smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[P@@](=O)([O-])O ZINC000004025814 571293032 /nfs/dbraw/zinc/29/30/32/571293032.db2.gz NWJXKHVJFGAOMY-DYKIIFRCSA-N -1 2 368.410 3.996 40 30 FHEBLM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[P@](=O)([O-])O ZINC000004025814 571293033 /nfs/dbraw/zinc/29/30/33/571293033.db2.gz NWJXKHVJFGAOMY-DYKIIFRCSA-N -1 2 368.410 3.996 40 30 FHEBLM O=C([O-])c1cc2c(cc1/C=C/C(=O)c1cc(Cl)ccc1O)OCOC2 ZINC000005749437 204223636 /nfs/dbraw/zinc/22/36/36/204223636.db2.gz QAUAUXDGBFLDNC-HNQUOIGGSA-N -1 2 360.749 3.506 40 30 FHEBLM Cc1cc(C)c(C2C(=O)C(=O)C(C)=C([O-])C2=O)c(C)c1Br ZINC000001610650 570503050 /nfs/dbraw/zinc/50/30/50/570503050.db2.gz MOMQVHNCBIQCDX-UHFFFAOYSA-N -1 2 351.196 3.627 40 30 FHEBLM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O[P@@](=O)([O-])O ZINC000118918376 210244887 /nfs/dbraw/zinc/24/48/87/210244887.db2.gz NWJXKHVJFGAOMY-KZYORJDKSA-N -1 2 368.410 3.996 40 30 FHEBLM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O[P@](=O)([O-])O ZINC000118918376 210244890 /nfs/dbraw/zinc/24/48/90/210244890.db2.gz NWJXKHVJFGAOMY-KZYORJDKSA-N -1 2 368.410 3.996 40 30 FHEBLM