ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1933490 | CCc1nnc2n1CC(NC(=O)c1cccc3cccnc13)CC2 | [C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c17nnc2n1CC5CC2.c16cccc2cccnc12.C46=O.CC7.N45 |
1933491 | Cc1nnc2n1CC(NC(=O)c1cnn3cccnc13)CC2 | [C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C] | Cc1nnc2n1CC5CC2.c16cnn2cccnc12.C46=O.N45 |
1933492 | CCc1nnc2n1CC(NC(=O)Cn1nnc3ccccc31)CC2 | [C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] | c17nnc2n1CC5CC2.n16nnc2ccccc21.C4(=O)C6.CC7.N45 |
1933493 | CCc1nnc2n1CC(NC(=O)c1c(C)nn3cccnc13)CC2 | [C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c17nnc2n1CC5CC2.c16c(C)nn2cccnc12.C46=O.CC7.N45 |
1933494 | Cc1nnc2n1CC(Nc1c(C#N)c(=O)n(C)c(=O)n1C)CC2 | [C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][Branch2][N][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][Ring2][Ring1][Ring1] | c13c(C#N)c(=O)n(C)c(=O)n1C.Cc1nnc2n1CC4CC2.N34 |
1933495 | CCc1nnc2n1CC(Nc1nc3ccccc3s1)CC2 | [C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][S] | c16nnc2n1CC5CC2.c14nc2ccccc2s1.CC6.N45 |
1933496 | CC(C)c1nnc2n1CC(Nc1c(C#N)c(=O)n(C)c(=O)n1C)CC2 | [C][C][Branch1][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch2][Ring1][Branch2][N][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][Ring2][Ring1][Ring1] | c13c(C#N)c(=O)n(C)c(=O)n1C.c15nnc2n1CC4CC2.CC5C.N34 |
1933497 | Cc1csc(C2CN(C(C)C(=O)NCc3ccco3)CCO2)n1 | [C][C][=C][S][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][O][Ring1][P][=N][Ring2][Ring1][=Branch1] | C18CN5CCO1.Cc1csc8n1.C5(C)C4=O.c17ccco1.N46.C67 |
1933498 | CC(CC#N)N1CCOC(c2nc(C(C)(C)C)cs2)C1 | [C][C][Branch1][Ring2][C][C][#N][N][C][C][O][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2][C][Ring1][#C] | N13CCOC5C1.c15nc4cs1.CC3CC#N.C4(C)(C)C |
1933499 | C=CC(C)N1CCOC(c2nc(C(C)(C)C)cs2)C1 | [C][=C][C][Branch1][C][C][N][C][C][O][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2][C][Ring1][#C] | N13CCOC5C1.c15nc4cs1.C=CC3C.C4(C)(C)C |
1933500 | Cc1csc(C2CN(CC(C#N)CCC#N)CCO2)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch1][C][C][N][Branch1][O][C][C][Branch1][Ring1][C][#N][C][C][C][#N][C][C][O][Ring1][=C][=N][Ring2][Ring1][Ring1] | C3C(C#N)CCC#N.C14CN3CCO1.Cc1csc4n1 |
1933501 | CCCCn1nnnc1CN1CCOC(c2nc(C)cs2)C1 | [C][C][C][C][N][N][=N][N][=C][Ring1][Branch1][C][N][C][C][O][C][Branch1][O][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][Ring1][N] | N13CCOC6C1.n14nnnc15.c16nc(C)cs1.CCCC4.C35 |
1933502 | Cc1csc(C2CN(CCCc3ccccc3)CCO2)n1 | [C][C][=C][S][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][#C][=N][Ring2][Ring1][Ring2] | C16CN4CCO1.Cc1csc6n1.c15ccccc1.C4CC5 |
1933503 | OCCn1ncc2c(N3CCN(Cc4ccncc4)CC3)ncnc21 | [O][C][C][N][N][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][=C][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | n17ncc2c6ncnc21.N16CCN5CC1.c18ccncc1.OCC7.C58 |
1933504 | N#CCCn1ncc2c(N3CCCC3c3ccc[nH]3)ncnc21 | [N][#C][C][C][N][N][=C][C][=C][Branch1][#C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][NH1][Ring1][Branch1][N][=C][N][=C][Ring1][S][Ring2][Ring1][Ring1] | n15ncc2c4ncnc21.N14CCCC16.c16ccc[nH]1.N#CCC5 |
1933505 | Fc1ccc(-c2cnc(CN3CCOC(c4nccs4)C3)o2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][=N][C][=C][N][=C][Branch2][Ring1][Ring1][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | Fc1ccc8cc1.N15CCOC7C1.c18cnc6o1.c17nccs1.C56 |
1933506 | NC(=O)C1CCCN(C(=O)CN2CCOC(c3nccs3)C2)C1 | [N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][C][Ring2][Ring1][Ring2] | C16CCCN4C1.N15CCOC7C1.c17nccs1.C4(=O)C5.NC6=O |
1933507 | CC(=O)NCCNC(=O)CN1CCOC(c2nccs2)C1 | [C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O] | N17CCOC8C1.c18nccs1.C4(=O)C7.CC3=O.C5C6.N35.N46 |
1933508 | c1ccc(-n2nnnc2CN2CCOC(c3nccs3)C2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=N][N][=C][Ring1][Branch1][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | N14CCOC7C1.c1ccc6cc1.n16nnnc15.c17nccs1.C45 |
1933510 | Clc1cc(CN2CCOC(c3nccs3)C2)cc2c1OCO2 | [Cl][C][=C][C][Branch2][Ring1][Ring1][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][=C][C][=C][Ring2][Ring1][C][O][C][O][Ring1][Branch1] | Clc1cc5cc2c1OCO2.N14CCOC6C1.c16nccs1.C45 |
1933511 | CN(CCc1ccncc1)c1ncnc2c1cnn2CCO | [C][N][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][O] | c14ncnc2c1cnn25.c16ccncc1.CN34.C3C6.C5CO |
1933512 | CN(CCc1ccncc1)c1ncnc2c1cnn2CCC#N | [C][N][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][#N] | c14ncnc2c1cnn25.c16ccncc1.C5CC#N.CN34.C3C6 |
1933513 | c1csc(C2CN(Cc3nc(C4CC4)no3)CCO2)n1 | [C][=C][S][C][Branch2][Ring1][#Branch2][C][C][N][Branch1][S][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][C][O][Ring1][#C][=N][Ring2][Ring1][Ring2] | C17CN5CCO1.c16nc8no1.c1csc7n1.C18CC1.C56 |
1933514 | O=c1oc2ccccc2n1CCN1CCOC(c2nccs2)C1 | [O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O] | O=c1oc2ccccc2n14.N13CCOC5C1.c15nccs1.C4C3 |
1933515 | Cc1ccc(-c2nnc(CN3CCOC(c4nccs4)C3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc8cc1.N15CCOC7C1.c18nnc6o1.c17nccs1.C56 |
1933516 | OCCn1ncc2c(NCC3COc4ccccc4C3)ncnc21 | [O][C][C][N][N][=C][C][=C][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][=C][N][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | n17ncc2c6ncnc21.C18COc2ccccc2C1.OCC7.N56.C58 |
1933517 | N#CCCn1ncc2c(NCC3COc4ccccc4C3)ncnc21 | [N][#C][C][C][N][N][=C][C][=C][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][=C][N][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | n17ncc2c6ncnc21.C18COc2ccccc2C1.N#CCC7.N56.C58 |
1933518 | OCCn1ncc2c(N3CCOC(c4ccccc4)C3)ncnc21 | [O][C][C][N][N][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][N][=C][N][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | n16ncc2c5ncnc21.N15CCOC7C1.c17ccccc1.OCC6 |
1933519 | N#CCCn1ncc2c(N3CCOC(c4ccccc4)C3)ncnc21 | [N][#C][C][C][N][N][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][N][=C][N][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | n16ncc2c5ncnc21.N15CCOC7C1.c17ccccc1.N#CCC6 |
1933520 | CC(c1nnnn1-c1ccccc1)N1CCOC(c2nccs2)C1 | [C][C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O] | N13CCOC6C1.c14nnnn15.c15ccccc1.c16nccs1.CC34 |
1933521 | CS(=O)(=O)NCCCN1CCOC(c2nccs2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O] | N14CCOC6C1.c16nccs1.CS5(=O)=O.C3CC4.N35 |
1933522 | CC(c1nc(C2CC2)no1)N1CCOC(c2nccs2)C1 | [C][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O] | N13CCOC5C1.c14nc6no1.c15nccs1.CC34.C16CC1 |
1933524 | N#CCCN(CCC#N)C(=O)CN1CCOC(c2nccs2)C1 | [N][#C][C][C][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O] | N16CCOC7C1.c17nccs1.N#CCC4.C5CC#N.C3(=O)C6.N345 |
1933525 | OCCn1ncc2c(NCc3ccccc3N3CCCC3)ncnc21 | [O][C][C][N][N][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | n17ncc2c5ncnc21.c18ccccc16.N16CCCC1.OCC7.N45.C48 |
1933526 | N#CCCn1ncc2c(NCc3ccccc3N3CCCC3)ncnc21 | [N][#C][C][C][N][N][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | n17ncc2c5ncnc21.c18ccccc16.N16CCCC1.N#CCC7.N45.C48 |
1933527 | N#CCCC(C#N)CN1CCOC(c2nccs2)C1 | [N][#C][C][C][C][Branch1][Ring1][C][#N][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O] | N#CCCC(C#N)C3.N13CCOC4C1.c14nccs1 |
1933528 | CN(c1ncnc2c1cnn2CCO)C1CCc2ccccc21 | [C][N][Branch1][P][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | CN3C1CCc2ccccc21.c13ncnc2c1cnn24.C4CO |
1933529 | CC1CCCCC1OCCNc1ncnc2c1cnn2CCC#N | [C][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][#N] | c16ncnc2c1cnn27.CC1CCCCC14.C7CC#N.C3C5.O34.N56 |
1933530 | OCCn1ncc2c(NCCNc3cnccn3)ncnc21 | [O][C][C][N][N][=C][C][=C][Branch1][=N][N][C][C][N][C][=C][N][=C][C][=N][Ring1][=Branch1][N][=C][N][=C][Ring1][S][Ring2][Ring1][Ring1] | n18ncc2c6ncnc21.c17cnccn1.OCC8.C4C5.N46.N57 |
1933531 | OCCn1ncc2c(NC3CCc4ccccc43)ncnc21 | [O][C][C][N][N][=C][C][=C][Branch1][#C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][=C][N][=C][Ring1][S][Ring2][Ring1][Ring1] | n16ncc2c5ncnc21.N5C1CCc2ccccc21.OCC6 |
1933532 | Cc1cc(CN(C)c2ncnc3c2cnn3CCO)no1 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][O][=N][O][Ring2][Ring1][Ring2] | c15ncnc2c1cnn26.Cc1cc7no1.N45C.C6CO.C47 |
1933534 | Cc1cc2ncn(-c3ncnc4c3cnn4CCO)c2cc1C | [C][C][=C][C][N][=C][N][Branch1][P][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][O][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][C] | Cc1cc2ncn6c2cc1C.c16ncnc2c1cnn25.C5CO |
1933535 | Cc1cc2ncn(-c3ncnc4c3cnn4CCC#N)c2cc1C | [C][C][=C][C][N][=C][N][Branch2][Ring1][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][#N][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][C] | Cc1cc2ncn6c2cc1C.c16ncnc2c1cnn25.C5CC#N |
1933536 | OCCn1ncc2c(N3CCOC(c4ccc(F)cc4)C3)ncnc21 | [O][C][C][N][N][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][N][=C][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | n16ncc2c5ncnc21.N15CCOC7C1.c17ccc(F)cc1.OCC6 |
1933537 | OCCn1ncc2c(NCC3CCOC3)ncnc21 | [O][C][C][N][N][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][O][C][Ring1][Branch1][N][=C][N][=C][Ring1][=N][Ring1][S] | n16ncc2c5ncnc21.C17CCOC1.OCC6.N45.C47 |
1933538 | O=c1[nH]c2ccccc2nc1CN(Cc1ccccc1)Cc1ccco1 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | O=c1[nH]c2ccccc2nc16.c18ccccc1.c17ccco1.N345.C36.C48.C57 |
1933539 | C=CCN(Cc1cccs1)Cc1nc2ccccc2[nH]c1=O | [C][=C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O] | c17nc2ccccc2[nH]c1=O.c16cccs1.C=CC3.N345.C46.C57 |
1933540 | CCN(Cc1cccs1)Cc1nc2ccccc2[nH]c1=O | [C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O] | c17nc2ccccc2[nH]c1=O.c16cccs1.N345.CC3.C46.C57 |
1933541 | CC(c1cccs1)N(C)Cc1nc2ccccc2[nH]c1=O | [C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O] | c16nc2ccccc2[nH]c1=O.c15cccs1.CC35.N34C.C46 |
1933542 | CC(c1cccs1)N(C)Cc1nc2ccccc2n(C)c1=O | [C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][O][=O] | c16nc2ccccc2n(C)c1=O.c15cccs1.CC35.N34C.C46 |
1933543 | CCCn1nnnc1CN1CCc2ncnc(OC)c2C1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][C][N][C][C][C][=N][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][N] | N14CCc2ncnc3c2C1.n15nnnc16.CCC5.C46.O3C |
1933544 | COc1ncnc2c1CN(CC(=O)Nc1sccc1C(N)=O)CC2 | [C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][S][C][=C][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][Ring2][Ring1][C] | c14ncnc2c1CN5CC2.c16sccc17.C5C3=O.C7(N)=O.CO4.N36 |
1933546 | CCc1nc(NC(=O)CN2CCc3ncnc(OC)c3C2)sc1C | [C][C][C][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][C][C][C][=N][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][N][S][C][=Ring2][Ring1][Branch1][C] | N16CCc2ncnc5c2C1.c18nc7sc1C.C4(=O)C6.CC8.N47.O5C |
1933547 | COc1ncnc2c1CN(C(C)c1nnnn1-c1ccccc1)CC2 | [C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring2][C][Branch1][C][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c13ncnc2c1CN4CC2.c15nnnn16.c16ccccc1.C45C.CO3 |
1933548 | COc1ncnc2c1CN(C(C)C(=O)Nc1nc(C)c(C)s1)CC2 | [C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][#Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][C][Ring2][Ring1][C] | c14ncnc2c1CN5CC2.c16nc(C)c(C)s1.C5(C)C3=O.CO4.N36 |
1933549 | CCOc1ncnc2c1CN(CC(=O)NCc1cccs1)CC2 | [C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][S] | c15ncnc2c1CN6CC2.c18cccs1.C6C3=O.CC4.O45.N37.C78 |
1933550 | Cc1cc(N2CCC(c3cn[nH]c3)CC2)nc(N)n1 | [C][C][=C][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][C][C][Ring1][O][=N][C][Branch1][C][N][=N][Ring2][Ring1][C] | Cc1cc4nc(N)n1.N14CCC5CC1.c15cn[nH]c1 |
1933551 | c1ccc2c(N3CCC(c4cn[nH]c4)CC3)ncnc2c1 | [C][=C][C][=C][C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][C][C][Ring1][O][=N][C][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c1ccc2c5ncnc2c1.N15CCC6CC1.c16cn[nH]c1 |
1933552 | COc1ncnc2c1CN(CC(=O)NCc1ccco1)CC2 | [C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][S] | c14ncnc2c1CN5CC2.c17ccco1.C5C3=O.CO4.N36.C67 |
1933553 | CCc1nc(CN2CCc3ncnc(N4CCOCC4)c3C2)cs1 | [C][C][C][=N][C][Branch2][Ring1][#Branch2][C][N][C][C][C][=N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][C][Ring1][S][=C][S][Ring2][Ring1][=Branch1] | N15CCc2ncnc6c2C1.c17nc8cs1.N16CCOCC1.CC7.C58 |
1933555 | Cc1cc(N2CCc3ncnc(N(C)C)c3C2)nc(N)n1 | [C][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][=N][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][C][Ring1][=N][=N][C][Branch1][C][N][=N][Ring2][Ring1][Ring2] | N14CCc2ncnc5c2C1.Cc1cc4nc(N)n1.N5(C)C |
1933556 | CCCCn1nnnc1CN1CCc2ncnc(OC)c2C1 | [C][C][C][C][N][N][=N][N][=C][Ring1][Branch1][C][N][C][C][C][=N][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][N] | N14CCc2ncnc3c2C1.n15nnnc16.CCCC5.C46.O3C |
1933557 | COc1ncnc2c1CN(CC(=O)Nc1nc(C)c(C)s1)CC2 | [C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][C][Ring1][P] | c14ncnc2c1CN5CC2.c16nc(C)c(C)s1.C5C3=O.CO4.N36 |
1933558 | Cc1cc(N2CCC(c3cnn(C)c3)CC2)nc(N)n1 | [C][C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch1][C][N][=N][Ring2][Ring1][Ring1] | Cc1cc4nc(N)n1.N14CCC5CC1.c15cnn(C)c1 |
1933559 | Cn1cc(C2CCN(c3ncnc4ccccc34)CC2)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][C][C][N][Branch1][#C][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S][C][=N][Ring2][Ring1][Branch1] | c15ncnc2ccccc12.C16CCN5CC1.Cn1cc6cn1 |
1933560 | CC(CO)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.C15CCCN14.CC3CO.C25=O.N23 |
1933561 | CCOc1ncnc2c1CN(C(C)C(=O)Nc1nccs1)CC2 | [C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch1][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][S] | c15ncnc2c1CN6CC2.C6(C)C3=O.c17nccs1.CC4.O45.N37 |
1933562 | CCOc1ncnc2c1CN(CC(=O)Nc1nccs1)CC2 | [C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][#C] | c15ncnc2c1CN6CC2.c17nccs1.C6C3=O.CC4.O45.N37 |
1933563 | CCOc1ncnc2c1CN(CC(=O)NCCc1cccs1)CC2 | [C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][P] | c15ncnc2c1CN6CC2.c18cccs1.C6C3=O.C7C8.CC4.O45.N37 |
1933564 | COc1ncnc2c1CN(C(C)C(=O)NCc1cccs1)CC2 | [C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][P] | c14ncnc2c1CN5CC2.C5(C)C3=O.c17cccs1.CO4.N36.C67 |
1933565 | CCn1cc(C2CCN(c3cc(C)nc(N)n3)CC2)cn1 | [C][C][N][C][=C][Branch2][Ring1][=Branch2][C][C][C][N][Branch1][#C][C][=C][C][Branch1][C][C][=N][C][Branch1][C][N][=N][Ring1][Branch2][C][C][Ring1][=C][C][=N][Ring2][Ring1][Ring1] | c14cc(C)nc(N)n1.C16CCN4CC1.n15cc6cn1.CC5 |
1933566 | CCn1cc(C2CCN(c3ncnc4ccccc34)CC2)cn1 | [C][C][N][C][=C][Branch2][Ring1][=Branch2][C][C][C][N][Branch1][#C][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S][C][=N][Ring2][Ring1][Branch1] | c15ncnc2ccccc12.C17CCN5CC1.n16cc7cn1.CC6 |
1933567 | COc1ncnc2c1CN(Cc1ncc(-c3ccccc3)o1)CC2 | [C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring1][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][C][Ring2][Ring1][C] | c14ncnc2c1CN5CC2.c16ncc7o1.c17ccccc1.CO4.C56 |
1933568 | CCOc1ncnc2c1CN(CC(=O)Nc1nc(C)c(C)s1)CC2 | [C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][C][Ring1][P] | c15ncnc2c1CN6CC2.c17nc(C)c(C)s1.C6C3=O.CC4.O45.N37 |
1933569 | Cc1ccc(C)n1-c1sccc1C(=O)NC(C)CO | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O] | Cc1ccc(C)n15.c15sccc14.C3(C)CO.C24=O.N23 |
1933571 | COc1ncnc2c1CN(CC(=O)NCc1cccs1)CC2 | [C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][S] | c14ncnc2c1CN5CC2.c17cccs1.C5C3=O.CO4.N36.C67 |
1933572 | CCOc1ncnc2c1CN(Cc1ncc(-c3ccccc3)o1)CC2 | [C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring1][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][C][Ring2][Ring1][C] | c15ncnc2c1CN6CC2.c17ncc8o1.c18ccccc1.CC4.O45.C67 |
1933573 | Cc1cc(-c2cc(C(=O)NC(C)CO)c3c(C)noc3n2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][=C][C][Branch1][C][C][=N][O][C][Ring1][=Branch1][=N][Ring1][P][=C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | c17cc6c2c(C)noc2n1.Cc1cc7c(C)o1.C5(C)CO.C46=O.N45 |
1933574 | CC(CO)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n17c8nc2ccccc21.c15ccccc1.CC6CO.C3(=O)C7.N36.C48.O45 |
1933575 | Cc1nc2cc(F)ccc2cc1C(=O)NC(C)CO | [C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O] | Cc1nc2cc(F)ccc2cc15.C4(C)CO.C35=O.N34 |
1933576 | CC(CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][Cl] | c16cc(S5(=O)=O)ccc1Cl.N15CCCC1.CC4CO.C36=O.N34 |
1933577 | Cc1ccc2nc(C)c(C(=O)NC(C)CO)cc2c1 | [C][C][=C][C][=C][N][=C][Branch1][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][=C][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2nc(C)c5cc2c1.C4(C)CO.C35=O.N34 |
1933578 | CC(CO)NC(=O)c1occc1CSc1ccccc1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15occc16.c17ccccc1.CC3CO.C25=O.N23.C46.S47 |
1933579 | COc1ccc2cc(C(=O)NC(C)CO)c(C)nc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][Branch1][C][C][=N][C][Ring1][=C][=C][Ring2][Ring1][C] | c14ccc2cc6c(C)nc2c1.C5(C)CO.C36=O.CO4.N35 |
1933580 | CC(CO)NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C] | c16ccc(S5(=O)=O)cc1.C3(=O)CC6.N15CCCC1.CC4CO.N34 |
1933581 | CC(CO)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][#C] | n17cnc2ccccc21.c16ccc7cc1.CC5CO.C46=O.N45 |
1933582 | CC(CO)NC(=O)c1ccc(-c2ccc(F)cc2)s1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N] | c16ccc(F)cc1.c15ccc6s1.CC4CO.C35=O.N34 |
1933583 | CC(CO)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cn6nc17.c16ccccc1.c17cccnc1.CC4CO.C35=O.N34 |
1933584 | c1ccc(-c2cnc(CN3CCOC(c4nccs4)C3)o2)cc1 | [C][=C][C][=C][Branch2][Ring1][=N][C][=C][N][=C][Branch2][Ring1][Ring1][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | N15CCOC7C1.c1ccc8cc1.c18cnc6o1.c17nccs1.C56 |
1933586 | O=C(CN1CCOC(c2nccs2)C1)NCCOc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N16CCOC8C1.c15ccccc1.c18nccs1.O=C3C6.C7C4.N37.O45 |
1933587 | CC(CO)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C] | c16cccc(S5(=O)=O)c1.N15CCCC1.CC4CO.C36=O.N34 |
1933588 | c1ccc(-c2nnc(CN3CCOC(c4nccs4)C3)o2)cc1 | [C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | N15CCOC7C1.c1ccc8cc1.c18nnc6o1.c17nccs1.C56 |
1933589 | Fc1ccc(-c2nnc(CN3CCOC(c4nccs4)C3)o2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][O][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | Fc1ccc8cc1.N15CCOC7C1.c18nnc6o1.c17nccs1.C56 |
1933590 | O=C(CN1CCOC(c2nccs2)C1)NCc1ccco1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][C][O][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O][N][C][C][=C][C][=C][O][Ring1][Branch1] | N14CCOC7C1.c17nccs1.c16ccco1.O=C3C4.N35.C56 |
1933591 | Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(C)CO)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][O][Ring2][Ring1][#Branch1] | c18nn7cc16.Cc1ccc8o1.c17ccccc1.C5(C)CO.C46=O.N45 |
1933592 | Cc1nc2ccccc2c(C)c1CC(=O)NC(C)CO | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O] | Cc1nc2ccccc2c(C)c15.C5C3=O.C4(C)CO.N34 |
1933593 | Cc1nc2cc(C(=O)NC(C)CO)ccc2n1-c1ccccc1 | [C][C][=N][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][=C][C][=C][Ring1][=N][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2cc5ccc2n16.c16ccccc1.C4(C)CO.C35=O.N34 |
1933594 | CCn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)CO)cc(C3CC3)nc21 | [C][C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][S][Ring2][Ring1][=Branch1] | n17c(=O)[nH]c(=O)c2c6cc8nc21.C5(C)CO.C46=O.C18CC1.CC7.N45 |
1933595 | CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)CO)cc(C3CC3)nc21 | [C][C][C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][S][Ring2][Ring1][=Branch1] | n17c(=O)[nH]c(=O)c2c6cc8nc21.C5(C)CO.CCC7.C46=O.C18CC1.N45 |
1933596 | Cc1ccc(-c2nc(C)sc2CC(=O)NC(C)CO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.c16nc(C)sc15.C5C3=O.C4(C)CO.N34 |
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