smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2[nH]c3ccc(N4CC[NH+](C)CC4)cc3[nH+]2)cc1C#N ZINC000587188995 1298053283 /nfs/dbraw/zinc/05/32/83/1298053283.db2.gz WGLDGPSAJHHXQB-UHFFFAOYSA-N 2 2 331.423 3.162 1 30 EGEFLP N#Cc1ccc(-c2ccc(OCCC[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC000022941188 202094770 /nfs/dbraw/zinc/09/47/70/202094770.db2.gz LVTJCSTYQPNIJJ-UHFFFAOYSA-N 2 2 335.451 3.289 1 30 EGEFLP N#Cc1ccc(-c2ccc(OCCC[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC000022941188 202094774 /nfs/dbraw/zinc/09/47/74/202094774.db2.gz LVTJCSTYQPNIJJ-UHFFFAOYSA-N 2 2 335.451 3.289 1 30 EGEFLP C[NH+](C)Cc1cc(/C=C/C(=O)c2ccccc2)cc(C[NH+](C)C)c1O ZINC000025974521 202137430 /nfs/dbraw/zinc/13/74/30/202137430.db2.gz JCCSQVLHISATHT-ZHACJKMWSA-N 2 2 338.451 3.412 1 30 EGEFLP