smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCNCCNCCN1CC[NH2+]CC1 ZINC000022590349 181396658 /nfs/dbraw/zinc/39/66/58/181396658.db2.gz LPOUQGUYVMSQOH-UHFFFAOYSA-N 2 3 215.345 -1.971 10 0 BAAEHP [NH3+]CCCNCC(O)CNCCC[NH3+] ZINC000060119729 487970660 /nfs/dbraw/zinc/97/06/60/487970660.db2.gz ROTZRXFOIZUOFF-UHFFFAOYSA-N 2 3 204.318 -1.776 10 0 BAAEHP