ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
15680 | CCN(CC)c1ccc2cc(C(=O)Nc3nccs3)c(=O)oc2c1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c18ccc2cc9c(=O)oc2c1.c17nccs1.N568.C49=O.CC5.C6C.N47 |
15681 | CC(C)(C)C(=O)CC(O)(c1ccccc1)C(F)(F)F | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | CC(C)(C)C(=O)CC2(O)C(F)(F)F.c12ccccc1 |
15682 | Cc1ccnc(NC(=O)c2oc3ccccc3c2C)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c16oc2ccccc2c1C.Cc1ccnc5c1.C46=O.N45 |
15683 | Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)C(C)C | [C][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c16nc2cccnc2o1.Cc1ccc6cc15.C4(=O)C(C)C.N45 |
15684 | Cc1cc(C)c(C(N)=O)c(Nc2ccccc2Cl)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][C] | Cc1cc(C)c5c3n1.c14ccccc1Cl.C5(N)=O.N34 |
15685 | O=S(=O)(c1cccs1)N1CCN(c2ccc(F)cc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | O=S3(=O)c1cccs1.N13CCN4CC1.c14ccc(F)cc1 |
15687 | CC(O)CNc1ncnc2sc(-c3ccccc3)cc12 | [C][C][Branch1][C][O][C][N][C][=N][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][#C][=Ring1][O] | c15ncnc2sc6cc12.c16ccccc1.CC(O)C4.N45 |
15688 | CN(C)c1ccc(C(=O)c2ccc(N(C)C)c(N)c2)cc1N | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][N][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][N] | c13ccc5cc1N.c16ccc4c(N)c1.CN3C.C56=O.N4(C)C |
15690 | O=S(=O)(c1cccs1)N(c1ccccc1)C(F)F | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][F] | O=S2(=O)c1cccs1.c13ccccc1.N23C(F)F |
15691 | COc1ccccc1N(C(F)F)S(=O)(=O)c1cccs1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S3(=O)(=O)c1cccs1.c12ccccc14.N34C(F)F.CO2 |
15692 | COc1cc(-c2nc3sc(C)c(C)c3c(=O)o2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c17nc2sc(C)c(C)c2c(=O)o1.c14cc7cc5c16.CO4.O5C.O6C |
15693 | Cc1ccc(NC(=O)C2C(=O)CCn3c2nc2ccccc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][N][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1] | C4(=O)C1C(=O)CCn2c1nc1ccccc12.Cc1ccc5cc1.N45 |
15694 | COc1ccc2c(c1)C(=O)CC(c1ccccc1F)O2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][#C] | c13ccc2c(c1)C(=O)CC4O2.c14ccccc1F.CO3 |
15696 | Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][P] | c15ccc(Cl)c(Cl)c1.Cc1cccc4n1.C35=O.N34 |
15697 | CC(=O)Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][Ring1][S] | c16nc2c(Cl)cccc2[nH]1.c15ccc6cc1.CC4=O.N45 |
15698 | O=C(Nc1cccnc1)c1cccc(NC(=O)c2ccco2)c1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C] | c18cccc6c1.c15cccnc1.c17ccco1.O=C38.C47=O.N35.N46 |
15700 | NC(=O)C1CCN(C(=O)Cc2cccs2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C] | C14CCN3CC1.c15cccs1.C3(=O)C5.NC4=O |
15701 | COc1ccccc1Cc1nc(-c2cccnc2)no1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O] | c13ccccc15.c14nc6no1.c16cccnc1.CO3.C45 |
15703 | Nc1ccc(S(=O)(=O)c2ccc(N)c(N)c2)cc1N | [N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][C][N][=C][Ring1][Branch2][C][=C][Ring1][P][N] | Nc1ccc(S(=O)(=O)c2ccc(N)c(N)c2)cc1N |
15705 | Cc1ccc(OCCn2ccnc2)c(Br)c1 | [C][C][=C][C][=C][Branch1][O][O][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][Br][=C][Ring1][#C] | Cc1ccc4c(Br)c1.n15ccnc1.C3C5.O34 |
15708 | Cc1cc(Br)ccc1OCC(=O)Nc1cccnc1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1cc(Br)ccc14.c15cccnc1.C3C2=O.O34.N25 |
15709 | Cc1cc(Br)ccc1OCC(=O)Nc1ccncc1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1cc(Br)ccc14.c15ccncc1.C3C2=O.O34.N25 |
15710 | C#CC(O)(c1ccc(OC)cc1)c1ccc(OC)cc1 | [C][#C][C][Branch1][C][O][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c14ccc2cc1.c15ccc3cc1.C#CC45O.O2C.O3C |
15711 | COc1ccccc1CC(=O)N1CCC(C(N)=O)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2] | c13ccccc15.N12CCC4CC1.C5C2=O.C4(N)=O.CO3 |
15712 | CC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][S] | c14ccc(Cl)c(Cl)c1.CC1CCN3CC1.C34=O |
15713 | CCOC(=O)N1CCN(C(=O)Cc2cccs2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C] | N14CCN5CC1.c17cccs1.C5(=O)C7.C34=O.CC6.O36 |
15715 | CCOc1ccc(OCCn2cnc3ccccc3c2=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2] | n18cnc2ccccc2c1=O.c16ccc7cc1.C5C8.CC4.O46.O57 |
15716 | Cc1csc2nc(=O)c(-c3ccccc3N)nn12 | [C][C][=C][S][C][=N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][N][Ring1][P][Ring1][=C] | Cc1csc2nc(=O)c4nn12.c14ccccc1N |
15717 | O=C(Cc1cccs1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.c15cccs1.O=C3C5.N34 |
15719 | C=CCc1cc(OC)ccc1OCCn1ccnc1 | [C][=C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][N][C][=C][N][=C][Ring1][Branch1] | c16cc3ccc14.n15ccnc1.C=CC6.C2C5.O3C.O24 |
15722 | O=C(N1CCOCC1)C(O)(c1ccccc1)c1ccccc1 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C2C34O.N12CCOCC1.c13ccccc1.c14ccccc1 |
15726 | CCOc1ccc(-c2nc3cc(N)ccc3o2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=C][Ring1][S] | c16nc2cc(N)ccc2o1.c15ccc6cc1.CC4.O45 |
15727 | O=C(CCCc1c[nH]c2ccccc12)NCC1CCCO1 | [O][=C][Branch1][P][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][C][C][O][Ring1][Branch1] | c16c[nH]c2ccccc12.O=C3CCC6.C15CCCO1.N34.C45 |
15728 | O=C(NC(O)C(Cl)(Cl)Cl)c1ccccc1O | [O][=C][Branch1][=C][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c14ccccc1O.C3(O)C(Cl)(Cl)Cl.O=C24.N23 |
15729 | CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][#C] | c16nc2ccccc2o1.c15ccc6cc1.CC4=O.N45 |
15731 | CC(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2OC(C)=O)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Ring2] | c18cc(Cl)ccc17.c16ccc9cc1.CC3=O.C59=O.C4(C)=O.O36.N58.O47 |
15732 | CNS(=O)(=O)c1cc(O)c2c(S(=O)(=O)NC)cccc2c1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][O][=C][Ring1][S] | S3(=O)(=O)c1cc(O)c2c(S4(=O)=O)cccc2c1.CN3.N4C |
15733 | Cc1ccc(S(=O)(=O)n2c(=O)oc3cc(Cl)ccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S(=O)(=O)n2c(=O)oc3cc(Cl)ccc32)cc1 |
15735 | Nc1ccc(-c2nc3cc(N)ccc3n2-c2ccccc2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c15nc2cc(N)ccc2n14.Nc1ccc5cc1.c14ccccc1 |
15736 | OC(COc1ccc(Cl)cc1)Cn1ccnc1 | [O][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][=C][N][=C][Ring1][Branch1] | c13ccc(Cl)cc1.OC(C2)C4.n14ccnc1.O23 |
15737 | Nc1ccc2nc(CCc3nc4ccc(N)cc4s3)sc2c1 | [N][C][=C][C][=C][N][=C][Branch2][Ring1][Ring1][C][C][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][S][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Nc1ccc2nc5sc2c1.c16nc2ccc(N)cc2s1.C5C6 |
15738 | O=C(CNC(=O)C1CCCCC1)Nc1nccs1 | [O][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N][C][=N][C][=C][S][Ring1][Branch1] | C16CCCCC1.c15nccs1.O=C2C4.C36=O.N34.N25 |
15739 | COc1c2occc2c(OC)c2c(=O)cc(C(F)F)oc12 | [C][O][C][=C][O][C][=C][C][Ring1][Branch1][=C][Branch1][Ring1][O][C][C][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][O][C][Ring2][Ring1][Ring1][=Ring1][#Branch2] | c13c2occc2c4c2c(=O)cc5oc12.C5(F)F.CO3.O4C |
15741 | c1ccc2nc(N3CCOCC3)c(N3CCOCC3)nc2c1 | [C][=C][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c1ccc2nc4c5nc2c1.N14CCOCC1.N15CCOCC1 |
15742 | CC1CCCC(C)N1C(=O)c1ccc(Cl)cc1 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | CC1CCCC(C)N12.c13ccc(Cl)cc1.C23=O |
15743 | COc1c2c(c(OC)c3occc13)OC(O)(C(F)(F)F)CC2=O | [C][O][C][=C][C][=Branch1][#C][=C][Branch1][Ring1][O][C][C][O][C][=C][C][Ring1][O][=Ring1][Branch1][O][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][Ring1][=O] | c14c2c(c5c3occc13)OC6(O)CC2=O.C6(F)(F)F.CO4.O5C |
15745 | O=C(CNC(=O)C1CCCCC1)Nc1nncs1 | [O][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N][C][=N][N][=C][S][Ring1][Branch1] | C16CCCCC1.c15nncs1.O=C2C4.C36=O.N34.N25 |
15747 | CC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S] | c15ccc6cc1.c17ccccc1F.CC3=O.C47=O.N35.N46 |
15748 | COc1ccc2c3c(c(=O)oc2c1)SC(C(F)(F)F)C3 | [C][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][S][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=C] | c14ccc2c3c(c(=O)oc2c1)SC5C3.C5(F)(F)F.CO4 |
15750 | Nc1ccc(C2CCCc3nonc32)c2nonc12 | [N][C][=C][C][=C][Branch1][=C][C][C][C][C][C][=N][O][N][=C][Ring1][Branch1][Ring1][=Branch2][C][=N][O][N][=C][Ring2][Ring1][C][Ring1][Branch1] | Nc1ccc(C2CCCc3nonc32)c2nonc12 |
15751 | NC(=O)CCn1c(Cc2ccccc2)nc2ccccc21 | [N][C][=Branch1][C][=O][C][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.NC(=O)CC3.C45 |
15752 | Cc1cc(C)n(-c2cc(-n3nc(C)cc3C)ncn2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][C][=N][Ring1][=N][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n4n1.c14cc5ncn1.n15nc(C)cc1C |
15753 | O=C(COc1ccccc1)OCn1nnc2ccccc2c1=O | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n16nnc2ccccc2c1=O.c15ccccc1.O=C3C4.O3C6.O45 |
15754 | CC(Oc1ccccc1)C(=O)OCn1nnc2ccccc2c1=O | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n16nnc2ccccc2c1=O.c15ccccc1.CC4C3=O.O3C6.O45 |
15755 | O=C(Nc1cnc2ccccn2c1=O)c1ccc(F)cc1 | [O][=C][Branch1][P][N][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cnc2ccccn2c1=O.c15ccc(F)cc1.O=C35.N34 |
15756 | O=C(Nc1cnc2c(O)cccn2c1=O)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][N][=C][C][Branch1][C][O][=C][C][=C][N][Ring1][#Branch1][C][Ring1][O][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cnc2c(O)cccn2c1=O.c15ccc(F)cc1.O=C35.N34 |
15757 | O=C(OCn1nnc2ccccc2c1=O)c1cccc(Cl)c1 | [O][=C][Branch2][Ring1][C][O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | n15nnc2ccccc2c1=O.c14cccc(Cl)c1.O=C34.O3C5 |
15758 | Cc1nnc2c(N3CCOCC3)nc3ccccc3n12 | [C][C][=N][N][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][S] | Cc1nnc2c4nc3ccccc3n12.N14CCOCC1 |
15759 | FC(F)(F)c1cc(-c2ccccc2)n2ncnc2n1 | [F][C][Branch1][C][F][Branch1][C][F][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][N][=Ring1][#C] | c13cc4n2ncnc2n1.c14ccccc1.FC3(F)F |
15760 | Cc1cccn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc12 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][N][=C][Ring2][Ring1][Branch1][Ring1][P] | Cc1cccn2c(=O)c5cnc12.c16ccc(F)cc1.C46=O.N45 |
15762 | CCOC(=O)COc1cc(C)c2c(C)cc(=O)oc2c1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][=N] | c16cc(C)c2c(C)cc(=O)oc2c1.C3(=O)C5.CC4.O34.O56 |
15763 | OCC1(CO)CCCC12COC(c1ccccc1)OC2 | [O][C][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][N] | C134CCCC12COC5OC2.c15ccccc1.OC3.C4O |
15764 | CC(=O)Nc1cc2nc3c(nc2cc1C)c(=O)n(C)c(=O)n3C | [C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Branch1][#Branch2][N][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=C][C] | c15cc2nc3c(nc2cc1C)c(=O)n(C)c(=O)n3C.CC4=O.N45 |
15765 | OCC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O | [O][C][C][O][C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Ring1][O] | C16OC5C(O)C(O)C1O.c14cccc2ccccc12.OC6.N45 |
15767 | COc1cc(CNc2ccc(F)cc2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c13cc8cc4c15.c17ccc(F)cc1.CO3.C68.N67.O4C.O5C |
15768 | COc1cc(CNc2ccc(Cl)cc2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c13cc8cc4c15.c17ccc(Cl)cc1.CO3.C68.N67.O4C.O5C |
15769 | O=C1C=C(c2ccccc2)Nc2ccc(Cl)cc2N1 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring1][C] | O=C1C=C(c2ccccc2)Nc2ccc(Cl)cc2N1 |
15770 | CN1C(=O)C=C(c2ccccc2)Nc2ccccc21 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | CN1C(=O)C=C(c2ccccc2)Nc2ccccc21 |
15771 | O=C(NC(O)C(Cl)(Cl)Cl)c1ccccc1 | [O][=C][Branch1][=C][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(O)C(Cl)(Cl)Cl.c14ccccc1.O=C24.N23 |
15772 | CCc1ccc(OCc2nc(-c3ccccn3)no2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c17ccc5cc1.c16nc8no1.c18ccccn1.CC7.O45.C46 |
15773 | CC(O)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 | [C][C][Branch1][C][O][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.CC(O)C2=O.N23 |
15774 | Cc1ccc(C)c(S(=O)(=O)NC(=O)C(C)O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][O][=C][Ring1][S] | Cc1ccc(C)c(S3(=O)=O)c1.C2(=O)C(C)O.N23 |
15775 | CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][S][C][Branch1][C][C][=C][Ring1][P][C] | c18c7sc(C)c1C.c19cccc6c1.C38=O.C49=O.CC5.O35.N47.O6C |
15776 | O=C(CSc1ccccn1)Nc1ccc(F)c(F)c1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c14ccc(F)c(F)c1.c15ccccn1.O=C2C3.S35.N24 |
15777 | COc1ccc(CNC(=O)CSc2nnc(C)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c14ccc7cc1.c18nnc(C)s1.C3(=O)C6.CO4.C57.N35.S68 |
15779 | O=C(C(c1ccccc1)c1ccccc1)N1CCCC1 | [O][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c13ccccc1.c14ccccc1.O=C2C34.N12CCCC1 |
15783 | CN(C)S(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C] | S4(=O)(=O)c1ccc5cc1.c16cccnc1.CN4C.C36=O.N35 |
15785 | Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 |
15786 | Cc1nc(NCc2cccnc2)c2c3c(sc2n1)CCCC3 | [C][C][=N][C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][P][C][C][C][C][Ring1][=Branch2] | Cc1nc5c2c3c(sc2n1)CCCC3.c16cccnc1.N45.C46 |
15788 | C=CCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCC3 | [C][=C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=C][=O][C][C][C][Ring1][Branch2] | n15c6nc2sc3c(c2c1=O)CCC3.C4C(N)=O.C=CC5.S46 |
15789 | CCc1ccc(NC(=O)CSc2nnc(C)s2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc5cc1.c17nnc(C)s1.C3(=O)C4.CC6.N35.S47 |
15790 | COc1ccc(Cl)cc1NC(=O)CSc1nnc(C)s1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1] | c13ccc(Cl)cc15.c16nnc(C)s1.C2(=O)C4.CO3.N25.S46 |
15791 | COc1ccc(CC(C#N)C(=O)Nc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc7cc15.C7C(C#N)C3=O.c16ccccc1.CO4.N36.O5C |
15792 | COc1ccc(CC(C#N)C(=O)Nc2ccccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Branch1] | c14ccc7cc1.C7C(C#N)C3=O.c16ccccc15.CO4.N36.O5C |
15793 | COc1ccccc1NC(=O)C(C#N)Cc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc14.C2(=O)C(C#N)C5.c15ccccc1.CO3.N24 |
15794 | COc1ccc(NC(=O)C(C#N)Cc2ccc(OC)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] | c18ccc5c6c1.c14ccc7cc1.C3(=O)C(C#N)C8.CO4.N37.O5C.O6C |
15795 | N#CC(Cc1cccnc1)C(=O)Nc1ccc(Cl)c(Cl)c1 | [N][#C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c13ccc(Cl)c(Cl)c1.N#CC(C4)C2=O.c14cccnc1.N23 |
15799 | CC(=O)Oc1ccc(-c2nc3ccccc3o2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][#C] | c16nc2ccccc2o1.c15ccc6cc1.CC4=O.O45 |
15800 | Cc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccco1 | [C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1cc5ccc16.c17cccs1.c18ccco1.C37=O.C48=O.N35.N46 |
15801 | C#Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 | [C][#C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring1][P] | C#Cc1cccc5c1.c16ccc4cc1.C36=O.N35.O4C |
15802 | O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | c15cccc6c1.c18cccs1.c17ccco1.O=C37.C48=O.N35.N46 |
15803 | CC(C)CNC(=O)c1cccc(NC(=O)c2cccs2)c1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C] | c18cccc6c1.c17cccs1.CC(C)C5.C38=O.C47=O.N35.N46 |
15804 | COc1cccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][Ring1][=N][=C][Ring2][Ring1][=Branch1] | c15cccc8c1.c17cccc9c1.C6C(C)C.C38=O.C49=O.CO5.N37.N46 |
15805 | CC(=O)Nc1cc(NC(C)=O)cc(-c2nc3ccccc3[nH]2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | c18nc2ccccc2[nH]1.c16cc7cc8c1.CC4=O.C5(C)=O.N46.N57 |
15806 | Nn1c(SCc2ccccc2)nnc1-c1ccco1 | [N][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1] | Nn1c5nnc16.c14ccccc1.c16ccco1.S35.C34 |
15807 | O=C(NCc1cccnc1)c1cc2c(ccc3ccccc32)o1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][Ring1][=N] | c16cc2c(ccc3ccccc32)o1.c17cccnc1.O=C46.N45.C57 |
15808 | Cc1ccc(C(=O)Cn2c3ccccc3n3nc(C)c(=O)nc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring1][#C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2] | n15c2ccccc2n2nc(C)c(=O)nc12.Cc1ccc4cc1.C4(=O)C5 |
15809 | Cc1nn2c3ccccc3n(CC(=O)c3ccco3)c2nc1=O | [C][C][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][P][=N][C][Ring2][Ring1][Branch1][=O] | Cc1nn2c3ccccc3n5c2nc1=O.c14ccco1.C5C4=O |
15811 | CN(C)c1ccc(C(=O)N2CCc3ccccc32)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][P] | N14CCc2ccccc21.c15ccc6cc1.CN5C.C46=O |
15813 | CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N] | c15ccc(S3(=O)=O)cc1.c16ccccc14.C25=O.N3(C)C.CC6.N24 |
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