smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000217662863 569880886 /nfs/dbraw/zinc/88/08/86/569880886.db2.gz BTOBZXHDANZKDV-TUAOVVRQSA-N 1 1 493.563 3.721 50 70 JHIAMO