ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1930627 | COc1ccccc1C(CNC(=O)Nc1ccccc1C)OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C] | c15ccccc18.c17ccccc1C.C48C6.C23=O.CO5.N26.N37.O4C |
1930629 | COc1ccccc1C(CNC(=O)Nc1ccc(C)cc1)OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C] | c15ccccc18.c17ccc(C)cc1.C48C6.C23=O.CO5.N26.N37.O4C |
1930630 | COc1ccccc1C(CNC(=O)Nc1ccc(F)cc1)OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C] | c15ccccc18.c17ccc(F)cc1.C48C6.C23=O.CO5.N26.N37.O4C |
1930631 | COc1cccc(NC(=O)NCC(OC)c2ccccc2OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][=Branch1] | c16cccc9c1.c1%10ccccc17.C8C5%10.C34=O.CO6.N39.N48.O5C.O7C |
1930632 | COc1ccc(NC(=O)NCC(OC)c2ccccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][=Branch1] | c16ccc9cc1.c1%10ccccc17.C8C5%10.C34=O.CO6.N39.N48.O5C.O7C |
1930633 | COc1ccccc1NC(=O)NCC(OC)c1ccccc1OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c15ccccc18.c19ccccc16.C7C49.C23=O.CO5.N28.N37.O4C.O6C |
1930634 | COc1ccccc1C(CNC(=O)Nc1c(F)cccc1F)OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][O][C] | c17c(F)cccc1F.c15ccccc18.C48C6.C23=O.CO5.N26.N37.O4C |
1930635 | COC(CNC(=O)c1cccnc1)c1ccc(C)s1 | [C][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15cccnc1.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1930636 | COC(CNC(=O)c1ccccc1C)c1ccc(C)s1 | [C][O][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15ccccc1C.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1930637 | COC(CNC(=O)c1cccc(C)c1)c1ccc(C)s1 | [C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15cccc(C)c1.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1930638 | COC(CNC(=O)c1ccc(C)cc1)c1ccc(C)s1 | [C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15ccc(C)cc1.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1930639 | COC(CNC(=O)c1ccc(F)cc1)c1ccc(C)s1 | [C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15ccc(F)cc1.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1930640 | COC(CNC(=O)c1cccc(F)c1)c1ccc(C)s1 | [C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15cccc(F)c1.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1930643 | COc1ccc(C(=O)NCC(OC)c2ccc(C)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc7cc1.c18ccc(C)s1.C6C48.C37=O.CO5.N36.O4C |
1930645 | COc1cccc(C(=O)NCC(OC)c2ccc(C)s2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c15cccc7c1.c18ccc(C)s1.C6C48.C37=O.CO5.N36.O4C |
1930646 | COC(CNC(=O)c1ccc(Cl)cc1)c1ccc(C)s1 | [C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15ccc(Cl)cc1.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1930647 | COC(CNC(=O)c1cccc(Cl)c1)c1ccc(C)s1 | [C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15cccc(Cl)c1.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1930648 | COC(CNC(=O)c1c(F)cccc1F)c1ccc(C)s1 | [C][O][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15c(F)cccc1F.c16ccc(C)s1.C36C4.C25=O.CO3.N24 |
1930649 | COC(CNC(=O)c1ccc(N(C)C)cc1)c1ccc(C)s1 | [C][O][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c16ccc5cc1.c17ccc(C)s1.C37C4.C26=O.N5(C)C.CO3.N24 |
1930650 | CCOc1ccc(C(=O)NCC(OC)c2ccc(C)s2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc8cc1.c19ccc(C)s1.C7C59.C38=O.CC4.O46.N37.O5C |
1930651 | COC(CNC(=O)c1cccnc1SC)c1ccc(C)s1 | [C][O][C][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15cccnc17.c16ccc(C)s1.C36C4.C25=O.CO3.N24.S7C |
1930652 | COC(CNC(=O)c1cc(-c2ccco2)on1)c1ccc(C)s1 | [C][O][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c16cc8on1.c17ccc(C)s1.c18ccco1.C47C5.C36=O.CO4.N35 |
1930653 | COc1cc(OC)cc(C(=O)NCC(OC)c2ccc(C)s2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c15cc6cc8c1.c19ccc(C)s1.C7C49.C38=O.CO5.O6C.N37.O4C |
1930654 | COc1cccc(C(=O)NCC(OC)c2ccc(C)s2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][O][C] | c15cccc8c16.c19ccc(C)s1.C7C49.C38=O.CO5.N37.O4C.O6C |
1930655 | COc1ccc(C(=O)NCC(OC)c2ccc(C)s2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15ccc8c6c1.c19ccc(C)s1.C7C49.C38=O.CO5.N37.O4C.O6C |
1930656 | COc1ccc(C(=O)NCC(OC)c2ccc(C)s2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c15ccc8cc16.c19ccc(C)s1.C7C49.C38=O.CO5.N37.O4C.O6C |
1930657 | CCOc1ncccc1C(=O)NCC(OC)c1ccc(C)s1 | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15ncccc17.c18ccc(C)s1.C6C48.C27=O.CC3.O35.N26.O4C |
1930658 | CCc1ccc(S(=O)(=O)NCC(OC)c2ccc(C)s2)s1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][S][Ring2][Ring1][Ring1] | c16ccc(S5(=O)=O)s1.c17ccc(C)s1.C4C37.CC6.N45.O3C |
1930659 | COC(CNC(=O)c1cnccn1)c1cccc(F)c1 | [C][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.c15cnccn1.C36C4.C25=O.CO3.N24 |
1930660 | COC(CNC(=O)c1cc2ccccc2o1)c1cccc(F)c1 | [C][O][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cc2ccccc2o1.c17cccc(F)c1.C47C5.C36=O.CO4.N35 |
1930661 | COC(CNC(=O)CCc1c(C)noc1C)c1cccc(F)c1 | [C][O][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16c(C)noc1C.c15cccc(F)c1.C2(=O)CC6.C35C4.CO3.N24 |
1930662 | COC(CNC(=O)c1nc2ccccc2s1)c1cccc(F)c1 | [C][O][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16nc2ccccc2s1.c17cccc(F)c1.C47C5.C36=O.CO4.N35 |
1930663 | COc1cccc2cc(C(=O)NCC(OC)c3cccc(F)c3)oc12 | [C][O][C][=C][C][=C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1] | c16cccc2cc8oc12.c19cccc(F)c1.C7C59.C48=O.CO6.N47.O5C |
1930664 | COC(CNC(=O)C1(c2cccs2)CC1)c1cccc(F)c1 | [C][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c17cccc(F)c1.c18cccs1.C47C5.C168CC1.C36=O.CO4.N35 |
1930665 | COC(CNC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(F)c1 | [C][O][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c18ccc(F)cc1.c17cccc(F)c1.C47C5.C168CC1.C36=O.CO4.N35 |
1930666 | COc1ccccc1C1(C(=O)NCC(OC)c2cccc(F)c2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][P] | c15ccccc19.c18cccc(F)c1.C179CC1.C6C48.C37=O.CO5.N36.O4C |
1930667 | COC(CNC(=O)c1cc(C2CC2)on1)c1cccc(F)c1 | [C][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c17cccc(F)c1.c16cc8on1.C47C5.C36=O.C18CC1.CO4.N35 |
1930668 | COC(CNC(=O)Nc1ccccc1)c1cccc(F)c1 | [C][O][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c17cccc(F)c1.c16ccccc1.C47C5.C23=O.CO4.N25.N36 |
1930669 | COC(CNC(=O)Nc1ccc(F)cc1)c1cccc(F)c1 | [C][O][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16ccc(F)cc1.c17cccc(F)c1.C47C5.C23=O.CO4.N25.N36 |
1930670 | COC(CNC(=O)Nc1ccccc1F)c1cccc(F)c1 | [C][O][C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16ccccc1F.c17cccc(F)c1.C47C5.C23=O.CO4.N25.N36 |
1930671 | COC(CNC(=O)NCCc1ccccc1)c1cccc(F)c1 | [C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c17cccc(F)c1.c18ccccc1.C47C5.C23=O.C6C8.CO4.N25.N36 |
1930673 | COc1ccc(NC(=O)NCC(OC)c2cccc(F)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.c19cccc(F)c1.C7C59.C34=O.CO6.N38.N47.O5C |
1930674 | COc1ccccc1NC(=O)NCC(OC)c1cccc(F)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15ccccc17.c18cccc(F)c1.C6C48.C23=O.CO5.N27.N36.O4C |
1930675 | COC(CNC(=O)Nc1c(F)cccc1F)c1cccc(F)c1 | [C][O][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16c(F)cccc1F.c17cccc(F)c1.C47C5.C23=O.CO4.N25.N36 |
1930680 | COC(CNC(=O)c1cnccn1)c1ccccc1C | [C][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c16ccccc1C.c15cnccn1.C36C4.C25=O.CO3.N24 |
1930681 | COC(CNC(=O)CCc1c(C)noc1C)c1ccccc1C | [C][O][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c16c(C)noc1C.c15ccccc1C.C2(=O)CC6.C35C4.CO3.N24 |
1930682 | COC(CNC(=O)c1nc2ccccc2s1)c1ccccc1C | [C][O][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c16nc2ccccc2s1.c17ccccc1C.C47C5.C36=O.CO4.N35 |
1930683 | COC(CNC(=O)C1COc2ccccc2O1)c1ccccc1C | [C][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | C16COc2ccccc2O1.c17ccccc1C.C47C5.C36=O.CO4.N35 |
1930684 | COC(CNC(=O)C1(c2cccs2)CC1)c1ccccc1C | [C][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c17ccccc1C.c18cccs1.C47C5.C168CC1.C36=O.CO4.N35 |
1930685 | COc1ccccc1C1(C(=O)NCC(OC)c2ccccc2C)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][P] | c15ccccc19.c18ccccc1C.C179CC1.C6C48.C37=O.CO5.N36.O4C |
1930686 | COC(CNC(=O)Nc1ccccc1)c1ccccc1C | [C][O][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c17ccccc1C.c16ccccc1.C47C5.C23=O.CO4.N25.N36 |
1930687 | COc1cccc(NC(=O)NCC(OC)c2ccccc2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c16cccc8c1.c19ccccc1C.C7C59.C34=O.CO6.N38.N47.O5C |
1930688 | COc1ccc(NC(=O)NCC(OC)c2ccccc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.c19ccccc1C.C7C59.C34=O.CO6.N38.N47.O5C |
1930689 | COc1ccc(NC(=O)NCC(OC)c2ccccc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch1][O][C] | c16ccc9cc17.c1%10ccccc1C.C8C5%10.C34=O.CO6.N39.N48.O5C.O7C |
1930690 | COc1cc(NC(=O)NCC(OC)c2ccccc2C)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | c16cc7cc9c1.c1%10ccccc1C.C8C5%10.C34=O.CO6.N39.N48.O5C.O7C |
1930691 | COc1cccc(NC(=O)NCC(OC)c2ccccc2C)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O][C] | c16cccc9c17.c1%10ccccc1C.C8C5%10.C34=O.CO6.N39.N48.O5C.O7C |
1930692 | COc1ccc(NC(=O)NCC(OC)c2ccccc2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | c16ccc9c7c1.c1%10ccccc1C.C8C5%10.C34=O.CO6.N39.N48.O5C.O7C |
1930693 | COc1cccc(C(CNC(=O)c2cnccn2)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Ring1] | c15cccc8c1.c17cnccn1.C48C6.C37=O.CO5.N36.O4C |
1930694 | COc1cccc(C(CNC(=O)c2cc3ccccc3o2)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][O][C][=C][Ring2][Ring1][=Branch1] | c18cc2ccccc2o1.c16cccc9c1.C59C7.C48=O.CO6.N47.O5C |
1930695 | COc1cccc(C(CNC(=O)c2nc3ccccc3s2)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][O][C][=C][Ring2][Ring1][=Branch1] | c18nc2ccccc2s1.c16cccc9c1.C59C7.C48=O.CO6.N47.O5C |
1930696 | COc1cccc(C(CNC(=O)C2(c3cccs3)CC2)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Branch1] | c16cccc9c1.c1%10cccs1.C59C7.C18%10CC1.C48=O.CO6.N47.O5C |
1930697 | COc1cccc(C(CNC(=O)C2(c3ccc(F)cc3)CC2)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][#Branch1] | c16cccc9c1.c1%10ccc(F)cc1.C59C7.C18%10CC1.C48=O.CO6.N47.O5C |
1930698 | COc1cccc(C(CNC(=O)c2cc(C3CC3)on2)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][O][C][=C][Ring2][Ring1][Branch1] | c16cccc9c1.c18cc%10on1.C59C7.C48=O.C1%10CC1.CO6.N47.O5C |
1930699 | COc1cccc(C(CNC(=O)Nc2ccccc2)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Ring2] | c16cccc9c1.c18ccccc1.C59C7.C34=O.CO6.N37.N48.O5C |
1930700 | COc1cccc(C(CNC(=O)Nc2ccccc2C)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][Ring2][Ring1][Branch1] | c16cccc9c1.c18ccccc1C.C59C7.C34=O.CO6.N37.N48.O5C |
1930701 | COc1cccc(C(CNC(=O)Nc2cccc(C)c2)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Branch1] | c16cccc9c1.c18cccc(C)c1.C59C7.C34=O.CO6.N37.N48.O5C |
1930702 | COc1cccc(C(CNC(=O)Nc2ccc(C)cc2)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Branch1] | c16cccc9c1.c18ccc(C)cc1.C59C7.C34=O.CO6.N37.N48.O5C |
1930703 | COc1cccc(C(CNC(=O)Nc2ccc(F)cc2)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Branch1] | c16cccc9c1.c18ccc(F)cc1.C59C7.C34=O.CO6.N37.N48.O5C |
1930704 | COc1cccc(C(CNC(=O)Nc2ccccc2F)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][=C][Ring2][Ring1][Branch1] | c16cccc9c1.c18ccccc1F.C59C7.C34=O.CO6.N37.N48.O5C |
1930705 | COc1cccc(NC(=O)NCC(OC)c2cccc(OC)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][Ring2][Ring1][=Branch1] | c16cccc9c1.c1%10cccc7c1.C8C5%10.C34=O.CO6.N39.N48.O5C.O7C |
1930706 | COc1ccc(NC(=O)NCC(OC)c2cccc(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] | c16ccc9cc1.c1%10cccc7c1.C8C5%10.C34=O.CO6.N39.N48.O5C.O7C |
1930707 | COc1cccc(C(CNC(=O)Nc2ccccc2OC)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][C][=C][Ring2][Ring1][=Branch1] | c16cccc%10c1.c19ccccc17.C5%10C8.C34=O.CO6.N38.N49.O7C.O5C |
1930708 | COc1cccc(C(CNC(=O)Nc2c(F)cccc2F)OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][O][C][=C][Ring2][Ring1][=Branch1] | c18c(F)cccc1F.c16cccc9c1.C59C7.C34=O.CO6.N37.N48.O5C |
1930709 | COC(C)(CNC(=O)c1cnccn1)c1ccccc1F | [C][O][C][Branch1][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.c15cnccn1.C36(C)C4.C25=O.CO3.N24 |
1930710 | COC(C)(CNC(=O)c1nc2ccccc2s1)c1ccccc1F | [C][O][C][Branch1][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16nc2ccccc2s1.c17ccccc1F.C47(C)C5.C36=O.CO4.N35 |
1930711 | COC(C)(CNC(=O)C1(c2cccs2)CC1)c1ccccc1F | [C][O][C][Branch1][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17ccccc1F.C47(C)C5.c18cccs1.C168CC1.C36=O.CO4.N35 |
1930712 | CCC(CNC(=O)c1cnccn1)(OC)c1ccccc1 | [C][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | CCC36C4.c15cnccn1.c16ccccc1.C25=O.N24.O3C |
1930713 | CCC(CNC(=O)c1cc(C2CC2)on1)(OC)c1ccccc1 | [C][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | CCC47C5.c16cc8on1.c17ccccc1.C36=O.C18CC1.N35.O4C |
1930714 | COC(C)(CNC(=O)c1cnccn1)c1cccc(Cl)c1 | [C][O][C][Branch1][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c16cccc(Cl)c1.c15cnccn1.C36(C)C4.C25=O.CO3.N24 |
1930715 | COC(C)(CNC(=O)c1cc(C2CC2)on1)c1cccc(Cl)c1 | [C][O][C][Branch1][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c17cccc(Cl)c1.c16cc8on1.C47(C)C5.C36=O.C18CC1.CO4.N35 |
1930716 | COC1(CNC(=O)c2ccncc2)C2CC3CC(C2)CC1C3 | [C][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][C][Ring1][#Branch1] | C158C2CC3CC(C2)CC1C3.c17ccncc1.C47=O.CO5.C68.N46 |
1930717 | CC(C)NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][C][Ring1][P] | C17CCN6CC1.c16cc8ncn1.n18cncn1.CC5C.C47=O.N45 |
1930718 | CC(C)CNC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][C][Ring1][P] | C17CCN6CC1.c16cc8ncn1.n18cncn1.CC(C)C5.C47=O.N45 |
1930719 | CCC(C)NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][C][Ring1][P] | C17CCN6CC1.c16cc8ncn1.n18cncn1.CCC5C.C47=O.N45 |
1930720 | CCCCNC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1 | [C][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][C][Ring1][P] | C17CCN6CC1.c16cc8ncn1.n18cncn1.CCCC5.C47=O.N45 |
1930721 | O=C(NC1CCCC1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][C][Ring1][P] | C17CCN5CC1.c15cc8ncn1.C16CCCC1.n18cncn1.O=C47.N46 |
1930722 | CCCNC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1 | [C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][C][Ring1][P] | C17CCN6CC1.c16cc8ncn1.n18cncn1.CCC5.C47=O.N45 |
1930723 | CC(NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1)C(N)=O | [C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][C][Ring1][P][C][Branch1][C][N][=O] | C17CCN6CC1.c16cc8ncn1.CC5C(N)=O.n18cncn1.C47=O.N45 |
1930725 | CC(C)CNC(=O)C1CCCN(c2cc(-n3cncn3)ncn2)C1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][Ring1][P] | C17CCCN6C1.c16cc8ncn1.n18cncn1.CC(C)C5.C47=O.N45 |
1930726 | CCC(C)NC(=O)C1CCCN(c2cc(-n3cncn3)ncn2)C1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][Ring1][P] | C17CCCN6C1.c16cc8ncn1.n18cncn1.CCC5C.C47=O.N45 |
1930727 | CCCCNC(=O)C1CCCN(c2cc(-n3cncn3)ncn2)C1 | [C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][Ring1][P] | C17CCCN6C1.c16cc8ncn1.n18cncn1.CCCC5.C47=O.N45 |
1930728 | CCCNC(=O)C1CCCN(c2cc(-n3cncn3)ncn2)C1 | [C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][Ring1][P] | C17CCCN6C1.c16cc8ncn1.n18cncn1.CCC5.C47=O.N45 |
1930729 | O=C(NCC1CC1)C1CCCN(c2cc(-n3cncn3)ncn2)C1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][Ring1][P] | C17CCCN6C1.c16cc9ncn1.n19cncn1.O=C47.C18CC1.N45.C58 |
1930730 | CC(NC(=O)C1CCCN(c2cc(-n3cncn3)ncn2)C1)C(N)=O | [C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][Ring1][P][C][Branch1][C][N][=O] | C17CCCN6C1.c16cc8ncn1.CC5C(N)=O.n18cncn1.C47=O.N45 |
1930731 | O=C(C1CCN(c2ccc(-n3cncn3)nn2)CC1)N1CCCCC1 | [O][=C][Branch2][Ring1][=N][C][C][C][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][N][=N][Ring1][O][C][C][Ring1][P][N][C][C][C][C][C][Ring1][=Branch1] | C16CCN5CC1.c15ccc7nn1.N14CCCCC1.n17cncn1.O=C46 |
1930733 | O=C(C1CCCC1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 | [O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch1][P][C][=N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=C][S][Ring1][#Branch2][C][C][Ring1][S] | N14CCN5CC1.c15nc7cs1.C16CCCC1.c17ccsc1.O=C46 |
1930734 | CC1CCN(C(=O)CSc2nnc(C3CCCCC3)n2N)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][O][N][C][C][Ring2][Ring1][=Branch1] | CC1CCN4CC1.c16nnc7n1N.C17CCCCC1.C4(=O)C5.S56 |
1930735 | COCc1cc(C)c2c(N)c(C(=O)C3CC3)sc2n1 | [C][O][C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][N][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][Ring1][O][=N][Ring1][S] | c17cc(C)c2c(N)c5sc2n1.C56=O.C16CC1.CO4.C47 |
1930736 | Cn1ccn(-c2cc(O)c(Cl)cc2Cl)c1=O | [C][N][C][=C][N][Branch1][S][C][=C][C][Branch1][C][O][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][Ring1][=C][=O] | c13cc(O)c(Cl)cc1Cl.Cn1ccn3c1=O |
1930737 | O=C1COc2ccc(C(=O)Nc3cccc(O)c3)cc2N1 | [O][=C][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring1][S][N][Ring2][Ring1][Ring2] | O=C1COc2ccc6cc2N1.c15cccc(O)c1.C46=O.N45 |
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