ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1928607 | CCn1nc(-c2ccc(C)cc2-n2cccn2)nc1N(C)C | [C][C][N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=C][C][=N][Ring1][Branch1][N][=C][Ring1][P][N][Branch1][C][C][C] | c16ccc(C)cc15.n14nc6nc13.n15cccn1.N3(C)C.CC4 |
1928608 | COc1ccc(NC(=O)N2CCCC(OCc3cccnc3)C2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][C][=N][Ring2][Ring1][#Branch1] | c17ccc9cn1.N15CCCC8C1.c1%10cccnc1.C45=O.CO7.N49.O68.C6%10 |
1928609 | CC(C)(C)c1csc(CNC(=O)Nc2cccnc2F)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][F][=N][Ring1][P] | c16cccnc1F.c17csc8n1.CC7(C)C.C34=O.C58.N35.N46 |
1928610 | COCC1CCCC12CN(C(=O)c1ccncc1F)CCO2 | [C][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][C][O][Ring1][#C] | C16CCCC12CN3CCO2.c15ccncc1F.C35=O.CO4.C46 |
1928611 | Cc1nn(C)c2nc(N3Cc4cnn(CCO)c4C3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][C][N][C][C][C][=N][N][Branch1][Ring2][C][C][O][C][=Ring1][Branch2][C][Ring1][O][S][C][Ring2][Ring1][Ring2][=Ring1][S] | Cc1nn(C)c2nc5sc12.N15Cc2cnn6c2C1.C6CO |
1928612 | CCOCC1CCCC12CN(C(=O)c1ccc(OC)cc1)CCO2 | [C][C][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][O][Ring1][S] | C18CCCC12CN3CCO2.c17ccc6cc1.C37=O.CC4.O45.C58.O6C |
1928613 | Cc1nc(-c2cccnc2)ncc1-c1nc(C2CCOC2)no1 | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2] | Cc1nc4ncc15.c14cccnc1.c15nc3no1.C13CCOC1 |
1928614 | CCN(Cc1noc(CC(C)C)n1)c1nc2c(s1)c(C)nn2C | [C][C][N][Branch1][P][C][C][=N][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C] | c15nc2c(s1)c(C)nn2C.c16noc7n1.C7C(C)C.N345.CC3.C46 |
1928615 | Nc1cc(N2CCCN(c3ccc(F)cc3)CC2)ncn1 | [N][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=N][C][=N][Ring2][Ring1][Ring2] | N14CCCN5CC1.Nc1cc4ncn1.c15ccc(F)cc1 |
1928616 | CC(=O)N1CCC2(CC1)CN(C(=O)c1ccco1)c1ccc(C)cc12 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] | N13CCC2(CC1)CN4c1ccc(C)cc12.c15ccco1.CC3=O.C45=O |
1928617 | Cc1ccc2c(c1)C1(CCN(C(N)=O)CC1)CN2C(=O)c1ccco1 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][N][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1ccc2c(c1)C1(CCN3CC1)CN24.c15ccco1.C3(N)=O.C45=O |
1928618 | CC(=O)N1CCC2(CC1)CN(C(=O)c1ccco1)c1ccc(F)cc12 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] | N13CCC2(CC1)CN4c1ccc(F)cc12.c15ccco1.CC3=O.C45=O |
1928619 | NC(=O)N1CCC2(CC1)CN(C(=O)c1ccco1)c1ccc(F)cc12 | [N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] | N13CCC2(CC1)CN4c1ccc(F)cc12.c15ccco1.NC3=O.C45=O |
1928620 | O=C(c1ccoc1)N1CCC2(C=Cc3ccccc32)CC1 | [O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring1][=C] | N14CCC2(C=Cc3ccccc32)CC1.c15ccoc1.O=C45 |
1928623 | Cc1cc(-c2cccc3ncccc23)c(=O)[nH]c1C | [C][C][C][=C][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring1][P][C] | c14cccc2ncccc12.Cc1cc4c(=O)[nH]c1C |
1928624 | O=C(CC(F)(F)F)N1CCC2(C1)C(=O)NCC2c1ccccc1 | [O][=C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCC2(C1)C(=O)NCC24.O=C3CC(F)(F)F.c14ccccc1 |
1928626 | CN(C)S(=O)(=O)N1CCC2(C1)C(=O)NCC2c1ccccc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CN(C)S(=O)(=O)N1CCC2(C1)C(=O)NCC23.c13ccccc1 |
1928627 | CN1CC(c2ccccc2)C2(CCN(C(=O)C3CCOC3)C2)C1=O | [C][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][Ring1][N][C][Ring2][Ring1][=Branch1][=O] | CN1CC6C2(CCN4C2)C1=O.c16ccccc1.C15CCOC1.C45=O |
1928628 | CCCCn1nc(CC(N)=O)nc1-c1cnc2c(O)cccn2c1=O | [C][C][C][C][N][N][=C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][=C][Ring1][=Branch2][C][=C][N][=C][C][Branch1][C][O][=C][C][=C][N][Ring1][#Branch1][C][Ring1][O][=O] | c15cnc2c(O)cccn2c1=O.n13nc4nc15.CCCC3.C4C(N)=O |
1928629 | CCc1nnc(CN(CC)C(=O)Nc2ccc3c(c2)CC(C)O3)o1 | [C][C][C][=N][N][=C][Branch2][Ring1][=C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1][O][Ring2][Ring1][=Branch1] | c18ccc2c(c1)CC(C)O2.c19nnc%10o1.N467.C45=O.CC9.C6%10.C7C.N58 |
1928630 | CCCn1ncnc1-c1cccc(-n2cccn2)c1 | [C][C][C][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][O] | c15cccc4c1.n13ncnc15.n14cccn1.CCC3 |
1928632 | O=C(c1cscn1)N1CC2CN(c3ncc(F)cn3)CC2C1 | [O][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][N][C][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][N][C][Ring1][#C] | N14CC2CN5CC2C1.c15ncc(F)cn1.c16cscn1.O=C46 |
1928633 | CCc1cnc(N2CC3CN(C(=O)c4cscn4)CC3C2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][C][Ring1][N][C][Ring1][#C][N][=C][Ring2][Ring1][Branch1] | N16CC2CN5CC2C1.c18cnc6nc1.c17cscn1.C57=O.CC8 |
1928634 | CCc1c(C)nn(CC(=O)NC2COCC2Cc2cc(C)no2)c1C | [C][C][C][C][Branch1][C][C][=N][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][Branch1][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][=Ring2][Ring1][=Branch1][C] | c18c(C)nn5c1C.C14COCC17.c16cc(C)no1.C5C3=O.CC8.N34.C67 |
1928635 | O=C(Nc1ccccc1C1CC1)NC1(CN2CCOCC2)CCCC1 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][N][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][Ring1][N] | c17ccccc19.C158CCCC1.N16CCOCC1.O=C34.C19CC1.N37.N45.C68 |
1928636 | CCC(=O)N1CC(NC(=O)c2cnccn2)CC1C(=O)N(CC)CC | [C][C][C][=Branch1][C][=O][N][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C] | N13CC8CC19.c1%10cnccn1.CCC3=O.C4%10=O.C59=O.N567.N48.C6C.C7C |
1928637 | Cc1c(NC(=O)NCc2ccncn2)cccc1C(=O)NCC(C)C | [C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=N][Ring1][=Branch1][C][=C][C][=C][Ring1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C] | Cc1c8cccc19.c1%10ccncn1.C7C(C)C.C34=O.C59=O.N38.N46.C6%10.N57 |
1928638 | COc1ccc(C(N)=O)cc1-c1ccc2c(c1)OCO2 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c13ccc4cc15.C4(N)=O.CO3 |
1928639 | Cc1cc(NC(=O)N2CCC(Cc3nc(C)no3)CC2)n(C(C)C)n1 | [C][C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][Ring1][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][N][=Ring2][Ring1][Branch2] | Cc1cc6n7n1.N15CCC9CC1.c18nc(C)no1.C45=O.C7(C)C.N46.C89 |
1928640 | O=C(NCCc1nccs1)C1CCOc2ccccc2C1 | [O][=C][Branch1][O][N][C][C][C][=N][C][=C][S][Ring1][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | C15CCOc2ccccc2C1.c16nccs1.O=C35.C4C6.N34 |
1928641 | CC(C)(C)NS(=O)(=O)c1ccccc1-c1cnn2cccnc12 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1] | S4(=O)(=O)c1ccccc15.c15cnn2cccnc12.CC3(C)C.N34 |
1928642 | Cc1nn(C)c2nc(N3CCN(Cc4ccco4)CC3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][S][C][Ring2][Ring1][Branch1][=Ring1][P] | Cc1nn(C)c2nc6sc12.N16CCN5CC1.c17ccco1.C57 |
1928643 | CCCCn1nc(C2CCOCC2)nc1C1CCCO1 | [C][C][C][C][N][N][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][O][C][C][C][C][O][Ring1][Branch1] | n13nc5nc14.C15CCOCC1.C14CCCO1.CCCC3 |
1928644 | CCCOC1CCCN(C(=O)Nc2cc(-c3ccccc3)nn2C)C1 | [C][C][C][O][C][C][C][C][N][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][C][Ring2][Ring1][Branch1] | C17CCCN4C1.c18cc9nn1C.c19ccccc1.CCC6.C45=O.O67.N58 |
1928645 | CN(Cc1noc(C2CCCC2)n1)C(=O)Nc1ccc2cn[nH]c2c1 | [C][N][Branch2][Ring1][C][C][C][=N][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2] | c16ccc2cn[nH]c2c1.c17noc8n1.C18CCCC1.CN35.C34=O.C57.N46 |
1928646 | Cc1cc(C)n(-c2cc(Cl)ccc2-c2n[nH]c(CO)n2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=N][NH1][C][Branch1][Ring1][C][O][=N][Ring1][#Branch1][N][=Ring2][Ring1][Ring2] | c14cc(Cl)ccc15.Cc1cc(C)n4n1.c15n[nH]c3n1.C3O |
1928647 | COc1nccnc1N1CCc2nnc(Cc3cccnc3)n2CC1 | [C][O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][N][C][C][Ring1][P] | N15CCc2nnc6n2CC1.c14nccnc15.c17cccnc1.CO4.C67 |
1928648 | CCN(CCn1cccn1)C(=O)Nc1ccc(C)nc1 | [C][C][N][Branch1][#Branch2][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1] | c16ccc(C)nc1.n17cccn1.N245.C5C7.C23=O.CC4.N36 |
1928649 | COCCN(Cc1cnn(C)c1)C(=O)Nc1ccc2c(c1)COC2=O | [C][O][C][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O] | c18ccc2c(c1)COC2=O.c19cnn(C)c1.C5C6.N367.C34=O.CO5.C79.N48 |
1928650 | CCN(CC)C(=O)c1cccc(-c2ccc(C(N)=O)s2)c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][Ring1][Branch2][=C][Ring1][=C] | c17cccc8c1.c18ccc6s1.N345.C37=O.C6(N)=O.CC4.C5C |
1928651 | CC(C)Sc1ccccc1NC(=O)NC1CCC1 | [C][C][Branch1][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2] | c17ccccc15.C16CCC1.CC4C.C23=O.S47.N25.N36 |
1928652 | Cc1ccccc1N1CCCN(c2cc(N)ncn2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][N][C][=C][C][Branch1][C][N][=N][C][=N][Ring1][#Branch1][C][C][Ring1][=C] | N14CCCN3CC1.Cc1ccccc14.c13cc(N)ncn1 |
1928653 | COCCN1C(=O)C2CCC1CN(C(=O)c1cc(C(C)C)on1)C2 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][N][=Ring1][Branch2][C][Ring1][P] | N16C(=O)C2CCC1CN3C2.c15cc7on1.C4C6.C35=O.C7(C)C.CO4 |
1928654 | COCCN1CC(CNC(=O)Nc2ccc3nc(C)[nH]c3c2)CC1=O | [C][O][C][C][N][C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][C][C][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2][=O] | c18ccc2nc(C)[nH]c2c1.N19CC%10CC1=O.C6C9.C45=O.CO6.C7%10.N47.N58 |
1928655 | Cc1ccc(OCC(N)=O)c(-c2ccncc2F)c1 | [C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][C] | Cc1ccc4c5c1.c15ccncc1F.C3C(N)=O.O34 |
1928656 | Cc1ocnc1C(=O)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 | [C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][NH1][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][C][=Ring1][=N][C][Ring1][P] | N14CCc2[nH]c6nc2C1.c16ccc(F)cc1F.Cc1ocnc15.C45=O |
1928657 | CC1(O)CCN(C(=O)COc2ccc(F)cc2)CC1O | [C][C][Branch1][C][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][O] | CC1(O)CCN3CC1O.c15ccc(F)cc1.C3(=O)C4.O45 |
1928658 | Cc1nn(C)c(C)c1NC(=O)N1Cc2ccccc2C1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | N14Cc2ccccc2C1.Cc1nn(C)c(C)c15.C34=O.N35 |
1928659 | Cc1nn(C)c2nc(NCCC(=O)N3CCCC3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch1][#C][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][C][Ring2][Ring1][Ring1][=Ring1][#C] | Cc1nn(C)c2nc6sc12.C5CC4=O.N14CCCC1.N56 |
1928660 | Cc1nn(C)c2nc(Nc3ncc(F)cc3F)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch1][=C][N][C][=N][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][S][C][Ring2][Ring1][C][=Ring1][=C] | Cc1nn(C)c2nc4sc12.c15ncc(F)cc1F.N45 |
1928661 | CCOc1cccnc1Nc1nc2c(s1)c(C)nn2C | [C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C] | c16nc2c(s1)c(C)nn2C.c14cccnc15.CC3.O34.N56 |
1928662 | CCCCNC(=O)c1cccc(-c2cnc3c(C(N)=O)cnn3c2)c1 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][N][Ring1][Branch2][C][=Ring1][N][=C][Ring2][Ring1][C] | c18cnc2c7cnn2c1.c16cccc8c1.CCCC5.C46=O.C7(N)=O.N45 |
1928663 | COc1cccc(-c2cc(C)c(C)[nH]c2=O)c1OC | [C][O][C][=C][C][=C][C][Branch1][S][C][=C][C][Branch1][C][C][=C][Branch1][C][C][NH1][C][Ring1][Branch2][=O][=C][Ring1][#C][O][C] | c15cc(C)c(C)[nH]c1=O.c13cccc5c14.CO3.O4C |
1928664 | Cc1ccc(OCC(N)=O)c(-c2cccc(C(=O)NC3CC3)c2)c1 | [C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring1][N][=C][Ring2][Ring1][#Branch1] | Cc1ccc6c9c1.c19cccc8c1.C5C(N)=O.C48=O.C17CC1.O56.N47 |
1928665 | c1cncc(-c2ccnc(NCC3OCCc4ccccc43)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][N][C][=C][C][=N][C][Branch1][P][N][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | C5C1OCCc2ccccc21.c17ccnc6n1.c1cncc7c1.N56 |
1928666 | Cc1cc(C(=O)NCC(CO)Cc2ccco2)c2ccccc2n1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | Cc1cc5c2ccccc2n1.C4C(C6)CO.c16ccco1.C35=O.N34 |
1928668 | Cc1ccc(C)c(-n2nc(CC(N)=O)nc2C2CCC(=O)NC2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][N][N][=C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][=C][Ring1][=Branch2][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1] | Cc1ccc(C)c4c1.n14nc3nc15.C15CCC(=O)NC1.C3C(N)=O |
1928669 | CCn1nc(C(C)C)cc1-c1nc(CCOC)no1 | [C][C][N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][Branch2][C][=N][C][Branch1][Branch1][C][C][O][C][=N][O][Ring1][=Branch2] | n13nc4cc16.c16nc5no1.C4(C)C.C5C2.CC3.O2C |
1928670 | Cc1nn(C)c2nc(NC3COCC3N3CCOCC3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch1][P][N][C][C][O][C][C][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1][S][C][Ring2][Ring1][Branch1][=Ring1][P] | Cc1nn(C)c2nc4sc12.C15COCC16.N16CCOCC1.N45 |
1928671 | Cc1noc(C)c1CN(C)C(=O)CN1C(=O)OCC1c1ccccc1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1noc(C)c15.N14C(=O)OCC16.c16ccccc1.C2(=O)C4.N23C.C35 |
1928672 | Cc1cc(C(=O)N2CCC(C)(O)C(O)C2)cc(=O)[nH]1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] | N13CCC(C)(O)C(O)C1.Cc1cc4cc(=O)[nH]1.C34=O |
1928673 | Cc1nn(CCNC(=O)Nc2ccc3c(c2)COC3)c(C)c1Cl | [C][C][=N][N][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][Cl] | c17ccc2c(c1)COC2.Cc1nn8c(C)c1Cl.C8C6.C45=O.N46.N57 |
1928675 | O=C(NCCCn1nccc1C1CC1)Nc1ccc2nn[nH]c2c1 | [O][=C][Branch1][P][N][C][C][C][N][N][=C][C][=C][Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][=C][C][=C][N][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2] | c16ccc2nn[nH]c2c1.n17nccc18.C5CC7.O=C34.C18CC1.N35.N46 |
1928676 | CCCCn1nc(Cn2cncn2)nc1Cn1cc2ccccc2n1 | [C][C][C][C][N][N][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][=C][Ring1][O][C][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2] | n15cc2ccccc2n1.n13nc6nc17.n14cncn1.CCCC3.C46.C57 |
1928677 | O=C1CC(c2nc(-c3cn4ccccc4n3)no2)CN1C1CC1 | [O][=C][C][C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=N][O][Ring1][=C][C][N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] | c16cn2ccccc2n1.O=C1CC7CN15.c17nc6no1.C15CC1 |
1928678 | CCc1ccccc1OC1CN(c2cc(C(=O)NC3CC3)ccn2)C1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][Branch2][Ring1][Branch1][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][C][=N][Ring1][N][C][Ring1][S] | c1%10ccccc16.c17cc9ccn1.C15CN7C1.C49=O.C18CC1.CC%10.O56.N48 |
1928679 | Cn1c(-c2nc(-c3cn4ccccc4n3)no2)cc(=O)n(C)c1=O | [C][N][C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=N][O][Ring1][=C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c5cc(=O)n(C)c1=O.c16cn2ccccc2n1.c15nc6no1 |
1928680 | Cc1cnc(-n2cnnc2)c(-c2cncc(N)c2)c1 | [C][C][=C][N][=C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][Branch1][N][C][=C][N][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | Cc1cnc3c4c1.c14cncc(N)c1.n13cnnc1 |
1928682 | COCCc1noc(-c2cc(CC(C)C)nn2C)n1 | [C][O][C][C][C][=N][O][C][Branch1][P][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][=Branch2][C][=N][Ring1][#C] | c16cc5nn1C.c14noc6n1.C5C(C)C.C3C4.CO3 |
1928683 | Cc1cnccc1-c1ccc(CNS(C)(=O)=O)cc1 | [C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N] | Cc1cnccc15.c15ccc4cc1.S3(C)(=O)=O.C24.N23 |
1928684 | Cc1ccc(CN(C)c2nccc(-c3cccnc3)n2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][O][Ring2][Ring1][Ring2] | c15nccc7n1.Cc1ccc6o1.c17cccnc1.N45C.C46 |
1928685 | COCc1[nH]nc(C)c1-c1ccc(C)c2ncccc12 | [C][O][C][C][NH1][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15ccc(C)c2ncccc12.c14[nH]nc(C)c15.CO3.C34 |
1928686 | CCCn1ncnc1-c1cc(OC)ncc1Cl | [C][C][C][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=N][C][=C][Ring1][Branch2][Cl] | c14cc2ncc1Cl.n13ncnc14.CCC3.O2C |
1928687 | COc1ccc(-c2ccncc2N)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][N][=C][Ring1][P][Ring1][=Branch1] | c13ccc4c2cccnc12.c14ccncc1N.CO3 |
1928688 | Cn1nccc1-c1cccc(-c2ccccc2CO)c1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=C][Ring1][=C] | c14cccc5c1.c15ccccc13.Cn1nccc14.C3O |
1928690 | COC(C)c1cccc(-c2cnc3c(C#N)cnn3c2)c1 | [C][O][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][C][C][C][=N][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][#Branch1][C][=Ring1][O][=C][Ring1][P] | c16cnc2c(C#N)cnn2c1.c15cccc6c1.C45C.CO4 |
1928691 | Cc1cc(-c2ccc(-n3cccn3)cc2)c(=O)[nH]c1C | [C][C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][C][C] | Cc1cc5c(=O)[nH]c1C.c15ccc4cc1.n14cccn1 |
1928692 | c1ccc(-c2ccnc(NCc3ccc4c(c3)CCCO4)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][C][N][=C][Ring2][Ring1][Branch2] | c17ccc2c(c1)CCCO2.c18ccnc6n1.c1ccc8nc1.N56.C57 |
1928693 | Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC(C)(O)C(O)C1 | [C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2] | Cc1cc(=O)c2ccccc2n14.N13CCC(C)(O)C(O)C1.C4C3=O |
1928694 | CSc1ncccc1-c1nc(C2CCOC2)no1 | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2] | c13ncccc15.c15nc4no1.C14CCOC1.CS3 |
1928695 | COCCSc1nnc(Nc2nc3c(s2)c(C)nn3C)s1 | [C][O][C][C][S][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][S][Ring1][S] | c17nc2c(s1)c(C)nn2C.c18nnc6s1.C4C5.CO4.S58.N67 |
1928696 | CCCCn1nccc1NC(=O)NC(C)c1n[nH]c(C)n1 | [C][C][C][C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][NH1][C][Branch1][C][C][=N][Ring1][=Branch1] | n16nccc15.c17n[nH]c(C)n1.CCCC6.C23=O.C47C.N25.N34 |
1928697 | COCCc1nnc(Nc2nc3c(s2)c(C)nn3C)s1 | [C][O][C][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][S][Ring1][S] | c16nc2c(s1)c(C)nn2C.c17nnc5s1.C4C7.CO4.N56 |
1928698 | CCCCn1nc(C)nc1C1CC(=O)N(CCOC)C1 | [C][C][C][C][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][O][C][C][Ring1][#Branch2] | n13nc(C)nc15.C15CC(=O)N4C1.CCCC3.C4C2.O2C |
1928699 | CNC(=O)c1ccc(-c2ccc(OC)cc2-n2nc(C)cc2C)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch1] | c17ccc4cc16.c15ccc7cc1.n16nc(C)cc1C.C35=O.CN3.O4C |
1928700 | O=C(NCCC1CC2C=CC1C2)Nc1cccc(-n2cncn2)c1 | [O][=C][Branch1][#C][N][C][C][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O] | C17CC2C=CC1C2.c16cccc8c1.n18cncn1.O=C34.C5C7.N35.N46 |
1928701 | Cc1cc(-c2ccc(CC(=O)N(C)C)cc2)ccn1 | [C][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][=C][C][=N][Ring2][Ring1][C] | Cc1cc5ccn1.c15ccc4cc1.C4C3=O.N3(C)C |
1928702 | CCCN1CC(NC(=O)c2cnc(C)cn2)CC1C(=O)N(CC)CC | [C][C][C][N][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][C][Ring1][#C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C] | N15CC8CC19.c1%10cnc(C)cn1.CCC5.C3%10=O.C49=O.N467.N38.C6C.C7C |
1928703 | CCCSc1ccccc1NC(=O)N(C)C(C)c1ccncn1 | [C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=N][C][=N][Ring1][=Branch1] | c18ccccc16.c17ccncn1.CCC5.C23=O.N34C.C47C.S58.N26 |
1928704 | c1cncc(-c2ccnc(NCc3nnc4ccccn34)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][#Branch2][C][=C][C][=N][C][Branch1][S][N][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=N][Ring1][P][=C][Ring2][Ring1][#Branch1] | c17nnc2ccccn12.c18ccnc6n1.c1cncc8c1.N56.C57 |
1928706 | c1cc(-c2ccnc(NCc3nc4c(s3)CCCC4)n2)ccn1 | [C][=C][C][Branch2][Ring1][=N][C][=C][C][=N][C][Branch2][Ring1][C][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring1][P][=C][C][=N][Ring2][Ring1][#Branch1] | c17nc2c(s1)CCCC2.c18ccnc6n1.c1cc8ccn1.N56.C57 |
1928708 | Cc1cc(-c2ccc(C(N)=O)c(Cl)c2)c(=O)[nH]c1C | [C][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Ring1][P][C] | Cc1cc4c(=O)[nH]c1C.c14ccc3c(Cl)c1.C3(N)=O |
1928709 | CC(C)c1cc(-c2nc(C3CCOC3)no2)nc2ncnn12 | [C][C][Branch1][C][C][C][=C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][=N][C][=N][C][=N][N][Ring2][Ring1][Ring1][Ring1][Branch1] | c14cc5nc2ncnn12.c15nc6no1.C16CCOC1.CC4C |
1928710 | c1cncc(-c2ccnc(NCCCn3ncc4ccccc43)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=C][C][=C][C][=N][C][Branch2][Ring1][C][N][C][C][C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] | n17ncc2ccccc21.c18ccnc6n1.c1cncc8c1.C5CC7.N56 |
1928711 | CC(C)n1cc(NC(=O)N2CCc3sccc3C2)nn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][N][=N][Ring1][P] | N15CCc2sccc2C1.n17cc6nn1.CC7C.C45=O.N46 |
1928712 | COCc1ccc(C(=O)N2CCCC2COC)o1 | [C][O][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O][C][O][Ring1][#C] | c18ccc6o1.N13CCCC17.C36=O.CO4.C48.C57.O5C |
1928714 | N#Cc1ccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)cn1 | [N][#C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][O][C][=N][Ring2][Ring1][Ring2] | N#Cc1ccc6cn1.N15CCC7CC1.c17cc[nH]n1.C45=O.N46 |
1928715 | COCCOc1ccc(-c2ccnc(OC)c2C#N)cc1 | [C][O][C][C][O][C][=C][C][=C][Branch1][#C][C][=C][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][#N][C][=C][Ring1][S] | c17ccnc5c1C#N.c16ccc7cc1.C3C4.CO3.O46.O5C |
1928716 | c1cnn(-c2ccc(-c3nc(C4CCOC4)no3)cc2)c1 | [C][C][=N][N][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][Ring1][S][C][=Ring2][Ring1][Branch1] | c15ccc7cc1.c17nc6no1.c1cnn5c1.C16CCOC1 |
1928717 | COc1ccc(NC(=O)NCc2csc(N(C)C)n2)c(OC)n1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][Branch2][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][Branch1] | c15ccc9c6n1.c1%10csc8n1.C34=O.N8(C)C.CO5.N39.N47.C7%10.O6C |
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