smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1nccn1C[C@H](F)COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 68245036 QEOMTGGDMOOUHJ-OVHRRVLLSA-N 351.287 -2.054 5 1 FABF O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 218529748 GNVPUHGUOBDPSL-VDWIVTDKSA-N 373.274 -1.967 5 1 FABF O=c1ccc2cc3c(O)[nH]c(=O)nc3n(C[C@H](O)[C@H](O)[C@@H](O)CO)c-2c1 14967253 HJMIIBXYFPJZBP-AVGNSLFASA-N 363.326 -2.030 5 1 FABF biogenic O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1[N+](=O)[O-] 13514853 LVLPVLNNXRTCHP-RRKCRQDMSA-N 353.180 -1.798 5 1 FABF in-vitro O=c1nc2n(C[C@@H](O)[C@H](O)[C@@H](O)CO)c3cc(O)ccc3cc-2c(=O)[nH]1 103544532 AUEILLWDYUBWCM-AGIUHOORSA-N 363.326 -2.030 5 1 FABF in-vitro CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC2)cc1C(=O)NC[C@H](O)CO 26992001 ILQGOGISNAREPA-QMMMGPOBSA-N 359.360 -1.099 5 1 FABF O=[N+]([O-])c1nccn1C[C@@H](F)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O 68245041 QEOMTGGDMOOUHJ-RJRBEDEGSA-N 351.287 -2.054 5 1 FABF Bc1c2nc(c(B)c3ccc([nH]3)c(B)c3nc(c(B)c4ccc1[nH]4)C=C3)C=C2 263614712 RUWTXHJKNBHTIS-UHFFFAOYSA-N 357.640 -2.311 5 1 FABF in-vitro NC(=O)CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H]1CCCN1 29488477 OQEIVYKPSALGDF-STQMWFEESA-N 363.374 -1.024 5 1 FABF O=[N+]([O-])c1nccn1C[C@@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@@H]1O 253635180 WEJXWSFQNJZJHV-CHHOWFRJSA-N 370.278 -1.424 5 1 FABF O=C(NC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 38965469 TXVZHPDFTXBTMX-BZNQNGANSA-N 371.302 -2.166 5 1 FABF in-vitro O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O 17217468 WEJXWSFQNJZJHV-JDDHQFAOSA-N 370.278 -1.424 5 1 FABF O=C(O)CCC(=O)N1CN2CN(C(=O)CCC(=O)O)CC([N+](=O)[O-])(C2)C1 2285772 HUBBZWRMRYHOCB-UHFFFAOYSA-N 372.334 -1.367 5 3 FABF CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC2)cc1C(=O)NC[C@@H](O)CO 26991995 ILQGOGISNAREPA-MRVPVSSYSA-N 359.360 -1.099 5 1 FABF Cc1cc2nc3c(N)nc(=N)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C 3652171 RKKZKYDECCHHDL-SCRDCRAPSA-N 374.401 -1.315 5 1 FABF O=c1c2cc3nnn(C4CC4)c(=O)c3cc2nnn1CCn1ncnn1 59185609 AJZAIPUDWYZEPI-UHFFFAOYSA-N 352.318 -1.082 5 1 FABF O=[N+]([O-])c1nccn1C[C@@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O 105506340 WEJXWSFQNJZJHV-LRPJSKTQSA-N 370.278 -1.424 5 1 FABF C[N+](C)(C)C[C@@H](Cn1cnc2c(=O)[nH]c(N)nc21)OCP(=O)(O)O 26973174 NUTFBPHQMGGSOQ-MRVPVSSYSA-O 361.319 -1.072 5 1 FABF COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1 299824145 AORKARPAMNXVNO-OIRVYTLQSA-N 359.287 -1.440 5 1 FABF biogenic O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O 5724169 WEJXWSFQNJZJHV-FHNUBNKASA-N 370.278 -1.424 5 1 FABF O=c1nc2n(C[C@H](O)[C@H](O)[C@@H](O)CO)c3cc(O)ccc3cc-2c(=O)[nH]1 100195053 AUEILLWDYUBWCM-AVGNSLFASA-N 363.326 -2.030 5 1 FABF in-vitro N[C@@H](CSCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)C(=O)NCC(=O)O 205278014 TXIBECGXJIBQLR-LURJTMIESA-N 365.324 -2.660 5 1 FABF O=c1ccc2cc3c(O)[nH]c(=O)nc3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c-2c1 14967256 HJMIIBXYFPJZBP-YNEHKIRRSA-N 363.326 -2.030 5 1 FABF biogenic O=[N+]([O-])c1nccn1C[C@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O 169314937 WEJXWSFQNJZJHV-ZJDVBMNYSA-N 370.278 -1.424 5 1 FABF O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1 263620619 JRVQBBIDMNDOQV-ZIQFBCGOSA-N 365.316 -1.331 5 1 FABF in-vitro O=C(NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1772652382 MLTRZBZSUMDYKY-QCNOEVLYSA-N 356.291 -1.713 5 1 FABF O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O 17217470 WEJXWSFQNJZJHV-SOYHJAILSA-N 370.278 -1.424 5 1 FABF O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 218529655 GNVPUHGUOBDPSL-CJJWORHMSA-N 373.274 -1.967 5 1 FABF O=[N+]([O-])c1nccn1C[C@@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O 5724170 WEJXWSFQNJZJHV-CVPUBMOQSA-N 370.278 -1.424 5 1 FABF O=[N+]([O-])c1nccn1C[C@@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O 253635185 WEJXWSFQNJZJHV-OEZYJKACSA-N 370.278 -1.424 5 1 FABF O=[N+]([O-])c1ccc(-c2n[nH]c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1 169311036 UGGZQIXTNFFJRV-RMPHRYRLSA-N 352.303 -1.105 5 1 FABF Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H]3O[C@H](O)[C@H](O)[C@@H]3O)c2cc1C 238781099 TXUBAQVONCBFAO-XQCUEUFKSA-N 374.353 -1.360 5 1 FABF C[N+](C)(C)C[C@H](Cn1cnc2c(=O)[nH]c(N)nc21)OCP(=O)(O)O 26973181 NUTFBPHQMGGSOQ-QMMMGPOBSA-O 361.319 -1.072 5 1 FABF O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@@H]1O 17217473 WEJXWSFQNJZJHV-VVULQXIFSA-N 370.278 -1.424 5 1 FABF O=[N+]([O-])c1nccn1C[C@@H](F)COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 68245038 QEOMTGGDMOOUHJ-MPVQUNCYSA-N 351.287 -2.054 5 1 FABF Nc1nc(=O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-] 58650618 QPCLJXMRTPOKPG-UAKXSSHOSA-N 368.195 -2.538 5 1 FABF in-vitro O=c1nc2n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c3cc(O)ccc3cc-2c(=O)[nH]1 104866581 AUEILLWDYUBWCM-FRRDWIJNSA-N 363.326 -2.030 5 1 FABF O=[N+]([O-])c1nccn1C[C@H](F)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O 68245039 QEOMTGGDMOOUHJ-XVWDQHCBSA-N 351.287 -2.054 5 1 FABF Nc1nc(O)c([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-] 263620790 NFRHBMAHQZOVIK-XUTVFYLZSA-N 367.207 -1.451 5 1 FABF in-vitro O=[N+]([O-])c1nccn1C[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O 17217476 WEJXWSFQNJZJHV-HOTMZDKISA-N 370.278 -1.424 5 1 FABF O=[N+]([O-])c1nccn1C[C@@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O 169314935 WEJXWSFQNJZJHV-SVSWQMSJSA-N 370.278 -1.424 5 1 FABF O=c1ccc2cc3c(=O)[nH]c(O)nc3n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c-2c1 14967260 HJMIIBXYFPJZBP-RWMBFGLXSA-N 363.326 -2.030 5 1 FABF biogenic O=[N+]([O-])c1nccn1C[C@@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O 253635186 WEJXWSFQNJZJHV-WLRJLXCNSA-N 370.278 -1.424 5 1 FABF