smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccc(C[NH+](CCO)CCO)cc2C(=O)c2nccnc21 ZINC000028238951 202168395 /nfs/dbraw/zinc/16/83/95/202168395.db2.gz DJZMLJLCVSSKRR-UHFFFAOYSA-N 1 2 327.340 0.039 1 10 ECCFLO CCOC(=O)C([N+]#N)=C(O)CN1C(=O)[C@H]2CC(C)=C(C)C[C@H]2[C@@H]1O ZINC000005836972 201665198 /nfs/dbraw/zinc/66/51/98/201665198.db2.gz JBRLCDUTRGXQKV-SUNKGSAMSA-N 1 2 335.360 0.313 1 10 ECCFLO CCOC(=O)C([N+]#N)=C(O)CN1C(=O)[C@H]2CC(C)=C(C)C[C@H]2[C@H]1O ZINC000005836962 201665535 /nfs/dbraw/zinc/66/55/35/201665535.db2.gz JBRLCDUTRGXQKV-UHIISALHSA-N 1 2 335.360 0.313 1 10 ECCFLO