ID large_stringlengths 7 13 | smiles stringlengths 1 288 | selfies stringlengths 3 1.14k | safe stringlengths 1 292 |
|---|---|---|---|
CHEMBL4943679 | O=S1(=O)[C@H](c2ccccc2)CCN1Cc1cc(F)ccc1OC(F)F | [O][=S][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][F] | O=S1(=O)C6CCN14.c15cc(F)ccc13.c16ccccc1.O3C(F)F.C45 |
CHEMBL4943680 | COCC(=O)N1CCN(C(=O)c2ccc(Cc3ccccc3)[nH]2)CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][N][C][C][Ring2][Ring1][Ring2] | N14CCN5CC1.c17ccc8[nH]1.c19ccccc1.C6C4=O.C57=O.CO6.C89 |
CHEMBL4943681 | C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(Cl)c1 | [C][C@@H1][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | S3(=O)(=O)c1cccc(Cl)c1.CC2CS(C)(=O)=O.N23 |
CHEMBL4943682 | O=C(Nc1ccc(F)cc1)c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][Branch1][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][N][=N][O][Ring1][P] | c15ccc(F)cc1.c17ccc(F)cc1.c16nc8no1.c18cn7nn1.O=C46.N45 |
CHEMBL4943683 | O=C1N(C/C=C/c2ccccc2)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12 | [O][=C][N][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Ring2][Ring1][C][Branch1][C][O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | O=C1N(CC=3)c2ccccc2C1(O)c1c[nH]c2ccccc12.C=3c1ccccc1 |
CHEMBL4943684 | Cc1oc(-c2ccccc2Cl)nc1CN1CCc2nnc(C(C)C)n2CC1 | [C][C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][=Ring1][N][C][N][C][C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][C][Ring1][=N] | N13CCc2nnc5n2CC1.Cc1oc6nc14.c16ccccc1Cl.C5(C)C.C34 |
CHEMBL1365420 | CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(Cl)cc1 | [C][C][O][P][=Branch1][C][=O][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O2P(=O)(c1ccc3cc1)C4O.c14ccc(Cl)cc1.N3(C)C.CC2 |
CHEMBL1365542 | O=C(NCc1nnc(SCC(=O)N2CCCCC2)o1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccc(F)cc1.c18nnc9o1.N14CCCCC1.C6C4=O.O=C37.N35.C58.S69 |
CHEMBL1365543 | COc1cc(/C=C/C(=O)O)ccc1OCc1cnc(Cl)s1 | [C][O][C][=C][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=C][C][=C][Ring1][O][O][C][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1] | c13cc(C=5)ccc14.c16cnc(Cl)s1.C=5C(=O)O.CO3.O24.C26 |
CHEMBL1367123 | Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c(Br)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][Branch1][C][Br][=C][Ring2][Ring1][=Branch2] | Cc1cc(C)c6c(Br)c1.c17ccc8cc1.N18CCOCC1.C5C4=O.O56.N47 |
CHEMBL1367245 | N#Cc1c(S)nc2c(c1-c1ccc(Cl)cc1)CCCC2 | [N][#C][C][=C][Branch1][C][S][N][=C][C][=Branch1][#C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][=C] | N#Cc1c(S)nc2c(c13)CCCC2.c13ccc(Cl)cc1 |
CHEMBL4943738 | CCC(=O)N[C@@H](C)C(=O)N1Cc2cnc(CC)nc2C1 | [C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][Ring1][C][C][N][=C][Ring1][Branch2][C][Ring1][O] | N14Cc2cnc6nc2C1.C5(C)C4=O.CCC3=O.N35.C6C |
CHEMBL1367246 | O=C(c1ccc(Br)o1)N1CCc2ccccc21 | [O][=C][Branch1][O][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.c14ccc(Br)o1.O=C34 |
CHEMBL1367247 | CCOCCCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc12 | [C][C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c17cc8nc2ccccc12.c19ccc(F)cc1.C5CC6.C37=O.CC4.O45.N36.S89 |
CHEMBL1367248 | Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3cccc(C(=O)O)c3)C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][/C][=Branch2][Ring1][O][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][Ring2][Ring1][Branch2][=O][C][=C][Ring2][Ring2][Ring1] | N1%10C(=O)NC=9C1=O.C=9c1ccccc16.Cc1ccc7cc1.c1%11cccc8c1.C4(=O)C%10.C8(=O)O.N47.O56.C5%11 |
CHEMBL1367249 | COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2cc(F)ccc2C)C(C)C)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch2] | c15cc6cc9c1.c18cc(F)ccc1C.C7(C4=O)C(C)C.C39=O.CO5.O6C.N37.N48 |
CHEMBL4943823 | NC(=O)C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][C][Ring1][P] | c16ccc2c(c1)CCC2.C15CCN4CC1.NC5=O.C46=O |
CHEMBL4943824 | Cc1csc(C(=O)N2C3CCC2CC(S(=O)(=O)c2ccccc2)C3)c1 | [C][C][=C][S][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=C][Ring2][Ring1][Branch2] | N14C2CCC1CC(S(=O)(=O)c1ccccc1)C2.Cc1csc5c1.C45=O |
CHEMBL4943825 | O=C(CNC(=O)COc1ccccc1)NCCc1c[nH]c2ccccc12 | [O][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c19c[nH]c2ccccc12.c16ccccc1.O=C3C7.C4(=O)C5.C8C9.N47.O56.N38 |
CHEMBL4943826 | O=C(Cn1nc(C2CC2)n(-c2ccccc2)c1=O)N1CCC(Cc2ccccc2)CC1 | [O][=C][Branch2][Ring1][O][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | n14nc8n7c1=O.N13CCC5CC1.c17ccccc1.c16ccccc1.O=C3C4.C18CC1.C56 |
CHEMBL4943827 | CCNc1cc(N2CCC(CCC(=O)NCc3cccc(OC)c3)CC2)ncn1 | [C][C][N][C][=C][C][Branch2][Ring1][P][N][C][C][C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][Ring2][=N][C][=N][Ring2][Ring1][#Branch2] | c18cc9ncn1.N19CCC%10CC1.c1%11cccc5c1.C%10CC4=O.CC6.N68.N47.C7%11.O5C |
CHEMBL4943828 | CCc1ccc(OCCN(C)C(=O)CC2=CCNCC2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][N][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | C3(=O)CC1=CCNCC1.c17ccc5cc1.C4C6.N36C.CC7.O45 |
CHEMBL4943829 | COCCN(Cc1csc(COc2ccccc2C(C)C)n1)S(=O)(=O)c1ccc(C)cc1 | [C][O][C][C][N][Branch2][Ring1][#Branch2][C][C][=C][S][C][Branch1][S][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=N][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S8(=O)(=O)c1ccc(C)cc1.c15ccccc1%11.c19csc%10n1.C3C6.N678.C%11(C)C.CO3.C79.C4%10.O45 |
CHEMBL4943830 | COCc1nocc1C(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 | [C][O][C][C][=N][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C@H1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c15ccnn1C1CCCc2ccccc21.c17nocc16.C36=O.CO4.C47.N35 |
CHEMBL1367251 | CC1(C)CC(=O)c2cnc(NC(=O)Cc3ccc(Cl)cc3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][P][C][Ring2][Ring1][#Branch1] | CC1(C)CC(=O)c2cnc5nc2C1.c16ccc(Cl)cc1.C4(=O)C6.N45 |
CHEMBL1369267 | CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(F)cc1 | [C][C][Branch1][C][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | CC(C)C6C2=O.c17ccc(F)cc1.c18ccco1.C5C4=O.C38=O.N36.O25.N47 |
CHEMBL1369269 | CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccn2)CC1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Ring1][O][C][=C][C][=C][C][Ring1][Branch2][=C][Ring1][N][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c18cnc2c5cccc2c17.N17CCN6CC1.c16ccccn1.C38=O.CC4.O34.O5C |
CHEMBL4943898 | CN(CC(N)=O)c1ccnc(Cc2ccccc2)n1 | [C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N] | c14ccnc5n1.c16ccccc1.C3C(N)=O.CN34.C56 |
CHEMBL4943899 | C[C@H](OC1CCCCCC1)C(=O)Nc1nc(-c2cnn(C)c2)cs1 | [C][C@H1][Branch1][O][O][C][C][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][S][Ring1][O] | C15CCCCCC1.c16nc7cs1.c17cnn(C)c1.CC4C3=O.O45.N36 |
CHEMBL4943900 | Cc1nccc(C(=O)Nc2ccc(CCN3CCC(O)CC3)cc2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][#C][=N][Ring2][Ring1][Branch2] | Cc1nccc7n1.c16ccc8cc1.N15CCC(O)CC1.C47=O.C8C5.N46 |
CHEMBL4943901 | O=C(N[C@H]1CCOC1)c1cn(CC2CCCCC2)nn1 | [O][=C][Branch1][=Branch2][N][C@H1][C][C][O][C][Ring1][Branch1][C][=C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][N] | c15cn6nn1.C17CCCCC1.C14CCOC1.O=C35.N34.C67 |
CHEMBL4943903 | COc1cccc(CC(=O)N2CCCC[C@H](Nc3ncccc3C(N)=O)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][#C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][Ring1][P][=C][Ring2][Ring1][#Branch2] | N14CCCCC7C1.c15cccc9c1.c16ncccc18.C9C4=O.C8(N)=O.CO5.N67 |
CHEMBL4943904 | COc1cc(C(=O)NCCCN2CCCC2=O)on1 | [C][O][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][O][N][=Ring1][P] | c14cc6on1.N17CCCC1=O.C5CC7.C36=O.CO4.N35 |
CHEMBL4943905 | CCN(CC)c1nc(N)cc(-c2cccc(C(=O)N3CC(O)C3)c2)n1 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][N][=C][C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][Ring1][Branch1][=C][Ring1][=N][=N][Ring2][Ring1][Ring2] | c17nc9cc(N)n1.c19cccc8c1.N14CC(O)C1.N567.C48=O.CC5.C6C |
CHEMBL4943906 | COCCC1(c2nc(-c3ccc(C(N)=O)cc3)no2)CCCC1 | [C][O][C][C][C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=N][O][Ring1][=C][C][C][C][C][Ring2][Ring1][Ring1] | c18ccc5cc1.C167CCCC1.c17nc8no1.C4C6.C5(N)=O.CO4 |
CHEMBL4943907 | CC1CN(C(=O)COc2ccc3oc4ccccc4c3c2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][=N][C][C][Branch1][C][C][O][Ring2][Ring1][Branch2] | c17ccc2oc3ccccc3c2c1.CC1CN5CC(C)O1.C5(=O)C6.O67 |
CHEMBL4943908 | Cc1cc(C)cc(Nc2cc(C(=O)Nc3ccccc3)ccn2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][Ring1][#C][=C][Ring2][Ring1][#Branch1] | Cc1cc6cc(C)c1.c15cc8ccn1.c17ccccc1.C48=O.N56.N47 |
CHEMBL4943909 | Cc1cccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC2CC2)C(=O)Cc2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][=C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][C][=Branch1][C][=O][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][Ring1] | Cc1cccc%11c1.n1%11cc%12nc18.c1%12ccccc1.c1%10ccccc1.C4(=O)C6.C5(=O)C%10.N567.C19CC1.N48.C79 |
CHEMBL1369271 | CCc1ccc(OC(C)c2nnc(SCC(=O)Nc3ncccc3C)n2C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][S][O][C][Branch1][C][C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][P][C][C][=C][Ring2][Ring1][O] | c1%10ccc6cc1.c19nnc%11n1C.c18ncccc1C.C7C4=O.C59C.CC%10.O56.S7%11.N48 |
CHEMBL1369396 | COc1ccc(C2NC(=O)NC(C)=C2C(C)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][C][=O][C][=C][Ring1][P] | C14NC(=O)NC(C)=C1C(C)=O.c13ccc4cc1.CO3 |
CHEMBL1369398 | Cc1ccc(P(=O)(CC(=O)O)c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][P][=Branch1][C][=O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(P(=O)(CC(=O)O)c2ccc(C)cc2)cc1 |
CHEMBL1369399 | COc1cc(C2CC(=O)c3cnc(NC(C)=O)nc3C2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][N][=C][Ring1][#Branch2][C][Ring1][#C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] | C19CC(=O)c2cnc8nc2C1.c15cc9cc6c17.C4(C)=O.CO5.N48.O6C.O7C |
CHEMBL3353736 | CCOc1cc(CC(=O)OC(C)C)cc(F)c1OCC(=O)N(CC)CC | [C][C][O][C][=C][C][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][Ring1][=C][O][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C] | c18cc3cc(F)c19.C3C2=O.C7C4=O.C6(C)C.N4%10%11.CC5.O58.O26.O79.C%10C.C%11C |
CHEMBL1370579 | COc1cc(CNc2ccc3[nH]c(O)nc3c2)ccc1OCc1ccc(F)cc1Cl | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][NH1][C][Branch1][C][O][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl] | c18ccc2[nH]c(O)nc2c1.c15cc9ccc16.c1%10ccc(F)cc1Cl.CO5.C79.N78.O46.C4%10 |
CHEMBL1370580 | COc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccco2)cc1COc1ccc(NC(C)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1][C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c1%12nc2ccccc2c(=O)n19.c16ccc%12cc1%11.c17ccc8cc1.c1%10ccco1.C4(C)=O.CO6.C9%10.C5%11.O57.N48 |
CHEMBL1370581 | COc1ccc(C)cc1NC(=O)C1COc2ccccc2O1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C16COc2ccccc2O1.c14ccc(C)cc15.C36=O.CO4.N35 |
CHEMBL4943913 | Cc1cccc(OC2CCCCC2NC(=O)c2c[nH]nn2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][NH1][N][=N][Ring1][Branch1][=C][Ring2][Ring1][Branch1] | Cc1cccc5c1.C14CCCCC16.c17c[nH]nn1.C37=O.O45.N36 |
CHEMBL4943914 | COc1ccc(CCNC(=O)C(=O)NCC(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C] | c14ccc7cc1.C2(=O)C3=O.C6C(C)C.C7C5.CO4.N25.N36 |
CHEMBL4943915 | COCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)N1CCN(c2cccc(C)c2)CC1 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N16C(=O)Cc2ccccc2C1C3=O.N13CCN5CC1.c15cccc(C)c1.C4C6.CO4 |
CHEMBL1370582 | COc1ccc(-c2cn3cc(Cl)ccc3n2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=C][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S][O][C] | c16cn2cc(Cl)ccc2n1.c14ccc6cc15.CO4.O5C |
CHEMBL1370583 | CCOC(=O)CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1 | [C][C][O][C][=Branch1][C][=O][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S6(=O)(=O)c1ccc(Cl)cc1.C2(=O)CC4.c17cccs1.N456.CC3.O23.C57 |
CHEMBL1370584 | CCN(CC)C(=O)C1=C(C)N=C(S)NC1c1cccs1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][S][N][C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] | C2(=O)C1=C(C)N=C(S)NC15.c15cccs1.N234.CC3.C4C |
CHEMBL1365290 | Cc1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][/C][=Branch1][O][=C][\C][=C][\C][=C][C][=C][O][Ring1][Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1][C] | N16C(=O)NC(=O)C=4C1=O.Cc1ccc6cc1C.C=5c1ccco1.C=4C=5 |
CHEMBL1365292 | CN(C)c1ccc(/C=C2/SC(=O)N(CCNC3=NS(=O)(=O)c4ccccc43)C2=O)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][/C][=C][/S][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][N] | N5C1=NS(=O)(=O)c2ccccc21.c16ccc(C=7)cc1.C1=7SC(=O)N8C1=O.CN6C.C8C5 |
CHEMBL1365293 | CCCOc1ccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)cc1 | [C][C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.C17CCS(=O)(=O)C1.c19cccs1.CCC4.C38=O.N367.O45.C69 |
CHEMBL1365294 | O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(CCO)CC1 | [O][=C][Branch2][Ring1][Branch2][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2] | c15cc6nc2ccccc12.N13CCN4CC1.c16cccs1.O=C35.C4CO |
CHEMBL4943937 | COCCc1noc(CCc2scnc2C)n1 | [C][O][C][C][C][=N][O][C][Branch1][O][C][C][C][S][C][=N][C][=Ring1][Branch1][C][=N][Ring1][=N] | c14noc5n1.c16scnc1C.C3C4.C5C6.CO3 |
CHEMBL4943939 | Cc1nc(NC(=O)c2ccccc2NC(=O)c2ccco2)sc1C | [C][C][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][=Ring2][Ring1][=Branch1][C] | Cc1nc5sc1C.c18ccccc16.c17ccco1.C38=O.C47=O.N35.N46 |
CHEMBL4943940 | CCc1cnc(CNC(=O)Nc2cccc3oc(C)nc23)o1 | [C][C][C][=C][N][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][O][C][Branch1][C][C][=N][C][Ring1][#Branch2][=Ring1][=Branch1][O][Ring2][Ring1][Ring2] | c17cccc2oc(C)nc12.c18cnc9o1.C45=O.CC8.C69.N46.N57 |
CHEMBL1365295 | COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccccc2SC)c1OC | [C][O][C][=C][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Ring2][Ring1][#Branch1][O][C] | c13cc(C=7)cc(S5(=O)=O)c14.c16ccccc18.C=7C(=O)O.CO3.N56.S8C.O4C |
CHEMBL1365297 | CC(=O)Nc1ccc(Nc2nc3ccc(C)cc3n3nnnc23)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][N][=N][N][=C][Ring1][=C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c15nc2ccc(C)cc2n2nnnc12.c16ccc7cc1.CC4=O.N46.N57 |
CHEMBL4943960 | COc1ccc(S(=O)(=O)N(C)Cc2c(C)noc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1] | c13ccc(S5(=O)=O)cc1.c16c(C)noc1C.N45C.CO3.C46 |
CHEMBL4943961 | COc1ccc(CN2C(=O)O[C@H]3CN(c4nc(C)cc(C)n4)C[C@H]32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][O][C@H1][C][N][Branch1][#C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][C@H1][Ring1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2][O][C] | N18C(=O)OC2CN7CC21.c15ccc9cc16.c17nc(C)cc(C)n1.CO5.C89.O6C |
CHEMBL4943962 | CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(C(=O)CCc1scnc1C)CC2 | [C][O][C@H1][C@H1][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][S] | C15C(N3)c2ccccc2C12CCN4CC2.c16scnc1C.C3(=O)C(C)C.C4(=O)CC6.CO5 |
CHEMBL4943963 | c1cc2c(cc1-c1csc(N3CCCC3)n1)OCO2 | [C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][C][=C][S][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2][O][C][O][Ring1][P] | c1cc2c(cc15)OCO2.c15csc4n1.N14CCCC1 |
CHEMBL1367125 | CN(Cc1cnccn1)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn12 | [C][N][Branch1][#Branch2][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][=C][C][=C][C][Branch1][C][Cl][=C][N][Ring2][Ring1][=Branch1][Ring1][#Branch1] | c19c7nc2ccc(Cl)cn12.N14CCc2ccccc2C1.c18cnccn1.CN56.C47=O.C58.C69 |
CHEMBL1367126 | COc1ccc(N=C(S)NCc2cccnc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][S][N][=C][Branch1][C][S][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c13ccc(N=C(S)N5)c4c1.c16cccnc1.CO3.C56.O4C |
CHEMBL1367128 | COCc1c(C(=O)OC)nnn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] | [C][O][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][=N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1] | c17ccc6cc1[N+](=O)[O-].c15c4nnn17.C6(F)(F)F.C24=O.CO3.C35.O2C |
CHEMBL4943985 | COc1ccc(N[C@@H](C)C(=O)Nc2nc(C)cs2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14ccc8c5c1.c17nc(C)cs1.C6(C)C3=O.CO4.N68.N37.O5C |
CHEMBL1367129 | CCC(CC)c1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1 | [C][C][C][Branch1][Ring1][C][C][C][=N][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][S][Ring2][Ring1][Ring2] | c16c8noc1C.c17nnc5s1.c18ccccc1.CCC7CC.C46=O.N45 |
CHEMBL1367130 | COc1ccc(CN2CC(C(=O)NCCCN3CCCCC3)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][P][=O][C][=C][Ring2][Ring1][=Branch2] | c15ccc%10cc1.N19CC8CC1=O.N17CCCCC1.C6CC7.C48=O.CO5.C9%10.N46 |
CHEMBL1367131 | CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)NCCCCCNC(=O)OC(C)(C)C | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | c14ccccc1.c1%12[nH]cnc13.C%10CCCC%11.C8(C)(C)C.CN59.C5%12=O.C63=O.C27=O.C94.N6%10.N7%11.O28 |
CHEMBL1369142 | C=CCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 | [C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C] | c18ccc7cc1.c19ccccc1.S6(C)(=O)=O.C=CC4.C38=O.N567.N34.C59 |
CHEMBL4943998 | Cn1nccc1-c1cncc(CNC(=O)Cn2nnc3ccccc32)c1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=C][N][=C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | n16nnc2ccccc21.c18cncc7c1.Cn1nccc18.C4(=O)C6.C57.N45 |
CHEMBL4944000 | Cc1cccc(CC(=O)N2CC(N3C(=O)COC3=O)C2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][Branch1][N][N][C][=Branch1][C][=O][C][O][C][Ring1][=Branch1][=O][C][Ring1][O][=C][Ring2][Ring1][Ring2] | Cc1cccc5c1.N16C(=O)COC1=O.N14CC6C1.C5C4=O |
CHEMBL4944002 | CN(Cc1nccs1)C(=O)c1cn2c(n1)CCC2 | [C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1] | c15cn2c(n1)CCC2.c16nccs1.CN34.C35=O.C46 |
CHEMBL4944003 | Cc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCCC4)nc3c2=O)cc1Cl | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][S][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][=Ring1][O][C][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][#C][Cl] | n18nc9c2sc6nc2c1=O.Cc1ccc7cc1Cl.N16CCCCC1.c19ccco1.C5(=O)C8.N57 |
CHEMBL4944004 | COCCc1ncc(-c2c(-c3ccccc3)ncn2CC2=CCCCC2)cn1 | [C][O][C][C][C][=N][C][=C][Branch2][Ring1][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][O][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch2] | c16ncc7cn1.c17c8ncn15.C5C1=CCCCC1.c18ccccc1.C4C6.CO4 |
CHEMBL4944005 | c1cc(-c2cc3c(N4CCNCC4)cccc3s2)c2ccsc2c1 | [C][=C][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][N][S][Ring1][#C][=C][C][=C][S][C][Ring1][Branch1][=C][Ring2][Ring1][Branch2] | c16cc2c5cccc2s1.c1cc6c2ccsc2c1.N15CCNCC1 |
CHEMBL4944006 | CCn1cc(C(=O)NCc2ccccc2CN(C)C(=O)OC(C)(C)C)c(C2CC2)n1 | [C][C][N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][N] | n1%12cc%11c5n1.c1%13ccccc14.C8(C)(C)C.C6%11=O.N7%10C.C37=O.C15CC1.CC%12.N69.C9%13.C%104.O38 |
CHEMBL4944007 | O=C(c1ccc(F)cc1)N1CCN(Cc2csc(C3CCCCC3)n2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O][C][C][Ring2][Ring1][C] | c16ccc(F)cc1.N14CCN5CC1.c17csc8n1.C18CCCCC1.O=C46.C57 |
CHEMBL4944008 | CCc1cc(-c2nccn2-c2cccc(-c3nc(CC)no3)c2)on1 | [C][C][C][C][=C][Branch2][Ring1][=N][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][N][C][=N][C][Branch1][Ring1][C][C][=N][O][Ring1][#Branch1][=C][Ring1][=N][O][N][=Ring2][Ring1][#Branch1] | c16cccc8c1.c14cc7on1.c17nccn16.c18nc5no1.CC4.C5C |
CHEMBL1369144 | CC(=O)N(c1ccc(Cl)cc1)c1c[nH]c2ccccc12 | [C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15c[nH]c2ccccc12.c14ccc(Cl)cc1.CC3=O.N345 |
CHEMBL1369273 | CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccc(Cl)cc3)n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch2] | c17ccc(S5(=O)=O)cc1.c16nccc(C=8)n1.C=8c1ccc(Cl)cc1.CC4=O.N47.N56 |
CHEMBL4944039 | C[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccncc1 | [C][C@H1][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13ccc5cn1.c14ccncc1.C5(F)(F)F.CC24.N23 |
CHEMBL4944041 | O=C1[C@@H]2CC[C@@H](C2)N1CCS(=O)(=O)c1ccccc1 | [O][=C][C@@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][N][Ring1][#Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3CS(=O)(=O)c1ccccc1.O=C1C2CCC(C2)N13 |
CHEMBL1369274 | CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 | [C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c16ccc(S4(=O)=O)cc1.c15nccc(C)n1.CCCCC3=O.N36.N45 |
CHEMBL1369275 | CN(c1ccccc1C(=O)NCc1ccccn1)S(C)(=O)=O | [C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc16.c17ccccn1.S4(C)(=O)=O.CN45.C26=O.N23.C37 |
CHEMBL1369276 | CCC(=O)c1ccc(OC(=O)c2cnccn2)cc1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc4cc1.c15cnccn1.CCC6=O.C35=O.O34 |
CHEMBL1369277 | CCCCCCc1cc2cc(C(N)=O)c(=N)oc2cc1O | [C][C][C][C][C][C][C][=C][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=N][O][C][=Ring1][#Branch2][C][=C][Ring1][=C][O] | c14cc2cc3c(=N)oc2cc1O.CCCCCC4.C3(N)=O |
CHEMBL1370592 | COc1ccc(OCCN=C(S)Nc2cccc3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][N][=C][Branch1][C][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | c17cccc2ccccc12.c15ccc6cc1.C4CN=C(S)N7.CO5.O46 |
CHEMBL1370593 | Cc1ccc(Nc2c(-c3ccc(C)s3)nc3ccccn23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=C][Branch1][O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][N][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c14c6nc2ccccn12.Cc1ccc5cc1.c16ccc(C)s1.N45 |
CHEMBL1370594 | FC(F)(F)c1ccc(C2[C@H]3CN(CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring2][P][C][C@H1][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch1][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1]... | C19C2CN5C8C23CC1%10C3.c17ccc9cc1.C16CCCCC1.c18ccccc1.c1%10cccnc1.FC7(F)F.C56 |
CHEMBL1370713 | CCCNC(=O)NC(=O)COC(=O)CC(NC(N)=O)c1ccc(Cl)cc1 | [C][C][C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c1%10ccc(Cl)cc1.C2(=O)CC9%10.C5(=O)C7.CCC8.C34=O.C6(N)=O.N38.N45.O27.N69 |
CHEMBL1370714 | Cc1ccc(C2CC(C(F)(F)F)n3ncc(C(N)=O)c3N2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][N][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][Branch2][N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | C15CC(C(F)(F)F)n2ncc4c2N1.Cc1ccc5cc1.C4(N)=O |
CHEMBL4944122 | CCn1nc(C)c(CNc2cncc(-c3cccs3)n2)n1 | [C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][C][N][C][=C][N][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][O][=N][Ring2][Ring1][Ring1] | n16nc7c(C)n1.c15cncc8n1.c18cccs1.CC6.C47.N45 |
CHEMBL4944123 | CN(C)C[C@H]1CN(Cc2nc3ccccc3o2)CCO1 | [C][N][Branch1][C][C][C][C@H1][C][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][O][Ring1][S] | c17nc2ccccc2o1.C16CN5CCO1.CN4C.C46.C57 |
CHEMBL1370715 | CCOC(=O)c1noc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c12 | [C][C][O][C][=Branch1][C][=O][C][=N][O][C][=N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1] | c19noc2ncnc7c12.N17CCN8CC1.c18cccc(Cl)c1.C59=O.CC6.O56 |
CHEMBL1370716 | O=C(NCCCNC(=O)c1ccc(Cl)cc1Cl)c1cnccn1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][N][=C][C][=N][Ring1][=Branch1] | c17ccc(Cl)cc1Cl.c16cnccn1.C4CC5.O=C26.C37=O.N24.N35 |
CHEMBL1365165 | Cc1cc(N2CCN(c3ccccc3)CC2)nc(N2CCOCC2)n1 | [C][C][=C][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] | Cc1cc4nc5n1.N14CCN6CC1.c16ccccc1.N15CCOCC1 |
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