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)(C)c1cccc(-c2cccc(C(F)(F)[P@@](=O)([O-])O)c2)c1O ZINC000096285011 222110476 /nfs/dbraw/zinc/11/04/76/222110476.db2.gz SMLVVCTVWZQVKM-UHFFFAOYSA-N -1 2 356.305 4.584 1 0 FJAFLM CC(C)(C)c1cccc(-c2cccc(C(F)(F)[P@](=O)([O-])O)c2)c1O ZINC000096285011 222110481 /nfs/dbraw/zinc/11/04/81/222110481.db2.gz SMLVVCTVWZQVKM-UHFFFAOYSA-N -1 2 356.305 4.584 1 0 FJAFLM CCCCCCOC[C@@H](CC(F)(F)[P@@](=O)([O-])O)OCCCCCC ZINC000013759996 211058812 /nfs/dbraw/zinc/05/88/12/211058812.db2.gz BHSPLSNVNPCXBW-OAHLLOKOSA-N -1 2 374.405 4.709 1 0 FJAFLM CCCCCCOC[C@@H](CC(F)(F)[P@](=O)([O-])O)OCCCCCC ZINC000013759996 211058819 /nfs/dbraw/zinc/05/88/19/211058819.db2.gz BHSPLSNVNPCXBW-OAHLLOKOSA-N -1 2 374.405 4.709 1 0 FJAFLM O=[P@]([O-])(O)C(F)(F)c1cccc(-c2cccc(C3CCCC3)c2O)c1 ZINC000096285009 222110508 /nfs/dbraw/zinc/11/05/08/222110508.db2.gz QUKHNISJVSBBJJ-UHFFFAOYSA-N -1 2 368.316 4.944 1 0 FJAFLM O=[P@@]([O-])(O)C(F)(F)c1cccc(-c2cccc(C3CCCC3)c2O)c1 ZINC000096285009 222110511 /nfs/dbraw/zinc/11/05/11/222110511.db2.gz QUKHNISJVSBBJJ-UHFFFAOYSA-N -1 2 368.316 4.944 1 0 FJAFLM O=[P@]([O-])(O)C(F)(F)c1cccc(-c2cccc(C3CCC3)c2O)c1 ZINC000096285010 209150645 /nfs/dbraw/zinc/15/06/45/209150645.db2.gz OGMPGAZSDIOOPP-UHFFFAOYSA-N -1 2 354.289 4.554 1 0 FJAFLM O=[P@@]([O-])(O)C(F)(F)c1cccc(-c2cccc(C3CCC3)c2O)c1 ZINC000096285010 209150648 /nfs/dbraw/zinc/15/06/48/209150648.db2.gz OGMPGAZSDIOOPP-UHFFFAOYSA-N -1 2 354.289 4.554 1 0 FJAFLM