smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)n1	ZINC000030755223	556372807	/nfs/dbraw/zinc/37/28/07/556372807.db2.gz	RXJHFLPIVIUKPM-UHFFFAOYSA-N	0	2	463.497	2.603	40	5		JFBBLN
CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000108060595	569858458	/nfs/dbraw/zinc/85/84/58/569858458.db2.gz	QDRVMPOHWNUJOM-YCRREMRBSA-N	0	2	468.378	2.668	40	5		JFBBLN
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cc(Cl)ccc1Cl	ZINC000138597343	569865993	/nfs/dbraw/zinc/86/59/93/569865993.db2.gz	PIDQKYOEBBCUFV-NSHDSACASA-N	0	2	495.275	2.577	40	5		JFBBLN
C[C@@H](OC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)C(=O)c1ccc(Cl)cc1	ZINC000408637629	569987543	/nfs/dbraw/zinc/98/75/43/569987543.db2.gz	MAVZOPZLFZJIEF-OCCSQVGLSA-N	0	2	459.842	2.556	40	5		JFBBLN
Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)cc1	ZINC000409127436	570138694	/nfs/dbraw/zinc/13/86/94/570138694.db2.gz	HMFNPYCHEYOMCU-CYBMUJFWSA-N	0	2	470.511	2.959	40	5		JFBBLN
C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1C	ZINC000409128295	570139100	/nfs/dbraw/zinc/13/91/00/570139100.db2.gz	HYINVJKTKLFWGD-LBPRGKRZSA-N	0	2	456.484	2.651	40	5		JFBBLN
Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)c1	ZINC000409140754	570144478	/nfs/dbraw/zinc/14/44/78/570144478.db2.gz	IJVPUVIRWNSCDH-ZDUSSCGKSA-N	0	2	470.511	2.959	40	5		JFBBLN
O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCCO2	ZINC000409196250	570163576	/nfs/dbraw/zinc/16/35/76/570163576.db2.gz	UXDJESLVGICTBW-CAOOACKPSA-N	0	2	457.420	2.747	40	5		JFBBLN
COc1cc(Br)c([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC	ZINC000408565161	570203192	/nfs/dbraw/zinc/20/31/92/570203192.db2.gz	IDUGVWCVBRZUPC-UOXRKKOCSA-N	0	2	462.300	2.988	40	5		JFBBLN
COc1cc(Br)c([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1OC	ZINC000408565161	570203193	/nfs/dbraw/zinc/20/31/93/570203193.db2.gz	IDUGVWCVBRZUPC-UOXRKKOCSA-N	0	2	462.300	2.988	40	5		JFBBLN
COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OC	ZINC000408566387	570203699	/nfs/dbraw/zinc/20/36/99/570203699.db2.gz	NSZOMBDMFCWFTE-FOPRYUNUSA-N	0	2	462.300	2.988	40	5		JFBBLN
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000030861035	556381558	/nfs/dbraw/zinc/38/15/58/556381558.db2.gz	NOTOSMRMUUQHRG-UHFFFAOYSA-N	0	2	469.541	2.720	40	5		JFBBLN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000059600159	569607220	/nfs/dbraw/zinc/60/72/20/569607220.db2.gz	BAJXDKDYUMXQMQ-OLROSQPISA-N	0	2	483.477	2.551	40	5		JFBBLN
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Cl)c(Cl)c1	ZINC000408658287	569998806	/nfs/dbraw/zinc/99/88/06/569998806.db2.gz	QNXWESNBHHNXER-NSHDSACASA-N	0	2	495.275	2.577	40	5		JFBBLN
CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(I)c1OC	ZINC000409313446	570199626	/nfs/dbraw/zinc/19/96/26/570199626.db2.gz	ORAOCFMRUFPPKA-PLNGDYQASA-N	0	2	459.196	2.978	40	5		JFBBLN
COc1cc(Br)c([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC	ZINC000408565159	570203172	/nfs/dbraw/zinc/20/31/72/570203172.db2.gz	IDUGVWCVBRZUPC-GCKAQTDUSA-N	0	2	462.300	2.988	40	5		JFBBLN
COc1cc(Br)c([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1OC	ZINC000408565159	570203174	/nfs/dbraw/zinc/20/31/74/570203174.db2.gz	IDUGVWCVBRZUPC-GCKAQTDUSA-N	0	2	462.300	2.988	40	5		JFBBLN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000014397103	555802869	/nfs/dbraw/zinc/80/28/69/555802869.db2.gz	HGURJZMPZFFHLS-UHFFFAOYSA-N	0	2	454.511	2.961	40	5		JFBBLN
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)N(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000111403665	569860952	/nfs/dbraw/zinc/86/09/52/569860952.db2.gz	DYPVFKXVTXSSTH-KRWDZBQOSA-N	0	2	487.341	2.877	40	5		JFBBLN
C[C@H](OC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)C(=O)c1ccc(Cl)cc1	ZINC000408637628	569987566	/nfs/dbraw/zinc/98/75/66/569987566.db2.gz	MAVZOPZLFZJIEF-JSGCOSHPSA-N	0	2	459.842	2.556	40	5		JFBBLN
O=C([O-])CNc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1	ZINC000328997787	570180968	/nfs/dbraw/zinc/18/09/68/570180968.db2.gz	JPFHPIYCDKQGES-UHFFFAOYSA-N	0	2	463.372	2.903	40	5		JFBBLN
COc1cc(Br)c(Br)c(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1O	ZINC000033795379	569635389	/nfs/dbraw/zinc/63/53/89/569635389.db2.gz	LQQNCMDRCJMYFJ-NSCUHMNNSA-N	0	2	463.038	2.793	40	5		JFBBLN
COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000105665983	569853278	/nfs/dbraw/zinc/85/32/78/569853278.db2.gz	PDEARGOFYXPCOC-GORDUTHDSA-N	0	2	471.338	2.759	40	5		JFBBLN
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc(Cl)c1Cl	ZINC000408662055	570001450	/nfs/dbraw/zinc/00/14/50/570001450.db2.gz	WXBRNMNETGBQIP-LLVKDONJSA-N	0	2	495.275	2.577	40	5		JFBBLN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000408782191	570042089	/nfs/dbraw/zinc/04/20/89/570042089.db2.gz	WPEFCDXXMWXMHC-ZMUHTPIZSA-N	0	2	483.477	2.551	40	5		JFBBLN
CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000409151948	570149400	/nfs/dbraw/zinc/14/94/00/570149400.db2.gz	IGJXDFMGUHOMAH-UHFFFAOYSA-N	0	2	470.511	2.881	40	5		JFBBLN
COc1cc(Br)c([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC	ZINC000408565158	570203247	/nfs/dbraw/zinc/20/32/47/570203247.db2.gz	IDUGVWCVBRZUPC-FOPRYUNUSA-N	0	2	462.300	2.988	40	5		JFBBLN
COc1cc(Br)c([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1OC	ZINC000408565158	570203249	/nfs/dbraw/zinc/20/32/49/570203249.db2.gz	IDUGVWCVBRZUPC-FOPRYUNUSA-N	0	2	462.300	2.988	40	5		JFBBLN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000059600155	569607130	/nfs/dbraw/zinc/60/71/30/569607130.db2.gz	BAJXDKDYUMXQMQ-ZMUHTPIZSA-N	0	2	483.477	2.551	40	5		JFBBLN
O=C(CN1C(=O)N/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1	ZINC000408961729	570086160	/nfs/dbraw/zinc/08/61/60/570086160.db2.gz	DQIKDQHVXNKUHO-QPEQYQDCSA-N	0	2	461.228	2.594	40	5		JFBBLN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(Br)c(Br)c1O	ZINC000016194693	521943239	/nfs/dbraw/zinc/94/32/39/521943239.db2.gz	UYZWFGDPQVOUIE-NSCUHMNNSA-N	0	2	463.038	2.793	40	5		JFBBLN
O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000002732514	554316680	/nfs/dbraw/zinc/31/66/80/554316680.db2.gz	MFWUEGUDJXUKIK-UHFFFAOYSA-N	0	2	456.893	2.731	40	5		JFBBLN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000013948333	555658586	/nfs/dbraw/zinc/65/85/86/555658586.db2.gz	BNUHRSGPKHAQRW-UHFFFAOYSA-N	0	2	463.497	2.603	40	5		JFBBLN
CCOc1c(I)cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000409314800	570200030	/nfs/dbraw/zinc/20/00/30/570200030.db2.gz	SNMDOUMZQHKHCV-PLNGDYQASA-N	0	2	459.196	2.978	40	5		JFBBLN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1	ZINC000013948319	555658651	/nfs/dbraw/zinc/65/86/51/555658651.db2.gz	YTKWJIZCRKMYEP-UHFFFAOYSA-N	0	2	463.497	2.603	40	5		JFBBLN
O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1	ZINC000037345756	569783264	/nfs/dbraw/zinc/78/32/64/569783264.db2.gz	NJKCBVHSALEFJG-CPNJWEJPSA-N	0	2	468.491	2.686	40	5		JFBBLN
C[C@@H](OC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)C(=O)c1ccc(Cl)cc1	ZINC000408637630	569987556	/nfs/dbraw/zinc/98/75/56/569987556.db2.gz	MAVZOPZLFZJIEF-TZMCWYRMSA-N	0	2	459.842	2.556	40	5		JFBBLN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000408832970	570052954	/nfs/dbraw/zinc/05/29/54/570052954.db2.gz	SIPDDZZSNLDGNX-PRWBYUBPSA-N	0	2	479.514	2.721	40	5		JFBBLN
Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)cc1	ZINC000409127440	570138682	/nfs/dbraw/zinc/13/86/82/570138682.db2.gz	HMFNPYCHEYOMCU-ZDUSSCGKSA-N	0	2	470.511	2.959	40	5		JFBBLN
C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1C	ZINC000409128291	570138989	/nfs/dbraw/zinc/13/89/89/570138989.db2.gz	HYINVJKTKLFWGD-GFCCVEGCSA-N	0	2	456.484	2.651	40	5		JFBBLN
Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)c1	ZINC000409140752	570144455	/nfs/dbraw/zinc/14/44/55/570144455.db2.gz	IJVPUVIRWNSCDH-CYBMUJFWSA-N	0	2	470.511	2.959	40	5		JFBBLN
O=C([O-])CNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1	ZINC000329031745	570182373	/nfs/dbraw/zinc/18/23/73/570182373.db2.gz	QKVLCLHMEKCIPK-UHFFFAOYSA-N	0	2	463.372	2.903	40	5		JFBBLN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O	ZINC000409296852	570195599	/nfs/dbraw/zinc/19/55/99/570195599.db2.gz	RTUOWDCZYDFEME-OYRHEFFESA-N	0	2	490.424	2.928	40	5		JFBBLN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1	ZINC000016123875	524591961	/nfs/dbraw/zinc/59/19/61/524591961.db2.gz	HVAJWPCUIYOUEH-UHFFFAOYSA-N	0	2	477.524	2.912	40	5		JFBBLN
O=c1/c(=C/c2cc(Br)cc([N+](=O)[O-])c2O)sc2nc3cc(Br)cnc3n12	ZINC000408720633	570026502	/nfs/dbraw/zinc/02/65/02/570026502.db2.gz	ARLZWFNNCXTGGZ-FUQNDXKWSA-N	0	2	498.112	2.991	40	5		JFBBLN
O=C([O-])CNc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)[nH+]1	ZINC000329036973	570182644	/nfs/dbraw/zinc/18/26/44/570182644.db2.gz	RLKRFTPAFQNBKC-UHFFFAOYSA-N	0	2	463.372	2.903	40	5		JFBBLN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000409318981	570200736	/nfs/dbraw/zinc/20/07/36/570200736.db2.gz	ZFULORNYFWGGBQ-FNORWQNLSA-N	0	2	483.393	2.901	40	5		JFBBLN
CCOC(=O)C(Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCCCC1)(C(=O)OCC)N1CCCCC1	ZINC000031792584	556404774	/nfs/dbraw/zinc/40/47/74/556404774.db2.gz	HNKUKZMBJVPUPY-UHFFFAOYSA-N	0	2	490.557	2.941	40	5		JFBBLN
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Cl)cc1Cl	ZINC000408651768	569994523	/nfs/dbraw/zinc/99/45/23/569994523.db2.gz	DUUBFIOCNOLRHA-LLVKDONJSA-N	0	2	495.275	2.577	40	5		JFBBLN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000408782186	570042096	/nfs/dbraw/zinc/04/20/96/570042096.db2.gz	WPEFCDXXMWXMHC-OLROSQPISA-N	0	2	483.477	2.551	40	5		JFBBLN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000408832974	570052894	/nfs/dbraw/zinc/05/28/94/570052894.db2.gz	SIPDDZZSNLDGNX-SRKIZSPNSA-N	0	2	479.514	2.721	40	5		JFBBLN
O=C(O[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409304995	570197768	/nfs/dbraw/zinc/19/77/68/570197768.db2.gz	LIKMFKVPVZCHLY-BGYRXZFFSA-N	0	2	460.398	2.919	40	5		JFBBLN
COc1cc(Br)c([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC	ZINC000408565160	570203151	/nfs/dbraw/zinc/20/31/51/570203151.db2.gz	IDUGVWCVBRZUPC-OPURJYLOSA-N	0	2	462.300	2.988	40	5		JFBBLN
COc1cc(Br)c([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1OC	ZINC000408565160	570203152	/nfs/dbraw/zinc/20/31/52/570203152.db2.gz	IDUGVWCVBRZUPC-OPURJYLOSA-N	0	2	462.300	2.988	40	5		JFBBLN
COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OC	ZINC000408566393	570203758	/nfs/dbraw/zinc/20/37/58/570203758.db2.gz	NSZOMBDMFCWFTE-OPURJYLOSA-N	0	2	462.300	2.988	40	5		JFBBLN
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1	ZINC000019933006	555550343	/nfs/dbraw/zinc/55/03/43/555550343.db2.gz	RMNBUYVADZUXAK-UHFFFAOYSA-N	0	2	454.511	2.794	40	5		JFBBLN
O=c1nc2n(-c3ccc(I)cc3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1	ZINC000059497772	569606086	/nfs/dbraw/zinc/60/60/86/569606086.db2.gz	LKWJCKAOTRVWNW-UHFFFAOYSA-N	0	2	460.187	2.692	40	5		JFBBLN
Cc1ccc(S(=O)(=O)Oc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000409321475	570201287	/nfs/dbraw/zinc/20/12/87/570201287.db2.gz	GNXVFMVKWWZRAQ-WEVVVXLNSA-N	0	2	474.407	2.951	40	5		JFBBLN
CCOC(=O)COc1c(Br)cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000409325234	570201950	/nfs/dbraw/zinc/20/19/50/570201950.db2.gz	YCHNUTPFACPLOY-SNAWJCMRSA-N	0	2	470.232	2.679	40	5		JFBBLN
COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OC	ZINC000408566394	570203783	/nfs/dbraw/zinc/20/37/83/570203783.db2.gz	NSZOMBDMFCWFTE-UOXRKKOCSA-N	0	2	462.300	2.988	40	5		JFBBLN
C[C@H](OC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)C(=O)c1ccc(Cl)cc1	ZINC000408637627	569987507	/nfs/dbraw/zinc/98/75/07/569987507.db2.gz	MAVZOPZLFZJIEF-GXTWGEPZSA-N	0	2	459.842	2.556	40	5		JFBBLN
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Cl)cc1Cl	ZINC000408651769	569994516	/nfs/dbraw/zinc/99/45/16/569994516.db2.gz	DUUBFIOCNOLRHA-NSHDSACASA-N	0	2	495.275	2.577	40	5		JFBBLN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000409326679	570202289	/nfs/dbraw/zinc/20/22/89/570202289.db2.gz	NAZAPHRVYIBDBJ-SOFGYWHQSA-N	0	2	490.406	2.651	40	5		JFBBLN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)n1	ZINC000016123814	524592976	/nfs/dbraw/zinc/59/29/76/524592976.db2.gz	IXPPKOHVOHBCGE-UHFFFAOYSA-N	0	2	477.524	2.912	40	5		JFBBLN
Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1	ZINC000020112417	555649870	/nfs/dbraw/zinc/64/98/70/555649870.db2.gz	BJBDOQKMKILMBE-UHFFFAOYSA-N	0	2	463.497	2.603	40	5		JFBBLN
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Cl)c(Cl)c1	ZINC000408658286	569998797	/nfs/dbraw/zinc/99/87/97/569998797.db2.gz	QNXWESNBHHNXER-LLVKDONJSA-N	0	2	495.275	2.577	40	5		JFBBLN
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc(Cl)c1Cl	ZINC000408662058	570001446	/nfs/dbraw/zinc/00/14/46/570001446.db2.gz	WXBRNMNETGBQIP-NSHDSACASA-N	0	2	495.275	2.577	40	5		JFBBLN
CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1=S	ZINC000409166694	570153532	/nfs/dbraw/zinc/15/35/32/570153532.db2.gz	FWXNTFVLZPIDBS-UHFFFAOYSA-N	0	2	470.511	2.925	40	5		JFBBLN
O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1N1CCOCC1	ZINC000409210951	570169734	/nfs/dbraw/zinc/16/97/34/570169734.db2.gz	LVXOBMKQUQGSBK-XDHOZWIPSA-N	0	2	484.490	2.812	40	5		JFBBLN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1	ZINC000033751224	569633575	/nfs/dbraw/zinc/63/35/75/569633575.db2.gz	RFFLMWAOGLBUMD-WEVVVXLNSA-N	0	2	459.436	2.639	40	5		JFBBLN
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3O)C2=O)o1	ZINC000105523306	569853113	/nfs/dbraw/zinc/85/31/13/569853113.db2.gz	YTNHSQDJFQTPSY-WZUFQYTHSA-N	0	2	466.200	2.535	40	5		JFBBLN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000408831172	570052835	/nfs/dbraw/zinc/05/28/35/570052835.db2.gz	QEJQKGMDDXZQGF-JAORQVBISA-N	0	2	479.514	2.721	40	5		JFBBLN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000408831175	570052837	/nfs/dbraw/zinc/05/28/37/570052837.db2.gz	QEJQKGMDDXZQGF-JCAJYURWSA-N	0	2	479.514	2.721	40	5		JFBBLN
CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000409163477	570152701	/nfs/dbraw/zinc/15/27/01/570152701.db2.gz	SBWSTFPTNFXHAN-UHFFFAOYSA-N	0	2	470.511	2.881	40	5		JFBBLN
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1[N+](=O)[O-]	ZINC000409171810	570155170	/nfs/dbraw/zinc/15/51/70/570155170.db2.gz	AYGWWUVULVBCPZ-UHFFFAOYSA-N	0	2	454.511	2.961	40	5		JFBBLN
COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OC	ZINC000408566390	570203686	/nfs/dbraw/zinc/20/36/86/570203686.db2.gz	NSZOMBDMFCWFTE-GCKAQTDUSA-N	0	2	462.300	2.988	40	5		JFBBLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1	ZINC000026117565	556247290	/nfs/dbraw/zinc/24/72/90/556247290.db2.gz	WELVXXXOYDOKMC-UHFFFAOYSA-N	0	2	467.525	2.599	40	5		JFBBLN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000033397177	569625772	/nfs/dbraw/zinc/62/57/72/569625772.db2.gz	LFZXIUOWCDBKTC-FNORWQNLSA-N	0	2	454.351	2.690	40	5		JFBBLN
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cc(Cl)ccc1Cl	ZINC000138597211	569865967	/nfs/dbraw/zinc/86/59/67/569865967.db2.gz	PIDQKYOEBBCUFV-LLVKDONJSA-N	0	2	495.275	2.577	40	5		JFBBLN
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1Cl	ZINC000408637019	569987150	/nfs/dbraw/zinc/98/71/50/569987150.db2.gz	FMAGWZQNMPHLAL-LLVKDONJSA-N	0	2	480.260	2.821	40	5		JFBBLN
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1Cl	ZINC000408637020	569987230	/nfs/dbraw/zinc/98/72/30/569987230.db2.gz	FMAGWZQNMPHLAL-NSHDSACASA-N	0	2	480.260	2.821	40	5		JFBBLN