smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc2ccccc2c1C1Nc2cccc3cccc(c32)N1 ZINC000000028681 563211076 /nfs/dbraw/zinc/21/10/76/563211076.db2.gz CZHAUERRAMVUGM-UHFFFAOYSA-N -1 3 312.372 5.235 50 10 aggregator DKCAHM CCCCCCc1cc(N=Nc2nccs2)c(O)cc1[O-] ZINC000254628856 563926028 /nfs/dbraw/zinc/92/60/28/563926028.db2.gz JXWXHRNDQDRGGP-UHFFFAOYSA-N -1 3 305.403 5.093 50 10 DKCAHM