smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
Cc1ccc([C@@H](CC(=O)O)NC(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)cc1 | 1,600,372,752 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=N][C][=C][Ring2][Ring1][N] |
C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 | 1,833,523,517 | [C][C@@H1][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C@][Branch2][Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=N][S][N][=Ring1][Branch1][C][C][O][Ring1][=N][C][Ring2][Ring1][Ring1] |
Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)CC(=O)Nc1ccccc1Cl | 916,141,451 | [C][C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][S][C][=Ring1][S][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCc3ccccc3C2)n1 | 1,871,507,476 | [C][C][N][=C][N][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][NH1][C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][O] |
CCc1c(NC(=O)C(=O)N[C@@H](C)C(C)(C)CN(C)C)cnn1-c1ccccc1 | 411,307,639 | [C][C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=N][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COC(=O)C[C@](C)(NC(=O)Nc1cccc(N2CCNC2=O)c1)c1ccncc1 | 513,555,677 | [C][O][C][=Branch1][C][=O][C][C@][Branch1][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][=C][Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] |
C=C(C)CCC(=O)NC1(CNC(=O)[C@H]2CC[C@H](OC)C2)CCCC1 | 1,746,233,805 | [C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][Ring1][O][C][C][Ring1][#Branch1][C][C][C][C][Ring1][S] |
C=CCCC(=O)NC[C@H](C)NCc1c(F)c(F)c(F)c(F)c1F | 1,714,215,280 | [C][=C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F] |
C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)C(C)(C)C)C[C@@H]1N1CCOCC1 | 1,752,351,052 | [C][C@@H1][C][N][Branch2][Ring1][P][C][=N][N][=C][Branch1][=Branch2][C@@H1][C][C][C][O][C][Ring1][=Branch1][N][Ring1][O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1] |
CCCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2c(c1)[C@@H](C1CCOCC1)CN2 | 1,795,938,698 | [C][C][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@H1][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][N][Ring1][N] |
C[C@H]1CN(Cc2ccccc2CNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 | 53,504,812 | [C][C@H1][C][N][Branch2][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring1][Branch2][C][C@H1][Branch1][C][C][O][Ring2][Ring1][O] |
C=CCCNC[C@@H]1CC[C@H](NC(=O)c2cc3ccccc3oc2=O)C1 | 1,332,330,994 | [C][=C][C][C][N][C][C@@H1][C][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][Ring2][Ring1][Ring1] |
CCOC(=O)c1ccc(C(=O)N=c2[nH]n([C@H](C)c3ccccc3)cc2C)nc1 | 505,732,149 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][=C][NH1][N][Branch1][=N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][N][=C][Ring2][Ring1][#Branch1] |
C=CCNC(=O)Cn1c(N2CC[C@H](c3ccccc3C)C2)nnc1[C@@]1(OCC)CCOC1 | 1,722,704,889 | [C][=C][C][N][C][=Branch1][C][=O][C][N][C][Branch2][Ring1][Ring1][N][C][C][C@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][N][=C][Ring1][P][C@@][Branch1][Ring2][O][C][C][C][C][O][C][Ring1][Branch2] |
C[C@H](Cc1nnc(-c2nn(C)c(=O)c3ccccc23)o1)NC(=O)c1ccccc1 | 1,322,394,376 | [C][C@H1][Branch2][Ring1][S][C][C][=N][N][=C][Branch2][Ring1][Branch1][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][O][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([C@@H]2CCCCN2C(=O)c2ccc3[nH]ccc3n2)CC1 | 1,828,570,155 | [O][=C][Branch1][S][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][Branch2][N][C][C][C][Branch2][Ring1][#Branch2][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=N][Ring1][=Branch2][C][C][Ring2][Ring1][#Branch1] |
C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1)Cn1cccn1 | 126,015,522 | [C][C@@H1][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][N][C][=C][C][=N][Ring1][Branch1] |
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnn2c1)c1ccc(C#Cc2ccccc2)cc1 | 1,801,042,371 | [O][=C][Branch2][Ring1][P][N][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=N][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CCN(CC)Cc1cn([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)nn1 | 881,014,410 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][N][Branch2][Ring1][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][N][=N][Ring2][Ring1][=Branch1] |
CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CC2(SC)CCN(C)CC2)C1 | 1,299,019,053 | [C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][N][Branch2][Ring2][Ring2][C][=N][N][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][Ring1][O][C][C][Branch1][Ring1][S][C][C][C][N][Branch1][C][C][C][C][Ring1][=Branch2][C][Ring2][Ring1][O] |
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC1(O)CCCCC1 | 610,112,983 | [O][=C][Branch2][Ring1][#Branch2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1] |
COCc1cc(Cl)cc(S(=O)(=O)Oc2ccc(NC(=O)OC)cc2)c1 | 810,041,483 | [C][O][C][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][C][=C][Ring1][O][=C][Ring2][Ring1][=Branch1] |
CCCn1ncnc1COC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 | 789,693,634 | [C][C][C][N][N][=C][N][=C][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][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] |
CC(C)[C@@H](C)[C@H](C)OCC#N | 1,888,814,697 | [C][C][Branch1][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][O][C][C][#N] |
O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)C1 | 1,118,747,665 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C@@H1][C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=C][C][Ring2][Ring1][=Branch1] |
CCOCCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2([S@@](C)=O)CCC2)CC1 | 1,503,224,569 | [C][C][O][C][C][N][C][C][N][Branch2][Ring1][S][C][=N][N][=C][Branch1][=Branch2][C@H1][C][C][C][C][O][Ring1][=Branch1][N][Ring1][O][C][C][Branch1][=Branch1][S@@][Branch1][C][C][=O][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch2] |
C=CCCCCN(C)C[C@@H]1[C@H]2C[C@H](N)C[C@H]21 | 1,980,528,699 | [C][=C][C][C][C][C][N][Branch1][C][C][C][C@@H1][C@H1][C][C@H1][Branch1][C][N][C][C@H1][Ring1][=Branch1][Ring1][#Branch1] |
COc1ccc([C@H](CNS(=O)(=O)CC[C@H]2CCOC2)N2CCCC2)cc1 | 293,907,452 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C@H1][Branch2][Ring1][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C@H1][C][C][O][C][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch2] |
Cc1cc([C@](C)(O)CNC(=O)c2ccccc2COC2CCOCC2)c(C)o1 | 127,425,978 | [C][C][=C][C][Branch2][Ring1][S][C@][Branch1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][C][O][Ring2][Ring1][O] |
COc1ccc(C2(CNCc3ccc(O[C@@H](C)C(=O)O)cc3)CCOCC2)cc1 | 902,180,129 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][Branch2][Ring1][Branch2][C][N][C][C][=C][C][=C][Branch1][O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][N][C][C][O][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
Cc1ncc(CNC(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)o1 | 1,648,842,673 | [C][C][=N][C][=C][Branch2][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][C][O][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][Ring1][S][O][Ring2][Ring1][O] |
C[C@@H](Cc1cc(Br)ccc1F)NC(=O)CSc1cccc[n+]1[O-] | 755,225,111 | [C][C@@H1][Branch1][=C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N+1][Ring1][=Branch1][O-1] |
CN(C)c1ncc(N2CCC(c3[nH]nc4c3[C@](O)(C(F)(F)F)CC(=O)N4)CC2)cn1 | 1,857,567,669 | [C][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring2][#Branch2][N][C][C][C][Branch2][Ring1][=C][C][NH1][N][=C][C][=Ring1][Branch1][C@][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][=Branch1][C][=O][N][Ring1][N][C][C][Ring2][Ring1][Branch1][C][=N][Ring2][Ring1][O] |
CS(=O)(=O)N1CCC(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 299,504,404 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][Ring2][Ring1][=Branch1] |
COC1(OC)CC2(CN(C(=O)C3(C(=O)O)CCCCC3)[C@@H]2c2ccccc2)C1 | 1,604,492,057 | [C][O][C][Branch1][Ring1][O][C][C][C][Branch2][Ring2][Ring2][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][=Branch2][C@@H1][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2] |
COc1ccc(CNC(=O)N[C@H](C2CC2)[C@H]2CCCOC2)cc1C#N | 921,574,545 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C@H1][C][C][C][O][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][#N] |
NC(=O)[C@H](N)CCC(=O)N1CCCC2(CCN(C(=O)c3ccncc3F)CC2)C1 | 1,809,823,222 | [N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][C][Ring2][Ring1][Ring2] |
Cn1c(C(=O)Nc2ccc(C3(NC(=O)C(F)(F)c4ccco4)CCC3)cc2)ccc1C(F)(F)F | 1,788,846,739 | [C][N][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][O][Ring1][Branch1][C][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][=N][C][Branch1][C][F][Branch1][C][F][F] |
Cc1cccc(-c2nc(CC(=O)O[C@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)cs2)c1 | 742,773,400 | [C][C][=C][C][=C][C][Branch2][Ring2][=N][C][=N][C][Branch2][Ring2][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][=C][S][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S] |
Cc1nc(NC(=O)N(C)CCOCCN)sc1Cc1cccc(Cl)c1 | 625,892,669 | [C][C][N][=C][Branch1][S][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][C][N][S][C][=Ring1][S][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
COc1ccc([C@H](NCc2ccc(OC)c(Br)c2)C(=O)O)cc1O | 1,607,235,186 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C@H1][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1][O] |
CC#CC[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1ccccc1 | 1,800,758,747 | [C][C][#C][C][C@H1][Branch2][Ring2][N][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1cnc([C@@H](C)NC(=O)C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)s1 | 582,745,192 | [C][C][=C][N][=C][Branch2][Ring2][=Branch1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][=N][S][Ring2][Ring1][#Branch2] |
Cn1ncc2c(O)nc(NC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)nc21 | 1,131,818,613 | [C][N][N][=C][C][=C][Branch1][C][O][N][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][N] |
CC(C)C#CC(=O)NCC[C@H]1CCCCN1C(=O)[C@@H]1CCC1(C)C | 1,721,639,541 | [C][C][Branch1][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@@H1][C][C][C][Ring1][Ring2][Branch1][C][C][C] |
CCS(=O)(=O)c1ccc(Cn2cc(Cl)cc(Br)c2=O)cc1 | 1,641,222,963 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Br][C][Ring1][Branch2][=O][C][=C][Ring1][S] |
CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=C/OC)C2)C1 | 1,837,674,277 | [C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C@@][Branch2][Ring1][=Branch1][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/O][C][C][Ring1][=C][C][Ring2][Ring1][Ring1] |
CCOC(=O)N1CCC[C@H](C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)C1 | 763,749,170 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch1] |
CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NC[C@](C)(O)c2cccs2)C1=O | 1,566,036,510 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][C][C][C][C@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][C][O][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][C][=O] |
CN(CC(C)(C)CNCc1ccncc1Cl)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 | 1,734,019,211 | [C][N][Branch2][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][C@@H1][O][C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring1][Branch2] |
CN(CC1CCOCC1)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1F | 831,531,040 | [C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CCO[C@@H]1C[C@](O)(CNC(=O)c2cccc(Nc3nccs3)c2)C1(C)C | 1,626,720,737 | [C][C][O][C@@H1][C][C@][Branch1][C][O][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][N][C][Ring2][Ring1][Branch1][Branch1][C][C][C] |
CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)Nc4cnccn4)C3)C2)no1 | 1,779,058,291 | [C][C][C][=C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][O][C@][Branch2][Ring1][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][S][C][Ring2][Ring1][Branch1][=N][O][Ring2][Ring1][N] |
O=C(COCc1nc2ccccc2s1)NCc1ccc(-c2nn[nH]n2)cc1F | 737,916,645 | [O][=C][Branch1][P][C][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][F] |
Cc1cc(NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c(=O)n(C)c1 | 483,952,156 | [C][C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring2][Ring1][O] |
Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@H]2C)n1 | 1,693,408,211 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring2][#Branch1][C][C][=N][N][=C][Branch2][Ring1][C][N][Branch1][C][C][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][N][Ring1][=C][C][C][N][C][C][C][C@H1][Ring1][Branch1][C][N][=Ring2][Ring1][=N] |
CC(C)[C@H](O)C(=O)Nc1ccc(C2(NC(=O)c3csc(N)n3)CCC2)cc1 | 1,786,188,292 | [C][C][Branch1][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1] |
CN1Cc2c(NC(=O)N3CCO[C@@H](c4ccc(F)cc4F)C3)cccc2C1=O | 515,402,496 | [C][N][C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring1][=C][C][=C][C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][#Branch2][=O] |
O=C(Nc1ccccc1I)N1CCN(C(=O)C2CC2)CC1 | 107,504,953 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] |
CC(=O)N1CC[C@@H](CN(C)C(=O)NCc2cc(N(C)C)nc3ccccc23)C1 | 120,859,312 | [C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][P][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][Ring2][Ring1][=Branch2] |
O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)c1cnc2[nH]nnc2c1 | 544,551,893 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=N][N][Ring1][Branch1][C@@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][N][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] |
C[C@@H](c1nnc(N2CC[C@@H](C)C2)n1C[C@@H]1CCOC1)N(C)Cc1ccccc1 | 1,516,265,566 | [C][C@@H1][Branch2][Ring1][N][C][=N][N][=C][Branch1][O][N][C][C][C@@H1][Branch1][C][C][C][Ring1][=Branch1][N][Ring1][O][C][C@@H1][C][C][O][C][Ring1][Branch1][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CN(CCc1ccccc1O)C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 | 542,338,838 | [C][N][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] |
Cc1ccsc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2cccc3ncccc23)CC1 | 1,824,471,568 | [C][C][C][=C][S][C][=Ring1][Branch1][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][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2] |
CC(C)c1c(C(=O)N2CCCc3cc(CN)ccc32)cnn1-c1ccccn1 | 844,206,250 | [C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][Ring1][C][N][=C][C][=C][Ring1][Branch2][Ring1][N][C][=N][N][Ring2][Ring1][Ring1][C][=C][C][=C][C][=N][Ring1][=Branch1] |
Cc1nn(C)cc1C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)C(C)(C)C1=O | 1,854,609,656 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] |
C[C@@H](CNC(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1)S(C)(=O)=O | 559,523,693 | [C][C@@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] |
Cc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c(O)n1 | 784,109,595 | [C][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][O][=N][Ring2][Ring1][#Branch2] |
O=C(Nc1ccc(C(=O)N2C[C@H]3C[C@]3(CO)C2)c(O)c1)c1cc(F)cc(F)c1 | 783,801,043 | [O][=C][Branch2][Ring2][C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][C@][Ring1][Ring1][Branch1][Ring1][C][O][C][Ring1][Branch2][C][Branch1][C][O][=C][Ring1][P][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] |
Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)COc2cccnc2)cc1 | 1,848,124,570 | [C][C][=C][C][=C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C@H1][C@@H1][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
O=C(COc1ccc(C(F)(F)F)cc1)NNc1cc(F)cc(Cl)c1 | 1,645,116,338 | [O][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)NC[C@@H](n1cncn1)C(F)(F)F | 633,199,156 | [O][=C][Branch2][Ring1][Branch1][N][C][C@@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][N][C][C@@H1][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F] |
COC1CC(C#N)(c2ccc([N+](=O)[O-])cc2)C1 | 1,950,587,301 | [C][O][C][C][C][Branch1][Ring1][C][#N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring1][#C] |
COc1ccc(NCc2cc(C(=O)O)oc2C)cc1S(=O)(=O)NC1CC1 | 1,599,596,862 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][=Ring1][Branch2][C][C][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] |
O=C(NC1(c2ccc(-c3nn[nH]n3)cc2)CCC1)[C@@H]1CCOC2(CCCC2)C1 | 1,606,641,367 | [O][=C][Branch2][Ring1][N][N][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][C][C][C][Ring1][#C][C@@H1][C][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2] |
CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1 | 509,285,754 | [C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][=C][=C][Ring2][Ring1][Branch2] |
FC(F)Oc1ccc(Cn2nc(Br)nc2Br)cc1 | 174,105,746 | [F][C][Branch1][C][F][O][C][=C][C][=C][Branch1][=N][C][N][N][=C][Branch1][C][Br][N][=C][Ring1][=Branch1][Br][C][=C][Ring1][=C] |
COC[C@@H](NC(=O)C(=O)Nc1ccc2nc(C)nn2c1)c1cccc(Cl)c1 | 515,927,123 | [C][O][C][C@@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CCOC(=O)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O | 1,794,265,552 | [C][C][O][C][=Branch1][C][=O][/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][=C][N][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CN(CCCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1CC1([S@@](C)=O)CC1 | 1,314,856,005 | [C][N][Branch1][N][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][N][C][C][Branch1][=Branch1][S@@][Branch1][C][C][=O][C][C][Ring1][=Branch1] |
C[C@H](CCc1ccccc1)NC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O | 563,504,950 | [C][C@H1][Branch1][O][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] |
Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)/C=C\c2scnc2C)cc1 | 777,100,901 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][/C][=C][\C][S][C][=N][C][=Ring1][Branch1][C][C][=C][Ring2][Ring1][#Branch2] |
CCS(=O)(=O)c1cccc(CC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 | 680,867,980 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][#Branch1] |
C[S@](=O)Cc1ccccc1NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C | 1,633,682,852 | [C][S@][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CC/C=C(\C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1coc(C(C)C)n1 | 1,794,286,970 | [C][C][/C][=C][Branch1][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][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2] |
CC1CCN(Cc2ccc(CNC(=O)NC[C@@H]3CCCCN(C)C3)cc2)CC1 | 623,407,432 | [C][C][C][C][N][Branch2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][N][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][O] |
Cc1cc(NC(=O)N2CCC[C@@H](c3ncc(C(=O)O)s3)C2)c(N(C)C)nn1 | 1,607,682,546 | [C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][#C][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][Ring1][Branch2][C][Ring1][=C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=N][Ring2][Ring1][#Branch2] |
CCN(c1nnnn1CC1CCC1)[C@H](C)C#N | 1,119,727,321 | [C][C][N][Branch1][#C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][Ring1][Ring2][C@H1][Branch1][C][C][C][#N] |
COCCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCO[C@@H](c2ccccc2C)C1 | 858,951,040 | [C][O][C][C][N][C][Branch1][O][C@@H1][C][C][C@H1][Branch1][C][C][O][Ring1][=Branch1][=N][N][=C][Ring1][O][N][C][C][O][C@@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
C=CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)[C@H]1c1cccnc1 | 1,802,497,599 | [C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][Ring1][=Branch2][C@H1][Ring2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1] |
Cc1ccc(-c2ccccc2C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](C)Cn3cccn3)CC2)cc1 | 1,830,671,633 | [C][C][=C][C][=C][Branch2][Ring2][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring1][S][C][=C][Ring2][Ring2][Ring2] |
CCC[C@]1(C)CCCN(c2nnc([C@H]3CCCN3C)n2C[C@@H]2CCOC2)C1 | 1,123,113,404 | [C][C][C][C@][Branch1][C][C][C][C][C][N][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][=Branch2][C@H1][C][C][C][N][Ring1][Branch1][C][N][Ring1][O][C][C@@H1][C][C][O][C][Ring1][Branch1][C][Ring2][Ring1][Branch2] |
O=C(N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21)N1CCOC[C@H]1c1ccco1 | 1,592,999,103 | [O][=C][Branch2][Ring1][Branch2][N][C@@H1][C][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][Ring1][=C][N][C][C][O][C][C@H1][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] |
Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)n1 | 1,332,055,381 | [C][C][=C][C][=C][C][Branch2][Ring1][P][N][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][C][Ring1][#Branch2][=O][=N][Ring2][Ring1][#Branch2] |
CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1nc(C(F)(F)F)cs1 | 1,609,279,857 | [C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][O][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2] |
Cc1ccc([C@@H](C)CNC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1 | 175,993,988 | [C][C][=C][C][=C][Branch2][Ring1][=N][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N][C][=C][Ring2][Ring1][Branch2] |
C=C(C)CN[C@H](C)[C@H]1CCN(C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 | 1,569,818,044 | [C][=C][Branch1][C][C][C][N][C@H1][Branch1][C][C][C@H1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][P] |
O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC([C@H]2CCCCN2C(=O)c2cnc3ccoc3c2)CC1 | 1,827,499,840 | [O][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][C][Branch2][Ring1][#Branch2][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][Ring2][Ring1][#Branch1] |
CCN(CCc1ccccn1)C(=O)C(=O)N1CCC[C@H](OCC(F)(F)F)C1 | 839,262,636 | [C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][N] |
CC(C)(N)c1cc(CCC#N)ccc1O | 238,148,147 | [C][C][Branch1][C][C][Branch1][C][N][C][=C][C][Branch1][Branch1][C][C][C][#N][=C][C][=C][Ring1][#Branch2][O] |