smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(=O)[nH]c(C[N@@H+](Cc2ccccc2OC)C2CC2)n1 ZINC000160926238 426001702 /nfs/dbraw/zinc/00/17/02/426001702.db2.gz DGFJWBXUIAIJRG-UHFFFAOYSA-N -1 2 313.401 2.918 20 70 DFIDLM CC[C@H](C)[C@H]([NH2+]Cc1nc(C)ccc1O)C(=O)OC(C)(C)C ZINC000160947732 295396842 /nfs/dbraw/zinc/39/68/42/295396842.db2.gz FZVPFGAERVQKBA-NHYWBVRUSA-N -1 2 308.422 2.942 20 70 DFIDLM