smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC[N+](C)(Cc2ccc(C[N+]3(C)CC[N+](C)(Cc4ccc(CCl)cc4)CC3)cc2)CC1 ZINC000104196037 717147283 /nfs/dbraw/zinc/14/72/83/717147283.db2.gz NXIOBFIZSASRSA-UHFFFAOYSA-N 3 0 472.141 3.924 40 50 JHGBRP