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)OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccco2)[C@H](O)[C@@H]1O ZINC000005432461 556052640 /nfs/dbraw/zinc/05/26/40/556052640.db2.gz WDFCXEWULSQTFC-NFOTXUCKSA-N -1 2 427.310 -0.240 40 0 IBABLM O=[P@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccco2)[C@H](O)[C@@H]1O ZINC000005432461 556052637 /nfs/dbraw/zinc/05/26/37/556052637.db2.gz WDFCXEWULSQTFC-NFOTXUCKSA-N -1 2 427.310 -0.240 40 0 IBABLM O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccco2)[C@H](O)[C@@H]1O ZINC000005432462 556052669 /nfs/dbraw/zinc/05/26/69/556052669.db2.gz WDFCXEWULSQTFC-AYIJCJCZSA-N -1 2 427.310 -0.240 40 0 IBABLM O=[P@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccco2)[C@H](O)[C@@H]1O ZINC000005432462 556052666 /nfs/dbraw/zinc/05/26/66/556052666.db2.gz WDFCXEWULSQTFC-AYIJCJCZSA-N -1 2 427.310 -0.240 40 0 IBABLM O=[P@@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccco2)[C@@H](O)[C@@H]1O ZINC000005432464 556052687 /nfs/dbraw/zinc/05/26/87/556052687.db2.gz WDFCXEWULSQTFC-LIBKGXAOSA-N -1 2 427.310 -0.240 40 0 IBABLM O=[P@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccco2)[C@@H](O)[C@@H]1O ZINC000005432464 556052685 /nfs/dbraw/zinc/05/26/85/556052685.db2.gz WDFCXEWULSQTFC-LIBKGXAOSA-N -1 2 427.310 -0.240 40 0 IBABLM O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccco2)[C@@H](O)[C@@H]1O ZINC000005432465 556052708 /nfs/dbraw/zinc/05/27/08/556052708.db2.gz WDFCXEWULSQTFC-XDYICZGBSA-N -1 2 427.310 -0.240 40 0 IBABLM O=[P@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccco2)[C@@H](O)[C@@H]1O ZINC000005432465 556052706 /nfs/dbraw/zinc/05/27/06/556052706.db2.gz WDFCXEWULSQTFC-XDYICZGBSA-N -1 2 427.310 -0.240 40 0 IBABLM