smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1c([O-])cc(O)cc1O[C@H]1CCCC[C@@H]1F	ZINC001228975269	776674617	/nfs/dbraw/zinc/67/46/17/776674617.db2.gz	YYIZPMJGCNIQQE-WPRPVWTQSA-N	-2	0	271.244	2.666	20	5		CFBDRL
O=[N+]([O-])c1c([O-])cc(O)cc1O[C@@H]1C[C@@H]2CC[C@H]1C2	ZINC001228974655	776673576	/nfs/dbraw/zinc/67/35/76/776673576.db2.gz	VLPXQYZIEJRKQZ-VHSKPIJISA-N	-2	0	265.265	2.573	20	5		CFBDRL
O=[N+]([O-])c1c([O-])cc(O)cc1O[C@H]1CCCC[C@H]1F	ZINC001228975263	776674824	/nfs/dbraw/zinc/67/48/24/776674824.db2.gz	YYIZPMJGCNIQQE-SCZZXKLOSA-N	-2	0	271.244	2.666	20	5		CFBDRL
Cc1cccc(O)c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000183758179	381314808	/nfs/dbraw/zinc/31/48/08/381314808.db2.gz	BXGUUMSRZDUEHH-UHFFFAOYSA-N	-2	0	288.259	2.567	20	5		CFBDRL
O=C([O-])c1ccnc(/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000340592089	304273001	/nfs/dbraw/zinc/27/30/01/304273001.db2.gz	DZNMZRDJKJTUOY-IWQZZHSRSA-N	-2	0	286.243	2.564	20	5		CFBDRL
O=C([O-])c1cnc(/C=C\c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000436978667	394040592	/nfs/dbraw/zinc/04/05/92/394040592.db2.gz	ISTXLVPSMDFWNP-RQOWECAXSA-N	-2	0	292.272	2.626	20	5		CFBDRL
O=C([O-])c1ccnc(/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000340590034	383480681	/nfs/dbraw/zinc/48/06/81/383480681.db2.gz	JDNAWOGZFUVVMR-UPHRSURJSA-N	-2	0	286.243	2.564	20	5		CFBDRL
C[C@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])C1=CC=C[CH]1	ZINC001231225310	777174546	/nfs/dbraw/zinc/17/45/46/777174546.db2.gz	WLQYMKALHRXTPB-QMMMGPOBSA-N	-2	0	291.239	2.676	20	5		CFBDRL
O=C([O-])c1ccc(/C=C/c2cc([O-])ccc2[N+](=O)[O-])nc1	ZINC000833311701	604773200	/nfs/dbraw/zinc/77/32/00/604773200.db2.gz	BBXZKCIIBSMLTL-HNQUOIGGSA-N	-2	0	286.243	2.564	20	5		CFBDRL
O=C([O-])c1cnc(/C=C\c2cc([O-])ccc2[N+](=O)[O-])s1	ZINC000448117218	383046355	/nfs/dbraw/zinc/04/63/55/383046355.db2.gz	WKARWMQYLVPKCS-RJRFIUFISA-N	-2	0	292.272	2.626	20	5		CFBDRL
CC1(C)C(=O)CCC[C@@H]1Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228974980	776673786	/nfs/dbraw/zinc/67/37/86/776673786.db2.gz	WLSQQOUEOXVZGU-LBPRGKRZSA-N	-2	0	295.291	2.533	20	5		CFBDRL
O=C([O-])c1ccnc(/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000436813849	394023894	/nfs/dbraw/zinc/02/38/94/394023894.db2.gz	GJMOZCNQGACLNI-HNQUOIGGSA-N	-2	0	286.243	2.564	20	5		CFBDRL
O=C([O-])c1ccnc(/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000436813852	304272835	/nfs/dbraw/zinc/27/28/35/304272835.db2.gz	GJMOZCNQGACLNI-IWQZZHSRSA-N	-2	0	286.243	2.564	20	5		CFBDRL
O=C([O-])c1cnc(/C=C/c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000436978663	394040291	/nfs/dbraw/zinc/04/02/91/394040291.db2.gz	ISTXLVPSMDFWNP-DUXPYHPUSA-N	-2	0	292.272	2.626	20	5		CFBDRL
O=C([O-])c1ccnc(/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000340590033	526399984	/nfs/dbraw/zinc/39/99/84/526399984.db2.gz	JDNAWOGZFUVVMR-OWOJBTEDSA-N	-2	0	286.243	2.564	20	5		CFBDRL
C[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])c1ccco1	ZINC001228974520	776674412	/nfs/dbraw/zinc/67/44/12/776674412.db2.gz	UCOMDANHNRTWHD-SSDOTTSWSA-N	-2	0	265.221	2.739	20	5		CFBDRL
O=C([O-])c1cnc(/C=C\c2ccc([N+](=O)[O-])c([O-])c2)s1	ZINC000338618188	304275230	/nfs/dbraw/zinc/27/52/30/304275230.db2.gz	PONTXVQUSXYJCH-RQOWECAXSA-N	-2	0	292.272	2.626	20	5		CFBDRL
O=C([O-])c1ccnc(/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000340592088	383481841	/nfs/dbraw/zinc/48/18/41/383481841.db2.gz	DZNMZRDJKJTUOY-HNQUOIGGSA-N	-2	0	286.243	2.564	20	5		CFBDRL
CC[C@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C(C)C	ZINC001228975386	776674726	/nfs/dbraw/zinc/67/47/26/776674726.db2.gz	ZUVQZDPAXKIGOH-JTQLQIEISA-N	-2	0	255.270	2.819	20	5		CFBDRL
O=C([O-])c1ccc(/C=C\c2cc([O-])ccc2[N+](=O)[O-])nc1	ZINC000833311704	604773221	/nfs/dbraw/zinc/77/32/21/604773221.db2.gz	BBXZKCIIBSMLTL-IWQZZHSRSA-N	-2	0	286.243	2.564	20	5		CFBDRL
CC[C@@H](Oc1cc(O)cc([O-])c1[N+](=O)[O-])C(C)C	ZINC001228975391	776674700	/nfs/dbraw/zinc/67/47/00/776674700.db2.gz	ZUVQZDPAXKIGOH-SNVBAGLBSA-N	-2	0	255.270	2.819	20	5		CFBDRL
O=C([O-])c1cnc(/C=C/c2cc([O-])ccc2[N+](=O)[O-])s1	ZINC000448117217	383045999	/nfs/dbraw/zinc/04/59/99/383045999.db2.gz	WKARWMQYLVPKCS-DAFODLJHSA-N	-2	0	292.272	2.626	20	5		CFBDRL
C[C@@H](Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-])C1=CC=C[CH]1	ZINC001231225309	777173907	/nfs/dbraw/zinc/17/39/07/777173907.db2.gz	WLQYMKALHRXTPB-MRVPVSSYSA-N	-2	0	291.239	2.676	20	5		CFBDRL
O=[N+]([O-])c1c([O-])cc(O)cc1O[C@@H]1CCCC[C@H]1F	ZINC001228975260	776674326	/nfs/dbraw/zinc/67/43/26/776674326.db2.gz	YYIZPMJGCNIQQE-PSASIEDQSA-N	-2	0	271.244	2.666	20	5		CFBDRL
O=C([O-])c1cnc(/C=C/c2ccc([N+](=O)[O-])c([O-])c2)s1	ZINC000338618187	526402912	/nfs/dbraw/zinc/40/29/12/526402912.db2.gz	PONTXVQUSXYJCH-DUXPYHPUSA-N	-2	0	292.272	2.626	20	5		CFBDRL
CC(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])on1	ZINC000089531172	347520718	/nfs/dbraw/zinc/52/07/18/347520718.db2.gz	KYOIHYCRLFRIDQ-UHFFFAOYSA-N	-2	0	291.263	2.664	20	5		CFBDRL
O=[N+]([O-])c1ccc([O-])c([N-]S(=O)(=O)C2=CCCCC2)c1	ZINC000295418261	380841641	/nfs/dbraw/zinc/84/16/41/380841641.db2.gz	XWRVXMPDCWYBHT-UHFFFAOYSA-N	-2	0	298.320	2.500	20	5		CFBDRL
O=[N+]([O-])c1c([O-])cc(O)cc1O[C@@H]1CCCC[C@@H]1F	ZINC001228975266	776674181	/nfs/dbraw/zinc/67/41/81/776674181.db2.gz	YYIZPMJGCNIQQE-WCBMZHEXSA-N	-2	0	271.244	2.666	20	5		CFBDRL