smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1cccc2c1[C@H](C)C[C@]1(C)C(=NCCC[NH2+]CCCC[NH3+])Nc3ccccc3[C@H]21 ZINC000013678596 563000740 /nfs/dbraw/zinc/00/07/40/563000740.db2.gz VAIFOQDETJKYCI-JRLVAEJTSA-N 2 3 433.644 4.916 1 30 IJEFHP