smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(OC)[SiH2]CCC[NH2+]CC[NH3+] ZINC000201365153 343894240 /nfs/dbraw/zinc/89/42/40/343894240.db2.gz XFFPIAQRIDTSIZ-UHFFFAOYSA-N 2 1 206.362 -0.912 10 70 BBIEMP