smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])c1ccc(N=NNc2ccc(-c3cc4cc(C(N)=[NH2+])ccc4o3)cc2)cc1 ZINC000005842486 220901506 /nfs/dbraw/zinc/90/15/06/220901506.db2.gz DDTJTOJPCGMKBA-UHFFFAOYSA-N 2 0 397.442 4.779 1 10 GJCFRP Nc1ccc2c(c1)[nH+]c1cc(N)ccc1c2Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000026637364 207316796 /nfs/dbraw/zinc/31/67/96/207316796.db2.gz MJEQULGRFZPRKI-UHFFFAOYSA-N 2 0 383.499 4.892 1 10 GJCFRP