ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
25395 | CSc1cc(C)c(OC(=O)Nc2c(C)cccc2C)c(CO)c1 | [C][S][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][Branch1][Ring1][C][O][=C][Ring2][Ring1][Branch1] | c18cc7c5c(C)c1.c16c(C)cccc1C.C34=O.CS8.O35.N46.C7O |
25398 | COc1ccc(OC)c(NC(=O)Oc2ccc(F)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c15ccc6c8c1.c17ccc(F)cc1.C34=O.CO5.O6C.N48.O37 |
25401 | COc1ccc(OC)c(NC(=O)Oc2ccc(NC(C)=O)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] | c16ccc7c9c1.c18ccc%10cc1.C34=O.C5(C)=O.CO6.O7C.N49.O38.N5%10 |
25403 | COc1ccc(OC)c(NC(=O)Nc2ccc(O)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c15ccc6c7c1.c18ccc(O)cc1.C34=O.CO5.O6C.N37.N48 |
25404 | COc1ccc(OC)c(NC(=O)Oc2cccc(NC(C)=O)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] | c16ccc7c9c1.c18cccc%10c1.C34=O.C5(C)=O.CO6.O7C.N49.O38.N5%10 |
25405 | COc1ccc(OC)c(NC(=O)N(C)Cc2ccccc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c15ccc6c8c1.c19ccccc1.C34=O.N47C.CO5.O6C.N38.C79 |
25407 | COC(=O)c1cc(OC)c(OC)c(OC)c1Br | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][Br] | c16cc3c4c5c1Br.C26=O.CO2.O3C.O4C.O5C |
25408 | CC(=O)Nc1ccc(OC(=O)Nc2ccc(F)c(Cl)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c18ccc(F)c(Cl)c1.c17ccc6cc1.CC4=O.C35=O.N47.O36.N58 |
25409 | COc1ccc(NC(=O)Oc2ccccc2C(N)=O)c(Cl)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2] | c15ccc7c(Cl)c1.c16ccccc18.C34=O.C8(N)=O.CO5.N47.O36 |
25410 | COc1ccc(NC(=O)Oc2ccccc2F)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c15ccc8c7c1.c16ccccc1F.C34=O.CO5.N48.O36.O7C |
25411 | CC(=O)Nc1ccc(OC(=O)Nc2cccc(Cl)c2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][C] | c18cccc(Cl)c1Cl.c17ccc6cc1.CC4=O.C35=O.N47.O36.N58 |
25412 | COc1ccc(NC(=O)Oc2ccccc2C(N)=O)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15ccc8c7c1.c16ccccc19.C34=O.C9(N)=O.CO5.N48.O36.O7C |
25413 | COc1cccc(OC)c1OC(=O)Nc1ccc(F)cc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cccc5c16.c17ccc(F)cc1.C23=O.CO4.O5C.O26.N37 |
25415 | CSc1cccc(NC(=O)N2CCCCC2C)c1 | [C][S][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S] | c16cccc5c1.N14CCCCC1C.C34=O.CS6.N35 |
25420 | COc1cc(NC(=O)C(C)C)cc(OC)c1Cl | [C][O][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][=C][Cl] | c13cc5cc4c1Cl.C2(=O)C(C)C.CO3.N25.O4C |
25421 | CNC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 | [C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C] | c16cc7cc8c1.C45=O.C27=O.C38=O.CN4.N56.O2C.O3C |
25424 | CCC(=O)c1ccc(OC(=O)Nc2ccc(OC)cc2)cc1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c18ccc5cc1.c17ccc6cc1.CCC8=O.C34=O.O35.N47.O6C |
25425 | CN(C)C(=O)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Cl)c(Cl)c1.S4(C)(=O)=O.CN2C.C23=O.N345 |
25426 | CS(=O)(=O)NC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.CS4(=O)=O.C23=O.N24.N35 |
25427 | CCOC(=O)N(c1ccc(Cl)cc1)S(C)(=O)=O | [C][C][O][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc(Cl)cc1.S5(C)(=O)=O.C23=O.N356.CC4.O24 |
25428 | COC(=O)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(Cl)c(Cl)c1.S4(C)(=O)=O.C23=O.N345.CO2 |
25429 | CCOC(=O)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O | [C][C][O][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc(Cl)c(Cl)c1.S5(C)(=O)=O.C23=O.N356.CC4.O24 |
25430 | COC(=O)N(c1cccc(Cl)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc(Cl)c1.S4(C)(=O)=O.C23=O.N345.CO2 |
25431 | COc1cc(CC(=O)OC(C)(C)C)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] | c14cc7cc5c16.C7C2=O.C3(C)(C)C.CO4.O23.O5C.O6C |
25432 | C=C(C)Cn1c(N(C)C)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.C=C(C)C4.N3(C)C |
25433 | O=c1cc(-c2ccccc2O)nc2n1CCCCC2 | [O][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=C][N][Ring1][=N][C][C][C][C][C][Ring1][#Branch1] | O=c1cc3nc2n1CCCCC2.c13ccccc1O |
25434 | COc1ccc(C(=O)Cn2cnc3c(=O)[nH]c(=O)n(C)c32)c(F)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][=Branch2][Ring1][N][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1] | n16cnc2c(=O)[nH]c(=O)n(C)c21.c14ccc5c(F)c1.C5(=O)C6.CO4 |
25435 | COc1ccc(NC(=O)CSc2nc3n(n2)CCCCC3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c18nc2n(n1)CCCCC2.c15ccc7cc1.C4(=O)C6.CO5.N47.S68 |
25436 | COc1cc(-c2cc(=O)n3c(n2)CCCCC3)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][N][C][=Branch1][Ring2][=N][Ring1][#Branch1][C][C][C][C][C][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c17cc(=O)n2c(n1)CCCCC2.c14cc7cc5c16.CO4.O5C.O6C |
25437 | O=c1cc(-c2ccc(F)cc2)nc2n1CCCCC2 | [O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][=N][C][C][C][C][C][Ring1][#Branch1] | O=c1cc3nc2n1CCCCC2.c13ccc(F)cc1 |
25438 | C=CCn1nnsc1=NCC(=O)Nc1ccc(OC)cc1 | [C][=C][C][N][N][=N][S][C][Ring1][Branch1][=N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | n15nnsc1=NCC2=O.c14ccc3cc1.C=CC5.N24.O3C |
25439 | Cc1nnc(SCC(=O)Nc2ccccc2)n1N | [C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][N] | Cc1nnc6n1N.c15ccccc1.C4C3=O.S46.N35 |
25440 | CCOc1cc(-c2cc(=O)n3c(n2)CCCCC3)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][N][C][=Branch1][Ring2][=N][Ring1][#Branch1][C][C][C][C][C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][C][O] | c16cc(=O)n2c(n1)CCCCC2.c15cc6ccc1O.CC4.O45 |
25441 | COC(=O)c1ccc(NC(=O)CSc2nnc(C)n2N)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][N][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c18nnc(C)n1N.C4(=O)C5.C37=O.CO3.N46.S58 |
25442 | Cc1ccc(-c2cc(=O)n3c(n2)CCCCC3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][N][C][=Branch1][Ring2][=N][Ring1][#Branch1][C][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c14cc(=O)n2c(n1)CCCCC2.Cc1ccc4cc1 |
25443 | CCOc1ccc(C(=O)CSc2nnc(C)n2N)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][N][C][=C][Ring1][P] | c14ccc6cc1.c17nnc(C)n1N.C6(=O)C5.CC3.O34.S57 |
25444 | O=C(CSc1nc2n(n1)CCCCC2)c1cccs1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] | c15nc2n(n1)CCCCC2.c14cccs1.O=C4C3.S35 |
25445 | C=CCn1nnsc1=NCC(=O)c1ccc(OC)cc1 | [C][=C][C][N][N][=N][S][C][Ring1][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | n14nnsc1=NCC3=O.c13ccc2cc1.C=CC4.O2C |
25446 | COC(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][NH1][Ring1][Branch1][C][=C][Ring1][S] | c17ccc6cc1.c18ncn[nH]1.C4(=O)C5.C37=O.CO3.N46.S58 |
25447 | COc1ccc(C(CC#N)C(C#N)c2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][Ring2][C][C][#N][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c13ccc5cc14.C5(CC#N)C6C#N.c16ccccc1.CO3.O4C |
25449 | Nc1ccc(SCC(=O)Nc2ccc(Br)cc2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | Nc1ccc6cc1.c15ccc(Br)cc1.C4C3=O.S46.N35 |
25450 | Cn1ccnc1SCC(=O)Nc1ccccc1Br | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.Cn1ccnc15.C3C2=O.S35.N24 |
25451 | Cc1cc(NC(=O)CSc2nnnn2C)ccc1Br | [C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Ring1][P][Br] | Cc1cc5ccc1Br.c16nnnn1C.C3(=O)C4.N35.S46 |
25453 | CC(=O)Oc1ccc(OC(C)=O)c2c1CCCCC2=O | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][C][C][C][C][Ring1][#Branch1][=O] | c15ccc6c2c1CCCCC2=O.CC3=O.C4(C)=O.O35.O46 |
25455 | Cc1ccc(S(=O)(=O)Nc2ccccc2CO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][Ring2][Ring1][C] | Cc1ccc(S3(=O)=O)cc1.c14ccccc15.N34.C5O |
25456 | [O-][S+](c1ccc(O)cc1O)c1ccc(O)cc1O | [O-1][S+1][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | [O-][S+](c1ccc(O)cc1O)c1ccc(O)cc1O |
25459 | COC(=O)C1C(OC)CC(C(=O)CO)CC1OC | [C][O][C][=Branch1][C][=O][C][C][Branch1][Ring1][O][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][Ring1][N][O][C] | C15C3CC6CC14.C6(=O)CO.C25=O.CO2.O3C.O4C |
25460 | CCOC(=O)c1cn(C(=O)OCC)c2ccccc12 | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] | c17cn(C4=O)c2ccccc12.C37=O.CC5.O35.O46.C6C |
25461 | CC(=O)Oc1c2ccccc2cc2c(O)ccc(O)c12 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][S][Ring1][Branch2] | c14c2ccccc2cc2c(O)ccc(O)c12.CC3=O.O34 |
25462 | CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c(C)c1C | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][=C][Ring1][#C][C] | c15cc6c7c(C)c1C.CC2=O.C3(C)=O.C4(C)=O.O25.O36.O47 |
25463 | CCOC(=O)c1ccc(NC(=O)CSc2nnc(C)s2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][P] | c18ccc7cc1.c19nnc(C)s1.C4(=O)C6.C38=O.CC5.O35.N47.S69 |
25464 | COc1cc(CS(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | C5S(=O)(=O)c1ccc(Cl)cc1.c13cc4cc5c1.CO3.O4C |
25465 | NC(=O)CNC(=O)c1ccc(Br)cc1 | [N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.NC(=O)C3.C24=O.N23 |
25467 | CCOC1(OCC)CCN(S(=O)(=O)c2ccc(C)cc2)CC1 | [C][C][O][C][Branch1][Ring2][O][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1] | S7(=O)(=O)c1ccc(C)cc1.C156CCN7CC1.CC3.O35.O46.C4C |
25471 | Cc1ccc(NC(=O)C(O)CC(=O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | C3(=O)C(O)CC5=O.Cc1ccc4cc1.c15ccccc1.N34 |
25472 | COc1cc(Br)c(N)c(Br)c1 | [C][O][C][=C][C][Branch1][C][Br][=C][Branch1][C][N][C][Branch1][C][Br][=C][Ring1][=Branch2] | c12cc(Br)c(N)c(Br)c1.CO2 |
25473 | CC(=O)Nc1ccc(OC(=O)Nc2ccccc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P] | c17ccc6cc1.c18ccccc1Cl.CC4=O.C35=O.N47.O36.N58 |
25476 | COc1ccc(NC(=O)N2C(C)CCCC2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][C][=C][Ring1][P] | N14C(C)CCCC1C.c15ccc6cc1.C34=O.CO5.N36 |
25477 | CCOc1ccccc1OC(=O)Nc1ccc(OC)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c15ccccc16.c18ccc7cc1.C23=O.CC4.O45.O26.N38.O7C |
25479 | COc1ccc(NC(=O)Oc2ccc(SC)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c16ccc8cc1.C34=O.CO5.N47.O36.S8C |
25481 | CCOC(=O)Cc1c(C)[nH]c(C(=O)OCC)c1C | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][NH1][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][O][C] | c17c(C)[nH]c6c1C.C2(=O)C7.C36=O.CC4.O24.O35.C5C |
25483 | CC(=O)N(C)c1ccc(NC(=O)Cc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc6cc1.c17ccccc1.C4(=O)C7.CC3=O.N35C.N46 |
25488 | CCOC(=O)CN(C)c1cc(NC(C)=O)ccc1OC | [C][C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][O][C] | c17cc8ccc15.C2(=O)C6.N67C.C3(C)=O.CC4.O24.N38.O5C |
25489 | COc1ccc(OC)c(NC(=O)NCc2ccccn2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c15ccc6c8c1.c19ccccn1.C34=O.CO5.O6C.N38.N47.C79 |
25490 | COc1ccc(NC(=O)n2cnc3ccccc32)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | C4(=O)n1cnc2ccccc21.c15ccc7c6c1.CO5.N47.O6C |
25491 | CSc1ccc(NC(=O)n2cnc3ccccc32)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | C4(=O)n1cnc2ccccc21.c16ccc5cc1.CS6.N45 |
25492 | COc1cccc(OC)c1OC(=O)Nc1ccc(SC)cc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] | c14cccc5c16.c17ccc8cc1.C23=O.CO4.O5C.O26.N37.S8C |
25493 | O=C(Nc1ncccn1)Nc1cccc(Cl)c1Cl | [O][=C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c15cccc(Cl)c1Cl.c14ncccn1.O=C23.N24.N35 |
25494 | O=C(Nc1cccc(Cl)c1Cl)Nc1ncccc1O | [O][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O] | c15cccc(Cl)c1Cl.c14ncccc1O.O=C23.N25.N34 |
25496 | CCc1cccc(CC)c1NC(=O)NCc1ccccn1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c17cccc8c15.c16ccccn1.C23=O.CC7.C8C.N25.N34.C46 |
25497 | CCc1cccc(CC)c1NC(=O)NCCc1ccccn1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c17cccc8c15.c16ccccn1.C23=O.C4C6.CC7.C8C.N25.N34 |
25500 | COc1cc(NC(=O)C(C)(C)C)ccc1NC(C)=O | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=N][N][C][Branch1][C][C][=O] | c14cc5ccc16.C2(=O)C(C)(C)C.C3(C)=O.CO4.N25.N36 |
25501 | CC1CCCN(C(=O)Nc2cc(F)ccc2F)C1 | [C][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][Ring1][P] | c15cc(F)ccc1F.CC1CCCN3C1.C34=O.N45 |
25502 | CCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C] | c15cc6cc7c1.CCC4=O.C26=O.C37=O.N45.O2C.O3C |
25503 | CCC(=O)Nc1cc(Cl)c(Cl)cc1NC(=O)CC | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C] | c14cc(Cl)c(Cl)cc15.CCC2=O.C3(=O)CC.N24.N35 |
25504 | CCC(=O)Nc1c(C)cc(Br)cc1C | [C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C] | c13c(C)cc(Br)cc1C.CCC2=O.N23 |
25506 | C#CC(O)(Cc1ccc(OC)cc1)c1ccc(OC)cc1 | [C][#C][C][Branch1][C][O][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c15ccc2cc1.c14ccc3cc1.C#CC4(O)C5.O2C.O3C |
25507 | O=C(OC1OC(CO)C(O)C1O)c1ccccc1 | [O][=C][Branch1][P][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C13OC5C(O)C1O.c14ccccc1.O=C24.O23.C5O |
25508 | CCOC(=O)CC1(C)OCC(c2ccccc2)O1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][N] | C15(C)OCC6O1.c16ccccc1.C3(=O)C5.CC4.O34 |
25510 | COc1cc(Br)c(CC(O)CO)cc1OC | [C][O][C][=C][C][Branch1][C][Br][=C][Branch1][Branch2][C][C][Branch1][C][O][C][O][C][=C][Ring1][N][O][C] | c12cc(Br)c4cc13.C4C(O)CO.CO2.O3C |
25511 | CC(=O)Oc1cc(C)c(OC(C)=O)c(OC(C)=O)c1C | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#C][C] | c15cc(C)c6c7c1C.CC2=O.C3(C)=O.C4(C)=O.O25.O36.O47 |
25512 | COc1ccc(CC(O)CO)cc1OCc1ccccc1 | [C][O][C][=C][C][=C][Branch1][Branch2][C][C][Branch1][C][O][C][O][C][=C][Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc5cc14.c16ccccc1.C5C(O)CO.CO3.O24.C26 |
25513 | CCOC(=O)CC(O)(Cc1ccccc1)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)CC4(O)C5.c15ccccc1.c14ccccc1.CC3.O23 |
25515 | CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c(C(C)(C)C)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C] | c15cc6c7c8c1.C8(C)(C)C.CC2=O.C3(C)=O.C4(C)=O.O25.O36.O47 |
25517 | CCOC(=O)Sc1nnnn1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnnn14.c14ccccc1.C2(=O)S5.CC3.O23 |
25518 | COc1ccccc1NC(=O)CC(O)c1cccc(N)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1] | c13ccccc14.c15cccc(N)c1.C2(=O)CC5O.CO3.N24 |
25519 | CCOC(=O)COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | c16ccc(S(=O)(=O)c2ccc(O)cc2)cc1.C3(=O)C5.CC4.O34.O56 |
25520 | Cc1cc(N(CCO)CCO)nc(Nc2ccccc2)n1 | [C][C][=C][C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc5nc6n1.c17ccccc1.N345.C3CO.C4CO.N67 |
25522 | COc1ccc(-n2ccn(-c3ccccc3)c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] | c14ccc5cc1.n15ccn6c1=O.c16ccccc1.CO4 |
25523 | Cn1c(=O)[nH]c(=O)c2c1n1cnnc1n2Cc1ccccc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][C][=N][N][=C][Ring1][Branch1][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1n1cnnc1n23.c14ccccc1.C34 |
25525 | COc1ccc(C2Sc3ccccc3NC(=O)C2OC(C)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][N][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][=Branch1] | C17Sc2ccccc2NC(=O)C15.c16ccc7cc1.C4(C)=O.CO6.O45 |
25526 | c1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | c15ncnc2c1ncn27.c1ccc6cc1.C17CCCCO1.C46.N45 |
25527 | O=C1NC(Cc2cnc[nH]2)C(=O)NC1Cc1ccccc1 | [O][=C][N][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1NC3C(=O)NC14.c16ccccc1.c15cnc[nH]1.C35.C46 |
25528 | Nc1nc(N)c2ncn(C3CC(O)C(CO)O3)c2n1 | [N][C][=N][C][Branch1][C][N][=C][N][=C][N][Branch1][#C][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2][C][Ring1][=N][=N][Ring2][Ring1][C] | Nc1nc(N)c2ncn5c2n1.C15CC(O)C4O1.C4O |
25530 | O=C1CCC2(c3ccccc3)OCC(c3ccccc3)N12 | [O][=C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][Ring1][P] | O=C1CCC24OCC5N12.c14ccccc1.c15ccccc1 |
25531 | O=C(OCc1ccccc1)C(O)Cc1ccccc1 | [O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C2C(O)C5.c14ccccc1.c15ccccc1.O23.C34 |
25532 | O=C1CC2C(CC(OC(=O)c3ccccc3)C2CO)O1 | [O][=C][C][C][C][Branch2][Ring1][#Branch1][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][C][O][O][Ring2][Ring1][Ring1] | O=C1CC2C(CC5C27)O1.c16ccccc1.C46=O.O45.C7O |
25533 | COc1ccc(C2Sc3ccccc3NC(=O)C2O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][N][O][C][=C][Ring2][Ring1][Ring1] | C15Sc2ccccc2NC(=O)C1O.c14ccc5cc1.CO4 |
25534 | Cc1cc2c(cc1N)S(=O)(=O)c1cc(N)c(C)cc1-2 | [C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][S] | Cc1cc2c(cc1N)S(=O)(=O)c1cc(N)c(C)cc1-2 |
25535 | CC(C)(C)OC(=O)N1CC(=O)OCC1Cc1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CC(=O)OCC15.c16ccccc1.CC4(C)C.C23=O.O24.C56 |
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