smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[NH3+])cc1C2=O ZINC000029059988 207356368 /nfs/dbraw/zinc/35/63/68/207356368.db2.gz CAKAFBCKHAQHAF-UHFFFAOYSA-N 1 3 380.404 1.037 1 10 GDCFHO