ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
16983 | O=S(=O)(CCc1nc2ccccc2o1)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][S][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S(=O)(CC3)c1ccc(Cl)cc1.c13nc2ccccc2o1 |
16984 | Cc1ccc(S(=O)(=O)CCc2nc3ccccc3o2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc(S(=O)(=O)CC4)cc1C.c14nc2ccccc2o1 |
16988 | CCC(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | c15ccc2c(c1)N4c1ccccc1CC2.CCC3=O.C4(C)=O.N35 |
16989 | Cc1nc2c(=O)oc3ccccc3c2n1-c1ccccc1 | [C][C][=N][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2c(=O)oc3ccccc3c2n14.c14ccccc1 |
16990 | O=C(c1ccccc1Br)N1CCCCCC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][C][C][C][C][Ring1][#Branch1] | c13ccccc1Br.N12CCCCCC1.O=C23 |
16993 | Nn1c(Cc2ccccc2)nc2sc3c(c2c1=O)CCCC3 | [N][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][S][=O][C][C][C][C][Ring1][=Branch2] | Nn1c4nc2sc3c(c2c1=O)CCCC3.c15ccccc1.C45 |
16996 | COc1ccccc1C(=O)Nc1cccc(C(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][C][Branch1][C][C][=O][=C][Ring1][=Branch2] | c13ccccc15.c14cccc6c1.C25=O.C6(C)=O.CO3.N24 |
16997 | CCOc1ccccc1C(=O)Nc1ccc(C)cn1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1] | c14ccccc16.c15ccc(C)cn1.C26=O.CC3.O34.N25 |
16998 | CCOc1ccccc1C(=O)Nc1cc(C)ccn1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1] | c14ccccc16.c15cc(C)ccn1.C26=O.CC3.O34.N25 |
16999 | O=C(COc1ccc(Br)cc1)N(CCO)CCO | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Branch1][Ring2][C][C][O][C][C][O] | c14ccc(Br)cc1.O=C2C3.N256.C5CO.C6CO.O34 |
17000 | CC1CCN(S(=O)(=O)c2ccc(F)c(C(N)=O)c2)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1] | S3(=O)(=O)c1ccc(F)c4c1.CC1CCN3CC1.C4(N)=O |
17001 | COC(=O)c1cnn2c(C)c(Cc3cccc(C)c3)c(C)nc12 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][C][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][C][=Ring2][Ring1][Ring1][Ring1][S] | c15cnn2c(C)c6c(C)nc12.c17cccc(C)c1.C45=O.CO4.C67 |
17002 | CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccc(F)cc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.N13CCCC17.CC5(C)C.C23=O.C47=O.O25.N46 |
17003 | O=C(Nc1ccc(Cl)cc1)C1CCCN1C(=O)Oc1ccccc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc(Cl)cc1.C17CCCN14.c15ccccc1.O=C37.C24=O.N36.O25 |
17004 | COc1ccc(C2OCC(CO)(CO)CO2)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][O][C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O][Ring1][#Branch2][C][=C][Ring1][S] | C16OCC45CO1.c13ccc6cc1.CO3.C4O.C5O |
17005 | NC(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | C14CCN3CC1.c15ccc(Cl)cc1.C3(=O)C5.NC4=O |
17007 | NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F | [N][C][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][F] | c14cc(S3(=O)=O)ccc1F.N13CCCCC1.NC4=O |
17008 | COc1ccccc1OCC(=O)Nc1cccnc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc15.c16cccnc1.C3C2=O.CO4.O35.N26 |
17009 | CCOC(=O)C1CCN(c2nc3ccccc3o2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] | c16nc2ccccc2o1.C17CCN6CC1.C47=O.CC5.O45 |
17010 | CCOC(=O)N1CCN(C(=O)COc2ccccc2OC)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring2][Ring1][C] | N14CCN5CC1.c18ccccc19.C5(=O)C7.C34=O.CC6.O36.O78.O9C |
17011 | CC1CC(C)CN(S(=O)(=O)c2ccc(F)c(C(N)=O)c2)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring2] | S3(=O)(=O)c1ccc(F)c4c1.CC1CC(C)CN3C1.C4(N)=O |
17012 | Cc1cc(Br)ccc1OCC(=O)N1CCOCC1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1cc(Br)ccc14.N12CCOCC1.C3C2=O.O34 |
17013 | O=C(COc1cccc2ccccc12)Nc1ccncc1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15cccc2ccccc12.c16ccncc1.O=C3C4.O45.N36 |
17014 | O=C(COc1cccc2ccccc12)Nn1cnnc1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][N][C][=N][N][=C][Ring1][Branch1] | c14cccc2ccccc12.O=C(C3)Nn1cnnc1.O34 |
17016 | NC(=O)C1CCN(C(=O)COc2cccc3ccccc23)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | c16cccc2ccccc12.C17CCN4CC1.C4(=O)C5.NC7=O.O56 |
17017 | O=C(COc1cccc2ccccc12)NCc1ccncc1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15cccc2ccccc12.c17ccncc1.O=C3C4.O45.N36.C67 |
17018 | CCOC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch2] | c16ccc2c(c1)C(=O)CC(C)(C)O2.C3(=O)C5.CC4.O34.O56 |
17019 | CC(C)(C)c1ccc(OCC(=O)NCc2ccccn2)cc1 | [C][C][Branch1][C][C][Branch1][C][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] | c18ccc5cc1.c17ccccn1.CC8(C)C.C4C3=O.O45.N36.C67 |
17020 | Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1] | Cc1cccc9c1.c16ccc7cc1.c18ccco1.C49=O.C58=O.N46.N57 |
17021 | COc1ccc(OCCn2cnc3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch1][P][O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | n17cnc2ccccc21.c15ccc6cc1.C4C7.CO5.O46 |
17023 | CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc(F)cc1.c15ccccc1.CS4(=O)=O.C3C2=O.N345.N26 |
17024 | O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | c15ccc6cc1.c18ccccc1.c17ccco1.O=C3C8.C47=O.N35.N46 |
17026 | CCOC(=O)COc1ccc2c(c1)C(=O)CC(C)(c1cccnc1)O2 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][#C] | c16ccc2c(c1)C(=O)CC7(C)O2.c17cccnc1.C3(=O)C5.CC4.O34.O56 |
17027 | CCNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1 | [C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c16ccc(F)cc1.C35=O.CC4.N34 |
17028 | Cc1ccc(CNC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.C16CC(=O)N8C1.c18ccc(Cl)cc1.C46=O.C57.N45 |
17029 | Cc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1ccccc1 | [C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc5ccc16.c18ccccc1.c17ccco1.C37=O.C48=O.N35.N46 |
17030 | CC(C)NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c16ccc(Cl)cc1.CC4C.C35=O.N34 |
17031 | CCNC(=O)C1CC(=O)N(c2ccc(CC)cc2)C1 | [C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][C][Ring1][=C] | C15CC(=O)N7C1.c17ccc6cc1.C35=O.CC4.N34.C6C |
17032 | CCOC(=O)Cn1nc(-c2ccccc2)ccc1=O | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O] | n15nc6ccc1=O.c16ccccc1.C3(=O)C5.CC4.O34 |
17033 | O=C(CSc1nc2ccccc2o1)N1CCOCC1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c15nc2ccccc2o1.N13CCOCC1.O=C3C4.S45 |
17034 | COC(=O)c1ccc(S(=O)(=O)c2ccc(C)cc2)c(N)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=C][Ring1][P] | c14ccc(S(=O)(=O)c2ccc(C)cc2)c(N)c1.C34=O.CO3 |
17035 | COc1ccc(Br)cc1S(=O)(=O)N1CCC(C)CC1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | c12ccc(Br)cc1S3(=O)=O.N13CCC(C)CC1.CO2 |
17036 | CCOC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O] | n15nc6ccc1=O.c16ccc(Cl)cc1.C3(=O)C5.CC4.O34 |
17037 | CNC(=O)Oc1cc2oc(=O)sc2cc1Cl | [C][N][C][=Branch1][C][=O][O][C][=C][C][O][C][=Branch1][C][=O][S][C][=Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl] | c15cc2oc(=O)sc2cc1Cl.C34=O.CN4.O35 |
17038 | O=C(NC1CCCCC1)n1c(=O)oc2ccccc21 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | O=C3n1c(=O)oc2ccccc21.C14CCCCC1.N34 |
17039 | O=C(NC1CCCCC1)n1c(=O)oc2cc(Cl)ccc21 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O] | O=C3n1c(=O)oc2cc(Cl)ccc21.C14CCCCC1.N34 |
17040 | CCOC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O] | n15nc6ccc1=O.c16ccc(C)cc1.C3(=O)C5.CC4.O34 |
17041 | COc1ccc(C(=O)Nc2ccccc2F)cc1OC | [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][O][C] | c14ccc7cc15.c16ccccc1F.C37=O.CO4.N36.O5C |
17042 | COC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)c(N)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][N][=C][Ring1][P] | c14ccc(S(=O)(=O)c2ccc(Cl)cc2)c(N)c1.C34=O.CO3 |
17043 | COc1cc(C(=O)N2CCC(C(N)=O)CC2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc8cc5c16.N13CCC7CC1.C38=O.C7(N)=O.CO4.O5C.O6C |
17044 | NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][P] | S3(=O)(=O)c1cc(Cl)ccc1Cl.C14CCN3CC1.NC4=O |
17045 | O=C(Nc1ccc2c(c1)OCO2)c1ccccc1F | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccc2c(c1)OCO2.c15ccccc1F.O=C35.N34 |
17046 | COc1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c17ccc2c(c1)OCO2.c15ccc8cc16.C8C4=O.CO5.N47.O6C |
17047 | O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S3(=O)c1ccccc1.c14ccc2c(c1)OCO2.N34 |
17048 | Cc1ccc(CN2C(=O)CSc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | C4N1C(=O)CSc2ccccc21.Cc1ccc4cc1 |
17049 | O=C(NCc1ccccc1)c1coc2nc3ccccc3nc12 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][Ring1][#Branch2] | c16coc2nc3ccccc3nc12.c17ccccc1.O=C46.N45.C57 |
17050 | O=C1CSc2ccccc2N1Cc1ccccc1F | [O][=C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=C1CSc2ccccc2N1C3.c13ccccc1F |
17051 | Cc1cc(Cl)ccc1OCC(=O)N1CCOCC1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1cc(Cl)ccc14.N12CCOCC1.C3C2=O.O34 |
17052 | O=C(NCc1ccccc1Cl)c1ccc(N2CCCC2=O)cc1 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | c16ccccc1Cl.c15ccc7cc1.N17CCCC1=O.O=C35.N34.C46 |
17053 | O=C(NC1CCCC1)c1ccc(N2CCCC2=O)cc1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | c15ccc6cc1.N16CCCC1=O.C14CCCC1.O=C35.N34 |
17054 | CC1CCCCC1NC(=O)c1ccc(N2CCCC2=O)cc1 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | CC1CCCCC14.c15ccc6cc1.N16CCCC1=O.C35=O.N34 |
17055 | COc1ccccc1CNC(=O)c1ccc(N2CCCC2=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | c14ccccc17.c16ccc8cc1.N18CCCC1=O.C36=O.CO4.C57.N35 |
17057 | CCC(C)NC(=O)c1ccc(N2CCCC2=O)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | c15ccc6cc1.N16CCCC1=O.CCC4C.C35=O.N34 |
17058 | CC1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1 | [C][C][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][C][Ring2][Ring1][Branch1] | CC1CCC5CC1.c16ccc7cc1.N17CCCC1=O.C46=O.N45 |
17059 | COc1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c17ccc9cc1.N19CCCC1=O.C47=O.CO5.C68.N46 |
17060 | O=C(NCCc1ccccc1)c1ccc(N2CCCC2=O)cc1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | c15ccc7cc1.c16ccccc1.N17CCCC1=O.O=C35.C4C6.N34 |
17061 | O=C(NC1CCCCCC1)c1ccc(N2CCCC2=O)cc1 | [O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | C14CCCCCC1.c15ccc6cc1.N16CCCC1=O.O=C35.N34 |
17062 | CCOC(=O)c1ccc2nc3c(cc2c1)CCS3 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][S][Ring1][Branch2] | c16ccc2nc3c(cc2c1)CCS3.C46=O.CC5.O45 |
17063 | COc1ccc(-c2nc(NC(=O)c3ccco3)sc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][=Ring1][=N][C][C][=C][Ring2][Ring1][Ring2] | c15ccc8cc1.c18nc6sc1C.c17ccco1.C47=O.CO5.N46 |
17064 | COc1ccc(OC)c(-c2nc(NC(=O)c3ccco3)sc2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][=Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c15ccc6c9c1.c19nc7sc1C.c18ccco1.C48=O.CO5.O6C.N47 |
17065 | COc1ccc(-c2nc(NC(=O)c3ccco3)sc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][=Ring1][=N][C][C][=C][Ring2][Ring1][Ring2][O][C] | c15ccc9cc16.c19nc7sc1C.c18ccco1.C48=O.CO5.N47.O6C |
17066 | Cc1ccc(-c2nc(NC(=O)c3cccnc3)sc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.c17nc5sc1C.c16cccnc1.C46=O.N45 |
17067 | Cc1ccc(-c2nc(NC(=O)c3cccnc3)sc2C)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][=C][C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7c(C)c1.c17nc5sc1C.c16cccnc1.C46=O.N45 |
17068 | Cc1ccc(-c2nc(NC(=O)c3cccnc3)sc2C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][=C][C][C][=C][Ring2][Ring1][Branch1][C] | Cc1ccc7cc1C.c17nc5sc1C.c16cccnc1.C46=O.N45 |
17069 | Nc1ncnc2oc(-c3ccoc3)c(-c3ccco3)c12 | [N][C][=N][C][=N][C][O][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][Ring1][=Ring1][#C] | Nc1ncnc2oc4c5c12.c14ccoc1.c15ccco1 |
17070 | Cc1cccc(C)c1NC(=O)C1CCCN1C(=O)OCC(C)C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] | Cc1cccc(C)c16.C17CCCN14.C5C(C)C.C37=O.C24=O.N36.O25 |
17071 | COC(=O)c1cnn2c(C)c(Cc3ccccc3C)c(C)nc12 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][C][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][=N][C][=Ring2][Ring1][Ring1][Ring1][S] | c15cnn2c(C)c6c(C)nc12.c17ccccc1C.C45=O.CO4.C67 |
17072 | Cc1cccc(NC(=O)C2CCCN2C(=O)OCC(C)C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1] | Cc1cccc7c1.C18CCCN15.C6C(C)C.C48=O.C35=O.N47.O36 |
17073 | CC(C)COC(=O)N1CCCC1C(=O)Nc1ccc(Cl)cc1 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c16ccc(Cl)cc1.N13CCCC17.CC(C)C5.C23=O.C47=O.O25.N46 |
17074 | COc1ccc(NC(=O)C2CCCN2C(=O)OCC(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1] | c17ccc8cc1.C19CCCN15.C6C(C)C.C49=O.C35=O.CO7.N48.O36 |
17075 | COC(=O)c1cnn2c(C)c(Cc3ccc(F)cc3)c(C)nc12 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][C][=Ring2][Ring1][Ring1][Ring1][S] | c15cnn2c(C)c6c(C)nc12.c17ccc(F)cc1.C45=O.CO4.C67 |
17076 | CC(C)COC(=O)N1CCCC1C(=O)NC1CCCCCC1 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1] | C16CCCCCC1.N13CCCC17.CC(C)C5.C23=O.C47=O.O25.N46 |
17077 | O=C1CC(C(=O)NCCc2ccccc2)c2ccccc2N1 | [O][=C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1] | O=C1CC(C3=O)c2ccccc2N1.c15ccccc1.C4C5.N34 |
17078 | Cc1ccccc1NC(=O)C1CC(O)CN1C(=O)OCC(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] | Cc1ccccc16.C17CC(O)CN14.C5C(C)C.C37=O.C24=O.N36.O25 |
17079 | Cc1cccc(NC(=O)C2CC(O)CN2C(=O)OCC(C)C)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1][C] | Cc1cccc7c1C.C18CC(O)CN15.C6C(C)C.C48=O.C35=O.N47.O36 |
17080 | COC(=O)c1cnn2c(C)c(Cc3ccc(C)cc3)c(C)nc12 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][C][=Ring2][Ring1][Ring1][Ring1][S] | c15cnn2c(C)c6c(C)nc12.c17ccc(C)cc1.C45=O.CO4.C67 |
17081 | Cc1cccc(C)c1NC(=O)C1CC(O)CN1C(=O)OCC(C)C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] | Cc1cccc(C)c16.C17CC(O)CN14.C5C(C)C.C37=O.C24=O.N36.O25 |
17082 | CCOc1ccc(S(=O)(=O)Nc2cccnc2)c2ccccc12 | [C][C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c14ccc(S5(=O)=O)c2ccccc12.c16cccnc1.CC3.O34.N56 |
17083 | Cc1cccc(NC(=O)C2CC(O)CN2C(=O)OCC(C)C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cccc7c1.C18CC(O)CN15.C6C(C)C.C48=O.C35=O.N47.O36 |
17084 | COC(=O)c1cnn2c(C)c(Cc3ccccc3)c(C)nc12 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][C][=Ring2][Ring1][C][Ring1][#C] | c15cnn2c(C)c6c(C)nc12.c17ccccc1.C45=O.CO4.C67 |
17085 | Cc1ccc(NC(=O)C2CC(O)CN2C(=O)OCC(C)C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc7cc1C.C18CC(O)CN15.C6C(C)C.C48=O.C35=O.N47.O36 |
17086 | CC(C)COC(=O)N1CC(O)CC1C(=O)Nc1ccc(Cl)cc1 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | N13CC(O)CC17.c16ccc(Cl)cc1.CC(C)C5.C23=O.C47=O.O25.N46 |
17087 | COC(=O)c1cnn2c(C)c(Cc3ccccc3F)c(C)nc12 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][C][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][=N][C][=Ring2][Ring1][Ring1][Ring1][S] | c15cnn2c(C)c6c(C)nc12.c17ccccc1F.C45=O.CO4.C67 |
17089 | CC(C)COC(=O)N1CC(O)CC1C(=O)Nc1ccc(F)cc1 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N13CC(O)CC17.c16ccc(F)cc1.CC(C)C5.C23=O.C47=O.O25.N46 |
17090 | O=C(NC(O)C(Cl)(Cl)Cl)c1ccc(F)cc1 | [O][=C][Branch1][=C][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.C3(O)C(Cl)(Cl)Cl.O=C24.N23 |
17091 | COc1cccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | c16cccc8c1.C19CCCN15.c17ccccc1.C49=O.C35=O.CO6.N48.O37 |
17092 | O=c1oc2ccccc2c2c1ncn2Cc1ccccc1 | [O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1oc2ccccc2c2c1ncn23.c14ccccc1.C34 |
17093 | CCOC(=O)N1CCN(C(=O)c2ccccc2OC)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][S] | N14CCN5CC1.c18ccccc17.C34=O.C58=O.CC6.O36.O7C |
17094 | CCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c1%10cc6c7c8c1.c15ccc9cc1.C3%10=O.CC4.O45.N39.O6C.O7C.O8C |
17095 | O=C(Nc1ccccn1)c1cc(Br)ccc1Cl | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Br)ccc1Cl.c13ccccn1.O=C24.N23 |
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