smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000009580283	555385497	/nfs/dbraw/zinc/38/54/97/555385497.db2.gz	NLJFZWILDCTVKR-BDCMKYTISA-N	-1	0	464.478	2.711	40	5		JFBBRM
O=C1O[C@H]([C@H]2CO[C@H](c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)O2)C([O-])=C1O	ZINC000103764202	569837776	/nfs/dbraw/zinc/83/77/76/569837776.db2.gz	FYICWWAGVCAZSR-AAIMPIBUSA-N	-1	0	469.450	2.588	40	5		JFBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000108060595	569858457	/nfs/dbraw/zinc/85/84/57/569858457.db2.gz	QDRVMPOHWNUJOM-YCRREMRBSA-N	-1	0	468.378	2.668	40	5		JFBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cc(Cl)ccc1Cl	ZINC000138597343	569865992	/nfs/dbraw/zinc/86/59/92/569865992.db2.gz	PIDQKYOEBBCUFV-NSHDSACASA-N	-1	0	495.275	2.577	40	5		JFBBRM
C[C@@H](OC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)C(=O)c1ccc(Cl)cc1	ZINC000408637629	569987542	/nfs/dbraw/zinc/98/75/42/569987542.db2.gz	MAVZOPZLFZJIEF-OCCSQVGLSA-N	-1	0	459.842	2.556	40	5		JFBBRM
O=c1/c(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])sc2nc3cc(Br)cnc3n12	ZINC000408720647	570026505	/nfs/dbraw/zinc/02/65/05/570026505.db2.gz	BAARBLBIIGCSSO-FUQNDXKWSA-N	-1	0	498.112	2.991	40	5		JFBBRM
Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n2C)cc1	ZINC000409127436	570138693	/nfs/dbraw/zinc/13/86/93/570138693.db2.gz	HMFNPYCHEYOMCU-CYBMUJFWSA-N	-1	0	470.511	2.959	40	5		JFBBRM
C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)n1C	ZINC000409128295	570139099	/nfs/dbraw/zinc/13/90/99/570139099.db2.gz	HYINVJKTKLFWGD-LBPRGKRZSA-N	-1	0	456.484	2.651	40	5		JFBBRM
Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n2C)c1	ZINC000409140754	570144475	/nfs/dbraw/zinc/14/44/75/570144475.db2.gz	IJVPUVIRWNSCDH-ZDUSSCGKSA-N	-1	0	470.511	2.959	40	5		JFBBRM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCCO2	ZINC000409196250	570163575	/nfs/dbraw/zinc/16/35/75/570163575.db2.gz	UXDJESLVGICTBW-CAOOACKPSA-N	-1	0	457.420	2.747	40	5		JFBBRM
CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000016682638	520542511	/nfs/dbraw/zinc/54/25/11/520542511.db2.gz	YIQFDRMKHJZGSR-RDJZCZTQSA-N	-1	0	487.266	2.655	40	5		JFBBRM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	ZINC000020153290	555672113	/nfs/dbraw/zinc/67/21/13/555672113.db2.gz	ZKBCZMDKHUGNSO-UHFFFAOYSA-N	-1	0	464.887	2.910	40	5		JFBBRM
COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000026510066	556255407	/nfs/dbraw/zinc/25/54/07/556255407.db2.gz	CXVAQYBHRXVAQA-GOSISDBHSA-N	-1	0	452.427	2.837	40	5		JFBBRM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C1=O	ZINC000409015042	570100823	/nfs/dbraw/zinc/10/08/23/570100823.db2.gz	RAWJKCRIBQYBCP-IGCGCMMHSA-N	-1	0	492.247	2.893	40	5		JFBBRM
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])C2=O)cc1	ZINC000409021488	570103147	/nfs/dbraw/zinc/10/31/47/570103147.db2.gz	KBXJPAIJHPAQOQ-VIZOYTHASA-N	-1	0	475.255	2.903	40	5		JFBBRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O	ZINC000408593058	570209600	/nfs/dbraw/zinc/20/96/00/570209600.db2.gz	OPDYOKURSFQRLQ-OVCLIPMQSA-N	-1	0	476.239	2.914	40	5		JFBBRM
CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000016682637	520545574	/nfs/dbraw/zinc/54/55/74/520545574.db2.gz	YIQFDRMKHJZGSR-WBVHZDCISA-N	-1	0	487.266	2.655	40	5		JFBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Cl	ZINC000020153294	555672132	/nfs/dbraw/zinc/67/21/32/555672132.db2.gz	YJWNTOSMMHWAPF-UHFFFAOYSA-N	-1	0	464.887	2.910	40	5		JFBBRM
COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000030861035	556381555	/nfs/dbraw/zinc/38/15/55/556381555.db2.gz	NOTOSMRMUUQHRG-UHFFFAOYSA-N	-1	0	469.541	2.720	40	5		JFBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000059600159	569607218	/nfs/dbraw/zinc/60/72/18/569607218.db2.gz	BAJXDKDYUMXQMQ-OLROSQPISA-N	-1	0	483.477	2.551	40	5		JFBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Cl)c(Cl)c1	ZINC000408658287	569998805	/nfs/dbraw/zinc/99/88/05/569998805.db2.gz	QNXWESNBHHNXER-NSHDSACASA-N	-1	0	495.275	2.577	40	5		JFBBRM
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000409128205	570138986	/nfs/dbraw/zinc/13/89/86/570138986.db2.gz	HSHZRVLMOHKBPT-UHFFFAOYSA-N	-1	0	484.494	2.565	40	5		JFBBRM
O=C(OC1=C([O-])N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409304999	570197820	/nfs/dbraw/zinc/19/78/20/570197820.db2.gz	LIKMFKVPVZCHLY-PMACEKPBSA-N	-1	0	460.398	2.919	40	5		JFBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(I)c1OC	ZINC000409313446	570199624	/nfs/dbraw/zinc/19/96/24/570199624.db2.gz	ORAOCFMRUFPPKA-PLNGDYQASA-N	-1	0	459.196	2.978	40	5		JFBBRM
CCOc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000102784631	130301313	/nfs/dbraw/zinc/30/13/13/130301313.db2.gz	FWTKOEFFKWYWBX-MYLOEWHJSA-N	-1	0	494.504	2.801	40	5		JFBBRM
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000016138920	519370958	/nfs/dbraw/zinc/37/09/58/519370958.db2.gz	OZHLIGBCQPGARM-WBVHZDCISA-N	-1	0	457.240	2.681	40	5		JFBBRM
O=[N+]([O-])c1ccc(N(CCO)S(=O)(=O)c2ccccc2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000016491521	527358563	/nfs/dbraw/zinc/35/85/63/527358563.db2.gz	QZMWMYMBCXQOHB-UHFFFAOYSA-N	-1	0	477.520	2.583	40	5		JFBBRM
C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2[C@H](C)O1	ZINC000009450826	555223242	/nfs/dbraw/zinc/22/32/42/555223242.db2.gz	LUOMEPYOYBJMST-RQOZVNRLSA-N	-1	0	468.441	2.542	40	5		JFBBRM
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942620	569777027	/nfs/dbraw/zinc/77/70/27/569777027.db2.gz	OZHLIGBCQPGARM-NVXWUHKLSA-N	-1	0	457.240	2.681	40	5		JFBBRM
C[C@H]1O[C@@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@H]12	ZINC000102778953	569823698	/nfs/dbraw/zinc/82/36/98/569823698.db2.gz	LUOMEPYOYBJMST-UCSKIROJSA-N	-1	0	468.441	2.542	40	5		JFBBRM
O=C([O-])[C@H](Cc1c[nH]cn1)N(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000111403665	569860950	/nfs/dbraw/zinc/86/09/50/569860950.db2.gz	DYPVFKXVTXSSTH-KRWDZBQOSA-N	-1	0	487.341	2.877	40	5		JFBBRM
C[C@H](OC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)C(=O)c1ccc(Cl)cc1	ZINC000408637628	569987564	/nfs/dbraw/zinc/98/75/64/569987564.db2.gz	MAVZOPZLFZJIEF-JSGCOSHPSA-N	-1	0	459.842	2.556	40	5		JFBBRM
O=C([O-])CNc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000328997787	570180967	/nfs/dbraw/zinc/18/09/67/570180967.db2.gz	JPFHPIYCDKQGES-UHFFFAOYSA-N	-1	0	463.372	2.903	40	5		JFBBRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409247657	570184803	/nfs/dbraw/zinc/18/48/03/570184803.db2.gz	FIHFUVQZKPKASH-NTUHNPAUSA-N	-1	0	491.254	2.603	40	5		JFBBRM
Cc1cccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c1	ZINC000009187051	554959450	/nfs/dbraw/zinc/95/94/50/554959450.db2.gz	VIKGSKDCLWACFL-OKAYXYTKSA-N	-1	0	464.478	2.711	40	5		JFBBRM
COc1cc(Br)c(Br)c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1O	ZINC000033795379	569635388	/nfs/dbraw/zinc/63/53/88/569635388.db2.gz	LQQNCMDRCJMYFJ-NSCUHMNNSA-N	-1	0	463.038	2.793	40	5		JFBBRM
COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000105665983	569853277	/nfs/dbraw/zinc/85/32/77/569853277.db2.gz	PDEARGOFYXPCOC-GORDUTHDSA-N	-1	0	471.338	2.759	40	5		JFBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc(Cl)c1Cl	ZINC000408662055	570001449	/nfs/dbraw/zinc/00/14/49/570001449.db2.gz	WXBRNMNETGBQIP-LLVKDONJSA-N	-1	0	495.275	2.577	40	5		JFBBRM
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	570042087	/nfs/dbraw/zinc/04/20/87/570042087.db2.gz	WPEFCDXXMWXMHC-ZMUHTPIZSA-N	-1	0	483.477	2.551	40	5		JFBBRM
CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C1=O	ZINC000408917302	570075801	/nfs/dbraw/zinc/07/58/01/570075801.db2.gz	QRSLJBHZCKFRRM-ONNFQVAWSA-N	-1	0	478.220	2.504	40	5		JFBBRM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C1=O	ZINC000409015040	570100803	/nfs/dbraw/zinc/10/08/03/570100803.db2.gz	RAWJKCRIBQYBCP-AUEGDVLESA-N	-1	0	492.247	2.893	40	5		JFBBRM
CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000409151948	570149399	/nfs/dbraw/zinc/14/93/99/570149399.db2.gz	IGJXDFMGUHOMAH-UHFFFAOYSA-N	-1	0	470.511	2.881	40	5		JFBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409193583	570162784	/nfs/dbraw/zinc/16/27/84/570162784.db2.gz	HFMHSWJKLQFRKD-CAOOACKPSA-N	-1	0	487.446	2.755	40	5		JFBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Cl	ZINC000014269646	526353250	/nfs/dbraw/zinc/35/32/50/526353250.db2.gz	IUBWSNOINHERTG-UHFFFAOYSA-N	-1	0	464.887	2.910	40	5		JFBBRM
Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000009451034	555223437	/nfs/dbraw/zinc/22/34/37/555223437.db2.gz	NLJFZWILDCTVKR-OKAYXYTKSA-N	-1	0	464.478	2.711	40	5		JFBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000059600155	569607127	/nfs/dbraw/zinc/60/71/27/569607127.db2.gz	BAJXDKDYUMXQMQ-ZMUHTPIZSA-N	-1	0	483.477	2.551	40	5		JFBBRM
Cc1nn(CCCNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(C)c1[N+](=O)[O-]	ZINC000036615082	569778303	/nfs/dbraw/zinc/77/83/03/569778303.db2.gz	JDTXYWAFCZGKFU-UHFFFAOYSA-N	-1	0	451.288	2.782	40	5		JFBBRM
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O)N1CCCC1	ZINC000205912317	569874556	/nfs/dbraw/zinc/87/45/56/569874556.db2.gz	OBNZDCIFALBAJG-WUXMJOGZSA-N	-1	0	456.274	2.722	40	5		JFBBRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O	ZINC000408593701	569964994	/nfs/dbraw/zinc/96/49/94/569964994.db2.gz	QZHIMOBEDOGPRK-OVCLIPMQSA-N	-1	0	476.239	2.914	40	5		JFBBRM
O=C(CN1C(=O)N/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1	ZINC000408961729	570086159	/nfs/dbraw/zinc/08/61/59/570086159.db2.gz	DQIKDQHVXNKUHO-QPEQYQDCSA-N	-1	0	461.228	2.594	40	5		JFBBRM
CCOc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000102784634	130301363	/nfs/dbraw/zinc/30/13/63/130301363.db2.gz	FWTKOEFFKWYWBX-BTJSHIJGSA-N	-1	0	494.504	2.801	40	5		JFBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000020153133	521835924	/nfs/dbraw/zinc/83/59/24/521835924.db2.gz	VYWJFXGNMSYKJL-UHFFFAOYSA-N	-1	0	494.913	2.918	40	5		JFBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(Br)c(Br)c1O	ZINC000016194693	521943218	/nfs/dbraw/zinc/94/32/18/521943218.db2.gz	UYZWFGDPQVOUIE-NSCUHMNNSA-N	-1	0	463.038	2.793	40	5		JFBBRM
O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000002732514	554316678	/nfs/dbraw/zinc/31/66/78/554316678.db2.gz	MFWUEGUDJXUKIK-UHFFFAOYSA-N	-1	0	456.893	2.731	40	5		JFBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl	ZINC000014269648	555759794	/nfs/dbraw/zinc/75/97/94/555759794.db2.gz	YFTPUHYBYTWPMK-UHFFFAOYSA-N	-1	0	464.887	2.910	40	5		JFBBRM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(I)c1OCC	ZINC000098031670	569749840	/nfs/dbraw/zinc/74/98/40/569749840.db2.gz	ZCLBDUUTMWKYAN-WAYWQWQTSA-N	-1	0	473.223	2.956	40	5		JFBBRM
CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942655	569777058	/nfs/dbraw/zinc/77/70/58/569777058.db2.gz	YIQFDRMKHJZGSR-NVXWUHKLSA-N	-1	0	487.266	2.655	40	5		JFBBRM
O=C1O[C@H]([C@@H]2CO[C@H](c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)O2)C([O-])=C1O	ZINC000103764208	569837924	/nfs/dbraw/zinc/83/79/24/569837924.db2.gz	FYICWWAGVCAZSR-ZEYPLWLESA-N	-1	0	469.450	2.588	40	5		JFBBRM
O=C1O[C@H]([C@@H]2CO[C@@H](c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)O2)C([O-])=C1O	ZINC000103764204	569837949	/nfs/dbraw/zinc/83/79/49/569837949.db2.gz	FYICWWAGVCAZSR-QTGUNEKASA-N	-1	0	469.450	2.588	40	5		JFBBRM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000107991453	569858225	/nfs/dbraw/zinc/85/82/25/569858225.db2.gz	LVJOVBJOLGHTLS-UHFFFAOYSA-N	-1	0	488.503	2.806	40	5		JFBBRM
COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409043543	570108104	/nfs/dbraw/zinc/10/81/04/570108104.db2.gz	RRCXPTQFZXEDGX-VGOFMYFVSA-N	-1	0	495.229	2.967	40	5		JFBBRM
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C1=O	ZINC000409064451	570115864	/nfs/dbraw/zinc/11/58/64/570115864.db2.gz	CVJBRZNBYSTXIW-KIUQOZPWSA-N	-1	0	478.220	2.503	40	5		JFBBRM
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])C2=O)c1	ZINC000409105787	570130200	/nfs/dbraw/zinc/13/02/00/570130200.db2.gz	OQTGKSZGGGUXLS-VIZOYTHASA-N	-1	0	475.255	2.903	40	5		JFBBRM
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-]	ZINC000409296854	570195605	/nfs/dbraw/zinc/19/56/05/570195605.db2.gz	RTUOWDCZYDFEME-SFTDATJTSA-N	-1	0	490.424	2.928	40	5		JFBBRM
CCOc1c(I)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000409314800	570200029	/nfs/dbraw/zinc/20/00/29/570200029.db2.gz	SNMDOUMZQHKHCV-PLNGDYQASA-N	-1	0	459.196	2.978	40	5		JFBBRM
CCc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000009187831	554960160	/nfs/dbraw/zinc/96/01/60/554960160.db2.gz	PSGOFQVCFAYQCT-XSRDSEMUSA-N	-1	0	478.505	2.965	40	5		JFBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000020153300	555672111	/nfs/dbraw/zinc/67/21/11/555672111.db2.gz	AFGIUACWLVTKQH-UHFFFAOYSA-N	-1	0	494.913	2.918	40	5		JFBBRM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000014274107	555775620	/nfs/dbraw/zinc/77/56/20/555775620.db2.gz	UZLUEJNRJHNLPW-UHFFFAOYSA-N	-1	0	488.503	2.806	40	5		JFBBRM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1	ZINC000037345756	569783262	/nfs/dbraw/zinc/78/32/62/569783262.db2.gz	NJKCBVHSALEFJG-CPNJWEJPSA-N	-1	0	468.491	2.686	40	5		JFBBRM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@H]43)C2=O)c1	ZINC000102782293	569823807	/nfs/dbraw/zinc/82/38/07/569823807.db2.gz	VIKGSKDCLWACFL-NDJZIXSNSA-N	-1	0	464.478	2.711	40	5		JFBBRM
C[C@@H](OC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)C(=O)c1ccc(Cl)cc1	ZINC000408637630	569987554	/nfs/dbraw/zinc/98/75/54/569987554.db2.gz	MAVZOPZLFZJIEF-TZMCWYRMSA-N	-1	0	459.842	2.556	40	5		JFBBRM
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	570052953	/nfs/dbraw/zinc/05/29/53/570052953.db2.gz	SIPDDZZSNLDGNX-PRWBYUBPSA-N	-1	0	479.514	2.721	40	5		JFBBRM
Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n2C)cc1	ZINC000409127440	570138681	/nfs/dbraw/zinc/13/86/81/570138681.db2.gz	HMFNPYCHEYOMCU-ZDUSSCGKSA-N	-1	0	470.511	2.959	40	5		JFBBRM
C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)n1C	ZINC000409128291	570138988	/nfs/dbraw/zinc/13/89/88/570138988.db2.gz	HYINVJKTKLFWGD-GFCCVEGCSA-N	-1	0	456.484	2.651	40	5		JFBBRM
Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n2C)c1	ZINC000409140752	570144453	/nfs/dbraw/zinc/14/44/53/570144453.db2.gz	IJVPUVIRWNSCDH-CYBMUJFWSA-N	-1	0	470.511	2.959	40	5		JFBBRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc(OC)c3[O-])C2=O)cc1	ZINC000409232043	570178126	/nfs/dbraw/zinc/17/81/26/570178126.db2.gz	MSQZFFNMBCSQCS-LZYBPNLTSA-N	-1	0	459.436	2.993	40	5		JFBBRM
O=C([O-])CNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329031745	570182371	/nfs/dbraw/zinc/18/23/71/570182371.db2.gz	QKVLCLHMEKCIPK-UHFFFAOYSA-N	-1	0	463.372	2.903	40	5		JFBBRM
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-]	ZINC000409296852	570195597	/nfs/dbraw/zinc/19/55/97/570195597.db2.gz	RTUOWDCZYDFEME-OYRHEFFESA-N	-1	0	490.424	2.928	40	5		JFBBRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1	ZINC000016123875	524591927	/nfs/dbraw/zinc/59/19/27/524591927.db2.gz	HVAJWPCUIYOUEH-UHFFFAOYSA-N	-1	0	477.524	2.912	40	5		JFBBRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000020484377	524592478	/nfs/dbraw/zinc/59/24/78/524592478.db2.gz	SBGSVHODHNXLMD-UHFFFAOYSA-N	-1	0	477.524	2.744	40	5		JFBBRM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@H]43)C2=O)c1	ZINC000102782287	569823743	/nfs/dbraw/zinc/82/37/43/569823743.db2.gz	VIKGSKDCLWACFL-BMZLUOIXSA-N	-1	0	464.478	2.711	40	5		JFBBRM
O=c1/c(=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])sc2nc3cc(Br)cnc3n12	ZINC000408720633	570026501	/nfs/dbraw/zinc/02/65/01/570026501.db2.gz	ARLZWFNNCXTGGZ-FUQNDXKWSA-N	-1	0	498.112	2.991	40	5		JFBBRM
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000409017994	570101981	/nfs/dbraw/zinc/10/19/81/570101981.db2.gz	OQUVBZHXVFEMHX-VGOFMYFVSA-N	-1	0	475.255	2.903	40	5		JFBBRM
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C1=O	ZINC000409064452	570115841	/nfs/dbraw/zinc/11/58/41/570115841.db2.gz	CVJBRZNBYSTXIW-ONUAPLEPSA-N	-1	0	478.220	2.503	40	5		JFBBRM
O=C([O-])CNc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329036973	570182643	/nfs/dbraw/zinc/18/26/43/570182643.db2.gz	RLKRFTPAFQNBKC-UHFFFAOYSA-N	-1	0	463.372	2.903	40	5		JFBBRM
O=C(OC1=C([O-])N(c2cccc([N+](=O)[O-])c2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409305001	570197801	/nfs/dbraw/zinc/19/78/01/570197801.db2.gz	LIKMFKVPVZCHLY-WOJBJXKFSA-N	-1	0	460.398	2.919	40	5		JFBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000409318981	570200735	/nfs/dbraw/zinc/20/07/35/570200735.db2.gz	ZFULORNYFWGGBQ-FNORWQNLSA-N	-1	0	483.393	2.901	40	5		JFBBRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408592377	570209444	/nfs/dbraw/zinc/20/94/44/570209444.db2.gz	MHCYOUQZNRXGHJ-VIZOYTHASA-N	-1	0	461.814	2.813	40	5		JFBBRM
CCOC(=O)C([N-]c1cc([N+](=O)[O-])ccc1C(=O)N1CCCCC1)(C(=O)OCC)N1CCCCC1	ZINC000031792584	556404770	/nfs/dbraw/zinc/40/47/70/556404770.db2.gz	HNKUKZMBJVPUPY-UHFFFAOYSA-N	-1	0	490.557	2.941	40	5		JFBBRM
O=c1[nH]c2c(s1)[C@@H](c1cc([N+](=O)[O-])ccc1[O-])[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1S2	ZINC000101027446	569780021	/nfs/dbraw/zinc/78/00/21/569780021.db2.gz	CXJBOGIOWQBSGB-LZWOXQAQSA-N	-1	0	455.473	2.846	40	5		JFBBRM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@H]43)C2=O)cc1	ZINC000102779039	569823722	/nfs/dbraw/zinc/82/37/22/569823722.db2.gz	NLJFZWILDCTVKR-NDJZIXSNSA-N	-1	0	464.478	2.711	40	5		JFBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Cl)cc1Cl	ZINC000408651768	569994522	/nfs/dbraw/zinc/99/45/22/569994522.db2.gz	DUUBFIOCNOLRHA-LLVKDONJSA-N	-1	0	495.275	2.577	40	5		JFBBRM
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	570042094	/nfs/dbraw/zinc/04/20/94/570042094.db2.gz	WPEFCDXXMWXMHC-OLROSQPISA-N	-1	0	483.477	2.551	40	5		JFBBRM
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	570052892	/nfs/dbraw/zinc/05/28/92/570052892.db2.gz	SIPDDZZSNLDGNX-SRKIZSPNSA-N	-1	0	479.514	2.721	40	5		JFBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409019756	570102588	/nfs/dbraw/zinc/10/25/88/570102588.db2.gz	KOEJDLOOTVUFDO-CPNJWEJPSA-N	-1	0	498.517	2.694	40	5		JFBBRM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)N1	ZINC000409055541	570111525	/nfs/dbraw/zinc/11/15/25/570111525.db2.gz	JCQFJJYNDOOJJQ-RIYZIHGNSA-N	-1	0	465.203	2.959	40	5		JFBBRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000016429249	526344051	/nfs/dbraw/zinc/34/40/51/526344051.db2.gz	JUDJYQLVWKMXSY-UHFFFAOYSA-N	-1	0	454.258	2.948	40	5		JFBBRM
Cc1cccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c1	ZINC000009187050	554959358	/nfs/dbraw/zinc/95/93/58/554959358.db2.gz	VIKGSKDCLWACFL-BDCMKYTISA-N	-1	0	464.478	2.711	40	5		JFBBRM
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1	ZINC000019933006	555550341	/nfs/dbraw/zinc/55/03/41/555550341.db2.gz	RMNBUYVADZUXAK-UHFFFAOYSA-N	-1	0	454.511	2.794	40	5		JFBBRM
O=c1[nH]c2c(s1)[C@@H](c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1S2	ZINC000018157641	556295828	/nfs/dbraw/zinc/29/58/28/556295828.db2.gz	CXJBOGIOWQBSGB-DZKIICNBSA-N	-1	0	455.473	2.846	40	5		JFBBRM
O=c1nc2n(-c3ccc(I)cc3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[n-]1	ZINC000059497772	569606083	/nfs/dbraw/zinc/60/60/83/569606083.db2.gz	LKWJCKAOTRVWNW-UHFFFAOYSA-N	-1	0	460.187	2.692	40	5		JFBBRM
CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942658	569777046	/nfs/dbraw/zinc/77/70/46/569777046.db2.gz	YIQFDRMKHJZGSR-DOTOQJQBSA-N	-1	0	487.266	2.655	40	5		JFBBRM
CCc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000102782194	569823687	/nfs/dbraw/zinc/82/36/87/569823687.db2.gz	PSGOFQVCFAYQCT-BTJSHIJGSA-N	-1	0	478.505	2.965	40	5		JFBBRM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@H]43)C2=O)cc1	ZINC000102779033	569823714	/nfs/dbraw/zinc/82/37/14/569823714.db2.gz	NLJFZWILDCTVKR-BMZLUOIXSA-N	-1	0	464.478	2.711	40	5		JFBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c1[O-]	ZINC000409021145	570103053	/nfs/dbraw/zinc/10/30/53/570103053.db2.gz	YHLDNNZYTXIBRG-XDHOZWIPSA-N	-1	0	498.517	2.694	40	5		JFBBRM
O=C(CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O)Nc1ccccc1F	ZINC000409215128	570171995	/nfs/dbraw/zinc/17/19/95/570171995.db2.gz	WTLSEWPADFSCAF-MKMNVTDBSA-N	-1	0	479.218	2.733	40	5		JFBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)c1[O-]	ZINC000409232393	570178282	/nfs/dbraw/zinc/17/82/82/570178282.db2.gz	OQHARHWWOLZYJW-LICLKQGHSA-N	-1	0	454.439	2.793	40	5		JFBBRM
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-]	ZINC000409296850	570195584	/nfs/dbraw/zinc/19/55/84/570195584.db2.gz	RTUOWDCZYDFEME-NHCUHLMSSA-N	-1	0	490.424	2.928	40	5		JFBBRM
Cc1ccc(S(=O)(=O)Oc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000409321475	570201286	/nfs/dbraw/zinc/20/12/86/570201286.db2.gz	GNXVFMVKWWZRAQ-WEVVVXLNSA-N	-1	0	474.407	2.951	40	5		JFBBRM
CCOC(=O)COc1c(Br)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000409325234	570201949	/nfs/dbraw/zinc/20/19/49/570201949.db2.gz	YCHNUTPFACPLOY-SNAWJCMRSA-N	-1	0	470.232	2.679	40	5		JFBBRM
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000016138922	519370782	/nfs/dbraw/zinc/37/07/82/519370782.db2.gz	OZHLIGBCQPGARM-RDJZCZTQSA-N	-1	0	457.240	2.681	40	5		JFBBRM
CCOc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000009433856	555204343	/nfs/dbraw/zinc/20/43/43/555204343.db2.gz	FWTKOEFFKWYWBX-XSXFHOMPSA-N	-1	0	494.504	2.801	40	5		JFBBRM
CCOc1c(I)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OC	ZINC000098031668	569749810	/nfs/dbraw/zinc/74/98/10/569749810.db2.gz	XTITUGZPOSWPJJ-PLNGDYQASA-N	-1	0	459.196	2.566	40	5		JFBBRM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(I)c1OC	ZINC000098031669	569749827	/nfs/dbraw/zinc/74/98/27/569749827.db2.gz	UHAJDQGWWHIACB-PLNGDYQASA-N	-1	0	459.196	2.566	40	5		JFBBRM
O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1[O-])[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1S2	ZINC000101027449	569779952	/nfs/dbraw/zinc/77/99/52/569779952.db2.gz	CXJBOGIOWQBSGB-FMKPAKJESA-N	-1	0	455.473	2.846	40	5		JFBBRM
CCc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000102782193	569823709	/nfs/dbraw/zinc/82/37/09/569823709.db2.gz	PSGOFQVCFAYQCT-MYLOEWHJSA-N	-1	0	478.505	2.965	40	5		JFBBRM
O=C1O[C@H]([C@H]2CO[C@@H](c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)O2)C([O-])=C1O	ZINC000103764197	569837787	/nfs/dbraw/zinc/83/77/87/569837787.db2.gz	FYICWWAGVCAZSR-JMUQELJHSA-N	-1	0	469.450	2.588	40	5		JFBBRM
C[C@H](OC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)C(=O)c1ccc(Cl)cc1	ZINC000408637627	569987506	/nfs/dbraw/zinc/98/75/06/569987506.db2.gz	MAVZOPZLFZJIEF-GXTWGEPZSA-N	-1	0	459.842	2.556	40	5		JFBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Cl)cc1Cl	ZINC000408651769	569994515	/nfs/dbraw/zinc/99/45/15/569994515.db2.gz	DUUBFIOCNOLRHA-NSHDSACASA-N	-1	0	495.275	2.577	40	5		JFBBRM
O=C1N/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C(=O)N1Cc1ccccc1	ZINC000409221361	570174622	/nfs/dbraw/zinc/17/46/22/570174622.db2.gz	PHMIEWIZNZOSTR-VGOFMYFVSA-N	-1	0	465.203	2.998	40	5		JFBBRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O	ZINC000409242664	570182573	/nfs/dbraw/zinc/18/25/73/570182573.db2.gz	XMDNFSCIENSUFM-VGOFMYFVSA-N	-1	0	491.254	2.603	40	5		JFBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000409326679	570202288	/nfs/dbraw/zinc/20/22/88/570202288.db2.gz	NAZAPHRVYIBDBJ-SOFGYWHQSA-N	-1	0	490.406	2.651	40	5		JFBBRM
O=c1/c(=C\c2cc(I)c([O-])c([N+](=O)[O-])c2)sc2nc3ccccc3n12	ZINC000016545563	527433458	/nfs/dbraw/zinc/43/34/58/527433458.db2.gz	OCRBPDYRGGEWNA-NTUHNPAUSA-N	-1	0	465.228	2.675	40	5		JFBBRM
O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1S2	ZINC000013638993	555546192	/nfs/dbraw/zinc/54/61/92/555546192.db2.gz	CXJBOGIOWQBSGB-YCPHGPKFSA-N	-1	0	455.473	2.846	40	5		JFBBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1	ZINC000020112417	555649858	/nfs/dbraw/zinc/64/98/58/555649858.db2.gz	BJBDOQKMKILMBE-UHFFFAOYSA-N	-1	0	463.497	2.603	40	5		JFBBRM
O=c1/c(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])sc2nc3ccccc3n12	ZINC000137335107	569864915	/nfs/dbraw/zinc/86/49/15/569864915.db2.gz	OJTFVCWGVRATKI-MLPAPPSSSA-N	-1	0	465.228	2.675	40	5		JFBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Cl)c(Cl)c1	ZINC000408658286	569998796	/nfs/dbraw/zinc/99/87/96/569998796.db2.gz	QNXWESNBHHNXER-LLVKDONJSA-N	-1	0	495.275	2.577	40	5		JFBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc(Cl)c1Cl	ZINC000408662058	570001445	/nfs/dbraw/zinc/00/14/45/570001445.db2.gz	WXBRNMNETGBQIP-NSHDSACASA-N	-1	0	495.275	2.577	40	5		JFBBRM
CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1=S	ZINC000409166694	570153531	/nfs/dbraw/zinc/15/35/31/570153531.db2.gz	FWXNTFVLZPIDBS-UHFFFAOYSA-N	-1	0	470.511	2.925	40	5		JFBBRM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccccc1N1CCOCC1	ZINC000409210951	570169732	/nfs/dbraw/zinc/16/97/32/570169732.db2.gz	LVXOBMKQUQGSBK-XDHOZWIPSA-N	-1	0	484.490	2.812	40	5		JFBBRM
COCCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C1=O	ZINC000409232530	570178323	/nfs/dbraw/zinc/17/83/23/570178323.db2.gz	QRMLUZZNNBECKX-IZZDOVSWSA-N	-1	0	464.237	2.978	40	5		JFBBRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409237882	570180673	/nfs/dbraw/zinc/18/06/73/570180673.db2.gz	JIBGQNLWUMWVRC-CXUHLZMHSA-N	-1	0	454.439	2.793	40	5		JFBBRM
O=C(CN1C(=O)S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O)N1CCCC1	ZINC000408552801	570195682	/nfs/dbraw/zinc/19/56/82/570195682.db2.gz	VLPCBGDDJRKANJ-KPKJPENVSA-N	-1	0	456.274	2.722	40	5		JFBBRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000016450524	526343317	/nfs/dbraw/zinc/34/33/17/526343317.db2.gz	VVUCKSCYUGBEEZ-UHFFFAOYSA-N	-1	0	454.258	2.948	40	5		JFBBRM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000020153129	526370447	/nfs/dbraw/zinc/37/04/47/526370447.db2.gz	NDLILXXLTFVUFD-UHFFFAOYSA-N	-1	0	464.887	2.910	40	5		JFBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1	ZINC000033751224	569633573	/nfs/dbraw/zinc/63/35/73/569633573.db2.gz	RFFLMWAOGLBUMD-WEVVVXLNSA-N	-1	0	459.436	2.639	40	5		JFBBRM
O=C([O-])[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100044657	569751912	/nfs/dbraw/zinc/75/19/12/569751912.db2.gz	BWXMKHIUCXHRIC-NSHDSACASA-N	-1	0	453.345	2.977	40	5		JFBBRM
CC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942625	569777021	/nfs/dbraw/zinc/77/70/21/569777021.db2.gz	OZHLIGBCQPGARM-DOTOQJQBSA-N	-1	0	457.240	2.681	40	5		JFBBRM
O=[N+]([O-])c1cc([N+](=O)[O-])c(NNc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000104122301	569841186	/nfs/dbraw/zinc/84/11/86/569841186.db2.gz	MBDNFKYTGJTTQI-UHFFFAOYSA-N	-1	0	454.224	2.575	40	5		JFBBRM
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3[O-])C2=O)o1	ZINC000105523306	569853112	/nfs/dbraw/zinc/85/31/12/569853112.db2.gz	YTNHSQDJFQTPSY-WZUFQYTHSA-N	-1	0	466.200	2.535	40	5		JFBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000408831172	570052834	/nfs/dbraw/zinc/05/28/34/570052834.db2.gz	QEJQKGMDDXZQGF-JAORQVBISA-N	-1	0	479.514	2.721	40	5		JFBBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000408831175	570052836	/nfs/dbraw/zinc/05/28/36/570052836.db2.gz	QEJQKGMDDXZQGF-JCAJYURWSA-N	-1	0	479.514	2.721	40	5		JFBBRM
CN(c1cccc(F)c1)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O	ZINC000257279843	570132700	/nfs/dbraw/zinc/13/27/00/570132700.db2.gz	OIKHHIOMJMQYDO-UAOJZALGSA-N	-1	0	465.503	2.595	40	5		JFBBRM
COCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C1=O	ZINC000409136129	570142357	/nfs/dbraw/zinc/14/23/57/570142357.db2.gz	SMKALBWUKWQHGT-BJMVGYQFSA-N	-1	0	450.210	2.588	40	5		JFBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409153904	570150029	/nfs/dbraw/zinc/15/00/29/570150029.db2.gz	NYFJBVLSSYOALG-OMCISZLKSA-N	-1	0	473.419	2.713	40	5		JFBBRM
CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000409163477	570152699	/nfs/dbraw/zinc/15/26/99/570152699.db2.gz	SBWSTFPTNFXHAN-UHFFFAOYSA-N	-1	0	470.511	2.881	40	5		JFBBRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000409164662	570152958	/nfs/dbraw/zinc/15/29/58/570152958.db2.gz	LQZOZJVJEPEZAC-CXUHLZMHSA-N	-1	0	459.436	2.993	40	5		JFBBRM
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1[N+](=O)[O-]	ZINC000409171810	570155166	/nfs/dbraw/zinc/15/51/66/570155166.db2.gz	AYGWWUVULVBCPZ-UHFFFAOYSA-N	-1	0	454.511	2.961	40	5		JFBBRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000408588610	570208647	/nfs/dbraw/zinc/20/86/47/570208647.db2.gz	CACNTAMRTUOUKO-OVCLIPMQSA-N	-1	0	476.239	2.914	40	5		JFBBRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408590105	570208917	/nfs/dbraw/zinc/20/89/17/570208917.db2.gz	GCBNXZYQWBRFMD-VIZOYTHASA-N	-1	0	461.814	2.813	40	5		JFBBRM
CCOC(=O)c1c(N)n(-c2ccc([N+](=O)[O-])cc2)nc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000016683043	521406818	/nfs/dbraw/zinc/40/68/18/521406818.db2.gz	PIEUVKMVFMSLNR-UHFFFAOYSA-N	-1	0	465.875	2.994	40	5		JFBBRM
CCc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000009186995	554959329	/nfs/dbraw/zinc/95/93/29/554959329.db2.gz	PSGOFQVCFAYQCT-XSXFHOMPSA-N	-1	0	478.505	2.965	40	5		JFBBRM
CCOc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000009348228	555114428	/nfs/dbraw/zinc/11/44/28/555114428.db2.gz	FWTKOEFFKWYWBX-XSRDSEMUSA-N	-1	0	494.504	2.801	40	5		JFBBRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O	ZINC000408593704	569964985	/nfs/dbraw/zinc/96/49/85/569964985.db2.gz	RAWSNBREHIRKGM-OVCLIPMQSA-N	-1	0	476.239	2.914	40	5		JFBBRM
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000409106993	570130545	/nfs/dbraw/zinc/13/05/45/570130545.db2.gz	PMSQLJQJBBTSJW-VGOFMYFVSA-N	-1	0	475.255	2.903	40	5		JFBBRM
CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C1=O	ZINC000409108738	570131262	/nfs/dbraw/zinc/13/12/62/570131262.db2.gz	XRXFAWQAHXDRLN-NYYWCZLTSA-N	-1	0	492.247	2.893	40	5		JFBBRM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])s2)cc1	ZINC000033436865	525075968	/nfs/dbraw/zinc/07/59/68/525075968.db2.gz	FNPPHVLYVGMZMZ-YWEYNIOJSA-N	-1	0	461.481	2.908	40	5		JFBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1Cl	ZINC000020153307	555672389	/nfs/dbraw/zinc/67/23/89/555672389.db2.gz	YCVPUBGUYMZOBJ-UHFFFAOYSA-N	-1	0	464.887	2.910	40	5		JFBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1	ZINC000026117565	556247288	/nfs/dbraw/zinc/24/72/88/556247288.db2.gz	WELVXXXOYDOKMC-UHFFFAOYSA-N	-1	0	467.525	2.599	40	5		JFBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000033397177	569625770	/nfs/dbraw/zinc/62/57/70/569625770.db2.gz	LFZXIUOWCDBKTC-FNORWQNLSA-N	-1	0	454.351	2.690	40	5		JFBBRM
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)o1	ZINC000106650871	569854340	/nfs/dbraw/zinc/85/43/40/569854340.db2.gz	RSXULMDSTCFXRE-WZUFQYTHSA-N	-1	0	466.200	2.535	40	5		JFBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cc(Cl)ccc1Cl	ZINC000138597211	569865966	/nfs/dbraw/zinc/86/59/66/569865966.db2.gz	PIDQKYOEBBCUFV-LLVKDONJSA-N	-1	0	495.275	2.577	40	5		JFBBRM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1Cl	ZINC000408637019	569987149	/nfs/dbraw/zinc/98/71/49/569987149.db2.gz	FMAGWZQNMPHLAL-LLVKDONJSA-N	-1	0	480.260	2.821	40	5		JFBBRM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1Cl	ZINC000408637020	569987228	/nfs/dbraw/zinc/98/72/28/569987228.db2.gz	FMAGWZQNMPHLAL-NSHDSACASA-N	-1	0	480.260	2.821	40	5		JFBBRM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)N1	ZINC000409049143	570109489	/nfs/dbraw/zinc/10/94/89/570109489.db2.gz	VANSSBNHJYLHAS-RIYZIHGNSA-N	-1	0	465.203	2.959	40	5		JFBBRM
O=C(CN1C(=O)N/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccccc1F	ZINC000409199309	570164568	/nfs/dbraw/zinc/16/45/68/570164568.db2.gz	BMBKDHLXPFMNQM-AWNIVKPZSA-N	-1	0	479.218	2.733	40	5		JFBBRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000409245874	570184087	/nfs/dbraw/zinc/18/40/87/570184087.db2.gz	AFYLZCAWGYQPEH-VIZOYTHASA-N	-1	0	474.407	2.892	40	5		JFBBRM