ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1922085 | O=C(c1ccc2c(c1)CCO2)N1CCC(Cc2ccc(CO)cc2)C1 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][Ring1][=C] | c14ccc2c(c1)CCO2.c16ccc7cc1.N13CCC5C1.O=C34.C56.C7O |
1922086 | CN(Cc1cnn(C)c1)C(=O)C(c1ccc(F)cc1)N(C)C | [C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C] | c16ccc(F)cc1.c15cnn(C)c1.C2(=O)C46.CN23.N4(C)C.C35 |
1922087 | Cc1cc(=O)[nH]c(CCNC(=O)C(c2ccc(F)cc2)N(C)C)n1 | [C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][#Branch1] | Cc1cc(=O)[nH]c6n1.c17ccc(F)cc1.C3(=O)C57.C6C4.N5(C)C.N34 |
1922088 | CC(=O)c1cnc(N2CCN(C(=O)N3CCOCC3)CC2)nc1C | [C][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][N][=C][Ring2][Ring1][Ring2][C] | c17cnc6nc1C.N16CCN4CC1.N15CCOCC1.CC7=O.C45=O |
1922089 | CC(C)OC1CN(c2nnc(C(C)(C)C)o2)CC1O | [C][C][Branch1][C][C][O][C][C][N][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2][C][C][Ring1][=C][O] | C14CN5CC1O.c15nnc6o1.C6(C)(C)C.CC3C.O34 |
1922090 | CN(Cc1cc(-c2ccccc2)no1)c1nc(N)nc2[nH]cnc12 | [C][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=N][C][Branch1][C][N][=N][C][NH1][C][=N][C][Ring1][#Branch2][=Ring1][Branch1] | c14nc(N)nc2[nH]cnc12.c15cc6no1.c16ccccc1.CN34.C35 |
1922091 | CC1(CNCc2cc(=O)c3cccc(F)c3[nH]2)COC1 | [C][C][Branch2][Ring1][Branch2][C][N][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][NH1][Ring1][N][C][O][C][Ring2][Ring1][Ring1] | c16cc(=O)c2cccc(F)c2[nH]1.CC17COC1.C47.N45.C56 |
1922092 | CCc1cnc(NCC(O)c2cccc(O)c2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][=C][Ring1][P] | c15cnc4nc1.c16cccc(O)c1.C3C6O.CC5.N34 |
1922093 | Cc1nnc(N2CCCC(C(=O)c3cccc(Cl)c3)C2)o1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][C][C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][#C][O][Ring2][Ring1][Ring2] | N14CCCC5C1.c16cccc(Cl)c1.Cc1nnc4o1.C56=O |
1922095 | Cc1ccc(-c2nc(CN3CCOCC3)no2)cc1N1CCNC1=O | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring1][N][C][=C][Ring2][Ring1][C][N][C][C][N][C][Ring1][Branch1][=O] | Cc1ccc7cc16.c17nc5no1.N14CCOCC1.N16CCNC1=O.C45 |
1922096 | CN(C)C(C(=O)NCc1ccc(O)cc1)c1ccc(F)cc1 | [C][N][Branch1][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(O)cc1.c15ccc(F)cc1.C35C2=O.CN3C.N24.C46 |
1922097 | O=C(c1cnn2ccccc12)N1CCC(Cc2cccc(CO)c2)C1 | [O][=C][Branch1][=C][C][C][=N][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][C][Ring1][=C] | c14cnn2ccccc12.c16cccc7c1.N13CCC5C1.O=C34.C56.C7O |
1922098 | COc1nccnc1N1CCN(Cc2cccc(Cl)c2)CC1 | [C][O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=C] | c13nccnc15.N15CCN4CC1.c16cccc(Cl)c1.CO3.C46 |
1922099 | CC(C)c1cc(NCC2(Cn3cccn3)CC2)nc(N)n1 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][C][N][C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring1][=Branch2][=N][C][Branch1][C][N][=N][Ring2][Ring1][C] | c17cc5nc(N)n1.n16cccn1.C189CC1.CC7C.N45.C48.C69 |
1922100 | Cc1nc(N(C)C)ncc1C(=O)N1CCOc2ccc(CO)cc2C1 | [C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][Ring1][=N] | N13CCOc2ccc6cc2C1.Cc1nc4ncc15.N4(C)C.C35=O.C6O |
1922101 | Cc1ccc(C(C(=O)N(C)Cc2cccc(O)c2)N(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.c17cccc(O)c1.C46C3=O.N35C.N4(C)C.C57 |
1922102 | CCCc1cc(CN(C)c2cc(CC)ncn2)n[nH]1 | [C][C][C][C][=C][C][Branch2][Ring1][C][C][N][Branch1][C][C][C][=C][C][Branch1][Ring1][C][C][=N][C][=N][Ring1][Branch2][=N][NH1][Ring1][S] | c14cc7ncn1.c15cc6n[nH]1.CCC5.N34C.C36.C7C |
1922103 | Cc1cc(C)c(CNC(=O)C2CCN(C(=O)C3CCCC3)CC2)cn1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C][=N][Ring2][Ring1][Branch2] | Cc1cc(C)c9cn1.C17CCN5CC1.C18CCCC1.C47=O.C58=O.C69.N46 |
1922104 | CN(C)c1nc(NCCc2cnccn2)ncc1F | [C][N][Branch1][C][C][C][=N][C][Branch1][N][N][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][#C][F] | c14nc5ncc1F.c16cnccn1.CN4C.C3C6.N35 |
1922105 | O=C1COc2cccnc2N1Cc1nc2ncccn2n1 | [O][=C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][N][=C][N][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | O=C1COc2cccnc2N1C3.c13nc2ncccn2n1 |
1922106 | CCCCSc1nc(N)cc(N2CCOC(C(N)=O)C2)n1 | [C][C][C][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][S][N][C][C][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][=N][Ring1][S] | c16nc4cc(N)n1.N14CCOC5C1.CCCC3.C5(N)=O.S36 |
1922107 | Cc1ccccc1C(C(=O)N(C)Cc1cnn(C)c1)N(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][Branch1][C][C][C] | Cc1ccccc15.c16cnn(C)c1.C35C2=O.N24C.N3(C)C.C46 |
1922108 | Cc1cc(C)cc(N2CCN(c3cc(C(N)=O)ccn3)CC2=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][O][N][C][C][N][Branch1][S][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=N][Ring1][=Branch2][C][C][Ring1][#C][=O][=C][Ring2][Ring1][#Branch1] | Cc1cc6cc(C)c1.N16CCN4CC1=O.c14cc5ccn1.C5(N)=O |
1922109 | Cc1n[nH]c(C2CCN(c3nnc(C4CCC4)o3)CC2)n1 | [C][C][=N][NH1][C][Branch2][Ring1][#Branch2][C][C][C][N][Branch1][S][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][O][Ring1][=Branch2][C][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | C16CCN5CC1.Cc1n[nH]c6n1.c15nnc7o1.C17CCC1 |
1922110 | CCCOCCn1ncc(N2CCCC2)cc1=O | [C][C][C][O][C][C][N][N][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][Ring1][O][=O] | n16ncc5cc1=O.N15CCCC1.CCC3.C4C6.O34 |
1922111 | COc1coc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1=O | [C][O][C][=C][O][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][C][Ring2][Ring1][=Branch1][=O] | c15coc6cc1=O.N14CCC7CC1.c18ccccc1.C46=O.C7C8.CO5 |
1922112 | COc1cccc2c1OCC(CNC(=O)CN1CCCC1=O)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][=O][C][Ring1][P] | c14cccc2c1OCC7C2.N16CCCC1=O.C3(=O)C6.CO4.C57.N35 |
1922113 | O=c1cc(N2CCCC2)cnn1CCC(F)(F)C(F)F | [O][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=N][N][Ring1][O][C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F] | O=c1cc3cnn14.C4CC(F)(F)C(F)F.N13CCCC1 |
1922114 | COCCN1C(=O)C2CCC1CN(c1nc(C)nc3ncccc13)C2 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][N][Branch2][Ring1][C][C][=N][C][Branch1][C][C][=N][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][Ring2][Ring1][C] | N16C(=O)C2CCC1CN5C2.c15nc(C)nc2ncccc12.C4C6.CO4 |
1922115 | Cc1cccc(C(C(=O)NCCc2nc(C)cc(=O)[nH]2)N(C)C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][Ring1][Branch2][N][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1] | c16nc(C)cc(=O)[nH]1.Cc1cccc7c1.C47C3=O.C5C6.N4(C)C.N35 |
1922117 | O=C(c1ccc(OC(F)F)cc1)N1CCC2(CC1)OCCCC2O | [O][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][Ring1][Branch2][O] | N13CCC2(CC1)OCCCC2O.c15ccc4cc1.O4C(F)F.O=C35 |
1922118 | Cc1nc2c(c(=O)[nH]1)CN(C(=O)C(c1cccc(F)c1)N(C)C)C2 | [C][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][Ring2][Ring1][Branch1] | Cc1nc2c(c(=O)[nH]1)CN3C2.c15cccc(F)c1.C3(=O)C45.N4(C)C |
1922119 | Cc1cc(CC2COCC2Nc2nc(C)nc3onc(C)c23)on1 | [C][C][C][=C][Branch2][Ring1][=N][C][C][C][O][C][C][Ring1][Branch1][N][C][=N][C][Branch1][C][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][O][=Ring1][=Branch1][O][N][=Ring2][Ring1][#Branch1] | c14nc(C)nc2onc(C)c12.Cc1cc6on1.C17COCC15.C67.N45 |
1922120 | CCc1cnc(NCC(c2cccnc2)N2CCOCC2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch1] | c16cnc5nc1.c17cccnc1.N14CCOCC1.C3C47.CC6.N35 |
1922121 | CC1(C)CNC(=O)c2nc(-c3cccnc3)[nH]c2C1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][Ring2][Ring1][C] | CC1(C)CNC(=O)c2nc4[nH]c2C1.c14cccnc1 |
1922123 | CC(Nc1nnc(C2CC2)o1)c1ccc2c(c1)OCCCO2 | [C][C][Branch1][S][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2] | c15ccc2c(c1)OCCCO2.c14nnc6o1.CC35.C16CC1.N34 |
1922124 | Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc3nc(C)c(C)nc3c1)C2 | [C][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][C][C][Branch1][C][C][=N][C][Ring1][Branch2][=C][Ring1][N][C][Ring2][Ring1][=Branch1] | c15ccc2nc(C)c(C)nc2c1.Cc1nc2c(c(=O)[nH]1)CN4C2.C45=O |
1922125 | COc1ccc(OC)c(COC(=O)c2cncc3ccccc23)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c18cncc2ccccc12.c16ccc7c9c1.C48=O.CO6.O7C.C59.O45 |
1922126 | O=C(NC1CCOCC1)c1cccnc1Nc1cccc(F)c1 | [O][=C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16cccnc13.c14cccc(F)c1.C15CCOCC1.O=C26.N25.N34 |
1922127 | Cc1nc(-c2ccc(CNc3nnc(C4CCC4)o3)cc2)no1 | [C][C][=N][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][O][Ring1][=Branch2][C][=C][Ring1][P][=N][O][Ring2][Ring1][=Branch1] | c19ccc7cc1.Cc1nc9no1.c16nnc8o1.C18CCC1.C57.N56 |
1922128 | CC1(CNC(=O)c2cccc(S(N)(=O)=O)c2)COC1 | [C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2][C][O][C][Ring2][Ring1][C] | c15cccc(S(N)(=O)=O)c1.CC16COC1.C35=O.C46.N34 |
1922129 | Cc1nnsc1CN1CC2CCC1CN(S(=O)(=O)N(C)C)C2 | [C][C][N][=N][S][C][=Ring1][Branch1][C][N][C][C][C][C][C][Ring1][=Branch1][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][=N] | N13CC2CCC1CN(S(=O)(=O)N(C)C)C2.Cc1nnsc14.C34 |
1922131 | Cc1ccnc(N2CCC(c3ccncc3)CC2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][Ring2][Ring1][C] | Cc1ccnc4n1.N14CCC5CC1.c15ccncc1 |
1922133 | CN(C)C(C(=O)NCc1ccc(CO)cc1)c1cccc(F)c1 | [C][N][Branch1][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16ccc7cc1.c15cccc(F)c1.C35C2=O.CN3C.N24.C46.C7O |
1922134 | Cc1ccc(C(C(=O)NCc2cc(F)c(F)c(F)c2)N(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][N][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1] | c17cc(F)c(F)c(F)c1.Cc1ccc6cc1.C46C3=O.N4(C)C.N35.C57 |
1922135 | COc1cccc2c1OCC(CNC(=O)c1cccc(C)n1)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][P] | c14cccc2c1OCC7C2.c16cccc(C)n1.C36=O.CO4.C57.N35 |
1922137 | c1ncc(-c2cn(CCSc3cnn[nH]3)nn2)cn1 | [C][=N][C][=C][Branch2][Ring1][Ring2][C][=C][N][Branch1][O][C][C][S][C][=C][N][=N][NH1][Ring1][Branch1][N][=N][Ring1][=N][C][=N][Ring2][Ring1][Ring1] | c1ncc7cn1.c17cn5nn1.c16cnn[nH]1.C5C4.S46 |
1922139 | CCc1ncc(C(=O)NCCc2nc(-c3ccccn3)no2)cn1 | [C][C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=N][Ring2][Ring1][=Branch1] | c17ncc6cn1.c18nc9no1.c19ccccn1.C46=O.C5C8.CC7.N45 |
1922140 | CCc1ncc(C(=O)N(C)C(C)c2ccc3c(c2)OCCO3)cn1 | [C][C][C][=N][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=N][Ring2][Ring1][=Branch1] | c18ccc2c(c1)OCCO2.c17ncc6cn1.C46=O.N45C.C58C.CC7 |
1922141 | Cc1cc(CC2COCC2NC(=O)Cn2nc(C)cc2N)on1 | [C][C][C][=C][Branch2][Ring1][#Branch2][C][C][C][O][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][O][N][=Ring2][Ring1][=Branch1] | n15nc(C)cc1N.Cc1cc6on1.C17COCC14.C3(=O)C5.C67.N34 |
1922142 | CN(C)C(=O)N1CC2CCC(C1)N(C(=O)c1ccnc(N)c1)C2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][Ring1][S] | N14CC2CCC(C1)N5C2.c16ccnc(N)c1.CN3C.C34=O.C56=O |
1922144 | Cc1cccc(CCN2C(=O)COc3ccc(F)cc32)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][N][=N][Ring2][Ring1][Ring2] | C4CN1C(=O)COc2ccc(F)cc21.Cc1cccc4n1 |
1922145 | Cc1cc(CNC(=O)C(c2cccc(F)c2)N(C)C)n(C)n1 | [C][C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Branch1][C][C][C][N][Branch1][C][C][N][=Ring2][Ring1][Branch1] | Cc1cc6n(C)n1.c17cccc(F)c1.C3(=O)C57.N5(C)C.C46.N34 |
1922146 | CC(C)c1ccnc(NCCn2cc(Cl)cn2)n1 | [C][C][Branch1][C][C][C][=C][C][=N][C][Branch1][=C][N][C][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][=N][Ring1][#C] | c16ccnc4n1.n15cc(Cl)cn1.CC6C.C3C5.N34 |
1922147 | CCn1ccc(CN2C(=O)COc3ccc(F)cc32)n1 | [C][C][N][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][N][=N][Ring2][Ring1][C] | C5N1C(=O)COc2ccc(F)cc21.n14ccc5n1.CC4 |
1922148 | COCC(=O)N1CCCC(C(=O)NCCc2noc(C3CC3)n2)C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][Ring2][Ring1][Ring1] | N14CCCC8C1.c19noc%10n1.C6C4=O.C58=O.C7C9.C1%10CC1.CO6.N57 |
1922149 | O=C(c1ccc2nc(-c3ccc(F)cc3)cn2c1)N1CCC1 | [O][=C][Branch2][Ring1][O][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][N][Ring1][N][C][=Ring1][S][N][C][C][C][Ring1][Ring2] | c15ccc2nc6cn2c1.c16ccc(F)cc1.N14CCC1.O=C45 |
1922150 | COc1cccc2c1OCC(Cc1nccnc1OC)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][N][C][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][Ring1][#C] | c14cccc2c1OCC6C2.c15nccnc13.CO4.C56.O3C |
1922151 | CCc1nc2ccccc2n1C(CC)C(=O)N(C)Cc1noc(C)n1 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1] | c16nc2ccccc2n15.C5(CC)C3=O.c17noc(C)n1.N34C.CC6.C47 |
1922152 | Cc1cccc(C(C(=O)NCc2c(F)ccc(F)c2F)N(C)C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][F][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][F][N][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1] | c17c(F)ccc(F)c1F.Cc1cccc6c1.C46C3=O.N4(C)C.N35.C57 |
1922153 | CCCc1cc(CNc2ncnc3onc(C)c23)on1 | [C][C][C][C][C][=C][Branch2][Ring1][Ring1][C][N][C][=N][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][#Branch2][=Ring1][=Branch1][O][N][=Ring1][P] | c15ncnc2onc(C)c12.c16cc7on1.CCC6.C47.N45 |
1922154 | O=C(CCn1cccc(C(F)(F)F)c1=O)N1CCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=O][N][C][C][C][C][Ring1][Branch1] | n13cccc4c1=O.O=C2CC3.N12CCCC1.C4(F)(F)F |
1922155 | N#Cc1cccc(N2CC3CCC(C2)N(Cc2ccccc2)C3=O)n1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O][=N][Ring2][Ring1][#Branch1] | N14CC2CCC(C1)N5C2=O.N#Cc1cccc4n1.c16ccccc1.C56 |
1922156 | Cn1nc(Cn2cncn2)nc1CCc1c[nH]c2ccccc12 | [C][N][N][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][=C][Ring1][O][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16c[nH]c2ccccc12.Cn1nc4nc15.n13cncn1.C5C6.C34 |
1922157 | CN1Cc2ccccc2CC1C(=O)N1CCN(S(C)(=O)=O)CC1 | [C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | CN1Cc2ccccc2CC15.N13CCN4CC1.S4(C)(=O)=O.C35=O |
1922158 | O=C(NCCOc1ccccc1F)C(c1cccnc1)N1CCCC1 | [O][=C][Branch1][=C][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c14ccccc1F.c17cccnc1.O=C2C67.N16CCCC1.C5C3.N25.O34 |
1922159 | COCc1cc(N(C)CCc2noc(C(C)C)n2)ncn1 | [C][O][C][C][=C][C][Branch2][Ring1][Branch1][N][Branch1][C][C][C][C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][=N][C][=N][Ring2][Ring1][C] | c16cc5ncn1.c17noc8n1.N45C.C4C7.C8(C)C.CO3.C36 |
1922160 | Cc1nc(N(C)Cc2ccncc2C)c2sccc2n1 | [C][C][=N][C][Branch1][#C][N][Branch1][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][S][C][=C][C][Ring1][Branch1][=N][Ring2][Ring1][Ring1] | Cc1nc4c2sccc2n1.c15ccncc1C.N34C.C35 |
1922161 | CNC(=O)C1CCN(c2nnc(C(C)(C)C)o2)C1 | [C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2][C][Ring1][=C] | C15CCN4C1.c14nnc6o1.C6(C)(C)C.C35=O.CN3 |
1922162 | O=C1C2CCC(CN(c3ncnc4[nH]ccc34)C2)N1Cc1ccccc1 | [O][=C][C][C][C][C][Branch2][Ring1][Branch1][C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Ring1][S][N][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1C2CCC(CN5C2)N16.c15ncnc2[nH]ccc12.c17ccccc1.C67 |
1922163 | O=C(c1ccc(F)cc1Cl)N1CCC2(CC1)OCCCC2O | [O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][Ring1][Branch2][O] | N13CCC2(CC1)OCCCC2O.c14ccc(F)cc1Cl.O=C34 |
1922164 | COCCN1CCCC2(CCN(c3ccc(Cl)cn3)C2)C1=O | [C][O][C][C][N][C][C][C][C][Branch2][Ring1][Ring2][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Ring1][N][C][Ring1][P][=O] | N16CCCC2(CCN5C2)C1=O.c15ccc(Cl)cn1.C4C6.CO4 |
1922165 | Cc1nc(CN2C(=O)c3cccc4cccc2c34)co1 | [C][C][=N][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][=C][O][Ring2][Ring1][Ring1] | C5N1C(=O)c2cccc3cccc1c23.Cc1nc5co1 |
1922166 | CN(CCc1cn[nH]c1)C(=O)c1cc(S(N)(=O)=O)ccc1F | [C][N][Branch1][#Branch2][C][C][C][C][=N][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][F] | c14cc(S(N)(=O)=O)ccc1F.c15cn[nH]c1.CN23.C3C5.C24=O |
1922167 | CCc1ncc(C(=O)NC(CCn2cncn2)c2ccccc2)cn1 | [C][C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][#Branch1] | c17ncc5cn1.c18ccccc1.C48CC6.n16cncn1.C35=O.CC7.N34 |
1922168 | Cc1noc2ncnc(NCCN3CCOC3=O)c12 | [C][C][=N][O][C][=N][C][=N][C][Branch1][N][N][C][C][N][C][C][O][C][Ring1][Branch1][=O][=C][Ring2][Ring1][C][Ring1][#C] | Cc1noc2ncnc5c12.N16CCOC1=O.C4C6.N45 |
1922169 | CCc1nnc(N2CCOC(c3nnnn3CCOC)C2)o1 | [C][C][C][=N][N][=C][Branch2][Ring1][=Branch1][N][C][C][O][C][Branch1][N][C][=N][N][=N][N][Ring1][Branch1][C][C][O][C][C][Ring1][#C][O][Ring2][Ring1][Ring2] | N15CCOC8C1.c17nnc5o1.c18nnnn16.C6C4.CC7.O4C |
1922170 | CCc1nnc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][S][Ring2][Ring1][Ring2] | C17CCN5CC1.c19nnc%10s1.C47=O.C58=O.C18CC1.CC9.C6%10.N46 |
1922171 | Cn1nc(-c2cccnc2)nc1CCOc1ccccc1 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1nc6nc15.c16cccnc1.c14ccccc1.C5C3.O34 |
1922172 | CC(C)n1ccnc1C1CCCN(S(=O)(=O)c2cccs2)C1 | [C][C][Branch1][C][C][N][C][=C][N][=C][Ring1][Branch1][C][C][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=C] | S3(=O)(=O)c1cccs1.C15CCCN3C1.n14ccnc15.CC4C |
1922173 | CC(C)c1noc(-c2ccc(-c3cc[nH]n3)cc2)n1 | [C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][=N][Ring1][S] | c15ccc6cc1.c14noc5n1.c16cc[nH]n1.CC4C |
1922174 | COc1ccc2c(c1)CCN(C(=O)c1ccn(C(F)F)n1)CC2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F][N][=Ring1][Branch2][C][C][Ring2][Ring1][C] | c14ccc2c(c1)CCN3CC2.c15ccn6n1.C35=O.C6(F)F.CO4 |
1922175 | CCCCC1C(=O)N(C)CCN1C(=O)c1cccc2c1ccn2C | [C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][Branch1][C] | c14cccc2c1ccn2C.C15C(=O)N(C)CCN13.CCCC5.C34=O |
1922176 | COc1ccccc1CNc1nnc(C2CCC2)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][O][Ring1][=Branch2] | c13ccccc16.c15nnc7o1.C17CCC1.CO3.C46.N45 |
1922177 | COCC1(NC(=O)C(c2ccc(F)cc2)N(C)C)CCCC1 | [C][O][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][C][C][C][Ring2][Ring1][Ring1] | c18ccc(F)cc1.C157CCCC1.C3(=O)C68.N6(C)C.CO4.C47.N35 |
1922178 | CCN1CC(C(=O)N2CC(OCc3ccccc3)C2)CC1=O | [C][C][N][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][C][Ring2][Ring1][Ring1][=O] | N18CC7CC1=O.c19ccccc1.N14CC6C1.C47=O.CC8.O56.C59 |
1922179 | CCCOCC1CCN(c2ncnc3nc(C)cc(C)c23)C1 | [C][C][C][O][C][C][C][C][N][Branch2][Ring1][Branch1][C][=N][C][=N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][N][Ring1][Branch2][C][Ring1][P] | c16ncnc2nc(C)cc(C)c12.C17CCN6C1.CCC4.O45.C57 |
1922180 | CN(CCc1cnn(C)c1)C(=O)c1cnc(-c2ccncc2)nc1 | [C][N][Branch1][=N][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N] | c15cnc7nc1.c16cnn(C)c1.c17ccncc1.CN34.C4C6.C35=O |
1922181 | CCc1cnc(N2CCN(c3ccc4nccn4n3)CC2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][N][=Ring1][=Branch2][C][C][Ring1][#C][N][=C][Ring2][Ring1][Branch1] | c16ccc2nccn2n1.c17cnc5nc1.N15CCN6CC1.CC7 |
1922182 | Cc1ccc(C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)c(O)c1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][C][C][=N][Ring1][Branch2][C][C][Ring1][=C][C][Branch1][C][O][=C][Ring2][Ring1][#Branch1] | Cc1ccc5c(O)c1.c16cc(=O)[nH]c(C)n1.N14CCC6CC1.C45=O |
1922183 | CCOC(=O)N1CCN(C(=O)C2Cc3ccccc3CN2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][C][C][Ring2][Ring1][Ring1] | C18Cc2ccccc2CN1C.N15CCN6CC1.C45=O.C68=O.CC7.O47 |
1922184 | COc1cccc2c1OCC(C(=O)NCCSc1nccn1C)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][Ring2][Ring1][C] | c14cccc2c1OCC7C2.c18nccn1C.C37=O.C5C6.CO4.N35.S68 |
1922186 | COCc1cc(N(C)Cc2ccc(C)s2)ncn1 | [C][O][C][C][=C][C][Branch1][S][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][=N][C][=N][Ring1][#C] | c16cc5ncn1.c17ccc(C)s1.N45C.CO3.C36.C47 |
1922189 | CCc1noc(-c2cnc(-c3ccncc3)nc2)n1 | [C][C][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N][=N][Ring1][P] | c15cnc6nc1.c14noc5n1.c16ccncc1.CC4 |
1922190 | Cc1cccc(C(C(=O)NCc2cc(F)cc(F)c2)N(C)C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1] | c17cc(F)cc(F)c1.Cc1cccc6c1.C46C3=O.N4(C)C.N35.C57 |
1922191 | Cc1cnc(CNc2ncnc3onc(C)c23)cn1 | [C][C][=C][N][=C][Branch2][Ring1][Ring1][C][N][C][=N][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][#Branch2][=Ring1][=Branch1][C][=N][Ring2][Ring1][C] | c15ncnc2onc(C)c12.Cc1cnc6cn1.C46.N45 |
1922192 | O=c1cc(N2CCCC2)cnn1Cc1cscn1 | [O][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=N][N][Ring1][O][C][C][=C][S][C][=N][Ring1][Branch1] | O=c1cc3cnn14.N13CCCC1.c15cscn1.C45 |
1922193 | Cc1nc(NC2COC3(CCCCC3)C2)c2cnn(C)c2n1 | [C][C][=N][C][Branch2][Ring1][C][N][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1nc4c2cnn(C)c2n1.C15COC2(CCCCC2)C1.N45 |
1922194 | Cc1nc(NC(Cc2ccc(O)cc2)C(N)=O)c2c(C)noc2n1 | [C][C][=N][C][Branch2][Ring1][=Branch1][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][=C][C][Branch1][C][C][=N][O][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | Cc1nc4c2c(C)noc2n1.c15ccc(O)cc1.C3(C5)C(N)=O.N34 |
1922196 | Cn1cc(CCCNc2nc(CO)nc3ccccc23)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch1][C][C][C][N][C][=N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch1] | c15nc6nc2ccccc12.Cn1cc7cn1.C7CC4.N45.C6O |
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