smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CCNCC2)cn1C ZINC000159420463 372881236 /nfs/dbraw/zinc/88/12/36/372881236.db2.gz OTLHXAZYHCYRTG-UHFFFAOYSA-N -1 3 315.399 -1.171 20 70 DAIDHM