ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
15560 | FC(F)(F)c1cc(-c2cccs2)c2nncn2n1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=N][N][=C][N][Ring1][Branch1][N][=Ring1][=C] | c13cc4c2nncn2n1.c14cccs1.FC3(F)F |
15561 | CN1C(N)=NC(=O)C12COC(c1cccnc1)OC2 | [C][N][C][Branch1][C][N][=N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Ring1][N] | CN1C(N)=NC(=O)C12COC3OC2.c13cccnc1 |
15562 | O=C(Nc1cccc(Cl)c1Cl)c1cnccn1 | [O][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][N][=C][C][=N][Ring1][=Branch1] | c13cccc(Cl)c1Cl.c14cnccn1.O=C24.N23 |
15563 | COC(=O)C1=C(C)NC(=O)CC1c1ccccc1F | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C2(=O)C1=C(C)NC(=O)CC13.c13ccccc1F.CO2 |
15564 | COC(=O)C1=C(C)NC(=O)CC1c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)CC13.c13ccc(F)cc1.CO2 |
15565 | COC(=O)C1=C(C)NC(=O)CC1c1ccccc1Br | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | C2(=O)C1=C(C)NC(=O)CC13.c13ccccc1Br.CO2 |
15566 | CCn1c(C(O)c2ccccc2)nc2ccccc21 | [C][C][N][C][Branch1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n13c4nc2ccccc21.c15ccccc1.C45O.CC3 |
15567 | COc1ccc(C2CC(=O)c3cnc(N)nc3C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][Ring1][N][C][=C][Ring2][Ring1][C][O][C] | C16CC(=O)c2cnc(N)nc2C1.c14ccc6cc15.CO4.O5C |
15568 | O=C(Cc1ccccc1)Nc1ncc2c(n1)CC(c1ccco1)CC2=O | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][=O] | c14ncc2c(n1)CC6CC2=O.c15ccccc1.c16ccco1.O=C3C5.N34 |
15569 | COC(=O)C1=C(C)NC(=O)CC1c1c(Cl)cccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | C2(=O)C1=C(C)NC(=O)CC13.c13c(Cl)cccc1Cl.CO2 |
15570 | CC(=O)Nc1sc2c(c1C(N)=O)CCC(C)C2 | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Branch1][C][C][C][Ring1][O] | c14sc2c(c15)CCC(C)C2.CC3=O.C5(N)=O.N34 |
15571 | Cc1ccc(C(NC(N)=O)c2cccc(C)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16cccc(C)c1.C456.C3(N)=O.N34 |
15573 | COC(=O)C1=C(C)NC(=O)CC1c1c(F)cccc1Cl | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | C2(=O)C1=C(C)NC(=O)CC13.c13c(F)cccc1Cl.CO2 |
15574 | CCOc1ccc2c(c1)ncn2Cc1ccccc1 | [C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2c(c1)ncn25.c16ccccc1.CC3.O34.C56 |
15575 | O=C(Nc1c2c(nc3c1CCC3)CCCC2)c1ccncc1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=Branch1][O][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][C][Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15c2c(nc3c1CCC3)CCCC2.c16ccncc1.O=C46.N45 |
15576 | O=c1c(=Cc2c[nH]c3ccccc23)sc2n1CCN=2 | [O][=C][C][=Branch1][#C][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][S][C][N][Ring1][#C][C][C][N][=Ring1][Branch1] | O=c1c(=Cc2c[nH]c3ccccc23)sc2n1CCN=2 |
15577 | COC(=O)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] | c15ccc2c(c1)CN4C2.c14ccc(F)cc1.C35=O.CO3 |
15578 | O=C(CCC1CCCC1)N1CCN(C(=O)c2cccnc2)CC1 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C] | N13CCN4CC1.c15cccnc1.O=C3CC6.C16CCCC1.C45=O |
15579 | CC1(C)CC(=O)c2sc(N3CCCCC3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][=Ring1][O][C][Ring1][P] | CC1(C)CC(=O)c2sc4nc2C1.N14CCCCC1 |
15580 | COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][C][Cl] | c13cc(S5(=O)=O)c4cc1Cl.N15CCCCCC1.CO3.O4C |
15581 | COc1cc(S(=O)(=O)N2CCOCC2)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Cl] | c13cc(S5(=O)=O)c4cc1Cl.N15CCOCC1.CO3.O4C |
15582 | CC1(C)CNC(=O)c2sc(N3CCOCC3)nc2C1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=Ring1][O][C][Ring2][Ring1][C] | CC1(C)CNC(=O)c2sc4nc2C1.N14CCOCC1 |
15583 | O=C(Nc1ccc2nccnc2c1)N1CCCCCC1 | [O][=C][Branch1][S][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1] | c15ccc2nccnc2c1.N14CCCCCC1.O=C34.N35 |
15584 | COc1ccc(Cl)cc1S(=O)(=O)N1CCCCC1C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C] | c12ccc(Cl)cc1S3(=O)=O.N13CCCCC1C.CO2 |
15586 | COC(=O)CSc1nc2ccc(N)cc2s1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][#Branch2] | c15nc2ccc(N)cc2s1.C3(=O)C4.CO3.S45 |
15587 | COc1ccc(NC(=O)c2ccco2)cc1Cl | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][Cl] | c14ccc5cc1Cl.c16ccco1.C36=O.CO4.N35 |
15588 | O=C(N1CCOCC1)C1(c2ccccc2)CCCC1 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][O] | N13CCOCC1.C145CCCC1.c15ccccc1.O=C34 |
15589 | CC(=O)N1c2ccccc2CCc2ccc(N)cc21 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Ring1][S] | N13c2ccccc2CCc2ccc(N)cc21.CC3=O |
15590 | Cc1nc(-n2cc(F)c(=O)[nH]c2=O)c2nc(C)oc2n1 | [C][C][=N][C][Branch1][S][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][=C][N][=C][Branch1][C][C][O][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1nc3c2nc(C)oc2n1.n13cc(F)c(=O)[nH]c1=O |
15592 | CC1(C)CC(=O)c2sc(N3CCOCC3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=Ring1][O][C][Ring1][P] | CC1(C)CC(=O)c2sc4nc2C1.N14CCOCC1 |
15593 | O=C1NCCCc2nc(N3CCOCC3)sc21 | [O][=C][N][C][C][C][C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][S][C][=Ring1][O][Ring1][S] | O=C1NCCCc2nc4sc21.N14CCOCC1 |
15594 | CCOC(=O)C1CCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][#C][C][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | c17ccc(C#CC(C)(C)O)cc1.C16CCN4CC1.C36=O.C47=O.CC5.O35 |
15596 | CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2C1c1ccncc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | C4(=O)C1=C(N)Oc2ccc3ccccc3c2C1c1ccncc1.CC5.O45 |
15597 | NC(=O)C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring1][=Branch1] | c16ccc(C#Cc2ccccc2)cc1.C15CCN4CC1.NC5=O.C46=O |
15598 | Nc1c(NCc2ccccc2)c2ccccc2sc1=O | [N][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring2][Ring1][C][=O] | Nc1c4c2ccccc2sc1=O.c15ccccc1.N34.C35 |
15599 | Cc1cc(C)c(C(N)=O)c(Nc2ccc(Cl)cc2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)c5c3n1.c14ccc(Cl)cc1.C5(N)=O.N34 |
15600 | CCC(=O)N1CCN(c2cc(C)c(C(C)=O)cc2F)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][F][C][C][Ring1][P] | c14cc(C)c5cc1F.N13CCN4CC1.CCC3=O.C5(C)=O |
15601 | CC(=O)c1cc(-c2ccccc2)[nH]c1N1CCOCC1 | [C][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c14cc5[nH]c13.c15ccccc1.N13CCOCC1.CC4=O |
15602 | COc1ccc2[nH]c(C(=O)N3CCOCC3)cc2c1 | [C][O][C][=C][C][=C][NH1][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Ring1][=N][=C][Ring1][P] | c15ccc2[nH]c6cc2c1.N14CCOCC1.C46=O.CO5 |
15603 | COc1ccc(OC)c(N2Cc3ccc(OC)c(OC)c3C2=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring1][=N][=O][=C][Ring2][Ring1][=Branch1] | N18Cc2ccc6c7c2C1=O.c14ccc5c8c1.CO4.O5C.O6C.O7C |
15604 | CCc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=C][Branch1][C][C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][Ring1][N][C][=C][Ring2][Ring1][C] | n15nc(C)c2c(C)cc(=O)oc21.c14ccc5cc1.CC4 |
15605 | CC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S] | c15ccc4cc1.c16ccccc1F.CC5=O.C36=O.N34 |
15608 | Fc1ccc(NCc2n[nH]nc2-c2ccccc2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][C][N][C][C][=N][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Fc1ccc4cc1.c15n[nH]nc16.c16ccccc1.N34.C35 |
15609 | Oc1ccccc1OCc1nc2ccccc2s1 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c15nc2ccccc2s1.Oc1ccccc14.O34.C35 |
15612 | COc1ccc(C(=O)COc2ccccc2OC)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][C] | c14ccc7cc1.c15ccccc16.C7(=O)C3.CO4.O35.O6C |
15613 | CC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(C)cc1.c14ccccc15.CC2=O.N24.N35 |
15617 | COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c13ccc(S5(=O)=O)cc14.N15CCC(C)CC1.CO3.O4C |
15618 | COc1ccc(C(=O)NC(C)C2CC3CCC2C3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][Ring2][Ring1][C] | c15ccc7cc1.C18CC2CCC1C2.C47=O.C68C.CO5.N46 |
15622 | Cc1ccnc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | S3(=O)(=O)c1c(C)cc(C)cc1C.Cc1ccnc4c1.N34 |
15623 | O=C(Nc1ccc(C(F)(F)F)oc1=O)c1ccccc1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc5oc1=O.c14ccccc1.C5(F)(F)F.O=C24.N23 |
15624 | COc1cc(C(=O)NCC(=O)n2nc(C)cc2C)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | C7C(=O)n1nc(C)cc1C.c14cc8cc5c16.C38=O.CO4.N37.O5C.O6C |
15625 | O=C(Cn1nnc2ccccc21)c1ccc(Br)cc1 | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | n14nnc2ccccc21.c13ccc(Br)cc1.O=C3C4 |
15626 | Cc1ccc(C(=O)Cn2nnc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | n15nnc2ccccc21.Cc1ccc4cc1.C4(=O)C5 |
15627 | Nc1nonc1C(=O)OCC(=O)c1ccc(Br)cc1 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(Br)cc1.Nc1nonc14.C3C5=O.C24=O.O23 |
15628 | Oc1ccc(COCc2ccccc2)c2cccnc12 | [O][C][=C][C][=C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | Oc1ccc5c2cccnc12.c16ccccc1.C35.O34.C46 |
15629 | OCc1nc2ccccc2n1Cc1ccccc1F | [O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14nc2ccccc2n13.c15ccccc1F.OC4.C35 |
15630 | Cn1c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | Cn1c(=O)n3c2ccccc21.c14ccc(Cl)cc1.C34 |
15631 | Cc1ccc(OCCn2c(=O)n(C)c3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | n16c(=O)n(C)c2ccccc21.Cc1ccc5cc1.C4C6.O45 |
15632 | Cc1cccc(OCCn2c(=O)n(C)c3ccccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][Ring2] | n16c(=O)n(C)c2ccccc21.Cc1cccc5c1.C4C6.O45 |
15633 | Cc1ccccc1OCCn1c(N)nc2ccccc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][Branch1][C][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n15c(N)nc2ccccc21.Cc1ccccc14.C3C5.O34 |
15635 | Nc1nc2ccccc2n1CCOc1ccccc1 | [N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nc2ccccc2n15.c14ccccc1.C5C3.O34 |
15636 | Cn1c(=O)n(Cc2ccccc2Cl)c2ccccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | Cn1c(=O)n3c2ccccc21.c14ccccc1Cl.C34 |
15637 | Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] | Cc1ccc5cc1.c17ccccc16.c18cccnc1.C37=O.C48=O.N35.N46 |
15638 | O=C(Cc1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | c14ccccc15.N13CCCCCC1.c16ccccc1.O=C2C6.C35=O.N24 |
15639 | C=CCN(CC=C)C(=O)c1ccccc1N=C(O)c1ccccc1C | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c15ccccc1N=C(O)c1ccccc1C.C=CC3.N234.C4C=C.C25=O |
15641 | Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] | Cc1ccc6cc1.c15ccccc17.N14CCC(C)CC1.C36=O.C47=O.N35 |
15642 | Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch2] | Cc1ccc6cc1.c15ccccc17.N14CCCCC1C.C36=O.C47=O.N35 |
15643 | CC(=O)c1cnc2cc(-c3cccc(Br)c3)nn2c1C | [C][C][=Branch1][C][=O][C][C][=N][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][N][Ring1][N][C][=Ring1][S][C] | c14cnc2cc5nn2c1C.c15cccc(Br)c1.CC4=O |
15645 | CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1ccccc1.c17ccc6cc1.C37=O.N56C.CC4.N34 |
15646 | CCC(C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1ccccc1.c17ccc6cc1.CCC4C.C37=O.N56C.N34 |
15647 | CC(C)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1ccccc1.c17ccc6cc1.CC(C)C4.C37=O.N56C.N34 |
15648 | CC(C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1ccccc1.c17ccc6cc1.CC4C.C37=O.N56C.N34 |
15649 | CN(c1ccc(C(=O)NC(C)(C)C)cc1)S(=O)(=O)c1ccccc1 | [C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15ccc6cc1.C3(C)(C)C.CN45.C26=O.N23 |
15650 | Cc1ccc(Nc2nc3nonc3n3cnnc23)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][C][=N][N][=C][Ring1][N][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | c14nc2nonc2n2cnnc12.Cc1ccc5c(C)c1.N45 |
15651 | Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][=C][Ring1][P] | S3(=O)(=O)c1ccc(N)cc1.Cc1ccc4nc1.N34 |
15652 | Cc1cc[nH]c(=NS(=O)(=O)c2ccc(N)cc2)c1 | [C][C][C][=C][NH1][C][=Branch2][Ring1][Ring2][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=Ring1][P] | Cc1cc[nH]c(=NS(=O)(=O)c2ccc(N)cc2)c1 |
15653 | Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | Nc1ccc(S4(=O)=O)cc1.c15ccccn1.N34.C35 |
15654 | O=C(COc1ccc2ccccc2c1)Nc1cccnc1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccc2ccccc2c1.c16cccnc1.O=C3C4.O45.N36 |
15656 | CCn1ccnc1C(O)c1ccc(OC)c(OC)c1 | [C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16ccc2c3c1.n14ccnc15.C56O.CC4.O2C.O3C |
15657 | CCOc1ccc(C(O)c2cnc(CC)n2C)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][Branch1][C][O][C][=C][N][=C][Branch1][Ring1][C][C][N][Ring1][#Branch1][C][C][=C][Ring1][S] | c14ccc7cc1.c15cnc6n1C.C57O.CC3.O34.C6C |
15658 | COc1cccc(C(O)c2nc3ccccc3n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15nc2ccccc2n1C.c14cccc6c1.C56O.CO4 |
15659 | Cc1ccc(C(O)c2nc3ccccc3n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][C] | c14nc2ccccc2n1C.Cc1ccc5cc1.C45O |
15660 | CCn1c(C(O)c2cc(OC)ccc2OC)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n15c6nc2ccccc21.c17cc3ccc14.C67O.CC5.O3C.O4C |
15661 | CCn1c(C(O)c2ccc(C)cc2)nc2ccccc21 | [C][C][N][C][Branch1][S][C][Branch1][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | n13c4nc2ccccc21.c15ccc(C)cc1.C45O.CC3 |
15662 | CCCn1c(C(O)c2cccc(OC)c2)nc2ccccc21 | [C][C][C][N][C][Branch1][P][C][Branch1][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n14c5nc2ccccc21.c16cccc3c1.CCC4.C56O.O3C |
15663 | CCCn1c(C(O)c2cc(OC)ccc2OC)nc2ccccc21 | [C][C][C][N][C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n15c6nc2ccccc21.c17cc3ccc14.CCC5.C67O.O3C.O4C |
15664 | COc1ccc(-c2nc(Cc3ccc(OC)c(OC)c3)no2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c18ccc5c6c1.c14ccc9cc1.c19nc7no1.CO4.C78.O5C.O6C |
15665 | COc1ccccc1C(O)c1cnc(C(C)C)n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C] | c12ccccc15.c13cnc4n1C.C35O.C4(C)C.CO2 |
15666 | COc1ccc(C(O)Cc2nc3ccccc3n2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring1][O][C] | c16nc2ccccc2n1C.c14ccc7cc15.C7(O)C6.CO4.O5C |
15667 | CCC(CC)C(=O)Nc1ccc(OC)cc1OC | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c15ccc3cc14.CCC(CC)C2=O.N25.O3C.O4C |
15668 | CCOc1ccc(-c2nc(NC(=O)c3ccncc3)sc2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][S][C][=Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | c16ccc9cc1.c19nc7sc1C.c18ccncc1.C48=O.CC5.O56.N47 |
15669 | CC1Oc2ccccc2OC1C(=O)N1CCOCC1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | CC1Oc2ccccc2OC14.N13CCOCC1.C34=O |
15670 | CCCC(=O)Nc1nnc(-c2ccc(OC)cc2)s1 | [C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][=N] | c16ccc4cc1.c15nnc6s1.CCCC3=O.N35.O4C |
15671 | OCC(O)Cn1c(Cc2ccccc2)nc2ccccc21 | [O][C][C][Branch1][C][O][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | n13c4nc2ccccc21.c15ccccc1.OCC(O)C3.C45 |
15672 | Clc1ccc(Cn2ncc3c2ncn2cnnc32)c(Cl)c1 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2] | n14ncc2c1ncn1cnnc21.Clc1ccc5c(Cl)c1.C45 |
15673 | Cc1cc(C(F)(F)F)nn1CC(=O)N(C)c1ccccc1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc5nn14.c13ccccc1.C5(F)(F)F.C4C2=O.N23C |
15674 | OC1(c2cn(Cc3ccccc3)nn2)CCCCC1 | [O][C][Branch2][Ring1][Ring1][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][C][C][C][C][C][Ring2][Ring1][C] | OC16CCCCC1.c16cn4nn1.c15ccccc1.C45 |
15676 | Cc1cc(C)n(S(=O)(=O)c2cc(Br)ccc2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][N][=Ring1][P] | Cc1cc(C)n(S(=O)(=O)c2cc(Br)ccc2C)n1 |
15677 | CCOC(=O)C1=C(C)C(c2ccc(O)cc2)NC(=O)N1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring1][#C] | C3(=O)C1=C(C)C5NC(=O)N1.c15ccc(O)cc1.CC4.O34 |
15678 | CC(C)Oc1ccc(C(=O)NCc2ccco2)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C] | c15ccc7cc1.c18ccco1.CC4C.C37=O.O45.N36.C68 |
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