smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1cc(C(=O)c2csc(S(N)(=O)=O)c2)ccc1O ZINC000027209293 212548909 /nfs/dbraw/zinc/54/89/09/212548909.db2.gz DWCZGULFVVIGBU-UHFFFAOYSA-N 1 2 340.426 1.394 1 10 EDCFLO [NH3+]CC(=O)Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2=O ZINC000069482313 290965863 /nfs/dbraw/zinc/96/58/63/290965863.db2.gz KUJPZLXEPPAGJG-AWEZNQCLSA-N 1 2 345.307 1.374 1 10 biogenic,in-vitro EDCFLO