smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn(CC(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)c(=O)[nH]c1=O ZINC000218435202 525910135 /nfs/dbraw/zinc/91/01/35/525910135.db2.gz VGNCSPLJQWFXLX-CHWSQXEVSA-N 1 0 354.407 -1.303 50 70 FAIARO