smiles large_stringlengths 5 271 | zinc_id int64 213 2.38B | SELFIES stringlengths 13 1.1k |
|---|---|---|
O=C(O)C[C@H]1CN(Cc2ccoc2)CC12CC2 | 2,251,454,560 | [O][=C][Branch1][C][O][C][C@H1][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][O][C][C][Ring1][Ring1] |
CCOC(=O)[C@H](NC(=O)c1cnn(C)c1Cl)C1CCCCCC1 | 847,251,791 | [C][C][O][C][=Branch1][C][=O][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Cl][C][C][C][C][C][C][C][Ring1][#Branch1] |
CCn1nncc1C(=O)N[C@H](C)[C@@H]1CCCN(CCCC(C)C)C1 | 1,418,174,370 | [C][C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][C][C][C][N][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][Ring1][N] |
OCCCCCCCOC[C@@H]1NC[C@H]2C[C@@H]21 | 1,992,535,844 | [O][C][C][C][C][C][C][C][O][C][C@@H1][N][C][C@H1][C][C@@H1][Ring1][Ring1][Ring1][=Branch1] |
CN=c1[nH]c(N(C)C)nc2c1[C@@H](C)C[C@@H](C)C2 | 1,916,021,560 | [C][N][=C][NH1][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][C@@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][C][Ring1][Branch2] |
O=C(N[C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)N1CCS(=O)(=O)CCO1 | 1,679,955,449 | [O][=C][Branch2][Ring1][S][N][C@H1][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][O][Ring1][=Branch2] |
CCN(CCCNC(=O)[C@H]1CCC(=O)N1C)Cc1ncnn1C | 1,566,562,652 | [C][C][N][Branch2][Ring1][Ring2][C][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=N][C][=N][N][Ring1][Branch1][C] |
CC(C)c1cccc(C(=O)N[C@@H](C)CN(C)C(=O)C[C@@H]2CCOC2)c1 | 1,412,473,354 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@@H1][C][C][O][C][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] |
C#CCN(c1nnc(CC(C)C)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 | 1,539,218,563 | [C][#C][C][N][Branch2][Ring1][S][C][=N][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Ring1][=Branch2][C][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1] |
CNC(=O)Nc1cccc(C(=O)N(C)CCNC(=O)[C@H](C)C#N)c1 | 1,408,674,351 | [C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][#N][=C][Ring2][Ring1][Ring1] |
COC(=O)[C@]1(NCc2ccc(-n3ccnc3)nc2)CCc2cc(Br)ccc2C1 | 1,174,671,071 | [C][O][C][=Branch1][C][=O][C@][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][N][=C][Ring1][O][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch2] |
Cc1cc(NC(=O)OC(C)(C)C)cc(NC(=O)[C@H](C(C)C)N2CCCS2(=O)=O)c1 | 1,535,352,585 | [C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][=C][Ring2][Ring1][N] |
CCC(C)(C)[C@@H](C)N1C[C@H](C(=O)O)CC1=O | 710,044,531 | [C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][C][C][N][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][Branch2][=O] |
Cc1nc([C@H](C)NC[C@@H](NC(=O)C(F)=C2CCCC2)C2CC2)no1 | 1,723,289,469 | [C][C][=N][C][Branch2][Ring1][#C][C@H1][Branch1][C][C][N][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][Branch1][C][F][=C][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][Ring1][=N][O][Ring2][Ring1][#Branch1] |
COCC1(N(C)CC2CCNCC2)CCC1 | 872,157,074 | [C][O][C][C][Branch1][=C][N][Branch1][C][C][C][C][C][C][N][C][C][Ring1][=Branch1][C][C][C][Ring1][=N] |
COCC1(C(=O)NC[C@]2(F)C[C@@H](CBr)C2)CCCC1 | 2,112,234,174 | [C][O][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C@][Branch1][C][F][C][C@@H1][Branch1][Ring1][C][Br][C][Ring1][#Branch1][C][C][C][C][Ring1][S] |
N[C@H]1C[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)O)C12CCC2 | 2,162,469,830 | [N][C@H1][C][C@@H1][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C][Ring1][S][C][C][C][Ring1][Ring2] |
COC[C@H]1CCCN1C[C@@H]1[C@H]2CCOC[C@H]21 | 1,976,173,064 | [C][O][C][C@H1][C][C][C][N][Ring1][Branch1][C][C@@H1][C@H1][C][C][O][C][C@H1][Ring1][=Branch1][Ring1][#Branch1] |
C[C@@H]1[C@H](CN[C@@H]2CCn3nccc3C2)[C@@H]1C | 1,978,916,416 | [C][C@@H1][C@H1][Branch1][S][C][N][C@@H1][C][C][N][N][=C][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C@@H1][Ring1][=C][C] |
CC[C@@H](CC(=N)N)NC(=O)NC1CCCC1 | 87,314,608 | [C][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] |
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC1(CCOCc2ccccc2)CC1 | 471,534,652 | [C][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][S][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][=N][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
COC(=O)[C@H](C)CN1CC[C@@H](O)CC1(C)C | 1,980,729,290 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][N][C][C][C@@H1][Branch1][C][O][C][C][Ring1][#Branch1][Branch1][C][C][C] |
C[C@@H]1CCn2ncc(C(=O)NC[C@@H](C)N=c3cc[nH]c(C#N)n3)c2C1 | 1,097,988,229 | [C][C@@H1][C][C][N][N][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][=C][C][=C][NH1][C][Branch1][Ring1][C][#N][=N][Ring1][Branch2][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][Branch2] |
CC(C)C[C@@H](N)CNC(=O)C(F)(F)F | 1,879,941,388 | [C][C][Branch1][C][C][C][C@@H1][Branch1][C][N][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
C=CCC[C@@H](CO)NC(=O)CCc1ccccc1C(=O)OC | 456,765,591 | [C][=C][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C] |
Cc1nsc(Br)c1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1O2 | 1,912,974,283 | [C][C][=N][S][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][O][Ring1][Branch1] |
COC(=O)CCCN1CC[C@@H]2CC[C@@]21C | 1,935,352,912 | [C][O][C][=Branch1][C][=O][C][C][C][N][C][C][C@@H1][C][C][C@@][Ring1][Ring2][Ring1][#Branch1][C] |
O=C(CCn1cnnn1)N[C@H]1C[C@@H](NCCOC2CCC2)C1 | 1,566,856,531 | [O][=C][Branch1][#Branch2][C][C][N][C][=N][N][=N][Ring1][Branch1][N][C@H1][C][C@@H1][Branch1][O][N][C][C][O][C][C][C][C][Ring1][Ring2][C][Ring1][N] |
Cc1cc([C@H](N)c2cnn3c2CCC3)co1 | 1,979,890,465 | [C][C][=C][C][Branch1][P][C@H1][Branch1][C][N][C][C][=N][N][C][=Ring1][Branch1][C][C][C][Ring1][Branch1][=C][O][Ring1][#C] |
CCNC(=O)CC(=O)N1CCC[C@@H](CN[C@H]2CCNC2=O)C1 | 1,265,606,781 | [C][C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][O][C][N][C@H1][C][C][N][C][Ring1][Branch1][=O][C][Ring1][=C] |
C[C@@H](C/N=C(/O)NCC1CCSCC1)N1CCOCC1 | 329,378,461 | [C][C@@H1][Branch1][P][C][/N][=C][Branch1][C][/O][N][C][C][C][C][S][C][C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] |
O=S1(=O)CCC[C@H](NS(=O)(=O)c2ccc(CO)o2)C1 | 88,552,306 | [O][=S][=Branch1][C][=O][C][C][C][C@H1][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][Ring2][Ring1][C] |
O=C(CC1C[C@H]2CC[C@@H]2C1)C1CS(=O)(=O)C1 | 1,988,181,160 | [O][=C][Branch1][=N][C][C][C][C@H1][C][C][C@@H1][Ring1][Ring2][C][Ring1][#Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][=Branch1] |
CCC1=CCC[C@@]1(OCC(=O)O)[C@H]1C=CCN1 | 2,252,019,353 | [C][C][C][=C][C][C][C@@][Ring1][Branch1][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C@H1][C][=C][C][N][Ring1][Branch1] |
Cc1cc(C2(O)CCC(CN)CC2)ccn1 | 1,940,065,077 | [C][C][=C][C][Branch1][S][C][Branch1][C][O][C][C][C][Branch1][Ring1][C][N][C][C][Ring1][=Branch2][=C][C][=N][Ring1][#C] |
C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)c1nc(C(C)(C)C)cs1 | 506,471,399 | [C][C@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2] |
C#C[C@H](C)N(C)c1nnc(Cc2nc(C)no2)n1CC1CC1 | 1,263,746,499 | [C][#C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=N][N][=C][Branch1][N][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][N][Ring1][N][C][C][C][C][Ring1][Ring1] |
O=C(NC1CC(C2CCC2)C1)[C@@H]1N[C@@H]2CC[C@H]1C2 | 2,296,661,058 | [O][=C][Branch1][S][N][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][Ring1][Branch2][C@@H1][N][C@@H1][C][C][C@H1][Ring1][=Branch1][C][Ring1][Branch1] |
O=C(C[C@@H]1C=CCCC1)NC/C=C/CNCc1nccn1C(F)F | 1,715,834,857 | [O][=C][Branch1][#Branch2][C][C@@H1][C][=C][C][C][C][Ring1][=Branch1][N][C][/C][=C][/C][N][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F] |
CCN[C@H](CC)CN1CCC[C@@H]1CN(C)C | 61,643,332 | [C][C][N][C@H1][Branch1][Ring1][C][C][C][N][C][C][C][C@@H1][Ring1][Branch1][C][N][Branch1][C][C][C] |
CNC[C@@H](C)[C@H](C)N1Cc2cccnc2C1 | 1,900,309,183 | [C][N][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2] |
CO[C@H]1C[C@@H]2C[C@H]1CN2c1cc[nH]c(=N)c1C | 2,302,195,952 | [C][O][C@H1][C][C@@H1][C][C@H1][Ring1][Branch1][C][N][Ring1][Branch1][C][C][=C][NH1][C][=Branch1][C][=N][C][=Ring1][#Branch1][C] |
CCC[C@H](NC)C(=O)N[C@@H]1CCO[C@H](CC)C1 | 1,908,603,322 | [C][C][C][C@H1][Branch1][Ring1][N][C][C][=Branch1][C][=O][N][C@@H1][C][C][O][C@H1][Branch1][Ring1][C][C][C][Ring1][Branch2] |
C[C@@H](COCC[C@@H]1CNCCS1)N(C)C | 1,974,909,999 | [C][C@@H1][Branch1][=N][C][O][C][C][C@@H1][C][N][C][C][S][Ring1][=Branch1][N][Branch1][C][C][C] |
COCC[C@H]1CCCN(Cc2ccc(Br)c(N)c2)C1=O | 2,150,856,673 | [C][O][C][C][C@H1][C][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][N][=C][Ring1][Branch2][C][Ring1][#C][=O] |
CO[C@H](c1ccc(F)cc1)[C@H](C)N1C(=O)N[C@](C)(CCF)C1=O | 656,815,421 | [C][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch1][Ring2][C][C][F][C][Ring1][#Branch2][=O] |
CCCc1nc(C[C@@H]2CC(=O)NC2=O)cs1 | 2,245,010,727 | [C][C][C][C][=N][C][Branch1][=N][C][C@@H1][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][=C][S][Ring1][=N] |
C[C@@H]1CC[C@H](C(=O)[C@H](O)c2cn[nH]c2)C1 | 1,934,210,722 | [C][C@@H1][C][C][C@H1][Branch1][S][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][=N][NH1][C][=Ring1][Branch1][C][Ring1][=C] |
COC[C@H](C)CCN1CC=C[C@@H]1CF | 1,902,355,875 | [C][O][C][C@H1][Branch1][C][C][C][C][N][C][C][=C][C@@H1][Ring1][Branch1][C][F] |
Cc1cnc(CNCCN(C)C(=O)c2ccc3c(c2)CCC3)s1 | 1,567,602,597 | [C][C][=C][N][=C][Branch2][Ring1][N][C][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1] |
CCOc1cc2c(cc1OCC)CN(Cc1ccccc1CC)CC2 | 1,651,782,664 | [C][C][O][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][Ring2] |
Cc1cc(N)ccc1C(=O)N[C@H]1CCC[C@H]1CO | 231,234,138 | [C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Ring1][Branch1][C][O] |
CCN(C)C(=O)CN1CC[C@H](NC(=O)COCC(F)F)C1 | 1,417,938,247 | [C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][F][F][C][Ring1][=C] |
Cc1ncsc1CCNC(=O)NCCC[C@H]1CCCC[C@@H]1O | 458,968,578 | [C][C][N][=C][S][C][=Ring1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][O] |
FC1(F)[C@@H]2CN(c3ncc(Br)cc3CNC3CC3)C[C@@H]21 | 715,496,199 | [F][C][Branch1][C][F][C@@H1][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][C][C][C][Ring1][Ring1][C][C@@H1][Ring1][P][Ring2][Ring1][Ring1] |
Cc1cc(N2C[C@@H](C(=O)NCCN(C)C3CCCCC3)CC2=O)ccc1Br | 1,544,033,812 | [C][C][=C][C][Branch2][Ring1][S][N][C][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][C][=O][=C][C][=C][Ring2][Ring1][=Branch2][Br] |
CCc1occc1C(=O)NC1(CCN)CCC1 | 1,942,463,512 | [C][C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][C][N][C][C][C][Ring1][#Branch1] |
CC(C)[C@H]1COC[C@H]1N[C@@H](C)COC(F)F | 2,210,632,034 | [C][C][Branch1][C][C][C@H1][C][O][C][C@H1][Ring1][Branch1][N][C@@H1][Branch1][C][C][C][O][C][Branch1][C][F][F] |
Cc1cc(=N[C@H]2CCNC3(CCCC3)C2)[nH]n1C | 2,074,136,572 | [C][C][=C][C][=Branch2][Ring1][C][=N][C@H1][C][C][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2][NH1][N][Ring1][S][C] |
O=C(C#CC1CC1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 | 837,658,741 | [O][=C][Branch1][Branch2][C][#C][C][C][C][Ring1][Ring1][N][C][C][C@@][Branch1][Ring1][C][O][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C] |
COC(=O)c1cccc(NC(=O)c2c[nH]c3ccc(C)cc3c2=O)c1 | 1,866,069,035 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][Branch1] |
Cn1cc(C(=O)Nc2cnccc2Br)c(C(F)(F)F)n1 | 2,296,262,800 | [C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][Br][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring1] |
COCCCN1CCC(NC(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)CC1 | 769,367,479 | [C][O][C][C][C][N][C][C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][=N][C][C][Ring2][Ring1][=Branch2] |
CC1(C)CN(C(=O)NCCNC(=O)CCCc2ccccc2)CCN1Cc1ccccc1 | 1,686,850,446 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring2][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCC(C)(C)[C@@H](C)NCCCc1nn[nH]n1 | 1,989,825,039 | [C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][C][C][N][C][C][C][C][N][=N][NH1][N][=Ring1][Branch1] |
CCNC(=O)Nc1ccc(C)c(NC(=O)[C@@]23C[C@H]2COC3(C)C)c1 | 614,138,557 | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@][C][C@H1][Ring1][Ring1][C][O][C][Ring1][=Branch1][Branch1][C][C][C][=C][Ring2][Ring1][C] |
NC[C@@H]1CO[C@H](C2[C@@H]3CCCCC[C@@H]23)O1 | 1,960,612,019 | [N][C][C@@H1][C][O][C@H1][Branch1][=N][C][C@@H1][C][C][C][C][C][C@@H1][Ring1][Branch2][Ring1][#Branch1][O][Ring1][=N] |
F[C@@H]1CCC[C@@H]1Nc1cc(Br)ccc1Br | 1,962,610,503 | [F][C@@H1][C][C][C][C@@H1][Ring1][Branch1][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Br] |
Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 | 503,603,182 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] |
CC1(C(=O)N[C@@H]2CC[C@H]2N)CCCCC1 | 1,958,964,091 | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Ring2][N][C][C][C][C][C][Ring1][=C] |
NC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cccnc1 | 1,808,262,993 | [N][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C@H1][Ring2][Ring1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
N#CCCCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 | 1,341,750,845 | [N][#C][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][C][C][Ring1][=C] |
N#CCC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 | 1,770,754,562 | [N][#C][C][C][C][C][N][Branch2][Ring1][P][C][=N][N][=C][Branch1][Branch2][C@H1][C][C][O][C][Ring1][Branch1][N][Ring1][#Branch2][C][C][N][/C][Branch1][C][O][=C][/N][=C][C][=C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][N] |
C[C@@H]1C[C@@]2(CCO1)C[C@@H]2C(=O)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 | 759,672,421 | [C][C@@H1][C][C@@][Branch1][=Branch1][C][C][O][Ring1][=Branch1][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C] |
CC(C(=O)N1CCCC[C@H]1CN[C@@H](C)C(=O)NCC(C)C)=C1CCC1 | 1,505,404,783 | [C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][C][C][Ring1][Ring2] |
COC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c(C)c1 | 1,785,278,266 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C@H1][C][O][C][C@H1][Ring1][Branch1][Ring1][=Branch1][C][C][O][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][O] |
Cc1nn(C)cc1N1[C@H]2CC[C@H]1[C@@H](C)[C@H](O)C2 | 2,214,281,919 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][N][C@H1][C][C][C@H1][Ring1][Branch1][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][Ring1][=Branch2] |
Cc1cnccc1N1C[C@@H]2[C@H](CO)C[C@H]2C1 | 1,982,127,902 | [C][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][C@@H1][C@H1][Branch1][Ring1][C][O][C][C@H1][Ring1][=Branch1][C][Ring1][=Branch2] |
COC[C@]1(F)CCN(C[C@H]2C[C@@]3(CCN3)C2)C1 | 2,011,127,437 | [C][O][C][C@][Branch1][C][F][C][C][N][Branch1][#C][C][C@H1][C][C@@][Branch1][=Branch1][C][C][N][Ring1][Ring2][C][Ring1][#Branch1][C][Ring1][=C] |
CCCc1nc([C@H](NN)[C@H]2C[C@@H](F)C2)ns1 | 1,904,942,150 | [C][C][C][C][=N][C][Branch1][#C][C@H1][Branch1][Ring1][N][N][C@H1][C][C@@H1][Branch1][C][F][C][Ring1][Branch1][=N][S][Ring1][=N] |
Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccc(N3CCC(O)CC3)cc2)cn1 | 876,816,603 | [C][N][C][=C][Branch2][Ring2][Ring1][C@@H1][Branch1][C][O][C][C@H1][C][C][C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][=N][C][=N][Ring2][Ring1][O] |
CC(C)[C@@]1(C)C[C@H]1NCC(=O)NC(C)(C)C | 397,201,576 | [C][C][Branch1][C][C][C@@][Branch1][C][C][C][C@H1][Ring1][Ring2][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] |
CC1=C(C(=O)OC(C)C)[C@@H](c2csc(Cl)c2Cl)NC(=O)N1Cc1nccs1 | 761,928,338 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C@@H1][Branch1][N][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][Cl][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][C][=N][C][=C][S][Ring1][Branch1] |
CCn1cncc1[C@@]1(F)CCC12CNC2 | 1,975,347,878 | [C][C][N][C][=N][C][=C][Ring1][Branch1][C@@][Branch1][C][F][C][C][C][Ring1][Branch1][C][N][C][Ring1][Ring2] |
CCc1nc(C)c(C(=O)N[C@@H](C)CNC(=O)C[C@H]2CC=CCC2)s1 | 1,354,618,812 | [C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C][=C][C][C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1] |
N[C@@H](CC1CCC(F)CC1)[C@H](O)c1cnco1 | 2,008,525,991 | [N][C@@H1][Branch1][=N][C][C][C][C][C][Branch1][C][F][C][C][Ring1][#Branch1][C@H1][Branch1][C][O][C][=C][N][=C][O][Ring1][Branch1] |
C[C@H]1CN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CCS(=O)(=O)C1 | 433,319,476 | [C][C@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring2][Ring1][Branch2] |
C[C@H]1CC(=O)N([C@@](C)(C(=O)O)C(C)(C)C)C1 | 1,904,526,857 | [C][C@H1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C] |
CC[C@]1(C)C[C@@H]1N[C@@]1(C(=O)O)CCC[C@@H]1CNC(=O)OC(C)(C)C | 2,305,728,266 | [C][C][C@][Branch1][C][C][C][C@@H1][Ring1][Ring2][N][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C@@H1][Ring1][Branch2][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CCCN(CCNC(=O)[C@@H]1CC12CCOCC2)C(=O)[C@@H](C)C#N | 1,497,286,819 | [C][C][C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][#N] |
CC(=O)Nc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nn2C)cc1 | 1,859,376,405 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=N][N][Ring2][Ring1][Branch1][C][C][=C][Ring2][Ring1][N] |
Cc1cccc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c1 | 1,612,228,452 | [C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][C][N][C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][=N][N][=C][Ring1][N][N][C][C][C@@H1][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
C[C@@H]1CN([C@H]2[N]C(Cl)=CS2)C[C@]1(C)CO | 725,711,196 | [C][C@@H1][C][N][Branch1][O][C@H1][NH0][C][Branch1][C][Cl][=C][S][Ring1][=Branch1][C][C@][Ring1][O][Branch1][C][C][C][O] |
COC(CCN1CCC[C@H]2CC[C@H]21)OC | 1,931,647,733 | [C][O][C][Branch1][#C][C][C][N][C][C][C][C@H1][C][C][C@H1][Ring1][Ring2][Ring1][Branch2][O][C] |
CCO/C=C(/C#N)C(=O)NCCOC(=O)C1CC1 | 491,050,708 | [C][C][O][/C][=C][Branch1][Ring1][/C][#N][C][=Branch1][C][=O][N][C][C][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] |
OCc1cnc([C@@H]2[C@@H]3CCC(F)(F)[C@@H]32)o1 | 1,961,397,799 | [O][C][C][=C][N][=C][Branch1][P][C@@H1][C@@H1][C][C][C][Branch1][C][F][Branch1][C][F][C@@H1][Ring1][#Branch1][Ring1][Branch2][O][Ring1][=N] |
Cc1sc(CNC(=O)[C@H](N)CN(C)Cc2ccccc2)c(C)c1C | 2,215,534,638 | [C][C][S][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][=Ring2][Ring1][=Branch1][C] |
O=C(CCc1ncc(-c2ccccc2Br)o1)N1CCCCC[C@@H]1c1ccco1 | 605,645,655 | [O][=C][Branch2][Ring1][Branch1][C][C][C][=N][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][O][Ring1][N][N][C][C][C][C][C][C@@H1][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1] |
C#CCCCC(=O)N[C@H]1[C@@H]2CN(C[C@H](O)C3CCCCC3)C[C@@H]21 | 1,114,199,682 | [C][#C][C][C][C][C][=Branch1][C][=O][N][C@H1][C@@H1][C][N][Branch1][=C][C][C@H1][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][C@@H1][Ring1][=C][Ring1][#C] |
Cc1sc(C(=O)N[C@H]2C[C@@H](N)C2(C)C)c(Br)c1C | 2,221,827,539 | [C][C][S][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch1][C][N][C][Ring1][Branch1][Branch1][C][C][C][=C][Branch1][C][Br][C][=Ring1][S][C] |