch1][C][C][Ring1][=N][C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
O=CC1(Cc2cnc3c(c2)CCC3)CCOCC1 | 2,319,494,810 | [O][=C][C][Branch1][P][C][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][C][O][C][C][Ring1][S] |
Cc1cccc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1F | 983,849,479 | [C][C][=C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][C][C@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][O][Ring1][Branch1][=C][Ring2][Ring1][#Branch2][F] |
C[C@@H]1C[C@@H](CC(=O)Nc2n[nH]c(-c3cccc(-c4nn[nH]n4)c3)n2)CC(C)(C)C1 | 1,590,192,949 | [C][C@@H1][C][C@@H1][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][=N][NH1][C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][O][=N][Ring1][S][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][N] |
O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C[C@@H]21)[C@@H]1CC1(F)F | 1,788,125,392 | [O][=C][Branch2][Ring2][Branch1][N][C][C@@H1][O][C][C@@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][C@@H1][Ring1][#C][Ring2][Ring1][C][C@@H1][C][C][Ring1][Ring1][Branch1][C][F][F] |
COc1cccc(N2CCC(NC(=O)N[C@@H]3COCc4ccccc43)CC2)c1 | 1,261,373,917 | [C][O][C][=C][C][=C][C][Branch2][Ring1][P][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C@@H1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2] |
COc1c(F)cc(NC(=O)NCCc2ccc(NC(C)=O)cc2)c(OC)c1F | 455,883,067 | [C][O][C][=C][Branch1][C][F][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][F] |
COCCOc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)nn1 | 514,796,490 | [C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][N][=N][Ring2][Ring1][=Branch1] |
CO[C@H]1CCOc2c(NC(=O)C(=O)N3CCCO[C@@H](C(C)C)C3)cccc21 | 494,344,146 | [C][O][C@H1][C][C][O][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][=Branch2] |
CN1C/C(=C/c2ccc(-c3nc4ccccc4s3)o2)c2nc3ccccc3c(C(=O)O)c2C1 | 95,950,292 | [C][N][C][/C][=Branch2][Ring1][Branch2][=C][/C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][O][Ring1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=N][C][Ring2][Ring1][S] |
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(NC(C)=O)cc2)C1=O | 18,206,510 | [C][C][C@@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][=Branch2][=O] |
NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)Nc1cnn(-c2ccccn2)c1 | 1,565,860,468 | [N][C][=Branch1][C][=O][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][O] |
CC(C)C#CC(=O)NC[C@@]1(C)CCCN(C(=O)CCC(F)(F)F)C1 | 1,705,453,410 | [C][C][Branch1][C][C][C][#C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#C] |