smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CO)NC=C1C(=O)NC(=O)NC1=O ZINC000103277862 187291140 /nfs/dbraw/zinc/29/11/40/187291140.db2.gz IRKXPLZJBKISKD-UHFFFAOYSA-N 0 1 227.220 -1.403 1 10 BACFMN