smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1c([N+](=O)[O-])ncn1[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000013514749 560218165 /nfs/dbraw/zinc/21/81/65/560218165.db2.gz YVRCVGZPIYHJLU-AFCXAGJDSA-N -1 2 340.185 -1.898 1 5 in-vitro EABFLM Nc1c([N+](=O)[O-])ncn1[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000013514749 560218163 /nfs/dbraw/zinc/21/81/63/560218163.db2.gz YVRCVGZPIYHJLU-AFCXAGJDSA-N -1 2 340.185 -1.898 1 5 in-vitro EABFLM Nc1c([N+](=O)[O-])cnn1[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000040898079 213398315 /nfs/dbraw/zinc/39/83/15/213398315.db2.gz BXPNXALUNMZADS-UAKXSSHOSA-N -1 2 340.185 -1.898 1 5 EABFLM Nc1c([N+](=O)[O-])cnn1[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000040898079 213398314 /nfs/dbraw/zinc/39/83/14/213398314.db2.gz BXPNXALUNMZADS-UAKXSSHOSA-N -1 2 340.185 -1.898 1 5 EABFLM