ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
40763 | Oc1cccc2c1Oc1nc3ccccc3nc1O2 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][O][Ring1][=C] | Oc1cccc2c1Oc1nc3ccccc3nc1O2 |
40764 | Cc1ncsc1CCOC(=O)Nc1ccccc1F | [C][C][N][=C][S][C][=Ring1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.Cc1ncsc16.C6C4.C23=O.O24.N35 |
40766 | O=C(Nc1ccon1)OCC(Cl)(Cl)Cl | [O][=C][Branch1][=Branch2][N][C][C][=C][O][N][=Ring1][Branch1][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | c15ccon1.C4C(Cl)(Cl)Cl.O=C23.N35.O24 |
40767 | CSc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 | [C][S][C][=N][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.c17nnc5s1.C34=O.CS7.N35.N46 |
40768 | Cn1nnnc1SCc1ccc(Br)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13ccc(Br)cc1.Cn1nnnc14.S24.C23 |
40769 | Cn1c(SCc2ccccc2F)cc(=O)n(C)c1=O | [C][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][P][=O] | Cn1c5cc(=O)n(C)c1=O.c14ccccc1F.S35.C34 |
40770 | CC(=O)c1cc(Cl)ccc1Oc1cc(=O)n(C)c(=O)n1C | [C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | c12cc(=O)n(C)c(=O)n1C.c14cc(Cl)ccc13.CC4=O.O23 |
40771 | CC(=O)c1ccc(Oc2cc(=O)n(C)c(=O)n2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring1][P] | c13cc(=O)n(C)c(=O)n1C.c15ccc4cc1.CC5=O.O34 |
40772 | CCC(=O)c1ccc(Oc2cc(=O)n(C)c(=O)n2C)cc1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][Ring1][P] | c13cc(=O)n(C)c(=O)n1C.c15ccc4cc1.CCC5=O.O34 |
40773 | O=C(Nc1ccc(Cl)cc1)OCc1ccccn1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccc(Cl)cc1.c16ccccn1.O=C23.N35.O24.C46 |
40774 | CSc1nccc(Oc2cncc(Cl)c2)n1 | [C][S][C][=N][C][=C][C][Branch1][=N][O][C][=C][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][=C] | c15nccc3n1.c14cncc(Cl)c1.CS5.O34 |
40775 | O=C(CC1CSc2ccccc2NC1=O)Nc1ccccc1 | [O][=C][Branch2][Ring1][C][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15CSc2ccccc2NC1=O.c14ccccc1.O=C3C5.N34 |
40776 | O=c1oc2ccc(Cl)cc2n1S(=O)(=O)c1ccccc1 | [O][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1oc2ccc(Cl)cc2n1S(=O)(=O)c1ccccc1 |
40777 | CCOC(=O)C1(Cc2ccccc2)C(=O)Nc2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | C3(=O)C1(C5)C(=O)Nc2ccccc21.c15ccccc1.CC4.O34 |
40778 | O=C1OCCN1c1cc(C(F)(F)F)ccc1Cl | [O][=C][O][C][C][N][Ring1][Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl] | c13cc2ccc1Cl.O=C1OCCN13.C2(F)(F)F |
40779 | O=C(CSc1ccccn1)Nc1ccccc1O | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c14ccccc1O.c15ccccn1.O=C2C3.S35.N24 |
40781 | CN1CCOC(C(Nc2ccccc2)c2cccc(Cl)c2)C1=O | [C][N][C][C][O][C][Branch2][Ring1][Branch2][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch1][=O] | CN1CCOC5C1=O.c16cccc(Cl)c1.c14ccccc1.C356.N34 |
40782 | COc1ccc(-c2nc(C)c(C#N)c(SC)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][Ring1][S][C][=N][Ring1][O][C][=C][Ring1][P] | c15nc4c(C#N)c(C)n1.c13ccc5cc1.CO3.S4C |
40783 | CCOC(=O)c1nc(C(=O)OCC)n(C2CCCCC2)c1N | [C][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][S][N] | c17nc8n9c1N.C19CCCCC1.C37=O.C48=O.CC5.O35.O46.C6C |
40784 | Cc1cc(-c2ccccc2)n(-c2cc(N(C)C)ncn2)n1 | [C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=N][Ring1][=Branch2][N][=Ring2][Ring1][Ring2] | Cc1cc5n4n1.c14cc3ncn1.c15ccccc1.N3(C)C |
40785 | COc1cccc(OC)c1C(=O)Nc1ccc(C#N)c(Cl)c1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2] | c15ccc(C#N)c(Cl)c1.c13cccc4c16.C26=O.CO3.O4C.N25 |
40786 | CC1=NC2(O)c3ccccc3C(=O)C2(O)C1C(=O)OC(C)C | [C][C][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][O][Branch1][C][O][C][Ring1][#C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | CC1=NC2(O)c3ccccc3C(=O)C2(O)C16.C46=O.C5(C)C.O45 |
40787 | O=C(NCCc1ccccn1)c1ccc(Cl)cc1Cl | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.c15ccccn1.O=C24.C3C5.N23 |
40788 | CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][C][O][C][C] | c18c(C)cc(C)cc1C.c16ccc9cc17.C39=O.CC4.O46.N38.O57.C5C |
40789 | COc1cccc(OCC(=O)Nc2c(C)cccc2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c17c(C)cccc1C.c15cccc6c1.C4C3=O.CO5.O46.N37 |
40791 | Cc1ccc(C)c(NC(=O)C(C)CC2COCCO2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][O][C][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1ccc(C)c4c1.C3(=O)C(C)C5.C15COCCO1.N34 |
40792 | CS(=O)(=O)c1ccccc1-n1nnnc1S(C)(=O)=O | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | CS(=O)(=O)c1ccccc12.n12nnnc1S(C)(=O)=O |
40793 | O=C(Nc1nnc(C(F)(F)F)s1)C1CCCO1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][C][C][C][O][Ring1][Branch1] | c13nnc5s1.C14CCCO1.C5(F)(F)F.O=C24.N23 |
40794 | CCCC(=O)Nc1ccc(C(=O)Nc2cccc(C)n2)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][S] | c16ccc7cc1.c15cccc(C)n1.CCCC3=O.C47=O.N36.N45 |
40796 | CCOC(=O)c1cccnc1NC(=O)c1ccco1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c17cccnc15.c16ccco1.C27=O.C36=O.CC4.O24.N35 |
40797 | O=C(c1ccccc1)c1conc1C(=O)c1ccccc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc1.c14conc12.c15ccccc1.O=C34.C25=O |
40798 | Cc1cc2ncc(C#N)c(-c3ccc(Br)cc3)n2n1 | [C][C][C][=C][N][=C][C][Branch1][Ring1][C][#N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Ring1][#C][N][=Ring2][Ring1][C] | Cc1cc2ncc(C#N)c4n2n1.c14ccc(Br)cc1 |
40800 | COc1cccc(-n2nc(C(C)=O)c(C#N)c2-c2ccco2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][N][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1] | n15nc4c(C#N)c16.c13cccc5c1.c16ccco1.C4(C)=O.CO3 |
40801 | O=C(c1ccccn1)c1conc1C(=O)c1ccccc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccccn1.c14conc13.c15ccccc1.O=C24.C35=O |
40802 | O=C(c1cccnc1)c1conc1C(=O)c1ccccc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cccnc1.c14conc12.c15ccccc1.O=C34.C25=O |
40803 | c1cncc(-c2nnc(-c3cccs3)c3nocc23)c1 | [C][=C][N][=C][C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=N][O][C][=C][Ring1][=C][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | c15nnc4c2nocc12.c1cncc5c1.c14cccs1 |
40805 | Cc1ccc(-c2nnc3n(C)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 | [C][C][=C][C][=C][Branch2][Ring2][C][C][=N][N][=C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][N][Ring1][P][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c15nnc2n(C)c3c(=O)n(C)c(=O)n(C)c3n12.Cc1ccc5cc1 |
40806 | Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(Cl)cc3)nnc1n2C | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][N][Branch1][C][C][C][Ring1][Branch2][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][N][Ring2][Ring1][Ring1][C] | Cn1c(=O)c2c(n(C)c1=O)n1c4nnc1n2C.c14ccc(Cl)cc1 |
40807 | Cc1nc2ccccc2c2c1Cn1ncnc1S2 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][N][N][=C][N][=C][Ring1][Branch1][S][Ring1][=Branch2] | Cc1nc2ccccc2c2c1Cn1ncnc1S2 |
40808 | Cn1c(C(F)(F)F)cc(=O)n(-c2cccc(C(F)(F)F)c2)c1=O | [C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][=O] | Cn1c3cc(=O)n5c1=O.c15cccc4c1.C3(F)(F)F.C4(F)(F)F |
40809 | Cc1nn(-c2c(F)c(F)nc(F)c2F)c(=O)n1C | [C][C][=N][N][Branch2][Ring1][Ring1][C][=C][Branch1][C][F][C][Branch1][C][F][=N][C][Branch1][C][F][=C][Ring1][=Branch2][F][C][=Branch1][C][=O][N][Ring1][S][C] | c13c(F)c(F)nc(F)c1F.Cc1nn3c(=O)n1C |
40810 | COC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2] | c13nc4cc5n1.c17ccccc16.C27=O.CO2.O36.O4C.O5C |
40811 | CCOC(=O)Cc1nnc(Oc2ccccc2)s1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N] | c17nnc5s1.c16ccccc1.C3(=O)C7.CC4.O34.O56 |
40812 | COc1cc(OC)nc(Oc2cccc(OC)c2N)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch1][#C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][=N][Ring2][Ring1][C] | c13cc4nc5n1.c16cccc7c1N.CO3.O4C.O56.O7C |
40813 | Cn1c(=O)ccn(-c2ccc(Cl)cc2F)c1=O | [C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][Ring1][#C][=O] | Cn1c(=O)ccn3c1=O.c13ccc(Cl)cc1F |
40814 | Cc1cccc(C(=O)Cn2nnc3ccccc32)c1 | [C][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][Ring2][Ring1][C] | n15nnc2ccccc21.Cc1cccc4c1.C4(=O)C5 |
40815 | OC(c1ccncc1)c1cccc(Br)c1 | [O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13cccc(Br)c1.c12ccncc1.OC23 |
40816 | CN1c2ccccc2N(C)c2nc3ccccc3nc21 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][Ring1] | CN1c2ccccc2N(C)c2nc3ccccc3nc21 |
40820 | CCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1Br | [C][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][=C][Ring1][S][Br] | c15ccc7cc1Br.c16cc(C)ccn1.C37=O.CC4.O45.N36 |
40821 | COC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][C][=Ring1][S][C] | c17ccc(C)c(C)c1.c16sc5nc1C.C36=O.C47=O.CO3.N45 |
40822 | CCOc1ccc(C(=O)Nc2cccc(C)n2)cc1Br | [C][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][S][Br] | c15ccc7cc1Br.c16cccc(C)n1.C37=O.CC4.O45.N36 |
40824 | CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P] | CS(=O)(=O)c1cccc(S3(=O)=O)c1.c14ccc(Cl)cc1.N34 |
40825 | O=C(NC1CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C] | c16cccc(S4(=O)=O)c1.C15CCCC1.N14CCCC1.O=C36.N35 |
40826 | O=C(NCC1CCCO1)c1ccc(NC(=O)c2ccccc2)cc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c17ccc6cc1.c18ccccc1.C19CCCO1.O=C37.C48=O.N35.C59.N46 |
40829 | CS(=O)(=O)c1cccc(S(=O)(=O)NCc2cccnc2)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][P] | CS(=O)(=O)c1cccc(S4(=O)=O)c1.c15cccnc1.N34.C35 |
40830 | NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][S] | c14cccc(S3(=O)=O)c1.N13CCCCCC1.NC4=O |
40831 | CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=C] | S6(=O)(=O)c1cccc8c1.C17CCCC1.N456.C38=O.CC4.C5C.N37 |
40832 | CCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][S] | c16cccc(S5(=O)=O)c1.N15CCCCCC1.C36=O.CC4.N34 |
40833 | Cc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][O][Ring2][Ring1][Branch1] | c18ccc5cc1.Cc1cc7no1.c16ccccc1.C48=O.N47.O56 |
40834 | CNC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][S][C] | c16cc(S5(=O)=O)ccc1C.c17ccco1.C36=O.CN3.N45.C47 |
40835 | CNC(=O)c1cc(S(=O)(=O)NC2CCCC2)ccc1C | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][C] | c16cc(S4(=O)=O)ccc1C.C15CCCC1.C36=O.CN3.N45 |
40836 | CC(=O)Nc1nnc(CCSc2cc(Cl)ccc2Cl)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][S][C][C][S][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][S][Ring1][S] | c17cc(Cl)ccc1Cl.c15nnc6s1.CC3=O.C6C4.N35.S47 |
40837 | Cc1ccc(C(=O)COC(=O)c2cccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][P] | Cc1ccc6cc1.c15cccs1.C6(=O)C4.C35=O.O34 |
40838 | CC(OC(=O)c1cccs1)C(=O)c1ccccc1 | [C][C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.CC3C5=O.c14cccs1.C24=O.O23 |
40840 | CCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1 | [C][C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13nc2c(cnn24)c(=O)n15.c14ccccc1.c15ccccc1.CC3 |
40841 | COc1cc2c(cc1OC)C1(CCCC1)C(=O)C2C#N | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][=C][C][#N] | c13cc2c(cc14)C1(CCCC1)C(=O)C2C#N.CO3.O4C |
40842 | COc1cccc(C(=O)COC(=O)c2cccs2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][P] | c15cccc7c1.c16cccs1.C7(=O)C4.C36=O.CO5.O34 |
40843 | COc1cccc(C(=O)COC(=O)C=C2OC(=O)c3ccccc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1] | C1=8OC(=O)c2ccccc21.c16cccc7c1.C7(=O)C5.C4(=O)C=8.CO6.O45 |
40844 | O=C(COc1cccc(NC(=O)c2ccco2)c1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15cccc6c1.c18ccc(F)cc1.c17ccco1.O=C8C4.C37=O.O45.N36 |
40847 | COc1ccc(NC(=O)C2CC3CCC2C3)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c15ccc7c6c1.C18CC2CCC1C2.C48=O.CO5.N47.O6C |
40848 | Cc1cc(C)c(NC(=O)C2CC3CCC2C3)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1cc(C)c5c(C)c1.C16CC2CCC1C2.C46=O.N45 |
40849 | CCOc1ccccc1C(=O)Nc1ncccc1C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C] | c14ccccc16.c15ncccc1C.C26=O.CC3.O34.N25 |
40850 | Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccco2)c1 | [C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][=Branch1] | Cc1ccc5c6c1.c17ccco1.c18ccco1.C37=O.C48=O.N35.N46 |
40851 | COc1ccc(-c2nnc(-c3cccs3)o2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][C][=C][Ring1][S][O][C] | c14ccc7cc15.c17nnc6o1.c16cccs1.CO4.O5C |
40852 | CC(=O)Nc1ccc(OC(C)=O)c(-c2nc3ccccc3[nH]2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | c18nc2ccccc2[nH]1.c17ccc6c8c1.CC5=O.C4(C)=O.N57.O46 |
40853 | CCc1ccc(C2NC(=O)c3ccccc3N2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring1][P] | C15NC(=O)c2ccccc2N1.c14ccc5cc1.CC4 |
40854 | Cn1ncc(Br)c1C(=O)N1CCCC1 | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | Cn1ncc(Br)c13.N12CCCC1.C23=O |
40857 | Cc1sc(NC(=O)c2cccs2)c(C#N)c1C | [C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][Ring1][C][#N][C][=Ring1][#C][C] | Cc1sc4c(C#N)c1C.c15cccs1.C35=O.N34 |
40858 | Cn1nccc1C(=O)N1CCN(c2ccccc2)CC1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N13CCN4CC1.Cn1nccc15.c14ccccc1.C35=O |
40861 | Cc1ccnc(NC(=O)c2nn(C)cc2Cl)c1 | [C][C][=C][C][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][S] | Cc1ccnc4c1.c15nn(C)cc1Cl.C35=O.N34 |
40862 | CCOc1cc(C(=O)n2cccn2)cc(OCC)c1OCC | [C][C][O][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=N][Ring1][Branch1][=C][C][Branch1][Ring2][O][C][C][=C][Ring1][S][O][C][C] | c16cc9cc7c18.C9(=O)n1cccn1.CC3.O36.O47.C4C.O58.C5C |
40863 | COC(=O)c1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c16ccccc15.c17ccc8cc1.n18cnnn1.C36=O.C47=O.CO3.N45 |
40864 | CC(NC(=O)c1cccs1)c1ccc2c(c1)OCCO2 | [C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c15cccs1.CC46.C35=O.N34 |
40866 | CC(NC(=O)c1ccco1)c1ccc2c(c1)OCCCO2 | [C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2] | c16ccc2c(c1)OCCCO2.c15ccco1.CC46.C35=O.N34 |
40867 | Cc1sc(NC(=O)C2CCCO2)c(C#N)c1C | [C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Branch1][Ring1][C][#N][C][=Ring1][#C][C] | Cc1sc4c(C#N)c1C.C15CCCO1.C35=O.N34 |
40868 | Cn1nccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(F)cc1.Cn1nccc15.C35=O |
40869 | Cc1cc(Br)ccc1NC(=O)c1nn(C)cc1Cl | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Cl] | Cc1cc(Br)ccc13.c14nn(C)cc1Cl.C24=O.N23 |
40870 | Cn1cc(Cl)c(C(=O)Nc2cc(Cl)cc(Cl)c2)n1 | [C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][P] | c14cc(Cl)cc(Cl)c1.Cn1cc(Cl)c5n1.C35=O.N34 |
40872 | Cn1ncc(Cl)c1C(=O)N1CCCc2ccccc21 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N13CCCc2ccccc21.Cn1ncc(Cl)c14.C34=O |
40873 | Cn1cc(Cl)c(C(=O)OCC(=O)Nc2cccc3ccccc23)n1 | [C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | c17cccc2ccccc12.Cn1cc(Cl)c8n1.C6C5=O.C48=O.O46.N57 |
40874 | Cc1cc(C)cc(NC(=O)c2nn(C)cc2Cl)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][P] | Cc1cc4cc(C)c1.c15nn(C)cc1Cl.C35=O.N34 |
40875 | Cc1c(C(=O)OC(C)C)sc(NC(=O)C2CC2)c1C(N)=O | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][P][C][Branch1][C][N][=O] | Cc1c7sc6c19.C37=O.C5(C)C.C48=O.C18CC1.C9(N)=O.O35.N46 |
40878 | COc1ccc(-c2noc(-c3cccs3)n2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=N][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S][O][C] | c14ccc7cc15.c17noc6n1.c16cccs1.CO4.O5C |
40879 | Nc1ncn(CC(O)CO)c2nc(N3CCOCC3)nc1-2 | [N][C][N][=C][N][Branch1][Branch2][C][C][Branch1][C][O][C][O][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=Ring2][Ring1][Ring2][Ring1][O] | Nc1ncn5c2nc4nc1-2.N14CCOCC1.C5C(O)CO |
40880 | CC12CC3(C)CC(CC(N)=O)(C1)CC(C(N)=O)(C2)C3 | [C][C][C][C][Branch1][C][C][C][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][Branch1][Ring2][C][Ring1][O][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][Branch1][Ring2][C][Ring1][P][C][Ring1][S] | CC12CC34CC5(C1)CC(C)(C3)C2.C5C(N)=O.C4(N)=O |
40881 | CC(=O)Nc1nc2c3ccccc3n(C(C)=O)c2s1 | [C][C][=Branch1][C][=O][N][C][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Ring1][N][S][Ring1][#C] | c15nc2c3ccccc3n(C(C)=O)c2s1.CC4=O.N45 |
40882 | CCN(CC)C(=O)CSc1ncc2c(n1)[nH]c1ccccc12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c17ncc2c(n1)[nH]c1ccccc12.C3(=O)C6.N345.CC4.C5C.S67 |
40883 | CSc1nnc2nc3c(nn12)c1ccccc1n3C | [C][S][C][=N][N][=C][N][=C][C][=Branch1][#Branch1][=N][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C] | c14nnc2nc3c(nn12)c1ccccc1n3C.CS4 |
40884 | CCOC(=O)c1sc(NC(=O)C2CCCO2)c(C(N)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring1][S][C] | c18sc6c9c1C.C17CCCO1.C38=O.C47=O.C9(N)=O.CC5.O35.N46 |
40886 | C=CCc1ccc(OCC(=O)n2nc(C)c(Cl)c2C)c(OC)c1 | [C][=C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | C3C(=O)n1nc(C)c(Cl)c1C.c16ccc4c5c1.C=CC6.O34.O5C |
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