ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1932085 | COC(=O)c1cc(NCc2ccc(CO)o2)cc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][=C][C][Branch1][C][C][=C][Ring1][S][C] | c16cc5cc(C)c1C.c17ccc8o1.C36=O.CO3.N45.C47.C8O |
1932086 | CSc1cc(C(=O)OCCc2cccnc2)ccn1 | [C][S][C][=C][C][Branch1][S][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=N][Ring1][P] | c17cc5ccn1.c16cccnc1.C35=O.C4C6.CS7.O34 |
1932087 | Cc1ccc2cc(C(=O)OCCCC(N)=O)c(C)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Cc1ccc2cc5c(C)nc2c1.C4CCC(N)=O.C35=O.O34 |
1932089 | CC(CNC(=O)N(C)CC1CCCCC1O)Cn1cccn1 | [C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][N][C][=C][C][=N][Ring1][Branch1] | C17CCCCC1O.CC(C4)C6.n16cccn1.C23=O.N35C.N24.C57 |
1932090 | CC(NC(=O)NCc1ccc(OC2CCCCC2)cc1)c1nc[nH]n1 | [C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][N][=C][NH1][N][=Ring1][Branch1] | c1%10ccc6cc1.C15CCCCC1.c19nc[nH]n1.CC79.C34=O.N37.N48.C8%10.O56 |
1932091 | Cc1ncsc1CNC(=O)N(C)CC1CCCCC1O | [C][C][N][=C][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][O] | C17CCCCC1O.Cc1ncsc16.C23=O.N35C.C46.N24.C57 |
1932095 | O=C(NC1CCc2c(O)cccc21)N1CCCCC1c1cn[nH]c1 | [O][=C][Branch2][Ring1][C][N][C][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][=N][NH1][C][=Ring1][Branch1] | N3C1CCc2c(O)cccc21.N14CCCCC15.c15cn[nH]c1.O=C34 |
1932096 | O=C(NCc1ccon1)N1CCCCC1c1nnc2n1CCCC2 | [O][=C][Branch1][#Branch2][N][C][C][C][=C][O][N][=Ring1][Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c17nnc2n1CCCC2.N14CCCCC17.c16ccon1.O=C34.N35.C56 |
1932097 | COc1cccc2c1CCC2NC(=O)N1CCCCC1c1cn[nH]c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=N][NH1][C][=Ring1][Branch1] | c15cccc2c1CCC2N3.N14CCCCC16.c16cn[nH]c1.C34=O.CO5 |
1932098 | CC(C)Cc1ncc(CNC(=O)N(C)CC2CCCCC2O)s1 | [C][C][Branch1][C][C][C][C][=N][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][O][S][Ring2][Ring1][Ring1] | C19CCCCC1O.c17ncc8s1.CC(C)C7.C34=O.N46C.C58.N35.C69 |
1932099 | Cc1cc[nH]c(=O)c1C(=O)NCc1cc(=O)[nH]c2ccccc12 | [C][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c16cc(=O)[nH]c2ccccc12.Cc1cc[nH]c(=O)c15.C35=O.N34.C46 |
1932103 | COc1ccc2cccc(NC(=O)c3cnc4c(c3)ncn4C)c2n1 | [C][O][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1] | c16ccc2cccc7c2n1.c18cnc2c(c1)ncn2C.C58=O.CO6.N57 |
1932104 | Cc1ccc(C(=O)N2CCN(Cc3cnc4cnccn34)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][C][=C][N][=C][C][=N][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][Branch2] | c18cnc2cnccn12.Cc1ccc7cc1.N15CCN6CC1.C57=O.C68 |
1932105 | CCn1nccc1CNc1ccc(C(=O)NC(C)C)c(C)c1 | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][=N] | c15ccc6c(C)c1.n17nccc18.C26=O.C4(C)C.CC7.C38.N35.N24 |
1932106 | Cc1cc(NCc2ccnn2C)ccc1C(=O)NC(C)C | [C][C][=C][C][Branch1][O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | Cc1cc6ccc17.c18ccnn1C.C37=O.C5(C)C.N46.C48.N35 |
1932107 | COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NCc1ccco1 | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][N][C][C][=C][C][=C][O][Ring1][Branch1] | c12ccc(S5(=O)=O)cc16.c17ccco1.C3(C)(C)C.CO2.N35.N46.C47 |
1932109 | Cc1ccc(CNc2ccc(C)c(S(C)(=O)=O)c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][O][Ring2][Ring1][C] | c14ccc(C)c(S(C)(=O)=O)c1.Cc1ccc5o1.C35.N34 |
1932110 | Cc1ccc(NCc2ccnn2C)cc1S(C)(=O)=O | [C][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][=C][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccc4cc1S(C)(=O)=O.c15ccnn1C.N34.C35 |
1932111 | CCc1ccc(CNc2ccc(C)c(S(C)(=O)=O)c2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][O][Ring2][Ring1][C] | c14ccc(C)c(S(C)(=O)=O)c1.c15ccc6o1.CC5.C36.N34 |
1932112 | COC(=O)c1cc(NCc2ccnn2C)ccc1Br | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][Ring1][=C][Br] | c16cc5ccc1Br.c17ccnn1C.C36=O.CO3.N45.C47 |
1932114 | CCOc1cc(C(=O)N(C)C)ccc1NCc1occc1C | [C][C][O][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][O][N][C][C][O][C][=C][C][=Ring1][Branch1][C] | c14cc7ccc16.c18occc1C.C27=O.N2(C)C.CC3.O34.N56.C58 |
1932115 | CCOc1cc(C(=O)N(C)C)ccc1NCc1cc(C)oc1C | [C][C][O][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][O][N][C][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C] | c14cc7ccc16.c18cc(C)oc1C.C27=O.N2(C)C.CC3.O34.N56.C58 |
1932117 | CCOc1cc(C(=O)N(C)C)ccc1NCc1ccnn1C | [C][C][O][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][O][N][C][C][=C][C][=N][N][Ring1][Branch1][C] | c14cc7ccc16.c18ccnn1C.C27=O.N2(C)C.CC3.O34.N56.C58 |
1932118 | CCNS(=O)(=O)C1CCN(Cc2c[nH]nc2C(C)(C)C)C1 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][Branch1][P][C][C][=C][NH1][N][=C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C] | S5(=O)(=O)C1CCN4C1.c17c[nH]nc16.C6(C)(C)C.CC3.N35.C47 |
1932119 | CCOC(=O)c1cnn(C2CCCN(Cc3cc(C#N)cs3)C2)c1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][#Branch1][C][C][C][C][N][Branch1][=N][C][C][=C][C][Branch1][Ring1][C][#N][=C][S][Ring1][#Branch1][C][Ring1][=C][C][=Ring2][Ring1][Ring1] | C19CCCN6C1.c18cc(C#N)cs1.c17cnn9c1.C47=O.CC5.O45.C68 |
1932120 | COCCN1CCN(Cc2cnc(C)n2-c2ccccc2)CC1=O | [C][O][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][C][=C][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][=O] | N15CCN4CC1=O.c16cnc(C)n17.c17ccccc1.C3C5.CO3.C46 |
1932121 | COCCN1CCN(Cc2cnc(C3CC3)s2)CC1=O | [C][O][C][C][N][C][C][N][Branch1][S][C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][C][C][Ring1][#C][=O] | N16CCN5CC1=O.c17cnc8s1.C4C6.C18CC1.CO4.C57 |
1932122 | CCCCS(=O)(=O)N1CCN(C(C#N)c2ccccc2)CC1 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | CCCCS4(=O)=O.N14CCN3CC1.c15ccccc1.C35C#N |
1932123 | Cc1nc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)no1 | [C][C][=N][C][Branch2][Ring1][#Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][O][Ring2][Ring1][Ring1] | c16ccc(Cl)cc1Cl.Cc1nc5no1.S4(=O)(=O)C6.C35.N34 |
1932127 | O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(CCO)CC1 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][NH1][Ring1][N][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2] | c16ccc(Cl)cc1.N13CCN4CC1.c15cc6n[nH]1.O=C35.C4CO |
1932128 | CCc1nnc(NC(=O)c2ccc(C)c(S(N)(=O)=O)c2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][O][S][Ring2][Ring1][Ring1] | c15ccc(C)c(S(N)(=O)=O)c1.c16nnc4s1.C35=O.CC6.N34 |
1932129 | CCn1c(CN2CCOCC2)nc2cc(OC)c(OC)cc2c1=O | [C][C][N][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][=O] | n16c7nc2cc3c4cc2c1=O.N15CCOCC1.CC6.C57.O3C.O4C |
1932130 | COc1ccc(OC)c(CC(=O)Nc2ccc3[nH]ncc3c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | c17ccc2[nH]ncc2c1.c15ccc6c8c1.C8C4=O.CO5.O6C.N47 |
1932131 | CC1CC(C(=O)N2CCC(OC3CCOCC3)CC2)CC(C)(C)C1 | [C][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][#Branch1] | CC1CC7CC(C)(C)C1.N14CCC5CC1.C16CCOCC1.C47=O.O56 |
1932132 | Cc1noc(C)c1N(C)C(=O)c1cccc(Br)c1Cl | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][Cl] | c14cccc(Br)c1Cl.Cc1noc(C)c13.N23C.C24=O |
1932133 | COC(=O)CNC(=O)C(C)Sc1nc2cc(Cl)ccc2o1 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] | c17nc2cc(Cl)ccc2o1.C4(=O)C6C.C3(=O)C5.CO3.N45.S67 |
1932134 | COC1(CNC(=O)NC(C)c2nc(C)cs2)CCC1 | [C][O][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][C][C][Ring1][P] | c18nc(C)cs1.C159CCC1.C34=O.C78C.CO5.C69.N36.N47 |
1932135 | CC(Cc1ccccc1C(F)(F)F)NC(=O)C1CCCO1 | [C][C][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1] | c15ccccc16.C14CCCO1.CC3C5.C6(F)(F)F.C24=O.N23 |
1932136 | CCC(=O)N1CCC(C(=O)Nc2ncccc2-c2ccccc2)C1 | [C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2] | c15ncccc17.N13CCC6C1.c17ccccc1.CCC3=O.C46=O.N45 |
1932137 | C=CCn1c(SCc2csc(CC)n2)nnc1-c1ccncc1 | [C][=C][C][N][C][Branch1][=C][S][C][C][=C][S][C][Branch1][Ring1][C][C][=N][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | n14c7nnc18.c15csc6n1.c18ccncc1.C=CC4.S37.C35.C6C |
1932138 | COC1(CNC(=O)NCc2cn(C)nc2C(F)(F)F)CCC1 | [C][O][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring2][Ring1][Ring2] | c1%10cn(C)nc18.C159CCC1.C8(F)(F)F.C34=O.CO5.C69.N36.N47.C7%10 |
1932139 | COC1CCCN(Cc2nnc(C(=O)Nc3ccccc3)s2)C1 | [C][O][C][C][C][C][N][Branch2][Ring1][Branch2][C][C][=N][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=C][C][Ring2][Ring1][Branch1] | C15CCCN6C1.c19nnc8s1.c17ccccc1.C48=O.CO5.C69.N47 |
1932140 | COC1CCCN(Cc2nnc(C(=O)Nc3ccc(C)cc3)s2)C1 | [C][O][C][C][C][C][N][Branch2][Ring1][O][C][C][=N][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][#C][C][Ring2][Ring1][=Branch1] | C15CCCN6C1.c17ccc(C)cc1.c19nnc8s1.C48=O.CO5.C69.N47 |
1932142 | CC(=O)NCC(=O)Nc1ccc2cccc(Cl)c2n1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][Ring1][#Branch1][=N][Ring1][O] | c16ccc2cccc(Cl)c2n1.C5C4=O.CC3=O.N35.N46 |
1932143 | CN(Cc1cnc(N(C)C)nc1)Cc1ccccn1 | [C][N][Branch1][P][C][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][=Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16cnc4nc1.c15ccccn1.CN23.N4(C)C.C26.C35 |
1932144 | Cc1nnc(-c2ccccc2C(=O)OCCn2cncn2)o1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][N][C][=N][C][=N][Ring1][Branch1][O][Ring2][Ring1][Branch1] | c17ccccc15.Cc1nnc7o1.n16cncn1.C35=O.C4C6.O34 |
1932145 | Cc1ccc2nc(C)cc(C(=O)OCCC(=O)N(C)C)c2c1 | [C][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1ccc2nc(C)cc6c2c1.C5CC4=O.C36=O.N4(C)C.O35 |
1932146 | CC(=O)NCC(C)OC(=O)c1cc(C)nc2cc(F)ccc12 | [C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][N][Ring1][#Branch1] | c17cc(C)nc2cc(F)ccc12.C6C5C.CC4=O.C37=O.N46.O35 |
1932147 | Cn1cc(CNC(=O)CN2CCCCC2=O)cn1 | [C][N][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=N][Ring1][P] | N15CCCCC1=O.Cn1cc6cn1.C3(=O)C5.C46.N34 |
1932151 | Cc1ccnc(-c2ccc(NC(=O)NCCC3CCCCO3)cc2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2] | Cc1ccnc9n1.c19ccc7cc1.C18CCCCO1.C45=O.C6C8.N47.N56 |
1932152 | COC1(CNC(=O)Nc2ccc(C(C)(C)C)nn2)CCC1 | [C][O][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=N][Ring1][#Branch2][C][C][C][Ring2][Ring1][Ring1] | c17ccc8nn1.C159CCC1.C8(C)(C)C.C34=O.CO5.C69.N36.N47 |
1932153 | Cc1noc(C)c1CNC(=O)Nc1ccc(Cl)c(OC(F)F)c1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][O] | c16ccc(Cl)c4c1.Cc1noc(C)c17.O4C(F)F.C23=O.C57.N25.N36 |
1932154 | Cc1n[nH]c(C)c1C(C)CC(=O)N(C)Cc1cnc(N(C)C)nc1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][=Branch2] | Cc1n[nH]c(C)c15.c16cnc4nc1.C5(C)CC2=O.N23C.N4(C)C.C36 |
1932155 | CC1CCN(Cc2cn(C)c(=O)n(C)c2=O)c2ccccc21 | [C][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][=Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | CC1CCN3c2ccccc21.c14cn(C)c(=O)n(C)c1=O.C34 |
1932157 | CNS(=O)(=O)c1ccc(NCc2ccco2)cc1OC | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=N][O][C] | S5(=O)(=O)c1ccc6cc13.c17ccco1.CN5.N46.C47.O3C |
1932158 | Cc1ncccc1CN1CC(CCN2CCCC2=O)c2ccccc21 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][Branch1][O][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | N13CC(CC4)c2ccccc21.Cc1ncccc15.N14CCCC1=O.C35 |
1932159 | CCc1ccc(CNc2ccc(S(=O)(=O)N(C)C)c(OC)c2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=C][O][Ring2][Ring1][Branch1] | c16ccc(S5(=O)=O)c3c1.c17ccc8o1.N5(C)C.CC7.C48.N46.O3C |
1932160 | COc1cc(NCc2occc2C)ccc1S(=O)(=O)N(C)C | [C][O][C][=C][C][Branch1][O][N][C][C][O][C][=C][C][=Ring1][Branch1][C][=C][C][=C][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] | c13cc6ccc1S5(=O)=O.c17occc1C.N5(C)C.CO3.N46.C47 |
1932161 | COc1cc(NCc2ccco2)ccc1S(=O)(=O)N(C)C | [C][O][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] | c13cc6ccc1S5(=O)=O.c17ccco1.N5(C)C.CO3.N46.C47 |
1932162 | O=C1CCC(COC(=O)CCNC(=O)c2ccc(F)cc2F)N1 | [O][=C][C][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][Ring2][Ring1][=Branch1] | c17ccc(F)cc1F.O=C1CCC8N1.C3(=O)CC6.C47=O.C58.O35.N46 |
1932163 | O=C(Nc1nnc2n1CCCC2)c1cccc2cc[nH]c12 | [O][=C][Branch1][#C][N][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1] | c14nnc2n1CCCC2.c15cccc2cc[nH]c12.O=C35.N34 |
1932165 | CC(CNC(=O)C1CC1C)COCc1ccccc1 | [C][C][Branch1][=N][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc1.CC(C3)C5.C16CC1C.C26=O.N25.O34.C47 |
1932166 | O=C(NCc1ccco1)c1ccccc1NCc1nccn1C(F)F | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F] | c16ccccc15.c19nccn17.c18ccco1.O=C26.C7(F)F.N23.C38.N45.C49 |
1932169 | CCn1cc(CN2CCN(C(C)=O)CC2(C)C)cn1 | [C][C][N][C][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][Branch1][C][C][C][C][=N][Ring1][P] | N14CCN3CC1(C)C.n15cc6cn1.C3(C)=O.CC5.C46 |
1932170 | COC(C(=O)Nc1ccccc1N1CCC(O)CC1)c1ccccc1 | [C][O][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc15.N15CCC(O)CC1.c16ccccc1.C36C2=O.CO3.N24 |
1932172 | COC(C(=O)NC(C)(C)c1nccs1)c1ccccc1 | [C][O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.C36C2=O.c15nccs1.C45(C)C.CO3.N24 |
1932174 | COCC(C)(NC(=O)Cc1cccc(O)c1)c1ccccc1 | [C][O][C][C][Branch1][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccc(O)c1.c15ccccc1.C3C45C.C2(=O)C6.CO3.N24 |
1932175 | CC(c1ccccc1)N(CC(N)=O)C(=O)Cc1ccc(O)cc1Cl | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Cl] | c16ccc(O)cc1Cl.c15ccccc1.C4C(N)=O.C2(=O)C6.CC35.N234 |
1932176 | CC(CC(=O)c1ccco1)NC(=O)Cc1ccc(O)cc1Cl | [C][C][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Cl] | c15ccc(O)cc1Cl.CC3CC4=O.c14ccco1.C2(=O)C5.N23 |
1932177 | Cn1cnc(-c2ccc(C(=O)NCC3(CCO)CCCCC3)cc2)n1 | [C][N][C][=N][C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][C][O][C][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2] | c19ccc6cc1.C178CCCCC1.Cn1cnc9n1.C46=O.C8CO.N45.C57 |
1932179 | O=C(Cc1ccc(O)cc1Cl)NC1c2ccccc2CC1O | [O][=C][Branch1][=C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Cl][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O] | N3C1c2ccccc2CC1O.c14ccc(O)cc1Cl.O=C3C4 |
1932180 | COC(C(=O)N(C)C1CCCc2c1cnn2C)c1ccccc1 | [C][O][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N3(C)C1CCCc2c1cnn2C.c15ccccc1.C45C3=O.CO4 |
1932181 | O=C1CCC(COC(=O)c2ccc(N3CCCCC3=O)cc2)N1 | [O][=C][C][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][N][Ring2][Ring1][=Branch1] | c16ccc8cc1.N18CCCCC1=O.O=C1CCC7N1.C46=O.C57.O45 |
1932184 | COc1cc(CNC(=O)c2cc(C(C)C)nc3onc(C)c23)ccn1 | [C][O][C][=C][C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][=N][=Ring1][=Branch1][=C][C][=N][Ring2][Ring1][#Branch1] | c17cc8nc2onc(C)c12.c15cc9ccn1.C47=O.C8(C)C.CO5.C69.N46 |
1932185 | CCN(CC1CCCO1)C(=O)C(C)NC(=O)c1ccc(Cl)cc1 | [C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c17ccc(Cl)cc1.C18CCCO1.C2(=O)C6C.N245.C37=O.CC4.C58.N36 |
1932186 | Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] | Cc1ccc5cc1.c16ccccc17.c18cccnc1.C56=O.C37=O.N34C.C48 |
1932187 | CC(C)(C)NC(=O)Nc1ccc(NC(=O)NCC2CCCO2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][S] | c19ccc%10cc1.C1%11CCCO1.CC7(C)C.C34=O.C56=O.N37.N49.N5%10.N68.C8%11 |
1932188 | Cc1cc(NC(=O)c2cc(C(N)=O)cs2)ccc1-n1cnnn1 | [C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][S][Ring1][Branch2][=C][C][=C][Ring1][P][N][C][=N][N][=N][Ring1][Branch1] | Cc1cc4ccc17.c15cc6cs1.n17cnnn1.C35=O.C6(N)=O.N34 |
1932189 | NS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][P] | NS(=O)(=O)N1CCN4CC1.c15ccccc1F.C4C3=O.N35 |
1932190 | Cc1cccc(-c2nnc(CN3CCN(S(N)(=O)=O)CC3)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][C][=N][N][=C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][O][Ring1][S][=C][Ring2][Ring1][=Branch1] | N14CCN(S(N)(=O)=O)CC1.Cc1cccc6c1.c16nnc5o1.C45 |
1932191 | CCSc1cc(C(=O)N2CCN(CCO)CC2)ccn1 | [C][C][S][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][=C][C][=N][Ring1][P] | c17cc6ccn1.N13CCN4CC1.C36=O.C4CO.CC5.S57 |
1932192 | CSc1cc(C(=O)N2CCN(CCO)CC2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][=C][C][=N][Ring1][P] | c16cc5ccn1.N13CCN4CC1.C35=O.C4CO.CS6 |
1932193 | COc1ccc(-c2n[nH]cc2C(=O)NCCc2csc(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc8cc1.c18n[nH]cc16.c17csc(C)n1.C36=O.C5C7.CO4.N35 |
1932194 | CCc1nc(COC(=O)CC2CCCC2)cs1 | [C][C][C][=N][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][=C][S][Ring1][#C] | c15nc6cs1.C17CCCC1.C3(=O)C7.CC5.C46.O34 |
1932195 | COc1ccc(OC)c(CC(=O)N(C)C2CCc3ccccc32)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] | N4(C)C1CCc2ccccc21.c15ccc6c7c1.C7C4=O.CO5.O6C |
1932196 | CN(C(=O)Cc1ccc(O)cc1)C1CCc2ccccc21 | [C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | CN3C1CCc2ccccc21.c14ccc(O)cc1.C3(=O)C4 |
1932197 | COc1ccc(OC)c(CC(=O)N2CCC(c3nc(C)no3)CC2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][#Branch1] | c15ccc6c7c1.N14CCC8CC1.c18nc(C)no1.C7C4=O.CO5.O6C |
1932198 | CSc1cc(C(=O)N(C)C2CCCC(C)C2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=C][C][=N][Ring1][P] | c16cc5ccn1.C14CCCC(C)C1.C35=O.N34C.CS6 |
1932199 | Cc1cc(C)cc(N2CCC(C(=O)N(C)C(C)c3ccco3)C2=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][S][=O][=C][Ring2][Ring1][Branch2] | Cc1cc8cc(C)c1.N18CCC6C1=O.c17ccco1.C46=O.N45C.C57C |
1932200 | CC1(C)CN(C(=O)C2CCN(c3ccc(Cl)cc3)C2=O)CCO1 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][N][=O][C][C][O][Ring2][Ring1][=Branch1] | CC1(C)CN4CCO1.C15CCN6C1=O.c16ccc(Cl)cc1.C45=O |
1932201 | Cc1cc(C)cc(N2CCC(C(=O)N3CCOC(C)(C)C3)C2=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=C][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][Ring1][#C][=O][=C][Ring2][Ring1][#Branch1] | Cc1cc6cc(C)c1.N14CCOC(C)(C)C1.N16CCC5C1=O.C45=O |
1932202 | Cc1ccc(N2CCC(C(=O)N3CCOC(C)(C)C3)C2=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc6cc1C.N14CCOC(C)(C)C1.N16CCC5C1=O.C45=O |
1932203 | CC1(C)CN(C(=O)C2CCN(c3cc(F)cc(F)c3)C2=O)CCO1 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=N][=O][C][C][O][Ring2][Ring1][#Branch1] | CC1(C)CN4CCO1.c16cc(F)cc(F)c1.C15CCN6C1=O.C45=O |
1932204 | Cc1ccc(N2CCC(C(=O)N3CCOC(C)(C)C3)C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | N14CCOC(C)(C)C1.Cc1ccc6cc1.N16CCC5C1=O.C45=O |
1932205 | O=C(NCC1CCCO1)C1CCCCN1C(=O)c1cccs1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | C15CCCCN13.C17CCCO1.c16cccs1.O=C25.C36=O.N24.C47 |
1932206 | O=S(=O)(NCCc1nnc2ccccn12)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][P][N][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | O=S(=O)(N3)N1CCCCC1.c14nnc2ccccn12.C3C4 |
1932207 | CCC1CCCCC1OC(=O)C1CC(=O)Nc2cc(F)ccc21 | [C][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][N] | C3(=O)C1CC(=O)Nc2cc(F)ccc21.C15CCCCC14.CC5.O34 |
1932208 | CC(=O)c1c(F)cccc1NCCc1csc(C)n1 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][C][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1] | c14c3cccc1F.c15csc(C)n1.CC4=O.C2C5.N23 |
1932209 | Cc1cc(S(=O)(=O)N(C)C(C)C2CC2)c(C)s1 | [C][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][C][Ring1][Ring1][=C][Branch1][C][C][S][Ring1][S] | Cc1cc(S4(=O)=O)c(C)s1.N34C.C35C.C15CC1 |
1932210 | CC1CCCC(OC(=O)C2CC(=O)Nc3cc(F)ccc32)C1 | [C][C][C][C][C][C][Branch2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][N][C][Ring2][Ring1][Branch1] | C4(=O)C1CC(=O)Nc2cc(F)ccc21.CC1CCCC5C1.O45 |
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