smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=P([O-])(O)C(Cc1ccccn1)[P@](=O)([O-])O ZINC000001999562 347963669 /nfs/dbraw/zinc/96/36/69/347963669.db2.gz NGMZSXZBZNXBGX-UHFFFAOYSA-N -2 2 267.114 0.306 40 0 in-man CCABLL O=P([O-])(O)C(Cc1ccccn1)[P@@](=O)([O-])O ZINC000001999562 347963677 /nfs/dbraw/zinc/96/36/77/347963677.db2.gz NGMZSXZBZNXBGX-UHFFFAOYSA-N -2 2 267.114 0.306 40 0 in-man CCABLL CC(Oc1ccc(O)cc1)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000001533832 347956525 /nfs/dbraw/zinc/95/65/25/347956525.db2.gz JKOCAAWWDVHWKB-UHFFFAOYSA-N -2 2 298.124 0.800 40 0 in-vitro CCABLL CC(Oc1ccc(O)cc1)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000001533832 347956531 /nfs/dbraw/zinc/95/65/31/347956531.db2.gz JKOCAAWWDVHWKB-UHFFFAOYSA-N -2 2 298.124 0.800 40 0 in-vitro CCABLL