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(O)(Cc1ccc(-c2ccccc2)cc1)[P@@](=O)([O-])O ZINC000013673804 518664976 /nfs/dbraw/zinc/66/49/76/518664976.db2.gz LUYNHXMMVVHGRO-UHFFFAOYSA-N -2 2 358.223 1.898 10 0 FDAELL O=P([O-])(O)C(O)(Cc1ccc(-c2ccccc2)cc1)[P@](=O)([O-])O ZINC000013673804 518664984 /nfs/dbraw/zinc/66/49/84/518664984.db2.gz LUYNHXMMVVHGRO-UHFFFAOYSA-N -2 2 358.223 1.898 10 0 FDAELL O=P([O-])(O)C(O)(Cc1c(Cl)cccc1Cl)[P@@](=O)([O-])O ZINC000039419664 519636488 /nfs/dbraw/zinc/63/64/88/519636488.db2.gz JMJWRODFUKUZFR-UHFFFAOYSA-N -2 2 351.015 1.537 10 0 FDAELL O=P([O-])(O)C(O)(Cc1c(Cl)cccc1Cl)[P@](=O)([O-])O ZINC000039419664 519636492 /nfs/dbraw/zinc/63/64/92/519636492.db2.gz JMJWRODFUKUZFR-UHFFFAOYSA-N -2 2 351.015 1.537 10 0 FDAELL C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])no1)[N@H+](C)Cc1ccccc1 ZINC000316148354 963982690 /nfs/dbraw/zinc/98/26/90/963982690.db2.gz GZTKQGOCBADKEC-LLVKDONJSA-N -2 2 353.400 1.172 10 0 FDAELL C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])no1)[N@H+](C)Cc1ccccc1 ZINC000316148357 963982998 /nfs/dbraw/zinc/98/29/98/963982998.db2.gz GZTKQGOCBADKEC-NSHDSACASA-N -2 2 353.400 1.172 10 0 FDAELL O=P([O-])(O)C(O)(Cc1cccc(-c2ccccc2)c1)[P@@](=O)([O-])O ZINC000013673788 220083361 /nfs/dbraw/zinc/08/33/61/220083361.db2.gz JCCQVJBDIZBPGN-UHFFFAOYSA-N -2 2 358.223 1.898 10 0 FDAELL O=P([O-])(O)C(O)(Cc1cccc(-c2ccccc2)c1)[P@](=O)([O-])O ZINC000013673788 220083364 /nfs/dbraw/zinc/08/33/64/220083364.db2.gz JCCQVJBDIZBPGN-UHFFFAOYSA-N -2 2 358.223 1.898 10 0 FDAELL