smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccc(C)cc1 ZINC000096937641 185392906 /nfs/dbraw/zinc/39/29/06/185392906.db2.gz NVVVWCDDUIMDQC-QGZVFWFLSA-N -1 3 324.380 4.008 1 10 DICFHM CCOC(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1ccc(C)cc1 ZINC000096937640 185392915 /nfs/dbraw/zinc/39/29/15/185392915.db2.gz NVVVWCDDUIMDQC-KRWDZBQOSA-N -1 3 324.380 4.008 1 10 DICFHM [O-]c1c(O)cc(/C=C/c2csc(-c3ccccc3)n2)cc1O ZINC000072116416 191038401 /nfs/dbraw/zinc/03/84/01/191038401.db2.gz RLFXUPDTZZURRF-VOTSOKGWSA-N -1 3 311.362 4.097 1 10 DICFHM Cc1ccc(-c2cc([O-])c3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000096934747 185392674 /nfs/dbraw/zinc/39/26/74/185392674.db2.gz NCEGBTONLHNUKY-UHFFFAOYSA-N -1 3 314.340 4.143 1 10 DICFHM CC(C)=CCCc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O ZINC000014491135 560221943 /nfs/dbraw/zinc/22/19/43/560221943.db2.gz JUALUQSCKLUXDY-UHFFFAOYSA-N -1 3 306.361 4.066 1 10 biogenic,in-vitro DICFHM