smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC1(C)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1	ZINC000225801109	189765134	/nfs/dbraw/zinc/76/51/34/189765134.db2.gz	CJIGQIKHEWQRFM-UHFFFAOYSA-N	-1	2	292.335	2.953	20	5		CFBDLM
CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1	ZINC000338992802	383110316	/nfs/dbraw/zinc/11/03/16/383110316.db2.gz	OLPCDCFDCGVSAE-UHFFFAOYSA-N	-1	2	250.298	2.532	20	5		CFBDLM
O=C([O-])c1ccnc(/C=C\c2ccc([N+](=O)[O-])c(O)c2)c1	ZINC000340592089	304273005	/nfs/dbraw/zinc/27/30/05/304273005.db2.gz	DZNMZRDJKJTUOY-IWQZZHSRSA-N	-1	2	286.243	2.564	20	5		CFBDLM
O=C([O-])c1cnc(/C=C\c2ccc(O)c([N+](=O)[O-])c2)s1	ZINC000436978667	394040594	/nfs/dbraw/zinc/04/05/94/394040594.db2.gz	ISTXLVPSMDFWNP-RQOWECAXSA-N	-1	2	292.272	2.626	20	5		CFBDLM
O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC12CCC2	ZINC000339130694	383160153	/nfs/dbraw/zinc/16/01/53/383160153.db2.gz	ZTEFROPBAYHBAJ-UHFFFAOYSA-N	-1	2	262.309	2.819	20	5		CFBDLM
O=C([O-])c1ccc(/C=C/c2cc(O)ccc2[N+](=O)[O-])nc1	ZINC000833311701	604773203	/nfs/dbraw/zinc/77/32/03/604773203.db2.gz	BBXZKCIIBSMLTL-HNQUOIGGSA-N	-1	2	286.243	2.564	20	5		CFBDLM
O=C([O-])c1ccnc(/C=C/c2ccc(O)c([N+](=O)[O-])c2)c1	ZINC000436813849	394023899	/nfs/dbraw/zinc/02/38/99/394023899.db2.gz	GJMOZCNQGACLNI-HNQUOIGGSA-N	-1	2	286.243	2.564	20	5		CFBDLM
COc1cc(C[NH2+]Cc2ccc(C)o2)c([N+](=O)[O-])cc1O	ZINC000601151770	350683107	/nfs/dbraw/zinc/68/31/07/350683107.db2.gz	DRROOZPHQXTESS-UHFFFAOYSA-N	-1	2	292.291	2.500	20	5		CFBDLM
C[C@@H](C1CCC1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000339064570	383137423	/nfs/dbraw/zinc/13/74/23/383137423.db2.gz	MRTRNIOTNLIQES-JTQLQIEISA-N	-1	2	264.325	2.921	20	5		CFBDLM
O=C([O-])c1ccnc(/C=C\c2ccc(O)c([N+](=O)[O-])c2)c1	ZINC000436813852	304272839	/nfs/dbraw/zinc/27/28/39/304272839.db2.gz	GJMOZCNQGACLNI-IWQZZHSRSA-N	-1	2	286.243	2.564	20	5		CFBDLM
O=C([O-])c1cnc(/C=C/c2ccc(O)c([N+](=O)[O-])c2)s1	ZINC000436978663	394040295	/nfs/dbraw/zinc/04/02/95/394040295.db2.gz	ISTXLVPSMDFWNP-DUXPYHPUSA-N	-1	2	292.272	2.626	20	5		CFBDLM
O=C([O-])c1ccnc(/C=C/c2cc(O)ccc2[N+](=O)[O-])c1	ZINC000340590033	526400003	/nfs/dbraw/zinc/40/00/03/526400003.db2.gz	JDNAWOGZFUVVMR-OWOJBTEDSA-N	-1	2	286.243	2.564	20	5		CFBDLM
O=C([O-])c1cnc(/C=C\c2ccc([N+](=O)[O-])c(O)c2)s1	ZINC000338618188	304275233	/nfs/dbraw/zinc/27/52/33/304275233.db2.gz	PONTXVQUSXYJCH-RQOWECAXSA-N	-1	2	292.272	2.626	20	5		CFBDLM
O=C([O-])c1ccnc(/C=C/c2ccc([N+](=O)[O-])c(O)c2)c1	ZINC000340592088	383481845	/nfs/dbraw/zinc/48/18/45/383481845.db2.gz	DZNMZRDJKJTUOY-HNQUOIGGSA-N	-1	2	286.243	2.564	20	5		CFBDLM
CC[C@H](C)[N@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000595601420	349670812	/nfs/dbraw/zinc/67/08/12/349670812.db2.gz	RLIHDLCOWFDLEC-JTQLQIEISA-N	-1	2	252.314	2.921	20	5		CFBDLM
O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ncccc1O)C1CC1	ZINC000567311645	383261532	/nfs/dbraw/zinc/26/15/32/383261532.db2.gz	NAQVEBPKZGFDSI-UHFFFAOYSA-N	-1	2	299.330	2.860	20	5		CFBDLM
CC[N@H+](CCC1CC1)Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000339092808	383146128	/nfs/dbraw/zinc/14/61/28/383146128.db2.gz	CTHPBTOFBDJHTQ-UHFFFAOYSA-N	-1	2	264.325	2.922	20	5		CFBDLM
C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1Cc2ccccc2C1	ZINC000340277027	383400243	/nfs/dbraw/zinc/40/02/43/383400243.db2.gz	FZCLPVCUFCHGMU-UHFFFAOYSA-N	-1	2	298.342	2.900	20	5		CFBDLM
O=C([O-])c1cnc(/C=C/c2cc(O)ccc2[N+](=O)[O-])s1	ZINC000448117217	383046004	/nfs/dbraw/zinc/04/60/04/383046004.db2.gz	WKARWMQYLVPKCS-DAFODLJHSA-N	-1	2	292.272	2.626	20	5		CFBDLM
O=C([O-])c1cnc(/C=C/c2ccc([N+](=O)[O-])c(O)c2)s1	ZINC000338618187	526402919	/nfs/dbraw/zinc/40/29/19/526402919.db2.gz	PONTXVQUSXYJCH-DUXPYHPUSA-N	-1	2	292.272	2.626	20	5		CFBDLM
O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2	ZINC000599553378	350455046	/nfs/dbraw/zinc/45/50/46/350455046.db2.gz	ROSNOWYSBRWYOR-OLZOCXBDSA-N	-1	2	294.376	2.770	20	5		CFBDLM
CC[C@@H](C)[N@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000595601422	349670906	/nfs/dbraw/zinc/67/09/06/349670906.db2.gz	RLIHDLCOWFDLEC-SNVBAGLBSA-N	-1	2	252.314	2.921	20	5		CFBDLM
O=[N+]([O-])c1ccc([O-])c(NS(=O)(=O)C2=CCCCC2)c1	ZINC000295418261	380841661	/nfs/dbraw/zinc/84/16/61/380841661.db2.gz	XWRVXMPDCWYBHT-UHFFFAOYSA-N	-1	2	298.320	2.500	20	5		CFBDLM
CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)C	ZINC000338907587	383081956	/nfs/dbraw/zinc/08/19/56/383081956.db2.gz	ZMMUTDYZTHNFBR-UHFFFAOYSA-N	-1	2	252.314	2.778	20	5		CFBDLM