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@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)C1=CC=C[CH]1 ZINC001229519046 1053342691 /nfs/dbraw/zinc/34/26/91/1053342691.db2.gz YGIVDJHTYWYAKY-LBPRGKRZSA-N -2 1 319.336 4.120 20 5 DIBDML O=[N+]([O-])c1cc(O)cc(Nc2cc(Cl)cc(Cl)c2O)c1 ZINC001201221665 1048224252 /nfs/dbraw/zinc/22/42/52/1048224252.db2.gz CXIQOCAXDYYZSE-UHFFFAOYSA-N -2 1 315.112 4.056 20 5 DIBDML C[C@@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)C1=CC=C[CH]1 ZINC001229519039 1053343120 /nfs/dbraw/zinc/34/31/20/1053343120.db2.gz YGIVDJHTYWYAKY-GFCCVEGCSA-N -2 1 319.336 4.120 20 5 DIBDML