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-])CN(CCN(CC(=O)[O-])C[P@@](=O)([O-])O)CP(=O)([O-])O ZINC000031302649 208011735 /nfs/dbraw/zinc/01/17/35/208011735.db2.gz RXHMBVBZOIQMJR-UHFFFAOYSA-N -4 2 364.184 -1.970 10 0 FAAELL O=C([O-])CN(CCN(CC(=O)[O-])C[P@](=O)([O-])O)CP(=O)([O-])O ZINC000031302649 208011730 /nfs/dbraw/zinc/01/17/30/208011730.db2.gz RXHMBVBZOIQMJR-UHFFFAOYSA-N -4 2 364.184 -1.970 10 0 FAAELL O=C1NC(=O)C(=c2[nH]c(=C3C(=O)NC(=O)NC3=O)c3ccccc32)C(=O)N1 ZINC000100048699 222233133 /nfs/dbraw/zinc/23/31/33/222233133.db2.gz JSBMGPVJAADXIZ-UHFFFAOYSA-N -2 2 367.277 -2.799 10 0 FAAELL