smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Sc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000004774646 181150515 /nfs/dbraw/zinc/15/05/15/181150515.db2.gz ABZVNGGVGDRLOC-UHFFFAOYSA-N 1 2 302.402 5.420 40 10 DKCBLO Cc1ccc(-c2ccc(C(C)C)cc2)n1-c1ccc([NH+](C)C)cc1 ZINC000228925001 257214583 /nfs/dbraw/zinc/21/45/83/257214583.db2.gz VZBSIPSFZUJELF-UHFFFAOYSA-N 1 2 318.464 5.642 40 10 DKCBLO Cc1ccc(-c2cccc(Cl)c2)n1-c1ccc([NH+](C)C)cc1 ZINC000228928672 262505749 /nfs/dbraw/zinc/50/57/49/262505749.db2.gz NPZVGUZAGLHPIW-UHFFFAOYSA-N 1 2 310.828 5.172 40 10 DKCBLO CSc1ccc(-c2ccc(C)n2-c2ccc([NH+](C)C)cc2)cc1 ZINC000228931884 257214589 /nfs/dbraw/zinc/21/45/89/257214589.db2.gz LGZIKCHLMQBGLM-UHFFFAOYSA-N 1 2 322.477 5.241 40 10 DKCBLO Cc1ccc(-c2ccc(Cl)cc2)n1-c1ccc([NH+](C)C)cc1 ZINC000228979908 563914655 /nfs/dbraw/zinc/91/46/55/563914655.db2.gz TZAOYRVNGUBOBW-UHFFFAOYSA-N 1 2 310.828 5.172 40 10 DKCBLO