ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
46575 | CCOC(=O)c1cnn2c(N)c(C(=O)Nc3cccc(C)c3)nnc12 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][=N][C][=Ring2][Ring1][Ring2][Ring1][P] | c19cnn2c(N)c8nnc12.c17cccc(C)c1.C49=O.C58=O.CC6.O46.N57 |
46576 | CNC(=O)c1cnn2c(N)c(C(=O)Nc3cccc(Cl)c3)nnc12 | [C][N][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=N][C][=Ring2][Ring1][Ring2][Ring1][P] | c18cnn2c(N)c7nnc12.c16cccc(Cl)c1.C48=O.C57=O.CN4.N56 |
46577 | CCOC(=O)c1cnn2c(N)c(C(=O)NC)nnc12 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][N][=N][C][=Ring1][=C][Ring1][O] | c17cnn2c(N)c6nnc12.C37=O.C46=O.CC5.O35.N4C |
46578 | Cc1cc(C)c(C2=NCCNC(C(F)(F)F)=C2)c(=O)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=N][C][C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1] | Cc1cc(C)c(C2=NCCNC(C(F)(F)F)=C2)c(=O)[nH]1 |
46579 | Cc1cc(C)c(C2=CC(C(F)(F)C(F)F)=NCCN2)c(=O)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][=C][C][Branch1][=N][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=N][C][C][N][Ring1][=N][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch1] | Cc1cc(C)c(C2=CC(C(F)(F)C(F)F)=NCCN2)c(=O)[nH]1 |
46580 | COc1ccc2nnc3nc(C#N)c(C#N)n3c2c1 | [C][O][C][=C][C][=C][N][=N][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][N][Ring1][=Branch2][C][Ring1][=N][=C][Ring1][P] | c14ccc2nnc3nc(C#N)c(C#N)n3c2c1.CO4 |
46581 | COc1cc(OC)c2nnc3nc(C#N)c(C#N)n3c2c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][N][=N][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][N][Ring1][=Branch2][C][Ring1][=N][=C][Ring2][Ring1][Ring1] | c14cc5c2nnc3nc(C#N)c(C#N)n3c2c1.CO4.O5C |
46583 | CNC(=O)c1ncn2c(N)c(C(=O)Nc3cccc(OC)c3)nnc12 | [C][N][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][=N][C][=Ring2][Ring1][Branch1][Ring2][Ring1][C] | c18ncn2c(N)c9nnc12.c17cccc6c1.C48=O.C59=O.CN4.N57.O6C |
46584 | CNC(=O)c1ncn2c(N)c(C(=O)Nc3cccc(Cl)c3)nnc12 | [C][N][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=N][C][=Ring2][Ring1][Ring2][Ring1][P] | c17ncn2c(N)c8nnc12.c16cccc(Cl)c1.C47=O.C58=O.CN4.N56 |
46585 | CCOC(=O)c1ncn2c(N)c(C(N)=O)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=N][C][=Ring1][=N][Ring1][#Branch2] | c15ncn2c(N)c6nnc12.C35=O.C6(N)=O.CC4.O34 |
46586 | CCOC(=O)c1nnc2c(C(=O)OCC)ncn2c1N | [C][C][O][C][=Branch1][C][=O][C][N][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][N][=C][N][Ring1][#Branch2][C][=Ring1][=C][N] | c17nnc2c8ncn2c1N.C37=O.C48=O.CC5.O35.O46.C6C |
46587 | CCOC(=O)c1ncn2c(N)c(C(=O)Nc3ccc(C)cc3)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=N][C][=Ring2][Ring1][Ring2][Ring1][P] | c18ncn2c(N)c9nnc12.c17ccc(C)cc1.C48=O.C59=O.CC6.O46.N57 |
46588 | CCOC(=O)c1ncn2c(N)c(C(=O)NCc3ccccc3)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=Ring2][Ring1][Ring2][Ring1][P] | c18ncn2c(N)c9nnc12.c1%10ccccc1.C48=O.C59=O.CC6.O46.N57.C7%10 |
46589 | CCOC(=O)c1ncn2c(N)c(C(=O)Nc3cccnc3)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=N][C][=Ring2][Ring1][Ring1][Ring1][S] | c18ncn2c(N)c9nnc12.c17cccnc1.C48=O.C59=O.CC6.O46.N57 |
46590 | Cc1ccc(-n2nnc3c(C(N)=O)ncn3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=C][N][Ring1][Branch2][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | n15nnc2c4ncn2c1=O.Cc1ccc5cc1.C4(N)=O |
46596 | Cn1c(=O)c2[nH]c(NCC3CCCO3)nc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=N][C][=Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)c2[nH]c5nc2n(C)c1=O.C16CCCO1.N45.C46 |
46598 | COc1cccc(CNc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][N][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c16nc2c([nH]1)c(=O)n(C)c(=O)n2C.c14cccc7c1.CO4.C57.N56 |
46599 | COc1ccccc1CNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C] | c15nc2c([nH]1)c(=O)n(C)c(=O)n2C.c13ccccc16.CO3.C46.N45 |
46600 | Cn1c(=O)c2[nH]c(N3CCc4ccccc4C3)nc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][C][=Ring1][#C][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | Cn1c(=O)c2[nH]c5nc2n(C)c1=O.N15CCc2ccccc2C1 |
46602 | FC(F)(F)c1nnc2ccc(-n3cnc4ccccc43)nn12 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][N][=C][C][=C][C][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][N][Ring2][Ring1][C][Ring1][#C] | c15nnc2ccc6nn12.n16cnc2ccccc21.FC5(F)F |
46604 | CC(=O)N(CC(=O)Nc1ccc2c(ccn2C)c1)Cc1cccnc1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][=C][Ring1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17ccc2c(ccn2C)c1.c18cccnc1.C5C4=O.CC3=O.N356.N47.C68 |
46605 | CC(C)(C(=O)Nc1ccc2[nH]ccc2c1)N1CCC1=O | [C][C][Branch1][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][Ring1][Ring2][=O] | c14ccc2[nH]ccc2c1.CC5(C)C3=O.N15CCC1=O.N34 |
46606 | CCOC(=O)c1nnsc1N1CCCCCC1 | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | N14CCCCCC1.c15nnsc14.C25=O.CC3.O23 |
46607 | O=C1CCN1C1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 | [O][=C][C][C][N][Ring1][Ring2][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][C][Ring2][Ring1][C] | c15ccc2c(c1)OCO2.C167CCCCC1.O=C1CCN17.C46=O.N45 |
46608 | Cc1ccc(NC(=O)C2(N3CCC3=O)CCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][C][C][Ring1][Ring2][=O][C][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.C167CCCCC1.N17CCC1=O.C46=O.N45 |
46609 | COc1ccc(C(=O)NC(C(C)C)N2CCC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][C][C][Ring1][Ring2][=O][C][=C][Ring2][Ring1][C] | c14ccc6cc1.C57C(C)C.N17CCC1=O.C36=O.CO4.N35 |
46610 | COc1ccc(C(=O)NC(C2CC=CCC2)N2CCC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][C][=C][C][C][Ring1][=Branch1][N][C][C][C][Ring1][Ring2][=O][C][=C][Ring2][Ring1][Branch1] | c14ccc6cc1.C18CC=CCC1.N17CCC1=O.C36=O.C578.CO4.N35 |
46611 | CN(C)c1ccc(C(=O)NC(C2CC=CCC2)N2CCC2=O)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][C][=C][C][C][Ring1][=Branch1][N][C][C][C][Ring1][Ring2][=O][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.C18CC=CCC1.N17CCC1=O.CN5C.C36=O.C478.N34 |
46612 | CC(C)C(NC(=O)c1ccc(N(C)C)cc1)N1CCC1=O | [C][C][Branch1][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][C][C][C][Ring1][Ring2][=O] | c15ccc4cc1.CC(C)C36.N16CCC1=O.C25=O.N4(C)C.N23 |
46613 | O=C1CCN1C1(C(=O)Nc2ccccc2)CCCCC1 | [O][=C][C][C][N][Ring1][Ring2][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][#C] | C156CCCCC1.c14ccccc1.O=C1CCN16.C35=O.N34 |
46614 | Cc1ccc(S(=O)(=O)CNC(=O)Nc2ccccc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S(=O)(=O)CN3)cc1.c15ccccc1F.C34=O.N45 |
46617 | CCOC(=O)c1cccc(=O)c2c(C)n(CC3CCCO3)c(C)c12 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Ring1][=N] | c16cccc(=O)c2c(C)n7c(C)c12.C18CCCO1.C46=O.CC5.O45.C78 |
46618 | Cc1cc(-n2nc(-c3cccs3)cc2C(F)(F)F)nc(N)n1 | [C][C][=C][C][Branch2][Ring1][=Branch2][N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][C][N][=N][Ring2][Ring1][Branch1] | Cc1cc5nc(N)n1.n15nc6cc14.c16cccs1.C4(F)(F)F |
46619 | O=C(Cn1c2ccccc2n2ncnc12)c1ccco1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][N][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | n14c2ccccc2n2ncnc12.c13ccco1.O=C3C4 |
46620 | COc1nc(-c2ccco2)nnc1-c1ccccc1 | [C][O][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc4nnc15.c15ccccc1.c14ccco1.CO3 |
46621 | CN(C)c1nc(-c2ccco2)nnc1-c1ccccc1 | [C][N][Branch1][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc4nnc15.c15ccccc1.c14ccco1.CN3C |
46622 | c1ccc(-c2nnc(-c3ccco3)nc2N2CCCC2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | c16nnc5nc14.c1ccc6cc1.c15ccco1.N14CCCC1 |
46623 | O=C1CCN1C1(C(=O)Nc2ccc3c(c2)OCO3)CCCC1 | [O][=C][C][C][N][Ring1][Ring2][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][Ring1][P] | c15ccc2c(c1)OCO2.C167CCCC1.O=C1CCN17.C46=O.N45 |
46624 | CC(=O)N(c1ccc2c(c1)OCO2)c1c(C)nc2ccccn12 | [C][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1] | c14c(C)nc2ccccn12.c15ccc2c(c1)OCO2.CC3=O.N345 |
46625 | CCc1nc2ccccn2c1N(C(C)=O)c1ccc2c(c1)OCO2 | [C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16nc2ccccn2c14.c15ccc2c(c1)OCO2.N345.C3(C)=O.CC6 |
46626 | CC(C)(C(=O)NC1CCCCC1)N1C(=O)CC1c1ccccc1 | [C][C][Branch1][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC4(C)C2=O.C13CCCCC1.N14C(=O)CC15.c15ccccc1.N23 |
46627 | CC(C)(C(=O)NC1CCCCC1)N1C(=O)CC1c1ccc(F)cc1 | [C][C][Branch1][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.CC4(C)C2=O.C13CCCCC1.N14C(=O)CC15.N23 |
46628 | CCC(C)(C(=O)NC1CCCCC1)N1CCC1=O | [C][C][C][Branch1][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][Ring1][Ring2][=O] | CCC4(C)C2=O.C13CCCCC1.N14CCC1=O.N23 |
46629 | CC(=O)N(c1c(C)nc2ccccn12)C1CCCCC1 | [C][C][=Branch1][C][=O][N][Branch1][P][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c14c(C)nc2ccccn12.C15CCCCC1.CC3=O.N345 |
46630 | CC(C)(C(=O)NCc1ccc(C(F)(F)F)cc1)N1CCC1=O | [C][C][Branch1][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][C][Ring1][Ring2][=O] | c15ccc6cc1.CC4(C)C2=O.N14CCC1=O.C6(F)(F)F.N23.C35 |
46631 | CCC(C)(C(=O)NCc1ccc(C(F)(F)F)cc1)N1CCC1=O | [C][C][C][Branch1][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][C][Ring1][Ring2][=O] | CCC4(C)C2=O.c15ccc6cc1.N14CCC1=O.C6(F)(F)F.N23.C35 |
46633 | COc1cccc(CNC(=O)C(C)(C)N2CCC2=O)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][C][C][Ring1][Ring2][=O][=C][Ring2][Ring1][C][O][C] | c14cccc8c15.C3(=O)C7(C)C.N17CCC1=O.CO4.C68.N36.O5C |
46634 | CCC(C)(C(=O)NCc1cccc(OC)c1OC)N1CCC1=O | [C][C][C][Branch1][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][N][C][C][C][Ring1][Ring2][=O] | c17cccc3c14.CCC6(C)C2=O.N16CCC1=O.N25.C57.O3C.O4C |
46636 | COc1cccc(CN(C(C)=O)c2c(C)nc3ccccn23)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][O][C] | c18c(C)nc2ccccn12.c15cccc9c16.N478.C4(C)=O.CO5.C79.O6C |
46637 | CCC(C)(C(=O)Nc1c(C)cc(C)cc1C)N1CCC1=O | [C][C][C][Branch1][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][N][C][C][C][Ring1][Ring2][=O] | c13c(C)cc(C)cc1C.CCC4(C)C2=O.N14CCC1=O.N23 |
46638 | Cc1cc(C)c(NC(=O)C2(N3CCC3=O)CCCC2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][C][C][Ring1][Ring2][=O][C][C][C][C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1cc(C)c5c(C)c1.C167CCCC1.N17CCC1=O.C46=O.N45 |
46639 | Cc1cc(C)c(NC(=O)C2(N3CCC3=O)CCCCC2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][C][C][Ring1][Ring2][=O][C][C][C][C][C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c5c(C)c1.C167CCCCC1.N17CCC1=O.C46=O.N45 |
46640 | CC(C)(C(=O)NC1CCCC1)N1C(=O)CC1c1ccc(F)cc1 | [C][C][Branch1][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.CC4(C)C2=O.N14C(=O)CC15.C13CCCC1.N23 |
46641 | CCC(C)(C(=O)NC1CCCC1)N1C(=O)CC1c1ccccc1 | [C][C][C][Branch1][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | CCC4(C)C2=O.N14C(=O)CC15.c15ccccc1.C13CCCC1.N23 |
46642 | CCC(C)(C(=O)NC1CCCC1)N1C(=O)CC1c1ccc(F)cc1 | [C][C][C][Branch1][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | CCC4(C)C2=O.c15ccc(F)cc1.N14C(=O)CC15.C13CCCC1.N23 |
46643 | O=C1CCN1C1(C(=O)NC2CCCC2)CCCC1 | [O][=C][C][C][N][Ring1][Ring2][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][Ring1][=N] | C156CCCC1.O=C1CCN16.C14CCCC1.C35=O.N34 |
46644 | O=C1CC(c2ccccc2)N1C1(C(=O)NC2CCCC2)CCCC1 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][Ring1][=N] | O=C1CC7N16.c17ccccc1.C156CCCC1.C14CCCC1.C35=O.N34 |
46645 | O=C1CCN1C1(C(=O)NC2CCCC2)CCCCC1 | [O][=C][C][C][N][Ring1][Ring2][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][=C] | C156CCCCC1.O=C1CCN16.C14CCCC1.C35=O.N34 |
46646 | CC(C)(C(=O)NCc1cccc2ccccc12)N1CCC1=O | [C][C][Branch1][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][Ring1][Ring2][=O] | c16cccc2ccccc12.CC5(C)C3=O.N15CCC1=O.N34.C46 |
46647 | CCC(C)(C(=O)NCc1cccc2ccccc12)N1CCC1=O | [C][C][C][Branch1][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][Ring1][Ring2][=O] | c16cccc2ccccc12.CCC5(C)C3=O.N15CCC1=O.N34.C46 |
46648 | O=C1CCN1C1(C(=O)NCc2cccc3ccccc23)CCCC1 | [O][=C][C][C][N][Ring1][Ring2][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][Ring1] | c17cccc2ccccc12.C168CCCC1.O=C1CCN18.C46=O.N45.C57 |
46649 | O=C1CCN1C1(C(=O)NCc2cccc3ccccc23)CCCCC1 | [O][=C][C][C][N][Ring1][Ring2][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][C][Ring2][Ring1][Ring2] | c17cccc2ccccc12.C168CCCCC1.O=C1CCN18.C46=O.N45.C57 |
46650 | CC(C)(C(=O)NC(Cc1ccccc1)c1ccccc1)N1CCC1=O | [C][C][Branch1][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Ring1][Ring2][=O] | CC4(C)C2=O.c16ccccc1.c15ccccc1.N14CCC1=O.C35C6.N23 |
46651 | COc1ccc(NC(=O)C(C)(C)N2CCC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][C][C][Ring1][Ring2][=O][C][=C][Ring1][P] | c14ccc5cc1.C3(=O)C6(C)C.N16CCC1=O.CO4.N35 |
46652 | CCC(C)(C(=O)Nc1ccc(OC)cc1)N1CCC1=O | [C][C][C][Branch1][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][C][C][C][Ring1][Ring2][=O] | CCC5(C)C2=O.c14ccc3cc1.N15CCC1=O.N24.O3C |
46653 | COc1ccc(NC(=O)C2(N3CCC3=O)CCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][C][C][Ring1][Ring2][=O][C][C][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.C178CCCC1.N18CCC1=O.C47=O.CO5.N46 |
46654 | COc1ccc(N(C(C)=O)c2c(C)nc3ccccn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c16c(C)nc2ccccn12.c15ccc7cc1.N467.C4(C)=O.CO5 |
46655 | CCc1nc2ccccn2c1N(C(C)=O)c1ccc(OC)cc1 | [C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c17nc2ccccn2c15.c16ccc4cc1.N356.C3(C)=O.CC7.O4C |
46656 | O=C(c1cccc2c1C(=O)N(Cc1cccs1)C2)N1CCOCC1 | [O][=C][Branch2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | c14cccc2c1C(=O)N5C2.N13CCOCC1.c16cccs1.O=C34.C56 |
46657 | CCOC(=O)c1cnn2c1nnc1c(OC)cc(OC)cc12 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][N][=N][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][=C] | c17cnn2c1nnc1c5cc6cc12.C37=O.CC4.O34.O5C.O6C |
46658 | Cc1cc(C)n(-c2nc(-c3cccc(O)c3)cs2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][S][Ring1][N][N][=Ring2][Ring1][C] | Cc1cc(C)n4n1.c15cccc(O)c1.c14nc5cs1 |
46659 | CCOC(=O)c1csc(-n2nc(C)cc2C)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][Ring1][N] | n16nc(C)cc1C.c15csc6n1.C35=O.CC4.O34 |
46660 | Cc1cc(C)n(-c2nc(-c3ccccn3)cs2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][N][=Ring1][P] | Cc1cc(C)n4n1.c14nc5cs1.c15ccccn1 |
46661 | COC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1 | [C][O][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Ring1][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#C] | n16nc(C)cc15.c14csc6n1.C5(F)(F)F.C34=O.CO3 |
46662 | Fc1ccc(-c2cn3nc(N4CCCC4)sc3n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][C][Ring1][#Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c16cn2nc5sc2n1.Fc1ccc6cc1.N15CCCC1 |
46663 | CCOC(=O)c1ncn2c1nnc1c3ccccc3ccc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][N][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][Ring1][=C] | c16ncn2c1nnc1c3ccccc3ccc12.C46=O.CC5.O45 |
46664 | CCOC(=O)c1ncn2c(N)c(C(=O)NC)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][N][=N][C][=Ring1][=C][Ring1][O] | c16ncn2c(N)c7nnc12.C36=O.C47=O.CC5.O35.N4C |
46665 | CCOC(=O)c1ncn2c(N)c(C(=O)Nc3ccccc3C)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][C][=Ring2][Ring1][Ring2][Ring1][P] | c18ncn2c(N)c9nnc12.c17ccccc1C.C48=O.C59=O.CC6.O46.N57 |
46666 | CCOC(=O)c1ncn2c(N)c(C(=O)Nc3ccccc3)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=Ring2][Ring1][Ring1][Ring1][S] | c18ncn2c(N)c9nnc12.c17ccccc1.C48=O.C59=O.CC6.O46.N57 |
46667 | CNC(=O)c1ncn2c(N)c(C(=O)Nc3ccccc3OC)nnc12 | [C][N][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][=N][C][=Ring2][Ring1][Branch1][Ring2][Ring1][C] | c18ncn2c(N)c9nnc12.c17ccccc16.C48=O.C59=O.CN4.N57.O6C |
46668 | CNC(=O)c1ncn2c(N)c(C(=O)Nc3ccc(Cl)cc3)nnc12 | [C][N][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][C][=Ring2][Ring1][Ring2][Ring1][P] | c17ncn2c(N)c8nnc12.c16ccc(Cl)cc1.C47=O.C58=O.CN4.N56 |
46669 | COC(=O)n1cnc(C(=O)Nc2c(Cl)cccc2Cl)c1N | [C][O][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=C][Ring1][S][N] | C3(=O)n1cnc6c1N.c15c(Cl)cccc1Cl.C46=O.CO3.N45 |
46670 | CCOC(=O)c1ncn2c(=O)c(C(N)=O)n[nH]c12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][NH1][C][=Ring1][=N][Ring1][#Branch2] | c15ncn2c(=O)c6n[nH]c12.C35=O.C6(N)=O.CC4.O34 |
46671 | CCOC(=O)c1ncn2c(N)c(C(=O)C(C)(C)C)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][=N][C][=Ring1][S][Ring1][=N] | c15ncn2c(N)c6nnc12.C6(=O)C(C)(C)C.C35=O.CC4.O34 |
46672 | NC(=O)c1ncn2c(N)c(-c3ccccc3)nnc12 | [N][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=Ring1][S][Ring1][=N] | c14ncn2c(N)c5nnc12.c15ccccc1.NC4=O |
46673 | CCOC(=O)c1ncn2c(N)c(C(=O)NC3CCCC3)nnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][Branch1][C][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][=N][C][=Ring2][Ring1][C][Ring1][#C] | c18ncn2c(N)c9nnc12.C17CCCC1.C48=O.C59=O.CC6.O46.N57 |
46674 | CC1COCC(C)N1c1nn2cc(-c3ccccc3)nc2s1 | [C][C][C][O][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=N][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][S][Ring1][=C] | c14nn2cc5nc2s1.CC1COCC(C)N14.c15ccccc1 |
46675 | CCOc1ccc(-c2cn3nc(N4CCCC4)sc3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][C][Ring1][#Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c18cn2nc7sc2n1.c16ccc8cc1.N17CCCC1.CC5.O56 |
46676 | CCOC(=O)c1ncn2c1nnc1c(OC)cc(OC)cc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][N][=N][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][=C] | c17ncn2c1nnc1c5cc6cc12.C37=O.CC4.O34.O5C.O6C |
46677 | c1ccc(-c2cn3nc(N4CCCCC4)sc3n2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][N][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][S][C][Ring1][O][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c16cn2nc5sc2n1.c1ccc6cc1.N15CCCCC1 |
46678 | COc1ccc(C(=O)C(C)n2cnc3c(=O)[nH]c(=O)n(C)c32)c(F)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][=Branch2][Ring1][N][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1] | n16cnc2c(=O)[nH]c(=O)n(C)c21.c14ccc5c(F)c1.C5(=O)C6C.CO4 |
46679 | CCOC(=O)c1ncn2c1nnc1c(=O)n(C)cnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][N][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=Ring1][Branch2][Ring1][N] | c15ncn2c1nnc1c(=O)n(C)cnc12.C35=O.CC4.O34 |
46680 | CCOC(=O)c1ncn2c1nnc1c(=O)n(C3CCCCC3)cnc12 | [C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][N][=N][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=Ring1][=N][Ring1][P] | c16ncn2c1nnc1c(=O)n7cnc12.C17CCCCC1.C46=O.CC5.O45 |
46681 | O=C(c1ncn2c(=O)n(-c3ccccc3)nnc12)N1CCCC1 | [O][=C][Branch2][Ring1][O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=Ring1][S][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | c15ncn2c(=O)n6nnc12.c16ccccc1.N14CCCC1.O=C45 |
46682 | CCCn1nnc2c(C(=O)N3CCCC3)ncn2c1=O | [C][C][C][N][N][=N][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=C][N][Ring1][N][C][Ring1][S][=O] | n16nnc2c5ncn2c1=O.N14CCCC1.CCC6.C45=O |
46683 | O=C(c1ncn2c(=O)n(C3CCCCC3)nnc12)N1CCCC1 | [O][=C][Branch2][Ring1][O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][=N][C][=Ring1][S][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | c15ncn2c(=O)n6nnc12.C16CCCCC1.N14CCCC1.O=C45 |
46684 | CCCn1nnc2c(C(=O)OCC)ncn2c1=O | [C][C][C][N][N][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][N][=C][N][Ring1][#Branch2][C][Ring1][=C][=O] | n16nnc2c5ncn2c1=O.CCC6.C35=O.O34.C4C |
46685 | CCOC(=O)c1ccc(-n2nnc3[nH]cnc3c2=O)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][N][=N][C][NH1][C][=N][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][=C][Ring1][S] | n17nnc2[nH]cnc2c1=O.c16ccc7cc1.C46=O.CC5.O45 |
46686 | CNC(=O)c1ncn2c(=O)n(-c3ccc(C)cc3)nnc12 | [C][N][C][=Branch1][C][=O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=N][C][=Ring1][P][Ring1][=C] | c15ncn2c(=O)n6nnc12.c16ccc(C)cc1.C45=O.CN4 |
46687 | O=C(c1ncn2c(=O)n(-c3ccccc3)nnc12)N1CCOCC1 | [O][=C][Branch2][Ring1][O][C][N][=C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=Ring1][S][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | c15ncn2c(=O)n6nnc12.c16ccccc1.N14CCOCC1.O=C45 |
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