smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Cc1sc(C#N)nc1-c1ccc([P@@](=O)([O-])O)o1 ZINC000066099715 184388879 /nfs/dbraw/zinc/38/88/79/184388879.db2.gz IXRARPHYYKOUNF-UHFFFAOYSA-N -1 2 312.287 2.276 1 30 DEEFLM CC(C)Cc1sc(C#N)nc1-c1ccc([P@](=O)([O-])O)o1 ZINC000066099715 184388880 /nfs/dbraw/zinc/38/88/80/184388880.db2.gz IXRARPHYYKOUNF-UHFFFAOYSA-N -1 2 312.287 2.276 1 30 DEEFLM O=C1C(=O)C(c2ccccc2)C(=O)C([O-])=C1c1ccc(O)c(O)c1 ZINC000036422656 182825381 /nfs/dbraw/zinc/82/53/81/182825381.db2.gz GSHSUMLUNJWBPE-UHFFFAOYSA-N -1 2 324.288 2.488 1 30 DEEFLM O=C1C(=O)C(c2ccc(O)cc2)C(=O)C([O-])=C1c1ccc(O)cc1 ZINC000001731941 560184642 /nfs/dbraw/zinc/18/46/42/560184642.db2.gz FKQQKMGWCJGUCS-UHFFFAOYSA-N -1 2 324.288 2.488 1 30 biogenic,in-vitro DEEFLM