smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000012573114 521031772 /nfs/dbraw/zinc/03/17/72/521031772.db2.gz UUGLYBAESCRRJP-UHFFFAOYSA-N 0 2 439.515 2.816 20 5 IFBDLN