ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1924686 | Cc1ccc(NC(=O)NCCCN2CCc3ccccc32)cn1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=N][Ring2][Ring1][=Branch1] | N17CCc2ccccc21.Cc1ccc8cn1.C6CC7.C45=O.N48.N56 |
1924688 | CC(C)n1cnnc1CN(C)C(=O)C1COc2ccccc2C1 | [C][C][Branch1][C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | C15COc2ccccc2C1.n16cnnc17.CC6C.N34C.C35=O.C47 |
1924689 | Cc1nn(C)c2nc(N(C)CC3Cc4ccccc4O3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][Ring1][N][Branch1][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][S][C][Ring2][Ring1][Branch1][=Ring1][P] | Cc1nn(C)c2nc6sc12.C17Cc2ccccc2O1.N56C.C57 |
1924690 | O=C(Nc1cccc2c1CCC2)N1CCCC(c2nc[nH]n2)C1 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][N][C][C][C][C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][C][Ring1][O] | c15cccc2c1CCC2.N14CCCC6C1.c16nc[nH]n1.O=C34.N35 |
1924691 | CCc1c(C)cc(-c2nc(-c3ccc(C)nn3)no2)c(=O)n1C | [C][C][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][=N][O][Ring1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C] | c14c(C)cc6c(=O)n1C.c15ccc(C)nn1.c16nc5no1.CC4 |
1924692 | COC(=O)C1CC(O)CN1S(=O)(=O)c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(F)cc1.C14CC(O)CN13.C24=O.CO2 |
1924693 | NC(=O)C1CC(O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 | [N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | S2(=O)(=O)c1ccc(Cl)c(Cl)c1.C13CC(O)CN12.NC3=O |
1924694 | NC(c1ccc(F)cc1)c1nc(COc2ccc(Cl)cc2)n[nH]1 | [N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][NH1][Ring1][=C] | c17ccc(F)cc1.c14ccc(Cl)cc1.c15nc6n[nH]1.NC57.C36.O34 |
1924695 | COc1ccc(OCc2n[nH]c(C(N)c3ccc(F)cc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][O][C][C][=N][NH1][C][Branch1][S][C][Branch1][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c15ccc6cc1.c19ccc(F)cc1.c17n[nH]c8n1.C89N.CO5.O46.C47 |
1924696 | NC(c1ccc(F)cc1)c1nc(COc2ccc(F)cc2)n[nH]1 | [N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][NH1][Ring1][=C] | c17ccc(F)cc1.c14ccc(F)cc1.c15nc6n[nH]1.NC57.C36.O34 |
1924697 | NC(c1ccccc1)c1nc(COc2ccccc2)n[nH]1 | [N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][=N] | c17ccccc1.c15nc6n[nH]1.c14ccccc1.NC57.C36.O34 |
1924698 | NC(c1ccccc1)c1nc(COc2ccc(Cl)cc2)n[nH]1 | [N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][NH1][Ring1][=C] | c14ccc(Cl)cc1.c17ccccc1.c15nc6n[nH]1.NC57.C36.O34 |
1924699 | COc1ccc(OCc2n[nH]c(C(N)c3ccccc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=N][NH1][C][Branch1][=N][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.c17n[nH]c8n1.c19ccccc1.C89N.CO5.O46.C47 |
1924700 | NC(c1ccccc1)c1nc(COc2ccc(F)cc2)n[nH]1 | [N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][NH1][Ring1][=C] | c14ccc(F)cc1.c17ccccc1.c15nc6n[nH]1.NC57.C36.O34 |
1924701 | COc1cccc(C(N)c2nc(COc3ccccc3)n[nH]2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][Branch1][C][N][C][=N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][=N][=C][Ring2][Ring1][Branch1] | c15cccc9c1.c17nc8n[nH]1.c16ccccc1.C79N.CO5.C48.O46 |
1924702 | COc1cccc(C(N)c2nc(COc3ccc(Cl)cc3)n[nH]2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][Branch1][C][N][C][=N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][NH1][Ring1][=C][=C][Ring2][Ring1][=Branch1] | c15cccc9c1.c16ccc(Cl)cc1.c17nc8n[nH]1.C79N.CO5.C48.O46 |
1924703 | COc1ccc(OCc2n[nH]c(C(N)c3cccc(OC)c3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][O][C][C][=N][NH1][C][Branch1][P][C][Branch1][C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | c15ccc6cc1.c1%10cccc7c1.c18n[nH]c9n1.C9%10N.CO5.O46.C48.O7C |
1924704 | COc1cccc(C(N)c2nc(COc3ccc(F)cc3)n[nH]2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][Branch1][C][N][C][=N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][NH1][Ring1][=C][=C][Ring2][Ring1][=Branch1] | c15cccc9c1.c16ccc(F)cc1.c17nc8n[nH]1.C79N.CO5.C48.O46 |
1924706 | COc1ccc(OCc2n[nH]c(C(N)c3ccc(Cl)cc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][O][C][C][=N][NH1][C][Branch1][S][C][Branch1][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c15ccc6cc1.c19ccc(Cl)cc1.c17n[nH]c8n1.C89N.CO5.O46.C47 |
1924707 | NC(c1ccc(Cl)cc1)c1nc(COc2ccc(F)cc2)n[nH]1 | [N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][NH1][Ring1][=C] | c17ccc(Cl)cc1.c14ccc(F)cc1.c15nc6n[nH]1.NC57.C36.O34 |
1924708 | CC(O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O | [C][C][Branch1][C][O][C][=C][NH1][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O] | c15c[nH]c2ccc(S4(=O)=O)cc2c1=O.N14CCOCC1.CC5O |
1924709 | COC(=O)CSc1cc(C)nc2ccc(C)cc12 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][N][Ring1][#Branch1] | c15cc(C)nc2ccc(C)cc12.C3(=O)C4.CO3.S45 |
1924710 | COC(=O)CSc1cc(C)nc2c(C)cccc12 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][N][Ring1][#Branch1] | c15cc(C)nc2c(C)cccc12.C3(=O)C4.CO3.S45 |
1924711 | COC(=O)CSc1cc(C)nc2c(OC)ccc(OC)c12 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#C][Ring1][#Branch2] | c17cc(C)nc2c4ccc5c12.C3(=O)C6.CO3.S67.O4C.O5C |
1924712 | CCOc1ccc2nc(C)cc(SCC(=O)OC)c2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][C][Ring1][=N][=C][Ring1][P] | c15ccc2nc(C)cc7c2c1.C6C3=O.CC4.O45.S67.O3C |
1924713 | COC(=O)CSc1cc(C)nc2c(F)cccc12 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][N][Ring1][#Branch1] | c15cc(C)nc2c(F)cccc12.C3(=O)C4.CO3.S45 |
1924714 | COC(=O)CSc1cc(C)nc2ccc(F)cc12 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][N][Ring1][#Branch1] | c15cc(C)nc2ccc(F)cc12.C3(=O)C4.CO3.S45 |
1924715 | CCOc1cccc2c(SCC(=O)OC)cc(C)nc12 | [C][C][O][C][=C][C][=C][C][=C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][N][=C][Ring1][P][Ring1][=N] | c15cccc2c7cc(C)nc12.C6C3=O.CC4.O45.S67.O3C |
1924716 | COC(=O)CSc1cc(C)nc2ccc(N(C)C)cc12 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=C][Ring1][=Branch2] | c16cc(C)nc2ccc5cc12.C3(=O)C4.N5(C)C.CO3.S46 |
1924717 | COC(=O)CSc1cc(C)nc2c(OC)cccc12 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][=N][Ring1][Branch2] | c16cc(C)nc2c4cccc12.C3(=O)C5.CO3.S56.O4C |
1924718 | COC(=O)CNc1cc(C)nc2c(C(F)(F)F)cccc12 | [C][O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Ring1][#C][Ring1][#Branch2] | c15cc(C)nc2c6cccc12.C3(=O)C4.C6(F)(F)F.CO3.N45 |
1924719 | Cc1c2c(=O)[nH]c3ccc(Cl)cc3c2nn1C1CCCCO1 | [C][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][N][=N][N][Ring1][#C][C][C][C][C][C][O][Ring1][=Branch1] | Cc1c2c(=O)[nH]c3ccc(Cl)cc3c2nn14.C14CCCCO1 |
1924721 | CC(C)(C)OC(=O)N1CCCC(C2=NC(N)NC=C2)C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Branch1][N][C][=N][C][Branch1][C][N][N][C][=C][Ring1][#Branch1][C][Ring1][=N] | N14CCCC(C2=NC(N)NC=C2)C1.CC5(C)C.C34=O.O35 |
1924722 | O=S(=O)(c1ccccc1)n1ncc2c(CO)cccc21 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][C][=C][Branch1][Ring1][C][O][C][=C][C][=C][Ring1][Branch2][Ring1][O] | O=S(=O)(c1ccccc1)n1ncc2c3cccc21.C3O |
1924723 | Cn1cc(C(=O)OC(C)(C)C)c2ccc(F)nc21 | [C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][Ring1][P] | Cn1cc5c2ccc(F)nc21.C4(C)(C)C.C35=O.O34 |
1924724 | O=C1NCCSc2ccc(Br)cc21 | [O][=C][N][C][C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][N] | O=C1NCCSc2ccc(Br)cc21 |
1924725 | FC(F)(F)c1nn(C2CCCCO2)cc1Br | [F][C][Branch1][C][F][Branch1][C][F][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][O][Br] | c13nn4cc1Br.C14CCCCO1.FC3(F)F |
1924726 | CC(C)(C)OC(=O)N1CCC(c2nccs2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O] | N14CCC6CC1.c16nccs1.CC5(C)C.C34=O.O35 |
1924727 | COC(=O)c1cnn2c1CN(Cc1ccccc1)CC2 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | c15cnn2c1CN4CC2.c16ccccc1.C35=O.CO3.C46 |
1924728 | N#Cc1c[nH]c2nc(SCc3ccccc3)ncc12 | [N][#C][C][=C][NH1][C][=N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][P][Ring1][=C] | N#Cc1c[nH]c2nc6ncc12.c15ccccc1.S46.C45 |
1924729 | COc1cc(C(C)=O)c(N)cc1OCCCN1CCOCC1 | [C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][N][C][=C][Ring1][#Branch2][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1] | c13cc6c(N)cc14.N15CCOCC1.C2CC5.C6(C)=O.CO3.O24 |
1924731 | Cc1c(Br)cncc1CC1(O)CCOCC1 | [C][C][=C][Branch1][C][Br][C][=N][C][=C][Ring1][#Branch1][C][C][Branch1][C][O][C][C][O][C][C][Ring1][#Branch1] | Cc1c3cncc1Br.C12(O)CCOCC1.C23 |
1924732 | OC1(Cc2cncc(Br)c2)CCOCC1 | [O][C][Branch1][=N][C][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][O][C][C][Ring1][=C] | OC13CCOCC1.c14cncc(Br)c1.C34 |
1924733 | CCOC(=O)c1cnn(-c2ccnc(N3CCOCC3)c2)c1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][C][=Ring1][P] | c18ccnc6c1.c17cnn8c1.N16CCOCC1.C47=O.CC5.O45 |
1924734 | OCc1cnn(-c2ccnc(N3CCOCC3)c2)c1 | [O][C][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][C][=Ring1][P] | c16ccnc4c1.c15cnn6c1.N14CCOCC1.OC5 |
1924735 | CCOC(=O)c1cc2cc(Br)cnc2s1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][S][Ring1][#Branch2] | c15cc2cc(Br)cnc2s1.C35=O.CC4.O34 |
1924736 | CS(=O)(=O)Nc1ccc(OCC2CC2)cc1O | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][=C][Ring1][O][O] | c16ccc4cc1O.CS5(=O)=O.C17CC1.N56.O34.C37 |
1924737 | COC(=O)C1=C(N2CCCCC2C)CCN(C)C1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][N][Branch1][C][C][C][Ring1][=C] | C3(=O)C1=C(N2CCCCC2C)CCN(C)C1.CO3 |
1924739 | CC(C)(C)OC(=O)n1cc(Br)c2ccncc21 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][Branch1][C][Br][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][#Branch2] | C3(=O)n1cc(Br)c2ccncc21.CC4(C)C.O34 |
1924740 | CCOC(=O)C1CC(=O)CCN1C(=O)OCc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17CC(=O)CCN14.c18ccccc1.C27=O.C34=O.CC5.O25.O36.C68 |
1924741 | O=C1NCCNC1Cc1ccccc1C(F)(F)F | [O][=C][N][C][C][N][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | O=C1NCCNC12.c13ccccc14.C4(F)(F)F.C23 |
1924742 | O=C1NCCNC1Cc1ccccc1OC(F)(F)F | [O][=C][N][C][C][N][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F] | O=C1NCCNC13.c14ccccc12.O2C(F)(F)F.C34 |
1924743 | O=C1NCCNC1Cc1cccc(OC(F)(F)F)c1 | [O][=C][N][C][C][N][C][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] | O=C1NCCNC13.c14cccc2c1.O2C(F)(F)F.C34 |
1924744 | O=C1NCCNC1Cc1ccc(OC(F)(F)F)cc1 | [O][=C][N][C][C][N][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | O=C1NCCNC13.c14ccc2cc1.O2C(F)(F)F.C34 |
1924745 | O=C1NCCNC1Cc1c(Cl)cccc1Cl | [O][=C][N][C][C][N][C][Ring1][=Branch1][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | c13c(Cl)cccc1Cl.O=C1NCCNC12.C23 |
1924746 | COc1cccc(CC2NCCNC2=O)c1OC | [C][O][C][=C][C][=C][C][Branch1][O][C][C][N][C][C][N][C][Ring1][=Branch1][=O][=C][Ring1][=C][O][C] | c13cccc6c14.C15NCCNC1=O.CO3.C56.O4C |
1924747 | COc1ccc(CC2NCCNC2=O)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][O][C][C][N][C][C][N][C][Ring1][=Branch1][=O][C][Branch1][Ring1][O][C][=C][Ring1][S] | c13ccc6c4c1.C15NCCNC1=O.CO3.C56.O4C |
1924748 | COc1ccc(OC)c(CC2NCCNC2=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][O][C][C][N][C][C][N][C][Ring1][=Branch1][=O][=C][Ring1][S] | c13ccc4c6c1.C15NCCNC1=O.CO3.O4C.C56 |
1924749 | COc1ccc(CC2NCCNC2=O)cc1OC | [C][O][C][=C][C][=C][Branch1][O][C][C][N][C][C][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][O][C] | c13ccc6cc14.C15NCCNC1=O.CO3.C56.O4C |
1924750 | COc1ccc(CC2NCCNC2=O)c(OC)c1OC | [C][O][C][=C][C][=C][Branch1][O][C][C][N][C][C][N][C][Ring1][=Branch1][=O][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] | c13ccc7c4c15.C16NCCNC1=O.CO3.C67.O4C.O5C |
1924751 | COc1cc(OC)c(OC)cc1CC1NCCNC1=O | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][N][C][C][N][C][Ring1][=Branch1][=O] | c12cc3c4cc16.C15NCCNC1=O.CO2.O3C.O4C.C56 |
1924752 | COc1cc(CC2NCCNC2=O)cc(OC)c1OC | [C][O][C][=C][C][Branch1][O][C][C][N][C][C][N][C][Ring1][=Branch1][=O][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] | c13cc7cc4c15.C16NCCNC1=O.CO3.C67.O4C.O5C |
1924753 | CCOC(=O)c1nc(-c2ccc(C)cc2OC)cs1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][=C][S][Ring1][=C] | c17ccc(C)cc15.c16nc7cs1.C36=O.CC4.O34.O5C |
1924754 | CCOC(=O)c1nc(-c2ccc(C)c(OC)c2)cs1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][=C][S][Ring1][=C] | c17ccc(C)c5c1.c16nc7cs1.C36=O.CC4.O34.O5C |
1924755 | CCOC(=O)c1nc(-c2ccc(Br)c(OC)c2)cs1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][C][Br][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][=C][S][Ring1][=C] | c17ccc(Br)c5c1.c16nc7cs1.C36=O.CC4.O34.O5C |
1924756 | CCOC(=O)c1nc(-c2cc(C)cc(C)c2)cs1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=C][S][Ring1][=N] | c16cc(C)cc(C)c1.c15nc6cs1.C35=O.CC4.O34 |
1924757 | CCOC(=O)c1nc(-c2cc(C)cc(F)c2)cs1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][S][Ring1][=N] | c16cc(C)cc(F)c1.c15nc6cs1.C35=O.CC4.O34 |
1924758 | CCOC(=O)c1nc(-c2cc(F)cc(Br)c2)cs1 | [C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Br][=C][Ring1][Branch2][=C][S][Ring1][=N] | c16cc(F)cc(Br)c1.c15nc6cs1.C35=O.CC4.O34 |
1924759 | CC(C)(C)OC(=O)N1CCNCC1c1cccnc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | N13CCNCC15.c15cccnc1.CC4(C)C.C23=O.O24 |
1924760 | CCOC(=O)Cc1nc2cc(Br)ccc2o1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] | c15nc2cc(Br)ccc2o1.C3(=O)C5.CC4.O34 |
1924762 | O=C1NCCNC1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | [O][=C][N][C][C][N][C][Ring1][=Branch1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] | c13cc4cc5c1.O=C1NCCNC12.C4(F)(F)F.C5(F)(F)F.C23 |
1924763 | CCOC(=O)c1ccc2cc(Br)ccc2n1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=N][Ring1][O] | c15ccc2cc(Br)ccc2n1.C35=O.CC4.O34 |
1924764 | CCOC(=O)c1ccc2ccc(Br)cc2n1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=N][Ring1][O] | c15ccc2ccc(Br)cc2n1.C35=O.CC4.O34 |
1924765 | CCOC(=O)Cc1ccc2ccc(Br)cc2n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=N][Ring1][O] | c15ccc2ccc(Br)cc2n1.C3(=O)C5.CC4.O34 |
1924766 | CC(C)(C)OC(=O)N1CCCC(n2cccn2)C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][Ring1][O] | N14CCCC6C1.n16cccn1.CC5(C)C.C34=O.O35 |
1924767 | Brc1ccc2c(c1)CCNC21COC1 | [Br][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1][C][O][C][Ring1][Ring2] | Brc1ccc2c(c1)CCNC21COC1 |
1924768 | Cc1nn(-c2ccccc2)nc1C(=O)c1c(C)nn(C)c1O | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][O] | c14c(C)nn(C)c1O.Cc1nn5nc13.c15ccccc1.C34=O |
1924769 | CC(C)(C)OC(=O)N1Cc2cccc(Cl)c2C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][#Branch2] | N14Cc2cccc(Cl)c2C1.CC5(C)C.C34=O.O35 |
1924770 | CC(C)(C)OC(=O)N1Cc2cccc(C(F)(F)F)c2C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring1][=N] | N14Cc2cccc6c2C1.CC5(C)C.C6(F)(F)F.C34=O.O35 |
1924771 | COc1cnc(-c2ccccn2)nc1Nc1ccc2cn[nH]c2c1 | [C][O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][N][N][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2] | c15ccc2cn[nH]c2c1.c13cnc6nc14.c16ccccn1.CO3.N45 |
1924774 | COC(=O)c1cnc2ccc(Br)cc2c1 | [C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=C][Ring1][O] | c14cnc2ccc(Br)cc2c1.C34=O.CO3 |
1924775 | CCOc1ccc2ccc(Br)cc2n1 | [C][C][O][C][=C][C][=C][C][=C][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=N][Ring1][O] | c14ccc2ccc(Br)cc2n1.CC3.O34 |
1924776 | FC(F)(F)c1c[nH]c2nccc(Br)c12 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][NH1][C][=N][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch2][Ring1][#Branch1] | c13c[nH]c2nccc(Br)c12.FC3(F)F |
1924777 | CCOc1cnc2ccc(Br)cc2c1 | [C][C][O][C][=C][N][=C][C][=C][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=C][Ring1][O] | c14cnc2ccc(Br)cc2c1.CC3.O34 |
1924779 | CC(C)(C)OC(=O)N1CCN(c2cccc3c2NCCC3)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Ring1][=Branch1][C][C][Ring1][S] | c17cccc2c1NCCC2.N15CCN7CC1.CC6(C)C.C45=O.O46 |
1924780 | N#CCC1=CN=C2C=CC(OCc3ccccc3)=CC12 | [N][#C][C][C][=C][N][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][P][Ring1][=C] | N#CCC1=CN=C2C=CC(O4)=CC12.c15ccccc1.C45 |
1924781 | NC(=O)CC1=CN=C2C=CC(OCc3ccccc3)=CC12 | [N][C][=Branch1][C][=O][C][C][=C][N][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][P][Ring1][=C] | NC(=O)CC1=CN=C2C=CC(O4)=CC12.c15ccccc1.C45 |
1924782 | CCOC1C(O)C(CO)OC1n1ccc(=O)[nH]c1=O | [C][C][O][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][C][Ring1][Branch2][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | C13C5OC4C1O.n15ccc(=O)[nH]c1=O.CC2.O23.C4O |
1924783 | Cc1cc(=O)oc2cc(OC3C(O)C(O)C(O)C(O)C3O)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C] | Cc1cc(=O)oc2cc5ccc12.C14C(O)C(O)C(O)C(O)C1O.O45 |
1924784 | CCOC(=O)Cn1cc2c(n1)C(NC(=O)OC(C)(C)C)CCC2 | [C][C][O][C][=Branch1][C][=O][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][#C] | n18cc2c(n1)C(N5)CCC2.C3(=O)C8.C7(C)(C)C.C45=O.CC6.O36.O47 |
1924785 | OCCNCc1nc(-c2cccc(Br)c2)cs1 | [O][C][C][N][C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][S][Ring1][N] | c16cccc(Br)c1.c15nc6cs1.OCC3.N34.C45 |
1924786 | COC(=O)c1cnc2c(F)cc(C)cc2c1Cl | [C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][F][=C][C][Branch1][C][C][=C][C][Ring1][Branch2][=C][Ring1][N][Cl] | c14cnc2c(F)cc(C)cc2c1Cl.C34=O.CO3 |
1924787 | CCOC(=O)c1nc2c(OC)cccc2c(F)c1C | [C][C][O][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][Branch1][C][F][=C][Ring1][=N][C] | c16nc2c5cccc2c(F)c1C.C36=O.CC4.O34.O5C |
1924788 | O=C1OC2CC1(O)CC1OC3(CCCCC3)OC21 | [O][=C][O][C][C][C][Ring1][Branch1][Branch1][C][O][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][Ring1][#C][Ring1][#Branch2] | O=C1OC2CC1(O)CC1OC3(CCCCC3)OC21 |
1924789 | OCCC1=CN=C2C=CC(OCc3ccccc3)=CC12 | [O][C][C][C][=C][N][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][P][Ring1][=C] | OCCC1=CN=C2C=CC(O4)=CC12.c15ccccc1.C45 |
1924790 | COC(=O)c1cnc2cc(Br)ccc2c1 | [C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | c14cnc2cc(Br)ccc2c1.C34=O.CO3 |
1924791 | CCOC(=O)C1CCC(=O)c2c(F)cc(F)cc21 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring1][=N] | C3(=O)C1CCC(=O)c2c(F)cc(F)cc21.CC4.O34 |
1924792 | O=C1Cn2ncnc2-c2cc(Br)ccc2N1 | [O][=C][C][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][Ring1][#C] | O=C1Cn2ncnc2-c2cc(Br)ccc2N1 |
1924793 | CC(C)(C)OC(=O)N1CCOc2ncccc2C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | N14CCOc2ncccc2C1.CC5(C)C.C34=O.O35 |
1924794 | CCOc1ccc2c(n1)OCCN(C(=O)OC(C)(C)C)C2 | [C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C] | c17ccc2c(n1)OCCN4C2.C6(C)(C)C.C34=O.CC5.O57.O36 |
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