ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
34452 | CCC(C)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC | [C][C][C][Branch1][C][C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][C] | c15cc(S4(=O)=O)ccc13.N14CCOCC1.CCC5C.O3C |
34453 | CCOC(=O)c1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4 | [C][C][O][C][=Branch1][C][=O][C][N][=C][C][C][=C][Branch1][=N][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][N][=Ring1][N][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][=C] | c17nc2c3c4c(sc3ncn2n1)COC(C)(C)C4.C57=O.CC6.O56 |
34454 | CCS(=O)(=O)c1nc2ccccc2n1Cc1cccc(F)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | CCS(=O)(=O)c1nc2ccccc2n13.c14cccc(F)c1.C34 |
34455 | COc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2cc7c(=O)oc2c1.C16CCCCC1.C47=O.CO5.N46 |
34456 | CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1 | [C][C][O][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c13cc(C)c5cc1S4(=O)=O.N14CCOCC1.C5(C)C.CC2.O23 |
34457 | Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccnc2)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C] | Cc1ccccc17.c15cccc6c1.c18cccnc1.C37=O.C48=O.N35.N46 |
34459 | CNS(=O)(=O)c1ccc(OC)c2ccccc12 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | S4(=O)(=O)c1ccc3c2ccccc12.CN4.O3C |
34460 | CSc1nsc(SCC(=O)NC2CCCCC2)n1 | [C][S][C][=N][S][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][S] | c16nsc7n1.C15CCCCC1.C4C3=O.CS6.S47.N35 |
34462 | COc1ccc2c(c1OC)C(=O)N1c3cn(C)nc3C(=O)NC21 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring2][Ring1][C][Ring1][O] | c14ccc2c(c15)C(=O)N1c3cn(C)nc3C(=O)NC21.CO4.O5C |
34463 | COC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCCCC2)O1 | [C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][Ring2] | COC1=NC34N=C(N2CCCCC2)O1.C3(F)(F)F.C4(F)(F)F |
34465 | COc1ccccc1NS(=O)(=O)c1cc(C)ccc1OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C] | S4(=O)(=O)c1cc(C)ccc13.c12ccccc15.CO2.N45.O3C |
34466 | O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Cl)cc1Cl | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | n15c(=O)oc2ccccc21.c14ccc(Cl)cc1Cl.O=C3C5.N34 |
34467 | CCC(=O)N1CC2(C)CN(C(=O)CC)CC(c3ccccc3)(C1)C2=O | [C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][Branch1][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][C][=O] | N14CC26CN5CC(C)(C1)C2=O.c16ccccc1.CCC4=O.C5(=O)CC |
34468 | O=C(CNC(=O)c1cccs1)Nc1cccc(C(F)(F)F)c1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c15cccc7c1.c16cccs1.O=C2C4.C7(F)(F)F.C36=O.N34.N25 |
34469 | Cc1cc2c(=O)oc(-c3ccc(F)cc3)nc2s1 | [C][C][=C][C][C][=Branch1][C][=O][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=Ring1][=C][S][Ring1][P] | Cc1cc2c(=O)oc4nc2s1.c14ccc(F)cc1 |
34470 | COc1ccc(C2(C(=O)Nc3nncs3)CCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.C178CCCC1.c16nncs1.C47=O.CO5.N46 |
34471 | O=C(CSc1nnnn1-c1ccccc1)NC1CCCC1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][Branch1] | c16nnnn15.c15ccccc1.C14CCCC1.O=C2C3.S36.N24 |
34472 | CCN(CC1COc2ccccc2O1)S(=O)(=O)c1ccc(C)cc1 | [C][C][N][Branch1][S][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C16COc2ccccc2O1.S5(=O)(=O)c1ccc(C)cc1.N345.CC3.C46 |
34473 | CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1F | [C][C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][F] | c14cc(S5(=O)=O)ccc1F.N15CCCCCC1.CC3.O34 |
34474 | COc1ccccc1Oc1nnnn1-c1ccc(C(N)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c13ccccc14.c16ccc5cc1.c12nnnn16.C5(N)=O.CO3.O24 |
34476 | Cc1ccccc1NC(=O)CNC(=O)c1cccs1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | Cc1ccccc15.c16cccs1.C2(=O)C4.C36=O.N25.N34 |
34477 | COc1ccc(S(=O)(=O)N(C)CC(N)=O)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][N][=O][C][=C][Ring1][#C][Cl] | c12ccc(S4(=O)=O)cc1Cl.C3C(N)=O.N34C.CO2 |
34478 | CCN(CC(=O)NC)S(=O)(=O)c1ccc(Cl)cc1 | [C][C][N][Branch1][Branch2][C][C][=Branch1][C][=O][N][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1ccc(Cl)cc1.C4C2=O.N345.CC3.N2C |
34479 | CCOc1ccc(CNc2nc3nc(C)cc(C)n3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][C][=C][Ring2][Ring1][Ring1] | c17nc2nc(C)cc(C)n2n1.c15ccc8cc1.CC4.O45.C68.N67 |
34480 | CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)NC(C)C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][O][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | c1%10[nH]c2ccc7cc2c19.C3%10=O.C45=O.C8(C)C.CC6.O36.O7C.N49.N58 |
34481 | CC(=O)Nc1c(OC(C)=O)c2ccccc2oc1=O | [C][C][=Branch1][C][=O][N][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C][=O] | c16c5c2ccccc2oc1=O.CC4=O.C3(C)=O.N46.O35 |
34482 | CCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1C | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C] | c15ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1C.CC4.O45 |
34483 | CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccc(C)n1 | [C][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][Ring1][=Branch1] | c13cc(C)c(Cl)cc1S(=O)(=O)n1ccc(C)n1.CC2.O23 |
34484 | Cc1cc(S(=O)(=O)NC2CCCC2)ccc1F | [C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][F] | Cc1cc(S3(=O)=O)ccc1F.C14CCCC1.N34 |
34486 | COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c18nc2ccccc2[nH]1.c17ccccc16.C4(=O)C5.C37=O.CO3.N46.S58 |
34488 | CCc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][O][Ring2][Ring1][C] | c14ccc(S(N)(=O)=O)cc1.c16ccc5o1.C35=O.CC6.N34 |
34489 | COc1nc2ccc(C)cc2cc1-c1noc(-c2ccncc2)n1 | [C][O][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=N][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O] | c13nc2ccc(C)cc2cc14.c14noc5n1.c15ccncc1.CO3 |
34490 | COc1cc(S(=O)(=O)NC2CCCCC2)ccc1F | [C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][F] | c13cc(S4(=O)=O)ccc1F.C15CCCCC1.CO3.N45 |
34491 | COc1ccc(NC(=O)CCC2COc3ccccc3O2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | C18COc2ccccc2O1.c15ccc7c6c1.C4(=O)CC8.CO5.N47.O6C |
34492 | Cc1ccc(NC(=O)CNC(=O)c2cccs2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][C][Cl] | Cc1ccc6cc1Cl.c17cccs1.C3(=O)C5.C47=O.N36.N45 |
34493 | COC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] | S3(=O)(=O)c1ccc6cc1.c15ccccc14.C25=O.CO2.N34.S6C |
34494 | COc1ccc(OCC(=O)Nc2ccccc2OC(F)F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.c18ccccc17.C4C3=O.O7C(F)F.CO5.O46.N38 |
34495 | O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 | [O][=C][Branch2][Ring1][=N][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)C56O.c15ccccc1.c16ccccc1.c14ccccc1.O=C4C3.O23 |
34496 | CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 | [C][C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1ccc(Cl)cc1.N12CCOCC1.C4C2=O.N345.CC3 |
34497 | O=C(Nc1ncnc2sc3c(c12)CCC3)c1ccco1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c15ncnc2sc3c(c12)CCC3.c16ccco1.O=C46.N45 |
34499 | COC(=O)c1cc(Br)c(=O)n(-c2cccc(F)c2)c1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Ring1][#C] | c14cc(Br)c(=O)n5c1.c15cccc(F)c1.C34=O.CO3 |
34500 | CSc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1 | [C][S][C][=N][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][C] | c16nc3nc5n1.c14ccc(=O)n(C)n1.N5(C)C.CS6.O34 |
34501 | CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1ccccc1F | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17[nH]c2ccc(F)cc2c16.c18ccccc1F.C37=O.C48=O.CC5.O35.N46 |
34503 | Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1nc2ccccc2c(=O)n13.c13ccc(F)cc1 |
34504 | O=C(Nc1ccc(F)cc1)c1coc(=O)c(Br)c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][O][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Ring1][Branch2] | c14coc(=O)c(Br)c1.c13ccc(F)cc1.O=C24.N23 |
34505 | COc1cc(S(=O)(=O)NCc2ccco2)ccc1Br | [C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][S][Br] | c13cc(S5(=O)=O)ccc1Br.c16ccco1.CO3.N45.C46 |
34506 | COc1cccc(OCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][O][C][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][O][Ring1][#C][=C][Ring2][Ring1][#Branch1] | c1%10ccc7c8c1.c15cccc6c1.c19nc%10no1.CO5.O46.C49.O7C.O8C |
34507 | CCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1C | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S][C] | c14ccc(S(=O)(=O)n2nc(C)cc2C)cc1C.CC3.O34 |
34508 | COc1ccc(-n2ncc3c(N(CCO)CCO)ncnc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][N][=C][N][=C][Ring1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | n18ncc2c7ncnc21.c14ccc8cc1.N567.C5CO.C6CO.CO4 |
34509 | COc1cc(S(=O)(=O)NC(C)c2ccccc2)ccc1F | [C][O][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][F] | c13cc(S5(=O)=O)ccc1F.c16ccccc1.C46C.CO3.N45 |
34510 | CC(C)CNc1ncnc2c1cnn2-c1ccc(Cl)cc1 | [C][C][Branch1][C][C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ncnc2c1cnn25.c15ccc(Cl)cc1.CC(C)C3.N34 |
34511 | COc1ccccc1NC(=O)C1CC(=O)n2c(nc3ccccc32)N1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][Ring1][=C] | C17CC(=O)n2c(nc3ccccc32)N1.c15ccccc16.C47=O.CO5.N46 |
34512 | CCOc1cc(S(=O)(=O)Nc2cc(C)ccn2)ccc1Cl | [C][C][O][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][P][Cl] | c14cc(S5(=O)=O)ccc1Cl.c16cc(C)ccn1.CC3.O34.N56 |
34513 | O=c1ccc2cc(S(=O)(=O)NCc3ccccc3)ccc2o1 | [O][=C][C][=C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][O][Ring2][Ring1][Branch1] | O=c1ccc2cc(S5(=O)=O)ccc2o1.c16ccccc1.N45.C46 |
34514 | CC1CCN(c2oc(-c3cccs3)nc2C#N)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring1][C][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][#N][C][C][Ring2][Ring1][C] | c14oc5nc1C#N.CC1CCN4CC1.c15cccs1 |
34515 | COC(=O)C1C2C=CC3(CN(C(C)c4ccncc4)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][O][C][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C][Ring1][=C][O][Ring2][Ring1][C] | C16C2C=CC3(CN7C(=O)C13)O2.c18ccncc1.C56=O.C78C.CO5 |
34516 | Cn1c(C(F)(F)F)nc2cc(Br)cnc21 | [C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][Ring1][=C] | Cn1c3nc2cc(Br)cnc21.C3(F)(F)F |
34517 | O=C(Nc1ncnc2sc3c(c12)CCC3)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ncnc2sc3c(c12)CCC3.c16ccccc1.O=C46.N45 |
34518 | CCN(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc(C)cc1 | [C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S6(=O)(=O)c1ccc(C)cc1.C17CCCO1.C4C2=O.N346.CC3.N25.C57 |
34520 | COc1ccc(C(=O)NCc2ccco2)cc1Br | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C][Br] | c14ccc6cc1Br.c17ccco1.C36=O.CO4.N35.C57 |
34521 | CC(=O)Oc1ccc2nc(-c3cccc(C)c3)oc(=O)c2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2nc6oc(=O)c2c1.c16cccc(C)c1.CC4=O.O45 |
34522 | COc1cc(S(=O)(=O)NC2CCCC2)ccc1F | [C][O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][F] | c13cc(S4(=O)=O)ccc1F.C15CCCC1.CO3.N45 |
34523 | CCC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][=N] | c15ccc(S4(=O)=O)cc1.CCC2=O.C3(C)C.N25.N34 |
34524 | O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccnc1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccc2c(c1)Cc1ccccc1-2.c15cccnc1.O=C35.N34 |
34525 | CN(C)S(=O)(=O)N(Cc1ccccc1Cl)c1ccccc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | CN(C)S(=O)(=O)N23.c14ccccc1Cl.c13ccccc1.C24 |
34527 | Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1F | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cn1c6nnc17.c17ccccc1F.c15ccccc1.C4C3=O.S46.N35 |
34528 | NC(=O)c1cc(-c2ccccc2)nc(N2CCCCCC2)n1 | [N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | c14cc5nc3n1.N13CCCCCC1.c15ccccc1.NC4=O |
34530 | COc1nc2c(C)cccc2cc1-c1noc(C)n1 | [C][O][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1] | c13nc2c(C)cccc2cc14.c14noc(C)n1.CO3 |
34531 | CC(=O)Nc1nnc(-c2c(F)cccc2F)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][S][Ring1][=N] | c15c(F)cccc1F.c14nnc5s1.CC3=O.N34 |
34532 | COc1ccc(CCNS(=O)(=O)c2cc(C)ccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][Branch1] | S6(=O)(=O)c1cc(C)ccc14.c13ccc7cc1.C7C5.CO3.N56.O4C |
34533 | Cc1cccc(-n2ncc3c(N4CCCCC4)ncnc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][N][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][=C][Ring2][Ring1][Branch1] | n16ncc2c5ncnc21.Cc1cccc6c1.N15CCCCC1 |
34535 | COc1ccc(NC(=O)CNC(=O)c2cccs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c18cccs1.C3(=O)C6.C48=O.CO5.N37.N46 |
34537 | CCOc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1F | [C][C][O][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][S][F] | c14cc(S(=O)(=O)n2nc(C)cc2C)ccc1F.CC3.O34 |
34539 | CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccccn1 | [C][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c13cc(C)c(Cl)cc1S5(=O)=O.c16ccccn1.CC2.O23.N45.C46 |
34541 | Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][=N] | c15ccc(S4(=O)=O)cc1.Cc1ccccc16.C26=O.C3(C)C.N25.N34 |
34542 | N#Cc1nc(-c2ccccc2F)oc1N1CCOCC1 | [N][#C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][=Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | N#Cc1nc4oc13.c14ccccc1F.N13CCOCC1 |
34543 | CCNS(=O)(=O)c1ccc(OC)c2ccccc12 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | S5(=O)(=O)c1ccc3c2ccccc12.CC4.N45.O3C |
34545 | CSc1nsc(SCC(=O)c2ccccc2)n1 | [C][S][C][=N][S][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C] | c15nsc6n1.c14ccccc1.C3C4=O.CS5.S36 |
34546 | COc1ccc(C)cc1S(=O)(=O)Nc1cccc(F)c1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c12ccc(C)cc1S3(=O)=O.c14cccc(F)c1.CO2.N34 |
34547 | N#Cc1cc(Cl)c(N2CCc3ccccc3C2)cc1C#N | [N][#C][C][=C][C][Branch1][C][Cl][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring1][P][C][#N] | N#Cc1cc(Cl)c4cc1C#N.N14CCc2ccccc2C1 |
34548 | Clc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | n16ncc2c5ncnc21.Clc1ccc6cc1.N15CCCCC1 |
34549 | COc1ccc(OC)c(NC(=O)Cn2c(C)ccc2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc5c6c1.n17c(C)ccc1C.C3(=O)C7.CO4.O5C.N36 |
34550 | O=c1ccc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2o1 | [O][=C][C][=C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][O][Ring2][Ring1][Branch1] | O=c1ccc2cc(S4(=O)=O)ccc2o1.c15ccc(Cl)cc1.N45 |
34551 | Cc1cccc(-c2nc(C#N)c(NCC3CCCO3)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][O][Ring1][=C][=C][Ring2][Ring1][Ring2] | c17nc(C#N)c5o1.Cc1cccc7c1.C16CCCO1.N45.C46 |
34553 | Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][=N][=C][Ring2][Ring1][=Branch1] | c16ccc(S5(=O)=O)cc1.Cc1cccc7c1.C37=O.C4(C)C.N36.N45 |
34554 | Cc1cccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][S][N][N][=C][C][=C][Branch1][S][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | n17ncc2c5ncnc21.Cc1cccc7c1.N15CCC6CC1.C6(N)=O |
34555 | CCOc1ccc(C)cc1S(=O)(=O)N1CCCCC1 | [C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c13ccc(C)cc1S4(=O)=O.N14CCCCC1.CC2.O23 |
34556 | CCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl | [C][C][O][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][Cl] | c14cc(S6(=O)=O)ccc1Cl.c17ccccc1.CC3.O34.N56.C57 |
34557 | CC(C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 | [C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1ccc6cc1.c17ccccc1.C3(=O)CC7.CC4C.N45.N36 |
34558 | Cc1ccc2nc(NC(=O)CSc3nnc(C)s3)sc2c1 | [C][C][=C][C][=C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][S][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Cc1ccc2nc6sc2c1.c17nnc(C)s1.C4(=O)C5.N46.S57 |
34559 | CSc1nc(NCC(C)C)nc(N2CCOCC2)n1 | [C][S][C][=N][C][Branch1][Branch2][N][C][C][Branch1][C][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][P] | c16nc4nc5n1.N15CCOCC1.C3C(C)C.CS6.N34 |
34560 | Cc1cc(C)n2nc(NCc3ccccc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][N][=Ring2][Ring1][C] | Cc1cc(C)n2nc5nc2n1.c16ccccc1.N45.C46 |
34563 | CCOc1ccc(C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 | [C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2] | c13ccc(C)cc1S4(=O)=O.N14CCC5CC1.C5(N)=O.CC2.O23 |
34564 | CCNS(=O)(=O)c1ccc(Br)c2ccccc12 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | S4(=O)(=O)c1ccc(Br)c2ccccc12.CC3.N34 |
34565 | CCNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][Cl] | S4(=O)(=O)c1cc(Cl)c2cc1Cl.CC3.N34.O2C |
34566 | Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | Cc1csc6n1.c17nnc8o1.c18ccco1.C4(=O)C5.N46.S57 |
34567 | COc1ccc(CNS(=O)(=O)c2cc(C)ccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][Ring2] | S6(=O)(=O)c1cc(C)ccc14.c13ccc7cc1.CO3.C57.N56.O4C |
34569 | Cc1cc(-c2cn(S(=O)(=O)c3ccccc3)nc2N)ccc1F | [C][C][=C][C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][N][=C][C][=C][Ring2][Ring1][Branch1][F] | c14cn(S(=O)(=O)c2ccccc2)nc1N.Cc1cc4ccc1F |
34570 | COc1cc(S(=O)(=O)N(C)C)ccc1Br | [C][O][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][N][Br] | c12cc(S3(=O)=O)ccc1Br.N3(C)C.CO2 |
34571 | CC(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][C][=C][Ring1][#C][Cl] | c16nc2ccccc2o1.c15cc6ccc1Cl.CC4=O.N45 |
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