ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
46688 | O=C(c1ncn2c(=O)n(-c3ccccc3)nnc12)N1CCCCC1 | [O][=C][Branch2][Ring1][O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=Ring1][S][Ring1][=N][N][C][C][C][C][C][Ring1][=Branch1] | c15ncn2c(=O)n6nnc12.c16ccccc1.N14CCCCC1.O=C45 |
46689 | CCCn1nnc2c(C(=O)N3CCCCC3)ncn2c1=O | [C][C][C][N][N][=N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][Ring1][=N][C][Ring1][P][=O] | n16nnc2c5ncn2c1=O.N14CCCCC1.CCC6.C45=O |
46690 | CCOC(=O)c1ncn2c(=O)n(-c3ccc(C)cc3)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=N][C][=Ring1][P][Ring1][=C] | c16ncn2c(=O)n7nnc12.c17ccc(C)cc1.C46=O.CC5.O45 |
46691 | CCOC(=O)c1ncn2c(=O)n(C3CCCCC3)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][=N][C][=Ring1][S][Ring1][=N] | c16ncn2c(=O)n7nnc12.C17CCCCC1.C46=O.CC5.O45 |
46692 | Cc1ccc(-n2nnc3c(C(=O)N4CCOCC4)ncn3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][N][=N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][=C][N][Ring1][=N][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2] | n17nnc2c6ncn2c1=O.Cc1ccc7cc1.N15CCOCC1.C56=O |
46693 | O=C(c1ncn2c(=O)n(C3CCCCC3)nnc12)N1CCOCC1 | [O][=C][Branch2][Ring1][O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][=N][C][=Ring1][S][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | c15ncn2c(=O)n6nnc12.C16CCCCC1.N14CCOCC1.O=C45 |
46694 | CCOC(=O)c1ncn2c(N)c(C(=O)NCC3CCCCC3)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][C][=Ring2][Ring1][Ring2][Ring1][P] | c18ncn2c(N)c9nnc12.C1%10CCCCC1.C48=O.C59=O.CC6.O46.N57.C7%10 |
46695 | CCn1cc(CNc2cccnc2)c2ccccc21 | [C][C][N][C][=C][Branch1][O][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n15cc6c2ccccc21.c14cccnc1.CC5.C36.N34 |
46697 | Cc1ccccc1Cn1cnc2oc(-c3ccncc3)nc2c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][Ring1][#C][=O] | n14cnc2oc6nc2c1=O.Cc1ccccc15.c16ccncc1.C45 |
46698 | O=c1c2nc(-c3ccncc3)oc2ncn1Cc1ccccc1Cl | [O][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=Ring1][O][N][=C][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=c1c2nc6oc2ncn14.c15ccccc1Cl.c16ccncc1.C45 |
46699 | CC(=O)C1C(c2ccc3c(c2)OCO3)c2c(noc2C)CC1(C)O | [C][C][=Branch1][C][=O][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][=Branch1][#Branch1][=N][O][C][=Ring1][Branch1][C][C][C][Ring2][Ring1][Ring1][Branch1][C][C][O] | C14C(c2ccc3c(c2)OCO3)c2c(noc2C)CC1(C)O.CC4=O |
46700 | CCOC(=O)c1cnc(SC)nc1Nc1onc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C] | c16cnc7nc14.c15onc(C)c1C.C26=O.CC3.O23.S7C.N45 |
46701 | COc1c(-c2cc(C(F)(F)F)on2)c(O)c(OC)c2occc12 | [C][O][C][=C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][N][=Ring1][=Branch2][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][O][C][=C][C][Ring2][Ring1][Branch1][=Ring1][Branch1] | c13c6c(O)c4c2occc12.c16cc5on1.C5(F)(F)F.CO3.O4C |
46702 | COc1cccc(C2c3c(noc3C)CC(C)(O)C2C(C)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][C][C][=Branch1][#Branch1][=N][O][C][=Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][O][C][Ring1][N][C][Branch1][C][C][=O][=C][Ring2][Ring1][Branch1] | c14cccc(C2c3c(noc3C)CC(C)(O)C25)c1.C5(C)=O.CO4 |
46703 | COCc1cc(C)nc2sc(C(=O)Nc3nccs3)c(N)c12 | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Branch1][C][N][C][Ring2][Ring1][Ring1][=Ring1][=C] | c18cc(C)nc2sc7c(N)c12.c16nccs1.C47=O.CO5.C58.N46 |
46704 | O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc6cs1.c16ccccc1.c14ccccc1.O=C3C5.N34 |
46705 | CCOC(=O)c1csc(NC(=O)c2ccc(C)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][#C] | c18ccc(C)cc1.c17csc6n1.C37=O.C48=O.CC5.O35.N46 |
46706 | O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccccc1O | [O][=C][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c14ccccc1O.c15nc6cs1.c16ccccc1.O=C3C5.N34 |
46707 | Cc1nc2snnc2c(=O)n1Cc1ccccc1 | [C][C][=N][C][S][N][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2snnc2c(=O)n13.c14ccccc1.C34 |
46709 | CNC(=O)c1nnsc1-n1nnc2ccccc21 | [C][N][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15nnc2ccccc21.c14nnsc15.C34=O.CN3 |
46710 | CCOC(=O)c1nnsc1N1CC(C)OC(C)C1 | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | N14CC(C)OC(C)C1.c15nnsc14.C25=O.CC3.O23 |
46711 | CNC(=O)c1nnsc1-n1cnc2ccccc21 | [C][N][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15cnc2ccccc21.c14nnsc15.C34=O.CN3 |
46712 | CCOC(=O)c1nnsc1NC(=O)N1CC(C)OC(C)C1 | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | N14CC(C)OC(C)C1.c17nnsc16.C27=O.C34=O.CC5.O25.N36 |
46713 | CN(C)C(=O)c1nnsc1NC(=O)Nc1ccncc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c17nnsc15.c16ccncc1.CN2C.C27=O.C34=O.N35.N46 |
46714 | CCOC(=O)c1nnsc1NC(=O)NC1CCCCC1 | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | c18nnsc16.C17CCCCC1.C28=O.C34=O.CC5.O25.N36.N47 |
46715 | CCOC(=O)c1nnsc1NC(=O)NCc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18nnsc17.c19ccccc1.C28=O.C34=O.CC5.O25.N37.N46.C69 |
46716 | Cc1cccc(NC(=O)c2nnsc2N(C)C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][Branch1][C][C][C][=C][Ring1][P] | Cc1cccc5c1.c16nnsc14.C36=O.N4(C)C.N35 |
46717 | CSc1snnc1C(=O)Nc1ccc(O)cc1 | [C][S][C][S][N][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c13ccc(O)cc1.c15snnc14.C24=O.CS5.N23 |
46718 | CN(C)c1snnc1C(=O)Nc1c(Cl)cccc1Cl | [C][N][Branch1][C][C][C][S][N][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | c14c(Cl)cccc1Cl.c13snnc15.CN3C.C25=O.N24 |
46719 | CSc1snnc1C(=O)Nc1ccccc1 | [C][S][C][S][N][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15snnc14.c13ccccc1.C24=O.CS5.N23 |
46720 | Cc1cccc(Cn2cnc3snnc3c2=O)c1 | [C][C][=C][C][=C][C][Branch1][S][C][N][C][=N][C][S][N][=N][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][=C][Ring1][P] | n14cnc2snnc2c1=O.Cc1cccc5c1.C45 |
46721 | O=c1c2nnsc2ncn1Cc1ccccc1Cl | [O][=C][C][N][=N][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=c1c2nnsc2ncn13.c14ccccc1Cl.C34 |
46722 | O=c1c2nnsc2ncn1Cc1ccc(F)cc1 | [O][=C][C][N][=N][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=c1c2nnsc2ncn13.c14ccc(F)cc1.C34 |
46723 | O=c1c2nnsc2ncn1Cc1ccc(Cl)cc1 | [O][=C][C][N][=N][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=c1c2nnsc2ncn13.c14ccc(Cl)cc1.C34 |
46725 | CCOC(=O)CSc1snnc1C(=O)NC | [C][C][O][C][=Branch1][C][=O][C][S][C][S][N][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C] | c17snnc16.C2(=O)C5.C36=O.CC4.O24.S57.N3C |
46726 | CNC(=O)c1nnsc1NC(=O)Nc1ccc(C)cc1 | [C][N][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c16ccc(C)cc1.c17nnsc15.C27=O.C34=O.CN2.N35.N46 |
46727 | CNC(=O)c1nnsc1N1CC(C)OC(C)C1 | [C][N][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | N13CC(C)OC(C)C1.c14nnsc13.C24=O.CN2 |
46728 | CCOC(=O)c1nnsc1Nc1cccc(OC)c1 | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c16cccc4c1.c17nnsc15.C27=O.CC3.O23.N56.O4C |
46729 | CCOC(=O)c1nnsc1Nc1ccccc1F | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.c16nnsc14.C26=O.CC3.O23.N45 |
46730 | CCOC(=O)c1nnsc1Nc1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c16nnsc14.C26=O.CC3.O23.N45 |
46731 | CC(CCc1ccccc1)n1cnc2nnsc2c1=O | [C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][N][=N][S][C][=Ring1][Branch1][C][Ring1][=Branch2][=O] | n13cnc2nnsc2c1=O.c14ccccc1.CC3CC4 |
46732 | Cc1ccc(NC(=O)Nc2snnc2C(=O)NC(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][S][N][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc8cc1.c17snnc19.C34=O.C59=O.C6(C)C.N38.N47.N56 |
46733 | CC(C)NC(=O)c1nnsc1NC(=O)Nc1ccc(Cl)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c17ccc(Cl)cc1.c18nnsc16.CC5C.C28=O.C34=O.N25.N36.N47 |
46734 | CNC(=O)c1nnsc1NC(=O)Nc1ccccc1 | [C][N][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnsc15.c16ccccc1.C27=O.C34=O.CN2.N35.N46 |
46735 | CC(C)NC(=O)c1nnsc1NC(=O)Nc1ccccc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18nnsc16.c17ccccc1.CC5C.C28=O.C34=O.N25.N36.N47 |
46736 | CCOC(=O)c1nnsc1NC(=O)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnsc15.c17ccccc1.C26=O.C37=O.CC4.O24.N35 |
46737 | CCOC(=O)c1nnsc1Nc1ccccc1N | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N] | c15ccccc1N.c16nnsc14.C26=O.CC3.O23.N45 |
46738 | CCOC(=O)c1nnsc1Nc1cc(C)c(C)cc1N | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][N] | c15cc(C)c(C)cc1N.c16nnsc14.C26=O.CC3.O23.N45 |
46739 | NC(=O)c1nnsc1Nc1ccccc1NC(=O)c1ccccc1 | [N][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc15.c16nnsc13.c17ccccc1.NC6=O.C27=O.N34.N25 |
46740 | CCOC(=O)c1c(NC(C)=O)oc(=O)c2nnsc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][O][C][=Branch1][C][=O][C][N][=N][S][C][Ring1][=C][=Ring1][Branch1] | c17c6oc(=O)c2nnsc12.C37=O.C4(C)=O.CC5.O35.N46 |
46741 | CCOC(=O)c1nnsc1-n1nnc2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n16nnc2ccccc21.c15nnsc16.C35=O.CC4.O34 |
46742 | NC(=O)c1nnsc1CC(=O)NCc1ccccc1F | [N][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.c14nnsc15.C5C2=O.NC4=O.N23.C36 |
46743 | Cc1nnsc1C(=O)n1nc(C(F)(F)F)cc1-c1cccs1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1] | C2(=O)n1nc3cc14.Cc1nnsc12.c14cccs1.C3(F)(F)F |
46744 | COc1cc(Cn2cnc3snnc3c2=O)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][C][N][C][=N][C][S][N][=N][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | n17cnc2snnc2c1=O.c14cc8cc5c16.CO4.C78.O5C.O6C |
46745 | O=c1c2nnsc2ncn1Cc1cccc(C(F)(F)F)c1 | [O][=C][C][N][=N][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | O=c1c2nnsc2ncn13.c14cccc5c1.C5(F)(F)F.C34 |
46746 | O=c1c2nnsc2ncn1C1CCCCCC1 | [O][=C][C][N][=N][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][C][C][C][C][C][Ring1][#Branch1] | O=c1c2nnsc2ncn13.C13CCCCCC1 |
46747 | O=c1c2nnsc2ncn1CCCn1ccnc1 | [O][=C][C][N][=N][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][C][N][C][=C][N][=C][Ring1][Branch1] | O=c1c2nnsc2ncn13.n14ccnc1.C3CC4 |
46748 | Cc1ccccc1Cn1cnc2snnc2c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][S][N][=N][C][=Ring1][Branch1][C][Ring1][=Branch2][=O] | n13cnc2snnc2c1=O.Cc1ccccc14.C34 |
46749 | O=c1c2nnsc2ncn1Cc1ccccc1Br | [O][=C][C][N][=N][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | O=c1c2nnsc2ncn13.c14ccccc1Br.C34 |
46750 | CCOC(=O)c1nnsc1Nc1ccccc1C | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c15ccccc1C.c16nnsc14.C26=O.CC3.O23.N45 |
46754 | CCOC(=O)c1nnsc1Sc1nncc(-c2ccccc2)n1 | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][S][C][=N][N][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][N] | c17nncc8n1.c15nnsc16.c18ccccc1.C35=O.CC4.O34.S67 |
46755 | FC(F)(F)c1nnc(C(F)(F)F)n1Cc1ccccc1 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nnc4n12.c15ccccc1.FC3(F)F.C4(F)(F)F.C25 |
46756 | Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2N)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][N][=C][Ring2][Ring1][Branch1] | Cc1cccc5c1.c17nnc6n1N.C3(=O)C4.C6(F)(F)F.N35.S47 |
46757 | Cc1nnc2n1N=C(c1ccc3c(c1)OCCO3)CS2 | [C][C][=N][N][=C][N][Ring1][Branch1][N][=C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][S][Ring1][S] | Cc1nnc2n1N=C(c1ccc3c(c1)OCCO3)CS2 |
46758 | CCOc1ccc(NC2=Nn3c(C)nnc3SC2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][Ring1][#Branch2][C][=C][Ring1][P] | N6C1=Nn2c(C)nnc2SC1.c15ccc6cc1.CC4.O45 |
46759 | CCN(CC)C(=O)Oc1cc2nnnn2nc1-c1ccccc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][=C][C][=N][N][=N][N][Ring1][Branch1][N][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc2nnnn2nc18.c18ccccc1.N467.C34=O.CC6.C7C.O35 |
46760 | Clc1ccc(-c2nncnc2N2CCCC2)cc1 | [Cl][C][=C][C][=C][Branch1][S][C][=N][N][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][P] | Clc1ccc4cc1.c14nncnc13.N13CCCC1 |
46761 | CC(C)c1nnc(-c2ccccc2)c(N2CCOCC2)n1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c14nnc5c3n1.c15ccccc1.N13CCOCC1.CC4C |
46762 | CCOC(=O)c1nnn2c1SCC(c1ccccc1)=N2 | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][C][=Ring1][Branch1][S][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][N] | c15nnn2c1SCC(c1ccccc1)=N2.C35=O.CC4.O34 |
46764 | CCOC(=O)c1nnn2c1SCC(c1ccc(OC)cc1)=N2 | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][C][=Ring1][Branch1][S][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][=C] | c16nnn2c1SCC(c1ccc5cc1)=N2.C36=O.CC4.O34.O5C |
46766 | O=C(Nc1nnc(N2CCCC2)s1)c1cccc(O)c1 | [O][=C][Branch2][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c16cccc(O)c1.c14nnc5s1.N15CCCC1.O=C36.N34 |
46767 | COc1cccc(C(=O)Nc2nnc(N3CCCC3)s2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c15cccc8c1.c16nnc7s1.N17CCCC1.C48=O.CO5.N46 |
46768 | O=C(Nc1nnc(N2CCCC2)s1)c1ccccc1Cl | [O][=C][Branch2][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16ccccc1Cl.c14nnc5s1.N15CCCC1.O=C36.N34 |
46769 | COc1cc(C(=O)Nc2nnc(N3CCCCC3)s2)ccc1O | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][O] | c15cc8ccc1O.c16nnc7s1.N17CCCCC1.C48=O.CO5.N46 |
46770 | COc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1O | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][O] | c15cc7ccc1O.c16nnc8s1.c18ccccc1.C47=O.CO5.N46 |
46771 | CCOC(=O)CSc1nc(N)cc2ncnn12 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][=N][C][=N][N][Ring1][#Branch2][Ring1][Branch1] | c16nc(N)cc2ncnn12.C3(=O)C5.CC4.O34.S56 |
46772 | CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)cc2)n2ncnc2N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch2] | CC1=C(C3=O)C(c2ccc(C)cc2)n2ncnc2N1.c14ccccc1.N34 |
46775 | Cc1cc(=O)n2nc(SCc3ccccc3)nc2n1N | [C][C][=C][C][=Branch1][C][=O][N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][N][Ring2][Ring1][C][N] | Cc1cc(=O)n2nc6nc2n1N.c15ccccc1.S46.C45 |
46776 | Cc1nc2n(CC(=O)c3ccc(Cl)cc3)c(C)cc(=O)n2n1 | [C][C][N][=C][N][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch1] | Cc1nc2n5c(C)cc(=O)n2n1.c14ccc(Cl)cc1.C5C4=O |
46777 | CCn1c(=O)cc(OC(=O)N(C)C)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][=C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n16c(=O)cc5c2ccccc21.C34=O.N4(C)C.CC6.O35 |
46779 | Cc1ccc(S(=O)(=O)NC(=O)c2cccc3cccnc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S5(=O)=O)cc1.c16cccc2cccnc12.C46=O.N45 |
46780 | Cc1nn(C)c2nc3c(F)c(F)c(F)c(F)c3cc12 | [C][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][Ring1][=C] | Cc1nn(C)c2nc3c(F)c(F)c(F)c(F)c3cc12 |
46781 | FC(F)(F)c1nnc2ccc(Sc3ccccn3)nn12 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][N][=C][C][=C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][S][Ring1][=N] | c14nnc2ccc5nn12.c16ccccn1.FC4(F)F.S56 |
46782 | Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Nc1ccc(S3(=O)=O)cc1.N13CCCCC14.c14cccnc1 |
46783 | Cc1ccc(COC(=O)NCc2cccnc2)cc1 | [C][C][=C][C][=C][Branch1][P][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc7cc1.c18cccnc1.C34=O.C57.O35.N46.C68 |
46784 | Cc1ccc(NC(=O)c2nnc3cc(-c4ccccc4)nn3c2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Ring1][#C][N][C][=C][Ring2][Ring1][=Branch2] | c17nnc2cc8nn2c1N.Cc1ccc6cc1.c18ccccc1.C57=O.N56 |
46785 | O=C(c1ncn2c1nnc1c3ccccc3ccc12)N1CCOCC1 | [O][=C][Branch2][Ring1][#Branch2][C][N][=C][N][C][=Ring1][Branch1][N][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][Ring1][=C][N][C][C][O][C][C][Ring1][=Branch1] | c15ncn2c1nnc1c3ccccc3ccc12.N14CCOCC1.O=C45 |
46786 | O=C(c1ncn2c1nnc1c3ccccc3ccc12)N1CCCCC1 | [O][=C][Branch2][Ring1][#Branch2][C][N][=C][N][C][=Ring1][Branch1][N][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][Ring1][=C][N][C][C][C][C][C][Ring1][=Branch1] | c15ncn2c1nnc1c3ccccc3ccc12.N14CCCCC1.O=C45 |
46787 | CCOc1ccc(-n2nc(C#N)c(=O)n(CC)c2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][N][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] | n16nc(C#N)c(=O)n5c1=O.c14ccc6cc1.CC3.O34.C5C |
46788 | O=C(Cn1nnc2ccccc21)NC1(N2CCC2=O)CCCCC1 | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][Branch1][Branch2][N][C][C][C][Ring1][Ring2][=O][C][C][C][C][C][Ring1][O] | n15nnc2ccccc21.C146CCCCC1.N16CCC1=O.O=C3C5.N34 |
46789 | CCOC(=O)c1cnn2c(N)c(C(N)=O)nnc12 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=N][C][=Ring1][=N][Ring1][#Branch2] | c16cnn2c(N)c5nnc12.C36=O.C5(N)=O.CC4.O34 |
46790 | CC(C)(C)OC(=O)NCC1CN(C(=O)OC(C)(C)C)CC1O | [C][C][Branch1][C][C][Branch1][C][C][O][C][=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][N][O] | C19CN5CC1O.CC6(C)C.C7(C)(C)C.C24=O.C35=O.O26.N48.C89.O37 |
46791 | O=C(OCC1c2ccccc2-c2ccccc21)N1CCOC(O)C1 | [O][=C][Branch2][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][N][C][C][O][C][Branch1][C][O][C][Ring1][#Branch1] | C5C1c2ccccc2-c2ccccc21.N14CCOC(O)C1.O=C34.O35 |
46793 | O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(O)CC1 | [O][=C][Branch2][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | C5C1c2ccccc2-c2ccccc21.N14CCC(O)CC1.O=C34.O35 |
46794 | COC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N] | C16CCN4CC1.C2(=O)CC6.C5(C)(C)C.C34=O.CO2.O35 |
46795 | COC(=O)CCC1CCCN(C(=O)OC(C)(C)C)C1 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N] | C16CCCN4C1.C2(=O)CC6.C5(C)(C)C.C34=O.CO2.O35 |
46797 | COc1ccccc1OCc1nc(-c2cccs2)no1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2] | c14ccccc15.c16nc7no1.c17cccs1.CO4.O35.C36 |
46798 | CC(NC(=O)c1ccc(Cl)cc1)c1ccc(O)cc1 | [C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c15ccc(O)cc1.CC35.C24=O.N23 |
46799 | COc1ccc(CCNC(=O)c2cccc3nc(C)oc23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][N][=C][Branch1][C][C][O][C][Ring1][#Branch2][=Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O][C] | c18cccc2nc(C)oc12.c15ccc9cc16.C9C7.C48=O.CO5.N47.O6C |
46800 | COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c1ccccc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][Branch1][N][O][C][Branch1][Ring1][C][O][=C][C][Ring1][Branch2][=O][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)C1=C(N)Oc2c(oc4cc2=O)C1c1ccccc1.CO3.C4O |
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