smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@@H+](Cc3ccccc3O)C2)cc1 ZINC000011912726 553348793 /nfs/dbraw/zinc/34/87/93/553348793.db2.gz NEVJIIOOKHZDKR-SQHAQQRYSA-N 1 1 521.658 4.624 10 10 KJCEMO