ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
10686 | Cc1oc(-c2ccccc2)cc1C(=O)NCc1ccncc1 | [C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1oc7cc15.c17ccccc1.c16ccncc1.C35=O.N34.C46 |
10689 | Cn1nc(-c2ccccc2)cc1NC(=O)c1cccs1 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | Cn1nc6cc14.c16ccccc1.c15cccs1.C35=O.N34 |
10690 | Cc1nnsc1C(=O)Nc1cc(-c2ccccc2)nn1C | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C] | c14cc6nn1C.Cc1nnsc15.c16ccccc1.C35=O.N34 |
10691 | Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2C)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=N][O][Ring2][Ring1][Ring2] | c15cc7nn1C.Cc1cc6no1.c17ccccc1.C46=O.N45 |
10692 | Cn1nc(-c2ccccc2)cc1NC(=O)c1ccccc1 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1nc6cc14.c16ccccc1.c15ccccc1.C35=O.N34 |
10693 | CCOC(=O)c1cnn(C(=O)c2cccc3ccccc23)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Ring1][P][N] | c17cccc2ccccc12.c16cnn(C7=O)c1N.C46=O.CC5.O45 |
10694 | Cn1c(=O)c2c(nc(Sc3ccccc3N)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][Ring1][=Branch1][N][N][Ring1][=N][C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(nc4n2C)n(C)c1=O.c15ccccc1N.S45 |
10695 | Cc1cc(-c2ccccc2C(=O)Nc2ccccc2O)on1 | [C][C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][N][=Ring2][Ring1][Branch1] | c16ccccc15.c14ccccc1O.Cc1cc6on1.C35=O.N34 |
10696 | Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1 | [C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cn1c5nnc16.c14ccc(Cl)cc1.c16ccncc1.C3C4=O.S35 |
10697 | O=C(OCc1ccccc1)n1nnc2ccccc21 | [O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=C3n1nnc2ccccc21.c15ccccc1.O34.C45 |
10698 | CCC1c2c(nc(C)[nH]c2=O)Oc2c1c(=O)oc1ccccc21 | [C][C][C][C][=C][Branch1][O][N][=C][Branch1][C][C][NH1][C][Ring1][#Branch1][=O][O][C][=C][Ring1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | CCC1c2c(nc(C)[nH]c2=O)Oc2c1c(=O)oc1ccccc21 |
10699 | CCOC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | n15cnc2c(cnn26)c1=O.c16ccccc1.C3(=O)C5.CC4.O34 |
10700 | NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1 | [N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(O)cc1.NC(=O)C3C5.c14ccccc1.C24=O.N23 |
10703 | NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc6n14.c14ccccc1.c16ccco1.NC(=O)C3.S35 |
10704 | Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1 | [C][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch1] | Cc1cc4n6n1.c15ccc(F)cc1.c16ccccc1.C35=O.N34 |
10705 | O=C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 | [O][=C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C][Ring2][Ring1][#Branch1] | C6C1c2ccccc2-c2ccccc21.O=C1CCN5CC1.C45=O.O46 |
10707 | O=C1c2ccccc2S(=O)(=O)N1Cc1nc2ccccc2s1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | O=C1c2ccccc2S(=O)(=O)N13.c14nc2ccccc2s1.C34 |
10708 | O=C1c2ccccc2S(=O)(=O)N1Cc1ccc2nonc2c1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | O=C1c2ccccc2S(=O)(=O)N13.c14ccc2nonc2c1.C34 |
10709 | Cc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | N15C(=O)c2ccccc2S1(=O)=O.Cc1ccc4cc1.C4(=O)C5 |
10710 | COc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | N16C(=O)c2ccccc2S1(=O)=O.c14ccc5cc1.C5(=O)C6.CO4 |
10711 | O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(F)cc1.c14ccc2cc1.O2C(F)F.N34 |
10712 | Cc1ccc(S(=O)(=O)Nc2cccc3nnc(C)cc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][N][=C][Branch1][C][C][C][=C][Ring1][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c15cccc2nnc(C)cc12.Cc1ccc(S4(=O)=O)cc1.N45 |
10713 | Cc1cc2c(NS(=O)(=O)c3cn(C)cn3)cccc2nn1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][=C][C][=C][Ring1][S][N][=N][Ring2][Ring1][Ring2] | Cc1cc2c5cccc2nn1.S4(=O)(=O)c1cn(C)cn1.N45 |
10714 | COC(=O)CNC(=O)C1CCC(c2ccc(Cl)cc2)CC1 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | C16CCC7CC1.c17ccc(Cl)cc1.C3(=O)C5.C46=O.CO3.N45 |
10715 | CC(=O)Nc1cc(Br)ccc1OC(F)(F)F | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][Branch1][C][F][F] | c14cc(Br)ccc13.O3C(F)(F)F.CC2=O.N24 |
10716 | Cc1nn(-c2ccccc2)nc1C(=O)N1CCCc2ccccc21 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N13CCCc2ccccc21.Cc1nn5nc14.c15ccccc1.C34=O |
10718 | O=S(=O)(c1ccc2c(c1)CCO2)N1CCCc2ccccc21 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | O=S3(=O)c1ccc2c(c1)CCO2.N13CCCc2ccccc21 |
10719 | O=C(c1ccc2nccnc2c1)N1CCCc2ccccc21 | [O][=C][Branch1][#C][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c14ccc2nccnc2c1.N13CCCc2ccccc21.O=C34 |
10720 | Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C#N)cc1 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] | S3(=O)(=O)c1ccc(C#N)cc1.Cn1nc5cc14.c15ccccc1.N34 |
10721 | Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S4(=O)=O)cc1.c15cc6nn1C.c16ccccc1.N45 |
10722 | Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.Cn1nc5cc14.c15ccccc1.N34 |
10723 | CCOC(=O)c1nnn(Cc2ccccc2Cl)c1N | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][=N][N] | c15nnn6c1N.c17ccccc1Cl.C35=O.CC4.O34.C67 |
10724 | NC(=O)c1nnn(Cc2ccccc2Cl)c1N | [N][C][=Branch1][C][=O][C][N][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][=N][N] | c13nnn4c1N.c15ccccc1Cl.NC3=O.C45 |
10726 | CCOC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch2][Ring1][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][Ring1][O][C][Ring1][#C][=O] | n16cnc2c(sc3nc(C)cc(C)c32)c1=O.C4(=O)C6.CC5.O45 |
10728 | O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 | [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][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCCO2.c15ccc2c(c1)OCO2.O=C35.N34 |
10730 | Oc1ccccc1-c1nc(-c2ccc3c(c2)CCO3)n[nH]1 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][=N][NH1][Ring1][=C] | c15ccc2c(c1)CCO2.Oc1ccccc14.c14nc5n[nH]1 |
10731 | COc1ccc(-c2nc(=O)c3ccccc3o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][O][C] | c16nc(=O)c2ccccc2o1.c14ccc6cc15.CO4.O5C |
10732 | Cn1nc(-c2ccccc2)cc1NC(=O)Nc1ccccc1F | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cn1nc7cc15.c16ccccc1F.c17ccccc1.C34=O.N35.N46 |
10733 | CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][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][Ring1][P] | S6(=O)(=O)c1ccc(C)cc1.N14CCC7CC1.C34=O.CC5.O35.N67 |
10735 | CCOC(=O)N1CCC(NS(=O)(=O)c2c(C)noc2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][P] | S6(=O)(=O)c1c(C)noc1C.N14CCC7CC1.C34=O.CC5.O35.N67 |
10740 | CCOC(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][#C] | N14CCC7CC1.c18cc(C)on1.C34=O.C58=O.CC6.O36.N57 |
10741 | CCOC(=O)N1CCC(NC(=O)c2snnc2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][C][C][Ring1][#C] | N14CCC7CC1.c18snnc1C.C34=O.C58=O.CC6.O36.N57 |
10742 | CCOC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | N14CCC7CC1.C18CCCCC1.C34=O.C58=O.CC6.O36.N57 |
10744 | O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCCc2ccccc21 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | O=S3(=O)c1ccc4cc1.N13CCCc2ccccc21.n14cccn1 |
10745 | CN(CCc1ccccn1)S(=O)(=O)c1ccc2c(c1)CCO2 | [C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | S4(=O)(=O)c1ccc2c(c1)CCO2.c15ccccn1.CN34.C3C5 |
10746 | O=C(Nc1ccccc1C(F)(F)F)c1ccsc1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][=C][S][C][=Ring1][Branch1] | c13ccccc15.c14ccsc1.C5(F)(F)F.O=C24.N23 |
10747 | CCCc1ccc(OCC(C)O)c(C(C)=O)c1O | [C][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=C][O] | c15ccc3c4c1O.C2C(C)O.CCC5.C4(C)=O.O23 |
10748 | COc1c(OCc2ccccc2)ccc(C(C)=O)c1O | [C][O][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][P][O] | c14c5ccc6c1O.c17ccccc1.C6(C)=O.CO4.O35.C37 |
10749 | O=C(Nc1cccs1)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][=Branch2][N][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | N14CCN6CC1.c16ncccn1.c15cccs1.O=C34.N35 |
10750 | O=C(NCC1COc2ccccc2O1)C1CCCCC1 | [O][=C][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1] | C16COc2ccccc2O1.C15CCCCC1.O=C35.N34.C46 |
10751 | CC=Cc1cc(C(C)=O)c(O)c(CCC)c1NC(C)=O | [C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][O][C][Branch1][Ring2][C][C][C][=C][Ring1][=N][N][C][Branch1][C][C][=O] | C=5c1cc4c(O)c6c13.C4(C)=O.C6CC.C2(C)=O.CC=5.N23 |
10752 | Cc1nnsc1C(=O)NCC1COc2ccccc2O1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C16COc2ccccc2O1.Cc1nnsc15.C35=O.N34.C46 |
10754 | Cc1noc(C)c1S(=O)(=O)NCC1COc2ccccc2O1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | Cc1noc(C)c1S4(=O)=O.C15COc2ccccc2O1.N34.C35 |
10755 | O=S(=O)(NCC1COc2ccccc2O1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | C15COc2ccccc2O1.O=S4(=O)c1cccs1.N34.C35 |
10756 | CCCc1c(O)c(C(C)=O)cc(C(C)=O)c1NCC | [C][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=N][N][C][C] | c16c3c5cc4c1O.CCC6.C4(C)=O.C5(C)=O.N23.C2C |
10757 | COc1cccc(NC(=O)N2CCN(C(=O)C3CCCO3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1] | c17cccc8c1.N15CCN6CC1.C19CCCO1.C45=O.C69=O.CO7.N48 |
10759 | CCOC(=O)N1CCC(NC(=O)Nc2ccc(C)c(Cl)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][C] | c18ccc(C)c(Cl)c1.N14CCC9CC1.C34=O.C56=O.CC7.O37.N59.N68 |
10760 | COc1ccc(NS(=O)(=O)c2ccccc2)cn1 | [C][O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][S] | S4(=O)(=O)c1ccccc1.c13ccc5cn1.CO3.N45 |
10761 | COc1ccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][Ring2][Ring1][C] | S4(=O)(=O)c1ccc(C)c(Cl)c1.c13ccc5cn1.CO3.N45 |
10762 | COc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=N][Ring2][Ring1][Ring2] | S6(=O)(=O)c1ccc4c5c1.c13ccc7cn1.CO3.N67.O4C.O5C |
10763 | COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][Ring1][P] | S4(=O)(=O)c1ccc(F)cc1.c13ccc5cn1.CO3.N45 |
10764 | NC(=O)c1ccccc1NCC(=O)c1ccc(F)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccccc13.c15ccc(F)cc1.C2C5=O.NC4=O.N23 |
10765 | COc1ccc(NC(=O)Nc2ccc(F)cc2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][Ring1][P] | c15ccc6cn1.c17ccc(F)cc1.C34=O.CO5.N36.N47 |
10767 | CCOc1ccccc1NC(=O)Nc1ccc(OC)nc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2] | c16ccccc17.c18ccc5nc1.C23=O.CC4.O46.N27.N38.O5C |
10768 | Cc1ccc(CNC(=O)Nc2ccc(F)cc2F)n1C | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][Ring2][Ring1][C][C] | c16ccc(F)cc1F.Cc1ccc7n1C.C34=O.C57.N35.N46 |
10769 | Cc1ccc(CNC(=O)Nc2ccc(F)cc2)n1C | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][P][C] | Cc1ccc7n1C.c16ccc(F)cc1.C34=O.C57.N35.N46 |
10770 | Cc1ccc(CNS(=O)(=O)c2cccs2)n1C | [C][C][=C][C][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#C][C] | S4(=O)(=O)c1cccs1.Cc1ccc5n1C.C35.N34 |
10771 | Cc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1C | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][Ring2][Ring1][Ring2][C] | S4(=O)(=O)c1ccc6cc1.Cc1ccc5n1C.C6(F)(F)F.C35.N34 |
10772 | COc1ccc(Cl)cc1NC(=O)NCc1ccc(C)n1C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C] | c14ccc(Cl)cc16.c17ccc(C)n1C.C23=O.CO4.N26.N35.C57 |
10774 | Cc1c(Cl)cccc1NC(=O)NCc1ccc(C)n1C | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C] | Cc1c5cccc1Cl.c16ccc(C)n1C.C23=O.N25.N34.C46 |
10775 | Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2CCCO2)CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=N] | Cc1noc(C)c1S4(=O)=O.N14CCN3CC1.C15CCCO1.C35=O |
10776 | COc1ccc(NC(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c15ccc6cc1.C17CC(=O)N8C1.c19ccc(F)cc1.C47=O.CO5.N46.C89 |
10777 | Cc1ccc(NC(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc5cc1.C16CC(=O)N7C1.c18ccc(F)cc1.C46=O.N45.C78 |
10778 | COc1ccc(-c2nnsc2NC(=O)c2ccccc2CO)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][Ring2][Ring1][=Branch1] | c14ccc8cc1.c16ccccc17.c18nnsc15.C36=O.CO4.N35.C7O |
10781 | COc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c18ccc(C#N)cc1.C37=O.CO4.N36.C68.O5C |
10782 | CCOC(=O)c1cn2nc(N3CCCC3)ccc2n1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][C][Ring1][O][=N][Ring1][=C] | c17cn2nc6ccc2n1.N16CCCC1.C47=O.CC5.O45 |
10783 | Cc1ccc(C(=O)CC(O)C(Cl)(Cl)Cl)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][Ring1][#C] | C2(=O)CC(O)C(Cl)(Cl)Cl.Cc1ccc2cc1 |
10787 | CC(C)S(=O)(=O)c1csc(C(=O)Nc2ccc(F)cc2)c1N | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][S][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C][N] | CC(C)S(=O)(=O)c1csc5c1N.c14ccc(F)cc1.C35=O.N34 |
10788 | Cn1cnc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1 | [C][N][C][=N][C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][=C][Ring2][Ring1][=Branch1] | Cn1cnc(S6(=O)=O)c1.N16CCCN4CC1.C5(C)(C)C.C34=O.O35 |
10790 | COc1cccc(Cc2nnc(-c3snnc3C)o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][S][N][=N][C][=Ring1][Branch1][C][O][Ring1][O][=C][Ring2][Ring1][C] | c14cccc6c1.c15nnc7o1.c17snnc1C.CO4.C56 |
10791 | CC(C)(C)OC(=O)N1CCCN(C(=O)Nc2ccccc2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N14CCCN5CC1.c18ccccc1.CC7(C)C.C34=O.C56=O.O37.N68 |
10792 | Cn1c(=O)c2c(nc(N3CCc4ccccc4C3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][Ring1][#C][C][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2c(nc5n2C)n(C)c1=O.N15CCc2ccccc2C1 |
10794 | O=C(c1cnn(-c2ccc(Cl)cc2)n1)c1cccs1 | [O][=C][Branch2][Ring1][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][N][C][=C][C][=C][S][Ring1][Branch1] | c15ccc(Cl)cc1.c13cnn5n1.c14cccs1.O=C34 |
10795 | CCOC(=O)c1c(Cl)c2ccccc2n(C)c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][N][=O] | c15c(Cl)c2ccccc2n(C)c1=O.C35=O.CC4.O34 |
10796 | Nc1nn(-c2ccc(Cl)cc2)nc1C(=O)c1ccccc1 | [N][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nn5nc13.c15ccc(Cl)cc1.c14ccccc1.C34=O |
10797 | COC(=O)c1c(Cl)c2ccccc2n(C)c1=O | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][N][=O] | c14c(Cl)c2ccccc2n(C)c1=O.C34=O.CO3 |
10798 | CCOC(=O)c1c(Cl)c2cccc3c2n(c1=O)CCC3 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch1][C][Ring1][O][=O][C][C][C][Ring1][Branch2] | c16c(Cl)c2cccc3c2n(c1=O)CCC3.C46=O.CC5.O45 |
10799 | O=C(NC(Nc1ncccn1)C(Cl)(Cl)Cl)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | C34C(Cl)(Cl)Cl.c15ncccn1.c16ccccc1.O=C26.N23.N45 |
10801 | CCOC(=O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1 | [C][C][O][C][=Branch1][C][=O][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][Ring1][#C] | c17ccc6cc1.c15nnc7o1.C6(F)(F)F.C35=O.CC4.O34 |
10805 | O=C(Nc1ccc2c(c1)OCCO2)c1ccc2nccnc2c1 | [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][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c14ccc2c(c1)OCCO2.c15ccc2nccnc2c1.O=C35.N34 |
10806 | NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | C16CCN4CC1.c17ccccc1.NC6=O.C34=O.O35.C57 |
10807 | Cc1ccc2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2n1 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][C][C][=C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][Branch2] | Cc1ccc2cc5ccc2n1.c16ccc7nc1C.C7(F)(F)F.C46=O.N45 |
10809 | Cc1nnsc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=C] | N13CCC5(O)CC1.c15ccc(Cl)cc1.Cc1nnsc14.C34=O |
10811 | O=S(=O)(c1ccccc1)n1c(CO)cc2ccccc21 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Ring1][C][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | O=S(=O)(c1ccccc1)n1c3cc2ccccc21.C3O |
10812 | Cn1c(=O)c2c(nc(N3CCCCCC3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][Ring1][N][C][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] | Cn1c(=O)c2c(nc4n2C)n(C)c1=O.N14CCCCCC1 |
10813 | Cn1c(=O)c2c(nc(NC3CCCC3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][P][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][N][Ring1][O][C][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)c2c(nc4n2C)n(C)c1=O.C15CCCC1.N45 |
10814 | O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1cccc2ccccc12 | [O][=C][C][Branch1][C][F][=C][N][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | O=c1c(F)cn5c(=O)n13.c14cccc2ccccc12.C15CCCO1.C34 |
10815 | Cn1c(=O)c2c(ncn2Cc2nnc(-c3ccccc3)o2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch2][N][=C][N][Ring1][Branch1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O] | Cn1c(=O)c2c(ncn24)n(C)c1=O.c15nnc6o1.c16ccccc1.C45 |
10816 | COc1ccc(Cl)c(Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | n15cnc2c1c(=O)n(C)c(=O)n2C.c14ccc(Cl)c6c1.CO4.C56 |
10817 | O=c1[nH]c2cc(Cl)c(Cl)cc2n1-c1ccncc1 | [O][=C][NH1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=c1[nH]c2cc(Cl)c(Cl)cc2n13.c13ccncc1 |
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