smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCCNC1=[NH+]CCN1C1=[NH+]CCN1 ZINC000097973096 519991172 /nfs/dbraw/zinc/99/11/72/519991172.db2.gz MMCAGXPNGFAAPS-UHFFFAOYSA-N 2 0 391.648 5.078 50 30 GKEARP CCCCCCCCCCCCCCCCCCN(CCC[NH3+])CCC[NH3+] ZINC000101172130 208387655 /nfs/dbraw/zinc/38/76/55/208387655.db2.gz OJKYUUWWSXGVAM-UHFFFAOYSA-N 2 0 383.709 6.248 50 30 GKEARP CCCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCCC)cc2)cc1 ZINC000084669972 570971648 /nfs/dbraw/zinc/97/16/48/570971648.db2.gz XJBZQYZBUDQHEW-UHFFFAOYSA-N 2 0 382.636 6.650 50 30 GKEARP