ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1934619 | Cc1noc(C)c1CNC(=O)NC(C1CCCC1)C(F)(F)F | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F] | Cc1noc(C)c17.C56C(F)(F)F.C16CCCC1.C23=O.C47.N24.N35 |
1934620 | O=c1c(F)cn(C2CCCO2)c(=O)n1CC(O)C(F)(F)F | [O][=C][C][Branch1][C][F][=C][N][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][=N][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] | O=c1c(F)cn4c(=O)n13.C3C(O)C(F)(F)F.C14CCCO1 |
1934621 | COc1cccc(C(C)N2CCN(CC(O)C(F)(F)F)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][Branch1][C][C][N][C][C][N][Branch1][=C][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=N][=C][Ring2][Ring1][Branch1] | c13cccc6c1.N14CCN5CC1.C5C(O)C(F)(F)F.C46C.CO3 |
1934622 | CCC(Oc1ccc(NC(=O)C2CCCCC2)cc1)C(N)=O | [C][C][C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][Branch1][C][N][=O] | c15ccc6cc1.CCC4C(N)=O.C17CCCCC1.C37=O.O45.N36 |
1934624 | CN(C(=O)Cc1cccc(O)c1)c1nc2ccccc2n1C | [C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c14nc2ccccc2n1C.c15cccc(O)c1.C3(=O)C5.CN34 |
1934625 | OC(CN1CCN(Cc2nc3ccccc3s2)CC1)C(F)(F)F | [O][C][Branch2][Ring1][#Branch2][C][N][C][C][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][S][C][Branch1][C][F][Branch1][C][F][F] | c16nc2ccccc2s1.OC(C4)C(F)(F)F.N14CCN5CC1.C56 |
1934626 | COCCCn1ccc(NC2Cc3ccccc3C2)n1 | [C][O][C][C][C][N][C][=C][C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=N][Ring1][#C] | C16Cc2ccccc2C1.n17ccc5n1.C4CC7.CO4.N56 |
1934627 | COc1cccc(-c2cc(NC(=O)N3CCC(C)CC3)n(C)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][Branch1][C][C][N][=Ring1][S][=C][Ring2][Ring1][=Branch1] | c16cccc8c1.c18cc7n(C)n1.N15CCC(C)CC1.C45=O.CO6.N47 |
1934628 | Cc1ccc(-c2n[nH]cc2CNc2nnc(-c3ccncc3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Branch2] | Cc1ccc7cc1.c17n[nH]cc16.c15nnc8o1.c18ccncc1.C46.N45 |
1934629 | CNC(=O)c1ccc(CNC(=O)Cc2c(Cl)cccc2OC)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][Ring2] | c19c5cccc1Cl.c17ccc8cc1.C4(=O)C9.C37=O.CN3.C68.N46.O5C |
1934630 | COc1cccc(Cl)c1CC(=O)N(C)Cc1nc(C)cs1 | [C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1] | c13cccc(Cl)c16.c15nc(C)cs1.C6C2=O.N24C.CO3.C45 |
1934631 | O=C(Nc1cnc(-c2ccccc2)nc1)NC1CCOC(C2CC2)C1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][N][C][C][C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2] | c15cnc8nc1.C16CCOC7C1.c18ccccc1.O=C34.C17CC1.N35.N46 |
1934633 | COc1cccc(Cl)c1CC(=O)NCC(C)(C)N1CCOCC1 | [C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1] | c13cccc(Cl)c16.N15CCOCC1.C4C5(C)C.C6C2=O.CO3.N24 |
1934634 | CC(c1ccsc1)N1CCN(C(=O)NCCC(=O)N(C)C)CC1 | [C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][S] | N15CCN2CC1.c17ccsc1.C6CC4=O.CC57.C23=O.N4(C)C.N36 |
1934635 | CC(c1ccsc1)N1CCN(C(=O)NC2CCN(C)C2=O)CC1 | [C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O][C][C][Ring1][S] | N15CCN3CC1.C16CCN(C)C1=O.c17ccsc1.CC57.C34=O.N46 |
1934636 | Cc1nscc1C(=O)N1CCN(C(C)c2ccsc2)CC1 | [C][C][=N][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.Cc1nscc15.c16ccsc1.C35=O.C46C |
1934637 | CC(C)OCCNC(=O)N1CCN(C(C)c2ccsc2)CC1 | [C][C][Branch1][C][C][O][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N] | N14CCN8CC1.c19ccsc1.CC5C.C6C7.C34=O.C89C.O56.N37 |
1934639 | CC(c1ccsc1)N1CCN(C(=O)C2CC=CC2)CC1 | [C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Ring1][Branch1][C][C][Ring1][=N] | N14CCN3CC1.c16ccsc1.C15CC=CC1.CC46.C35=O |
1934640 | Cc1ccn(-c2ccccc2NC(=O)NC2CCOC(C3CC3)C2)n1 | [C][C][C][=C][N][Branch2][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][N][=Ring2][Ring1][Branch2] | c18ccccc16.C17CCOC9C1.Cc1ccn8n1.C45=O.C19CC1.N46.N57 |
1934641 | COc1ccc(C)nc1NC(=O)N(C)Cc1cc(Cl)cn1C | [C][O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][N][Ring1][=Branch1][C] | c14ccc(C)nc16.c17cc(Cl)cn1C.C23=O.N35C.CO4.N26.C57 |
1934642 | COc1ccc(C)nc1NC(=O)NCc1nc(C2CC2)cs1 | [C][O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][S][Ring1][Branch2] | c15ccc(C)nc17.c18nc9cs1.C34=O.C19CC1.CO5.N37.N46.C68 |
1934643 | Cc1cccc(NC(=O)NCCC(=O)N2CCCCCC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | Cc1cccc7n1.N15CCCCCC1.C6CC5=O.C34=O.N37.N46 |
1934645 | Cc1cc(C)nc(NC(=O)NC(C)c2nnc3ccccn23)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c18nnc2ccccn12.Cc1cc7nc(C)c1.C45=O.C68C.N47.N56 |
1934647 | Cc1cc(C)nc(NC(=O)NCCc2sc(C)nc2C)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1cc6nc(C)c1.c17sc(C)nc1C.C34=O.C5C7.N36.N45 |
1934648 | Cc1cc(C)nc(NC(=O)N2CCN(Cc3ccon3)CC2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][=C][O][N][=Ring1][Branch1][C][C][Ring1][N][=C][Ring2][Ring1][=Branch1] | Cc1cc7nc(C)c1.N15CCN6CC1.c18ccon1.C45=O.N47.C68 |
1934649 | COc1ccc(C)nc1NC(=O)Nc1c(C)n[nH]c1C | [C][O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | c14ccc(C)nc15.c16c(C)n[nH]c1C.C23=O.CO4.N25.N36 |
1934650 | CCn1cc(NC(=O)Nc2nc(C)ccc2OC)cn1 | [C][C][N][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=N][Ring2][Ring1][C] | c16nc(C)ccc15.n18cc7cn1.C34=O.CC8.N37.N46.O5C |
1934651 | COc1ccc(C)nc1NC(=O)Nc1cnn(C(C)(C)C)c1 | [C][O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2] | c14ccc(C)nc15.c16cnn7c1.C7(C)(C)C.C23=O.CO4.N25.N36 |
1934652 | Cc1cccc(NC(=O)NCc2cccc(N3CCCC3=O)c2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][=N][Ring2][Ring1][#Branch1] | Cc1cccc7n1.c18cccc9c1.N19CCCC1=O.C45=O.N47.N56.C68 |
1934653 | Cc1cc(C)nc(NC(=O)N(Cc2ccncc2)C2CC2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch1] | Cc1cc6nc(C)c1.c18ccncc1.C34=O.N457.C17CC1.N36.C58 |
1934654 | Cc1cccc(NC(=O)N2CCC(OCCC(C)C)C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][O][C][C][C][Branch1][C][C][C][C][Ring1][O][=N][Ring2][Ring1][Ring2] | Cc1cccc7n1.N14CCC6C1.C5CC(C)C.C34=O.N37.O56 |
1934655 | Cc1cc(C)nc(NC(=O)NC2CC(=O)N(C(C)(C)C)C2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | Cc1cc5nc(C)c1.C16CC(=O)N7C1.C7(C)(C)C.C34=O.N35.N46 |
1934656 | Cn1cc(NC(=O)Nc2cccc(OCC(F)F)n2)cn1 | [C][N][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=N][Ring1][O][C][=N][Ring2][Ring1][Ring2] | c17cccc6n1.Cn1cc8cn1.C5C(F)F.C34=O.N38.N47.O56 |
1934657 | O=C(Nc1cnn(-c2ccccn2)c1)NC1CCOC(C2CC2)C1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][O][N][C][C][C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2] | C16CCOC8C1.c15cnn7c1.c17ccccn1.O=C34.C18CC1.N35.N46 |
1934658 | COc1cccc(Cl)c1CC(=O)N(C)C1CCCc2c1cnn2C | [C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C] | N3(C)C1CCCc2c1cnn2C.c14cccc(Cl)c15.C5C3=O.CO4 |
1934659 | Cc1cnc(C(=O)NCC(C)(O)c2ccccc2Cl)cn1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][Ring2][Ring1][Ring2] | Cc1cnc5cn1.c16ccccc1Cl.C4C6(C)O.C35=O.N34 |
1934660 | CC(O)(CNC(=O)CCC1CCOC1)c1ccccc1Cl | [C][C][Branch1][C][O][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.CC5(O)C3.C2(=O)CC4.C14CCOC1.N23 |
1934661 | Cn1cn[nH]c1=NC(=O)c1cccc(-n2cnnn2)c1 | [C][N][C][=N][NH1][C][Ring1][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O] | Cn1cn[nH]c1=NC3=O.c13cccc4c1.n14cnnn1 |
1934662 | C[S+]([O-])c1ccc(CN2CCOc3ccccc32)cc1 | [C][S+1][Branch1][C][O-1][C][=C][C][=C][Branch1][S][C][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring1][P] | N14CCOc2ccccc21.C[S+]([O-])c1ccc5cc1.C45 |
1934663 | CC(c1ccsc1)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 | [C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][S] | N14CCN2CC1.C3(=O)C(C)(C)C.c16ccsc1.C2(=O)C5.CC46.N35 |
1934664 | C#CCCCCC(=O)N1CCN(C(C)c2ccsc2)CC1 | [C][#C][C][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=N] | C#CCCCCC3=O.N13CCN4CC1.c15ccsc1.C45C |
1934665 | COc1cccc(Cl)c1CC(=O)NC(c1nccc(C)n1)C1CC1 | [C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][C][Ring1][Ring1] | c13cccc(Cl)c17.c15nccc(C)n1.C7C2=O.C456.C16CC1.CO3.N24 |
1934666 | COc1cccc(Cl)c1CC(=O)NC1CCCC1(C)CO | [C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][Branch1][C][C][C][O] | c13cccc(Cl)c16.C14CCCC15C.C6C2=O.CO3.N24.C5O |
1934667 | O=C(NCCc1nc(-c2ccccc2)n[nH]1)C1CC1C1CC1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1] | c16nc7n[nH]1.c17ccccc1.C15CC1C1CC1.O=C35.C4C6.N34 |
1934668 | Cn1cccc1C1COCCN1C(=O)c1ccn(C2CCCC2)n1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][=Ring1][#Branch2] | C16COCCN13.Cn1cccc16.c14ccn5n1.C15CCCC1.C34=O |
1934669 | Cn1cn[nH]c1=NC(=O)CCC(=O)c1ccc(F)cc1 | [C][N][C][=N][NH1][C][Ring1][Branch1][=N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cn1cn[nH]c1=NC(=O)CCC2=O.c12ccc(F)cc1 |
1934670 | Cn1cccc1C1COCCN1C(=O)c1ccc(-n2ccnc2)nc1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][N][=C][Ring1][O] | C16COCCN13.c14ccc5nc1.Cn1cccc16.n15ccnc1.C34=O |
1934671 | Cc1cc(C)n(CC(=O)N2CCOCC2c2cccn2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n4n1.N13CCOCC15.c15cccn1C.C4C3=O |
1934672 | COc1ccsc1C(=O)N1CCOCC1c1cccn1C | [C][O][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C] | N12CCOCC15.c13ccsc14.c15cccn1C.C24=O.CO3 |
1934673 | CC(=O)c1csc(C(=O)N2CCOCC2c2cccn2C)c1 | [C][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | N13CCOCC16.c15csc4c1.c16cccn1C.CC5=O.C34=O |
1934674 | Cc1ccsc1C(=O)N1CCOCC1c1cccn1C | [C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C] | N12CCOCC14.Cc1ccsc13.c14cccn1C.C23=O |
1934676 | Cc1ccc(C(=O)N2CCOCC2c2cccn2C)s1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C][S][Ring2][Ring1][Ring1] | N13CCOCC15.Cc1ccc4s1.c15cccn1C.C34=O |
1934677 | CCC(=O)N1CCN(c2ccnc(Cc3ccccc3)n2)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][C][C][Ring2][Ring1][Ring1] | N14CCN5CC1.c15ccnc6n1.c17ccccc1.CCC4=O.C67 |
1934678 | CCN(C(C)c1cc2ccccc2o1)S(=O)(=O)CC1(C#N)CC1 | [C][C][N][Branch2][Ring1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1] | c16cc2ccccc2o1.S5(=O)(=O)C7.C17(C#N)CC1.N345.C46C.CC3 |
1934679 | Cc1nc(NC(=O)NCCc2ccccn2)ccc1Br | [C][C][=N][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][Br] | Cc1nc6ccc1Br.c17ccccn1.C34=O.C5C7.N36.N45 |
1934680 | FC(F)(F)C1CCC(Nc2cnn(CCN3CCOCC3)c2)CC1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][C][Branch2][Ring1][Branch1][N][C][C][=N][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][=N][C][C][Ring2][Ring1][Ring2] | C18CCC6CC1.c15cnn7c1.N14CCOCC1.FC8(F)F.C7C4.N56 |
1934681 | N#Cc1ncn(CC(=O)c2c[nH]c3ccccc23)c1C#N | [N][#C][C][N][=C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Ring1][P][C][#N] | N#Cc1ncn5c1C#N.c14c[nH]c2ccccc12.C5C4=O |
1934682 | N#Cc1ncn(CC(=O)c2cnc(N3CCCCC3)s2)c1C#N | [N][#C][C][N][=C][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O][C][=Ring2][Ring1][Ring1][C][#N] | N#Cc1ncn6c1C#N.c15cnc4s1.N14CCCCC1.C6C5=O |
1934684 | COc1cccc(C2CC2C(=O)Nc2cnccn2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | c14cccc7c1.c15cnccn1.C17CC16.C36=O.CO4.N35 |
1934685 | O=C(Nc1cnccn1)C1CC1c1ccc(F)c(F)c1 | [O][=C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c15ccc(F)c(F)c1.c13cnccn1.C14CC15.O=C24.N23 |
1934686 | CC(C)CCn1cc(C(=O)Nc2cnccn2)nn1 | [C][C][Branch1][C][C][C][C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][N][=N][Ring1][=C] | n16cc5nn1.c14cnccn1.CC(C)CC6.C35=O.N34 |
1934687 | COc1ccc(CC(C)C(=O)Nc2cnccn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c14ccc6cc1.C6C(C)C3=O.c15cnccn1.CO4.N35 |
1934688 | Cc1cc(C)cc(CCC(=O)Nc2cnccn2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][C][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cc5cc(C)c1.c14cnccn1.C5CC3=O.N34 |
1934689 | O=C(Nc1cnccn1)c1ccc(C(=O)NC2CC2)cc1 | [O][=C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N] | c17ccc8cc1.c15cnccn1.O=C37.C48=O.C16CC1.N35.N46 |
1934691 | O=C(CCc1ccc2[nH]ccc2c1)Nc1cnccn1 | [O][=C][Branch1][S][C][C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | c15ccc2[nH]ccc2c1.c14cnccn1.O=C3CC5.N34 |
1934692 | O=C(Nc1cnccn1)c1cccc(-n2ccnn2)c1 | [O][=C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O] | c15cccc6c1.c14cnccn1.n16ccnn1.O=C35.N34 |
1934693 | Cc1nc(-c2ccccc2)oc1C(=O)Nc1cnccn1 | [C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | Cc1nc6oc15.c16ccccc1.c14cnccn1.C35=O.N34 |
1934694 | N#Cc1ncn(Cc2noc(C3CCCCC3)n2)c1C#N | [N][#C][C][N][=C][N][Branch2][Ring1][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O][C][=Ring1][P][C][#N] | N#Cc1ncn4c1C#N.c15noc6n1.C16CCCCC1.C45 |
1934696 | O=C(CCc1cccc(F)c1F)Nc1cnccn1 | [O][=C][Branch1][#C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14cccc(F)c1F.c13cnccn1.O=C2CC4.N23 |
1934698 | C#CCN1CCC(C(=O)NCC2CCCc3cc(OC)ccc32)CC1 | [C][#C][C][N][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring1][N][C][C][Ring2][Ring1][=Branch1] | C7C1CCCc2cc5ccc21.N16CCC8CC1.C#CC6.C48=O.N47.O5C |
1934699 | O=S(=O)(c1c(F)cccc1Cl)N1CCC(O)(C(F)(F)F)C1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2] | O=S2(=O)c1c(F)cccc1Cl.N12CCC3(O)C1.C3(F)(F)F |
1934700 | CC(C)n1cccc1C(=O)NC(C(N)=O)c1ccc(F)cc1 | [C][C][Branch1][C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.n15cccc14.C36C(N)=O.CC5C.C24=O.N23 |
1934701 | CCN1CC(COC(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1=O | [C][C][N][C][C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1][=O] | N16CC7CC1=O.c18ccc(F)cc1.c15c[nH]nc18.C35=O.CC6.C47.O34 |
1934702 | CCCn1cnnc1COC(=O)c1c[nH]nc1-c1c(F)cccc1F | [C][C][C][N][C][=N][N][=C][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c17c(F)cccc1F.n15cnnc16.c14c[nH]nc17.CCC5.C24=O.C36.O23 |
1934703 | Cc1nnnn1C(Cc1cccc(F)c1)C(=O)NCC(C)O | [C][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O] | c15cccc(F)c1.Cc1nnnn14.C4(C5)C2=O.C3C(C)O.N23 |
1934704 | Cc1nnnn1C(Cc1ccc(F)cc1)C(=O)NC(C)CO | [C][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O] | c15ccc(F)cc1.Cc1nnnn14.C4(C5)C2=O.C3(C)CO.N23 |
1934705 | Cc1nnnn1C(Cc1cccc(F)c1)C(=O)NC(C)CO | [C][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O] | c15cccc(F)c1.Cc1nnnn14.C4(C5)C2=O.C3(C)CO.N23 |
1934706 | CSc1ccc(C(=O)Nc2ccccc2-n2cccn2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | c17ccc5cc1.c14ccccc16.n16cccn1.C35=O.CS7.N34 |
1934707 | CN1CCN(C(=O)C2CCCN2C(=O)CN2CCCCC2=O)CC1 | [C][N][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][#Branch1] | CN1CCN3CC1.N16CCCCC1=O.C15CCCN14.C4(=O)C6.C35=O |
1934708 | Cc1cc(C)n(-c2cccc(NC(=O)CN3CCCCC3=O)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][=C][Ring1][P][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n7n1.c17cccc5c1.N16CCCCC1=O.C4(=O)C6.N45 |
1934709 | Cc1ccc(F)cc1C(=O)N1CCCc2c(C(N)=O)cccc21 | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Ring1][=Branch2][Ring1][=N] | N13CCCc2c5cccc21.Cc1ccc(F)cc14.C34=O.C5(N)=O |
1934710 | CSc1ccc(C(=O)N2CCCc3c(C(N)=O)cccc32)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Ring1][=Branch2][Ring1][=N][C][=C][Ring2][Ring1][Branch1] | N14CCCc2c6cccc21.c17ccc5cc1.C45=O.C6(N)=O.CS7 |
1934711 | COc1ccc(C(=O)N2CCCc3c(C(N)=O)cccc32)c(F)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Ring1][=Branch2][Ring1][=N][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1] | N14CCCc2c7cccc21.c15ccc6c(F)c1.C46=O.C7(N)=O.CO5 |
1934712 | COC(=O)CN(C(=O)c1cc(C)nc2cc(F)ccc12)C(C)C | [C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][N][Ring1][#Branch1][C][Branch1][C][C][C] | c17cc(C)nc2cc(F)ccc12.C3(=O)C5.N456.C47=O.C6(C)C.CO3 |
1934713 | COC(=O)CN(C(=O)Cc1csc(-c2ccc(C)o2)n1)C(C)C | [C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][O][C][Branch1][C][C][C] | c17csc8n1.c18ccc(C)o1.C3(=O)C5.C4(=O)C7.N456.C6(C)C.CO3 |
1934714 | COC(=O)CN(C(=O)c1ccc2cc(OC)ccc2n1)C(C)C | [C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=N][Ring1][N][C][Branch1][C][C][C] | c18ccc2cc5ccc2n1.C3(=O)C6.N467.C48=O.C7(C)C.CO3.O5C |
1934715 | COC(=O)CN(C(=O)c1cc2cc(C)ccc2nc1C)C(C)C | [C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C][C][Branch1][C][C][C] | c17cc2cc(C)ccc2nc1C.C3(=O)C5.N456.C47=O.C6(C)C.CO3 |
1934716 | COC(=O)CN(C(=O)c1ccnc2ccccc12)C(C)C | [C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][C][C] | c17ccnc2ccccc12.C3(=O)C5.N456.C47=O.C6(C)C.CO3 |
1934718 | COC(=O)CN(C(=O)c1csc(-c2ccc(C)o2)n1)C(C)C | [C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][S][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][O][C][Branch1][C][C][C] | c17csc8n1.c18ccc(C)o1.C3(=O)C5.N456.C47=O.C6(C)C.CO3 |
1934719 | COC(=O)CN(C(=O)c1sc(-c2ccc(C)o2)nc1C)C(C)C | [C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][C][=Ring1][O][C][C][Branch1][C][C][C] | c17sc8nc1C.c18ccc(C)o1.C3(=O)C5.N456.C47=O.C6(C)C.CO3 |
1934720 | COC(=O)CN(C(=O)Cc1c(C)nc2ccccc2c1C)C(C)C | [C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][C][C][Branch1][C][C][C] | c17c(C)nc2ccccc2c1C.C3(=O)C5.C4(=O)C7.N456.C6(C)C.CO3 |
1934722 | Cc1noc(CCC(=O)Nc2ccc(-n3nccn3)cc2)n1 | [C][C][=N][O][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][N][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][Branch1] | c15ccc7cc1.Cc1noc6n1.C6CC4=O.n17nccn1.N45 |
1934723 | CC(C)CN(CC(F)(F)F)C(=O)C1CCN(C(=O)C2CC2)CC1 | [C][C][Branch1][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | C17CCN4CC1.C6C(F)(F)F.CC(C)C5.N356.C37=O.C48=O.C18CC1 |
1934724 | COc1cc(C)c(C(C)NC(=O)CN2CCCCC2=O)cc1OC | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc(C)c8cc15.N17CCCCC1=O.C3(=O)C7.C68C.CO4.N36.O5C |
1934726 | CC(=O)c1cc(C(=O)NCc2ccc(F)cc2C(F)(F)F)n(C)c1 | [C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][C][C][C][=Ring2][Ring1][Branch1] | c17ccc(F)cc18.c16cc5n(C)c1.C8(F)(F)F.CC6=O.C35=O.N34.C47 |
1934727 | O=C(CN1CCCCC1=O)NCc1ccc(F)cc1C(F)(F)F | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15ccc(F)cc16.N14CCCCC1=O.O=C2C4.C6(F)(F)F.N23.C35 |
1934728 | COc1ccccc1CNc1c(C#N)cnc2ccccc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c15c(C#N)cnc2ccccc12.c13ccccc16.CO3.C46.N45 |
1934729 | COc1ccc(CNc2c(C#N)cnc3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c16c(C#N)cnc2ccccc12.c14ccc7cc1.CO4.C57.N56 |
1934730 | COc1cc2c(cc1OC)CN(c1c(C#N)cnc3ccccc13)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch2][Ring1][Ring1][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] | c14cc2c(cc15)CN6CC2.c16c(C#N)cnc2ccccc12.CO4.O5C |
1934731 | COc1ccc(CNc2c(C#N)cnc3ccccc23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c17c(C#N)cnc2ccccc12.c14ccc8cc15.CO4.C68.N67.O5C |
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