smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc2[o+]c3cc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])ccc3nc2c2ccccc12 ZINC000095612952 1066293008 /nfs/dbraw/zinc/29/30/08/1066293008.db2.gz YBOZUVODNFSAEL-VMPREFPWSA-O -1 1 814.920 0.409 40 5 KCBBMM