smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C[C@H]1O[C@@H](O[C@@H](C[NH2+]CCCn2cc[nH+]c2)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O	ZINC000028225736	563058109	/nfs/dbraw/zinc/05/81/09/563058109.db2.gz	FAIXRDJFKFBZMO-ZISSTWMGSA-N	3	2	496.521	-3.148	1	0		JAAFLP
C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000028225885	563058081	/nfs/dbraw/zinc/05/80/81/563058081.db2.gz	SZPGUEKZKKMDDE-DOLTVHSWSA-N	3	2	485.538	-3.341	1	0		JAAFLP
C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000028225885	563058080	/nfs/dbraw/zinc/05/80/80/563058080.db2.gz	SZPGUEKZKKMDDE-DOLTVHSWSA-N	3	2	485.538	-3.341	1	0		JAAFLP
C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000028225889	563058094	/nfs/dbraw/zinc/05/80/94/563058094.db2.gz	SZPGUEKZKKMDDE-JFJWUTIJSA-N	3	2	485.538	-3.341	1	0		JAAFLP
C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1	ZINC000028225889	563058093	/nfs/dbraw/zinc/05/80/93/563058093.db2.gz	SZPGUEKZKKMDDE-JFJWUTIJSA-N	3	2	485.538	-3.341	1	0		JAAFLP
NC(=[NH2+])NCCCC[N@@H+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049069839	563201142	/nfs/dbraw/zinc/20/11/42/563201142.db2.gz	DLOOVRFFQLSQMA-YRGUDCOPSA-N	2	2	480.530	-2.605	1	0		JAAFLP
NC(=[NH2+])NCCCC[N@H+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049069839	563201141	/nfs/dbraw/zinc/20/11/41/563201141.db2.gz	DLOOVRFFQLSQMA-YRGUDCOPSA-N	2	2	480.530	-2.605	1	0		JAAFLP
NC(=[NH2+])NCCC[N@@H+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049113375	563202619	/nfs/dbraw/zinc/20/26/19/563202619.db2.gz	XBMZCXWGTKEJNB-UOYPZJKHSA-N	2	2	466.503	-2.995	1	0		JAAFLP
NC(=[NH2+])NCCC[N@H+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049113375	563202618	/nfs/dbraw/zinc/20/26/18/563202618.db2.gz	XBMZCXWGTKEJNB-UOYPZJKHSA-N	2	2	466.503	-2.995	1	0		JAAFLP
C[NH+]1CCN(CN2C(=O)[C@@H]3[C@H]4[C@@H]([C@@H]3C2=O)[C@H]2C=C[C@@H]4[C@H]3C(=O)N(CN4CC[NH+](C)CC4)C(=O)[C@H]32)CC1	ZINC000058557190	563207357	/nfs/dbraw/zinc/20/73/57/563207357.db2.gz	AHOKCVUTHKNVPX-QSWMWHTMSA-N	2	2	496.612	-1.340	1	0		JAAFLP