smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
Cc1ccc(-n2cnnn2)cc1NC(=O)c1cccc(N2CCNC2=O)c1C | 173,110,267 | [C][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][=C][Ring1][N][C] |
C=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-n4cccn4)cc3Cl)[C@H]2c2cccnc2)C1 | 1,802,416,368 | [C][=C][C][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][Cl][C@H1][Ring2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][P] |
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC([C@@H]2OCC[C@H]2N)CC1 | 563,117,185 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C@@H1][O][C][C][C@H1][Ring1][Branch1][N][C][C][Ring1][N] |
CCc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)cc1Cl | 560,774,545 | [C][C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][Cl] |
CCOC(=O)N1CCC[C@H]([C@H](C)NCCC(=O)NCC(=O)c2ccccc2)C1 | 776,830,055 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][#Branch2][C@H1][Branch1][C][C][N][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1] |
COc1ccc(/C=C/C(=O)N2CCC3(CCCN(C(=O)/C=C/c4ccc(F)cc4F)C3)CC2)c(F)c1 | 1,806,470,829 | [C][O][C][=C][C][=C][Branch2][Ring2][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring2][C] |
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC[C@@H]3C[C@H]23)cc1 | 827,164,741 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C@@H1][C][C@H1][Ring1][#Branch1][Ring1][Ring1][C][=C][Ring2][Ring1][Branch1] |
C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)C1 | 498,405,981 | [C][C@H1][C][C@@H1][Branch1][C][C][C][N][Branch2][Ring1][=N][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][=Branch2] |
CCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NCC(C)(C)c1cccnc1 | 422,538,319 | [C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1csc([N+](=O)[O-])c1 | 51,672,700 | [C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][Branch2] |
N#Cc1cncc(CNC[C@@H]2C[C@@H]3CCC[C@@H]32)c1 | 2,028,772,492 | [N][#C][C][=C][N][=C][C][Branch1][#C][C][N][C][C@@H1][C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring1][#Branch1][=C][Ring1][S] |
C#C[C@@H](c1ccccc1N)N1CCCCC1 | 2,244,197,517 | [C][#C][C@@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][C][C][C][C][C][Ring1][=Branch1] |
CCC(CC)(CC)[C@@H](O)C[C@@H]1CO1 | 704,523,344 | [C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C@@H1][Branch1][C][O][C][C@@H1][C][O][Ring1][Ring1] |
C=C[C@](O)(CC(=O)OCC)c1ccccc1 | 85,071,885 | [C][=C][C@][Branch1][C][O][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)c3ccccc3F)CC2)c(C(F)(F)F)c1 | 727,438,113 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][S][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch2] |
CC(C)C[C@@H]1C[C@@H](NS(=O)(=O)c2cc3ccccc3cc2C(=O)O)CCO1 | 1,603,784,320 | [C][C][Branch1][C][C][C][C@@H1][C][C@@H1][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][O][Ring2][Ring1][#Branch1] |
CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 | 1,162,686,329 | [C][C][N][C][=Branch1][C][=O][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][O][C][=C][Ring1][=C] |
CNC(=O)CCOc1ccc(NC(=O)N2CCC[C@H](CC(F)(F)F)C2)cc1 | 421,061,065 | [C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O][C][=C][Ring2][Ring1][Ring2] |
COC(=O)C[C@H]1CN(C(=O)C[C@H](NC(N)=O)c2ccccc2)c2ccccc21 | 741,699,240 | [C][O][C][=Branch1][C][=O][C][C@H1][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] |
CCc1cc(C)c(C(=O)N2CC[C@H](CN(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)o1 | 988,138,448 | [C][C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C@@H1][O][C@H1][Ring1][Branch1][C@H1][C][C@@H1][Ring1][=Branch1][Ring1][Ring1][C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch2] |
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(Cl)cc1I | 2,365,503,479 | [C][O][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][I] |
CN(CCOCc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 | 268,184,290 | [C][N][Branch1][=N][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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] |
C[C@@H](C1CC1)N(C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)C1CC1 | 520,020,842 | [C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1] |
CC(C)Sc1ccc(C(=O)O[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 | 806,122,907 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C@H1][Branch1][=C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch1] |
Cc1cccc(OCCCNC(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 | 767,936,666 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][O][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C@@H1][C][C][C][C@@H1][Ring1][Branch1][O][C][C][Ring1][N][=C][Ring2][Ring1][#Branch2] |
COCCCN(C)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C)C(=O)C1 | 1,771,040,622 | [C][O][C][C][C][N][Branch1][C][C][C][C][N][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][N][=C][Ring1][=C][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][Branch2] |
CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCCn3nc(C(C)C)nc31)CC2 | 129,387,400 | [C][C][Branch1][C][C][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C@@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C@H1][C][C][C][N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][Branch2][Ring1][N][C][C][Ring2][Ring1][#Branch1] |
CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCO1 | 671,387,017 | [C][N][C][=Branch1][C][=O][C@H1][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][C][O][Ring2][Ring1][=Branch2] |
CCc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)n(C)n1 | 116,082,481 | [C][C][C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=C][=O][N][Branch1][C][C][N][=Ring2][Ring1][O] |
CC(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(O)c1 | 1,359,640,892 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][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][Branch1][C][C][C@H1][Branch1][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
COC(=O)C[C@@](C)(NCc1ccc(N(C)C)cc1)c1ccc(Br)cc1 | 796,497,646 | [C][O][C][=Branch1][C][=O][C][C@@][Branch1][C][C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CCC(CC)NC(=O)c1nnc(N(C)CC2CC(F)C2)n1C[C@H]1CCS(=O)(=O)C1 | 1,762,196,203 | [C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=N][N][=C][Branch1][#C][N][Branch1][C][C][C][C][C][C][Branch1][C][F][C][Ring1][Branch1][N][Ring1][=N][C][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1] |
Cc1c(C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)cccc1N1CCNC1=O | 462,764,977 | [C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C@H1][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N][C][=C][C][=C][Ring2][Ring1][=Branch1][N][C][C][N][C][Ring1][Branch1][=O] |
COC(=O)[C@@H](CS(=O)(=O)N1CC(C)(CSC)C1)NC(=O)OCc1ccccc1 | 2,258,170,230 | [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][Ring2][C][S][C][C][Ring1][Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1nc(NC(=O)OC(C)(C)C)sc1[C@@H](N)C#C[C@H]1[C@@H]2COC[C@H]12 | 2,302,657,300 | [C][C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][S][C][=Ring1][=N][C@@H1][Branch1][C][N][C][#C][C@H1][C@@H1][C][O][C][C@H1][Ring1][=Branch1][Ring1][Branch1] |
CN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 | 1,772,887,897 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][N][C][C@@H1][C][C][C][=Branch1][C][=O][N][C@H1][Ring1][#Branch1][C][Ring1][#Branch2] |
CC(C)C(=O)NC1CCN(C(=O)C(=O)N(Cc2cccc(F)c2)C2CC2)CC1 | 1,348,142,834 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][=Branch1] |
CCOC(=O)Nc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c(Cl)c1 | 935,979,909 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][O][N][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1][C][Ring1][O][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2] |
O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCc2c(Br)cccc21 | 1,585,528,745 | [O][=C][Branch2][Ring1][O][C][=N][N][Branch1][=C][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Ring1][=C][N][C][C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2] |
COc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1-n1nnnc1C | 522,578,368 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C@@H1][Branch1][Branch1][C][Ring1][=Branch1][=O][C@H1][C][=C][C@H1][Ring1][Branch2][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][C] |
NS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3COCCN3C3CCCC3)CC2)cc1 | 483,637,019 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CCCN1CCC(N(C)c2nnc(CC)n2C[C@H]2CCOC[C@@H]2OC)CC1 | 1,695,382,133 | [C][C][C][N][C][C][C][Branch2][Ring1][O][N][Branch1][C][C][C][=N][N][=C][Branch1][Ring1][C][C][N][Ring1][#Branch1][C][C@H1][C][C][O][C][C@@H1][Ring1][=Branch1][O][C][C][C][Ring2][Ring1][Branch2] |
CCn1cnnc1-c1ccccc1NC(=O)C(=O)N[C@H](C)c1cc(C)cc(C)c1 | 185,789,675 | [C][C][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2] |
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CC[C@H](c3nc(C)no3)C2)CC1=O | 329,061,538 | [C][C][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C@H1][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][Ring1][O][C][C][Ring2][Ring1][C][=O] |
COCCN(CCOC)S(=O)(=O)NCc1ccc(-c2ccco2)cc1F | 447,926,130 | [C][O][C][C][N][Branch1][Branch1][C][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][O][F] |
C=C[C@@H](CC)CC(=O)N[C@@]1(C)CCN(C(=O)c2cc(CC)on2)C1 | 1,299,566,449 | [C][=C][C@@H1][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][C][O][N][=Ring1][#Branch1][C][Ring1][#C] |
C[C@H]1CCCN(C(=O)C(=O)Nc2cccc3c2CN(c2nccs2)C3)[C@@H]1C | 372,863,514 | [C][C@H1][C][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][#Branch2][C@@H1][Ring2][Ring1][=Branch2][C] |
C[C@@H](Oc1cccc2ccccc12)C(=O)NCCNC(=O)c1ccccc1F | 194,118,017 | [C][C@@H1][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
Cc1cc(NC(=O)CN2CCC[C@@H](n3ccnc3)C2)ccc1Br | 591,082,550 | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][C][C][C@@H1][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][O][=C][C][=C][Ring2][Ring1][Branch1][Br] |
CC(C)(C)OC(=O)N1CCC[C@@H](NCc2nnc3ccc(C(F)(F)F)cn23)C1 | 779,002,173 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][#Branch2][N][C][C][=N][N][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][N][Ring1][=N][Ring1][#Branch2][C][Ring2][Ring1][Branch1] |
Ic1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)nc1 | 558,520,754 | [I][C][=C][C][=C][Branch2][Ring1][Ring2][N][C@@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][N][=C][Ring2][Ring1][Ring1] |
Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1ccc(=O)n(C)c1 | 679,416,367 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2] |
O=C(/C=C\c1ccncn1)Nc1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1 | 826,403,434 | [O][=C][Branch1][O][/C][=C][\C][=C][C][=N][C][=N][Ring1][=Branch1][N][C][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][=N][NH1][N][=Ring1][Branch1][N][=Ring1][P] |
C#CCN(C(=O)OC(C)(C)C)[C@H](CN)c1cc(Cl)cnc1OC | 1,901,595,534 | [C][#C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][Ring1][C][N][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][O][C] |
O=C(N[C@H]1CCN(c2ccccc2)C1=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O | 805,640,499 | [O][=C][Branch2][Ring1][Ring2][N][C@H1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] |
CCC[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[nH]n2)c1 | 1,590,550,734 | [C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][S] |
CCN(CC)S(=O)(=O)NC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C | 1,322,246,156 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][C] |
CC[C@@H](CN)CNc1nc(Cl)ccc1C#N | 1,989,746,986 | [C][C][C@@H1][Branch1][Ring1][C][N][C][N][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][#N] |
COc1ccc([C@]2(C)CCC[C@H](CI)O2)c(C)c1 | 2,256,171,305 | [C][O][C][=C][C][=C][Branch1][S][C@][Branch1][C][C][C][C][C][C@H1][Branch1][Ring1][C][I][O][Ring1][=Branch2][C][Branch1][C][C][=C][Ring1][S] |
CC(C)Oc1cccc(CN(C)c2nnc([C@H]3NC(=O)c4ccccc43)n2C)c1 | 1,519,792,509 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][N][Branch1][C][C][C][=N][N][=C][Branch1][P][C@H1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][Ring1][#C][C][=C][Ring2][Ring1][=Branch2] |
CC(=O)N(c1ccc(NC(=O)c2nnn(C3CC3)c2C(F)(F)F)cc1)C1CC1 | 647,483,129 | [C][C][=Branch1][C][=O][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][=N][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch1][C][C][C][Ring1][Ring1] |
O=C(CCCc1ccc(C(F)(F)F)cc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ccoc2cn1 | 1,800,868,875 | [O][=C][Branch2][Ring1][=Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][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][O][C][=Ring1][Branch1][C][=N][Ring1][=Branch2] |
C[C@@H]1CCN(C(=O)CCCCOc2ccc(Br)cc2)C[C@@H]1CN | 423,998,142 | [C][C@@H1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C@@H1][Ring2][Ring1][Ring2][C][N] |
C#C[C@H]1CCCCN1C(=O)[C@H]1C(C)(C)C1(F)F | 1,948,135,924 | [C][#C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch1][Branch1][C][F][F] |
CCC1(Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC(C)(C#N)CC2)CCOCC1 | 1,694,483,487 | [C][C][C][Branch2][Ring2][Branch2][C][N][C][Branch1][#C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][N][C][C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][C][Ring1][=Branch2][C][C][O][C][C][Ring2][Ring1][#C] |
C=CCCC(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cn3cc(F)ccc3n2)n[nH]1 | 1,819,079,020 | [C][=C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][C][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=N][NH1][Ring2][Ring1][C] |
O=C(NCc1ccco1)c1cccc(CNc2nc3ccccn3c2[N+](=O)[O-])c1 | 52,453,905 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring2] |
COc1ccc(NC(=O)C[C@@H](C)N[C@@H](CO)CC2CCCCC2)c(OC)c1 | 417,375,164 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][N][C@@H1][Branch1][Ring1][C][O][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2] |
C[C@H](O)c1ccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CC2CC2)cc1 | 1,347,808,709 | [C][C@H1][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=N][N][=C][Branch2][Ring1][C][N][C][C][C@@H1][N][C][=Branch1][C][=O][O][C][C@H1][Ring1][#Branch1][C][Ring1][O][N][Ring1][S][C][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2] |
COc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c(OC)n1 | 611,367,737 | [C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][Ring1][=C][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][O] |
COc1cccc([C@@H](C)CC(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cc[nH]n2)c1 | 995,825,008 | [C][O][C][=C][C][=C][C][Branch2][Ring1][P][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][NH1][N][=Ring1][Branch1][=C][Ring2][Ring1][#Branch2] |
COC(=O)c1ccc(N2CCN([C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)[C@H](C)C2)cc1 | 506,061,079 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][C][N][Branch2][Ring1][#Branch1][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C@H1][Branch1][C][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
Cc1ccc(OC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1C | 609,673,360 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][O][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2][C] |
C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2C[C@@H]3CCC[C@@H](N)[C@H]3C2)cc1 | 516,016,466 | [C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C@@H1][Branch1][C][N][C@H1][Ring1][#Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] |
N#CC[C@@H]1CCCC[C@@H]1F | 44,370,876 | [N][#C][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][F] |
C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3nc1O)C2 | 1,799,292,967 | [C][C@H1][Branch1][Ring2][N][C][=O][C][=Branch1][C][=O][N][C@@H1][C@H1][C][O][C][C@@H1][Ring1][=Branch1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][O][C][Ring2][Ring1][Branch1] |
Cc1nc(C)c(S(=O)(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)s1 | 179,492,250 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][=C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][#C][S][Ring2][Ring1][Branch2] |
C[C@H](CCCN)NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 | 418,684,061 | [C][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CCOCCOCc1cccc(NC(=O)C(=O)NCc2cn3ccccc3n2)c1 | 298,969,105 | [C][C][O][C][C][O][C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] |
CCOC(=O)c1nn(-c2ccccc2)cc1CNc1cccc2c1CN(C)C2=O | 1,659,441,286 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][Ring1][=Branch1][=O] |
CN(CCN(C)C(=O)C(=O)N1CCC(C(F)(F)F)CC1)C(=O)OC(C)(C)C | 1,261,298,166 | [C][N][Branch2][Ring1][P][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[C@H](CNc2ccccn2)C1 | 171,646,372 | [C][C@@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][N][C][C][C@H1][Branch1][O][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N] |
CCOc1ccc(-n2c(S[C@H](C)C(=O)N(CC)C3CCCCC3)nnc2-c2ccncc2)cc1 | 10,249,907 | [C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][Branch2][Ring1][#Branch1][S][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring2][Ring1][Ring1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#C] |
CCC1(Cn2cc(C(=O)Nc3ccc(Cl)c(C(=O)OC)c3)nn2)COC1 | 596,726,930 | [C][C][C][Branch2][Ring2][Branch1][C][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][O][N][=N][Ring2][Ring1][Ring1][C][O][C][Ring2][Ring1][Branch2] |
C#Cc1cncc(C(=O)N[C@@H](C)CNC(=O)CC2CCCCCC2)c1 | 1,354,779,011 | [C][#C][C][=C][N][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1] |
Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NC[C@](C)(O)CN1CCOCC1 | 480,494,116 | [C][C][=C][C][Branch1][N][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][=C][C][=C][Ring1][=N][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1] |
COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc3oc(O)nc3c2)cc1OC | 1,177,219,967 | [C][O][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][C][Branch1][C][O][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch2][O][C] |
O=C1CC[C@@H](C(=O)NNC(=O)NCCNC(=O)c2ccccc2)N1 | 858,130,679 | [O][=C][C][C][C@@H1][Branch2][Ring1][O][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch1] |
CN1C(=O)CCc2cc(C(=O)COC(=O)C3(c4cccc(F)c4)CC3)ccc21 | 753,369,999 | [C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][O] |
Clc1cc(CN2CC[C@]3(C[C@@H](Br)CO3)C2)c(Cl)s1 | 2,082,004,998 | [Cl][C][=C][C][Branch2][Ring1][Ring2][C][N][C][C][C@][Branch1][#Branch2][C][C@@H1][Branch1][C][Br][C][O][Ring1][=Branch1][C][Ring1][#Branch2][=C][Branch1][C][Cl][S][Ring1][P] |
C=C(C)CN1CC[C@@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 | 1,483,849,111 | [C][=C][Branch1][C][C][C][N][C][C][C@@][Branch2][Ring1][Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][C][C][C][C][Ring1][S][C][Ring2][Ring1][Ring2] |
CCOCc1nnc(N2CCC(Cn3ccnn3)CC2)n1C[C@@H](C)SC | 1,710,685,772 | [C][C][O][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][C][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][N][N][Ring1][P][C][C@@H1][Branch1][C][C][S][C] |
CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)c5cnc(O)[nH]5)CCO4)C3)CC2)CC1 | 1,781,107,829 | [C][N][C][C][N][Branch2][Ring2][S][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch2][Ring1][Branch2][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][O][NH1][Ring1][=Branch1][C][C][O][Ring1][=C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CN(CCOc1ccc(F)cc1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 | 27,963,718 | [C][N][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N] |
CCn1cc(CN(C(C)C)S(=O)(=O)c2cc(Cl)c(OC)cc2C)cn1 | 651,872,891 | [C][C][N][C][=C][Branch2][Ring1][P][C][N][Branch1][=Branch1][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][C][C][=N][Ring2][Ring1][#Branch1] |
CC(C)[C@@H](F)C(=O)N1C[C@H](NCc2ccc(-c3nn[nH]n3)c(F)c2)C(C)(C)C1 | 1,589,461,576 | [C][C][Branch1][C][C][C@@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][N][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch1] |
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)CC2)cc1 | 523,793,054 | [C][C][=C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][=C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][S] |
C[C@H]1CN(c2cc(F)cc(NC(=O)NC[C@@H]3CCC[C@@H](N)C3)c2)C[C@@H](C)O1 | 581,257,184 | [C][C@H1][C][N][Branch2][Ring2][C][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C@@H1][Branch1][C][N][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][C@@H1][Branch1][C][C][O][Ring2][Ring1][#Branch2] |
O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F | 1,463,663,278 | [O][=C][Branch1][=Branch2][N][C@@H1][C][C][O][C][Ring1][Branch1][O][C][C@H1][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][O][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][F] |
CC[C@H]1CCCN1c1nnc(CCc2ccccc2)n1CCCN1CCOC1=O | 1,514,074,310 | [C][C][C@H1][C][C][C][N][Ring1][Branch1][C][=N][N][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][C][C][N][C][C][O][C][Ring1][Branch1][=O] |