smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCO[P@@](=O)(Oc1ccc([N+](=O)[O-])cc1)C1C=CC=CC1=S ZINC000100330583 219097094 /nfs/dbraw/zinc/09/70/94/219097094.db2.gz JICAUMGOGFWSKS-LRTDBIEQSA-N 0 2 339.309 4.068 10 10 EICELN CCO[P@@](=O)(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1C=CC=CC1=S ZINC000100330583 219097096 /nfs/dbraw/zinc/09/70/96/219097096.db2.gz JICAUMGOGFWSKS-LRTDBIEQSA-N 0 2 339.309 4.068 10 10 EICELN C/C(Cl)=C/Cc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000100385103 219098062 /nfs/dbraw/zinc/09/80/62/219098062.db2.gz UQDJZHBCEVUVNR-OWBHPGMISA-N 0 2 340.810 4.130 10 10 EICELN