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](c1ccc(C(F)(F)F)cc1)[N@H+]1CCN(C2(C)CC[NH2+]CC2)C[C@@H]1C ZINC000022012578 570301554 /nfs/dbraw/zinc/30/15/54/570301554.db2.gz UMHBKLJQDYEWER-LPHOPBHVSA-N 2 1 399.501 3.541 30 0 GHACMP