smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c([O-])c2c(=O)cc3c4c5c(cc(=O)c6c([O-])c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3 ZINC000100074424 554203596 /nfs/dbraw/zinc/20/35/96/554203596.db2.gz DGAZLNHJYDOWLG-GHMZBOCLSA-N -2 3 534.517 2.899 20 5 KFBDHL COc1c([O-])c2c(=O)cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3 ZINC000100074424 554203593 /nfs/dbraw/zinc/20/35/93/554203593.db2.gz DGAZLNHJYDOWLG-GHMZBOCLSA-N -2 3 534.517 2.899 20 5 KFBDHL COc1c(=O)c2c([O-])cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3 ZINC000100074424 554203591 /nfs/dbraw/zinc/20/35/91/554203591.db2.gz DGAZLNHJYDOWLG-GHMZBOCLSA-N -2 3 534.517 2.899 20 5 KFBDHL