smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
COc1ccc(C(C)(C)C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1OC | 758,133,365 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][Branch2][O][C] |
Cc1ccc(S/C=C/C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2nc(C(C)C)cs2)C3)cc1 | 1,779,325,752 | [C][C][=C][C][=C][Branch2][Ring2][=C][S][/C][=C][/C][=Branch1][C][=O][N][C][C@@][C][C][C][O][C@@H1][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][S][Ring1][Branch2][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][P] |
Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(-n3cccn3)nc1)c(=O)n2C | 875,239,684 | [C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][N][=C][Ring1][O][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch2][C] |
O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)N1CCC[C@@H]1C(F)F | 557,762,578 | [O][=C][Branch2][Ring1][#Branch1][N][C][C@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][C@@H1][Ring1][Branch1][C][Branch1][C][F][F] |
O=C(NCCCOc1ccc(C(F)(F)F)cn1)NC[C@H](O)C1CCCCC1 | 479,802,579 | [O][=C][Branch2][Ring1][Branch2][N][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][N][C][C@H1][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1] |
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cccc(O)c1O | 916,340,935 | [O][=C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][N][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O] |
COc1ccc(F)cc1CN1CCN(C(=O)N[C@@H]2C[C@]2(C)c2ccccc2)CC1 | 608,450,896 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@][Ring1][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] |
O=C(CN(CCO)C1CCC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 | 439,287,326 | [O][=C][Branch1][=C][C][N][Branch1][Ring2][C][C][O][C][C][C][C][Ring1][Ring2][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1] |
Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NCCN2CCOC(C)(C)C2)c1 | 170,629,212 | [C][C][=C][C][=C][C][Branch2][Ring1][P][C][=N][NH1][C][=Branch1][C][=S][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][#Branch2] |
C=CCC[C@H](O)C1(OC)CC(CF)C1 | 2,241,403,968 | [C][=C][C][C][C@H1][Branch1][C][O][C][Branch1][Ring1][O][C][C][C][Branch1][Ring1][C][F][C][Ring1][Branch2] |
O=C(NCc1cccc(NC(=O)NCc2ccncc2)c1)NC[C@H]1CC[C@H](O)C1 | 276,448,142 | [O][=C][Branch2][Ring1][N][N][C][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][P][N][C][C@H1][C][C][C@H1][Branch1][C][O][C][Ring1][=Branch1] |
CNCCOc1cccc(C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)c1 | 884,131,539 | [C][N][C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C@H1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][N][=O][=C][Ring2][Ring1][=Branch1] |
CN(C)[C@H](CNC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccco1 | 47,778,104 | [C][N][Branch1][C][C][C@H1][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][N][C][=C][C][=C][O][Ring1][Branch1] |
CNC(=O)CCN(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 | 170,792,576 | [C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
O=C(NCCc1c(F)cccc1F)NC[C@H]1CCN(c2ccc(F)cc2)C1 | 66,345,506 | [O][=C][Branch1][S][N][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][C@H1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][N] |
O=C(NC[C@@H]1CCCN(CC2CC2)C1)C(=O)Nc1ccc(Cl)cc1Cl | 664,674,731 | [O][=C][Branch2][Ring1][Ring1][N][C][C@@H1][C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CCOC(=O)C1(CNC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)CC1 | 472,285,575 | [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][#Branch1] |
C[C@H]1CN(CCCNC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)CCCO1 | 572,675,417 | [C][C@H1][C][N][Branch2][Ring1][S][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=N][C][C][C][O][Ring2][Ring1][N] |
CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CCCOc3ccccc32)cc1)C1CCCCC1 | 803,676,167 | [C][N][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][C][C][C][C][C][C][Ring1][=Branch1] |
C[C@@H]1OC[C@]2(CC[C@H](CNC(=S)Nc3ccccc3C#N)O2)[C@@H]1C | 905,583,664 | [C][C@@H1][O][C][C@][Branch2][Ring1][N][C][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][O][Ring2][Ring1][C][C@@H1][Ring2][Ring1][=Branch1][C] |
N#C[C@@H]1CN(Cc2ccc3[nH]cnc3c2)CCO1 | 259,642,211 | [N][#C][C@@H1][C][N][Branch1][#C][C][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][O][Ring1][S] |
CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCOCCc2ccccc2)CCO1 | 1,503,781,278 | [C][N][C][=Branch1][C][=O][C@H1][C][N][Branch2][Ring1][#C][C][=N][N][=C][Branch1][Branch2][C@@H1][C][C][O][C][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring2][Ring1][N] |
Cc1cc(-c2noc(CSc3nnc(-c4cccc(Cl)c4)n3Cc3ccco3)n2)ccc1F | 904,397,471 | [C][C][=C][C][Branch2][Ring2][#Branch2][C][=N][O][C][Branch2][Ring1][#C][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Ring1][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring2][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][#C][F] |
CN(C)CC(C)(C)CNC(=S)N1CCC(COc2ccc(Cl)nc2)CC1 | 788,333,270 | [C][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=S][N][C][C][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][C][Ring1][#C] |
O=C(Nc1ccc(N2CCCC2=O)c(F)c1)C(=O)N(Cc1ccccc1)C1CC1 | 264,768,169 | [O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][Branch1][C][F][=C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1] |
CCCCNC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 | 126,721,441 | [C][C][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
COCCCN(Cc1ccncc1)C(=O)NCc1nc(-c2ccncc2)cs1 | 876,380,659 | [C][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O] |
O=C(c1c[nH]c2cccc(Cl)c12)N1CCC([C@H]2CCCCN2C(=O)c2cccs2)CC1 | 1,825,776,531 | [O][=C][Branch1][P][C][=C][NH1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch2][Ring1][#Branch1][N][C][C][C][Branch2][Ring1][Ring2][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][Ring1] |
Cc1ccc(S(=O)(=O)N(C)C[C@@H](C)C(=O)O)cc1S(=O)(=O)N1CCOCC1 | 479,178,770 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] |
O[C@H](CN1CCc2c(cnn2-c2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 | 1,582,809,729 | [O][C@H1][Branch2][Ring1][=Branch2][C][N][C][C][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][=C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][O] |
CCc1nc(CCn2c([C@@H](C)CC)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)no1 | 1,744,458,354 | [C][C][C][=N][C][Branch2][Ring2][Branch2][C][C][N][C][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][=N][N][=C][Ring1][=Branch2][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][C][C][Ring1][=C][=N][O][Ring2][Ring1][=C] |
CCO[C@@H](C)c1noc(CN(C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)n1 | 444,239,889 | [C][C][O][C@@H1][Branch1][C][C][C][=N][O][C][Branch2][Ring2][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][Ring1][=N][=N][Ring2][Ring1][Branch2] |
C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 | 1,507,966,079 | [C][=C][C][C][O][C][C][N][C][Branch1][Branch2][C@H1][C][C][C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][N][C][C][N][Branch1][#C][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][C][C][Ring1][=C] |
CC1(C)C(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@]3(C)C2)C1(C)C | 993,196,181 | [C][C][Branch1][C][C][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch2][Ring1][Ring1][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@][Ring1][#C][Branch1][C][C][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][=Branch2][Branch1][C][C][C] |
C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1[nH]nc3c(Cl)cccc13)C2 | 1,779,272,380 | [C][=C][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=C][C][C][=Branch1][C][=O][N][C][C@@][C][C][C][O][C@@H1][Ring1][=Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][NH1][N][=C][C][Branch1][C][Cl][=C][C][=C][C][=Ring1][#Branch2][Ring1][#Branch1][C][Ring2][Ring1][#Branch1] |
CN(C(=O)NC[C@@H](c1ccccc1Cl)N(C)C)[C@H](CO)Cc1ccccc1 | 663,455,827 | [C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Branch1][C][C][C][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCc3cc(-c4nn[nH]n4)ccc32)cc1 | 1,609,602,518 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][C][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][Ring1][=C][C][=C][Ring2][Ring1][Branch2] |
C[C@H]1CC(C(=O)OCC(=O)NCC2(c3ccccc3)CCOCC2)C[C@H](C)C1 | 780,233,405 | [C][C@H1][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][C][C@H1][Branch1][C][C][C][Ring2][Ring1][O] |
CCCCOc1ccc(C(=O)NNC(=O)N[C@@H](C)Cc2ccc(Br)cc2)cc1OC | 916,645,457 | [C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1][O][C] |
C[C@H](O)CC(C)(C)CNC(=O)C(=O)Nc1cccc(C2SCCS2)c1 | 266,610,324 | [C][C@H1][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][S][C][C][S][Ring1][Branch1][=C][Ring1][O] |
C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCC(CS(C)(=O)=O)CC1 | 295,745,108 | [C][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][O] |
N#C[C@H]1C[C@@H](NC(=O)[C@H]2CCCCC23CC3)C1 | 2,005,588,772 | [N][#C][C@H1][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][Ring1][C][Ring1][#C] |
Cn1cc(-c2cncc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)c2)cn1 | 1,320,635,943 | [C][N][C][=C][Branch2][Ring2][=Branch2][C][=C][N][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][O][C][C][Ring1][=C][=C][Ring2][Ring1][=Branch1][C][=N][Ring2][Ring1][O] |
COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2OC)c(OC)c1 | 1,622,673,684 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C@@H1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] |
Cc1ccc([C@@H](C)N(C)C(=O)c2cccc(NC(=O)c3ccccc3I)c2)cc1 | 603,755,150 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][C@@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=C][Ring1][S][C][=C][Ring2][Ring1][N] |
CC(C)(C)OC(=O)N1CC(c2cc(CN[C@@H]3CCOC4(CCC4)C3)on2)C1 | 877,088,632 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][N][C][C][=C][Branch2][Ring1][C][C][N][C@@H1][C][C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][O][N][=Ring1][S][C][Ring2][Ring1][Ring2] |
Cc1onc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(Cl)c2OCc2ccccc2)C3)c1C | 1,793,817,981 | [C][C][O][N][=C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][C][=Ring2][Ring1][P][C] |
CC(C)c1ccc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3cncc4cnccc34)CC2)cc1 | 1,829,595,811 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][N][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][O][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][P] |
CC(C)Oc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)N3CCCC3)cs2)cc1 | 410,182,088 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][S][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CC(C)[C@@H]1CN(c2nnc([C@H]3CCC(=O)NC3)n2Cc2ccccc2)CCO1 | 1,263,150,722 | [C][C][Branch1][C][C][C@@H1][C][N][Branch2][Ring1][=C][C][=N][N][=C][Branch1][N][C@H1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring2][Ring1][=Branch2] |
C[C@H](C(=O)NC[C@H](c1ccccc1)C(C)(C)CO)n1ccc(C(F)(F)F)n1 | 632,025,127 | [C][C@H1][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2] |
NC(=O)c1ccccc1NCC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 | 575,837,158 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][C][O][Ring1][Branch2] |
CCN(CC)[C@@H](c1cccc(C(F)(F)F)c1)c1nc(C2(NC(=O)OC(C)(C)C)CC2)no1 | 904,989,718 | [C][C][N][Branch1][Ring1][C][C][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][C][Branch2][Ring1][=Branch1][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][O][=N][O][Ring1][S] |
COc1ccccc1OC[C@H](C)CNC(=O)N1CCC[C@H](c2nccn2C)C1 | 365,600,455 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][=Branch2][C][=N][C][=C][N][Ring1][Branch1][C][C][Ring1][N] |
C=C(C)C[C@H](C)C(=O)NCCNC(=O)C1(Cc2ccccc2)CC1 | 1,686,719,684 | [C][=C][Branch1][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2] |
Cc1c(C(=O)NCC2(C)CCNCC2)nnn1-c1ccccc1Br | 1,343,467,042 | [C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][N][C][C][Ring1][#Branch1][N][=N][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] |
CC(C)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1C[C@@H]1C | 1,760,931,917 | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][#C][N][Ring2][Ring1][Ring2][C][C@@H1][C][C@@H1][Ring1][Ring1][C] |
O[C@@H](C1CCCCC1)[C@H](O)C#Cc1ccccc1 | 1,962,722,339 | [O][C@@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C@H1][Branch1][C][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1COC(=O)N1 | 495,734,047 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C@@H1][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1] |
C=C(Br)Cn1c(COCC)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 | 1,749,113,357 | [C][=C][Branch1][C][Br][C][N][C][Branch1][Branch1][C][O][C][C][=N][N][=C][Ring1][=Branch2][N][C][C][C][C@@H1][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=N] |
CCc1cc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C3CCC3)CC2)n(C)n1 | 1,826,247,958 | [C][C][C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring2][Ring1][C][N][Branch1][C][C][N][=Ring2][Ring1][#Branch2] |
CC(C)OC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCOC2)CC1 | 1,706,690,417 | [C][C][Branch1][C][C][O][C][C][C][N][Branch2][Ring1][=N][C][=N][N][=C][Branch1][O][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][N][Ring1][O][C][C@@H1][C][C][C][O][C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2] |
CC(=O)N1CCC(C(=O)N2C(=O)CCN([C@H]3CCS(=O)(=O)C3)c3ccccc32)CC1 | 1,853,697,015 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][N][Branch1][=C][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][O] |
CN1CCC(Oc2ccc(CNC(=O)C[C@](C)(O)c3ccccc3)cc2)CC1 | 285,681,663 | [C][N][C][C][C][Branch2][Ring2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C@][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][O] |
Cc1cc(C)n(Cc2cccc(C(=O)NCc3cc4c(nc3O)CCCC4)c2)n1 | 1,454,993,890 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring2][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][N][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][=Branch2][=C][Ring2][Ring1][Branch1][N][=Ring2][Ring1][N] |
O=C(/C=C/c1ccco1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3c(Cl)cccc3s2)[nH]n1 | 1,815,948,809 | [O][=C][Branch1][#Branch2][/C][=C][/C][=C][C][=C][O][Ring1][Branch1][N][C][C][=C][Branch2][Ring1][=N][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][NH1][N][=Ring2][Ring1][#Branch1] |
CCOC(=O)C(CC)(CC)NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 | 561,991,599 | [C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][S][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] |
C[C@H](CN1CCOCC1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 | 544,035,146 | [C][C@H1][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][Ring2] |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCO[C@H]([C@@H](C)O)C1 | 331,887,105 | [C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C][Ring1][=Branch2] |
CO[C@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)C1 | 1,552,102,808 | [C][O][C@H1][C][C@@H1][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][N][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][#Branch2] |
CS[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)C[C@@H]1N(C)C | 534,316,274 | [C][S][C@@H1][C][N][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][C@@H1][Ring2][Ring1][Branch1][N][Branch1][C][C][C] |
COC(=O)c1cc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc([N+](=O)[O-])c1 | 744,045,841 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][#C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][#Branch2] |
Cc1ccc(F)cc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@]2(F)CCCCC2(F)F)[nH]n1 | 1,814,577,582 | [C][C][=C][C][=C][Branch1][C][F][C][=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@][Branch1][C][F][C][C][C][C][C][Ring1][#Branch1][Branch1][C][F][F][NH1][N][=Ring2][Ring1][=Branch1] |
C=CCCCC(=O)N[C@H](C)CNC(=O)c1cccc2c1O[C@@H](C)C2 | 1,298,693,432 | [C][=C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][Branch1][C][C][C][Ring1][=Branch1] |
CC[C@@H](C(=O)OC)N(C(=O)c1cc2c(cc1Cl)NC(=O)C2)c1ccccc1 | 1,265,148,776 | [C][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][N][C][=Branch1][C][=O][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1ccc(-c2n[nH]cc2-c2nc(CC(=O)Nc3ccccc3)no2)cc1 | 194,882,740 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][NH1][C][=C][Ring1][Branch1][C][=N][C][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][#C][C][=C][Ring2][Ring1][#Branch2] |
O=C(Cc1csc(N2CCCC2=O)n1)Oc1cc2ccccc2cc1C(=O)O | 1,610,676,514 | [O][=C][Branch2][Ring1][Ring1][C][C][=C][S][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=N][Ring1][O][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O] |
CCc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS(=O)CC2)cc1 | 1,513,662,925 | [C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][N][C][Branch1][=C][C@H1][Branch1][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][N][=C][Ring1][N][N][C][C][S][=Branch1][C][=O][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][O] |
Nc1ccc(C(=O)NN=Cc2cccc(Br)n2)cc1 | 777,879,517 | [N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][N][=C][C][=C][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] |
CC[C@@H](C)C[C@@H](NC(=O)Cc1c(F)ccc(Br)c1F)C(=O)O | 1,594,943,008 | [C][C][C@@H1][Branch1][C][C][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][Branch1][C][Br][=C][Ring1][Branch2][F][C][=Branch1][C][=O][O] |
CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@]2(C(=O)O)CCN(Cc3ccccc3)C2)CCCOC1 | 2,059,705,729 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][C][C][O][C][Ring2][Ring1][Branch2] |
Cc1ccc([C@H]2OCCC[C@H]2NC(=O)Cc2nnc(-c3ccccc3)n2C)cc1 | 531,064,102 | [C][C][=C][C][=C][Branch2][Ring1][P][C@H1][O][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][N] |
Cc1ccc(CNC(=O)[C@H](C)OC(=O)c2cc(Br)nn2C)cc1 | 758,816,505 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=N][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch1] |
CC(C)NC(=O)Nc1cccc(C(=O)N(C)[C@H](c2ccccc2)c2nc[nH]n2)c1 | 1,468,828,662 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][NH1][N][=Ring1][Branch1][=C][Ring2][Ring1][=Branch1] |
CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 | 1,076,187,215 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch1][#Branch2][C][C][N][C][=N][C][=N][Ring1][Branch1][C][C@H1][Ring1][N][Ring1][#C] |
CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCN2)n1CC1CC(C)(C)C1 | 1,577,728,855 | [C][C][N][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][N][=C][Branch1][Branch2][C@@H1][C][C][C][N][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1] |
Cc1ncc(C(=O)O[C@@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c(C2CC2)n1 | 1,607,979,114 | [C][C][=N][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][O] |
CCCNC(=O)c1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)cc1Cl | 512,728,212 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=C][S][C][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1][Cl] |
CCC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1)OC | 1,709,504,724 | [C][C][C][C@@H1][Branch2][Ring2][Branch2][C][N][C][Branch1][=C][C@@H1][Branch1][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][N][=C][Ring1][N][N][C][C@H1][C][C][C@@H1][Branch1][Ring1][O][C][C@H1][Ring1][#Branch1][C][Ring1][#Branch2][O][C] |
O=C(Nc1ccccc1C(=O)N1CCCC1)N[C@H]1CCCCCC[C@@H]1C(=O)O | 833,160,315 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][C@H1][C][C][C][C][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][O] |
CN(C)[C@@H]1CC[C@H]2CN(C(=O)NCc3ccc(N4CCCCC4=O)cc3)C[C@H]2C1 | 1,224,686,774 | [C][N][Branch1][C][C][C@@H1][C][C][C@H1][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][C][C@H1][Ring2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2] |
C#CCN1CCC[C@@H]([C@H](C)NC(=O)Cc2c(C)[nH]c3ccccc23)C1 | 1,731,556,939 | [C][#C][C][N][C][C][C][C@@H1][Branch2][Ring1][O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][=Branch1] |
C=CC(=O)N(CC)CC(=O)N[C@H](CC(=O)OC)c1ccc(Br)cc1 | 900,029,432 | [C][=C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F | 820,497,084 | [C][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][C][=Branch1][C][=O][C@H1][C][N][C][=Branch1][C][=O][C][C@@H1][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)[C@@H]1N(C)C[C@@]12C[C@H](NC(=O)c1csc(N3CCCCC3)n1)[C@H](O)C2 | 1,550,477,025 | [C][C][Branch1][C][C][C@@H1][N][Branch1][C][C][C][C@@][Ring1][Branch1][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O][C@H1][Branch1][C][O][C][Ring2][Ring1][Ring2] |
COCC1(C(=O)OCCc2cccs2)CCN(C(=O)OC(C)(C)C)CC1 | 796,357,251 | [C][O][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][S][Ring1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][#Branch1] |
NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccccc3)CCO2)C1 | 1,830,674,847 | [N][C][C][=Branch1][C][=O][N][C][C][O][C][C@][Branch2][Ring1][S][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch2] |
COc1ccc([C@@H](CCO)NCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1 | 182,406,937 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C@@H1][Branch1][Ring2][C][C][O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch2] |
C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 | 550,692,038 | [C][C@@H1][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C] |
COCC[C@](C)(O)Cn1c(C2CC2)nnc1N1CCN(C2CCCC2)CC1 | 1,555,425,171 | [C][O][C][C][C@][Branch1][C][C][Branch1][C][O][C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][=C][Ring1][Branch2][N][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][O] |