ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
16590 | CCN(CC)C(=O)COc1ccc2ccc(=O)oc2c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] | c15ccc2ccc(=O)oc2c1.C3(=O)C4.N367.CC6.C7C.O45 |
16591 | CCN(CC)C(=O)COc1ccc2c(C)c(C)c(=O)oc2c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N] | c15ccc2c(C)c(C)c(=O)oc2c1.C3(=O)C4.N367.CC6.C7C.O45 |
16592 | CCN(CC)C(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][=N][C] | c15ccc2c(C)c(C)c(=O)oc2c1C.C3(=O)C4.N367.CC6.C7C.O45 |
16595 | CCN(CC)C(=O)COc1ccc2c(c1)oc(=O)c1ccccc12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | c15ccc2c(c1)oc(=O)c1ccccc12.C3(=O)C4.N367.CC6.C7C.O45 |
16596 | CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(N)=O | [C][C][C][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][O][C][=Ring1][=N][C][=C][Ring1][P][O][C][C][Branch1][C][N][=O] | c16cc2c7cc(=O)oc2cc15.c17ccccc1.C4C(N)=O.CC6.O45 |
16597 | CN1C(=O)CC(c2ccccc2)Sc2ccccc21 | [C][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | CN1C(=O)CC3Sc2ccccc21.c13ccccc1 |
16598 | CCN1C(=O)CC(c2ccccc2)Sc2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | CCN1C(=O)CC3Sc2ccccc21.c13ccccc1 |
16599 | N#Cc1cn(CC(=O)NC2CCCC2)c2ccccc12 | [N][#C][C][=C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | N#Cc1cn5c2ccccc12.C14CCCC1.C5C3=O.N34 |
16600 | COc1ccc(C2CC(=O)N(C)c3ccccc3S2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O][C] | C16CC(=O)N(C)c2ccccc2S1.c14ccc6cc15.CO4.O5C |
16601 | N#Cc1cn(CC(=O)NC2CCCCC2)c2ccccc12 | [N][#C][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | N#Cc1cn5c2ccccc12.C14CCCCC1.C5C3=O.N34 |
16602 | CCN1C(=O)CC(c2ccc(OC)c(OC)c2)Sc2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CCN1C(=O)CC5Sc2ccccc21.c15ccc3c4c1.O3C.O4C |
16605 | N#Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12 | [N][#C][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | N#Cc1cn5c2ccccc12.C16CCCO1.C5C3=O.N34.C46 |
16621 | Cc1csc(NC(=O)c2cccc(Br)c2)n1 | [C][C][=C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][Ring1][#C] | c15cccc(Br)c1.Cc1csc4n1.C35=O.N34 |
16627 | Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.C16CCCC1.C4C3=O.N45C.N36 |
16631 | Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.C16CCCCC1.C4C3=O.N45C.N36 |
16639 | Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S6(=O)=O)cc1.c17cccnc1.C4C3=O.N46C.N35.C57 |
16644 | Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccncc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S6(=O)=O)cc1.c17ccncc1.C4C3=O.N46C.N35.C57 |
16649 | Nc1cc(N)cc(-c2nc3cc4ccccc4cc3[nH]2)c1 | [N][C][=C][C][Branch1][C][N][=C][C][Branch2][Ring1][Ring2][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][NH1][Ring1][=N][=C][Ring2][Ring1][Ring2] | c15nc2cc3ccccc3cc2[nH]1.Nc1cc5cc(N)c1 |
16650 | Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.N13CCCCCC1.C4C3=O.N45C |
16651 | Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.N13CCC(C)CC1.C4C3=O.N45C |
16656 | COc1ccc(CNC(=O)c2cnc3cc(C)ccn3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][=Branch1] | c17cnc2cc(C)ccn2c1=O.c15ccc8cc1.C47=O.CO5.C68.N46 |
16657 | COc1ccccc1CNC(=O)c1cnc2cc(C)ccn2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][C][Ring1][O][=O] | c16cnc2cc(C)ccn2c1=O.c14ccccc17.C36=O.CO4.C57.N35 |
16658 | Cc1ccc(CNC(=O)c2cnc3cc(C)ccn3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][=Branch1] | c16cnc2cc(C)ccn2c1=O.Cc1ccc7cc1.C46=O.C57.N45 |
16660 | COc1ccccc1CCNC(=O)c1cnc2cc(C)ccn2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][C][Ring1][O][=O] | c16cnc2cc(C)ccn2c1=O.c14ccccc17.C7C5.C36=O.CO4.N35 |
16661 | CC1(C)Cc2nc3sc(C(N)=O)c(N)c3cc2CO1 | [C][C][Branch1][C][C][C][C][=N][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][N][C][=Ring1][=Branch2][C][=C][Ring1][=N][C][O][Ring2][Ring1][C] | CC1(C)Cc2nc3sc4c(N)c3cc2CO1.C4(N)=O |
16662 | Cc1ccn2c(=O)c(C(=O)Nc3ccccc3C)cnc2c1 | [C][C][C][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][Ring1][P][C][=Ring2][Ring1][Branch1] | Cc1ccn2c(=O)c6cnc2c1.c15ccccc1C.C46=O.N45 |
16663 | Cc1cnc(NC(=O)c2ccc(Cl)cc2)s1 | [C][C][=C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#C] | c15ccc(Cl)cc1.Cc1cnc4s1.C35=O.N34 |
16664 | CCc1ccccc1NC(=O)c1cnc2cc(C)ccn2c1=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][C][Ring1][O][=O] | c15cnc2cc(C)ccn2c1=O.c16ccccc14.C35=O.CC6.N34 |
16665 | Cc1ccn2c(=O)c(C(=O)Nc3ccccc3C(F)(F)F)cnc2c1 | [C][C][C][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][N][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][Branch2] | Cc1ccn2c(=O)c6cnc2c1.c15ccccc17.C7(F)(F)F.C46=O.N45 |
16666 | Cc1ccn2c(=O)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cnc2c1 | [C][C][C][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][N][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][Branch2] | Cc1ccn2c(=O)c6cnc2c1.c15ccc7cc1.C7(F)(F)F.C46=O.N45 |
16667 | CCOc1ccc(NC(=O)c2cnc3cc(C)ccn3c2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][Branch1] | c18cnc2cc(C)ccn2c1=O.c16ccc7cc1.C48=O.CC5.O56.N47 |
16668 | CSc1ccccc1NC(=O)c1cnc2cc(C)ccn2c1=O | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][C][Ring1][O][=O] | c15cnc2cc(C)ccn2c1=O.c16ccccc14.C35=O.CS6.N34 |
16669 | CC(=O)c1cccc(NC(=O)c2cnc3cc(C)ccn3c2=O)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][Branch1] | c17cnc2cc(C)ccn2c1=O.c16cccc5c1.CC6=O.C47=O.N45 |
16670 | Cc1ccn2c(=O)c(C(=O)Nc3cc(Cl)ccc3C)cnc2c1 | [C][C][C][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=C][N][=C][Ring2][Ring1][C][C][=Ring2][Ring1][=Branch1] | Cc1ccn2c(=O)c6cnc2c1.c15cc(Cl)ccc1C.C46=O.N45 |
16671 | Cc1ccn2c(=O)c(C(=O)Nc3ccc(C)c(Cl)c3)cnc2c1 | [C][C][C][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][N][=C][Ring2][Ring1][C][C][=Ring2][Ring1][=Branch1] | Cc1ccn2c(=O)c6cnc2c1.c15ccc(C)c(Cl)c1.C46=O.N45 |
16672 | CCOC(=O)c1[nH]c(C)c(C(=O)N(CC)Cc2ccccc2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][C][C] | c18[nH]c(C)c9c1C.c1%10ccccc1.C38=O.C49=O.N467.CC5.O35.C6C.C7%10 |
16674 | Cc1ccc(C(=O)Nc2cc3ccccc3oc2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2] | c15cc2ccccc2oc1=O.Cc1ccc6cc1.C46=O.N45 |
16675 | CCOC(=O)c1[nH]c(C)c(C(=O)N2CCCCCC2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=Ring1][#C][C] | c16[nH]c(C)c7c1C.N14CCCCCC1.C36=O.C47=O.CC5.O35 |
16676 | CCOC(=O)c1[nH]c(C)c(C(=O)N2CCCCC2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][=C][C] | c16[nH]c(C)c7c1C.N14CCCCC1.C36=O.C47=O.CC5.O35 |
16677 | COc1ccc(C(=O)Nc2cc3ccccc3oc2=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2][O][C] | c17cc2ccccc2oc1=O.c15ccc8cc16.C48=O.CO5.N47.O6C |
16678 | CCOC(=O)c1[nH]c(C)c(C(=O)N2CCCCC2C)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=Ring1][#C][C] | c16[nH]c(C)c7c1C.N14CCCCC1C.C36=O.C47=O.CC5.O35 |
16679 | CCOC(=O)c1[nH]c(C)c(C(=O)N2CCCC(C)C2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=Ring1][#C][C] | c16[nH]c(C)c7c1C.N14CCCC(C)C1.C36=O.C47=O.CC5.O35 |
16680 | CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(C)CC2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=Ring1][#C][C] | c16[nH]c(C)c7c1C.N14CCC(C)CC1.C36=O.C47=O.CC5.O35 |
16681 | Cc1cnc(NC(=O)Nc2ccc(Cl)cc2)s1 | [C][C][=C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][S] | c16ccc(Cl)cc1.Cc1cnc5s1.C34=O.N35.N46 |
16682 | CCOC(=O)c1[nH]c(C)c(C(=O)NC(C)C)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=Ring1][N][C] | c16[nH]c(C)c7c1C.C26=O.C37=O.C5(C)C.CC4.O24.N35 |
16683 | CCOC(=O)c1[nH]c(C)c(C(=O)NCC(C)C)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=Ring1][=N][C] | c16[nH]c(C)c7c1C.C5C(C)C.C26=O.C37=O.CC4.O24.N35 |
16685 | CCOC(=O)c1[nH]c(C)c(C(=O)NC(C)(C)C)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=N][C] | c16[nH]c(C)c7c1C.C5(C)(C)C.C26=O.C37=O.CC4.O24.N35 |
16686 | CCOC(=O)c1[nH]c(C)c(C(=O)NCCC(C)C)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][=Ring1][=C][C] | c16[nH]c(C)c7c1C.C5CC(C)C.C26=O.C37=O.CC4.O24.N35 |
16687 | CCOC(=O)c1[nH]c(C)c(C(=O)NC(C)COC)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][C][=Ring1][=C][C] | c17[nH]c(C)c8c1C.C6(C)C5.C27=O.C38=O.CC4.O24.N36.O5C |
16688 | O=C(Nn1cnnc1)C(Sc1ccccc1)c1ccccc1 | [O][=C][Branch1][=Branch2][N][N][C][=N][N][=C][Ring1][Branch1][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C(Nn1cnnc1)C23.c14ccccc1.c13ccccc1.S24 |
16689 | Cc1cnc(NC(=O)Nc2ccc(Br)cc2)s1 | [C][C][=C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][S] | c16ccc(Br)cc1.Cc1cnc5s1.C34=O.N35.N46 |
16690 | COc1ccc(NC(=O)Nc2ncc(C)s2)cc1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc7cc1.c16ncc(C)s1.C34=O.CO5.N37.N46 |
16691 | Cc1cnc(NC(=O)Nc2ccc(F)c(Cl)c2)s1 | [C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Ring1][P] | c16ccc(F)c(Cl)c1.Cc1cnc5s1.C34=O.N35.N46 |
16692 | CCOC(=O)c1[nH]c(C)c(C(=O)NCCC2=CCCCC2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=Ring1][P][C] | c17[nH]c(C)c8c1C.C6CC1=CCCCC1.C37=O.C48=O.CC5.O35.N46 |
16693 | CCC(Oc1ccccc1)C(=O)Nc1cc(C)ccn1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1] | c15cc(C)ccn1.CCC3C2=O.c14ccccc1.O34.N25 |
16695 | CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCCCC2C)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=Ring1][S][C] | c17[nH]c(C)c8c1C.C16CCCCC1C.C37=O.C48=O.CC5.O35.N46 |
16696 | OC(COc1ccccc1Br)Cn1cnc2ccccc21 | [O][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15cnc2ccccc21.c14ccccc1Br.OC(C3)C5.O34 |
16697 | CCOC(=O)Nc1sc(C)c(C)c1C(=O)OC | [C][C][O][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][O][C] | c16sc(C)c(C)c17.C24=O.C37=O.CC5.O25.N46.O3C |
16698 | COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccoc2C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c17ccc8c6c1.c19ccoc1C.C37=O.C48=O.C59=O.CO3.O4C.N56 |
16699 | CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccccc2Cl)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][P][C] | c17[nH]c(C)c8c1C.c19ccccc1Cl.C37=O.C48=O.CC5.O35.N46.C69 |
16700 | CCOC(=O)c1[nH]c(C)c(C(=O)NC(C)c2ccccc2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][P][C] | c17[nH]c(C)c8c1C.c19ccccc1.C37=O.C48=O.C69C.CC5.O35.N46 |
16701 | CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccccn2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][S][C] | c17[nH]c(C)c8c1C.c19ccccn1.C37=O.C48=O.CC5.O35.N46.C69 |
16702 | O=C(NCc1ccc(F)cc1)c1cccc(Br)c1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14cccc(Br)c1.O=C24.N23.C35 |
16705 | CCOC(=O)c1[nH]c(C)c(C(=O)NCc2cccs2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=Ring1][#C][C] | c17[nH]c(C)c8c1C.c19cccs1.C37=O.C48=O.CC5.O35.N46.C69 |
16706 | CCOC(=O)c1[nH]c(C)c(C(=O)N2CCc3ccccc32)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Ring1][P][C] | N15CCc2ccccc21.c17[nH]c(C)c8c1C.C47=O.C58=O.CC6.O46 |
16707 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cccc(C)c2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Ring1][S][C] | c17[nH]c(C)c8c1C.c16cccc(C)c1.C37=O.C48=O.CC5.O35.N46 |
16708 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)cc2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][S][C] | c17[nH]c(C)c8c1C.c16ccc(C)cc1.C37=O.C48=O.CC5.O35.N46 |
16709 | CCOC(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(N)=O | [C][C][O][C][=Branch1][C][=O][N][C][S][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][C][=Ring1][N][C][Branch1][C][N][=O] | c17sc8c(C)c19.C24=O.C38=O.C6(C)C.C9(N)=O.CC5.O25.N47.O36 |
16710 | COC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC | [C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C] | c16cc7ccc18.C25=O.C37=O.C48=O.CO2.N56.O3C.O4C |
16712 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccccc2F)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring1][S][C] | c17[nH]c(C)c8c1C.c16ccccc1F.C37=O.C48=O.CC5.O35.N46 |
16713 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccccc2OC)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Ring1][P][C] | c18[nH]c(C)c9c1C.c17ccccc16.C38=O.C49=O.CC5.O35.N47.O6C |
16714 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccccc2OCC)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=Ring2][Ring1][C][C] | c19[nH]c(C)c%10c1C.c18ccccc17.C39=O.C4%10=O.CC5.O35.N48.O67.C6C |
16715 | CCSc1nnnn1-c1ccc2c(c1)OCO2 | [C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.c15nnnn14.CC3.S35 |
16716 | CCc1c(C)sc(NC(=O)c2ccc(F)cc2)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S][C][Branch1][C][N][=O] | c17c(C)sc4c16.c15ccc(F)cc1.C35=O.C6(N)=O.CC7.N34 |
16717 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C(C)=O)cc2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=Ring2][Ring1][C][C] | c17[nH]c(C)c8c1C.c16ccc9cc1.C37=O.C48=O.C9(C)=O.CC5.O35.N46 |
16719 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(F)cc2F)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Ring1][P][C] | c17[nH]c(C)c8c1C.c16ccc(F)cc1F.C37=O.C48=O.CC5.O35.N46 |
16720 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(F)c(F)c2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=Ring1][P][C] | c17[nH]c(C)c8c1C.c16ccc(F)c(F)c1.C37=O.C48=O.CC5.O35.N46 |
16721 | Cc1sc(NC(=O)C2CC2c2ccccc2)c(C(N)=O)c1C | [C][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Ring2][C] | Cc1sc4c6c1C.c17ccccc1.C15CC17.C35=O.C6(N)=O.N34 |
16722 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc(F)ccc2F)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=Ring1][P][C] | c17[nH]c(C)c8c1C.c16cc(F)ccc1F.C37=O.C48=O.CC5.O35.N46 |
16723 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][P][C] | c17[nH]c(C)c8c1C.c16ccc(F)c(Cl)c1.C37=O.C48=O.CC5.O35.N46 |
16724 | COc1ccc(-c2nnn(CC(=O)Nc3cccc(F)c3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c16cccc(F)c1.c18nnn7n1.C7C4=O.CO5.N46 |
16725 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(OC)c(OC)c2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Ring2][Ring1][Ring1][C] | c19[nH]c(C)c%10c1C.c18ccc6c7c1.C39=O.C4%10=O.CC5.O35.N48.O6C.O7C |
16726 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(OC)cc2OC)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=Ring2][Ring1][Ring1][C] | c19[nH]c(C)c%10c1C.c18ccc6cc17.C39=O.C4%10=O.CC5.O35.N48.O6C.O7C |
16727 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc3c(c2)OCCO3)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Ring2][Ring1][Ring1][C] | c17ccc2c(c1)OCCO2.c18[nH]c(C)c9c1C.C48=O.C59=O.CC6.O46.N57 |
16728 | CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)c(F)c2)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][C][=Ring1][P][C] | c17[nH]c(C)c8c1C.c16ccc(C)c(F)c1.C37=O.C48=O.CC5.O35.N46 |
16730 | CCOC(=O)c1c(C)c(C(=O)N(CC)C2CCCCC2)c(C)n1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring2][Ring1][C][C] | c18c(C)c9c(C)n1C.C17CCCCC1.C38=O.C49=O.N467.CC5.O35.C6C |
16731 | CCOC(=O)c1c(C)c(C(=O)N2CCCCC2)c(C)n1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][#C][C] | c16c(C)c7c(C)n1C.N14CCCCC1.C36=O.C47=O.CC5.O35 |
16732 | CCOC(=O)c1c(C)c(C(=O)N2CCC(C)CC2)c(C)n1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring1][S][C] | c16c(C)c7c(C)n1C.N14CCC(C)CC1.C36=O.C47=O.CC5.O35 |
16733 | CCOC(=O)c1c(C)c(C(=O)NC(C)CC)c(C)n1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Branch1][C][C][N][Ring1][=C][C] | c16c(C)c7c(C)n1C.C5(C)CC.C26=O.C37=O.CC4.O24.N35 |
16734 | CCOC(=O)c1c(C)c(C(=O)NCCC(C)C)c(C)n1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][#C][C] | c16c(C)c7c(C)n1C.C5CC(C)C.C26=O.C37=O.CC4.O24.N35 |
16735 | Cc1sc(NC(=O)c2ccccc2F)c(C(N)=O)c1C | [C][C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][C][C] | Cc1sc4c6c1C.c15ccccc1F.C35=O.C6(N)=O.N34 |
16737 | O=C(NCc1cccnc1)C(Sc1ccccc1)c1ccccc1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cccnc1.c17ccccc1.c16ccccc1.O=C2C46.N23.C35.S47 |
16739 | CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2C)c(C)n1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Branch1][C][C][N][Ring1][P][C] | c17c(C)c8c(C)n1C.C16CCCCC1C.C37=O.C48=O.CC5.O35.N46 |
16740 | COC(=O)c1cc(NC(=O)c2ccncc2)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1] | c17cc6cc9c1.c18ccncc1.C37=O.C58=O.C49=O.CO3.N56.O4C |
16741 | CCOC(=O)c1c(C)c(C(=O)NCc2ccccc2)c(C)n1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][P][C] | c17c(C)c8c(C)n1C.c19ccccc1.C37=O.C48=O.CC5.O35.N46.C69 |
16743 | CCOC(=O)c1c(C)c(C(=O)NCc2ccc(F)cc2)c(C)n1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring2][Ring1][C][C] | c17c(C)c8c(C)n1C.c19ccc(F)cc1.C37=O.C48=O.CC5.O35.N46.C69 |
16744 | CCOC(=O)c1c(C)c(C(=O)NCc2ccc(OC)cc2)c(C)n1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][C][C][N][Ring2][Ring1][Ring1][C] | c18c(C)c9c(C)n1C.c1%10ccc6cc1.C38=O.C49=O.CC5.O35.N47.C7%10.O6C |
16745 | CCOC(=O)c1c(C)c(C(=O)NCc2ccccc2OC)c(C)n1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][C][C][N][Ring2][Ring1][Ring1][C] | c18c(C)c9c(C)n1C.c1%10ccccc16.C38=O.C49=O.CC5.O35.N47.C7%10.O6C |
16746 | CCOC(=O)c1c(C)c(C(=O)NCc2ccc(C)cc2)c(C)n1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring2][Ring1][C][C] | c17c(C)c8c(C)n1C.c19ccc(C)cc1.C37=O.C48=O.CC5.O35.N46.C69 |
16747 | CCOC(=O)c1c(C)c(C(=O)NC(C)c2ccccc2)c(C)n1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring2][Ring1][C][C] | c17c(C)c8c(C)n1C.c19ccccc1.C37=O.C48=O.C69C.CC5.O35.N46 |
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