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366 SMILES Strings for P2X purinoceptor 4

Compound NameSMILES String
BDBM22416 Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
BDBM34179 NC(=O)N1c2ccccc2CC(=O)c2ccccc12
BDBM59268 CCOC1Cc2ccccc2N(C(N)=O)c2ccccc12
BDBM86422 Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1
BDBM85043 Cc1nc(N=Nc2ccc(cc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:4.3|
BDBM85044 Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2ccccc12)c1cc(Br)c(O)c(Br)c1
BDBM85730 [O-]S(=O)(=O)c1cc(c2c(Nc3cccc(NC(=O)Nc4cccc(Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
BDBM85682 [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(cc5)C(=O)Nc5ccc(cc5)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc4)cc3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
BDBM50000029 Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
BDBM50003659 NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
BDBM50029031 Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50026197 CO[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r|
BDBM50064803 Cc1ncc2COP(O)(=O)OCc2c1O
BDBM50087267 CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
BDBM50118211 Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1
BDBM50118216 Cc1ncc(COP(O)(O)=O)c(C=O)c1O
BDBM50118217 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
BDBM50118218 Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50118219 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1OC(=O)c1ccc(cc1)-c1ccccc1
BDBM50118220 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
BDBM50118221 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
BDBM50118226 Nc1ccc(CCSc2nc(N)c3ncn([C@@H]4O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]4O)c3n2)cc1
BDBM50118228 [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3cccc(NC(=O)Nc4cccc(c4)C(=O)Nc4ccc(c5cc(cc(c45)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
BDBM50118229 CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
BDBM50118230 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(S)=O)[C@@H](O)[C@H]1O
BDBM50118231 Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50118232 CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
BDBM50118234 Cc1nc(N=Nc2ccc(C(O)=O)c(Cl)c2)c(COP(O)(O)=O)c(C=O)c1O |w:5.5|
BDBM50118240 CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
BDBM50227015 CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
BDBM50227023 COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
BDBM50227032 Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2)cc1S([O-])(=O)=O
BDBM50240669 CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc12
BDBM50257829 COc1cc(C(C)C)c(Oc2cnc(NC(CO)CO)nc2N)cc1I
BDBM50257636 COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
BDBM50268765 Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc(c1)C(O)=O
BDBM50268767 Nc1c(cc(Nc2ccc(Cl)cc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50268768 Nc1c(cc(Nc2cc(Cl)ccc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50268873 Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1N
BDBM50268874 Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50268875 Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50268876 COc1nc(Cl)nc(Nc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S([O-])(=O)=O)cc2S([O-])(=O)=O)n1
BDBM50268965 Nc1c(cc(Nc2ccc(Nc3ncccn3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50268966 Nc1c(cc(Nc2ccc(Nc3ncccn3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50268574 Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc3ccccc23)cc1S([O-])(=O)=O
BDBM50268635 Nc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50268636 Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
BDBM50268685 Nc1c(cc(Nc2ccccc2C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50268686 Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc(cc2)S([O-])(=O)=O)cc1S([O-])(=O)=O
BDBM50268687 Nc1c(cc(Nc2ccccc2O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50268725 Nc1c(cc(Nc2ccc(O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50268726 Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)ccc1S([O-])(=O)=O
BDBM50268727 Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1S([O-])(=O)=O
BDBM50300129 Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O
BDBM50318030 CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
BDBM50336767 COc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336768 COc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
BDBM50336769 CCOc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336770 Nc1c(cc(Nc2ccc(Oc3ccccc3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336771 Nc1c(cc(Nc2ccc(F)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336772 Nc1c(cc(Nc2cccc(Br)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336773 Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2S([O-])(=O)=O)cc1S([O-])(=O)=O
BDBM50336774 Nc1c(cc(Nc2cccc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336775 Nc1c(cc(Nc2ccc(cc2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336776 Nc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
BDBM50336777 Nc1c(cc(Nc2ccc(CC(O)=O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336778 CCOP(=O)(Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1)OCC
BDBM50336779 Nc1c(cc(Nc2ccc(O)c(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336780 Cc1c(N)cccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336781 Nc1c(cc(Nc2ccc(c(Nc3nc(Cl)nc(Cl)n3)c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336782 Nc1c(cc(Nc2ccc(Nc3nc(=O)[nH]c(=O)[nH]3)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336783 Cc1cc(Nc2ccccc2)c2C(=O)c3ccccc3C(=O)c2c1N
BDBM50336784 Cc1cccc(Nc2cc(C)c(N)c3C(=O)c4ccccc4C(=O)c23)c1
BDBM50336785 Nc1c(cc(NC2CCCCC2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336786 Cc1ccccc1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
BDBM50336787 Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
BDBM50336788 Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
BDBM50336791 Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1C
BDBM50336792 Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c(C)c1
BDBM50336799 Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
BDBM50330859 NC(=O)N1c2ccccc2CC(O)c2ccccc12
BDBM50366480 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
BDBM50368125 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
BDBM50370141 Nc1ncnc2n(cnc12)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C2OC3(OC12)C(=C[C-](C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O |c:36,39,(6.91,.64,;6.89,-.9,;5.56,-1.66,;5.55,-3.21,;6.88,-3.97,;8.21,-3.22,;9.67,-3.7,;10.58,-2.46,;9.68,-1.21,;8.22,-1.68,;10.14,-5.17,;9.23,-6.42,;10.13,-7.66,;9.36,-9,;7.82,-9.01,;7.06,-10.34,;5.72,-9.57,;8.15,-11.43,;5.96,-11.43,;4.42,-11.44,;4.39,-9.89,;3.66,-12.79,;2.92,-11.07,;1.38,-11.1,;.93,-9.62,;-.11,-11.54,;1.4,-12.64,;11.6,-7.19,;13.07,-7.68,;13.97,-6.42,;13.07,-5.18,;11.6,-5.65,;14.73,-7.75,;16.26,-7.76,;17.03,-6.44,;16.26,-5.11,;14.73,-5.1,;13.96,-3.76,;14.73,-2.42,;12.42,-3.75,;18.57,-6.45,;19.34,-5.11,;19.34,-7.79,;13.95,-9.09,;12.41,-9.08,;14.72,-10.43,)|
BDBM50399182 CC(C)NC(=O)N1c2ccccc2Oc2ccccc12
BDBM50399183 Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2ccccc12
BDBM50399184 O=C(Cc1ccccc1)N1c2ccccc2Oc2ccccc12
BDBM50399185 Nc1ccc(cc1)C(=O)N1c2ccccc2Oc2ccccc12
BDBM50399186 Clc1ccc(cc1)C(=O)N1c2ccccc2Oc2ccccc12
BDBM50399187 [O-][N+](=O)c1ccc(cc1)C(=O)N1c2ccccc2Oc2ccccc12
BDBM50399191 O=C(Nc1ccccc1OCCOc1ccccc1NC(=O)c1ccccc1)c1ccccc1
BDBM50399192 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1OCCBr |r|
BDBM50399199 Oc1ccccc1NC(=O)N1CCOCC1
BDBM50399200 [O-][N+](=O)c1ccc(Cn2c3ccccc3c(=O)c3ccccc23)cc1
BDBM50399201 Cc1ccc(Cn2c3ccccc3c(=O)c3ccccc23)cc1
BDBM50399188 O=C(N1c2ccccc2Oc2ccccc12)c1ccccc1
BDBM50399189 CC(=O)N1c2ccccc2Oc2ccccc12
BDBM50399190 OC1(c2ccccc2)c2ccccc2N(Cc2ccccc2)c2ccccc12
BDBM50399193 O=C(OCc1ccccc1)N1CCOc2ccccc12
BDBM50399194 O=C(N1CCOc2ccccc12)c1ccccc1
BDBM50399195 O=C(N1CCOCC1)N1CCOc2ccccc12
BDBM50399202 COc1ccc(Cn2c3ccccc3c(=O)c3ccccc23)cc1
BDBM50399203 O=c1c2ccccc2n(Cc2ccccc2)c2ccccc12
BDBM50399204 CCN(CC)C(=O)n1c2ccccc2c(=O)c2ccccc12
BDBM50399196 Oc1ccccc1NC(=O)OCc1ccccc1
BDBM50399197 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1O |r|
BDBM50399198 Oc1ccccc1NC(=O)c1ccccc1
BDBM50399205 ClC(=O)N1c2ccccc2Oc2ccccc12
BDBM50399206 C(N1c2ccccc2Oc2ccccc12)c1ccccc1
BDBM50399207 Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8|
BDBM50399159 Clc1c2ccccc2nc2ccccc12
BDBM50399160 O=C(OCCc1ccccc1)N1c2ccccc2Oc2ccccc12
BDBM50399161 COc1ccc(COC(=O)N2c3ccccc3Oc3ccccc23)cc1
BDBM50399162 [O-][N+](=O)c1ccc(COC(=O)N2c3ccccc3Oc3ccccc23)cc1
BDBM50399163 Clc1ccc(COC(=O)N2c3ccccc3Oc3ccccc23)cc1
BDBM50399164 Cc1ccc(COC(=O)N2c3ccccc3Oc3ccccc23)cc1
BDBM50399165 O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12
BDBM50399158 O=C(c1ccccc1)n1c2ccccc2c(=O)c2ccccc12
BDBM50399176 Clc1cc(Cl)cc(CNC(=O)N2c3ccccc3Oc3ccccc23)c1
BDBM50399177 Clc1ccc(CNC(=O)N2c3ccccc3Oc3ccccc23)cc1
BDBM50399178 O=C(NCc1ccccc1)N1c2ccccc2Oc2ccccc12
BDBM50399179 CN1CCC(CC1)NC(=O)N1c2ccccc2Oc2ccccc12
BDBM50399180 CN(C)CCCNC(=O)N1c2ccccc2Oc2ccccc12
BDBM50399181 O=C(NC1CCCCC1)N1c2ccccc2Oc2ccccc12
BDBM50399166 CC(C)OC(=O)N1c2ccccc2Oc2ccccc12
BDBM50399167 COC(=O)N1c2ccccc2Oc2ccccc12
BDBM50399168 CN1CCN(CC1)C(=O)N1c2ccccc2Oc2ccccc12
BDBM50399169 O=C(N1CCCCC1)N1c2ccccc2Oc2ccccc12
BDBM50399170 O=C(N1CCOCC1)N1c2ccccc2Oc2ccccc12
BDBM50399171 CC(C)N(C(C)C)C(=O)N1c2ccccc2Oc2ccccc12
BDBM50399172 CCCN(CCC)C(=O)N1c2ccccc2Oc2ccccc12
BDBM50399173 CCN(CC)C(=O)N1c2ccccc2Oc2ccccc12
BDBM50399174 CN(C)C(=O)N1c2ccccc2Oc2ccccc12
BDBM50399175 O=C(NCCc1ccccc1)N1c2ccccc2Oc2ccccc12
BDBM50415550 C[C@H](CN1CCN(CC1)C(C)=O)NC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1 |r|
BDBM50415563 CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1ncccn1)-c1ccccc1
BDBM50430185 Oc1ccc(Cl)cc1C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50430170 Oc1c(ccc2ccccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM50430195 Oc1cc(Cl)ccc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM50430156 Oc1c(Cl)cccc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM50430159 Oc1ccccc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM50430160 Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM50430176 Oc1ccc(Cl)cc1C(=O)Nc1cccc(c1)C(F)(F)F
BDBM50430177 Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
BDBM50422739 [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(F)c(NC(=O)c4cccc(NC(=O)Nc5cccc(c5)C(=O)Nc5cc(ccc5F)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
BDBM50446080 C(N1c2ccccc2C=Cc2ccccc12)c1ccccc1 |c:9|
BDBM50446081 O=C(N1c2ccccc2C=Cc2ccccc12)c1ccccc1 |c:10|
BDBM50446049 NC(=O)N1c2ccccc2C=Cc2ccc(O)cc12 |c:11|
BDBM50446051 NC(=O)N1c2ccccc2C=Cc2cc(F)ccc12 |c:11|
BDBM50446086 CN=C1Cc2ccccc2N(C(N)=O)c2ccccc12 |w:1.0|
BDBM50446087 NC(=O)N1c2ccccc2CCc2ccccc12
BDBM50446083 O=C(NCc1ccccc1)N1c2ccccc2C=Cc2ccccc12 |c:19|
BDBM50446054 COc1ccc2C=Cc3ccccc3N(C(N)=O)c2c1 |c:6|
BDBM50446056 NC(=O)N1c2ccccc2C=Cc2ccc(F)cc12 |c:11|
BDBM50446057 Cc1ccc2C=Cc3ccccc3N(C(N)=O)c2c1 |c:5|
BDBM50446050 CCN(CC)C(=O)N1c2ccccc2C=Cc2ccncc12 |c:15|
BDBM50446052 CN(C)c1ccc2C=Cc3ccccc3N(C(N)=O)c2c1 |c:7|
BDBM50446053 NC(=O)N1c2ccccc2C=Cc2c1ccc1ccccc21 |c:11|
BDBM50446079 COC(=O)N1c2ccccc2C=Cc2ccccc12 |c:12|
BDBM50446055 NC(=O)N1c2ccccc2C=Cc2ccc(cc12)C(F)(F)F |c:11|
BDBM50446082 CC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
BDBM50446058 CCN(CC)C(=O)N1c2ccccc2C=Cc2cccc(C(=O)N(C(C)C)C(C)C)c12 |c:15|
BDBM50446059 CC(C)N(C(C)C)C(=O)c1cccc2C=Cc3ccccc3Nc12 |c:14|
BDBM50446060 CC(C)N(C(C)C)C(=O)N1c2ccccc2C=Cc2ccccc12 |c:17|
BDBM50446061 O=C(Nc1ccncc1)N1c2ccccc2C=Cc2ccccc12 |c:18|
BDBM50446062 O=C(Nc1ccccc1)N1c2ccccc2C=Cc2ccccc12 |c:18|
BDBM50446063 NC1CCC(CC1)NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:19,(34.96,-14.27,;34.97,-12.73,;33.64,-11.95,;33.64,-10.41,;34.99,-9.65,;36.31,-10.41,;36.3,-11.96,;34.99,-8.11,;33.65,-7.33,;32.33,-8.1,;33.66,-5.83,;32.3,-5.16,;31.17,-6.21,;29.7,-5.76,;29.35,-4.24,;30.49,-3.19,;31.96,-3.66,;32.92,-2.47,;34.46,-2.48,;35.4,-3.68,;36.86,-3.24,;37.98,-4.29,;37.63,-5.79,;36.15,-6.22,;35.04,-5.16,)|
BDBM50446064 OC1CCC(CC1)NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:19,(21.37,-14.54,;21.38,-13,;20.05,-12.22,;20.05,-10.69,;21.4,-9.92,;22.72,-10.69,;22.72,-12.23,;21.4,-8.38,;20.07,-7.61,;18.74,-8.38,;20.07,-6.1,;18.71,-5.44,;17.58,-6.49,;16.11,-6.03,;15.76,-4.51,;16.9,-3.46,;18.37,-3.93,;19.33,-2.74,;20.87,-2.75,;21.82,-3.95,;23.27,-3.51,;24.39,-4.56,;24.04,-6.07,;22.56,-6.49,;21.45,-5.44,)|
BDBM50446065 OC1CCN(CC1)C(=O)N1c2ccccc2C=Cc2ccccc12 |c:18|
BDBM50446066 OCCN(CCO)C(=O)N1c2ccccc2C=Cc2ccccc12 |c:17|
BDBM50446067 CC(C)(C)NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:15|
BDBM50446068 CCCN(CCC)C(=O)N1c2ccccc2C=Cc2ccccc12 |c:17|
BDBM50446069 O=C(N1CCCC1)N1c2ccccc2C=Cc2ccccc12 |c:16|
BDBM50446070 O=C(N1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:17|
BDBM50446071 O=C(NCCc1ccccc1)N1c2ccccc2C=Cc2ccccc12 |c:20|
BDBM50446072 O=C(NC1CCCCC1)N1c2ccccc2C=Cc2ccccc12 |c:18|
BDBM50446073 COc1ccc(CCNC(=O)N2c3ccccc3C=Cc3ccccc23)cc1 |c:19|
BDBM50446074 CC(C)NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:14|
BDBM50446075 CN(C)CCCNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:17|
BDBM50446076 CCN(CC)C(=O)N1c2ccccc2C=Cc2ccccc12 |c:15|
BDBM50446077 O=C(OCc1ccccc1)N1c2ccccc2C=Cc2ccccc12 |c:19|
BDBM50446078 CC(C)COC(=O)N1c2ccccc2C=Cc2ccccc12 |c:15|
BDBM50446047 NC(=O)N1c2ccccc2C2OC2c2ccccc12
BDBM50446048 NC(=O)N1c2ccccc2C=Cc2cc(O)ccc12 |c:11|
BDBM50446084 COC1=Cc2ccccc2N(C(N)=O)c2ccccc12 |t:2|
BDBM50446085 NC(=O)N1c2ccccc2CC(=N)c2ccccc12
BDBM183200 CC(C)Oc1ccc(Nc2nc(=O)n(CC(C)(C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
BDBM50179360 CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
BDBM271626 C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
BDBM366075 O=C1CC(=O)N(c2ccc(cc2)-n2nnnc2CCc2ccccc2)c2ccc3ccccc3c2N1
BDBM366076 COc1ccccc1Cc1nnnn1-c1ccc(cc1)C1=NCC(=O)Nc2c1ccc1ccccc21 |t:23|
BDBM366077 O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccccc2)c2ccc3ccccc3c2N1
BDBM366078 Oc1ccccc1Cc1nnnn1-c1ccc(cn1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM365756 O=C1CC(=O)N(c2ccc(cc2)-c2nccn2CCc2ccccc2)c2ccc3ccccc3c2N1
BDBM365827 Oc1cccc(CCn2ccnc2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
BDBM365840 Cc1cccc(CCc2nnnn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)n1
BDBM365870 Fc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
BDBM365944 COc1ccccc1CCc1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM365950 Cc1cccc(C)c1CCc1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM365989 FC(F)(F)c1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
BDBM366046 O=C1CN=C(c2ccc(cc2)-n2nnnc2CCc2ccccc2)c2ccc3ccccc3c2N1 |t:3|
BDBM366047 O=C1CN=C(c2ccc(cc2)-n2ccnc2CCc2ccccc2)c2ccc3ccccc3c2N1 |t:3|
BDBM366048 COc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
BDBM366049 Oc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
BDBM366050 CN(C)c1ccccc1Cc1nnnn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM366051 O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2-c2ccccc2)c2ccc3ccccc3c2N1
BDBM366052 COc1ccccc1-c1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM366053 NC(=O)c1ccccc1Cn1ccnc1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM366054 O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccccc2C#N)c2ccc3ccccc3c2N1
BDBM366055 NC(=O)c1ccccc1CCc1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM366056 NC(=O)c1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
BDBM366057 COc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4CCCc4c3NC(=O)CC2=O)c1
BDBM366058 O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccsc2)c2ccc3ccccc3c2N1
BDBM366059 COc1cc(ccc1-c1nccn1CCc1ccccc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM366060 Oc1cc(ccc1-c1nccn1CCc1ccccc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM366061 O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccco2)c2ccc3ccccc3c2N1
BDBM366062 Fc1ccccc1CCc1nccn1-c1ccc(cc1)N1c2ccc3CCCc3c2NC(=O)CC1=O
BDBM366063 O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2COc2ccccc2)c2ccc3ccccc3c2N1
BDBM366064 CC(C)(Cc1nnnn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O)c1ccccn1
BDBM366065 O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccccn2)c2ccc3ccccc3c2N1
BDBM366066 O=C1CC(=O)N(c2ccc(cc2)-c2nc[nH]c2-c2ccccc2)c2ccc3ccccc3c2N1
BDBM366067 O=C1CC(=O)N(c2ccc(cc2)-c2cn(CCc3ccccc3)cn2)c2ccc3ccccc3c2N1
BDBM366068 CC1(C)CN(C(CCc2ccccc2)=N1)c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O |c:14|
BDBM365816 COc1cccc(CCn2ccnc2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)c1
BDBM365785 Clc1ccc(Cn2ccnc2-c2ccc(cc2)N2c3ccc4ccccc4c3NC(=O)CC2=O)cc1
BDBM366069 Fc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4CCCc4c3NC(=O)CC2=O)c1
BDBM366070 O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CNc2ccccc2)c2ccc3ccccc3c2N1
BDBM366071 COc1c(F)cccc1CCc1nccn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM366072 COc1ccccc1Cc1nnnn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM366073 Oc1ccccc1Cc1nnnn1-c1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM366074 O=C1CC(=O)N(c2ccc(cc2)-n2nnnc2CCc2cccnc2)c2ccc3ccccc3c2N1
BDBM393612 Clc1ccccc1CC(=O)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM393613 O=C(Nc1ccccc1)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM393614 Ic1ccccc1CNc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM393615 Clc1ccccc1CS(=O)(=O)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM393616 CN(c1ccc(cc1)N1c2ccc3CCCCc3c2NC(=O)CC1=O)S(=O)(=O)Cc1ccccc1Cl
BDBM393617 Clc1ccccc1CS(=O)(=O)Nc1ccc(cc1)C1=NCC(=O)Nc2c1ccc1ccccc21 |t:20|
BDBM393619 Ic1ccccc1CC(=O)Nc1ccc(cc1)N1C2CCC3CCCCC3C2NC(=O)CC1=O
BDBM50274365 COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1 |c:11|
BDBM50499490 Cc1cc(Cl)c(OCCO)cc1NC(=O)C1=CNC(=O)C[C@H]1c1ccc(F)cc1 |r,t:16|
BDBM50506153 NS(=O)(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1Oc1cccc(Cl)c1
BDBM50506155 CC(C)(O)c1ccccc1Oc1ccc(NC(=O)Cc2ccccc2Cl)cc1S(N)(=O)=O
BDBM50506157 NS(=O)(=O)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccc1OCC1CCOCC1
BDBM50506161 Ic1ccccc1CC(=O)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM50506163 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccc(cc1)C1CCOC1
BDBM50506165 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccc(cc1)N1CCOCC1=O
BDBM50506167 CC(C)(O)c1ccc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)cc1
BDBM50506169 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cncc(Cl)c1
BDBM50506170 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cnc(Cl)nc1
BDBM50506172 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCCc1ccccc1
BDBM50506176 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1OCC1CCOCC1
BDBM50506178 NS(=O)(=O)c1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1OCC1CCOCC1
BDBM50506179 COc1cccc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)c1
BDBM50506180 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccccc1
BDBM50506181 NS(=O)(=O)c1cc(NC(=O)Cc2ccc(cc2)C(F)(F)F)ccc1Oc1cccc(Cl)c1
BDBM50506184 NS(=O)(=O)c1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1Oc1cccc(Cl)c1
BDBM50506186 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(Cl)c1
BDBM50506187 Cc1ccccc1CC(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)S(N)(=O)=O
BDBM50506188 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(c1)N1CCOCC1=O
BDBM50506191 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCc1ccccn1
BDBM50506192 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1ccccc1Cl
BDBM50506193 CC(C(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)S(N)(=O)=O)c1ccccc1
BDBM50506198 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OC1CCCCC1
BDBM50506206 Cc1ccc(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)c(c2)S(N)(=O)=O)cc1
BDBM50506154 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1Oc1cccc(Cl)c1
BDBM50506156 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCc1ccccc1
BDBM50506158 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1cccc(Cl)c1
BDBM50506159 CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1
BDBM50506160 Cc1c(-c2cccc(c2)-c2nnn[nH]2)c2[nH]c3ccccc3c2[nH]c1=O
BDBM50506162 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccc(cc1)-c1nccs1
BDBM50506166 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(c1)C(=O)N1CCOCC1
BDBM50506173 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1CCC1
BDBM50506174 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1CCOCC1
BDBM50506175 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2C(F)(F)F)ccc1OCC1CCOCC1
BDBM50506177 NS(=O)(=O)c1cc(NC(=O)Cc2cc(F)ccc2Cl)ccc1OCC1CCOCC1
BDBM50506182 CC(C(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)S(N)(=O)=O)c1ccccc1Cl
BDBM50506183 NS(=O)(=O)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccc1Oc1cccc(Cl)c1
BDBM50506185 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2C(F)(F)F)ccc1Oc1cccc(Cl)c1
BDBM50506189 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1CCO1
BDBM50506190 NS(=O)(=O)c1cc(NC(=O)C2(CC2)c2ccccc2Cl)ccc1Oc1cccc(Cl)c1
BDBM50506194 [Na;v0+].O=[#6]-1-[#6]-[#6](=O)-[#7](-c2cccc(c2)-c2noc(=S)[n-]2)-c2ccc3ccccc3c2-[#7]-1
BDBM50506195 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccc(c1)-n1cnnc1
BDBM50506196 CC(C)(O)c1cccc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)c1
BDBM50506197 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccnc1
BDBM50506199 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCC1COCCO1
BDBM50506200 NS(=O)(=O)c1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1OCC1CCOCC1
BDBM50506201 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccccc1Cl
BDBM50506202 NS(=O)(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1Oc1cccc(Cl)c1
BDBM50506203 COc1ccccc1CC(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)S(N)(=O)=O
BDBM50506204 Cc1cccc(CC(=O)Nc2ccc(Oc3cccc(Cl)c3)c(c2)S(N)(=O)=O)c1
BDBM50506205 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2C(F)F)ccc1OCC1CCOCC1
BDBM50506164 CC(=O)Nc1cccc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)c1
BDBM50535410 N.N.N.N.[H][C@]12OC3(CCCCC3)O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
BDBM50535411 [H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2C(=O)N[C@@H](CCC(O)=O)C(O)=O)n1cnc2c(N)ncnc12 |r|
BDBM50535412 [H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2COC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O)n1cnc2c(N)ncnc12 |r|
BDBM50535413 N.N.N.N.[H][C@]12OCO[C@@]1([H])[C@@H](O[C@@H]2COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
BDBM50535414 N.N.N.N.[H][C@]12O[C@H](O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c(N)ncnc12)c1ccccc1 |r|
BDBM50535415 N.N.N.N.[H][C@]12OC3(CCCCC3)O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(=O)CP(O)(=O)OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
BDBM50506168 NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1ccccn1
BDBM50506171 Cn1cc(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)cn1
BDBM50535409 N.N.N.N.[H][C@]12O[C@@H](O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c(N)ncnc12)c1ccccc1 |r|
BDBM50535408 N.N.N.N.[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
BDBM50540434 Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)[N+]([O-])=O
BDBM50540436 Oc1ccc(Cl)cc1C(=O)Nc1cc(F)cc(F)c1
BDBM50540409 Cc1nc(\N=N\c2ccc(cc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O
BDBM50540442 Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1
BDBM50563052 CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl
BDBM526264 O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12 |r|
BDBM50580221 C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
BDBM50580225 C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
BDBM50589912 [Na;v0+].[#6]-c1ccc2ccc3-[#7](-c4cccc(c4)-c4noc(=S)[n-]4)-[#6](=O)-[#6]-[#6](=O)-[#7]-c3c2c1
BDBM50589913 [Na;v0+].[#6]-c1ccc2c3-[#7]-[#6](=O)-[#6]-[#6](=O)-[#7](-c4cccc(c4)-c4noc(=S)[n-]4)-c3ccc2c1
BDBM50589914 CCN(CC)CC.Brc1cc2N(c3cccc(c3)-c3noc(=S)[nH]3)C(=O)CC(=O)Nc2c2ccccc12
BDBM50589915 CCN(CC)CC.Cc1ccc2c(Br)cc3N(c4cccc(c4)-c4noc(=S)[nH]4)C(=O)CC(=O)Nc3c2c1
BDBM50589916 CCN(CC)CC.[N-]=[N+]=NCc1ccc2c3NC(=O)CC(=O)N(c4cccc(c4)-c4noc(=S)[nH]4)c3ccc2c1
BDBM50589917 CCN(CC)CC.O=C1CC(=O)N(c2cccc(c2)-c2noc(=S)[nH]2)c2cc(-c3ccccc3)c3ccccc3c2N1
BDBM50589921 CCN(CC)CC.O=C1CC(=O)N(c2cncc(c2)-c2noc(=S)[nH]2)c2ccc3ccccc3c2N1
BDBM50589918 CCN(CC)CC.CCc1cc2N(c3cccc(c3)-c3noc(=S)[nH]3)C(=O)CC(=O)Nc2c2ccccc12
BDBM50589919 CCN(CC)CC.Cc1cc(cc(c1)-c1noc(=S)[nH]1)N1c2ccc3ccccc3c2NC(=O)CC1=O
BDBM50589920 CCN(CC)CC.O=C1CC(=O)N(c2cc(ccn2)-c2noc(=S)[nH]2)c2ccc3ccccc3c2N1
BDBM50589922 CCN(CC)CC.O=C1CC(=O)N(c2ccnc(c2)-c2noc(=S)[nH]2)c2ccc3ccccc3c2N1
BDBM50589923 CCN(CC)CC.O=C1CC(=O)N(c2cccc(n2)-c2noc(=S)[nH]2)c2ccc3ccccc3c2N1
BDBM50596993 CC(=O)N(c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1)c1ccncc1F
BDBM50594494 COc1ccc(cc1)C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1OC(=O)c1ccc(OC)cc1)n1cnc2c(N)ncnc12 |r|
BDBM50594495 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1F |r|
BDBM50594496 N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12 |r|
BDBM50594497 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@@H]1O |r|
BDBM50594498 O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(S)ncnc12 |r|
BDBM50594499 CCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
BDBM50594500 O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12 |r|
BDBM50594501 O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
BDBM50594502 O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c3nccn3cnc12 |r|
BDBM50594503 Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r|
BDBM50594504 O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1c2ncncc2[nH]c1=O |r|
BDBM50594505 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 |r|
BDBM50594506 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1OC(=O)c1cccc2ccccc12 |r|
BDBM50596625 Oc1c(Cl)cc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:21.16.15:13,17:16:18.20.19:13|
BDBM50596624 CC(C)c1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1 |TLB:20:19:22:16.15.14,20:15:22:19.21.18,THB:18:19:22.17.16:14,18:17:19.21.20:14|
BDBM50596626 [O-][N+](=O)c1ccc(Cl)c(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:22:21:24:18.17.16,22:17:24:21.23.20,THB:20:21:24.19.18:16,20:19:21.23.22:16|
BDBM50596629 COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:21.16.15:13,17:16:18.20.19:13|
BDBM50596630 Cc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1 |TLB:18:17:20:14.13.12,18:13:20:17.19.16,THB:16:17:20.15.14:12,16:15:17.19.18:12|
BDBM50596631 Cc1cc(\N=N\c2ccc(cc2S(O)(=O)=O)S(O)(=O)=O)c(COP(O)(O)=O)c(C=O)c1O
BDBM50596633 Oc1ccccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:20:19:22:16.15.14,20:15:22:19.21.18,THB:18:19:22.17.16:14,18:17:19.21.20:14|
BDBM50596634 FC(F)(F)c1cc(Br)cc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17|
BDBM50596635 NS(=O)(=O)c1ccccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:21:22:25.20.19:17,21:20:22.24.23:17|
BDBM50596992 CC(=O)N(c1ccn2nccc2c1)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1
BDBM50596994 CC(=O)N(c1ccc2ncoc2c1)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1
BDBM50596995 CC(=O)N(c1ccc2ncoc2c1)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccn1
BDBM50596996 CC(=O)N(c1ccc2ncoc2c1)c1cc(NC(=O)Cc2ccccc2Cl)ccn1
BDBM50596997 CC(=O)N(c1ccc2ncsc2c1)c1cc(NC(=O)Cc2ccccc2Cl)ccn1
BDBM50596636 Brc1ccc(Br)c(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:20:19:22:16.15.14,20:15:22:19.21.18,THB:18:19:22.17.16:14,18:17:19.21.20:14|
BDBM50596637 Clc1ncccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:20:19:22:16.15.14,20:15:22:19.21.18,THB:18:19:22.17.16:14,18:17:19.21.20:14|
BDBM50598313 Oc1ccccc1NC(=S)NC(=O)c1ccc2OCOc2c1
BDBM50598315 Oc1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1
BDBM50598316 Oc1c(Cl)cc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1Cl
BDBM50598317 [O-][N+](=O)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1
BDBM50598318 Clc1ncccc1NC(=S)NC(=O)c1ccc2OCOc2c1
BDBM50598319 NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc3OCOc3c2)c1
BDBM50598320 NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2ccc3OCOc3c2)cc1
BDBM50598325 Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc2OCOc2c1
BDBM50598326 CC(C)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)c(Br)c1
BDBM50598327 O=C(NC(=S)Nc1cccc2cccnc12)c1ccc2OCOc2c1
BDBM50598323 COc1ccccc1NC(=S)NC(=O)c1ccc2OCOc2c1
BDBM50598324 Brc1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1
BDBM50598321 FC(F)(F)c1cc(Br)cc(NC(=S)NC(=O)c2ccc3OCOc3c2)c1
BDBM50598322 FC(F)(F)c1ccc(Br)c(NC(=S)NC(=O)c2ccc3OCOc3c2)c1Br