smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCNC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)NCC[NH3+])ccc1C2=O ZINC000029059851 207355657 /nfs/dbraw/zinc/35/56/57/207355657.db2.gz XWKZROLIICGBRP-UHFFFAOYSA-N 2 0 380.404 -0.161 1 10 GBCFRP