smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N(O)CC[C@@H](O)P(=O)([O-])[O-] ZINC000095596627 188320632 /nfs/dbraw/zinc/32/06/32/188320632.db2.gz AVNNUNHSRLYFAG-YFKPBYRVSA-N -2 1 213.126 -0.890 1 30 BBEFML N#CCO[P@@](=O)([O-])OP(=O)([O-])O ZINC000103209322 188323382 /nfs/dbraw/zinc/32/33/82/188323382.db2.gz BOMYLACKMKPNJD-UHFFFAOYSA-N -2 1 217.010 -0.264 1 30 BBEFML N#CCO[P@](=O)([O-])OP(=O)([O-])O ZINC000103209322 188323381 /nfs/dbraw/zinc/32/33/81/188323381.db2.gz BOMYLACKMKPNJD-UHFFFAOYSA-N -2 1 217.010 -0.264 1 30 BBEFML N#CCOP(=O)([O-])O[P@@](=O)([O-])O ZINC000103209322 188323379 /nfs/dbraw/zinc/32/33/79/188323379.db2.gz BOMYLACKMKPNJD-UHFFFAOYSA-N -2 1 217.010 -0.264 1 30 BBEFML N#CCOP(=O)([O-])O[P@](=O)([O-])O ZINC000103209322 188323377 /nfs/dbraw/zinc/32/33/77/188323377.db2.gz BOMYLACKMKPNJD-UHFFFAOYSA-N -2 1 217.010 -0.264 1 30 BBEFML N#CCO[P@@](=O)([O-])OP(=O)([O-])[O-] ZINC000103209322 188323375 /nfs/dbraw/zinc/32/33/75/188323375.db2.gz BOMYLACKMKPNJD-UHFFFAOYSA-N -2 1 217.010 -0.264 1 30 BBEFML C#CCO[P@@](=O)([O-])CP(=O)([O-])O ZINC000103209327 188051585 /nfs/dbraw/zinc/05/15/85/188051585.db2.gz DLMJCZURYBEZIE-UHFFFAOYSA-N -3 1 214.050 -0.043 1 30 BBEFML C#CCO[P@](=O)([O-])CP(=O)([O-])O ZINC000103209327 188051583 /nfs/dbraw/zinc/05/15/83/188051583.db2.gz DLMJCZURYBEZIE-UHFFFAOYSA-N -2 1 214.050 -0.043 1 30 BBEFML C#CCOP(=O)([O-])C[P@@](=O)([O-])O ZINC000103209327 188051581 /nfs/dbraw/zinc/05/15/81/188051581.db2.gz DLMJCZURYBEZIE-UHFFFAOYSA-N -2 1 214.050 -0.043 1 30 BBEFML