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[C@H](O)C(=O)O[P@@](=O)([O-])O 100797253 573822320 /nfs/dbraw/zinc/82/23/20/573822320.db2.gz HSILTIHVDTVKRH-REOHCLBHSA-N -1 2 184.040 -1.818 10 30 AAEELM O=C[C@H](O)C(=O)O[P@](=O)([O-])O 100797253 573822325 /nfs/dbraw/zinc/82/23/25/573822325.db2.gz HSILTIHVDTVKRH-REOHCLBHSA-N -1 2 184.040 -1.818 10 30 AAEELM N/C(CO[P@@](=O)([O-])O)=N/O 26738858 169132021 /nfs/dbraw/zinc/13/20/21/169132021.db2.gz RGTWPXHBFMRQRP-UHFFFAOYSA-N -1 2 170.061 -1.158 10 30 AAEELM N/C(CO[P@](=O)([O-])O)=N/O 26738858 169132024 /nfs/dbraw/zinc/13/20/24/169132024.db2.gz RGTWPXHBFMRQRP-UHFFFAOYSA-N -1 2 170.061 -1.158 10 30 AAEELM O=C(CO[P@@](=O)([O-])O)NO 3873625 169322102 /nfs/dbraw/zinc/32/21/02/169322102.db2.gz BAXHHWZKQZIJID-UHFFFAOYSA-N -1 2 171.045 -1.399 10 30 in-vivo AAEELM O=C(CO[P@](=O)([O-])O)NO 3873625 169322103 /nfs/dbraw/zinc/32/21/03/169322103.db2.gz BAXHHWZKQZIJID-UHFFFAOYSA-N -1 2 171.045 -1.399 10 30 in-vivo AAEELM O=C[C@@H](O)C(=O)O[P@@](=O)([O-])O 29400165 169399175 /nfs/dbraw/zinc/39/91/75/169399175.db2.gz HSILTIHVDTVKRH-UWTATZPHSA-N -1 2 184.040 -1.818 10 30 AAEELM O=C[C@@H](O)C(=O)O[P@](=O)([O-])O 29400165 169399176 /nfs/dbraw/zinc/39/91/76/169399176.db2.gz HSILTIHVDTVKRH-UWTATZPHSA-N -1 2 184.040 -1.818 10 30 AAEELM