smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(O)c(O)c1)[N@H+]2C ZINC000027408645 171516449 /nfs/dbraw/zinc/51/64/49/171516449.db2.gz KFDFKTMFADMFFP-FUTJPDQTSA-N 1 1 291.347 1.837 1 10 CDCFMO CCCCC[C@H](O)C=C[N+](O)=N[C@@H](COC)[C@H](C)O ZINC000095576708 185011422 /nfs/dbraw/zinc/01/14/22/185011422.db2.gz GCPVNKGMEZZCJD-QTTXLXORSA-N 1 1 274.361 1.800 1 10 CDCFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(O)c(O)c1)[N@H+]2C ZINC000013587614 170566252 /nfs/dbraw/zinc/56/62/52/170566252.db2.gz KFDFKTMFADMFFP-YFCNSXCBSA-N 1 1 291.347 1.837 1 10 CDCFMO CCCCC[C@@H](O)C=C[N+](O)=N[C@@H](COC)[C@H](C)O ZINC000095576709 185011544 /nfs/dbraw/zinc/01/15/44/185011544.db2.gz GCPVNKGMEZZCJD-HWUJDIJESA-N 1 1 274.361 1.800 1 10 CDCFMO