smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(O)c2c(c1)cc1c(c2O)C(=O)[C@@]2(O)C(=O)C(=C(C)[O-])C(=O)C[C@]2(O)C1 ZINC000014293956 560221195 /nfs/dbraw/zinc/22/11/95/560221195.db2.gz CHBGBJNXHMNLOQ-RTWAWAEBSA-N -1 2 414.366 0.835 1 0 in-vitro HCAFLM COc1cc(O)c2c(c1)cc1c(c2O)C(=O)[C@@]2(O)C([O-])=C(C(C)=O)C(=O)C[C@]2(O)C1 ZINC000014293956 560221193 /nfs/dbraw/zinc/22/11/93/560221193.db2.gz CHBGBJNXHMNLOQ-RTWAWAEBSA-N -1 2 414.366 0.835 1 0 in-vitro HCAFLM COc1cc(O)c2c(c1)cc1c(c2O)C(=O)[C@@]2(O)C(=O)C(C(C)=O)=C([O-])C[C@]2(O)C1 ZINC000014293956 560221192 /nfs/dbraw/zinc/22/11/92/560221192.db2.gz CHBGBJNXHMNLOQ-RTWAWAEBSA-N -1 2 414.366 0.835 1 0 in-vitro HCAFLM COc1cc(O)c2c(c1)cc1c(c2O)C(=O)[C@]2(O)C(=O)C(=C(C)[O-])C(=O)C[C@]2(O)C1 ZINC000014293958 560221129 /nfs/dbraw/zinc/22/11/29/560221129.db2.gz CHBGBJNXHMNLOQ-NHCUHLMSSA-N -1 2 414.366 0.835 1 0 in-vitro HCAFLM COc1cc(O)c2c(c1)cc1c(c2O)C(=O)[C@]2(O)C([O-])=C(C(C)=O)C(=O)C[C@]2(O)C1 ZINC000014293958 560221128 /nfs/dbraw/zinc/22/11/28/560221128.db2.gz CHBGBJNXHMNLOQ-NHCUHLMSSA-N -1 2 414.366 0.835 1 0 in-vitro HCAFLM COc1cc(O)c2c(c1)cc1c(c2O)C(=O)[C@]2(O)C(=O)C(C(C)=O)=C([O-])C[C@]2(O)C1 ZINC000014293958 560221127 /nfs/dbraw/zinc/22/11/27/560221127.db2.gz CHBGBJNXHMNLOQ-NHCUHLMSSA-N -1 2 414.366 0.835 1 0 in-vitro HCAFLM COc1cc(O)c2c(c1)cc1c(c2O)C(=O)[C@]2(O)C(=O)C(=C(C)[O-])C(=O)C[C@@]2(O)C1 ZINC000014853093 560227137 /nfs/dbraw/zinc/22/71/37/560227137.db2.gz CHBGBJNXHMNLOQ-LEWJYISDSA-N -1 2 414.366 0.835 1 0 in-vitro HCAFLM COc1cc(O)c2c(c1)cc1c(c2O)C(=O)[C@]2(O)C([O-])=C(C(C)=O)C(=O)C[C@@]2(O)C1 ZINC000014853093 560227135 /nfs/dbraw/zinc/22/71/35/560227135.db2.gz CHBGBJNXHMNLOQ-LEWJYISDSA-N -1 2 414.366 0.835 1 0 in-vitro HCAFLM COc1cc(O)c2c(c1)cc1c(c2O)C(=O)[C@]2(O)C(=O)C(C(C)=O)=C([O-])C[C@@]2(O)C1 ZINC000014853093 560227133 /nfs/dbraw/zinc/22/71/33/560227133.db2.gz CHBGBJNXHMNLOQ-LEWJYISDSA-N -1 2 414.366 0.835 1 0 in-vitro HCAFLM