smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)nc1ccccc1c2Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC000053006579 136124682 /nfs/dbraw/zinc/12/46/82/136124682.db2.gz KGIGZIBMXZQUSF-UHFFFAOYSA-N 1 3 354.457 4.541 1 10 FJCFHO