smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+]CC[NH3+])c1c(O)cccc1O	113603810	572114190	/nfs/dbraw/zinc/11/41/90/572114190.db2.gz	CEWRJAKDTIJMRQ-ZETCQYMHSA-N	2	1	196.250	0.707	10	10		ACCEMP
C[C@@H]([NH2+]CC[NH3+])c1c(O)cccc1O	113603807	572115199	/nfs/dbraw/zinc/11/51/99/572115199.db2.gz	CEWRJAKDTIJMRQ-SSDOTTSWSA-N	2	1	196.250	0.707	10	10		ACCEMP
Cc1ccc(O)c(C[NH2+]CC[NH3+])c1	69606337	572123156	/nfs/dbraw/zinc/12/31/56/572123156.db2.gz	JDGYDCGEDBYXOM-UHFFFAOYSA-N	2	1	180.251	0.749	10	10		ACCEMP
C[C@H](NCC[NH3+])c1ccc(O)cc1O	37712402	572174722	/nfs/dbraw/zinc/17/47/22/572174722.db2.gz	WCMLGODEQXDLDR-ZETCQYMHSA-N	2	1	196.250	0.707	10	10		ACCEMP
COc1ccc(O)c(C[NH2+]CCN)c1	37712703	572177966	/nfs/dbraw/zinc/17/79/66/572177966.db2.gz	KEEIQJPHLLXBIQ-UHFFFAOYSA-N	2	1	196.250	0.449	10	10		ACCEMP
Nc1ccc(CC[NH2+]CC[NH3+])cc1	238588453	572851599	/nfs/dbraw/zinc/85/15/99/572851599.db2.gz	GMLOHAURRJBPSZ-UHFFFAOYSA-N	2	1	179.267	0.360	10	10		ACCEMP
CC[N@@H+](CCO)C1=CCC([N+]#N)C=C1	100008558	167183974	/nfs/dbraw/zinc/18/39/74/167183974.db2.gz	HRVASZFVRTZSFO-UHFFFAOYSA-N	2	1	193.250	0.815	10	10		ACCEMP
[NH3+]CC[NH2+]CCc1ccc(O)c(O)c1	28259130	169189580	/nfs/dbraw/zinc/18/95/80/169189580.db2.gz	SSDDWAKTZXWKHJ-UHFFFAOYSA-N	2	1	196.250	0.189	10	10		ACCEMP
[NH3+]Cc1cccc(C[NH3+])c1O	39059349	169224562	/nfs/dbraw/zinc/22/45/62/169224562.db2.gz	MLFMHFIZZONLJX-UHFFFAOYSA-N	2	1	152.197	0.310	10	10		ACCEMP
CN(C)c1ccc(C[NH2+]CC[NH3+])cc1	37712260	343176194	/nfs/dbraw/zinc/17/61/94/343176194.db2.gz	KQLTYAQDIBOBOZ-UHFFFAOYSA-N	2	1	193.294	0.801	10	10		ACCEMP
[NH3+]CC[C@H]([NH3+])c1cccc(F)c1O	306953260	345716113	/nfs/dbraw/zinc/71/61/13/345716113.db2.gz	MHSPFEVECAPNBH-QMMMGPOBSA-N	2	1	184.214	0.880	10	10		ACCEMP
[NH3+]CC[C@@H]([NH3+])c1cccc(F)c1O	307366768	345998102	/nfs/dbraw/zinc/99/81/02/345998102.db2.gz	MHSPFEVECAPNBH-MRVPVSSYSA-N	2	1	184.214	0.880	10	10		ACCEMP