smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	ZINC000012429214	569304397	/nfs/dbraw/zinc/30/43/97/569304397.db2.gz	TZFHGGRAUOZLCK-UHFFFAOYSA-N	1	1	427.421	0.985	50	5		ICBAMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	ZINC000012429215	569304364	/nfs/dbraw/zinc/30/43/64/569304364.db2.gz	VTQNWRZTBCXYBK-UHFFFAOYSA-N	1	1	427.421	0.985	50	5		ICBAMO
CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000012549175	521667841	/nfs/dbraw/zinc/66/78/41/521667841.db2.gz	YDAZYBJIFKJBRU-INIZCTEOSA-N	1	1	439.538	0.454	50	5		ICBAMO
CNS(=O)(=O)c1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1	ZINC000012821451	568831491	/nfs/dbraw/zinc/83/14/91/568831491.db2.gz	XEFYSDHNXACEIN-UHFFFAOYSA-N	1	1	435.510	0.917	50	5		ICBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O	ZINC000015998950	568862070	/nfs/dbraw/zinc/86/20/70/568862070.db2.gz	QWDFWGBBKHHBQF-TVZIFOOBSA-N	1	1	449.423	0.704	50	5		ICBAMO
CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000021849417	521666530	/nfs/dbraw/zinc/66/65/30/521666530.db2.gz	YDAZYBJIFKJBRU-MRXNPFEDSA-N	1	1	439.538	0.454	50	5		ICBAMO
O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000040149886	569492631	/nfs/dbraw/zinc/49/26/31/569492631.db2.gz	KSSHZJGWHJDVGD-UHFFFAOYSA-N	1	1	440.522	0.834	50	5		ICBAMO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1	ZINC000089382613	568921490	/nfs/dbraw/zinc/92/14/90/568921490.db2.gz	BHBGOCSXXPXPFB-QGZVFWFLSA-N	1	1	431.493	0.949	50	5		ICBAMO
C[NH+]1CCN([C@H]2CCCCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)CC1	ZINC000089382615	568921308	/nfs/dbraw/zinc/92/13/08/568921308.db2.gz	BHBGOCSXXPXPFB-KRWDZBQOSA-N	1	1	431.493	0.949	50	5		ICBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2ccccc2NC1=O	ZINC000101342561	557279221	/nfs/dbraw/zinc/27/92/21/557279221.db2.gz	QWDFWGBBKHHBQF-BDLVCKJPSA-N	1	1	449.423	0.704	50	5		ICBAMO
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(CCOC)C3=O)[C@H]2C1	ZINC000102788303	557388152	/nfs/dbraw/zinc/38/81/52/557388152.db2.gz	JTTPYSVJXJKWNC-OXQOHEQNSA-N	1	1	431.449	0.373	50	5		ICBAMO
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(CCOC)C3=O)[C@H]2C1	ZINC000102788305	557388164	/nfs/dbraw/zinc/38/81/64/557388164.db2.gz	JTTPYSVJXJKWNC-UZLBHIALSA-N	1	1	431.449	0.373	50	5		ICBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@@]3(c4ccccc4NC3=O)[C@H]2C1=O	ZINC000106534830	557529902	/nfs/dbraw/zinc/52/99/02/557529902.db2.gz	QWDFWGBBKHHBQF-XCLQVSSVSA-N	1	1	449.423	0.704	50	5		ICBAMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@H]2C1=O	ZINC000106534834	557529852	/nfs/dbraw/zinc/52/98/52/557529852.db2.gz	QWDFWGBBKHHBQF-VVGBGTGLSA-N	1	1	449.423	0.704	50	5		ICBAMO
CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000170610321	569144936	/nfs/dbraw/zinc/14/49/36/569144936.db2.gz	INWWJXSQJXTRIO-CQSZACIVSA-N	1	1	426.495	0.687	50	5		ICBAMO
CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000170610322	569144872	/nfs/dbraw/zinc/14/48/72/569144872.db2.gz	INWWJXSQJXTRIO-AWEZNQCLSA-N	1	1	426.495	0.687	50	5		ICBAMO