smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=N/O)c1nnn(O)c1C 39059832 166054574 /nfs/dbraw/zinc/05/45/74/166054574.db2.gz MPLJJBBVGJQEKX-CLTKARDFSA-N -2 2 156.145 0.022 10 30 ACEELL