smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C1COC2OCCNC2N1 104679212 1169139484 /nfs/dbraw/zinc/13/94/84/1169139484.db2.gz IQMKBJOMCNODAU-UHFFFAOYSA-N 0 0 144.174 -1.122 30 0 AAACRN