smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS/C(=N\C#N)Sc1ccc(Oc2ccccc2)cc1 ZINC000015443499 182002315 /nfs/dbraw/zinc/00/23/15/182002315.db2.gz MQMZGNLVTKAAOD-BMRADRMJSA-N 0 0 300.408 4.771 30 30 DJECRN