smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000083879664 398072638 /nfs/dbraw/zinc/07/26/38/398072638.db2.gz ZVKCRWNVONROAC-UHFFFAOYSA-N 1 2 206.211 2.174 30 30 BEECLO