ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1935553 | Cc1ncc(CNC(=O)C2CCCN2C(=O)OC(C)(C)C)s1 | [C][C][=N][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][S][Ring2][Ring1][Branch1] | Cc1ncc9s1.C18CCCN15.C6(C)(C)C.C48=O.C35=O.C79.N47.O36 |
1935554 | Cc1ncc(CNC(=O)CCOc2ccccc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][C] | Cc1ncc7s1.c15ccccc1.C3(=O)CC4.C67.N36.O45 |
1935555 | COc1ccc(OCCC(=O)NCc2cnc(C)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c18cnc(C)s1.C4CC3=O.CO5.O46.N37.C78 |
1935556 | Cc1ncc(CNC(=O)CCOc2ccc(F)cc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][Ring1] | c15ccc(F)cc1.Cc1ncc7s1.C3(=O)CC4.C67.N36.O45 |
1935558 | Cc1nc(CC(=O)NCc2cnc(C)s2)cs1 | [C][C][=N][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][S][Ring1][S] | Cc1nc5cs1.c16cnc(C)s1.C5C3=O.N34.C46 |
1935559 | Cc1ncc(CNC(=O)CCc2c(C)n[nH]c2C)s1 | [C][C][=N][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][S][Ring2][Ring1][C] | c16c(C)n[nH]c1C.Cc1ncc5s1.C3(=O)CC6.C45.N34 |
1935560 | Cc1ncc(CNC(=O)c2cc(C)n(C(C)C)c2C)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][S][Ring2][Ring1][Ring1] | c15cc(C)n6c1C.Cc1ncc7s1.C35=O.C6(C)C.C47.N34 |
1935561 | Cc1ncc(CNC(=O)c2ccccc2COc2ccccc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][#Branch1] | c17ccccc19.Cc1ncc8s1.c15ccccc1.C37=O.C68.N36.C49.O45 |
1935562 | Cc1ncc(CNC(=O)c2oc3ccccc3c2COC(C)C)s1 | [C][C][=N][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][O][C][Branch1][C][C][C][S][Ring2][Ring1][#Branch1] | c18oc2ccccc2c1%10.Cc1ncc9s1.C48=O.C6(C)C.C79.N47.C5%10.O56 |
1935563 | Cc1nc(-c2c[nH]c(C(=O)NCc3cnc(C)s3)c2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][NH1][C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][#C][=C][S][Ring2][Ring1][Ring2] | Cc1nc8cs1.c18c[nH]c6c1.c17cnc(C)s1.C46=O.N45.C57 |
1935564 | Cc1ncc(CNC(=O)C2CCCN2C(=O)C(C)C)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][C][S][Ring2][Ring1][Ring1] | Cc1ncc7s1.C16CCCN14.C4(=O)C(C)C.C36=O.C57.N35 |
1935565 | Cc1ncc(CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)s1 | [C][C][=N][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring2][Ring1][=Branch1] | c16ccc2c(c1)Cc1ccccc1-2.Cc1ncc7s1.C46=O.C57.N45 |
1935566 | Cc1ncc(CNC(=O)CCN2C(=O)C(C)Oc3ccccc32)s1 | [C][C][=N][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][S][Ring2][Ring1][#Branch1] | C4(=O)CCN1C(=O)C(C)Oc2ccccc21.Cc1ncc6s1.C56.N45 |
1935569 | Cc1ncc(CNC(=O)C2CCN(c3ncccn3)CC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][S][Ring2][Ring1][Branch1] | C17CCN6CC1.Cc1ncc8s1.c16ncccn1.C47=O.C58.N45 |
1935570 | Cc1ncc(CNC(=O)C2CCCCN2S(C)(=O)=O)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][S][Ring2][Ring1][Ring1] | C16CCCCN15.Cc1ncc7s1.S5(C)(=O)=O.C36=O.C47.N34 |
1935571 | Cc1ncc(CNC(=O)CCc2c(C)nn(C)c2C)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][S][Ring2][Ring1][Ring1] | c16c(C)nn(C)c1C.Cc1ncc5s1.C3(=O)CC6.C45.N34 |
1935573 | Cc1ncc(CNC(=O)CCCNC(=O)NC2CCCCC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1] | Cc1ncc9s1.C3(=O)CCC7.C18CCCCC1.C45=O.C69.N36.N47.N58 |
1935575 | Cc1ncc(CNC(=O)c2scnc2C)s1 | [C][C][=N][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][S][Ring1][#C] | Cc1ncc6s1.c15scnc1C.C35=O.C46.N34 |
1935576 | Cc1ncc(CNC(=O)CCOc2ccc(Cl)cc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][Ring1] | c15ccc(Cl)cc1.Cc1ncc7s1.C3(=O)CC4.C67.N36.O45 |
1935577 | Cc1ncc(CNC(=O)Cc2noc3ccccc23)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][S][Ring2][Ring1][Ring1] | c17noc2ccccc12.Cc1ncc6s1.C4(=O)C7.C56.N45 |
1935578 | Cc1ncc(CNC(=O)Cc2csc(NC(=O)C(C)C)n2)s1 | [C][C][=N][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][Ring1][O][S][Ring2][Ring1][Branch1] | Cc1ncc7s1.c18csc6n1.C4(=O)C(C)C.C3(=O)C8.C57.N35.N46 |
1935580 | Cc1ccc(OCCC(=O)NCc2cnc(C)s2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5c(C)c1.c17cnc(C)s1.C4CC3=O.O45.N36.C67 |
1935581 | Cc1ncc(CNC(=O)CCOc2ccccc2Cl)s1 | [C][C][=N][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring2][Ring1][Ring1] | c15ccccc1Cl.Cc1ncc7s1.C3(=O)CC4.C67.N36.O45 |
1935582 | Cc1ncc(CNC(=O)CCOc2ccc(C)c(C)c2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][Ring2] | c15ccc(C)c(C)c1.Cc1ncc7s1.C3(=O)CC4.C67.N36.O45 |
1935583 | Cc1cc(C)cc(OCCC(=O)NCc2cnc(C)s2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cc5cc(C)c1.c17cnc(C)s1.C4CC3=O.O45.N36.C67 |
1935584 | Cc1ncc(CNC(=O)CCOc2cccc(Cl)c2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring2][Ring1][Ring1] | c15cccc(Cl)c1.Cc1ncc7s1.C3(=O)CC4.C67.N36.O45 |
1935585 | Cc1ncc(CNC(=O)c2ccc(Oc3ccccc3)nc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][S][Ring2][Ring1][=Branch1] | c18ccc5nc1.Cc1ncc9s1.c16ccccc1.C48=O.C79.N47.O56 |
1935586 | Cc1ncc(CNC(=O)CCOc2ccc(F)cc2Cl)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][S][Ring2][Ring1][Ring2] | c15ccc(F)cc1Cl.Cc1ncc7s1.C3(=O)CC4.C67.N36.O45 |
1935587 | COc1cccc2cc(C(=O)NCc3cnc(C)s3)oc12 | [C][O][C][=C][C][=C][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][O][C][Ring2][Ring1][Ring1][=Ring1][#C] | c15cccc2cc7oc12.c18cnc(C)s1.C47=O.CO5.N46.C68 |
1935588 | Cc1ncc(CNC(=O)c2cc3ccccc3o2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][S][Ring2][Ring1][C] | c16cc2ccccc2o1.Cc1ncc7s1.C46=O.C57.N45 |
1935589 | COc1ccc2oc(C(=O)NCc3cnc(C)s3)c(C)c2c1 | [C][O][C][=C][C][=C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Branch1][C][C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2oc7c(C)c2c1.c18cnc(C)s1.C47=O.CO5.N46.C68 |
1935590 | CCCS(=O)(=O)N1CCCC1C(=O)NCc1cnc(C)s1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1] | CCCS4(=O)=O.N14CCCC15.c16cnc(C)s1.C25=O.N23.C36 |
1935591 | Cc1ncc(CNC(=O)c2cc(C)n(C3CCCCC3)c2C)s1 | [C][C][=N][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][N][C][S][Ring2][Ring1][=Branch1] | c16cc(C)n8c1C.Cc1ncc7s1.C18CCCCC1.C46=O.C57.N45 |
1935595 | CCCS(=O)(=O)N1CCCCC1C(=O)NCc1cnc(C)s1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1] | N14CCCCC15.CCCS4(=O)=O.c16cnc(C)s1.C25=O.N23.C36 |
1935596 | Cc1ncc(CNC(=O)CCOc2ccc(Cl)cc2Cl)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][S][Ring2][Ring1][Ring2] | c15ccc(Cl)cc1Cl.Cc1ncc7s1.C3(=O)CC4.C67.N36.O45 |
1935597 | Cc1ncc(CNC(=O)CCOc2cccc(Cl)c2Cl)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][S][Ring2][Ring1][Ring2] | c15cccc(Cl)c1Cl.Cc1ncc7s1.C3(=O)CC4.C67.N36.O45 |
1935598 | Cc1ncc(CNC(=O)C(C)S(=O)(=O)c2ccc(F)cc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][Branch1] | C3(=O)C(C)S(=O)(=O)c1ccc(F)cc1.Cc1ncc5s1.C45.N34 |
1935599 | COc1cc(-c2ccccc2)sc1C(=O)NCc1cnc(C)s1 | [C][O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1] | c14cc8sc16.c18ccccc1.c17cnc(C)s1.C36=O.CO4.N35.C57 |
1935600 | Cc1ncc(CNC(=O)CCc2cnn(C)c2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][S][Ring1][P] | Cc1ncc5s1.c16cnn(C)c1.C3(=O)CC6.C45.N34 |
1935601 | CCCC(=O)N1CCCC1C(=O)NCc1cnc(C)s1 | [C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1] | N12CCCC15.c16cnc(C)s1.CCCC2=O.C35=O.N34.C46 |
1935602 | Cc1ncc(CNC(=O)Cn2c(C)c(C)sc2=O)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=O][S][Ring2][Ring1][C] | n15c(C)c(C)sc1=O.Cc1ncc6s1.C3(=O)C5.C46.N34 |
1935603 | CCc1nc(CC(=O)NCc2cnc(C)s2)cs1 | [C][C][C][=N][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][S][Ring1][S] | c15nc6cs1.c17cnc(C)s1.C6C3=O.CC5.N34.C47 |
1935604 | Cc1ccc2oc(C(=O)NCc3cnc(C)s3)cc2c1 | [C][C][=C][C][=C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2oc6cc2c1.c17cnc(C)s1.C46=O.N45.C57 |
1935605 | Cc1ncc(CNC(=O)c2oc3c(C)cccc3c2C)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][S][Ring2][Ring1][Ring2] | c16oc2c(C)cccc2c1C.Cc1ncc7s1.C46=O.C57.N45 |
1935606 | CC(=O)NC(C)C(=O)N(C1CC1)C(C)c1ccc2ccccc2c1 | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c18ccc2ccccc2c1.C5(C)C4=O.CC3=O.N467.C17CC1.C68C.N35 |
1935607 | Cc1ccc2c(c1)CCCN2CCCN1CCOCC1 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1] | Cc1ccc2c(c1)CCCN23.N14CCOCC1.C3CC4 |
1935608 | c1csc(CN(CCCN2CCOCC2)C2CC2)c1 | [C][=C][S][C][Branch2][Ring1][Branch1][C][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Ring1] | N15CCOCC1.c1csc7c1.C4CC5.N346.C16CC1.C37 |
1935609 | c1ccc(C2c3cccn3CCN2CCCN2CCOCC2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][C][N][Ring1][=Branch2][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] | c1ccc(C2c3cccn3CCN24)cc1.N15CCOCC1.C4CC5 |
1935611 | Fc1ccc2c(c1)CCCN2CCCN1CCOCC1 | [F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1] | Fc1ccc2c(c1)CCCN23.N14CCOCC1.C3CC4 |
1935612 | CC1CCN(CCCN2CCOCC2)c2ccccc21 | [C][C][C][C][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | CC1CCN3c2ccccc21.N14CCOCC1.C3CC4 |
1935613 | COC(=O)c1cccc2c1CCCN2CCCN1CCOCC1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][=Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1] | c16cccc2c1CCCN24.N15CCOCC1.C4CC5.C36=O.CO3 |
1935615 | Cc1ccc(C)c2c(C)c(C(=O)NCCCC(=O)NC3CC3)oc12 | [C][C][=C][C][=C][Branch1][C][C][C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][O][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][C] | Cc1ccc(C)c2c(C)c8oc12.C6CCC5=O.C48=O.C17CC1.N46.N57 |
1935618 | Cc1n[nH]c(C)c1CCC(=O)NC1(c2ccccc2)CCC1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2] | Cc1n[nH]c(C)c15.c16ccccc1.C5CC3=O.C146CCC1.N34 |
1935619 | NS(=O)(=O)c1ccc(C(=O)NC2(c3ccccc3)CCC2)o1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][O][Ring2][Ring1][C] | NS(=O)(=O)c1ccc6o1.c17ccccc1.C157CCC1.C46=O.N45 |
1935620 | CC(=O)N(C)CC(=O)NCC1(c2cccc(Cl)c2)CCCC1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c18cccc(Cl)c1.C178CCCC1.C5C4=O.CC3=O.N35C.N46.C67 |
1935621 | CC(=O)N(C)CC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c18ccc(Cl)cc1.C178CCCC1.C5C4=O.CC3=O.N35C.N46.C67 |
1935622 | Cc1ncc(CNC(=O)c2oc3c(C)ccc(C)c3c2C)s1 | [C][C][=N][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][O][C][S][Ring2][Ring1][Branch1] | c16oc2c(C)ccc(C)c2c1C.Cc1ncc7s1.C46=O.C57.N45 |
1935623 | CC(=O)N(C)CC(=O)N(C1CC1)C(C)c1ccc2ccccc2c1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c18ccc2ccccc2c1.C5C4=O.CC3=O.N35C.N467.C17CC1.C68C |
1935624 | COc1ccc(OCCCNC(=O)c2cnn(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c18cnn(C)c1.C4CC7.C38=O.CO5.O46.N37 |
1935625 | COc1ccc(OCCCNC(=O)c2c(C)nn(C)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=C][Ring2][Ring1][Branch1] | c18c(C)nn(C)c1C.c15ccc6cc1.C4CC7.C38=O.CO5.O46.N37 |
1935626 | COc1ccc(OCCCNC(=O)c2cnn(C)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c18cnn(C)c1C.C4CC7.C38=O.CO5.O46.N37 |
1935627 | CC(=O)c1c[nH]c(C(=O)NCc2cccc(OCC(C)C)c2)c1 | [C][C][=Branch1][C][=O][C][=C][NH1][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][Ring1][O][=C][Ring2][Ring1][Ring2] | c19cccc5c1.c18c[nH]c7c1.C4C(C)C.CC8=O.C37=O.N36.C69.O45 |
1935628 | CC(C)COc1cccc(CNC(=O)c2cccn2C)c1 | [C][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][=C][Ring1][S] | c15cccc8c1.c17cccn1C.CC(C)C4.C37=O.O45.C68.N36 |
1935630 | CC1(C)CC2CC(C)(CN2C(=O)c2cccc3nccnc23)C1 | [C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][=Branch1] | CC1(C)CC2CC(C)(CN24)C1.c15cccc2nccnc12.C45=O |
1935631 | Cc1cc(C(=O)N2CCC3(CCO3)CC2)cc(S(N)(=O)=O)c1C | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][C][O][Ring1][Ring2][C][C][Ring1][=Branch2][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1][C] | Cc1cc5cc(S(N)(=O)=O)c1C.N14CCC2(CCO2)CC1.C45=O |
1935632 | CSc1ccc2c(c1)CCN(C(=O)c1cn3cccnc3n1)C2 | [C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][Ring2][Ring1][C] | c16ccc2c(c1)CCN4C2.c15cn2cccnc2n1.C45=O.CS6 |
1935635 | Cc1nc(C)c(CC(=O)NCc2csc(N3CCCC3)n2)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2][S][Ring2][Ring1][Branch1] | Cc1nc(C)c7s1.c18csc6n1.N16CCCC1.C7C4=O.N45.C58 |
1935636 | O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)C1CCOC1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][#C][C][C][C][O][C][Ring1][Branch1] | c18nc2ccccc2[nH]1.C17CCC8CC1.C16CCOC1.O=C46.N45.C57 |
1935637 | Cc1[nH]nc(CCC(=O)NCC(=O)Nc2nccs2)c1C | [C][C][NH1][N][=C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=Ring2][Ring1][Ring1][C] | Cc1[nH]nc7c1C.C7CC3=O.c16nccs1.C5C4=O.N35.N46 |
1935638 | CC(C)N1CCOC(CC(=O)NCCCc2ccc(Cl)cc2)C1 | [C][C][Branch1][C][C][N][C][C][O][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2] | N14CCOC6C1.c17ccc(Cl)cc1.C6C3=O.C5CC7.CC4C.N35 |
1935639 | CCc1n[nH]cc1C(=O)NCC(O)COc1ccc(Cl)c(C)c1 | [C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2] | c14ccc(Cl)c(C)c1.c17n[nH]cc16.C5C(O)C3.C26=O.CC7.N25.O34 |
1935641 | Cc1cc(CC(C)NC(=O)Nc2ccnn2C2CCCCC2)[nH]n1 | [C][C][C][=C][Branch2][Ring1][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][NH1][N][=Ring2][Ring1][#Branch1] | Cc1cc7[nH]n1.c16ccnn18.C18CCCCC1.C7C5C.C34=O.N35.N46 |
1935642 | Cn1c(C(=O)N2CCCC2c2ccco2)cc(=O)n(C)c1=O | [C][N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c4cc(=O)n(C)c1=O.N13CCCC15.c15ccco1.C34=O |
1935643 | CC(C)(O)C#Cc1ccc(CN2CCCC(c3ccncn3)C2)cc1 | [C][C][Branch1][C][C][Branch1][C][O][C][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Ring1] | CC(C)(O)C#Cc1ccc5cc1.N14CCCC6C1.c16ccncn1.C45 |
1935644 | CN(Cc1ccccc1C(F)(F)F)C(=O)c1cccc2nccnc12 | [C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2nccnc12.c16ccccc17.C7(F)(F)F.CN34.C35=O.C46 |
1935645 | CN(CC1(CO)CC1)C(=O)Nc1ccc(-c2cccc(F)c2)cc1 | [C][N][Branch1][O][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][=N] | c16ccc9cc1.c19cccc(F)c1.C178CC1.CN35.C34=O.C57.C8O.N46 |
1935646 | O=C(CN1CCCCC1=O)NCc1ccc(F)cc1Cl | [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][Cl] | c15ccc(F)cc1Cl.N14CCCCC1=O.O=C2C4.N23.C35 |
1935647 | O=C(NCC1=CCCCC1)c1cc(C(F)(F)F)n[nH]1 | [O][=C][Branch1][O][N][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][NH1][Ring1][=Branch2] | C3C1=CCCCC1.c14cc5n[nH]1.C5(F)(F)F.O=C24.N23 |
1935648 | CC(C)COc1cc(F)cc(-c2cncc(C(=O)N3CCCC3)n2)c1 | [C][C][Branch1][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N][=C][Ring2][Ring1][Ring2] | c16cc8cc(F)c1.c18cncc7n1.N14CCCC1.CC(C)C5.C47=O.O56 |
1935649 | CCc1cc(CN2CCOc3ccc(Cl)cc3C2)[nH]n1 | [C][C][C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][N][NH1][N][=Ring2][Ring1][C] | N14CCOc2ccc(Cl)cc2C1.c15cc6[nH]n1.CC5.C46 |
1935651 | COCCN(Cc1cnn(C)c1)C(=O)c1c(C)nc2cc(C)ccn12 | [C][O][C][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][O][Ring1][#Branch1] | c17c(C)nc2cc(C)ccn12.c18cnn(C)c1.C4C5.N356.C37=O.CO4.C68 |
1935652 | CCOCc1cc(CN2CCCC(c3ccncn3)C2)ccc1OC | [C][C][O][C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring1][O][C] | c18cc9ccc16.N17CCCC%10C1.c1%10ccncn1.CC4.O45.C58.C79.O6C |
1935653 | CCCN(C(=O)C1CCCCO1)C1Cc2ccccc2C1 | [C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][O][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | C15Cc2ccccc2C1.C16CCCCO1.CCC4.N345.C36=O |
1935654 | CCOCC1(CNC(=O)c2ncoc2C)CCC1 | [C][C][O][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][C][C][C][Ring1][=C] | c17ncoc1C.C189CCC1.C37=O.CC4.O45.C58.C69.N36 |
1935655 | Nc1cccc(-c2cncc(C(=O)N3CCCC3)n2)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N][=C][Ring2][Ring1][Ring1] | Nc1cccc6c1.c16cncc5n1.N14CCCC1.C45=O |
1935658 | O=C(CCN1CCCCC1=O)NCCNC(=O)c1ccc(F)cc1 | [O][=C][Branch1][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N17CCCCC1=O.c16ccc(F)cc1.O=C2CC7.C4C5.C36=O.N24.N35 |
1935659 | O=C(Cn1cccnc1=O)NCCS(=O)(=O)c1ccc(F)cc1 | [O][=C][Branch1][O][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C3CS(=O)(=O)c1ccc(F)cc1.n14cccnc1=O.O=C2C4.N23 |
1935660 | O=C(CCc1n[nH]c2c1CCCC2)NCc1ccoc1 | [O][=C][Branch1][S][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][C][C][C][=C][O][C][=Ring1][Branch1] | c15n[nH]c2c1CCCC2.O=C3CC5.c16ccoc1.N34.C46 |
1935662 | CCOc1ccc(CCNC(=O)Nc2cnns2)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][N][C][=C][N][=N][S][Ring1][Branch1][C][=C][Ring1][P] | c16ccc9cc1.c18cnns1.C9C7.C34=O.CC5.O56.N37.N48 |
1935663 | Cc1cc(C)n(C2CCN(CC(C)(C)CN3CCOCC3)C2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][N][C][C][C][N][Branch2][Ring1][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n6n1.C16CCN4C1.C4C(C)(C)C5.N15CCOCC1 |
1935664 | O=C(c1ccnc(-c2ccc(-n3cccn3)cc2)c1)N1CCOCC1 | [O][=C][Branch2][Ring1][=N][C][=C][C][=N][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][=C][Ring1][P][N][C][C][O][C][C][Ring1][=Branch1] | c15ccnc7c1.c17ccc6cc1.N14CCOCC1.n16cccn1.O=C45 |
1935665 | CCCN(C(=O)Cn1cccnc1=O)C1Cc2ccccc2C1 | [C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | C15Cc2ccccc2C1.n16cccnc1=O.C3(=O)C6.CCC4.N345 |
1935666 | COc1cc(CN2CCCC(c3ccncn3)C2)cc2c1OCO2 | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring1][O][C][O][Ring1][Branch1] | c14cc6cc2c1OCO2.N15CCCC7C1.c17ccncn1.CO4.C56 |
1935667 | Cc1ncc(C(=O)N2CCc3sccc3C2)c(C)n1 | [C][C][=N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][Branch1][C][C][=N][Ring2][Ring1][C] | N14CCc2sccc2C1.Cc1ncc5c(C)n1.C45=O |
1935668 | CCOCC1(CNC(=O)c2cnc(C)c(C)c2)CCC1 | [C][C][O][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][C][Ring1][S] | c17cnc(C)c(C)c1.C189CCC1.C37=O.CC4.O45.C58.C69.N36 |
1935669 | O=C(c1cncc(-c2ccc(CO)cc2)n1)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][=C][N][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][=N][Ring1][=C][N][C][C][C][C][Ring1][Branch1] | c14cncc6n1.c16ccc5cc1.N13CCCC1.O=C34.C5O |
1935671 | CCCN1C(=O)C2CCC1CN(C(=O)CCCc1cn[nH]c1)C2 | [C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][C][Ring1][P] | N14C(=O)C2CCC1CN3C2.C3(=O)CCC5.c15cn[nH]c1.CCC4 |
1935674 | CCn1ncnc1C(C)Nc1nccc(-c2ccccn2)n1 | [C][C][N][N][=C][N][=C][Ring1][Branch1][C][Branch1][C][C][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N] | c14nccc7n1.n15ncnc16.c17ccccn1.C36C.CC5.N34 |
1935675 | COc1c[nH]c(C(=O)NC(C)c2ccc3c(c2)CCCC3)cc1=O | [C][O][C][=C][NH1][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=C][C][Ring2][Ring1][Branch1][=O] | c18ccc2c(c1)CCCC2.c15c[nH]c7cc1=O.C47=O.C68C.CO5.N46 |
1935676 | CC(=O)N1CCN(C(=O)Cc2cnc(C)[nH]c2=O)CC(O)C1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][C][C][NH1][C][Ring1][#Branch1][=O][C][C][Branch1][C][O][C][Ring2][Ring1][Ring1] | N13CCN4CC(O)C1.c15cnc(C)[nH]c1=O.C4(=O)C5.CC3=O |
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