ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
29369 | CC(=O)Nc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring1][P] | c16cc(C)cc(C)c1.c15ccc7cc1.CC3=O.C47=O.N35.N46 |
29370 | CCOc1ccccc1NC(=O)Cc1ccccc1OC | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c14ccccc16.c17ccccc15.C2(=O)C7.CC3.O34.N26.O5C |
29371 | CN(C)c1cccc(C(=O)n2nnc3ccccc32)c1 | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][P] | C5(=O)n1nnc2ccccc21.c14cccc5c1.CN4C |
29372 | CC(=O)c1cc(C#N)c(SCc2ccccn2)nc1C | [C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][O][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][S][C] | c14cc(C#N)c6nc1C.c15ccccn1.CC4=O.S36.C35 |
29374 | CCOc1ccc(N2C(=O)c3ccccc3C2(O)c2ncc[nH]2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][Branch1][C][O][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | N16C(=O)c2ccccc2C1(O)c1ncc[nH]1.c15ccc6cc1.CC4.O45 |
29375 | Cc1nc2n(Cc3ccccc3)c3ccccc3n2n1 | [C][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S][N][=Ring2][Ring1][Ring1] | Cc1nc2n4c3ccccc3n2n1.c15ccccc1.C45 |
29376 | CCc1cccc(C)c1NC(=O)c1ccc(NC(C)=O)cc1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c17cccc(C)c14.c16ccc5cc1.C26=O.C3(C)=O.CC7.N24.N35 |
29377 | COc1ccc(C(N)=O)cc1NC(=O)c1cccc(F)c1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c13ccc5cc14.c16cccc(F)c1.C5(N)=O.C26=O.CO3.N24 |
29380 | O=C(Nc1ccccc1Cl)C1COc2ccccc2O1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ccccc1Cl.O=C35.N34 |
29382 | N#Cc1c(N)c(C#N)c(-c2ccco2)c2c1CCCC2 | [N][#C][C][=C][Branch1][C][N][C][Branch1][Ring1][C][#N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][C][C][C][C][Ring1][=Branch1] | N#Cc1c(N)c(C#N)c3c2c1CCCC2.c13ccco1 |
29383 | COC(=O)c1ccc(Oc2ccc3nnc(C)n3n2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][N][=Ring1][#Branch2][C][=C][Ring1][P] | c15ccc2nnc(C)n2n1.c17ccc6cc1.C47=O.CO4.O56 |
29384 | O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccco1 | [O][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | c17nc2ccccc2o1.c15ccc(O)c7c1.c16ccco1.O=C46.N45 |
29386 | CSc1ccc(C2NC(=O)c3ccccc3N2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring1][P] | C15NC(=O)c2ccccc2N1.c14ccc5cc1.CS4 |
29387 | O=C(NCc1ccccc1Cl)C1COc2ccccc2O1 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c16ccccc1Cl.O=C35.N34.C46 |
29388 | O=c1[nH]c2sc3c(c2c(=O)n1-c1ccccc1)CCC3 | [O][=C][NH1][C][S][C][=C][Branch2][Ring1][Ring1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#C] | O=c1[nH]c2sc3c(c2c(=O)n14)CCC3.c14ccccc1 |
29389 | Cc1onc(-c2ccccc2)c1C(=O)N1CCCCCC1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | Cc1onc5c14.N13CCCCCC1.c15ccccc1.C34=O |
29390 | COC(=O)c1conc1-c1ccc(Br)cc1 | [C][O][C][=Branch1][C][=O][C][=C][O][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.c13conc14.C23=O.CO2 |
29392 | CC(=O)c1cc(F)c(N2CCN(C(=O)c3ccccc3)CC2)cc1C | [C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch1][C] | c16cc(F)c5cc1C.N15CCN4CC1.c17ccccc1.CC6=O.C47=O |
29393 | Clc1ccccc1CSc1cn2c(n1)CCC2 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1] | c15cn2c(n1)CCC2.Clc1ccccc14.C34.S35 |
29394 | COc1ccc(NC(=O)Cc2nc3ccccc3[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c17nc2ccccc2[nH]1.c15ccc6cc1.C4(=O)C7.CO5.N46 |
29395 | Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cn1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | Cc1nc2ccccc2c(=O)n13.c13ccc(Br)cn1 |
29396 | COC(=O)c1conc1-c1cccc(Br)c1 | [C][O][C][=Branch1][C][=O][C][=C][O][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14cccc(Br)c1.c13conc14.C23=O.CO2 |
29397 | COc1ccc(S(=O)(=O)NCc2ccncc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c13ccc(S6(=O)=O)cc14.c17ccncc1.CO3.N56.C57.O4C |
29398 | O=C1Nc2ccc(S(=O)(=O)NCc3ccccn3)c3cccc1c23 | [O][=C][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | O=C1Nc2ccc(S5(=O)=O)c3cccc1c23.c16ccccn1.N45.C46 |
29399 | NC(=O)NC(c1ccccc1)c1ccccc1Br | [N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c15ccccc1Br.c14ccccc1.NC2=O.C345.N23 |
29401 | CC(=O)Nc1ccccc1NC(=O)COc1ccccc1Cl | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16ccccc17.c15ccccc1Cl.C3(=O)C4.CC2=O.N26.N37.O45 |
29402 | O=C(COc1ccccc1Cl)NCc1ccc2c(c1)OCO2 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.c15ccccc1Cl.O=C3C4.O45.N36.C67 |
29403 | CC(=O)Nc1c(C(=O)NC(C)C)cnn1-c1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=N][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15c6cnn17.c17ccccc1.CC2=O.C36=O.C4(C)C.N25.N34 |
29406 | CC(=O)Nc1ccccc1NC(=O)c1cccc(Cl)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14ccccc15.c16cccc(Cl)c1.CC2=O.C36=O.N24.N35 |
29407 | COc1cc(NC(=O)COc2ccccc2Cl)cc(OC)c1 | [C][O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15cc7cc8c1.c16ccccc1Cl.C3(=O)C4.CO5.N38.O46.O7C |
29408 | CC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccccc15.c16ccc(Cl)cc1.CC2=O.C36=O.N24.N35 |
29410 | O=C(COc1ccc(Cl)cc1Br)N1CCOCC1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Br][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc(Cl)cc1Br.N12CCOCC1.O=C2C3.O34 |
29411 | COc1cccc(NC(=O)COc2ccccc2Cl)c1 | [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] | c15cccc7c1.c16ccccc1Cl.C3(=O)C4.CO5.N37.O46 |
29413 | Clc1ccccc1OCc1nc(-c2cccnc2)no1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O] | Clc1ccccc14.c15nc6no1.c16cccnc1.O34.C35 |
29415 | Cc1cc(Cl)ccc1OCc1nc(-c2ccncc2)no1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | Cc1cc(Cl)ccc14.c15nc6no1.c16ccncc1.O34.C35 |
29416 | NC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c15ccccc1Cl.C3(=O)C4.NC7=O.N36.O45 |
29417 | O=C(COc1ccccc1Cl)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15ccccc1Cl.O=C3C4.O45.N36 |
29418 | COc1ccccc1CNC(=O)COc1ccccc1Cl | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccccc17.c15ccccc1Cl.C2(=O)C3.CO4.C67.N26.O35 |
29420 | COc1ccc2c(c1OC)C(=O)OC2Nc1ccccc1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc2c(c14)C(=O)OC2N5.c15ccccc1.CO3.O4C |
29422 | COc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.c17ccc5cc1.O5C(F)F.C37=O.CO4.N36 |
29423 | O=S(=O)(c1cc(Cl)ccc1Br)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Br][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1cc(Cl)ccc1Br.N12CCOCC1 |
29424 | CNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1ccccc1.c16ccc3cc1.C2(=O)C4.N456.CN2.O3C |
29427 | Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(N)=O | [C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][Branch1][C][N][=O] | Cc1ccc(S3(=O)=O)cc15.c14ccccc1.C5(N)=O.N34 |
29428 | COc1cc(OC)c(NC(=O)c2cccnc2)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P][Cl] | c14cc5c6cc1Cl.c17cccnc1.C37=O.CO4.O5C.N36 |
29429 | CCOC(=O)c1c(NC(=O)Cc2cccs2)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][S][C][Branch1][C][C][=C][Ring1][#C][C] | c17c6sc(C)c1C.c18cccs1.C4(=O)C8.C37=O.CC5.O35.N46 |
29430 | O=C1NC2C(NC(=O)N2c2ccccc2)N1c1ccccc1 | [O][=C][N][C][C][Branch1][P][N][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1NC2C(NC(=O)N23)N14.c13ccccc1.c14ccccc1 |
29431 | COc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch2][=O][C][=C][Ring1][P] | n14c(C)cc(C)c(C#N)c1=O.c13ccc4cc1.CO3 |
29432 | COc1ccc(C(NC(N)=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc6cc1.c17ccccc1.C567.C3(N)=O.CO4.N35 |
29434 | O=S(=O)(Cc1ccccc1)N1CCc2ccccc21 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.c14ccccc1.O=S3(=O)C4 |
29435 | Cc1ccc(C(NC(N)=O)c2ccccc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C] | Cc1ccc5cc1C.c16ccccc1.C456.C3(N)=O.N34 |
29436 | COc1ccc(C(CC(=O)N2CCOCC2)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc5cc1.C56CC3=O.N13CCOCC1.c16ccccc1.CO4 |
29438 | CCN(CC)C(=O)c1c(-c2ccccc2Cl)noc1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][C][=Ring1][N][C] | c16c7noc1C.c17ccccc1Cl.N345.C36=O.CC4.C5C |
29439 | NC(=O)NC(c1ccccc1)c1cccc(Br)c1 | [N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c15cccc(Br)c1.c14ccccc1.NC2=O.C345.N23 |
29440 | CC(C)Cc1ccc(C(C)C(=O)N2CCOCC2)cc1 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S] | c14ccc5cc1.N13CCOCC1.C5(C)C3=O.CC(C)C4 |
29442 | c1ccc2c(-c3ncnc4ccccc34)ncnc2c1 | [C][=C][C][=C][C][Branch1][#C][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c1ccc2c5ncnc2c1.c15ncnc2ccccc12 |
29443 | CC1CC(C)CN(C(=O)c2cccc(Cl)c2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][S] | CC1CC(C)CN3C1.c14cccc(Cl)c1.C34=O |
29444 | O=C(Nc1ccc(Cl)c(Cl)c1)c1cnccn1 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1] | c13ccc(Cl)c(Cl)c1.c14cnccn1.O=C24.N23 |
29445 | CCOC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][#C] | c16ccc(S(=O)(=O)Nn2cnnc2)cc1.C34=O.CC5.O35.N46 |
29446 | CCSc1nnc(NC(=O)C2CC3CCC2C3)s1 | [C][C][S][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][S][Ring1][#C] | C17CC2CCC1C2.c18nnc6s1.C47=O.CC5.S58.N46 |
29447 | CCN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c16ccccc1.S4(=O)(=O)C6.N234.CC2.C35 |
29448 | NC(=O)NC(c1ccccc1)c1cccc(Cl)c1 | [N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15cccc(Cl)c1.c14ccccc1.NC2=O.C345.N23 |
29450 | NC(=O)NC(c1ccccc1)c1ccc(Cl)cc1 | [N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c14ccccc1.NC2=O.C345.N23 |
29451 | NC(=O)CCSc1nccn1Cc1ccccc1 | [N][C][=Branch1][C][=O][C][C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nccn13.c14ccccc1.NC(=O)CC2.S25.C34 |
29452 | CC(=O)c1cc(Br)c(O)c(Br)c1O | [C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][=Branch2][O] | c12cc(Br)c(O)c(Br)c1O.CC2=O |
29453 | CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccco2)NC(=O)N1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C5NC(=O)N1.c14ccc(C)cc1.c15ccco1.N34 |
29454 | CCc1sc(NC(=O)COc2ccccc2)c(C(N)=O)c1C | [C][C][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Ring1][C] | c18sc6c7c1C.c15ccccc1.C3(=O)C4.C7(N)=O.CC8.N36.O45 |
29455 | COc1ccc(C)cc1NCc1cc(OC)c2c(c1)OCO2 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1] | c17cc4c2c(c1)OCO2.c13ccc(C)cc16.CO3.N56.C57.O4C |
29456 | O=C(COC(=O)c1ccccc1O)c1ccccc1 | [O][=C][Branch1][S][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1O.c14ccccc1.O=C4C3.C25=O.O23 |
29458 | CCOc1ccc2nc(SCC(=O)OC)[nH]c2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][NH1][C][Ring1][O][=C][Ring1][#C] | c15ccc2nc7[nH]c2c1.C6C3=O.CC4.O45.S67.O3C |
29459 | CC(C(O)c1ccccc1)N(C)C(=O)c1ccccc1 | [C][C][Branch1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c14ccccc1.CC3C5O.N23C.C24=O |
29460 | Cc1cccc(C)c1NC(=O)CCc1ccccc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cccc(C)c13.c14ccccc1.C2(=O)CC4.N23 |
29461 | CNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][P][=O] | c15cc2c(n6c1=O)CC(C)(C)CC2=O.c16ccccc1.C45=O.CN4 |
29462 | COc1cccc(OC)c1C(=O)Nc1ccc(F)c(F)c1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c13cccc4c16.c15ccc(F)c(F)c1.C26=O.CO3.O4C.N25 |
29463 | COC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][#C] | c15ccc(S(=O)(=O)Nn2cnnc2)cc1.C34=O.CO3.N45 |
29464 | CCC(Oc1ccccc1)C(=O)Nc1nccs1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | CCC3C2=O.c14ccccc1.c15nccs1.O34.N25 |
29465 | Cc1ccc(C(N)=O)cc1S(=O)(=O)N1CCOCC1 | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1ccc3cc1S2(=O)=O.N12CCOCC1.C3(N)=O |
29467 | Cc1cccnc1NC(=O)COc1ccc(Cl)cc1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1cccnc15.c14ccc(Cl)cc1.C2(=O)C3.N25.O34 |
29468 | NC(=O)NC(c1ccccc1)c1ccccc1Cl | [N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c14ccccc1.NC2=O.C345.N23 |
29469 | CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][C][Branch1][C][N][=O] | c17c(C)sc4c16.c15ccc(Cl)cc1.C35=O.C6(N)=O.CC7.N34 |
29470 | O=C(NC(c1ccccc1)c1ccccc1)c1ccccn1 | [O][=C][Branch2][Ring1][Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccccc1.c16ccccc1.c14ccccn1.O=C24.C356.N23 |
29471 | CCOc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 | [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.C37=O.C8(N)=O.CC4.O45.N36 |
29472 | O=C(CC(c1ccccc1)c1ccccc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | O=C2CC34.c13ccccc1.c14ccccc1.N12CCOCC1 |
29473 | CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(N)=O)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2] | S4(=O)(=O)c1ccc(Cl)c5c1.N234.C5(N)=O.CC2.C3C |
29474 | CCOC(=O)c1conc1-c1ccc(Cl)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][O][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c14conc15.C24=O.CC3.O23 |
29475 | CC(C)=C(NC(=O)c1ccccc1)C(=O)N1CCCCC1 | [C][C][Branch1][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | C=5(N2)C3=O.c14ccccc1.N13CCCCC1.CC=5C.C24=O |
29476 | CCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c16ccc8cc1.C37=O.C8(C)=O.CC4.O45.N36 |
29477 | COc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1 | [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] | c13ccc(S(=O)(=O)n2nc(C)cc2C)cc1.CO3 |
29478 | CCOc1ccc(C(=O)Nc2ccccc2F)cc1 | [C][C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S] | c15ccc7cc1.c16ccccc1F.C37=O.CC4.O45.N36 |
29479 | Cc1cc(SCNC(=O)c2ccccc2)ncn1 | [C][C][=C][C][Branch1][S][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][P] | Cc1cc5ncn1.c14ccccc1.S5CN3.C34=O |
29482 | CCc1c(C)sc(NC(=O)COc2ccccc2)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C][Branch1][C][N][=O] | c18c(C)sc6c17.c15ccccc1.C3(=O)C4.C7(N)=O.CC8.N36.O45 |
29483 | CCc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Ring1][P] | c16ccc2c(c1)OCO2.c17nnc5s1.C46=O.CC7.N45 |
29484 | CCC(C)c1ccc(NC(=O)c2cnccn2)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc4cc1.c15cnccn1.CCC6C.C35=O.N34 |
29485 | CC(=O)c1cc(Br)c(C)c(Br)c1O | [C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][=Branch2][O] | c12cc(Br)c(C)c(Br)c1O.CC2=O |
29486 | CC(=O)c1cccc(NC(=O)Cc2cccs2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C] | c15cccc4c1.c16cccs1.C3(=O)C6.CC5=O.N34 |
29487 | CCC(Oc1ccccc1)C(=O)Nc1sc(C)c(C)c1C(N)=O | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O] | c15sc(C)c(C)c16.CCC3C2=O.c14ccccc1.C6(N)=O.O34.N25 |
29488 | CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc7cc1.c16cccc(F)c1.C37=O.CC4.O45.N36 |
29491 | COc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2] | c14ccccc17.c15cccc6c1.C27=O.C3(C)=O.CO4.N25.N36 |
29492 | COc1ccc(NC(=O)CCc2ccccc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c14ccc6c5c1.c17ccccc1.C3(=O)CC7.CO4.N36.O5C |
29493 | Cc1cc(NCc2ccccn2)ccc1Br | [C][C][=C][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][=C][Br] | Cc1cc4ccc1Br.c15ccccn1.N34.C35 |
29495 | CCOC(=O)C1CCN(C(=O)c2ccccc2F)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C] | C16CCN4CC1.c17ccccc1F.C36=O.C47=O.CC5.O35 |
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