smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=CC(=NNc2ccc(Cl)cc2)C=C(C[NH+]2CCOCC2)C1=O ZINC000102653414 219218904 /nfs/dbraw/zinc/21/89/04/219218904.db2.gz NUQHIMKPLURKFY-MRCUWXFGSA-N 1 2 345.830 4.602 1 10 EJCFLO