smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340232	569141448	/nfs/dbraw/zinc/14/14/48/569141448.db2.gz	SERPOPDKEJRNJA-FQEVSTJZSA-N	2	2	413.522	2.875	50	5		HFBALP
O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[NH+](CCc2ccccc2)CC1	ZINC000032845865	526656848	/nfs/dbraw/zinc/65/68/48/526656848.db2.gz	JJTBGDAUSNBDLY-UHFFFAOYSA-N	2	2	405.458	2.781	50	5		HFBALP
Cc1cc(N2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1	ZINC000026337973	569031370	/nfs/dbraw/zinc/03/13/70/569031370.db2.gz	SCOXLAOQHMFOGK-UHFFFAOYSA-N	2	2	412.494	2.967	50	5		HFBALP
Cc1[nH+]ccn1-c1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccn1	ZINC000069453964	571228220	/nfs/dbraw/zinc/22/82/20/571228220.db2.gz	YCYHKBJGFNHKBQ-UHFFFAOYSA-N	2	2	403.402	2.600	50	5		HFBALP
CCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340233	569141469	/nfs/dbraw/zinc/14/14/69/569141469.db2.gz	SERPOPDKEJRNJA-HXUWFJFHSA-N	2	2	413.522	2.875	50	5		HFBALP
CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000253369947	569364579	/nfs/dbraw/zinc/36/45/79/569364579.db2.gz	KJPLVBLDMVFXFT-ZWKOTPCHSA-N	2	2	424.567	2.553	50	5		HFBALP
CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000253369947	569364580	/nfs/dbraw/zinc/36/45/80/569364580.db2.gz	KJPLVBLDMVFXFT-ZWKOTPCHSA-N	2	2	424.567	2.553	50	5		HFBALP
CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000170690747	569298594	/nfs/dbraw/zinc/29/85/94/569298594.db2.gz	KJPLVBLDMVFXFT-MSOLQXFVSA-N	2	2	424.567	2.553	50	5		HFBALP
CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000170690747	569298596	/nfs/dbraw/zinc/29/85/96/569298596.db2.gz	KJPLVBLDMVFXFT-MSOLQXFVSA-N	2	2	424.567	2.553	50	5		HFBALP
CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000170690751	569298607	/nfs/dbraw/zinc/29/86/07/569298607.db2.gz	KJPLVBLDMVFXFT-ROUUACIJSA-N	2	2	424.567	2.553	50	5		HFBALP
CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000170690751	569298608	/nfs/dbraw/zinc/29/86/08/569298608.db2.gz	KJPLVBLDMVFXFT-ROUUACIJSA-N	2	2	424.567	2.553	50	5		HFBALP
CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000253369946	569364564	/nfs/dbraw/zinc/36/45/64/569364564.db2.gz	KJPLVBLDMVFXFT-QZTJIDSGSA-N	2	2	424.567	2.553	50	5		HFBALP
CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000253369946	569364566	/nfs/dbraw/zinc/36/45/66/569364566.db2.gz	KJPLVBLDMVFXFT-QZTJIDSGSA-N	2	2	424.567	2.553	50	5		HFBALP