smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C1CC[N+]23CCCC[N+]2(C1)CCCC3 19167221 166094154 /nfs/dbraw/zinc/09/41/54/166094154.db2.gz YXBWZDMXBZZFEU-UHFFFAOYSA-N 2 0 196.338 1.916 1 5 ADBFRP