smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])o1	ZINC000408635328	195484544	/nfs/dbraw/zinc/48/45/44/195484544.db2.gz	ZIBXZFLEQUBNKZ-ODLFYWEKSA-N	-1	0	483.889	6.084	40	5		JKBBRM
O=C([O-])c1cc(-c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)nc2ccc3ccccc3c21	ZINC000016526070	526342270	/nfs/dbraw/zinc/34/22/70/526342270.db2.gz	JQZQXLCBTPGSOW-UHFFFAOYSA-N	-1	0	496.488	7.775	40	5		JKBBRM
O=S(=O)([N-]c1ccccn1)c1ccc(NCc2c3ccccc3nc3cc(Cl)ccc32)cc1	ZINC000005614308	527255276	/nfs/dbraw/zinc/25/52/76/527255276.db2.gz	UQBYJOVTHNADDJ-UHFFFAOYSA-N	-1	0	474.973	5.849	40	5		JKBBRM
O=c1[n-]/c(=C\c2c3ccccc3cc3ccccc32)c(=O)[nH]/c1=C\c1c2ccccc2cc2ccccc21	ZINC000016525777	527435153	/nfs/dbraw/zinc/43/51/53/527435153.db2.gz	ZTWMLAIUDTVINX-CDSIFPFTSA-N	-1	0	490.562	5.334	40	5		JKBBRM
O=C([O-])[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000004830950	554482474	/nfs/dbraw/zinc/48/24/74/554482474.db2.gz	XTTSYMYBNFJCMV-RUZDIDTESA-N	-1	0	484.577	6.185	40	5		JKBBRM
O=C([O-])c1c(C(=O)Nc2nc(-c3ccc4c(c3)Cc3ccccc3-4)cs2)cccc1[N+](=O)[O-]	ZINC000008911497	554800546	/nfs/dbraw/zinc/80/05/46/554800546.db2.gz	NXRTVBHBNKWWLX-UHFFFAOYSA-N	-1	0	457.467	5.240	40	5		JKBBRM
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(=O)[O-])c(Cl)cc3Cl)o2)c([N+](=O)[O-])c1	ZINC000020150996	555667596	/nfs/dbraw/zinc/66/75/96/555667596.db2.gz	DZWHGZLVIAWOQN-QPJJXVBHSA-N	-1	0	461.257	5.820	40	5		JKBBRM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)o1	ZINC000020151024	555667987	/nfs/dbraw/zinc/66/79/87/555667987.db2.gz	JLWIIPXEANDAFQ-QPJJXVBHSA-N	-1	0	461.257	5.820	40	5		JKBBRM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000016778337	556158724	/nfs/dbraw/zinc/15/87/24/556158724.db2.gz	ISPPXMMIOCGCJR-UHFFFAOYSA-N	-1	0	487.900	5.183	40	5		JKBBRM
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21	ZINC000016807632	556162415	/nfs/dbraw/zinc/16/24/15/556162415.db2.gz	YDAPZEGSPZUBPT-UHFFFAOYSA-N	-1	0	493.541	5.133	40	5		JKBBRM
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026787019	556263280	/nfs/dbraw/zinc/26/32/80/556263280.db2.gz	BADSVIYBHIIAQE-UHFFFAOYSA-N	-1	0	488.949	5.471	40	5		JKBBRM
O=C([O-])c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C/c1ccc(Cl)cc1	ZINC000100556869	569764448	/nfs/dbraw/zinc/76/44/48/569764448.db2.gz	XVWOKAVHZNRCIQ-LHHJGKSTSA-N	-1	0	467.777	5.332	40	5		JKBBRM
O=C([O-])c1c(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-]	ZINC000039404519	569809740	/nfs/dbraw/zinc/80/97/40/569809740.db2.gz	SLQDOJHPBKTUGO-IBUWUPJBSA-N	-1	0	481.508	5.730	40	5		JKBBRM
O=C([O-])C(Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1	ZINC000218904347	569883569	/nfs/dbraw/zinc/88/35/69/569883569.db2.gz	IOBHTRTWFGXPLF-UHFFFAOYSA-N	-1	0	486.436	5.706	40	5		JKBBRM
O=Cc1ccc(Sc2nnc(-c3cc(Br)ccc3[O-])n2-c2ccccc2)c([N+](=O)[O-])c1	ZINC000408603942	569970128	/nfs/dbraw/zinc/97/01/28/569970128.db2.gz	HTLBUEJCSXMWSC-UHFFFAOYSA-N	-1	0	497.330	5.274	40	5		JKBBRM
COc1cc(CNc2cccc(C(=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408613812	569973569	/nfs/dbraw/zinc/97/35/69/569973569.db2.gz	VUMKTLBNUOXGOG-UHFFFAOYSA-N	-1	0	462.380	5.725	40	5		JKBBRM
CCCc1nc(SC(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000408630547	569982353	/nfs/dbraw/zinc/98/23/53/569982353.db2.gz	BLIBSZMMJPLVOH-GZTJUZNOSA-N	-1	0	476.967	5.688	40	5		JKBBRM
O=C([O-])/C(=C/c1c2ccccc2cc2ccccc21)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408631593	569983110	/nfs/dbraw/zinc/98/31/10/569983110.db2.gz	AAJJRUKOIJRCQU-HMAPJEAMSA-N	-1	0	458.926	6.914	40	5		JKBBRM
O=C([O-])/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)Sc1nc2ccccc2o1	ZINC000408631713	569983208	/nfs/dbraw/zinc/98/32/08/569983208.db2.gz	AYYCTPPMAPZAED-QRVIBDJDSA-N	-1	0	471.494	5.957	40	5		JKBBRM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])o1	ZINC000408632002	569983365	/nfs/dbraw/zinc/98/33/65/569983365.db2.gz	CLFUYYYDKFEOCZ-ODLFYWEKSA-N	-1	0	483.889	6.084	40	5		JKBBRM
Cc1ccc(Sc2ccc(/C=C(/Sc3nc4ccccc4[nH]3)C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000408631985	569983381	/nfs/dbraw/zinc/98/33/81/569983381.db2.gz	CCNLKCRZDSGVPQ-FYJGNVAPSA-N	-1	0	463.540	6.149	40	5		JKBBRM
Cc1ccc(-c2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000408632324	569983606	/nfs/dbraw/zinc/98/36/06/569983606.db2.gz	DJSQPPDEVKZFTO-ODLFYWEKSA-N	-1	0	482.905	5.820	40	5		JKBBRM
Cc1c(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])o2)cccc1[N+](=O)[O-]	ZINC000408633816	569984785	/nfs/dbraw/zinc/98/47/85/569984785.db2.gz	MBWWXKZRADCCCR-ODLFYWEKSA-N	-1	0	483.889	6.084	40	5		JKBBRM
O=C([O-])/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408633923	569984823	/nfs/dbraw/zinc/98/48/23/569984823.db2.gz	NKPYIKLAQMKRPQ-WQRHYEAKSA-N	-1	0	469.862	5.776	40	5		JKBBRM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])o1	ZINC000408635300	569985631	/nfs/dbraw/zinc/98/56/31/569985631.db2.gz	YUKWEDAFZSGUHS-ODLFYWEKSA-N	-1	0	482.905	5.820	40	5		JKBBRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000408749133	570033456	/nfs/dbraw/zinc/03/34/56/570033456.db2.gz	DRZUJCGENJFHHZ-DLBZAZTESA-N	-1	0	471.560	5.326	40	5		JKBBRM
O=C([O-])c1ccc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2cccc3ccccc32)C4=O)cc1	ZINC000408992392	570094429	/nfs/dbraw/zinc/09/44/29/570094429.db2.gz	AYNNXLPTHGSGAU-UHFFFAOYSA-N	-1	0	488.455	6.067	40	5		JKBBRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2	ZINC000408995308	570095224	/nfs/dbraw/zinc/09/52/24/570095224.db2.gz	LYCMUJXLNSTRDX-XNFLFYSQSA-N	-1	0	492.531	6.343	40	5		JKBBRM
Cc1ccccc1N1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408996003	570095324	/nfs/dbraw/zinc/09/53/24/570095324.db2.gz	CLYTTWPSTDODRW-UHFFFAOYSA-N	-1	0	452.422	5.222	40	5		JKBBRM
O=C([O-])c1cccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)c1	ZINC000408996113	570095456	/nfs/dbraw/zinc/09/54/56/570095456.db2.gz	ODJGXNMDCJYYDN-UHFFFAOYSA-N	-1	0	487.855	5.644	40	5		JKBBRM
O=C([O-])c1cccc2c1N[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1Cc3ccccc3[C@@H]21	ZINC000409001652	570096482	/nfs/dbraw/zinc/09/64/82/570096482.db2.gz	PZUPIPOIQYRUCH-HZFUHODCSA-N	-1	0	492.531	6.343	40	5		JKBBRM
O=C([O-])c1ccc([C@@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1	ZINC000409140537	570144352	/nfs/dbraw/zinc/14/43/52/570144352.db2.gz	FIEAQSNNBGKVRQ-MHZLTWQESA-N	-1	0	493.519	5.654	40	5		JKBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)[nH]1	ZINC000409326395	570202296	/nfs/dbraw/zinc/20/22/96/570202296.db2.gz	KAMBMYUJSFYGJR-CMDGGOBGSA-N	-1	0	457.273	5.276	40	5		JKBBRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000059417543	195399757	/nfs/dbraw/zinc/39/97/57/195399757.db2.gz	UYJSFMVSDPMWEE-UHFFFAOYSA-N	-1	0	465.512	5.447	40	5		JKBBRM
O=C([O-])c1cc2oc3ccccc3c3ccccc3oc2cc1C(=O)Nc1cccc(Cl)c1	ZINC000001863770	553998186	/nfs/dbraw/zinc/99/81/86/553998186.db2.gz	KMHZPUZWXYOYQN-UHFFFAOYSA-N	-1	0	457.869	7.061	40	5		JKBBRM
CC(C)(C)[C@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c2C1	ZINC000008870272	554764971	/nfs/dbraw/zinc/76/49/71/554764971.db2.gz	PLMOJASCBBUNBP-INIZCTEOSA-N	-1	0	478.570	6.446	40	5		JKBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	ZINC000020151031	555667994	/nfs/dbraw/zinc/66/79/94/555667994.db2.gz	RPWSKJKKVSROCW-VMPITWQZSA-N	-1	0	456.838	5.175	40	5		JKBBRM
CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c(C)c2C	ZINC000016779779	556159543	/nfs/dbraw/zinc/15/95/43/556159543.db2.gz	ZKSQQDYOXDVYPK-UHFFFAOYSA-N	-1	0	491.569	5.776	40	5		JKBBRM
CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21	ZINC000016807643	556162376	/nfs/dbraw/zinc/16/23/76/556162376.db2.gz	LMARFJRTJYUGPS-UHFFFAOYSA-N	-1	0	477.542	5.467	40	5		JKBBRM
O=C(Nc1cc(/C=C\c2ccc(Cl)cc2)ccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1[O-]	ZINC000025557561	556220271	/nfs/dbraw/zinc/22/02/71/556220271.db2.gz	VBIVOJDWMKLXLM-UPHRSURJSA-N	-1	0	463.704	6.683	40	5		JKBBRM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026786969	556263222	/nfs/dbraw/zinc/26/32/22/556263222.db2.gz	JKMCBRCDWFTBMY-UHFFFAOYSA-N	-1	0	488.949	5.471	40	5		JKBBRM
CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1[N+](=O)[O-]	ZINC000032116575	556424254	/nfs/dbraw/zinc/42/42/54/556424254.db2.gz	MWHGEBKEBHZTQF-UHFFFAOYSA-N	-1	0	498.289	5.522	40	5		JKBBRM
Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1[N+](=O)[O-]	ZINC000032116644	556424555	/nfs/dbraw/zinc/42/45/55/556424555.db2.gz	AOLIWZMUAYIEAE-UHFFFAOYSA-N	-1	0	468.263	5.432	40	5		JKBBRM
O=C([O-])[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000008628857	569592350	/nfs/dbraw/zinc/59/23/50/569592350.db2.gz	XTTSYMYBNFJCMV-VWLOTQADSA-N	-1	0	484.577	6.185	40	5		JKBBRM
O=C([O-])c1c(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cccc1[N+](=O)[O-]	ZINC000039404517	569809803	/nfs/dbraw/zinc/80/98/03/569809803.db2.gz	SLQDOJHPBKTUGO-UWGPBRKDSA-N	-1	0	481.508	5.730	40	5		JKBBRM
CCOc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106719606	569855039	/nfs/dbraw/zinc/85/50/39/569855039.db2.gz	ZJSTXSPSVNOXQT-NDENLUEZSA-N	-1	0	450.472	5.089	40	5		JKBBRM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1Cl	ZINC000106739477	569855385	/nfs/dbraw/zinc/85/53/85/569855385.db2.gz	YCWBOVOESCWPEW-GRSHGNNSSA-N	-1	0	484.873	5.443	40	5		JKBBRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408607330	569971505	/nfs/dbraw/zinc/97/15/05/569971505.db2.gz	JYSJUGWLBOZFCA-UHFFFAOYSA-N	-1	0	456.882	5.536	40	5		JKBBRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408611767	569972779	/nfs/dbraw/zinc/97/27/79/569972779.db2.gz	RHNFWLFTERBWLJ-UHFFFAOYSA-N	-1	0	487.306	5.255	40	5		JKBBRM
CCc1nnc(S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)[O-])o1	ZINC000408630485	569982329	/nfs/dbraw/zinc/98/23/29/569982329.db2.gz	AHMHXUJFXIPEIK-MHWRWJLKSA-N	-1	0	463.924	5.563	40	5		JKBBRM
CCc1nnc(S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])o1	ZINC000408631846	569983327	/nfs/dbraw/zinc/98/33/27/569983327.db2.gz	MFKDHYBOLWXHAI-NDENLUEZSA-N	-1	0	464.503	5.069	40	5		JKBBRM
CCn1c(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408632051	569983463	/nfs/dbraw/zinc/98/34/63/569983463.db2.gz	CXFPFMGVBSTFIE-MOSHPQCFSA-N	-1	0	496.932	6.004	40	5		JKBBRM
CCCc1nc(SC(=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408632143	569983472	/nfs/dbraw/zinc/98/34/72/569983472.db2.gz	NTMNDXIWKORUOG-BKUYFWCQSA-N	-1	0	477.546	5.195	40	5		JKBBRM
Cc1c(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000408632066	569983504	/nfs/dbraw/zinc/98/35/04/569983504.db2.gz	DAGQHNSLCXWUJV-OYKKKHCWSA-N	-1	0	484.537	6.000	40	5		JKBBRM
O=C([O-])/C(=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)Sc1nc2ccccc2o1	ZINC000408632400	569983716	/nfs/dbraw/zinc/98/37/16/569983716.db2.gz	FNPJUCMFQCVFMC-UDWIEESQSA-N	-1	0	484.942	6.758	40	5		JKBBRM
O=C([O-])/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632365	569983791	/nfs/dbraw/zinc/98/37/91/569983791.db2.gz	DZOAEILAARMNAS-WQRHYEAKSA-N	-1	0	469.862	5.776	40	5		JKBBRM
O=C([O-])/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Sc1nc2ccccc2o1	ZINC000408632946	569984166	/nfs/dbraw/zinc/98/41/66/569984166.db2.gz	HXZLFUKVWQYNSU-ZDLGFXPLSA-N	-1	0	487.287	5.976	40	5		JKBBRM
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(/Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-]	ZINC000408633248	569984331	/nfs/dbraw/zinc/98/43/31/569984331.db2.gz	JJOXKVWMGIGRSR-LDADJPATSA-N	-1	0	474.926	5.362	40	5		JKBBRM
COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])o1	ZINC000408633228	569984338	/nfs/dbraw/zinc/98/43/38/569984338.db2.gz	JDPJQCCPIQFXIR-ODLFYWEKSA-N	-1	0	498.904	5.520	40	5		JKBBRM
CCCc1nc(SC(=Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000408633413	569984460	/nfs/dbraw/zinc/98/44/60/569984460.db2.gz	YGBZPKYVFLRIRK-LDADJPATSA-N	-1	0	456.549	5.343	40	5		JKBBRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[O-])o1	ZINC000408633785	569984719	/nfs/dbraw/zinc/98/47/19/569984719.db2.gz	PJFBKUJFLRTGPD-ODLFYWEKSA-N	-1	0	499.888	5.785	40	5		JKBBRM
Cc1c(-c2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])o2)cccc1[N+](=O)[O-]	ZINC000408634064	569984934	/nfs/dbraw/zinc/98/49/34/569984934.db2.gz	OKAVIQIWAGJUKG-ODLFYWEKSA-N	-1	0	482.905	5.820	40	5		JKBBRM
Cc1cc(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])o2)cc([N+](=O)[O-])c1C	ZINC000408634436	569985163	/nfs/dbraw/zinc/98/51/63/569985163.db2.gz	REEPUWDBYCBUJZ-JAIQZWGSSA-N	-1	0	497.916	6.393	40	5		JKBBRM
O=C([O-])C(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634763	569985261	/nfs/dbraw/zinc/98/52/61/569985261.db2.gz	UCXBXUFXEZEOIZ-WQRHYEAKSA-N	-1	0	468.878	5.511	40	5		JKBBRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)[O-])n[nH]1	ZINC000408634737	569985308	/nfs/dbraw/zinc/98/53/08/569985308.db2.gz	XAZQYXXCQBTBKE-ODLFYWEKSA-N	-1	0	498.904	5.520	40	5		JKBBRM
O=C([O-])/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408634976	569985422	/nfs/dbraw/zinc/98/54/22/569985422.db2.gz	WAOHBUWCKUOUSE-CPNJWEJPSA-N	-1	0	486.937	5.506	40	5		JKBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccccc3Cl)sc2c1	ZINC000408749443	570033561	/nfs/dbraw/zinc/03/35/61/570033561.db2.gz	GVZMJUXYRSCSIG-UHFFFAOYSA-N	-1	0	499.957	6.101	40	5		JKBBRM
O=C([O-])c1c(C(=O)Nc2ccc3nc(SCc4ccccc4)sc3c2)cccc1[N+](=O)[O-]	ZINC000408751453	570034397	/nfs/dbraw/zinc/03/43/97/570034397.db2.gz	ZPPQFTXKYINEOI-UHFFFAOYSA-N	-1	0	465.512	5.447	40	5		JKBBRM
CCOc1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)[O-])c5)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000408992808	570094607	/nfs/dbraw/zinc/09/46/07/570094607.db2.gz	CDRFHNVSFABIAQ-UHFFFAOYSA-N	-1	0	482.448	5.313	40	5		JKBBRM
Cc1ccc(C)c(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000408992790	570094651	/nfs/dbraw/zinc/09/46/51/570094651.db2.gz	BZROQISQNAXTLM-UHFFFAOYSA-N	-1	0	466.449	5.531	40	5		JKBBRM
O=C([O-])c1cccc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc3ccccc3c2)C4=O)c1	ZINC000408995603	570095369	/nfs/dbraw/zinc/09/53/69/570095369.db2.gz	KERFNIGIAVIGRR-UHFFFAOYSA-N	-1	0	488.455	6.067	40	5		JKBBRM
Cc1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)[O-])c5)c([N+](=O)[O-])cc(c43)C2=O)cc1C	ZINC000408997408	570095538	/nfs/dbraw/zinc/09/55/38/570095538.db2.gz	OIPXRPZEFOLNHN-UHFFFAOYSA-N	-1	0	466.449	5.531	40	5		JKBBRM
O=C([O-])c1ccc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccc3ccccc3c2)C4=O)cc1	ZINC000408997567	570095724	/nfs/dbraw/zinc/09/57/24/570095724.db2.gz	HGHLODBFJUYIFL-UHFFFAOYSA-N	-1	0	488.455	6.067	40	5		JKBBRM
O=C([O-])c1cccc2c1N[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@@H]1Cc3ccccc3[C@@H]21	ZINC000409001654	570096480	/nfs/dbraw/zinc/09/64/80/570096480.db2.gz	PZUPIPOIQYRUCH-OZNIXHKMSA-N	-1	0	492.531	6.343	40	5		JKBBRM
O=C([O-])c1ccccc1[C@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1	ZINC000409116810	570134350	/nfs/dbraw/zinc/13/43/50/570134350.db2.gz	LUNDISUHPYFCNW-HHHXNRCGSA-N	-1	0	493.519	5.654	40	5		JKBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000409318333	570200666	/nfs/dbraw/zinc/20/06/66/570200666.db2.gz	VRTQRGKEGBDPNQ-BENRWUELSA-N	-1	0	459.458	5.097	40	5		JKBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000409327216	570202530	/nfs/dbraw/zinc/20/25/30/570202530.db2.gz	RKBIINBDFGCCID-DAXSKMNVSA-N	-1	0	478.288	5.251	40	5		JKBBRM
O=C([O-])C(=Cc1cc([N+](=O)[O-])ccc1N1CCCCCC1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634760	195481657	/nfs/dbraw/zinc/48/16/57/195481657.db2.gz	UBVOAKLGXBCYOV-XSFVSMFZSA-N	-1	0	499.980	5.632	40	5		JKBBRM
O=C([O-])/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408634831	195482153	/nfs/dbraw/zinc/48/21/53/195482153.db2.gz	VGQJUDQAXGCWFJ-PDGQHHTCSA-N	-1	0	468.878	5.307	40	5		JKBBRM
CCn1c(S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408635120	195483373	/nfs/dbraw/zinc/48/33/73/195483373.db2.gz	YZMYDHBVSVKEFS-ZHZULCJRSA-N	-1	0	495.948	5.535	40	5		JKBBRM
CC(C)(C)[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c2C1	ZINC000008870271	554764959	/nfs/dbraw/zinc/76/49/59/554764959.db2.gz	PLMOJASCBBUNBP-MRXNPFEDSA-N	-1	0	478.570	6.446	40	5		JKBBRM
O=C([O-])c1cc([N+](=O)[O-])c(Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1	ZINC000016492245	556141237	/nfs/dbraw/zinc/14/12/37/556141237.db2.gz	QXLYPIFGRRKXSZ-UHFFFAOYSA-N	-1	0	463.427	5.674	40	5		JKBBRM
O=[N+]([O-])c1cc([N+](=O)[O-])c(C(F)(F)F)cc1[N-]c1cc(C(F)(F)F)c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104092687	569840768	/nfs/dbraw/zinc/84/07/68/569840768.db2.gz	NVAIVPBZWLNGRV-UHFFFAOYSA-N	-1	0	485.209	5.101	40	5		JKBBRM
CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106700425	569854802	/nfs/dbraw/zinc/85/48/02/569854802.db2.gz	KAZQYOVLSUNJJK-APSNUPSMSA-N	-1	0	469.302	5.242	40	5		JKBBRM
O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1	ZINC000408606849	569971325	/nfs/dbraw/zinc/97/13/25/569971325.db2.gz	RJSXSBKAZVPWGJ-UHFFFAOYSA-N	-1	0	497.330	5.274	40	5		JKBBRM
CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408631171	569982816	/nfs/dbraw/zinc/98/28/16/569982816.db2.gz	CMNACFONLQVZGI-XSFVSMFZSA-N	-1	0	499.980	5.345	40	5		JKBBRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[O-])n[nH]1	ZINC000408631757	569983198	/nfs/dbraw/zinc/98/31/98/569983198.db2.gz	GESYKYOJEFUVJF-ODLFYWEKSA-N	-1	0	498.904	5.520	40	5		JKBBRM
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])o1	ZINC000408632017	569983459	/nfs/dbraw/zinc/98/34/59/569983459.db2.gz	CPQIJLLFDRGKCL-ODLFYWEKSA-N	-1	0	499.888	5.785	40	5		JKBBRM
COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])o1	ZINC000408632626	569983894	/nfs/dbraw/zinc/98/38/94/569983894.db2.gz	FYHPBDPVIVHTJN-ODLFYWEKSA-N	-1	0	498.904	5.520	40	5		JKBBRM
CCn1c(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408633316	569984394	/nfs/dbraw/zinc/98/43/94/569984394.db2.gz	JVOAACDQCQOGFR-MOSHPQCFSA-N	-1	0	496.932	6.004	40	5		JKBBRM
Cc1ccc(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])o2)cc1[N+](=O)[O-]	ZINC000408633710	569984693	/nfs/dbraw/zinc/98/46/93/569984693.db2.gz	LPYUIAKFTRBXBR-ODLFYWEKSA-N	-1	0	483.889	6.084	40	5		JKBBRM
Cc1ccc(Sc2ccc(/C=C(/Sc3nc4ccccc4o3)C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000408633734	569984697	/nfs/dbraw/zinc/98/46/97/569984697.db2.gz	LTIQPNUERXOGJF-FYJGNVAPSA-N	-1	0	464.524	6.413	40	5		JKBBRM
O=C([O-])/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1)Sc1nc2ccccc2o1	ZINC000408633909	569984832	/nfs/dbraw/zinc/98/48/32/569984832.db2.gz	NFRKWKVRIJNQED-DEDYPNTBSA-N	-1	0	450.497	6.105	40	5		JKBBRM
O=C([O-])C(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634785	569985289	/nfs/dbraw/zinc/98/52/89/569985289.db2.gz	UOGMCOIHJCZQJE-WQRHYEAKSA-N	-1	0	468.878	5.511	40	5		JKBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)[O-])o2)c1	ZINC000408634907	569985432	/nfs/dbraw/zinc/98/54/32/569985432.db2.gz	XWRWVQHZMPQJHF-NDENLUEZSA-N	-1	0	495.469	5.140	40	5		JKBBRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)[O-])o1	ZINC000408635231	569985719	/nfs/dbraw/zinc/98/57/19/569985719.db2.gz	ZKWICLGRCALSTB-UNOMPAQXSA-N	-1	0	498.904	5.315	40	5		JKBBRM
COc1ccc(CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)[O-])cc3s2)cc1	ZINC000408750191	570033884	/nfs/dbraw/zinc/03/38/84/570033884.db2.gz	LKRXTYMGMDCOIY-UHFFFAOYSA-N	-1	0	495.538	5.456	40	5		JKBBRM
O=C([O-])c1c(C(=O)Nc2ccc3nc(SCC(=O)c4ccccc4)sc3c2)cccc1[N+](=O)[O-]	ZINC000408750356	570033975	/nfs/dbraw/zinc/03/39/75/570033975.db2.gz	LTGFOUSONAPWGE-UHFFFAOYSA-N	-1	0	493.522	5.130	40	5		JKBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1	ZINC000408750717	570034090	/nfs/dbraw/zinc/03/40/90/570034090.db2.gz	QVLAHAOVWDFEKF-UHFFFAOYSA-N	-1	0	493.522	5.130	40	5		JKBBRM
O=C([O-])c1cccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1	ZINC000408755275	570035381	/nfs/dbraw/zinc/03/53/81/570035381.db2.gz	CSLKOUZVVLYQGY-UHFFFAOYSA-N	-1	0	487.855	5.644	40	5		JKBBRM
O=C([O-])c1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000408757386	570035812	/nfs/dbraw/zinc/03/58/12/570035812.db2.gz	MTVKMPXTOVMFKR-UHFFFAOYSA-N	-1	0	487.855	5.644	40	5		JKBBRM
O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000408960900	570085898	/nfs/dbraw/zinc/08/58/98/570085898.db2.gz	POEWZZZUEBTUPV-XKZIYDEJSA-N	-1	0	490.493	5.109	40	5		JKBBRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1	ZINC000408984232	570091715	/nfs/dbraw/zinc/09/17/15/570091715.db2.gz	MDZLZHSPWMRAHB-UHFFFAOYSA-N	-1	0	499.957	6.101	40	5		JKBBRM
CCOc1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)[O-])cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000408996227	570095455	/nfs/dbraw/zinc/09/54/55/570095455.db2.gz	LOZBQFCPDIATDS-UHFFFAOYSA-N	-1	0	482.448	5.313	40	5		JKBBRM
CCc1ccccc1N1C(=O)c2cccc3c(-c4cccc(C(=O)[O-])c4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000409002602	570096724	/nfs/dbraw/zinc/09/67/24/570096724.db2.gz	VOSWUTUMRDRBFQ-UHFFFAOYSA-N	-1	0	466.449	5.476	40	5		JKBBRM
CCOC(=O)c1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc2c1CC[C@@H](C(C)(C)C)C2	ZINC000409059239	570113258	/nfs/dbraw/zinc/11/32/58/570113258.db2.gz	VRMZOSHBBGMNAT-CQSZACIVSA-N	-1	0	480.608	5.093	40	5		JKBBRM
Cc1noc([N-]S(=O)(=O)c2ccc(NCc3c4ccccc4nc4cc(Cl)ccc43)cc2)c1C	ZINC000005614311	526640771	/nfs/dbraw/zinc/64/07/71/526640771.db2.gz	CFEOHMPNPADFAA-UHFFFAOYSA-N	-1	0	492.988	6.059	40	5		JKBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	ZINC000001719573	553984687	/nfs/dbraw/zinc/98/46/87/553984687.db2.gz	CGNQQFGZUXCJTK-UHFFFAOYSA-N	-1	0	495.447	5.692	40	5		JKBBRM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)c2ccccc21	ZINC000005395374	554489678	/nfs/dbraw/zinc/48/96/78/554489678.db2.gz	WUHMCPSLEHYAQN-UHFFFAOYSA-N	-1	0	476.681	5.417	40	5		JKBBRM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1	ZINC000016492253	556141244	/nfs/dbraw/zinc/14/12/44/556141244.db2.gz	JMHTVUYBPXHGIW-UHFFFAOYSA-N	-1	0	463.427	5.674	40	5		JKBBRM
CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21	ZINC000016779769	556159586	/nfs/dbraw/zinc/15/95/86/556159586.db2.gz	FWNFMLWEEVYUNQ-UHFFFAOYSA-N	-1	0	463.515	5.159	40	5		JKBBRM
CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21	ZINC000016807621	556162343	/nfs/dbraw/zinc/16/23/43/556162343.db2.gz	ZMJZDYZREUTUDZ-UHFFFAOYSA-N	-1	0	463.515	5.159	40	5		JKBBRM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116766	556425112	/nfs/dbraw/zinc/42/51/12/556425112.db2.gz	LRCDKGKHLQDZTH-RUDMXATFSA-N	-1	0	480.274	5.523	40	5		JKBBRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccc([N+](=O)[O-])cc1	ZINC000032116802	556425459	/nfs/dbraw/zinc/42/54/59/556425459.db2.gz	OPOTYIWVMBGCSI-UHFFFAOYSA-N	-1	0	454.236	5.123	40	5		JKBBRM
C/C(=C\C(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)C(=O)[O-]	ZINC000211511519	569876133	/nfs/dbraw/zinc/87/61/33/569876133.db2.gz	CULOKHKCEUPFHZ-POICXBNUSA-N	-1	0	491.525	5.036	40	5		JKBBRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000408631824	569983182	/nfs/dbraw/zinc/98/31/82/569983182.db2.gz	LYFMZOWHDOOVPX-UNOMPAQXSA-N	-1	0	497.920	5.050	40	5		JKBBRM
O=C([O-])C(=Cc1c2ccccc2cc2ccccc21)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408631684	569983214	/nfs/dbraw/zinc/98/32/14/569983214.db2.gz	AJRRWGFWQKYTDM-HMAPJEAMSA-N	-1	0	457.942	6.649	40	5		JKBBRM
O=C([O-])/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)Sc1nc2ccccc2[nH]1	ZINC000408632325	569983571	/nfs/dbraw/zinc/98/35/71/569983571.db2.gz	DJSVUUORBGHEAK-QRVIBDJDSA-N	-1	0	470.510	5.692	40	5		JKBBRM
CCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)[O-])n[nH]1	ZINC000408632507	569983815	/nfs/dbraw/zinc/98/38/15/569983815.db2.gz	QOTUIROHNSLEGW-MHWRWJLKSA-N	-1	0	462.940	5.298	40	5		JKBBRM
CCc1nnc(S/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)[O-])o1	ZINC000408632862	569984043	/nfs/dbraw/zinc/98/40/43/569984043.db2.gz	UISQGZNOLGJNBK-RZNTYIFUSA-N	-1	0	456.263	5.325	40	5		JKBBRM
O=C([O-])C(=Cc1cccn1-c1cccc([N+](=O)[O-])c1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632698	569984077	/nfs/dbraw/zinc/98/40/77/569984077.db2.gz	HBOMDEYLKYCNNO-PDGQHHTCSA-N	-1	0	467.894	5.042	40	5		JKBBRM
COc1ccc(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000408633236	569984312	/nfs/dbraw/zinc/98/43/12/569984312.db2.gz	JFCKGCAYCGAEEQ-ODLFYWEKSA-N	-1	0	499.888	5.785	40	5		JKBBRM
O=C([O-])/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Sc1nc2ccccc2[nH]1	ZINC000408633431	569984520	/nfs/dbraw/zinc/98/45/20/569984520.db2.gz	KMVPTFSUHDGGJL-ZDLGFXPLSA-N	-1	0	486.303	5.711	40	5		JKBBRM
COc1ccc(-c2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000408633928	569984805	/nfs/dbraw/zinc/98/48/05/569984805.db2.gz	NRCLAAHAMADGRF-ODLFYWEKSA-N	-1	0	498.904	5.520	40	5		JKBBRM
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000408633940	569984825	/nfs/dbraw/zinc/98/48/25/569984825.db2.gz	NYFPCKQOADMINP-UUYOSTAYSA-N	-1	0	477.498	5.277	40	5		JKBBRM
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C(/Sc2nc3ccccc3o2)C(=O)[O-])cc1	ZINC000408634072	569984932	/nfs/dbraw/zinc/98/49/32/569984932.db2.gz	OOZSDZPTFIHPGM-FYJGNVAPSA-N	-1	0	464.524	6.413	40	5		JKBBRM
Cc1ccc(-c2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])o2)cc1[N+](=O)[O-]	ZINC000408634415	569985186	/nfs/dbraw/zinc/98/51/86/569985186.db2.gz	QXAYZKHMINBRRH-ODLFYWEKSA-N	-1	0	482.905	5.820	40	5		JKBBRM
CCn1c(S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634649	569985252	/nfs/dbraw/zinc/98/52/52/569985252.db2.gz	TWTQAUAZHMIUNV-MOSHPQCFSA-N	-1	0	496.932	6.004	40	5		JKBBRM
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408635198	569985513	/nfs/dbraw/zinc/98/55/13/569985513.db2.gz	XZDADVNNSQTOLY-XKZIYDEJSA-N	-1	0	477.498	5.277	40	5		JKBBRM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000408749135	570033460	/nfs/dbraw/zinc/03/34/60/570033460.db2.gz	DRZUJCGENJFHHZ-IRXDYDNUSA-N	-1	0	471.560	5.326	40	5		JKBBRM
COc1ccc(CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)[O-])cc3s2)cc1	ZINC000408751204	570034409	/nfs/dbraw/zinc/03/44/09/570034409.db2.gz	XSINZXYNOOQFAF-UHFFFAOYSA-N	-1	0	495.538	5.456	40	5		JKBBRM
Cc1ccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)[O-])c5)c([N+](=O)[O-])cc(c43)C2=O)cc1	ZINC000408995824	570095318	/nfs/dbraw/zinc/09/53/18/570095318.db2.gz	NQDFIDJIZHUOCQ-UHFFFAOYSA-N	-1	0	452.422	5.222	40	5		JKBBRM
Cc1cccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)[O-])cc5)c([N+](=O)[O-])cc(c43)C2=O)c1	ZINC000408996077	570095352	/nfs/dbraw/zinc/09/53/52/570095352.db2.gz	NXYCPSGNYOWSMV-UHFFFAOYSA-N	-1	0	452.422	5.222	40	5		JKBBRM
CCc1ccccc1N1C(=O)c2cccc3c(-c4ccc(C(=O)[O-])cc4)c([N+](=O)[O-])cc(c23)C1=O	ZINC000408996471	570095480	/nfs/dbraw/zinc/09/54/80/570095480.db2.gz	PJEUCTDPLQIZMN-UHFFFAOYSA-N	-1	0	466.449	5.476	40	5		JKBBRM
O=C([O-])c1ccc(N2C(=O)c3cccc4c(Nc5ccccc5Cl)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000408997678	570095734	/nfs/dbraw/zinc/09/57/34/570095734.db2.gz	SIPNDCXPYBYJTM-UHFFFAOYSA-N	-1	0	487.855	5.644	40	5		JKBBRM
O=C([O-])c1ccccc1[C@@H]1N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N1Cc1ccccc1	ZINC000409116812	570134340	/nfs/dbraw/zinc/13/43/40/570134340.db2.gz	LUNDISUHPYFCNW-MHZLTWQESA-N	-1	0	493.519	5.654	40	5		JKBBRM
O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12	ZINC000001717024	194131969	/nfs/dbraw/zinc/13/19/69/194131969.db2.gz	CNGJUUUZGJBLCO-UHFFFAOYSA-N	-1	0	467.524	7.764	40	5		JKBBRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)[O-])o1	ZINC000408634531	195480899	/nfs/dbraw/zinc/48/08/99/195480899.db2.gz	VWKYLODKRAOGRL-ODLFYWEKSA-N	-1	0	499.888	5.785	40	5		JKBBRM
O=C([O-])/C(=C/c1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1)Sc1nc2ccccc2[nH]1	ZINC000408635165	195483600	/nfs/dbraw/zinc/48/36/00/195483600.db2.gz	XMIYDOULDJOQTA-WSVATBPTSA-N	-1	0	476.297	6.256	40	5		JKBBRM
O=S(=O)([N-]c1ncccn1)c1ccc(NCc2c3ccccc3nc3cc(Cl)ccc32)cc1	ZINC000005614304	527258357	/nfs/dbraw/zinc/25/83/57/527258357.db2.gz	FLMBEJGAYROJRM-UHFFFAOYSA-N	-1	0	475.961	5.244	40	5		JKBBRM
CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc(S(=O)(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000001761766	553986204	/nfs/dbraw/zinc/98/62/04/553986204.db2.gz	COKQWQHJVNJFKM-UHFFFAOYSA-N	-1	0	451.541	5.013	40	5		JKBBRM
CC1CCN(c2ccc(C(=O)Nc3cc(C(=O)[O-])c(Cl)cc3Cl)cc2[N+](=O)[O-])CC1	ZINC000020142624	555663519	/nfs/dbraw/zinc/66/35/19/555663519.db2.gz	HSWPJTBRVMKEBT-UHFFFAOYSA-N	-1	0	452.294	5.088	40	5		JKBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1	ZINC000020151000	555667680	/nfs/dbraw/zinc/66/76/80/555667680.db2.gz	IOCOSQOQSRWMEJ-VMPITWQZSA-N	-1	0	456.838	5.175	40	5		JKBBRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2Cl)c1	ZINC000014153634	555710064	/nfs/dbraw/zinc/71/00/64/555710064.db2.gz	BELHANDDGANEAU-UHFFFAOYSA-N	-1	0	473.938	5.227	40	5		JKBBRM
Cc1ccc(-c2ccc(/C=C/c3cc(C(=O)[O-])c4cc(Br)ccc4n3)o2)c([N+](=O)[O-])c1	ZINC000028356106	556331926	/nfs/dbraw/zinc/33/19/26/556331926.db2.gz	QNPNJOMDZDKQJF-SNAWJCMRSA-N	-1	0	479.286	6.343	40	5		JKBBRM
Cc1cc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)ccc1[N+](=O)[O-]	ZINC000032116569	556424227	/nfs/dbraw/zinc/42/42/27/556424227.db2.gz	YZEGZDSYUBAMRX-UHFFFAOYSA-N	-1	0	468.263	5.432	40	5		JKBBRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000032116603	556424542	/nfs/dbraw/zinc/42/45/42/556424542.db2.gz	VRUFWJCGSRJUDY-UHFFFAOYSA-N	-1	0	482.084	5.338	40	5		JKBBRM
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(Br)c([O-])c(Br)c1	ZINC000032116792	556425147	/nfs/dbraw/zinc/42/51/47/556425147.db2.gz	HGUHZABUHILUBW-DUXPYHPUSA-N	-1	0	476.508	5.131	40	5		JKBBRM
O=C([O-])c1cc(-c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)nc2ccc3ccccc3c21	ZINC000059639198	569607159	/nfs/dbraw/zinc/60/71/59/569607159.db2.gz	YHWUJLRWHJSWQC-UHFFFAOYSA-N	-1	0	468.723	7.973	40	5		JKBBRM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]N(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000100359560	569757950	/nfs/dbraw/zinc/75/79/50/569757950.db2.gz	XBBSJCPHGTXXHU-UHFFFAOYSA-N	-1	0	464.221	5.883	40	5		JKBBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)o1	ZINC000106727157	569855163	/nfs/dbraw/zinc/85/51/63/569855163.db2.gz	ZNTVYQKKTNDYAJ-JAIQZWGSSA-N	-1	0	464.455	5.098	40	5		JKBBRM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1Cl	ZINC000106729217	569855218	/nfs/dbraw/zinc/85/52/18/569855218.db2.gz	HWTCAQLTHRQRTF-GRSHGNNSSA-N	-1	0	484.873	5.443	40	5		JKBBRM
O=C([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000408602601	569969518	/nfs/dbraw/zinc/96/95/18/569969518.db2.gz	ADAOAVJROWVORG-UHFFFAOYSA-N	-1	0	457.280	5.247	40	5		JKBBRM
O=C([O-])C(=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408631742	569983233	/nfs/dbraw/zinc/98/32/33/569983233.db2.gz	BLOSTCUWZLTYKR-CPNJWEJPSA-N	-1	0	485.953	5.241	40	5		JKBBRM
O=C([O-])/C(=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)Sc1nc2ccccc2[nH]1	ZINC000408632704	569984061	/nfs/dbraw/zinc/98/40/61/569984061.db2.gz	HFMLBQRCEBHORR-UDWIEESQSA-N	-1	0	483.958	6.494	40	5		JKBBRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2c3ccccc3cc3ccccc32)C(=O)[O-])n[nH]1	ZINC000408632879	569984214	/nfs/dbraw/zinc/98/42/14/569984214.db2.gz	UPHKBACSZIVYJT-UCQKPKSFSA-N	-1	0	487.968	6.658	40	5		JKBBRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[O-])n[nH]1	ZINC000408633593	569984618	/nfs/dbraw/zinc/98/46/18/569984618.db2.gz	OBDJFNKMFHYKJD-ODLFYWEKSA-N	-1	0	498.904	5.520	40	5		JKBBRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)[O-])o1	ZINC000408634205	569985062	/nfs/dbraw/zinc/98/50/62/569985062.db2.gz	SAPOLCVNRUYYNO-UNOMPAQXSA-N	-1	0	498.904	5.315	40	5		JKBBRM
O=C([O-])C(=Cc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634964	569985440	/nfs/dbraw/zinc/98/54/40/569985440.db2.gz	VWAOGURWFQQSDQ-ZDLGFXPLSA-N	-1	0	486.868	5.650	40	5		JKBBRM
Cc1cccc(CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)[O-])cc3s2)c1	ZINC000408749110	570033479	/nfs/dbraw/zinc/03/34/79/570033479.db2.gz	DNVDGIJQRZNKNN-UHFFFAOYSA-N	-1	0	479.539	5.756	40	5		JKBBRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000408749134	570033488	/nfs/dbraw/zinc/03/34/88/570033488.db2.gz	DRZUJCGENJFHHZ-IAGOWNOFSA-N	-1	0	471.560	5.326	40	5		JKBBRM
O=C([O-])c1cccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c1	ZINC000408754986	570035389	/nfs/dbraw/zinc/03/53/89/570035389.db2.gz	AYLUPPPEGAQNHQ-UHFFFAOYSA-N	-1	0	487.855	5.644	40	5		JKBBRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000226767626	570038393	/nfs/dbraw/zinc/03/83/93/570038393.db2.gz	ZLPFQSGTGSNWIF-UHFFFAOYSA-N	-1	0	469.247	5.267	40	5		JKBBRM
Cc1ccc(C)c(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3cccc(C(=O)[O-])c3)C2=O)c1	ZINC000408993113	570094721	/nfs/dbraw/zinc/09/47/21/570094721.db2.gz	CNVVWACXNOJAIA-UHFFFAOYSA-N	-1	0	466.449	5.531	40	5		JKBBRM
Cc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3cccc(C(=O)[O-])c3)C2=O)c(C)c1	ZINC000408994234	570094965	/nfs/dbraw/zinc/09/49/65/570094965.db2.gz	YJKYSRFRGXADJS-UHFFFAOYSA-N	-1	0	466.449	5.531	40	5		JKBBRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2	ZINC000408995306	570095185	/nfs/dbraw/zinc/09/51/85/570095185.db2.gz	LYCMUJXLNSTRDX-FGUUHEIUSA-N	-1	0	492.531	6.343	40	5		JKBBRM
Cc1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)[O-])cc5)c([N+](=O)[O-])cc(c43)C2=O)cc1	ZINC000408996176	570095444	/nfs/dbraw/zinc/09/54/44/570095444.db2.gz	OMBLEENOPBDNQG-UHFFFAOYSA-N	-1	0	452.422	5.222	40	5		JKBBRM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000409328833	570203214	/nfs/dbraw/zinc/20/32/14/570203214.db2.gz	BIPIXDWYAXQFMI-YVMONPNESA-N	-1	0	478.288	5.251	40	5		JKBBRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[O-])o1	ZINC000408634268	195479858	/nfs/dbraw/zinc/47/98/58/195479858.db2.gz	SXLGQUTVSRHBDC-ODLFYWEKSA-N	-1	0	499.888	5.785	40	5		JKBBRM
O=C([O-])/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)Sc1nc2ccccc2[nH]1	ZINC000408634787	195481875	/nfs/dbraw/zinc/48/18/75/195481875.db2.gz	UOQXNUMVYDOMSU-UDWIEESQSA-N	-1	0	483.958	6.494	40	5		JKBBRM
Cc1cc([N-]S(=O)(=O)c2ccc(NCc3c4ccccc4nc4cc(Cl)ccc43)cc2)no1	ZINC000005614313	525288067	/nfs/dbraw/zinc/28/80/67/525288067.db2.gz	XEIOFZQOYFCZBS-UHFFFAOYSA-N	-1	0	478.961	5.751	40	5		JKBBRM
O=C([O-])c1cc(Br)ccc1NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	ZINC000018042266	526343209	/nfs/dbraw/zinc/34/32/09/526343209.db2.gz	RVNHGHFXNJFFOB-UHFFFAOYSA-N	-1	0	457.236	5.100	40	5		JKBBRM
O=C([O-])c1ccc(-c2nc3c([nH]2)c2ccccc2c2ccc(I)cc32)cc1	ZINC000006446941	526359411	/nfs/dbraw/zinc/35/94/11/526359411.db2.gz	CIYNUCQFDIVCLD-UHFFFAOYSA-N	-1	0	464.262	5.839	40	5		JKBBRM
O=S(=O)([N-]c1nccs1)c1ccc(NCc2c3ccccc3nc3cc(Cl)ccc32)cc1	ZINC000005614310	527258671	/nfs/dbraw/zinc/25/86/71/527258671.db2.gz	SLJHUIGAQAPNKN-UHFFFAOYSA-N	-1	0	481.002	5.911	40	5		JKBBRM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1	ZINC000008810600	554690940	/nfs/dbraw/zinc/69/09/40/554690940.db2.gz	PBULIXLMJJOIPQ-UHFFFAOYSA-N	-1	0	498.319	5.402	40	5		JKBBRM
COc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)[O-])c(Cl)cc3Cl)o2)c([N+](=O)[O-])c1	ZINC000020140635	555663195	/nfs/dbraw/zinc/66/31/95/555663195.db2.gz	LSOZXPWIXAPQDO-UHFFFAOYSA-N	-1	0	451.218	5.121	40	5		JKBBRM
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3[O-])o2)cc1Cl	ZINC000022564704	555935549	/nfs/dbraw/zinc/93/55/49/555935549.db2.gz	ABOZXWUNWYFUNW-RMKNXTFCSA-N	-1	0	457.895	5.049	40	5		JKBBRM
CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21	ZINC000016807707	556162426	/nfs/dbraw/zinc/16/24/26/556162426.db2.gz	HPFPYEBEHHBDIW-UHFFFAOYSA-N	-1	0	477.542	5.467	40	5		JKBBRM
O=C([O-])c1cc(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccc(Br)cc21	ZINC000028355965	556332018	/nfs/dbraw/zinc/33/20/18/556332018.db2.gz	PLJXILABNHYYHD-QPJJXVBHSA-N	-1	0	465.259	6.034	40	5		JKBBRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000032116658	556424429	/nfs/dbraw/zinc/42/44/29/556424429.db2.gz	BKQVTKRZXKYKKF-UHFFFAOYSA-N	-1	0	488.681	5.777	40	5		JKBBRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000032116683	556424863	/nfs/dbraw/zinc/42/48/63/556424863.db2.gz	DZPHUQGYAHXQQI-UHFFFAOYSA-N	-1	0	488.681	5.777	40	5		JKBBRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000032116767	556425168	/nfs/dbraw/zinc/42/51/68/556425168.db2.gz	VBYKLHKLDLTPGO-UHFFFAOYSA-N	-1	0	499.233	5.032	40	5		JKBBRM
O=C([O-])CCCCCCCCCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34	ZINC000034902789	569670024	/nfs/dbraw/zinc/67/00/24/569670024.db2.gz	GPYFUJLNVWPRNX-UHFFFAOYSA-N	-1	0	465.615	6.458	40	5		JKBBRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408607301	569971487	/nfs/dbraw/zinc/97/14/87/569971487.db2.gz	JSQIMNUSNLACJP-UHFFFAOYSA-N	-1	0	453.407	5.004	40	5		JKBBRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408607316	569971492	/nfs/dbraw/zinc/97/14/92/569971492.db2.gz	JWDWHEONFQNTBU-UHFFFAOYSA-N	-1	0	496.825	6.378	40	5		JKBBRM
CCc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)[O-])o1	ZINC000408631515	569983102	/nfs/dbraw/zinc/98/31/02/569983102.db2.gz	JXBWMBAJXCIORB-MHWRWJLKSA-N	-1	0	463.924	5.563	40	5		JKBBRM
CCc1nc(SC(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000408633381	569984409	/nfs/dbraw/zinc/98/44/09/569984409.db2.gz	YAQWOTKQWAZGNN-MHWRWJLKSA-N	-1	0	462.940	5.298	40	5		JKBBRM
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C(=O)[O-])n[nH]1	ZINC000408633281	569984490	/nfs/dbraw/zinc/98/44/90/569984490.db2.gz	XMCWGCFGCZHGOP-GZTJUZNOSA-N	-1	0	476.967	5.688	40	5		JKBBRM
CCn1c(S/C(=C\c2c3ccccc3cc3ccccc32)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634146	569985026	/nfs/dbraw/zinc/98/50/26/569985026.db2.gz	PQRNIERCCQEKFH-JLPGSUDCSA-N	-1	0	485.996	7.143	40	5		JKBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3c4ccccc4cc4ccccc43)C(=O)[O-])n[nH]2)c1	ZINC000408634685	569985315	/nfs/dbraw/zinc/98/53/15/569985315.db2.gz	WLRFEXNKQIZFKO-IWIPYMOSSA-N	-1	0	483.549	6.013	40	5		JKBBRM
COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408635040	569985534	/nfs/dbraw/zinc/98/55/34/569985534.db2.gz	XCNKEIRYSUCGRI-XKZIYDEJSA-N	-1	0	478.482	5.541	40	5		JKBBRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2c3ccccc3cc3ccccc32)C(=O)[O-])o1	ZINC000408635113	569985561	/nfs/dbraw/zinc/98/55/61/569985561.db2.gz	YXAHVEZHQCWABM-UCQKPKSFSA-N	-1	0	488.952	6.923	40	5		JKBBRM
O=C([O-])c1c(C(=O)Nc2ccc3nc(SCc4ccccc4Cl)sc3c2)cccc1[N+](=O)[O-]	ZINC000408748996	570033472	/nfs/dbraw/zinc/03/34/72/570033472.db2.gz	DJGDZRWYLYWTDG-UHFFFAOYSA-N	-1	0	499.957	6.101	40	5		JKBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1	ZINC000408750399	570033928	/nfs/dbraw/zinc/03/39/28/570033928.db2.gz	MJQWVYAZPMJANK-UHFFFAOYSA-N	-1	0	499.957	6.101	40	5		JKBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3cccc(F)c3)sc2c1	ZINC000408751276	570034393	/nfs/dbraw/zinc/03/43/93/570034393.db2.gz	YTOCCLPBUDYZCA-UHFFFAOYSA-N	-1	0	483.502	5.586	40	5		JKBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1	ZINC000408751250	570034405	/nfs/dbraw/zinc/03/44/05/570034405.db2.gz	YHOUPHVWBBMWNG-UHFFFAOYSA-N	-1	0	483.502	5.586	40	5		JKBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1	ZINC000408751472	570034423	/nfs/dbraw/zinc/03/44/23/570034423.db2.gz	ZUDUMKAGFTZPOX-UHFFFAOYSA-N	-1	0	465.512	5.447	40	5		JKBBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)o1	ZINC000408960166	570085511	/nfs/dbraw/zinc/08/55/11/570085511.db2.gz	CWQHXDSUQABDIX-JAIQZWGSSA-N	-1	0	464.455	5.098	40	5		JKBBRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2	ZINC000408995307	570095240	/nfs/dbraw/zinc/09/52/40/570095240.db2.gz	LYCMUJXLNSTRDX-PIZZNKLWSA-N	-1	0	492.531	6.343	40	5		JKBBRM
Cc1ccc(N2C(=O)c3cccc4c(-c5ccc(C(=O)[O-])cc5)c([N+](=O)[O-])cc(c43)C2=O)cc1C	ZINC000408998475	570095817	/nfs/dbraw/zinc/09/58/17/570095817.db2.gz	UPIPKKPAFHNRKZ-UHFFFAOYSA-N	-1	0	466.449	5.531	40	5		JKBBRM
Cc1ccccc1N1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2cccc(C(=O)[O-])c2)C1=O	ZINC000408998930	570095937	/nfs/dbraw/zinc/09/59/37/570095937.db2.gz	JKQORZPMCSVRJH-UHFFFAOYSA-N	-1	0	452.422	5.222	40	5		JKBBRM
Cc1ccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(C(=O)[O-])cc3)C2=O)c(C)c1	ZINC000409002674	570096719	/nfs/dbraw/zinc/09/67/19/570096719.db2.gz	WCSYVVFRFVKIJA-UHFFFAOYSA-N	-1	0	466.449	5.531	40	5		JKBBRM
CCOC(=O)c1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc2c1CC[C@H](C(C)(C)C)C2	ZINC000409059237	570113261	/nfs/dbraw/zinc/11/32/61/570113261.db2.gz	VRMZOSHBBGMNAT-AWEZNQCLSA-N	-1	0	480.608	5.093	40	5		JKBBRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2Cl)c(C)c1	ZINC000408547688	570193795	/nfs/dbraw/zinc/19/37/95/570193795.db2.gz	LIRVBFYADBWESP-UHFFFAOYSA-N	-1	0	473.938	5.227	40	5		JKBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	ZINC000409310048	570198960	/nfs/dbraw/zinc/19/89/60/570198960.db2.gz	PPHFOSPGPFUARW-CLTKARDFSA-N	-1	0	478.288	5.251	40	5		JKBBRM
O=c1[nH]c(C=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)nc([O-])c1[N+](=O)[O-]	ZINC000409329819	570203571	/nfs/dbraw/zinc/20/35/71/570203571.db2.gz	GYUDOQXAWLAYHM-VURMDHGXSA-N	-1	0	457.273	5.276	40	5		JKBBRM
COc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)cc1[N+](=O)[O-]	ZINC000059417545	195399822	/nfs/dbraw/zinc/39/98/22/195399822.db2.gz	HRHOBSHVDBWXFQ-UHFFFAOYSA-N	-1	0	495.538	5.456	40	5		JKBBRM
O=C([O-])c1cc(-c2cc(Cl)ccc2OCc2c(F)cccc2Cl)nc2ccc3ccccc3c21	ZINC000059639315	195410957	/nfs/dbraw/zinc/41/09/57/195410957.db2.gz	GHVKASUTHAZNLX-UHFFFAOYSA-N	-1	0	492.333	7.778	40	5		JKBBRM
O=C([O-])c1cc(-c2cn(Cc3c(F)cccc3Cl)c3ccccc23)nc2ccc3ccccc3c21	ZINC000016526068	526342392	/nfs/dbraw/zinc/34/23/92/526342392.db2.gz	ISURVPXRZSPYAA-UHFFFAOYSA-N	-1	0	480.926	7.549	40	5		JKBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1F)c1ccc(Cl)cc1Cl	ZINC000008810571	554690982	/nfs/dbraw/zinc/69/09/82/554690982.db2.gz	UYHFAMRWTUZWNF-UHFFFAOYSA-N	-1	0	484.292	5.094	40	5		JKBBRM
Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c(C)c1	ZINC000013811085	555626805	/nfs/dbraw/zinc/62/68/05/555626805.db2.gz	XRNUNXKWWYCCAH-VABKMULXSA-N	-1	0	495.894	5.055	40	5		JKBBRM
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)CC1	ZINC000020142818	555663846	/nfs/dbraw/zinc/66/38/46/555663846.db2.gz	FTLCNIQJDSQVJR-UHFFFAOYSA-N	-1	0	452.294	5.088	40	5		JKBBRM
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21	ZINC000016779773	556159578	/nfs/dbraw/zinc/15/95/78/556159578.db2.gz	MUJJHXMWKWXRLH-UHFFFAOYSA-N	-1	0	493.541	5.133	40	5		JKBBRM
CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c(C)c2C	ZINC000016807645	556162399	/nfs/dbraw/zinc/16/23/99/556162399.db2.gz	RSRLMIWKLZBEOH-UHFFFAOYSA-N	-1	0	491.569	5.776	40	5		JKBBRM
COc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1[N+](=O)[O-]	ZINC000032116499	556423875	/nfs/dbraw/zinc/42/38/75/556423875.db2.gz	ZUBFVVNVFYRPMS-UHFFFAOYSA-N	-1	0	484.262	5.132	40	5		JKBBRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000032116697	556424848	/nfs/dbraw/zinc/42/48/48/556424848.db2.gz	IBJFJNSBQBGTEG-UHFFFAOYSA-N	-1	0	488.681	5.777	40	5		JKBBRM
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000037090556	569781342	/nfs/dbraw/zinc/78/13/42/569781342.db2.gz	GRORJOBVRANNMP-XBXARRHUSA-N	-1	0	478.313	5.394	40	5		JKBBRM
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000037090559	569781360	/nfs/dbraw/zinc/78/13/60/569781360.db2.gz	VSHGUABCMAIMIE-ZZXKWVIFSA-N	-1	0	478.313	5.394	40	5		JKBBRM
CCOc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106718029	569855011	/nfs/dbraw/zinc/85/50/11/569855011.db2.gz	COXBYPBRYRDLIJ-PXNMLYILSA-N	-1	0	469.302	5.242	40	5		JKBBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)o1	ZINC000106745167	569855437	/nfs/dbraw/zinc/85/54/37/569855437.db2.gz	LKMCLIIIOLTPAM-JAIQZWGSSA-N	-1	0	464.455	5.098	40	5		JKBBRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408607376	569971519	/nfs/dbraw/zinc/97/15/19/569971519.db2.gz	KIXDURCFMBILBW-UHFFFAOYSA-N	-1	0	476.407	6.115	40	5		JKBBRM
CCc1nc(SC(=Cc2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)[O-])n[nH]1	ZINC000408631200	569982805	/nfs/dbraw/zinc/98/28/05/569982805.db2.gz	GALPUWNHTXQQKC-RZNTYIFUSA-N	-1	0	455.279	5.060	40	5		JKBBRM
O=C([O-])C(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408631702	569983212	/nfs/dbraw/zinc/98/32/12/569983212.db2.gz	AQHARRDVDHHOKA-WQRHYEAKSA-N	-1	0	468.878	5.511	40	5		JKBBRM
O=C([O-])/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632348	569983626	/nfs/dbraw/zinc/98/36/26/569983626.db2.gz	DQICDEBRTNXZSG-WQRHYEAKSA-N	-1	0	469.862	5.776	40	5		JKBBRM
CCn1c(S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408632527	569983933	/nfs/dbraw/zinc/98/39/33/569983933.db2.gz	JLALOYISFWQTKK-ZHZULCJRSA-N	-1	0	495.948	5.535	40	5		JKBBRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)[O-])n[nH]1	ZINC000408632886	569984125	/nfs/dbraw/zinc/98/41/25/569984125.db2.gz	UQZPVIBFKJMHAF-UNOMPAQXSA-N	-1	0	497.920	5.050	40	5		JKBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3c4ccccc4cc4ccccc43)C(=O)[O-])o2)c1	ZINC000408633501	569984589	/nfs/dbraw/zinc/98/45/89/569984589.db2.gz	NKVKMRNNPDBAOG-IWIPYMOSSA-N	-1	0	484.533	6.278	40	5		JKBBRM
O=C([O-])/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408633655	569984730	/nfs/dbraw/zinc/98/47/30/569984730.db2.gz	LGAUOTPOBHHRNY-LDADJPATSA-N	-1	0	472.910	5.116	40	5		JKBBRM
CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408633893	569984845	/nfs/dbraw/zinc/98/48/45/569984845.db2.gz	MWKSBIPGUIMMMM-UCQKPKSFSA-N	-1	0	492.509	5.932	40	5		JKBBRM
COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000408634071	569984930	/nfs/dbraw/zinc/98/49/30/569984930.db2.gz	OOLHMXMITGZXRY-UUYOSTAYSA-N	-1	0	478.482	5.541	40	5		JKBBRM
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])o1	ZINC000408634778	569985296	/nfs/dbraw/zinc/98/52/96/569985296.db2.gz	UKZMNHJVVPEOHP-ODLFYWEKSA-N	-1	0	499.888	5.785	40	5		JKBBRM
O=C([O-])c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1	ZINC000408755813	570035496	/nfs/dbraw/zinc/03/54/96/570035496.db2.gz	FXWMGYRTXMCQGQ-UHFFFAOYSA-N	-1	0	487.855	5.644	40	5		JKBBRM
O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408962591	570086555	/nfs/dbraw/zinc/08/65/55/570086555.db2.gz	ZNYOWOGMBMCEMP-XKZIYDEJSA-N	-1	0	490.493	5.109	40	5		JKBBRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2	ZINC000408995309	570095263	/nfs/dbraw/zinc/09/52/63/570095263.db2.gz	LYCMUJXLNSTRDX-ZXRKZBAXSA-N	-1	0	492.531	6.343	40	5		JKBBRM
O=C([O-])c1cccc2c1N[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@@H]1Cc3ccccc3[C@H]21	ZINC000409001653	570096453	/nfs/dbraw/zinc/09/64/53/570096453.db2.gz	PZUPIPOIQYRUCH-JCYYIGJDSA-N	-1	0	492.531	6.343	40	5		JKBBRM
O=C([O-])c1ccc([C@H]2N(Cc3ccccc3)C(=O)c3cc([N+](=O)[O-])ccc3N2Cc2ccccc2)cc1	ZINC000409140536	570144357	/nfs/dbraw/zinc/14/43/57/570144357.db2.gz	FIEAQSNNBGKVRQ-HHHXNRCGSA-N	-1	0	493.519	5.654	40	5		JKBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1	ZINC000409327190	570202560	/nfs/dbraw/zinc/20/25/60/570202560.db2.gz	RAXNJUHTVYUNLV-FLIBITNWSA-N	-1	0	459.458	5.097	40	5		JKBBRM
O=C([O-])/C(=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)Sc1nc2ccccc2o1	ZINC000408634109	195479225	/nfs/dbraw/zinc/47/92/25/195479225.db2.gz	PEKIIQWMQCVFKF-DEDYPNTBSA-N	-1	0	450.497	6.105	40	5		JKBBRM
O=C([O-])c1ccccc1C(=O)Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1	ZINC000003099209	554426064	/nfs/dbraw/zinc/42/60/64/554426064.db2.gz	URJXBIHFANBLJT-UHFFFAOYSA-N	-1	0	451.485	5.306	40	5		JKBBRM
CCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21	ZINC000008871939	554767795	/nfs/dbraw/zinc/76/77/95/554767795.db2.gz	BSVHPVHWLGVEDR-UHFFFAOYSA-N	-1	0	466.899	5.061	40	5		JKBBRM
CCCc1oc2c(cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)c1C(=O)OCC	ZINC000008974100	554845456	/nfs/dbraw/zinc/84/54/56/554845456.db2.gz	DEJIPRPWPQLLGT-UHFFFAOYSA-N	-1	0	482.514	5.424	40	5		JKBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2c3c(oc2c2ccccc12)CC[C@@H](C)C3	ZINC000008974207	554845807	/nfs/dbraw/zinc/84/58/07/554845807.db2.gz	JXEQEMMVMRJPBK-CQSZACIVSA-N	-1	0	450.516	5.728	40	5		JKBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2c3c(oc2c2ccccc12)CC[C@H](C)C3	ZINC000008974206	554845821	/nfs/dbraw/zinc/84/58/21/554845821.db2.gz	JXEQEMMVMRJPBK-AWEZNQCLSA-N	-1	0	450.516	5.728	40	5		JKBBRM
O=[N+]([O-])c1cc(S(=O)(=O)[O-])ccc1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1	ZINC000016492283	556141271	/nfs/dbraw/zinc/14/12/71/556141271.db2.gz	LTFPLOWDHLXLEK-UHFFFAOYSA-N	-1	0	454.485	5.315	40	5		JKBBRM
Cc1c(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cccc1[N+](=O)[O-]	ZINC000032116720	556424869	/nfs/dbraw/zinc/42/48/69/556424869.db2.gz	OJNLIETZPKIOHE-UHFFFAOYSA-N	-1	0	468.263	5.432	40	5		JKBBRM
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000037345760	569783294	/nfs/dbraw/zinc/78/32/94/569783294.db2.gz	RZBHIIWYACRLTI-LZYBPNLTSA-N	-1	0	469.302	5.242	40	5		JKBBRM
C/C(=C\C(=O)Nc1ccc(S[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1)C(=O)[O-]	ZINC000211511444	569876139	/nfs/dbraw/zinc/87/61/39/569876139.db2.gz	CULOKHKCEUPFHZ-TVXVBNPNSA-N	-1	0	491.525	5.036	40	5		JKBBRM
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)C(=O)[O-])n[nH]1	ZINC000408630526	569982370	/nfs/dbraw/zinc/98/23/70/569982370.db2.gz	BBAYFFZAUHKKRV-LDADJPATSA-N	-1	0	456.549	5.343	40	5		JKBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)[O-])o2)c1	ZINC000408631611	569983055	/nfs/dbraw/zinc/98/30/55/569983055.db2.gz	FZVKYZVXEQUCAJ-NDENLUEZSA-N	-1	0	495.469	5.140	40	5		JKBBRM
O=C([O-])/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)Sc1nc2ccccc2o1	ZINC000408632004	569983328	/nfs/dbraw/zinc/98/33/28/569983328.db2.gz	CLKNLNMUVFVNBC-UDWIEESQSA-N	-1	0	484.942	6.758	40	5		JKBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)[O-])o2)c1	ZINC000408632114	569983437	/nfs/dbraw/zinc/98/34/37/569983437.db2.gz	HKMXLHLSNAGGSB-NDENLUEZSA-N	-1	0	495.469	5.140	40	5		JKBBRM
CCN(CC)c1ccc([N+](=O)[O-])cc1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000408632675	569983856	/nfs/dbraw/zinc/98/38/56/569983856.db2.gz	GTPDVRJOTAGVLI-LDADJPATSA-N	-1	0	473.942	5.097	40	5		JKBBRM
CCCc1nc(SC(=Cc2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)[O-])n[nH]1	ZINC000408632799	569984062	/nfs/dbraw/zinc/98/40/62/569984062.db2.gz	SVBDAMSJQUZCCR-UUASQNMZSA-N	-1	0	469.306	5.450	40	5		JKBBRM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])o1	ZINC000408632938	569984218	/nfs/dbraw/zinc/98/42/18/569984218.db2.gz	HUZZIMJYFQMQEK-ODLFYWEKSA-N	-1	0	482.905	5.820	40	5		JKBBRM
Cc1cc(-c2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])o2)cc([N+](=O)[O-])c1C	ZINC000408633223	569984246	/nfs/dbraw/zinc/98/42/46/569984246.db2.gz	JCOSATSFWLYWDS-JAIQZWGSSA-N	-1	0	496.932	6.128	40	5		JKBBRM
O=C([O-])/C(=C/c1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1)Sc1nc2ccccc2o1	ZINC000408634079	569984915	/nfs/dbraw/zinc/98/49/15/569984915.db2.gz	ORMNVAXLKQPQMX-WSVATBPTSA-N	-1	0	477.281	6.521	40	5		JKBBRM
CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408634092	569984943	/nfs/dbraw/zinc/98/49/43/569984943.db2.gz	OWHDHUWSIPIYSS-UCQKPKSFSA-N	-1	0	491.525	5.667	40	5		JKBBRM
O=C([O-])/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408634435	569985183	/nfs/dbraw/zinc/98/51/83/569985183.db2.gz	RDPOMGCJPUCCHS-PDGQHHTCSA-N	-1	0	468.878	5.307	40	5		JKBBRM
Cc1ccc(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000408634639	569985301	/nfs/dbraw/zinc/98/53/01/569985301.db2.gz	SYHFRSCKOSIANQ-ODLFYWEKSA-N	-1	0	483.889	6.084	40	5		JKBBRM
O=C([O-])/C(=C/c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408634983	569985425	/nfs/dbraw/zinc/98/54/25/569985425.db2.gz	WBXHFMWHSHHAQI-ZDLGFXPLSA-N	-1	0	487.852	5.915	40	5		JKBBRM
Cc1c(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000408635189	569985535	/nfs/dbraw/zinc/98/55/35/569985535.db2.gz	XVQHLSHGXIYCOE-OYKKKHCWSA-N	-1	0	485.521	6.265	40	5		JKBBRM
O=C([O-])C(=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408635005	569985555	/nfs/dbraw/zinc/98/55/55/569985555.db2.gz	WKMWTLIEIDRJCY-PDGQHHTCSA-N	-1	0	467.894	5.042	40	5		JKBBRM
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C(/Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1	ZINC000408635323	569985690	/nfs/dbraw/zinc/98/56/90/569985690.db2.gz	ZGTJKKKJPXCRQX-FYJGNVAPSA-N	-1	0	463.540	6.149	40	5		JKBBRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000408749136	570033474	/nfs/dbraw/zinc/03/34/74/570033474.db2.gz	DRZUJCGENJFHHZ-SJORKVTESA-N	-1	0	471.560	5.326	40	5		JKBBRM
O=C([O-])c1c(C(=O)Nc2ccc3nc(SCc4ccc(Cl)cc4)sc3c2)cccc1[N+](=O)[O-]	ZINC000408750378	570033933	/nfs/dbraw/zinc/03/39/33/570033933.db2.gz	MDAFUNSCKATKJZ-UHFFFAOYSA-N	-1	0	499.957	6.101	40	5		JKBBRM
O=C([O-])c1c(C(=O)Nc2ccc3nc(SCc4cccc(F)c4)sc3c2)cccc1[N+](=O)[O-]	ZINC000408751126	570034323	/nfs/dbraw/zinc/03/43/23/570034323.db2.gz	WVVDFJUKRZBKMT-UHFFFAOYSA-N	-1	0	483.502	5.586	40	5		JKBBRM
Cc1cccc(CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)[O-])cc3s2)c1	ZINC000408751260	570034417	/nfs/dbraw/zinc/03/44/17/570034417.db2.gz	YNEGWRJZJLBYJR-UHFFFAOYSA-N	-1	0	479.539	5.756	40	5		JKBBRM
Cc1cccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000408995327	570095211	/nfs/dbraw/zinc/09/52/11/570095211.db2.gz	MHTLIOIDPMNSDH-UHFFFAOYSA-N	-1	0	466.449	5.531	40	5		JKBBRM
O=C([O-])c1cccc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2cccc3ccccc32)C4=O)c1	ZINC000408995800	570095325	/nfs/dbraw/zinc/09/53/25/570095325.db2.gz	NKTSZXKQTMFJOU-UHFFFAOYSA-N	-1	0	488.455	6.067	40	5		JKBBRM
Cc1cccc(N2C(=O)c3cccc4c3c(cc([N+](=O)[O-])c4-c3cccc(C(=O)[O-])c3)C2=O)c1C	ZINC000409000868	570096337	/nfs/dbraw/zinc/09/63/37/570096337.db2.gz	NLVZDMWMDUAPHO-UHFFFAOYSA-N	-1	0	466.449	5.531	40	5		JKBBRM
Cc1cccc(N2C(=O)c3cccc4c(-c5cccc(C(=O)[O-])c5)c([N+](=O)[O-])cc(c43)C2=O)c1	ZINC000409000925	570096353	/nfs/dbraw/zinc/09/63/53/570096353.db2.gz	ZAOGYWXQAFZWFT-UHFFFAOYSA-N	-1	0	452.422	5.222	40	5		JKBBRM
O=C([O-])c1cccc2c1N[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1Cc3ccccc3[C@H]21	ZINC000409001655	570096485	/nfs/dbraw/zinc/09/64/85/570096485.db2.gz	PZUPIPOIQYRUCH-UPRLRBBYSA-N	-1	0	492.531	6.343	40	5		JKBBRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2Cl)cc1C	ZINC000408545685	570192926	/nfs/dbraw/zinc/19/29/26/570192926.db2.gz	MIDBTMSCYKVDON-UHFFFAOYSA-N	-1	0	473.938	5.227	40	5		JKBBRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2Cl)c1	ZINC000408546772	570193516	/nfs/dbraw/zinc/19/35/16/570193516.db2.gz	VNJLRFNJLQMEBZ-UHFFFAOYSA-N	-1	0	473.938	5.227	40	5		JKBBRM