ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
34806 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCc1ccco1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17cnc9nc16.n19nc(C)cc1C.c18ccco1.C37=O.CC4.O34.N56.C58 |
34807 | COc1ccc(CSc2nnc(-c3cccnc3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c17nnc8n1C.c18cccnc1.CO4.C56.S57 |
34808 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][N][C][C][C][C][C][Ring1][=Branch1] | c16cnc7nc15.n17nc(C)cc1C.N15CCCCC1.C36=O.CC4.O34 |
34809 | C=CCn1c(C2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 | [C][=C][C][N][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | n14c6nc2ccccc21.C16CC(=O)N5C1.c15ccc(C)cc1.C=CC4 |
34810 | COc1cccc(C(=O)N(C)CCc2ccccn2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | c14cccc6c1.c17ccccn1.C36=O.N35C.C5C7.CO4 |
34811 | C=CCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc21 | [C][=C][C][N][C][Branch1][C][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1] | n17c(N)c6c2nc3ccccc3nc21.C5CC(C)C.C=CC7.C46=O.N45 |
34812 | CCCn1nnc(NC(=O)c2ccc(OC(C)C)cc2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C] | c17ccc5cc1.n18nnc6n1.CCC8.C37=O.C4(C)C.N36.O45 |
34813 | COc1cc(C(=O)Nc2ncccn2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc8cc5c16.c17ncccn1.C38=O.CO4.N37.O5C.O6C |
34814 | Nn1c(SCc2nc3ccccc3[nH]2)nnc1C1CCCCC1 | [N][N][C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][N][=C][Ring1][S][C][C][C][C][C][C][Ring1][=Branch1] | c15nc2ccccc2[nH]1.Nn1c6nnc17.C17CCCCC1.S46.C45 |
34816 | O=C(COc1ccc(Br)cc1)Nc1ncccn1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=N][C][=C][C][=N][Ring1][=Branch1] | c14ccc(Br)cc1.c15ncccn1.O=C2C3.O34.N25 |
34817 | Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 | [N][N][C][Branch2][Ring1][Branch1][S][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][N][=C][Ring1][P][C][=C][C][=C][O][Ring1][Branch1] | Nn1c6nnc17.c14cccc5c1.c17ccco1.C5(F)(F)F.S36.C34 |
34818 | Cn1c(SCc2c(F)cccc2Cl)nnc1-c1cnccn1 | [C][N][C][Branch1][#C][S][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=N][N][=C][Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14c(F)cccc1Cl.Cn1c5nnc16.c16cnccn1.S35.C34 |
34821 | Nn1c(SCc2ccccc2F)nnc1-c1ccncc1 | [N][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Nn1c5nnc16.c14ccccc1F.c16ccncc1.S35.C34 |
34822 | Cn1c(SCC(=O)C(C)(C)C)nnc1-c1cccnc1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c3nnc14.C2C(=O)C(C)(C)C.c14cccnc1.S23 |
34823 | c1csc(Cc2nn3c(-c4ccncc4)nnc3s2)c1 | [C][=C][S][C][Branch2][Ring1][Branch2][C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][=C][Ring2][Ring1][Ring2] | c16nn2c7nnc2s1.c17ccncc1.c1csc5c1.C56 |
34824 | COc1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][S][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c17nn2c6nnc2s1.c15ccc7cc1.c16ccco1.CO5 |
34825 | COc1ccccc1C1CC(c2ccc(F)cc2)Nc2nc(N)nn21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][C][N][=N][N][Ring1][=Branch1][Ring1][P] | c13ccccc1C1CC4Nc2nc(N)nn21.c14ccc(F)cc1.CO3 |
34826 | O=C(c1ccc(Cl)cc1)N1CCCC(C(=O)N2CCCCC2)C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C] | c16ccc(Cl)cc1.N13CCCC5C1.N14CCCCC1.O=C36.C45=O |
34827 | Cc1c(C(=O)Nc2ccccc2)cnc2c(-c3ccccc3)cnn12 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring2][Ring1][Branch2][Ring1][O] | Cc1c6cnc2c7cnn12.c15ccccc1.c17ccccc1.C46=O.N45 |
34828 | Cc1cc(OCC(=O)Nc2nnn(C)n2)cc(C)c1Cl | [C][C][=C][C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][C][Cl] | Cc1cc5cc(C)c1Cl.c16nnn(C)n1.C4C3=O.O45.N36 |
34829 | COc1cccc(C2CC(c3ccc(F)cc3)n3ncnc3N2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring1][S][=C][Ring2][Ring1][=Branch1] | C15CC(c2ccc(F)cc2)n2ncnc2N1.c14cccc5c1.CO4 |
34830 | O=C(Cc1coc2ccc3ccccc3c12)Nc1ccncc1 | [O][=C][Branch2][Ring1][Branch1][C][C][=C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=N][Ring1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16coc2ccc3ccccc3c12.c15ccncc1.O=C4C6.N45 |
34831 | Cc1cc(Oc2ccc(=O)n(C)n2)nc(SCC(N)=O)n1 | [C][C][=C][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][Ring2][Ring1][Ring2] | Cc1cc3nc6n1.c14ccc(=O)n(C)n1.C5C(N)=O.O34.S56 |
34832 | O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccccn1 | [O][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | O=C4CN1C(=O)c2cccc3cccc1c23.c16ccccn1.N45.C56 |
34834 | COc1ccc(CSc2nnc(-c3ccco3)n2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][N][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.c17nnc8n1N.c18ccco1.CO4.C56.S57 |
34835 | NC(=O)CSc1nnc(-c2ccncc2)n1N | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][N] | c14nnc5n1N.c15ccncc1.NC(=O)C3.S34 |
34836 | CCN(CC)C(=O)CSc1nnc(C2CCCCC2)n1N | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][O][N] | c17nnc8n1N.C18CCCCC1.C3(=O)C6.N345.CC4.C5C.S67 |
34837 | Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccn1 | [C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cn1c6nnc17.c15cccc(F)c1.c17ccccn1.C4C3=O.S46.N35 |
34838 | Cc1ccc(C2CC(c3ccccc3)n3nc(N)nc3N2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][N][N][=C][Ring1][=Branch1][N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | C14CC(c2ccccc2)n2nc(N)nc2N1.Cc1ccc4cc1 |
34839 | Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccn1 | [C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14ccc(Cl)cc1.c16ccccn1.C3C4=O.S35 |
34840 | CC12CCC(C(=O)N3CCN(c4ncccn4)CC3)(CC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][Branch1][#Branch1][C][C][Ring2][Ring1][Ring2][=O][C][Ring2][Ring1][=Branch1][Branch1][C][C][C] | CC12CCC7(CC1=O)C2(C)C.N15CCN6CC1.c16ncccn1.C57=O |
34841 | Cc1ccc(CSc2nnc(-c3ccco3)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][N][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16nnc7n1N.c17ccco1.C45.S46 |
34842 | CCOc1ccc(-c2nnc(SCC(N)=O)n2N)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][N][C][=C][Ring1][P] | c14ccc7cc1.c17nnc6n1N.C5C(N)=O.CC3.O34.S56 |
34843 | Cc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C] | c15nn2c4nnc2s1.Cc1ccccc15.c14ccccn1 |
34844 | COc1ccc(OC)c(CNc2nc3ccccc3n2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c17nc2ccccc2n1C.c14ccc5c8c1.CO4.O5C.C68.N67 |
34845 | CCSc1nnc(C(C)NC(=O)OC(C)(C)C)o1 | [C][C][S][C][=N][N][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][#C] | c18nnc7o1.C4(C)(C)C.C57C.C23=O.CC6.S68.N35.O24 |
34846 | Cc1cccc(CSc2nnc(-c3cnccn3)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][=C][Ring2][Ring1][Ring2] | Cc1cccc5c1.c16nnc7n1C.c17cnccn1.C45.S46 |
34847 | O=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCCCC2)C1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C] | c16cccc(F)c1.N13CCCC5C1.N14CCCCC1.O=C36.C45=O |
34848 | c1ccc(OCc2nn3c(-c4ccncc4)nnc3s2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=N][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c17nn2c8nnc2s1.c1ccc6cc1.c18ccncc1.O56.C57 |
34849 | Nn1c(SCc2ccccc2)nnc1C1CCCCC1 | [N][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][C][C][C][C][C][Ring1][=Branch1] | Nn1c5nnc16.c14ccccc1.C16CCCCC1.S35.C34 |
34850 | COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][N] | c15nnc6n1N.c16ccc(Cl)cc1.C3(=O)C4.CO3.S45 |
34851 | COC(=O)Cn1cnc2c([nH]c3cc(OC)ccc32)c1=O | [C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][S][NH1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring1][O][C][Ring1][#C][=O] | n16cnc2c([nH]c3cc5ccc32)c1=O.C4(=O)C6.CO4.O5C |
34852 | Cn1c(SCc2ccc(C#N)cc2)nnc1-c1ccco1 | [C][N][C][Branch1][#C][S][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c14ccc(C#N)cc1.Cn1c5nnc16.c16ccco1.S35.C34 |
34853 | Cc1ccccc1CSc1nnc(-c2ccccn2)n1N | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][N] | Cc1ccccc14.c15nnc6n1N.c16ccccn1.C34.S35 |
34854 | Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.c17nnc8n1N.c18ccccc1.C4(=O)C5.N46.S57 |
34855 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCC1CCCO1 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][C][C][C][C][O][Ring1][Branch1] | N15C(=O)c2ccccc2S1(=O)=O.C16CCCO1.O=C3C5.N34.C46 |
34856 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(C)C | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][N][Branch1][C][C][C] | c16cnc7nc15.n17nc(C)cc1C.C36=O.N5(C)C.CC4.O34 |
34857 | CCn1c(C2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | n15c7nc2ccccc21.C17CC(=O)N6C1.c16ccc4cc1.CC5.O4C |
34858 | COc1ccccc1C1CC(c2ccc(C)cc2)Nc2nc(N)nn21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][C][N][=N][N][Ring1][=Branch1][Ring1][P] | c13ccccc1C1CC4Nc2nc(N)nn21.c14ccc(C)cc1.CO3 |
34859 | Cn1c(SCc2cccc(Cl)c2)nnc1-c1cnccn1 | [C][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][N][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14cccc(Cl)c1.c16cnccn1.S35.C34 |
34860 | CC(C)OC(=O)CSc1nnc(-c2ccccc2F)n1N | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][N][N] | c16nnc7n1N.c17ccccc1F.C3(=O)C5.CC4C.O34.S56 |
34861 | CC(C)OC(=O)CSc1nnc(C2CCCCC2)n1N | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][O][N] | c16nnc7n1N.C17CCCCC1.C3(=O)C5.CC4C.O34.S56 |
34862 | CCSc1nnc(CCNC(=O)OC(C)(C)C)o1 | [C][C][S][C][=N][N][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][#C] | c18nnc7o1.C4(C)(C)C.C7C5.C23=O.CC6.S68.N35.O24 |
34863 | Nn1c(SCc2ccc(F)cc2)nnc1-c1ccco1 | [N][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | Nn1c5nnc16.c14ccc(F)cc1.c16ccco1.S35.C34 |
34864 | CC(C)Oc1cccc(-c2nnc(SCC(N)=O)n2N)c1 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][N][=C][Ring1][P] | c14cccc7c1.c17nnc6n1N.C5C(N)=O.CC3C.O34.S56 |
34865 | COc1cccc(OC)c1-c1nn2c(-c3ccccn3)nnc2s1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C] | c17nn2c6nnc2s1.c14cccc5c17.c16ccccn1.CO4.O5C |
34866 | COc1cccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][=C][Ring2][Ring1][Ring2] | C127CCC(C)(C(=O)O1)C2(C)C.c15cccc6c1.C47=O.CO5.N46 |
34867 | Cc1ccccc1CSc1nnc(-c2ccccn2)n1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C] | Cc1ccccc14.c15nnc6n1C.c16ccccn1.C34.S35 |
34868 | COc1cccc(CNc2nc3ccccc3n2C)c1 | [C][O][C][=C][C][=C][C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c16nc2ccccc2n1C.c14cccc7c1.CO4.C57.N56 |
34869 | C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccn1 | [C][=C][C][N][C][Branch1][#C][S][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccc(C#N)cc1.n14c6nnc17.c17ccccn1.C=CC4.S36.C35 |
34870 | Nn1c(SCc2ccccc2F)nnc1-c1ccccn1 | [N][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][=C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Nn1c5nnc16.c14ccccc1F.c16ccccn1.S35.C34 |
34871 | COc1ccc(C2(C#N)CCC(=O)N2c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][Ring1][C][#N][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | C15(C#N)CCC(=O)N14.c13ccc5cc1.c14ccccc1.CO3 |
34872 | CC(C)Sc1nnc(C(C)NC(=O)OC(C)(C)C)o1 | [C][C][Branch1][C][C][S][C][=N][N][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][#C] | c18nnc7o1.C4(C)(C)C.CC6C.C57C.C23=O.S68.N35.O24 |
34873 | COc1ccc(-c2nnc(SCc3ccccc3)n2N)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][N][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc9cc15.c19nnc8n1N.c17ccccc1.CO4.S68.C67.O5C |
34874 | CCn1c(SCc2ccccc2F)nnc1-c1ccccn1 | [C][C][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][=C][C][=C][C][=C][C][=N][Ring1][=Branch1] | n14c6nnc17.c15ccccc1F.c17ccccn1.CC4.S36.C35 |
34875 | Cn1nnc(NC(=O)COc2ccc(Cl)cc2Cl)n1 | [C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][C] | c15ccc(Cl)cc1Cl.Cn1nnc6n1.C3(=O)C4.N36.O45 |
34876 | COc1ccc(-c2nnc(SCC(N)=O)n2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][N][C][=C][Ring1][P] | c13ccc6cc1.c16nnc5n1N.C4C(N)=O.CO3.S45 |
34878 | CCn1c(SCc2cccc(C)c2)nnc1-c1cnccn1 | [C][C][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][N][=C][C][=N][Ring1][=Branch1] | n14c6nnc17.c15cccc(C)c1.c17cnccn1.CC4.S36.C35 |
34879 | C=CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccn1 | [C][=C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=N][C][=C][C][=C][C][=N][Ring1][=Branch1] | n13c4nnc15.C2C(=O)C(C)(C)C.c15ccccn1.C=CC3.S24 |
34880 | CN(C)c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c16nn2c7nnc2s1.c15ccc6cc1.c17ccncc1.CN5C |
34881 | c1coc(-c2nn3c(-c4ccncc4)nnc3s2)c1 | [C][=C][O][C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][=C][Ring2][Ring1][Ring1] | c15nn2c6nnc2s1.c16ccncc1.c1coc5c1 |
34882 | Cn1nnc(NC(=O)c2cccc(Br)c2)n1 | [C][N][N][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][Ring1][#C] | c15cccc(Br)c1.Cn1nnc4n1.C35=O.N34 |
34883 | CCOC(=O)c1c(C)n(C)c2ccc(OC)c(N)c12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][N][=C][Ring1][=C][Ring1][=Branch2] | c16c(C)n(C)c2ccc5c(N)c12.C36=O.CC4.O34.O5C |
34884 | Cc1ccccc1N1CC(c2nc3ccccc3n2C)CC1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Ring1][#C][=O] | c15nc2ccccc2n1C.Cc1ccccc14.N14CC5CC1=O |
34885 | Nn1c(SCc2cccc(F)c2)nnc1C1CCCCC1 | [N][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][C][C][C][C][C][Ring1][=Branch1] | Nn1c5nnc16.c14cccc(F)c1.C16CCCCC1.S35.C34 |
34886 | CCOc1ccc(-c2nnc3sc(C)nn23)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][C][=N][N][=C][S][C][Branch1][C][C][=N][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][#C] | c16nnc2sc(C)nn12.c15ccc6cc1.CC4.O45 |
34887 | Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1 | [N][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][N][=C][Ring1][=Branch1] | Nn1c6nnc17.c15cccc(F)c1.c17cccnc1.C4C3=O.S46.N35 |
34888 | Cc1cccc(-c2nnc(SCC(=O)OC(C)C)n2N)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][Ring1][=N][N][=C][Ring2][Ring1][Ring2] | Cc1cccc7c1.c17nnc6n1N.C5C3=O.C4(C)C.S56.O34 |
34889 | Cc1cc(C)c2c3c(sc2n1)C(=O)N(C)CC(=O)N3 | [C][C][=C][C][Branch1][C][C][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=N] | Cc1cc(C)c2c3c(sc2n1)C(=O)N(C)CC(=O)N3 |
34890 | c1ccc(-c2nnc3n2N=C(c2ccc4c(c2)OCO4)CS3)nc1 | [C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][N][Ring1][Branch1][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][S][Ring1][#C][N][=C][Ring2][Ring1][Branch2] | c15nnc2n1N=C(c1ccc3c(c1)OCO3)CS2.c1ccc5nc1 |
34891 | Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccccn1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14ccccc1.c16ccccn1.C3C4=O.S35 |
34892 | CCn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21 | [C][C][N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][Branch1] | n17nc5c2cc3ccccc3nc21.c16ccco1.C46=O.CC7.N45 |
34894 | c1coc(-c2nnc3sc(Cc4cccs4)nn23)c1 | [C][=C][O][C][Branch2][Ring1][#Branch1][C][=N][N][=C][S][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][=N][N][Ring1][=C][Ring1][O][=C][Ring2][Ring1][Ring1] | c17nnc2sc5nn12.c1coc7c1.c16cccs1.C56 |
34895 | CCn1c(SCc2cc(C)ccc2C)nnc1-c1cnccn1 | [C][C][N][C][Branch1][#C][S][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=N][N][=C][Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | c15cc(C)ccc1C.n14c6nnc17.c17cnccn1.CC4.S36.C35 |
34896 | CCOC(=O)c1cnc(-n2cc(C)cn2)nc1N1CC(C)OC(C)C1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][O][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][N][=C][Ring1][N][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | c16cnc7nc15.N15CC(C)OC(C)C1.n17cc(C)cn1.C36=O.CC4.O34 |
34897 | COc1cccc(-c2nnc(SCC(N)=O)n2N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][N][=C][Ring1][P] | c13cccc6c1.c16nnc5n1N.C4C(N)=O.CO3.S45 |
34899 | Cc1ccc(S(=O)(=O)N=c2ccn(C(F)F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S(=O)(=O)N=c2ccn3cc2)cc1.C3(F)F |
34900 | Nc1nc2n(n1)C(c1ccccc1)CC(c1ccccc1Cl)N2 | [N][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring2][Ring1][Ring2] | Nc1nc2n(n1)C(c1ccccc1)CC3N2.c13ccccc1Cl |
34902 | Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1 | [N][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][C][=N][C][=C][Ring1][=Branch1] | Nn1c6nnc17.c15ccc(F)cc1.c17ccncc1.C4C3=O.S46.N35 |
34904 | Cc1ccccc1CSc1nnc(-c2ccco2)n1N | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][N] | Cc1ccccc14.c15nnc6n1N.c16ccco1.C34.S35 |
34906 | CCn1c(C2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | n14c6nc2ccccc21.C16CC(=O)N5C1.c15ccccc1C.CC4 |
34909 | Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccn1 | [C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][P][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cn1c6nnc17.c15ccccc1F.c17ccccn1.C4C3=O.S46.N35 |
34911 | CC(NC(=O)OC(C)(C)C)c1nnc(SCC(=O)N(C)C)o1 | [C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][O][Ring1][N] | c18nnc9o1.C5(C)(C)C.C7C4=O.CC68.C23=O.N4(C)C.N36.O25.S79 |
34912 | COC(=O)CSc1nnc(-c2cccnc2)n1N | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][N] | c15nnc6n1N.c16cccnc1.C3(=O)C4.CO3.S45 |
34913 | Cc1ccc(OCC(=O)N(C)CCc2ccccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c17ccccn1.C4C3=O.N36C.C6C7.O45 |
34914 | CSc1nc(C)cc(Oc2ccc(=O)n(-c3ccccc3)n2)n1 | [C][S][C][=N][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=N][=N][Ring2][Ring1][Branch1] | c17nc4cc(C)n1.c15ccc(=O)n6n1.c16ccccc1.CS7.O45 |
34915 | Cn1c(SCc2ccccc2)nnc1-c1cnccn1 | [C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][N][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14ccccc1.c16cnccn1.S35.C34 |
34916 | C=CCn1c(C2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 | [C][=C][C][N][C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | n14c6nc2ccccc21.C16CC(=O)N5C1.c15ccccc1C.C=CC4 |
34917 | Nn1c(SCc2ccccc2F)nnc1-c1ccco1 | [N][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | Nn1c5nnc16.c14ccccc1F.c16ccco1.S35.C34 |
34918 | CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccccc1F | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.N13CCCC17.CC5(C)C.C23=O.C47=O.O25.N46 |
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