smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NC(=[NH2+])N1CCNCC1 82164587 169141523 /nfs/dbraw/zinc/14/15/23/169141523.db2.gz WEIAHRZQEKRKDJ-UHFFFAOYSA-N 2 1 170.220 -1.900 50 30 in-vitro AAEAMP NC(=[NH2+])NCC[NH3+] 33605594 169188662 /nfs/dbraw/zinc/18/86/62/169188662.db2.gz MXDAOHAPVWZSQU-UHFFFAOYSA-N 2 1 102.141 -1.782 50 30 AAEAMP