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+])C(=NNc1ccccc1)C(N)=O ZINC000102976970 181192802 /nfs/dbraw/zinc/19/28/02/181192802.db2.gz IWQCRGGEGLIWHV-HUMLOLMPSA-N 1 2 205.221 0.560 1 10 BCCFLO [NH3+]CC[NH2+]Cc1c(O)ccc2ccc(=O)oc21 ZINC000040818309 181396313 /nfs/dbraw/zinc/39/63/13/181396313.db2.gz PIRHQZKETDGNCP-UHFFFAOYSA-N 1 2 234.255 0.547 1 10 BCCFLO [NH3+]CC[NH2+]Cc1c([O-])ccc2ccc(=O)oc21 ZINC000040818309 181396317 /nfs/dbraw/zinc/39/63/17/181396317.db2.gz PIRHQZKETDGNCP-UHFFFAOYSA-N 1 2 234.255 0.547 1 10 BCCFLO