ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
33459 | Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F | [N][C][=C][C][Branch1][C][N][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][O][C][C][Branch1][C][F][Branch1][C][F][F] | Nc1cc(N)c4cc15.C2C(F)(F)F.C3C(F)(F)F.O24.O35 |
33460 | COc1ccc2cnn(Cc3ccccc3)c(=O)c2c1OC | [C][O][C][=C][C][=C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=C][=C][Ring2][Ring1][C][O][C] | c14ccc2cnn6c(=O)c2c15.c17ccccc1.CO4.C67.O5C |
33461 | CCOC(=O)CSc1nc(N)c2c3c(sc2n1)CCC3 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#Branch2][C][C][C][Ring1][Branch2] | c17nc(N)c2c3c(sc2n1)CCC3.C4(=O)C6.CC5.O45.S67 |
33462 | CCN(CC)C(=O)C(O)(c1ccccc1)c1ccccc1 | [C][C][N][Branch1][Ring1][C][C][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] | C2(=O)C56O.c15ccccc1.c16ccccc1.N234.CC3.C4C |
33463 | CC(=O)Nc1nnc(-c2ccc(Br)cc2)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][N] | c15ccc(Br)cc1.c14nnc5s1.CC3=O.N34 |
33464 | CC1CCN(c2ncnc3c2[nH]c2ccccc23)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] | c14ncnc2c1[nH]c1ccccc12.CC1CCN4CC1 |
33465 | O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc2oc7nc2c1.c17cccnc1.c16ccccc1.O=C46.N45 |
33466 | Cc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][N][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][N][C][C][=C][Ring2][Ring1][Ring1] | n14c(C)c2c(C)nnc(C)c2c1C.Cc1ccc4cc1 |
33467 | Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccco1 | [N][N][C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | c15nc2ccccc2[nH]1.Nn1c6nnc17.c17ccco1.S46.C45 |
33468 | CCN(CCO)C(=O)C(c1ccccc1)c1ccccc1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c16ccccc1.C2(=O)C56.N234.C4CO.CC3 |
33469 | Cc1ccccc1-n1c(=O)c2c3c(sc2n2cnnc12)CCC3 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][=C][S][C][=Ring1][Branch1][N][C][=N][N][=C][Ring1][=N][Ring1][Branch1][C][C][C][Ring1][N] | n14c(=O)c2c3c(sc2n2cnnc12)CCC3.Cc1ccccc14 |
33470 | COc1ccc(C(=O)NC(C)c2cc(OC)ccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Branch1] | c19cc5ccc16.c14ccc8cc1.C38=O.C79C.CO4.N37.O5C.O6C |
33471 | Nn1c(CCCc2ccccc2)nc2sc3c(c2c1=O)CCC3 | [N][N][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Ring2][Ring1][C][=O][C][C][C][Ring1][Branch2] | Nn1c4nc2sc3c(c2c1=O)CCC3.c15ccccc1.C4CC5 |
33472 | CCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1N | [C][C][C][=N][N][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][Ring2][Ring1][C][N] | c15ccc(Cl)c(Cl)c1.c16nnc7n1N.C4C3=O.CC6.S47.N35 |
33473 | CC(C)N(CCO)C(=O)C(c1ccccc1)c1ccccc1 | [C][C][Branch1][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c16ccccc1.C2(=O)C56.CC3C.N234.C4CO |
33475 | O=C(NCc1ccc2c(c1)OCO2)NC(C(F)(F)F)C(F)(F)F | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | c17ccc2c(c1)OCO2.C6(C(F)(F)F)C(F)(F)F.O=C34.N35.C57.N46 |
33476 | CC(NC(=O)Nc1ccccc1O)(C(F)(F)F)C(F)(F)F | [C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | CC4(C(F)(F)F)C(F)(F)F.c15ccccc1O.C23=O.N24.N35 |
33477 | Fc1ccccc1C1CC(c2ccccc2)=Nc2nnnn21 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][N][=N][N][Ring1][Branch1][Ring1][#C] | Fc1ccccc1C1CC(c2ccccc2)=Nc2nnnn21 |
33479 | CN(CCO)C(=O)C(c1ccccc1)c1ccccc1 | [C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c15ccccc1.C2(=O)C45.CN23.C3CO |
33481 | Cc1ccc(C(CC(=O)N2CCCC2)c2ccco2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.C45CC3=O.N13CCCC1.c14ccco1 |
33482 | COC(=O)CCc1c(C)nn(-c2ccccc2)c1C | [C][O][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C] | c14c(C)nn5c1C.c15ccccc1.C3(=O)CC4.CO3 |
33483 | Cn1ccnc1C(O)c1ccc(OCc2ccccc2)cc1 | [C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c16ccc4cc1.Cn1ccnc15.c17ccccc1.C56O.O34.C37 |
33484 | COC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3C | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#Branch2][C][C][C][C][Ring1][=Branch2][C] | c16nc(N)c2c3c(sc2n1)CCCC3C.C4(=O)C5.CO4.S56 |
33487 | O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc2oc7nc2c1.c17ccncc1.c16ccccc1.O=C46.N45 |
33488 | COc1ccc(C2CC(c3cccs3)=Nc3nnnn32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=N][N][=N][N][Ring1][Branch1][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c14ccc(C2CC(c3cccs3)=Nc3nnnn32)cc1.CO4 |
33489 | O=C(NCCc1ccc(F)cc1)c1coc(=O)c(Br)c1 | [O][=C][Branch1][#C][N][C][C][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.c15ccc(F)cc1.O=C24.C3C5.N23 |
33490 | Cc1cccc(OCc2nnc(NC(=O)c3cccs3)s2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][=N][=C][Ring2][Ring1][Branch1] | Cc1cccc6c1.c19nnc7s1.c18cccs1.C48=O.O56.C59.N47 |
33492 | CC1C(=O)OC(c2ccc(Cl)cc2)C(C)(C)C1=O | [C][C][C][=Branch1][C][=O][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][S][=O] | CC1C(=O)OC3C(C)(C)C1=O.c13ccc(Cl)cc1 |
33493 | COc1ccc(-n2c(SC)nc3ccccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][Branch1][Ring1][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | n15c6nc2ccccc2c1=O.c14ccc5cc1.CO4.S6C |
33494 | COc1cccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][Ring1] | c17c[nH]c(=O)[nH]c1=O.c15cccc6c1.C4C3=O.CO5.O46.N37 |
33495 | OC(Cc1nc2ccccc2s1)C(Cl)(Cl)Cl | [O][C][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | c13nc2ccccc2s1.OC(C3)C(Cl)(Cl)Cl |
33496 | CC(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 | [C][C][Branch2][Ring1][N][N][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.CC34.N23 |
33497 | COc1ccc2c(c1OC)C(=O)N(c1cccc(C(F)(F)F)c1)C2 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1] | c13ccc2c(c14)C(=O)N6C2.c16cccc5c1.C5(F)(F)F.CO3.O4C |
33498 | Cc1nnc(C)c2c(C)n(Cc3ccccc3)c(C)c12 | [C][C][=N][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Ring1][=C] | Cc1nnc(C)c2c(C)n4c(C)c12.c15ccccc1.C45 |
33499 | COc1ccccc1-c1cc(=O)oc(-c2cccs2)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][N] | c15cc(=O)oc4n1.c13ccccc15.c14cccs1.CO3 |
33501 | O=c1c2[nH]c3ccc(Cl)cc3c2ncn1Cc1ccncc1 | [O][=C][C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][=C][N][Ring1][=C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=c1c2[nH]c3ccc(Cl)cc3c2ncn14.c15ccncc1.C45 |
33502 | Cc1ccccc1-n1c(=O)c2c3c(sc2n2c(C)nnc12)CCC3 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][P][S][C][=Ring1][Branch1][N][C][Branch1][C][C][=N][N][=C][Ring1][=C][Ring1][=Branch1][C][C][C][Ring1][=N] | n14c(=O)c2c3c(sc2n2c(C)nnc12)CCC3.Cc1ccccc14 |
33503 | CC(=O)Nc1cccc2ccc(-c3cnc4ccccc4c3)nc12 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][Ring2][Ring1][S] | c16cccc2ccc7nc12.c17cnc2ccccc2c1.CC5=O.N56 |
33504 | O=C(CC(Cc1ccccc1)c1ccco1)Nc1nccs1 | [O][=C][Branch2][Ring1][Branch1][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1][N][C][=N][C][=C][S][Ring1][Branch1] | O=C2CC4C5.c15ccccc1.c14ccco1.c13nccs1.N23 |
33505 | COc1ccc2c(c1)C(=O)CC(O)(C(F)(F)C(F)(F)F)O2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][S] | c13ccc2c(c1)C(=O)CC4(O)O2.C4(F)(F)C(F)(F)F.CO3 |
33507 | CC(C)C(=O)Nc1nnc(CC(=O)NCc2ccccc2)s1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] | c16nnc7s1.c18ccccc1.CC(C)C3=O.C7C4=O.N36.N45.C58 |
33508 | CCOc1ccc(-c2[nH]c3c(=O)n(C)c(=O)n(C)c3c2O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][C][NH1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][C][=Ring1][=N][O][C][=C][Ring2][Ring1][Ring2] | c16[nH]c2c(=O)n(C)c(=O)n(C)c2c1O.c15ccc6cc1.CC4.O45 |
33509 | CNc1ccc(Br)cc1C(O)c1ccccc1 | [C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccc(Br)cc13.c14ccccc1.C34O.CN2 |
33510 | Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1N | [C][C][=C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=C][Ring1][S][N] | Cc1cc2nn4nc2cc1N.c14ccc(Cl)cc1 |
33512 | COc1ccc(Cc2nc3sc4c(c3c(=O)n2N)CCCC4)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][N][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c16nc2sc3c(c2c(=O)n1N)CCCC3.c15ccc7cc1.CO5.C67 |
33513 | C1=Nc2c(NCc3ccccc3)ncnc2Oc2ccccc21 | [C][=N][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][Ring1][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | C1=Nc2c5ncnc2Oc2ccccc21.c16ccccc1.N45.C46 |
33514 | CCCc1nc2ccccc2c(=O)n1-c1ccccc1 | [C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc2ccccc2c(=O)n14.c14ccccc1.CCC3 |
33515 | COc1ccc(OC)c(C(C)NC(=O)CC(C)C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Ring1][P] | c13ccc4c6c1.C2(=O)CC(C)C.C56C.CO3.O4C.N25 |
33516 | CCOC(=O)c1sc(C)c2c1NC(C)(c1cccs1)NC2=O | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][C][Branch1][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][Ring1][N][=O] | c15sc(C)c2c1NC6(C)NC2=O.c16cccs1.C35=O.CC4.O34 |
33517 | COc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc6cc15.n17nnc8n1.c18ccccc1.C6(=O)C7.CO4.O5C |
33518 | O=C(COc1ccccc1)NC1=NCC(=O)N1c1ccccc1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N2C1=NCC(=O)N15.c14ccccc1.c15ccccc1.O=C2C3.O34 |
33519 | Cc1cc(Oc2ccc(C#N)cc2)nc(N2CCOCC2)n1 | [C][C][=C][C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc3nc5n1.c14ccc(C#N)cc1.N15CCOCC1.O34 |
33520 | Cc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | n14c5nc2ccccc2c1=O.Cc1ccccc14.C3C(N)=O.S35 |
33521 | CCOC(=O)N1CCN(c2ncnc3c2[nH]c2ccc(C)cc23)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2] | c17ncnc2c1[nH]c1ccc(C)cc12.N15CCN7CC1.C45=O.CC6.O46 |
33523 | COc1ccc2c(c1)C(=O)CC(O)(C(F)(F)C(F)F)O2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][=N][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][O][Ring1][#C] | c13ccc2c(c1)C(=O)CC4(O)O2.C4(F)(F)C(F)F.CO3 |
33524 | COC(=O)Cn1cnc2c([nH]c3ccc(Br)cc32)c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][#C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring1][=C][=O] | n15cnc2c([nH]c3ccc(Br)cc32)c1=O.C4(=O)C5.CO4 |
33526 | CCOc1ccc(-n2nnnc2SCC(=O)c2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc7cc1.n17nnnc18.c16ccccc1.C5C6=O.CC3.O34.S58 |
33527 | COc1ccc(-c2[nH]c3c(=O)n(C)c(=O)n(C)c3c2O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][NH1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][C][=Ring1][=N][O][C][=C][Ring2][Ring1][Ring2] | c15[nH]c2c(=O)n(C)c(=O)n(C)c2c1O.c14ccc5cc1.CO4 |
33528 | CC(C)CC(=O)Nc1nnc(COc2ccccc2Cl)s1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring1][=C] | c15ccccc1Cl.CC(C)CC3=O.c16nnc7s1.N36.C47.O45 |
33530 | Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1 | [N][N][C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][N][=C][Ring1][S][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15nc2ccccc2[nH]1.Nn1c6nnc17.c17ccncc1.S46.C45 |
33531 | CC(=O)Nc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1 | [C][C][=Branch1][C][=O][N][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] | c14ccc(S(=O)(=O)n2nc(C)cc2C)cc1.CC3=O.N34 |
33532 | CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c18ccc5cc1.c16ccc7cc1.CC8(C)C.C4C3=O.C7(N)=O.O45.N36 |
33533 | COc1ccccc1OCC(=O)Nc1ccccc1C#N | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N] | c16ccccc1C#N.c14ccccc15.C3C2=O.CO4.O35.N26 |
33534 | COc1ccccc1OCC(=O)Nc1ccc(F)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccccc15.c16ccc(F)cc1.C3C2=O.CO4.O35.N26 |
33535 | COc1ccccc1OCC(=O)Nc1ccccc1Cl | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccccc15.c16ccccc1Cl.C3C2=O.CO4.O35.N26 |
33536 | COc1ccccc1OCC(=O)Nc1ccc(Br)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccccc15.c16ccc(Br)cc1.C3C2=O.CO4.O35.N26 |
33538 | COc1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2] | c16ccc(C)c(C)c1.c14ccccc15.C3C2=O.CO4.O35.N26 |
33539 | COc1ccccc1OCC(=O)NC(C)c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc15.c17ccccc1.C3C2=O.C67C.CO4.O35.N26 |
33541 | CCC(C)c1ccccc1OCC(=O)Nc1ccc(NC(C)=O)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c18ccccc15.c16ccc7cc1.CCC8C.C4C2=O.C3(C)=O.O45.N26.N37 |
33542 | COc1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c17ccc(S(N)(=O)=O)cc1.c15ccc6cc1.C4C3=O.CO5.O46.N37 |
33544 | CCN(C(=O)COc1ccc(OC)cc1)c1ccccc1 | [C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc5cc1.c17ccccc1.C2(=O)C3.N267.CC6.O34.O5C |
33545 | CC(C)(C)c1ccc(C(=O)Nc2ccncc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc5cc1.c14ccncc1.CC6(C)C.C35=O.N34 |
33546 | Cc1c(O)nc(SCC(N)=O)n(-c2ccc(F)cc2)c1=O | [C][C][=C][Branch1][C][O][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O] | Cc1c(O)nc5n4c1=O.c14ccc(F)cc1.C3C(N)=O.S35 |
33547 | COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)C1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][P] | C4(=O)C1=C(C)N5C(=O)C1.c15cccc2ccccc12.CO4 |
33548 | COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)C1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][O][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][#C] | C3(=O)C1=C(C)N4C(=O)C1.C4CC1=CCCCC1.CO3 |
33549 | COC(=O)C1=C(C)N(C(C)c2ccccc2)C(=O)C1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][#C] | C3(=O)C1=C(C)N4C(=O)C1.c15ccccc1.C45C.CO3 |
33551 | O=C(Nc1cccc2c(NC(=O)C3CC3)cccc12)C1CC1 | [O][=C][Branch2][Ring1][N][N][C][=C][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][Ring1][S][Ring1][N][C][C][C][Ring1][Ring1] | c16cccc2c7cccc12.O=C48.C59=O.C19CC1.C18CC1.N46.N57 |
33554 | CCN(CC)C(=O)COc1ccc(Br)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.C2(=O)C3.N256.CC5.C6C.O34 |
33558 | CCCn1nnnc1NC(=O)c1cc(C)cc(C)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2] | c14cc(C)cc(C)c1.n15nnnc13.CCC5.C24=O.N23 |
33559 | Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)OCCO3)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c15ccc2c(c1)OCCO2.Cc1cc6cc(C)c1.C46=O.N45 |
33561 | CCC(C)Oc1cccc(C(=O)Nc2ccccc2C(N)=O)c1 | [C][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][C] | c15cccc7c1.c16ccccc18.CCC4C.C37=O.C8(N)=O.O45.N36 |
33562 | CC(C)Oc1cccc(C(=O)Nc2ccccc2C(N)=O)c1 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][C] | c15cccc7c1.c16ccccc18.CC4C.C37=O.C8(N)=O.O45.N36 |
33563 | COc1ccccc1C(=O)Nc1ccccc1C(N)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | c13ccccc15.c14ccccc16.C25=O.C6(N)=O.CO3.N24 |
33564 | CCC(C)Oc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 | [C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c16ccccc18.CCC4C.C37=O.C8(N)=O.O45.N36 |
33565 | NC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c17ccccc16.c18ccc9cc1.c15ccccc1.NC7=O.C38=O.N36.C49.O45 |
33566 | Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C][C] | Cc1ccc5cc1C.c14ccccc16.C35=O.C6(N)=O.N34 |
33568 | CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2] | c18ccc5cc1.c16ccccc17.CC8(C)C.C4C3=O.C7(N)=O.O45.N36 |
33569 | O=C(Nc1cccc(F)c1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14cccc(F)c1.O=C35.N34 |
33570 | CCc1cccc(C)c1NC(=O)c1ccc(F)cc1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15cccc(C)c13.c14ccc(F)cc1.C24=O.CC5.N23 |
33573 | CCc1cccc(C)c1NC(=O)c1ccc2c(c1)OCCO2 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c16cccc(C)c14.C35=O.CC6.N34 |
33574 | COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][Cl] | c14ccc6cc1Cl.c15cccc7c1.C36=O.C7(C)=O.CO4.N35 |
33575 | COc1ccc(C(=O)Nc2ccccc2C#N)cc1Br | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring1][P][Br] | c14ccc6cc1Br.c15ccccc1C#N.C36=O.CO4.N35 |
33579 | N#Cc1ccccc1NC(=O)c1ccc2c(c1)OCCO2 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.N#Cc1ccccc14.C35=O.N34 |
33583 | Cc1cc(C)nc(NC(=O)c2ccc3ccccc3c2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | c16ccc2ccccc2c1.Cc1cc(C)nc5n1.C46=O.N45 |
33585 | Cc1ccc2[nH]c(CNC(=O)c3ccccc3)nc2c1 | [C][C][=C][C][=C][NH1][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2[nH]c7nc2c1.c16ccccc1.C46=O.C57.N45 |
33589 | Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.Cc1ccc(Cl)cc14.C35=O.N34 |
33591 | COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c18ccc2c(c1)OCCO2.c15ccc7c6c1.C48=O.CO5.N47.O6C |
33592 | O=C(Nc1ccccc1Br)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14ccccc1Br.O=C35.N34 |
33593 | O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14ccc(F)c(Cl)c1.O=C35.N34 |
33595 | CC(=O)c1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][O][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | c14c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2.CC4=O |
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