smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(-c2nc(C3CC[NH2+]CC3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000028000374 581092096 /nfs/dbraw/zinc/09/20/96/581092096.db2.gz FCMPDTKSOYPNKV-UHFFFAOYSA-N 1 1 401.514 3.710 1 10 HHCFMO CCC[C@@H]1c2cc[nH]c2CC=C1C(=O)C=C(O)CCc1cc(C[NH2+]C)c(O)c(OC)c1 ZINC000103531659 291249603 /nfs/dbraw/zinc/24/96/03/291249603.db2.gz STZKXXCFZMCXPG-TZIWHRDSSA-N 1 1 423.533 3.922 1 10 biogenic,in-vitro HHCFMO CCC[C@@H]1c2cc[nH]c2CC=C1C(O)=CC(=O)CCc1cc(C[NH2+]C)c(O)c(OC)c1 ZINC000103531659 291249606 /nfs/dbraw/zinc/24/96/06/291249606.db2.gz STZKXXCFZMCXPG-TZIWHRDSSA-N 1 1 423.533 3.922 1 10 biogenic,in-vitro HHCFMO