ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
21165 | COc1ccc(C)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | C2(=O)CC(O)(C(F)(F)F)C(F)(F)F.c13ccc(C)cc14.CO3.N24 |
21167 | CCOc1ccccc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | C2(=O)CC(O)(C(F)(F)F)C(F)(F)F.c14ccccc15.CC3.O34.N25 |
21168 | Cc1nn(CC(=O)Nc2ccc(Cl)cn2)c(C)c1Br | [C][C][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][P][Br] | Cc1nn5c(C)c1Br.c14ccc(Cl)cn1.C5C3=O.N34 |
21169 | Cc1nn(CC(=O)Nc2cccnc2)c(C)c1Br | [C][C][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][S][Br] | Cc1nn5c(C)c1Br.c14cccnc1.C5C3=O.N34 |
21171 | CCOC(=O)COc1nc(N(C)C)nc(N(C)C)n1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][N] | c15nc6nc7n1.C2(=O)C4.N6(C)C.N7(C)C.CC3.O23.O45 |
21172 | CSc1nc(NC(C)C)nc(N(C)C(N)=O)n1 | [C][S][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][N][=O][=N][Ring1][#C] | c16nc4nc5n1.C3(C)C.N25C.C2(N)=O.CS6.N34 |
21176 | CCOc1ccc(Cn2cc(F)c(=O)[nH]c2=O)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=C][Ring1][S] | n15cc(F)c(=O)[nH]c1=O.c14ccc6cc1.CC3.O34.C56 |
21180 | COC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.C2(=O)CCC3=O.CO2.N34 |
21181 | COc1ccccc1OCC(=O)N1CCN(c2ccccc2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c15ccccc16.N13CCN7CC1.c17ccccc1.C4C3=O.CO5.O46 |
21182 | CC(C)Oc1ccc(C(=O)Nc2cccnc2)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc7cc1.c16cccnc1.CC4C.C37=O.O45.N36 |
21183 | CC(=O)Nc1ccc(NC(=O)c2oc3ccc(C)cc3c2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][C][=C][Ring2][Ring1][Ring2] | c18oc2ccc(C)cc2c1C.c16ccc7cc1.CC4=O.C58=O.N46.N57 |
21185 | Cc1ccc(N2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][C][C][N][C][Ring1][=Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][=Branch1] | N14CCCn2c1nc1c2c(=O)[nH]c(=O)n1C.Cc1ccc4cc1 |
21186 | CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C | [C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][C][Branch1][C][C][C] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.C4CC(C)C.CN3 |
21187 | Brc1ccc(-c2nnc(-c3cccnc3)o2)cc1 | [Br][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] | Brc1ccc4cc1.c14nnc5o1.c15cccnc1 |
21189 | O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Br | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccc2c(c1)OCO2.c15ccccc1Br.O=C35.N34 |
21190 | C1CCC2(C1)OCC1(CO2)COC2(CCCC2)OC1 | [C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][C][Branch1][Branch1][C][O][Ring1][#Branch1][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][C][Ring1][N] | C1CCC2(C1)OCC1(CO2)COC2(CCCC2)OC1 |
21192 | CCC(CC)C(=O)Nc1cc(OC)ccc1OC | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] | c15cc3ccc14.CCC(CC)C2=O.N25.O3C.O4C |
21193 | COc1ccccc1C(=O)Nc1ccccc1C#N | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N] | c14ccccc1C#N.c13ccccc15.C25=O.CO3.N24 |
21195 | Cc1occc1C(=O)Nc1ccc2ccccc2c1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c14ccc2ccccc2c1.Cc1occc15.C35=O.N34 |
21198 | Nc1nc(-c2ccc(F)cc2)c(Br)c(=O)[nH]1 | [N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][Br][C][=Branch1][C][=O][NH1][Ring1][#C] | Nc1nc3c(Br)c(=O)[nH]1.c13ccc(F)cc1 |
21199 | COc1cc(OC)cc(C(=O)Nc2ccccc2C(N)=O)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][Ring2] | c14cc5cc7c1.c16ccccc18.C37=O.C8(N)=O.CO4.O5C.N36 |
21201 | COc1cccc(-c2nc(N)c3c(=O)oc4ccccc4c3n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=N][C][Branch1][C][N][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][Ring1][S][=C][Ring2][Ring1][=Branch1] | c16nc(N)c2c(=O)oc3ccccc3c2n1.c15cccc6c1.CO5 |
21206 | CN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | CN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccc(Cl)cc1 |
21207 | Cc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Branch1] | C4(=O)CC1(O)C(=O)N(C)c2ccccc21.Cc1ccc4cc1 |
21208 | Cc1oc(C(N)=O)cc1COc1ccccc1C(N)=O | [C][C][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=Ring1][Branch2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | Cc1oc4cc16.c13ccccc15.C4(N)=O.C5(N)=O.C26.O23 |
21209 | Cc1oc(C(N)=O)cc1COc1ccc(C(N)=O)cc1 | [C][C][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=Ring1][Branch2][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | Cc1oc4cc16.c13ccc5cc1.C4(N)=O.C5(N)=O.C26.O23 |
21211 | COc1cc(OC)c(NC(=O)c2ccncc2)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Cl] | c14cc5c6cc1Cl.c17ccncc1.C37=O.CO4.O5C.N36 |
21212 | O=C(Nc1ccc(Br)cc1F)c1ccncc1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13ccc(Br)cc1F.c14ccncc1.O=C24.N23 |
21213 | CCOc1cccc(C(=O)Nc2ccccc2F)c1 | [C][C][O][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][S] | c15cccc7c1.c16ccccc1F.C37=O.CC4.O45.N36 |
21214 | CC(=O)Nc1ccccc1NC(=O)C(C)Oc1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc17.c15ccccc1.C3(=O)C4C.CC2=O.N26.N37.O45 |
21215 | COc1cc(NC(=O)C(C)Oc2ccccc2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15cc7cc8c1.c16ccccc1.C3(=O)C4C.CO5.N38.O46.O7C |
21216 | COc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring1][=Branch2][N][Branch1][C][C][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c15nc2c(=O)n(C)c(=O)nc-2n(C)n1.c14ccc5cc1.CO4 |
21217 | CCn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 | [C][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring2][Ring1][Ring2][Ring1][=Branch2] | n13nc4nc2c(=O)n(C)c(=O)nc1-2.c14ccc(Cl)cc1.CC3 |
21219 | COc1cc(NC(=O)C(C)C)ccc1NC(=O)C(C)C | [C][O][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Ring1][N][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c14cc5ccc16.C2(=O)C(C)C.C3(=O)C(C)C.CO4.N25.N36 |
21220 | CC(=O)Nc1ccc(-c2nc3ccc(C)cc3c(=O)o2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][N][C][=C][Ring2][Ring1][C] | c16nc2ccc(C)cc2c(=O)o1.c15ccc6cc1.CC4=O.N45 |
21221 | Cn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1 | [C][N][N][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C] | c15ccc6cc1.Cn1nnc4n1.C6(C)(C)C.C35=O.N34 |
21222 | COc1ccc(Br)cc1C(=O)Nc1nnn(C)n1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1] | c13ccc(Br)cc15.c14nnn(C)n1.C25=O.CO3.N24 |
21223 | O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(=O)oc2ccccc21.c14ccccc1.O=C3CC5.N34 |
21225 | O=C(Nc1cccc(NC(=O)c2ccncc2)n1)c1ccncc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15cccc6n1.c18ccncc1.c17ccncc1.O=C37.C48=O.N35.N46 |
21226 | CCOC(=O)c1sc(NC(=O)COc2ccccc2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][S][C] | c19sc8nc1C.c17ccccc1.C4(=O)C6.C39=O.CC5.O35.N48.O67 |
21227 | O=C(COc1ccc(Cl)cc1)Nc1cccnc1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccc(Cl)cc1.c15cccnc1.O=C2C3.O34.N25 |
21228 | COc1ccc2c(Cl)c(C(=O)N3CCOCC3)sc2c1 | [C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2c(Cl)c6sc2c1.N14CCOCC1.C46=O.CO5 |
21229 | O=C(COc1ccc(Cl)cc1)NCc1ccccn1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccc(Cl)cc1.c16ccccn1.O=C2C3.O34.N25.C56 |
21230 | Cc1ccc(NC2OC(CO)C(O)C2O)cc1C | [C][C][=C][C][=C][Branch1][P][N][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][C][=C][Ring1][S][C] | Cc1ccc3cc1C.C14OC5C(O)C1O.N34.C5O |
21231 | O=C(C1CC1(c1ccccc1)c1ccccc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][C][Ring1][Ring1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc1.c15ccccc1.N12CCOCC1.C13CC145.O=C23 |
21232 | O=C(Nc1ccc(NC(=O)C2CC23CCC3)cc1)C1CC12CCC2 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring2][C][=C][Ring1][#C][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring2] | c16ccc7cc1.C19CC12CCC2.C18CC12CCC2.O=C48.C59=O.N46.N57 |
21233 | CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccccc2)NC(=O)N1 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1] | CC1=C(C3=O)C5NC(=O)N1.c14ccc(C)cc1.c15ccccc1.N34 |
21234 | CC1CCc2c(sc(NC(=O)c3cccnc3)c2C(N)=O)C1 | [C][C][C][C][C][=C][Branch2][Ring1][#Branch2][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=C][C][Branch1][C][N][=O][C][Ring2][Ring1][Branch1] | CC1CCc2c(sc5c27)C1.c16cccnc1.C46=O.C7(N)=O.N45 |
21235 | Cc1ccc(N2CC(C(=O)NCCc3ccccc3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc8cc1.N18CC6CC1=O.c17ccccc1.C46=O.C5C7.N45 |
21236 | CCc1ccc(N2CC(C(=O)NCc3ccccc3)CC2=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | c17ccc9cc1.N19CC6CC1=O.c18ccccc1.C46=O.CC7.N45.C58 |
21237 | C=CCn1c(SCC(N)=O)nc2ccccc2c1=O | [C][=C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | n14c5nc2ccccc2c1=O.C3C(N)=O.C=CC4.S35 |
21238 | O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCOCC1 | [O][=C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][N][C][C][O][C][C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c16cccc5c1.N13CCOCC1.O=C36.N45 |
21239 | COc1cccc(OC)c1C(=O)Nc1ccc(NC(C)=O)cc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c14cccc5c18.c16ccc7cc1.C28=O.C3(C)=O.CO4.O5C.N26.N37 |
21240 | COc1cccc(OC)c1C(=O)Nc1ccccc1Cl | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c13cccc4c16.c15ccccc1Cl.C26=O.CO3.O4C.N25 |
21241 | Cc1cc(C)c(S(=O)(=O)N2CCCCC2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][P] | Cc1cc(C)c(S3(=O)=O)c(C)c1.N13CCCCC1 |
21243 | O=C(NCCc1ccccc1)C1CC(=O)N(c2ccc(Cl)cc2)C1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N7C1.c17ccc(Cl)cc1.c16ccccc1.O=C35.C4C6.N34 |
21244 | CC(C)CCNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c16ccc(F)cc1.CC(C)CC4.C35=O.N34 |
21246 | O=C(COc1ccc(Cl)cc1Cl)Nc1cccnc1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccc(Cl)cc1Cl.c15cccnc1.O=C2C3.O34.N25 |
21249 | Cn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][=C][N][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(nc3n2CCN34)n(C)c1=O.c14ccccc1 |
21250 | C=CCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n13c4nc2c1c(=O)[nH]c(=O)n2C.C=CC3.S4C |
21251 | Cn1c(=O)c(O)c2c3c(cccc31)C(=O)c1ccccc1-2 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] | Cn1c(=O)c(O)c2c3c(cccc31)C(=O)c1ccccc1-2 |
21252 | NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] | c14ccc5cc1.c16ccc(Cl)cc1.NC4=O.C35.S36 |
21253 | CN(C)c1nc(-c2ccccc2)c(C(=O)N2CCCC2)s1 | [C][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Ring2][Ring1][C] | c14nc6c5s1.c16ccccc1.N13CCCC1.CN4C.C35=O |
21254 | O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc6cc1.c17ccc(Cl)cc1.N13CCOCC1.O=C35.C46.S47 |
21255 | COc1cc(-c2cccn2C)c(OC)cc1-c1cccn1C | [C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][Ring1][Branch1][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][C][=C][C][=C][N][Ring1][Branch1][C] | c13cc5c4cc16.c15cccn1C.c16cccn1C.CO3.O4C |
21258 | Brc1cnc2c(Br)cncc2c1 | [Br][C][=C][N][=C][C][Branch1][C][Br][=C][N][=C][C][Ring1][#Branch1][=C][Ring1][O] | Brc1cnc2c(Br)cncc2c1 |
21259 | O=C(NCC1OCCc2ccccc21)C1COc2ccccc2O1 | [O][=C][Branch1][P][N][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C4C1OCCc2ccccc21.C15COc2ccccc2O1.O=C35.N34 |
21260 | CN(c1ccccc1)c1ncncc1Br | [C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][Br] | c12ncncc1Br.c13ccccc1.CN23 |
21262 | COc1ncnc2c1ncn2CC1COC(C)(C)O1 | [C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1] | c13ncnc2c1ncn24.C15COC(C)(C)O1.CO3.C45 |
21263 | CCOC(=O)c1nnc(-c2ccccc2)nc1C(=O)OCC | [C][C][O][C][=Branch1][C][=O][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=Branch1][C][=O][O][C][C] | c17nnc9nc18.c19ccccc1.C37=O.C48=O.CC5.O35.O46.C6C |
21264 | CCOC(=O)c1cc(C(=O)OCC)c2cccc(C)n2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Branch1][C][C][N][Ring1][#Branch1][C][Ring1][S][=O] | c17cc8c2cccc(C)n2c1=O.C37=O.C48=O.CC5.O35.O46.C6C |
21265 | Cc1nc(-c2ccccc2)cc(N2CCCCC2)n1 | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1nc3cc4n1.c14ccccc1.N13CCCCC1 |
21266 | CC1(C)Cc2ccccc2-c2nnc(-c3ccccn3)n21 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][Ring2][Ring1][Ring2] | CC1(C)Cc2ccccc2-c2nnc4n21.c14ccccn1 |
21267 | CCOC(=O)C(c1ccccc1)C(O)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)C4C5O.c14ccccc1.c15ccccc1.CC3.O23 |
21268 | O=C1OCCC1C(=O)c1ccc(Br)cn1 | [O][=C][O][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | c12ccc(Br)cn1.O=C1OCCC13.C23=O |
21269 | CC1(C)Cc2ccccc2-c2nnc(-c3cccnc3)n21 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][Ring2][Ring1][Ring2] | CC1(C)Cc2ccccc2-c2nnc4n21.c14cccnc1 |
21270 | N#Cc1cc(-c2ccccn2)nnc1-c1ccccn1 | [N][#C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | N#Cc1cc3nnc14.c13ccccn1.c14ccccn1 |
21271 | CCN(CC)C(=O)C1C=C(c2ccccc2)C=CN=C1N(CC)CC | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][Ring1][=N][N][Branch1][Ring1][C][C][C][C] | C18C=C(c2ccccc2)C=CN=C1N67.N345.C38=O.CC4.C5C.C6C.C7C |
21273 | Cc1nc2ccc(S(=O)(=O)NCc3ccccc3)cc2s1 | [C][C][=N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][S][Ring2][Ring1][Ring2] | Cc1nc2ccc(S5(=O)=O)cc2s1.c16ccccc1.N45.C46 |
21274 | CC(C)c1nc2ccccc2c(=O)n1NC(=O)c1ccccc1 | [C][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2ccccc2c(=O)n1NC3=O.c13ccccc1.CC4C |
21275 | Cn1c2sc3c(c2c(=O)n2nnnc12)CCCC3 | [C][N][C][S][C][=C][Branch1][P][C][=Ring1][Branch1][C][=Branch1][C][=O][N][N][=N][N][=C][Ring1][=N][Ring1][Branch1][C][C][C][C][Ring1][=C] | Cn1c2sc3c(c2c(=O)n2nnnc12)CCCC3 |
21276 | CC(=O)c1c(O)c(C(C)=O)c(O)c(C(C)=O)c1O | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=C][O] | c12c(O)c3c(O)c4c1O.CC2=O.C3(C)=O.C4(C)=O |
21277 | Cn1c(=O)cc(OC(=O)c2cccs2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cn1c(=O)cc4c2ccccc21.c15cccs1.C35=O.O34 |
21278 | Cc1cc(OC(=O)c2ccccc2Cl)cc(=O)n1C | [C][C][=C][C][Branch1][#C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=Branch1][C][=O][N][Ring1][P][C] | Cc1cc4cc(=O)n1C.c15ccccc1Cl.C35=O.O34 |
21279 | Cc1cc(OC(=O)c2ccccc2Br)cc(=O)n1C | [C][C][=C][C][Branch1][#C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][C][=Branch1][C][=O][N][Ring1][P][C] | Cc1cc4cc(=O)n1C.c15ccccc1Br.C35=O.O34 |
21280 | Cc1cc(OC(=O)c2ccc(Cl)cc2)cc(=O)n1C | [C][C][=C][C][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][N][Ring1][P][C] | Cc1cc4cc(=O)n1C.c15ccc(Cl)cc1.C35=O.O34 |
21281 | Cc1ccc(C(=O)Oc2cc(C)n(C)c(=O)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c14cc(C)n(C)c(=O)c1.Cc1ccc5cc1.C35=O.O34 |
21282 | O=C(Cc1c(F)cccc1Cl)Nc1ccccn1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14c(F)cccc1Cl.c13ccccn1.O=C2C4.N23 |
21283 | COc1cccc2c1NC(=O)C(OC)(OC)C2=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][Branch1][Ring1][O][C][C][Ring1][O][=O] | c15cccc2c1NC(=O)C34C2=O.CO5.O3C.O4C |
21284 | N#CC(c1ccccc1)c1ccc(-c2ccccc2)nn1 | [N][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N] | c13ccc5nn1.c14ccccc1.c15ccccc1.N#CC34 |
21287 | O=c1cc(NCc2ccccc2)c(-c2ccccc2)n[nH]1 | [O][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring2][Ring1][Ring2] | O=c1cc4c6n[nH]1.c15ccccc1.c16ccccc1.N34.C35 |
21288 | CC(C#N)(Nc1ccc(Cl)cc1)c1cccnc1 | [C][C][Branch1][Ring1][C][#N][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccc(Cl)cc1.c14cccnc1.CC24C#N.N23 |
21289 | CC(=O)Oc1c(C(=O)c2nnc(C)o2)c(=O)n(C)c2ccccc12 | [C][C][=Branch1][C][=O][O][C][=C][Branch1][#C][C][=Branch1][C][=O][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c14c6c(=O)n(C)c2ccccc12.c15nnc(C)o1.CC3=O.C56=O.O34 |
21290 | Nc1c(-c2ccccc2)nnc(-c2ccccc2)c1N | [N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][N] | Nc1c3nnc4c1N.c13ccccc1.c14ccccc1 |
21293 | COc1ccc2c(c1)sc1nc(C)c(CCO)c(=O)n12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=N][C][Branch1][C][C][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][Ring1][O][Ring1][#C] | c13ccc2c(c1)sc1nc(C)c4c(=O)n12.C4CO.CO3 |
21294 | Cn1c(=O)c2c(Nc3ccc(F)cc3)cc(=O)n(C)c2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2c4cc(=O)n(C)c2n(C)c1=O.c15ccc(F)cc1.N45 |
21295 | COc1ccc(Cc2nnc(SC)n(N)c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=N][N][=C][Branch1][Ring1][S][C][N][Branch1][C][N][C][Ring1][=Branch2][=O][C][=C][Ring1][P] | c14nnc6n(N)c1=O.c13ccc5cc1.CO3.C45.S6C |
21296 | c1cnc2c(c1)C1OC(S2)c2cccnc2S1 | [C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Branch1][Ring2][S][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c1cnc2c(c1)C1OC(S2)c2cccnc2S1 |
21297 | CSc1cc(-c2ccco2)oc1C(=O)c1ccco1 | [C][S][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][C][=Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c15cc6oc13.c16ccco1.c14ccco1.C34=O.CS5 |
21298 | CCOC(=O)N1C2Sc3cccnc3C1Sc1ncccc12 | [C][C][O][C][=Branch1][C][=O][N][C][S][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][S][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | N15C2Sc3cccnc3C1Sc1ncccc12.C45=O.CC6.O46 |
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