smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(N=Nc1nncn1N)c1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cc1	ZINC000006014652	554499392	/nfs/dbraw/zinc/49/93/92/554499392.db2.gz	IKGJGIGNVBFGAX-MBTHVWNTSA-N	1	2	480.537	0.430	40	30		JCEBLO
COc1ccc(-n2c(=O)/c(=C\c3ccccn3)s/c2=C(/C#N)C(=O)N2CC[NH+](C)CC2)cc1	ZINC000009492722	555273341	/nfs/dbraw/zinc/27/33/41/555273341.db2.gz	LFBDKTRMRHUIJR-VIJRKPPOSA-N	1	2	461.547	0.580	40	30		JCEBLO
C/C(=N\NC(N)=S)c1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cc1	ZINC000013881978	555640223	/nfs/dbraw/zinc/64/02/23/555640223.db2.gz	SJRJXKOCFMVACP-VULFUBBASA-N	1	2	457.564	0.846	40	30		JCEBLO
CCN(CC)c1ccc(C=[NH+]Nc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000016678484	520881853	/nfs/dbraw/zinc/88/18/53/520881853.db2.gz	OPPVWZPOSXWQON-QPLSIJSKSA-N	1	2	457.491	0.023	40	30		JCEBLO
Nc1nc(N)c(C(=O)NC(=[NH2+])NCCCCc2ccc(OC[C@H](O)CO)cc2)nc1Cl	ZINC000034271593	563112797	/nfs/dbraw/zinc/11/27/97/563112797.db2.gz	NTRKMGDUWYBLMS-GFCCVEGCSA-N	1	2	451.915	0.094	40	30	in-vitro	JCEBLO
Nc1nc(N)c(C(=O)NC(=[NH2+])NCCCCc2ccc(OC[C@@H](O)CO)cc2)nc1Cl	ZINC000034663723	563114627	/nfs/dbraw/zinc/11/46/27/563114627.db2.gz	NTRKMGDUWYBLMS-LBPRGKRZSA-N	1	2	451.915	0.094	40	30	in-vitro	JCEBLO
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=[NH+]Nc2ncnc3[nH]cnc32)cc1	ZINC000104376134	569845476	/nfs/dbraw/zinc/84/54/76/569845476.db2.gz	VIOLWSFVSWPFLO-KSEXSDGBSA-N	1	2	497.559	0.558	40	30		JCEBLO