ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
38090 | CCSc1nnc(-c2ccncc2)n1Cc1ccccc1 | [C][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7n14.c17ccncc1.c15ccccc1.CC3.S36.C45 |
38091 | CCC(CC)C(=O)Nc1cccc(C(=O)NCC2CCCO2)c1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][#C] | CCC(CC)C3=O.c16cccc7c1.C18CCCO1.C47=O.N36.N45.C58 |
38092 | CCC(CC)C(=O)Nc1cccc(C(=O)N2CCCC(C)C2)c1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring1][#C] | CCC(CC)C3=O.c15cccc6c1.N14CCCC(C)C1.C46=O.N35 |
38093 | CCC(CC)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N] | CCC(CC)C3=O.c15cccc6c1.N14CCCC1.C46=O.N35 |
38094 | CCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccco2)c1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][#C] | CCC(CC)C3=O.c16cccc7c1.c18ccco1.C47=O.N36.N45.C58 |
38095 | CCC(CC)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C] | CCC(CC)C3=O.c15cccc6c1.N14CCOCC1.C46=O.N35 |
38096 | O=C(Cc1c(F)cccc1Cl)Nc1ccncc1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14c(F)cccc1Cl.c13ccncc1.O=C2C4.N23 |
38097 | O=C(Cc1c(F)cccc1Cl)N1CCOCC1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c13c(F)cccc1Cl.N12CCOCC1.O=C2C3 |
38098 | O=C(Cc1c(F)cccc1Cl)Nc1cccnc1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14c(F)cccc1Cl.c13cccnc1.O=C2C4.N23 |
38099 | Cc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][S][Ring1][P] | c15c(F)cccc1Cl.Cc1nnc4s1.C3(=O)C5.N34 |
38101 | CC(=O)Nc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c16nc2c(C)cccc2s1.c17ccc8cc1.CC4=O.C58=O.N47.N56 |
38102 | O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | c16ccc(Cl)cc1.N13CCN4CC1.c15ccco1.O=C3C6.C45=O |
38103 | C=CCn1c(SCC(N)=O)nnc1-c1ccccc1C | [C][=C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | n13c4nnc15.c15ccccc1C.C2C(N)=O.C=CC3.S24 |
38104 | Cn1c(SCC(N)=O)nnc1-c1cccc(Cl)c1 | [C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cn1c3nnc14.c14cccc(Cl)c1.C2C(N)=O.S23 |
38105 | Cn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1 | [C][N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][S][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] | c17ccc(C#N)cc1.Cn1c6nnc18.c14ccccc1.C36.O34.S58.C57 |
38108 | Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCc3ccccc3)ccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][C][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][=C][Ring2][Ring1][C][Ring2][Ring1][#Branch1] | Cn1c(=O)n(C)c2cc(S5(=O)=O)ccc21.c16ccccc1.C4C6.N45 |
38109 | COc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][=Branch1][C][Branch1][C][C][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccc(F)cc1.c14ccc6cc1.N356.C3(C)=O.CO4 |
38110 | COC(=O)Cc1c(C)c2ccc(OC(C)=O)c(C)c2oc1=O | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][=C][Ring1][O][O][C][Ring1][S][=O] | c16c(C)c2ccc5c(C)c2oc1=O.C3(=O)C6.C4(C)=O.CO3.O45 |
38111 | COC(=O)COc1cc(C)cc2oc(=O)c(CC(=O)OC)c(C)c12 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][O][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Ring2][Ring1][C][=Ring1][=N] | c16cc(C)cc2oc(=O)c7c(C)c12.C3(=O)C5.C7C4=O.CO3.O56.O4C |
38112 | CC(=O)Oc1cc2c3c(c(=O)oc2cc1C)CCCC3 | [C][C][=Branch1][C][=O][O][C][=C][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][=C][Ring1][O][C][C][C][C][C][Ring1][=N] | c15cc2c3c(c(=O)oc2cc1C)CCCC3.CC4=O.O45 |
38113 | CCOc1c(OC)ccc2c3c(c(=O)oc12)CCCC3 | [C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Ring1][=N][=Ring1][#Branch1][C][C][C][C][Ring1][#Branch2] | c15c6ccc2c3c(c(=O)oc12)CCCC3.CC4.O45.O6C |
38114 | COC(=O)COc1c(OC)ccc2c3c(c(=O)oc12)CCCC3 | [C][O][C][=Branch1][C][=O][C][O][C][=C][Branch1][Ring1][O][C][C][=C][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Ring1][=N][=Ring1][#Branch1][C][C][C][C][Ring1][#Branch2] | c16c7ccc2c3c(c(=O)oc12)CCCC3.C4(=O)C5.CO4.O56.O7C |
38115 | CCc1cc(=O)oc2c(OC(C)=O)c(OC(C)=O)ccc12 | [C][C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=C] | c17cc(=O)oc2c5c6ccc12.C3(C)=O.C4(C)=O.CC7.O35.O46 |
38116 | CCc1cc(=O)oc2cc(OC(C)=O)cc(OC(C)=O)c12 | [C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring1][Ring1][=C] | c17cc(=O)oc2cc5cc6c12.C3(C)=O.C4(C)=O.CC7.O35.O46 |
38117 | CC(=O)Oc1cc(OC(C)=O)c2c(C)c(C)c(=O)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][Ring1][P] | c15cc6c2c(C)c(C)c(=O)oc2c1.CC3=O.C4(C)=O.O35.O46 |
38118 | Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccn1 | [C][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][=N][Ring1][=Branch1] | c15nc2ccccc2[nH]1.Cn1c6nnc17.c17ccccn1.S46.C45 |
38119 | CCN(CC)C(=O)CSc1nnc(-c2ccccn2)n1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C] | c17nnc8n1C.c18ccccn1.C3(=O)C6.N345.CC4.C5C.S67 |
38120 | COc1ccc(CSc2nnc(-c3ccccn3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c17nnc8n1C.c18ccccn1.CO4.C56.S57 |
38121 | COc1ccc(C(=O)CSc2nnc(-c3ccccn3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc6cc1.c17nnc8n1C.c18ccccn1.C6(=O)C5.CO4.S57 |
38122 | Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1 | [C][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][N][=C][C][=N][Ring1][=Branch1] | c15nc2ccccc2[nH]1.Cn1c6nnc17.c17cnccn1.S46.C45 |
38123 | COc1ccc(CSc2nnc(-c3cnccn3)n2C)cc1 | [C][O][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][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c17nnc8n1C.c18cnccn1.CO4.C56.S57 |
38124 | NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc6n14.c16cnccn1.c14ccccc1.NC(=O)C3.S35 |
38125 | Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(N)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][O][S][C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.n17c5nnc18.c16cccs1.C4C(N)=O.C56.S48 |
38126 | NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc6n14.c16ccccc1F.c14ccccc1.NC(=O)C3.S35 |
38127 | CC(=O)c1ccc(N(C(F)F)S(C)(=O)=O)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][Branch1][=Branch1][C][Branch1][C][F][F][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][=C] | c14ccc3cc1.N23C(F)F.S2(C)(=O)=O.CC4=O |
38128 | Cc1ccc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCCC1 | [C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | Cc1ccc6cc1S4(=O)=O.c15ccon1.N14CCCC1.C36=O.N35 |
38129 | Cc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][#C][N][=Ring2][Ring1][#Branch1] | c15ccc(C)c(S4(=O)=O)c1.Cc1cc(C)n(C5=O)n1.N14CCCC1 |
38130 | Cn1c(SCc2nc3ccccc3s2)nnc1-c1cccnc1 | [C][N][C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][N][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15nc2ccccc2s1.Cn1c6nnc17.c17cccnc1.S46.C45 |
38131 | CCOC(=O)c1ccc(Nc2nnc3nc(C)cc(C)n23)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][O][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c16nnc2nc(C)cc(C)n12.c18ccc7cc1.C48=O.CC5.O45.N67 |
38133 | Cc1cc(N(C)S(=O)(=O)c2ccc(N)cc2)nc(C)n1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][C][Branch1][C][C][=N][Ring2][Ring1][Ring1] | S3(=O)(=O)c1ccc(N)cc1.Cc1cc4nc(C)n1.N34C |
38134 | Cc1cc(N)nc(CNc2ccc(S(N)(=O)=O)cc2)n1 | [C][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] | c14ccc(S(N)(=O)=O)cc1.Cc1cc(N)nc5n1.C35.N34 |
38135 | Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCC3)ccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][Ring1] | Cn1c(=O)n(C)c2cc(S4(=O)=O)ccc21.N14CCCC1 |
38136 | Cc1csc(NC(=O)CSc2nc3ccccc3[nH]2)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] | c17nc2ccccc2[nH]1.Cc1csc6n1.C4(=O)C5.N46.S57 |
38137 | Cc1csc(NC(=O)CSc2nc3ccccc3s2)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] | c17nc2ccccc2s1.Cc1csc6n1.C4(=O)C5.N46.S57 |
38138 | O=C(COc1ccc(Cl)cc1CO)Nc1ccc(F)cc1 | [O][=C][Branch1][S][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc16.c15ccc(F)cc1.O=C2C3.O34.C6O.N25 |
38139 | COc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)c1OC | [C][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch1][C][Cl][=C][Ring1][P][O][C] | c14cc7cc(Cl)c15.c16ccc(F)cc1.C37=O.CO4.N36.O5C |
38140 | CC(NS(=O)(=O)c1ccccc1)C(=O)NCc1ccco1 | [C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | S5(=O)(=O)c1ccccc1.CC3C2=O.c16ccco1.N35.N24.C46 |
38142 | COc1ccc(S(=O)(=O)NC2CC2)cc1Cl | [C][O][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][=N][Cl] | c13ccc(S4(=O)=O)cc1Cl.C15CC1.CO3.N45 |
38143 | COc1ccc(CNS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | S6(=O)(=O)c1ccc4c(Cl)c1.c13ccc7cc1.CO3.C57.N56.O4C |
38144 | COc1ccc(S(=O)(=O)NCc2ccco2)cc1Cl | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][Cl] | c13ccc(S5(=O)=O)cc1Cl.c16ccco1.CO3.N45.C46 |
38146 | COc1ccc(S(=O)(=O)NCc2ccccn2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][Cl] | c13ccc(S5(=O)=O)cc1Cl.c16ccccn1.CO3.N45.C46 |
38147 | COc1ccc(S(=O)(=O)NCc2cccnc2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P][Cl] | c13ccc(S5(=O)=O)cc1Cl.c16cccnc1.CO3.N45.C46 |
38148 | COc1ccc(S(=O)(=O)NCc2ccncc2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Cl] | c13ccc(S5(=O)=O)cc1Cl.c16ccncc1.CO3.N45.C46 |
38149 | COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P][Cl] | c13ccc(S4(=O)=O)cc1Cl.c15ccccc1F.CO3.N45 |
38150 | COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][Cl] | c13ccc(S4(=O)=O)cc1Cl.N14CCC(C)CC1.CO3 |
38152 | O=C(NCCc1ccncc1)Nc1cccc(F)c1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.c16ccncc1.O=C23.C4C6.N24.N35 |
38153 | COc1ccccc1NC(=O)NCCc1ccncc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccccc16.c17ccncc1.C23=O.C5C7.CO4.N26.N35 |
38154 | COc1ccccc1NC(=O)NCc1ccc(N2CCCC2=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | c15ccccc17.c18ccc9cc1.N19CCCC1=O.C34=O.CO5.N37.N46.C68 |
38155 | O=C(c1ccc(F)cc1F)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15ccc(F)cc1F.N13CCN4CC1.c14ncccn1.O=C35 |
38156 | CCOC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][S] | N14CCN5CC1.c18cccc(Cl)c1.C34=O.C56=O.CC7.O37.N68 |
38157 | COc1ccc(C(=O)NC(C)C)cc1Br | [C][O][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][N][Br] | c13ccc5cc1Br.C25=O.C4(C)C.CO3.N24 |
38158 | Cc1ccc(NC(=O)c2cc3nc(C)cc(C)n3n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16cc2nc(C)cc(C)n2n1.Cc1ccc5cc1.C46=O.N45 |
38159 | Cc1ccc(Cn2ccc(NC(=O)c3nc4ncccn4n3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][=C][N][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2] | c17nc2ncccn2n1.Cc1ccc9cc1.n18ccc6n1.C57=O.C89.N56 |
38161 | Nc1nnc(-c2cc(-c3ccc4c(c3)OCO4)on2)o1 | [N][C][=N][N][=C][Branch2][Ring1][=Branch2][C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][N][=Ring1][=C][O][Ring2][Ring1][Ring1] | c16ccc2c(c1)OCO2.Nc1nnc5o1.c15cc6on1 |
38165 | Cn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(N)=O | [C][N][C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=N][N][=C][Ring1][P][S][C][C][Branch1][C][N][=O] | Cn1c6nnc17.n15nnc8n1.c18ccccc1.C4C(N)=O.C56.S47 |
38166 | O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][C][C][C][C][Ring1][Branch1] | c16ccc(Cl)cc1.n15nnc6n1.C14CCCC1.O=C3C5.N34 |
38167 | CSc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c17ccc8cc1.c18nnn6n1.C15CCCCC1.C6C4=O.CS7.N45 |
38168 | COc1cccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | n15cnc2c1c(=O)n(C)c(=O)n2C.c14cccc6c1.CO4.C56 |
38169 | O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC1CCCC1 | [O][=C][Branch2][Ring1][=C][C][N][N][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring1][#C][N][C][C][C][C][C][Ring1][Branch1] | c17cccc6c1.n15nnc7n1.C14CCCC1.O=C3C5.C6(F)(F)F.N34 |
38170 | O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccccn1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c17ccccc1Cl.c16nnc7o1.c15ccccn1.O=C3C4.S46.N35 |
38172 | Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][S][Ring1][P] | c15ccc(Cl)cn1.Cc1nnc6s1.C4C3=O.S46.N35 |
38173 | O=C(CSc1ccccn1)Nc1cccc(F)c1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14cccc(F)c1.c15ccccn1.O=C2C3.S35.N24 |
38174 | O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccc(Cl)cn1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c15ccc(Cl)cn1.c16nnc7o1.c17ccncc1.O=C3C4.S46.N35 |
38175 | O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16nnc7o1.c17cccnc1.c15ccccn1.O=C3C4.S46.N35 |
38176 | O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)cn1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c15ccc(Cl)cn1.c16nnc7o1.c17ccco1.O=C3C4.S46.N35 |
38177 | Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3o2)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][O][Ring2][Ring1][Ring2] | c17nc2cc(Cl)ccc2o1.Cc1cc6no1.C4(=O)C5.N46.S57 |
38180 | O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=C2CS(=O)(=O)c1ccccc1.c13ccc(Cl)c(Cl)c1.N23 |
38181 | O=C(CS(=O)(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 | [O][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | O=C2CS(=O)(=O)c1ccccc1.c13cccc4c1.C4(F)(F)F.N23 |
38182 | Cc1cc(NC(=O)CS(=O)(=O)c2ccccc2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][C] | C3(=O)CS(=O)(=O)c1ccccc1.Cc1cc4no1.N34 |
38183 | C=CCN(CC=C)C(=O)c1ccc(OC)c(Br)c1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2] | c16ccc3c(Br)c1.C=CC4.N245.C5C=C.C26=O.O3C |
38184 | CC(O)c1nc2ccccc2n1CCOc1ccc(F)cc1 | [C][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16nc2ccccc2n15.c14ccc(F)cc1.CC6O.C5C3.O34 |
38185 | Cc1cc(C)n(CCOc2ccc(Br)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=Ring1][S] | Cc1cc(C)n5n1.c14ccc(Br)cc1.C5C3.O34 |
38187 | Cc1csc(NC(=O)CSc2nnc(C)s2)n1 | [C][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=N][Ring1][S] | Cc1csc5n1.c16nnc(C)s1.C3(=O)C4.N35.S46 |
38188 | O=C(c1cc2cc(Br)ccc2oc1=O)N1CCCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][N][C][C][C][C][Ring1][Branch1] | c14cc2cc(Br)ccc2oc1=O.N13CCCC1.O=C34 |
38189 | Cc1ccc(NC(=O)COc2ccccc2C(N)=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6c(C)c1.c15ccccc17.C3(=O)C4.C7(N)=O.N36.O45 |
38190 | COc1cccc(NC(=O)COc2ccccc2C(N)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][Ring2] | c15cccc7c1.c16ccccc18.C3(=O)C4.C8(N)=O.CO5.N37.O46 |
38191 | CCN(C(=O)COc1ccccc1C(N)=O)c1ccccc1 | [C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc17.c16ccccc1.C2(=O)C3.N256.C7(N)=O.CC5.O34 |
38194 | COc1cccc(N2CC(C(=O)Nc3nccs3)CC2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][=O][=C][Ring2][Ring1][Ring2] | c15cccc8c1.N18CC7CC1=O.c16nccs1.C47=O.CO5.N46 |
38196 | Cc1cccc(C)c1OCC(=O)Nc1ccc2c(c1)OCCO2 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.Cc1cccc(C)c15.C4C3=O.O45.N36 |
38197 | COc1ccc(C)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c13ccc(C)cc1S5(=O)=O.c16ccc2c(c1)OCO2.CO3.N45.C46 |
38198 | COc1ccccc1CNC(=O)COc1c(C)cccc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | c15c(C)cccc1C.c14ccccc17.C2(=O)C3.CO4.C67.N26.O35 |
38200 | Cc1cccc(C)c1OCC(=O)NCc1ccncc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1cccc(C)c14.c16ccncc1.C3C2=O.O34.N25.C56 |
38201 | COc1ccc(C)cc1S(=O)(=O)NCc1ccncc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c12ccc(C)cc1S4(=O)=O.c15ccncc1.CO2.N34.C35 |
38202 | CC(C)CNS(=O)(=O)c1ccc(NC(N)=O)cc1 | [C][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2] | S4(=O)(=O)c1ccc5cc1.CC(C)C3.C2(N)=O.N34.N25 |
38203 | COc1ccccc1OCCn1c(C)nc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n16c(C)nc2ccccc21.c14ccccc15.C3C6.CO4.O35 |
38204 | C=CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1 | [C][=C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N14C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1.C=CC4 |
38205 | Cc1c(C(=O)Nc2ccccc2)oc2ccc(F)cc12 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1] | Cc1c5oc2ccc(F)cc12.c14ccccc1.C35=O.N34 |
38206 | COc1ccc(NC(=O)CSc2c(C)n[nH]c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c17c(C)n[nH]c1C.C3(=O)C5.CO4.N36.S57 |
38207 | COc1ccc(-c2cc(C)nc3nc(N)nn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][C][=N][C][=N][C][Branch1][C][N][=N][N][Ring1][O][Ring1][=Branch1][C][=C][Ring1][P] | c15cc(C)nc2nc(N)nn12.c14ccc5cc1.CO4 |
38208 | Cc1cc(-c2ccc(Cl)cc2)n2nc(N)nc2n1 | [C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][N][=C][Branch1][C][N][N][=C][Ring1][=Branch1][N][=Ring1][P] | Cc1cc3n2nc(N)nc2n1.c13ccc(Cl)cc1 |
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