smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000137899614 1178567170 /nfs/dbraw/zinc/56/71/70/1178567170.db2.gz TYTARGBBJQKLAJ-QKPAOTATSA-N 0 3 319.442 0.123 30 0 in-vitro DCACHN