smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCS(=O)(=O)[N-]c1cc(C(=O)N2CCN(C)CC2)ccc1OC ZINC000216844507 241215838 /nfs/dbraw/zinc/21/58/38/241215838.db2.gz WUMRLFQNRLEYRZ-UHFFFAOYSA-N -1 1 341.433 0.844 40 70 ECIBMM