ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
11808 | COc1ccc(-c2nc3ccccc3c(=O)o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][C][=C][Ring1][P][O][C] | c16nc2ccccc2c(=O)o1.c14ccc6cc15.CO4.O5C |
11809 | c1ccc(CNc2ncnc3c2cnn3Cc2ccccc2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] | c15ncnc2c1cnn26.c1ccc7cc1.c18ccccc1.C47.N45.C68 |
11810 | CNc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O | [C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O] | c14nc2ccccc2[nH]c1=O.c13ccc(Br)cc14.CN3 |
11811 | Cn1c(=O)c(-c2ccccc2N)nc2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | Cn1c(=O)c3nc2ccccc21.c13ccccc1N |
11812 | Nc1ccccc1-c1nc2cc3ccccc3cc2[nH]c1=O | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][NH1][C][Ring1][=C][=O] | c14nc2cc3ccccc3cc2[nH]c1=O.Nc1ccccc14 |
11818 | CCOc1ccc(Cc2cnc(SC)nc2N)cc1 | [C][C][O][C][=C][C][=C][Branch1][#C][C][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][N][C][=C][Ring1][S] | c16cnc7nc1N.c14ccc5cc1.CC3.O34.C56.S7C |
11819 | COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c13ccc(S5(=O)=O)cc1.c16ccccc1.C4C6.CO3.N45 |
11820 | CC(C)(C)C(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][#C][=O] | n14cnc2scc5c2c1=O.CC(C)(C)C(=O)C4.c15ccccc1 |
11822 | CCOc1ccc(C(=O)Nc2nccs2)cc1Br | [C][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][Br] | c15ccc7cc1Br.c16nccs1.C37=O.CC4.O45.N36 |
11823 | CC(=O)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | n17cnc2ccccc21.c16ccc5cc1.C4C(O)C7.CC6=O.O45 |
11824 | CC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | n17c(C)nc2ccccc21.c16ccc5cc1.C4C(O)C7.CC6=O.O45 |
11825 | CCn1c2ccccc2c2nnc(SCC(N)=O)nc21 | [C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=C][Ring1][O][Ring2][Ring1][C] | n14c2ccccc2c2nnc5nc21.C3C(N)=O.CC4.S35 |
11826 | CC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][S][C][C][Ring2][Ring1][=Branch1] | c15nc6c2ccccc2n1.N14CCN5CC1.c16ccccc1.CC4=O |
11827 | CCSc1nnc2c3ccccc3n(CC)c2n1 | [C][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring1][C][C][C][Ring1][O][=N][Ring1][#C] | c16nnc2c3ccccc3n5c2n1.CC4.S46.C5C |
11828 | Cc1ccc(Nc2nc3nonc3nc2N(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1] | c14nc2nonc2nc15.Cc1ccc6cc1.N5(C)C.N46 |
11829 | CCSc1nnc2c(n1)OC(c1ccccn1)Nc1ccccc1-2 | [C][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | c14nnc2c(n1)OC5Nc1ccccc1-2.c15ccccn1.CC3.S34 |
11830 | COc1ccc2oc(=Nc3ccccc3C(N)=O)c(C(N)=O)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][#C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c14ccc2oc(=Nc3ccccc35)c6cc2c1.C5(N)=O.C6(N)=O.CO4 |
11831 | Cc1cnc(NC(=O)c2ccc3c(c2)OCO3)s1 | [C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Ring1][P] | c16ccc2c(c1)OCO2.Cc1cnc5s1.C46=O.N45 |
11832 | CC(=O)Nc1c(C(N)=O)oc2ccc(Cl)cc12 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][=N][Ring1][#Branch1] | c14c5oc2ccc(Cl)cc12.CC3=O.C5(N)=O.N34 |
11834 | O=C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N] | c15ccccc1F.N13CCN4CC1.c14cccc(Cl)c1.O=C35 |
11838 | Cc1onc(-c2ccccc2)c1C(=O)NC(C)c1ccccc1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1onc7c15.c17ccccc1.c16ccccc1.C35=O.C46C.N34 |
11839 | CSc1nnc2c(n1)OC(c1ccccn1)Nc1ccccc1-2 | [C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | c13nnc2c(n1)OC4Nc1ccccc1-2.c14ccccn1.CS3 |
11840 | CCSc1nnc2c(n1)OC(CC)Nc1ccccc1-2 | [C][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][Ring1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | c15nnc2c(n1)OC4Nc1ccccc1-2.CC3.S35.C4C |
11841 | O=C(Nc1ccccc1Cl)c1ccc(-n2cnnn2)cc1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c14ccccc1Cl.c15ccc6cc1.n16cnnn1.O=C35.N34 |
11844 | OCc1cn(-c2ccccc2)nc1-c1cccs1 | [O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][S][Ring1][Branch1] | c13cn4nc15.c14ccccc1.c15cccs1.OC3 |
11846 | OCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 | [O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15cc2ccccc2o1.c13cn4nc15.c14ccccc1.OC3 |
11848 | CCOc1ccc(C(=O)Nc2cccc(C)n2)cc1OCC | [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][O][C][C] | c16ccc9cc17.c18cccc(C)n1.C39=O.CC4.O46.N38.O57.C5C |
11849 | CCOC(=O)N1CCN(c2cc(C)c(C(C)=O)cc2F)CC1 | [C][C][O][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] | c16cc(C)c7cc1F.N14CCN6CC1.C34=O.C7(C)=O.CC5.O35 |
11850 | CCn1c(C)nc2cc(S(=O)(=O)N(C)C)ccc21 | [C][C][N][C][Branch1][C][C][=N][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][N][Ring1][S] | n14c(C)nc2cc(S3(=O)=O)ccc21.N3(C)C.CC4 |
11851 | CCn1c(C)nc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | [C][C][N][C][Branch1][C][C][=N][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring2] | n16c(C)nc2cc(S4(=O)=O)ccc21.c15ccccc1.CC6.N45 |
11852 | CCn1c(C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 | [C][C][N][C][Branch1][C][C][=N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring1] | n15c(C)nc2cc(S4(=O)=O)ccc21.N14CCOCC1.CC5 |
11854 | O=C(COc1ccccc1Cl)Nc1c[nH]c(=O)[nH]c1=O | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | c15c[nH]c(=O)[nH]c1=O.c14ccccc1Cl.O=C2C3.O34.N25 |
11855 | CC1(C)Cc2c(C#N)c(N)n(-c3ccccc3)c(=O)c2CO1 | [C][C][Branch1][C][C][C][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][S][C][O][Ring2][Ring1][Branch1] | CC1(C)Cc2c(C#N)c(N)n4c(=O)c2CO1.c14ccccc1 |
11856 | COc1cc(C(=O)N2CC(C)OC(C)C2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c14cc7cc5c16.N13CC(C)OC(C)C1.C37=O.CO4.O5C.O6C |
11858 | CC(C)(O)C#Cc1ccc(C(=O)NCc2ccco2)cc1 | [C][C][Branch1][C][C][Branch1][C][O][C][#C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C] | CC(C)(O)C#Cc1ccc5cc1.c16ccco1.C35=O.N34.C46 |
11859 | O=C(NCc1ccco1)c1ccc(C#Cc2ccccc2)cc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c15ccc(C#Cc2ccccc2)cc1.c16ccco1.O=C35.N34.C46 |
11860 | COc1ccc(C2CC(=O)c3cnc(N)nc3C2)cc1 | [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] | C15CC(=O)c2cnc(N)nc2C1.c14ccc5cc1.CO4 |
11861 | CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1C | [C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c17nc2ccccc2n15.c16ccccc1C.c14nonc17.CC3=O.N34.C56 |
11862 | CNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 | [C][N][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13oc4nc1S(=O)(=O)c1ccccc1.c14ccc(F)cc1.CN3 |
11863 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc2c(c1)OCCO2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | C3(=O)C1=C(C)NC(=O)NC15.c15ccc2c(c1)OCCO2.CC4.O34 |
11864 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1F | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C2(=O)C1=C(C)N(C)C(=O)NC14.c14ccccc1F.CC3.O23 |
11865 | COC(=O)Nc1c(-c2ccccc2)nc2ccccn12 | [C][O][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1] | c15c6nc2ccccn12.c16ccccc1.C34=O.CO3.N45 |
11866 | O=C(CSc1ncnc2ccccc12)Nc1ccccc1 | [O][=C][Branch1][P][C][S][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ncnc2ccccc12.c15ccccc1.O=C3C4.S46.N35 |
11867 | Cc1ccnc(SCC(=O)N2CCOCC2)n1 | [C][C][=C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][S] | Cc1ccnc5n1.N13CCOCC1.C4C3=O.S45 |
11870 | O=C(Cn1cnc2ccccc2c1=O)OCc1ccccc1 | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15cnc2ccccc2c1=O.c16ccccc1.O=C3C5.O34.C46 |
11871 | Oc1ccc(-c2csc(-c3ccncc3)n2)c(O)c1 | [O][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][C][Branch1][C][O][=C][Ring2][Ring1][C] | Oc1ccc4c(O)c1.c14csc5n1.c15ccncc1 |
11872 | Oc1ccc(-c2csc(-c3cccnc3)n2)c(O)c1 | [O][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][C][Branch1][C][O][=C][Ring2][Ring1][C] | Oc1ccc4c(O)c1.c14csc5n1.c15cccnc1 |
11873 | CCOc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][N][C][C][=C][Ring2][Ring1][Ring1] | n17c(C)c5c6c1C.c14ccc7cc1.C5(C)=O.C6(C)=O.CC3.O34 |
11874 | CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C)c(N)c2)c1C | [C][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][N][=C][Ring1][Branch2][C][=Ring1][P][C] | c13c4c(C)n5c1C.c15ccc(C)c(N)c1.CC3=O.C4(C)=O |
11875 | Clc1ccccc1-c1nnc(-c2cccnc2)o1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O] | Clc1ccccc13.c13nnc4o1.c14cccnc1 |
11877 | Clc1ccc(-c2nnc(-c3cccnc3)o2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] | Clc1ccc4cc1.c14nnc5o1.c15cccnc1 |
11878 | Brc1ccccc1-c1nnc(-c2cccnc2)o1 | [Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O] | Brc1ccccc13.c13nnc4o1.c14cccnc1 |
11879 | Brc1ccccc1-c1nnc(-c2ccncc2)o1 | [Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O] | Brc1ccccc13.c13nnc4o1.c14ccncc1 |
11880 | COc1ccc(-c2nnc(-c3ccncc3)o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][O][C] | c14ccc6cc15.c16nnc7o1.c17ccncc1.CO4.O5C |
11882 | O=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | c15ccccc1Cl.n14nnc5n1.N13CCOCC1.O=C3C4 |
11883 | Cc1cc(C)n(CC(O)COc2ccc(Cl)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][C] | Cc1cc(C)n5n1.c14ccc(Cl)cc1.C5C(O)C3.O34 |
11884 | COC(=O)C1=C(C)NC(=O)NC1c1cccc(Cl)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC13.c13cccc(Cl)c1.CO2 |
11885 | O=C1CC(c2ccccc2)CN1Cc1ccccc1 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1CC5CN13.c15ccccc1.c14ccccc1.C34 |
11886 | O=C(c1ccccc1F)N1CCCC(c2ccccc2)C1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | c14ccccc1F.N13CCCC5C1.c15ccccc1.O=C34 |
11887 | COc1ccc(C(=O)N2CCCC(c3ccccc3)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.N14CCCC7C1.c17ccccc1.C46=O.CO5 |
11889 | COc1ccc(S(=O)(=O)Nc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][O][C] | c13ccc(S5(=O)=O)cc14.c16ccccc1.CO3.N56.O4C |
11890 | COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S6(=O)=O)cc14.c17ccccc1.C5C7.CO3.N56.O4C |
11891 | COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.c16cccc(Cl)c1C.CO3.N56.O4C |
11892 | Cc1ccc(C(CC(=O)N2CCOCC2)c2ccccc2)c(O)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring2][Ring1][#Branch1] | Cc1ccc4c(O)c1.C45CC3=O.N13CCOCC1.c15ccccc1 |
11893 | CCOC(=O)Nc1ccccc1C(=O)N1CCOCC1 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c16ccccc17.N14CCOCC1.C23=O.C47=O.CC5.O25.N36 |
11894 | COC(=O)Nc1ccccc1C(=O)N1CCOCC1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15ccccc16.N14CCOCC1.C23=O.C46=O.CO2.N35 |
11896 | CC(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N][=O] | c14ncc2c(n1)CC5CC2=O.c15cccs1.CC3=O.N34 |
11899 | CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][Branch1][C][C][=C][Branch1][C][Br][C][Ring1][=Branch2][=O] | n12c(=O)[nH]c(C)c(Br)c1=O.CCC2C |
11900 | CCS(=O)(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | c17ccc4c5c1.N16CCN3CC1.CCS6(=O)=O.C37=O.O4C.O5C |
11901 | CCCS(=O)(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#C] | N14CCN3CC1.c15ccccc1Cl.CCCS4(=O)=O.C35=O |
11902 | CCCS(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N16CCN3CC1.CCCS6(=O)=O.c15ccccc1.C3(=O)C4.O45 |
11903 | O=c1c(-c2cscn2)c(C(F)(F)F)oc2cc(O)ccc12 | [O][=C][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1] | O=c1c4c3oc2cc(O)ccc12.c14cscn1.C3(F)(F)F |
11904 | COc1ccc2c(=O)c(-c3csc(C)n3)coc2c1OC | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring1][P][O][C] | c14ccc2c(=O)c6coc2c15.c16csc(C)n1.CO4.O5C |
11905 | COc1ccc2c(=O)c(-c3ccccn3)coc2c1 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring1][P] | c14ccc2c(=O)c5coc2c1.c15ccccn1.CO4 |
11906 | CC(=O)Oc1cc2occ(-c3cscn3)c(=O)c2cc1C | [C][C][=Branch1][C][=O][O][C][=C][C][O][C][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][=C][Ring1][S][C] | c15cc2occ6c(=O)c2cc1C.c16cscn1.CC4=O.O45 |
11907 | COc1ccc2c(=O)c(-c3cscn3)coc2c1 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=C][O][C][Ring1][N][=C][Ring1][S] | c14ccc2c(=O)c5coc2c1.c15cscn1.CO4 |
11908 | CCc1cc2c(=O)c(-c3cscn3)coc2cc1OC | [C][C][C][=C][C][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=C][O][C][=Ring1][N][C][=C][Ring1][S][O][C] | c15cc2c(=O)c6coc2cc14.c16cscn1.CC5.O4C |
11909 | COC(=O)COc1ccc2c(=O)c(-c3csc(C)n3)c(C)oc2c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Branch1][C][C][O][C][Ring1][=C][=C][Ring2][Ring1][C] | c16ccc2c(=O)c7c(C)oc2c1.c17csc(C)n1.C4(=O)C5.CO4.O56 |
11910 | CC(=O)Oc1ccc2c(=O)c(-c3csc(C)n3)coc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring1][P] | c15ccc2c(=O)c6coc2c1.c16csc(C)n1.CC4=O.O45 |
11911 | CCCc1cc2c(=O)c(-c3ccccn3)c(C)oc2cc1OC(C)=O | [C][C][C][C][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][C][O][C][=Ring1][=C][C][=C][Ring2][Ring1][C][O][C][Branch1][C][C][=O] | c16cc2c(=O)c7c(C)oc2cc15.c17ccccn1.CCC6.C4(C)=O.O45 |
11913 | O=C(CSc1nncc2ccccc12)N1CCOCC1 | [O][=C][Branch1][P][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15nncc2ccccc12.N13CCOCC1.O=C3C4.S45 |
11914 | O=C(CSc1ncnc2ccccc12)N1CCCCC1 | [O][=C][Branch1][P][C][S][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c15ncnc2ccccc12.N13CCCCC1.O=C3C4.S45 |
11915 | O=C(CSc1ncnc2ccccc12)N1CCOCC1 | [O][=C][Branch1][P][C][S][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15ncnc2ccccc12.N13CCOCC1.O=C3C4.S45 |
11916 | Cc1cc(N2CCOCC2)nc(SCC(=O)c2ccccc2)n1 | [C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cc1cc4nc6n1.N14CCOCC1.c15ccccc1.C3C5=O.S36 |
11918 | CC1=C(C(=O)OCC(C)C)C(c2ccc(F)cc2)NC(=O)N1 | [C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15ccc(F)cc1.C4C(C)C.O34 |
11920 | O=C1NC(c2cccc(F)c2)Nc2sc3c(c21)CCCC3 | [O][=C][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][Ring1][S][C][C][C][C][Ring1][#Branch1] | O=C1NC4Nc2sc3c(c21)CCCC3.c14cccc(F)c1 |
11921 | Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc9cc1.c16ccc7cc1.c18ccco1.C49=O.C58=O.N46.N57 |
11922 | CCOc1ccc(-n2cc(O)c(C(=O)OC)c2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][Branch1][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][C][=C][Ring1][P] | n17cc(O)c6c1C.c15ccc7cc1.C36=O.CC4.O45.O3C |
11924 | COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1] | C3(=O)C1=C(C)N6C(=O)C1.c17ccc4c5c1.C6C7.CO3.O4C.O5C |
11925 | CC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 | [C][C][=Branch1][C][=O][N][N][C][=N][C][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | CC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 |
11926 | CCCC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 | [C][C][C][C][=Branch1][C][=O][N][N][C][=N][C][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | CCCC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 |
11927 | CCOC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][#C] | C16CCN4CC1.c17cccc(F)c1.C36=O.C47=O.CC5.O35 |
11929 | COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring1][P][O][C] | c14ccc7cc15.N13CCC6CC1.C37=O.C6(N)=O.CO4.O5C |
11930 | COc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c17ccc8cc1.C4C3=O.C8(N)=O.CO5.O46.N37 |
11931 | COc1ccc(OCC(=O)Nc2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc6cc1.c17cccnc1.C4C3=O.CO5.O46.N37 |
11933 | COc1ccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][#N][C][=C][Ring2][Ring1][Ring2] | c15nc(C)cc(C)c1C#N.c14ccc6cc1.N356.C3(C)=O.CO4 |
11936 | O=S(=O)(Nc1ccccc1CO)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S2(=O)c1ccc(Cl)cc1.c13ccccc14.N23.C4O |
11937 | COc1ccc2oc(=O)c(C(=O)Nc3ccc(C(C)=O)cc3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][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][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c15ccc2oc(=O)c7cc2c1.c16ccc8cc1.C47=O.C8(C)=O.CO5.N46 |
11939 | NS(=O)(=O)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1Cl | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][Cl][C][=C][Ring1][S][Cl] | NS(=O)(=O)c1cc5c(Cl)cc1Cl.c14ccccc1.C35=O.N34 |
11940 | CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccnc2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C] | S6(=O)(=O)c1cccc8c1.c17cccnc1.N456.C38=O.CC4.C5C.N37 |
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