smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C1C[N+]2(CCN1)CC[N+]1(CCNCC1)CC2 ZINC000000254821 187582483 /nfs/dbraw/zinc/58/24/83/187582483.db2.gz RAWPYHHZGFGCCM-UHFFFAOYSA-N 2 0 226.368 -1.160 50 5 BABARP