smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCCCC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000216989712 174175936 /nfs/dbraw/zinc/17/59/36/174175936.db2.gz WVTSVKNXODIPOJ-UHFFFAOYSA-N 0 2 242.279 -0.079 50 70 BBIALN CCc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)ccn1 ZINC000218169752 385896663 /nfs/dbraw/zinc/89/66/63/385896663.db2.gz GZNVOKJDEZAUCR-UHFFFAOYSA-N 0 2 247.258 -0.015 50 70 BBIALN