smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)n1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000020677914	519921182	/nfs/dbraw/zinc/92/11/82/519921182.db2.gz	JMWPZBDPXFMTNT-UHFFFAOYSA-N	0	1	436.516	3.525	50	5		IHBAMN
CN(C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000011614623	557209826	/nfs/dbraw/zinc/20/98/26/557209826.db2.gz	LEJVNYZQYNDHJN-OAQYLSRUSA-N	0	1	443.459	3.961	50	5		IHBAMN
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1	ZINC000000805468	557218702	/nfs/dbraw/zinc/21/87/02/557218702.db2.gz	MJTIWIXPPRJDQC-UHFFFAOYSA-N	0	1	432.479	3.537	50	5		IHBAMN
C[C@@H](NC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)c1ccccc1	ZINC000000819469	557263068	/nfs/dbraw/zinc/26/30/68/557263068.db2.gz	UUMVABGBGYHZKQ-JLTOFOAXSA-N	0	1	439.855	3.711	50	5		IHBAMN
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102737519	557379967	/nfs/dbraw/zinc/37/99/67/557379967.db2.gz	KQVZEZIPDVBIAL-YPAWHYETSA-N	0	1	429.432	3.954	50	5		IHBAMN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1C	ZINC000015243971	568737283	/nfs/dbraw/zinc/73/72/83/568737283.db2.gz	MVJSQPMQJHETIU-UHFFFAOYSA-N	0	1	441.513	3.997	50	5		IHBAMN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000036160967	568967387	/nfs/dbraw/zinc/96/73/87/568967387.db2.gz	VDKRKRMLCWCXMJ-CXUHLZMHSA-N	0	1	445.409	3.844	50	5		IHBAMN
O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000089780791	569162926	/nfs/dbraw/zinc/16/29/26/569162926.db2.gz	GHYQAZXIUDKQIS-UHFFFAOYSA-N	0	1	436.434	3.556	50	5		IHBAMN
CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc2ccccc21	ZINC000058026877	569445449	/nfs/dbraw/zinc/44/54/49/569445449.db2.gz	GFVKRSXEIRIOMO-HXUWFJFHSA-N	0	1	428.466	3.639	50	5		IHBAMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC[C@H](c1ccco1)N1CCCCC1	ZINC000009119612	569503556	/nfs/dbraw/zinc/50/35/56/569503556.db2.gz	NSWLXIPAZNVHTI-HXUWFJFHSA-N	0	1	448.545	3.611	50	5		IHBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1	ZINC000006146428	193884028	/nfs/dbraw/zinc/88/40/28/193884028.db2.gz	YNWGUKOOSKESHR-UHFFFAOYSA-N	0	1	445.428	3.796	50	5		IHBAMN
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccccc4F)c(O)c23)cc1	ZINC000103623911	557439776	/nfs/dbraw/zinc/43/97/76/557439776.db2.gz	NHZSZGDVBIEKJZ-PZJWPPBQSA-N	0	1	430.395	3.516	50	5		IHBAMN
COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C	ZINC000001162365	568664362	/nfs/dbraw/zinc/66/43/62/568664362.db2.gz	DZRULDWXICEXCP-UHFFFAOYSA-N	0	1	441.465	3.965	50	5		IHBAMN
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000003174531	569441272	/nfs/dbraw/zinc/44/12/72/569441272.db2.gz	IIGYPMLWTATPAM-UHFFFAOYSA-N	0	1	427.438	3.657	50	5		IHBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1	ZINC000009714603	569562852	/nfs/dbraw/zinc/56/28/52/569562852.db2.gz	VVALMMYYNDWXDM-UHFFFAOYSA-N	0	1	439.497	3.843	50	5		IHBAMN
Cn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000009942351	569574031	/nfs/dbraw/zinc/57/40/31/569574031.db2.gz	ULEYCVKBXMMQAP-UHFFFAOYSA-N	0	1	437.500	3.875	50	5		IHBAMN
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1	ZINC000009440186	132317842	/nfs/dbraw/zinc/31/78/42/132317842.db2.gz	DQCPOBZAHLBLMF-AWEZNQCLSA-N	0	1	447.513	3.583	50	5		IHBAMN
C[C@H](NC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)c1ccccc1	ZINC000000819468	557262708	/nfs/dbraw/zinc/26/27/08/557262708.db2.gz	UUMVABGBGYHZKQ-VBKZILBWSA-N	0	1	439.855	3.711	50	5		IHBAMN
CC1=NC(=S)N[C@H](c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1C(=O)OC(C)C	ZINC000072328185	557363274	/nfs/dbraw/zinc/36/32/74/557363274.db2.gz	XIHLVSYXFRBRDM-HXUWFJFHSA-N	0	1	441.509	3.918	50	5		IHBAMN
O=C1C2=C(c3ccc([N+](=O)[O-])cc3)NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000103614568	557439193	/nfs/dbraw/zinc/43/91/93/557439193.db2.gz	AGRSOIUWNDUISI-FPOVZHCZSA-N	0	1	430.395	3.516	50	5		IHBAMN
CCN1CCN(c2cc(C)c3cc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)ccc3n2)CC1	ZINC000020108608	569334380	/nfs/dbraw/zinc/33/43/80/569334380.db2.gz	FKGQCGFFUXHPNS-UHFFFAOYSA-N	0	1	433.512	3.775	50	5		IHBAMN
COc1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1[N+](=O)[O-]	ZINC000004149983	569460512	/nfs/dbraw/zinc/46/05/12/569460512.db2.gz	NJCSSQDDIYCPQE-UHFFFAOYSA-N	0	1	432.435	3.725	50	5		IHBAMN
COc1ccc2nc(N(CCN(C)C)C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000009603833	569551747	/nfs/dbraw/zinc/55/17/47/569551747.db2.gz	XIRIJNWXPAXVQH-WDZFZDKYSA-N	0	1	426.498	3.821	50	5		IHBAMN
CC(C)(C)NS(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1	ZINC000012735080	518771038	/nfs/dbraw/zinc/77/10/38/518771038.db2.gz	DWBRMDVDWXOIQE-UHFFFAOYSA-N	0	1	433.515	3.608	50	5		IHBAMN
O=C(c1cc(N2CCN(Cc3cccc4cccnc43)CC2)ccc1[N+](=O)[O-])N1CCCC1	ZINC000059734026	556412455	/nfs/dbraw/zinc/41/24/55/556412455.db2.gz	FIPWBUFPHPMUEB-UHFFFAOYSA-N	0	1	445.523	3.701	50	5		IHBAMN
CCOC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000001301746	568778949	/nfs/dbraw/zinc/77/89/49/568778949.db2.gz	SKGFYHBUPCKPHJ-INIZCTEOSA-N	0	1	447.241	3.820	50	5		IHBAMN
CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1	ZINC000020029627	569332476	/nfs/dbraw/zinc/33/24/76/569332476.db2.gz	CKGHQDIONKMHTB-INIZCTEOSA-N	0	1	447.241	3.820	50	5		IHBAMN
CCc1noc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000095438453	569366610	/nfs/dbraw/zinc/36/66/10/569366610.db2.gz	CDWRKFGCIQSXOK-UHFFFAOYSA-N	0	1	430.442	3.507	50	5		IHBAMN
CCN(CC)CCSc1nc2ccccc2c2nc(=O)c(-c3ccc(OC)cc3)nn12	ZINC000058046943	569445933	/nfs/dbraw/zinc/44/59/33/569445933.db2.gz	SZROZBTVTDKYLP-UHFFFAOYSA-N	0	1	435.553	3.747	50	5		IHBAMN
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1	ZINC000003833003	569456612	/nfs/dbraw/zinc/45/66/12/569456612.db2.gz	PAGBBAMQYMCUBN-UHFFFAOYSA-N	0	1	427.438	3.657	50	5		IHBAMN
COc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000009934925	569573808	/nfs/dbraw/zinc/57/38/08/569573808.db2.gz	CKDBEBGMZGCAQR-OAQYLSRUSA-N	0	1	444.451	3.628	50	5		IHBAMN
O=C(c1ccco1)N1CCCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000009569251	132231933	/nfs/dbraw/zinc/23/19/33/132231933.db2.gz	GHNMQBBTNORDTI-UHFFFAOYSA-N	0	1	427.438	3.582	50	5		IHBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c1	ZINC000009714672	132237186	/nfs/dbraw/zinc/23/71/86/132237186.db2.gz	CPRWASPSZCGHHJ-UHFFFAOYSA-N	0	1	439.497	3.843	50	5		IHBAMN
Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-]	ZINC000012758441	525748057	/nfs/dbraw/zinc/74/80/57/525748057.db2.gz	MNBZDSPYRZFBRD-UHFFFAOYSA-N	0	1	425.894	3.886	50	5		IHBAMN
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1O	ZINC000015019019	568628106	/nfs/dbraw/zinc/62/81/06/568628106.db2.gz	OEPUQQIVMWKWJJ-UHFFFAOYSA-N	0	1	448.460	3.730	50	5		IHBAMN
COc1cc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc([N+](=O)[O-])c1O	ZINC000016386254	568886640	/nfs/dbraw/zinc/88/66/40/568886640.db2.gz	OGAILCKEADTKPP-IZZDOVSWSA-N	0	1	433.342	3.982	50	5		IHBAMN
COC(=O)c1cc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc([N+](=O)[O-])c1	ZINC000015692122	568807207	/nfs/dbraw/zinc/80/72/07/568807207.db2.gz	QEFBUQZGTSKXOF-SFHVURJKSA-N	0	1	431.514	3.646	50	5		IHBAMN
CC(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@@H]12	ZINC000169677309	568989643	/nfs/dbraw/zinc/98/96/43/568989643.db2.gz	JXVQTFCFHGFBLA-UPVQGACJSA-N	0	1	436.556	3.620	50	5		IHBAMN
COc1ccc([C@H](CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2c(O)cc(C)oc2=O)cc1	ZINC000253471567	569282735	/nfs/dbraw/zinc/28/27/35/569282735.db2.gz	VJRCCZDAFDXABA-INIZCTEOSA-N	0	1	442.399	3.870	50	5		IHBAMN
Cc1cccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@H]43)C2=O)c1	ZINC000230005820	569417277	/nfs/dbraw/zinc/41/72/77/569417277.db2.gz	MKCXUVDFACBFDR-RDPSFJRHSA-N	0	1	448.479	3.682	50	5		IHBAMN
CCc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000002913723	569424981	/nfs/dbraw/zinc/42/49/81/569424981.db2.gz	MHCHZIASOIYZBQ-UHFFFAOYSA-N	0	1	435.465	3.554	50	5		IHBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1c1ccc(F)cc1	ZINC000230216769	569440166	/nfs/dbraw/zinc/44/01/66/569440166.db2.gz	ZIEYAEJTWWFULE-PGRDOPGGSA-N	0	1	438.415	3.759	50	5		IHBAMN
COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@@H]3c3cccc([N+](=O)[O-])c3)c2c1	ZINC000008992336	569495399	/nfs/dbraw/zinc/49/53/99/569495399.db2.gz	DQHFBBLIUXULGB-QFIPXVFZSA-N	0	1	431.452	3.904	50	5		IHBAMN
CC(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@H]12	ZINC000035894520	519661541	/nfs/dbraw/zinc/66/15/41/519661541.db2.gz	JXVQTFCFHGFBLA-LADGPHEKSA-N	0	1	436.556	3.620	50	5		IHBAMN
O=C(Cc1ccccc1)Nc1ccc(N2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)nc1	ZINC000034681758	555815366	/nfs/dbraw/zinc/81/53/66/555815366.db2.gz	OQMWVMLCWWKJNL-UHFFFAOYSA-N	0	1	445.523	3.883	50	5		IHBAMN
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101091605	557245964	/nfs/dbraw/zinc/24/59/64/557245964.db2.gz	KQVZEZIPDVBIAL-VSKRKVRLSA-N	0	1	429.432	3.954	50	5		IHBAMN
COc1cccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000102754742	557383883	/nfs/dbraw/zinc/38/38/83/557383883.db2.gz	MOSFIMPGJSYNDM-YPAWHYETSA-N	0	1	445.431	3.655	50	5		IHBAMN
CC(C)[C@@H](NC[C@H](O)COCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000036160367	568967337	/nfs/dbraw/zinc/96/73/37/568967337.db2.gz	YYMADTVONDUUSN-VQTJNVASSA-N	0	1	426.473	3.509	50	5		IHBAMN
COc1ccc([C@@H](CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2c(O)cc(C)oc2=O)cc1	ZINC000253471568	569282669	/nfs/dbraw/zinc/28/26/69/569282669.db2.gz	VJRCCZDAFDXABA-MRXNPFEDSA-N	0	1	442.399	3.870	50	5		IHBAMN
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nc3ccccc3[nH]c2=O)c1	ZINC000008710327	569470879	/nfs/dbraw/zinc/47/08/79/569470879.db2.gz	LOAAGUMGXGWLJP-UHFFFAOYSA-N	0	1	436.449	3.608	50	5		IHBAMN
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCN(C)C)C3=O	ZINC000010233059	569579459	/nfs/dbraw/zinc/57/94/59/569579459.db2.gz	DHQMEFRYMJXDHJ-LJQANCHMSA-N	0	1	441.871	3.770	50	5		IHBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000008994184	132299990	/nfs/dbraw/zinc/29/99/90/132299990.db2.gz	QHIVKBRVVQMSNR-UTKZUKDTSA-N	0	1	440.843	3.883	50	5		IHBAMN
COc1ccccc1[C@@H](CNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1)N(C)C	ZINC000035681901	524736693	/nfs/dbraw/zinc/73/66/93/524736693.db2.gz	HSPQIXLORZNSSP-MRXNPFEDSA-N	0	1	441.467	3.573	50	5		IHBAMN
CN(C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000011614627	557210850	/nfs/dbraw/zinc/21/08/50/557210850.db2.gz	UFXUBPUQNXRGCO-OAQYLSRUSA-N	0	1	443.459	3.961	50	5		IHBAMN
O=C(c1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000096011661	569379883	/nfs/dbraw/zinc/37/98/83/569379883.db2.gz	SBRXXAOZPWMXSD-UHFFFAOYSA-N	0	1	445.401	3.966	50	5		IHBAMN
CC(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@H]12	ZINC000035894518	519659474	/nfs/dbraw/zinc/65/94/74/519659474.db2.gz	JXVQTFCFHGFBLA-ISKFKSNPSA-N	0	1	436.556	3.620	50	5		IHBAMN
O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)Nc1ccc(Br)cc1	ZINC000036644206	569128396	/nfs/dbraw/zinc/12/83/96/569128396.db2.gz	LRAHEWRVBINPQJ-UHFFFAOYSA-N	0	1	434.275	3.873	50	5		IHBAMN
Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(-c2nc3ccccc3[nH]c2=O)c1	ZINC000170618174	569147040	/nfs/dbraw/zinc/14/70/40/569147040.db2.gz	ZWGFHJQKHYJPAU-UHFFFAOYSA-N	0	1	436.449	3.608	50	5		IHBAMN
CN(CCO)CCCNc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12	ZINC000009087042	569500728	/nfs/dbraw/zinc/50/07/28/569500728.db2.gz	YCBVFMKGIBKARI-UHFFFAOYSA-N	0	1	443.503	3.667	50	5		IHBAMN
O=C(NCc1n[nH]c(=S)n1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000009369258	569526756	/nfs/dbraw/zinc/52/67/56/569526756.db2.gz	PRYUTOBBVZLKQV-UHFFFAOYSA-N	0	1	434.275	3.531	50	5		IHBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1	ZINC000012560686	526088224	/nfs/dbraw/zinc/08/82/24/526088224.db2.gz	FNSQNYMQOKETBX-UHFFFAOYSA-N	0	1	426.376	3.909	50	5		IHBAMN
O=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000012564975	526779457	/nfs/dbraw/zinc/77/94/57/526779457.db2.gz	NDTBWEFGOAWUEG-UHFFFAOYSA-N	0	1	435.845	3.572	50	5		IHBAMN
Cc1nc(CN(C)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)[nH]c1-c1cccc([N+](=O)[O-])c1	ZINC000097000816	557013791	/nfs/dbraw/zinc/01/37/91/557013791.db2.gz	ICBYMUVRBADULK-UHFFFAOYSA-N	0	1	442.863	3.710	50	5		IHBAMN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1NC[C@@H]1CCCO1	ZINC000023743938	557372599	/nfs/dbraw/zinc/37/25/99/557372599.db2.gz	DPDBALVSLIUWLD-LBPRGKRZSA-N	0	1	443.428	3.588	50	5		IHBAMN
COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(C)cc1	ZINC000001024216	568653180	/nfs/dbraw/zinc/65/31/80/568653180.db2.gz	UBFYNLCGEXFZSJ-UHFFFAOYSA-N	0	1	426.450	3.944	50	5		IHBAMN
Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000016349767	568877665	/nfs/dbraw/zinc/87/76/65/568877665.db2.gz	INCBBBJWEURISN-UHFFFAOYSA-N	0	1	447.494	3.505	50	5		IHBAMN
COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC	ZINC000027573057	569273509	/nfs/dbraw/zinc/27/35/09/569273509.db2.gz	MOJJCKRZRFMZLJ-KRWDZBQOSA-N	0	1	433.530	3.877	50	5		IHBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1	ZINC000009227544	569513474	/nfs/dbraw/zinc/51/34/74/569513474.db2.gz	JXPSAKSCGDXKOG-UHFFFAOYSA-N	0	1	449.876	3.781	50	5		IHBAMN
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1	ZINC000009440191	132317846	/nfs/dbraw/zinc/31/78/46/132317846.db2.gz	DQCPOBZAHLBLMF-CQSZACIVSA-N	0	1	447.513	3.583	50	5		IHBAMN
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000002023112	568930761	/nfs/dbraw/zinc/93/07/61/568930761.db2.gz	IIBQWIMIYHROFI-UHFFFAOYSA-N	0	1	442.409	3.556	50	5		IHBAMN
CCOc1ccc(-c2cnc(NCc3cc4c(cc3[N+](=O)[O-])OCO4)n2CCOC)cc1	ZINC000009720789	569563335	/nfs/dbraw/zinc/56/33/35/569563335.db2.gz	AFGGDGNCCOXONJ-UHFFFAOYSA-N	0	1	440.456	3.844	50	5		IHBAMN
CC1=NC(=S)N[C@@H](c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1C(=O)OC(C)C	ZINC000072328184	556724611	/nfs/dbraw/zinc/72/46/11/556724611.db2.gz	XIHLVSYXFRBRDM-FQEVSTJZSA-N	0	1	441.509	3.918	50	5		IHBAMN
CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1	ZINC000014152386	557310104	/nfs/dbraw/zinc/31/01/04/557310104.db2.gz	TXVQZIRPDVTKSI-UHFFFAOYSA-N	0	1	429.458	3.518	50	5		IHBAMN
CC1(C)CC(=O)C(C(c2cc([N+](=O)[O-])ccc2O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000102409911	557320954	/nfs/dbraw/zinc/32/09/54/557320954.db2.gz	MVIYWXBZNLSIPB-UHFFFAOYSA-N	0	1	429.469	3.533	50	5		IHBAMN
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc([N+](=O)[O-])cc1)N(CCN(C)C)C3=O	ZINC000010233061	569299433	/nfs/dbraw/zinc/29/94/33/569299433.db2.gz	HMDNANUIVKTBKV-LJQANCHMSA-N	0	1	441.871	3.770	50	5		IHBAMN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCCCN1CCCC1=O)c1ccccc1	ZINC000013146052	569311475	/nfs/dbraw/zinc/31/14/75/569311475.db2.gz	NHTHFYGGSRXLBL-HXUWFJFHSA-N	0	1	430.892	3.530	50	5		IHBAMN
CCc1c(C(=O)N2CCCN(Cc3cccs3)CC2)cnn1-c1ccc([N+](=O)[O-])cc1	ZINC000040089146	569487075	/nfs/dbraw/zinc/48/70/75/569487075.db2.gz	VYXXOPIJXSVMLP-UHFFFAOYSA-N	0	1	439.541	3.753	50	5		IHBAMN
Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1	ZINC000009488082	569539816	/nfs/dbraw/zinc/53/98/16/569539816.db2.gz	UOWOUWKVQWWIQI-UHFFFAOYSA-N	0	1	427.877	3.903	50	5		IHBAMN
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1	ZINC000009714698	569562827	/nfs/dbraw/zinc/56/28/27/569562827.db2.gz	DRMOIEIFIVSFTF-UHFFFAOYSA-N	0	1	427.438	3.657	50	5		IHBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1	ZINC000009714673	132237155	/nfs/dbraw/zinc/23/71/55/132237155.db2.gz	FQLLUWGEMAQWLB-UHFFFAOYSA-N	0	1	439.497	3.843	50	5		IHBAMN
Cc1cccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c1	ZINC000008971766	132299287	/nfs/dbraw/zinc/29/92/87/132299287.db2.gz	QKPDXHQQDFESEK-XXBNENTESA-N	0	1	434.452	3.928	50	5		IHBAMN
CC(C)n1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000020677612	519920947	/nfs/dbraw/zinc/92/09/47/519920947.db2.gz	OGRJOAMIAABZRG-UHFFFAOYSA-N	0	1	436.516	3.525	50	5		IHBAMN
CCN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1	ZINC000008857517	535748562	/nfs/dbraw/zinc/74/85/62/535748562.db2.gz	QWHKCHXOPPEACM-UHFFFAOYSA-N	0	1	438.406	3.888	50	5		IHBAMN
COC(=O)c1cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc([N+](=O)[O-])c1	ZINC000015692120	568807309	/nfs/dbraw/zinc/80/73/09/568807309.db2.gz	QEFBUQZGTSKXOF-GOSISDBHSA-N	0	1	431.514	3.646	50	5		IHBAMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1	ZINC000089644382	569160219	/nfs/dbraw/zinc/16/02/19/569160219.db2.gz	DVTJXIDXNHCIME-UHFFFAOYSA-N	0	1	425.464	3.936	50	5		IHBAMN
COc1cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC	ZINC000027573052	569273596	/nfs/dbraw/zinc/27/35/96/569273596.db2.gz	MOJJCKRZRFMZLJ-QGZVFWFLSA-N	0	1	433.530	3.877	50	5		IHBAMN
COc1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1OCc1ccc([N+](=O)[O-])cc1	ZINC000019355962	569318831	/nfs/dbraw/zinc/31/88/31/569318831.db2.gz	UIWGRPNPJUZXRY-NRFANRHFSA-N	0	1	444.451	3.819	50	5		IHBAMN
C[C@H](Nc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000019418214	569319408	/nfs/dbraw/zinc/31/94/08/569319408.db2.gz	UFWACGHASKRRJQ-QZGUCNERSA-N	0	1	428.577	3.726	50	5		IHBAMN
C[C@H](Nc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000019648635	569325079	/nfs/dbraw/zinc/32/50/79/569325079.db2.gz	NXBSFISOTGDCJX-HNNXBMFYSA-N	0	1	449.349	3.645	50	5		IHBAMN
O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1NC(c1ccccc1)c1ccccc1	ZINC000019792775	569329266	/nfs/dbraw/zinc/32/92/66/569329266.db2.gz	VBJVGPZGOMTOND-UHFFFAOYSA-N	0	1	432.524	3.911	50	5		IHBAMN
O=C(CN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000097021891	569402989	/nfs/dbraw/zinc/40/29/89/569402989.db2.gz	QXDZDCALUJFIIQ-QGZVFWFLSA-N	0	1	426.864	3.809	50	5		IHBAMN
O=C(CN1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000097021891	569402991	/nfs/dbraw/zinc/40/29/91/569402991.db2.gz	QXDZDCALUJFIIQ-QGZVFWFLSA-N	0	1	426.864	3.809	50	5		IHBAMN
CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc2ccccc21	ZINC000058026883	569445461	/nfs/dbraw/zinc/44/54/61/569445461.db2.gz	GFVKRSXEIRIOMO-FQEVSTJZSA-N	0	1	428.466	3.639	50	5		IHBAMN
O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1ccc([N+](=O)[O-])cc1	ZINC000009390078	569528653	/nfs/dbraw/zinc/52/86/53/569528653.db2.gz	IRXWVYDHWDOUSR-UHFFFAOYSA-N	0	1	434.275	3.873	50	5		IHBAMN
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc([N+](=O)[O-])c1)N(CCN(C)C)C3=O	ZINC000010233060	569579446	/nfs/dbraw/zinc/57/94/46/569579446.db2.gz	DHQMEFRYMJXDHJ-IBGZPJMESA-N	0	1	441.871	3.770	50	5		IHBAMN
CN(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000012605239	522232822	/nfs/dbraw/zinc/23/28/22/522232822.db2.gz	UWJNPZJAZSBVHT-UHFFFAOYSA-N	0	1	440.481	3.714	50	5		IHBAMN
COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCC2)cc1	ZINC000012548892	525184890	/nfs/dbraw/zinc/18/48/90/525184890.db2.gz	YZTNNDRESZZXOB-HSZRJFAPSA-N	0	1	438.528	3.771	50	5		IHBAMN
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccccc4F)c(O)c23)cc1	ZINC000103623908	557439890	/nfs/dbraw/zinc/43/98/90/557439890.db2.gz	NHZSZGDVBIEKJZ-TZIWHRDSSA-N	0	1	430.395	3.516	50	5		IHBAMN
COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000002952684	569432227	/nfs/dbraw/zinc/43/22/27/569432227.db2.gz	YKLQAEQZZJSZBC-UHFFFAOYSA-N	0	1	427.438	3.657	50	5		IHBAMN
COc1cc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc([N+](=O)[O-])c1O	ZINC000069815459	569519846	/nfs/dbraw/zinc/51/98/46/569519846.db2.gz	OGAILCKEADTKPP-WDZFZDKYSA-N	0	1	433.342	3.982	50	5		IHBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1	ZINC000009714605	569562892	/nfs/dbraw/zinc/56/28/92/569562892.db2.gz	PTQIVKPOADYBMV-UHFFFAOYSA-N	0	1	439.497	3.843	50	5		IHBAMN
CC1CCN(Cc2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3n2C)CC1	ZINC000020893183	521025228	/nfs/dbraw/zinc/02/52/28/521025228.db2.gz	FOZPZDORXWYOOX-UHFFFAOYSA-N	0	1	437.500	3.731	50	5		IHBAMN
CCN1CCN(c2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	ZINC000032888350	556511197	/nfs/dbraw/zinc/51/11/97/556511197.db2.gz	MNNNZPOAYQIKHP-UHFFFAOYSA-N	0	1	440.547	3.935	50	5		IHBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000016097090	568870363	/nfs/dbraw/zinc/87/03/63/568870363.db2.gz	LQMFJQHJDFIZJQ-UHFFFAOYSA-N	0	1	447.494	3.505	50	5		IHBAMN
CC(C)[C@@H](NC[C@@H](O)COCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000036160376	568967474	/nfs/dbraw/zinc/96/74/74/568967474.db2.gz	YYMADTVONDUUSN-WOJBJXKFSA-N	0	1	426.473	3.509	50	5		IHBAMN
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000002659530	569415802	/nfs/dbraw/zinc/41/58/02/569415802.db2.gz	KHOPUVIENJDIIY-UHFFFAOYSA-N	0	1	441.465	3.585	50	5		IHBAMN
CCOC(=O)CNc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]	ZINC000008782227	569475784	/nfs/dbraw/zinc/47/57/84/569475784.db2.gz	SVXMFLYGAAGNPP-UHFFFAOYSA-N	0	1	448.284	3.677	50	5		IHBAMN
CC(C)c1nnc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)s1	ZINC000012781236	519890325	/nfs/dbraw/zinc/89/03/25/519890325.db2.gz	GZRTZUQWVHWJGR-UHFFFAOYSA-N	0	1	447.498	3.623	50	5		IHBAMN
CCN(CC)S(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1	ZINC000012784827	520808947	/nfs/dbraw/zinc/80/89/47/520808947.db2.gz	DDBKXRPFHMCNBT-UHFFFAOYSA-N	0	1	433.515	3.562	50	5		IHBAMN
COc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCC2)cc1	ZINC000012548893	525359493	/nfs/dbraw/zinc/35/94/93/525359493.db2.gz	YZTNNDRESZZXOB-QHCPKHFHSA-N	0	1	438.528	3.771	50	5		IHBAMN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1	ZINC000012428570	527355018	/nfs/dbraw/zinc/35/50/18/527355018.db2.gz	QVRGDWSAAYRQOJ-UHFFFAOYSA-N	0	1	439.965	3.523	50	5		IHBAMN
O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H](c4nc(-c5cccc(F)c5)no4)C3)n2)cc1	ZINC000058161891	569449302	/nfs/dbraw/zinc/44/93/02/569449302.db2.gz	ICXKTDGZXGQMGA-QGZVFWFLSA-N	0	1	449.446	3.880	50	5		IHBAMN
CN1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1	ZINC000004044510	132268861	/nfs/dbraw/zinc/26/88/61/132268861.db2.gz	PLHTVUFOHHOCSF-UHFFFAOYSA-N	0	1	441.491	3.713	50	5		IHBAMN
Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc([N+](=O)[O-])c1C	ZINC000012536004	525422850	/nfs/dbraw/zinc/42/28/50/525422850.db2.gz	QRYUQSBIMRXJFR-UHFFFAOYSA-N	0	1	448.497	3.784	50	5		IHBAMN
CC(C)NC(=O)c1ccc(N2CCN(Cc3cccc4cccnc43)CC2)c([N+](=O)[O-])c1	ZINC000032899466	556530735	/nfs/dbraw/zinc/53/07/35/556530735.db2.gz	ARGAGQFHAGNHBS-UHFFFAOYSA-N	0	1	433.512	3.603	50	5		IHBAMN
CN(C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000011614622	557208320	/nfs/dbraw/zinc/20/83/20/557208320.db2.gz	LEJVNYZQYNDHJN-NRFANRHFSA-N	0	1	443.459	3.961	50	5		IHBAMN
C[C@H](NC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)c1ccccc1	ZINC000000819470	557262898	/nfs/dbraw/zinc/26/28/98/557262898.db2.gz	UUMVABGBGYHZKQ-XOBRGWDASA-N	0	1	439.855	3.711	50	5		IHBAMN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(-c2nnc3n2CCCCC3)c(F)cc1F	ZINC000012942198	568870151	/nfs/dbraw/zinc/87/01/51/568870151.db2.gz	BTOPJNSZPXURRM-UHFFFAOYSA-N	0	1	449.439	3.659	50	5		IHBAMN
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000137587547	568880306	/nfs/dbraw/zinc/88/03/06/568880306.db2.gz	KQVZEZIPDVBIAL-BHDDXSALSA-N	0	1	429.432	3.954	50	5		IHBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1	ZINC000009714697	569297875	/nfs/dbraw/zinc/29/78/75/569297875.db2.gz	KLEVGJHRDQCSOV-UHFFFAOYSA-N	0	1	427.438	3.657	50	5		IHBAMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@H]43)C2=O)c1	ZINC000230005824	569417273	/nfs/dbraw/zinc/41/72/73/569417273.db2.gz	MKCXUVDFACBFDR-GBXCKJPGSA-N	0	1	448.479	3.682	50	5		IHBAMN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2I)cc1	ZINC000008648613	569469557	/nfs/dbraw/zinc/46/95/57/569469557.db2.gz	IIVDRKNPBAPOAU-UHFFFAOYSA-N	0	1	438.630	3.654	50	5		IHBAMN
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000009714704	569562821	/nfs/dbraw/zinc/56/28/21/569562821.db2.gz	FIWMPBZIKZPLBK-UHFFFAOYSA-N	0	1	445.428	3.796	50	5		IHBAMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c1	ZINC000008971764	132299257	/nfs/dbraw/zinc/29/92/57/132299257.db2.gz	QKPDXHQQDFESEK-AUSIDOKSSA-N	0	1	434.452	3.928	50	5		IHBAMN
O=C(Cc1ccccc1)Nc1ccc(N2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc1	ZINC000034681757	555815305	/nfs/dbraw/zinc/81/53/05/555815305.db2.gz	BXFRTBIXWPNEJL-UHFFFAOYSA-N	0	1	445.523	3.883	50	5		IHBAMN
CCCc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	ZINC000096422932	556813725	/nfs/dbraw/zinc/81/37/25/556813725.db2.gz	ZPQJOIKWXDIZMF-MOSHPQCFSA-N	0	1	447.451	3.532	50	5		IHBAMN
CN1CCN(Cc2cc(Cl)c3cccnc3c2OC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000006144600	568846034	/nfs/dbraw/zinc/84/60/34/568846034.db2.gz	ASEHFZKCYYKAEB-UHFFFAOYSA-N	0	1	440.887	3.763	50	5		IHBAMN
C[C@@H](Nc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000019648632	569325101	/nfs/dbraw/zinc/32/51/01/569325101.db2.gz	NXBSFISOTGDCJX-OAHLLOKOSA-N	0	1	449.349	3.645	50	5		IHBAMN
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(Cc2ccc(Cl)cc2)n[nH]1	ZINC000009126012	569504740	/nfs/dbraw/zinc/50/47/40/569504740.db2.gz	QCPAEIAXFZJGSA-UHFFFAOYSA-N	0	1	433.877	3.697	50	5		IHBAMN
COc1cc2nc3c(Cl)cc(C(=O)c4cc(F)ccc4O)cn3c(=O)c2cc1OC	ZINC000009545024	569546107	/nfs/dbraw/zinc/54/61/07/569546107.db2.gz	CWBNTBRQBJRMBQ-UHFFFAOYSA-N	0	1	428.803	3.594	50	5		IHBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000008994185	132300018	/nfs/dbraw/zinc/30/00/18/132300018.db2.gz	QHIVKBRVVQMSNR-DYESRHJHSA-N	0	1	440.843	3.883	50	5		IHBAMN
Cn1c2ccccc2c(N2CCN(Cc3cccc4ccccc43)CC2)c([N+](=O)[O-])c1=O	ZINC000012428086	527109157	/nfs/dbraw/zinc/10/91/57/527109157.db2.gz	MXCLREQESQMKOK-UHFFFAOYSA-N	0	1	428.492	3.922	50	5		IHBAMN
COc1cccc([N-]c2nc([N-]c3cccc(OC)c3)c([N+](=O)[O-])c(N)c2[N+](=O)[O-])c1	ZINC000016663603	568931546	/nfs/dbraw/zinc/93/15/46/568931546.db2.gz	OSVROKOZMPBPFS-UHFFFAOYSA-N	0	1	426.389	3.985	50	5		IHBAMN
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1	ZINC000009714699	569562860	/nfs/dbraw/zinc/56/28/60/569562860.db2.gz	LZCPIUGXLYGPGA-UHFFFAOYSA-N	0	1	427.438	3.657	50	5		IHBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccc(F)cc1	ZINC000008974497	132299154	/nfs/dbraw/zinc/29/91/54/132299154.db2.gz	ZIEYAEJTWWFULE-GCJKJVERSA-N	0	1	438.415	3.759	50	5		IHBAMN
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000012819606	525464064	/nfs/dbraw/zinc/46/40/64/525464064.db2.gz	SZRQFRPHBUCAKA-UHFFFAOYSA-N	0	1	446.866	3.766	50	5		IHBAMN
Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-]	ZINC000012561179	525595313	/nfs/dbraw/zinc/59/53/13/525595313.db2.gz	WBZWNIJTKIDNNL-UHFFFAOYSA-N	0	1	426.376	3.909	50	5		IHBAMN
C[C@@H](NC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)c1ccccc1	ZINC000000819471	557262999	/nfs/dbraw/zinc/26/29/99/557262999.db2.gz	UUMVABGBGYHZKQ-VLIAUNLRSA-N	0	1	439.855	3.711	50	5		IHBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	ZINC000014397081	557336935	/nfs/dbraw/zinc/33/69/35/557336935.db2.gz	JXVGWAAVGQUGKS-UHFFFAOYSA-N	0	1	447.494	3.505	50	5		IHBAMN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(I)cc2)c1	ZINC000006142763	568845420	/nfs/dbraw/zinc/84/54/20/568845420.db2.gz	WHNHUVWVVPENKB-UHFFFAOYSA-N	0	1	438.630	3.654	50	5		IHBAMN
COc1ccccc1[C@@H](CNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(C)cc2)n1)N(C)C	ZINC000170621887	569147789	/nfs/dbraw/zinc/14/77/89/569147789.db2.gz	PXFTWWIUDGPWRJ-QGZVFWFLSA-N	0	1	437.504	3.742	50	5		IHBAMN
COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3cccc([N+](=O)[O-])c3)c2c1	ZINC000008992335	569495359	/nfs/dbraw/zinc/49/53/59/569495359.db2.gz	DQHFBBLIUXULGB-JOCHJYFZSA-N	0	1	431.452	3.904	50	5		IHBAMN
COc1ccccc1[C@H](CNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(F)cc2)n1)N(C)C	ZINC000035681900	524794561	/nfs/dbraw/zinc/79/45/61/524794561.db2.gz	HSPQIXLORZNSSP-INIZCTEOSA-N	0	1	441.467	3.573	50	5		IHBAMN
COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3ccc([N+](=O)[O-])cc3)c2c1	ZINC000013569974	556697887	/nfs/dbraw/zinc/69/78/87/556697887.db2.gz	LCCWCAXUTSVEAM-JOCHJYFZSA-N	0	1	431.452	3.904	50	5		IHBAMN
O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000008816205	569290819	/nfs/dbraw/zinc/29/08/19/569290819.db2.gz	KMTSUFVGHSSFCI-UHFFFAOYSA-N	0	1	442.409	3.556	50	5		IHBAMN
COc1ccc(Cc2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)cc1	ZINC000009698925	569297711	/nfs/dbraw/zinc/29/77/11/569297711.db2.gz	YODHAHKUYKUQBG-UHFFFAOYSA-N	0	1	433.877	3.697	50	5		IHBAMN
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc([N+](=O)[O-])cc1)N(CCN(C)C)C3=O	ZINC000010233062	569299435	/nfs/dbraw/zinc/29/94/35/569299435.db2.gz	HMDNANUIVKTBKV-IBGZPJMESA-N	0	1	441.871	3.770	50	5		IHBAMN
COc1cc(-c2nnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)cc(OC)c1OC	ZINC000009274723	569518193	/nfs/dbraw/zinc/51/81/93/569518193.db2.gz	LUCKBPFRJRFCIA-UHFFFAOYSA-N	0	1	434.792	3.576	50	5		IHBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccc(F)cc1	ZINC000008974496	132299265	/nfs/dbraw/zinc/29/92/65/132299265.db2.gz	ZIEYAEJTWWFULE-XMSQKQJNSA-N	0	1	438.415	3.759	50	5		IHBAMN
COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@@H]3c3ccc([N+](=O)[O-])cc3)c2c1	ZINC000013569972	556697905	/nfs/dbraw/zinc/69/79/05/556697905.db2.gz	LCCWCAXUTSVEAM-QFIPXVFZSA-N	0	1	431.452	3.904	50	5		IHBAMN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1NC[C@H]1CCCO1	ZINC000023743943	557372579	/nfs/dbraw/zinc/37/25/79/557372579.db2.gz	DPDBALVSLIUWLD-GFCCVEGCSA-N	0	1	443.428	3.588	50	5		IHBAMN
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1	ZINC000008684038	562962076	/nfs/dbraw/zinc/96/20/76/562962076.db2.gz	MQSPQRUFWOKPAZ-UHFFFAOYSA-N	0	1	441.465	3.965	50	5	aggregator	IHBAMN
CCOC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000001301747	568778960	/nfs/dbraw/zinc/77/89/60/568778960.db2.gz	SKGFYHBUPCKPHJ-MRXNPFEDSA-N	0	1	447.241	3.820	50	5		IHBAMN
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C	ZINC000009315597	569522192	/nfs/dbraw/zinc/52/21/92/569522192.db2.gz	PTXOEICKBVYVPN-UHFFFAOYSA-N	0	1	441.465	3.965	50	5		IHBAMN
O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21	ZINC000009569384	132234809	/nfs/dbraw/zinc/23/48/09/132234809.db2.gz	XTTYABRTGKCSLH-UHFFFAOYSA-N	0	1	427.438	3.582	50	5		IHBAMN
COc1ccccc1Nc1nc(NC[C@H](c2ccco2)N2CCCC2)nc(N)c1[N+](=O)[O-]	ZINC000035681903	524649788	/nfs/dbraw/zinc/64/97/88/524649788.db2.gz	BTVBDPANZYBMPH-OAHLLOKOSA-N	0	1	439.476	3.561	50	5		IHBAMN
CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1	ZINC000012630253	525265571	/nfs/dbraw/zinc/26/55/71/525265571.db2.gz	PWLNURZZSIKGEE-UHFFFAOYSA-N	0	1	447.494	3.543	50	5		IHBAMN
CCc1nc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)sc1C	ZINC000032936064	556678052	/nfs/dbraw/zinc/67/80/52/556678052.db2.gz	NTFZNHQROHHLAQ-UHFFFAOYSA-N	0	1	446.510	3.975	50	5		IHBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1	ZINC000009714640	562975921	/nfs/dbraw/zinc/97/59/21/562975921.db2.gz	GBDYHUYEHJPRCB-UHFFFAOYSA-N	0	1	439.497	3.761	50	5		IHBAMN
CC(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@@H]12	ZINC000169677308	568989743	/nfs/dbraw/zinc/98/97/43/568989743.db2.gz	JXVQTFCFHGFBLA-VWNXMTODSA-N	0	1	436.556	3.620	50	5		IHBAMN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc([N+](=O)[O-])c1O	ZINC000037342275	569160012	/nfs/dbraw/zinc/16/00/12/569160012.db2.gz	DBKCLJXIGNPYIN-CXUHLZMHSA-N	0	1	445.409	3.844	50	5		IHBAMN
O=C(CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000097021889	569402796	/nfs/dbraw/zinc/40/27/96/569402796.db2.gz	QXDZDCALUJFIIQ-KRWDZBQOSA-N	0	1	426.864	3.809	50	5		IHBAMN
O=C(CN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000097021889	569402797	/nfs/dbraw/zinc/40/27/97/569402797.db2.gz	QXDZDCALUJFIIQ-KRWDZBQOSA-N	0	1	426.864	3.809	50	5		IHBAMN
Cc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1C	ZINC000002913769	569424948	/nfs/dbraw/zinc/42/49/48/569424948.db2.gz	NVKGEHVVPMBNDW-UHFFFAOYSA-N	0	1	435.465	3.609	50	5		IHBAMN
O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H](c4nc(-c5cccc(F)c5)no4)C3)n2)cc1	ZINC000058161892	569449280	/nfs/dbraw/zinc/44/92/80/569449280.db2.gz	ICXKTDGZXGQMGA-KRWDZBQOSA-N	0	1	449.446	3.880	50	5		IHBAMN
CCOc1ccc2nc(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)[nH]c2c1	ZINC000009654484	569556592	/nfs/dbraw/zinc/55/65/92/569556592.db2.gz	HBAHWVXEBRDXAN-UHFFFAOYSA-N	0	1	444.469	3.762	50	5		IHBAMN
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000017885737	557126841	/nfs/dbraw/zinc/12/68/41/557126841.db2.gz	KQVZEZIPDVBIAL-BDTNDASRSA-N	0	1	429.432	3.954	50	5		IHBAMN
CN(C)CCN1C(=O)c2oc3c4ccccc4ccc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000011614626	557210748	/nfs/dbraw/zinc/21/07/48/557210748.db2.gz	UFXUBPUQNXRGCO-NRFANRHFSA-N	0	1	443.459	3.961	50	5		IHBAMN
O=C1C2=C(c3ccc([N+](=O)[O-])cc3)NN(c3ccccc3)[C@@H]2C(=O)N1c1cccc(F)c1	ZINC000103622469	557439457	/nfs/dbraw/zinc/43/94/57/557439457.db2.gz	ITTYFZLFRMYERU-FPOVZHCZSA-N	0	1	430.395	3.516	50	5		IHBAMN
COc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)[nH]c2c1	ZINC000016044505	568868700	/nfs/dbraw/zinc/86/87/00/568868700.db2.gz	WOHGJWTYZIFTHW-UHFFFAOYSA-N	0	1	437.275	3.973	50	5		IHBAMN
CC(C)[C@H](NC[C@@H](O)COCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000036160371	568967456	/nfs/dbraw/zinc/96/74/56/568967456.db2.gz	YYMADTVONDUUSN-UXHICEINSA-N	0	1	426.473	3.509	50	5		IHBAMN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCCCN1CCCC1=O)c1ccccc1	ZINC000009283082	569518767	/nfs/dbraw/zinc/51/87/67/569518767.db2.gz	NHTHFYGGSRXLBL-FQEVSTJZSA-N	0	1	430.892	3.530	50	5		IHBAMN
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-]	ZINC000009467416	569538377	/nfs/dbraw/zinc/53/83/77/569538377.db2.gz	JCXKXWZVAAUOBH-UHFFFAOYSA-N	0	1	441.465	3.965	50	5		IHBAMN
CC(C)(Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)Nc1cccc(-c2nnc[nH]2)c1	ZINC000225803821	569408982	/nfs/dbraw/zinc/40/89/82/569408982.db2.gz	JBCGEIRIWWWESY-UHFFFAOYSA-N	0	1	445.277	3.972	50	5		IHBAMN
COc1cccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000101155888	557257169	/nfs/dbraw/zinc/25/71/69/557257169.db2.gz	MOSFIMPGJSYNDM-VSKRKVRLSA-N	0	1	445.431	3.655	50	5		IHBAMN
CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)n1	ZINC000014152388	557310092	/nfs/dbraw/zinc/31/00/92/557310092.db2.gz	DLEBPQFTQNASIE-UHFFFAOYSA-N	0	1	429.458	3.518	50	5		IHBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1	ZINC000016310640	568876698	/nfs/dbraw/zinc/87/66/98/568876698.db2.gz	KHIHOZBCOXWYSJ-UHFFFAOYSA-N	0	1	441.465	3.965	50	5		IHBAMN
COc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000089618767	569159971	/nfs/dbraw/zinc/15/99/71/569159971.db2.gz	MGNYIZQGXNUSCJ-UHFFFAOYSA-N	0	1	441.465	3.965	50	5		IHBAMN
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000003569873	569454196	/nfs/dbraw/zinc/45/41/96/569454196.db2.gz	NPNGULVQGUDMDG-UHFFFAOYSA-N	0	1	445.428	3.796	50	5		IHBAMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)ccc1Cl	ZINC000008867910	569480325	/nfs/dbraw/zinc/48/03/25/569480325.db2.gz	HXGMTZWMLHUKLN-UHFFFAOYSA-N	0	1	439.965	3.523	50	5		IHBAMN
CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1	ZINC000040146703	569492305	/nfs/dbraw/zinc/49/23/05/569492305.db2.gz	MOWKQXFGUHJCCH-UHFFFAOYSA-N	0	1	443.275	3.725	50	5		IHBAMN
COc1ccc2nc(Sc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])[nH]c2c1	ZINC000012560078	525683008	/nfs/dbraw/zinc/68/30/08/525683008.db2.gz	QYIXPDOMRCQJFJ-UHFFFAOYSA-N	0	1	448.526	3.806	50	5		IHBAMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1nc(-c2ccccc2)n[nH]1	ZINC000023176952	557035125	/nfs/dbraw/zinc/03/51/25/557035125.db2.gz	XWYYNQHMHKGDNZ-UHFFFAOYSA-N	0	1	445.526	3.706	50	5		IHBAMN
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000000888072	557851626	/nfs/dbraw/zinc/85/16/26/557851626.db2.gz	AVCGXLUUTFKNMR-UHFFFAOYSA-N	0	1	427.438	3.657	50	5		IHBAMN
COc1ccccc1[C@H](CNc1nc(N)c([N+](=O)[O-])c(Nc2ccc(C)cc2)n1)N(C)C	ZINC000170621888	569147752	/nfs/dbraw/zinc/14/77/52/569147752.db2.gz	PXFTWWIUDGPWRJ-KRWDZBQOSA-N	0	1	437.504	3.742	50	5		IHBAMN
C[C@@H](Nc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000019418212	569319430	/nfs/dbraw/zinc/31/94/30/569319430.db2.gz	UFWACGHASKRRJQ-OQOKOFKUSA-N	0	1	428.577	3.726	50	5		IHBAMN
CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1	ZINC000020029626	569332440	/nfs/dbraw/zinc/33/24/40/569332440.db2.gz	CKGHQDIONKMHTB-MRXNPFEDSA-N	0	1	447.241	3.820	50	5		IHBAMN
COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000008862404	569480153	/nfs/dbraw/zinc/48/01/53/569480153.db2.gz	CVHWUXFFEKPCNY-UHFFFAOYSA-N	0	1	441.465	3.965	50	5		IHBAMN
COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000009511935	569542889	/nfs/dbraw/zinc/54/28/89/569542889.db2.gz	JOHROTXBLQPDTG-UHFFFAOYSA-N	0	1	427.438	3.657	50	5		IHBAMN
COc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000009934926	569573803	/nfs/dbraw/zinc/57/38/03/569573803.db2.gz	CKDBEBGMZGCAQR-NRFANRHFSA-N	0	1	444.451	3.628	50	5		IHBAMN
COc1ccccc1Nc1nc(NC[C@@H](c2ccco2)N2CCCC2)nc(N)c1[N+](=O)[O-]	ZINC000035681902	524651391	/nfs/dbraw/zinc/65/13/91/524651391.db2.gz	BTVBDPANZYBMPH-HNNXBMFYSA-N	0	1	439.476	3.561	50	5		IHBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000230054232	569419523	/nfs/dbraw/zinc/41/95/23/569419523.db2.gz	QHIVKBRVVQMSNR-LAUBAEHRSA-N	0	1	440.843	3.883	50	5		IHBAMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC[C@@H](c1ccco1)N1CCCCC1	ZINC000009119613	569503603	/nfs/dbraw/zinc/50/36/03/569503603.db2.gz	NSWLXIPAZNVHTI-FQEVSTJZSA-N	0	1	448.545	3.611	50	5		IHBAMN
O=C(CSc1n[nH]c2nc3nc4ccccc4c-3nn21)Nc1cccc(C(F)(F)F)c1	ZINC000035224145	569586745	/nfs/dbraw/zinc/58/67/45/569586745.db2.gz	DXIYJGVWBDJYJO-UHFFFAOYSA-N	0	1	443.414	3.903	50	5		IHBAMN
COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1[N+](=O)[O-]	ZINC000012552597	525077505	/nfs/dbraw/zinc/07/75/05/525077505.db2.gz	YHJJKKJFVNRFFW-UHFFFAOYSA-N	0	1	442.375	3.609	50	5		IHBAMN
COc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC	ZINC000024978292	557339988	/nfs/dbraw/zinc/33/99/88/557339988.db2.gz	MYOBPEJFKIRLLZ-UHFFFAOYSA-N	0	1	433.892	3.660	50	5		IHBAMN
CC(C)n1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000020677608	519920985	/nfs/dbraw/zinc/92/09/85/519920985.db2.gz	BGPKTWNQNGDBSG-UHFFFAOYSA-N	0	1	436.516	3.525	50	5		IHBAMN
COc1cccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000017750194	557115781	/nfs/dbraw/zinc/11/57/81/557115781.db2.gz	MOSFIMPGJSYNDM-BDTNDASRSA-N	0	1	445.431	3.655	50	5		IHBAMN
Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c(S(=O)(=O)c2ccccc2)c1	ZINC000001197027	568736559	/nfs/dbraw/zinc/73/65/59/568736559.db2.gz	JUWKUKCVGVDZIW-UHFFFAOYSA-N	0	1	446.506	3.845	50	5		IHBAMN
CC(C)[C@H](NC[C@H](O)COCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000036160364	568967502	/nfs/dbraw/zinc/96/75/02/568967502.db2.gz	YYMADTVONDUUSN-PMACEKPBSA-N	0	1	426.473	3.509	50	5		IHBAMN
O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CCCN(Cc2ccc(Cl)cc2)CC1	ZINC000078903676	569320246	/nfs/dbraw/zinc/32/02/46/569320246.db2.gz	DFEIHXZWOCPLQA-UHFFFAOYSA-N	0	1	430.892	3.917	50	5		IHBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000230078184	569433362	/nfs/dbraw/zinc/43/33/62/569433362.db2.gz	ZIPJFMVKSGJOAC-LAUBAEHRSA-N	0	1	440.843	3.883	50	5		IHBAMN
COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000009511938	569542878	/nfs/dbraw/zinc/54/28/78/569542878.db2.gz	HKEYLGLREALGQQ-UHFFFAOYSA-N	0	1	427.438	3.657	50	5		IHBAMN
Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)o1	ZINC000009546083	569546215	/nfs/dbraw/zinc/54/62/15/569546215.db2.gz	VIVJNIGGHGOZKS-UHFFFAOYSA-N	0	1	443.481	3.878	50	5		IHBAMN
CCc1c(C(=O)N(C)Cc2nc(C)c(-c3cccc([N+](=O)[O-])c3)[nH]2)cnn1-c1ccccn1	ZINC000089282493	568916351	/nfs/dbraw/zinc/91/63/51/568916351.db2.gz	CECHHONXBIDTGT-UHFFFAOYSA-N	0	1	445.483	3.709	50	5		IHBAMN
Cc1cc(N2CCOCC2)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000328594261	569317645	/nfs/dbraw/zinc/31/76/45/569317645.db2.gz	KTKJNCUFTMJBLF-UHFFFAOYSA-N	0	1	446.312	3.847	50	5		IHBAMN
COc1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1OCc1ccc([N+](=O)[O-])cc1	ZINC000019355957	569318903	/nfs/dbraw/zinc/31/89/03/569318903.db2.gz	UIWGRPNPJUZXRY-OAQYLSRUSA-N	0	1	444.451	3.819	50	5		IHBAMN