ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
20417 | CS(=O)(=O)N(CC(=O)NC1CC1)c1ccccc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.CS4(=O)=O.C3C2=O.N345.C16CC1.N26 |
20418 | CS(=O)(=O)N(CC(=O)NC1CC1)c1ccccc1Br | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c15ccccc1Br.CS4(=O)=O.C3C2=O.N345.C16CC1.N26 |
20419 | O=S(=O)(Cc1ccccc1)NCc1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c14ccccc1.O=S3(=O)C4.N23.C25 |
20420 | Cc1ccc(OCC(=O)NCc2ccccn2)cc1C | [C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C] | Cc1ccc5cc1C.c17ccccn1.C4C3=O.O45.N36.C67 |
20422 | COc1cc2c(cc1OC)CN(C(=O)c1cccc(Cl)c1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1] | c14cc2c(cc15)CN3CC2.c16cccc(Cl)c1.C36=O.CO4.O5C |
20424 | Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1 | [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] | Cc1onc6c15.c16ccccc1.c14ccccc1.C35=O.N34 |
20425 | COC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][O][Ring2][Ring1][Ring1] | c16ccc2c(C)cc(=O)oc2c1.c17ccc8o1.C47=O.CO4.C58.O56 |
20426 | O=C(CSc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN5CC1.c15ccc(F)cc1.c16ccccc1.O=C3C4.S46 |
20427 | Cn1c(=O)c2c(nc(SCc3ccccc3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(nc6n2C)n(C)c1=O.c15ccccc1.S46.C45 |
20428 | COC(=O)C(CC(C)C)NC(=O)c1ccccc1Br | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | C2(=O)C4CC(C)C.c15ccccc1Br.C35=O.CO2.N34 |
20429 | O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1O | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c14ccc2c(c1)OCCO2.c15ccccc1O.O=C35.N34 |
20430 | Cc1nnc(NC(=O)Cc2ccc(F)cc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][S] | c15ccc(F)cc1.Cc1nnc4s1.C3(=O)C5.N34 |
20432 | COc1ccccc1NC(=O)Nc1cccc2cccnc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c17cccc2cccnc12.c15ccccc16.C34=O.CO5.N36.N47 |
20433 | CCOC(=O)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][P] | c18ccc(Cl)c(Cl)c1.N14CCN5CC1.C34=O.C56=O.CC7.O37.N68 |
20434 | COC(=O)C(CC(C)C)NC(=O)c1ccc(Br)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | C2(=O)C4CC(C)C.c15ccc(Br)cc1.C35=O.CO2.N34 |
20435 | Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][Ring2] | c15ccc7cc1.Cc1cc6no1.C3(=O)C4.C7(C)(C)C.N36.O45 |
20436 | Cc1cc(C)c(NC(=O)Cc2ccc(F)cc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1cc(C)c4c(C)c1.c15ccc(F)cc1.C3(=O)C5.N34 |
20438 | CC1CN(C2=NS(=O)(=O)c3ccccc32)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Ring2][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Branch1][C][C][O][Ring2][Ring1][C] | CC1CN(C2=NS(=O)(=O)c3ccccc32)CC(C)O1 |
20439 | O=C(Cc1cccs1)NCCc1ccc(F)cc1 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14cccs1.O=C2C4.C3C5.N23 |
20440 | CC1(C)C(=O)C2(CCCCC2)C(=O)OC1C(=O)c1ccccc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC1(C)C(=O)C2(CCCCC2)C(=O)OC13.c14ccccc1.C34=O |
20441 | COC(=O)CSc1nnc(-c2ccccc2C)o1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][N] | c16ccccc1C.c15nnc6o1.C3(=O)C4.CO3.S45 |
20443 | O=C(CSc1nc2ccccc2o1)N1CCc2ccccc2C1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c15nc2ccccc2o1.O=C3C4.S45 |
20445 | COc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccc2c(c1)OCCO2.c14ccc6cc1.CO4.N56 |
20447 | CC(=O)N1CCc2sccc2C1c1ccccc1C | [C][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | N13CCc2sccc2C1c1ccccc1C.CC3=O |
20449 | N#CCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 | [N][#C][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][=N] | c16ccc(F)cc1.c14ncc5s1.N#CCC3=O.N34.C56 |
20450 | CCn1nc(-c2ccc(Cl)cc2)c2c(=O)n(C)c(=O)[nH]c21 | [C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][NH1][C][=Ring1][=Branch2][Ring2][Ring1][Ring1] | n13nc4c2c(=O)n(C)c(=O)[nH]c21.c14ccc(Cl)cc1.CC3 |
20452 | NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1 | [N][C][=Branch1][C][=O][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][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccccc1.NC(=O)CC2.N234.C35 |
20453 | O=C(CCOc1ccccc1)NCC1COc2ccccc2O1 | [O][=C][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C17COc2ccccc2O1.c15ccccc1.O=C3CC4.O45.N36.C67 |
20454 | CC(=O)Nc1ccc(NC(=O)C2COc3ccccc3O2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | C18COc2ccccc2O1.c16ccc7cc1.CC4=O.C58=O.N46.N57 |
20455 | O=C(NCc1ccccc1)C1(c2ccccc2)CCOCC1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | C157CCOCC1.c16ccccc1.c17ccccc1.O=C35.N34.C46 |
20456 | O=C(Nc1ccccc1)C1(c2ccccc2)CCOCC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | C156CCOCC1.c14ccccc1.c16ccccc1.O=C35.N34 |
20457 | O=C(Cc1ccccc1)NCC1(c2ccccc2)CCOCC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | C157CCOCC1.c16ccccc1.c17ccccc1.O=C3C6.N34.C45 |
20459 | COc1cc2c(cc1OC)C(C)N(C(=O)c1ccccc1Cl)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring2][Ring1][Ring2] | c14cc2c(cc15)C(C)N3CC2.c16ccccc1Cl.C36=O.CO4.O5C |
20461 | COc1cc2nc(C)n(-c3ccc4c(c3)OCO4)c(=O)c2cc1OC | [C][O][C][=C][C][N][=C][Branch1][C][C][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C] | c15cc2nc(C)n7c(=O)c2cc16.c17ccc2c(c1)OCO2.CO5.O6C |
20462 | Cc1c(NC(=O)Cc2cccs2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C] | Cc1c4c(=O)n6n1C.c16ccccc1.c15cccs1.C3(=O)C5.N34 |
20463 | COc1cc(NC(C)=O)ccc1NC(=O)c1ccco1 | [C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c14cc5ccc16.c17ccco1.C2(C)=O.C37=O.CO4.N25.N36 |
20464 | COc1cccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring1][P] | c15c[nH]c(=O)[nH]c1=O.c14cccc6c1.C36=O.CO4.N35 |
20465 | CCOc1ccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c18nc2cc6c7cc2c(=O)o1.c15ccc8cc1.CC4.O45.O6C.O7C |
20468 | O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccco1 | [O][=C][Branch2][Ring1][N][N][C][=C][C][=C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | c15cccc8c1.c18nnc7o1.c17ccco1.c16ccco1.O=C46.N45 |
20472 | O=C(Nn1cnnc1)c1cc(Cl)cc(Cl)c1 | [O][=C][Branch1][=Branch2][N][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=C2Nn1cnnc1.c12cc(Cl)cc(Cl)c1 |
20474 | COc1cccc(OCC(=O)Nc2ccncc2)c1 | [C][O][C][=C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][P] | c15cccc6c1.c17ccncc1.C4C3=O.CO5.O46.N37 |
20475 | N#Cc1cc2c(nc1SCC(=O)N1CCCCC1)CCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][P] | N#Cc1cc2c(nc15)CCC2.N13CCCCC1.C4C3=O.S45 |
20476 | N#Cc1cc2c(nc1SCC(=O)N1CCOCC1)CCCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][C] | N#Cc1cc2c(nc15)CCCC2.N13CCOCC1.C4C3=O.S45 |
20477 | COC(=O)C1C(=O)N(C)C(c2ccccc2)C1C(=O)OC | [C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][=Branch1][C][=O][O][C] | C15C(=O)N(C)C7C16.c17ccccc1.C35=O.C46=O.CO3.O4C |
20479 | COc1ccccc1OCC(=O)N1CCOCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc15.N12CCOCC1.C3C2=O.CO4.O35 |
20480 | COc1ccc(OCC(=O)N2CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc6cc1.N13CCOCC1.C4C3=O.CO5.O46 |
20484 | CCCn1c(C)c(C(=O)OCC)c2cc(O)ccc21 | [C][C][C][N][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][S] | n16c(C)c5c2cc(O)ccc21.CCC6.C35=O.O34.C4C |
20485 | O=C1c2ccccc2C2=Nc3ccccc3SC12O | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][P][Ring1][#Branch2][O] | O=C1c2ccccc2C2=Nc3ccccc3SC12O |
20486 | O=C(NCc1ccco1)c1cccc(Br)c1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14cccc(Br)c1.c15ccco1.O=C24.N23.C35 |
20487 | NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | [N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c14cccc(Cl)c1.NC(=O)C2.N234 |
20488 | COC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccccc1C.C2(=O)C3.N345.CO2 |
20491 | CN(Cc1ccccc1)C(=O)COc1ccccc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.c14ccccc1.C2(=O)C3.CN25.C56.O34 |
20492 | CC(C)(C)S(=O)(=O)c1nc2ccccc2s1 | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | CC(C)(C)S(=O)(=O)c1nc2ccccc2s1 |
20493 | CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring1][#C] | c16nc2ccccc2[nH]1.c15cccc6c1.CC4=O.N45 |
20494 | CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][#C] | c16nc2ccccc2o1.c15cccc6c1.CC4=O.N45 |
20496 | O=C(NCC1CCCO1)c1ccc(C(=O)NCC2CCCO2)cc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C] | c17ccc8cc1.C19CCCO1.C1%10CCCO1.O=C37.C48=O.N35.C59.N46.C6%10 |
20497 | COc1ccc(S(=O)(=O)NCc2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P] | c13ccc(S5(=O)=O)cc1.c16cccnc1.CO3.N45.C46 |
20498 | COc1ccc(S(=O)(=O)Nc2ccncc2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][S][O][C] | c13ccc(S5(=O)=O)cc14.c16ccncc1.CO3.N56.O4C |
20500 | O=C(Nc1cccc(C(=O)N2CCOCC2)c1)NC1CCCCC1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C][N][C][C][C][C][C][C][Ring1][=Branch1] | c16cccc8c1.N15CCOCC1.C17CCCCC1.O=C34.C58=O.N36.N47 |
20501 | COc1ccc(CNS(=O)(=O)N(C)C)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][=C][O][C] | c12ccc5cc13.N4S(=O)(=O)N(C)C.CO2.C45.O3C |
20502 | COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc(S4(=O)=O)cc1.N14CCOCC1.C35=O.CO3 |
20503 | COc1ccccc1NC(=O)Nc1ccccc1C#N | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N] | c16ccccc1C#N.c14ccccc15.C23=O.CO4.N25.N36 |
20504 | O=C1CN2C(=Nc3ccc(Cl)cc3C2c2ccccc2)CN1 | [O][=C][C][N][C][=Branch2][Ring1][Branch2][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring2][Ring1][Branch1] | O=C1CN2C(=Nc3ccc(Cl)cc3C2c2ccccc2)CN1 |
20505 | Cn1cccc1CN(C(=O)c1ccccc1)C1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | Cn1cccc16.c15ccccc1.N234.C25=O.C14CC1.C36 |
20506 | Cn1cccc1CN(C(=O)c1ccc(F)cc1)C1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1] | c15ccc(F)cc1.Cn1cccc16.N234.C25=O.C14CC1.C36 |
20507 | COc1ccc(C(=O)N(Cc2cccn2C)C2CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.c18cccn1C.C37=O.N356.C16CC1.CO4.C58 |
20508 | Cn1cccc1CN(C(=O)c1ccccc1Cl)C1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][Ring1][Ring1] | c15ccccc1Cl.Cn1cccc16.N234.C25=O.C14CC1.C36 |
20509 | Cn1cccc1CN(C(=O)c1ccccc1F)C1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][Ring1][Ring1] | c15ccccc1F.Cn1cccc16.N234.C25=O.C14CC1.C36 |
20510 | COc1cc(OC)cc(C(=O)N(Cc2cccn2C)C2CC2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch1] | c14cc5cc8c1.c19cccn1C.C38=O.N367.C17CC1.CO4.O5C.C69 |
20512 | Cn1cccc1CN(C(=O)c1cccc(C(F)(F)F)c1)C1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][C][Ring1][Ring1] | c15cccc7c1.Cn1cccc16.C7(F)(F)F.N234.C25=O.C14CC1.C36 |
20513 | Cn1cccc1CN(C(=O)c1cccc(Br)c1)C1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1] | c15cccc(Br)c1.Cn1cccc16.N234.C25=O.C14CC1.C36 |
20514 | COc1ccc(C(=O)N(Cc2cccn2C)C2CC2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c14ccc8c5c1.c19cccn1C.C38=O.N367.C17CC1.CO4.C69.O5C |
20515 | CCc1ccc(C(=O)N(Cc2cccn2C)C2CC2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring1] | c18ccc6cc1.c17cccn1C.C36=O.N345.C15CC1.CC8.C47 |
20516 | Cn1cccc1CN(C(=O)c1cccc(Cl)c1)C1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1] | c15cccc(Cl)c1.Cn1cccc16.N234.C25=O.C14CC1.C36 |
20517 | Cn1cccc1CN(C(=O)Nc1ccc(Cl)cc1)C1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1] | c15ccc(Cl)cc1.Cn1cccc17.N246.C23=O.C16CC1.C47.N35 |
20518 | Cn1cccc1CN(C(=O)Nc1ccccc1)C1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | Cn1cccc17.c15ccccc1.N246.C23=O.C16CC1.C47.N35 |
20519 | Cn1cccc1CN(C(=O)Nc1cccc(Cl)c1)C1CC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1] | c15cccc(Cl)c1.Cn1cccc17.N246.C23=O.C16CC1.C47.N35 |
20520 | COc1ccc(NC(=O)N(Cc2cccn2C)C2CC2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c15ccc8c6c1.c1%10cccn1C.C34=O.N479.C19CC1.CO5.N38.C7%10.O6C |
20521 | Cc1ccccc1NC(=O)N(Cc1cccn1C)C1CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1] | Cc1ccccc15.c17cccn1C.C23=O.N346.C16CC1.N25.C47 |
20522 | CCOc1ccccc1NC(=O)N(Cc1cccn1C)C1CC1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1] | c15ccccc17.c19cccn1C.C23=O.N368.C18CC1.CC4.O45.N27.C69 |
20523 | O=C(NCc1ccco1)c1ccc(C(=O)NCc2ccco2)cc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C] | c17ccc8cc1.c19ccco1.c1%10ccco1.O=C37.C48=O.N35.C59.N46.C6%10 |
20524 | O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C][C][C][Ring1][=Branch1] | O=S2(=O)c1ccc(Cl)c(Cl)c1.N12CCCCC1 |
20525 | O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(-c2ccccc2)cc1 | [O][=C][Branch1][=C][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | c14c[nH]c(=O)[nH]c1=O.c15ccc6cc1.c16ccccc1.O=C35.N34 |
20526 | Cc1nc(NC(O)C(Cl)(Cl)Cl)sc1C | [C][C][N][=C][Branch1][=C][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][S][C][=Ring1][N][C] | Cc1nc3sc1C.C2(O)C(Cl)(Cl)Cl.N23 |
20527 | CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(O)cc2)NC(=O)N1 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C5NC(=O)N1.c14ccccc1C.c15ccc(O)cc1.N34 |
20528 | CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(O)cc2)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][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C5NC(=O)N1.c14ccc(C)cc1.c15ccc(O)cc1.N34 |
20529 | Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 | [N][C][=C][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][C] | Nc1ccc2nc5sc2c1.c16ccccc1.C46=O.N45 |
20531 | O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.c14ccn6n1.c16ccccc1.O=C35.N34 |
20532 | Cc1cc(C(F)(F)F)nn1CC(=O)NC(C)COc1ccccc1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc7nn16.c14ccccc1.C7(F)(F)F.C6C2=O.C5(C)C3.N25.O34 |
20533 | COc1cc2c(cc1OC)CC1(CCCCC1)N=C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][#C] | c13cc2c(cc14)CC1(CCCCC1)N=C2.CO3.O4C |
20534 | CC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c17nc(C)cc(C)n1.c16ccc5cc1.C3(=O)C4.CC6=O.N35.S47 |
20535 | CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C | [C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][Branch1][C][C][C] | c15nc2c(c(=O)[nH]c(=O)n2C)n14.C4(C)C.CC3.S35 |
20536 | CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C | [C][C][Branch1][C][C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][Branch1][C][C][C] | c15nc2c(c(=O)[nH]c(=O)n2C)n14.CC(C)C3.C4(C)C.S35 |
20537 | CC(C)n1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c3nc2c1c(=O)[nH]c(=O)n2C.CC4C.N3(C)C |
20539 | COc1ccc(CC(=O)NC(C)(C)C)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][O][C] | c13ccc6cc14.C6C2=O.C5(C)(C)C.CO3.N25.O4C |
20541 | O=c1cc(Nc2cccc(Br)c2)[nH]c(=O)[nH]1 | [O][=C][C][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][NH1][C][=Branch1][C][=O][NH1][Ring1][#C] | O=c1cc3[nH]c(=O)[nH]1.c14cccc(Br)c1.N34 |
20542 | O=c1cc(Nc2cccc3ccccc23)[nH]c(=O)[nH]1 | [O][=C][C][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][NH1][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] | c15cccc2ccccc12.O=c1cc4[nH]c(=O)[nH]1.N45 |
20543 | CCc1ccc(C(=O)N(Cc2nc(C(=O)OC)co2)C2CC2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][Branch1][P][C][C][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][O][Ring1][=Branch2][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch1] | c1%10ccc8cc1.c19nc7co1.C48=O.N456.C37=O.C16CC1.CC%10.C59.O3C |
20544 | O=C(Nc1ccc2ccccc2c1)C1CC(=O)N(c2ccccc2)C1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | c14ccc2ccccc2c1.C15CC(=O)N6C1.c16ccccc1.O=C35.N34 |
20545 | Cc1ccc(N2CC(C(=O)NC(C)C)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.N16CC5CC1=O.C35=O.C4(C)C.N34 |
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