smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH+](Cc3ccccc3O)CC2)cs1 ZINC000225423222 291222350 /nfs/dbraw/zinc/22/23/50/291222350.db2.gz BMXBFDXYPWCBIO-GOSISDBHSA-N 2 2 417.575 2.943 40 10 biogenic,in-vitro HFCBLP