smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)[nH+]c1ccccc1c2NCCCN1CCN(CCCNc2c3ccccc3[nH+]c3ccccc32)CC1 ZINC000022861057 553762857 /nfs/dbraw/zinc/76/28/57/553762857.db2.gz AAMSBOZZFRTUFD-UHFFFAOYSA-N 2 3 554.742 7.011 40 10 KKCBHP