ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
33720 | CSc1ncccc1C(=O)Nc1cccc(C)c1 | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c15ncccc14.c13cccc(C)c1.C24=O.CS5.N23 |
33721 | CSc1ncccc1C(=O)Nc1ccc(Br)cc1 | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ncccc14.c13ccc(Br)cc1.C24=O.CS5.N23 |
33722 | CSc1ncccc1C(=O)Nc1ccccc1C | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c15ncccc14.c13ccccc1C.C24=O.CS5.N23 |
33723 | COc1ccccc1NC(=O)c1cccnc1SC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C] | c13ccccc14.c15cccnc16.C25=O.CO3.N24.S6C |
33724 | CSc1ncccc1C(=O)Nc1ccccc1Cl | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ncccc14.c13ccccc1Cl.C24=O.CS5.N23 |
33725 | COC(=O)c1ccc(OC(=O)c2cccnc2SC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][=C][Ring1][P] | c16ccc5cc1.c17cccnc18.C36=O.C47=O.CO3.O45.S8C |
33726 | NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C14CCN3CC1.c15ccc(Br)cc1.NC4=O.C35=O |
33727 | O=C(c1ccccc1Cl)N1CCN(c2ccccc2F)CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | c15ccccc1Cl.N13CCN4CC1.c14ccccc1F.O=C35 |
33728 | CCCC(=O)Nc1ccccc1NC(=O)c1ccco1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c14ccccc15.CCCC2=O.c16ccco1.C36=O.N24.N35 |
33729 | COc1ccc(-c2noc(-c3ccccc3OC)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][O][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc7cc16.c18ccccc15.c17noc8n1.CO4.O5C.O6C |
33730 | CSc1ncccc1C(=O)Nc1cc2c(cc1C(C)=O)OCO2 | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][O][C][O][Ring1][#Branch2] | c14cc2c(cc16)OCO2.c17ncccc15.C35=O.C6(C)=O.CS7.N34 |
33732 | Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1F | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cc1nc6ncc15.c14ccccc1F.c16ccccc1.C35=O.N34 |
33734 | COc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][C][=C][Ring2][Ring1][=Branch1] | c17cnc8nc1C.c15ccc6cc1.c18ccccc1.C47=O.CO5.N46 |
33735 | CC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][C][=C][Ring2][Ring1][=Branch1] | c18cnc9nc1C.c16ccc7cc1.c19ccccc1.CC4=O.C58=O.N46.N57 |
33736 | COc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C] | c16cnc7nc1C.c14ccccc15.c17ccccc1.C36=O.CO4.N35 |
33737 | CC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][C][=C][Ring2][Ring1][=Branch1] | c17cnc8nc1C.c16ccc5cc1.c18ccccc1.CC6=O.C47=O.N45 |
33738 | COCc1cc(C)nc2sc(C(=O)Nc3ccccc3F)c(N)c12 | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Branch1][C][N][C][Ring2][Ring1][Branch1][=Ring1][S] | c18cc(C)nc2sc7c(N)c12.c16ccccc1F.C47=O.CO5.C58.N46 |
33739 | COCc1cc(C)nc2sc(C(=O)Nc3ccc(C)cc3)c(N)c12 | [C][O][C][C][=C][C][Branch1][C][C][=N][C][S][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Branch1][C][N][C][Ring2][Ring1][Branch1][=Ring1][S] | c18cc(C)nc2sc7c(N)c12.c16ccc(C)cc1.C47=O.CO5.C58.N46 |
33740 | CC(C)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c18ccc5cc1.c16ccc7cc1.C4C3=O.CC8C.C7(N)=O.O45.N36 |
33741 | Cc1cc(C)cc(OCC(=O)Nc2ccc(C(N)=O)cc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | Cc1cc5cc(C)c1.c16ccc7cc1.C4C3=O.C7(N)=O.O45.N36 |
33742 | CC(=O)Nc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c16cc(C)cc(C)c1.c17ccc8cc1.C4(=O)C5.CC3=O.N37.N48.O56 |
33743 | Cc1cc(C)cc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] | c16ccc(S(N)(=O)=O)cc1.Cc1cc5cc(C)c1.C4C3=O.O45.N36 |
33749 | CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc(S5(=O)=O)cc1.c17ccccc1.CCC3=O.C4C7.N36.N45 |
33750 | O=C(Nc1nonc1NC(=O)c1ccc(F)cc1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccc(F)cc1.c16ccc(F)cc1.c14nonc15.O=C26.C37=O.N24.N35 |
33751 | Cc1ccc(C(=O)Nc2nonc2NC(=O)c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] | Cc1ccc7cc1.c18ccc(C)cc1.c15nonc16.C37=O.C48=O.N35.N46 |
33752 | Cc1ccccc1C(=O)Nc1nonc1NC(=O)c1ccccc1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | Cc1ccccc16.c17ccccc1C.c14nonc15.C26=O.C37=O.N24.N35 |
33753 | CC(C)c1ccccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c17ccccc14.c15ccc6cc1.C3C2=O.CC7C.C6(N)=O.O34.N25 |
33754 | CC(C)c1ccccc1OCC(=O)NCc1ccccc1 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc14.c17ccccc1.C3C2=O.CC6C.O34.N25.C57 |
33755 | Fc1ccccc1COc1ccccc1CNn1cnnc1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][C][=N][N][=C][Ring1][Branch1] | Fc1ccccc14.c13ccccc15.C5Nn1cnnc1.C24.O23 |
33756 | COc1ccc2c(c1OC)C(=O)OC2Nc1cccc(NC(C)=O)c1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2] | c14ccc2c(c15)C(=O)OC2N6.c16cccc7c1.C3(C)=O.CO4.O5C.N37 |
33757 | Nc1nnnn1NCc1ccc(OCc2ccccc2)cc1 | [N][C][=N][N][=N][N][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | Nc1nnnn1NC5.c15ccc4cc1.c16ccccc1.O34.C36 |
33758 | CCC(c1nc2ccccc2n1C)C(O)c1ccc(OC)cc1 | [C][C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c14nc2ccccc2n1C.c15ccc3cc1.CCC4C5O.O3C |
33759 | CNS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][O][C] | S2(=O)(=O)c1cc3cc(C)c1C.C3(C)(C)C.CN2 |
33760 | CCOC(=O)c1c(C)n(C)c2ccc(OCC(N)=O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][S][Ring1][O] | c17c(C)n(C)c2ccc6cc12.C5C(N)=O.C37=O.CC4.O34.O56 |
33761 | COc1cc(CO)ccc1OCc1ccccc1Cl | [C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c13cc5ccc14.c16ccccc1Cl.CO3.C5O.O24.C26 |
33762 | CCOC(=O)Cc1c(C)c2ccc(OC(C)=O)cc2oc1=O | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][C][Ring1][#C][=O] | c17c(C)c2ccc6cc2oc1=O.C3(=O)C7.C4(C)=O.CC5.O35.O46 |
33763 | COC(=O)CC1(C)OCC2(CC=C(C)CC2)CO1 | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][O][C][C][Branch1][O][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1][C][O][Ring1][=N] | C14(C)OCC2(CC=C(C)CC2)CO1.C3(=O)C4.CO3 |
33764 | CCOc1ccc2c(c1)=NC1(N=2)C(=O)N(C)c2ccccc21 | [C][C][O][C][C][=C][C][C][Branch1][Ring2][C][=Ring1][=Branch1][=N][C][Branch1][Ring2][N][=Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | c14ccc2c(c1)=NC1(N=2)C(=O)N(C)c2ccccc21.CC3.O34 |
33765 | O=C(Cc1ccc2c(c1)OCO2)c1ccc2c(c1O)OCCO2 | [O][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][C][O][Ring1][Branch2] | c13ccc2c(c1O)OCCO2.c14ccc2c(c1)OCO2.O=C3C4 |
33766 | COc1ccc2c(c1OC)C(=O)OC2CC(=O)C1CC1 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | c13ccc2c(c14)C(=O)OC2CC5=O.C15CC1.CO3.O4C |
33768 | O=C(Cc1ccc2c(c1)OCCO2)c1ccc(O)cc1O | [O][=C][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c14ccc2c(c1)OCCO2.c13ccc(O)cc1O.O=C3C4 |
33769 | CC(C)=CC1C(C(=O)NCc2ccccn2)C1(C)C | [C][C][Branch1][C][C][=C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N][Branch1][C][C][C] | C=6C1C5C1(C)C.c17ccccn1.CC=6C.C35=O.N34.C47 |
33770 | CC(=O)Oc1ccc2c(=O)c(-c3cscn3)c(C)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=C][Branch1][C][C][O][C][Ring1][=N][=C][Ring1][P] | c15ccc2c(=O)c6c(C)oc2c1.c16cscn1.CC4=O.O45 |
33771 | O=c1c(-c2ccc3c(c2)OCCO3)coc2ccccc12 | [O][=C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | O=c1c4coc2ccccc12.c14ccc2c(c1)OCCO2 |
33772 | COc1ccc(CC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | N14CC2CC(C1)c1cccc(=O)n1C2.c15ccc6cc1.C6C4=O.CO5 |
33773 | CN(C)c1ccc(-c2nnc3c(n2)c(=O)n(C)c(=O)n3C)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][O][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][Ring2][Ring1][Ring2] | c15nnc2c(n1)c(=O)n(C)c(=O)n2C.c14ccc5cc1.CN4C |
33774 | COC(=O)C1CC=CCC1C(=O)NCCc1c[nH]c2ccccc12 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c18c[nH]c2ccccc12.C16CC=CCC17.C36=O.C47=O.C5C8.CO3.N45 |
33775 | O=C1CC2(C(=O)CCCC2=O)C2c3ccccc3CCN12 | [O][=C][C][C][Branch1][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring2][Ring1][Ring2][Ring1][#Branch2] | O=C1CC2(C(=O)CCCC2=O)C2c3ccccc3CCN12 |
33776 | O=c1c2ccccc2nc2n1CCC2(Br)Br | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][C][Ring1][Branch1][Branch1][C][Br][Br] | O=c1c2ccccc2nc2n1CCC2(Br)Br |
33777 | O=c1c2ccccc2nc2n1CCC2=C1CCCCC1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][C][Ring1][Branch1][=C][C][C][C][C][C][Ring1][=Branch1] | O=c1c2ccccc2nc2n1CCC2=3.C1=3CCCCC1 |
33778 | CNC(=O)NC1N(C)C(=O)NC(C(C)C)C1(C)C | [C][N][C][=Branch1][C][=O][N][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][O][Branch1][C][C][C] | C14N(C)C(=O)NC5C1(C)C.C23=O.C5(C)C.CN2.N34 |
33779 | Cn1c(=O)c2nc3ccc(N)cc3nc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][=C][Ring1][O][N][Branch1][C][C][C][Ring1][P][=O] | Cn1c(=O)c2nc3ccc(N)cc3nc2n(C)c1=O |
33780 | CC(=O)OCC12COC(C)C(C(C)=CC1C)C2C | [C][C][=Branch1][C][=O][O][C][C][C][O][C][Branch1][C][C][C][Branch1][#Branch2][C][Branch1][C][C][=C][C][Ring1][#Branch2][C][C][Ring1][N][C] | C125COC(C)C(C(C)=CC1C)C2C.CC3=O.O34.C45 |
33781 | Cn1c2c(c(=O)n(C)c1=O)CCC(c1ccccc1)O2 | [C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][Branch2][=O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][C] | Cn1c2c(c(=O)n(C)c1=O)CCC3O2.c13ccccc1 |
33783 | CN(C)c1ccc(C2OCCC3(CCOC(C)(C)C3)O2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][C][C][Branch1][=C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | C15OCCC2(CCOC(C)(C)C2)O1.c14ccc5cc1.CN4C |
33784 | CCc1cc2c(=O)c(-c3nc(C)cs3)c(C)oc2cc1OC(C)=O | [C][C][C][=C][C][C][=Branch1][C][=O][C][Branch1][O][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=C][Branch1][C][C][O][C][=Ring1][=C][C][=C][Ring2][Ring1][C][O][C][Branch1][C][C][=O] | c16cc2c(=O)c7c(C)oc2cc15.c17nc(C)cs1.C4(C)=O.CC6.O45 |
33785 | CN(C)c1ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1 | [C][N][Branch1][C][C][C][=C][C][=C][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=N][C][Ring1][=C][=C][Ring2][Ring1][C] | c14ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1.CN4C |
33786 | CC1(C)CC(=O)C2(CC(=O)N3CCc4ccccc4C32)C(=O)C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][Ring1][=C][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1] | CC1(C)CC(=O)C2(CC(=O)N3CCc4ccccc4C32)C(=O)C1 |
33787 | CC(=O)OC1CCn2c1nc1ccc(Br)cc1c2=O | [C][C][=Branch1][C][=O][O][C][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][O][=O] | O3C1CCn2c1nc1ccc(Br)cc1c2=O.CC3=O |
33788 | CCN1C(=O)CN2c3ccc(C)cc3C(C)(C)C12C | [C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][S][Ring1][N][C] | N14C(=O)CN2c3ccc(C)cc3C(C)(C)C12C.CC4 |
33789 | O=C(Cc1ccc2cccnc2c1)c1ccc(O)cc1O | [O][=C][Branch1][S][C][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c14ccc2cccnc2c1.c13ccc(O)cc1O.O=C3C4 |
33790 | CCCC(=O)N1CC2CC(C1)c1cccc(=O)n1C2 | [C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N] | N13CC2CC(C1)c1cccc(=O)n1C2.CCCC3=O |
33792 | CCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1OC(=O)OC | [C][C][C][=C][C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][O][C][=Ring1][=N][C][=C][Ring1][P][O][C][=Branch1][C][=O][O][C] | c17cc2c(=O)c8coc2cc16.c18csc(C)n1.C45=O.CC7.O46.O5C |
33793 | CC(=O)NCCC1C(=O)N(Cc2ccccc2)c2ccc(C)cc21 | [C][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring2][Ring1][C] | C4CC1C(=O)N(C5)c2ccc(C)cc21.c15ccccc1.CC3=O.N34 |
33794 | CC(=O)OC1CC(C)N(C(C)=O)c2ccc(C)cc21 | [C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][#C] | O3C1CC(C)N4c2ccc(C)cc21.CC3=O.C4(C)=O |
33795 | CC1(C)c2cc(Br)ccc2N2CC(=O)NC21C | [C][C][Branch1][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][Ring1][#C][C] | CC1(C)c2cc(Br)ccc2N2CC(=O)NC21C |
33797 | COC(=O)c1c(C)nc(C)c2c(=O)oc3c(OC)cccc3c12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][Ring2][Ring1][Ring1][=Ring1][=N] | c16c(C)nc(C)c2c(=O)oc3c5cccc3c12.C46=O.CO4.O5C |
33798 | CC(=O)Oc1ccc2c(=O)c(Oc3ccc(C)cc3)coc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2c(=O)c6coc2c1.c17ccc(C)cc1.CC4=O.O45.O67 |
33799 | COC(=O)C(CC(C)C)NC(=O)c1ccccn1 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] | C2(=O)C4CC(C)C.c15ccccn1.C35=O.CO2.N34 |
33801 | CCOC(=O)c1ncn(C(C(=O)OC)C(C)C)c1N | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][Branch1][#C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][=Ring1][=N][N] | c15ncn6c1N.C6(C3=O)C(C)C.C25=O.CC4.O24.O3C |
33803 | Cc1oc2c3c(ccc2c(=O)c1-c1ccc2c(c1)OCCO2)OCO3 | [C][C][O][C][=C][C][=Branch2][Ring1][=N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][O][C][O][Ring2][Ring1][Branch1] | Cc1oc2c3c(ccc2c(=O)c14)OCO3.c14ccc2c(c1)OCCO2 |
33804 | CC(C)C1CC(CC(N)=O)(c2ccccc2)CCO1 | [C][C][Branch1][C][C][C][C][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][S] | C13CC45CCO1.c15ccccc1.C4C(N)=O.CC3C |
33806 | CCC1OCC2(COC(C)=O)CC1C(C)=CC2C | [C][C][C][O][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][C][Ring1][O][C][Branch1][C][C][=C][C][Ring1][N][C] | C15OCC26CC1C(C)=CC2C.C3(C)=O.CC5.C46.O34 |
33807 | Cc1nc(-c2c(C)oc3c4c(ccc3c2=O)OCCO4)cs1 | [C][C][=N][C][Branch2][Ring1][O][C][=C][Branch1][C][C][O][C][=C][C][=Branch1][#Branch2][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][O][C][C][O][Ring1][O][=C][S][Ring2][Ring1][Branch1] | c15c(C)oc2c3c(ccc2c1=O)OCCO3.Cc1nc5cs1 |
33808 | CC(=O)OCC12CC=C(C)C(C1)C(C(C)C)OC2 | [C][C][=Branch1][C][=O][O][C][C][C][C][=C][Branch1][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][Branch1][=Branch1][C][Branch1][C][C][C][O][C][Ring1][=N] | C126CC=C(C)C(C1)C5OC2.CC3=O.C5(C)C.O34.C46 |
33809 | Oc1ccccc1-c1nocc1-c1ccc2c(c1)OCCO2 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=C][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.Oc1ccccc13.c13nocc14 |
33810 | O=C(c1ccc2c(c1)OCO2)N1CC2CC(C1)c1cccc(=O)n1C2 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N] | N13CC2CC(C1)c1cccc(=O)n1C2.c14ccc2c(c1)OCO2.O=C34 |
33811 | CC(C)NC(=O)NC1CC(C)NC(=O)N1C(C)C | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Ring1][Branch2][C][Branch1][C][C][C] | C15CC(C)NC(=O)N16.CC4C.C23=O.C6(C)C.N24.N35 |
33813 | Cn1c2c(c(=O)c3ccccc31)CC(C(C)(O)CO)O2 | [C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][O][C][O][O][Ring2][Ring1][C] | Cn1c2c(c(=O)c3ccccc31)CC4O2.C4(C)(O)CO |
33814 | CC(=O)Oc1cc(C)c2c(=O)c(-c3csc(C)n3)c(C)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Branch1][C][C][O][C][Ring1][=C][=C][Ring2][Ring1][Ring1] | c15cc(C)c2c(=O)c6c(C)oc2c1.c16csc(C)n1.CC4=O.O45 |
33815 | CCOC(=O)C(C)Oc1ccc2ccc(=O)oc2c1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] | c16ccc2ccc(=O)oc2c1.C3(=O)C5C.CC4.O34.O56 |
33816 | Cc1oc2c3c(ccc2c(=O)c1-c1ccc(N)cc1)OCCO3 | [C][C][O][C][=C][C][=Branch2][Ring1][Branch2][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][C][C][O][Ring2][Ring1][Ring1] | Cc1oc2c3c(ccc2c(=O)c14)OCCO3.c14ccc(N)cc1 |
33817 | CCOC(=O)COc1cc2oc(=O)cc(C)c2cc1CC | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=Ring1][Branch2][C][=C][Ring1][N][C][C] | c16cc2oc(=O)cc(C)c2cc17.C3(=O)C5.CC4.O34.O56.C7C |
33818 | O=C(CCc1ccccc1)N1CC2CC(C1)c1cccc(=O)n1C2 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N] | N13CC2CC(C1)c1cccc(=O)n1C2.c14ccccc1.O=C3CC4 |
33819 | O=c1oc2cc(O)ccc2cc1-c1ccc2c(c1)OCO2 | [O][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | O=c1oc2cc(O)ccc2cc13.c13ccc2c(c1)OCO2 |
33820 | COC(=O)c1ccc(CC(=O)c2ccc(O)cc2O)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][O][Ring1][S] | c15ccc(O)cc1O.c14ccc6o1.C6C5=O.C34=O.CO3 |
33821 | Cc1nc(NC(=O)c2ccccc2)nc2c1C1C(C2)C1(C)C | [C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][#C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][C][C] | Cc1nc4nc2c1C1C(C2)C1(C)C.c15ccccc1.C35=O.N34 |
33823 | CC(=O)OCC12CC=C(C)C(C1)C(c1cccnc1)OC2 | [C][C][=Branch1][C][=O][O][C][C][C][C][=C][Branch1][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Ring1][S] | C125CC=C(C)C(C1)C6OC2.c16cccnc1.CC3=O.O34.C45 |
33824 | COc1cc(C2C3C(C)NC(=O)N(C)C3NC(=O)N2C)ccc1O | [C][O][C][=C][C][Branch2][Ring1][N][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Ring1][=C][C][=C][C][=C][Ring2][Ring1][Branch1][O] | C15C2C(C)NC(=O)N(C)C2NC(=O)N1C.c14cc5ccc1O.CO4 |
33825 | COc1ccc(C23CCC(CC2)C(=O)O3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][=Branch2][C][=C][Ring1][#C][O][C] | C126CCC(CC1)C(=O)O2.c14ccc6cc15.CO4.O5C |
33826 | O=C1CC(c2csc(-c3ccccc3)n2)C2(CCCC2)O1 | [O][=C][C][C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][Ring2][Ring1][Ring2] | O=C1CC4C2(CCCC2)O1.c14csc5n1.c15ccccc1 |
33827 | COc1cc2c(cc1OC)C1(CCCC1)CN(C(C)=O)C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][P] | c14cc2c(cc15)C1(CCCC1)CN3C2.C3(C)=O.CO4.O5C |
33828 | Cc1cc(=O)oc2cc(OC(C)C(=O)N3CCC(C)CC3)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C] | Cc1cc(=O)oc2cc6ccc12.N14CCC(C)CC1.C5(C)C4=O.O56 |
33829 | Cc1noc(-c2ccc(O)cc2O)c1-c1ccc2c(c1)OCCO2 | [C][C][=N][O][C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=C][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.c13ccc(O)cc1O.Cc1noc3c14 |
33830 | CC12CCCCC13NC(=O)CCN3c1ccccc12 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | CC12CCCCC13NC(=O)CCN3c1ccccc12 |
33831 | CSc1ncnc2c1ncn2C1OC(CO)C(O)C1O | [C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O] | c15ncnc2c1ncn24.C14OC3C(O)C1O.CS5.C3O |
33832 | O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][C] | O=C1CC3Oc2cc(O)ccc21.c13ccc(O)cc1 |
33833 | CC(=O)Oc1ccc2cc(-c3ccc4c(c3)OCO4)c(=O)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c16ccc2cc7c(=O)oc2c1.c17ccc2c(c1)OCO2.CC5=O.O56 |
33834 | CCOC(=O)c1cc2cc(CC(=O)c3ccc(O)cc3O)ccc2o1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=C][C][=C][Ring1][P][O][Ring2][Ring1][Ring2] | c16cc2cc8ccc2o1.c17ccc(O)cc1O.C8C7=O.C46=O.CC5.O45 |
33835 | Cc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 | [C][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1ccc2c(=O)c5coc2c1.c15ccc2c(c1)OCCO2 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.