smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CO[P@](=O)([O-])O 3869735 169342420 /nfs/dbraw/zinc/34/24/20/169342420.db2.gz ASCFNMCAHFUBCO-UHFFFAOYSA-N -2 2 156.030 -0.820 40 0 endogenous,in-man ABABLL O=C([O-])CO[P@@](=O)([O-])O 3869735 169342421 /nfs/dbraw/zinc/34/24/21/169342421.db2.gz ASCFNMCAHFUBCO-UHFFFAOYSA-N -2 2 156.030 -0.820 40 0 endogenous,in-man ABABLL O=C(O)C1[C@H](C(=O)[O-])[C@H]1C(=O)[O-] 247432664 171187407 /nfs/dbraw/zinc/18/74/07/171187407.db2.gz UVIRSBTTXOHPDA-RUNNTYDISA-N -2 2 174.108 -0.898 40 0 ABABLL Cc1c(O)nc2[nH]cnn2c1=O 1627167 342953036 /nfs/dbraw/zinc/95/30/36/342953036.db2.gz PZEPNSCKUUBRNM-UHFFFAOYSA-N -2 2 166.140 -0.156 40 0 ABABLL C[C@H](O[P@@](=O)([O-])O)C(=O)[O-] 6486927 343014684 /nfs/dbraw/zinc/01/46/84/343014684.db2.gz CSZRNWHGZPKNKY-REOHCLBHSA-N -2 2 170.057 -0.431 40 0 in-vitro ABABLL C[C@H](O[P@](=O)([O-])O)C(=O)[O-] 6486927 343014686 /nfs/dbraw/zinc/01/46/86/343014686.db2.gz CSZRNWHGZPKNKY-REOHCLBHSA-N -2 2 170.057 -0.431 40 0 in-vitro ABABLL C[C@@H](O[P@@](=O)([O-])O)C(=O)[O-] 6491507 351352883 /nfs/dbraw/zinc/35/28/83/351352883.db2.gz CSZRNWHGZPKNKY-UWTATZPHSA-N -2 2 170.057 -0.431 40 0 in-vivo ABABLL C[C@@H](O[P@](=O)([O-])O)C(=O)[O-] 6491507 351352886 /nfs/dbraw/zinc/35/28/86/351352886.db2.gz CSZRNWHGZPKNKY-UWTATZPHSA-N -2 2 170.057 -0.431 40 0 in-vivo ABABLL