smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCNc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000005439578 557653518 /nfs/dbraw/zinc/65/35/18/557653518.db2.gz DUISZFLWBAPRBR-NFOTXUCKSA-N -1 2 415.343 -0.067 40 0 HBABLM CC(C)=CCNc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000005439578 557653515 /nfs/dbraw/zinc/65/35/15/557653515.db2.gz DUISZFLWBAPRBR-NFOTXUCKSA-N -1 2 415.343 -0.067 40 0 HBABLM CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000005439579 557653603 /nfs/dbraw/zinc/65/36/03/557653603.db2.gz DUISZFLWBAPRBR-AYIJCJCZSA-N -1 2 415.343 -0.067 40 0 HBABLM CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000005439579 557653602 /nfs/dbraw/zinc/65/36/02/557653602.db2.gz DUISZFLWBAPRBR-AYIJCJCZSA-N -1 2 415.343 -0.067 40 0 HBABLM CC(C)=CCNc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000005439581 557653562 /nfs/dbraw/zinc/65/35/62/557653562.db2.gz DUISZFLWBAPRBR-LIBKGXAOSA-N -1 2 415.343 -0.067 40 0 HBABLM CC(C)=CCNc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000005439581 557653558 /nfs/dbraw/zinc/65/35/58/557653558.db2.gz DUISZFLWBAPRBR-LIBKGXAOSA-N -1 2 415.343 -0.067 40 0 HBABLM CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000005439583 557653553 /nfs/dbraw/zinc/65/35/53/557653553.db2.gz DUISZFLWBAPRBR-XDYICZGBSA-N -1 2 415.343 -0.067 40 0 HBABLM CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000005439583 557653551 /nfs/dbraw/zinc/65/35/51/557653551.db2.gz DUISZFLWBAPRBR-XDYICZGBSA-N -1 2 415.343 -0.067 40 0 HBABLM