smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[NH2+]C[C@@H](O)COc1c2ccccc2[nH+]c2ccccc21 ZINC000031772409 431766099 /nfs/dbraw/zinc/76/60/99/431766099.db2.gz JUSVXBAWLVGDTE-CQSZACIVSA-N 2 1 310.397 3.126 40 5 DGBBMP CC(C)[NH2+]C[C@H](O)COc1c2ccccc2[nH+]c2ccccc21 ZINC000031772411 431766388 /nfs/dbraw/zinc/76/63/88/431766388.db2.gz JUSVXBAWLVGDTE-AWEZNQCLSA-N 2 1 310.397 3.126 40 5 DGBBMP