ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
18460 | C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccnc2)c1 | [C][=C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | C=C(C)c1cccc7c1.c16cccnc1.C57(C)C.C34=O.N35.N46 |
18462 | O=C(Nc1nccs1)c1cccc(NC(=O)C2CCCCC2)c1 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C] | c18cccc6c1.C17CCCCC1.c15nccs1.O=C38.C47=O.N35.N46 |
18463 | CCC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][C][=C][Ring1][S] | c15ccc7cc1.c17nnc6o1.c16ccco1.CCC4=O.N45 |
18464 | COc1ccccc1CC(=O)Nc1c[nH]c(=O)[nH]c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | c14c[nH]c(=O)[nH]c1=O.c13ccccc15.C5C2=O.CO3.N24 |
18465 | O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccccn1 | [O][=C][Branch2][Ring1][Branch2][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | O=C3CC1(O)C(=O)Nc2ccc(Br)cc21.c13ccccn1 |
18466 | N#Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 | [N][#C][C][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | N#Cc1cn4c2ccccc12.N13CCOCC1.C4C3=O |
18467 | COc1ccc(-c2cc(C(F)(F)F)nc(SCC(N)=O)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c17cc5nc6n1.c13ccc7cc1.C5(F)(F)F.C4C(N)=O.CO3.S46 |
18468 | Cc1cc(C)n(C(=O)CNC(=O)C2COc3ccccc3O2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n(C(=O)C5)n1.C16COc2ccccc2O1.C46=O.N45 |
18470 | Cc1cc(C)n(C(=O)CNC(=O)Cc2ccccc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n(C(=O)C4)n1.c15ccccc1.C3(=O)C5.N34 |
18471 | Cc1cc(C)n(C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch2] | Cc1cc(C)n(C(=O)C4)n1.c15ccccc1.c16ccccc1.C3(=O)C56.N34 |
18472 | O=C(Nc1ccc(Br)cn1)c1ccc(F)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccc(Br)cn1.c14ccc(F)cc1.O=C24.N23 |
18473 | O=C(CCN1CCc2ccccc21)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][S][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.N13CCc2ccccc21.O=C4CC3 |
18474 | O=C(NC(c1ccccc1)c1ccccc1)C1COC2C=CC=CC2O1 | [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][O][C][C][=C][C][=C][C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COC2C=CC=CC2O1.c16ccccc1.c17ccccc1.O=C35.C467.N34 |
18475 | CCC(Sc1nccn1C)C(=O)Nc1nnc(C)s1 | [C][C][C][Branch1][#Branch2][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1] | CCC3C2=O.c15nccn1C.c14nnc(C)s1.S35.N24 |
18476 | CCC(Sc1nccn1C)C(=O)Nc1ccc(Cl)cn1 | [C][C][C][Branch1][#Branch2][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c14ccc(Cl)cn1.CCC3C2=O.c15nccn1C.S35.N24 |
18477 | O=C(CSc1nc2ccccc2o1)Nc1nncs1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1] | c16nc2ccccc2o1.c15nncs1.O=C3C4.S46.N35 |
18481 | Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | S3(=O)(=O)c1ccc(N)cc1.Cc1ccc4c(C)c1.N34 |
18482 | CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1ccc(N)cc1.c14ccc6cc1.CC3.O34.N56 |
18484 | COC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 | [C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1] | n14nc5c2c1CCCC2.C3(=O)C4.C5(F)(F)F.CO3 |
18485 | CC(C)OC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1] | n15nc6c2c1CCCC2.C3(=O)C5.C6(F)(F)F.CC4C.O34 |
18486 | CC(C)OC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1] | n15nc6c2c1CCC2.C3(=O)C5.C6(F)(F)F.CC4C.O34 |
18487 | NC(=O)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | [N][C][=Branch1][C][=O][C][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] | c15ccc(Cl)c(Cl)c1.C16CCN3CC1.NC6=O.C34=O.N45 |
18488 | O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1 |
18489 | C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C(N)=O)cc2)c1 | [C][=C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][=N][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] | C=C(C)c1cccc8c1.c16ccc7cc1.C58(C)C.C34=O.C7(N)=O.N35.N46 |
18491 | CCC(=O)Nc1ncc2c(n1)CC(c1ccc(C)cc1)CC2=O | [C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=O] | c14ncc2c(n1)CC5CC2=O.c15ccc(C)cc1.CCC3=O.N34 |
18492 | O=C(Nc1ncc2c(n1)CC(c1ccco1)CC2=O)c1ccccc1 | [O][=C][Branch2][Ring1][N][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ncc2c(n1)CC6CC2=O.c15ccccc1.c16ccco1.O=C35.N34 |
18495 | C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccccn2)c1 | [C][=C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | C=C(C)c1cccc8c1.c17ccccn1.C58(C)C.C34=O.N35.N46.C67 |
18497 | O=C(Nc1ccc(F)cc1F)N1CCc2ccccc2C1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N14CCc2ccccc2C1.c15ccc(F)cc1F.O=C34.N35 |
18498 | CCOC(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][S] | N14CCN5CC1.c18ccccc1Cl.C34=O.C56=O.CC7.O37.N68 |
18499 | COc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16ccc7cc1.N15CCN8CC1.c18ccc(F)cc1.C45=O.CO6.N47 |
18500 | O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | c16ccc(F)cc1.N14CCN5CC1.c17ccco1.O=C34.C57=O.N36 |
18501 | CCOC(=O)CCSc1nc(C)c2cc(OC)ccc2n1 | [C][C][O][C][=Branch1][C][=O][C][C][S][C][=N][C][Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=N][Ring1][=N] | c17nc(C)c2cc5ccc2n1.C3(=O)CC6.CC4.O34.S67.O5C |
18502 | COc1cc2nc(-c3cccc(C)c3)oc(=O)c2cc1OC | [C][O][C][=C][C][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=Ring1][=C][C][=C][Ring2][Ring1][C][O][C] | c14cc2nc6oc(=O)c2cc15.c16cccc(C)c1.CO4.O5C |
18503 | CCOC(=O)c1c(C2COc3ccccc3O2)csc1NC(C)=O | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][S][C][=Ring1][#C][N][C][Branch1][C][C][=O] | C19COc2ccccc2O1.c18c9csc17.C48=O.C5(C)=O.CC6.O46.N57 |
18504 | Cc1cc(C)n(-c2cc(O)c(-n3nc(C)cc3C)cc2O)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][O][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][=C][O][N][=Ring2][Ring1][Branch1] | c14cc(O)c5cc1O.Cc1cc(C)n4n1.n15nc(C)cc1C |
18505 | CCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc(S6(=O)=O)cc1.c17ccccc1.CC3.O34.N56.C57 |
18507 | C=CCn1c(SC)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n13c4nc2c1c(=O)n(C)c(=O)n2C.C=CC3.S4C |
18508 | C=CCn1c(SCC)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][Ring2][S][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c5nc2c1c(=O)n(C)c(=O)n2C.C=CC4.S35.C3C |
18509 | C=CCn1c(SC(C)C)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][#Branch1][S][C][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] | n14c5nc2c1c(=O)n(C)c(=O)n2C.C=CC4.C3(C)C.S35 |
18510 | C=CCn1c(SCC(C)C)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][Branch2][S][C][C][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] | n14c5nc2c1c(=O)n(C)c(=O)n2C.C3C(C)C.C=CC4.S35 |
18511 | C=CCn1c(SC(C)CC)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][Branch2][S][C][Branch1][C][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c5nc2c1c(=O)n(C)c(=O)n2C.C3(C)CC.C=CC4.S35 |
18512 | C=CCn1c(SCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c6nc2c1c(=O)n(C)c(=O)n2C.c15ccccc1.C=CC4.S36.C35 |
18513 | C=CCn1c(SCC(=C)C)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][Branch2][S][C][C][=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] | n14c5nc2c1c(=O)n(C)c(=O)n2C.C3C(=C)C.C=CC4.S35 |
18514 | C=CCn1c(SCC(O)CO)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][=Branch2][S][C][C][Branch1][C][O][C][O][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c5nc2c1c(=O)n(C)c(=O)n2C.C3C(O)CO.C=CC4.S35 |
18515 | C=CCn1c(SCC(=O)OCC)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][#Branch2][S][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n16c7nc2c1c(=O)n(C)c(=O)n2C.C5C3=O.C=CC6.S57.O34.C4C |
18516 | C=CCn1c(SCC(N)=O)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c5nc2c1c(=O)n(C)c(=O)n2C.C3C(N)=O.C=CC4.S35 |
18517 | C=CCn1c(SCC(=O)OC)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c6nc2c1c(=O)n(C)c(=O)n2C.C4C3=O.C=CC5.S46.O3C |
18518 | C=CCn1c(SC(C)C(C)=O)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][O][S][C][Branch1][C][C][C][Branch1][C][C][=O][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c5nc2c1c(=O)n(C)c(=O)n2C.C3(C)C(C)=O.C=CC4.S35 |
18519 | C=CCn1c(NCC)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][Ring2][N][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.C=CC5.N34.C3C |
18520 | C=CCn1c(N(C)C)nc2c1c(=O)n(C)c(=O)n2C | [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=CC4.N3(C)C |
18521 | C=CCn1c(N(CC)CC)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n16c5nc2c1c(=O)n(C)c(=O)n2C.C=CC6.N345.C3C.C4C |
18522 | C=C(C)Cn1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.N13CCOCC1.C=C(C)C4 |
18523 | C=C(C)Cn1c(NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.c16ccccc1.C=C(C)C5.N34.C36 |
18524 | C=CCn1c(N(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][=C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.c16ccccc1.C=CC5.N34C.C36 |
18525 | Cc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccccc1 | [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][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc7n16.c15ccccc1.c16ccccc1.C4C3=O.S47.N35 |
18526 | CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccncc1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=N][C][=C][Ring1][=Branch1] | n16c7nnc18.c15ccccc1.c18ccncc1.C4C3=O.CC6.S47.N35 |
18527 | CCn1c(SCc2ccccc2)nnc1-c1ccncc1 | [C][C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=N][C][=C][Ring1][=Branch1] | n14c6nnc17.c15ccccc1.c17ccncc1.CC4.S36.C35 |
18528 | Nc1cc(N)nc(SCC(=O)Nc2ccccc2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Nc1cc(N)nc6n1.c15ccccc1.C4C3=O.S46.N35 |
18529 | Nc1cc(N)nc(SCC(=O)Nc2cccc(Cl)c2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | Nc1cc(N)nc6n1.c15cccc(Cl)c1.C4C3=O.S46.N35 |
18531 | CC(Cc1c[nH]c2ccccc12)NC(=O)C1CCCNC1=O | [C][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][C][Ring1][=Branch1][=O] | c16c[nH]c2ccccc12.C15CCCNC1=O.CC4C6.C35=O.N34 |
18532 | COc1ccc(C(=O)NCCc2c[nH]c3ccc(OC)cc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] | c19c[nH]c2ccc6cc12.c15ccc8cc1.C48=O.C7C9.CO5.N47.O6C |
18533 | COC(=O)c1ccc(NCC(=O)c2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc5cc1.c17ccccc1.C4C7=O.C36=O.CO3.N45 |
18534 | Cc1cc(=O)oc2cc(OCC(=O)N(C)C)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=N] | Cc1cc(=O)oc2cc5ccc12.C4C3=O.N3(C)C.O45 |
18535 | CCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c13nc2ccccc2c(=O)n14.c14ccc(C)cc1.CC3 |
18539 | CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 | [C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | S5(=O)(=O)c1ccc6cc1.c17ccc(F)cc1.CC3=O.C47=O.N35.N46 |
18540 | CC(=O)NS(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1 | [C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | S6(=O)(=O)c1ccc7cc1.N15CCOCC1.CC3=O.C45=O.N36.N47 |
18541 | CC(C)CCNS(=O)(=O)c1ccc(Cl)cc1 | [C][C][Branch1][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.CC(C)CC2.N23 |
18542 | CC(C)CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15cnc2c1c(=O)n(C)c(=O)n2C.CC(C)CC4.C3(=O)C5.N34 |
18543 | Cc1cc(OCC(=O)N(C)C)c2c(-c3ccccc3)cc(=O)oc2c1 | [C][C][=C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][O][C][Ring1][=N][=C][Ring2][Ring1][Branch2] | Cc1cc6c2c7cc(=O)oc2c1.c17ccccc1.C5C4=O.N4(C)C.O56 |
18544 | CC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S3(=O)(=O)c1ccc(N)cc1.CC1CCN3CC1 |
18545 | O=C(CSc1ccccc1)Nc1ccc(F)cc1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.c15ccccc1.O=C2C3.S35.N24 |
18548 | CCOc1ccc(C(=O)NCc2ccncc2)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][S][O][C][C] | c16ccc9cc17.c1%10ccncc1.C39=O.CC4.O46.N38.C8%10.O57.C5C |
18549 | Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1cc(C)c(S3(=O)=O)c(C)c1.c14ccc5cc1.C5(N)=O.N34 |
18550 | NC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | [N][C][=Branch1][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][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc2c(c1)OCO2.c16ccc5cc1.NC6=O.C47=O.N45 |
18551 | COc1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | S6(=O)(=O)c1ccc(F)cc1.c13ccc7cc14.C7C5.CO3.N56.O4C |
18553 | O=C(NC1CCCCC1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.C14CCCCC1.O=C35.N34 |
18554 | O=C(Nc1ccncc1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14ccncc1.O=C35.N34 |
18555 | O=C(c1ccccc1F)N1CCC(c2ccccc2)C1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | c14ccccc1F.N13CCC5C1.c15ccccc1.O=C34 |
18556 | COc1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.N14CCC7C1.c17ccccc1.C46=O.CO5 |
18557 | COc1ccc(C(=O)NCC2CCCO2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P] | c14ccc7c5c1.C18CCCO1.C37=O.CO4.N36.C68.O5C |
18558 | COc1ccc(C(=O)N2CCc3ccccc3C2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | N14CCc2ccccc2C1.c15ccc7c6c1.C47=O.CO5.O6C |
18560 | COC(=O)CNC(=O)c1ccc(OC)cc1OC | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c17ccc4cc15.C2(=O)C6.C37=O.CO2.N36.O4C.O5C |
18561 | COc1ccc(C(=O)N2CCCCC2C)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][#C][O][C] | c14ccc6cc15.N13CCCCC1C.C36=O.CO4.O5C |
18562 | COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16ccc(F)c(Cl)c1.C37=O.CO4.N36.O5C |
18563 | COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16ccc(F)c(F)c1.C37=O.CO4.N36.O5C |
18564 | CCc1cccc(C)c1NC(=O)c1cc(OC)cc(OC)c1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17cccc(C)c15.c16cc3cc4c1.C26=O.CC7.N25.O3C.O4C |
18565 | C=CCN(CC=C)C(=O)c1cc(OC)cc(OC)c1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17cc3cc4c1.C=CC5.N256.C6C=C.C27=O.O3C.O4C |
18566 | COc1cc(OC)cc(C(=O)Nc2ccc(C(C)=O)cc2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][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][Ring2][Ring1][Ring2] | c14cc5cc7c1.c16ccc8cc1.C37=O.C8(C)=O.CO4.O5C.N36 |
18567 | COc1cc(OC)cc(C(=O)N2CCCCC2C)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | c14cc5cc6c1.N13CCCCC1C.C36=O.CO4.O5C |
18568 | COc1cc(OC)cc(C(=O)Nc2ccccn2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][P] | c14cc5cc7c1.c16ccccn1.C37=O.CO4.O5C.N36 |
18569 | COc1cc(OC)cc(C(=O)Nc2nc3ccccc3s2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c17nc2ccccc2s1.c15cc6cc8c1.C48=O.CO5.O6C.N47 |
18571 | CCN(Cc1ccccc1)C(=O)c1ccc(C)c(C)c1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2] | c15ccc(C)c(C)c1.c16ccccc1.N234.C25=O.CC3.C46 |
18575 | O=C(c1ccco1)N1CCC(Cc2ccccc2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | N13CCC5CC1.c16ccccc1.c14ccco1.O=C34.C56 |
18579 | CC(C)CNC(=O)c1cccc(Br)c1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14cccc(Br)c1.CC(C)C3.C24=O.N23 |
18580 | CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][Ring1][P] | c16c(C)oc2ccc5cc12.S4(=O)(=O)c1ccc(C)cc1.CC6=O.N45 |
18582 | O=S(=O)(Nc1ccccc1O)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S2(=O)c1ccc(Cl)cc1.c13ccccc1O.N23 |
18583 | CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][S] | c17ccc(Cl)c(Cl)c1.C16CCN4CC1.C36=O.C47=O.CC5.O35 |
18584 | CC(=O)Oc1ccccc1N(C(C)=O)S(=O)(=O)c1ccccc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1ccccc1.c14ccccc16.CC2=O.N356.C3(C)=O.O24 |
18585 | COc1ccc(C(=O)N2CC(C)CC(C)C2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc6c5c1.N13CC(C)CC(C)C1.C36=O.CO4.O5C |
18586 | O=C1CC(=O)c2ccc3c4c(ccc1c24)C(=O)CC3=O | [O][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][O][C][=C][C][Ring1][=N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][O][=O] | O=C1CC(=O)c2ccc3c4c(ccc1c24)C(=O)CC3=O |
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