SMILES large_stringlengths 17 56 | ID large_stringlengths 1 7 | SELFIES stringlengths 63 275 | SAFE stringlengths 20 78 |
|---|---|---|---|
Cc1cc(C)cc(NC2=NCC(=O)N2c2ccccc2)c1 | 44416 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cc3cc(C)c1.N3C1=NCC(=O)N14.c14ccccc1 |
Cc1ccccc1NC(=O)N1CCCn2nc(-c3cccn3C)cc21 | 345301 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][O][Ring1][#C] | N15CCCn2nc7cc21.Cc1ccccc16.c17cccn1C.C45=O.N46 |
CC(=O)Nc1cccc(C(N)c2nc3ccccc3n2C)c1 | 816195 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c16nc2ccccc2n1C.c15cccc7c1.CC4=O.C67N.N45 |
Cc1[nH]nc(C(N)=O)c1NC(=O)CCSc1ccc(F)cc1 | 953330 | [C][C][NH1][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring1][Branch2][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1[nH]nc5c14.c16ccc(F)cc1.C2(=O)CC3.C5(N)=O.N24.S36 |
CC1c2ncc(Cn3cncn3)n2CCN1S(C)(=O)=O | 1512577 | [C][C][C][=N][C][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][Ring1][O][C][C][N][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O] | CC1c2ncc6n2CCN14.n15cncn1.S4(C)(=O)=O.C56 |
Cc1cc(N2CCOCC2)nc(N2CCN(S(C)(=O)=O)CC2)n1 | 1617102 | [C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1] | Cc1cc4nc5n1.N15CCN3CC1.N14CCOCC1.S3(C)(=O)=O |
Cc1cc(C)c2[nH]c(CN(C)CCN3CCCCC3=O)cc(=O)c2c1 | 1412300 | [C][C][=C][C][Branch1][C][C][=C][NH1][C][Branch1][P][C][N][Branch1][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=O][=C][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][Branch2] | Cc1cc(C)c2[nH]c7cc(=O)c2c1.N16CCCCC1=O.N45C.C5C6.C47 |
CCN(C(=O)c1cc(C)ccc1F)C(C)COC | 735413 | [C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][F][C][Branch1][C][C][C][O][C] | c16cc(C)ccc1F.C5(C)C3.N245.C26=O.CC4.O3C |
O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(F)nc1 | 1065324 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1] | c15ccc(F)nc1.c16nc7cs1.c17ccncc1.C4CC6.O=C35.N34 |
CCn1cc(N)c(C(=O)NCCCn2cc(Cl)cn2)n1 | 1766800 | [C][C][N][C][=C][Branch1][C][N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C] | n16cc(N)c5n1.n17cc(Cl)cn1.C4CC7.C35=O.CC6.N34 |
Cc1cnn(CCC(=O)Nc2ccc3c(c2)S(=O)(=O)C=C3)c1 | 942211 | [C][C][C][=N][N][Branch2][Ring1][=N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Ring1][Branch2][C][=Ring2][Ring1][Branch1] | c15ccc2c(c1)S(=O)(=O)C=C2.Cc1cnn6c1.C6CC4=O.N45 |
COc1ccc(N(CCC(N)=O)C(=O)c2cccc(C)n2)cc1 | 1651160 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc6cc1.c17cccc(C)n1.C5CC(N)=O.N356.C37=O.CO4 |
CCC(CC)N(CCO)C(=O)c1cccc(C)c1N | 570453 | [C][C][C][Branch1][Ring1][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N] | c15cccc(C)c1N.CCC3CC.N234.C4CO.C25=O |
O=C(CCn1cncn1)Nc1nc(-c2cccc(F)c2)cs1 | 1050442 | [O][=C][Branch1][#Branch2][C][C][N][C][=N][C][=N][Ring1][Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][S][Ring1][N] | c16cccc(F)c1.c14nc6cs1.O=C3CC5.n15cncn1.N34 |
COc1ccc(C(=O)NCc2ccccc2Cl)cc1F | 151061 | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P][F] | c14ccc6cc1F.c17ccccc1Cl.C36=O.CO4.N35.C57 |
Cc1nc(COC(=O)c2c[nH]nc2-c2ccccc2F)no1 | 1549278 | [C][C][=N][C][Branch2][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][O][Ring2][Ring1][Branch1] | c17ccccc1F.Cc1nc6no1.c15c[nH]nc17.C35=O.C46.O34 |
Nc1ccc(F)c2ccnc(C(=O)NCc3ccccn3)c12 | 1530827 | [N][C][=C][C][=C][Branch1][C][F][C][=C][C][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][Ring1][S] | Nc1ccc(F)c2ccnc6c12.c17ccccn1.C46=O.N45.C57 |
CCOC(=O)c1cn(Cc2ccc(F)cc2)c2nc(C)ccc2c1=O | 197364 | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O] | c15cn6c2nc(C)ccc2c1=O.c17ccc(F)cc1.C35=O.CC4.O34.C67 |
CC1Oc2ccccc2N(CCC(=O)N2CCOCC2C2CC2)C1=O | 1736795 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch1][=O] | CC1Oc2ccccc2N(CCC3=O)C1=O.N13CCOCC14.C14CC1 |
Cn1c(C(=O)NCCn2cc(Cl)cn2)cc2c(F)cccc21 | 544191 | [C][N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][=C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1] | Cn1c5cc2c(F)cccc21.n16cc(Cl)cn1.C35=O.C4C6.N34 |
Cc1ccnc(-n2cc(S(=O)(=O)N(C)C3(C#N)CCC3)cn2)c1 | 1469262 | [C][C][=C][C][=N][C][Branch2][Ring1][S][N][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][Ring1][C][#N][C][C][C][Ring1][=Branch1][C][=N][Ring1][S][=C][Ring2][Ring1][=Branch1] | n16cc(S5(=O)=O)cn1.Cc1ccnc6c1.C14(C#N)CCC1.N45C |
CCOc1cccc(NC(=O)CSc2nccn2C)c1 | 514251 | [C][C][O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][=C][Ring1][P] | c15cccc7c1.c18nccn1C.C3(=O)C6.CC4.O45.N37.S68 |
CCn1c(NC(=O)C2Cc3ccccc3C(=O)O2)nc2ccccc21 | 207555 | [C][C][N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | C16Cc2ccccc2C(=O)O1.n17c5nc2ccccc21.C46=O.CC7.N45 |
CCOC(=O)c1cc2c(=O)[nH]c(=O)n(C)c2nc1C | 513051 | [C][C][O][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][=Branch2][N][=C][Ring1][=N][C] | c15cc2c(=O)[nH]c(=O)n(C)c2nc1C.C35=O.CC4.O34 |
CCNC(=O)N1CCN(C(=O)c2cc3ccc(C)cc3nc2C)CC1 | 1683433 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C][C][C][Ring2][Ring1][Ring2] | c18cc2ccc(C)cc2nc1C.N15CCN6CC1.C45=O.C68=O.CC7.N47 |
O=C(CN1CCCCCC1=O)NCCC1=CCCCC1 | 828213 | [O][=C][Branch1][N][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1] | N14CCCCCC1=O.C3CC1=CCCCC1.O=C2C4.N23 |
O=C(NCC(F)(F)F)c1ccn(-c2ccccc2)n1 | 418281 | [O][=C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O] | c15ccn6n1.c16ccccc1.C4C(F)(F)F.O=C35.N34 |
O=C1NCCN(Cc2c(F)cccc2F)C1c1ccccc1 | 1744194 | [O][=C][N][C][C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1NCCN3C15.c14c(F)cccc1F.c15ccccc1.C34 |
Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc[nH]c1=O | 947721 | [C][C][=N][C][=C][C][=Branch1][C][=O][NH1][N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Ring1][=Branch1][=O] | Cc1nc2cc(=O)[nH]n2c(C)c15.c14ccc[nH]c1=O.C5C3=O.N34 |
COc1ccc(-c2csc(C(C#N)C(=O)C(C)OC)n2)cc1 | 1859024 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][S][C][Branch1][S][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | C5(C#N)C(=O)C3C.c14ccc6cc1.c16csc5n1.CO4.O3C |
Cc1nc(CNC(=O)NC(c2ccccc2C)C(C)(C)C)no1 | 1234537 | [C][C][=N][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][=N][O][Ring2][Ring1][=Branch1] | c18ccccc1C.Cc1nc7no1.C68C(C)(C)C.C34=O.C57.N35.N46 |
c1cn2c(CNCc3ccnc(OC4CCC4)c3)cnc2cn1 | 1352474 | [C][=C][N][C][Branch2][Ring1][Branch1][C][N][C][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Ring1][O][=C][N][=C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][#Branch1] | c1cn2c9cnc2cn1.c1%10ccnc5c1.C16CCC1.C79.N78.C8%10.O56 |
Cc1cc(-c2cnc(NCc3cccnc3)nc2C2CCCO2)on1 | 1023851 | [C][C][C][=C][Branch2][Ring1][N][C][=C][N][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][=C][C][C][C][C][O][Ring1][Branch1][O][N][=Ring2][Ring1][Branch2] | c18cnc5nc17.Cc1cc8on1.c16cccnc1.C17CCCO1.N45.C46 |
Cc1cc(C(=O)NCc2ccc(-n3ccnc3)cc2)c2ccccc2n1 | 815358 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] | Cc1cc6c2ccccc2n1.c17ccc8cc1.n18ccnc1.C46=O.N45.C57 |
CC(C)(C)c1ccc2c(c1)CN(C(=O)CCNC(N)=O)CC2 | 1542384 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][N][C][Branch1][C][N][=O][C][C][Ring1][#C] | c16ccc2c(c1)CN3CC2.C3(=O)CC5.CC6(C)C.C4(N)=O.N45 |
Cc1cc(C)c2c(N(C)CC3CCCCO3)ncnc2n1 | 1453568 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][=C][N][Branch1][C][C][C][C][C][C][C][C][O][Ring1][=Branch1][=N][C][=N][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | Cc1cc(C)c2c5ncnc2n1.C16CCCCO1.N45C.C46 |
O=C(NCc1cc(Br)cs1)Nc1ccncc1 | 603702 | [O][=C][Branch1][=N][N][C][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16cc(Br)cs1.c15ccncc1.O=C23.N24.C46.N35 |
CN1CC(NC(=O)c2cccc(-c3ccoc3)c2)CCC1=O | 1349243 | [C][N][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=C][Ring1][O][C][C][C][Ring2][Ring1][Ring2][=O] | CN1CC5CCC1=O.c16cccc7c1.c17ccoc1.C46=O.N45 |
O=C(NCCNC(=O)C1CCCCC1)c1cnn2c1SCC2 | 1173769 | [O][=C][Branch1][P][N][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][=N][N][C][=Ring1][Branch1][S][C][C][Ring1][Branch1] | c18cnn2c1SCC2.C17CCCCC1.O=C38.C5C6.C47=O.N35.N46 |
NC(=O)CSc1ccccc1NC(=O)CCc1ccccc1 | 1600280 | [N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc14.c15ccccc1.C2(=O)CC5.NC(=O)C3.S36.N24 |
COc1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1 | 417353 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c16ccc9cc1.c18cccc7c1.c1%10ccccn1.C49=O.CO6.N48.O57.C5%10 |
COc1ccc(C(O)CCC(=O)Nc2ccccc2)cc1F | 1838363 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][F] | c14ccc6cc1F.C6(O)CCC3=O.c15ccccc1.CO4.N35 |
c1cnn(CC2CN(CCc3ccncc3)CCO2)c1 | 933078 | [C][C][=N][N][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][O][Ring1][=C][C][=Ring2][Ring1][Ring2] | C16CN4CCO1.c17ccncc1.c1cnn5c1.C4C7.C56 |
CC(C)NC(=O)CSc1nnc(Cc2ccccc2)n1C | 1765582 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C] | c18nnc6n1C.c17ccccc1.C3(=O)C5.CC4C.N34.S58.C67 |
O=C(c1cccc2ncccc12)N1CCCC1C1CCCC1 | 1720511 | [O][=C][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] | c14cccc2ncccc12.N13CCCC15.C15CCCC1.O=C34 |
CCc1ocnc1C(=O)N1CCN(Cc2cc(C)cc(C)c2)C(=O)C1 | 1154476 | [C][C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][S] | N13CCN5C(=O)C1.c17cc(C)cc(C)c1.c16ocnc14.C34=O.CC6.C57 |
COc1cccc(-c2nn3c(-c4cc(C)n[nH]4)nnc3s2)c1OC | 357136 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][N][C][Branch1][O][C][=C][C][Branch1][C][C][=N][NH1][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][=C][Ring2][Ring1][Ring2][O][C] | c18nn2c7nnc2s1.c15cccc8c16.c17cc(C)n[nH]1.CO5.O6C |
N#Cc1ccc(OCC(=O)NCC2(c3ccccc3)CCC2)cc1 | 1780566 | [N][#C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] | N#Cc1ccc6cc1.c19ccccc1.C189CCC1.C5C4=O.O56.N47.C78 |
O=C(c1cc2ccoc2cn1)N1CCN(C(=O)C2CCC2)CC1 | 1171651 | [O][=C][Branch1][=C][C][=C][C][C][=C][O][C][=Ring1][Branch1][C][=N][Ring1][=Branch2][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N] | c15cc2ccoc2cn1.N13CCN4CC1.C16CCC1.O=C35.C46=O |
COc1ccc(N(C(=O)c2ccc(C)nc2)C(C)C2CC2)cc1 | 802743 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Branch1] | c14ccc6cc1.c17ccc(C)nc1.N356.C37=O.C58C.C18CC1.CO4 |
Cc1ccc(OCC(=O)NCCC#N)c(C(C)O)c1 | 466288 | [C][C][=C][C][=C][Branch1][N][O][C][C][=Branch1][C][=O][N][C][C][C][#N][C][Branch1][=Branch1][C][Branch1][C][C][O][=C][Ring2][Ring1][C] | Cc1ccc4c6c1.C3C2=O.C5CC#N.C6(C)O.O34.N25 |
CC(C)NC(=O)c1cccc(NC(=O)COc2ccccc2Cl)c1 | 222518 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][C] | c19cccc8c1.c16ccccc1Cl.C4(=O)C5.CC7C.C39=O.N37.N48.O56 |
COc1ccc(OC(=O)Cn2ccc3cc(OC)ccc32)cc1 | 566009 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring1][O][C][=C][Ring2][Ring1][Branch1] | n18ccc2cc7ccc21.c15ccc6cc1.C4(=O)C8.CO5.O46.O7C |
CCN(CCC#N)C(=O)c1cc(F)c(NC)c(F)c1 | 849991 | [C][C][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][Ring1][N][C][C][Branch1][C][F][=C][Ring1][#Branch2] | c16cc(F)c5c(F)c1.C4CC#N.N234.C26=O.CC3.N5C |
COC(=O)c1ccc(C(=O)OCc2scnc2C)cc1 | 1215120 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][S][C][=N][C][=Ring1][Branch1][C][C][=C][Ring1][S] | c16ccc7cc1.c18scnc1C.C36=O.C47=O.CO3.O45.C58 |
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