smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@@H](c1cccc2cccnc21)c1c([O-])c(C(C)=O)c([O-])c2c(C)cc(=O)oc21 ZINC000218057867 569456172 /nfs/dbraw/zinc/45/61/72/569456172.db2.gz UUOIHYRYCYTBTD-INIZCTEOSA-N -2 3 447.443 3.958 50 70 biogenic IHIAHL COC(=O)C[C@H](c1cccc2cccnc21)c1c([O-])c(C(C)=O)c([O-])c2c(C)cc(=O)oc21 ZINC000218057803 569456168 /nfs/dbraw/zinc/45/61/68/569456168.db2.gz UUOIHYRYCYTBTD-MRXNPFEDSA-N -2 3 447.443 3.958 50 70 biogenic IHIAHL