smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[NH2+][C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1O ZINC000096533300 382613365 /nfs/dbraw/zinc/61/33/65/382613365.db2.gz BKKXRALZPBYRKC-DGXTUMSLSA-N 2 2 324.377 -0.429 40 10 biogenic,in-vitro DBCBLP Oc1ccccc1C[NH2+][C@H]1CO[C@@H](C[NH+]2CCOCC2)[C@@H]1O ZINC000514289611 257215714 /nfs/dbraw/zinc/21/57/14/257215714.db2.gz WRVCJGJNVVPFKX-CWRNSKLLSA-N 2 2 308.378 -0.058 40 10 biogenic,in-vitro DBCBLP