smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1ccnc1CN1C(=O)CO[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC000067897340 436727410 /nfs/dbraw/zinc/72/74/10/436727410.db2.gz HIBCMJPJXKSCMY-ZBFHGGJFSA-N 2 1 342.399 0.738 40 10 biogenic,in-vitro ECCBMP COC[C@H]1CCC[N@H+]1C[C@@H]1OC[C@H]([NH2+]Cc2ccccc2O)[C@H]1O ZINC000514289069 438812309 /nfs/dbraw/zinc/81/23/09/438812309.db2.gz QRXDMSSJCXUHLI-MXSMSXNCSA-N 2 1 336.432 0.721 40 10 biogenic,in-vitro ECCBMP