ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
4114 | Cc1cccc(NC(NC(=O)c2ccco2)C(=O)c2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2] | Cc1cccc6c1.c18ccccc1.C45C8=O.c17ccco1.C37=O.N46.N35 |
4115 | FC(F)(F)c1ccc(-c2noc(-c3ccno3)n2)cc1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][P][C][=N][O][C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S] | c14ccc6cc1.c16noc5n1.c15ccno1.FC4(F)F |
4117 | N#Cc1c(Br)cnn1Cc1cccc(Cl)c1 | [N][#C][C][=C][Branch1][C][Br][C][=N][N][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | N#Cc1c(Br)cnn12.c13cccc(Cl)c1.C23 |
4118 | Cc1cc(F)c(F)c(C(=O)n2ccnc2)c1Cl | [C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][N][C][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][#C][Cl] | Cc1cc(F)c(F)c3c1Cl.C3(=O)n1ccnc1 |
4119 | N#Cc1c(Br)cnn1Cc1ccc(Cl)cc1 | [N][#C][C][=C][Branch1][C][Br][C][=N][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | N#Cc1c(Br)cnn12.c13ccc(Cl)cc1.C23 |
4121 | COc1ccncc1C(=O)Nc1cc(Cl)cc(Cl)c1 | [C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14cc(Cl)cc(Cl)c1.c13ccncc15.C25=O.CO3.N24 |
4122 | CSc1ccncc1C(=O)Nc1ccc(F)cc1F | [C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c13ccc(F)cc1F.c15ccncc14.C24=O.CS5.N23 |
4123 | COc1ccncc1C(=O)Nc1ccc(F)cc1F | [C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.c13ccncc15.C25=O.CO3.N24 |
4124 | O=C(COc1ccccc1)NC(O)C(Cl)(Cl)Cl | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | c14ccccc1.C5(O)C(Cl)(Cl)Cl.O=C2C3.O34.N25 |
4125 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC13.c13ccc(C)cc1.CO2 |
4126 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC13.c13ccc(Cl)cc1.CO2 |
4127 | Cn1cc(Br)c(C(=O)n2cc(Br)cn2)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][=N][Ring1][=C] | C3(=O)n1cc(Br)cn1.Cn1cc(Br)c3n1 |
4129 | Cc1nc2nc(SCc3ccccc3)nn2c(C)c1C | [C][C][=N][C][=N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][C][C] | Cc1nc2nc6nn2c(C)c1C.c15ccccc1.S46.C45 |
4130 | Cc1cc(C)n2nc(SCc3ccccc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][N][=Ring2][Ring1][C] | Cc1cc(C)n2nc6nc2n1.c15ccccc1.S46.C45 |
4134 | CCOC(=O)Cc1nnc(-c2ccc(Cl)cc2)o1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N] | c16ccc(Cl)cc1.c15nnc6o1.C3(=O)C5.CC4.O34 |
4135 | O=C(OCc1nc2ccccc2s1)c1ccco1 | [O][=C][Branch1][S][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][O][Ring1][Branch1] | c16nc2ccccc2s1.c15ccco1.O=C35.O34.C46 |
4137 | Brc1ccc(OCc2nc(-c3ccncc3)no2)cc1 | [Br][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | Brc1ccc5cc1.c16nc7no1.c17ccncc1.O45.C46 |
4138 | Cc1ccc(OCc2nc(-c3ccncc3)no2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5c(C)c1.c16nc7no1.c17ccncc1.O45.C46 |
4139 | COc1ccc2nnc(-c3ccc(C(F)(F)F)cc3)n2n1 | [C][O][C][C][=C][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][Ring1][#C][N][=Ring2][Ring1][Ring1] | c14ccc2nnc6n2n1.c16ccc5cc1.C5(F)(F)F.CO4 |
4140 | COc1ccc(OCc2nc(-c3ccncc3)no2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c17nc8no1.c18ccncc1.CO5.O46.C47 |
4142 | COc1ccccc1OCc1nc(-c2ccccn2)no1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O] | c14ccccc15.c16nc7no1.c17ccccn1.CO4.O35.C36 |
4143 | CCOc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc(S5(=O)=O)cc1.c16ccccc1.N56C.CC3.O34 |
4145 | CCOC(=O)C1(O)C(=O)Nc2cc(OC)cc(OC)c21 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][Ring1][#C] | C3(=O)C1(O)C(=O)Nc2cc5cc6c21.CC4.O34.O5C.O6C |
4146 | O=c1[nH]nc(-c2cccs2)cc1Cc1ccsc1 | [O][=C][NH1][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][O][C][C][C][=C][S][C][=Ring1][Branch1] | O=c1[nH]nc5cc13.c15cccs1.c14ccsc1.C34 |
4147 | CC1=NC2(O)c3ccccc3C(=O)C2(O)C1C(=O)OCC(C)C | [C][C][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][O][Branch1][C][O][C][Ring1][#C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] | CC1=NC2(O)c3ccccc3C(=O)C2(O)C16.C5C(C)C.C46=O.O45 |
4148 | CC(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Ring1][=C] | c16ccc2c(c1)OCO2.c15nnc6s1.CC4=O.N45 |
4149 | Cc1ccc2ncnc(Oc3ncccc3N)c2c1 | [C][C][=C][C][=C][N][=C][N][=C][Branch1][O][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2ncnc4c2c1.c15ncccc1N.O45 |
4151 | CC1=C(C(=O)Nc2ccccc2C)C(c2ccncc2)n2ncnc2N1 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch2] | CC1=C(C3=O)C(c2ccncc2)n2ncnc2N1.c14ccccc1C.N34 |
4152 | CCC(C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1 | [C][C][C][Branch1][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][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14nc2c(c(=O)[nH]c(=O)n2C)n15.c16ccc(F)cc1.CCC3C.N34.C56 |
4153 | Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2Cc1ccc(F)cc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc3n24.c15ccc(F)cc1.N13CCCC1.C45 |
4154 | CC1=C(C(=O)Nc2ccccc2C)C(c2cccnc2)n2ncnc2N1 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch2] | CC1=C(C3=O)C(c2cccnc2)n2ncnc2N1.c14ccccc1C.N34 |
4155 | Cc1cc(Cc2ccc(C(F)(F)F)cc2)c(=O)[nH]n1 | [C][C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][N][=Ring2][Ring1][C] | Cc1cc3c(=O)[nH]n1.c14ccc5cc1.C5(F)(F)F.C34 |
4156 | Cn1c(=O)c2c(nc(NCc3ccccc3)n2CC(N)=O)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch2][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][C][Branch1][C][N][=O][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O] | Cn1c(=O)c2c(nc5n26)n(C)c1=O.c17ccccc1.C6C(N)=O.N45.C47 |
4158 | CCCn1c(NC)nc2c1c(=O)n(C)c(=O)n2C | [C][C][C][N][C][Branch1][Ring1][N][C][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.CCC4.N3C |
4159 | CCCn1c(N(C)C)nc2c1c(=O)n(C)c(=O)n2C | [C][C][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.CCC4.N3(C)C |
4160 | CCCn1c(NCC)nc2c1c(=O)n(C)c(=O)n2C | [C][C][C][N][C][Branch1][Ring2][N][C][C][=N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.CCC5.N34.C3C |
4161 | CC(NC(=O)CC1Sc2ccccc2NC1=O)c1ccccc1 | [C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15Sc2ccccc2NC1=O.c16ccccc1.C3(=O)C5.CC46.N34 |
4162 | COc1ccc(C(O)c2nc3ccccc3n2C(C)C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2][O][C] | c17nc2ccccc2n16.c14ccc8cc15.C78O.C6(C)C.CO4.O5C |
4163 | CCn1c(C(O)c2ccccc2OC)nc2ccccc21 | [C][C][N][C][Branch1][#C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n14c5nc2ccccc21.c16ccccc13.C56O.CC4.O3C |
4164 | CCCn1c(C(O)c2ccc(OC)cc2)nc2ccccc21 | [C][C][C][N][C][Branch1][P][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n14c5nc2ccccc21.c16ccc3cc1.CCC4.C56O.O3C |
4165 | COc1ccc(-c2nc(C#N)c(N3CC(C)OC(C)C3)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c16nc(C#N)c5o1.N15CC(C)OC(C)C1.c14ccc6cc1.CO4 |
4166 | O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1cc(Cl)c(Cl)cc1Cl.N12CCOCC1 |
4167 | O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S2(=O)c1ccc(F)cc1.c13ccc(F)c(F)c1.N23 |
4168 | Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(O)c1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | Cc1onc6c15.c16ccccc1Cl.c14cccc(O)c1.C35=O.N34 |
4170 | O=C1Nc2ccc(S(=O)(=O)NCc3ccccc3)c3cccc1c23 | [O][=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][C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | O=C1Nc2ccc(S5(=O)=O)c3cccc1c23.c16ccccc1.N45.C46 |
4171 | CCOC(=O)c1cc2ccc(OC)c(OC)c2c(=O)s1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][S][Ring1][#C] | c17cc2ccc5c6c2c(=O)s1.C37=O.CC4.O34.O5C.O6C |
4172 | COc1ccc2cc(C(=O)OC(C)C)sc(=O)c2c1OC | [C][O][C][=C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][S][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P][O][C] | c15ccc2cc7sc(=O)c2c16.C37=O.C4(C)C.CO5.O34.O6C |
4173 | O=C(Nc1ccc(O)cc1)c1cc2ccccc2c(=O)s1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][S][Ring1][O] | c15cc2ccccc2c(=O)s1.c14ccc(O)cc1.O=C35.N34 |
4174 | CC(=O)C1C(c2cccc(F)c2)NC(=O)NC1(O)C(F)(F)F | [C][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Ring1][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] | C13C5NC(=O)NC14O.c15cccc(F)c1.C4(F)(F)F.CC3=O |
4176 | CC(=O)C1C(c2ccc(F)cc2)NC(=O)NC1(O)C(F)(F)F | [C][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Ring1][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] | C13C5NC(=O)NC14O.c15ccc(F)cc1.C4(F)(F)F.CC3=O |
4177 | COc1ccc2cc(C(=O)Nc3cc(C)on3)sc(=O)c2c1OC | [C][O][C][=C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][S][C][=Branch1][C][=O][C][Ring1][S][=C][Ring2][Ring1][Ring2][O][C] | c15ccc2cc8sc(=O)c2c16.c17cc(C)on1.C48=O.CO5.N47.O6C |
4178 | Cc1cc(NC(=O)c2cc3ccccc3c(=O)s2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][S][Ring1][O][=N][O][Ring2][Ring1][Ring1] | c16cc2ccccc2c(=O)s1.Cc1cc5no1.C46=O.N45 |
4179 | O=c1c(=Cc2ccccc2)sc2nc(-c3ccncc3)nn12 | [O][=C][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][Branch1][Ring1][O] | O=c1c(=Cc2ccccc2)sc2nc4nn12.c14ccncc1 |
4180 | CC(=O)C1C(c2ccc(F)c(F)c2)NC(=O)NC1(O)C(F)(F)F | [C][C][=Branch1][C][=O][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][Ring1][#C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] | C13C5NC(=O)NC14O.c15ccc(F)c(F)c1.C4(F)(F)F.CC3=O |
4181 | COc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(C)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Branch1] | C16NC(=O)NC5(O)C14.c13ccc6cc1.C5(F)(F)F.C4(C)=O.CO3 |
4182 | COC(=O)c1cc2ccc(OC)c(OC)c2c(=O)s1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][S][Ring1][#C] | c16cc2ccc4c5c2c(=O)s1.C36=O.CO3.O4C.O5C |
4183 | CC(=O)C1C(c2cccc(C)c2)NC(=O)NC1(O)C(F)(F)F | [C][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Ring1][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] | C13C5NC(=O)NC14O.c15cccc(C)c1.C4(F)(F)F.CC3=O |
4184 | CC(=O)C1C(c2ccc(C)cc2)NC(=O)NC1(O)C(F)(F)F | [C][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Ring1][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] | C13C5NC(=O)NC14O.c15ccc(C)cc1.C4(F)(F)F.CC3=O |
4186 | Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCOCC1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1onc5c14.c15ccccc1Cl.N13CCOCC1.C34=O |
4187 | Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(C)OC(C)C1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | N13CC(C)OC(C)C1.Cc1onc5c14.c15ccccc1Cl.C34=O |
4188 | Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | Cc1onc5c14.c15ccccc1Cl.N13CCCCC1.C34=O |
4189 | Cc1nc(-c2cccc(NC(=O)c3ccccc3F)c2)cs1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][S][=C][S][Ring2][Ring1][Branch1] | c17cccc5c1.c16ccccc1F.Cc1nc7cs1.C46=O.N45 |
4190 | C=C(C)Cn1c(SCC(C)O)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][C][O][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C=C(C)C4.C3C(C)O.S35 |
4191 | COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S] | c15ccc(F)c(S4(=O)=O)c1.N14CCOCC1.C35=O.CO3 |
4192 | CC(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][N][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S] | c16cn2cccc(C)c2n1.c15ccc6cc1.CC4=O.N45 |
4193 | C=CCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c6nc2c1c(=O)[nH]c(=O)n2C.c15cccc(C)c1.C=CC4.S36.C35 |
4194 | CCC(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][N][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S] | c16cn2cccc(C)c2n1.c15ccc6cc1.CCC4=O.N45 |
4195 | CCC(C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C | [C][C][C][Branch1][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] | c14nc2c(c(=O)[nH]c(=O)n2C)n15.C5CC(C)C.CCC3C.N34 |
4196 | O=C(c1cc2cc(Br)ccc2oc1=O)N1CCCCC1 | [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][C][Ring1][=Branch1] | c14cc2cc(Br)ccc2oc1=O.N13CCCCC1.O=C34 |
4197 | C=CCn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c6nc2c1c(=O)[nH]c(=O)n2C.c15ccc(C)cc1.C=CC4.S36.C35 |
4198 | C=CCn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c6nc2c1c(=O)[nH]c(=O)n2C.c15ccc(F)cc1.C=CC4.S36.C35 |
4199 | C=CCn1c(SCC(=C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][Branch2][S][C][C][=Branch1][C][=C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3C(=C)C.C=CC4.S35 |
4200 | C=CCn1c(SCC(O)CO)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][=Branch2][S][C][C][Branch1][C][O][C][O][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3C(O)CO.C=CC4.S35 |
4201 | C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 | [C][=C][Branch1][C][C][C][S][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][C][=C][C][=C][Ring1][=Branch1] | c16nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccccc1.C=C(C)C3.S36.C45 |
4202 | COC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C | [C][O][C][=Branch1][C][=O][C][S][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] | c16nc2c(c(=O)[nH]c(=O)n2C)n15.C5CC(C)C.C3(=O)C4.CO3.S46 |
4203 | C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C | [C][=C][Branch1][C][C][C][S][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] | c15nc2c(c(=O)[nH]c(=O)n2C)n14.C4CC(C)C.C=C(C)C3.S35 |
4205 | CC(C)CCn1c(SCC(O)CO)nc2c1c(=O)[nH]c(=O)n2C | [C][C][Branch1][C][C][C][C][N][C][Branch1][=Branch2][S][C][C][Branch1][C][O][C][O][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.CC(C)CC4.C3C(O)CO.S35 |
4206 | CC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C | [C][C][=Branch1][C][=O][C][Branch1][C][C][S][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] | c15nc2c(c(=O)[nH]c(=O)n2C)n14.CC(=O)C3C.C4CC(C)C.S35 |
4207 | CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C | [C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][Branch1][C][C][C] | c14nc2c(c(=O)n(C)c(=O)n2C)n13.C3CC(C)C.CS4 |
4209 | C=CCn1c(NC(C)CC)nc2c1c(=O)n(C)c(=O)n2C | [C][=C][C][N][C][Branch1][Branch2][N][C][Branch1][C][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c4nc2c1c(=O)n(C)c(=O)n2C.C3(C)CC.C=CC5.N34 |
4210 | CCC(=O)c1ccc(OCC(O)Cn2nc(C)cc2C)cc1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][Branch1][C][O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c15ccc4cc1.n16nc(C)cc1C.C3C(O)C6.CCC5=O.O34 |
4211 | CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C | [C][C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][Branch1][C][C][C] | c14nc2c(c(=O)n(C)c(=O)n2C)n15.C5CC(C)C.CC3.N34 |
4212 | CCC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | n17c(C)nc2ccccc21.c16ccc5cc1.C4C(O)C7.CCC6=O.O45 |
4213 | C=C(C)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c3nc2c1c(=O)[nH]c(=O)n2C.N13CCOCC1.C=C(C)C4 |
4215 | C=C(C)Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][Branch1][C][C][C][N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15c4nc2c1c(=O)[nH]c(=O)n2C.c16ccco1.C=C(C)C5.N34.C36 |
4216 | O=C(Oc1ccc(-c2nnco2)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc6cc1.N14CCOCC1.c16nnco1.O=C34.O35 |
4217 | O=C(Oc1ccc(-c2nnco2)cc1)N1CCCCC1 | [O][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][C][=C][Ring1][O][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc6cc1.N14CCCCC1.c16nnco1.O=C34.O35 |
4218 | Cn1nc(C(F)(F)F)cc1OC(=O)c1cccs1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | Cn1nc5cc13.c14cccs1.C5(F)(F)F.C24=O.O23 |
4219 | CCOC(=O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][=N][N] | c16ccc(Cl)c(Cl)c1.c15cnn6c1N.C35=O.CC4.O34 |
4220 | Cc1sc2ncn3nnnc3c2c1-c1ccc(F)cc1 | [C][C][S][C][N][=C][N][N][=N][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1sc2ncn3nnnc3c2c14.c14ccc(F)cc1 |
4221 | Cc1ccc(C)c(S(=O)(=O)n2cnc3ccccc32)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | Cc1ccc(C)c(S(=O)(=O)n2cnc3ccccc32)c1 |
4222 | O=S(=O)(c1ccccc1)n1cnc2ccccc21 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=S(=O)(c1ccccc1)n1cnc2ccccc21 |
4223 | COc1ccc(OC)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][O][=C][Ring2][Ring1][=Branch1] | c14ccc5c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c1.CO4.O5C |
4224 | Cc1ccc(SCc2cn3cccnc3n2)cc1 | [C][C][=C][C][=C][Branch1][S][S][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][P] | c15cn2cccnc2n1.Cc1ccc6cc1.S46.C45 |
4227 | Cc1ccnc(SCc2cn3cccnc3n2)n1 | [C][C][=C][C][=N][C][Branch1][S][S][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][=N][Ring1][P] | c15cn2cccnc2n1.Cc1ccnc6n1.S46.C45 |
4228 | COc1cc(S(=O)(=O)NCc2cccnc2)ccc1F | [C][O][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][=C][Ring1][P][F] | c13cc(S5(=O)=O)ccc1F.c16cccnc1.CO3.N45.C46 |
4229 | COc1ccc(S(=O)(=O)NCc2cccnc2)c(C)c1C | [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][Branch1][C][C][=C][Ring2][Ring1][C][C] | c13ccc(S5(=O)=O)c(C)c1C.c16cccnc1.CO3.N45.C46 |
4230 | CCOc1cc(S(=O)(=O)NCc2cccnc2)ccc1Cl | [C][C][O][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][=C][Ring1][P][Cl] | c14cc(S6(=O)=O)ccc1Cl.c17cccnc1.CC3.O34.N56.C57 |
4231 | COc1c(C)cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C | [C][O][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][C] | c13c(C)cc(S4(=O)=O)c(C)c1C.N14CCC5CC1.C5(N)=O.CO3 |
4232 | COc1ccc(OCc2cn3cccnc3n2)cc1 | [C][O][C][=C][C][=C][Branch1][S][O][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][P] | c17cn2cccnc2n1.c15ccc6cc1.CO5.O46.C47 |
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