smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc2oc3ccc(Br)cc3cc-2c(=O)[nH]1	ZINC000003159504	364895381	/nfs/dbraw/zinc/89/53/81/364895381.db2.gz	XOVRHBBCSJZTID-UHFFFAOYSA-N	0	2	293.076	1.744	40	5		CDBBLN
CCOC(=O)c1n[nH]c(-c2ccc(O)c([N+](=O)[O-])c2)n1	ZINC000085385984	179047007	/nfs/dbraw/zinc/04/70/07/179047007.db2.gz	BYNXIVUPNSSFQQ-UHFFFAOYSA-N	0	2	278.224	1.262	40	5		CDBBLN
CCOC(=O)n1[nH]c(=O)c2cc([N+](=O)[O-])ccc21	ZINC000072226358	285979502	/nfs/dbraw/zinc/97/95/02/285979502.db2.gz	PZZXOYLHFQSEQP-UHFFFAOYSA-N	0	2	251.198	1.655	40	5		CDBBLN
O=[N+]([O-])c1cc(I)c(O)c(CO)c1	ZINC000008727973	304800954	/nfs/dbraw/zinc/80/09/54/304800954.db2.gz	YWUXHAJOTCDTEM-UHFFFAOYSA-N	0	2	295.032	1.397	40	5		CDBBLN
CCOC(=O)NC(=S)Nc1cn(C)cc1[N+](=O)[O-]	ZINC000005828316	170144474	/nfs/dbraw/zinc/14/44/74/170144474.db2.gz	GJGMTKNJVGVZNG-UHFFFAOYSA-N	0	2	272.286	1.376	40	5		CDBBLN
CCCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O	ZINC000409255626	363991666	/nfs/dbraw/zinc/99/16/66/363991666.db2.gz	ZFYAHRSWEWHMBS-JXMROGBWSA-N	0	2	291.263	1.603	40	5		CDBBLN
Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1C	ZINC000002806219	393206529	/nfs/dbraw/zinc/20/65/29/393206529.db2.gz	SVGQHODQRUCLCL-UHFFFAOYSA-N	0	2	296.308	1.438	40	5		CDBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccncc2)[nH]1	ZINC000409315625	364031892	/nfs/dbraw/zinc/03/18/92/364031892.db2.gz	NXEGYIKSYRJBRH-UPHRSURJSA-N	0	2	260.209	1.361	40	5		CDBBLN
Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000033403734	359002070	/nfs/dbraw/zinc/00/20/70/359002070.db2.gz	AWMOERZTSKVOHN-SREVYHEPSA-N	0	2	273.248	1.863	40	5		CDBBLN
CCCN1C(=O)N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000409221409	363975664	/nfs/dbraw/zinc/97/56/64/363975664.db2.gz	PWWNSVAKONOGHC-RMKNXTFCSA-N	0	2	291.263	1.603	40	5		CDBBLN
C[NH+]1CCN(c2c(Cl)cc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000070462665	290056698	/nfs/dbraw/zinc/05/66/98/290056698.db2.gz	QRAFSYDPSDQMND-UHFFFAOYSA-N	0	2	299.714	1.698	40	5		CDBBLN
CC(C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-])=Cc1ccco1	ZINC000108113516	348741477	/nfs/dbraw/zinc/74/14/77/348741477.db2.gz	VBZQVMNHVSQTAC-AOSYACOCSA-N	0	2	289.247	1.681	40	5		CDBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=CC=Cc2ccco2)[nH]1	ZINC000107842671	348741290	/nfs/dbraw/zinc/74/12/90/348741290.db2.gz	WTPFPSUVWWELGL-NKZTZDQQSA-N	0	2	275.220	1.291	40	5		CDBBLN
O=C([O-])c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCOCC1	ZINC000019845150	170893460	/nfs/dbraw/zinc/89/34/60/170893460.db2.gz	GFYXWLLSCFGFLR-UHFFFAOYSA-N	0	2	295.295	1.037	40	5		CDBBLN
COc1ccc(-c2noc([C@H]3C[C@@H]3[N+](=O)[O-])n2)cn1	ZINC000078774709	177385959	/nfs/dbraw/zinc/38/59/59/177385959.db2.gz	IXIZWWBQHOETSF-YUMQZZPRSA-N	0	2	262.225	1.273	40	5		CDBBLN
COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000033396164	358942707	/nfs/dbraw/zinc/94/27/07/358942707.db2.gz	HLACZWQBYVTMFZ-DAXSKMNVSA-N	0	2	289.247	1.563	40	5		CDBBLN
Cc1csc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000005392757	170093969	/nfs/dbraw/zinc/09/39/69/170093969.db2.gz	BCQPPYKZQMPFQR-UHFFFAOYSA-N	0	2	299.333	1.582	40	5		CDBBLN
CC1=NN(c2ccccc2)C(=O)[C@]12C([N+](=O)[O-])[C@H]2C	ZINC000005370068	170090144	/nfs/dbraw/zinc/09/01/44/170090144.db2.gz	SIWDEOAYYTUWNB-WLTAIBSBSA-N	0	2	259.265	1.691	40	5		CDBBLN
O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])ccc2O)S1	ZINC000003109953	375541119	/nfs/dbraw/zinc/54/11/19/375541119.db2.gz	FORJIIJGVQHUQA-XBXARRHUSA-N	0	2	266.234	1.624	40	5		CDBBLN
COc1ccc(-c2noc([C@@H]3C[C@@H]3[N+](=O)[O-])n2)cn1	ZINC000078774706	177386020	/nfs/dbraw/zinc/38/60/20/177386020.db2.gz	IXIZWWBQHOETSF-SFYZADRCSA-N	0	2	262.225	1.273	40	5		CDBBLN
CN(Cc1[nH+]ccn1C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000079355178	374795858	/nfs/dbraw/zinc/79/58/58/374795858.db2.gz	GTTURJXEKBSKFZ-UHFFFAOYSA-N	0	2	290.279	1.306	40	5		CDBBLN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccnc1	ZINC000036047019	360722552	/nfs/dbraw/zinc/72/25/52/360722552.db2.gz	RGAZWCGMJBFXHZ-UHFFFAOYSA-N	0	2	259.221	1.948	40	5		CDBBLN
O=[N+]([O-])c1cc(Br)c(O)c(-n2cnnc2)c1	ZINC000216752301	356432668	/nfs/dbraw/zinc/43/26/68/356432668.db2.gz	WXTLXYZXISAJGG-UHFFFAOYSA-N	0	2	285.057	1.644	40	5		CDBBLN
O=C([O-])c1ccc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000013079418	374642244	/nfs/dbraw/zinc/64/22/44/374642244.db2.gz	XXIQARNLBQTHCR-UHFFFAOYSA-N	0	2	295.295	1.037	40	5		CDBBLN
CC1=NN(c2ccccc2)C(=O)[C@@]12C([N+](=O)[O-])[C@@H]2C	ZINC000248051304	334294110	/nfs/dbraw/zinc/29/41/10/334294110.db2.gz	SIWDEOAYYTUWNB-RLCGTCKNSA-N	0	2	259.265	1.691	40	5		CDBBLN
CC(=O)O[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001571159	369338099	/nfs/dbraw/zinc/33/80/99/369338099.db2.gz	IZCQFYTXKWWSMP-SCSAIBSYSA-N	0	2	250.465	1.565	40	5		CDBBLN
Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000003159199	375563295	/nfs/dbraw/zinc/56/32/95/375563295.db2.gz	AFYZOKKPCCRBSL-UHFFFAOYSA-N	0	2	299.333	1.582	40	5		CDBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2)[nH]1	ZINC000017039776	367012648	/nfs/dbraw/zinc/01/26/48/367012648.db2.gz	ITFUSTYTUCGMEV-SREVYHEPSA-N	0	2	259.221	1.554	40	5		CDBBLN
CCN1C(=O)N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000409251501	363995877	/nfs/dbraw/zinc/99/58/77/363995877.db2.gz	PEVRLGORDVRRLT-VMPITWQZSA-N	0	2	277.236	1.213	40	5		CDBBLN
CC(C)[C@H]([NH3+])c1nnc(COc2cccc([N+](=O)[O-])c2)[nH]1	ZINC000095534774	390612149	/nfs/dbraw/zinc/61/21/49/390612149.db2.gz	FLYVGLRWAQREQR-LBPRGKRZSA-N	0	2	291.311	1.948	40	5		CDBBLN
N=C1NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2O)S1	ZINC000005005541	303232372	/nfs/dbraw/zinc/23/23/72/303232372.db2.gz	BGQSPOWRXISVCB-QPJJXVBHSA-N	0	2	265.250	1.439	40	5		CDBBLN
COc1c(O)cc(Br)c(C=O)c1[N+](=O)[O-]	ZINC000001621358	391093674	/nfs/dbraw/zinc/09/36/74/391093674.db2.gz	VWVFLPUKZSZXSM-UHFFFAOYSA-N	0	2	276.042	1.884	40	5		CDBBLN
O=Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000004402210	356334744	/nfs/dbraw/zinc/33/47/44/356334744.db2.gz	GLGWORSQFJEREQ-AATRIKPKSA-N	0	2	287.231	1.367	40	5		CDBBLN
C[C@H](O)CCO[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001557947	230366904	/nfs/dbraw/zinc/36/69/04/230366904.db2.gz	CXYZURRQMHSMIT-NTSWFWBYSA-N	0	2	280.535	1.789	40	5		CDBBLN
CC1=NN(c2ccccc2)C(=O)[C@]12C([N+](=O)[O-])[C@@H]2C	ZINC000005377152	170091217	/nfs/dbraw/zinc/09/12/17/170091217.db2.gz	SIWDEOAYYTUWNB-KDDOJWQBSA-N	0	2	259.265	1.691	40	5		CDBBLN
CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(O)cc2O)C1=O	ZINC000408812797	289856055	/nfs/dbraw/zinc/85/60/55/289856055.db2.gz	BWVCHXTUUKKDTA-OQFOIZHKSA-N	0	2	296.260	1.672	40	5		CDBBLN
COc1ccc(-c2noc([C@H]3C[C@H]3[N+](=O)[O-])n2)cn1	ZINC000078774713	177385717	/nfs/dbraw/zinc/38/57/17/177385717.db2.gz	IXIZWWBQHOETSF-JGVFFNPUSA-N	0	2	262.225	1.273	40	5		CDBBLN
Cc1cnn(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000036611185	362202327	/nfs/dbraw/zinc/20/23/27/362202327.db2.gz	BRWLAVYJYOSYTF-UHFFFAOYSA-N	0	2	290.279	1.834	40	5		CDBBLN
CC(C)CCC(CC[N+](C)(C)C)(C(=O)[O-])C(=O)O	ZINC000001760361	517413667	/nfs/dbraw/zinc/41/36/67/517413667.db2.gz	KBBUBKRMSIRBIP-UHFFFAOYSA-O	0	2	260.354	1.675	40	5		CDBBLN
O=[N+]([O-])C[C@@H](OCCCCO)C(Cl)(Cl)Cl	ZINC000002031762	360372273	/nfs/dbraw/zinc/37/22/73/360372273.db2.gz	GSBRMHMSHHQZSN-ZCFIWIBFSA-N	0	2	280.535	1.791	40	5		CDBBLN
COc1cc([N+](=O)[O-])c(Br)c(C=O)c1O	ZINC000002566094	295026651	/nfs/dbraw/zinc/02/66/51/295026651.db2.gz	GVGPCXQPEWSGGZ-UHFFFAOYSA-N	0	2	276.042	1.884	40	5		CDBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc([N+](=O)[O-])o2)[nH]1	ZINC000034881424	348739613	/nfs/dbraw/zinc/73/96/13/348739613.db2.gz	PZTMVAGZPGJDRY-HNQUOIGGSA-N	0	2	294.179	1.055	40	5		CDBBLN
CN1C(=O)N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O	ZINC000409194559	360193597	/nfs/dbraw/zinc/19/35/97/360193597.db2.gz	PRBPCAYYAUMLOT-XVNBXDOJSA-N	0	2	297.654	1.476	40	5		CDBBLN
COc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cn1	ZINC000078774711	177385986	/nfs/dbraw/zinc/38/59/86/177385986.db2.gz	IXIZWWBQHOETSF-HTQZYQBOSA-N	0	2	262.225	1.273	40	5		CDBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(O)c2)[nH]1	ZINC000343042838	152008886	/nfs/dbraw/zinc/00/88/86/152008886.db2.gz	YFMWRWWIKISZCG-PLNGDYQASA-N	0	2	275.220	1.672	40	5		CDBBLN
Cc1cccnc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005260217	390947652	/nfs/dbraw/zinc/94/76/52/390947652.db2.gz	PKMZZCBVHNMTDU-UHFFFAOYSA-N	0	2	293.304	1.521	40	5		CDBBLN
CCOC(=O)CN1CC([N+](=O)[O-])c2ccccc21	ZINC000098175534	358759954	/nfs/dbraw/zinc/75/99/54/358759954.db2.gz	OUXUEROZNHBNBZ-NSHDSACASA-N	0	2	250.254	1.388	40	5		CDBBLN
CCOC(=O)CN1C[C@H]([N+](=O)[O-])c2ccccc21	ZINC000098175534	358759958	/nfs/dbraw/zinc/75/99/58/358759958.db2.gz	OUXUEROZNHBNBZ-NSHDSACASA-N	0	2	250.254	1.388	40	5		CDBBLN
CC(C)C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	ZINC000036532275	260037231	/nfs/dbraw/zinc/03/72/31/260037231.db2.gz	NPBBARHFODOHKL-UHFFFAOYSA-N	0	2	283.309	1.769	40	5		CDBBLN
Nc1nc(=NNc2ccc([N+](=O)[O-])cc2)[nH]cc1F	ZINC000408722735	260029144	/nfs/dbraw/zinc/02/91/44/260029144.db2.gz	WQXJUTGMQXZKKG-UHFFFAOYSA-N	0	2	264.220	1.375	40	5		CDBBLN
CCOC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	ZINC000036712365	362844822	/nfs/dbraw/zinc/84/48/22/362844822.db2.gz	DFDSFNPWZMDNOR-UHFFFAOYSA-N	0	2	285.281	1.743	40	5		CDBBLN
CC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	ZINC000036532249	362180605	/nfs/dbraw/zinc/18/06/05/362180605.db2.gz	JRNOYWVSPLDTCN-UHFFFAOYSA-N	0	2	255.255	1.133	40	5		CDBBLN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccn2)c1	ZINC000003900341	375809775	/nfs/dbraw/zinc/80/97/75/375809775.db2.gz	AQGKUVNMQYSMHP-UHFFFAOYSA-N	0	2	279.277	1.213	40	5		CDBBLN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccncc2)s1	ZINC000078554410	177353950	/nfs/dbraw/zinc/35/39/50/177353950.db2.gz	BAUUQBNCELOOEY-UHFFFAOYSA-N	0	2	285.306	1.852	40	5		CDBBLN
O=C1NC(=O)C(=Cc2cccc([N+](=O)[O-])c2O)S1	ZINC000003029911	375511576	/nfs/dbraw/zinc/51/15/76/375511576.db2.gz	XGYPLQYDIPBIBU-QPJJXVBHSA-N	0	2	266.234	1.624	40	5		CDBBLN
CCOC(=O)CN1CC([N+](=O)[O-])c2ccccc21	ZINC000098175535	358753732	/nfs/dbraw/zinc/75/37/32/358753732.db2.gz	OUXUEROZNHBNBZ-LLVKDONJSA-N	0	2	250.254	1.388	40	5		CDBBLN
CCOC(=O)CN1C[C@@H]([N+](=O)[O-])c2ccccc21	ZINC000098175535	358753740	/nfs/dbraw/zinc/75/37/40/358753740.db2.gz	OUXUEROZNHBNBZ-LLVKDONJSA-N	0	2	250.254	1.388	40	5		CDBBLN
C[C@@H](O)CCO[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001557946	533626685	/nfs/dbraw/zinc/62/66/85/533626685.db2.gz	CXYZURRQMHSMIT-RITPCOANSA-N	0	2	280.535	1.789	40	5		CDBBLN
Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])o1	ZINC000409313469	364028433	/nfs/dbraw/zinc/02/84/33/364028433.db2.gz	CBLOVOPKSQFKBS-PLNGDYQASA-N	0	2	263.209	1.868	40	5		CDBBLN
CC1=C(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCO1	ZINC000044790201	175254194	/nfs/dbraw/zinc/25/41/94/175254194.db2.gz	JDBZVLXMWFXHPY-UHFFFAOYSA-N	0	2	264.237	1.933	40	5		CDBBLN
Cc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000004951248	170044875	/nfs/dbraw/zinc/04/48/75/170044875.db2.gz	QTJPTPSARYIGEG-UHFFFAOYSA-N	0	2	299.333	1.582	40	5		CDBBLN
COC(=O)c1cc(=O)c2c(ccc3oc(=O)ccc32)[nH]1	ZINC000005386985	291995487	/nfs/dbraw/zinc/99/54/87/291995487.db2.gz	KZCKCTCVCKQAJF-UHFFFAOYSA-N	0	2	271.228	1.421	40	5		CDBBLN
CC1=NN(c2ccccc2)C(=O)[C@@]12C([N+](=O)[O-])[C@@H]2C	ZINC000221836170	358087120	/nfs/dbraw/zinc/08/71/20/358087120.db2.gz	SIWDEOAYYTUWNB-LJUAHTATSA-N	0	2	259.265	1.691	40	5		CDBBLN
O=C1NC(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)N1	ZINC000409048685	360150310	/nfs/dbraw/zinc/15/03/10/360150310.db2.gz	UNIYAPJOOFVFRY-QHHAFSJGSA-N	0	2	283.627	1.134	40	5		CDBBLN
CC(=O)O[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000002046400	360533119	/nfs/dbraw/zinc/53/31/19/360533119.db2.gz	IZCQFYTXKWWSMP-BYPYZUCNSA-N	0	2	250.465	1.565	40	5		CDBBLN
CC1=NN(c2ccccc2)C(=O)[C@]12C([N+](=O)[O-])[C@H]2C	ZINC000005370110	170089942	/nfs/dbraw/zinc/08/99/42/170089942.db2.gz	SIWDEOAYYTUWNB-DYLAAIIWSA-N	0	2	259.265	1.691	40	5		CDBBLN
CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000016188904	367685966	/nfs/dbraw/zinc/68/59/66/367685966.db2.gz	CIQJANBBLHBHSL-UITAMQMPSA-N	0	2	280.261	1.967	40	5		CDBBLN
CC1=NN(c2ccccc2)C(=O)[C@]12C([N+](=O)[O-])[C@@H]2C	ZINC000005377095	170091267	/nfs/dbraw/zinc/09/12/67/170091267.db2.gz	SIWDEOAYYTUWNB-QWRKXWFKSA-N	0	2	259.265	1.691	40	5		CDBBLN
CC(=O)NC1=N/C(=C\c2cc([N+](=O)[O-])ccc2O)CN1C	ZINC000104301216	278086588	/nfs/dbraw/zinc/08/65/88/278086588.db2.gz	OVTDIDJXXXQFFO-YHYXMXQVSA-N	0	2	290.279	1.079	40	5		CDBBLN
O=[N+]([O-])C[C@H](OCCCCO)C(Cl)(Cl)Cl	ZINC000001557949	534878102	/nfs/dbraw/zinc/87/81/02/534878102.db2.gz	GSBRMHMSHHQZSN-LURJTMIESA-N	0	2	280.535	1.791	40	5		CDBBLN
CCCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	ZINC000034942290	364207150	/nfs/dbraw/zinc/20/71/50/364207150.db2.gz	AKLUFIBVEPVTIV-UHFFFAOYSA-N	0	2	283.309	1.914	40	5		CDBBLN
CCOC(=O)c1n[nH]c(-c2cc([N+](=O)[O-])ccc2O)n1	ZINC000085385996	390638929	/nfs/dbraw/zinc/63/89/29/390638929.db2.gz	DRYJCTMKMNFFNF-UHFFFAOYSA-N	0	2	278.224	1.262	40	5		CDBBLN
C[C@@H](O)CCO[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001557948	533627030	/nfs/dbraw/zinc/62/70/30/533627030.db2.gz	CXYZURRQMHSMIT-PHDIDXHHSA-N	0	2	280.535	1.789	40	5		CDBBLN
CCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	ZINC000035272595	172092829	/nfs/dbraw/zinc/09/28/29/172092829.db2.gz	QFWLHNJOYPLBBJ-UHFFFAOYSA-N	0	2	269.282	1.523	40	5		CDBBLN
C[C@H](O)CCO[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl	ZINC000001557945	230366916	/nfs/dbraw/zinc/36/69/16/230366916.db2.gz	CXYZURRQMHSMIT-WDSKDSINSA-N	0	2	280.535	1.789	40	5		CDBBLN
CCCN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O	ZINC000409223333	363976602	/nfs/dbraw/zinc/97/66/02/363976602.db2.gz	FHEHIKVXOPIVAG-VQHVLOKHSA-N	0	2	291.263	1.603	40	5		CDBBLN
CC1=NN(c2ccccc2)C(=O)[C@@]12C([N+](=O)[O-])[C@H]2C	ZINC000248051310	334294006	/nfs/dbraw/zinc/29/40/06/334294006.db2.gz	SIWDEOAYYTUWNB-XTWCZFFVSA-N	0	2	259.265	1.691	40	5		CDBBLN
CC1=NN(c2ccccc2)C(=O)[C@@]12C([N+](=O)[O-])[C@H]2C	ZINC000221836229	358087590	/nfs/dbraw/zinc/08/75/90/358087590.db2.gz	SIWDEOAYYTUWNB-YDEJPDAXSA-N	0	2	259.265	1.691	40	5		CDBBLN
Cc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000000347034	301464834	/nfs/dbraw/zinc/46/48/34/301464834.db2.gz	RYVNZSAQLDRNPR-UHFFFAOYSA-N	0	2	293.304	1.521	40	5		CDBBLN